#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wek n PRO 5 N 0.00 1.92 -0.23 1.64 -0.02 -1.26 -4.85 135.00 132.20 1wek n PRO 5 Ca 0.00 0.68 -0.07 0.00 -2.02 0.00 0.00 63.50 62.09 1wek n PRO 5 Cb 0.00 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.09 1wek n PRO 5 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1wek h LEU 6 N 2.10 -1.45 -0.64 2.45 6.46 -1.99 -1.60 115.31 120.63 1wek h LEU 6 Ca -0.48 0.25 0.02 0.00 -0.12 0.00 0.00 57.88 57.56 1wek h LEU 6 Cb 1.30 0.68 -0.04 0.00 -0.73 0.00 0.00 40.66 41.87 1wek h LEU 6 CO 0.60 -0.32 0.41 0.40 -0.62 0.00 0.00 178.44 178.91 1wek h ILE 7 N -0.18 1.12 0.00 4.05 1.08 -1.98 -1.34 117.51 120.26 1wek h ILE 7 Ca 0.21 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1wek h ILE 7 Cb 0.56 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 34.54 1wek h ILE 7 CO -0.73 0.15 0.00 0.47 -0.69 0.00 0.00 178.15 177.35 1wek n ASP 8 N -4.68 0.23 -0.05 1.72 9.92 -0.66 -0.96 116.55 122.08 1wek n ASP 8 Ca 0.06 0.57 0.13 0.00 -0.53 0.00 0.00 54.79 55.02 1wek n ASP 8 Cb 0.06 -0.62 0.44 0.00 -0.64 0.00 0.00 41.12 40.36 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 -1.77 0.23 -2.66 -1.24 6.02 -0.51 -4.81 117.38 112.65 1wek n GLN 9 Ca 0.02 -0.10 -0.42 0.00 -0.01 0.00 0.00 57.00 56.49 1wek n GLN 9 Cb 0.13 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 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 -2.84 4.26 0.01 1.08 1.43 -0.13 -4.99 118.68 117.50 1wek s LEU 10 Ca 0.17 1.59 0.01 0.00 -1.03 0.00 0.00 54.13 54.87 1wek s LEU 10 Cb 0.19 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 1wek s LEU 10 CO 0.59 -0.45 -0.04 -1.00 0.23 0.00 0.00 176.35 175.68 1wek s HIS 11 N 1.93 0.33 0.11 0.29 3.76 -1.26 -5.03 115.29 115.42 1wek s HIS 11 Ca 0.50 -0.15 0.27 0.00 -0.15 0.00 0.00 55.06 55.53 1wek s HIS 11 Cb -0.19 -0.21 1.47 0.00 1.11 0.00 0.00 32.58 34.76 1wek s HIS 11 CO 0.19 -0.03 1.82 1.12 -0.85 0.00 0.00 174.74 176.99 1wek h HIS 12 N 5.75 0.00 0.00 1.40 2.07 -2.02 -2.56 115.15 119.79 1wek h HIS 12 Ca -0.28 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.18 1wek h HIS 12 Cb 1.20 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.17 1wek h HIS 12 CO 0.46 0.00 -1.91 0.39 -3.07 0.00 0.00 177.93 173.80 1wek n GLU 13 N -2.48 0.66 -2.26 5.12 1.02 -1.26 -4.71 120.64 116.72 1wek n GLU 13 Ca -0.02 -0.11 -0.43 0.00 -0.02 0.00 0.00 57.16 56.58 1wek n GLU 13 Cb 0.10 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 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 -2.41 4.54 -0.34 1.62 8.00 -0.96 -4.82 116.55 122.18 1wek n ASP 14 Ca -0.08 -2.89 0.19 0.00 0.71 0.00 0.00 54.79 52.72 1wek n ASP 14 Cb 0.66 -1.71 0.41 0.00 -0.02 0.00 0.00 41.12 40.47 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 6.93 0.64 -0.47 -2.24 0.02 -1.84 -1.97 113.55 114.62 1wek h SER 15 Ca 0.49 0.14 0.05 0.00 -0.84 0.00 0.00 61.79 61.63 1wek h SER 15 Cb 0.78 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.34 1wek h SER 15 CO 1.62 0.07 0.32 4.11 -1.14 0.00 0.00 176.83 181.80 1wek h TRP 16 N 0.53 0.42 -0.18 3.45 0.09 -1.97 0.52 115.95 118.81 1wek h TRP 16 Ca 0.66 0.01 -0.14 0.00 0.09 0.00 0.00 58.89 59.51 1wek h TRP 16 Cb 1.32 -0.14 -0.01 0.00 0.08 0.00 0.00 29.16 30.41 1wek h TRP 16 CO -0.01 0.23 -0.47 -0.09 0.09 0.00 0.00 178.44 178.20 1wek h ARG 17 N 0.43 0.46 -0.09 0.12 9.65 -1.75 -1.98 114.38 121.21 1wek h ARG 17 Ca 0.20 -0.25 -0.13 0.00 -1.10 0.00 0.00 59.98 58.70 1wek h ARG 17 Cb 0.26 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 1wek h ARG 17 CO -0.05 0.83 -0.54 -0.07 2.80 0.00 0.00 179.97 182.94 1wek h LEU 18 N 0.37 0.28 -0.90 3.80 3.38 -1.01 -2.83 115.31 118.40 1wek h LEU 18 Ca 0.02 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1wek h LEU 18 Cb 0.96 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1wek h LEU 18 CO 0.08 0.76 -0.24 -0.26 0.09 0.00 0.00 178.44 178.88 1wek h PHE 19 N 0.20 0.00 -0.30 1.13 0.04 -0.65 -2.10 116.94 115.26 1wek h PHE 19 Ca 0.00 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.65 1wek h PHE 19 Cb 1.01 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.15 1wek h PHE 19 CO 0.02 0.24 -0.33 -0.09 -0.60 0.00 0.00 178.31 177.55 1wek h ARG 20 N 0.00 0.65 -0.69 1.51 9.65 -1.12 0.19 114.38 124.57 1wek h ARG 20 Ca -0.00 -0.30 -0.07 0.00 -1.10 0.00 0.00 59.98 58.50 1wek h ARG 20 Cb 0.85 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.39 1wek h ARG 20 CO 0.03 0.89 0.14 0.82 2.80 0.00 0.00 179.97 184.66 1wek h ILE 21 N 0.55 1.26 -0.06 1.20 2.04 -1.33 -1.51 117.51 119.67 1wek h ILE 21 Ca 0.06 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 1wek h ILE 21 Cb 0.84 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1wek h ILE 21 CO 0.07 0.38 0.01 0.25 0.00 0.00 0.00 178.15 178.87 1wek h LEU 22 N 1.06 0.09 -0.72 1.44 5.85 -1.02 -2.30 115.31 119.71 1wek h LEU 22 Ca 0.21 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.79 1wek h LEU 22 Cb 0.41 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 1wek h LEU 22 CO 0.01 0.31 0.35 0.00 -0.34 0.00 0.00 178.44 178.76 1wek h ALA 23 N 0.78 1.00 -0.38 1.25 0.00 -0.36 -0.31 119.26 121.24 1wek h ALA 23 Ca 0.02 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1wek h ALA 23 Cb 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1wek h ALA 23 CO 0.00 -0.08 -0.17 0.93 0.00 0.00 0.00 179.25 179.94 1wek h GLU 24 N 0.57 0.72 -0.54 0.00 5.08 -1.18 -1.04 114.58 118.18 1wek h GLU 24 Ca 0.36 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1wek h GLU 24 Cb 0.42 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1wek h GLU 24 CO -0.29 0.84 0.14 0.74 -1.00 0.00 0.00 179.01 179.44 1wek h PHE 25 N 0.64 0.90 0.36 4.33 0.05 -0.74 -1.82 116.94 120.66 1wek h PHE 25 Ca 0.10 -0.10 -0.02 0.00 3.82 0.00 0.00 57.97 61.77 1wek h PHE 25 Cb 0.64 -0.26 0.00 0.00 2.00 0.00 0.00 35.95 38.34 1wek h PHE 25 CO 0.03 0.78 -0.17 0.28 -0.18 0.00 0.00 178.31 179.05 1wek h VAL 26 N 0.76 0.65 -0.22 -0.55 2.07 -0.78 -1.61 116.25 116.57 1wek h VAL 26 Ca 0.17 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 1wek h VAL 26 Cb 0.33 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1wek h VAL 26 CO 0.00 0.07 -0.15 -0.33 0.02 0.00 0.00 177.57 177.19 1wek h GLU 27 N -0.70 0.37 -0.09 1.57 5.08 -1.24 -1.32 114.58 118.25 1wek h GLU 27 Ca -0.05 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 1wek h GLU 27 Cb 0.49 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1wek h GLU 27 CO 0.08 0.52 -0.17 0.78 -1.00 0.00 0.00 179.01 179.23 1wek h GLY 28 N 0.88 0.29 1.25 -3.84 0.00 -1.33 -0.84 103.07 99.48 1wek h GLY 28 Ca 0.06 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 1wek h GLY 28 CO 0.03 0.31 0.14 0.74 0.00 0.00 0.00 176.54 177.75 1wek h PHE 29 N -0.19 0.97 -0.39 5.60 0.04 -1.22 -0.74 116.94 121.00 1wek h PHE 29 Ca 0.00 -0.10 -0.06 0.00 2.80 0.00 0.00 57.97 60.61 1wek h PHE 29 Cb 0.74 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 1wek h PHE 29 CO 0.11 0.81 0.01 1.49 -0.60 0.00 0.00 178.31 180.13 1wek h GLU 30 N 0.90 0.69 -0.02 1.51 4.81 -1.21 -1.08 114.58 120.18 1wek h GLU 30 Ca 0.19 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1wek h GLU 30 Cb 0.33 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 1wek h GLU 30 CO 0.00 0.78 -0.02 1.15 -0.73 0.00 0.00 179.01 180.19 1wek h THR 31 N 0.52 1.37 -0.21 0.32 2.02 -0.95 -3.16 112.91 112.83 1wek h THR 31 Ca 0.11 -1.