#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wek n LEU 6 N 0.00 0.60 -0.32 2.45 -0.00 -1.26 -4.11 117.00 114.36 1wek n LEU 6 Ca 0.00 0.02 0.09 0.00 -0.00 0.00 0.00 56.01 56.13 1wek n LEU 6 Cb 0.00 -0.09 0.30 0.00 -0.00 0.00 0.00 43.42 43.63 1wek n LEU 6 CO 0.00 0.01 1.23 0.40 -0.00 0.00 0.00 177.39 179.03 1wek h ILE 7 N 0.00 0.88 -0.20 1.47 1.08 -2.05 0.48 117.51 119.18 1wek h ILE 7 Ca 0.00 -0.29 -0.07 0.00 -0.39 0.00 0.00 64.86 64.10 1wek h ILE 7 Cb 0.77 -0.05 -0.00 0.00 -3.07 0.00 0.00 36.82 34.47 1wek h ILE 7 CO 0.00 0.16 -0.16 -2.24 -0.69 0.00 0.00 178.15 175.22 1wek h ASP 8 N 0.86 0.49 0.14 1.72 3.04 -1.99 -1.76 116.42 118.92 1wek h ASP 8 Ca 0.47 -0.45 0.00 0.00 -3.24 0.00 0.00 57.03 53.81 1wek h ASP 8 Cb 0.58 -0.14 -0.01 0.00 -1.04 0.00 0.00 39.33 38.72 1wek h ASP 8 CO -0.24 0.84 -0.14 -0.61 -2.04 0.00 0.00 179.24 177.05 1wek h GLN 9 N 0.14 -0.30 -0.38 4.15 4.15 -1.33 0.10 115.11 121.65 1wek h GLN 9 Ca 0.04 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.50 1wek h GLN 9 Cb 0.69 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 1wek h GLN 9 CO 0.04 -0.20 0.25 -0.07 -1.93 0.00 0.00 178.83 176.92 1wek h LEU 10 N -0.31 0.37 -0.23 -2.39 3.38 -0.13 -1.67 115.31 114.34 1wek h LEU 10 Ca 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1wek h LEU 10 Cb 0.29 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1wek h LEU 10 CO -0.04 0.26 0.02 -0.74 0.09 0.00 0.00 178.44 178.03 1wek h HIS 11 N 0.43 0.42 -0.02 1.13 2.76 -0.35 -2.39 115.15 117.12 1wek h HIS 11 Ca 0.15 -0.07 -0.06 0.00 -2.20 0.00 0.00 60.37 58.20 1wek h HIS 11 Cb 0.06 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 1wek h HIS 11 CO -0.00 0.55 -0.25 1.25 -1.30 0.00 0.00 177.93 178.18 1wek h HIS 12 N 0.18 0.04 0.00 5.26 -0.00 -0.42 -1.03 115.15 119.17 1wek h HIS 12 Ca 0.07 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.36 1wek h HIS 12 Cb 0.36 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.75 1wek h HIS 12 CO 0.03 0.29 -0.33 0.93 -0.00 0.00 0.00 177.93 178.84 1wek h GLU 13 N 0.04 0.00 -6.58 5.26 5.08 -1.07 -3.47 114.58 113.84 1wek h GLU 13 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.85 1wek h GLU 13 Cb 0.46 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1wek h GLU 13 CO 0.03 0.33 -0.94 -3.47 -1.00 0.00 0.00 179.01 173.97 1wek n ASP 14 N -3.82 -2.15 0.05 1.42 2.03 -0.39 -4.87 116.55 108.82 1wek n ASP 14 Ca -0.01 -1.10 0.13 0.00 0.52 0.00 0.00 54.79 54.32 1wek n ASP 14 Cb 0.41 -2.70 0.33 0.00 -0.72 0.00 0.00 41.12 38.44 1wek n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1wek n SER 15 N -2.74 0.58 0.09 1.67 7.64 -1.26 -3.62 113.62 115.97 1wek n SER 15 Ca -0.22 0.25 0.07 0.00 1.01 0.00 0.00 58.87 59.98 1wek n SER 15 Cb 0.64 -0.20 0.35 0.00 -1.01 0.00 0.00 64.21 63.99 1wek n SER 15 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1wek n TRP 16 N -1.94 0.43 0.23 1.43 4.27 -1.26 -0.82 117.44 119.77 1wek n TRP 16 Ca 0.05 0.21 0.09 0.00 -3.89 0.00 0.00 57.50 53.96 1wek n TRP 16 Cb 0.40 -0.84 0.55 0.00 -1.36 0.00 0.00 31.31 30.06 1wek n TRP 16 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1wek h ARG 17 N 0.00 0.00 0.00 -2.67 2.47 -1.95 -3.03 114.38 109.19 1wek h ARG 17 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 1wek h ARG 17 Cb 0.06 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1wek h ARG 17 CO 0.00 0.22 -0.08 -0.07 0.56 0.00 0.00 179.97 180.60 1wek h LEU 18 N 0.00 0.00 0.18 3.04 3.38 -1.26 -2.84 115.31 117.81 1wek h LEU 18 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1wek h LEU 18 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1wek h LEU 18 CO 0.03 0.08 -0.09 -0.26 0.09 0.00 0.00 178.44 178.29 1wek h PHE 19 N 0.00 -0.23 -0.20 1.13 0.04 -1.72 0.23 116.94 116.19 1wek h PHE 19 Ca -0.00 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1wek h PHE 19 Cb 0.34 0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1wek h PHE 19 CO 0.00 -0.13 0.03 -0.09 -0.60 0.00 0.00 178.31 177.52 1wek h ARG 20 N -0.27 0.34 -0.58 1.51 2.43 -1.72 -1.18 114.38 114.91 1wek h ARG 20 Ca -0.03 -0.09 0.08 0.00 -0.81 0.00 0.00 59.98 59.13 1wek h ARG 20 Cb 0.21 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 1wek h ARG 20 CO 0.04 0.50 0.25 0.82 -1.51 0.00 0.00 179.97 180.06 1wek h ILE 21 N 0.13 0.84 -0.56 1.20 2.04 -1.38 -0.08 117.51 119.69 1wek h ILE 21 Ca 0.06 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 1wek h ILE 21 Cb 0.32 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1wek h ILE 21 CO 0.00 0.08 0.14 -0.07 0.00 0.00 0.00 178.15 178.31 1wek h LEU 22 N 0.45 0.85 -0.96 1.44 3.38 -0.40 -1.98 115.31 118.09 1wek h LEU 22 Ca 0.28 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1wek h LEU 22 Cb 0.30 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1wek h LEU 22 CO -0.26 0.86 0.63 0.00 0.09 0.00 0.00 178.44 179.77 1wek h ALA 23 N 1.02 1.24 -0.42 1.53 0.00 -0.46 0.49 119.26 122.66 1wek h ALA 23 Ca 0.18 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1wek h ALA 23 Cb 0.34 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1wek h ALA 23 CO 0.00 0.57 -0.32 0.93 0.00 0.00 0.00 179.25 180.43 1wek h GLU 24 N 1.27 0.95 0.17 0.00 5.08 -0.76 0.07 114.58 121.35 1wek h GLU 24 Ca 0.37 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1wek h GLU 24 Cb -0.09 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1wek h GLU 24 CO -0.10 1.12 -0.08 0.74 -1.00 0.00 0.00 179.01 179.70 1wek h PHE 25 N 0.79 -0.21 -0.59 4.33 0.05 -0.99 0.87 116.94 121.19 1wek h PHE 25 Ca 0.08 -0.00 0.02 0.00 3.82 0.00 0.00 57.97 61.89 1wek h PHE 25 Cb 0.91 0.07 -0.04 0.00 2.00 0.00 0.00 35.95 38.89 1wek h PHE 25 CO 0.06 0.06 0.36 0.28 -0.18 0.00 0.00 178.31 178.89 1wek h VAL 26 N -0.46 1.08 -0.41 -0.55 2.07 -0.89 0.19 116.25 117.29 1wek h VAL 26 Ca -0.02 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 1wek h VAL 26 Cb 0.36 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1wek h VAL 26 CO 0.04 0.13 0.01 -0.08 0.02 0.00 0.00 177.57 177.69 1wek h GLU 27 N 0.72 0.71 -0.64 1.57 4.81 -0.96 -1.50 114.58 119.29 1wek h GLU 27 Ca 0.23 -0.22 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1wek h GLU 27 Cb 0.00 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1wek h GLU 27 CO -0.09 0.78 0.40 0.78 -0.73 0.00 0.00 179.01 180.16 1wek h GLY 28 N 0.54 0.91 0.91 1.92 0.00 -0.24 -1.31 103.07 105.79 1wek h GLY 28 Ca 0.12 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1wek h GLY 28 CO 0.02 0.28 0.05 0.74 0.00 0.00 0.00 176.54 177.62 1wek h PHE 29 N 0.81 0.60 -0.71 5.60 0.04 -0.44 -1.75 116.94 121.09 1wek h PHE 29 Ca 0.25 -0.09 0.04 0.00 2.80 0.00 0.00 57.97 60.97 1wek h PHE 29 Cb -0.02 -0.16 -0.05 0.00 2.20 0.00 0.00 35.95 37.91 1wek h PHE 29 CO -0.04 0.64 0.43 0.93 -0.60 0.00 0.00 178.31 179.67 1wek h GLU 30 N 0.39 0.80 0.40 1.51 5.08 -1.02 -0.30 114.58 121.44 1wek h GLU 30 Ca 0.10 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1wek h GLU 30 Cb 