#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aee n ALA 0 N 0.00 2.48 -1.99 0.00 0.00 -1.26 -5.01 120.51 114.72 2aee n ALA 0 Ca 0.00 -1.64 -0.33 0.00 0.00 0.00 0.00 53.44 51.48 2aee n ALA 0 Cb 0.00 -0.51 -0.07 0.00 0.00 0.00 0.00 19.45 18.88 2aee n ALA 0 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2aee s MET 1 N -1.77 4.11 0.92 0.00 1.00 -1.26 -5.06 119.30 117.24 2aee s MET 1 Ca 0.29 0.88 -0.10 0.00 0.00 0.00 0.00 55.69 56.76 2aee s MET 1 Cb 0.20 -2.32 0.15 0.00 0.00 0.00 0.00 34.83 32.86 2aee s MET 1 CO 0.11 0.08 1.15 0.95 0.00 0.00 0.00 175.02 177.31 2aee s THR 2 N -2.07 2.02 0.20 2.05 -4.23 -1.26 -4.75 115.64 107.61 2aee s THR 2 Ca 0.58 0.01 -0.10 0.00 -1.18 0.00 0.00 61.69 60.99 2aee s THR 2 Cb -0.10 -2.02 0.13 0.00 1.34 0.00 0.00 72.50 71.86 2aee s THR 2 CO 0.15 -0.01 1.80 0.25 -0.54 0.00 0.00 174.62 176.28 2aee h LEU 3 N -1.90 0.51 -0.74 4.79 5.85 -1.97 0.35 115.31 122.20 2aee h LEU 3 Ca -0.43 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.43 2aee h LEU 3 Cb 1.27 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 42.15 2aee h LEU 3 CO 0.41 0.33 0.36 0.00 -0.34 0.00 0.00 178.44 179.20 2aee h ALA 4 N 1.34 1.03 -0.06 1.25 0.00 -1.91 0.57 119.26 121.48 2aee h ALA 4 Ca 0.29 0.07 -0.19 0.00 0.00 0.00 0.00 54.91 55.08 2aee h ALA 4 Cb 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2aee h ALA 4 CO -0.18 -0.07 -0.76 0.77 0.00 0.00 0.00 179.25 179.01 2aee h SER 5 N 0.59 0.44 -0.08 0.00 0.02 -1.62 -1.73 113.55 111.17 2aee h SER 5 Ca 0.37 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2aee h SER 5 Cb 0.44 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 2aee h SER 5 CO -0.30 1.05 0.02 1.56 -1.14 0.00 0.00 176.83 178.02 2aee h GLN 6 N 0.24 0.13 0.02 3.45 4.20 -0.50 -0.99 115.11 121.66 2aee h GLN 6 Ca -0.04 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.66 2aee h GLN 6 Cb 1.34 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.08 2aee h GLN 6 CO 0.13 0.30 -0.10 0.82 -0.67 0.00 0.00 178.83 179.31 2aee h ILE 7 N -0.07 0.75 -0.84 2.54 2.04 -0.93 -2.49 117.51 118.52 2aee h ILE 7 Ca 0.03 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.00 2aee h ILE 7 Cb 0.23 0.75 -0.08 0.00 -0.74 0.00 0.00 36.82 36.98 2aee h ILE 7 CO -0.00 0.00 0.46 0.00 0.00 0.00 0.00 178.15 178.61 2aee h ALA 8 N 0.78 1.22 -0.33 1.87 0.00 -1.20 0.62 119.26 122.23 2aee h ALA 8 Ca 0.03 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.06 2aee h ALA 8 Cb 0.22 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2aee h ALA 8 CO -0.09 0.01 -0.02 1.15 0.00 0.00 0.00 179.25 180.31 2aee h THR 9 N 0.72 0.74 -0.19 0.00 2.02 -0.99 -1.54 112.91 113.67 2aee h THR 9 Ca 0.43 -0.03 -0.19 0.00 0.77 0.00 0.00 66.41 67.39 2aee h THR 9 Cb 0.50 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2aee h THR 9 CO -0.30 0.01 -0.64 1.56 0.37 0.00 0.00 175.52 176.52 2aee h GLN 10 N 0.07 0.70 -0.74 6.66 4.20 -0.91 -0.82 115.11 124.28 2aee h GLN 10 Ca 0.16 -0.50 0.04 0.00 0.06 0.00 0.00 58.65 58.41 2aee h GLN 10 Cb 0.22 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.03 2aee h GLN 10 CO -0.28 1.12 0.46 -0.07 -0.67 0.00 0.00 178.83 179.39 2aee h LEU 11 N 0.51 0.75 -0.27 1.46 3.38 -0.69 0.53 115.31 120.97 2aee h LEU 11 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 2aee h LEU 11 Cb 1.24 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2aee h LEU 11 CO 0.13 0.51 -0.39 -0.07 0.09 0.00 0.00 178.44 178.71 2aee h LEU 12 N 0.89 0.82 -0.38 1.67 3.38 -1.12 0.13 115.31 120.71 2aee h LEU 12 Ca 0.30 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2aee h LEU 12 Cb 0.05 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2aee h LEU 12 CO -0.12 1.17 0.09 -0.78 0.09 0.00 0.00 178.44 178.89 2aee h ASP 13 N 0.50 0.57 -0.13 -0.43 3.58 -0.69 -2.54 116.42 117.28 2aee h ASP 13 Ca 0.03 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.25 2aee h ASP 13 Cb 0.99 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.89 2aee h ASP 13 CO 0.09 0.65 0.00 2.30 -2.88 0.00 0.00 179.24 179.40 2aee n ILE 14 N -4.59 0.16 -3.71 2.25 -5.35 0.14 -4.93 119.36 103.34 2aee n ILE 14 Ca -0.01 -0.25 -0.27 0.00 -0.27 0.00 0.00 62.75 61.96 2aee n ILE 14 Cb 0.20 0.17 0.06 0.00 -1.74 0.00 0.00 39.64 38.33 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 0.01 -6.82 0.18 6.28 5.02 -0.88 -4.88 118.16 117.08 2aee n LYS 15 Ca 0.15 0.73 0.05 0.00 -2.02 0.00 0.00 58.31 57.22 2aee n LYS 15 Cb 0.25 -5.71 0.26 0.00 -0.02 0.00 0.00 35.03 29.81 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 1.00 0.90 -3.35 7.82 0.00 -1.02 -3.43 119.26 121.18 2aee h ALA 16 Ca -0.57 -0.36 -0.57 0.00 0.00 0.00 0.00 54.91 53.42 2aee h ALA 16 Cb 1.37 -0.06 -0.34 0.00 0.00 0.00 0.00 17.79 18.76 2aee h ALA 16 CO 0.61 0.49 -0.83 0.08 0.00 0.00 0.00 179.25 179.59 2aee s VAL 17 N -3.42 1.40 -0.09 0.00 1.01 -1.02 0.92 120.40 119.21 2aee s VAL 17 Ca 0.01 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 2aee s VAL 17 Cb 0.10 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 2aee s VAL 17 CO 0.70 0.42 -0.05 -0.31 0.00 0.00 0.00 175.10 175.85 2aee s TYR 18 N 0.76 2.99 -0.24 5.22 1.51 0.43 -4.47 117.35 123.56 2aee s TYR 18 Ca -0.12 -0.05 -0.02 0.00 -1.01 0.00 0.00 57.07 55.87 2aee s TYR 18 Cb -0.16 -1.79 0.02 0.00 -0.11 0.00 0.00 41.96 39.92 2aee s TYR 18 CO 0.02 0.25 -0.07 -0.51 -1.11 0.00 0.00 175.55 174.13 2aee s LEU 19 N -0.50 3.02 -0.43 -1.29 1.43 -1.26 -0.91 118.68 118.74 2aee s LEU 19 Ca 0.08 -0.74 0.09 0.00 -1.03 0.00 0.00 54.13 52.53 2aee s LEU 19 Cb -0.12 -1.66 0.31 0.00 0.03 0.00 0.00 46.19 44.74 2aee s LEU 19 CO 0.02 -0.09 0.70 0.29 0.23 0.00 0.00 176.35 177.49 2aee n LYS 20 N 4.69 1.37 0.26 1.70 4.76 0.32 -4.92 118.16 126.34 2aee n LYS 20 Ca -0.17 -3.67 0.11 0.00 -2.87 0.00 0.00 58.31 51.71 2aee n LYS 20 Cb 0.48 -1.68 0.74 0.00 -1.84 0.00 0.00 35.03 32.73 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 3.44 0.00 -0.03 1.97 0.13 -1.89 -2.40 132.00 133.23 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 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2aee h PRO 21 CO 0.57 0.00 -0.16 0.39 -0.23 0.00 0.00 178.00 178.57 2aee n GLU 22 N -4.27 1.95 -3.17 0.86 1.02 -1.26 -4.32 120.64 111.44 2aee n GLU 22 Ca -0.02 -1.61 -0.22 0.00 -0.02 0.00 0.00 57.16 55.29 2aee n GLU 22 Cb 0.13 -1.46 -0.05 0.00 -0.02 0.00 0.00 31.44 30.03 2aee n GLU 22 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2aee n ASP 23 N 0.89 0.27 -4.76 1.62 2.03 -0.96 -5.14 116.55 110.48 2aee n ASP 23 Ca 0.12 -2.81 -0.32 0.00 0.52 0.00 0.00 54.79 52.31 2aee n ASP 23 Cb 0.55 -0.55 0.08 0.00 -0.72 0.00 0.00 41.12 40.49 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 -1.49 2.36 0.62 -0.67 0.04 -0.94 -4.78 135.00 130.13 2aee s PRO 24 Ca 0.36 1.27 -0.13 0.00 0.04 0.00 0.00 61.00 62.54 2aee s PRO 24 Cb 0.23 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.83 2aee s PRO 24 CO -0.10 -1.58 1.03 -0.06 0.04 0.00 0.00 177.00 176.33 2aee s PHE 25 N -2.70 3.35 -0.24 0.56 