#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aei s VAL 17 N 0.00 3.24 0.00 1.39 1.01 -0.08 -3.95 120.40 122.02 2aei s VAL 17 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.04 2aei s VAL 17 Cb 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.71 2aei s VAL 17 CO 0.00 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.85 2aei n GLY 18 N 4.73 0.49 0.00 4.51 0.00 -1.26 -2.15 105.19 111.50 2aei n GLY 18 Ca -0.16 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2aei n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aei n GLY 19 N -2.06 2.97 3.32 -0.02 0.00 -1.26 -4.91 105.19 103.23 2aei n GLY 19 Ca 0.00 -2.09 -0.17 0.00 0.00 0.00 0.00 46.02 43.75 2aei n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aei s LYS 20 N 0.26 1.26 -0.05 1.61 3.01 0.60 -4.91 119.74 121.51 2aei s LYS 20 Ca 0.00 -1.56 -0.30 0.00 -1.01 0.00 0.00 55.97 53.10 2aei s LYS 20 Cb 0.00 -0.94 -0.05 0.00 -1.01 0.00 0.00 37.83 35.84 2aei s LYS 20 CO 0.00 0.12 1.43 0.08 0.51 0.00 0.00 175.35 177.50 2aei s VAL 21 N -3.11 3.81 0.10 3.17 1.01 -1.26 0.28 120.40 124.39 2aei s VAL 21 Ca 0.21 1.10 -0.31 0.00 0.00 0.00 0.00 61.98 62.98 2aei s VAL 21 Cb 0.01 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 2aei s VAL 21 CO 0.05 -0.05 1.31 0.00 0.00 0.00 0.00 175.10 176.42 2aei s PRO 23 N 1.00 2.91 -0.16 0.00 0.02 -1.26 -4.70 135.00 132.81 2aei s PRO 23 Ca 0.62 1.85 -0.33 0.00 0.02 0.00 0.00 61.00 63.16 2aei s PRO 23 Cb -0.34 -1.92 -0.10 0.00 0.02 0.00 0.00 34.50 32.16 2aei s PRO 23 CO 0.30 -1.26 2.00 1.17 -0.33 0.00 0.00 177.00 178.89 2aei n LYS 24 N -1.64 1.93 0.00 5.54 3.00 -1.26 -2.17 118.16 123.56 2aei n LYS 24 Ca 0.14 0.66 0.00 0.00 -0.00 0.00 0.00 58.31 59.11 2aei n LYS 24 Cb 0.49 -2.71 0.00 0.00 0.00 0.00 0.00 35.03 32.81 2aei n LYS 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2aei n GLY 25 N 5.07 0.28 1.56 3.14 0.00 -1.26 -4.97 105.19 109.00 2aei n GLY 25 Ca 0.28 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.39 2aei n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2aei n GLU 26 N -1.65 3.57 -2.67 1.61 1.02 -0.92 -4.03 120.64 117.56 2aei n GLU 26 Ca 0.00 -2.86 -0.08 0.00 -0.02 0.00 0.00 57.16 54.20 2aei n GLU 26 Cb 0.00 -1.84 0.06 0.00 -0.02 0.00 0.00 31.44 29.64 2aei n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2aei n PRO 28 N -0.24 0.05 -0.15 0.00 -0.04 -1.26 -1.75 135.00 131.62 2aei n PRO 28 Ca 0.05 0.52 0.10 0.00 -0.04 0.00 0.00 63.50 64.13 2aei n PRO 28 Cb 0.83 -1.75 0.18 0.00 -0.04 0.00 0.00 33.50 32.72 2aei n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2aei n TRP 29 N -1.76 0.40 -2.44 0.54 2.14 -1.10 -2.49 117.44 112.72 2aei n TRP 29 Ca -0.01 -0.23 -0.42 0.00 2.07 0.00 0.00 57.50 58.91 2aei n TRP 29 Cb 0.08 -0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.55 