0.37 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1wek h GLU 30 CO 0.01 0.53 -0.19 1.15 -1.00 0.00 0.00 179.01 179.51 1wek h THR 31 N 0.82 0.00 -0.19 1.13 2.02 -1.16 -3.21 112.91 112.33 1wek h THR 31 Ca 0.30 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1wek h THR 31 Cb 0.08 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 1wek h THR 31 CO -0.14 0.00 0.05 -0.07 0.37 0.00 0.00 175.52 175.73 1wek h LEU 32 N -0.98 0.23 -1.61 2.58 3.38 -1.35 -2.32 115.31 115.25 1wek h LEU 32 Ca -0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1wek h LEU 32 Cb 0.41 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1wek h LEU 32 CO 0.09 0.24 -0.09 0.28 0.09 0.00 0.00 178.44 179.05 1wek h SER 33 N 0.26 0.13 1.10 -0.43 0.02 -1.15 -2.85 113.55 110.63 1wek h SER 33 Ca 0.07 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 1wek h SER 33 Cb 0.10 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1wek h SER 33 CO -0.00 0.24 -0.50 -0.33 -1.14 0.00 0.00 176.83 175.10 1wek h GLU 34 N 0.14 0.00 -6.74 3.45 5.08 -1.41 -3.46 114.58 111.64 1wek h GLU 34 Ca 0.03 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.82 1wek h GLU 34 Cb 0.25 0.00 0.15 0.00 0.50 0.00 0.00 28.75 29.65 1wek h GLU 34 CO 0.01 0.50 0.12 1.28 -1.00 0.00 0.00 179.01 179.92 1wek n LEU 35 N -3.40 3.12 -0.69 1.33 4.77 -1.08 -4.92 117.00 116.13 1wek n LEU 35 Ca 0.01 0.90 0.04 0.00 -0.03 0.00 0.00 56.01 56.92 1wek n LEU 35 Cb 0.65 -1.37 0.20 0.00 -2.33 0.00 0.00 43.42 40.57 1wek n LEU 35 CO 0.39 -1.75 0.45 0.00 -1.33 0.00 0.00 177.39 175.15 1wek n GLN 36 N -0.48 1.64 -4.09 3.23 6.02 -1.26 -5.00 117.38 117.44 1wek n GLN 36 Ca 0.12 -3.24 -0.14 0.00 -0.01 0.00 0.00 57.00 53.73 1wek n GLN 36 Cb 0.44 -1.66 -0.11 0.00 1.02 0.00 0.00 30.24 29.93 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 -3.22 0.66 0.31 5.09 -7.23 -1.26 -5.11 120.40 109.63 1wek s VAL 37 Ca 0.39 -1.21 -0.29 0.00 -1.81 0.00 0.00 61.98 59.06 1wek s VAL 37 Cb 0.37 -0.80 -0.11 0.00 0.56 0.00 0.00 36.38 36.41 1wek s VAL 37 CO -0.05 -0.41 1.48 -2.84 -0.31 0.00 0.00 175.10 172.97 1wek s PRO 38 N -1.84 4.19 -0.15 4.82 0.02 -1.26 -4.72 135.00 136.06 1wek s PRO 38 Ca -0.06 2.45 -0.05 0.00 0.02 0.00 0.00 61.00 63.36 1wek s PRO 38 Cb -0.08 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.36 1wek s PRO 38 CO 0.00 -0.48 0.00 -0.51 -0.33 0.00 0.00 177.00 175.69 1wek s LEU 39 N -1.12 3.50 -0.19 -5.54 1.43 -1.26 -1.34 118.68 114.16 1wek s LEU 39 Ca 0.57 -0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.64 1wek s LEU 39 Cb -0.45 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 43.92 1wek s LEU 39 CO 0.52 0.21 -0.08 -0.69 0.23 0.00 0.00 176.35 176.54 1wek s VAL 40 N 0.13 3.22 -0.01 -1.59 1.01 -0.56 -1.09 120.40 121.51 1wek s VAL 40 Ca 0.01 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.17 1wek s VAL 40 Cb -0.13 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1wek s VAL 40 CO 0.02 0.46 0.80 -0.44 0.00 0.00 0.00 175.10 175.94 1wek s SER 41 N 1.10 7.17 -0.03 3.32 0.01 -0.78 -1.37 113.70 123.12 1wek s SER 41 Ca 0.01 1.40 0.04 0.00 1.31 0.00 0.00 55.95 58.71 1wek s SER 41 Cb -0.15 -2.47 -0.00 0.00 0.21 0.00 0.00 66.02 63.61 1wek s SER 41 CO -0.01 -0.12 -0.14 -0.69 0.41 0.00 0.00 173.24 172.69 1wek s VAL 42 N 0.59 1.16 0.06 3.43 1.01 -0.47 -1.40 120.40 124.78 1wek s VAL 42 Ca 0.42 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.88 1wek s VAL 42 Cb -0.20 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 1wek s VAL 42 CO 0.22 0.34 -0.14 -0.36 0.00 0.00 0.00 175.10 175.16 1wek s PHE 43 N 0.06 1.21 -0.04 5.22 0.40 0.37 -4.48 117.98 120.72 1wek s PHE 43 Ca -0.03 -0.43 -0.31 0.00 -0.60 0.00 0.00 56.93 55.57 1wek s PHE 43 Cb -0.10 -0.69 0.12 0.00 0.51 0.00 0.00 43.02 42.86 1wek s PHE 43 CO 0.01 0.05 1.19 0.20 0.70 0.00 0.00 175.22 177.37 1wek s GLY 44 N -1.57 -0.36 0.18 4.36 0.00 -1.26 0.62 107.32 109.29 1wek s GLY 44 Ca -0.01 0.87 -0.33 0.00 0.00 0.00 0.00 44.72 45.25 1wek s GLY 44 CO 0.02 0.23 1.39 -1.26 0.00 0.00 0.00 173.10 173.48 1wek n SER 45 N -0.36 2.37 -0.05 1.64 2.88 0.85 -4.60 113.62 116.34 1wek n SER 45 Ca -0.06 1.12 0.15 0.00 -1.33 0.00 0.00 58.87 58.75 1wek n SER 45 Cb 0.61 -1.34 0.75 0.00 -0.75 0.00 0.00 64.21 63.48 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 2.36 2.62 0.16 -1.46 0.00 -1.26 0.10 120.51 123.04 1wek n ALA 46 Ca 0.15 -0.20 0.06 0.00 0.00 0.00 0.00 53.44 53.45 1wek n ALA 46 Cb 0.27 -1.44 -0.09 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.07 1.17 -2.81 0.00 1.74 -1.26 -3.29 116.66 111.15 1wek n ARG 47 Ca 0.17 -0.08 -0.43 0.00 -0.77 0.00 0.00 57.85 56.74 1wek n ARG 47 Cb 0.22 -1.22 -0.04 0.00 -1.02 0.00 0.00 32.46 30.40 1wek n ARG 47 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1wek s PHE 48 N -2.64 2.66 0.00 -1.55 2.99 -1.25 -4.91 117.98 113.28 1wek s PHE 48 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 56.93 56.62 1wek s PHE 48 Cb 0.08 -4.27 0.00 0.00 0.00 0.00 0.00 43.02 38.84 1wek s PHE 48 CO 0.51 -1.61 0.00 0.41 -0.00 0.00 0.00 175.22 174.53 1wek n GLY 49 N 5.26 0.19 3.59 4.36 0.00 -1.26 -3.40 105.19 113.93 1wek n GLY 49 Ca -0.01 -1.87 -0.48 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.97 1.25 0.00 1.61 1.02 -1.26 -1.61 120.64 120.68 1wek n GLU 50 Ca 0.00 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 1wek n GLU 50 Cb 0.00 -1.95 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 1wek n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wek n GLY 51 N 1.99 2.90 3.76 0.62 0.00 -1.26 -5.05 105.19 108.15 1wek n GLY 51 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.91 3.46 0.28 1.61 5.04 -0.63 -4.90 115.29 117.25 1wek s HIS 52 Ca 0.00 1.67 0.02 0.00 -1.54 0.00 0.00 55.06 55.21 1wek s HIS 52 Cb 0.00 -3.28 0.64 0.00 0.04 0.00 0.00 32.58 29.99 1wek s HIS 52 CO 0.00 -0.66 1.75 -1.35 -2.34 0.00 0.00 174.74 172.14 1wek h PRO 53 N 3.46 0.60 -0.35 2.88 0.11 -1.97 -0.29 132.00 136.44 1wek h PRO 53 Ca -0.47 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 1wek h PRO 53 Cb 1.21 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1wek h PRO 53 CO 0.66 0.40 -0.04 0.00 -0.21 0.00 0.00 178.00 178.81 1wek h ALA 54 N 1.62 1.28 -0.02 -0.75 0.00 -1.92 -1.16 119.26 118.31 1wek h ALA 54 Ca 0.52 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1wek h ALA 54 Cb 0.82 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1wek h ALA 54 CO -0.40 0.48 -0.03 -0.92 0.00 0.00 0.00 179.25 178.38 1wek h TYR 55 N 0.53 0.06 -0.29 0.00 3.20 -1.31 -0.83 116.97 118.33 1wek h TYR 55 Ca 0.11 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1wek h TYR 55 Cb 0.40 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 1wek h TYR 55 CO 0.01 0.58 0.19 0.93 -1.64 0.00 0.00 178.16 178.23 1wek h GLU 56 N -0.48 0.38 -0.86 1.82 4.39 -1.25 0.18 114.58 118.75 1wek h GLU 56 Ca 0.00 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.72 1wek h GLU 56 Cb 0.58 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.09 