#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wek h ILE 7 N 0.00 0.37 -0.19 1.47 1.08 -2.05 0.10 117.51 118.29 1wek h ILE 7 Ca 0.00 -0.08 -0.10 0.00 -0.39 0.00 0.00 64.86 64.29 1wek h ILE 7 Cb 0.00 0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 33.88 1wek h ILE 7 CO 0.00 0.04 -0.29 0.44 -0.69 0.00 0.00 178.15 177.65 1wek h ASP 8 N 0.22 0.58 0.08 1.72 3.32 -2.06 -3.17 116.42 117.11 1wek h ASP 8 Ca 0.66 -0.52 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1wek h ASP 8 Cb 2.01 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 41.39 1wek h ASP 8 CO -0.27 0.99 -0.05 -0.61 -1.72 0.00 0.00 179.24 177.58 1wek h GLN 9 N 0.19 -0.11 0.00 3.56 4.15 -1.41 -2.15 115.11 119.33 1wek h GLN 9 Ca 0.02 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1wek h GLN 9 Cb 0.87 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.58 1wek h GLN 9 CO 0.07 -0.07 0.16 1.47 -1.93 0.00 0.00 178.83 178.52 1wek n LEU 10 N -2.43 0.41 0.01 -2.39 -0.00 -1.14 -1.23 117.00 110.23 1wek n LEU 10 Ca -0.01 0.63 -0.07 0.00 -0.00 0.00 0.00 56.01 56.55 1wek n LEU 10 Cb 0.05 -0.63 -0.06 0.00 -0.00 0.00 0.00 43.42 42.78 1wek n LEU 10 CO 0.03 -0.77 0.24 -0.74 -0.00 0.00 0.00 177.39 176.16 1wek h HIS 11 N 0.00 -0.13 0.00 1.47 2.76 -1.47 -3.10 115.15 114.68 1wek h HIS 11 Ca 0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1wek h HIS 11 Cb 0.32 0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.33 1wek h HIS 11 CO 0.00 0.24 0.00 1.58 -1.30 0.00 0.00 177.93 178.45 1wek n HIS 12 N -4.84 0.00 0.21 5.26 -0.00 -0.36 0.04 115.22 115.53 1wek n HIS 12 Ca -0.05 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.78 1wek n HIS 12 Cb 0.21 -0.45 0.11 0.00 -0.00 0.00 0.00 29.99 29.86 1wek n HIS 12 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 1wek h GLU 13 N 0.00 0.00 -5.56 1.57 4.81 -1.23 -3.48 114.58 110.70 1wek h GLU 13 Ca 0.00 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 1wek h GLU 13 Cb 0.07 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.34 1wek h GLU 13 CO 0.00 0.00 -0.28 -0.25 -0.73 0.00 0.00 179.01 177.75 1wek n ASP 14 N -2.82 -1.48 0.28 1.04 9.92 0.11 -4.81 116.55 118.79 1wek n ASP 14 Ca 0.02 -0.02 0.15 0.00 -0.53 0.00 0.00 54.79 54.41 1wek n ASP 14 Cb 0.53 -1.36 0.88 0.00 -0.64 0.00 0.00 41.12 40.53 1wek n ASP 14 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1wek h SER 15 N -0.28 0.00 0.00 -2.24 0.02 -1.84 -2.29 113.55 106.92 1wek h SER 15 Ca -0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1wek h SER 15 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1wek h SER 15 CO 0.28 0.00 0.21 4.11 -1.14 0.00 0.00 176.83 180.29 1wek h TRP 16 N 0.00 0.00 0.00 3.45 5.08 -1.90 0.31 115.95 122.90 1wek h TRP 16 Ca 0.01 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.98 1wek h TRP 16 Cb 0.06 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.22 1wek h TRP 16 CO 0.00 0.00 0.00 -0.09 -1.28 0.00 0.00 178.44 177.07 1wek h ARG 17 N 0.00 0.00 0.00 0.12 9.65 -1.80 -2.80 114.38 119.56 1wek h ARG 17 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1wek h ARG 17 Cb 0.42 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 1wek h ARG 17 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 179.97 182.70 1wek h LEU 18 N 0.00 0.00 -0.04 3.80 3.38 -0.60 -3.11 115.31 118.73 1wek h LEU 18 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wek h LEU 18 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1wek h LEU 18 CO 0.00 0.00 0.03 -0.26 0.09 0.00 0.00 178.44 178.30 1wek h PHE 19 N 0.00 0.06 -0.37 1.13 -1.00 -1.68 0.15 116.94 115.22 1wek h PHE 19 Ca 0.00 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.61 1wek h PHE 19 Cb 0.73 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.27 1wek h PHE 19 CO 0.00 0.05 -0.42 -0.09 -1.61 0.00 0.00 178.31 176.25 1wek h ARG 20 N 0.04 0.94 -0.84 1.51 2.43 -1.78 0.14 114.38 116.81 1wek h ARG 20 Ca 0.02 -0.51 0.03 0.00 -0.81 0.00 0.00 59.98 58.71 1wek h ARG 20 Cb 0.01 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 1wek h ARG 20 CO -0.00 1.17 0.54 0.82 -1.51 0.00 0.00 179.97 180.98 1wek h ILE 21 N 0.75 1.13 -0.37 1.20 2.04 -1.46 0.20 117.51 121.01 1wek h ILE 21 Ca 0.05 -0.36 -0.13 0.00 1.00 0.00 0.00 64.86 65.42 1wek h ILE 21 Cb 1.02 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1wek h ILE 21 CO 0.10 0.19 -0.28 0.25 0.00 0.00 0.00 178.15 178.42 1wek h LEU 22 N 1.05 0.88 -1.05 1.44 5.85 -0.45 -2.06 115.31 120.98 1wek h LEU 22 Ca 0.34 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1wek h LEU 22 Cb 0.01 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 1wek h LEU 22 CO -0.11 1.13 0.45 0.00 -0.34 0.00 0.00 178.44 179.57 1wek h ALA 23 N 0.77 1.27 -0.53 1.25 0.00 -0.02 -1.90 119.26 120.10 1wek h ALA 23 Ca 0.07 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1wek h ALA 23 Cb 0.85 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1wek h ALA 23 CO 0.07 0.59 -0.10 0.93 0.00 0.00 0.00 179.25 180.74 1wek h GLU 24 N 1.12 1.00 0.28 0.00 5.08 -0.32 -2.02 114.58 119.72 1wek h GLU 24 Ca 0.28 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1wek h GLU 24 Cb 0.02 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1wek h GLU 24 CO -0.05 1.04 -0.14 0.74 -1.00 0.00 0.00 179.01 179.61 1wek h PHE 25 N 0.89 -0.35 -0.17 4.33 0.05 -1.04 -1.76 116.94 118.89 1wek h PHE 25 Ca 0.14 -0.01 0.05 0.00 3.82 0.00 0.00 57.97 61.97 1wek h PHE 25 Cb 0.66 0.12 -0.07 0.00 2.00 0.00 0.00 35.95 38.66 1wek h PHE 25 CO 0.04 -0.08 -0.29 0.28 -0.18 0.00 0.00 178.31 178.07 1wek h VAL 26 N -0.59 0.32 -0.66 -0.55 2.07 -1.36 0.39 116.25 115.87 1wek h VAL 26 Ca -0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.50 1wek h VAL 26 Cb 0.43 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1wek h VAL 26 CO 0.06 0.00 0.42 -0.08 0.02 0.00 0.00 177.57 177.99 1wek h GLU 27 N -0.35 0.81 -0.21 1.57 4.81 -1.39 0.15 114.58 119.97 1wek h GLU 27 Ca 0.11 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1wek h GLU 27 Cb 0.52 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1wek h GLU 27 CO -0.36 0.53 0.10 0.78 -0.73 0.00 0.00 179.01 179.34 1wek h GLY 28 N 0.83 0.28 0.90 1.92 0.00 -0.42 0.16 103.07 106.74 1wek h GLY 28 Ca 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1wek h GLY 28 CO -0.09 0.06 0.08 0.74 0.00 0.00 0.00 176.54 177.34 1wek h PHE 29 N 0.23 0.32 -0.02 5.60 0.04 0.10 -0.74 116.94 122.45 1wek h PHE 29 Ca 0.09 -0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.86 1wek h PHE 29 Cb 0.02 -0.10 -0.06 0.00 2.20 0.00 0.00 35.95 38.02 1wek h PHE 29 CO -0.09 0.36 -0.49 0.93 -0.60 0.00 0.00 178.31 178.41 1wek h GLU 30 N 0.19 -0.60 0.18 1.51 5.08 -0.33 -0.81 114.58 119.79 1wek h GLU 30 Ca 0.07 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1wek h GLU 30 Cb 0.17 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1wek h GLU 30 CO -0.01 -0.40 -0.09 1.15 -1.00 0.00 0.00 179.01 178.67 1wek h THR 31 N -0.62 0.86 -0.33 1.13 2.02 -0.59 -3.15 112.91 112.22 1wek h THR 31 Ca 0.03 -0.17 -0.16 0.00 0.77 0.00 0.00 66.41 66.88 1wek h THR 31 Cb 0.69 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1wek h THR 31 CO -0.36 0.04 -0.43 -0.07 0.37 0.00 0.00 175.52 175.07 1wek h LEU 32 N -0.33 0.91 -1.96 2.58 3.38 -1.11 -3.20 115.31 115.59 1wek h LEU 32 Ca -0.03 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1wek h LEU 32 Cb 0.25 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1wek h LEU 32 CO 0.04 1.21 -0.09 0.77 0.09 0.00 0.00 178.44 180.47 1wek h SER 33 N 0.68 0.00 0.06 -0.43 4.64 -1.22 -2.56 113.55 114.73 1wek h SER 33 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1wek h SER 33 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1wek h SER 33 CO 0.10 0.09 -0.08 -1.84 -0.87 0.00 0.00 176.83 174.23 1wek n GLU 34 N -3.47 1.44 -2.26 4.77 0.28 -1.19 -4.89 120.64 115.32 1wek n GLU 34 Ca -0.02 -0.87 -0.37 0.00 -0.16 0.00 0.00 57.16 55.75 1wek n GLU 34 Cb 0.23 -1.48 -0.01 0.00 1.43 0.00 0.00 31.44 31.61 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 -2.15 3.95 0.00 -1.84 1.02 -0.97 -4.96 118.68 113.73 1wek s LEU 35 Ca 0.33 2.27 0.22 0.00 0.02 0.00 0.00 54.13 56.97 1wek s LEU 35 Cb 0.20 -4.33 -0.12 0.00 0.02 0.00 0.00 46.19 41.96 1wek s LEU 35 CO 0.39 -0.99 0.93 0.00 0.02 0.00 0.00 176.35 176.70 1wek n GLN 36 N -0.69 0.10 -4.13 1.70 1.13 -1.26 -4.96 117.38 109.27 1wek n GLN 36 Ca 0.08 -0.02 -0.24 0.00 -1.94 0.00 0.00 57.00 54.88 1wek n GLN 36 Cb 0.49 -1.51 -0.05 0.00 0.11 0.00 0.00 30.24 29.27 1wek n GLN 36 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1wek s VAL 37 N -3.08 4.33 0.32 5.09 -7.23 -1.26 -5.08 120.40 113.50 1wek s VAL 37 Ca 0.06 -1.34 -0.29 0.00 -1.81 0.00 0.00 61.98 58.60 1wek s VAL 37 Cb 0.16 -3.29 -0.10 0.00 0.56 0.00 0.00 36.38 33.71 1wek s VAL 37 CO 0.85 -0.26 1.27 -2.84 -0.31 0.00 0.00 175.10 173.81 1wek s PRO 38 N -3.53 4.40 -0.17 4.82 0.02 -1.26 -4.72 135.00 134.56 1wek s PRO 38 Ca 0.32 2.15 -0.08 0.00 0.02 0.00 0.00 61.00 63.41 1wek s PRO 38 Cb -0.09 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.30 1wek s PRO 38 CO 0.24 -0.12 0.10 -0.51 -0.33 0.00 0.00 177.00 176.37 1wek s LEU 39 N -1.74 4.05 -0.24 -5.54 1.43 -1.26 -0.82 118.68 114.55 1wek s LEU 39 Ca 0.48 0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 53.77 1wek s LEU 39 Cb -0.39 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 43.83 1wek s LEU 39 CO 0.51 0.23 -0.06 -0.69 0.23 0.00 0.00 176.35 176.58 1wek s VAL 40 N 0.02 2.98 0.02 -1.59 1.01 -0.45 -0.85 120.40 121.55 1wek s VAL 40 Ca 0.08 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 1wek s VAL 40 Cb -0.12 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1wek s VAL 40 CO 0.00 0.26 0.99 -0.44 0.00 0.00 0.00 175.10 175.91 1wek s SER 41 N 1.36 7.37 0.01 3.32 0.01 -0.71 -1.87 113.70 123.19 1wek s SER 41 Ca 0.02 1.70 0.07 0.00 1.31 0.00 0.00 55.95 59.05 1wek s SER 41 Cb -0.16 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.48 1wek s SER 41 CO -0.04 -0.24 -0.20 -0.69 0.41 0.00 0.00 173.24 172.47 1wek s VAL 42 N 0.85 1.62 0.09 3.43 1.01 -0.14 -0.75 120.40 126.50 1wek s VAL 42 Ca 0.52 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1wek s VAL 42 Cb -0.22 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1wek s VAL 42 CO 0.28 0.36 -0.09 -0.36 0.00 0.00 0.00 175.10 175.30 1wek s PHE 43 N -0.59 0.94 -0.08 5.22 0.08 -0.14 -4.39 117.98 119.03 1wek s PHE 43 Ca 0.08 -0.68 -0.31 0.00 0.12 0.00 0.00 56.93 56.13 1wek s PHE 43 Cb -0.08 -0.53 0.12 0.00 -0.57 0.00 0.00 43.02 41.96 1wek s PHE 43 CO 0.00 -0.05 1.38 0.20 -0.10 0.00 0.00 175.22 176.65 1wek s GLY 44 N -2.40 -0.30 0.26 4.36 0.00 -1.26 -0.45 107.32 107.52 1wek s GLY 44 Ca 0.04 0.42 -0.30 0.00 0.00 0.00 0.00 44.72 44.88 1wek s GLY 44 CO -0.01 4.33 1.52 -0.45 0.00 0.00 0.00 173.10 178.49 1wek s SER 45 N -3.60 6.53 0.05 1.64 0.15 -0.48 -4.75 113.70 113.24 1wek s SER 45 Ca 0.26 2.79 0.27 0.00 0.70 0.00 0.00 55.95 59.96 1wek s SER 45 Cb 0.03 -2.63 1.09 0.00 -1.71 0.00 0.00 66.02 62.80 1wek s SER 45 CO -0.04 -0.80 1.85 0.00 1.20 0.00 0.00 173.24 175.45 1wek n ALA 46 N 2.40 2.24 0.65 5.45 0.00 -1.26 -0.90 120.51 129.10 1wek n ALA 46 Ca 0.08 -0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.55 1wek n ALA 46 Cb 0.39 -1.45 -0.13 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.69 0.30 -2.88 0.00 1.74 -1.26 -2.39 116.66 110.48 1wek n ARG 47 Ca 0.06 -0.06 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 1wek n ARG 47 Cb 0.34 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.25 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 -3.14 2.72 0.00 -1.55 2.99 -1.25 -4.91 117.98 112.84 1wek s PHE 48 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 56.93 56.41 1wek s PHE 48 Cb 0.15 -4.23 0.00 0.00 0.00 0.00 0.00 43.02 38.94 1wek s PHE 48 CO 0.87 -1.58 0.00 0.41 -0.00 0.00 0.00 175.22 174.91 1wek n GLY 49 N 5.30 0.22 3.61 4.36 0.00 -1.26 -3.24 105.19 114.18 1wek n GLY 49 Ca -0.04 -1.83 -0.51 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.55 1.36 0.00 1.61 1.02 -1.26 -1.89 120.64 120.93 1wek n GLU 50 Ca 0.00 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 1wek n GLU 50 Cb 0.00 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.26 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 2.70 3.09 3.69 0.62 0.00 -1.26 -5.04 105.19 108.98 1wek n GLY 51 Ca 0.18 -0.91 -0.44 0.00 0.00 0.00 0.00 46.02 44.85 1wek n GLY 51 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1wek n HIS 52 N 0.00 2.39 -0.34 1.61 -0.00 -0.79 -4.77 115.22 113.32 1wek n HIS 52 Ca 0.00 0.34 0.19 0.00 -0.00 0.00 0.00 57.72 58.25 1wek n HIS 52 Cb 0.00 -2.52 0.42 0.00 -0.00 0.00 0.00 29.99 27.89 1wek n HIS 52 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1wek h PRO 53 N 4.73 0.51 -0.33 1.57 0.11 -1.96 0.17 132.00 136.80 1wek h PRO 53 Ca -0.45 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1wek h PRO 53 Cb 1.26 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1wek h PRO 53 CO 0.79 0.34 -0.26 0.00 -0.21 0.00 0.00 178.00 178.67 1wek h ALA 54 N 1.71 0.93 0.19 -0.75 0.00 -1.93 -0.57 119.26 118.84 1wek h ALA 54 Ca 0.64 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1wek h ALA 54 Cb 1.31 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1wek h ALA 54 CO -0.44 0.61 -0.09 -0.92 0.00 0.00 0.00 179.25 178.41 1wek h TYR 55 N 0.57 -0.23 -0.87 0.00 3.20 -0.93 -0.08 116.97 118.63 1wek h TYR 55 Ca 0.08 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.01 1wek h TYR 55 Cb 0.74 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 39.02 1wek h TYR 55 CO 0.03 0.10 0.54 0.93 -1.64 0.00 0.00 178.16 178.12 1wek h GLU 56 N -0.59 0.94 -0.28 1.82 4.39 -1.17 0.22 114.58 119.91 1wek h GLU 56 Ca -0.03 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.53 1wek h GLU 56 Cb 0.44 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1wek h GLU 56 CO 0.04 0.62 -0.21 