#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wek s LYS 3 N 0.00 4.44 0.71 -0.52 2.20 -1.26 -5.02 119.74 120.29 1wek s LYS 3 Ca 0.00 2.00 -0.06 0.00 -0.36 0.00 0.00 55.97 57.55 1wek s LYS 3 Cb 0.00 -3.19 0.08 0.00 -1.51 0.00 0.00 37.83 33.21 1wek s LYS 3 CO 0.00 -0.16 1.01 0.15 -0.36 0.00 0.00 175.35 175.99 1wek s LYS 4 N -0.46 2.02 0.74 4.03 1.02 -1.26 -5.03 119.74 120.79 1wek s LYS 4 Ca 0.54 -0.46 -0.15 0.00 0.02 0.00 0.00 55.97 55.91 1wek s LYS 4 Cb -0.35 -2.20 0.04 0.00 -0.52 0.00 0.00 37.83 34.80 1wek s LYS 4 CO 0.40 -1.31 1.25 -2.14 -0.92 0.00 0.00 175.35 172.62 1wek s PRO 5 N -5.23 2.00 0.13 -1.68 0.02 -1.26 -4.77 135.00 124.21 1wek s PRO 5 Ca 0.62 1.90 -0.30 0.00 0.02 0.00 0.00 61.00 63.24 1wek s PRO 5 Cb -0.09 -1.80 -0.09 0.00 0.02 0.00 0.00 34.50 32.54 1wek s PRO 5 CO 0.45 -1.98 1.50 1.25 -0.33 0.00 0.00 177.00 177.89 1wek h LEU 6 N -0.30 -1.81 -0.86 -5.54 5.85 -1.98 -2.13 115.31 108.54 1wek h LEU 6 Ca -0.48 0.25 0.14 0.00 0.84 0.00 0.00 57.88 58.62 1wek h LEU 6 Cb 1.32 0.76 -0.09 0.00 0.37 0.00 0.00 40.66 43.02 1wek h LEU 6 CO 0.49 -0.32 0.46 0.40 -0.34 0.00 0.00 178.44 179.13 1wek h ILE 7 N -0.24 0.78 0.00 4.05 2.04 -1.97 -0.99 117.51 121.17 1wek h ILE 7 Ca 0.09 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1wek h ILE 7 Cb 0.49 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1wek h ILE 7 CO -0.65 0.12 0.00 0.47 0.00 0.00 0.00 178.15 178.09 1wek n ASP 8 N -4.83 0.59 0.00 1.72 8.00 -0.83 -2.02 116.55 119.18 1wek n ASP 8 Ca 0.17 0.66 0.15 0.00 0.71 0.00 0.00 54.79 56.48 1wek n ASP 8 Cb 0.40 -0.78 0.81 0.00 -0.02 0.00 0.00 41.12 41.53 1wek n ASP 8 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wek n GLN 9 N -2.17 0.62 -3.41 -1.24 6.02 -0.37 -4.69 117.38 112.14 1wek n GLN 9 Ca 0.02 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.64 1wek n GLN 9 Cb 0.20 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.90 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 -2.37 4.25 -0.01 1.08 1.43 -0.86 -5.06 118.68 117.13 1wek s LEU 10 Ca 0.35 0.66 0.03 0.00 -1.03 0.00 0.00 54.13 54.14 1wek s LEU 10 Cb 0.20 -2.55 -0.01 0.00 0.03 0.00 0.00 46.19 43.87 1wek s LEU 10 CO 0.42 0.03 -0.11 -1.00 0.23 0.00 0.00 176.35 175.92 1wek s HIS 11 N 0.65 1.00 0.64 0.29 3.76 -1.26 -5.03 115.29 115.33 1wek s HIS 11 Ca 0.21 -0.20 0.32 0.00 -0.15 0.00 0.00 55.06 55.24 1wek s HIS 11 Cb -0.14 -0.65 1.72 0.00 1.11 0.00 0.00 32.58 34.62 1wek s HIS 11 CO 0.07 -0.03 2.02 1.12 -0.85 0.00 0.00 174.74 177.08 1wek h HIS 12 N 5.94 0.00 -0.14 1.40 2.07 -2.00 -0.00 115.15 122.41 1wek h HIS 12 Ca -0.32 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.03 1wek h HIS 12 Cb 1.17 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.16 1wek h HIS 12 CO 0.41 0.00 -0.56 1.49 -3.07 0.00 0.00 177.93 176.20 1wek h GLU 13 N 0.00 0.63 -3.63 5.12 4.57 -2.02 -3.37 114.58 115.88 1wek h GLU 13 Ca 0.06 -0.49 -0.71 0.00 -1.18 0.00 0.00 59.36 57.04 1wek h GLU 13 Cb 0.62 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.25 1wek h GLU 13 CO -0.00 1.11 3.07 -3.47 -1.18 0.00 0.00 179.01 178.53 1wek n ASP 14 N -4.15 5.33 -0.18 1.04 2.03 -0.02 -4.75 116.55 115.85 1wek n ASP 14 Ca -0.07 -2.85 -0.08 0.00 0.52 0.00 0.00 54.79 52.31 1wek n ASP 14 Cb 0.63 -1.59 0.05 0.00 -0.72 0.00 0.00 41.12 39.48 1wek n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1wek h SER 15 N 5.67 0.98 -0.14 1.67 0.02 -1.75 -3.11 113.55 116.89 1wek h SER 15 Ca 0.61 -0.29 0.03 0.00 -0.84 0.00 0.00 61.79 61.30 1wek h SER 15 Cb 0.54 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1wek h SER 15 CO 1.80 1.06 0.09 -0.50 -1.14 0.00 0.00 176.83 178.15 1wek h TRP 16 N 0.90 0.07 -0.35 3.45 4.06 -1.96 -0.61 115.95 121.50 1wek h TRP 16 Ca 0.15 0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.21 1wek h TRP 16 Cb 0.59 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.72 1wek h TRP 16 CO 0.04 0.04 0.26 -0.09 -3.56 0.00 0.00 178.44 175.12 1wek h ARG 17 N 0.07 0.00 -0.07 0.49 2.43 -1.95 -1.28 114.38 114.07 1wek h ARG 17 Ca 0.06 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1wek h ARG 17 Cb 0.15 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1wek h ARG 17 CO -0.01 0.00 0.08 -0.07 -1.51 0.00 0.00 179.97 178.46 1wek h LEU 18 N 0.00 0.00 -1.34 3.80 3.38 -1.27 -0.86 115.31 119.02 1wek h LEU 18 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1wek h LEU 18 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1wek h LEU 18 CO -0.00 0.00 0.00 -0.26 0.09 0.00 0.00 178.44 178.27 1wek h PHE 19 N 0.00 0.00 0.00 1.13 -1.00 -1.40 -1.65 116.94 114.02 1wek h PHE 19 Ca 0.03 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.73 1wek h PHE 19 Cb 0.18 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.73 1wek h PHE 19 CO 0.00 0.00 -0.41 0.00 -1.61 0.00 0.00 178.31 176.29 1wek h ARG 20 N 0.00 0.00 -0.01 1.51 3.08 -1.32 -1.31 114.38 116.34 1wek h ARG 20 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1wek h ARG 20 Cb 0.36 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.42 1wek h ARG 20 CO 0.00 0.41 -0.40 0.82 -1.07 0.00 0.00 179.97 179.74 1wek h ILE 21 N 0.00 1.49 -0.80 2.04 2.04 -1.45 -2.92 117.51 117.91 1wek h ILE 21 Ca -0.00 -1.99 -0.00 0.00 1.00 0.00 0.00 64.86 63.87 1wek h ILE 21 Cb 0.82 2.67 -0.04 0.00 -0.74 0.00 0.00 36.82 39.53 1wek h ILE 21 CO 0.05 0.56 0.50 -0.07 0.00 0.00 0.00 178.15 179.19 1wek h LEU 22 N -0.32 0.95 -1.25 1.44 3.38 -1.38 -2.19 115.31 115.94 1wek h LEU 22 Ca -0.05 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1wek h LEU 22 Cb 1.13 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1wek h LEU 22 CO 0.08 0.72 -0.31 0.00 0.09 0.00 0.00 178.44 179.01 1wek h ALA 23 N 1.27 1.38 -0.39 1.53 0.00 -1.32 -1.22 119.26 120.51 1wek h ALA 23 Ca 0.29 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1wek h ALA 23 Cb -0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1wek h ALA 23 CO -0.06 0.45 -0.19 1.49 0.00 0.00 0.00 179.25 180.94 1wek h GLU 24 N 0.09 0.75 0.03 0.00 4.81 -1.21 -0.24 114.58 118.82 1wek h GLU 24 Ca 0.01 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1wek h GLU 24 Cb 0.60 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1wek h GLU 24 CO 0.04 0.89 -0.01 0.74 -0.73 0.00 0.00 179.01 179.94 1wek h PHE 25 N 0.67 -0.04 0.05 0.92 -1.00 -0.97 -0.38 116.94 116.19 1wek h PHE 25 Ca 0.10 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.90 1wek h PHE 25 Cb 0.68 0.01 -0.05 0.00 3.61 0.00 0.00 35.95 40.20 1wek h PHE 25 CO 0.03 0.33 -0.46 0.28 -1.61 0.00 0.00 178.31 176.88 1wek h VAL 26 N -0.42 0.09 -0.49 -0.55 2.07 -1.05 0.26 116.25 116.16 1wek h VAL 26 Ca -0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1wek h VAL 26 Cb 0.39 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.19 1wek h VAL 26 CO 0.01 0.00 0.14 -0.33 0.02 0.00 0.00 177.57 177.41 1wek h GLU 27 N -0.65 