1wek h GLU 56 CO 0.01 0.25 0.55 0.00 -1.16 0.00 0.00 179.01 178.65 1wek h ALA 57 N 1.11 1.15 -0.80 3.43 0.00 -1.23 -0.76 119.26 122.16 1wek h ALA 57 Ca 0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1wek h ALA 57 Cb -0.04 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1wek h ALA 57 CO -0.03 0.35 0.31 0.78 0.00 0.00 0.00 179.25 180.67 1wek h GLY 58 N 1.04 1.29 0.96 0.00 0.00 -0.23 -0.82 103.07 105.30 1wek h GLY 58 Ca 0.35 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1wek h GLY 58 CO -0.14 0.66 0.20 -1.82 0.00 0.00 0.00 176.54 175.45 1wek h TYR 59 N 1.17 0.52 -0.59 5.60 5.03 0.60 -0.50 116.97 128.80 1wek h TYR 59 Ca 0.27 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.56 1wek h TYR 59 Cb 0.22 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.31 1wek h TYR 59 CO 0.02 0.42 0.37 0.00 -1.32 0.00 0.00 178.16 177.65 1wek h ARG 60 N 0.48 0.79 -0.05 1.82 3.08 -0.76 -0.98 114.38 118.77 1wek h ARG 60 Ca 0.13 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1wek h ARG 60 Cb 0.08 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 1wek h ARG 60 CO -0.02 0.55 0.03 1.25 -1.07 0.00 0.00 179.97 180.71 1wek h LEU 61 N 0.80 0.05 -0.38 3.04 6.46 -0.95 0.11 115.31 124.44 1wek h LEU 61 Ca 0.21 -0.06 0.05 0.00 -0.12 0.00 0.00 57.88 57.97 1wek h LEU 61 Cb -0.05 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 39.82 1wek h LEU 61 CO -0.04 0.10 0.12 1.23 -0.62 0.00 0.00 178.44 179.22 1wek h GLY 62 N 0.01 0.48 1.01 3.75 0.00 -0.83 -0.79 103.07 106.69 1wek h GLY 62 Ca 0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 1wek h GLY 62 CO -0.00 0.01 0.19 -0.09 0.00 0.00 0.00 176.54 176.65 1wek h ARG 63 N 0.26 0.94 -0.27 4.80 2.43 -0.99 -2.88 114.38 118.68 1wek h ARG 63 Ca 0.18 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1wek h ARG 63 Cb 0.17 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1wek h ARG 63 CO -0.19 0.83 0.09 0.00 -1.51 0.00 0.00 179.97 179.19 1wek h ALA 64 N 1.06 0.36 -0.68 2.80 0.00 -0.32 -1.99 119.26 120.49 1wek h ALA 64 Ca 0.20 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1wek h ALA 64 Cb 0.28 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1wek h ALA 64 CO -0.01 -0.02 0.44 -0.07 0.00 0.00 0.00 179.25 179.59 1wek h LEU 65 N 0.28 0.74 -0.42 0.00 3.38 -1.15 -0.05 115.31 118.10 1wek h LEU 65 Ca 0.09 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1wek h LEU 65 Cb 0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1wek h LEU 65 CO -0.00 0.53 0.26 0.00 0.09 0.00 0.00 178.44 179.31 1wek h ALA 66 N 1.27 0.53 -0.39 1.53 0.00 -1.44 0.31 119.26 121.06 1wek h ALA 66 Ca 0.26 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1wek h ALA 66 Cb -0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1wek h ALA 66 CO -0.08 0.01 0.19 0.93 0.00 0.00 0.00 179.25 180.30 1wek h GLU 67 N 0.55 0.38 0.00 0.00 5.08 -0.75 -0.56 114.58 119.27 1wek h GLU 67 Ca 0.15 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1wek h GLU 67 Cb -0.02 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1wek h GLU 67 CO -0.03 0.25 0.00 0.00 -1.00 0.00 0.00 179.01 178.23 1wek n ALA 68 N -2.29 1.55 0.00 3.43 0.00 -0.09 -4.86 120.51 118.25 1wek n ALA 68 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wek n ALA 68 Cb 0.10 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.26 1.09 3.95 0.00 0.00 -0.22 -5.07 105.19 104.68 1wek n GLY 69 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 3.48 -0.00 1.61 0.40 0.99 -4.43 117.98 118.02 1wek s PHE 70 Ca 0.00 0.19 -0.00 0.00 -0.60 0.00 0.00 56.93 56.51 1wek s PHE 70 Cb 0.00 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 1wek s PHE 70 CO 0.00 0.35 0.08 0.20 0.70 0.00 0.00 175.22 176.55 1wek s GLY 71 N -3.71 2.02 -0.03 4.36 0.00 -0.45 -3.65 107.32 105.86 1wek s GLY 71 Ca 0.37 -0.87 -0.01 0.00 0.00 0.00 0.00 44.72 44.21 1wek s GLY 71 CO 0.31 -0.75 0.03 -1.34 0.00 0.00 0.00 173.10 171.35 1wek s VAL 72 N -1.20 4.45 -0.15 1.40 -7.23 -0.45 -1.50 120.40 115.72 1wek s VAL 72 Ca 0.23 -0.39 0.01 0.00 -1.81 0.00 0.00 61.98 60.01 1wek s VAL 72 Cb -0.12 -2.96 0.02 0.00 0.56 0.00 0.00 36.38 33.88 1wek s VAL 72 CO 0.14 0.45 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.54 1wek s VAL 73 N -1.06 1.63 0.43 1.32 1.01 -0.47 0.32 120.40 123.59 1wek s VAL 73 Ca 0.18 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.52 1wek s VAL 73 Cb -0.12 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1wek s VAL 73 CO 0.09 0.47 0.15 0.42 0.00 0.00 0.00 175.10 176.22 1wek s THR 74 N 1.36 0.50 -2.01 3.92 -4.23 0.53 -1.37 115.64 114.33 1wek s THR 74 Ca 0.03 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.62 1wek s THR 74 Cb -0.13 -2.26 0.24 0.00 1.34 0.00 0.00 72.50 71.69 1wek s THR 74 CO -0.09 0.00 1.31 0.61 -0.54 0.00 0.00 174.62 175.91 1wek n GLY 75 N -0.98 -0.90 3.30 3.99 0.00 -1.26 0.35 105.19 109.69 1wek n GLY 75 Ca -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1wek n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wek n GLY 76 N 0.66 0.28 0.00 -0.02 0.00 -1.26 -3.12 105.19 101.73 1wek n GLY 76 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.41 -0.49 0.00 -0.02 0.00 -1.26 -1.26 105.19 100.75 1wek n GLY 77 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.42 0.06 0.00 1.61 -0.02 -1.26 -2.60 135.00 132.36 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 4.88 3.23 1.49 -1.23 0.00 -1.21 -3.11 105.19 109.25 1wek n GLY 79 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.13 0.00 1.61 0.31 0.12 -1.64 118.33 118.86 1wek n VAL 80 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1wek n VAL 80 Cb 0.00 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.13 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 1.47 0.00 -0.26 5.55 2.13 -1.07 -0.84 120.64 127.62 1wek n GLU 82 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 1wek n GLU 82 Cb 0.04 0.00 0.15 0.00 0.27 0.00 0.00 31.44 31.90 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 1.04 -0.50 4.31 0.00 -1.63 0.31 119.26 122.79 1wek h ALA 83 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1wek h ALA 83 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1wek h ALA 83 CO 0.00 -0.02 0.14 0.28 0.00 0.00 0.00 179.25 179.65 1wek h VAL 84 N 0.64 1.23 -0.63 0.00 2.07 -1.09 0.48 116.25 118.95 1wek h VAL 84 Ca 0.37 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 1wek h VAL 84 Cb 0.39 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1wek h VAL 84 CO -0.27 0.29 0.04 0.78 0.02 0.00 0.00 177.57 178.43 1wek h ASN 85 N 0.69 1.06 -0.22 0.57 -0.26 -1.62 -2.84 115.58 112.96 1wek h ASN 85 Ca 0.16 -0.29 -0.01 0.00 -0.56 0.00 0.00 56.30 55.60 1wek h ASN 85 Cb 0.30 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 1wek h ASN 85 CO -0.00 1.09 0.09 -0.09 -1.06 0.00 0.00 177.43 177.45 1wek h ARG 86 N 1.00 0.33 -0.82 0.81 2.43 -0.15 0.39 114.38 118.39 1wek h ARG 86 Ca 0.18 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.35 