0.00 -1.16 0.00 0.00 179.01 178.31 1wek h ALA 57 N 1.42 1.13 -0.07 3.43 0.00 -1.04 -1.89 119.26 122.23 1wek h ALA 57 Ca 0.38 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1wek h ALA 57 Cb 0.20 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1wek h ALA 57 CO -0.18 0.55 0.02 0.78 0.00 0.00 0.00 179.25 180.41 1wek h GLY 58 N 0.99 0.12 0.95 0.00 0.00 0.60 -0.23 103.07 105.50 1wek h GLY 58 Ca 0.07 -0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1wek h GLY 58 CO 0.04 0.07 0.44 -1.82 0.00 0.00 0.00 176.54 175.27 1wek h TYR 59 N -0.09 0.82 -0.16 5.60 5.03 -0.90 0.28 116.97 127.56 1wek h TYR 59 Ca 0.02 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.29 1wek h TYR 59 Cb 0.23 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.23 1wek h TYR 59 CO 0.00 0.50 -0.17 0.00 -1.32 0.00 0.00 178.16 177.17 1wek h ARG 60 N 0.88 0.26 -0.08 1.82 3.08 -1.18 -1.12 114.38 118.05 1wek h ARG 60 Ca 0.26 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 1wek h ARG 60 Cb -0.06 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 1wek h ARG 60 CO -0.07 0.43 -0.07 1.25 -1.07 0.00 0.00 179.97 180.43 1wek h LEU 61 N 0.24 0.19 0.46 3.04 6.46 -0.12 -1.91 115.31 123.67 1wek h LEU 61 Ca 0.05 -0.48 -0.01 0.00 -0.12 0.00 0.00 57.88 57.32 1wek h LEU 61 Cb 0.44 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 1wek h LEU 61 CO 0.03 0.63 -0.39 1.23 -0.62 0.00 0.00 178.44 179.31 1wek h GLY 62 N -0.24 -0.96 -0.32 3.75 0.00 -0.72 -1.19 103.07 103.39 1wek h GLY 62 Ca 0.01 0.45 0.07 0.00 0.00 0.00 0.00 47.33 47.86 1wek h GLY 62 CO 0.02 -0.33 -0.45 -0.09 0.00 0.00 0.00 176.54 175.69 1wek h ARG 63 N -0.85 -0.33 -0.75 4.80 2.43 -1.07 -1.45 114.38 117.16 1wek h ARG 63 Ca -0.04 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1wek h ARG 63 Cb 0.74 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.31 1wek h ARG 63 CO -0.03 -0.22 0.49 0.00 -1.51 0.00 0.00 179.97 178.71 1wek h ALA 64 N 0.35 1.69 -0.49 2.80 0.00 -1.22 -2.00 119.26 120.39 1wek h ALA 64 Ca 0.13 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1wek h ALA 64 Cb 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1wek h ALA 64 CO -0.58 0.19 -0.18 -0.07 0.00 0.00 0.00 179.25 178.61 1wek h LEU 65 N 0.78 1.01 -0.46 0.00 4.07 -0.19 -2.65 115.31 117.86 1wek h LEU 65 Ca 0.33 -0.38 -0.16 0.00 0.08 0.00 0.00 57.88 57.74 1wek h LEU 65 Cb 0.27 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1wek h LEU 65 CO -0.11 1.16 -0.47 0.00 -1.08 0.00 0.00 178.44 177.94 1wek h ALA 66 N 0.88 0.64 0.00 1.53 0.00 -0.97 0.21 119.26 121.54 1wek h ALA 66 Ca 0.12 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1wek h ALA 66 Cb 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1wek h ALA 66 CO 0.06 0.68 0.00 0.39 0.00 0.00 0.00 179.25 180.38 1wek n GLU 67 N -4.01 0.69 0.00 0.00 1.02 -0.79 -2.13 120.64 115.43 1wek n GLU 67 Ca -0.03 0.01 0.06 0.00 -0.02 0.00 0.00 57.16 57.18 1wek n GLU 67 Cb 0.58 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.51 1wek n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wek n ALA 68 N -1.07 2.78 0.00 0.62 0.00 -1.01 -4.99 120.51 116.85 1wek n ALA 68 Ca 0.17 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1wek n ALA 68 Cb 0.12 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 0.88 0.40 3.89 0.00 0.00 -0.90 -5.05 105.19 104.40 1wek n GLY 69 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 3.49 0.17 1.61 0.40 0.03 -4.23 117.98 117.44 1wek s PHE 70 Ca 0.00 0.82 0.06 0.00 -0.60 0.00 0.00 56.93 57.21 1wek s PHE 70 Cb 0.00 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.23 1wek s PHE 70 CO 0.00 -0.01 0.11 0.20 0.70 0.00 0.00 175.22 176.22 1wek s GLY 71 N -3.32 1.71 0.02 4.36 0.00 -0.00 -3.71 107.32 106.38 1wek s GLY 71 Ca 0.47 -1.26 0.05 0.00 0.00 0.00 0.00 44.72 43.99 1wek s GLY 71 CO 0.33 -1.27 -0.14 -1.34 0.00 0.00 0.00 173.10 170.68 1wek s VAL 72 N -1.77 3.11 -0.16 1.40 -7.23 -0.31 -1.34 120.40 114.11 1wek s VAL 72 Ca 0.30 -1.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 1wek s VAL 72 Cb -0.10 -2.32 0.03 0.00 0.56 0.00 0.00 36.38 34.55 1wek s VAL 72 CO 0.22 0.38 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.59 1wek s VAL 73 N -0.94 1.48 0.46 1.32 1.01 -0.78 -0.20 120.40 122.75 1wek s VAL 73 Ca 0.15 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1wek s VAL 73 Cb -0.11 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 1wek s VAL 73 CO 0.06 0.34 0.10 0.42 0.00 0.00 0.00 175.10 176.01 1wek s THR 74 N 1.50 0.68 -2.00 3.92 -4.23 -0.58 -0.97 115.64 113.96 1wek s THR 74 Ca 0.03 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.82 1wek s THR 74 Cb -0.14 -2.21 0.80 0.00 1.34 0.00 0.00 72.50 72.28 1wek s THR 74 CO -0.09 0.00 2.03 0.61 -0.54 0.00 0.00 174.62 176.62 1wek n GLY 75 N -1.06 -0.91 2.50 3.99 0.00 -1.26 -0.57 105.19 107.88 1wek n GLY 75 Ca -0.11 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 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 0.80 0.90 0.00 -0.02 0.00 -1.26 -3.32 105.19 102.29 1wek n GLY 76 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.65 1.97 0.00 -0.02 0.00 -1.26 -2.27 105.19 102.96 1wek n GLY 77 Ca -0.22 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.67 0.99 0.00 1.61 -0.02 -1.26 -1.85 135.00 133.80 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 3.45 2.88 1.91 -1.23 0.00 -1.01 -2.38 105.19 108.81 1wek n GLY 79 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.61 1wek n GLY 79 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wek n VAL 80 N 0.00 1.27 0.00 1.61 0.24 -0.07 -1.50 118.33 119.87 1wek n VAL 80 Ca 0.00 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1wek n VAL 80 Cb 0.00 -1.45 0.00 0.00 -1.47 0.00 0.00 33.84 30.92 1wek n VAL 80 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1wek n GLU 82 N 2.09 0.00 -0.34 7.34 2.13 -0.77 -0.80 120.64 130.28 1wek n GLU 82 Ca 0.08 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.87 1wek n GLU 82 Cb 0.35 0.00 0.09 0.00 0.27 0.00 0.00 31.44 32.15 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 1.16 -0.34 4.31 0.00 -1.56 0.28 119.26 123.12 1wek h ALA 83 Ca 0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 1wek h ALA 83 Cb 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 1wek h ALA 83 CO 0.00 0.59 -0.44 0.28 0.00 0.00 0.00 179.25 179.68 1wek h VAL 84 N 1.25 1.28 -0.44 0.00 2.07 -1.10 0.94 116.25 120.25 1wek h VAL 84 Ca 0.33 -1.62 -0.08 0.00 0.82 0.00 0.00 66.70 66.15 1wek h VAL 84 Cb -0.09 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1wek h VAL 84 CO -0.07 0.54 -0.03 0.78 0.02 0.00 0.00 177.57 178.81 1wek h ASN 85 N 0.69 0.80 -0.22 0.57 -0.26 -1.72 -2.57 115.58 112.86 1wek h ASN 85 Ca 0.04 -0.32 -0.01 0.00 -0.56 0.00 0.00 56.30 55.45 1wek h ASN 85 Cb 1.05 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 38.08 1wek h ASN 85 CO 0.10 0.93 0.11 -0.09 -1.06 0.00 0.00 177.43 177.42 1wek h ARG 86 N 0.64 0.32 -0.89 