2aei n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2aei s GLN 30 N -1.38 4.37 0.13 -2.67 2.00 -0.72 -1.07 119.66 120.33 2aei s GLN 30 Ca 0.33 1.71 0.09 0.00 -2.00 0.00 0.00 55.36 55.49 2aei s GLN 30 Cb 0.20 -3.50 -0.04 0.00 0.80 0.00 0.00 33.01 30.46 2aei s GLN 30 CO 0.27 -0.39 -0.18 0.14 -0.50 0.00 0.00 175.29 174.63 2aei s VAL 31 N 1.89 2.82 -0.22 1.34 -7.23 -1.00 -4.46 120.40 113.53 2aei s VAL 31 Ca 0.57 -1.57 -0.03 0.00 -1.81 0.00 0.00 61.98 59.14 2aei s VAL 31 Cb -0.26 -2.31 -0.00 0.00 0.56 0.00 0.00 36.38 34.37 2aei s VAL 31 CO 0.24 0.06 -0.06 -0.22 -0.31 0.00 0.00 175.10 174.81 2aei s LEU 32 N -2.26 2.87 -0.16 1.32 2.96 -0.20 -1.79 118.68 121.43 2aei s LEU 32 Ca 0.19 -0.49 -0.18 0.00 -0.22 0.00 0.00 54.13 53.42 2aei s LEU 32 Cb -0.10 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 2aei s LEU 32 CO 0.10 -0.04 0.50 -0.76 -1.32 0.00 0.00 176.35 174.84 2aei s LEU 33 N 1.44 4.22 -0.03 -0.68 1.02 1.00 -0.57 118.68 125.07 2aei s LEU 33 Ca 0.05 0.76 0.05 0.00 0.02 0.00 0.00 54.13 55.01 2aei s LEU 33 Cb -0.14 -2.71 -0.01 0.00 0.02 0.00 0.00 46.19 43.35 2aei s LEU 33 CO -0.04 -0.09 -0.19 -0.76 0.02 0.00 0.00 176.35 175.29 2aei s LEU 34 N 1.11 1.98 -0.07 1.79 1.02 0.14 0.46 118.68 125.10 2aei s LEU 34 Ca 0.25 -0.37 0.03 0.00 0.02 0.00 0.00 54.13 54.07 2aei s LEU 34 Cb -0.15 -1.02 0.01 0.00 0.02 0.00 0.00 46.19 45.04 2aei s LEU 34 CO 0.10 0.20 -0.16 0.54 0.02 0.00 0.00 176.35 177.05 2aei s VAL 35 N -0.17 1.40 -1.42 -1.59 0.11 -0.08 -0.30 120.40 118.34 2aei s VAL 35 Ca 0.01 -0.65 -0.11 0.00 -2.93 0.00 0.00 61.98 58.30 2aei s VAL 35 Cb -0.10 -1.24 0.08 0.00 -1.53 0.00 0.00 36.38 33.59 2aei s VAL 35 CO 0.01 0.41 0.65 0.59 -3.33 0.00 0.00 175.10 173.44 2aei n ASN 37 N 3.61 -4.13 0.00 3.54 5.03 -0.38 -0.55 115.26 122.38 2aei n ASN 37 Ca -0.21 -0.55 0.00 0.00 0.87 0.00 0.00 54.58 54.69 2aei n ASN 37 Cb 0.52 -3.37 0.00 0.00 -1.02 0.00 0.00 39.78 35.91 2aei n ASN 37 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2aei n GLY 38 N -1.35 2.85 3.84 7.41 0.00 -1.26 -5.00 105.19 111.68 2aei n GLY 38 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2aei n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aei s ALA 39 N -0.92 3.12 0.07 4.61 0.00 0.29 -4.97 121.76 123.94 2aei s ALA 39 Ca 0.00 0.20 -0.31 0.00 0.00 0.00 0.00 51.96 51.85 2aei s ALA 39 Cb 0.00 -3.04 -0.08 0.00 0.00 0.00 0.00 23.12 20.00 2aei s ALA 39 CO 0.00 -0.02 1.59 -1.14 0.00 0.00 0.00 175.76 176.19 2aei s GLN 40 N -3.60 4.22 0.00 0.00 0.74 -1.26 -0.90 119.66 118.85 2aei s GLN 40 Ca 0.59 2.26 0.00 0.00 0.05 0.00 0.00 55.36 58.25 2aei s GLN 40 Cb -0.10 -3.54 0.00 0.00 1.10 0.00 0.00 33.01 30.48 2aei s GLN 40 CO 0.23 -0.68 0.00 -0.11 -0.55 0.00 0.00 175.29 174.18 2aei n LEU 41 N 5.33 0.00 -4.16 3.68 7.94 0.17 -4.87 117.00 125.10 2aei n LEU 