#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aee s THR 2 N 0.00 3.41 0.25 2.03 -1.32 -1.26 -4.75 115.64 114.00 2aee s THR 2 Ca 0.00 0.47 -0.03 0.00 -1.21 0.00 0.00 61.69 60.93 2aee s THR 2 Cb 0.00 -2.99 0.23 0.00 -1.51 0.00 0.00 72.50 68.24 2aee s THR 2 CO 0.00 -0.58 1.72 0.25 -2.21 0.00 0.00 174.62 173.80 2aee h LEU 3 N -0.99 0.29 -0.64 9.08 5.85 -1.99 0.32 115.31 127.22 2aee h LEU 3 Ca -0.44 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.41 2aee h LEU 3 Cb 1.23 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.32 2aee h LEU 3 CO 0.52 0.09 0.42 0.00 -0.34 0.00 0.00 178.44 179.12 2aee h ALA 4 N 1.58 0.81 -0.15 1.25 0.00 -1.93 0.77 119.26 121.60 2aee h ALA 4 Ca 0.44 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.14 2aee h ALA 4 Cb 0.71 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2aee h ALA 4 CO -0.43 0.22 -0.65 0.77 0.00 0.00 0.00 179.25 179.16 2aee h SER 5 N 0.84 0.63 -0.03 0.00 0.02 -1.62 -1.44 113.55 111.96 2aee h SER 5 Ca 0.24 -0.38 0.03 0.00 -0.84 0.00 0.00 61.79 60.84 2aee h SER 5 Cb -0.08 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 2aee h SER 5 CO -0.06 1.12 -0.15 1.56 -1.14 0.00 0.00 176.83 178.15 2aee h GLN 6 N 0.40 -0.23 -0.27 3.45 4.20 -0.64 -0.10 115.11 121.93 2aee h GLN 6 Ca -0.01 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.76 2aee h GLN 6 Cb 1.22 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 29.01 2aee h GLN 6 CO 0.12 -0.15 -0.02 0.82 -0.67 0.00 0.00 178.83 178.93 2aee h ILE 7 N -0.24 0.79 -0.45 2.54 2.04 -0.80 -2.06 117.51 119.34 2aee h ILE 7 Ca 0.06 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 2aee h ILE 7 Cb 0.32 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 2aee h ILE 7 CO -0.17 0.01 0.26 0.00 0.00 0.00 0.00 178.15 178.26 2aee h ALA 8 N 1.24 0.57 -0.58 1.87 0.00 -1.06 0.11 119.26 121.40 2aee h ALA 8 Ca 0.13 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.09 2aee h ALA 8 Cb 0.17 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 17.69 2aee h ALA 8 CO -0.23 0.07 0.06 1.15 0.00 0.00 0.00 179.25 180.30 2aee h THR 9 N 0.59 0.58 -0.09 0.00 2.02 -0.80 -1.96 112.91 113.26 2aee h THR 9 Ca 0.16 -0.06 -0.15 0.00 0.77 0.00 0.00 66.41 67.12 2aee h THR 9 Cb 0.01 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 2aee h THR 9 CO -0.03 0.03 -0.61 1.56 0.37 0.00 0.00 175.52 176.85 2aee h GLN 10 N 0.18 0.31 -0.65 6.66 4.20 -0.48 -2.06 115.11 123.26 2aee h GLN 10 Ca 0.30 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2aee h GLN 10 Cb 0.47 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 2aee h GLN 10 CO -0.45 0.82 0.42 -0.07 -0.67 0.00 0.00 178.83 178.88 2aee h LEU 11 N 0.23 0.76 -0.31 1.46 3.38 -0.54 -1.02 115.31 119.28 2aee h LEU 11 Ca -0.01 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 2aee h LEU 11 Cb 1.12 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2aee h LEU 11 CO 0.10 0.57 -0.05 -0.07 0.09 0.00 0.00 178.44 179.08 2aee h LEU 12 N 0.88 0.58 -0.69 1.67 3.38 -1.32 0.42 115.31 120.23 2aee h LEU 12 Ca 0.24 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2aee h LEU 12 Cb -0.07 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2aee h LEU 12 CO -0.05 0.79 0.38 -0.78 0.09 0.00 0.00 178.44 178.88 2aee h ASP 13 N 0.36 0.86 -0.20 -0.43 3.58 -1.03 -2.33 116.42 117.23 2aee h ASP 13 Ca 0.08 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2aee h ASP 13 Cb 0.53 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2aee h ASP 13 CO 0.03 0.71 0.00 2.30 -2.88 0.00 0.00 179.24 179.39 2aee n ILE 14 N -4.50 0.25 -3.33 2.25 -5.35 -0.42 -4.91 119.36 103.35 2aee n ILE 14 Ca 0.06 -0.42 -0.18 0.00 -0.27 0.00 0.00 62.75 61.94 2aee n ILE 14 Cb 0.09 0.49 0.07 0.00 -1.74 0.00 0.00 39.64 38.55 2aee n ILE 14 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2aee n LYS 15 N 0.54 -6.23 0.18 6.28 5.02 -0.83 -4.89 118.16 118.23 2aee n LYS 15 Ca 0.17 0.68 0.13 0.00 -2.02 0.00 0.00 58.31 57.27 2aee n LYS 15 Cb 0.38 -5.27 0.28 0.00 -0.02 0.00 0.00 35.03 30.41 2aee n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2aee h ALA 16 N 0.81 1.00 -3.62 7.82 0.00 -0.44 -3.45 119.26 121.38 2aee h ALA 16 Ca -0.47 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.03 2aee h ALA 16 Cb 1.30 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.76 2aee h ALA 16 CO 0.44 0.00 -0.77 0.08 0.00 0.00 0.00 179.25 179.00 2aee s VAL 17 N -3.19 0.60 -0.09 0.00 1.01 -1.13 0.48 120.40 118.08 2aee s VAL 17 Ca 0.08 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.89 2aee s VAL 17 Cb 0.08 -0.58 -0.00 0.00 0.00 0.00 0.00 36.38 35.88 2aee s VAL 17 CO 0.63 0.22 -0.23 -0.31 0.00 0.00 0.00 175.10 175.41 2aee s TYR 18 N 0.56 2.39 -0.19 5.22 1.51 0.22 -4.65 117.35 122.41 2aee s TYR 18 Ca -0.08 -0.92 -0.01 0.00 -1.01 0.00 0.00 57.07 55.05 2aee s TYR 18 Cb -0.11 -1.60 0.00 0.00 -0.11 0.00 0.00 41.96 40.14 2aee s TYR 18 CO 0.00 -0.36 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.45 2aee s LEU 19 N 0.27 2.52 -0.41 -1.29 1.43 -1.26 -1.18 118.68 118.77 2aee s LEU 19 Ca -0.15 -0.49 0.10 0.00 -1.03 0.00 0.00 54.13 52.56 2aee s LEU 19 Cb -0.17 -1.60 0.33 0.00 0.03 0.00 0.00 46.19 44.78 2aee s LEU 19 CO 0.07 0.02 0.74 0.29 0.23 0.00 0.00 176.35 177.70 2aee n LYS 20 N 4.49 1.31 0.25 1.70 4.76 0.69 -4.95 118.16 126.41 2aee n LYS 20 Ca -0.19 -3.61 0.10 0.00 -2.87 0.00 0.00 58.31 51.74 2aee n LYS 20 Cb 0.51 -1.74 0.68 0.00 -1.84 0.00 0.00 35.03 32.64 2aee n LYS 20 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2aee h PRO 21 N 3.15 0.00 -0.02 1.97 0.13 -1.88 -1.96 132.00 133.39 2aee h PRO 21 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2aee h PRO 21 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2aee h PRO 21 CO 0.55 0.00 -0.09 -1.91 -0.23 0.00 0.00 178.00 176.32 2aee n GLU 22 N -4.42 1.54 -2.93 0.86 4.07 -1.26 -4.40 120.64 114.11 2aee n GLU 22 Ca -0.02 -1.01 -0.14 0.00 -0.06 0.00 0.00 57.16 55.93 2aee n GLU 22 Cb 0.12 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 30.03 2aee n GLU 22 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2aee n ASP 23 N 0.15 -1.66 -4.74 4.31 2.03 -0.76 -5.16 116.55 110.72 2aee n ASP 23 Ca 0.16 -3.07 -0.33 0.00 0.52 0.00 0.00 54.79 52.06 2aee n ASP 23 Cb 0.40 0.85 0.09 0.00 -0.72 0.00 0.00 41.12 41.74 2aee n ASP 23 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2aee s PRO 24 N -0.08 2.24 0.77 -0.67 0.04 -1.04 -4.81 135.00 131.45 2aee s PRO 24 Ca 0.33 1.54 -0.11 0.00 0.04 0.00 0.00 61.00 62.80 2aee s PRO 24 Cb 0.21 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.93 2aee s PRO 24 CO -0.19 -1.72 1.08 -0.06 0.04 0.00 0.00 177.00 176.16 2aee s PHE 25 N -2.29 2.88 -0.06 0.56 0.08 0.24 -4.78 117.98 114.61 2aee s PHE 25 Ca 0.69 1.27 0.04 0.00 0.12 0.00 0.00 56.93 59.06 2aee s PHE 25 Cb -0.24 -3.04 -0.02 0.00 -0.57 0.00 0.00 43.02 39.16 2aee s PHE 25 CO 0.47 -1.63 -0.20 0.99 -0.10 0.00 0.00 175.22 174.75 2aee s THR 26 N -3.09 2.51 0.31 0.64 2.01 -1.26 -0.13 115.64 116.63 2aee s THR 26 Ca 0.60 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.72 2aee s THR 26 Cb -0.15 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 2aee s THR 26 CO 0.55 0.57 0.48 0.26 -0.69 0.00 0.00 174.62 175.79 2aee s TRP 27 N -0.27 3.48 0.30 4.92 0.51 0.93 -4.94 118.94 123.87 2aee s TRP 27 Ca 0.00 0.22 0.05 0.00 -2.12 0.00 0.00 56.10 54.26 2aee s TRP 27 Cb -0.13 -1.78 0.78 0.00 -0.81 0.00 0.00 33.47 31.53 2aee s TRP 27 CO 0.03 0.23 1.66 0.00 -0.51 0.00 0.00 176.95 178.36 2aee h ALA 28 N 0.90 1.43 0.00 0.98 0.00 -2.01 0.19 119.26 120.75 2aee h ALA 28 Ca -0.50 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2aee h ALA 28 Cb 1.22 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 2aee h ALA 28 CO 0.61 -0.45 -0.01 0.66 0.00 0.00 0.00 179.25 180.06 2aee h SER 29 N 0.28 0.00 0.00 0.00 4.64 -2.05 -3.45 113.55 112.97 2aee h SER 29 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 2aee h SER 29 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2aee h SER 29 CO -0.61 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 175.97 2aee n GLY 30 N -1.11 0.55 3.76 -0.77 0.00 0.65 -5.08 105.19 103.18 2aee n GLY 30 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2aee n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aee s ILE 31 N -2.00 2.54 -0.10 -0.61 1.01 -1.26 -4.71 121.20 116.07 2aee s ILE 31 Ca 0.00 0.48 -0.22 0.00 0.00 0.00 0.00 60.65 60.91 2aee s ILE 31 Cb 0.00 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 2aee s ILE 31 CO 0.00 0.09 0.63 -0.54 0.00 0.00 0.00 174.94 175.12 2aee s LYS 32 N -0.91 4.37 -0.09 2.79 -0.14 -1.26 -0.05 119.74 124.45 2aee s LYS 32 Ca 0.57 0.72 0.04 0.00 -1.36 0.00 0.00 55.97 55.93 2aee s LYS 32 Cb -0.43 -3.46 -0.00 0.00 -1.68 0.00 0.00 37.83 32.26 2aee s LYS 32 CO 0.48 0.04 -0.22 0.45 -0.76 0.00 0.00 175.35 175.34 2aee s SER 33 N 0.81 3.24 0.00 2.83 0.15 0.82 -4.93 113.70 116.61 2aee s SER 33 Ca 0.33 -0.51 0.27 0.00 0.70 0.00 0.00 55.95 56.74 2aee s SER 33 Cb -0.17 -1.31 1.62 0.00 -1.71 0.00 0.00 66.02 64.46 2aee s SER 33 CO 0.15 0.18 1.98 -0.81 1.20 0.00 0.00 173.24 175.94 2aee n PRO 34 N 3.37 0.83 -4.50 5.44 -0.04 -1.26 0.83 135.00 139.67 2aee n PRO 34 Ca -0.19 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.05 2aee n PRO 34 Cb 0.53 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.33 2aee n PRO 34 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2aee s ILE 35 N -2.04 0.97 -0.04 0.52 2.07 -1.26 -0.22 121.20 121.20 2aee s ILE 35 Ca 0.40 -0.43 0.06 0.00 -1.41 0.00 0.00 60.65 59.27 2aee s ILE 35 Cb 0.19 -0.88 -0.01 0.00 0.13 0.00 0.00 42.46 41.89 2aee s ILE 35 CO 0.32 0.31 -0.22 -0.47 -1.91 0.00 0.00 174.94 172.97 2aee s TYR 36 N 0.40 2.09 -0.07 3.50 5.04 -0.32 -4.87 117.35 123.12 2aee s TYR 36 Ca -0.08 -0.56 0.03 0.00 -2.44 0.00 0.00 57.07 54.03 2aee s TYR 36 Cb -0.12 -1.38 0.01 0.00 0.35 0.00 0.00 41.96 40.82 2aee s TYR 36 CO 0.02 -0.15 -0.17 0.99 -1.34 0.00 0.00 175.55 174.89 2aee s THR 37 N -0.19 1.52 -0.45 4.34 2.01 -1.26 -0.61 115.64 121.00 2aee s THR 37 Ca -0.00 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.30 2aee s THR 37 Cb -0.12 -1.34 0.15 0.00 0.01 0.00 0.00 72.50 71.20 2aee s THR 37 CO 0.02 0.44 0.28 -0.62 -0.69 0.00 0.00 174.62 174.05 2aee s ASP 38 N 0.42 3.21 0.00 3.53 2.15 0.18 -4.98 116.67 121.18 2aee s ASP 38 Ca -0.14 -2.77 0.22 0.00 0.43 0.00 0.00 52.55 50.30 2aee s ASP 38 Cb -0.16 -0.86 1.17 0.00 -0.30 0.00 0.00 42.92 42.77 2aee s ASP 38 CO 0.05 -0.23 1.72 0.59 -0.17 0.00 0.00 175.17 177.13 2aee n ASN 39 N 3.32 0.00 0.25 -0.34 3.02 -1.26 -2.67 115.26 117.58 2aee n ASN 39 Ca 0.15 -0.16 0.10 0.00 -0.03 0.00 0.00 54.58 54.63 2aee n ASN 39 Cb 0.38 -0.23 0.67 0.00 -0.61 0.00 0.00 39.78 39.98 2aee n ASN 39 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2aee h ARG 40 N 0.00 0.00 0.00 3.52 3.08 -1.93 -2.45 114.38 116.60 2aee h ARG 40 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2aee h ARG 40 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 2aee h ARG 40 CO 0.00 0.10 -0.08 -0.39 -1.07 0.00 0.00 179.97 178.53 2aee h VAL 41 N 0.00 0.22 -0.39 2.04 -1.51 -1.90 -1.85 116.25 112.86 2aee h VAL 41 Ca -0.00 -0.69 0.11 0.00 -1.23 0.00 0.00 66.70 64.89 2aee h VAL 41 Cb 0.22 1.57 -0.02 0.00 -2.13 0.00 0.00 31.29 30.93 2aee h VAL 41 CO 0.01 0.08 0.35 0.71 -1.23 0.00 0.00 177.57 177.49 2aee h THR 42 N 0.00 0.54 0.00 7.19 1.35 -1.67 -2.11 112.91 118.21 2aee h THR 42 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 2aee h THR 42 Cb 0.56 0.74 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 2aee h THR 42 CO 0.01 0.00 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.18 2aee h LEU 43 N 0.00 0.00 -1.33 3.87 3.38 -1.50 -2.45 115.31 117.28 2aee h LEU 43 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2aee h LEU 43 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2aee h LEU 43 CO -0.00 0.03 -0.15 -1.20 0.09 0.00 0.00 178.44 177.21 2aee n SER 44 N -3.22 2.22 -3.92 -0.43 7.64 -0.79 -4.64 113.62 110.48 2aee n SER 44 Ca -0.01 -1.65 -0.30 0.00 1.01 0.00 0.00 58.87 57.92 2aee n SER 44 Cb 0.20 0.13 -0.14 0.00 -1.01 0.00 0.00 64.21 63.39 2aee n SER 44 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2aee s TYR 45 N -2.17 3.06 0.37 1.43 1.51 -0.92 -5.01 117.35 115.60 2aee s TYR 45 Ca 0.27 -3.08 0.15 0.00 -1.01 0.00 0.00 57.07 53.41 2aee s TYR 45 Cb 0.20 -2.71 1.01 0.00 -0.11 0.00 0.00 41.96 40.35 2aee s TYR 45 CO 0.40 -0.75 1.75 -1.35 -1.11 0.00 0.00 175.55 174.49 2aee h PRO 46 N 6.58 0.46 -0.29 -1.71 0.11 -1.82 0.26 132.00 135.59 2aee h PRO 46 Ca -0.07 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 2aee h PRO 46 Cb 0.90 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 2aee h PRO 46 CO 0.66 0.31 0.18 -0.22 -0.21 0.00 0.00 178.00 178.71 2aee h LYS 47 N 0.48 0.39 -0.14 1.05 3.64 -1.95 0.32 116.57 120.36 2aee h LYS 47 Ca 0.61 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.80 2aee h LYS 47 Cb 1.39 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 33.13 2aee h LYS 47 CO -0.37 0.30 -0.55 1.15 -2.27 0.00 0.00 179.45 177.72 2aee h THR 48 N 0.37 1.33 -0.41 1.00 2.02 -1.26 -2.61 112.91 113.36 2aee h THR 48 Ca 0.10 -1.82 -0.01 0.00 0.77 0.00 0.00 66.41 65.45 2aee h THR 48 Cb 0.00 2.