0.81 2.43 -0.34 0.25 114.38 117.60 1wek h ARG 86 Ca 0.12 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.32 1wek h ARG 86 Cb 0.54 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.96 1wek h ARG 86 CO 0.03 0.33 0.54 0.78 -1.51 0.00 0.00 179.97 180.14 1wek h GLY 87 N 0.23 1.36 1.53 2.80 0.00 -0.71 -1.08 103.07 107.20 1wek h GLY 87 Ca 0.08 -0.38 -0.28 0.00 0.00 0.00 0.00 47.33 46.74 1wek h GLY 87 CO -0.01 0.23 -1.25 0.00 0.00 0.00 0.00 176.54 175.50 1wek h ALA 88 N 1.44 0.07 0.77 3.60 0.00 -1.30 -3.01 119.26 120.83 1wek h ALA 88 Ca 0.40 -0.85 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1wek h ALA 88 Cb 0.26 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1wek h ALA 88 CO -0.20 0.88 -0.41 -0.92 0.00 0.00 0.00 179.25 178.59 1wek h TYR 89 N 0.12 -1.08 0.00 0.00 3.20 -0.01 0.10 116.97 119.30 1wek h TYR 89 Ca -0.15 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.69 1wek h TYR 89 Cb 1.96 0.37 -0.00 0.00 1.54 0.00 0.00 36.73 40.60 1wek h TYR 89 CO 0.08 -0.64 -0.03 0.93 -1.64 0.00 0.00 178.16 176.85 1wek h GLU 90 N -1.09 0.00 -0.00 1.82 5.08 -1.35 0.45 114.58 119.49 1wek h GLU 90 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1wek h GLU 90 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1wek h GLU 90 CO 0.14 0.03 -0.11 0.00 -1.00 0.00 0.00 179.01 178.07 1wek n ALA 91 N -2.21 2.77 -0.87 3.43 0.00 -0.99 -4.92 120.51 117.72 1wek n ALA 91 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1wek n ALA 91 Cb 0.14 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 1.27 0.57 3.95 0.00 0.00 0.16 -4.85 105.19 106.29 1wek n GLY 92 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 1.76 0.05 -0.02 0.00 0.27 -4.99 107.32 102.38 1wek s GLY 93 Ca 0.00 -1.35 -0.30 0.00 0.00 0.00 0.00 44.72 43.06 1wek s GLY 93 CO 0.00 -0.72 1.18 0.14 0.00 0.00 0.00 173.10 173.70 1wek s VAL 94 N -3.51 4.13 -0.23 1.40 1.01 -1.26 -4.47 120.40 117.47 1wek s VAL 94 Ca 0.69 1.53 -0.02 0.00 0.00 0.00 0.00 61.98 64.18 1wek s VAL 94 Cb -0.06 -3.98 0.07 0.00 0.00 0.00 0.00 36.38 32.41 1wek s VAL 94 CO 0.48 0.11 0.03 -0.55 0.00 0.00 0.00 175.10 175.18 1wek s SER 95 N 1.09 3.34 -0.05 3.32 0.15 -1.26 -1.16 113.70 119.13 1wek s SER 95 Ca 0.58 -1.07 -0.04 0.00 0.70 0.00 0.00 55.95 56.12 1wek s SER 95 Cb -0.28 -0.76 -0.04 0.00 -1.71 0.00 0.00 66.02 63.23 1wek s SER 95 CO 0.29 -0.32 0.15 -0.69 1.20 0.00 0.00 173.24 173.86 1wek s VAL 96 N 1.72 5.31 -0.10 4.45 1.01 0.72 0.15 120.40 133.67 1wek s VAL 96 Ca 0.01 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1wek s VAL 96 Cb -0.17 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.81 1wek s VAL 96 CO -0.12 0.44 -0.13 -0.83 0.00 0.00 0.00 175.10 174.46 1wek s GLY 97 N -1.56 0.95 -0.94 4.51 0.00 -0.56 -1.53 107.32 108.19 1wek s GLY 97 Ca 0.22 -0.62 -0.03 0.00 0.00 0.00 0.00 44.72 44.29 1wek s GLY 97 CO 0.12 0.27 0.87 1.04 0.00 0.00 0.00 173.10 175.41 1wek n LEU 98 N 4.19 4.51 -4.71 0.66 4.77 0.26 -0.78 117.00 125.90 1wek n LEU 98 Ca -0.19 -5.13 -0.42 0.00 -0.03 0.00 0.00 56.01 50.24 1wek n LEU 98 Cb 0.51 -1.16 -0.03 0.00 -2.33 0.00 0.00 43.42 40.41 1wek n LEU 98 CO 0.23 1.54 1.05 0.20 -1.33 0.00 0.00 177.39 179.09 1wek s ASN 99 N -0.03 6.87 -0.12 -1.43 -0.87 0.84 -4.49 114.94 115.71 1wek s ASN 99 Ca 0.29 2.22 -0.07 0.00 -1.57 0.00 0.00 52.86 53.73 1wek s ASN 99 Cb -0.06 -2.58 -0.04 0.00 -0.02 0.00 0.00 41.25 38.55 1wek s ASN 99 CO -0.11 -0.65 0.12 -0.51 -2.57 0.00 0.00 177.10 173.38 1wek s ILE 100 N 1.50 5.30 -0.27 0.60 1.10 -1.26 0.12 121.20 128.30 1wek s ILE 100 Ca 0.64 0.13 -0.20 0.00 -0.51 0.00 0.00 60.65 60.71 1wek s ILE 100 Cb -0.34 -3.31 -0.02 0.00 0.15 0.00 0.00 42.46 38.94 1wek s ILE 100 CO 0.29 0.60 0.63 -1.61 -2.11 0.00 0.00 174.94 172.73 1wek s GLU 101 N -0.83 4.05 0.26 3.50 2.02 0.25 -4.92 118.70 123.03 1wek s GLU 101 Ca 0.14 0.47 0.11 0.00 0.02 0.00 0.00 54.97 55.71 1wek s GLU 101 Cb -0.12 -3.67 -0.05 0.00 0.10 0.00 0.00 34.13 30.39 1wek s GLU 101 CO 0.03 -0.46 -0.12 -0.51 0.02 0.00 0.00 175.26 174.22 1wek s LEU 102 N 2.53 2.83 0.37 1.80 1.43 -1.26 -4.87 118.68 121.52 1wek s LEU 102 Ca 0.26 -0.85 0.07 0.00 -1.03 0.00 0.00 54.13 52.59 1wek s LEU 102 Cb -0.15 -1.37 0.73 0.00 0.03 0.00 0.00 46.19 45.43 1wek s LEU 102 CO 0.09 0.03 1.92 -0.65 0.23 0.00 0.00 176.35 177.98 1wek h PRO 103 N 2.23 0.38 -2.48 1.29 0.11 -2.02 -3.07 132.00 128.44 1wek h PRO 103 Ca -0.42 -0.07 -0.67 0.00 0.11 0.00 0.00 66.00 64.94 1wek h PRO 103 Cb 1.25 -0.06 -0.37 0.00 0.11 0.00 0.00 31.00 31.93 1wek h PRO 103 CO 0.59 0.43 -0.11 0.72 -0.21 0.00 0.00 178.00 179.42 1wek n HIS 104 N -4.31 3.20 -0.07 0.65 8.25 -1.26 -5.06 115.22 116.62 1wek n HIS 104 Ca 0.00 -3.63 -0.03 0.00 -0.26 0.00 0.00 57.72 53.80 1wek n HIS 104 Cb 0.23 -0.81 0.03 0.00 1.12 0.00 0.00 29.99 30.56 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 1.05 -0.84 -3.65 -0.41 -0.58 -1.16 -5.09 120.64 109.97 1wek n GLU 105 Ca 0.28 -0.16 0.02 0.00 -0.42 0.00 0.00 57.16 56.89 1wek n GLU 105 Cb 0.38 -0.26 -0.06 0.00 -0.57 0.00 0.00 31.44 30.93 1wek n GLU 105 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1wek s GLN 106 N -2.24 0.07 0.64 3.49 2.00 -1.26 -5.05 119.66 117.31 1wek s GLN 106 Ca 0.07 0.12 -0.18 0.00 -2.00 0.00 0.00 55.36 53.37 1wek s GLN 106 Cb -0.01 0.01 -0.03 0.00 0.80 0.00 0.00 33.01 33.78 1wek s GLN 106 CO 0.06 -0.01 0.98 1.63 -0.50 0.00 0.00 175.29 177.45 1wek n LYS 107 N 3.08 0.81 -2.20 1.67 5.02 -1.26 -4.94 118.16 120.34 1wek n LYS 107 Ca -0.17 0.32 -0.39 0.00 -2.02 0.00 0.00 58.31 56.06 1wek n LYS 107 Cb 0.56 -2.20 -0.01 0.00 -0.02 0.00 0.00 35.03 33.36 1wek n LYS 107 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1wek s PRO 108 N -2.94 3.97 0.73 1.97 0.02 -1.26 -4.69 135.00 132.80 1wek s PRO 108 Ca 0.76 1.95 -0.15 0.00 0.02 0.00 0.00 61.00 63.58 1wek s PRO 108 Cb -0.39 -2.67 0.04 0.00 0.02 0.00 0.00 34.50 31.50 1wek s PRO 108 CO 0.47 -0.42 1.21 0.54 -0.33 0.00 0.00 177.00 178.47 1wek s ASN 109 N -1.02 4.16 -0.22 2.53 2.20 -0.96 -4.88 114.94 116.75 1wek s ASN 109 Ca 0.58 2.38 0.01 0.00 -0.94 0.00 0.00 52.86 54.89 1wek s ASN 109 Cb -0.33 -2.59 0.27 0.00 -2.00 0.00 0.00 41.25 36.60 1wek s ASN 109 CO 0.42 -2.29 1.55 -0.81 -2.94 0.00 0.00 177.10 173.03 1wek n PRO 110 N -2.72 1.59 -1.99 3.55 -0.04 -1.26 -4.38 135.00 129.75 1wek n PRO 110 Ca 0.14 -1.35 -0.13 0.00 -0.04 0.00 0.00 63.50 62.13 1wek n PRO 110 Cb 0.50 -1.53 0.05 0.00 -0.04 0.00 0.00 33.50 32.49 1wek n PRO 110 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wek n TYR 111 N -0.06 1.86 -3.91 0.54 0.53 -1.26 -5.03 117.16 109.83 1wek n TYR 111 Ca 0.27 -2.00 -0.35 0.00 -1.02 0.00 0.00 57.90 54.79 1wek n TYR 111 Cb 0.91 -0.29 -0.13 0.00 -1.03 0.00 0.00 39.34 38.80 1wek n TYR 111 CO 0.00 0.00 0.00 -0.65 -1.02 0.00 0.00 176.86 175.19 1wek s GLN 112 N -3.39 3.55 0.13 -0.72 -0.21 -1.26 -4.49 119.66 113.26 1wek s GLN 112 Ca 0.42 -0.54 -0.13 0.00 0.02 0.00 0.00 55.36 55.14 1wek s GLN 112 Cb 0.38 -3.14 -0.04 0.00 1.00 0.00 0.00 33.01 31.21 1wek s GLN 112 CO -0.01 -0.13 1.49 1.15 -2.12 0.00 0.00 175.29 175.67 1wek h THR 113 N 5.55 1.28 -3.42 -0.19 2.02 0.11 -3.42 112.91 114.84 1wek h THR 113 Ca -0.39 -1.39 -0.52 0.00 0.77 0.00 0.00 66.41 64.89 1wek h THR 113 Cb 1.17 1.36 -0.33 0.00 -1.74 0.00 0.00 68.15 68.60 1wek h THR 113 CO 0.60 0.46 -0.81 -1.00 0.37 0.00 0.00 175.52 175.13 1wek s HIS 114 N -4.54 1.46 -0.13 3.16 3.76 -1.03 -4.99 115.29 112.97 1wek s HIS 114 Ca -0.12 -0.54 0.02 0.00 -0.15 0.00 0.00 55.06 54.27 1wek s HIS 114 Cb 0.10 -1.07 0.01 0.00 1.11 0.00 0.00 32.58 32.73 1wek s HIS 114 CO 0.85 -0.28 -0.18 0.00 -0.85 0.00 0.00 174.74 174.27 1wek s ALA 115 N 0.66 2.01 -0.06 -1.40 0.00 -1.26 -1.50 121.76 120.21 1wek s ALA 115 Ca -0.15 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 50.90 1wek s ALA 115 Cb -0.16 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 1wek s ALA 115 CO 0.04 -0.12 -0.15 -0.51 0.00 0.00 0.00 175.76 175.02 1wek s LEU 116 N 1.00 2.69 -0.27 0.00 1.02 0.04 -4.99 118.68 118.17 1wek s LEU 116 Ca -0.04 -0.23 -0.02 0.00 0.02 0.00 0.00 54.13 53.86 1wek s LEU 116 Cb -0.15 -1.55 0.03 0.00 0.02 0.00 0.00 46.19 44.55 1wek s LEU 116 CO -0.04 0.33 -0.02 -0.55 0.02 0.00 0.00 176.35 176.09 1wek s SER 117 N -0.61 4.61 0.10 2.29 0.15 -1.26 -0.11 113.70 118.86 1wek s SER 117 Ca 0.09 -0.97 0.07 0.00 0.70 0.00 0.00 55.95 55.84 1wek s SER 117 Cb -0.11 -1.71 -0.04 0.00 -1.71 0.00 0.00 66.02 62.45 1wek s SER 117 CO 0.01 -0.18 -0.12 -0.76 1.20 0.00 0.00 173.24 173.40 1wek s LEU 118 N 1.33 2.97 -0.08 3.45 2.01 0.33 -4.97 118.68 123.72 1wek s LEU 118 Ca -0.01 -0.40 0.20 0.00 0.01 0.00 0.00 54.13 53.92 1wek s LEU 118 Cb -0.18 -1.77 -0.27 0.00 0.01 0.00 0.00 46.19 43.99 1wek s LEU 118 CO -0.02 0.19 0.38 -1.14 1.01 0.00 0.00 176.35 176.76 1wek n ARG 119 N 0.81 0.67 -4.74 1.70 3.00 -1.26 -0.58 116.66 116.25 1wek n ARG 119 Ca -0.14 -0.06 -0.33 0.00 -0.00 0.00 0.00 57.85 57.32 1wek n ARG 119 Cb 0.52 -1.57 -0.14 0.00 0.00 0.00 0.00 32.46 31.28 1wek n ARG 119 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1wek s TYR 120 N -3.03 2.83 0.19 -0.14 1.51 -1.26 -4.63 117.35 112.82 1wek s TYR 120 Ca -0.08 -0.53 -0.12 0.00 -1.01 0.00 0.00 57.07 55.33 1wek s TYR 120 Cb 0.10 -1.83 0.13 0.00 -0.11 0.00 0.00 41.96 40.25 1wek s TYR 120 CO 0.86 -0.13 1.85 0.74 -1.11 0.00 0.00 175.55 177.76 1wek h PHE 121 N 6.51 0.76 -0.53 2.71 -1.00 -1.97 -2.33 116.94 121.10 1wek h PHE 121 Ca -0.29 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.50 1wek h PHE 121 Cb 1.20 -0.25 -0.03 0.00 3.61 0.00 0.00 35.95 40.48 1wek h PHE 121 CO 0.51 0.46 0.28 0.27 -1.61 0.00 0.00 178.31 178.21 1wek h PHE 122 N 0.81 0.70 -0.18 -0.55 -5.15 -1.98 0.61 116.94 111.20 1wek h PHE 122 Ca 0.24 -0.01 -0.05 0.00 -0.20 0.00 0.00 57.97 57.95 1wek h PHE 122 Cb -0.04 -0.23 -0.00 0.00 0.22 0.00 0.00 35.95 35.90 1wek h PHE 122 CO -0.04 0.50 -0.08 0.28 -2.00 0.00 0.00 178.31 176.96 1wek h VAL 123 N 0.73 1.31 -0.77 0.88 2.07 -1.92 -1.42 116.25 117.12 1wek h VAL 123 Ca 0.19 -1.13 0.07 0.00 0.82 0.00 0.00 66.70 66.65 1wek h VAL 123 Cb 0.03 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 1wek h VAL 123 CO -0.03 0.34 0.51 -0.09 0.02 0.00 0.00 177.57 178.31 1wek h ARG 124 N 0.06 0.78 -0.29 1.57 2.43 -0.71 -1.06 114.38 117.15 1wek h ARG 124 Ca 0.04 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 1wek h ARG 124 Cb 0.56 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1wek h ARG 124 CO 0.03 0.51 -0.13 0.87 -1.51 0.00 0.00 179.97 179.74 1wek h LYS 125 N 0.80 0.60 -0.72 0.20 1.57 0.53 -2.01 116.57 117.54 1wek h LYS 125 Ca 0.34 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1wek h LYS 125 Cb 0.29 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1wek h LYS 125 CO -0.12 0.83 0.26 0.28 -0.57 0.00 0.00 179.45 180.13 1wek h VAL 126 N 0.36 1.25 0.00 0.50 2.07 -0.79 -2.38 116.25 117.26 1wek h VAL 126 Ca 0.07 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 1wek h VAL 126 Cb 0.64 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1wek h VAL 126 CO 0.04 0.33 -0.19 -0.07 0.02 0.00 0.00 177.57 177.70 1wek h LEU 127 N 1.05 0.00 -0.77 2.57 3.38 -1.11 0.20 115.31 120.62 1wek h LEU 127 Ca 0.24 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 1wek h LEU 127 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1wek h LEU 127 CO -0.01 0.19 -0.40 -0.26 0.09 0.00 0.00 178.44 178.04 1wek h PHE 128 N 0.00 0.00 0.00 1.13 0.05 -0.84 -3.36 116.94 113.92 1wek h PHE 128 Ca -0.00 0.00 -0.40 0.00 3.82 0.00 0.00 57.97 61.39 1wek h PHE 128 Cb 0.48 0.00 -0.07 0.00 2.00 0.00 0.00 35.95 38.37 1wek h PHE 128 CO 0.00 0.40 -2.44 0.28 -0.18 0.00 0.00 178.31 176.38 1wek n VAL 129 N -3.48 1.44 -0.33 -0.55 0.31 -0.86 -4.42 118.33 110.44 1wek n VAL 129 Ca 0.00 -0.49 0.20 0.00 -0.01 0.00 0.00 64.34 64.04 1wek n VAL 129 Cb 0.55 -1.53 0.38 0.00 -0.91 0.00 0.00 33.84 32.34 1wek n VAL 129 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1wek h ARG 130 N -0.29 0.02 -0.04 5.55 2.43 -0.77 -2.29 114.38 118.99 1wek h ARG 130 Ca -0.59 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.56 1wek h ARG 130 Cb 1.78 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.31 1wek h ARG 130 CO -0.18 0.01 -0.36 0.66 -1.51 0.00 0.00 179.97 178.59 1wek n TYR 131 N -5.40 0.14 -3.52 2.20 4.02 -1.26 -5.06 117.16 108.28 1wek n TYR 131 Ca 0.28 -1.41 -0.38 0.00 -0.01 0.00 0.00 57.90 56.38 1wek n TYR 131 Cb 0.92 -0.26 -0.06 0.00 -0.02 0.00 0.00 39.34 39.92 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 -3.17 3.70 -2.17 -0.72 0.00 -0.86 -4.14 121.76 114.40 1wek s ALA 132 Ca 0.38 -0.24 0.22 0.00 0.00 0.00 0.00 51.96 52.32 1wek s ALA 132 Cb 0.36 -2.37 0.50 0.00 0.00 0.00 0.00 23.12 21.61 1wek s ALA 132 CO -0.04 0.47 1.44 1.33 0.00 0.00 0.00 175.76 178.96 1wek n VAL 133 N 1.89 0.72 0.00 0.00 0.24 -0.02 -5.00 118.33 116.17 1wek n VAL 133 Ca -0.14 -0.86 0.00 0.00 -2.04 0.00 0.00 64.34 61.30 1wek n VAL 133 Cb 0.52 0.77 0.00 0.00 -1.47 0.00 0.00 33.84 33.67 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 1.50 1.97 2.96 7.63 0.00 -1.26 -4.38 105.19 113.61 1wek n GLY 134 Ca 0.21 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 45.17 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 0.61 -0.08 1.61 0.40 -0.58 -1.73 117.98 116.21 1wek s PHE 135 Ca 0.00 -0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.22 1wek s PHE 135 Cb 0.00 -0.44 0.01 0.00 0.51 0.00 0.00 43.02 43.11 1wek s PHE 135 CO 0.00 -0.05 -0.13 0.08 0.70 0.00 0.00 175.22 175.82 1wek s VAL 136 N 0.12 1.23 -0.23 -0.44 1.01 0.07 -1.42 120.40 120.74 1wek s VAL 136 Ca -0.01 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 1wek s VAL 136 Cb -0.06 -1.14 -0.00 0.00 0.00 0.00 0.00 36.38 35.19 1wek s VAL 136 CO -0.00 0.38 -0.03 -0.36 0.00 0.00 0.00 175.10 175.09 1wek s PHE 137 N 0.85 2.99 0.43 5.22 0.40 0.11 -0.96 117.98 127.03 1wek s PHE 137 Ca -0.11 -1.03 0.03 0.00 -0.60 0.00 