0.29 -0.80 1.57 5.08 -1.07 -1.86 114.58 117.14 1wek h GLU 27 Ca 0.03 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1wek h GLU 27 Cb 0.70 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 1wek h GLU 27 CO -0.30 0.19 0.50 0.78 -1.00 0.00 0.00 179.01 179.18 1wek h GLY 28 N 0.30 1.17 1.27 -3.84 0.00 -0.45 -0.93 103.07 100.59 1wek h GLY 28 Ca 0.24 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 1wek h GLY 28 CO -0.28 0.31 -0.07 0.74 0.00 0.00 0.00 176.54 177.24 1wek h PHE 29 N 0.97 0.95 0.01 5.60 0.04 -0.51 -1.64 116.94 122.35 1wek h PHE 29 Ca 0.33 -0.17 -0.00 0.00 2.80 0.00 0.00 57.97 60.93 1wek h PHE 29 Cb 0.05 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 37.96 1wek h PHE 29 CO -0.03 0.90 -0.01 0.93 -0.60 0.00 0.00 178.31 179.50 1wek h GLU 30 N 0.79 -0.02 -0.21 1.51 5.08 -0.85 -0.33 114.58 120.55 1wek h GLU 30 Ca 0.14 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1wek h GLU 30 Cb 0.57 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1wek h GLU 30 CO 0.04 0.36 -0.02 1.15 -1.00 0.00 0.00 179.01 179.53 1wek h THR 31 N -0.40 0.82 0.06 1.13 2.02 -1.12 -2.29 112.91 113.15 1wek h THR 31 Ca -0.00 -0.01 -0.25 0.00 0.77 0.00 0.00 66.41 66.92 1wek h THR 31 Cb 0.39 0.79 0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1wek h THR 31 CO 0.00 0.01 -1.08 -0.07 0.37 0.00 0.00 175.52 174.75 1wek h LEU 32 N 0.03 0.53 -1.32 2.58 3.38 -1.35 -3.29 115.31 115.87 1wek h LEU 32 Ca 0.10 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 1wek h LEU 32 Cb 0.14 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1wek h LEU 32 CO -0.19 1.31 -0.14 0.77 0.09 0.00 0.00 178.44 180.28 1wek h SER 33 N 0.18 0.00 1.23 -0.43 4.64 -0.99 -2.74 113.55 115.44 1wek h SER 33 Ca -0.11 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.13 1wek h SER 33 Cb 1.75 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.83 1wek h SER 33 CO 0.19 0.14 -0.36 -0.08 -0.87 0.00 0.00 176.83 175.85 1wek h GLU 34 N 0.00 0.00 -6.99 4.77 4.81 -1.48 -3.44 114.58 112.24 1wek h GLU 34 Ca -0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.70 1wek h GLU 34 Cb 0.62 0.00 0.09 0.00 0.63 0.00 0.00 28.75 30.10 1wek h GLU 34 CO 0.02 0.36 0.58 -0.51 -0.73 0.00 0.00 179.01 178.72 1wek s LEU 35 N -6.65 4.04 -0.05 1.64 1.43 -1.03 -4.95 118.68 113.11 1wek s LEU 35 Ca 0.02 2.60 0.12 0.00 -1.03 0.00 0.00 54.13 55.85 1wek s LEU 35 Cb 0.09 -4.11 -0.19 0.00 0.03 0.00 0.00 46.19 42.01 1wek s LEU 35 CO 0.69 -1.10 0.21 0.00 0.23 0.00 0.00 176.35 176.39 1wek n GLN 36 N -0.41 0.92 -1.79 1.70 6.02 -1.26 -4.99 117.38 117.57 1wek n GLN 36 Ca 0.07 -0.08 -0.36 0.00 -0.01 0.00 0.00 57.00 56.61 1wek n GLN 36 Cb 0.45 -1.31 0.06 0.00 1.02 0.00 0.00 30.24 30.46 1wek n GLN 36 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1wek s VAL 37 N -2.71 2.34 0.17 5.09 -7.23 -1.26 -4.91 120.40 111.89 1wek s VAL 37 Ca -0.05 0.20 -0.31 0.00 -1.81 0.00 0.00 61.98 60.02 1wek s VAL 37 Cb 0.07 -3.01 -0.09 0.00 0.56 0.00 0.00 36.38 33.91 1wek s VAL 37 CO 0.53 -0.06 1.36 -2.84 -0.31 0.00 0.00 175.10 173.79 1wek s PRO 38 N -3.47 4.34 -0.30 4.82 0.02 -1.26 -4.70 135.00 134.46 1wek s PRO 38 Ca 0.79 2.10 -0.12 0.00 0.02 0.00 0.00 61.00 63.79 1wek s PRO 38 Cb -0.33 -3.20 -0.04 0.00 0.02 0.00 0.00 34.50 30.95 1wek s PRO 38 CO 0.38 -0.35 0.20 -0.51 -0.33 0.00 0.00 177.00 176.40 1wek s LEU 39 N 0.34 4.18 -0.15 -5.54 1.43 -1.26 0.12 118.68 117.79 1wek s LEU 39 Ca 0.60 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.52 1wek s LEU 39 Cb -0.37 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.70 1wek s LEU 39 CO 0.36 -0.11 -0.06 -0.69 0.23 0.00 0.00 176.35 176.07 1wek s VAL 40 N 1.74 3.60 0.05 -1.59 1.01 0.22 -1.12 120.40 124.32 1wek s VAL 40 Ca 0.07 -0.46 -0.14 0.00 0.00 0.00 0.00 61.98 61.44 1wek s VAL 40 Cb -0.16 -2.57 -0.06 0.00 0.00 0.00 0.00 36.38 33.59 1wek s VAL 40 CO 0.11 0.49 0.45 -0.44 0.00 0.00 0.00 175.10 175.71 1wek s SER 41 N 0.47 6.82 -0.02 3.32 0.01 -0.89 -0.33 113.70 123.09 1wek s SER 41 Ca -0.05 0.99 0.01 0.00 1.31 0.00 0.00 55.95 58.21 1wek s SER 41 Cb -0.15 -2.26 0.01 0.00 0.21 0.00 0.00 66.02 63.83 1wek s SER 41 CO 0.03 0.26 -0.03 -0.69 0.41 0.00 0.00 173.24 173.22 1wek s VAL 42 N -1.20 0.28 0.05 3.43 1.01 -0.08 -0.26 120.40 123.63 1wek s VAL 42 Ca 0.28 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.23 1wek s VAL 42 Cb -0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 1wek s VAL 42 CO 0.16 0.12 -0.10 0.12 0.00 0.00 0.00 175.10 175.40 1wek s PHE 43 N 0.41 0.87 0.03 5.22 5.36 -0.67 -4.36 117.98 124.83 1wek s PHE 43 Ca -0.04 -0.44 -0.28 0.00 -0.96 0.00 0.00 56.93 55.21 1wek s PHE 43 Cb -0.07 -0.51 0.10 0.00 -0.34 0.00 0.00 43.02 42.20 1wek s PHE 43 CO -0.01 -0.02 1.22 0.20 -1.46 0.00 0.00 175.22 175.15 1wek s GLY 44 N -1.45 -0.28 0.17 13.12 0.00 -1.26 -1.58 107.32 116.04 1wek s GLY 44 Ca -0.05 0.38 -0.32 0.00 0.00 0.00 0.00 44.72 44.72 1wek s GLY 44 CO 0.01 1.45 1.03 -1.26 0.00 0.00 0.00 173.10 174.33 1wek n SER 45 N -0.68 0.75 -0.62 1.64 2.88 -0.59 -4.74 113.62 112.27 1wek n SER 45 Ca -0.05 1.15 0.13 0.00 -1.33 0.00 0.00 58.87 58.77 1wek n SER 45 Cb 0.61 -1.14 0.41 0.00 -0.75 0.00 0.00 64.21 63.34 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 1.13 2.54 0.24 -1.46 0.00 -1.26 -1.02 120.51 120.68 1wek n ALA 46 Ca 0.16 -0.52 0.04 0.00 0.00 0.00 0.00 53.44 53.11 1wek n ALA 46 Cb 0.23 -1.07 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 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 0.49 3.21 -2.70 0.00 1.74 -1.26 -3.72 116.66 114.42 1wek n ARG 47 Ca 0.18 -0.02 -0.43 0.00 -0.77 0.00 0.00 57.85 56.81 1wek n ARG 47 Cb 0.42 -0.96 -0.03 0.00 -1.02 0.00 0.00 32.46 30.87 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 -1.96 2.76 0.00 -1.55 2.99 -1.26 -4.92 117.98 114.03 1wek s PHE 48 Ca 0.01 0.35 0.00 0.00 0.00 0.00 0.00 56.93 57.29 1wek s PHE 48 Cb 0.05 -4.27 0.00 0.00 0.00 0.00 0.00 43.02 38.81 1wek s PHE 48 CO 0.31 -1.36 0.00 0.41 -0.00 0.00 0.00 175.22 174.58 1wek n GLY 49 N 5.01 1.07 3.63 4.36 0.00 -1.26 -2.60 105.19 115.40 1wek n GLY 49 Ca 0.07 -1.97 -0.49 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.60 1.61 0.00 1.61 4.71 -1.26 -1.66 120.64 125.04 1wek n GLU 50 Ca 0.00 0.58 0.00 0.00 -0.01 0.00 0.00 57.16 57.73 1wek n GLU 50 Cb 0.00 -2.28 0.00 0.00 -1.01 0.00 0.00 31.44 28.15 1wek n GLU 50 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1wek n GLY 51 N 2.93 1.68 3.77 0.62 0.00 -1.26 -5.05 105.19 107.88 1wek n GLY 51 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.35 3.79 0.23 1.61 5.04 -0.67 -4.91 115.29 118.04 1wek s HIS 52 Ca 0.00 1.83 -0.08 0.00 -1.54 0.00 0.00 55.06 55.27 1wek s HIS 52 Cb 0.00 -2.99 0.38 0.00 0.04 0.00 0.00 32.58 30.01 1wek s HIS 52 CO 0.00 0.22 1.67 -1.35 -2.34 0.00 0.00 174.74 172.94 1wek h PRO 53 N 3.62 0.17 -0.18 2.88 0.11 -1.96 0.18 132.00 136.81 1wek