0.08 0.27 -4.83 117.98 114.46 2aee s PHE 25 Ca 0.63 1.40 -0.08 0.00 0.12 0.00 0.00 56.93 59.00 2aee s PHE 25 Cb -0.19 -2.82 -0.03 0.00 -0.57 0.00 0.00 43.02 39.41 2aee s PHE 25 CO 0.52 -0.85 0.08 0.99 -0.10 0.00 0.00 175.22 175.86 2aee s THR 26 N -2.92 4.51 0.70 0.64 2.01 -1.26 -0.65 115.64 118.66 2aee s THR 26 Ca 0.58 -0.11 -0.09 0.00 0.31 0.00 0.00 61.69 62.38 2aee s THR 26 Cb -0.12 -3.10 0.16 0.00 0.01 0.00 0.00 72.50 69.44 2aee s THR 26 CO 0.47 0.35 0.95 0.79 -0.69 0.00 0.00 174.62 176.49 2aee n TRP 27 N 4.71 -3.67 -0.72 4.92 7.02 0.19 -4.97 117.44 124.92 2aee n TRP 27 Ca -0.16 -1.08 -0.28 0.00 -1.02 0.00 0.00 57.50 54.96 2aee n TRP 27 Cb 0.52 -0.73 0.24 0.00 -2.42 0.00 0.00 31.31 28.92 2aee n TRP 27 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2aee s ALA 28 N -3.68 -0.19 -0.42 6.99 0.00 -1.26 -3.94 121.76 119.26 2aee s ALA 28 Ca 0.57 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2aee s ALA 28 Cb -0.02 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.91 2aee s ALA 28 CO 0.39 -3.65 0.00 0.43 0.00 0.00 0.00 175.76 172.93 2aee n SER 29 N -4.77 -4.60 0.00 0.00 7.64 -1.26 -3.06 113.62 107.57 2aee n SER 29 Ca 0.03 0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2aee n SER 29 Cb 0.55 -2.45 0.00 0.00 -1.01 0.00 0.00 64.21 61.30 2aee n SER 29 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aee n GLY 30 N -1.01 0.72 3.71 0.23 0.00 -1.25 -5.01 105.19 102.58 2aee n GLY 30 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.82 4.89 0.01 -0.61 1.01 -1.17 -4.92 121.20 117.58 2aee s ILE 31 Ca 0.00 1.99 -0.15 0.00 0.00 0.00 0.00 60.65 62.49 2aee s ILE 31 Cb 0.00 -4.29 -0.06 0.00 0.01 0.00 0.00 42.46 38.12 2aee s ILE 31 CO 0.00 0.17 0.43 -0.54 0.00 0.00 0.00 174.94 175.01 2aee s LYS 32 N 0.98 3.97 -0.01 2.79 1.02 -1.26 0.56 119.74 127.78 2aee s LYS 32 Ca 0.50 0.47 0.01 0.00 0.02 0.00 0.00 55.97 56.97 2aee s LYS 32 Cb -0.21 -3.22 0.00 0.00 -0.52 0.00 0.00 37.83 33.88 2aee s LYS 32 CO 0.27 0.68 -0.04 0.45 -0.92 0.00 0.00 175.35 175.79 2aee s SER 33 N -1.07 0.62 0.00 2.83 0.15 0.18 -4.91 113.70 111.49 2aee s SER 33 Ca 0.25 -0.09 0.27 0.00 0.70 0.00 0.00 55.95 57.08 2aee s SER 33 Cb -0.17 -0.13 1.39 0.00 -1.71 0.00 0.00 66.02 65.39 2aee s SER 33 CO 0.14 0.03 1.93 -0.81 1.20 0.00 0.00 173.24 175.73 2aee n PRO 34 N 3.23 0.43 -4.57 5.44 -0.04 -1.26 -0.56 135.00 137.66 2aee n PRO 34 Ca -0.16 0.03 -0.22 0.00 -0.04 0.00 0.00 63.50 63.11 2aee n PRO 34 Cb 0.56 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.52 1.10 -0.05 0.52 2.07 -1.26 -0.52 121.20 120.55 2aee s ILE 35 Ca 0.27 -0.68 0.02 0.00 -1.41 0.00 0.00 60.65 58.85 2aee s ILE 35 Cb 0.18 -0.94 0.01 0.00 0.13 0.00 0.00 42.46 41.84 2aee s ILE 35 CO 0.40 0.24 -0.11 -0.47 -1.91 0.00 0.00 174.94 173.10 2aee s TYR 36 N -0.44 1.24 -0.09 3.50 6.14 -0.09 -4.90 117.35 122.72 2aee s TYR 36 Ca 0.05 -0.39 0.02 0.00 0.64 0.00 0.00 57.07 57.39 2aee s TYR 36 Cb -0.06 -0.91 0.01 0.00 0.42 0.00 0.00 41.96 41.42 2aee s TYR 36 CO -0.00 -0.20 -0.15 0.99 0.64 0.00 0.00 175.55 176.83 2aee s THR 37 N 0.48 1.43 -0.38 4.34 2.01 -1.26 -0.43 115.64 121.83 2aee s THR 37 Ca -0.10 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.29 2aee s THR 37 Cb -0.13 -1.29 0.15 0.00 0.01 0.00 0.00 72.50 71.24 2aee s THR 37 CO 0.02 0.42 0.30 -0.62 -0.69 0.00 0.00 174.62 174.06 2aee s ASP 38 N 0.72 1.96 0.00 3.53 2.15 0.26 -4.99 116.67 120.31 2aee s ASP 38 Ca -0.13 -2.25 0.26 0.00 0.43 0.00 0.00 52.55 50.86 2aee s ASP 38 Cb -0.16 -0.09 1.31 0.00 -0.30 0.00 0.00 42.92 43.68 2aee s ASP 38 CO 0.03 -0.25 1.87 0.59 -0.17 0.00 0.00 175.17 177.23 2aee n ASN 39 N 3.74 0.00 0.31 -0.34 3.02 -1.26 -1.87 115.26 118.85 2aee n ASN 39 Ca 0.17 -0.13 0.20 0.00 -0.03 0.00 0.00 54.58 54.78 2aee n ASN 39 Cb 0.42 -0.27 0.95 0.00 -0.61 0.00 0.00 39.78 40.28 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 -0.30 3.52 3.08 -1.93 -1.39 114.38 117.35 2aee h ARG 40 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2aee h ARG 40 Cb 0.22 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2aee h ARG 40 CO 0.00 0.01 0.05 0.28 -1.07 0.00 0.00 179.97 179.24 2aee h VAL 41 N 0.00 1.16 -0.29 2.04 2.07 -1.74 -2.48 116.25 117.01 2aee h VAL 41 Ca -0.00 -0.57 0.08 0.00 0.82 0.00 0.00 66.70 67.03 2aee h VAL 41 Cb 0.25 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2aee h VAL 41 CO 0.00 0.20 0.20 0.71 0.02 0.00 0.00 177.57 178.71 2aee h THR 42 N 0.43 0.87 0.00 2.57 1.35 -1.46 -1.39 112.91 115.28 2aee h THR 42 Ca 0.10 -0.01 -0.01 0.00 -0.55 0.00 0.00 66.41 65.95 2aee h THR 42 Cb 0.21 0.85 -0.00 0.00 -1.73 0.00 0.00 68.15 67.47 2aee h THR 42 CO -0.00 0.00 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.18 2aee h LEU 43 N 0.02 0.00 -1.26 3.87 3.38 -1.58 -1.80 115.31 117.94 2aee h LEU 43 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2aee h LEU 43 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2aee h LEU 43 CO -0.00 0.03 0.00 -1.20 0.09 0.00 0.00 178.44 177.35 2aee n SER 44 N -3.56 1.95 -3.83 -0.43 7.64 -0.52 -4.65 113.62 110.21 2aee n SER 44 Ca -0.03 -1.65 -0.30 0.00 1.01 0.00 0.00 58.87 57.91 2aee n SER 44 Cb 0.12 -0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.18 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 -2.00 2.60 0.32 1.43 1.51 -0.68 -5.01 117.35 115.51 2aee s TYR 45 Ca 0.35 -2.81 0.09 0.00 -1.01 0.00 0.00 57.07 53.69 2aee s TYR 45 Cb 0.21 -2.36 0.85 0.00 -0.11 0.00 0.00 41.96 40.54 2aee s TYR 45 CO 0.32 -0.76 1.75 -1.35 -1.11 0.00 0.00 175.55 174.40 2aee h PRO 46 N 6.60 0.62 -0.19 -1.71 0.11 -1.83 0.78 132.00 136.39 2aee h PRO 46 Ca -0.04 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2aee h PRO 46 Cb 0.91 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 2aee h PRO 46 CO 0.59 0.41 0.12 -0.22 -0.21 0.00 0.00 178.00 178.69 2aee h LYS 47 N 0.64 0.25 -0.31 1.05 3.64 -1.95 0.31 116.57 120.19 2aee h LYS 47 Ca 0.62 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.90 2aee h LYS 47 Cb 1.13 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 2aee h LYS 47 CO -0.43 0.17 -0.15 1.15 -2.27 0.00 0.00 179.45 177.91 2aee h THR 48 N 0.25 1.29 -0.47 1.00 2.02 -1.54 -2.58 112.91 112.88 2aee h THR 48 Ca 0.07 -1.26 0.02 0.00 0.77 0.00 0.00 66.41 66.02 2aee h THR 48 Cb -0.02 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 2aee h THR 48 CO -0.01 0.40 0.27 -0.09 0.37 0.00 0.00 175.52 176.46 2aee h ARG 49 N 0.42 0.53 -0.75 6.66 2.43 -0.75 -1.72 114.38 121.20 2aee h ARG 49 Ca 0.07 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2aee h ARG 49 Cb 0.68 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 2aee h ARG 49 CO 0.05 0.35 0.42 -0.44 -1.51 0.00 0.00 179.97 178.83 2aee h ASP 50 N 0.54 0.93 -0.24 -3.80 3.32 -0.37 0.91 116.42 117.71 2aee h ASP 50 Ca 0.19 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.19 2aee h ASP 50 Cb 0.03 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.31 2aee h ASP 50 CO -0.10 0.75 0.01 0.25 -1.72 0.00 0.00 179.24 178.43 2aee