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 2aee h THR 48 CO -0.02 0.56 0.20 -0.09 0.37 0.00 0.00 175.52 176.54 2aee h ARG 49 N 0.27 0.59 -0.47 6.66 2.43 -0.50 -1.95 114.38 121.41 2aee h ARG 49 Ca -0.03 -0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.12 2aee h ARG 49 Cb 1.18 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.56 2aee h ARG 49 CO 0.11 0.51 0.16 -0.44 -1.51 0.00 0.00 179.97 178.80 2aee h ASP 50 N 0.53 0.16 -0.47 -3.80 3.32 -0.31 0.46 116.42 116.30 2aee h ASP 50 Ca 0.14 0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.31 2aee h ASP 50 Cb 0.11 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 2aee h ASP 50 CO -0.02 0.12 0.17 0.25 -1.72 0.00 0.00 179.24 178.04 2aee h LEU 51 N 0.33 0.18 0.02 1.55 5.85 -1.25 0.01 115.31 122.00 2aee h LEU 51 Ca 0.22 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 2aee h LEU 51 Cb 0.24 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2aee h LEU 51 CO -0.24 0.13 -0.01 0.40 -0.34 0.00 0.00 178.44 178.39 2aee h ILE 52 N 0.35 1.15 -0.60 4.05 2.04 -0.84 -1.60 117.51 122.05 2aee h ILE 52 Ca 0.22 -0.52 -0.08 0.00 1.00 0.00 0.00 64.86 65.49 2aee h ILE 52 Cb 0.23 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2aee h ILE 52 CO -0.23 0.13 0.06 -0.33 0.00 0.00 0.00 178.15 177.78 2aee h GLU 53 N -0.25 1.03 -0.61 2.37 4.39 -0.76 -0.04 114.58 120.71 2aee h GLU 53 Ca -0.00 -0.30 -0.04 0.00 0.34 0.00 0.00 59.36 59.36 2aee h GLU 53 Cb 0.23 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 2aee h GLU 53 CO 0.00 0.99 0.24 -0.91 -1.16 0.00 0.00 179.01 178.17 2aee h ASN 54 N 0.93 0.82 -0.01 1.42 2.35 -1.05 -1.67 115.58 118.37 2aee h ASN 54 Ca 0.18 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2aee h ASN 54 Cb 0.49 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 2aee h ASN 54 CO 0.02 0.74 -0.02 1.23 -1.65 0.00 0.00 177.43 177.74 2aee h GLY 55 N 0.99 -0.02 0.36 2.83 0.00 -0.83 -1.17 103.07 105.24 2aee h GLY 55 Ca 0.21 0.03 0.08 0.00 0.00 0.00 0.00 47.33 47.65 2aee h GLY 55 CO -0.02 -0.03 0.05 0.74 0.00 0.00 0.00 176.54 177.29 2aee h PHE 56 N -0.04 0.08 -0.15 5.60 0.04 -0.83 -2.30 116.94 119.33 2aee h PHE 56 Ca 0.01 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.82 2aee h PHE 56 Cb 0.06 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 2aee h PHE 56 CO -0.10 -0.04 0.08 0.28 -0.60 0.00 0.00 178.31 177.93 2aee h VAL 57 N 0.18 1.02 -0.67 -0.55 2.07 -1.09 -1.03 116.25 116.17 2aee h VAL 57 Ca 0.22 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.72 2aee h VAL 57 Cb 0.31 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2aee h VAL 57 CO -0.32 0.03 0.40 -0.33 0.02 0.00 0.00 177.57 177.37 2aee h GLU 58 N 0.18 0.76 -0.01 1.57 4.39 -1.12 0.17 114.58 120.52 2aee h GLU 58 Ca 0.06 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.55 2aee h GLU 58 Cb -0.00 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 2aee h GLU 58 CO -0.03 0.50 -0.73 0.00 -1.16 0.00 0.00 179.01 177.59 2aee h THR 59 N 0.78 1.48 -0.04 1.13 1.03 -1.21 -1.34 112.91 114.75 2aee h THR 59 Ca 0.27 -2.40 -0.02 0.00 -0.01 0.00 0.00 66.41 64.26 2aee h THR 59 Cb 0.06 2.30 -0.00 0.00 -1.07 0.00 0.00 68.15 69.43 2aee h THR 59 CO -0.12 0.69 -0.04 0.40 -0.01 0.00 0.00 175.52 176.44 2aee h ILE 60 N 0.06 1.38 -0.94 0.00 2.04 -0.97 0.26 117.51 119.35 2aee h ILE 60 Ca -0.02 -1.18 0.12 0.00 1.00 0.00 0.00 64.86 64.79 2aee h ILE 60 Cb 1.29 2.08 -0.08 0.00 -0.74 0.00 0.00 36.82 39.38 2aee h ILE 60 CO 0.10 0.32 0.60 0.11 0.00 0.00 0.00 178.15 179.28 2aee h LYS 61 N -0.36 0.83 0.04 2.37 1.57 -0.60 0.24 116.57 120.67 2aee h LYS 61 Ca 0.01 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2aee h LYS 61 Cb 0.53 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2aee h LYS 61 CO 0.01 0.55 -0.02 0.00 -0.57 0.00 0.00 179.45 179.42 2aee h ALA 62 N 1.57 -0.06 0.00 3.86 0.00 -1.22 -3.37 119.26 120.03 2aee h ALA 62 Ca 0.46 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 2aee h ALA 62 Cb 0.56 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2aee h ALA 62 CO -0.22 -0.09 -1.01 0.45 0.00 0.00 0.00 179.25 178.38 2aee h HIS 63 N -0.95 0.00 -2.12 0.00 3.86 -0.81 -3.38 115.15 111.75 2aee h HIS 63 Ca -0.01 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 2aee h HIS 63 Cb 0.58 0.00 -0.41 0.00 1.06 0.00 0.00 27.41 28.64 2aee h HIS 63 CO 0.15 0.77 -0.84 1.19 0.86 0.00 0.00 177.93 180.05 2aee n PHE 64 N -3.19 2.68 0.30 2.45 3.72 0.85 -4.91 117.46 119.36 2aee n PHE 64 Ca -0.03 -3.86 0.18 0.00 -0.05 0.00 0.00 57.45 53.69 2aee n PHE 64 Cb 0.87 -0.44 0.94 0.00 -0.94 0.00 0.00 39.48 39.91 2aee n PHE 64 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2aee h PRO 65 N 2.97 0.00 -0.16 -1.08 0.13 -1.72 -2.26 132.00 129.88 2aee h PRO 65 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2aee h PRO 65 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2aee h PRO 65 CO 0.71 0.03 0.00 0.39 -0.23 0.00 0.00 178.00 178.90 2aee n GLU 66 N -3.35 1.50 -1.72 0.86 1.02 -1.26 -4.95 120.64 112.73 2aee n GLU 66 Ca -0.02 -0.76 -0.43 0.00 -0.02 0.00 0.00 57.16 55.94 2aee n GLU 66 Cb 0.16 -1.28 -0.02 0.00 -0.02 0.00 0.00 31.44 30.28 2aee n GLU 66 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2aee n VAL 67 N 0.03 0.82 0.13 2.62 3.14 -0.85 -4.79 118.33 119.43 2aee n VAL 67 Ca 0.12 -0.21 0.02 0.00 -2.96 0.00 0.00 64.34 61.32 2aee n VAL 67 Cb 0.22 -1.86 -0.03 0.00 -1.06 0.00 0.00 33.84 31.11 2aee n VAL 67 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2aee n GLU 68 N 2.44 3.04 -3.72 1.45 1.02 0.15 -5.00 120.64 120.02 2aee n GLU 68 Ca 0.11 -0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 57.10 2aee n GLU 68 Cb 0.35 -0.91 -0.10 0.00 -0.02 0.00 0.00 31.44 30.76 2aee n GLU 68 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2aee s VAL 69 N -1.86 -0.01 -0.22 2.62 0.11 -0.32 -3.97 120.40 116.75 2aee s VAL 69 Ca 0.00 0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 58.96 2aee s VAL 69 Cb 0.04 -0.58 -0.05 0.00 -1.53 0.00 0.00 36.38 34.26 2aee s VAL 69 CO 0.21 0.01 0.24 -0.63 -3.33 0.00 0.00 175.10 171.59 2aee s ILE 70 N 0.55 5.31 -0.10 7.04 -1.09 -0.39 -1.94 121.20 130.59 2aee s ILE 70 Ca -0.03 0.36 0.04 0.00 -2.23 0.00 0.00 60.65 58.79 2aee s ILE 70 Cb -0.04 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 2aee s ILE 70 CO -0.03 0.33 -0.22 0.00 -1.23 0.00 0.00 174.94 173.79 2aee s ALA 71 N 1.02 2.01 -0.00 9.38 0.00 -0.31 -0.86 121.76 132.99 2aee s ALA 71 Ca 0.12 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 51.07 2aee s ALA 71 Cb -0.14 -0.78 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 2aee s ALA 71 CO 0.05 0.23 0.36 0.20 0.00 0.00 0.00 175.76 176.60 2aee s GLY 72 N 0.44 2.40 -0.03 0.00 0.00 -0.75 -0.27 107.32 109.12 2aee s GLY 72 Ca -0.17 -0.32 -0.30 0.00 0.00 0.00 0.00 44.72 43.93 2aee s GLY 72 CO 0.07 -0.00 1.32 -1.59 0.00 0.00 0.00 173.10 172.90 2aee s THR 73 N -1.13 3.94 0.26 0.90 2.01 -0.49 -1.44 115.64 119.69 2aee s THR 73 Ca 0.24 1.30 -0.30 0.00 0.31 0.00 0.00 61.69 63.24 2aee s THR 73 Cb -0.15 -3.83 -0.11 0.00 0.01 0.00 0.00 72.50 68.41 2aee s THR 73 CO 0.13 -0.01 1.52 0.00 -0.69 0.00 0.00 174.62 175.57 2aee s ALA 74 N 2.36 3.70 -0.17 7.40 0.00 -0.56 -1.29 121.76 133.20 2aee s ALA 74 Ca 0.60 1.44 0.11 0.00 0.00 0.00 0.00 51.96 54.11 2aee s ALA 74 Cb -0.28 -3.60 -0.18 0.00 0.00 0.00 0.00 23.12 19.05 2aee s ALA 74 CO 0.24 -0.85 -0.01 2.41 0.00 0.00 0.00 175.76 177.55 2aee n THR 75 N 2.40 1.10 0.24 0.00 -1.04 -1.26 -4.65 114.28 111.08 2aee n THR 75 Ca 0.08 -0.61 0.07 0.00 -2.04 0.00 0.00 64.05 61.55 2aee n THR 75 Cb 0.39 -0.75 0.59 0.00 -1.82 0.00 0.00 70.33 68.74 2aee n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2aee h ALA 76 N 0.57 1.76 0.00 2.41 0.00 -1.99 -1.69 119.26 120.32 2aee h ALA 76 Ca -0.43 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2aee h ALA 76 Cb 1.90 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2aee h ALA 76 CO -0.00 0.13 -0.03 0.41 0.00 0.00 0.00 179.25 179.75 2aee n GLY 77 N -1.20 -1.67 0.07 0.00 0.00 -0.41 -4.20 105.19 97.79 2aee n GLY 77 Ca -0.03 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 2aee n GLY 77 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2aee h ILE 78 N 0.00 1.04 -0.58 -0.61 2.04 -1.06 -1.90 117.51 116.44 2aee h ILE 78 Ca 0.00 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 2aee h ILE 78 Cb 0.71 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 2aee h ILE 78 CO 0.00 0.03 0.11 -0.65 0.00 0.00 0.00 178.15 177.64 2aee h PRO 79 N 0.12 0.93 -0.21 2.37 0.11 -1.74 0.13 132.00 133.71 2aee h PRO 79 Ca 0.04 -0.22 -0.03 0.00 0.11 0.00 0.00 66.00 65.90 2aee h PRO 79 Cb 0.00 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 2aee h PRO 79 CO -0.01 0.85 0.03 0.45 -0.21 0.00 0.00 178.00 179.11 2aee h HIS 80 N 0.88 0.37 -0.57 0.65 3.86 -1.79 -2.55 115.15 116.01 2aee h HIS 80 Ca 0.18 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.30 2aee h HIS 80 Cb 0.37 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 2aee h HIS 80 CO 0.02 0.50 0.18 0.78 0.86 0.00 0.00 177.93 180.28 2aee h GLY 81 N 0.14 0.91 0.99 2.45 0.00 -1.08 -1.32 103.07 105.15 2aee h GLY 81 Ca 0.06 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 2aee h GLY 81 CO 0.01 0.46 0.09 0.00 0.00 0.00 0.00 176.54 177.10 2aee h ALA 82 N 1.37 0.68 -0.38 3.60 0.00 -0.88 -0.26 119.26 123.40 2aee h ALA 82 Ca 0.19 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2aee h ALA 82 Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2aee h ALA 82 CO -0.01 0.41 -0.01 0.82 0.00 0.00 0.00 179.25 180.47 2aee h ILE 83 N 0.73 1.26 -0.32 0.00 2.04 -1.05 -1.59 117.51 118.58 2aee h ILE 83 Ca 0.16 -1.01 0.07 0.00 1.00 0.00 0.00 64.86 65.07 2aee h ILE 83 Cb 0.39 1.16 -0.07 0.00 -0.74 0.00 0.00 36.82 37.56 2aee h ILE 83 CO 0.01 0.34 -0.13 0.40 0.00 0.00 0.00 178.15 178.77 2aee h ILE 84 N 0.50 0.58 -0.68 -0.67 2.04 -1.16 -0.31 117.51 117.81 2aee h ILE 84 Ca 0.11 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.98 2aee h ILE 84 Cb 0.48 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 2aee h ILE 84 CO 0.02 0.00 0.45 0.00 0.00 0.00 0.00 178.15 178.62 2aee h ALA 85 N 1.21 0.88 -0.39 1.87 0.00 -0.87 -1.97 119.26 119.99 2aee h ALA 85 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2aee h ALA 85 Cb 0.31 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2aee h ALA 85 CO -0.37 0.26 0.25 0.22 0.00 0.00 0.00 179.25 179.62 2aee h ASP 86 N 0.90 0.45 -0.51 0.00 3.58 -0.90 -0.63 116.42 119.30 2aee h ASP 86 Ca 0.26 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.66 2aee h ASP 86 Cb -0.06 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 40.85 2aee h ASP 86 CO -0.07 0.33 0.22 0.11 -2.88 0.00 0.00 179.24 176.94 2aee h LYS 87 N 0.52 0.80 -0.07 0.28 1.57 -0.68 -2.74 116.57 116.25 2aee h LYS 87 Ca 0.14 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2aee h LYS 87 Cb -0.05 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.12 2aee h LYS 87 CO -0.03 0.66 0.00 -1.33 -0.57 0.00 0.00 179.45 178.18 2aee n MET 88 N -4.33 1.96 -4.02 3.15 2.81 -0.77 -4.96 117.12 110.97 2aee n MET 88 Ca 0.05 -1.40 -0.27 0.00 -1.81 0.00 0.00 57.70 54.26 2aee n MET 88 Cb 0.17 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 31.18 2aee n MET 88 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2aee n THR 89 N 0.68 -2.65 -4.31 2.03 -1.04 -0.47 -4.99 114.28 103.54 2aee n THR 89 Ca 0.17 -0.45 -0.27 0.00 -2.04 0.00 0.00 64.05 61.46 2aee n THR 89 Cb 0.45 -2.39 -0.10 0.00 -1.82 0.00 0.00 70.33 66.47 2aee n THR 89 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2aee s LEU 90 N -7.04 2.87 0.26 -4.42 1.43 -0.37 -5.04 118.68 106.37 2aee s LEU 90 Ca 0.08 -0.61 -0.29 0.00 -1.03 0.00 0.00 54.13 52.27 2aee s LEU 90 Cb -0.04 -1.58 -0.15 0.00 0.03 0.00 0.00 46.19 44.45 2aee s LEU 90 CO 0.90 0.11 0.99 -2.65 0.23 0.00 0.00 176.35 175.94 2aee n PRO 91 N 0.16 1.21 -4.61 1.29 -0.02 -1.25 -4.58 135.00 127.20 2aee n PRO 91 Ca -0.11 0.43 -0.31 0.00 -2.02 0.00 0.00 63.50 61.48 2aee n PRO 91 Cb 0.55 -1.79 -0.12 0.00 -0.02 0.00 0.00 33.50 32.12 2aee n PRO 91 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2aee s PHE 92 N -0.91 2.60 0.22 6.00 5.36 -1.26 -1.26 117.98 128.74 2aee s PHE 92 Ca 0.61 -0.23 -0.03 0.00 -0.96 0.00 0.00 56.93 56.32 2aee s PHE 92 Cb -0.74 -1.48 -0.03 0.00 -0.34 0.00 0.00 43.02 40.43 2aee s PHE 92 CO 0.58 0.28 0.23 0.00 -1.46 0.00 0.00 175.22 174.85 2aee s ALA 93 N -0.95 0.87 0.08 11.12 0.00 -0.04 -4.64 121.76 128.20 2aee s ALA 93 Ca 0.15 -1.53 -0.00 0.00 0.00 0.00 0.00 51.96 50.59 2aee s ALA 93 Cb -0.11 1.31 -0.04 0.00 0.00 0.00 0.00 23.12 24.29 2aee s ALA 93 CO 0.06 -0.66 -0.02 1.52 0.00 0.00 0.00 175.76 176.65 2aee s TYR 94 N -4.04 0.72 -0.21 0.00 -0.85 -0.69 -1.80 117.35 110.48 2aee s TYR 94 Ca 0.35 -1.05 0.02 0.00 -0.52 0.00 0.00 57.07 55.86 2aee s TYR 94 Cb 0.05 -0.46 0.03 0.00 0.38 0.00 0.00 41.96 41.96 2aee s TYR 94 CO 0.13 -0.33 -0.17 0.42 -1.52 0.00 0.00 175.55 174.08 2aee s ILE 95 N -3.84 2.13 0.66 -3.49 1.01 -0.52 -0.02 121.20 117.12 2aee s ILE 95 Ca 0.12 -1.16 -0.17 0.00 0.00 0.00 0.00 60.65 59.44 2aee s ILE 95 Cb 0.07 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 2aee s ILE 95 CO -0.06 0.35 1.10 0.54 0.00 0.00 0.00 174.94 176.87 2aee n ARG 96 N 4.56 0.84 0.08 2.79 1.74 0.48 -1.50 116.66 125.65 2aee n ARG 96 Ca -0.19 0.34 -0.07 0.00 -0.77 0.00 0.00 57.85 57.16 2aee n ARG 96 Cb 0.47 -2.33 0.05 0.00 -1.02 0.00 0.00 32.46 29.64 2aee n ARG 96 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2aee h SER 97 N 0.24 0.28 -4.76 0.55 4.64 -1.90 -3.46 113.55 109.15 2aee h SER 97 Ca -0.49 -0.20 -0.20 0.00 -0.47 0.00 0.00 61.79 60.43 2aee h SER 97 Cb 1.35 -0.08 -0.15 0.00 -0.31 0.00 0.00 62.40 63.20 2aee h SER 97 CO 0.50 0.93 -0.69 -1.59 -0.87 0.00 0.00 176.83 175.11 2aee s LYS 98 N -3.49 0.80 0.78 4.77 -2.85 -1.26 -4.98 119.74 113.51 2aee s LYS 98 Ca -0.04 -1.32 -0.15 0.00 -1.00 0.00 0.00 55.97 53.45 2aee s LYS 98 Cb 0.11 -0.11 -0.03 0.00 -2.06 0.00 0.00 37.83 35.74 2aee s LYS 98 CO 0.82 -0.05 0.41 -2.30 0.10 0.00 0.00 175.35 174.32 2aee n PRO 99 N -0.02 0.14 -1.24 1.78 -0.02 -1.26 -4.86 135.00 129.51 2aee n PRO 99 Ca -0.12 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2aee n PRO 99 Cb 0.61 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 2aee n PRO 99 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2aee n ASN 106 N -0.23 -1.99 0.04 2.55 2.04 -1.26 -5.16 115.26 111.25 2aee n ASN 106 Ca 0.09 0.14 0.06 0.00 -0.44 0.00 0.00 54.58 54.43 2aee n ASN 106 Cb 0.51 -0.46 -0.07 0.00 -2.53 0.00 0.00 39.78 37.22 2aee n ASN 106 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2aee n GLN 107 N 0.84 0.63 -2.79 -3.83 6.02 -1.26 -4.87 117.38 112.12 2aee n GLN 107 Ca 0.00 0.09 -0.42 0.00 -0.01 0.00 0.00 57.00 56.66 2aee n GLN 107 Cb 0.13 -1.74 -0.03 0.00 1.02 0.00 0.00 30.24 29.61 2aee n GLN 107 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2aee s ILE 108 N -3.18 4.86 -0.12 5.09 1.01 -1.26 -0.39 121.20 127.21 2aee s ILE 108 Ca -0.03 1.87 -0.05 0.00 0.00 0.00 0.00 60.65 62.44 2aee s