1wek h ARG 86 Cb 0.52 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.96 1wek h ARG 86 CO 0.02 0.39 0.50 0.78 -1.51 0.00 0.00 179.97 180.16 1wek h GLY 87 N 0.20 1.23 0.53 2.80 0.00 -0.87 0.13 103.07 107.09 1wek h GLY 87 Ca 0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1wek h GLY 87 CO -0.01 0.24 -0.09 0.00 0.00 0.00 0.00 176.54 176.68 1wek h ALA 88 N 1.39 -0.25 -0.16 3.60 0.00 -1.28 -2.83 119.26 119.73 1wek h ALA 88 Ca 0.36 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1wek h ALA 88 Cb 0.18 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1wek h ALA 88 CO -0.18 -0.40 -0.40 -0.92 0.00 0.00 0.00 179.25 177.34 1wek h TYR 89 N -0.73 -1.16 0.00 0.00 3.20 0.07 -0.22 116.97 118.14 1wek h TYR 89 Ca -0.03 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1wek h TYR 89 Cb 0.50 0.53 0.00 0.00 1.54 0.00 0.00 36.73 39.30 1wek h TYR 89 CO 0.06 -0.46 0.00 0.93 -1.64 0.00 0.00 178.16 177.05 1wek h GLU 90 N -0.46 0.00 -0.70 1.82 5.08 -0.83 0.63 114.58 120.12 1wek h GLU 90 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1wek h GLU 90 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1wek h GLU 90 CO -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.60 1wek n ALA 91 N -1.81 2.51 -1.38 3.43 0.00 -0.48 -4.93 120.51 117.85 1wek n ALA 91 Ca -0.00 -1.28 -0.06 0.00 0.00 0.00 0.00 53.44 52.10 1wek n ALA 91 Cb 0.12 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 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 1.53 0.69 4.00 0.00 0.00 0.21 -4.79 105.19 106.83 1wek n GLY 92 Ca 0.24 -0.75 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.89 1.92 -0.03 -0.02 0.00 -0.22 -5.01 107.32 101.07 1wek s GLY 93 Ca 0.00 -1.59 -0.30 0.00 0.00 0.00 0.00 44.72 42.83 1wek s GLY 93 CO 0.00 -1.38 1.48 0.14 0.00 0.00 0.00 173.10 173.34 1wek s VAL 94 N -2.46 3.67 -0.21 1.40 1.01 -1.26 -4.30 120.40 118.25 1wek s VAL 94 Ca 0.56 0.98 0.02 0.00 0.00 0.00 0.00 61.98 63.53 1wek s VAL 94 Cb -0.10 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.69 1wek s VAL 94 CO 0.34 -0.03 -0.13 -0.55 0.00 0.00 0.00 175.10 174.73 1wek s SER 95 N 2.33 3.62 -0.06 3.32 0.15 -1.26 -1.35 113.70 120.45 1wek s SER 95 Ca 0.66 -0.97 -0.00 0.00 0.70 0.00 0.00 55.95 56.34 1wek s SER 95 Cb -0.32 -1.39 -0.03 0.00 -1.71 0.00 0.00 66.02 62.57 1wek s SER 95 CO 0.26 -0.12 -0.03 -0.69 1.20 0.00 0.00 173.24 173.86 1wek s VAL 96 N 1.28 4.01 -0.09 4.45 1.01 0.15 0.22 120.40 131.44 1wek s VAL 96 Ca -0.02 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1wek s VAL 96 Cb -0.16 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.54 1wek s VAL 96 CO -0.09 0.56 -0.17 -0.83 0.00 0.00 0.00 175.10 174.58 1wek s GLY 97 N -0.97 1.03 -0.93 4.51 0.00 -0.50 -0.35 107.32 110.11 1wek s GLY 97 Ca 0.14 -0.67 -0.01 0.00 0.00 0.00 0.00 44.72 44.17 1wek s GLY 97 CO 0.03 0.03 1.12 1.04 0.00 0.00 0.00 173.10 175.32 1wek n LEU 98 N 3.85 5.21 -4.74 0.66 4.77 0.16 -1.59 117.00 125.33 1wek n LEU 98 Ca -0.21 -5.25 -0.42 0.00 -0.03 0.00 0.00 56.01 50.11 1wek n LEU 98 Cb 0.52 -1.10 -0.02 0.00 -2.33 0.00 0.00 43.42 40.49 1wek n LEU 98 CO 0.26 1.74 1.24 0.20 -1.33 0.00 0.00 177.39 179.49 1wek s ASN 99 N -1.38 6.46 -0.15 -1.43 -0.87 0.16 -4.51 114.94 113.21 1wek s ASN 99 Ca 0.33 2.84 -0.05 0.00 -1.57 0.00 0.00 52.86 54.40 1wek s ASN 99 Cb 0.04 -2.62 -0.04 0.00 -0.02 0.00 0.00 41.25 38.61 1wek s ASN 99 CO 0.01 -0.87 0.03 -0.51 -2.57 0.00 0.00 177.10 173.19 1wek s ILE 100 N 0.35 4.51 -0.32 0.60 1.10 -1.26 -0.50 121.20 125.68 1wek s ILE 100 Ca 0.65 -0.14 -0.26 0.00 -0.51 0.00 0.00 60.65 60.39 1wek s ILE 100 Cb -0.46 -2.99 0.01 0.00 0.15 0.00 0.00 42.46 39.17 1wek s ILE 100 CO 0.42 0.51 0.92 -1.61 -2.11 0.00 0.00 174.94 173.08 1wek s GLU 101 N 0.00 4.00 0.19 3.50 2.02 0.03 -4.88 118.70 123.56 1wek s GLU 101 Ca 0.04 0.80 0.11 0.00 0.02 0.00 0.00 54.97 55.95 1wek s GLU 101 Cb -0.13 -3.74 -0.04 0.00 0.10 0.00 0.00 34.13 30.32 1wek s GLU 101 CO 0.01 -0.79 -0.23 -0.51 0.02 0.00 0.00 175.26 173.76 1wek s LEU 102 N 3.29 2.46 0.30 1.80 1.43 -1.26 -4.85 118.68 121.85 1wek s LEU 102 Ca 0.38 -0.84 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1wek s LEU 102 Cb -0.13 -1.20 0.73 0.00 0.03 0.00 0.00 46.19 45.62 1wek s LEU 102 CO 0.14 0.12 1.74 -0.65 0.23 0.00 0.00 176.35 177.94 1wek h PRO 103 N 3.22 0.60 -2.85 1.29 0.11 -2.01 -2.24 132.00 130.11 1wek h PRO 103 Ca -0.47 -0.04 -0.65 0.00 0.11 0.00 0.00 66.00 64.95 1wek h PRO 103 Cb 1.21 -0.14 -0.39 0.00 0.11 0.00 0.00 31.00 31.79 1wek h PRO 103 CO 0.48 0.40 -0.33 0.72 -0.21 0.00 0.00 178.00 179.06 1wek n HIS 104 N -4.87 3.57 -1.61 0.65 8.25 -1.26 -5.07 115.22 114.88 1wek n HIS 104 Ca 0.23 -4.07 -0.50 0.00 -0.26 0.00 0.00 57.72 53.12 1wek n HIS 104 Cb 0.61 -0.80 -0.05 0.00 1.12 0.00 0.00 29.99 30.86 1wek n HIS 104 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1wek n GLU 105 N 1.64 1.44 -3.86 -0.41 -0.58 -0.84 -5.01 120.64 113.03 1wek n GLU 105 Ca 0.24 0.52 -0.32 0.00 -0.42 0.00 0.00 57.16 57.18 1wek n GLU 105 Cb 0.37 -2.17 -0.05 0.00 -0.57 0.00 0.00 31.44 29.03 1wek n GLU 105 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1wek s GLN 106 N 0.36 3.49 0.22 3.49 -0.21 -1.26 -5.06 119.66 120.68 1wek s GLN 106 Ca 0.80 -0.30 -0.23 0.00 0.02 0.00 0.00 55.36 55.65 1wek s GLN 106 Cb -0.85 -3.04 -0.08 0.00 1.00 0.00 0.00 33.01 30.04 1wek s GLN 106 CO 0.46 0.61 0.78 0.15 -2.12 0.00 0.00 175.29 175.18 1wek s LYS 107 N -2.25 4.43 0.25 2.91 3.01 -1.26 -4.99 119.74 121.84 1wek s LYS 107 Ca 0.32 1.06 -0.30 0.00 -1.01 0.00 0.00 55.97 56.04 1wek s LYS 107 Cb -0.13 -3.01 -0.10 0.00 -1.01 0.00 0.00 37.83 33.57 1wek s LYS 107 CO 0.23 0.44 1.49 -2.14 0.51 0.00 0.00 175.35 175.89 1wek s PRO 108 N -1.67 4.22 0.98 -1.68 0.02 -1.26 -4.49 135.00 131.12 1wek s PRO 108 Ca 0.41 2.38 -0.12 0.00 0.02 0.00 0.00 61.00 63.70 1wek s PRO 108 Cb -0.19 -3.09 0.18 0.00 0.02 0.00 0.00 34.50 31.41 1wek s PRO 108 CO 0.23 -0.49 1.08 0.54 -0.33 0.00 0.00 177.00 178.04 1wek s ASN 109 N 0.46 2.60 -0.17 2.53 2.20 -0.39 -4.92 114.94 117.26 1wek s ASN 109 Ca 0.61 1.64 0.11 0.00 -0.94 0.00 0.00 52.86 54.29 1wek s ASN 109 Cb -0.44 -2.29 0.62 0.00 -2.00 0.00 0.00 41.25 37.15 1wek s ASN 109 CO 0.43 -3.21 1.46 -2.65 -2.94 0.00 0.00 177.10 170.19 1wek n PRO 110 N -4.27 3.86 -1.89 3.55 -0.02 -1.26 -4.47 135.00 130.50 1wek n PRO 110 Ca 0.07 -2.39 -0.29 0.00 -2.02 0.00 0.00 63.50 58.86 1wek n PRO 110 Cb 0.54 -2.04 0.04 0.00 -0.02 0.00 0.00 33.50 32.02 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 0.54 3.02 -4.08 6.00 4.02 -1.26 -4.98 117.16 120.42 1wek n TYR 111 Ca 0.21 -2.61 -0.34 0.00 -0.01 0.00 0.00 57.90 55.15 1wek n TYR 111 Cb 0.94 -0.70 -0.14 0.00 -0.02 0.00 0.00 39.34 39.41 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 -3.70 3.35 0.45 -0.72 -0.21 -1.26 -4.45 119.66 113.11 1wek s GLN 112 Ca 0.55 -0.65 0.25 0.00 0.02 0.00 0.00 55.36 55.52 1wek s GLN 112 Cb 0.44 -2.90 0.78 0.00 1.00 0.00 0.00 33.01 32.33 