h LEU 51 N 1.03 -0.08 -0.11 1.55 5.85 -1.15 -0.99 115.31 121.41 2aee h LEU 51 Ca 0.26 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 2aee h LEU 51 Cb 0.02 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 2aee h LEU 51 CO -0.04 -0.01 0.01 0.40 -0.34 0.00 0.00 178.44 178.46 2aee h ILE 52 N 0.08 1.22 -0.48 4.05 2.04 -1.03 -1.21 117.51 122.19 2aee h ILE 52 Ca 0.11 -0.70 -0.10 0.00 1.00 0.00 0.00 64.86 65.18 2aee h ILE 52 Cb 0.14 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 2aee h ILE 52 CO -0.19 0.20 -0.07 -0.33 0.00 0.00 0.00 178.15 177.76 2aee h GLU 53 N -0.06 0.89 -0.63 2.37 4.39 -0.79 0.13 114.58 120.88 2aee h GLU 53 Ca 0.03 -0.32 -0.04 0.00 0.34 0.00 0.00 59.36 59.37 2aee h GLU 53 Cb 0.30 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 2aee h GLU 53 CO 0.00 0.97 0.25 -0.91 -1.16 0.00 0.00 179.01 178.16 2aee h ASN 54 N 0.74 0.84 -0.27 1.42 2.35 -1.26 -1.62 115.58 117.79 2aee h ASN 54 Ca 0.13 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 2aee h ASN 54 Cb 0.61 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 2aee h ASN 54 CO 0.04 0.76 0.09 1.23 -1.65 0.00 0.00 177.43 177.90 2aee h GLY 55 N 1.01 0.44 0.71 2.83 0.00 -0.59 -2.11 103.07 105.36 2aee h GLY 55 Ca 0.21 -0.25 0.03 0.00 0.00 0.00 0.00 47.33 47.32 2aee h GLY 55 CO -0.02 0.24 -0.03 0.74 0.00 0.00 0.00 176.54 177.47 2aee h PHE 56 N 0.28 -0.06 -0.80 5.60 0.04 -0.65 -0.99 116.94 120.37 2aee h PHE 56 Ca 0.09 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.92 2aee h PHE 56 Cb 0.22 0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.36 2aee h PHE 56 CO -0.00 -0.05 0.50 0.28 -0.60 0.00 0.00 178.31 178.44 2aee h VAL 57 N 0.02 1.08 -0.34 -0.55 2.07 -1.20 -0.64 116.25 116.68 2aee h VAL 57 Ca 0.08 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 2aee h VAL 57 Cb 0.11 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 2aee h VAL 57 CO -0.15 0.17 0.02 -0.08 0.02 0.00 0.00 177.57 177.55 2aee h GLU 58 N 0.95 0.59 0.00 1.57 4.81 -1.15 -1.83 114.58 119.52 2aee h GLU 58 Ca 0.33 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 2aee h GLU 58 Cb 0.08 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2aee h GLU 58 CO -0.14 0.70 -0.54 1.79 -0.73 0.00 0.00 179.01 180.09 2aee h THR 59 N 0.41 1.36 -0.17 0.32 1.35 -0.92 -2.05 112.91 113.21 2aee h THR 59 Ca 0.10 -1.87 -0.08 0.00 -0.55 0.00 0.00 66.41 64.01 2aee h THR 59 Cb 0.42 2.02 -0.00 0.00 -1.73 0.00 0.00 68.15 68.85 2aee h THR 59 CO 0.01 0.53 -0.21 0.40 -0.25 0.00 0.00 175.52 176.01 2aee h ILE 60 N 0.00 1.34 -0.73 6.82 2.04 -0.92 0.16 117.51 126.23 2aee h ILE 60 Ca -0.01 -1.40 0.05 0.00 1.00 0.00 0.00 64.86 64.51 2aee h ILE 60 Cb 0.97 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.87 2aee h ILE 60 CO 0.07 0.42 0.48 0.11 0.00 0.00 0.00 178.15 179.23 2aee h LYS 61 N 0.08 0.78 -0.00 2.37 1.57 -1.27 0.65 116.57 120.75 2aee h LYS 61 Ca 0.02 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 2aee h LYS 61 Cb 0.76 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.90 2aee h LYS 61 CO 0.05 0.51 -0.40 0.00 -0.57 0.00 0.00 179.45 179.04 2aee h ALA 62 N 1.60 0.05 0.09 3.86 0.00 -1.14 -3.27 119.26 120.44 2aee h ALA 62 Ca 0.31 -0.51 -0.34 0.00 0.00 0.00 0.00 54.91 54.37 2aee h ALA 62 Cb 0.19 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2aee h ALA 62 CO -0.10 0.20 -1.87 0.45 0.00 0.00 0.00 179.25 177.93 2aee h HIS 63 N -0.33 0.33 -1.96 0.00 3.86 -0.51 -3.41 115.15 113.12 2aee h HIS 63 Ca -0.05 -0.24 -0.53 0.00 -1.16 0.00 0.00 60.37 58.39 2aee h HIS 63 Cb 1.14 -0.01 -0.41 0.00 1.06 0.00 0.00 27.41 29.19 2aee h HIS 63 CO 0.17 1.51 -0.88 1.19 0.86 0.00 0.00 177.93 180.77 2aee n PHE 64 N -3.34 2.51 0.32 2.45 3.72 0.22 -4.94 117.46 118.41 2aee n PHE 64 Ca -0.26 -3.70 0.20 0.00 -0.05 0.00 0.00 57.45 53.65 2aee n PHE 64 Cb 1.05 -0.40 1.12 0.00 -0.94 0.00 0.00 39.48 40.31 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 2.93 0.00 -0.34 -1.08 0.13 -1.60 -1.44 132.00 130.59 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 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2aee h PRO 65 CO 0.70 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.62 2aee n GLU 66 N -3.34 2.08 -1.64 0.86 0.00 -1.26 -4.96 120.64 112.38 2aee n GLU 66 Ca -0.03 -1.64 -0.44 0.00 0.00 0.00 0.00 57.16 55.05 2aee n GLU 66 Cb 0.08 -1.42 -0.01 0.00 0.00 0.00 0.00 31.44 30.08 2aee n GLU 66 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 2aee n VAL 67 N 0.85 1.83 -0.00 3.84 3.14 -0.54 -4.82 118.33 122.62 2aee n VAL 67 Ca 0.17 -0.46 0.02 0.00 -2.96 0.00 0.00 64.34 61.11 2aee n VAL 67 Cb 0.43 -1.29 -0.03 0.00 -1.06 0.00 0.00 33.84 31.90 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 0.85 0.20 -3.76 1.45 1.02 0.18 -5.00 120.64 115.57 2aee n GLU 68 Ca 0.08 -0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 57.06 2aee n GLU 68 Cb 0.33 -1.09 -0.11 0.00 -0.02 0.00 0.00 31.44 30.55 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 -2.25 -0.00 -0.21 2.62 0.11 -0.56 -4.08 120.40 116.02 2aee s VAL 69 Ca -0.01 0.02 -0.08 0.00 -2.93 0.00 0.00 61.98 58.98 2aee s VAL 69 Cb 0.02 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 2aee s VAL 69 CO 0.15 0.01 0.08 -0.63 -3.33 0.00 0.00 175.10 171.38 2aee s ILE 70 N 0.32 4.73 -0.11 7.04 -1.09 -0.86 -2.03 121.20 129.21 2aee s ILE 70 Ca -0.01 -0.05 0.04 0.00 -2.23 0.00 0.00 60.65 58.40 2aee s ILE 70 Cb -0.03 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.69 2aee s ILE 70 CO -0.01 0.40 -0.23 0.00 -1.23 0.00 0.00 174.94 173.88 2aee s ALA 71 N 0.85 2.12 0.11 9.38 0.00 -0.49 -1.40 121.76 132.34 2aee s ALA 71 Ca 0.04 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 50.96 2aee s ALA 71 Cb -0.14 -0.83 -0.06 0.00 0.00 0.00 0.00 23.12 22.09 2aee s ALA 71 CO 0.02 0.21 0.42 0.20 0.00 0.00 0.00 175.76 176.61 2aee s GLY 72 N 0.47 2.32 -0.09 0.00 0.00 -0.73 -0.49 107.32 108.79 2aee s GLY 72 Ca -0.16 -0.40 -0.26 0.00 0.00 0.00 0.00 44.72 43.90 2aee s GLY 72 CO 0.06 -0.21 0.82 -1.59 0.00 0.00 0.00 173.10 172.18 2aee s THR 73 N -1.50 4.93 0.33 0.90 2.01 -0.59 -1.23 115.64 120.48 2aee s THR 73 Ca 0.36 1.67 -0.29 0.00 0.31 0.00 0.00 61.69 63.75 2aee s THR 73 Cb -0.13 -4.15 -0.10 0.00 0.01 0.00 0.00 72.50 68.13 2aee s THR 73 CO 0.20 0.13 1.35 0.00 -0.69 0.00 0.00 174.62 175.62 2aee s ALA 74 N 1.43 3.53 -0.20 7.40 0.00 -0.62 -1.63 121.76 131.66 2aee s ALA 74 Ca 0.41 1.32 0.10 0.00 0.00 0.00 0.00 51.96 53.79 2aee s ALA 74 Cb -0.18 -3.51 -0.19 0.00 0.00 0.00 0.00 23.12 19.24 2aee s ALA 74 CO 0.18 -0.72 -0.06 2.41 0.00 0.00 0.00 175.76 177.57 2aee n THR 75 N 0.98 1.29 0.27 0.00 -1.04 -1.26 -4.74 114.28 109.78 2aee n THR 75 Ca 0.01 -0.65 0.11 0.00 -2.04 0.00 0.00 64.05 61.48 2aee n THR 75 Cb 0.41 -0.88 0.74 0.00 -1.82 0.00 0.00 70.33 68.78 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 0.49 1.84 0.00 2.41 0.00 -1.99 -1.44 119.26 120.58 2aee h ALA 76 Ca -0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2aee h ALA 76 Cb 1.