h PRO 53 Ca -0.46 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1wek h PRO 53 Cb 1.20 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1wek h PRO 53 CO 0.66 0.11 -0.06 0.00 -0.21 0.00 0.00 178.00 178.50 1wek h ALA 54 N 1.60 1.57 -0.12 -0.75 0.00 -1.93 -0.51 119.26 119.12 1wek h ALA 54 Ca 0.37 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1wek h ALA 54 Cb 0.62 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1wek h ALA 54 CO -0.54 0.31 -0.11 -0.92 0.00 0.00 0.00 179.25 178.00 1wek h TYR 55 N 0.26 0.33 -0.72 0.00 3.20 -1.26 -0.12 116.97 118.67 1wek h TYR 55 Ca 0.06 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 1wek h TYR 55 Cb 0.28 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 1wek h TYR 55 CO 0.00 0.69 0.43 0.93 -1.64 0.00 0.00 178.16 178.57 1wek h GLU 56 N -0.11 0.97 -0.61 1.82 5.08 -0.95 0.40 114.58 121.17 1wek h GLU 56 Ca 0.02 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1wek h GLU 56 Cb 0.63 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1wek h GLU 56 CO 0.03 0.69 0.12 0.00 -1.00 0.00 0.00 179.01 178.84 1wek h ALA 57 N 1.23 0.81 -0.88 3.43 0.00 -1.07 -1.65 119.26 121.14 1wek h ALA 57 Ca 0.26 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1wek h ALA 57 Cb -0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1wek h ALA 57 CO -0.05 0.55 0.58 0.78 0.00 0.00 0.00 179.25 181.11 1wek h GLY 58 N 0.91 1.24 0.89 0.00 0.00 -0.31 -0.63 103.07 105.17 1wek h GLY 58 Ca 0.19 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1wek h GLY 58 CO 0.01 0.44 0.08 -1.82 0.00 0.00 0.00 176.54 175.25 1wek h TYR 59 N 1.18 0.44 -0.68 5.60 5.03 -0.55 -1.74 116.97 126.25 1wek h TYR 59 Ca 0.32 -0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.57 1wek h TYR 59 Cb -0.12 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.00 1wek h TYR 59 CO -0.01 0.48 0.33 0.00 -1.32 0.00 0.00 178.16 177.64 1wek h ARG 60 N 0.27 0.96 -0.01 1.82 3.08 -0.97 -2.13 114.38 117.40 1wek h ARG 60 Ca 0.09 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1wek h ARG 60 Cb 0.25 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1wek h ARG 60 CO -0.00 0.73 0.00 1.25 -1.07 0.00 0.00 179.97 180.88 1wek h LEU 61 N 0.96 0.02 -0.65 3.04 5.85 -0.92 -0.94 115.31 122.67 1wek h LEU 61 Ca 0.24 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1wek h LEU 61 Cb 0.09 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1wek h LEU 61 CO -0.03 0.29 0.37 1.23 -0.34 0.00 0.00 178.44 179.95 1wek h GLY 62 N -0.24 0.94 1.00 3.75 0.00 -1.18 0.29 103.07 107.62 1wek h GLY 62 Ca 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1wek h GLY 62 CO 0.00 0.18 -0.22 -0.09 0.00 0.00 0.00 176.54 176.41 1wek h ARG 63 N 0.70 -0.58 -0.70 4.80 2.43 -1.28 -1.12 114.38 118.62 1wek h ARG 63 Ca 0.28 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.57 1wek h ARG 63 Cb 0.14 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.76 1wek h ARG 63 CO -0.16 -0.38 0.37 0.00 -1.51 0.00 0.00 179.97 178.29 1wek h ALA 64 N -0.06 0.95 -0.34 2.80 0.00 -0.86 0.22 119.26 121.97 1wek h ALA 64 Ca -0.06 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1wek h ALA 64 Cb 0.47 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1wek h ALA 64 CO 0.10 0.01 0.17 -0.07 0.00 0.00 0.00 179.25 179.46 1wek h LEU 65 N 0.65 0.44 0.13 0.00 3.38 -0.79 -1.24 115.31 117.88 1wek h LEU 65 Ca 0.33 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1wek h LEU 65 Cb 0.28 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1wek h LEU 65 CO -0.23 0.44 -0.06 0.00 0.09 0.00 0.00 178.44 178.68 1wek h ALA 66 N 1.03 -0.17 -1.03 1.53 0.00 -0.67 -1.37 119.26 118.57 1wek h ALA 66 Ca 0.12 -0.09 0.28 0.00 0.00 0.00 0.00 54.91 55.21 1wek h ALA 66 Cb 0.11 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 1wek h ALA 66 CO -0.02 -0.54 0.70 0.93 0.00 0.00 0.00 179.25 180.33 1wek h GLU 67 N -0.30 0.20 -0.00 0.00 3.07 -0.43 0.24 114.58 117.37 1wek h GLU 67 Ca -0.02 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1wek h GLU 67 Cb 0.24 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1wek h GLU 67 CO 0.03 0.13 -0.09 0.00 -1.40 0.00 0.00 179.01 177.69 1wek n ALA 68 N -2.61 2.71 -0.30 3.43 0.00 -0.48 -4.92 120.51 118.34 1wek n ALA 68 Ca 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1wek n ALA 68 Cb 0.97 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 1.26 0.74 3.93 0.00 0.00 0.85 -5.07 105.19 106.90 1wek n GLY 69 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.33 3.39 0.09 1.61 0.40 -0.58 -4.16 117.98 116.40 1wek s PHE 70 Ca 0.00 0.55 0.05 0.00 -0.60 0.00 0.00 56.93 56.94 1wek s PHE 70 Cb 0.00 -2.36 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1wek s PHE 70 CO 0.00 -0.38 -0.02 0.20 0.70 0.00 0.00 175.22 175.72 1wek s GLY 71 N -4.18 1.90 -0.04 4.36 0.00 0.32 -4.17 107.32 105.52 1wek s GLY 71 Ca 0.48 -1.14 0.03 0.00 0.00 0.00 0.00 44.72 44.09 1wek s GLY 71 CO 0.42 -1.12 -0.10 -1.34 0.00 0.00 0.00 173.10 170.96 1wek s VAL 72 N -1.30 3.42 -0.19 1.40 -7.23 -0.94 -0.61 120.40 114.96 1wek s VAL 72 Ca 0.25 -0.68 0.01 0.00 -1.81 0.00 0.00 61.98 59.75 1wek s VAL 72 Cb -0.12 -2.40 0.04 0.00 0.56 0.00 0.00 36.38 34.46 1wek s VAL 72 CO 0.18 0.53 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.69 1wek s VAL 73 N -0.84 1.67 0.27 1.32 1.01 0.56 -0.60 120.40 123.79 1wek s VAL 73 Ca 0.13 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1wek s VAL 73 Cb -0.11 -1.69 -0.00 0.00 0.00 0.00 0.00 36.38 34.58 1wek s VAL 73 CO 0.03 0.25 0.00 0.35 0.00 0.00 0.00 175.10 175.73 1wek n THR 74 N 4.69 0.00 1.71 3.92 -2.24 -0.64 -0.90 114.28 120.82 1wek n THR 74 Ca -0.15 -1.31 0.15 0.00 -2.27 0.00 0.00 64.05 60.47 1wek n THR 74 Cb 0.47 0.27 0.76 0.00 -2.10 0.00 0.00 70.33 69.73 1wek n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wek n GLY 75 N 1.64 -0.75 2.40 3.38 0.00 -1.26 -0.78 105.19 109.82 1wek n GLY 75 Ca -0.11 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 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 1.12 1.00 0.00 -0.02 0.00 -1.26 -3.70 105.19 102.33 1wek n GLY 76 Ca 0.20 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.32 2.07 0.00 -0.02 0.00 -1.26 -2.38 105.19 102.27 1wek n GLY 77 Ca -0.09 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.87 1wek n GLY 77 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wek n PRO 78 N -0.29 0.25 0.00 1.61 -0.04 -1.26 -2.05 135.00 133.22 1wek n PRO 78 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1wek n PRO 78 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1wek n PRO 78 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wek n GLY 79 N 4.99 0.59 1.97 0.55 0.00 -1.24 -3.08 105.19 108.97 1wek n GLY 79 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1wek n GLY 79 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wek n VAL 80 N 0.00 0.00 0.00 