1wek s GLN 112 CO -0.06 -0.12 1.76 1.15 -2.12 0.00 0.00 175.29 175.91 1wek h THR 113 N 5.67 0.30 -2.63 -0.19 2.02 0.23 -3.42 112.91 114.88 1wek h THR 113 Ca -0.39 -1.07 -0.20 0.00 0.77 0.00 0.00 66.41 65.52 1wek h THR 113 Cb 1.17 1.84 -0.32 0.00 -1.74 0.00 0.00 68.15 69.10 1wek h THR 113 CO 0.60 0.14 -0.51 -1.00 0.37 0.00 0.00 175.52 175.12 1wek s HIS 114 N -3.45 -0.52 -0.12 3.16 3.76 -0.71 -4.92 115.29 112.49 1wek s HIS 114 Ca 0.03 0.94 0.02 0.00 -0.15 0.00 0.00 55.06 55.90 1wek s HIS 114 Cb 0.08 -0.02 -0.01 0.00 1.11 0.00 0.00 32.58 33.75 1wek s HIS 114 CO 0.63 -0.46 -0.18 0.00 -0.85 0.00 0.00 174.74 173.88 1wek s ALA 115 N 2.46 2.40 -0.03 -1.40 0.00 -1.26 -1.40 121.76 122.52 1wek s ALA 115 Ca 0.03 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.09 1wek s ALA 115 Cb -0.13 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 1wek s ALA 115 CO -0.11 0.19 -0.22 -0.51 0.00 0.00 0.00 175.76 175.12 1wek s LEU 116 N 0.46 2.03 -0.17 0.00 1.43 -0.62 -5.00 118.68 116.82 1wek s LEU 116 Ca -0.13 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1wek s LEU 116 Cb -0.17 -1.16 -0.00 0.00 0.03 0.00 0.00 46.19 44.89 1wek s LEU 116 CO 0.05 0.25 -0.12 -0.94 0.23 0.00 0.00 176.35 175.83 1wek s SER 117 N -0.39 3.84 -0.01 2.29 1.04 -1.26 -0.66 113.70 118.55 1wek s SER 117 Ca 0.05 -0.44 0.08 0.00 0.48 0.00 0.00 55.95 56.12 1wek s SER 117 Cb -0.10 -1.61 -0.02 0.00 0.10 0.00 0.00 66.02 64.39 1wek s SER 117 CO 0.00 0.06 -0.25 -0.76 0.98 0.00 0.00 173.24 173.27 1wek s LEU 118 N 0.98 2.07 0.20 2.42 1.43 0.34 -4.99 118.68 121.12 1wek s LEU 118 Ca -0.02 -0.47 0.18 0.00 -1.03 0.00 0.00 54.13 52.80 1wek s LEU 118 Cb -0.15 -1.26 0.01 0.00 0.03 0.00 0.00 46.19 44.82 1wek s LEU 118 CO -0.02 0.29 1.14 0.03 0.23 0.00 0.00 176.35 178.02 1wek h ARG 119 N 5.40 0.00 -5.17 1.70 2.47 -1.88 0.12 114.38 117.02 1wek h ARG 119 Ca -0.43 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 57.65 1wek h ARG 119 Cb 1.13 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.20 1wek h ARG 119 CO 0.47 0.24 -0.70 0.71 0.56 0.00 0.00 179.97 181.25 1wek s TYR 120 N -3.07 2.97 0.19 3.04 1.51 -1.26 -4.63 117.35 116.09 1wek s TYR 120 Ca 0.01 -0.59 -0.12 0.00 -1.01 0.00 0.00 57.07 55.36 1wek s TYR 120 Cb 0.08 -2.01 0.20 0.00 -0.11 0.00 0.00 41.96 40.11 1wek s TYR 120 CO 0.77 -0.27 1.76 0.74 -1.11 0.00 0.00 175.55 177.44 1wek h PHE 121 N 7.33 0.40 -0.85 2.71 -1.00 -1.97 -2.44 116.94 121.12 1wek h PHE 121 Ca -0.34 0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.49 1wek h PHE 121 Cb 1.18 -0.10 -0.05 0.00 3.61 0.00 0.00 35.95 40.59 1wek h PHE 121 CO 0.56 0.15 0.55 0.27 -1.61 0.00 0.00 178.31 178.23 1wek h PHE 122 N 0.43 1.03 -0.25 -0.55 -5.15 -1.99 0.91 116.94 111.37 1wek h PHE 122 Ca 0.26 0.03 -0.00 0.00 -0.20 0.00 0.00 57.97 58.05 1wek h PHE 122 Cb 0.25 -0.34 -0.01 0.00 0.22 0.00 0.00 35.95 36.07 1wek h PHE 122 CO -0.14 0.60 0.15 0.28 -2.00 0.00 0.00 178.31 177.19 1wek h VAL 123 N 1.07 1.11 -0.85 0.88 2.07 -1.88 -1.87 116.25 116.78 1wek h VAL 123 Ca 0.34 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.64 1wek h VAL 123 Cb 0.00 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 1wek h VAL 123 CO -0.11 0.10 0.53 -0.09 0.02 0.00 0.00 177.57 178.02 1wek h ARG 124 N 0.31 0.95 -0.30 1.57 2.43 -0.95 -1.75 114.38 116.64 1wek h ARG 124 Ca 0.09 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1wek h ARG 124 Cb 0.04 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1wek h ARG 124 CO -0.02 0.63 -0.04 0.87 -1.51 0.00 0.00 179.97 179.90 1wek h LYS 125 N 0.98 0.47 -0.19 0.20 1.79 -0.48 -1.65 116.57 117.70 1wek h LYS 125 Ca 0.36 -0.11 -0.07 0.00 -2.18 0.00 0.00 60.65 58.66 1wek h LYS 125 Cb 0.13 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1wek h LYS 125 CO -0.16 0.54 -0.15 0.28 -1.08 0.00 0.00 179.45 178.88 1wek h VAL 126 N 0.45 1.33 0.00 0.50 2.07 -0.55 -2.95 116.25 117.09 1wek h VAL 126 Ca 0.09 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 1wek h VAL 126 Cb 0.36 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1wek h VAL 126 CO 0.02 0.38 -0.12 -0.07 0.02 0.00 0.00 177.57 177.80 1wek h LEU 127 N 0.10 0.00 -1.16 2.57 3.38 -1.04 -0.33 115.31 118.83 1wek h LEU 127 Ca 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1wek h LEU 127 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1wek h LEU 127 CO 0.04 0.12 -0.35 -0.26 0.09 0.00 0.00 178.44 178.08 1wek h PHE 128 N 0.00 0.00 0.00 1.13 0.05 -1.13 -3.36 116.94 113.63 1wek h PHE 128 Ca -0.00 0.00 -0.23 0.00 3.82 0.00 0.00 57.97 61.56 1wek h PHE 128 Cb 0.31 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 38.22 1wek h PHE 128 CO 0.00 0.35 -1.88 1.33 -0.18 0.00 0.00 178.31 177.92 1wek n VAL 129 N -3.70 0.89 -0.33 -0.55 0.24 -0.86 -4.34 118.33 109.69 1wek n VAL 129 Ca -0.01 -0.39 0.27 0.00 -2.04 0.00 0.00 64.34 62.17 1wek n VAL 129 Cb 0.45 -0.96 0.52 0.00 -1.47 0.00 0.00 33.84 32.37 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 0.15 -0.08 7.34 2.43 -1.22 -1.18 114.38 121.82 1wek h ARG 130 Ca -0.35 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1wek h ARG 130 Cb 1.60 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.12 1wek h ARG 130 CO -0.04 0.10 0.00 0.66 -1.51 0.00 0.00 179.97 179.18 1wek n TYR 131 N -5.17 0.28 -3.39 2.20 4.02 -1.26 -5.06 117.16 108.78 1wek n TYR 131 Ca 0.34 -0.94 -0.33 0.00 -0.01 0.00 0.00 57.90 56.96 1wek n TYR 131 Cb 1.11 -0.19 -0.06 0.00 -0.02 0.00 0.00 39.34 40.18 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 -2.77 3.57 -0.89 -0.72 0.00 -0.45 -4.14 121.76 116.36 1wek s ALA 132 Ca 0.34 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 52.16 1wek s ALA 132 Cb 0.29 -2.47 0.12 0.00 0.00 0.00 0.00 23.12 21.06 1wek s ALA 132 CO 0.05 0.49 0.92 1.33 0.00 0.00 0.00 175.76 178.54 1wek n VAL 133 N 0.25 0.37 0.00 0.00 0.24 -0.25 -4.98 118.33 113.96 1wek n VAL 133 Ca -0.02 -0.69 0.00 0.00 -2.04 0.00 0.00 64.34 61.59 1wek n VAL 133 Cb 0.52 0.92 0.00 0.00 -1.47 0.00 0.00 33.84 33.81 1wek n VAL 133 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wek n GLY 134 N 0.38 0.82 2.80 7.63 0.00 -1.26 -4.18 105.19 111.37 1wek n GLY 134 Ca 0.06 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 1wek n GLY 134 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wek s PHE 135 N -2.00 0.15 -0.15 1.61 0.40 -0.44 -1.86 117.98 115.70 1wek s PHE 135 Ca 0.00 0.07 0.02 0.00 -0.60 0.00 0.00 56.93 56.41 1wek s PHE 135 Cb 0.00 -0.30 0.02 0.00 0.51 0.00 0.00 43.02 43.25 1wek s PHE 135 CO 0.00 -0.10 -0.20 0.08 0.70 0.00 0.00 175.22 175.70 1wek s VAL 136 N 0.99 1.93 -0.31 -0.44 1.01 -0.49 -0.73 120.40 122.36 1wek s VAL 136 Ca -0.09 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 1wek s VAL 136 Cb -0.13 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.54 1wek s VAL 136 CO -0.02 0.52 0.08 -0.36 0.00 0.00 0.00 175.10 175.32 1wek s PHE 137 N 1.08 3.18 0.39 5.22 0.40 0.64 -0.48 117.98 128.40 1wek s PHE 137 Ca -0.01 -1.16 