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.77 2aee h ALA 76 CO -0.02 -0.02 -0.34 0.41 0.00 0.00 0.00 179.25 179.28 2aee n GLY 77 N -1.46 -1.43 0.09 0.00 0.00 -0.65 -4.29 105.19 97.45 2aee n GLY 77 Ca -0.03 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 1.19 -0.57 -0.61 2.04 -1.19 -1.09 117.51 117.29 2aee h ILE 78 Ca 0.00 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 2aee h ILE 78 Cb 0.61 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 2aee h ILE 78 CO 0.00 0.17 0.30 -0.65 0.00 0.00 0.00 178.15 177.96 2aee h PRO 79 N -0.03 0.81 0.02 2.37 0.11 -1.75 0.23 132.00 133.75 2aee h PRO 79 Ca 0.03 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 2aee h PRO 79 Cb 0.24 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.20 2aee h PRO 79 CO -0.00 0.64 -0.01 0.45 -0.21 0.00 0.00 178.00 178.87 2aee h HIS 80 N 0.77 -0.02 -1.00 0.65 3.86 -1.79 -2.40 115.15 115.23 2aee h HIS 80 Ca 0.20 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.49 2aee h HIS 80 Cb 0.08 0.01 -0.07 0.00 1.06 0.00 0.00 27.41 28.48 2aee h HIS 80 CO -0.01 0.06 0.64 0.78 0.86 0.00 0.00 177.93 180.27 2aee h GLY 81 N -0.10 1.55 0.88 2.45 0.00 -0.81 -1.37 103.07 105.68 2aee h GLY 81 Ca -0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 2aee h GLY 81 CO 0.00 0.28 -0.02 0.00 0.00 0.00 0.00 176.54 176.80 2aee h ALA 82 N 1.48 0.39 -0.57 3.60 0.00 -0.77 -1.12 119.26 122.28 2aee h ALA 82 Ca 0.45 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2aee h ALA 82 Cb 0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2aee h ALA 82 CO -0.20 0.16 0.37 0.82 0.00 0.00 0.00 179.25 180.41 2aee h ILE 83 N 0.30 1.13 -0.52 0.00 2.04 -1.02 -1.33 117.51 118.10 2aee h ILE 83 Ca 0.08 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.71 2aee h ILE 83 Cb 0.47 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 2aee h ILE 83 CO 0.02 0.14 0.31 0.40 0.00 0.00 0.00 178.15 179.02 2aee h ILE 84 N 0.76 1.05 -0.60 -0.67 2.04 -1.06 -0.73 117.51 118.30 2aee h ILE 84 Ca 0.21 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2aee h ILE 84 Cb -0.06 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 2aee h ILE 84 CO -0.06 0.11 0.27 0.00 0.00 0.00 0.00 178.15 178.47 2aee h ALA 85 N 1.24 0.77 -0.10 1.87 0.00 -0.91 -1.15 119.26 120.98 2aee h ALA 85 Ca 0.21 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2aee h ALA 85 Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2aee h ALA 85 CO -0.10 0.36 -0.00 0.22 0.00 0.00 0.00 179.25 179.73 2aee h ASP 86 N 0.82 -0.04 -0.53 0.00 3.58 -0.92 -0.60 116.42 118.73 2aee h ASP 86 Ca 0.20 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.68 2aee h ASP 86 Cb 0.16 0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 2aee h ASP 86 CO -0.02 -0.01 0.34 0.11 -2.88 0.00 0.00 179.24 176.78 2aee h LYS 87 N 0.03 0.73 -0.04 0.28 1.57 -0.85 -2.42 116.57 115.86 2aee h LYS 87 Ca 0.05 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2aee h LYS 87 Cb 0.06 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2aee h LYS 87 CO -0.08 0.50 0.00 -1.33 -0.57 0.00 0.00 179.45 177.97 2aee n MET 88 N -4.43 1.85 -3.91 3.15 2.81 -0.46 -4.94 117.12 111.18 2aee n MET 88 Ca 0.05 -1.23 -0.25 0.00 -1.81 0.00 0.00 57.70 54.46 2aee n MET 88 Cb 0.07 -1.47 -0.01 0.00 -0.71 0.00 0.00 33.22 31.10 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 0.49 -3.25 -4.35 2.03 -1.04 -0.35 -5.01 114.28 102.81 2aee n THR 89 Ca 0.18 -0.46 -0.28 0.00 -2.04 0.00 0.00 64.05 61.44 2aee n THR 89 Cb 0.42 -2.86 -0.11 0.00 -1.82 0.00 0.00 70.33 65.95 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 -6.93 2.59 0.32 -4.42 1.43 -0.52 -5.05 118.68 106.11 2aee s LEU 90 Ca 0.06 -0.68 -0.26 0.00 -1.03 0.00 0.00 54.13 52.21 2aee s LEU 90 Cb -0.03 -1.40 -0.14 0.00 0.03 0.00 0.00 46.19 44.66 2aee s LEU 90 CO 0.87 0.15 0.86 -2.65 0.23 0.00 0.00 176.35 175.81 2aee n PRO 91 N 0.56 1.03 -4.50 1.29 -0.02 -1.26 -4.57 135.00 127.52 2aee n PRO 91 Ca -0.15 0.36 -0.31 0.00 -2.02 0.00 0.00 63.50 61.39 2aee n PRO 91 Cb 0.54 -1.70 -0.11 0.00 -0.02 0.00 0.00 33.50 32.21 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 -1.17 2.73 0.11 6.00 5.36 -1.26 -2.03 117.98 127.73 2aee s PHE 92 Ca 0.61 -0.15 -0.01 0.00 -0.96 0.00 0.00 56.93 56.42 2aee s PHE 92 Cb -0.69 -1.52 -0.04 0.00 -0.34 0.00 0.00 43.02 40.43 2aee s PHE 92 CO 0.59 0.33 0.04 0.00 -1.46 0.00 0.00 175.22 174.72 2aee s ALA 93 N -1.00 0.75 0.12 11.12 0.00 -0.49 -4.64 121.76 127.62 2aee s ALA 93 Ca 0.17 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 50.75 2aee s ALA 93 Cb -0.11 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 2aee s ALA 93 CO 0.08 -0.46 -0.05 1.52 0.00 0.00 0.00 175.76 176.84 2aee s TYR 94 N -4.01 0.97 -0.22 0.00 -0.85 -0.29 -1.77 117.35 111.18 2aee s TYR 94 Ca 0.20 -0.93 0.01 0.00 -0.52 0.00 0.00 57.07 55.83 2aee s TYR 94 Cb 0.08 -0.56 0.05 0.00 0.38 0.00 0.00 41.96 41.91 2aee s TYR 94 CO -0.01 -0.16 -0.11 0.42 -1.52 0.00 0.00 175.55 174.17 2aee s ILE 95 N -3.62 1.81 0.79 -3.49 1.01 -0.37 -0.08 121.20 117.25 2aee s ILE 95 Ca 0.15 -1.20 -0.11 0.00 0.00 0.00 0.00 60.65 59.49 2aee s ILE 95 Cb 0.05 -1.89 0.07 0.00 0.01 0.00 0.00 42.46 40.70 2aee s ILE 95 CO -0.03 0.12 1.10 -0.13 0.00 0.00 0.00 174.94 176.00 2aee s ARG 96 N 1.31 2.11 0.28 2.79 0.52 0.49 -1.59 118.95 124.84 2aee s ARG 96 Ca -0.03 1.23 0.02 0.00 -0.52 0.00 0.00 55.73 56.43 2aee s ARG 96 Cb -0.17 -1.87 0.40 0.00 0.52 0.00 0.00 34.95 33.82 2aee s ARG 96 CO -0.08 -1.77 1.73 0.77 0.02 0.00 0.00 175.30 175.97 2aee h SER 97 N -1.18 0.54 -5.09 0.23 0.02 -1.89 -3.46 113.55 102.71 2aee h SER 97 Ca -0.44 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.25 2aee h SER 97 Cb 1.24 -0.15 -0.16 0.00 0.14 0.00 0.00 62.40 63.48 2aee h SER 97 CO 0.50 0.75 -0.29 -1.59 -1.14 0.00 0.00 176.83 175.06 2aee s LYS 98 N -4.58 0.83 0.72 3.45 -2.85 -1.26 -5.03 119.74 111.01 2aee s LYS 98 Ca -0.07 -0.69 -0.16 0.00 -1.00 0.00 0.00 55.97 54.05 2aee s LYS 98 Cb 0.14 0.35 -0.01 0.00 -2.06 0.00 0.00 37.83 36.25 2aee s LYS 98 CO 0.79 -0.27 0.79 -2.30 0.10 0.00 0.00 175.35 174.47 2aee n PRO 99 N 0.31 0.41 0.23 1.78 -0.02 -1.26 -4.87 135.00 131.59 2aee n PRO 99 Ca -0.17 0.19 0.08 0.00 -2.02 0.00 0.00 63.50 61.58 2aee n PRO 99 Cb 0.61 -2.06 0.57 0.00 -0.02 0.00 0.00 33.50 32.59 2aee n PRO 99 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2aee h LYS 100 N -0.31 0.00 -1.61 -0.52 1.57 -2.01 -3.51 116.57 110.19 2aee h LYS 100 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2aee h LYS 100 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2aee h LYS 100 CO 0.45 0.20 0.00 0.41 -0.57 0.00 0.00 179.45 179.94 2aee n GLY 105 N -0.72 0.00 0.00 3.86 0.00 -1.26 -5.14 105.19 101.93 2aee n GLY 105 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2aee n GLY 105 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2aee n ASN 106 N 0.32 0.00 -0.05 1.61 2.04 -1.26 -5.06 115.26 112.87 2aee n ASN 106 Ca 0.00 -0.66 -0.00 0.00 -0.44 0.00 0.00 54.58 53.48 