0.00 56.93 55.23 1wek s PHE 137 Cb -0.15 -2.11 0.00 0.00 0.51 0.00 0.00 43.02 41.27 1wek s PHE 137 CO 0.01 -0.58 0.62 -0.51 0.70 0.00 0.00 175.22 175.47 1wek s LEU 138 N 1.46 3.66 0.12 -0.37 1.43 0.40 -0.37 118.68 125.01 1wek s LEU 138 Ca 0.05 -0.00 -0.35 0.00 -1.03 0.00 0.00 54.13 52.79 1wek s LEU 138 Cb -0.15 -2.92 -0.16 0.00 0.03 0.00 0.00 46.19 42.99 1wek s LEU 138 CO -0.03 -0.73 1.39 -2.65 0.23 0.00 0.00 176.35 174.56 1wek n PRO 139 N -1.98 1.45 0.00 1.29 -0.02 -1.26 -4.39 135.00 130.09 1wek n PRO 139 Ca 0.03 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1wek n PRO 139 Cb 0.58 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1wek n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wek n GLY 140 N 2.68 4.17 0.00 -1.23 0.00 -1.26 -1.38 105.19 108.17 1wek n GLY 140 Ca 0.17 -0.99 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 5.04 0.16 -0.02 0.00 -1.26 -4.86 105.19 104.26 1wek n GLY 141 Ca 0.00 -1.16 -0.06 0.00 0.00 0.00 0.00 46.02 44.80 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 0.24 -0.92 1.61 0.05 -2.00 -1.92 116.94 114.00 1wek h PHE 142 Ca 0.00 0.02 0.01 0.00 3.82 0.00 0.00 57.97 61.82 1wek h PHE 142 Cb 0.00 -0.05 -0.05 0.00 2.00 0.00 0.00 35.95 37.85 1wek h PHE 142 CO 0.00 0.10 0.61 0.78 -0.18 0.00 0.00 178.31 179.62 1wek h GLY 143 N 0.29 1.29 1.16 -1.45 0.00 -1.97 0.58 103.07 102.97 1wek h GLY 143 Ca 0.17 -0.48 -0.15 0.00 0.00 0.00 0.00 47.33 46.87 1wek h GLY 143 CO -0.17 0.47 -0.36 -0.84 0.00 0.00 0.00 176.54 175.64 1wek h THR 144 N 1.24 1.27 -0.31 4.70 2.02 -1.80 -1.75 112.91 118.28 1wek h THR 144 Ca 0.34 -1.53 -0.10 0.00 0.77 0.00 0.00 66.41 65.89 1wek h THR 144 Cb -0.14 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1wek h THR 144 CO -0.07 0.51 -0.22 0.25 0.37 0.00 0.00 175.52 176.36 1wek h LEU 145 N 0.77 0.60 0.23 2.58 6.46 -1.13 -0.99 115.31 123.81 1wek h LEU 145 Ca 0.07 -0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 57.63 1wek h LEU 145 Cb 0.94 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.70 1wek h LEU 145 CO 0.09 0.81 -0.19 -0.78 -0.62 0.00 0.00 178.44 177.75 1wek h ASP 146 N 0.53 -0.50 -0.49 1.25 3.58 -0.51 0.04 116.42 120.31 1wek h ASP 146 Ca 0.08 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 1wek h ASP 146 Cb 0.66 0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.86 1wek h ASP 146 CO 0.05 -0.29 0.29 -0.33 -2.88 0.00 0.00 179.24 176.07 1wek h GLU 147 N -0.44 0.66 0.45 0.28 4.39 -1.15 -2.35 114.58 116.42 1wek h GLU 147 Ca -0.01 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1wek h GLU 147 Cb 0.39 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1wek h GLU 147 CO -0.02 0.49 -0.30 1.25 -1.16 0.00 0.00 179.01 179.27 1wek h LEU 148 N 0.65 -0.75 -1.44 1.33 6.46 -0.91 -1.37 115.31 119.27 1wek h LEU 148 Ca 0.17 0.05 0.10 0.00 -0.12 0.00 0.00 57.88 58.09 1wek h LEU 148 Cb 0.01 0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 40.11 1wek h LEU 148 CO -0.03 -0.46 0.49 0.77 -0.62 0.00 0.00 178.44 178.59 1wek h SER 149 N -0.72 0.56 0.03 1.25 4.64 -0.97 0.10 113.55 118.44 1wek h SER 149 Ca -0.05 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1wek h SER 149 Cb 0.60 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1wek h SER 149 CO 0.04 0.33 -0.01 -0.08 -0.87 0.00 0.00 176.83 176.23 1wek h GLU 150 N 0.61 -0.04 -0.75 4.77 4.81 -1.01 -1.86 114.58 121.12 1wek h GLU 150 Ca 0.34 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.53 1wek h GLU 150 Cb 0.52 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 1wek h GLU 150 CO -0.12 0.21 0.29 0.28 -0.73 0.00 0.00 179.01 178.94 1wek h VAL 151 N -0.28 1.25 -0.34 0.32 2.07 -0.28 -2.23 116.25 116.76 1wek h VAL 151 Ca -0.00 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.75 1wek h VAL 151 Cb 0.26 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1wek h VAL 151 CO 0.01 0.33 0.12 -0.07 0.02 0.00 0.00 177.57 177.97 1wek h LEU 152 N 1.09 0.13 0.44 2.57 3.38 -0.67 -1.32 115.31 120.93 1wek h LEU 152 Ca 0.25 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1wek h LEU 152 Cb 0.22 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1wek h LEU 152 CO -0.02 0.11 -0.33 0.58 0.09 0.00 0.00 178.44 178.87 1wek h VAL 153 N 0.26 0.32 -0.98 1.22 2.07 -1.04 0.11 116.25 118.21 1wek h VAL 153 Ca 0.15 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.87 1wek h VAL 153 Cb 0.13 0.32 -0.09 0.00 -1.52 0.00 0.00 31.29 30.13 1wek h VAL 153 CO -0.16 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 177.98 1wek h LEU 154 N -0.76 0.68 0.06 2.57 3.38 -1.20 0.35 115.31 120.40 1wek h LEU 154 Ca -0.04 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1wek h LEU 154 Cb 0.65 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1wek h LEU 154 CO 0.01 0.25 -0.03 -0.07 0.09 0.00 0.00 178.44 178.69 1wek h LEU 155 N 0.67 -0.07 -1.18 1.67 4.07 -0.93 0.23 115.31 119.76 1wek h LEU 155 Ca 0.55 -0.56 0.15 0.00 0.08 0.00 0.00 57.88 58.09 1wek h LEU 155 Cb 0.98 0.02 -0.08 0.00 1.08 0.00 0.00 40.66 42.66 1wek h LEU 155 CO -0.32 0.61 0.60 -0.61 -1.08 0.00 0.00 178.44 177.64 1wek h GLN 156 N -0.84 0.75 -0.01 1.13 4.15 -0.42 0.27 115.11 120.14 1wek h GLN 156 Ca -0.01 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1wek h GLN 156 Cb 0.63 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1wek h GLN 156 CO 0.01 0.50 -0.22 -2.37 -1.93 0.00 0.00 178.83 174.82 1wek n THR 157 N -4.60 0.00 -2.82 2.39 5.66 0.08 -4.95 114.28 110.04 1wek n THR 157 Ca 0.19 -0.12 -0.20 0.00 -3.05 0.00 0.00 64.05 60.86 1wek n THR 157 Cb 0.46 0.32 0.02 0.00 -1.55 0.00 0.00 70.33 69.58 1wek n THR 157 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1wek n GLU 158 N -0.68 -3.86 0.18 1.09 1.02 0.08 -4.87 120.64 113.61 1wek n GLU 158 Ca 0.13 0.86 0.08 0.00 -0.02 0.00 0.00 57.16 58.21 1wek n GLU 158 Cb 0.34 -5.54 0.11 0.00 -0.02 0.00 0.00 31.44 26.32 1wek n GLU 158 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1wek h LYS 159 N -1.00 0.00 -5.08 3.49 1.79 -0.84 -3.44 116.57 111.49 1wek h LYS 159 Ca -0.48 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 57.60 1wek h LYS 159 Cb 1.34 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.75 1wek h LYS 159 CO 0.53 0.18 -0.77 0.14 -1.08 0.00 0.00 179.45 178.44 1wek s VAL 160 N -3.12 0.93 0.57 0.50 -7.23 -1.15 -5.06 120.40 105.84 1wek s VAL 160 Ca 0.05 -1.02 -0.20 0.00 -1.81 0.00 0.00 61.98 59.01 1wek s VAL 160 Cb 0.06 -0.88 -0.05 0.00 0.56 0.00 0.00 36.38 36.07 1wek s VAL 160 CO 0.70 -0.12 1.10 1.57 -0.31 0.00 0.00 175.10 178.04 1wek n HIS 161 N 1.76 1.34 -1.18 2.82 -0.00 -1.26 -4.62 115.22 114.07 1wek n HIS 161 Ca -0.19 0.45 -0.33 0.00 0.46 0.00 0.00 57.72 58.10 1wek n HIS 161 Cb 0.55 -2.22 0.12 0.00 -0.12 0.00 0.00 29.99 28.32 1wek n HIS 161 CO 0.00 0.00 0.00 0.50 0.46 0.00 0.00 176.34 177.30 1wek s ARG 162 N -2.77 1.76 -0.05 1.57 6.06 -1.26 -4.96 118.95 119.30 1wek s ARG 162 Ca 0.74 1.71 -0.29 0.00 -2.50 0.00 0.00 55.73 