0.03 0.00 -0.60 0.00 0.00 56.93 55.19 1wek s PHE 137 Cb -0.14 -2.25 -0.01 0.00 0.51 0.00 0.00 43.02 41.13 1wek s PHE 137 CO -0.07 -0.64 0.57 -0.51 0.70 0.00 0.00 175.22 175.27 1wek s LEU 138 N 1.46 3.83 0.17 -0.37 1.43 0.20 -0.72 118.68 124.68 1wek s LEU 138 Ca 0.01 0.10 -0.32 0.00 -1.03 0.00 0.00 54.13 52.89 1wek s LEU 138 Cb -0.18 -2.99 -0.16 0.00 0.03 0.00 0.00 46.19 42.89 1wek s LEU 138 CO 0.02 -0.54 1.02 -2.65 0.23 0.00 0.00 176.35 174.44 1wek n PRO 139 N -1.85 0.86 -0.78 1.29 -0.02 -1.26 -4.37 135.00 128.86 1wek n PRO 139 Ca -0.00 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1wek n PRO 139 Cb 0.58 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 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 1.85 2.30 0.00 -1.23 0.00 -1.26 -0.10 105.19 106.74 1wek n GLY 140 Ca 0.15 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1wek n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wek n GLY 141 N 0.00 3.39 0.38 -0.02 0.00 -1.26 -4.82 105.19 102.86 1wek n GLY 141 Ca 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.36 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 1.25 -0.68 1.61 0.05 -2.01 -2.13 116.94 115.03 1wek h PHE 142 Ca 0.00 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.79 1wek h PHE 142 Cb 0.00 -0.42 -0.03 0.00 2.00 0.00 0.00 35.95 37.50 1wek h PHE 142 CO 0.00 0.80 0.34 0.78 -0.18 0.00 0.00 178.31 180.04 1wek h GLY 143 N 1.34 1.03 1.08 -1.45 0.00 -1.98 -1.69 103.07 101.41 1wek h GLY 143 Ca 0.36 -0.50 -0.17 0.00 0.00 0.00 0.00 47.33 47.02 1wek h GLY 143 CO -0.08 0.48 -0.49 -0.84 0.00 0.00 0.00 176.54 175.61 1wek h THR 144 N 0.93 1.29 -0.57 4.70 2.02 -1.84 -2.73 112.91 116.71 1wek h THR 144 Ca 0.23 -1.68 -0.00 0.00 0.77 0.00 0.00 66.41 65.73 1wek h THR 144 Cb 0.10 1.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 1wek h THR 144 CO -0.03 0.54 0.35 0.25 0.37 0.00 0.00 175.52 177.00 1wek h LEU 145 N 0.56 0.69 -0.76 2.58 7.12 -1.26 -0.52 115.31 123.72 1wek h LEU 145 Ca 0.01 -0.05 0.05 0.00 0.13 0.00 0.00 57.88 58.02 1wek h LEU 145 Cb 1.10 -0.17 -0.05 0.00 -0.53 0.00 0.00 40.66 41.00 1wek h LEU 145 CO 0.11 0.54 0.47 -0.78 -0.13 0.00 0.00 178.44 178.65 1wek h ASP 146 N 0.78 0.74 -0.43 1.25 3.58 -1.27 0.10 116.42 121.16 1wek h ASP 146 Ca 0.21 0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.52 1wek h ASP 146 Cb -0.03 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 1wek h ASP 146 CO -0.04 0.49 -0.32 -0.33 -2.88 0.00 0.00 179.24 176.16 1wek h GLU 147 N 0.88 0.97 0.12 0.28 4.39 -1.11 -2.40 114.58 117.71 1wek h GLU 147 Ca 0.32 -0.47 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 1wek h GLU 147 Cb 0.11 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1wek h GLU 147 CO -0.15 1.14 -0.06 1.25 -1.16 0.00 0.00 179.01 180.03 1wek h LEU 148 N 0.81 -0.14 -1.32 1.33 6.46 -0.53 -2.29 115.31 119.63 1wek h LEU 148 Ca 0.08 -0.14 -0.04 0.00 -0.12 0.00 0.00 57.88 57.66 1wek h LEU 148 Cb 0.91 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.86 1wek h LEU 148 CO 0.08 0.06 0.05 0.77 -0.62 0.00 0.00 178.44 178.78 1wek h SER 149 N -0.33 0.46 -0.01 1.25 4.64 -0.86 -1.39 113.55 117.32 1wek h SER 149 Ca -0.02 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1wek h SER 149 Cb 0.27 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1wek h SER 149 CO 0.03 0.50 0.00 -0.08 -0.87 0.00 0.00 176.83 176.41 1wek h GLU 150 N 0.49 0.01 -0.48 4.77 4.81 -1.27 -2.50 114.58 120.41 1wek h GLU 150 Ca 0.11 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1wek h GLU 150 Cb 0.25 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1wek h GLU 150 CO 0.00 0.26 0.10 -0.39 -0.73 0.00 0.00 179.01 178.25 1wek h VAL 151 N -0.24 1.21 -0.66 0.32 -1.51 -1.19 -1.90 116.25 112.29 1wek h VAL 151 Ca 0.00 -0.78 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 1wek h VAL 151 Cb 0.25 0.75 -0.03 0.00 -2.13 0.00 0.00 31.29 30.13 1wek h VAL 151 CO 0.00 0.29 0.42 -0.07 -1.23 0.00 0.00 177.57 176.97 1wek h LEU 152 N 0.70 0.78 -0.25 4.19 3.38 -1.18 -0.55 115.31 122.39 1wek h LEU 152 Ca 0.16 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1wek h LEU 152 Cb 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1wek h LEU 152 CO 0.00 0.59 0.16 0.58 0.09 0.00 0.00 178.44 179.86 1wek h VAL 153 N 0.90 1.08 -0.59 1.22 2.07 -1.03 0.31 116.25 120.21 1wek h VAL 153 Ca 0.24 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1wek h VAL 153 Cb -0.06 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1wek h VAL 153 CO -0.05 0.08 0.38 -0.07 0.02 0.00 0.00 177.57 177.94 1wek h LEU 154 N 0.32 0.68 0.04 2.57 3.38 -0.94 -1.35 115.31 120.01 1wek h LEU 154 Ca 0.09 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1wek h LEU 154 Cb -0.00 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.58 1wek h LEU 154 CO -0.02 0.50 -0.32 -0.07 0.09 0.00 0.00 178.44 178.62 1wek h LEU 155 N 0.80 0.21 -0.68 1.67 3.38 -0.74 0.38 115.31 120.33 1wek h LEU 155 Ca 0.21 -0.92 0.08 0.00 0.09 0.00 0.00 57.88 57.35 1wek h LEU 155 Cb -0.08 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 1wek h LEU 155 CO -0.05 1.11 0.34 -0.61 0.09 0.00 0.00 178.44 179.32 1wek h GLN 156 N -0.66 0.59 -0.01 1.13 4.15 -0.19 -1.21 115.11 118.90 1wek h GLN 156 Ca -0.05 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1wek h GLN 156 Cb 1.19 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1wek h GLN 156 CO 0.06 0.39 -0.04 0.25 -1.93 0.00 0.00 178.83 177.56 1wek n THR 157 N -4.85 0.00 -2.85 2.39 -2.24 -0.53 -4.96 114.28 101.23 1wek n THR 157 Ca 0.10 -0.20 -0.19 0.00 -2.27 0.00 0.00 64.05 61.49 1wek n THR 157 Cb 0.24 0.35 0.03 0.00 -2.10 0.00 0.00 70.33 68.85 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 -0.12 -3.93 0.10 -0.78 1.02 -0.46 -4.91 120.64 111.57 1wek n GLU 158 Ca 0.18 0.77 0.13 0.00 -0.02 0.00 0.00 57.16 58.23 1wek n GLU 158 Cb 0.32 -5.32 0.40 0.00 -0.02 0.00 0.00 31.44 26.82 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 -3.44 0.26 -4.03 3.49 4.76 0.08 -4.84 118.16 114.44 1wek n LYS 159 Ca -0.10 0.21 -0.08 0.00 -2.87 0.00 0.00 58.31 55.47 1wek n LYS 159 Cb 0.61 -1.80 -0.09 0.00 -1.84 0.00 0.00 35.03 31.90 1wek n LYS 159 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1wek s VAL 160 N -3.10 0.20 0.49 -0.18 -7.23 -1.19 -5.07 120.40 104.32 1wek s VAL 160 Ca 0.11 -1.63 -0.24 0.00 -1.81 0.00 0.00 61.98 58.41 1wek s VAL 160 Cb 0.12 -1.43 -0.07 0.00 0.56 0.00 0.00 36.38 35.57 1wek s VAL 160 CO 0.60 -0.90 1.38 1.57 -0.31 0.00 0.00 175.10 177.44 1wek n HIS 161 N 0.14 2.45 -0.93 2.82 -0.00 -1.26 -4.69 115.22 113.74 1wek n HIS 161 Ca -0.15 0.44 -0.28 0.00 0.46 0.00 0.00 57.72 58.20 1wek n HIS 161 Cb 0.61 -2.41 -0.02 0.00 -0.12 0.00 0.00 29.99 28.05 1wek n HIS 161 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1wek n ARG 162 N -0.49 2.53 -1.08 1.57 3.00 -1.26 -4.95 116.66 115.99 1wek n ARG 162 Ca 0.07 -1.70 -0.30 0.00 -0.00 0.00 0.00 57.85 55.92 1wek n ARG 162 Cb 0.42 -2.58 0.13 0.00 