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.14 1wek h THR 31 Cb 0.46 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 1wek h THR 31 CO 0.02 0.30 0.02 -0.07 0.37 0.00 0.00 175.52 176.16 1wek h LEU 32 N -0.41 0.34 -1.92 2.58 3.38 -1.20 -3.19 115.31 114.90 1wek h LEU 32 Ca 0.00 -0.28 0.13 0.00 0.09 0.00 0.00 57.88 57.82 1wek h LEU 32 Cb 0.49 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1wek h LEU 32 CO 0.00 0.54 0.35 0.77 0.09 0.00 0.00 178.44 180.19 1wek h SER 33 N 0.14 0.08 0.46 -0.43 4.64 -1.28 -1.72 113.55 115.43 1wek h SER 33 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1wek h SER 33 Cb 0.35 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1wek h SER 33 CO 0.01 0.05 -0.25 -1.84 -0.87 0.00 0.00 176.83 173.92 1wek n GLU 34 N -4.42 0.42 -1.96 4.77 0.28 -1.19 -4.85 120.64 113.69 1wek n GLU 34 Ca 0.08 -0.20 -0.38 0.00 -0.16 0.00 0.00 57.16 56.50 1wek n GLU 34 Cb 0.50 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.89 1wek n GLU 34 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1wek s LEU 35 N -2.71 4.00 -0.35 -1.84 1.43 -0.65 -4.92 118.68 113.63 1wek s LEU 35 Ca 0.20 2.65 0.07 0.00 -1.03 0.00 0.00 54.13 56.02 1wek s LEU 35 Cb 0.19 -4.14 0.48 0.00 0.03 0.00 0.00 46.19 42.75 1wek s LEU 35 CO 0.56 -1.21 1.46 0.00 0.23 0.00 0.00 176.35 177.40 1wek n GLN 36 N -0.55 2.50 -3.97 1.70 6.02 -1.26 -4.97 117.38 116.84 1wek n GLN 36 Ca 0.08 -3.51 -0.09 0.00 -0.01 0.00 0.00 57.00 53.46 1wek n GLN 36 Cb 0.45 -2.03 -0.11 0.00 1.02 0.00 0.00 30.24 29.57 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 -3.91 0.12 0.39 5.09 -7.23 -1.26 -5.12 120.40 108.48 1wek s VAL 37 Ca 0.50 -0.83 -0.27 0.00 -1.81 0.00 0.00 61.98 59.57 1wek s VAL 37 Cb 0.42 -0.25 -0.11 0.00 0.56 0.00 0.00 36.38 37.01 1wek s VAL 37 CO 0.01 -0.45 1.41 -2.65 -0.31 0.00 0.00 175.10 173.11 1wek n PRO 38 N 1.74 2.38 -3.88 4.82 -0.02 -1.26 -4.65 135.00 134.12 1wek n PRO 38 Ca -0.23 0.84 -0.36 0.00 -2.02 0.00 0.00 63.50 61.73 1wek n PRO 38 Cb 0.55 -2.56 -0.12 0.00 -0.02 0.00 0.00 33.50 31.36 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 3.49 -0.18 2.45 1.43 -1.26 -0.89 118.68 121.77 1wek s LEU 39 Ca 0.56 -0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 53.47 1wek s LEU 39 Cb -0.49 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 1wek s LEU 39 CO 0.61 0.03 0.01 -0.69 0.23 0.00 0.00 176.35 176.54 1wek s VAL 40 N 1.22 4.19 0.12 -1.59 1.01 -0.12 -1.25 120.40 123.98 1wek s VAL 40 Ca 0.04 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 1wek s VAL 40 Cb -0.14 -2.87 -0.07 0.00 0.00 0.00 0.00 36.38 33.30 1wek s VAL 40 CO 0.03 0.46 0.53 -0.44 0.00 0.00 0.00 175.10 175.68 1wek s SER 41 N 0.58 6.85 -0.02 3.32 0.01 -0.71 -0.32 113.70 123.41 1wek s SER 41 Ca -0.00 1.08 0.01 0.00 1.31 0.00 0.00 55.95 58.35 1wek s SER 41 Cb -0.14 -2.29 0.01 0.00 0.21 0.00 0.00 66.02 63.81 1wek s SER 41 CO 0.02 0.15 -0.03 -0.69 0.41 0.00 0.00 173.24 173.10 1wek s VAL 42 N -1.37 0.32 0.03 3.43 1.01 0.92 -1.17 120.40 123.56 1wek s VAL 42 Ca 0.35 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1wek s VAL 42 Cb -0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 1wek s VAL 42 CO 0.19 0.13 -0.07 0.12 0.00 0.00 0.00 175.10 175.46 1wek s PHE 43 N 0.34 0.64 0.11 5.22 5.36 -0.78 -4.20 117.98 124.67 1wek s PHE 43 Ca -0.03 -0.35 -0.26 0.00 -0.96 0.00 0.00 56.93 55.33 1wek s PHE 43 Cb -0.07 -0.39 0.08 0.00 -0.34 0.00 0.00 43.02 42.31 1wek s PHE 43 CO -0.01 -0.05 1.10 0.20 -1.46 0.00 0.00 175.22 175.01 1wek s GLY 44 N -1.04 -0.14 0.21 13.12 0.00 -1.26 -1.32 107.32 116.88 1wek s GLY 44 Ca -0.05 0.09 -0.32 0.00 0.00 0.00 0.00 44.72 44.44 1wek s GLY 44 CO 0.00 1.50 1.23 -1.26 0.00 0.00 0.00 173.10 174.57 1wek n SER 45 N -0.80 1.82 0.05 1.64 2.88 -0.52 -4.76 113.62 113.93 1wek n SER 45 Ca -0.04 1.15 0.13 0.00 -1.33 0.00 0.00 58.87 58.77 1wek n SER 45 Cb 0.61 -1.30 0.33 0.00 -0.75 0.00 0.00 64.21 63.10 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 1.50 2.78 0.03 -1.46 0.00 -1.26 -1.14 120.51 120.96 1wek n ALA 46 Ca 0.13 -0.19 0.08 0.00 0.00 0.00 0.00 53.44 53.47 1wek n ALA 46 Cb 0.28 -1.29 -0.09 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.91 0.63 -2.69 0.00 1.74 -1.26 -3.01 116.66 110.17 1wek n ARG 47 Ca 0.05 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.71 1wek n ARG 47 Cb 0.40 -1.68 -0.03 0.00 -1.02 0.00 0.00 32.46 30.12 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 -3.30 2.73 0.46 -1.55 2.99 -1.26 -4.86 117.98 113.19 1wek s PHE 48 Ca -0.04 -1.01 -0.08 0.00 0.00 0.00 0.00 56.93 55.79 1wek s PHE 48 Cb 0.11 -4.55 0.11 0.00 0.00 0.00 0.00 43.02 38.68 1wek s PHE 48 CO 0.84 -1.78 0.59 0.41 -0.00 0.00 0.00 175.22 175.28 1wek n GLY 49 N 6.37 -1.46 3.69 4.36 0.00 -1.26 -2.81 105.19 114.08 1wek n GLY 49 Ca 0.29 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 1wek n GLY 49 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wek n GLU 50 N -2.36 2.01 0.00 1.61 0.28 -1.26 -2.02 120.64 118.90 1wek n GLU 50 Ca 0.07 0.71 0.00 0.00 -0.16 0.00 0.00 57.16 57.78 1wek n GLU 50 Cb 0.26 -2.30 0.00 0.00 1.43 0.00 0.00 31.44 30.84 1wek n GLU 50 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1wek n GLY 51 N 0.82 2.11 3.77 -1.84 0.00 -1.26 -5.07 105.19 103.73 1wek n GLY 51 Ca 0.06 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 1wek n GLY 51 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wek s HIS 52 N -1.52 3.43 0.47 1.61 3.76 -0.86 -4.96 115.29 117.22 1wek s HIS 52 Ca 0.00 1.69 0.14 0.00 -0.15 0.00 0.00 55.06 56.73 1wek s HIS 52 Cb 0.00 -3.13 1.08 0.00 1.11 0.00 0.00 32.58 31.63 1wek s HIS 52 CO 0.00 -0.45 2.06 -1.35 -0.85 0.00 0.00 174.74 174.15 1wek h PRO 53 N 2.98 0.10 -0.19 8.40 0.11 -1.96 -1.97 132.00 139.46 1wek h PRO 53 Ca -0.48 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 1wek h PRO 53 Cb 1.21 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1wek h PRO 53 CO 0.64 0.15 -0.48 0.00 -0.21 0.00 0.00 178.00 178.09 1wek h ALA 54 N 1.87 0.80 -0.19 -0.75 0.00 -1.92 -1.45 119.26 117.61 1wek h ALA 54 Ca 0.02 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1wek h ALA 54 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1wek h ALA 54 CO 0.01 0.67 -0.02 -0.92 0.00 0.00 0.00 179.25 178.98 1wek h TYR 55 N 0.41 0.38 -0.35 0.00 3.20 -1.58 0.29 116.97 119.33 1wek h TYR 55 Ca 0.02 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.82 1wek h TYR 55 Cb 1.00 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 1wek h TYR 55 CO 0.04 0.57 0.22 1.49 -1.64 0.00 0.00 178.16 178.84 1wek h GLU 56 N 0.09 0.45 -0.79 1.82 4.57 -1.36 0.17 114.58 119.53 1wek h GLU 56 Ca 0.05 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.24 1wek h GLU 56 Cb 0.43 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.87 1wek h GLU 56 CO 0.01 0.29 0.50 0.00 -1.18 0.00 0.00 179.01 178.63 1wek h ALA 57 N 1.13 1.04 -0.37 2.92 0.00 -1.06 -1.16 119.26 121.76 1wek h ALA 57 Ca 0.13 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1wek h ALA 57 Cb -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1wek h ALA 57 CO -0.04 0.30 -0.20 0.78 0.00 0.00 0.00 179.25 180.08 1wek h GLY 58 N 0.96 0.78 0.89 0.00 0.00 0.26 -1.58 103.07 104.38 1wek h GLY 58 Ca 0.32 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1wek h GLY 58 CO -0.12 0.58 0.08 -1.82 0.00 0.00 0.00 176.54 175.26 1wek h TYR 59 N 0.63 0.31 -0.26 5.60 3.20 0.01 -2.41 116.97 124.05 1wek h TYR 59 Ca 0.09 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.85 1wek h TYR 59 Cb 0.69 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1wek h TYR 59 CO 0.03 0.36 -0.21 0.00 -1.64 0.00 0.00 178.16 176.70 1wek h ARG 60 N 0.17 0.48 -0.22 1.82 3.08 -1.18 -2.39 114.38 116.15 1wek h ARG 60 Ca 0.07 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1wek h ARG 60 Cb 0.18 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1wek h ARG 60 CO -0.01 0.67 0.05 1.25 -1.07 0.00 0.00 179.97 180.87 1wek h LEU 61 N 0.43 0.33 -0.61 3.04 5.85 -1.14 -1.43 115.31 121.78 1wek h LEU 61 Ca 0.07 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 1wek h LEU 61 Cb 0.61 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1wek h LEU 61 CO 0.04 0.48 0.18 1.23 -0.34 0.00 0.00 178.44 180.03 1wek h GLY 62 N 0.17 1.03 0.62 3.75 0.00 -1.37 0.66 103.07 107.92 1wek h GLY 62 Ca 0.07 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 1wek h GLY 62 CO 0.00 0.57 -0.46 -0.09 0.00 0.00 0.00 176.54 176.57 1wek h ARG 63 N 0.87 -0.94 -0.67 4.80 2.43 -1.21 0.20 114.38 119.87 1wek h ARG 63 Ca 0.20 0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.45 1wek h ARG 63 Cb 0.30 0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 1wek h ARG 63 CO -0.00 -0.63 0.44 0.00 -1.51 0.00 0.00 179.97 178.27 1wek h ALA 64 N -0.75 1.56 0.08 2.80 0.00 -1.17 0.04 119.26 121.82 1wek h ALA 64 Ca -0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1wek h ALA 64 Cb 0.84 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1wek h ALA 64 CO -0.03 0.39 -0.04 1.25 0.00 0.00 0.00 179.25 180.83 1wek h LEU 65 N 0.86 -0.09 -0.87 0.00 5.85 -0.40 -0.41 115.31 120.26 1wek h LEU 65 Ca 0.25 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1wek h LEU 65 Cb -0.04 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1wek h LEU 65 CO -0.06 0.03 0.57 0.00 -0.34 0.00 0.00 178.44 178.64 1wek h ALA 66 N 0.71 1.11 0.00 1.25 0.00 -0.04 -1.27 119.26 121.01 1wek h ALA 66 Ca -0.01 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1wek h ALA 66 Cb 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1wek h ALA 66 CO 0.02 0.47 -0.28 0.93 0.00 0.00 0.00 179.25 180.39 1wek h GLU 67 N 1.15 0.00 -0.19 0.00 5.08 -0.71 -2.25 114.58 117.66 1wek h GLU 67 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1wek h GLU 67 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1wek h GLU 67 CO -0.08 0.28 0.00 0.00 -1.00 0.00 0.00 179.01 178.21 1wek n ALA 68 N -2.31 2.51 -0.79 3.43 0.00 -0.19 -4.91 120.51 118.26 1wek n ALA 68 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1wek n ALA 68 Cb 0.41 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 1.04 0.54 3.92 0.00 0.00 -0.84 -5.06 105.19 104.78 1wek n GLY 69 Ca 0.14 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.00 3.40 0.21 1.61 0.40 -0.53 -4.30 117.98 116.77 1wek s PHE 70 Ca 0.00 0.05 0.05 0.00 -0.60 0.00 0.00 56.93 56.43 1wek s PHE 70 Cb 0.00 -1.60 -0.03 0.00 0.51 0.00 0.00 43.02 41.89 1wek s PHE 70 CO 0.00 0.50 0.24 0.20 0.70 0.00 0.00 175.22 176.86 1wek s GLY 71 N -3.41 1.49 0.05 4.36 0.00 -0.07 -3.87 107.32 105.87 1wek s GLY 71 Ca 0.34 -1.25 0.09 0.00 0.00 0.00 0.00 44.72 43.90 1wek s GLY 71 CO 0.27 -1.26 -0.23 -1.34 0.00 0.00 0.00 173.10 170.54 1wek s VAL 72 N -1.92 2.39 -0.18 1.40 -7.23 -0.98 -0.94 120.40 112.94 1wek s VAL 72 Ca 0.33 -1.35 -0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1wek s VAL 72 Cb -0.09 -1.97 0.04 0.00 0.56 0.00 0.00 36.38 34.92 1wek s VAL 72 CO 0.26 0.33 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.63 1wek s VAL 73 N -0.87 1.26 0.43 1.32 1.01 0.57 -0.21 120.40 123.90 1wek s VAL 73 Ca 0.13 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1wek s VAL 73 Cb -0.10 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1wek s VAL 73 CO 0.04 0.13 0.00 0.35 0.00 0.00 0.00 175.10 175.62 1wek n THR 74 N 4.82 0.00 1.32 3.92 -2.24 -0.50 -0.06 114.28 121.55 1wek n THR 74 Ca -0.13 -2.01 0.14 0.00 -2.27 0.00 0.00 64.05 59.79 1wek n THR 74 Cb 0.47 0.40 0.67 0.00 -2.10 0.00 0.00 70.33 69.77 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 -0.09 -1.24 2.69 3.38 0.00 -1.26 -0.76 105.19 107.91 1wek n GLY 75 Ca -0.18 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 1.33 0.54 0.00 -0.02 0.00 -1.26 -3.02 105.19 102.77 1wek n GLY 76 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 -0.18 0.00 -0.02 0.00 -1.26 -2.52 105.19 99.20 1wek n GLY 77 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 0.79 0.00 1.61 -0.02 -1.26 -2.81 135.00 133.31 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 2.78 1.52 -1.23 0.00 -1.16 -3.04 105.19 109.05 1wek n GLY 79 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.29 -1.51 118.33 118.45 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 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 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 1.23 0.00 -0.22 5.55 2.13 -1.12 -0.91 120.64 127.29 1wek n GLU 82 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1wek n GLU 82 Cb 0.00 0.00 0.12 0.00 0.27 0.00 0.00 31.44 31.83 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 0.88 0.10 4.31 0.00 -1.58 0.27 119.26 123.24 1wek h ALA 83 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1wek h ALA 83 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1wek h ALA 83 CO 0.00 -0.13 -0.05 0.28 0.00 0.00 0.00 179.25 179.35 1wek h VAL 84 N 0.49 1.04 -0.28 0.00 2.07 -1.07 -0.32 116.25 118.18 1wek h VAL 84 Ca 0.33 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.35 1wek h VAL 84 Cb 0.39 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1wek h VAL 84 CO -0.29 0.13 0.05 0.78 0.02 0.00 0.00 177.57 178.26 