1.61 3.14 -0.19 -1.32 118.33 121.57 1wek n VAL 80 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1wek n VAL 80 Cb 0.00 -0.86 0.00 0.00 -1.06 0.00 0.00 33.84 31.92 1wek n VAL 80 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1wek n GLU 82 N 1.85 0.00 -0.12 1.45 2.13 -0.87 -1.29 120.64 123.78 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 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 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 0.48 -0.11 4.31 0.00 -1.51 0.93 119.26 123.35 1wek h ALA 83 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1wek h ALA 83 Cb 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1wek h ALA 83 CO 0.00 0.16 -0.01 0.28 0.00 0.00 0.00 179.25 179.68 1wek h VAL 84 N 0.44 1.26 -0.84 0.00 2.07 -1.28 0.26 116.25 118.16 1wek h VAL 84 Ca 0.11 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1wek h VAL 84 Cb 0.32 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 1wek h VAL 84 CO 0.00 0.24 0.50 0.78 0.02 0.00 0.00 177.57 179.11 1wek h ASN 85 N -0.08 1.02 -0.14 0.57 2.35 -1.82 -1.90 115.58 115.59 1wek h ASN 85 Ca 0.03 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1wek h ASN 85 Cb 0.38 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1wek h ASN 85 CO 0.01 0.80 0.07 -0.09 -1.65 0.00 0.00 177.43 176.56 1wek h ARG 86 N 1.16 0.20 -0.84 0.81 2.43 -0.55 0.33 114.38 117.91 1wek h ARG 86 Ca 0.30 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.46 1wek h ARG 86 Cb -0.03 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.44 1wek h ARG 86 CO -0.05 0.24 0.55 0.78 -1.51 0.00 0.00 179.97 179.98 1wek h GLY 87 N 0.10 1.20 0.46 2.80 0.00 -0.27 -0.03 103.07 107.33 1wek h GLY 87 Ca 0.05 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 1wek h GLY 87 CO -0.01 0.40 -0.01 0.00 0.00 0.00 0.00 176.54 176.93 1wek h ALA 88 N 1.33 -0.02 -0.51 3.60 0.00 -1.15 -3.03 119.26 119.47 1wek h ALA 88 Ca 0.32 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1wek h ALA 88 Cb -0.08 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.64 1wek h ALA 88 CO -0.09 -0.24 0.04 -0.92 0.00 0.00 0.00 179.25 178.04 1wek h TYR 89 N -0.56 0.04 0.00 0.00 3.20 -0.20 -1.01 116.97 118.43 1wek h TYR 89 Ca -0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1wek h TYR 89 Cb 0.54 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.87 1wek h TYR 89 CO 0.11 -0.08 0.00 0.39 -1.64 0.00 0.00 178.16 176.94 1wek n GLU 90 N -5.19 0.20 -0.08 1.82 1.02 -0.04 -2.20 120.64 116.16 1wek n GLU 90 Ca 0.06 0.31 0.12 0.00 -0.02 0.00 0.00 57.16 57.62 1wek n GLU 90 Cb 0.27 -1.80 0.35 0.00 -0.02 0.00 0.00 31.44 30.24 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 -1.74 2.51 -0.59 0.62 0.00 -0.61 -4.91 120.51 115.79 1wek n ALA 91 Ca 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1wek n ALA 91 Cb 0.31 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 1.22 0.70 3.92 0.00 0.00 -0.94 -4.80 105.19 105.31 1wek n GLY 92 Ca 0.17 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.01 1.67 -0.24 -0.02 0.00 -0.48 -5.02 107.32 101.22 1wek s GLY 93 Ca 0.00 -0.89 -0.23 0.00 0.00 0.00 0.00 44.72 43.59 1wek s GLY 93 CO 0.00 -0.42 0.77 0.14 0.00 0.00 0.00 173.10 173.60 1wek s VAL 94 N -3.41 4.88 -0.22 1.40 1.01 -1.26 -4.47 120.40 118.33 1wek s VAL 94 Ca 0.62 1.45 -0.04 0.00 0.00 0.00 0.00 61.98 64.01 1wek s VAL 94 Cb -0.10 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1wek s VAL 94 CO 0.47 -0.04 -0.03 -0.55 0.00 0.00 0.00 175.10 174.95 1wek s SER 95 N 1.36 4.43 -0.04 3.32 0.15 -1.26 -2.20 113.70 119.45 1wek s SER 95 Ca 0.33 -0.35 0.04 0.00 0.70 0.00 0.00 55.95 56.67 1wek s SER 95 Cb -0.15 -1.76 -0.03 0.00 -1.71 0.00 0.00 66.02 62.37 1wek s SER 95 CO 0.08 0.00 -0.14 -0.69 1.20 0.00 0.00 173.24 173.69 1wek s VAL 96 N 1.36 3.08 -0.08 4.45 1.01 0.23 0.91 120.40 131.36 1wek s VAL 96 Ca 0.04 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1wek s VAL 96 Cb -0.14 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 34.04 1wek s VAL 96 CO -0.02 0.57 -0.09 -0.83 0.00 0.00 0.00 175.10 174.73 1wek s GLY 97 N -0.80 0.75 -1.14 4.51 0.00 -0.41 -1.62 107.32 108.60 1wek s GLY 97 Ca 0.12 -0.41 -0.10 0.00 0.00 0.00 0.00 44.72 44.33 1wek s GLY 97 CO 0.01 0.49 1.21 1.04 0.00 0.00 0.00 173.10 175.84 1wek n LEU 98 N 4.37 5.49 -4.69 0.66 4.77 0.04 -0.23 117.00 127.41 1wek n LEU 98 Ca -0.18 -4.91 -0.42 0.00 -0.03 0.00 0.00 56.01 50.46 1wek n LEU 98 Cb 0.51 -1.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.07 1wek n LEU 98 CO 0.21 1.22 0.99 0.20 -1.33 0.00 0.00 177.39 178.68 1wek s ASN 99 N 1.56 7.01 0.00 -1.43 0.01 -0.35 -4.41 114.94 117.33 1wek s ASN 99 Ca 0.34 1.85 0.24 0.00 -0.71 0.00 0.00 52.86 54.58 1wek s ASN 99 Cb -0.08 -2.56 0.33 0.00 0.41 0.00 0.00 41.25 39.35 1wek s ASN 99 CO -0.06 -0.62 1.29 -0.38 -1.51 0.00 0.00 177.10 175.83 1wek n ILE 100 N 4.69 0.00 -3.64 0.60 2.08 -1.26 -0.54 119.36 121.29 1wek n ILE 100 Ca 0.12 -0.12 -0.06 0.00 0.56 0.00 0.00 62.75 63.25 1wek n ILE 100 Cb 0.46 0.71 -0.07 0.00 -0.75 0.00 0.00 39.64 39.99 1wek n ILE 100 CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 1wek s PRO 108 N -2.67 0.45 0.68 0.38 0.02 -1.26 -4.97 135.00 127.63 1wek s PRO 108 Ca 0.17 0.65 -0.17 0.00 0.02 0.00 0.00 61.00 61.68 1wek s PRO 108 Cb 0.18 0.16 0.01 0.00 0.02 0.00 0.00 34.50 34.86 1wek s PRO 108 CO 0.63 -0.07 1.27 0.27 -0.33 0.00 0.00 177.00 178.76 1wek n ASN 109 N 3.02 1.84 -1.76 2.53 0.23 -1.00 -4.89 115.26 115.24 1wek n ASN 109 Ca -0.16 0.78 -0.14 0.00 -0.53 0.00 0.00 54.58 54.53 1wek n ASN 109 Cb 0.57 -1.54 0.06 0.00 -2.08 0.00 0.00 39.78 36.78 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 -2.17 1.71 -2.53 -0.53 -0.04 -1.26 -4.34 135.00 125.84 1wek n PRO 110 Ca 0.15 -1.49 -0.19 0.00 -0.04 0.00 0.00 63.50 61.93 1wek n PRO 110 Cb 0.48 -1.58 0.01 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.09 2.48 -4.81 0.54 4.02 -1.26 -5.04 117.16 113.18 1wek n TYR 111 Ca 0.29 -2.92 -0.29 0.00 -0.01 0.00 0.00 57.90 54.97 1wek n TYR 111 Cb 0.78 -0.21 -0.17 0.00 -0.02 0.00 0.00 39.34 39.73 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 -3.40 2.39 0.05 -0.72 -0.21 -1.26 -4.45 119.66 112.06 1wek s GLN 112 Ca 0.40 -0.64 -0.15 0.00 0.02 0.00 0.00 55.36 54.98 1wek s GLN 112 Cb 0.42 -1.90 -0.28 0.00 1.00 0.00 0.00 33.01 32.25 1wek s GLN 112 CO -0.09 0.07 1.11 1.15 -2.12 0.00 0.00 175.29 175.41 1wek h THR 113 N 5.86 1.29 -3.35 -0.19 2.02 0.17 -3.42 112.91 115.29 1wek h THR 113 Ca -0.26 -2.41 -0.53 0.00 0.77 0.00 0.00 66.41 63.97 1wek h THR 113 Cb 1.21 2.66 -0.39 0.00 -1.74 0.00 0.00 68.15 69.88 1wek h THR 113 CO 0.48 0.73 -0.77 -1.00 0.37 0.00 0.00 175.52 175.33 1wek s HIS 114 N -3.02 1.35 -0.35 3.16 3.76 -0.50 -4.98 115.29 114.71 1wek s HIS 114 Ca -0.10 -1.01 -0.11 0.00 -0.15 0.00 0.00 55.06 53.70 1wek s HIS 114 Cb 0.05 -1.15 0.01 0.00 1.11 0.00 0.00 32.58 