2aee n ASN 106 Cb 0.00 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.11 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 0.00 0.92 -2.83 -3.83 6.02 -1.26 -4.48 117.38 111.92 2aee n GLN 107 Ca 0.00 -0.08 -0.41 0.00 -0.01 0.00 0.00 57.00 56.49 2aee n GLN 107 Cb 0.17 -1.43 -0.04 0.00 1.02 0.00 0.00 30.24 29.96 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 -2.81 4.88 -0.09 5.09 1.09 -1.26 -0.38 121.20 127.73 2aee s ILE 108 Ca -0.08 1.80 -0.01 0.00 -1.10 0.00 0.00 60.65 61.27 2aee s ILE 108 Cb 0.08 -4.21 -0.03 0.00 -1.06 0.00 0.00 42.46 37.24 2aee s ILE 108 CO 0.72 0.09 -0.04 -1.61 -0.10 0.00 0.00 174.94 174.01 2aee s GLU 109 N 1.60 2.98 0.00 2.79 0.41 0.89 -4.94 118.70 122.43 2aee s GLU 109 Ca 0.44 -0.50 0.00 0.00 -0.41 0.00 0.00 54.97 54.50 2aee s GLU 109 Cb -0.18 -2.71 0.00 0.00 -1.78 0.00 0.00 34.13 29.46 2aee s GLU 109 CO 0.18 0.61 0.00 0.41 -0.49 0.00 0.00 175.26 175.97 2aee n GLY 110 N 2.42 -0.55 2.72 -1.39 0.00 -1.26 -1.13 105.19 106.00 2aee n GLY 110 Ca -0.18 -2.17 -0.22 0.00 0.00 0.00 0.00 46.02 43.45 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 0.28 -0.09 1.61 3.52 -1.26 -5.05 118.95 117.95 2aee s ARG 111 Ca 0.00 0.24 0.02 0.00 -0.13 0.00 0.00 55.73 55.86 2aee s ARG 111 Cb 0.00 -0.75 0.01 0.00 -1.56 0.00 0.00 34.95 32.65 2aee s ARG 111 CO 0.00 -0.32 -0.15 0.08 -0.81 0.00 0.00 175.30 174.10 2aee s VAL 112 N 2.07 1.43 0.35 7.11 1.01 -1.26 -4.97 120.40 126.13 2aee s VAL 112 Ca 0.05 -0.62 -0.21 0.00 0.00 0.00 0.00 61.98 61.20 2aee s VAL 112 Cb -0.12 -1.30 -0.10 0.00 0.00 0.00 0.00 36.38 34.86 2aee s VAL 112 CO -0.04 0.42 0.87 -0.76 0.00 0.00 0.00 175.10 175.59 2aee s LEU 113 N 0.84 4.13 0.13 3.92 1.43 -1.26 -4.97 118.68 122.89 2aee s LEU 113 Ca -0.10 1.59 -0.34 0.00 -1.03 0.00 0.00 54.13 54.25 2aee s LEU 113 Cb -0.15 -4.17 -0.14 0.00 0.03 0.00 0.00 46.19 41.76 2aee s LEU 113 CO 0.01 -0.19 1.56 1.17 0.23 0.00 0.00 176.35 179.12 2aee n LYS 114 N -0.08 1.97 -0.58 1.70 4.81 -1.26 -1.86 118.16 122.85 2aee n LYS 114 Ca 0.04 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 2aee n LYS 114 Cb 0.52 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.11 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 3.33 1.02 3.74 3.14 0.00 0.93 -5.01 105.19 112.34 2aee n GLY 115 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2aee n GLY 115 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2aee s GLN 116 N -0.32 4.32 -0.23 1.61 0.74 -0.78 -4.40 119.66 120.61 2aee s GLN 116 Ca 0.00 2.17 -0.26 0.00 0.05 0.00 0.00 55.36 57.33 2aee s GLN 116 Cb 0.00 -3.16 -0.00 0.00 1.10 0.00 0.00 33.01 30.95 2aee s GLN 116 CO 0.00 -0.35 0.89 0.15 -0.55 0.00 0.00 175.29 175.42 2aee s LYS 117 N -0.07 4.22 -0.02 1.67 1.02 -1.26 -0.79 119.74 124.51 2aee s LYS 117 Ca 0.59 1.06 0.08 0.00 0.02 0.00 0.00 55.97 57.72 2aee s LYS 117 Cb -0.39 -3.64 -0.02 0.00 -0.52 0.00 0.00 37.83 33.26 2aee s LYS 117 CO 0.39 -0.53 -0.26 1.41 -0.92 0.00 0.00 175.35 175.45 2aee s MET 118 N 2.86 2.09 -0.13 1.68 -2.45 0.48 0.47 119.30 124.31 2aee s MET 118 Ca 0.38 -0.94 -0.00 0.00 -1.25 0.00 0.00 55.69 53.88 2aee s MET 118 Cb -0.15 -2.04 -0.02 0.00 1.25 0.00 0.00 34.83 33.87 2aee s MET 118 CO 0.08 0.56 -0.13 0.08 1.05 0.00 0.00 175.02 176.65 2aee s VAL 119 N -0.63 3.07 -0.19 10.11 1.01 -0.86 0.56 120.40 133.47 2aee s VAL 119 Ca 0.10 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 2aee s VAL 119 Cb -0.10 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 2aee s VAL 119 CO -0.01 0.53 0.12 -0.63 0.00 0.00 0.00 175.10 175.11 2aee s ILE 120 N 0.32 5.32 -0.18 2.22 1.01 -0.56 -1.39 121.20 127.95 2aee s ILE 120 Ca -0.10 0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.63 2aee s ILE 120 Cb -0.16 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2aee s ILE 120 CO 0.06 0.45 0.08 -0.63 0.00 0.00 0.00 174.94 174.89 2aee s ILE 121 N 0.31 4.93 0.16 2.92 -1.09 0.36 -1.23 121.20 127.56 2aee s ILE 121 Ca 0.08 0.02 0.05 0.00 -2.23 0.00 0.00 60.65 58.57 2aee s ILE 121 Cb -0.11 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.50 2aee s ILE 121 CO -0.02 0.46 -0.11 -0.70 -1.23 0.00 0.00 174.94 173.34 2aee s GLU 122 N 0.34 1.11 0.00 2.79 2.56 -0.47 -1.54 118.70 123.49 2aee s GLU 122 Ca 0.04 -1.46 0.00 0.00 0.00 0.00 0.00 54.97 53.56 2aee s GLU 122 Cb -0.12 -0.76 0.00 0.00 2.00 0.00 0.00 34.13 35.25 2aee s GLU 122 CO -0.00 0.11 0.00 -3.47 -0.56 0.00 0.00 175.26 171.34 2aee n ASP 123 N -0.16 0.00 -4.35 -1.70 -0.08 -1.26 -2.51 116.55 106.50 2aee n ASP 123 Ca -0.10 0.16 -0.33 0.00 -1.51 0.00 0.00 54.79 53.01 2aee n ASP 123 Cb 0.60 -0.48 -0.15 0.00 2.34 0.00 0.00 41.12 43.43 2aee n ASP 123 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2aee s LEU 124 N -4.57 2.58 -0.36 -2.67 2.96 -1.26 -0.91 118.68 114.45 2aee s LEU 124 Ca 0.00 -0.37 -0.17 0.00 -0.22 0.00 0.00 54.13 53.37 2aee s LEU 124 Cb 0.00 -1.56 -0.00 0.00 0.50 0.00 0.00 46.19 45.13 2aee s LEU 124 CO 0.00 0.18 0.45 -0.63 -1.32 0.00 0.00 176.35 175.03 2aee s ILE 125 N 0.25 5.08 0.00 6.68 -1.09 0.13 -4.90 121.20 127.34 2aee s ILE 125 Ca -0.11 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.47 2aee s ILE 125 Cb -0.16 -3.92 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 2aee s ILE 125 CO 0.06 -0.20 0.00 -1.20 -1.23 0.00 0.00 174.94 172.37 2aee n SER 126 N 5.61 0.00 0.10 3.58 7.64 -1.26 -1.91 113.62 127.37 2aee n SER 126 Ca -0.07 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.86 2aee n SER 126 Cb 0.49 -0.07 -0.01 0.00 -1.01 0.00 0.00 64.21 63.61 2aee n SER 126 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2aee h THR 127 N 0.00 0.44 0.00 0.44 1.35 -1.95 -3.40 112.91 109.80 2aee h THR 127 Ca 0.00 -1.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 2aee h THR 127 Cb 0.00 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2aee h THR 127 CO 0.00 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.13 2aee n GLY 128 N 1.27 1.67 0.25 5.82 0.00 -1.26 -4.06 105.19 108.88 2aee n GLY 128 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 0.85 0.97 -0.02 0.00 -1.97 0.51 103.07 103.40 2aee h GLY 129 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2aee h GLY 129 CO 0.00 -0.18 -0.09 1.76 0.00 0.00 0.00 176.54 178.03 2aee h SER 130 N 0.22 -0.22 0.44 0.19 0.02 -1.98 0.10 113.55 112.32 2aee h SER 130 Ca 0.36 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.16 2aee h SER 130 Cb 0.59 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2aee h SER 130 CO -0.49 -0.13 -0.57 1.62 -1.14 0.00 0.00 176.83 176.12 2aee h VAL 131 N -0.29 1.39 -0.72 2.27 3.04 -1.89 -1.11 116.25 118.94 2aee h VAL 131 Ca -0.03 -1.92 -0.07 0.00 -1.01 0.00 0.00 66.70 63.67 2aee h VAL 131 Cb 0.22 1.99 -0.03 0.00 -2.01 0.00 0.00 31.29 31.46 2aee h VAL 131 CO 0.04 0.56 0.18 -0.07 -1.01 0.00 0.00 177.57 177.28 2aee h LEU 132 N 0.10 1.08 -0.98 3.16 3.38 -0.75 -0.30 115.31 121.01 2aee h LEU 132 Ca -0.00 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 2aee h LEU 132 Cb 1.04 