1wek h ASN 85 N -0.39 0.01 0.03 0.57 4.21 -1.76 -1.91 115.58 116.33 1wek h ASN 85 Ca -0.01 0.05 0.03 0.00 1.21 0.00 0.00 56.30 57.57 1wek h ASN 85 Cb 0.32 0.06 -0.04 0.00 -1.12 0.00 0.00 38.32 37.55 1wek h ASN 85 CO 0.02 0.04 -0.23 -0.09 -1.29 0.00 0.00 177.43 175.88 1wek h ARG 86 N 0.16 -0.36 -0.75 0.81 2.43 -0.40 0.51 114.38 116.78 1wek h ARG 86 Ca 0.13 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.41 1wek h ARG 86 Cb 0.14 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.72 1wek h ARG 86 CO -0.18 -0.24 0.49 0.78 -1.51 0.00 0.00 179.97 179.32 1wek h GLY 87 N -0.37 0.96 0.53 2.80 0.00 -0.80 0.15 103.07 106.33 1wek h GLY 87 Ca 0.05 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 1wek h GLY 87 CO -0.19 0.18 -0.37 0.00 0.00 0.00 0.00 176.54 176.16 1wek h ALA 88 N 1.61 0.03 -0.11 3.60 0.00 -0.76 -2.90 119.26 120.74 1wek h ALA 88 Ca 0.34 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1wek h ALA 88 Cb 0.40 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1wek h ALA 88 CO -0.12 0.17 -0.02 -0.92 0.00 0.00 0.00 179.25 178.36 1wek h TYR 89 N -0.41 -0.05 0.00 0.00 3.20 0.47 -0.97 116.97 119.21 1wek h TYR 89 Ca -0.05 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1wek h TYR 89 Cb 1.14 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.45 1wek h TYR 89 CO 0.18 -0.04 0.00 0.39 -1.64 0.00 0.00 178.16 177.05 1wek n GLU 90 N -5.14 0.15 -0.41 1.82 1.02 0.47 -1.89 120.64 116.66 1wek n GLU 90 Ca -0.05 0.18 0.08 0.00 -0.02 0.00 0.00 57.16 57.36 1wek n GLU 90 Cb 0.08 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.26 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 -1.33 2.69 -1.00 0.62 0.00 -0.81 -4.93 120.51 115.74 1wek n ALA 91 Ca 0.06 -1.57 -0.00 0.00 0.00 0.00 0.00 53.44 51.93 1wek n ALA 91 Cb 0.12 -0.74 -0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 0.60 0.48 3.95 0.00 0.00 -0.79 -4.76 105.19 104.67 1wek n GLY 92 Ca 0.20 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.16 1.74 0.13 -0.02 0.00 -0.44 -5.02 107.32 101.55 1wek s GLY 93 Ca 0.00 -1.12 -0.30 0.00 0.00 0.00 0.00 44.72 43.30 1wek s GLY 93 CO 0.00 -0.80 1.03 0.14 0.00 0.00 0.00 173.10 173.46 1wek s VAL 94 N -2.92 4.23 -0.22 1.40 1.01 -1.26 -4.40 120.40 118.24 1wek s VAL 94 Ca 0.57 1.86 -0.03 0.00 0.00 0.00 0.00 61.98 64.38 1wek s VAL 94 Cb -0.10 -4.19 0.07 0.00 0.00 0.00 0.00 36.38 32.16 1wek s VAL 94 CO 0.41 0.29 0.08 -0.55 0.00 0.00 0.00 175.10 175.33 1wek s SER 95 N 0.02 2.97 -0.09 3.32 0.15 -1.26 -2.32 113.70 116.49 1wek s SER 95 Ca 0.49 -0.93 -0.07 0.00 0.70 0.00 0.00 55.95 56.14 1wek s SER 95 Cb -0.26 -0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 63.54 1wek s SER 95 CO 0.32 -0.36 0.17 -0.69 1.20 0.00 0.00 173.24 173.88 1wek s VAL 96 N 1.96 5.46 -0.13 4.45 1.01 0.71 -0.03 120.40 133.82 1wek s VAL 96 Ca 0.03 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1wek s VAL 96 Cb -0.17 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.79 1wek s VAL 96 CO -0.15 0.56 -0.12 -0.83 0.00 0.00 0.00 175.10 174.56 1wek s GLY 97 N -1.21 1.02 -1.18 4.51 0.00 -0.55 -1.41 107.32 108.51 1wek s GLY 97 Ca 0.18 -0.77 -0.06 0.00 0.00 0.00 0.00 44.72 44.07 1wek s GLY 97 CO 0.07 0.62 1.81 1.04 0.00 0.00 0.00 173.10 176.64 1wek n LEU 98 N 4.82 6.90 -4.65 0.66 4.77 0.06 -1.19 117.00 128.38 1wek n LEU 98 Ca -0.15 -5.00 -0.48 0.00 -0.03 0.00 0.00 56.01 50.35 1wek n LEU 98 Cb 0.50 -1.34 -0.05 0.00 -2.33 0.00 0.00 43.42 40.20 1wek n LEU 98 CO 0.20 1.70 1.11 0.59 -1.33 0.00 0.00 177.39 179.66 1wek n ASN 99 N 2.02 2.69 -4.68 -1.43 4.13 -0.57 -4.59 115.26 112.83 1wek n ASN 99 Ca 0.39 1.09 -0.35 0.00 1.68 0.00 0.00 54.58 57.40 1wek n ASN 99 Cb 0.32 -1.36 -0.09 0.00 -1.54 0.00 0.00 39.78 37.11 1wek n ASN 99 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1wek s ILE 100 N 0.80 4.91 -0.91 2.41 1.10 -1.26 -1.06 121.20 127.19 1wek s ILE 100 Ca 0.80 0.00 -0.23 0.00 -0.51 0.00 0.00 60.65 60.71 1wek s ILE 100 Cb -0.76 -3.19 0.06 0.00 0.15 0.00 0.00 42.46 38.72 1wek s ILE 100 CO 0.40 0.50 1.32 -1.61 -2.11 0.00 0.00 174.94 173.44 1wek s GLU 101 N 0.04 3.45 -0.30 3.50 2.02 0.29 -4.91 118.70 122.79 1wek s GLU 101 Ca 0.06 -0.97 -0.18 0.00 0.02 0.00 0.00 54.97 53.90 1wek s GLU 101 Cb -0.12 -4.91 0.18 0.00 0.10 0.00 0.00 34.13 29.38 1wek s GLU 101 CO 0.01 -2.10 1.24 -2.14 0.02 0.00 0.00 175.26 172.28 1wek s PRO 108 N 4.76 0.06 0.53 0.39 0.02 -1.26 -4.93 135.00 134.57 1wek s PRO 108 Ca 0.39 0.12 -0.20 0.00 0.02 0.00 0.00 61.00 61.34 1wek s PRO 108 Cb -0.04 0.07 -0.08 0.00 0.02 0.00 0.00 34.50 34.47 1wek s PRO 108 CO -0.02 -0.04 0.81 0.27 -0.33 0.00 0.00 177.00 177.69 1wek n ASN 109 N 4.98 0.20 0.00 2.53 6.94 -1.05 -4.86 115.26 124.00 1wek n ASN 109 Ca -0.08 0.85 0.07 0.00 -0.02 0.00 0.00 54.58 55.40 1wek n ASN 109 Cb 0.55 -1.29 0.41 0.00 -2.36 0.00 0.00 39.78 37.09 1wek n ASN 109 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 1wek n PRO 110 N -0.30 0.70 -2.00 -0.53 -0.02 -1.26 -4.13 135.00 127.46 1wek n PRO 110 Ca 0.12 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.25 1wek n PRO 110 Cb 0.45 -1.30 0.03 0.00 -0.02 0.00 0.00 33.50 32.66 1wek n PRO 110 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1wek n TYR 111 N -0.80 3.12 -4.08 6.00 4.02 -1.26 -4.95 117.16 119.21 1wek n TYR 111 Ca 0.10 -2.63 -0.32 0.00 -0.01 0.00 0.00 57.90 55.05 1wek n TYR 111 Cb 0.05 -0.87 -0.15 0.00 -0.02 0.00 0.00 39.34 38.34 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 -3.87 2.50 0.48 -0.72 -0.21 -1.26 -4.32 119.66 112.26 1wek s GLN 112 Ca 0.53 -1.10 0.27 0.00 0.02 0.00 0.00 55.36 55.08 1wek s GLN 112 Cb 0.44 -2.72 1.07 0.00 1.00 0.00 0.00 33.01 32.80 1wek s GLN 112 CO -0.27 -0.42 1.88 1.79 -2.12 0.00 0.00 175.29 176.15 1wek h THR 113 N 6.41 0.40 -3.40 -0.19 1.35 -0.79 -3.41 112.91 113.28 1wek h THR 113 Ca -0.30 -0.92 -0.32 0.00 -0.55 0.00 0.00 66.41 64.32 1wek h THR 113 Cb 1.08 1.67 -0.36 0.00 -1.73 0.00 0.00 68.15 68.82 1wek h THR 113 CO 0.53 0.15 -0.72 -1.00 -0.25 0.00 0.00 175.52 174.23 1wek s HIS 114 N -3.69 0.02 -0.15 4.73 3.76 -1.03 -4.96 115.29 113.97 1wek s HIS 114 Ca 0.01 0.22 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 1wek s HIS 114 Cb 0.10 -0.33 0.02 0.00 1.11 0.00 0.00 32.58 33.48 1wek s HIS 114 CO 0.61 -0.14 -0.15 0.00 -0.85 0.00 0.00 174.74 174.21 1wek s ALA 115 N 1.57 1.90 -0.04 -1.40 0.00 -1.26 -1.48 121.76 121.05 1wek s ALA 115 Ca -0.03 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 1wek s ALA 115 Cb -0.12 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1wek s ALA 115 CO -0.03 -0.37 0.06 -0.51 0.00 0.00 0.00 175.76 174.91 1wek s LEU 116 N 1.45 3.86 -0.26 0.00 2.01 -0.33 -5.00 118.68 120.40 1wek s LEU 116 Ca 0.05 0.17 -0.02 0.00 0.01 0.00 0.00 54.13 54.34 1wek s LEU 116 Cb -0.13 -2.13 0.03 0.00 0.01 0.00 0.00 46.19 43.97 1wek s LEU 116 CO -0.11 0.31 -0.03 -0.44 1.01 0.00 0.00 176.35 177.10 1wek s SER 117 N -1.44 4.52 0.09 2.29 0.01 -1.26 -1.51 113.70 116.40 1wek s SER 117 Ca 0.19 -0.91 0.08 0.00 1.31 0.00 0.00 55.95 56.62 1wek s SER 117 Cb -0.12 -1.70 -0.03 0.00 0.21 0.00 0.00 66.02 64.38 1wek s SER 117 CO 0.10 -0.16 -0.21 -0.76 0.41 0.00 0.00 173.24 172.62 1wek s LEU 118 N 1.34 2.27 -0.14 2.44 1.02 -0.23 -4.99 118.68 120.40 1wek s LEU 118 Ca -0.00 -0.65 0.07 0.00 0.02 0.00 0.00 54.13 53.57 1wek s LEU 118 Cb -0.17 -0.91 -0.14 0.00 0.02 0.00 0.00 46.19 44.99 1wek s LEU 118 CO -0.03 0.09 -0.03 0.54 0.02 0.00 0.00 176.35 176.94 1wek n ARG 119 N 1.26 1.34 -3.22 1.70 1.74 -1.26 0.11 116.66 118.33 1wek n ARG 119 Ca -0.19 0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.52 1wek n ARG 119 Cb 0.53 -1.32 -0.07 0.00 -1.02 0.00 0.00 32.46 30.58 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 -2.31 3.21 0.20 -1.55 1.51 -1.26 -4.72 117.35 112.42 1wek s TYR 120 Ca -0.12 0.40 -0.11 0.00 -1.01 0.00 0.00 57.07 56.23 1wek s TYR 120 Cb 0.04 -2.88 0.20 0.00 -0.11 0.00 0.00 41.96 39.22 1wek s TYR 120 CO 0.46 -0.45 1.79 0.27 -1.11 0.00 0.00 175.55 176.51 1wek h PHE 121 N 8.28 0.55 0.00 2.71 -5.15 -2.00 -2.23 116.94 119.09 1wek h PHE 121 Ca -0.28 0.02 -0.01 0.00 -0.20 0.00 0.00 57.97 57.50 1wek h PHE 121 Cb 1.13 -0.16 -0.00 0.00 0.22 0.00 0.00 35.95 37.14 1wek h PHE 121 CO 0.74 0.25 -0.04 0.27 -2.00 0.00 0.00 178.31 177.53 1wek h PHE 122 N 0.56 0.00 -0.04 6.09 -5.15 -1.99 -0.37 116.94 116.04 1wek h PHE 122 Ca 0.27 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 58.01 1wek h PHE 122 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.36 1wek h PHE 122 CO -0.10 0.04 -0.10 0.28 -2.00 0.00 0.00 178.31 176.43 1wek h VAL 123 N 0.00 1.45 -0.93 0.88 2.07 -1.83 -2.67 116.25 115.23 1wek h VAL 123 Ca -0.00 -1.49 0.10 0.00 0.82 0.00 0.00 66.70 66.13 1wek h VAL 123 Cb 0.09 2.35 -0.07 0.00 -1.52 0.00 0.00 31.29 32.15 1wek h VAL 123 CO 0.01 0.40 0.60 -0.09 0.02 0.00 0.00 177.57 178.51 1wek h ARG 124 N -0.42 0.91 -0.19 1.57 2.43 -1.13 -0.12 114.38 117.43 1wek h ARG 124 Ca -0.00 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 1wek h ARG 124 Cb 0.71 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1wek h ARG 124 CO 0.02 0.60 -0.13 0.87 -1.51 0.00 0.00 179.97 179.83 1wek h LYS 125 N 0.94 0.31 -0.11 0.20 1.57 -1.02 0.18 116.57 118.64 1wek h LYS 125 Ca 0.43 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 59.04 1wek h LYS 125 Cb 0.40 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1wek h LYS 125 CO -0.19 0.45 -0.30 0.28 -0.57 0.00 0.00 179.45 179.11 1wek h VAL 126 N 0.30 1.38 -0.27 0.50 2.07 -0.70 -3.19 116.25 116.33 1wek h VAL 126 Ca 0.06 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 1wek h VAL 126 Cb 0.41 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1wek h VAL 126 CO 0.02 0.47 0.11 -0.07 0.02 0.00 0.00 177.57 178.13 1wek h LEU 127 N -0.02 0.34 -1.61 2.57 3.38 -1.01 0.16 115.31 119.12 1wek h LEU 127 Ca -0.01 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1wek h LEU 127 Cb 0.91 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1wek h LEU 127 CO 0.07 0.31 -0.14 -0.26 0.09 0.00 0.00 178.44 178.51 1wek h PHE 128 N 0.38 0.07 0.00 1.13 0.05 -0.95 -3.31 116.94 114.31 1wek h PHE 128 Ca 0.10 -0.01 -0.06 0.00 3.82 0.00 0.00 57.97 61.82 1wek h PHE 128 Cb 0.08 -0.02 -0.01 0.00 2.00 0.00 0.00 35.95 38.00 1wek h PHE 128 CO 0.00 0.21 -1.52 1.33 -0.18 0.00 0.00 178.31 178.15 1wek n VAL 129 N -4.34 0.21 -0.31 -0.55 0.24 -0.83 -4.44 118.33 108.31 1wek n VAL 129 Ca -0.02 -0.29 0.17 0.00 -2.04 0.00 0.00 64.34 62.16 1wek n VAL 129 Cb 0.23 -0.07 0.36 0.00 -1.47 0.00 0.00 33.84 32.89 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 0.26 -0.06 7.34 9.65 -0.80 -1.86 114.38 128.91 1wek h ARG 130 Ca -0.08 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 1wek h ARG 130 Cb 0.83 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 1wek h ARG 130 CO 0.00 0.17 0.00 0.66 2.80 0.00 0.00 179.97 183.61 1wek n TYR 131 N -5.15 0.17 -2.04 2.20 4.02 -1.26 -5.02 117.16 110.08 1wek n TYR 131 Ca 0.25 -0.82 -0.41 0.00 -0.01 0.00 0.00 57.90 56.91 1wek n TYR 131 Cb 0.79 -0.14 -0.02 0.00 -0.02 0.00 0.00 39.34 39.95 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 -2.28 3.62 -0.28 -0.72 0.00 -0.70 -4.16 121.76 117.24 1wek s ALA 132 Ca 0.25 1.29 0.11 0.00 0.00 0.00 0.00 51.96 53.61 1wek s ALA 132 Cb 0.21 -3.55 -0.14 0.00 0.00 0.00 0.00 23.12 19.64 1wek s ALA 132 CO 0.04 -0.71 0.35 0.28 0.00 0.00 0.00 175.76 175.72 1wek n VAL 133 N 2.51 0.00 -3.60 0.00 0.31 -0.38 -4.87 118.33 112.29 1wek n VAL 133 Ca 0.07 -0.25 -0.06 0.00 -0.01 0.00 0.00 64.34 64.10 1wek n VAL 133 Cb 0.41 0.65 -0.02 0.00 -0.91 0.00 0.00 33.84 33.97 1wek n VAL 133 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1wek s GLY 134 N -2.58 -0.37 -0.09 2.92 0.00 -1.25 -4.00 107.32 101.93 1wek s GLY 134 Ca 0.00 0.82 -0.04 0.00 0.00 0.00 0.00 44.72 45.50 1wek s GLY 134 CO 0.44 0.25 0.20 -0.12 0.00 0.00 0.00 173.10 173.87 1wek s PHE 135 N -3.01 -0.27 -0.09 1.90 5.99 -0.35 -1.74 117.98 120.41 1wek s PHE 135 Ca 0.08 0.71 0.03 0.00 0.00 0.00 0.00 56.93 57.75 1wek s PHE 135 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 43.02 42.91 1wek s PHE 135 CO -0.05 -0.26 -0.20 0.08 -0.00 0.00 0.00 175.22 174.79 1wek s VAL 136 N 1.83 2.46 -0.14 3.12 1.01 -0.32 -0.51 120.40 127.84 1wek s VAL 136 Ca -0.03 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1wek s VAL 136 Cb -0.12 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.31 1wek s VAL 136 CO -0.07 0.56 -0.18 -0.36 0.00 0.00 0.00 175.10 175.05 1wek s PHE 137 N 0.05 2.72 0.36 5.22 0.40 0.96 -1.86 117.98 125.84 1wek s PHE 137 Ca -0.08 -1.08 0.07 0.00 -0.60 0.00 0.00 56.93 55.24 1wek s PHE 137 Cb -0.15 -1.84 -0.02 0.00 0.51 0.00 0.00 43.02 41.52 1wek s PHE 137 CO 0.05 -0.48 0.34 -0.51 0.70 0.00 0.00 175.22 175.33 1wek s LEU 138 N 0.70 3.58 0.11 -0.37 1.43 -0.43 -0.36 118.68 123.35 1wek s LEU 138 Ca -0.08 -0.53 -0.35 0.00 -1.03 0.00 0.00 54.13 52.14 1wek s LEU 138 Cb -0.16 -2.24 -0.17 0.00 0.03 0.00 0.00 46.19 43.65 1wek s LEU 138 CO 0.01 -0.46 1.08 -2.65 0.23 0.00 0.00 176.35 174.57 1wek n PRO 139 N -1.47 0.68 -0.50 1.29 -0.02 -1.25 -4.41 135.00 129.32 1wek n PRO 139 Ca 0.00 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1wek n PRO 139 Cb 0.60 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 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 1.95 2.35 0.00 -1.23 0.00 -1.26 -1.43 105.19 105.57 1wek n GLY 140 Ca 0.17 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 4.08 0.10 -0.02 0.00 -1.26 -4.88 105.19 103.21 1wek n GLY 141 Ca 0.00 -1.34 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 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 0.10 -0.88 1.61 0.05 -2.01 -1.70 116.94 114.12 1wek h PHE 