ILE 108 Cb 0.10 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 2aee s ILE 108 CO 0.82 0.08 0.06 -1.61 0.00 0.00 0.00 174.94 174.29 2aee s GLU 109 N 1.66 3.37 0.00 2.79 0.41 0.97 -4.94 118.70 122.96 2aee s GLU 109 Ca 0.45 -0.30 0.00 0.00 -0.41 0.00 0.00 54.97 54.71 2aee s GLU 109 Cb -0.18 -3.02 0.00 0.00 -1.78 0.00 0.00 34.13 29.14 2aee s GLU 109 CO 0.19 0.63 0.00 0.41 -0.49 0.00 0.00 175.26 176.00 2aee n GLY 110 N 2.41 -0.56 2.86 -1.39 0.00 -1.26 -1.71 105.19 105.54 2aee n GLY 110 Ca -0.19 -2.17 -0.23 0.00 0.00 0.00 0.00 46.02 43.44 2aee n GLY 110 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2aee s ARG 111 N 0.00 0.97 -0.08 1.61 3.52 -1.26 -5.06 118.95 118.65 2aee s ARG 111 Ca 0.00 -0.09 -0.00 0.00 -0.13 0.00 0.00 55.73 55.51 2aee s ARG 111 Cb 0.00 -1.09 0.02 0.00 -1.56 0.00 0.00 34.95 32.33 2aee s ARG 111 CO 0.00 -0.19 -0.05 0.08 -0.81 0.00 0.00 175.30 174.33 2aee s VAL 112 N 1.42 0.72 0.47 7.11 1.01 -1.26 -4.96 120.40 124.91 2aee s VAL 112 Ca -0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 2aee s VAL 112 Cb -0.13 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2aee s VAL 112 CO -0.03 0.30 0.75 -0.76 0.00 0.00 0.00 175.10 175.36 2aee s LEU 113 N 1.48 3.66 0.11 3.92 1.43 -1.26 -4.97 118.68 123.05 2aee s LEU 113 Ca -0.01 0.80 -0.33 0.00 -1.03 0.00 0.00 54.13 53.56 2aee s LEU 113 Cb -0.13 -3.73 -0.13 0.00 0.03 0.00 0.00 46.19 42.24 2aee s LEU 113 CO -0.04 -0.58 1.70 1.17 0.23 0.00 0.00 176.35 178.84 2aee n LYS 114 N -2.20 2.33 -0.77 1.70 4.81 -1.26 -2.11 118.16 120.67 2aee n LYS 114 Ca -0.00 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 2aee n LYS 114 Cb 0.56 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.94 2aee n LYS 114 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2aee n GLY 115 N 3.82 0.91 3.71 3.14 0.00 0.22 -4.99 105.19 111.99 2aee n GLY 115 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2aee n GLY 115 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2aee n GLN 116 N -2.00 2.78 -2.74 1.61 7.27 -0.89 -4.36 117.38 119.05 2aee n GLN 116 Ca 0.00 1.01 -0.42 0.00 0.07 0.00 0.00 57.00 57.65 2aee n GLN 116 Cb 0.00 -2.87 -0.03 0.00 2.41 0.00 0.00 30.24 29.75 2aee n GLN 116 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2aee s LYS 117 N 1.68 4.30 -0.10 3.69 1.02 -1.26 -0.31 119.74 128.77 2aee s LYS 117 Ca 0.77 1.26 0.03 0.00 0.02 0.00 0.00 55.97 58.05 2aee s LYS 117 Cb -0.50 -3.60 0.01 0.00 -0.52 0.00 0.00 37.83 33.22 2aee s LYS 117 CO 0.34 -0.48 -0.20 1.41 -0.92 0.00 0.00 175.35 175.50 2aee s MET 118 N 2.64 2.65 -0.15 1.68 -2.45 0.21 0.32 119.30 124.20 2aee s MET 118 Ca 0.43 -0.74 -0.04 0.00 -1.25 0.00 0.00 55.69 54.10 2aee s MET 118 Cb -0.16 -2.06 -0.03 0.00 1.25 0.00 0.00 34.83 33.83 2aee s MET 118 CO 0.11 0.10 -0.04 0.08 1.05 0.00 0.00 175.02 176.31 2aee s VAL 119 N 0.53 3.87 -0.15 10.11 1.01 -0.82 -0.22 120.40 134.73 2aee s VAL 119 Ca -0.15 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 2aee s VAL 119 Cb -0.17 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 2aee s VAL 119 CO 0.06 0.50 0.07 -0.63 0.00 0.00 0.00 175.10 175.09 2aee s ILE 120 N 0.35 4.86 -0.14 2.22 1.01 -0.50 -1.16 121.20 127.84 2aee s ILE 120 Ca -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.56 2aee s ILE 120 Cb -0.14 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 2aee s ILE 120 CO 0.03 0.53 -0.07 -0.63 0.00 0.00 0.00 174.94 174.80 2aee s ILE 121 N -0.20 3.65 0.04 2.92 -1.09 0.63 -0.90 121.20 126.24 2aee s ILE 121 Ca 0.08 -0.45 0.04 0.00 -2.23 0.00 0.00 60.65 58.08 2aee s ILE 121 Cb -0.12 -2.57 -0.02 0.00 -1.58 0.00 0.00 42.46 38.17 2aee s ILE 121 CO 0.01 0.51 -0.11 -0.70 -1.23 0.00 0.00 174.94 173.43 2aee s GLU 122 N 0.22 0.69 -0.07 2.79 2.56 -0.71 -1.40 118.70 122.79 2aee s GLU 122 Ca -0.04 -0.73 -0.03 0.00 0.00 0.00 0.00 54.97 54.17 2aee s GLU 122 Cb -0.14 -0.61 -0.27 0.00 2.00 0.00 0.00 34.13 35.11 2aee s GLU 122 CO 0.04 0.14 0.56 0.38 -0.56 0.00 0.00 175.26 175.82 2aee h ASP 123 N 4.77 0.38 -3.67 -1.70 2.03 -1.87 -2.70 116.42 113.65 2aee h ASP 123 Ca -0.37 -0.71 -0.31 0.00 -0.73 0.00 0.00 57.03 54.91 2aee h ASP 123 Cb 1.19 -0.12 -0.31 0.00 -0.83 0.00 0.00 39.33 39.26 2aee h ASP 123 CO 0.43 1.62 -0.74 -0.22 -1.03 0.00 0.00 179.24 179.30 2aee s LEU 124 N -6.91 1.62 -0.35 0.15 2.96 -1.26 -2.96 118.68 111.92 2aee s LEU 124 Ca -0.16 -0.04 -0.11 0.00 -0.22 0.00 0.00 54.13 53.60 2aee s LEU 124 Cb 0.07 -0.18 0.01 0.00 0.50 0.00 0.00 46.19 46.58 2aee s LEU 124 CO 0.81 -0.03 0.20 -0.63 -1.32 0.00 0.00 176.35 175.39 2aee s ILE 125 N 0.43 4.74 0.00 6.68 -1.09 0.10 -4.90 121.20 127.17 2aee s ILE 125 Ca -0.04 -0.62 0.00 0.00 -2.23 0.00 0.00 60.65 57.76 2aee s ILE 125 Cb -0.07 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 2aee s ILE 125 CO -0.01 -0.12 0.00 -0.24 -1.23 0.00 0.00 174.94 173.34 2aee n SER 126 N 5.02 0.00 0.13 3.58 2.88 -1.26 -2.33 113.62 121.65 2aee n SER 126 Ca -0.12 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.54 2aee n SER 126 Cb 0.48 0.00 0.31 0.00 -0.75 0.00 0.00 64.21 64.24 2aee n SER 126 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2aee h THR 127 N 0.00 0.00 0.00 2.46 1.35 -1.94 -3.39 112.91 111.39 2aee h THR 127 Ca 0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 2aee h THR 127 Cb 0.00 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 2aee h THR 127 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2aee n GLY 128 N 1.25 1.19 0.36 5.82 0.00 -1.26 -3.87 105.19 108.68 2aee n GLY 128 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 2aee n GLY 128 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2aee h GLY 129 N 0.00 1.51 0.80 -0.02 0.00 -1.97 -1.36 103.07 102.03 2aee h GLY 129 Ca 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 2aee h GLY 129 CO 0.00 0.27 -0.05 1.76 0.00 0.00 0.00 176.54 178.53 2aee h SER 130 N 1.08 0.37 0.50 0.19 0.02 -1.97 -1.23 113.55 112.51 2aee h SER 130 Ca 0.44 -0.37 -0.12 0.00 -0.84 0.00 0.00 61.79 60.90 2aee h SER 130 Cb 0.25 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 2aee h SER 130 CO -0.20 0.66 -0.54 1.62 -1.14 0.00 0.00 176.83 177.22 2aee h VAL 131 N 0.09 1.39 -0.07 2.27 3.04 -1.92 -0.20 116.25 120.84 2aee h VAL 131 Ca 0.05 -1.86 -0.17 0.00 -1.01 0.00 0.00 66.70 63.70 2aee h VAL 131 Cb 0.49 1.98 -0.01 0.00 -2.01 0.00 0.00 31.29 31.75 2aee h VAL 131 CO 0.02 0.54 -0.70 -0.07 -1.01 0.00 0.00 177.57 176.35 2aee h LEU 132 N 0.04 0.39 -0.62 3.16 3.38 -1.15 0.27 115.31 120.79 2aee h LEU 132 Ca -0.00 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 2aee h LEU 132 Cb 0.98 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 2aee h LEU 132 CO 0.07 0.97 0.24 0.44 0.09 0.00 0.00 178.44 180.26 2aee h ASP 133 N 0.23 0.85 -0.56 -0.43 3.32 -1.02 -1.01 116.42 117.80 2aee h ASP 133 Ca -0.02 -0.17 0.05 0.00 0.02 0.00 0.00 57.03 56.90 2aee h ASP 133 Cb 1.25 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.54 2aee h ASP 133 CO 0.11 0.79 0.30 0.00 -1.72 0.00 0.00 179.24 178.73 2aee h ALA 134 N 1.09 0.73 -0.38 3.45 0.00 -0.49 -1.77 119.26 121.89 2aee h ALA 