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2aee h LEU 132 CO 0.08 1.03 -0.04 0.44 0.09 0.00 0.00 178.44 180.04 2aee h ASP 133 N 1.08 0.67 -0.66 -0.43 3.32 -0.52 -1.47 116.42 118.42 2aee h ASP 133 Ca 0.23 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.14 2aee h ASP 133 Cb 0.36 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 2aee h ASP 133 CO 0.00 0.77 0.42 0.00 -1.72 0.00 0.00 179.24 178.70 2aee h ALA 134 N 1.31 0.85 -0.66 3.45 0.00 -0.78 -0.95 119.26 122.48 2aee h ALA 134 Ca 0.12 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2aee h ALA 134 Cb 0.46 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2aee h ALA 134 CO 0.02 0.19 0.18 0.00 0.00 0.00 0.00 179.25 179.65 2aee h ALA 135 N 1.27 0.87 -0.32 0.00 0.00 -0.78 -0.55 119.26 119.75 2aee h ALA 135 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2aee h ALA 135 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2aee h ALA 135 CO -0.09 0.57 0.21 0.00 0.00 0.00 0.00 179.25 179.94 2aee h ALA 136 N 1.07 0.41 -0.65 0.00 0.00 -0.91 -0.98 119.26 118.21 2aee h ALA 136 Ca 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2aee h ALA 136 Cb 0.33 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2aee h ALA 136 CO -0.00 -0.11 0.35 0.00 0.00 0.00 0.00 179.25 179.49 2aee h ALA 137 N 1.11 0.84 -0.51 0.00 0.00 -1.00 -0.85 119.26 118.84 2aee h ALA 137 Ca 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2aee h ALA 137 Cb -0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2aee h ALA 137 CO -0.02 0.36 0.28 0.00 0.00 0.00 0.00 179.25 179.87 2aee h ALA 138 N 1.17 0.65 -0.78 0.00 0.00 -0.79 -1.40 119.26 118.10 2aee h ALA 138 Ca 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2aee h ALA 138 Cb 0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2aee h ALA 138 CO -0.04 0.16 0.42 0.77 0.00 0.00 0.00 179.25 180.56 2aee h SER 139 N 0.67 0.98 -0.93 0.00 0.02 -0.90 -1.05 113.55 112.35 2aee h SER 139 Ca 0.18 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2aee h SER 139 Cb 0.03 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.28 2aee h SER 139 CO -0.03 0.81 0.62 0.03 -1.14 0.00 0.00 176.83 177.11 2aee h ARG 140 N 1.09 1.22 -0.22 3.45 3.08 -0.66 -2.48 114.38 119.86 2aee h ARG 140 Ca 0.27 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2aee h ARG 140 Cb 0.05 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.82 2aee h ARG 140 CO -0.04 0.81 0.00 0.39 -1.07 0.00 0.00 179.97 180.06 2aee n GLU 141 N -4.39 1.59 0.00 0.04 1.02 -0.57 -4.85 120.64 113.47 2aee n GLU 141 Ca 0.11 -0.90 0.00 0.00 -0.02 0.00 0.00 57.16 56.34 2aee n GLU 141 Cb 0.02 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 0.96 0.83 3.75 0.62 0.00 -0.89 -4.83 105.19 105.64 2aee n GLY 142 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 2.63 -0.59 4.61 0.00 -0.45 -0.05 121.76 125.91 2aee s ALA 143 Ca 0.00 1.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.96 2aee s ALA 143 Cb 0.00 -3.49 0.15 0.00 0.00 0.00 0.00 23.12 19.78 2aee s ALA 143 CO 0.00 -1.24 0.51 0.34 0.00 0.00 0.00 175.76 175.37 2aee s ASP 144 N -1.36 6.09 -0.30 0.00 2.15 0.03 -4.32 116.67 118.96 2aee s ASP 144 Ca 0.75 -2.12 -0.29 0.00 0.43 0.00 0.00 52.55 51.32 2aee s ASP 144 Cb -0.34 -2.12 0.01 0.00 -0.30 0.00 0.00 42.92 40.17 2aee s ASP 144 CO 0.38 -0.70 1.23 -0.69 -0.17 0.00 0.00 175.17 175.22 2aee s VAL 145 N 1.07 4.26 0.10 1.11 1.01 -1.26 -0.38 120.40 126.30 2aee s VAL 145 Ca 0.08 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.50 2aee s VAL 145 Cb -0.24 -4.23 -0.25 0.00 0.00 0.00 0.00 36.38 31.66 2aee s VAL 145 CO -0.01 -0.46 1.20 -0.07 0.00 0.00 0.00 175.10 175.75 2aee h LEU 146 N 10.57 0.25 0.00 3.92 3.38 -0.24 -3.47 115.31 129.72 2aee h LEU 146 Ca -0.24 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2aee h LEU 146 Cb 1.09 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2aee h LEU 146 CO 1.03 1.21 0.00 0.61 0.09 0.00 0.00 178.44 181.38 2aee n GLY 147 N 1.44 -1.92 3.20 0.83 0.00 -1.24 -4.46 105.19 103.05 2aee n GLY 147 Ca -0.05 -1.18 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.49 1.55 -0.06 1.61 1.01 -0.19 -1.49 120.40 120.33 2aee s VAL 148 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.15 2aee s VAL 148 Cb 0.00 -1.29 -0.00 0.00 0.00 0.00 0.00 36.38 35.09 2aee s VAL 148 CO 0.00 0.40 -0.20 -0.69 0.00 0.00 0.00 175.10 174.61 2aee s VAL 149 N -0.50 1.70 0.22 2.92 1.01 -0.36 -0.51 120.40 124.88 2aee s VAL 149 Ca 0.07 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.28 2aee s VAL 149 Cb -0.08 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 2aee s VAL 149 CO -0.00 0.48 -0.12 0.00 0.00 0.00 0.00 175.10 175.45 2aee s ALA 150 N 0.16 2.09 0.10 5.51 0.00 -0.24 -1.37 121.76 128.01 2aee s ALA 150 Ca -0.09 -1.72 -0.15 0.00 0.00 0.00 0.00 51.96 50.01 2aee s ALA 150 Cb -0.14 -0.02 -0.08 0.00 0.00 0.00 0.00 23.12 22.88 2aee s ALA 150 CO 0.05 0.03 1.43 0.82 0.00 0.00 0.00 175.76 178.09 2aee h ILE 151 N 2.50 1.30 -2.84 0.00 2.04 -0.72 -1.42 117.51 118.36 2aee h ILE 151 Ca -0.38 -1.45 -0.09 0.00 1.00 0.00 0.00 64.86 63.93 2aee h ILE 151 Cb 1.22 1.56 -0.19 0.00 -0.74 0.00 0.00 36.82 38.68 2aee h ILE 151 CO 0.63 0.47 -0.12 0.12 0.00 0.00 0.00 178.15 179.24 2aee s PHE 152 N -4.38 -0.30 -0.00 1.37 5.36 -0.89 -1.25 117.98 117.89 2aee s PHE 152 Ca -0.12 0.41 0.02 0.00 -0.96 0.00 0.00 56.93 56.27 2aee s PHE 152 Cb 0.09 0.20 -0.00 0.00 -0.34 0.00 0.00 43.02 42.97 2aee s PHE 152 CO 0.83 -0.50 -0.05 -0.08 -1.46 0.00 0.00 175.22 173.96 2aee s THR 153 N -1.74 0.40 -1.89 0.12 -1.32 -1.18 -0.70 115.64 109.33 2aee s THR 153 Ca -0.10 -0.21 0.21 0.00 -1.21 0.00 0.00 61.69 60.38 2aee s THR 153 Cb -0.03 -0.34 0.56 0.00 -1.51 0.00 0.00 72.50 71.18 2aee s THR 153 CO 0.03 0.12 1.66 -1.22 -2.21 0.00 0.00 174.62 172.99 2aee n TYR 154 N 2.98 0.00 -3.14 9.09 4.01 -0.80 -1.51 117.16 127.79 2aee n TYR 154 Ca -0.13 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.38 2aee n TYR 154 Cb 0.58 -0.05 0.02 0.00 -0.31 0.00 0.00 39.34 39.58 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 -1.05 -4.40 -2.20 -0.72 1.02 -1.26 -4.76 120.64 107.27 2aee n GLU 155 Ca 0.15 0.76 -0.41 0.00 -0.02 0.00 0.00 57.16 57.64 2aee n GLU 155 Cb 0.09 -5.57 -0.03 0.00 -0.02 0.00 0.00 31.44 25.91 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 -6.62 4.43 0.45 -4.62 1.02 -1.26 -4.90 118.68 107.20 2aee s LEU 156 Ca 0.34 2.51 0.15 0.00 0.02 0.00 0.00 54.13 57.14 2aee s LEU 156 Cb -0.16 -3.63 1.09 0.00 0.02 0.00 0.00 46.19 43.52 2aee s LEU 156 CO 0.41 -0.49 2.00 -0.65 0.02 0.00 0.00 176.35 177.64 2aee h PRO 157 N 4.46 0.31 -0.37 1.29 0.11 -1.92 -1.75 132.00 134.14 2aee h PRO 157 Ca -0.47 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.64 2aee h PRO 157 Cb 1.22 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2aee h PRO 157 CO 0.72 0.21 0.24 -0.22 -0.21 0.00 0.00 178.00 178.74 2aee h LYS 158 N 0.32 0.45 -0.35 1.05 1.63 -1.92 -1.93 116.57 115.83 2aee h LYS 158 Ca 0.24 -0.03 -0.11 0.00 -0.85 