142 Ca 0.00 0.01 0.11 0.00 3.82 0.00 0.00 57.97 61.91 1wek h PHE 142 Cb 0.00 -0.02 -0.08 0.00 2.00 0.00 0.00 35.95 37.85 1wek h PHE 142 CO 0.00 0.05 0.51 0.78 -0.18 0.00 0.00 178.31 179.47 1wek h GLY 143 N 0.14 1.40 1.33 -1.45 0.00 -1.97 0.31 103.07 102.84 1wek h GLY 143 Ca 0.08 -0.33 -0.16 0.00 0.00 0.00 0.00 47.33 46.92 1wek h GLY 143 CO -0.09 0.10 -0.49 -0.84 0.00 0.00 0.00 176.54 175.22 1wek h THR 144 N 0.81 1.30 -0.40 4.70 2.02 -1.81 -1.92 112.91 117.60 1wek h THR 144 Ca 0.44 -1.69 -0.15 0.00 0.77 0.00 0.00 66.41 65.78 1wek h THR 144 Cb 0.47 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1wek h THR 144 CO -0.28 0.54 -0.33 0.25 0.37 0.00 0.00 175.52 176.07 1wek h LEU 145 N 0.56 0.99 -0.49 2.58 6.46 -0.55 -1.77 115.31 123.09 1wek h LEU 145 Ca 0.03 -0.45 0.01 0.00 -0.12 0.00 0.00 57.88 57.35 1wek h LEU 145 Cb 1.05 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.67 1wek h LEU 145 CO 0.10 1.23 0.32 -0.78 -0.62 0.00 0.00 178.44 178.68 1wek h ASP 146 N 0.76 0.53 -0.06 1.25 3.58 -0.34 -1.14 116.42 121.01 1wek h ASP 146 Ca 0.07 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.43 1wek h ASP 146 Cb 0.92 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.85 1wek h ASP 146 CO 0.09 0.38 -0.31 -0.08 -2.88 0.00 0.00 179.24 176.44 1wek h GLU 147 N 0.64 0.32 0.30 0.28 4.57 -1.30 -2.90 114.58 116.50 1wek h GLU 147 Ca 0.19 -0.26 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1wek h GLU 147 Cb -0.05 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 1wek h GLU 147 CO -0.06 0.90 -0.26 1.25 -1.18 0.00 0.00 179.01 179.66 1wek h LEU 148 N -0.19 -0.70 -2.09 1.64 5.85 -1.29 -1.08 115.31 117.46 1wek h LEU 148 Ca -0.02 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1wek h LEU 148 Cb 0.96 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 1wek h LEU 148 CO 0.06 -0.39 0.02 0.77 -0.34 0.00 0.00 178.44 178.57 1wek h SER 149 N -0.59 0.00 -0.06 1.25 4.64 -1.31 -1.04 113.55 116.45 1wek h SER 149 Ca -0.02 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.08 1wek h SER 149 Cb 0.52 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1wek h SER 149 CO -0.03 0.00 -0.82 -0.08 -0.87 0.00 0.00 176.83 175.03 1wek h GLU 150 N 0.00 0.65 -0.40 4.77 4.81 -1.23 -2.37 114.58 120.81 1wek h GLU 150 Ca 0.01 -0.63 0.02 0.00 -0.13 0.00 0.00 59.36 58.64 1wek h GLU 150 Cb 0.06 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1wek h GLU 150 CO -0.00 1.23 0.22 0.28 -0.73 0.00 0.00 179.01 180.02 1wek h VAL 151 N 0.31 1.02 -0.78 0.32 2.07 -0.33 -0.97 116.25 117.89 1wek h VAL 151 Ca -0.09 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1wek h VAL 151 Cb 1.48 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 1wek h VAL 151 CO 0.16 0.08 0.47 -0.07 0.02 0.00 0.00 177.57 178.24 1wek h LEU 152 N 0.45 0.93 -0.37 2.57 3.38 -1.23 0.14 115.31 121.19 1wek h LEU 152 Ca 0.16 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1wek h LEU 152 Cb 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1wek h LEU 152 CO -0.09 0.71 0.05 0.58 0.09 0.00 0.00 178.44 179.78 1wek h VAL 153 N 1.07 1.24 -0.57 1.22 2.07 -0.89 0.15 116.25 120.54 1wek h VAL 153 Ca 0.28 -0.87 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 1wek h VAL 153 Cb -0.05 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1wek h VAL 153 CO -0.05 0.29 0.09 -0.07 0.02 0.00 0.00 177.57 177.85 1wek h LEU 154 N 0.46 0.87 -0.12 2.57 3.38 -0.65 0.96 115.31 122.77 1wek h LEU 154 Ca 0.11 -0.19 -0.24 0.00 0.09 0.00 0.00 57.88 57.66 1wek h LEU 154 Cb 0.37 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.91 1wek h LEU 154 CO 0.01 0.88 -0.90 -0.07 0.09 0.00 0.00 178.44 178.45 1wek h LEU 155 N 0.87 0.86 0.03 1.67 3.38 -0.57 0.18 115.31 121.72 1wek h LEU 155 Ca 0.18 -0.62 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 1wek h LEU 155 Cb 0.39 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1wek h LEU 155 CO 0.01 1.42 -0.02 -0.61 0.09 0.00 0.00 178.44 179.33 1wek h GLN 156 N 0.43 -0.04 -0.15 1.13 4.15 -0.50 -2.84 115.11 117.30 1wek h GLN 156 Ca -0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1wek h GLN 156 Cb 1.53 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.23 1wek h GLN 156 CO 0.18 0.16 0.00 0.25 -1.93 0.00 0.00 178.83 177.49 1wek n THR 157 N -5.02 0.19 -3.51 2.39 -2.24 0.31 -4.95 114.28 101.46 1wek n THR 157 Ca -0.08 -0.27 -0.19 0.00 -2.27 0.00 0.00 64.05 61.24 1wek n THR 157 Cb 0.13 0.19 0.08 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.06 -6.81 0.00 -0.78 1.02 -0.46 -4.92 120.64 108.76 1wek n GLU 158 Ca 0.14 0.82 0.13 0.00 -0.02 0.00 0.00 57.16 58.24 1wek n GLU 158 Cb 0.25 -5.81 0.43 0.00 -0.02 0.00 0.00 31.44 26.28 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 -4.37 1.06 -3.88 3.49 5.02 0.49 -4.87 118.16 115.09 1wek n LYS 159 Ca -0.21 -0.62 -0.09 0.00 -2.02 0.00 0.00 58.31 55.37 1wek n LYS 159 Cb 0.64 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 34.08 1wek n LYS 159 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1wek s VAL 160 N -2.36 0.13 0.73 -0.18 -7.23 -1.25 -5.07 120.40 105.18 1wek s VAL 160 Ca 0.28 -1.10 -0.16 0.00 -1.81 0.00 0.00 61.98 59.20 1wek s VAL 160 Cb 0.20 -1.09 0.01 0.00 0.56 0.00 0.00 36.38 36.06 1wek s VAL 160 CO 0.47 -0.61 0.97 0.00 -0.31 0.00 0.00 175.10 175.62 1wek n HIS 161 N 0.41 0.65 -2.37 2.82 1.44 -1.26 -4.83 115.22 112.09 1wek n HIS 161 Ca -0.17 0.39 -0.37 0.00 -2.01 0.00 0.00 57.72 55.56 1wek n HIS 161 Cb 0.60 -2.08 -0.02 0.00 0.12 0.00 0.00 29.99 28.62 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 -3.40 3.88 -0.10 -1.40 0.52 -1.26 -4.99 118.95 112.19 1wek s ARG 162 Ca 0.73 1.66 -0.25 0.00 -0.52 0.00 0.00 55.73 57.34 1wek s ARG 162 Cb -0.34 -2.41 0.06 0.00 0.52 0.00 0.00 34.95 32.78 1wek s ARG 162 CO 0.51 -0.42 0.60 -0.59 0.02 0.00 0.00 175.30 175.42 1wek s PHE 163 N -1.62 -0.59 0.58 -0.53 -0.12 -1.26 -5.01 117.98 109.43 1wek s PHE 163 Ca 0.62 1.17 -0.20 0.00 -0.05 0.00 0.00 56.93 58.47 1wek s PHE 163 Cb -0.25 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.40 1wek s PHE 163 CO 0.31 -0.48 1.27 -2.14 -0.05 0.00 0.00 175.22 174.13 1wek s PRO 164 N -0.72 3.00 -0.08 1.99 0.02 -1.26 -4.86 135.00 133.09 1wek s PRO 164 Ca -0.08 2.01 0.02 0.00 0.02 0.00 0.00 61.00 62.98 1wek s PRO 164 Cb -0.02 -2.06 0.01 0.00 0.02 0.00 0.00 34.50 32.45 1wek s PRO 164 CO 0.06 -1.23 -0.13 0.08 -0.33 0.00 0.00 177.00 175.45 1wek s VAL 165 N -1.44 1.23 -0.03 3.83 1.01 -1.25 -1.21 120.40 122.54 1wek s VAL 165 Ca 0.75 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 62.28 1wek s VAL 165 Cb -0.35 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 1wek s VAL 165 CO 0.40 0.38 -0.20 -0.36 0.00 0.00 0.00 175.10 175.31 1wek s PHE 166 N 0.77 1.89 -0.12 5.22 0.40 0.33 -1.55 117.98 124.91 1wek s PHE 166 Ca -0.12 -0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 