55.39 1wek s ARG 162 Cb -0.43 -1.79 0.10 0.00 0.06 0.00 0.00 34.95 32.89 1wek s ARG 162 CO 0.48 -2.11 0.84 -0.06 -2.50 0.00 0.00 175.30 171.95 1wek s PHE 163 N -2.19 -0.46 0.28 5.12 0.40 -1.26 -5.04 117.98 114.84 1wek s PHE 163 Ca 0.72 0.61 -0.30 0.00 -0.60 0.00 0.00 56.93 57.37 1wek s PHE 163 Cb -0.28 0.48 -0.10 0.00 0.51 0.00 0.00 43.02 43.63 1wek s PHE 163 CO 0.50 -0.52 1.45 -2.14 0.70 0.00 0.00 175.22 175.21 1wek s PRO 164 N -1.97 4.24 -0.12 0.24 0.02 -1.26 -4.89 135.00 131.25 1wek s PRO 164 Ca -0.02 2.36 0.01 0.00 0.02 0.00 0.00 61.00 63.38 1wek s PRO 164 Cb -0.01 -3.07 0.02 0.00 0.02 0.00 0.00 34.50 31.46 1wek s PRO 164 CO -0.01 -0.43 -0.15 0.08 -0.33 0.00 0.00 177.00 176.16 1wek s VAL 165 N -0.29 1.52 0.02 3.83 1.01 -1.26 -1.52 120.40 123.71 1wek s VAL 165 Ca 0.58 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 62.01 1wek s VAL 165 Cb -0.43 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1wek s VAL 165 CO 0.48 0.45 -0.26 -0.36 0.00 0.00 0.00 175.10 175.40 1wek s PHE 166 N 1.17 2.32 -0.21 5.22 0.40 -0.51 -1.00 117.98 125.38 1wek s PHE 166 Ca -0.02 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 1wek s PHE 166 Cb -0.14 -1.43 0.03 0.00 0.51 0.00 0.00 43.02 41.99 1wek s PHE 166 CO -0.05 0.07 -0.14 -0.51 0.70 0.00 0.00 175.22 175.29 1wek s LEU 167 N -1.02 2.65 -0.02 -0.37 1.43 0.05 0.08 118.68 121.48 1wek s LEU 167 Ca 0.11 -0.82 -0.17 0.00 -1.03 0.00 0.00 54.13 52.22 1wek s LEU 167 Cb -0.10 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 1wek s LEU 167 CO 0.01 -0.06 0.48 -0.76 0.23 0.00 0.00 176.35 176.25 1wek s LEU 168 N 1.27 4.42 0.00 1.79 1.43 0.50 -2.14 118.68 125.96 1wek s LEU 168 Ca 0.01 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 1wek s LEU 168 Cb -0.15 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1wek s LEU 168 CO -0.09 0.19 0.00 -0.67 0.23 0.00 0.00 176.35 176.01 1wek n ASP 169 N 2.44 -1.51 -0.18 2.29 4.64 -0.21 -4.00 116.55 120.01 1wek n ASP 169 Ca -0.10 0.00 -0.01 0.00 -1.38 0.00 0.00 54.79 53.30 1wek n ASP 169 Cb 0.52 -0.76 0.07 0.00 -1.04 0.00 0.00 41.12 39.91 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 0.06 0.00 -0.67 3.08 -1.84 -2.36 114.38 112.65 1wek h ARG 170 Ca 0.00 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1wek h ARG 170 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1wek h ARG 170 CO 0.00 0.04 -0.20 0.78 -1.07 0.00 0.00 179.97 179.52 1wek h GLY 171 N 0.06 0.00 1.25 0.04 0.00 -1.95 0.48 103.07 102.96 1wek h GLY 171 Ca 0.28 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.42 1wek h GLY 171 CO -0.52 0.00 -0.65 -1.82 0.00 0.00 0.00 176.54 173.55 1wek h TYR 172 N 0.00 0.99 0.00 5.60 3.20 -1.77 -3.28 116.97 121.71 1wek h TYR 172 Ca -0.00 -0.39 0.00 0.00 3.14 0.00 0.00 58.73 61.48 1wek h TYR 172 Cb 0.36 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.46 1wek h TYR 172 CO 0.00 1.20 -0.55 0.91 -1.64 0.00 0.00 178.16 178.09 1wek n TRP 173 N -3.96 0.09 -0.23 -3.82 7.02 -1.05 -4.38 117.44 111.11 1wek n TRP 173 Ca -0.05 0.03 -0.01 0.00 -1.02 0.00 0.00 57.50 56.44 1wek n TRP 173 Cb 0.68 -0.32 0.05 0.00 -2.42 0.00 0.00 31.31 29.30 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 0.00 -0.05 -0.55 -0.99 4.81 -0.97 -1.47 114.58 115.36 1wek h GLU 174 Ca 0.00 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1wek h GLU 174 Cb 0.55 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.84 1wek h GLU 174 CO 0.00 -0.03 -0.10 0.78 -0.73 0.00 0.00 179.01 178.93 1wek h GLY 175 N -0.05 0.45 0.73 1.92 0.00 -1.81 -1.29 103.07 103.01 1wek h GLY 175 Ca 0.30 0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.78 1wek h GLY 175 CO -0.70 -0.20 0.00 -2.00 0.00 0.00 0.00 176.54 173.64 1wek h LEU 176 N 0.03 0.09 -0.76 3.11 6.46 -1.60 -2.92 115.31 119.71 1wek h LEU 176 Ca 0.27 -0.31 0.12 0.00 -0.12 0.00 0.00 57.88 57.85 1wek h LEU 176 Cb 0.42 -0.02 -0.08 0.00 -0.73 0.00 0.00 40.66 40.24 1wek h LEU 176 CO -0.54 0.38 0.36 0.58 -0.62 0.00 0.00 178.44 178.60 1wek h VAL 177 N -0.20 0.76 -0.60 1.05 2.07 -0.94 -0.75 116.25 117.65 1wek h VAL 177 Ca 0.02 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.24 1wek h VAL 177 Cb 0.33 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1wek h VAL 177 CO 0.00 0.10 -0.01 0.03 0.02 0.00 0.00 177.57 177.72 1wek h ARG 178 N 0.57 1.06 -0.62 1.57 3.08 -1.24 -1.05 114.38 117.74 1wek h ARG 178 Ca 0.40 -0.34 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 1wek h ARG 178 Cb 0.52 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1wek h ARG 178 CO -0.33 1.04 0.15 2.35 -1.07 0.00 0.00 179.97 182.11 1wek h TRP 179 N 0.96 1.02 -0.09 3.04 7.01 -1.20 -0.44 115.95 126.25 1wek h TRP 179 Ca 0.17 -0.11 -0.05 0.00 2.11 0.00 0.00 58.89 61.01 1wek h TRP 179 Cb 0.57 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 1wek h TRP 179 CO 0.04 0.84 -0.18 -0.07 -2.79 0.00 0.00 178.44 176.28 1wek h LEU 180 N 0.94 0.13 -0.82 0.65 3.38 -0.75 0.77 115.31 119.60 1wek h LEU 180 Ca 0.20 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 1wek h LEU 180 Cb 0.34 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1wek h LEU 180 CO 0.00 0.32 -0.54 0.00 0.09 0.00 0.00 178.44 178.31 1wek h ALA 181 N 1.69 1.01 -0.44 1.53 0.00 -0.02 -1.03 119.26 122.00 1wek h ALA 181 Ca 0.03 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 1wek h ALA 181 Cb 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1wek h ALA 181 CO 0.03 0.69 -0.23 0.35 0.00 0.00 0.00 179.25 180.08 1wek h PHE 182 N 0.09 1.03 -0.87 0.00 3.57 0.46 0.37 116.94 121.60 1wek h PHE 182 Ca -0.00 -0.25 -0.03 0.00 3.53 0.00 0.00 57.97 61.22 1wek h PHE 182 Cb 0.99 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 1wek h PHE 182 CO 0.01 1.03 0.44 -0.07 -2.23 0.00 0.00 178.31 177.49 1wek h LEU 183 N 0.78 1.12 -0.93 0.59 3.38 -0.20 0.40 115.31 120.45 1wek h LEU 183 Ca 0.10 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1wek h LEU 183 Cb 0.78 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1wek h LEU 183 CO 0.06 0.93 -0.14 -0.09 0.09 0.00 0.00 178.44 179.29 1wek h ARG 184 N 1.23 0.63 -0.41 1.13 2.43 -0.70 0.24 114.38 118.93 1wek h ARG 184 Ca 0.30 -0.20 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 1wek h ARG 184 Cb 0.09 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1wek h ARG 184 CO -0.04 0.74 -0.10 -0.44 -1.51 0.00 0.00 179.97 178.62 1wek h ASP 185 N 0.57 0.70 0.19 -3.80 3.45 0.23 -1.52 116.42 116.24 1wek h ASP 185 Ca 0.10 -0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.36 1wek h ASP 185 Cb 0.57 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 1wek h ASP 185 CO 0.04 0.83 0.00 0.00 -1.57 0.00 0.00 179.24 178.54 1wek n GLN 186 N -4.18 0.75 -1.89 3.56 1.13 0.02 -4.89 117.38 111.88 1wek n GLN 186 Ca 0.01 0.01 -0.15 0.00 -1.94 0.00 0.00 57.00 54.93 1wek n GLN 186 Cb 0.35 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.17 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 -1.10 -1.11 