0.00 0.00 60.65 59.90 2aee h LYS 158 Cb 0.51 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 2aee h LYS 158 CO -0.06 0.30 -0.22 0.00 -3.45 0.00 0.00 179.45 176.03 2aee h ALA 159 N 1.78 0.50 -0.11 5.00 0.00 -1.46 -0.93 119.26 124.03 2aee h ALA 159 Ca 0.14 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.70 2aee h ALA 159 Cb -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2aee h ALA 159 CO -0.03 0.46 -0.03 0.77 0.00 0.00 0.00 179.25 180.42 2aee h SER 160 N 0.54 -0.11 -0.38 0.00 0.02 -1.43 -0.66 113.55 111.54 2aee h SER 160 Ca 0.07 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 2aee h SER 160 Cb 0.77 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.34 2aee h SER 160 CO 0.06 -0.04 0.10 -0.61 -1.14 0.00 0.00 176.83 175.19 2aee h GLN 161 N -0.01 0.22 -0.28 3.45 4.15 -1.28 -1.30 115.11 120.06 2aee h GLN 161 Ca 0.05 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.47 2aee h GLN 161 Cb 0.09 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 2aee h GLN 161 CO -0.11 0.15 0.15 -0.91 -1.93 0.00 0.00 178.83 176.17 2aee h ASN 162 N 0.23 0.24 -0.26 -0.69 -0.26 -0.78 -0.33 115.58 113.72 2aee h ASN 162 Ca 0.18 0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.88 2aee h ASN 162 Cb 0.19 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.40 2aee h ASN 162 CO -0.21 0.18 -0.01 -0.26 -1.06 0.00 0.00 177.43 176.06 2aee h PHE 163 N 0.31 0.52 0.03 1.19 -1.00 -0.97 -1.54 116.94 115.49 2aee h PHE 163 Ca 0.11 -0.10 0.01 0.00 2.81 0.00 0.00 57.97 60.80 2aee h PHE 163 Cb 0.01 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.43 2aee h PHE 163 CO -0.08 0.65 -0.07 -0.22 -1.61 0.00 0.00 178.31 176.97 2aee h LYS 164 N 0.25 -0.14 -0.33 1.51 3.64 -1.17 -0.58 116.57 119.75 2aee h LYS 164 Ca 0.07 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 2aee h LYS 164 Cb 0.45 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 2aee h LYS 164 CO 0.02 -0.09 0.22 0.93 -2.27 0.00 0.00 179.45 178.26 2aee h GLU 165 N -0.14 0.38 0.00 1.90 5.08 -1.08 -1.68 114.58 119.04 2aee h GLU 165 Ca 0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2aee h GLU 165 Cb 0.16 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2aee h GLU 165 CO -0.05 0.25 0.00 0.00 -1.00 0.00 0.00 179.01 178.21 2aee h ALA 166 N 1.80 1.00 -1.44 3.43 0.00 -0.91 -3.48 119.26 119.66 2aee h ALA 166 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 2aee h ALA 166 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2aee h ALA 166 CO -0.03 0.00 -0.21 0.41 0.00 0.00 0.00 179.25 179.42 2aee n GLY 167 N 1.04 0.11 3.33 0.00 0.00 -0.31 -5.03 105.19 104.32 2aee n GLY 167 Ca 0.04 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.53 2.86 0.10 -0.61 1.01 -0.73 -5.04 121.20 116.26 2aee s ILE 168 Ca 0.04 -0.72 -0.30 0.00 0.00 0.00 0.00 60.65 59.67 2aee s ILE 168 Cb -0.02 -2.19 -0.06 0.00 0.01 0.00 0.00 42.46 40.20 2aee s ILE 168 CO 0.05 0.52 1.04 -0.75 0.00 0.00 0.00 174.94 175.80 2aee s LYS 169 N 0.50 4.60 -0.09 2.79 2.20 -1.26 -4.53 119.74 123.95 2aee s LYS 169 Ca -0.10 1.56 0.04 0.00 -0.36 0.00 0.00 55.97 57.11 2aee s LYS 169 Cb -0.16 -3.37 -0.01 0.00 -1.51 0.00 0.00 37.83 32.79 2aee s LYS 169 CO 0.04 0.05 -0.21 -1.17 -0.36 0.00 0.00 175.35 173.70 2aee s LEU 170 N 0.30 2.28 0.03 5.43 2.96 -1.26 -1.02 118.68 127.39 2aee s LEU 170 Ca 0.50 -0.47 0.08 0.00 -0.22 0.00 0.00 54.13 54.03 2aee s LEU 170 Cb -0.25 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 2aee s LEU 170 CO 0.31 0.20 -0.25 -0.63 -1.32 0.00 0.00 176.35 174.65 2aee s ILE 171 N 0.14 1.98 0.11 6.68 1.09 0.33 -4.99 121.20 126.54 2aee s ILE 171 Ca -0.11 -1.25 0.07 0.00 -1.10 0.00 0.00 60.65 58.26 2aee s ILE 171 Cb -0.16 -1.69 -0.03 0.00 -1.06 0.00 0.00 42.46 39.52 2aee s ILE 171 CO 0.06 0.39 -0.17 0.42 -0.10 0.00 0.00 174.94 175.53 2aee s THR 172 N -0.74 1.49 0.06 2.92 -4.23 -1.26 -1.08 115.64 112.80 2aee s THR 172 Ca 0.10 -1.57 -0.06 0.00 -1.18 0.00 0.00 61.69 58.97 2aee s THR 172 Cb -0.10 -1.47 -0.30 0.00 1.34 0.00 0.00 72.50 71.98 2aee s THR 172 CO 0.01 -0.22 1.09 -0.07 -0.54 0.00 0.00 174.62 174.90 2aee h LEU 173 N 3.89 0.50 -8.64 4.79 3.38 -1.20 -3.48 115.31 114.56 2aee h LEU 173 Ca -0.43 -0.54 -0.30 0.00 0.09 0.00 0.00 57.88 56.70 2aee h LEU 173 Cb 1.19 -0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.65 2aee h LEU 173 CO 0.44 1.43 -0.44 -0.55 0.09 0.00 0.00 178.44 179.40 2aee s SER 174 N -7.22 0.74 0.16 -0.43 0.15 -0.38 -3.29 113.70 103.44 2aee s SER 174 Ca -0.05 -1.47 -0.21 0.00 0.70 0.00 0.00 55.95 54.92 2aee s SER 174 Cb 0.06 0.51 0.06 0.00 -1.71 0.00 0.00 66.02 64.94 2aee s SER 174 CO 0.89 -1.03 0.56 0.54 1.20 0.00 0.00 173.24 175.41 2aee s ASN 175 N -3.22 -0.45 0.20 5.45 4.22 -1.26 -3.10 114.94 116.77 2aee s ASN 175 Ca 0.36 -0.15 -0.11 0.00 -2.14 0.00 0.00 52.86 50.82 2aee s ASN 175 Cb 0.03 0.58 0.26 0.00 1.28 0.00 0.00 41.25 43.40 2aee s ASN 175 CO 0.18 -0.98 1.72 0.22 -2.04 0.00 0.00 177.10 176.20 2aee h TYR 176 N 2.09 0.27 -0.46 1.54 3.20 -1.57 -1.03 116.97 121.01 2aee h TYR 176 Ca -0.32 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.58 2aee h TYR 176 Cb 1.29 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.51 2aee h TYR 176 CO 0.27 0.03 0.30 1.15 -1.64 0.00 0.00 178.16 178.27 2aee h THR 177 N 0.31 1.12 -0.38 1.81 2.02 -1.92 -1.43 112.91 114.46 2aee h THR 177 Ca 0.29 -0.24 -0.12 0.00 0.77 0.00 0.00 66.41 67.10 2aee h THR 177 Cb 0.39 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2aee h THR 177 CO -0.34 0.12 -0.26 -0.08 0.37 0.00 0.00 175.52 175.33 2aee h GLU 178 N 0.62 0.78 -0.39 6.66 4.57 -1.88 -2.45 114.58 122.48 2aee h GLU 178 Ca 0.17 -0.33 -0.07 0.00 -1.18 0.00 0.00 59.36 57.94 2aee h GLU 178 Cb -0.05 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 2aee h GLU 178 CO -0.03 0.95 -0.05 1.25 -1.18 0.00 0.00 179.01 179.95 2aee h LEU 179 N 0.67 0.72 -1.02 1.64 6.46 -0.91 -1.49 115.31 121.38 2aee h LEU 179 Ca 0.09 -0.34 -0.10 0.00 -0.12 0.00 0.00 57.88 57.41 2aee h LEU 179 Cb 0.78 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 2aee h LEU 179 CO 0.06 0.89 -0.49 0.16 -0.62 0.00 0.00 178.44 178.44 2aee h ILE 180 N 0.54 1.35 -0.04 4.05 3.07 -1.30 0.48 117.51 125.65 2aee h ILE 180 Ca 0.10 -1.67 -0.00 0.00 1.55 0.00 0.00 64.86 64.84 2aee h ILE 180 Cb 0.55 1.90 -0.00 0.00 -0.27 0.00 0.00 36.82 38.99 2aee h ILE 180 CO 0.03 0.48 0.01 0.00 -1.05 0.00 0.00 178.15 177.62 2aee h ALA 181 N 1.51 0.05 -0.63 0.16 0.00 -1.24 -1.94 119.26 117.17 2aee h ALA 181 Ca -0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2aee h ALA 181 Cb 0.86 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2aee h ALA 181 CO 0.06 -0.34 0.08 0.28 0.00 0.00 0.00 179.25 179.33 2aee h VAL 182 N -0.12 1.26 -0.69 0.00 2.07 -1.22 -1.59 116.25 115.95 2aee h VAL 182 Ca 0.01 -1.04 0.05 0.00 0.82 0.00 0.00 66.70 66.54 2aee h VAL 182 Cb 0.20 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2aee h VAL 182 CO -0.00 0.39 0.41 0.00 0.02 0.00 0.00 177.57 178.39 2aee h ALA 