134 Ca 0.20 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2aee h ALA 134 Cb 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2aee h ALA 134 CO -0.02 -0.02 0.14 0.00 0.00 0.00 0.00 179.25 179.35 2aee h ALA 135 N 1.29 0.49 -0.76 0.00 0.00 -0.22 -1.42 119.26 118.64 2aee h ALA 135 Ca 0.25 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2aee h ALA 135 Cb 0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2aee h ALA 135 CO -0.15 0.11 0.27 0.00 0.00 0.00 0.00 179.25 179.48 2aee h ALA 136 N 0.98 0.99 -0.20 0.00 0.00 -1.07 -1.69 119.26 118.28 2aee h ALA 136 Ca 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2aee h ALA 136 Cb 0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2aee h ALA 136 CO -0.01 0.64 0.06 0.00 0.00 0.00 0.00 179.25 179.95 2aee h ALA 137 N 1.14 0.26 -0.77 0.00 0.00 -1.02 -0.34 119.26 118.52 2aee h ALA 137 Ca 0.25 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.06 2aee h ALA 137 Cb 0.26 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2aee h ALA 137 CO -0.01 -0.12 0.48 0.00 0.00 0.00 0.00 179.25 179.60 2aee h ALA 138 N 0.88 1.02 -0.58 0.00 0.00 -1.20 -2.07 119.26 117.31 2aee h ALA 138 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2aee h ALA 138 Cb 0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2aee h ALA 138 CO -0.00 0.27 0.36 0.77 0.00 0.00 0.00 179.25 180.65 2aee h SER 139 N 0.93 0.69 -0.95 0.00 0.02 -1.12 -2.04 113.55 111.09 2aee h SER 139 Ca 0.31 -0.05 0.13 0.00 -0.84 0.00 0.00 61.79 61.35 2aee h SER 139 Cb 0.05 -0.17 -0.08 0.00 0.14 0.00 0.00 62.40 62.33 2aee h SER 139 CO -0.12 0.54 0.60 0.03 -1.14 0.00 0.00 176.83 176.73 2aee h ARG 140 N 0.79 0.82 -0.27 3.45 3.08 -0.76 -2.13 114.38 119.35 2aee h ARG 140 Ca 0.21 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2aee h ARG 140 Cb -0.04 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.83 2aee h ARG 140 CO -0.04 0.54 0.00 0.39 -1.07 0.00 0.00 179.97 179.79 2aee n GLU 141 N -4.60 1.70 0.00 0.04 1.02 -0.80 -4.92 120.64 113.09 2aee n GLU 141 Ca 0.18 -1.09 0.00 0.00 -0.02 0.00 0.00 57.16 56.24 2aee n GLU 141 Cb 0.41 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 2aee n GLU 141 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2aee n GLY 142 N 1.02 0.62 3.76 0.62 0.00 -0.80 -4.82 105.19 105.60 2aee n GLY 142 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 2aee n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aee s ALA 143 N -2.00 2.67 -0.63 4.61 0.00 -0.86 0.71 121.76 126.26 2aee s ALA 143 Ca 0.00 1.00 -0.13 0.00 0.00 0.00 0.00 51.96 52.82 2aee s ALA 143 Cb 0.00 -3.44 0.16 0.00 0.00 0.00 0.00 23.12 19.85 2aee s ALA 143 CO 0.00 -1.03 0.56 0.34 0.00 0.00 0.00 175.76 175.63 2aee s ASP 144 N -1.53 6.25 -0.32 0.00 -1.08 0.58 -4.37 116.67 116.20 2aee s ASP 144 Ca 0.74 -2.18 -0.29 0.00 -0.52 0.00 0.00 52.55 50.30 2aee s ASP 144 Cb -0.30 -2.16 -0.01 0.00 -1.46 0.00 0.00 42.92 38.99 2aee s ASP 144 CO 0.33 -0.70 1.62 -0.69 0.52 0.00 0.00 175.17 176.25 2aee s VAL 145 N 0.97 3.68 0.03 1.11 1.01 -1.26 -0.62 120.40 125.33 2aee s VAL 145 Ca 0.09 0.72 -0.16 0.00 0.00 0.00 0.00 61.98 62.63 2aee s VAL 145 Cb -0.22 -3.84 -0.31 0.00 0.00 0.00 0.00 36.38 32.01 2aee s VAL 145 CO -0.02 -0.48 1.05 -0.07 0.00 0.00 0.00 175.10 175.58 2aee h LEU 146 N 12.59 0.82 0.00 3.92 3.38 -0.97 -3.47 115.31 131.57 2aee h LEU 146 Ca -0.32 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 56.79 2aee h LEU 146 Cb 1.14 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2aee h LEU 146 CO 1.04 1.60 0.00 0.61 0.09 0.00 0.00 178.44 181.78 2aee n GLY 147 N 1.49 -0.79 3.32 0.83 0.00 -1.24 -4.42 105.19 104.38 2aee n GLY 147 Ca -0.15 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 2aee n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aee s VAL 148 N -2.00 2.36 -0.03 1.61 1.01 -0.09 -1.42 120.40 121.85 2aee s VAL 148 Ca 0.00 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.09 2aee s VAL 148 Cb 0.00 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 2aee s VAL 148 CO 0.00 0.57 -0.24 -0.69 0.00 0.00 0.00 175.10 174.74 2aee s VAL 149 N -0.24 2.25 0.06 2.92 1.01 -0.08 -1.45 120.40 124.87 2aee s VAL 149 Ca -0.01 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.97 2aee s VAL 149 Cb -0.13 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 2aee s VAL 149 CO 0.03 0.58 -0.10 0.00 0.00 0.00 0.00 175.10 175.61 2aee s ALA 150 N -0.60 0.82 0.16 5.51 0.00 -0.46 -1.73 121.76 125.46 2aee s ALA 150 Ca 0.09 -0.92 -0.15 0.00 0.00 0.00 0.00 51.96 50.99 2aee s ALA 150 Cb -0.10 0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.07 2aee s ALA 150 CO -0.00 0.01 1.79 0.82 0.00 0.00 0.00 175.76 178.37 2aee h ILE 151 N 4.21 1.16 -2.84 0.00 2.04 -1.49 -1.23 117.51 119.36 2aee h ILE 151 Ca -0.37 -0.37 -0.12 0.00 1.00 0.00 0.00 64.86 64.99 2aee h ILE 151 Cb 1.20 0.52 -0.23 0.00 -0.74 0.00 0.00 36.82 37.57 2aee h ILE 151 CO 0.44 0.16 -0.25 0.12 0.00 0.00 0.00 178.15 178.62 2aee s PHE 152 N -5.95 -0.36 0.04 1.37 5.36 -1.15 -0.38 117.98 116.91 2aee s PHE 152 Ca -0.13 0.81 0.04 0.00 -0.96 0.00 0.00 56.93 56.69 2aee s PHE 152 Cb 0.12 0.14 -0.02 0.00 -0.34 0.00 0.00 43.02 42.91 2aee s PHE 152 CO 0.75 -0.28 -0.12 -0.08 -1.46 0.00 0.00 175.22 174.03 2aee s THR 153 N -0.31 0.93 -1.68 0.12 -1.32 -1.14 -0.72 115.64 111.52 2aee s THR 153 Ca -0.05 -1.03 0.30 0.00 -1.21 0.00 0.00 61.69 59.70 2aee s THR 153 Cb -0.03 -0.88 0.56 0.00 -1.51 0.00 0.00 72.50 70.63 2aee s THR 153 CO 0.02 -0.13 1.98 -1.22 -2.21 0.00 0.00 174.62 173.06 2aee n TYR 154 N 1.73 0.00 -3.48 9.09 4.01 -0.98 -1.05 117.16 126.48 2aee n TYR 154 Ca -0.19 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.31 2aee n TYR 154 Cb 0.55 -0.17 0.07 0.00 -0.31 0.00 0.00 39.34 39.47 2aee n TYR 154 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2aee n GLU 155 N -1.01 -7.21 -2.66 -0.72 1.02 -1.26 -4.72 120.64 104.07 2aee n GLU 155 Ca 0.16 0.84 -0.41 0.00 -0.02 0.00 0.00 57.16 57.73 2aee n GLU 155 Cb 0.24 -5.85 -0.04 0.00 -0.02 0.00 0.00 31.44 25.77 2aee n GLU 155 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2aee s LEU 156 N -7.18 4.45 0.47 -4.62 1.02 -1.26 -4.93 118.68 106.64 2aee s LEU 156 Ca 0.53 1.82 0.20 0.00 0.02 0.00 0.00 54.13 56.70 2aee s LEU 156 Cb -0.23 -3.58 1.22 0.00 0.02 0.00 0.00 46.19 43.61 2aee s LEU 156 CO 0.65 -0.18 1.95 -0.65 0.02 0.00 0.00 176.35 178.14 2aee h PRO 157 N 5.95 0.22 -0.81 1.29 0.11 -1.92 -1.63 132.00 135.20 2aee h PRO 157 Ca -0.42 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.76 2aee h PRO 157 Cb 1.21 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.20 2aee h PRO 157 CO 0.74 0.14 0.46 -0.22 -0.21 0.00 0.00 178.00 178.92 2aee h LYS 158 N 0.23 0.77 -0.67 1.05 3.11 -1.91 -1.86 116.57 117.27 2aee h LYS 158 Ca 0.33 -0.05 -0.05 0.00 -2.81 0.00 0.00 60.65 58.08 2aee h LYS 158 Cb 0.97 -0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 31.99 2aee h LYS 158 CO -0.07 0.51 0.24 0.00 -2.81 0.00 0.00 179.45 177.33 2aee h ALA 159 N 1.44 0.88 -0.46 5.00 0.00 -1.41 0.01 119.26 124.72 2aee h ALA 159 Ca 0.39 