0.00 0.00 0.00 32.46 30.43 1wek n ARG 162 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1wek s PHE 163 N 3.12 2.22 0.37 -0.14 0.40 -1.26 -4.94 117.98 117.75 1wek s PHE 163 Ca 0.49 1.49 -0.28 0.00 -0.60 0.00 0.00 56.93 58.02 1wek s PHE 163 Cb 0.13 -3.15 -0.11 0.00 0.51 0.00 0.00 43.02 40.40 1wek s PHE 163 CO -0.04 -2.33 1.45 -2.14 0.70 0.00 0.00 175.22 172.87 1wek s PRO 164 N -4.83 4.14 -0.11 0.24 0.02 -1.26 -4.88 135.00 128.31 1wek s PRO 164 Ca 0.63 2.50 0.01 0.00 0.02 0.00 0.00 61.00 64.17 1wek s PRO 164 Cb -0.19 -2.98 0.02 0.00 0.02 0.00 0.00 34.50 31.37 1wek s PRO 164 CO 0.57 -0.48 -0.14 0.08 -0.33 0.00 0.00 177.00 176.71 1wek s VAL 165 N -1.13 1.43 0.08 3.83 1.01 -1.26 -1.32 120.40 123.04 1wek s VAL 165 Ca 0.52 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 62.00 1wek s VAL 165 Cb -0.45 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1wek s VAL 165 CO 0.61 0.43 -0.23 -0.36 0.00 0.00 0.00 175.10 175.55 1wek s PHE 166 N 1.16 1.97 -0.21 5.22 0.40 0.09 -0.66 117.98 125.95 1wek s PHE 166 Ca -0.03 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 55.92 1wek s PHE 166 Cb -0.14 -1.12 0.04 0.00 0.51 0.00 0.00 43.02 42.31 1wek s PHE 166 CO -0.04 0.19 -0.15 -0.51 0.70 0.00 0.00 175.22 175.41 1wek s LEU 167 N -1.64 2.54 -0.03 -0.37 1.43 0.27 -0.26 118.68 120.62 1wek s LEU 167 Ca 0.09 -0.92 -0.18 0.00 -1.03 0.00 0.00 54.13 52.08 1wek s LEU 167 Cb -0.10 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 1wek s LEU 167 CO 0.04 -0.09 0.52 -0.76 0.23 0.00 0.00 176.35 176.28 1wek s LEU 168 N 1.27 4.40 0.00 1.79 1.43 0.10 -0.89 118.68 126.77 1wek s LEU 168 Ca -0.01 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 1wek s LEU 168 Cb -0.16 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.28 1wek s LEU 168 CO -0.09 0.14 0.00 -0.67 0.23 0.00 0.00 176.35 175.95 1wek n ASP 169 N 2.72 -1.25 -0.15 2.29 -0.08 0.33 -4.03 116.55 116.39 1wek n ASP 169 Ca -0.09 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.14 1wek n ASP 169 Cb 0.51 -0.62 0.01 0.00 2.34 0.00 0.00 41.12 43.36 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 -0.15 0.00 -0.67 3.08 -1.83 -1.95 114.38 112.85 1wek h ARG 170 Ca 0.00 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1wek h ARG 170 Cb 0.00 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1wek h ARG 170 CO 0.00 -0.10 -0.01 0.78 -1.07 0.00 0.00 179.97 179.57 1wek h GLY 171 N -0.15 0.00 1.01 0.04 0.00 -1.96 -1.50 103.07 100.51 1wek h GLY 171 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.35 1wek h GLY 171 CO -0.56 0.00 -0.71 -1.82 0.00 0.00 0.00 176.54 173.45 1wek h TYR 172 N 0.00 0.86 0.00 5.60 3.20 -1.71 -3.29 116.97 121.63 1wek h TYR 172 Ca -0.00 -0.42 0.00 0.00 3.14 0.00 0.00 58.73 61.45 1wek h TYR 172 Cb 0.02 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.17 1wek h TYR 172 CO 0.00 1.23 -0.33 0.91 -1.64 0.00 0.00 178.16 178.33 1wek n TRP 173 N -4.07 0.23 -0.38 -3.82 7.02 -1.03 -4.44 117.44 110.95 1wek n TRP 173 Ca -0.09 0.07 -0.02 0.00 -1.02 0.00 0.00 57.50 56.44 1wek n TRP 173 Cb 0.71 -0.49 0.03 0.00 -2.42 0.00 0.00 31.31 29.14 1wek n TRP 173 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1wek n GLU 174 N -1.73 -0.25 -0.09 -0.99 4.07 -0.59 -0.84 120.64 120.22 1wek n GLU 174 Ca 0.05 1.51 -0.06 0.00 -0.06 0.00 0.00 57.16 58.60 1wek n GLU 174 Cb 0.37 -2.24 0.01 0.00 -0.06 0.00 0.00 31.44 29.52 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 0.36 0.92 8.31 0.00 -1.83 -0.34 103.07 110.49 1wek h GLY 175 Ca 0.33 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.64 1wek h GLY 175 CO -0.97 -0.03 0.08 -2.00 0.00 0.00 0.00 176.54 173.63 1wek h LEU 176 N 0.17 0.21 -0.93 3.11 6.46 -1.29 -1.57 115.31 121.47 1wek h LEU 176 Ca 0.15 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1wek h LEU 176 Cb 0.17 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 1wek h LEU 176 CO -0.21 0.26 0.57 0.58 -0.62 0.00 0.00 178.44 179.01 1wek h VAL 177 N 0.14 1.25 -0.53 1.05 2.07 -0.98 0.12 116.25 119.38 1wek h VAL 177 Ca 0.06 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 1wek h VAL 177 Cb 0.10 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.79 1wek h VAL 177 CO -0.01 0.26 0.19 0.03 0.02 0.00 0.00 177.57 178.06 1wek h ARG 178 N 1.28 0.81 -0.32 1.57 3.08 -0.89 -0.17 114.38 119.74 1wek h ARG 178 Ca 0.33 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 1wek h ARG 178 Cb -0.06 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1wek h ARG 178 CO -0.06 0.73 0.09 2.35 -1.07 0.00 0.00 179.97 182.00 1wek h TRP 179 N 0.72 0.45 -0.28 3.04 7.01 -0.66 -1.08 115.95 125.15 1wek h TRP 179 Ca 0.17 -0.02 -0.13 0.00 2.11 0.00 0.00 58.89 61.02 1wek h TRP 179 Cb 0.24 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.15 1wek h TRP 179 CO 0.01 0.39 -0.37 -0.07 -2.79 0.00 0.00 178.44 175.61 1wek h LEU 180 N 0.45 0.66 -1.44 0.65 3.38 -0.41 -1.03 115.31 117.57 1wek h LEU 180 Ca 0.11 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1wek h LEU 180 Cb 0.15 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1wek h LEU 180 CO -0.01 0.97 -0.25 0.00 0.09 0.00 0.00 178.44 179.24 1wek h ALA 181 N 1.07 1.54 -0.22 1.53 0.00 0.16 -1.13 119.26 122.21 1wek h ALA 181 Ca 0.05 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 1wek h ALA 181 Cb 0.88 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1wek h ALA 181 CO 0.08 0.34 -0.63 0.35 0.00 0.00 0.00 179.25 179.39 1wek h PHE 182 N 0.04 0.97 0.00 0.00 3.57 -0.77 -1.07 116.94 119.69 1wek h PHE 182 Ca 0.01 -0.38 -0.02 0.00 3.53 0.00 0.00 57.97 61.11 1wek h PHE 182 Cb 0.47 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 1wek h PHE 182 CO 0.00 1.18 -0.09 -0.07 -2.23 0.00 0.00 178.31 177.10 1wek h LEU 183 N 0.56 0.00 0.03 0.59 3.38 -0.12 -1.31 115.31 118.44 1wek h LEU 183 Ca -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1wek h LEU 183 Cb 1.23 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.99 1wek h LEU 183 CO 0.13 0.09 -0.54 -0.09 0.09 0.00 0.00 178.44 178.12 1wek h ARG 184 N 0.00 0.32 -0.31 1.13 2.43 -0.62 -0.36 114.38 116.97 1wek h ARG 184 Ca -0.00 -0.38 0.08 0.00 -0.81 0.00 0.00 59.98 58.87 1wek h ARG 184 Cb 0.22 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1wek h ARG 184 CO 0.01 1.09 0.22 -0.44 -1.51 0.00 0.00 179.97 179.34 1wek h ASP 185 N -0.28 0.03 0.88 -3.80 3.45 -0.48 0.20 116.42 116.43 1wek h ASP 185 Ca -0.08 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.38 1wek h ASP 185 Cb 1.30 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 40.06 1wek h ASP 185 CO 0.11 0.02 -0.13 0.00 -1.57 0.00 0.00 179.24 177.66 1wek n GLN 186 N -4.45 0.01 -1.91 3.56 1.13 -0.56 -4.94 117.38 110.22 1wek n GLN 186 Ca 0.04 0.01 -0.12 0.00 -1.94 0.00 0.00 57.00 54.99 1wek n GLN 186 Cb 0.37 -1.51 -0.02 0.00 0.11 0.00 0.00 30.24 29.19 1wek n GLN 186 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1wek n LYS 187 N -1.52 -0.92 0.00 -1.09 5.02 0.71 -4.87 118.16 