32.60 1wek s HIS 114 CO 0.93 -0.62 0.19 0.00 -0.85 0.00 0.00 174.74 174.38 1wek s ALA 115 N 1.75 3.30 0.04 -1.40 0.00 -1.26 -1.29 121.76 122.90 1wek s ALA 115 Ca -0.01 -1.56 -0.22 0.00 0.00 0.00 0.00 51.96 50.17 1wek s ALA 115 Cb -0.17 -2.52 -0.06 0.00 0.00 0.00 0.00 23.12 20.37 1wek s ALA 115 CO -0.07 -1.16 0.65 -0.51 0.00 0.00 0.00 175.76 174.66 1wek s LEU 116 N 1.59 4.47 -0.35 0.00 2.01 0.67 -4.97 118.68 122.11 1wek s LEU 116 Ca 0.03 1.30 -0.08 0.00 0.01 0.00 0.00 54.13 55.39 1wek s LEU 116 Cb -0.18 -3.02 0.03 0.00 0.01 0.00 0.00 46.19 43.03 1wek s LEU 116 CO 0.07 0.14 0.14 -0.44 1.01 0.00 0.00 176.35 177.27 1wek s SER 117 N -0.49 5.46 -0.05 2.29 0.01 -1.26 -1.21 113.70 118.45 1wek s SER 117 Ca 0.33 -1.07 0.05 0.00 1.31 0.00 0.00 55.95 56.56 1wek s SER 117 Cb -0.20 -1.93 -0.02 0.00 0.21 0.00 0.00 66.02 64.09 1wek s SER 117 CO 0.20 -0.34 -0.17 -0.76 0.41 0.00 0.00 173.24 172.57 1wek s LEU 118 N 1.46 2.54 -0.09 2.44 1.02 0.30 -5.01 118.68 121.35 1wek s LEU 118 Ca -0.00 -0.28 0.05 0.00 0.02 0.00 0.00 54.13 53.92 1wek s LEU 118 Cb -0.19 -1.50 -0.24 0.00 0.02 0.00 0.00 46.19 44.28 1wek s LEU 118 CO 0.04 0.32 0.47 -1.14 0.02 0.00 0.00 176.35 176.06 1wek n ARG 119 N 2.44 0.69 -4.32 1.70 0.63 -1.26 -4.23 116.66 112.30 1wek n ARG 119 Ca -0.17 0.26 -0.34 0.00 -0.92 0.00 0.00 57.85 56.68 1wek n ARG 119 Cb 0.52 -1.73 -0.12 0.00 0.45 0.00 0.00 32.46 31.57 1wek n ARG 119 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1wek s TYR 120 N -2.57 3.01 0.29 -0.14 1.51 -1.26 -5.01 117.35 113.17 1wek s TYR 120 Ca -0.13 -0.38 -0.02 0.00 -1.01 0.00 0.00 57.07 55.53 1wek s TYR 120 Cb 0.07 -1.99 0.41 0.00 -0.11 0.00 0.00 41.96 40.34 1wek s TYR 120 CO 0.79 -0.12 1.88 0.27 -1.11 0.00 0.00 175.55 177.27 1wek h PHE 121 N 6.95 0.94 0.00 2.71 -5.15 -2.01 -2.67 116.94 117.72 1wek h PHE 121 Ca -0.32 -0.04 -0.05 0.00 -0.20 0.00 0.00 57.97 57.35 1wek h PHE 121 Cb 1.19 -0.29 -0.01 0.00 0.22 0.00 0.00 35.95 37.06 1wek h PHE 121 CO 0.55 0.70 -0.26 0.27 -2.00 0.00 0.00 178.31 177.57 1wek h PHE 122 N 0.94 0.00 -0.41 6.09 -5.15 -2.00 -1.43 116.94 114.99 1wek h PHE 122 Ca 0.23 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.88 1wek h PHE 122 Cb 0.12 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.28 1wek h PHE 122 CO 0.01 0.26 -0.20 0.28 -2.00 0.00 0.00 178.31 176.67 1wek h VAL 123 N 0.00 1.28 -0.25 0.88 2.07 -1.89 -2.54 116.25 115.80 1wek h VAL 123 Ca -0.00 -1.34 0.03 0.00 0.82 0.00 0.00 66.70 66.21 1wek h VAL 123 Cb 0.61 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1wek h VAL 123 CO 0.03 0.45 0.04 -0.09 0.02 0.00 0.00 177.57 178.02 1wek h ARG 124 N 0.67 0.13 -0.71 1.57 2.43 -1.28 -0.38 114.38 116.80 1wek h ARG 124 Ca 0.09 -0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.39 1wek h ARG 124 Cb 0.76 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.18 1wek h ARG 124 CO 0.06 0.09 0.24 0.87 -1.51 0.00 0.00 179.97 179.71 1wek h LYS 125 N 0.13 0.36 -0.43 0.20 1.57 -1.09 0.13 116.57 117.43 1wek h LYS 125 Ca 0.11 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1wek h LYS 125 Cb 0.12 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1wek h LYS 125 CO -0.16 0.24 0.15 0.28 -0.57 0.00 0.00 179.45 179.39 1wek h VAL 126 N 0.37 1.21 0.00 0.50 2.07 -0.93 -2.94 116.25 116.53 1wek h VAL 126 Ca 0.39 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 1wek h VAL 126 Cb 0.59 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1wek h VAL 126 CO -0.42 0.25 -0.13 -0.07 0.02 0.00 0.00 177.57 177.22 1wek h LEU 127 N 0.56 0.00 -1.44 2.57 3.38 0.60 0.37 115.31 121.35 1wek h LEU 127 Ca 0.14 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1wek h LEU 127 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1wek h LEU 127 CO -0.01 0.13 -0.27 -0.26 0.09 0.00 0.00 178.44 178.12 1wek h PHE 128 N 0.00 0.00 0.00 1.13 0.05 -0.65 -3.34 116.94 114.13 1wek h PHE 128 Ca -0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1wek h PHE 128 Cb 0.28 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.23 1wek h PHE 128 CO 0.00 0.27 -1.19 1.33 -0.18 0.00 0.00 178.31 178.54 1wek n VAL 129 N -3.85 0.00 -0.33 -0.55 0.24 -0.82 -4.40 118.33 108.62 1wek n VAL 129 Ca -0.02 -0.14 0.13 0.00 -2.04 0.00 0.00 64.34 62.28 1wek n VAL 129 Cb 0.36 0.41 0.34 0.00 -1.47 0.00 0.00 33.84 33.48 1wek n VAL 129 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1wek h ARG 130 N 0.00 0.72 -0.04 7.34 2.47 -1.07 -2.54 114.38 121.26 1wek h ARG 130 Ca 0.00 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1wek h ARG 130 Cb 0.24 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1wek h ARG 130 CO 0.00 0.47 -0.01 0.66 0.56 0.00 0.00 179.97 181.65 1wek n TYR 131 N -4.69 0.14 -2.41 3.04 4.02 -1.26 -5.00 117.16 111.00 1wek n TYR 131 Ca 0.22 -0.99 -0.41 0.00 -0.01 0.00 0.00 57.90 56.70 1wek n TYR 131 Cb 0.56 -0.18 -0.03 0.00 -0.02 0.00 0.00 39.34 39.67 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 -2.88 3.42 -1.53 -0.72 0.00 -0.96 -4.35 121.76 114.74 1wek s ALA 132 Ca 0.34 0.92 0.16 0.00 0.00 0.00 0.00 51.96 53.37 1wek s ALA 132 Cb 0.29 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 20.02 1wek s ALA 132 CO 0.04 -0.34 0.87 1.55 0.00 0.00 0.00 175.76 177.87 1wek n VAL 133 N 2.57 0.00 0.00 0.00 3.14 -0.27 -4.87 118.33 118.89 1wek n VAL 133 Ca 0.04 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 1wek n VAL 133 Cb 0.45 1.20 0.00 0.00 -1.06 0.00 0.00 33.84 34.44 1wek n VAL 133 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1wek n GLY 134 N 1.13 0.93 3.01 7.55 0.00 -1.26 -4.41 105.19 112.14 1wek n GLY 134 Ca 0.07 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.35 -0.12 1.61 5.99 -0.43 -2.09 117.98 120.60 1wek s PHE 135 Ca 0.00 0.85 0.01 0.00 0.00 0.00 0.00 56.93 57.78 1wek s PHE 135 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 43.02 42.99 1wek s PHE 135 CO 0.00 -0.29 -0.14 0.08 -0.00 0.00 0.00 175.22 174.88 1wek s VAL 136 N 1.85 3.01 -0.12 3.12 1.01 0.64 -0.99 120.40 128.92 1wek s VAL 136 Ca -0.04 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1wek s VAL 136 Cb -0.11 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 1wek s VAL 136 CO -0.08 0.53 -0.17 -0.36 0.00 0.00 0.00 175.10 175.02 1wek s PHE 137 N 0.20 2.72 0.36 5.22 0.40 0.17 -1.68 117.98 125.38 1wek s PHE 137 Ca -0.08 -0.80 0.08 0.00 -0.60 0.00 0.00 56.93 55.52 1wek s PHE 137 Cb -0.15 -1.79 -0.04 0.00 0.51 0.00 0.00 43.02 41.54 1wek s PHE 137 CO 0.05 -0.30 0.16 -0.51 0.70 0.00 0.00 175.22 175.32 1wek s LEU 138 N 0.36 3.21 -0.10 -0.37 1.43 -0.61 -0.21 118.68 122.38 1wek s LEU 138 Ca -0.14 -0.87 -0.38 0.00 -1.03 0.00 0.00 54.13 51.71 1wek s LEU 138 Cb -0.17 -1.65 -0.16 0.00 0.03 0.00 0.00 46.19 44.25 1wek s LEU 138 CO 0.07 -0.38 1.57 -2.65 0.23 0.00 0.00 176.35 175.19 1wek n PRO 139 N -1.18 1.22 -0.82 1.29 -0.02 -1.26 -4.37 135.00 129.86 1wek n