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2aee h ALA 159 Cb 0.33 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2aee h ALA 159 CO -0.24 0.52 0.22 0.77 0.00 0.00 0.00 179.25 180.53 2aee h SER 160 N 0.97 0.61 -0.26 0.00 0.02 -1.25 -1.46 113.55 112.17 2aee h SER 160 Ca 0.22 -0.13 -0.15 0.00 -0.84 0.00 0.00 61.79 60.89 2aee h SER 160 Cb 0.25 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 2aee h SER 160 CO -0.01 0.57 -0.43 0.06 -1.14 0.00 0.00 176.83 175.87 2aee h GLN 161 N 0.61 0.76 -0.49 3.45 3.07 -1.27 -1.56 115.11 119.67 2aee h GLN 161 Ca 0.16 -0.46 0.10 0.00 0.09 0.00 0.00 58.65 58.54 2aee h GLN 161 Cb 0.12 0.05 -0.09 0.00 0.08 0.00 0.00 27.48 27.64 2aee h GLN 161 CO -0.02 1.09 -0.11 -0.91 0.09 0.00 0.00 178.83 178.96 2aee h ASN 162 N 0.50 -0.44 -0.41 0.06 -0.26 -0.84 -0.05 115.58 114.14 2aee h ASN 162 Ca 0.02 0.14 -0.15 0.00 -0.56 0.00 0.00 56.30 55.75 2aee h ASN 162 Cb 1.03 0.30 -0.01 0.00 -1.06 0.00 0.00 38.32 38.58 2aee h ASN 162 CO 0.10 -0.16 -0.33 -0.26 -1.06 0.00 0.00 177.43 175.72 2aee h PHE 163 N 0.01 1.13 -0.46 1.19 0.04 -1.16 -1.67 116.94 116.02 2aee h PHE 163 Ca 0.24 -0.32 -0.03 0.00 2.80 0.00 0.00 57.97 60.66 2aee h PHE 163 Cb 0.36 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 2aee h PHE 163 CO -0.41 1.15 0.17 0.87 -0.60 0.00 0.00 178.31 179.49 2aee h LYS 164 N 0.79 0.69 -0.09 1.51 1.57 -1.05 0.36 116.57 120.35 2aee h LYS 164 Ca 0.08 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2aee h LYS 164 Cb 0.93 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 2aee h LYS 164 CO 0.09 0.64 0.05 0.93 -0.57 0.00 0.00 179.45 180.59 2aee h GLU 165 N 0.60 0.12 0.00 3.15 5.08 -0.97 -2.70 114.58 119.85 2aee h GLU 165 Ca 0.15 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2aee h GLU 165 Cb 0.22 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2aee h GLU 165 CO -0.01 0.15 0.00 0.00 -1.00 0.00 0.00 179.01 178.15 2aee h ALA 166 N 0.96 1.00 -2.94 3.43 0.00 -1.09 -3.47 119.26 117.15 2aee h ALA 166 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 2aee h ALA 166 Cb 0.07 0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.91 2aee h ALA 166 CO -0.01 0.00 -0.30 0.41 0.00 0.00 0.00 179.25 179.35 2aee n GLY 167 N -0.47 0.23 3.17 0.00 0.00 0.03 -5.05 105.19 103.10 2aee n GLY 167 Ca -0.01 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 2aee n GLY 167 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aee s ILE 168 N -3.05 1.66 0.21 -0.61 1.01 -0.70 -5.04 121.20 114.68 2aee s ILE 168 Ca 0.23 -0.83 -0.30 0.00 0.00 0.00 0.00 60.65 59.75 2aee s ILE 168 Cb -0.10 -1.43 -0.08 0.00 0.01 0.00 0.00 42.46 40.86 2aee s ILE 168 CO 0.28 0.47 1.08 -0.75 0.00 0.00 0.00 174.94 176.03 2aee s LYS 169 N 0.13 4.63 -0.08 2.79 2.20 -1.26 -4.66 119.74 123.49 2aee s LYS 169 Ca -0.08 1.72 0.04 0.00 -0.36 0.00 0.00 55.97 57.29 2aee s LYS 169 Cb -0.14 -3.26 -0.00 0.00 -1.51 0.00 0.00 37.83 32.92 2aee s LYS 169 CO 0.04 0.15 -0.22 -1.17 -0.36 0.00 0.00 175.35 173.79 2aee s LEU 170 N -0.70 2.00 -0.02 5.43 2.96 -1.26 -0.91 118.68 126.18 2aee s LEU 170 Ca 0.47 -0.49 0.08 0.00 -0.22 0.00 0.00 54.13 53.97 2aee s LEU 170 Cb -0.30 -1.27 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 2aee s LEU 170 CO 0.36 0.16 -0.25 -0.63 -1.32 0.00 0.00 176.35 174.67 2aee s ILE 171 N 0.24 1.94 0.13 6.68 -1.09 -0.53 -4.99 121.20 123.58 2aee s ILE 171 Ca -0.13 -1.05 0.06 0.00 -2.23 0.00 0.00 60.65 57.30 2aee s ILE 171 Cb -0.16 -1.61 -0.04 0.00 -1.58 0.00 0.00 42.46 39.07 2aee s ILE 171 CO 0.06 0.55 -0.14 0.42 -1.23 0.00 0.00 174.94 174.60 2aee s THR 172 N -0.58 1.39 0.00 2.92 -4.23 -1.26 -1.35 115.64 112.53 2aee s THR 172 Ca 0.09 -1.75 -0.01 0.00 -1.18 0.00 0.00 61.69 58.85 2aee s THR 172 Cb -0.09 -1.57 -0.26 0.00 1.34 0.00 0.00 72.50 71.91 2aee s THR 172 CO -0.01 -0.41 0.84 -0.07 -0.54 0.00 0.00 174.62 174.43 2aee h LEU 173 N 3.48 0.31 -8.51 4.79 3.38 -1.10 -3.48 115.31 114.17 2aee h LEU 173 Ca -0.40 -0.46 -0.20 0.00 0.09 0.00 0.00 57.88 56.91 2aee h LEU 173 Cb 1.20 -0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.71 2aee h LEU 173 CO 0.51 1.38 -0.53 -0.55 0.09 0.00 0.00 178.44 179.34 2aee s SER 174 N -6.86 0.11 0.05 -0.43 0.15 0.48 -3.63 113.70 103.58 2aee s SER 174 Ca -0.08 -1.29 -0.17 0.00 0.70 0.00 0.00 55.95 55.11 2aee s SER 174 Cb 0.07 0.41 0.03 0.00 -1.71 0.00 0.00 66.02 64.82 2aee s SER 174 CO 0.84 -0.89 0.38 0.54 1.20 0.00 0.00 173.24 175.31 2aee s ASN 175 N -3.13 -0.23 0.19 5.45 4.22 -1.26 -2.87 114.94 117.32 2aee s ASN 175 Ca 0.35 -0.08 -0.21 0.00 -2.14 0.00 0.00 52.86 50.78 2aee s ASN 175 Cb 0.06 0.40 0.13 0.00 1.28 0.00 0.00 41.25 43.12 2aee s ASN 175 CO 0.11 -0.66 1.57 0.22 -2.04 0.00 0.00 177.10 176.30 2aee h TYR 176 N 3.05 -1.05 -0.44 1.54 3.20 -1.38 -1.85 116.97 120.04 2aee h TYR 176 Ca -0.31 0.08 0.08 0.00 3.14 0.00 0.00 58.73 61.71 2aee h TYR 176 Cb 1.21 0.56 -0.06 0.00 1.54 0.00 0.00 36.73 39.97 2aee h TYR 176 CO 0.42 -0.40 0.05 1.15 -1.64 0.00 0.00 178.16 177.75 2aee h THR 177 N -0.13 0.72 -0.30 1.81 2.02 -1.90 -0.13 112.91 115.00 2aee h THR 177 Ca 0.25 -0.06 -0.15 0.00 0.77 0.00 0.00 66.41 67.22 2aee h THR 177 Cb 0.56 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2aee h THR 177 CO -0.76 0.03 -0.42 -0.33 0.37 0.00 0.00 175.52 174.41 2aee h GLU 178 N 0.17 0.74 -0.51 6.66 5.08 -1.91 -2.70 114.58 122.11 2aee h GLU 178 Ca 0.22 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 2aee h GLU 178 Cb 0.29 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2aee h GLU 178 CO -0.31 1.02 0.02 1.25 -1.00 0.00 0.00 179.01 179.99 2aee h LEU 179 N 0.60 0.86 -1.09 1.33 6.46 -0.99 -2.39 115.31 120.09 2aee h LEU 179 Ca 0.04 -0.29 -0.04 0.00 -0.12 0.00 0.00 57.88 57.47 2aee h LEU 179 Cb 0.98 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 2aee h LEU 179 CO 0.09 0.94 -0.21 0.16 -0.62 0.00 0.00 178.44 178.81 2aee h ILE 180 N 0.75 0.50 -0.23 4.05 3.07 -1.01 -0.77 117.51 123.87 2aee h ILE 180 Ca 0.15 -1.09 -0.05 0.00 1.55 0.00 0.00 64.86 65.42 2aee h ILE 180 Cb 0.49 1.76 -0.01 0.00 -0.27 0.00 0.00 36.82 38.79 2aee h ILE 180 CO 0.02 0.20 -0.03 0.00 -1.05 0.00 0.00 178.15 177.29 2aee h ALA 181 N 1.79 0.31 -0.63 0.16 0.00 -1.26 -1.56 119.26 118.09 2aee h ALA 181 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2aee h ALA 181 Cb 0.75 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2aee h ALA 181 CO 0.03 0.08 0.27 0.28 0.00 0.00 0.00 179.25 179.90 2aee h VAL 182 N 0.18 1.23 -0.53 0.00 2.07 -1.25 -1.93 116.25 116.02 2aee h VAL 182 Ca 0.06 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 66.97 2aee h VAL 182 Cb 0.47 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 2aee h VAL 182 CO 0.02 0.28 0.18 0.00 0.02 0.00 0.00 177.57 178.06 2aee h ALA 183 N 1.11 0.65 -0.29 1.67 0.00 -1.02 0.53 119.26 121.91 2aee h ALA 183 Ca 0.21 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2aee h ALA 183 Cb 0.18 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2aee h ALA 183 CO -0.02 -0.23 0.10 -0.22 0.00 0.00 0.00 179.25 178.89 2aee h LYS 184 N 0.35 0.45 -0.62 0.00 1.63 -1.13 -0.30 