115.49 1wek n LYS 187 Ca 0.07 0.71 0.13 0.00 -2.02 0.00 0.00 58.31 57.20 1wek n LYS 187 Cb 0.34 -4.83 0.41 0.00 -0.02 0.00 0.00 35.03 30.93 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 -0.56 3.07 -2.91 7.82 0.00 -0.19 -4.82 120.51 122.92 1wek n ALA 188 Ca -0.14 -0.26 -0.11 0.00 0.00 0.00 0.00 53.44 52.93 1wek n ALA 188 Cb 0.53 -1.25 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 1wek n ALA 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wek s VAL 189 N -2.94 0.34 0.97 0.00 0.11 -1.20 -5.01 120.40 112.67 1wek s VAL 189 Ca 0.14 -0.94 -0.11 0.00 -2.93 0.00 0.00 61.98 58.14 1wek s VAL 189 Cb 0.18 -0.43 0.18 0.00 -1.53 0.00 0.00 36.38 34.78 1wek s VAL 189 CO 0.62 -0.40 1.12 -0.83 -3.33 0.00 0.00 175.10 172.28 1wek s GLY 190 N -1.43 1.66 0.32 6.54 0.00 -1.26 -4.72 107.32 108.43 1wek s GLY 190 Ca -0.12 0.46 0.02 0.00 0.00 0.00 0.00 44.72 45.08 1wek s GLY 190 CO -0.00 0.94 1.94 -2.55 0.00 0.00 0.00 173.10 173.43 1wek h PRO 191 N -2.05 0.92 -0.27 2.90 0.11 -1.99 -2.82 132.00 128.80 1wek h PRO 191 Ca -0.47 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1wek h PRO 191 Cb 1.28 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1wek h PRO 191 CO 0.43 0.61 0.00 0.39 -0.21 0.00 0.00 178.00 179.22 1wek n GLU 192 N -4.47 2.17 0.32 1.05 -0.58 -1.26 -4.63 120.64 113.24 1wek n GLU 192 Ca 0.12 -2.01 0.19 0.00 -0.42 0.00 0.00 57.16 55.04 1wek n GLU 192 Cb 0.17 -1.42 1.07 0.00 -0.57 0.00 0.00 31.44 30.69 1wek n GLU 192 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1wek h ASP 193 N 3.81 0.00 0.66 1.62 3.32 -1.85 -0.94 116.42 123.03 1wek h ASP 193 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wek h ASP 193 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1wek h ASP 193 CO 0.00 0.01 0.00 0.18 -1.72 0.00 0.00 179.24 177.71 1wek n LEU 194 N -3.39 0.00 -0.26 1.55 4.77 -1.26 -2.76 117.00 115.65 1wek n LEU 194 Ca -0.03 0.38 0.14 0.00 -0.03 0.00 0.00 56.01 56.47 1wek n LEU 194 Cb 0.09 -0.38 0.63 0.00 -2.33 0.00 0.00 43.42 41.44 1wek n LEU 194 CO 0.23 -0.04 0.91 0.00 -1.33 0.00 0.00 177.39 177.16 1wek n GLN 195 N -1.38 1.20 0.28 3.23 3.00 -0.36 -3.65 117.38 119.71 1wek n GLN 195 Ca 0.10 -0.52 0.16 0.00 -0.01 0.00 0.00 57.00 56.73 1wek n GLN 195 Cb 0.25 -1.49 0.78 0.00 0.00 0.00 0.00 30.24 29.78 1wek n GLN 195 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1wek h LEU 196 N 1.27 0.00 -8.73 1.08 4.07 -1.67 -3.44 115.31 107.90 1wek h LEU 196 Ca 0.00 0.00 -0.36 0.00 0.08 0.00 0.00 57.88 57.60 1wek h LEU 196 Cb 0.35 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 41.94 1wek h LEU 196 CO 0.00 0.06 -0.72 0.72 -1.08 0.00 0.00 178.44 177.42 1wek s PHE 197 N -3.89 1.40 -0.07 1.13 -0.12 -1.24 -4.14 117.98 111.06 1wek s PHE 197 Ca -0.01 -0.71 0.04 0.00 -0.05 0.00 0.00 56.93 56.20 1wek s PHE 197 Cb 0.11 -0.69 -0.00 0.00 -0.63 0.00 0.00 43.02 41.80 1wek s PHE 197 CO 0.54 0.16 -0.20 1.03 -0.05 0.00 0.00 175.22 176.70 1wek s ARG 198 N -3.72 2.28 -0.21 1.99 0.52 0.17 -5.01 118.95 114.97 1wek s ARG 198 Ca 0.19 -0.71 -0.11 0.00 -0.52 0.00 0.00 55.73 54.58 1wek s ARG 198 Cb 0.02 -1.86 -0.05 0.00 0.52 0.00 0.00 34.95 33.58 1wek s ARG 198 CO 0.03 0.22 0.17 -1.17 0.02 0.00 0.00 175.30 174.56 1wek s LEU 199 N 0.19 4.18 0.07 2.53 2.96 -1.26 -0.57 118.68 126.78 1wek s LEU 199 Ca -0.10 0.23 -0.15 0.00 -0.22 0.00 0.00 54.13 53.89 1wek s LEU 199 Cb -0.15 -2.14 0.02 0.00 0.50 0.00 0.00 46.19 44.43 1wek s LEU 199 CO 0.05 0.12 0.34 0.28 -1.32 0.00 0.00 176.35 175.82 1wek s THR 200 N 0.65 0.08 -0.74 3.68 -1.32 -0.07 -4.94 115.64 112.98 1wek s THR 200 Ca 0.09 -0.66 0.18 0.00 -1.21 0.00 0.00 61.69 60.09 1wek s THR 200 Cb -0.12 -1.05 -0.21 0.00 -1.51 0.00 0.00 72.50 69.61 1wek s THR 200 CO 0.01 -0.37 0.72 0.47 -2.21 0.00 0.00 174.62 173.24 1wek n ASP 201 N 0.28 0.84 -4.43 8.08 8.00 -1.26 -0.51 116.55 127.55 1wek n ASP 201 Ca -0.17 -0.80 -0.38 0.00 0.71 0.00 0.00 54.79 54.14 1wek n ASP 201 Cb 0.61 1.11 -0.12 0.00 -0.02 0.00 0.00 41.12 42.70 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 -2.77 3.37 0.45 -1.24 2.02 -1.26 -4.76 118.70 114.51 1wek s GLU 202 Ca 0.05 -0.69 0.11 0.00 0.02 0.00 0.00 54.97 54.46 1wek s GLU 202 Cb 0.13 -3.49 1.01 0.00 0.10 0.00 0.00 34.13 31.88 1wek s GLU 202 CO 0.74 -0.37 2.08 -1.35 0.02 0.00 0.00 175.26 176.38 1wek h PRO 203 N 8.31 0.31 -0.46 0.39 0.11 -1.95 -1.84 132.00 136.87 1wek h PRO 203 Ca -0.33 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1wek h PRO 203 Cb 1.15 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1wek h PRO 203 CO 0.60 0.22 0.24 1.05 -0.21 0.00 0.00 178.00 179.91 1wek h GLU 204 N 0.32 0.62 -0.28 1.05 9.09 -1.98 -1.32 114.58 122.09 1wek h GLU 204 Ca 0.08 -0.06 -0.12 0.00 0.05 0.00 0.00 59.36 59.31 1wek h GLU 204 Cb 0.00 -0.13 -0.01 0.00 -1.65 0.00 0.00 28.75 26.96 1wek h GLU 204 CO -0.02 0.47 -0.34 1.49 0.05 0.00 0.00 179.01 180.66 1wek h GLU 205 N 0.63 0.61 0.03 1.06 4.81 -1.76 -0.70 114.58 119.26 1wek h GLU 205 Ca 0.16 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1wek h GLU 205 Cb 0.03 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1wek h GLU 205 CO -0.03 0.86 -0.02 0.28 -0.73 0.00 0.00 179.01 179.38 1wek h VAL 206 N 0.51 1.22 -0.91 0.32 2.07 -1.25 -2.00 116.25 116.20 1wek h VAL 206 Ca 0.05 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1wek h VAL 206 Cb 0.84 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.32 1wek h VAL 206 CO 0.07 0.20 0.52 0.58 0.02 0.00 0.00 177.57 178.97 1wek h VAL 207 N -0.40 1.26 -0.60 2.57 2.07 -1.21 -1.78 116.25 118.15 1wek h VAL 207 Ca -0.00 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1wek h VAL 207 Cb 0.37 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 1wek h VAL 207 CO 0.01 0.28 0.35 -0.61 0.02 0.00 0.00 177.57 177.62 1wek h GLN 208 N 1.26 0.83 -0.75 1.57 4.15 -1.09 0.09 115.11 121.17 1wek h GLN 208 Ca 0.32 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 59.60 1wek h GLN 208 Cb -0.01 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.48 1wek h GLN 208 CO -0.06 0.61 0.23 0.00 -1.93 0.00 0.00 178.83 177.69 1wek h ALA 209 N 1.17 0.99 -0.14 3.38 0.00 -1.00 -0.87 119.26 122.79 1wek h ALA 209 Ca 0.21 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1wek h ALA 209 Cb 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1wek h ALA 209 CO -0.04 0.67 -0.49 -0.07 0.00 0.00 0.00 179.25 179.32 1wek h LEU 210 N 1.12 0.40 -0.31 0.00 3.38 -0.97 -3.03 115.31 115.91 1wek h LEU 210 Ca 0.24 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1wek h LEU 210 Cb 0.31 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1wek h LEU 210 CO -0.01 0.83 -0.21 0.11 0.09 0.00 0.00 178.44 179.25 1wek h LYS 211 N 0.30 0.69 0.00 1.13 1.57 -0.68 -3.52 116.57 116.06 1wek h LYS 211 Ca 0.01 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1wek h LYS 211 Cb 0.97 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1wek h LYS 211 CO 0.08 0.94 0.00 0.00 -0.57 0.00 0.00 179.45 179.90