183 N 1.10 0.92 -0.19 1.67 0.00 -0.77 0.09 119.26 122.08 2aee h ALA 183 Ca 0.19 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 2aee h ALA 183 Cb 0.45 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2aee h ALA 183 CO 0.02 0.14 -0.42 -0.22 0.00 0.00 0.00 179.25 178.76 2aee h LYS 184 N 0.78 0.63 -0.77 0.00 1.63 -1.22 0.20 116.57 117.82 2aee h LYS 184 Ca 0.30 -0.42 0.05 0.00 -0.85 0.00 0.00 60.65 59.73 2aee h LYS 184 Cb 0.11 0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.75 2aee h LYS 184 CO -0.15 1.03 0.50 1.25 -3.45 0.00 0.00 179.45 178.64 2aee h LEU 185 N 0.31 0.76 -1.28 5.20 5.85 -0.79 -2.07 115.31 123.28 2aee h LEU 185 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2aee h LEU 185 Cb 1.03 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.89 2aee h LEU 185 CO 0.09 0.50 -0.09 0.00 -0.34 0.00 0.00 178.44 178.60 2aee n GLN 186 N -4.47 1.76 -0.71 1.25 6.02 -0.02 -4.97 117.38 116.24 2aee n GLN 186 Ca 0.11 -1.28 0.00 0.00 -0.01 0.00 0.00 57.00 55.82 2aee n GLN 186 Cb 0.18 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.96 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 1.29 0.60 0.24 1.08 0.00 -0.16 -4.94 105.19 103.30 2aee n GLY 187 Ca 0.15 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.97 1.61 0.05 -0.95 -3.45 116.97 110.26 2aee h TYR 188 Ca 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.64 2aee h TYR 188 Cb 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 37.56 2aee h TYR 188 CO 0.00 0.15 -0.62 0.96 -1.05 0.00 0.00 178.16 177.60 2aee s ILE 189 N -3.60 0.15 0.67 -2.88 -4.36 -1.21 -4.94 121.20 105.03 2aee s ILE 189 Ca 0.01 -1.23 -0.03 0.00 -0.26 0.00 0.00 60.65 59.15 2aee s ILE 189 Cb 0.09 -0.86 0.08 0.00 1.25 0.00 0.00 42.46 43.02 2aee s ILE 189 CO 0.61 -0.68 0.94 0.42 0.24 0.00 0.00 174.94 176.48 2aee s THR 190 N -2.59 2.35 0.24 8.37 -4.23 -1.26 -4.53 115.64 113.98 2aee s THR 190 Ca -0.05 -0.48 -0.06 0.00 -1.18 0.00 0.00 61.69 59.92 2aee s THR 190 Cb -0.01 -2.87 0.21 0.00 1.34 0.00 0.00 72.50 71.17 2aee s THR 190 CO -0.05 0.00 1.86 0.78 -0.54 0.00 0.00 174.62 176.67 2aee h ASN 191 N -0.41 0.88 -0.90 3.99 2.35 -1.99 0.73 115.58 120.23 2aee h ASN 191 Ca -0.41 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.36 2aee h ASN 191 Cb 1.29 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 39.43 2aee h ASN 191 CO 0.50 0.58 0.59 0.44 -1.65 0.00 0.00 177.43 177.90 2aee h ASP 192 N 1.02 1.02 -0.62 5.81 3.32 -1.99 -0.52 116.42 124.45 2aee h ASP 192 Ca 0.36 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.36 2aee h ASP 192 Cb 0.11 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 2aee h ASP 192 CO -0.15 0.73 0.25 1.23 -1.72 0.00 0.00 179.24 179.57 2aee h GLY 193 N 1.20 1.00 0.99 2.75 0.00 -1.81 -1.98 103.07 105.21 2aee h GLY 193 Ca 0.34 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 2aee h GLY 193 CO -0.08 0.51 0.33 -2.00 0.00 0.00 0.00 176.54 175.30 2aee h LEU 194 N 0.87 0.76 -0.99 3.11 5.85 -0.41 -0.11 115.31 124.38 2aee h LEU 194 Ca 0.21 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.91 2aee h LEU 194 Cb 0.21 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 2aee h LEU 194 CO -0.02 0.64 0.64 -0.74 -0.34 0.00 0.00 178.44 178.62 2aee h HIS 195 N 0.83 1.17 -0.25 1.25 2.76 -0.92 -1.57 115.15 118.42 2aee h HIS 195 Ca 0.21 0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 58.23 2aee h HIS 195 Cb 0.05 -0.38 0.00 0.00 1.55 0.00 0.00 27.41 28.63 2aee h HIS 195 CO -0.01 0.58 -0.58 -0.07 -1.30 0.00 0.00 177.93 176.55 2aee h LEU 196 N 1.12 0.93 -1.20 0.26 3.38 -0.60 -2.27 115.31 116.94 2aee h LEU 196 Ca 0.44 -0.56 0.05 0.00 0.09 0.00 0.00 57.88 57.90 2aee h LEU 196 Cb 0.23 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 2aee h LEU 196 CO -0.19 1.32 0.56 -0.07 0.09 0.00 0.00 178.44 180.15 2aee h LEU 197 N 0.59 0.87 -0.52 1.67 3.38 -0.75 -0.78 115.31 119.77 2aee h LEU 197 Ca -0.00 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2aee h LEU 197 Cb 1.19 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 2aee h LEU 197 CO 0.13 0.58 -0.09 0.11 0.09 0.00 0.00 178.44 179.26 2aee h LYS 198 N 1.00 0.97 -0.56 1.13 1.57 -1.07 -2.68 116.57 116.93 2aee h LYS 198 Ca 0.35 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2aee h LYS 198 Cb 0.13 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2aee h LYS 198 CO -0.12 1.03 0.35 0.87 -0.57 0.00 0.00 179.45 181.01 2aee h LYS 199 N 0.84 0.76 -0.81 3.15 1.57 -1.10 -2.70 116.57 118.28 2aee h LYS 199 Ca 0.14 -0.06 0.11 0.00 -1.87 0.00 0.00 60.65 58.96 2aee h LYS 199 Cb 0.64 -0.16 -0.08 0.00 0.08 0.00 0.00 32.23 32.71 2aee h LYS 199 CO 0.04 0.53 0.44 0.35 -0.57 0.00 0.00 179.45 180.24 2aee h PHE 200 N 0.76 0.79 -0.85 -1.35 3.57 -0.98 -0.78 116.94 118.09 2aee h PHE 200 Ca 0.20 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 2aee h PHE 200 Cb -0.04 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.43 2aee h PHE 200 CO -0.03 0.28 0.49 -0.22 -2.23 0.00 0.00 178.31 176.60 2aee h LYS 201 N 0.71 1.17 -0.86 1.11 3.64 -1.26 -2.94 116.57 118.13 2aee h LYS 201 Ca 0.40 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 2aee h LYS 201 Cb 0.44 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 2aee h LYS 201 CO -0.28 0.84 0.44 0.93 -2.27 0.00 0.00 179.45 179.11 2aee h GLU 202 N 1.18 1.23 -0.77 1.90 5.08 -0.88 -3.45 114.58 118.87 2aee h GLU 202 Ca 0.30 -0.16 0.13 0.00 -1.00 0.00 0.00 59.36 58.63 2aee h GLU 202 Cb -0.01 -0.23 -0.21 0.00 0.50 0.00 0.00 28.75 28.80 2aee h GLU 202 CO -0.05 0.92 -0.15 0.34 -1.00 0.00 0.00 179.01 179.07 2aee s ASP 203 N -6.29 -1.09 0.46 1.42 -1.08 -0.44 -5.05 116.67 104.61 2aee s ASP 203 Ca -0.12 0.63 0.29 0.00 -0.52 0.00 0.00 52.55 52.83 2aee s ASP 203 Cb 0.17 1.89 1.07 0.00 -1.46 0.00 0.00 42.92 44.59 2aee s ASP 203 CO 0.83 -0.20 1.85 1.56 0.52 0.00 0.00 175.17 179.73 2aee h GLN 204 N 7.98 0.00 0.09 4.34 4.20 -1.82 -3.11 115.11 126.78 2aee h GLN 204 Ca -0.18 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.18 2aee h GLN 204 Cb 1.17 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.92 2aee h GLN 204 CO 0.13 0.00 -1.90 1.55 -0.67 0.00 0.00 178.83 177.94 2aee n VAL 205 N -2.89 1.71 -1.06 -0.54 3.14 -1.26 -4.60 118.33 112.83 2aee n VAL 205 Ca 0.02 -0.52 0.04 0.00 -2.96 0.00 0.00 64.34 60.92 2aee n VAL 205 Cb 0.34 -1.78 0.27 0.00 -1.06 0.00 0.00 33.84 31.62 2aee n VAL 205 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2aee n ASN 206 N -3.67 3.99 0.29 6.55 3.02 -1.24 -4.71 115.26 119.49 2aee n ASN 206 Ca -0.33 -3.15 0.18 0.00 -0.03 0.00 0.00 54.58 51.25 2aee n ASN 206 Cb 0.97 -0.60 0.82 0.00 -0.61 0.00 0.00 39.78 40.36 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 2.01 0.00 -0.01 3.10 5.08 -1.79 -3.50 115.95 120.83 2aee h TRP 207 Ca 0.07 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.04 2aee h TRP 207 Cb 1.66 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.82 2aee h TRP 207 CO 0.74 0.01 0.00 1.04 -1.28 0.00 0.00 178.44 178.96