116.57 116.95 2aee h LYS 184 Ca 0.26 -0.09 0.06 0.00 -0.85 0.00 0.00 60.65 60.03 2aee h LYS 184 Cb 0.31 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.82 2aee h LYS 184 CO -0.28 0.48 0.33 1.25 -3.45 0.00 0.00 179.45 177.79 2aee h LEU 185 N 0.32 0.48 -0.73 5.20 5.85 -0.85 -2.37 115.31 123.21 2aee h LEU 185 Ca 0.10 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2aee h LEU 185 Cb 0.21 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2aee h LEU 185 CO -0.01 0.31 0.00 0.00 -0.34 0.00 0.00 178.44 178.41 2aee n GLN 186 N -4.83 1.49 -0.98 1.25 6.02 0.13 -4.96 117.38 115.51 2aee n GLN 186 Ca 0.07 -0.73 0.00 0.00 -0.01 0.00 0.00 57.00 56.33 2aee n GLN 186 Cb 0.17 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.00 2aee n GLN 186 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2aee n GLY 187 N 1.08 0.44 0.19 1.08 0.00 -0.69 -4.94 105.19 102.35 2aee n GLY 187 Ca 0.18 -0.61 0.06 0.00 0.00 0.00 0.00 46.02 45.66 2aee n GLY 187 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2aee h TYR 188 N 0.00 0.00 -4.08 1.61 0.05 -1.35 -3.46 116.97 109.75 2aee h TYR 188 Ca 0.00 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.52 2aee h TYR 188 Cb 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 37.59 2aee h TYR 188 CO 0.00 0.35 -0.64 0.96 -1.05 0.00 0.00 178.16 177.77 2aee s ILE 189 N -3.46 0.39 0.55 -2.88 -4.36 -1.20 -4.98 121.20 105.26 2aee s ILE 189 Ca 0.01 -1.97 0.09 0.00 -0.26 0.00 0.00 60.65 58.52 2aee s ILE 189 Cb 0.10 -2.25 0.07 0.00 1.25 0.00 0.00 42.46 41.62 2aee s ILE 189 CO 0.68 -0.31 0.68 0.42 0.24 0.00 0.00 174.94 176.65 2aee s THR 190 N -3.86 2.14 0.26 8.37 -4.23 -1.26 -4.53 115.64 112.52 2aee s THR 190 Ca 0.29 -1.11 -0.03 0.00 -1.18 0.00 0.00 61.69 59.66 2aee s THR 190 Cb 0.07 -2.25 0.26 0.00 1.34 0.00 0.00 72.50 71.92 2aee s THR 190 CO 0.06 0.00 1.86 0.78 -0.54 0.00 0.00 174.62 176.79 2aee h ASN 191 N 0.36 0.95 -0.63 3.99 2.35 -1.99 -0.83 115.58 119.79 2aee h ASN 191 Ca -0.32 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.48 2aee h ASN 191 Cb 1.29 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 39.44 2aee h ASN 191 CO 0.45 0.59 0.38 0.44 -1.65 0.00 0.00 177.43 177.64 2aee h ASP 192 N 1.08 0.61 -0.43 5.81 3.32 -1.99 -0.18 116.42 124.64 2aee h ASP 192 Ca 0.43 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.38 2aee h ASP 192 Cb 0.23 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2aee h ASP 192 CO -0.19 0.42 -0.13 1.23 -1.72 0.00 0.00 179.24 178.85 2aee h GLY 193 N 0.74 0.91 0.70 2.75 0.00 -1.82 -1.72 103.07 104.64 2aee h GLY 193 Ca 0.26 -0.77 0.05 0.00 0.00 0.00 0.00 47.33 46.86 2aee h GLY 193 CO -0.12 0.70 0.24 -2.00 0.00 0.00 0.00 176.54 175.37 2aee h LEU 194 N 0.67 0.33 -0.57 3.11 5.85 -0.89 0.15 115.31 123.96 2aee h LEU 194 Ca 0.10 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.88 2aee h LEU 194 Cb 0.68 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 2aee h LEU 194 CO 0.05 0.23 0.35 -0.74 -0.34 0.00 0.00 178.44 177.99 2aee h HIS 195 N 0.47 0.65 -0.62 1.25 2.76 -0.85 0.05 115.15 118.86 2aee h HIS 195 Ca 0.22 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.39 2aee h HIS 195 Cb 0.15 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 28.87 2aee h HIS 195 CO -0.11 0.37 0.30 -0.07 -1.30 0.00 0.00 177.93 177.13 2aee h LEU 196 N 0.69 0.81 -0.88 0.26 3.38 -0.90 -1.43 115.31 117.24 2aee h LEU 196 Ca 0.23 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2aee h LEU 196 Cb 0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2aee h LEU 196 CO -0.10 0.71 0.09 -0.07 0.09 0.00 0.00 178.44 179.16 2aee h LEU 197 N 0.85 0.87 -0.31 1.67 3.38 -0.02 -1.63 115.31 120.12 2aee h LEU 197 Ca 0.21 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2aee h LEU 197 Cb 0.11 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2aee h LEU 197 CO -0.03 0.88 0.00 0.11 0.09 0.00 0.00 178.44 179.50 2aee h LYS 198 N 0.87 0.55 -0.69 1.13 1.79 -0.71 -3.00 116.57 116.51 2aee h LYS 198 Ca 0.18 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 2aee h LYS 198 Cb 0.39 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.96 2aee h LYS 198 CO 0.01 0.69 0.36 0.87 -1.08 0.00 0.00 179.45 180.30 2aee h LYS 199 N 0.35 0.97 -0.60 3.15 1.57 -1.09 -2.70 116.57 118.22 2aee h LYS 199 Ca 0.09 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 2aee h LYS 199 Cb 0.43 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 2aee h LYS 199 CO 0.02 0.72 0.35 0.35 -0.57 0.00 0.00 179.45 180.32 2aee h PHE 200 N 0.97 0.66 -0.52 -1.35 3.57 -1.19 -0.19 116.94 118.89 2aee h PHE 200 Ca 0.24 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 2aee h PHE 200 Cb 0.05 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 2aee h PHE 200 CO 0.01 0.36 0.11 -0.22 -2.23 0.00 0.00 178.31 176.34 2aee h LYS 201 N 0.69 0.80 0.00 1.11 3.64 -1.36 -2.81 116.57 118.64 2aee h LYS 201 Ca 0.25 -0.16 -0.18 0.00 -1.27 0.00 0.00 60.65 59.28 2aee h LYS 201 Cb 0.07 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2aee h LYS 201 CO -0.12 0.73 -0.86 1.05 -2.27 0.00 0.00 179.45 177.97 2aee h GLU 202 N 0.77 0.03 -1.41 1.90 4.11 -1.15 -3.43 114.58 115.39 2aee h GLU 202 Ca 0.17 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.52 2aee h GLU 202 Cb 0.30 0.01 -0.25 0.00 0.50 0.00 0.00 28.75 29.31 2aee h GLU 202 CO -0.00 0.87 -0.40 0.34 0.07 0.00 0.00 179.01 179.89 2aee s ASP 203 N -6.79 -0.59 0.23 3.06 -1.08 -0.12 -5.03 116.67 106.34 2aee s ASP 203 Ca -0.00 0.37 0.25 0.00 -0.52 0.00 0.00 52.55 52.65 2aee s ASP 203 Cb 0.11 1.63 0.87 0.00 -1.46 0.00 0.00 42.92 44.06 2aee s ASP 203 CO 0.80 -0.29 1.76 0.00 0.52 0.00 0.00 175.17 177.96 2aee n GLN 204 N 5.39 0.25 0.02 4.34 3.00 -1.08 -3.34 117.38 125.95 2aee n GLN 204 Ca -0.01 0.29 -0.21 0.00 -0.01 0.00 0.00 57.00 57.05 2aee n GLN 204 Cb 0.51 -1.83 -0.14 0.00 0.00 0.00 0.00 30.24 28.77 2aee n GLN 204 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2aee h VAL 205 N 0.00 0.68 -0.26 5.09 2.07 -1.92 -3.41 116.25 118.50 2aee h VAL 205 Ca 0.00 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.14 2aee h VAL 205 Cb 0.62 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 2aee h VAL 205 CO 0.00 0.89 0.00 0.59 0.02 0.00 0.00 177.57 179.07 2aee n ASN 206 N -3.49 2.81 0.26 0.57 3.02 -1.24 -4.72 115.26 112.46 2aee n ASN 206 Ca -0.30 -2.12 0.13 0.00 -0.03 0.00 0.00 54.58 52.26 2aee n ASN 206 Cb 1.05 -0.22 0.69 0.00 -0.61 0.00 0.00 39.78 40.70 2aee n ASN 206 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 2aee h TRP 207 N 1.52 0.00 -0.00 3.10 5.08 -1.81 -1.06 115.95 122.78 2aee h TRP 207 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2aee h TRP 207 Cb 0.76 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.92 2aee h TRP 207 CO 0.20 0.12 -0.38 1.04 -1.28 0.00 0.00 178.44 178.14 2aee n GLN 208 N -3.47 0.41 0.00 0.12 6.02 -1.26 -4.80 117.38 114.40 2aee n GLN 208 Ca -0.01 -0.24 0.10 0.00 -0.01 0.00 0.00 57.00 56.84 2aee n GLN 208 Cb 0.28 -1.50 0.60 0.00 1.02 0.00 0.00 30.24 30.65 2aee n GLN 208 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09