55.76 1wek s PHE 166 Cb -0.16 -1.23 -0.02 0.00 0.51 0.00 0.00 43.02 42.12 1wek s PHE 166 CO 0.02 -0.09 -0.07 -0.51 0.70 0.00 0.00 175.22 175.27 1wek s LEU 167 N -0.30 3.08 -0.14 -0.37 1.43 -0.11 -0.02 118.68 122.25 1wek s LEU 167 Ca 0.03 -0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1wek s LEU 167 Cb -0.10 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 1wek s LEU 167 CO 0.01 0.23 -0.08 -0.76 0.23 0.00 0.00 176.35 175.98 1wek s LEU 168 N -0.02 3.03 0.00 1.79 1.43 0.52 0.10 118.68 125.52 1wek s LEU 168 Ca -0.01 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1wek s LEU 168 Cb -0.14 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.38 1wek s LEU 168 CO 0.03 0.18 0.00 -0.67 0.23 0.00 0.00 176.35 176.12 1wek n ASP 169 N 3.42 -0.12 -0.23 2.29 4.64 0.19 -3.81 116.55 122.94 1wek n ASP 169 Ca -0.18 0.00 0.04 0.00 -1.38 0.00 0.00 54.79 53.27 1wek n ASP 169 Cb 0.53 -0.06 0.16 0.00 -1.04 0.00 0.00 41.12 40.70 1wek n ASP 169 CO 0.00 0.00 0.00 0.03 -0.82 0.00 0.00 177.20 176.41 1wek h ARG 170 N 0.00 0.26 -0.35 -0.67 3.08 -1.88 -2.07 114.38 112.75 1wek h ARG 170 Ca 0.00 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1wek h ARG 170 Cb 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1wek h ARG 170 CO 0.00 0.17 0.04 0.78 -1.07 0.00 0.00 179.97 179.89 1wek h GLY 171 N 0.26 0.57 0.99 0.04 0.00 -1.95 -2.60 103.07 100.39 1wek h GLY 171 Ca 0.38 -0.32 -0.22 0.00 0.00 0.00 0.00 47.33 47.18 1wek h GLY 171 CO -0.48 0.30 -0.86 -1.82 0.00 0.00 0.00 176.54 173.69 1wek h TYR 172 N 0.52 0.82 -0.07 5.60 3.20 -1.74 -3.28 116.97 122.02 1wek h TYR 172 Ca 0.12 -0.46 0.00 0.00 3.14 0.00 0.00 58.73 61.52 1wek h TYR 172 Cb 0.28 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.46 1wek h TYR 172 CO 0.01 1.30 0.00 0.91 -1.64 0.00 0.00 178.16 178.74 1wek n TRP 173 N -4.03 0.09 -0.21 -3.82 7.02 -1.02 -4.38 117.44 111.10 1wek n TRP 173 Ca -0.11 -0.05 -0.02 0.00 -1.02 0.00 0.00 57.50 56.30 1wek n TRP 173 Cb 0.80 0.00 0.09 0.00 -2.42 0.00 0.00 31.31 29.77 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 0.91 0.58 -0.51 -0.99 4.81 -1.52 -1.54 114.58 116.31 1wek h GLU 174 Ca 0.00 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1wek h GLU 174 Cb 0.20 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1wek h GLU 174 CO 0.00 0.38 0.12 0.78 -0.73 0.00 0.00 179.01 179.56 1wek h GLY 175 N 0.60 0.88 0.88 1.92 0.00 -1.85 -2.01 103.07 103.50 1wek h GLY 175 Ca 0.28 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1wek h GLY 175 CO -0.19 0.52 0.03 -2.00 0.00 0.00 0.00 176.54 174.90 1wek h LEU 176 N 0.71 0.48 0.32 3.11 5.85 -1.81 -2.81 115.31 121.16 1wek h LEU 176 Ca 0.16 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1wek h LEU 176 Cb 0.34 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1wek h LEU 176 CO 0.00 0.64 -0.15 0.58 -0.34 0.00 0.00 178.44 179.17 1wek h VAL 177 N 0.31 0.71 -1.01 1.05 2.07 -1.26 -1.44 116.25 116.69 1wek h VAL 177 Ca 0.09 -0.37 0.23 0.00 0.82 0.00 0.00 66.70 67.47 1wek h VAL 177 Cb 0.37 0.91 -0.11 0.00 -1.52 0.00 0.00 31.29 30.94 1wek h VAL 177 CO 0.01 0.08 0.63 0.03 0.02 0.00 0.00 177.57 178.33 1wek h ARG 178 N -0.63 0.54 -0.19 1.57 3.08 -1.44 0.63 114.38 117.95 1wek h ARG 178 Ca -0.04 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 59.81 1wek h ARG 178 Cb 0.45 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1wek h ARG 178 CO 0.07 0.36 -0.55 2.35 -1.07 0.00 0.00 179.97 181.13 1wek h TRP 179 N 0.56 0.71 -0.06 3.04 7.01 -1.24 -1.72 115.95 124.25 1wek h TRP 179 Ca 0.60 -0.25 -0.06 0.00 2.11 0.00 0.00 58.89 61.29 1wek h TRP 179 Cb 1.23 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 28.15 1wek h TRP 179 CO -0.00 0.99 -0.23 -0.07 -2.79 0.00 0.00 178.44 176.33 1wek h LEU 180 N 0.44 0.09 -0.74 0.65 3.38 0.18 0.19 115.31 119.50 1wek h LEU 180 Ca 0.01 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1wek h LEU 180 Cb 1.10 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1wek h LEU 180 CO 0.10 0.33 -0.22 0.00 0.09 0.00 0.00 178.44 178.75 1wek h ALA 181 N 1.68 0.92 -0.05 1.53 0.00 -0.73 -0.18 119.26 122.43 1wek h ALA 181 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1wek h ALA 181 Cb 0.47 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1wek h ALA 181 CO 0.03 0.62 0.03 0.35 0.00 0.00 0.00 179.25 180.28 1wek h PHE 182 N 0.63 0.07 -0.35 0.00 3.57 -0.05 -0.83 116.94 119.98 1wek h PHE 182 Ca 0.09 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.65 1wek h PHE 182 Cb 0.71 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.37 1wek h PHE 182 CO 0.03 0.05 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.08 1wek h LEU 183 N 0.06 -0.18 -0.72 0.59 3.38 -0.14 0.31 115.31 118.62 1wek h LEU 183 Ca 0.02 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1wek h LEU 183 Cb 0.00 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1wek h LEU 183 CO -0.00 -0.05 0.45 0.08 0.09 0.00 0.00 178.44 179.00 1wek h ARG 184 N 0.08 0.84 -0.62 1.13 0.11 -0.72 0.22 114.38 115.42 1wek h ARG 184 Ca 0.17 -0.05 -0.06 0.00 0.10 0.00 0.00 59.98 60.14 1wek h ARG 184 Cb 0.24 -0.19 -0.03 0.00 1.11 0.00 0.00 29.97 31.10 1wek h ARG 184 CO -0.30 0.56 0.15 -0.44 0.10 0.00 0.00 179.97 180.04 1wek h ASP 185 N 0.87 0.91 0.67 0.08 3.32 -0.14 0.27 116.42 122.40 1wek h ASP 185 Ca 0.29 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1wek h ASP 185 Cb 0.03 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.34 1wek h ASP 185 CO -0.12 0.88 0.00 0.00 -1.72 0.00 0.00 179.24 178.29 1wek n GLN 186 N -4.25 0.16 -2.25 3.56 1.13 1.00 -4.87 117.38 111.85 1wek n GLN 186 Ca 0.05 0.40 -0.10 0.00 -1.94 0.00 0.00 57.00 55.40 1wek n GLN 186 Cb 0.24 -1.80 -0.00 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 -2.10 -1.02 0.00 -1.09 5.02 0.95 -4.89 118.16 115.03 1wek n LYS 187 Ca 0.02 0.47 0.14 0.00 -2.02 0.00 0.00 58.31 56.91 1wek n LYS 187 Cb 0.21 -4.48 0.47 0.00 -0.02 0.00 0.00 35.03 31.21 1wek n LYS 187 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wek n ALA 188 N -1.65 2.82 -2.97 7.82 0.00 -0.50 -4.83 120.51 121.20 1wek n ALA 188 Ca -0.11 -0.41 -0.10 0.00 0.00 0.00 0.00 53.44 52.83 1wek n ALA 188 Cb 0.58 -1.17 -0.12 0.00 0.00 0.00 0.00 19.45 18.75 1wek n ALA 188 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wek s VAL 189 N -2.27 0.08 0.88 0.00 1.01 -1.25 -4.98 120.40 113.87 1wek s VAL 189 Ca 0.31 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 1wek s VAL 189 Cb 0.20 -0.22 0.12 0.00 0.00 0.00 0.00 36.38 36.48 1wek s VAL 189 CO 0.43 -0.38 1.11 -0.83 0.00 0.00 0.00 175.10 175.44 1wek s GLY 190 N -1.11 1.67 0.13 4.51 0.00 -1.26 -4.65 107.32 106.60 1wek s GLY 190 Ca -0.12 0.36 -0.31 0.00 0.00 0.00 0.00 44.72 44.64 1wek s GLY 190 CO -0.01 0.78 1.56 -2.55 0.00 0.00 0.00 173.10 172.88 1wek h PRO 191 N -1.62 -0.45 -0.89 2.90 0.11 -1.99 -2.82 132.00 127.23 1wek h PRO 191 Ca -0.45 0.03 -0.41 0.00 0.11 0.00 0.00 66.00 65.28 1wek h PRO 191 Cb 1.26 0.10 -0.25 0.00 0.11 0.00 0.00 31.00 32.23 1wek h PRO 191 CO 0.47 -0.30 0.51 -0.85 -0.21 0.00 0.00 178.00 177.62 1wek n GLU 192 N -5.42 2.67 0.11 1.05 0.28 -1.26 -4.40 120.64 113.67 1wek n GLU 192 Ca -0.04 -3.05 -0.02 0.00 -0.16 0.00 0.00 57.16 53.90 1wek n GLU 192 Cb 0.36 -2.17 0.04 0.00 1.43 0.00 0.00 31.44 31.10 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 1.49 0.00 0.95 -1.84 3.32 -1.86 -2.80 116.42 115.68 1wek h ASP 193 Ca 0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.56 1wek h ASP 193 Cb 2.