0.12 -1.09 5.02 -0.57 -4.89 118.16 114.54 1wek n LYS 187 Ca 0.19 0.86 0.01 0.00 -2.02 0.00 0.00 58.31 57.35 1wek n LYS 187 Cb 0.15 -5.09 0.00 0.00 -0.02 0.00 0.00 35.03 30.06 1wek n LYS 187 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wek h ALA 188 N 0.38 0.64 -3.18 7.82 0.00 -0.79 -3.45 119.26 120.68 1wek h ALA 188 Ca -0.33 -0.53 -0.48 0.00 0.00 0.00 0.00 54.91 53.57 1wek h ALA 188 Cb 1.13 -0.06 -0.20 0.00 0.00 0.00 0.00 17.79 18.66 1wek h ALA 188 CO 0.43 0.72 -0.78 0.14 0.00 0.00 0.00 179.25 179.75 1wek s VAL 189 N -2.93 1.50 1.06 0.00 -7.23 -1.23 -4.99 120.40 106.58 1wek s VAL 189 Ca 0.03 -1.65 -0.12 0.00 -1.81 0.00 0.00 61.98 58.44 1wek s VAL 189 Cb 0.08 -1.53 0.22 0.00 0.56 0.00 0.00 36.38 35.71 1wek s VAL 189 CO 0.76 -0.27 1.04 0.61 -0.31 0.00 0.00 175.10 176.93 1wek n GLY 190 N 0.74 -1.29 0.24 2.32 0.00 -1.26 -4.57 105.19 101.37 1wek n GLY 190 Ca -0.17 -0.95 0.06 0.00 0.00 0.00 0.00 46.02 44.96 1wek n GLY 190 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1wek h PRO 191 N -2.31 0.00 -0.17 1.61 0.11 -1.99 -2.90 132.00 126.36 1wek h PRO 191 Ca -0.53 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1wek h PRO 191 Cb 1.30 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1wek h PRO 191 CO 0.45 0.12 0.00 0.39 -0.21 0.00 0.00 178.00 178.75 1wek n GLU 192 N -4.40 1.68 0.24 1.05 -0.58 -1.26 -4.64 120.64 112.73 1wek n GLU 192 Ca -0.03 -1.69 0.07 0.00 -0.42 0.00 0.00 57.16 55.09 1wek n GLU 192 Cb 0.19 -1.32 0.57 0.00 -0.57 0.00 0.00 31.44 30.31 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 2.99 0.00 0.68 1.62 3.32 -1.86 -2.32 116.42 120.84 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 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1wek h ASP 193 CO 0.00 0.12 0.00 0.18 -1.72 0.00 0.00 179.24 177.82 1wek n LEU 194 N -4.33 0.00 -0.36 1.55 4.32 -1.26 -2.19 117.00 114.73 1wek n LEU 194 Ca -0.03 0.49 0.14 0.00 -0.02 0.00 0.00 56.01 56.60 1wek n LEU 194 Cb 0.19 -0.49 0.62 0.00 -1.62 0.00 0.00 43.42 42.12 1wek n LEU 194 CO 0.35 -0.15 0.93 0.00 -1.22 0.00 0.00 177.39 177.29 1wek n GLN 195 N -1.49 1.50 0.24 3.23 3.00 -0.87 -3.71 117.38 119.27 1wek n GLN 195 Ca 0.05 -0.73 0.16 0.00 -0.01 0.00 0.00 57.00 56.47 1wek n GLN 195 Cb 0.23 -1.48 0.76 0.00 0.00 0.00 0.00 30.24 29.75 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 1.77 0.00 -8.93 1.08 4.07 -1.59 -3.44 115.31 108.28 1wek h LEU 196 Ca 0.00 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.59 1wek h LEU 196 Cb 0.38 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 41.97 1wek h LEU 196 CO 0.00 0.00 -0.62 0.72 -1.08 0.00 0.00 178.44 177.46 1wek s PHE 197 N -3.68 1.59 -0.02 1.13 -0.12 -1.24 -4.26 117.98 111.37 1wek s PHE 197 Ca -0.00 -1.11 -0.01 0.00 -0.05 0.00 0.00 56.93 55.76 1wek s PHE 197 Cb 0.10 -0.95 0.01 0.00 -0.63 0.00 0.00 43.02 41.54 1wek s PHE 197 CO 0.42 -0.24 0.04 1.03 -0.05 0.00 0.00 175.22 176.41 1wek s ARG 198 N -3.99 0.04 0.01 1.99 0.52 -0.17 -4.99 118.95 112.37 1wek s ARG 198 Ca 0.36 0.07 -0.10 0.00 -0.52 0.00 0.00 55.73 55.54 1wek s ARG 198 Cb 0.08 -0.00 -0.05 0.00 0.52 0.00 0.00 34.95 35.49 1wek s ARG 198 CO 0.13 -0.02 0.33 -0.51 0.02 0.00 0.00 175.30 175.25 1wek s LEU 199 N 0.12 4.39 0.19 2.53 2.01 -1.26 -0.77 118.68 125.90 1wek s LEU 199 Ca -0.01 0.72 -0.20 0.00 0.01 0.00 0.00 54.13 54.66 1wek s LEU 199 Cb -0.01 -2.67 0.04 0.00 0.01 0.00 0.00 46.19 43.56 1wek s LEU 199 CO -0.00 0.27 0.57 0.42 1.01 0.00 0.00 176.35 178.61 1wek s THR 200 N -1.24 0.02 -0.49 5.49 -4.23 -0.91 -4.94 115.64 109.34 1wek s THR 200 Ca 0.27 -0.55 0.04 0.00 -1.18 0.00 0.00 61.69 60.26 1wek s THR 200 Cb -0.14 -1.43 0.02 0.00 1.34 0.00 0.00 72.50 72.29 1wek s THR 200 CO 0.14 -0.08 0.56 0.47 -0.54 0.00 0.00 174.62 175.18 1wek n ASP 201 N -0.36 1.17 -4.10 3.99 8.00 -1.26 -1.05 116.55 122.93 1wek n ASP 201 Ca -0.12 -1.09 -0.32 0.00 0.71 0.00 0.00 54.79 53.98 1wek n ASP 201 Cb 0.63 0.16 -0.16 0.00 -0.02 0.00 0.00 41.12 41.73 1wek n ASP 201 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1wek s GLU 202 N -0.53 2.80 0.16 -1.24 2.56 -1.26 -4.80 118.70 116.40 1wek s GLU 202 Ca 0.05 -0.76 -0.15 0.00 0.00 0.00 0.00 54.97 54.10 1wek s GLU 202 Cb 0.04 -2.40 0.05 0.00 2.00 0.00 0.00 34.13 33.82 1wek s GLU 202 CO 0.07 -0.17 1.81 -1.35 -0.56 0.00 0.00 175.26 175.06 1wek h PRO 203 N 7.81 0.52 -0.91 4.30 0.11 -1.94 -2.22 132.00 139.66 1wek h PRO 203 Ca -0.41 -0.03 0.24 0.00 0.11 0.00 0.00 66.00 65.91 1wek h PRO 203 Cb 1.15 -0.12 -0.13 0.00 0.11 0.00 0.00 31.00 32.01 1wek h PRO 203 CO 0.59 0.34 0.38 0.93 -0.21 0.00 0.00 178.00 180.03 1wek h GLU 204 N 0.53 0.33 -0.52 1.05 3.07 -1.95 0.34 114.58 117.44 1wek h GLU 204 Ca 0.17 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.96 1wek h GLU 204 Cb 0.00 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 1wek h GLU 204 CO -0.07 0.22 0.12 0.93 -1.40 0.00 0.00 179.01 178.80 1wek h GLU 205 N 0.34 0.79 -0.04 2.33 5.08 -1.83 -1.26 114.58 119.99 1wek h GLU 205 Ca 0.58 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1wek h GLU 205 Cb 1.17 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1wek h GLU 205 CO -0.57 0.72 0.01 0.28 -1.00 0.00 0.00 179.01 178.45 1wek h VAL 206 N 0.76 1.17 -0.79 3.13 2.07 -0.28 -2.14 116.25 120.18 1wek h VAL 206 Ca 0.17 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1wek h VAL 206 Cb 0.30 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1wek h VAL 206 CO -0.00 0.14 0.45 0.58 0.02 0.00 0.00 177.57 178.76 1wek h VAL 207 N -0.13 1.23 -0.39 2.57 2.07 -1.05 -1.74 116.25 118.81 1wek h VAL 207 Ca 0.01 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1wek h VAL 207 Cb 0.21 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1wek h VAL 207 CO -0.00 0.25 0.15 1.56 0.02 0.00 0.00 177.57 179.55 1wek h GLN 208 N 1.09 0.59 -0.45 1.57 1.08 -1.12 0.09 115.11 117.95 1wek h GLN 208 Ca 0.28 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 1wek h GLN 208 Cb -0.01 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 1wek h GLN 208 CO -0.05 0.56 0.24 0.00 -0.95 0.00 0.00 178.83 178.63 1wek h ALA 209 N 1.00 1.57 0.04 3.87 0.00 -0.94 -2.27 119.26 122.52 1wek h ALA 209 Ca 0.13 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 1wek h ALA 209 Cb 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1wek h ALA 209 CO -0.01 0.36 -1.04 -0.07 0.00 0.00 0.00 179.25 178.49 1wek h LEU 210 N 0.63 0.51 -3.27 0.00 3.38 -1.00 -3.28 115.31 112.28 1wek h LEU 210 Ca 0.16 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1wek h LEU 210 Cb 0.03 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1wek h LEU 210 CO -0.03 1.27 0.00 1.17 0.09 0.00 0.00 178.44 180.95 1wek n LYS 211 N -3.69 0.35 0.00 1.13 4.81 -0.01 -5.11 118.16 115.64 1wek n LYS 211 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1wek n LYS 211 Cb 0.89 -1.32 0.00 0.00 0.02 0.00 0.00 35.03 34.62 1wek n LYS 211 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57