PRO 139 Ca -0.02 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1wek n PRO 139 Cb 0.62 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 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 3.46 2.54 0.00 -1.23 0.00 -1.26 -1.54 105.19 107.16 1wek n GLY 140 Ca 0.23 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 1.33 0.08 -0.02 0.00 -1.26 -4.86 105.19 100.47 1wek n GLY 141 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.16 -0.75 1.61 0.05 -2.01 -1.11 116.94 114.88 1wek h PHE 142 Ca 0.00 -0.02 0.08 0.00 3.82 0.00 0.00 57.97 61.85 1wek h PHE 142 Cb 0.00 -0.04 -0.07 0.00 2.00 0.00 0.00 35.95 37.84 1wek h PHE 142 CO 0.00 0.35 0.41 0.78 -0.18 0.00 0.00 178.31 179.67 1wek h GLY 143 N -0.08 1.14 1.13 -1.45 0.00 -1.97 0.84 103.07 102.67 1wek h GLY 143 Ca 0.03 -0.27 -0.16 0.00 0.00 0.00 0.00 47.33 46.93 1wek h GLY 143 CO 0.00 0.11 -0.37 -0.84 0.00 0.00 0.00 176.54 175.44 1wek h THR 144 N 0.71 1.27 -0.40 4.70 2.02 -1.87 -0.33 112.91 119.01 1wek h THR 144 Ca 0.36 -1.55 -0.08 0.00 0.77 0.00 0.00 66.41 65.91 1wek h THR 144 Cb 0.32 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1wek h THR 144 CO -0.24 0.52 -0.06 0.25 0.37 0.00 0.00 175.52 176.36 1wek h LEU 145 N 0.78 0.74 0.06 2.58 5.85 -0.48 -0.78 115.31 124.06 1wek h LEU 145 Ca 0.07 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.47 1wek h LEU 145 Cb 0.97 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 1wek h LEU 145 CO 0.09 0.91 -0.42 -0.78 -0.34 0.00 0.00 178.44 177.90 1wek h ASP 146 N 0.56 -1.27 -0.58 1.25 3.58 0.91 0.12 116.42 121.00 1wek h ASP 146 Ca 0.11 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.71 1wek h ASP 146 Cb 0.57 0.49 -0.03 0.00 1.72 0.00 0.00 39.33 42.07 1wek h ASP 146 CO 0.03 -0.48 0.38 -0.08 -2.88 0.00 0.00 179.24 176.21 1wek h GLU 147 N -0.62 0.76 -0.53 0.28 4.57 -0.93 -1.97 114.58 116.14 1wek h GLU 147 Ca 0.03 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1wek h GLU 147 Cb 0.67 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.06 1wek h GLU 147 CO -0.28 0.51 0.30 1.25 -1.18 0.00 0.00 179.01 179.61 1wek h LEU 148 N 0.78 0.65 -0.50 1.64 5.85 -0.81 -1.55 115.31 121.37 1wek h LEU 148 Ca 0.21 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1wek h LEU 148 Cb -0.08 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 1wek h LEU 148 CO -0.04 0.55 0.23 0.28 -0.34 0.00 0.00 178.44 179.11 1wek h SER 149 N 0.71 0.32 -0.45 1.25 0.02 -0.42 -0.46 113.55 114.51 1wek h SER 149 Ca 0.19 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 1wek h SER 149 Cb 0.03 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1wek h SER 149 CO -0.03 0.22 -0.19 -0.08 -1.14 0.00 0.00 176.83 175.61 1wek h GLU 150 N 0.46 0.95 -0.39 3.45 4.81 -1.16 -2.12 114.58 120.58 1wek h GLU 150 Ca 0.23 -0.39 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1wek h GLU 150 Cb 0.16 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1wek h GLU 150 CO -0.18 1.05 0.20 0.28 -0.73 0.00 0.00 179.01 179.63 1wek h VAL 151 N 0.83 1.16 -0.32 0.32 2.07 -0.76 0.80 116.25 120.35 1wek h VAL 151 Ca 0.11 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.20 1wek h VAL 151 Cb 0.75 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1wek h VAL 151 CO 0.06 0.17 0.18 -0.07 0.02 0.00 0.00 177.57 177.93 1wek h LEU 152 N 0.50 0.28 0.13 2.57 3.38 -0.94 -0.50 115.31 120.73 1wek h LEU 152 Ca 0.14 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1wek h LEU 152 Cb 0.10 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1wek h LEU 152 CO -0.02 0.21 -0.11 0.58 0.09 0.00 0.00 178.44 179.19 1wek h VAL 153 N 0.37 0.75 -0.60 1.22 2.07 -1.10 0.56 116.25 119.52 1wek h VAL 153 Ca 0.13 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.74 1wek h VAL 153 Cb 0.01 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 30.46 1wek h VAL 153 CO -0.07 0.00 0.20 -0.07 0.02 0.00 0.00 177.57 177.65 1wek h LEU 154 N -0.25 0.16 -0.02 2.57 4.07 -0.58 0.13 115.31 121.39 1wek h LEU 154 Ca -0.00 0.09 -0.04 0.00 0.08 0.00 0.00 57.88 58.00 1wek h LEU 154 Cb 0.24 0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1wek h LEU 154 CO -0.02 0.10 -0.15 -0.07 -1.08 0.00 0.00 178.44 177.22 1wek h LEU 155 N 0.36 0.18 -0.97 1.67 3.38 -0.88 0.33 115.31 119.38 1wek h LEU 155 Ca 0.30 -0.69 0.21 0.00 0.09 0.00 0.00 57.88 57.79 1wek h LEU 155 Cb 0.40 -0.05 -0.11 0.00 0.09 0.00 0.00 40.66 40.98 1wek h LEU 155 CO -0.33 0.83 0.55 -0.61 0.09 0.00 0.00 178.44 178.98 1wek h GLN 156 N -0.47 0.62 -0.55 1.13 4.15 0.50 0.15 115.11 120.63 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 0.84 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.39 1wek h GLN 156 CO 0.03 0.41 0.00 0.25 -1.93 0.00 0.00 178.83 177.59 1wek n THR 157 N -4.86 0.73 -3.76 2.39 -2.24 0.42 -4.98 114.28 101.99 1wek n THR 157 Ca 0.23 -0.83 -0.26 0.00 -2.27 0.00 0.00 64.05 60.93 1wek n THR 157 Cb 0.62 0.66 0.05 0.00 -2.10 0.00 0.00 70.33 69.55 1wek n THR 157 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wek n GLU 158 N 1.46 -6.08 0.00 -0.78 1.02 0.54 -4.88 120.64 111.92 1wek n GLU 158 Ca 0.21 0.68 0.14 0.00 -0.02 0.00 0.00 57.16 58.17 1wek n GLU 158 Cb 0.58 -5.55 0.57 0.00 -0.02 0.00 0.00 31.44 27.03 1wek n GLU 158 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1wek n LYS 159 N -4.63 0.44 -3.85 3.49 4.76 0.10 -4.86 118.16 113.61 1wek n LYS 159 Ca -0.07 -0.14 -0.09 0.00 -2.87 0.00 0.00 58.31 55.14 1wek n LYS 159 Cb 0.58 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 32.20 1wek n LYS 159 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1wek s VAL 160 N -2.65 0.11 0.58 -0.18 0.11 -1.25 -5.06 120.40 112.06 1wek s VAL 160 Ca 0.24 -1.13 -0.20 0.00 -2.93 0.00 0.00 61.98 57.95 1wek s VAL 160 Cb 0.19 -1.46 -0.04 0.00 -1.53 0.00 0.00 36.38 33.55 1wek s VAL 160 CO 0.52 -0.49 1.29 0.00 -3.33 0.00 0.00 175.10 173.09 1wek n HIS 161 N -0.14 2.01 -2.40 1.54 1.44 -1.26 -4.83 115.22 111.59 1wek n HIS 161 Ca -0.13 0.43 -0.36 0.00 -2.01 0.00 0.00 57.72 55.65 1wek n HIS 161 Cb 0.63 -2.31 -0.02 0.00 0.12 0.00 0.00 29.99 28.41 1wek n HIS 161 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1wek s ARG 162 N -3.02 3.87 0.08 -1.40 1.81 -1.26 -4.99 118.95 114.04 1wek s ARG 162 Ca 0.76 1.60 -0.19 0.00 -1.72 0.00 0.00 55.73 56.18 1wek s ARG 162 Cb -0.41 -2.36 0.04 0.00 -0.45 0.00 0.00 34.95 31.77 1wek s ARG 162 CO 0.46 -0.42 0.45 -0.59 -0.68 0.00 0.00 175.30 174.53 1wek s PHE 163 N -1.68 -0.31 0.49 -0.53 -0.12 -1.26 -5.01 117.98 109.56 1wek s PHE 163 Ca 0.63 0.19 -0.21 0.00 -0.05 0.00 0.00 56.93 57.48 1wek s PHE 163 Cb -0.24 0.30 -0.07 0.00 -0.63 0.00 0.00 43.02 42.37 1wek s PHE 163 CO 0.29 -0.66 1.10 -2.14 -0.05 0.00 0.00 175.22 173.76 1wek s PRO 164 N -3.04 3.68 -0.10 1.99 0.02 -1.26 -4.90 135.00 131.39 1wek s PRO 164 Ca -0.02 1.57 0.00 0.00 0.02 0.00 0.00 61.00 62.58 1wek s PRO 164 Cb 0.00 -2.20 0.02 0.00 0.02 0.00 0.00 34.50 32.34 1wek s PRO 164 CO -0.06 -0.57 -0.09 0.08 -0.33 0.00 0.00 177.00 176.03 1wek s VAL 165 N -1.75 1.03 -0.03 3.83 1.01 -1.25 -1.31 120.40 121.93 1wek s VAL 165 Ca 0.67 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 62.38 1wek s VAL 165 Cb -0.23 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 1wek s VAL 165 CO 0.27 0.36 -0.21 -0.36 0.00 0.00 0.00 175.10 175.16 1wek s PHE 166 N 1.38 2.48 -0.23 5.22 0.40 -0.16 0.40 117.98 127.47 1wek s PHE 166 Ca -0.01 -0.32 -0.02 0.00 -0.60 0.00 0.00 56.93 55.97 1wek s PHE 166 Cb -0.14 -1.55 0.01 0.00 0.51 0.00 0.00 43.02 41.86 1wek s PHE 166 CO -0.05 0.06 -0.07 -0.51 0.70 0.00 0.00 175.22 175.35 1wek s LEU 167 N -0.70 2.94 -0.08 -0.37 1.43 0.18 0.46 118.68 122.55 1wek s LEU 167 Ca 0.11 -0.67 -0.17 0.00 -1.03 0.00 0.00 54.13 52.37 1wek s LEU 167 Cb -0.10 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 1wek s LEU 167 CO -0.00 -0.07 0.45 -0.76 0.23 0.00 0.00 176.35 176.19 1wek s LEU 168 N 1.38 4.34 0.00 1.79 1.43 0.71 -1.93 118.68 126.40 1wek s LEU 168 Ca 0.03 0.85 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 1wek s LEU 168 Cb -0.15 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.42 1wek s LEU 168 CO -0.05 0.11 0.00 -0.67 0.23 0.00 0.00 176.35 175.97 1wek n ASP 169 N 3.05 -0.81 -0.19 2.29 -0.08 -0.16 -4.17 116.55 116.47 1wek n ASP 169 Ca -0.10 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.18 1wek n ASP 169 Cb 0.52 -0.41 0.10 0.00 2.34 0.00 0.00 41.12 43.67 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 0.28 -0.83 -0.67 3.08 -1.86 -2.03 114.38 112.35 1wek h ARG 170 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1wek h ARG 170 Cb 0.00 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 1wek h ARG 170 CO 0.00 0.18 0.53 0.78 -1.07 0.00 0.00 179.97 180.39 1wek h GLY 171 N 0.28 1.18 0.71 0.04 0.00 -1.97 0.38 103.07 103.69 1wek h GLY 171 Ca 0.30 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 1wek h GLY 171 CO -0.37 0.45 -0.18 -1.82 0.00 0.00 0.00 176.54 174.62 1wek h TYR 172 N 1.13 0.41 0.00 5.60 3.20 -1.77 -3.23 116.97 122.32 1wek h TYR 172 Ca 0.30 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1wek h TYR 172 Cb -0.09 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.10 1wek h TYR 172 CO 0.00 0.79 0.00 -1.49 -1.64 0.00 0.00 178.16 175.82 1wek h TRP 173 N -0.08 0.00 0.00 -3.82 4.06 -1.26 -3.40 115.95 111.45 1wek h TRP 173 Ca 0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1wek h TRP 173 Cb 0.75 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.91 1wek h TRP 173 CO 0.10 0.00 0.00 -1.91 -3.56 0.00 0.00 178.44 173.07 1wek n GLU 174 N -2.98 0.00 -0.25 0.49 4.07 0.11 -1.15 120.64 120.93 1wek n GLU 174 Ca 0.03 0.14 0.05 0.00 -0.06 0.00 0.00 57.16 57.32 1wek n GLU 174 Cb 0.45 -0.23 0.16 0.00 -0.06 0.00 0.00 31.44 31.76 1wek n GLU 174 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1wek h GLY 175 N 0.00 0.86 0.80 8.31 0.00 -1.82 -0.34 103.07 110.88 1wek h GLY 175 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 1wek h GLY 175 CO 0.00 -0.28 0.02 -2.00 0.00 0.00 0.00 176.54 174.28 1wek h LEU 176 N 0.12 0.21 -0.99 3.11 6.46 -1.44 -0.82 115.31 121.97 1wek h LEU 176 Ca 0.41 -0.27 0.06 0.00 -0.12 0.00 0.00 57.88 57.96 1wek h LEU 176 Cb 0.72 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.53 1wek h LEU 176 CO -0.64 0.42 0.64 0.58 -0.62 0.00 0.00 178.44 178.82 1wek h VAL 177 N -0.01 1.11 -0.40 1.05 2.07 -0.48 -0.15 116.25 119.44 1wek h VAL 177 Ca 0.04 -0.41 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 1wek h VAL 177 Cb 0.30 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1wek h VAL 177 CO 0.00 0.22 -0.11 0.03 0.02 0.00 0.00 177.57 177.73 1wek h ARG 178 N 1.18 0.78 -0.65 1.57 3.08 -0.95 -1.61 114.38 117.78 1wek h ARG 178 Ca 0.42 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1wek h ARG 178 Cb 0.12 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1wek h ARG 178 CO -0.16 0.92 0.40 2.35 -1.07 0.00 0.00 179.97 182.40 1wek h TRP 179 N 0.59 0.84 -0.30 3.04 7.01 -0.33 0.00 115.95 126.82 1wek h TRP 179 Ca 0.10 0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.02 1wek h TRP 179 Cb 0.64 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.40 1wek h TRP 179 CO 0.05 0.56 -0.16 -0.07 -2.79 0.00 0.00 178.44 176.03 1wek h LEU 180 N 0.89 0.51 -0.82 0.65 3.38 -0.68 0.81 115.31 120.05 1wek h LEU 180 Ca 0.24 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1wek h LEU 180 Cb -0.05 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1wek h LEU 180 CO -0.05 0.69 0.10 0.00 0.09 0.00 0.00 178.44 179.27 1wek h ALA 181 N 1.36 1.03 -0.17 1.53 0.00 -0.22 -0.83 119.26 121.95 1wek h ALA 181 Ca 0.08 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1wek h ALA 181 Cb 0.55 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1wek h ALA 181 CO 0.04 0.62 0.10 0.35 0.00 0.00 0.00 179.25 180.35 1wek h PHE 182 N 0.92 0.24 -0.69 0.00 3.57 0.30 0.39 116.94 121.68 1wek h PHE 182 Ca 0.19 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.78 1wek h PHE 182 Cb 0.40 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 1wek h PHE 182 CO 0.03 0.22 0.45 -0.07 -2.23 0.00 0.00 178.31 176.71 1wek h LEU 183 N 0.18 0.51 -0.52 0.59 3.38 -0.36 0.26 115.31 119.34 1wek h LEU 183 Ca 0.06 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 1wek h LEU 183 Cb 0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1wek h LEU 183 CO -0.01 0.30 -0.62 -0.09 0.09 0.00 0.00 178.44 178.12 1wek h ARG 184 N 0.56 0.43 -0.78 1.13 2.43 -0.42 -0.47 114.38 117.27 1wek h ARG 184 Ca 0.32 -0.30 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1wek h ARG 184 Cb 0.49 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1wek h ARG 184 CO -0.10 0.91 0.29 -0.44 -1.51 0.00 0.00 179.97 179.12 1wek h ASP 185 N 0.32 1.10 0.84 -3.80 3.45 0.16 -2.06 116.42 116.42 1wek h ASP 185 Ca -0.01 -0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.27 1wek h ASP 185 Cb 1.16 -0.29 0.00 0.00 -0.56 0.00 0.00 39.33 39.64 1wek h ASP 185 CO 0.11 0.99 0.00 0.00 -1.57 0.00 0.00 179.24 178.77 1wek n GLN 186 N -4.26 0.15 -1.51 3.56 1.13 0.05 -4.90 117.38 111.60 1wek n GLN 186 Ca 0.07 0.32 -0.03 0.00 -1.94 0.00 0.00 57.00 55.42 1wek n GLN 186 Cb 0.20 -1.76 -0.01 0.00 0.11 0.00 0.00 30.24 28.79 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 -2.04 -0.23 0.14 -1.09 5.02 -0.76 -4.92 118.16 114.28 1wek n LYS 187 Ca 0.03 0.41 0.02 0.00 -2.02 0.00 0.00 58.31 56.76 1wek n LYS 187 Cb 0.26 -4.06 0.05 0.00 -0.02 0.00 0.00 35.03 31.26 1wek n LYS 187 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wek h ALA 188 N 0.06 0.68 -2.56 7.82 0.00 -1.35 -3.45 119.26 120.46 1wek h ALA 188 Ca -0.07 -0.48 -0.52 0.00 0.00 0.00 0.00 54.91 53.84 1wek h ALA 188 Cb 0.57 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.12 