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.21 1wek h ASP 193 CO 0.96 0.73 0.00 -0.07 -1.72 0.00 0.00 179.24 179.14 1wek h LEU 194 N 0.00 0.00 0.00 1.55 4.07 -1.78 -2.31 115.31 116.84 1wek h LEU 194 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1wek h LEU 194 Cb 1.42 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.16 1wek h LEU 194 CO 0.09 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.45 1wek n GLN 195 N -3.09 0.47 0.26 1.13 1.13 -1.05 -3.30 117.38 112.93 1wek n GLN 195 Ca 0.00 0.04 0.18 0.00 -1.94 0.00 0.00 57.00 55.28 1wek n GLN 195 Cb 0.29 -1.50 0.82 0.00 0.11 0.00 0.00 30.24 29.96 1wek n GLN 195 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1wek h LEU 196 N 0.00 0.00 -8.41 1.08 4.07 -1.54 -3.44 115.31 107.07 1wek h LEU 196 Ca 0.00 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.77 1wek h LEU 196 Cb 0.17 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 41.76 1wek h LEU 196 CO 0.00 0.00 -0.67 0.72 -1.08 0.00 0.00 178.44 177.41 1wek s PHE 197 N -3.75 0.82 -0.06 1.13 -0.12 -1.21 -3.78 117.98 111.01 1wek s PHE 197 Ca -0.01 -1.06 0.02 0.00 -0.05 0.00 0.00 56.93 55.83 1wek s PHE 197 Cb 0.10 -0.50 0.01 0.00 -0.63 0.00 0.00 43.02 42.01 1wek s PHE 197 CO 0.44 -0.33 -0.12 0.50 -0.05 0.00 0.00 175.22 175.67 1wek s ARG 198 N -3.93 1.60 0.05 1.99 3.52 -0.60 -5.01 118.95 116.57 1wek s ARG 198 Ca 0.15 -0.39 -0.24 0.00 -0.13 0.00 0.00 55.73 55.12 1wek s ARG 198 Cb 0.07 -1.34 -0.06 0.00 -1.56 0.00 0.00 34.95 32.06 1wek s ARG 198 CO -0.03 0.03 0.73 -1.17 -0.81 0.00 0.00 175.30 174.05 1wek s LEU 199 N 0.62 4.46 0.26 -0.88 1.98 -1.26 -0.93 118.68 122.93 1wek s LEU 199 Ca -0.13 1.41 -0.08 0.00 -2.89 0.00 0.00 54.13 52.43 1wek s LEU 199 Cb -0.15 -3.17 -0.01 0.00 0.66 0.00 0.00 46.19 43.52 1wek s LEU 199 CO 0.03 0.06 0.41 -0.89 -1.89 0.00 0.00 176.35 174.07 1wek s THR 200 N -0.24 0.00 -0.01 3.68 2.01 0.11 -4.92 115.64 116.28 1wek s THR 200 Ca 0.36 -1.57 0.01 0.00 0.31 0.00 0.00 61.69 60.80 1wek s THR 200 Cb -0.20 -2.37 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 1wek s THR 200 CO 0.22 0.00 0.01 0.47 -0.69 0.00 0.00 174.62 174.63 1wek n ASP 201 N -0.59 4.82 -4.49 3.53 8.00 -1.26 0.57 116.55 127.13 1wek n ASP 201 Ca -0.00 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 1wek n ASP 201 Cb 0.63 0.62 -0.11 0.00 -0.02 0.00 0.00 41.12 42.23 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 -2.02 3.37 0.38 -1.24 8.01 -1.26 -4.71 118.70 121.23 1wek s GLU 202 Ca -0.00 -0.72 0.06 0.00 0.01 0.00 0.00 54.97 54.32 1wek s GLU 202 Cb 0.00 -3.73 0.77 0.00 -4.31 0.00 0.00 34.13 26.86 1wek s GLU 202 CO 0.03 -0.47 2.02 -1.35 0.01 0.00 0.00 175.26 175.50 1wek h PRO 203 N 8.45 0.67 -0.23 0.39 0.11 -1.95 -2.30 132.00 137.14 1wek h PRO 203 Ca -0.31 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.73 1wek h PRO 203 Cb 1.15 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1wek h PRO 203 CO 0.63 0.44 0.03 0.93 -0.21 0.00 0.00 178.00 179.82 1wek h GLU 204 N 0.69 0.32 0.00 1.05 5.08 -1.92 -1.93 114.58 117.87 1wek h GLU 204 Ca 0.22 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.36 1wek h GLU 204 Cb 0.03 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1wek h GLU 204 CO -0.05 0.33 -0.83 0.93 -1.00 0.00 0.00 179.01 178.39 1wek h GLU 205 N 0.32 0.02 0.06 2.33 4.39 -1.84 -1.19 114.58 118.67 1wek h GLU 205 Ca 0.08 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.77 1wek h GLU 205 Cb 0.18 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1wek h GLU 205 CO 0.00 0.83 -0.12 0.28 -1.16 0.00 0.00 179.01 178.85 1wek h VAL 206 N 0.01 0.72 -0.64 3.13 2.07 -1.26 0.23 116.25 120.51 1wek h VAL 206 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1wek h VAL 206 Cb 1.46 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1wek h VAL 206 CO 0.11 0.00 0.39 0.58 0.02 0.00 0.00 177.57 178.67 1wek h VAL 207 N -0.23 1.18 -0.21 2.57 2.07 -1.38 -0.86 116.25 119.39 1wek h VAL 207 Ca 0.02 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1wek h VAL 207 Cb 0.25 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1wek h VAL 207 CO -0.08 0.19 0.09 -0.61 0.02 0.00 0.00 177.57 177.18 1wek h GLN 208 N 0.86 0.19 -0.31 1.57 5.75 -0.65 -0.64 115.11 121.88 1wek h GLN 208 Ca 0.23 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.69 1wek h GLN 208 Cb -0.03 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 1wek h GLN 208 CO -0.04 0.13 0.05 0.00 -2.65 0.00 0.00 178.83 176.32 1wek h ALA 209 N 1.12 1.51 -0.35 3.38 0.00 -0.26 -1.38 119.26 123.28 1wek h ALA 209 Ca 0.09 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1wek h ALA 209 Cb 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1wek h ALA 209 CO -0.07 0.36 -0.27 -0.07 0.00 0.00 0.00 179.25 179.20 1wek h LEU 210 N 0.45 0.84 -0.93 0.00 3.38 -0.53 -2.12 115.31 116.40 1wek h LEU 210 Ca 0.11 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 1wek h LEU 210 Cb 0.21 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1wek h LEU 210 CO -0.00 1.11 0.37 0.11 0.09 0.00 0.00 178.44 180.11 1wek h LYS 211 N 0.59 1.13 -0.14 1.13 1.79 -0.67 -1.91 116.57 118.49 1wek h LYS 211 Ca 0.07 -0.17 -0.03 0.00 -2.18 0.00 0.00 60.65 58.34 1wek h LYS 211 Cb 0.83 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 1wek h LYS 211 CO 0.07 0.88 -0.06 0.00 -1.08 0.00 0.00 179.45 179.26 1wek h ALA 212 N 1.28 1.64 -2.14 3.86 0.00 -1.01 -3.21 119.26 119.68 1wek h ALA 212 Ca 0.27 -0.14 -0.76 0.00 0.00 0.00 0.00 54.91 54.28 1wek h ALA 212 Cb 0.13 -0.07 -0.32 0.00 0.00 0.00 0.00 17.79 17.53 1wek h ALA 212 CO -0.03 0.27 0.38 0.39 0.00 0.00 0.00 179.25 180.26 1wek n GLU 213 N -4.35 3.80 0.00 0.00 1.02 -0.72 -4.68 120.64 115.71 1wek n GLU 213 Ca -0.01 -4.56 0.00 0.00 -0.02 0.00 0.00 57.16 52.57 1wek n GLU 213 Cb 0.21 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.17 1wek n GLU 213 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wek n ALA 214 N 1.48 0.20 0.00 0.62 0.00 -1.21 -4.88 120.51 116.72 1wek n ALA 214 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1wek n ALA 214 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1wek n ALA 214 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20