1wek h ALA 188 CO 0.09 0.66 -0.76 0.14 0.00 0.00 0.00 179.25 179.37 1wek s VAL 189 N -3.02 1.94 0.74 0.00 -7.23 -1.22 -5.02 120.40 106.60 1wek s VAL 189 Ca 0.03 -2.12 -0.13 0.00 -1.81 0.00 0.00 61.98 57.96 1wek s VAL 189 Cb 0.08 -2.01 0.05 0.00 0.56 0.00 0.00 36.38 35.05 1wek s VAL 189 CO 0.74 -0.42 1.13 -0.83 -0.31 0.00 0.00 175.10 175.41 1wek s GLY 190 N -3.05 1.97 0.31 2.32 0.00 -1.26 -4.72 107.32 102.90 1wek s GLY 190 Ca 0.21 0.53 0.06 0.00 0.00 0.00 0.00 44.72 45.52 1wek s GLY 190 CO 0.08 0.90 1.61 -2.55 0.00 0.00 0.00 173.10 173.14 1wek h PRO 191 N -0.67 0.10 -0.26 2.90 0.11 -1.99 -1.98 132.00 130.21 1wek h PRO 191 Ca -0.45 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 1wek h PRO 191 Cb 1.25 -0.02 -0.13 0.00 0.11 0.00 0.00 31.00 32.21 1wek h PRO 191 CO 0.51 0.07 -0.51 -0.85 -0.21 0.00 0.00 178.00 177.00 1wek n GLU 192 N -5.32 2.18 0.14 1.05 0.28 -1.26 -4.67 120.64 113.04 1wek n GLU 192 Ca 0.26 -3.52 0.03 0.00 -0.16 0.00 0.00 57.16 53.76 1wek n GLU 192 Cb 0.84 -1.83 0.03 0.00 1.43 0.00 0.00 31.44 31.91 1wek n GLU 192 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1wek h ASP 193 N 1.33 0.00 0.45 -1.84 3.32 -1.71 -2.98 116.42 114.99 1wek h ASP 193 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1wek h ASP 193 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1wek h ASP 193 CO 0.28 0.50 0.00 0.18 -1.72 0.00 0.00 179.24 178.48 1wek n LEU 194 N -3.23 0.00 -0.40 1.55 4.77 -1.26 -2.38 117.00 116.06 1wek n LEU 194 Ca 0.02 0.26 0.11 0.00 -0.03 0.00 0.00 56.01 56.37 1wek n LEU 194 Cb 0.73 -0.26 0.44 0.00 -2.33 0.00 0.00 43.42 42.00 1wek n LEU 194 CO 0.40 -0.04 0.81 0.00 -1.33 0.00 0.00 177.39 177.23 1wek n GLN 195 N -1.26 1.52 0.17 3.23 6.02 -1.12 -3.69 117.38 122.25 1wek n GLN 195 Ca 0.13 -0.78 0.05 0.00 -0.01 0.00 0.00 57.00 56.39 1wek n GLN 195 Cb 0.20 -1.37 0.20 0.00 1.02 0.00 0.00 30.24 30.28 1wek n GLN 195 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1wek h LEU 196 N 1.61 0.00 -8.91 1.08 4.07 -1.65 -3.45 115.31 108.06 1wek h LEU 196 Ca 0.00 0.00 -0.50 0.00 0.08 0.00 0.00 57.88 57.46 1wek h LEU 196 Cb 0.35 0.00 -0.16 0.00 1.08 0.00 0.00 40.66 41.93 1wek h LEU 196 CO 0.00 0.40 -0.76 0.72 -1.08 0.00 0.00 178.44 177.72 1wek s PHE 197 N -3.28 1.85 0.07 1.13 -0.12 -1.24 -3.83 117.98 112.56 1wek s PHE 197 Ca 0.02 -0.49 0.08 0.00 -0.05 0.00 0.00 56.93 56.50 1wek s PHE 197 Cb 0.09 -0.87 -0.03 0.00 -0.63 0.00 0.00 43.02 41.57 1wek s PHE 197 CO 0.70 0.40 -0.23 0.50 -0.05 0.00 0.00 175.22 176.55 1wek s ARG 198 N -3.25 1.39 -0.12 1.99 3.52 0.16 -4.98 118.95 117.66 1wek s ARG 198 Ca 0.21 -1.09 -0.02 0.00 -0.13 0.00 0.00 55.73 54.69 1wek s ARG 198 Cb -0.04 -1.61 -0.03 0.00 -1.56 0.00 0.00 34.95 31.71 1wek s ARG 198 CO 0.08 0.40 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.42 1wek s LEU 199 N -1.53 3.28 0.10 -0.88 1.43 -1.26 -0.64 118.68 119.18 1wek s LEU 199 Ca 0.09 -0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 52.97 1wek s LEU 199 Cb -0.10 -1.76 0.04 0.00 0.03 0.00 0.00 46.19 44.40 1wek s LEU 199 CO 0.03 0.27 0.42 0.28 0.23 0.00 0.00 176.35 177.57 1wek s THR 200 N -0.22 0.06 -1.16 5.49 -1.32 -0.81 -4.96 115.64 112.72 1wek s THR 200 Ca 0.04 -0.50 0.11 0.00 -1.21 0.00 0.00 61.69 60.12 1wek s THR 200 Cb -0.13 -1.09 0.04 0.00 -1.51 0.00 0.00 72.50 69.82 1wek s THR 200 CO 0.02 -0.28 0.75 0.47 -2.21 0.00 0.00 174.62 173.37 1wek n ASP 201 N 0.02 1.58 -4.17 8.08 8.00 -1.26 -0.98 116.55 127.81 1wek n ASP 201 Ca -0.17 -1.29 -0.34 0.00 0.71 0.00 0.00 54.79 53.71 1wek n ASP 201 Cb 0.62 0.24 -0.15 0.00 -0.02 0.00 0.00 41.12 41.80 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 -1.16 3.09 0.64 -1.24 0.41 -1.26 -4.77 118.70 114.41 1wek s GLU 202 Ca 0.11 -0.78 0.39 0.00 -0.41 0.00 0.00 54.97 54.28 1wek s GLU 202 Cb 0.09 -2.68 2.17 0.00 -1.78 0.00 0.00 34.13 31.93 1wek s GLU 202 CO 0.20 -0.20 2.30 -1.35 -0.49 0.00 0.00 175.26 175.72 1wek h PRO 203 N 7.98 0.00 -0.08 0.39 0.11 -1.93 -0.32 132.00 138.16 1wek h PRO 203 Ca -0.45 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.50 1wek h PRO 203 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1wek h PRO 203 CO 0.63 0.00 -0.67 1.49 -0.21 0.00 0.00 178.00 179.24 1wek h GLU 204 N 0.00 0.33 0.00 1.05 4.81 -1.95 -2.42 114.58 116.41 1wek h GLU 204 Ca 0.01 -0.26 -0.08 0.00 -0.13 0.00 0.00 59.36 58.90 1wek h GLU 204 Cb 0.07 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1wek h GLU 204 CO -0.00 0.89 -0.38 0.93 -0.73 0.00 0.00 179.01 179.72 1wek h GLU 205 N 0.24 0.00 -0.10 1.92 5.08 -1.47 -0.53 114.58 119.71 1wek h GLU 205 Ca -0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1wek h GLU 205 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1wek h GLU 205 CO 0.11 0.38 -0.15 0.28 -1.00 0.00 0.00 179.01 178.63 1wek h VAL 206 N 0.00 1.39 -0.58 3.13 2.07 -1.31 -2.07 116.25 118.87 1wek h VAL 206 Ca -0.00 -1.41 -0.05 0.00 0.82 0.00 0.00 66.70 66.06 1wek h VAL 206 Cb 0.76 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1wek h VAL 206 CO 0.05 0.40 0.17 0.58 0.02 0.00 0.00 177.57 178.79 1wek h VAL 207 N -0.17 1.24 0.03 2.57 2.07 -1.21 -1.77 116.25 119.02 1wek h VAL 207 Ca 0.01 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.70 1wek h VAL 207 Cb 0.72 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1wek h VAL 207 CO 0.04 0.31 -0.05 1.56 0.02 0.00 0.00 177.57 179.45 1wek h GLN 208 N 0.82 -0.10 -0.27 1.57 4.20 -1.12 -0.83 115.11 119.38 1wek h GLN 208 Ca 0.19 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.97 1wek h GLN 208 Cb 0.30 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.03 1wek h GLN 208 CO -0.00 -0.07 -0.20 0.00 -0.67 0.00 0.00 178.83 177.89 1wek h ALA 209 N 0.86 -0.02 -0.70 3.87 0.00 -1.14 -1.41 119.26 120.72 1wek h ALA 209 Ca 0.01 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wek h ALA 209 Cb 0.12 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1wek h ALA 209 CO -0.03 -0.61 0.42 -0.07 0.00 0.00 0.00 179.25 178.96 1wek h LEU 210 N -0.18 0.84 -1.35 0.00 3.38 -1.09 -2.17 115.31 114.73 1wek h LEU 210 Ca 0.15 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1wek h LEU 210 Cb 0.41 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1wek h LEU 210 CO -0.38 0.66 0.24 0.11 0.09 0.00 0.00 178.44 179.16 1wek h LYS 211 N 0.95 0.69 0.00 1.13 1.57 -0.70 -1.76 116.57 118.45 1wek h LYS 211 Ca 0.25 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1wek h LYS 211 Cb -0.02 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1wek h LYS 211 CO -0.05 0.53 0.00 0.00 -0.57 0.00 0.00 179.45 179.37 1wek n ALA 212 N -2.46 2.09 -0.60 3.86 0.00 -0.57 -5.11 120.51 117.72 1wek n ALA 212 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1wek n ALA 212 Cb 0.12 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1wek n ALA 212 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89