41 Ca 0.15 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.89 2aei n LEU 41 Cb 0.41 -0.12 -0.06 0.00 0.53 0.00 0.00 43.42 44.18 2aei n LEU 41 CO 0.62 -0.23 0.03 0.00 -1.11 0.00 0.00 177.39 176.70 2aei s GLY 43 N -3.27 1.76 0.27 0.00 0.00 -0.80 -0.00 107.32 105.28 2aei s GLY 43 Ca 0.34 -2.03 -0.10 0.00 0.00 0.00 0.00 44.72 42.93 2aei s GLY 43 CO 0.22 -1.59 0.54 0.61 0.00 0.00 0.00 173.10 172.87 2aei n GLY 44 N -2.27 1.36 2.66 0.20 0.00 -0.74 -3.71 105.19 102.69 2aei n GLY 44 Ca 0.15 -1.20 -0.21 0.00 0.00 0.00 0.00 46.02 44.75 2aei n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aei s THR 45 N -2.40 -0.11 0.07 2.61 2.01 0.01 -2.38 115.64 115.45 2aei s THR 45 Ca 0.12 0.33 -0.31 0.00 0.31 0.00 0.00 61.69 62.14 2aei s THR 45 Cb -0.03 -0.22 -0.07 0.00 0.01 0.00 0.00 72.50 72.19 2aei s THR 45 CO 0.09 0.11 1.38 -0.22 -0.69 0.00 0.00 174.62 175.28 2aei s LEU 46 N 2.17 4.35 -0.01 4.42 0.20 -0.23 -0.75 118.68 128.83 2aei s LEU 46 Ca 0.04 2.24 0.14 0.00 0.69 0.00 0.00 54.13 57.24 2aei s LEU 46 Cb -0.13 -3.58 -0.20 0.00 -0.43 0.00 0.00 46.19 41.86 2aei s LEU 46 CO -0.04 -0.66 0.42 -0.38 -0.29 0.00 0.00 176.35 175.40 2aei n ILE 47 N 4.19 0.00 -1.23 6.68 -0.00 -0.51 -0.68 119.36 127.80 2aei n ILE 47 Ca 0.12 -0.27 0.00 0.00 -0.00 0.00 0.00 62.75 62.60 2aei n ILE 47 Cb 0.43 0.49 0.00 0.00 -0.00 0.00 0.00 39.64 40.56 2aei n ILE 47 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 2aei n ASN 48 N -1.74 0.46 0.04 4.38 0.23 -1.23 -4.65 115.26 112.76 2aei n ASN 48 Ca -0.01 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.09 2aei n ASN 48 Cb 0.31 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.95 2aei n ASN 48 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2aei n THR 49 N 0.00 0.88 0.13 5.53 -2.24 -1.26 -4.49 114.28 112.84 2aei n THR 49 Ca 0.00 -0.63 0.06 0.00 -2.27 0.00 0.00 64.05 61.20 2aei n THR 49 Cb 0.00 -0.51 -0.08 0.00 -2.10 0.00 0.00 70.33 67.64 2aei n THR 49 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2aei n ILE 50 N -2.74 0.00 -4.40 2.28 -0.00 -1.26 -2.35 119.36 110.89 2aei n ILE 50 Ca -0.07 -0.25 -0.29 0.00 -0.00 0.00 0.00 62.75 62.13 2aei n ILE 50 Cb 0.73 0.44 -0.12 0.00 -0.00 0.00 0.00 39.64 40.69 2aei n ILE 50 CO 0.00 0.00 0.00 0.26 -0.00 0.00 0.00 176.55 176.81 2aei s TRP 51 N -2.59 2.42 -0.00 1.39 0.51 -1.26 0.23 118.94 119.64 2aei s TRP 51 Ca -0.02 -0.32 0.00 0.00 -2.12 0.00 0.00 56.10 53.64 2aei s TRP 51 Cb 0.08 -1.31 -0.00 0.00 -0.81 0.00 0.00 33.47 31.42 2aei s TRP 51 CO 0.47 0.34 -0.01 0.14 -0.51 0.00 0.00 176.95 177.38 2aei s VAL 52 N -1.07 0.09 -0.13 4.03 -7.23 -0.99 -1.43 120.40 113.67 2aei s VAL 52 Ca 0.16 -0.04 -0.10 0.00 -1.81 0.00 0.00 61.98 60.18 2aei s VAL 52 Cb -0.10 -0.09 -0.05 0.00 0.56 0.00 0.00 36.38 36.70 2aei s VAL 52 CO 0.07 0.03 0.21 -0.69 -0.31 0.00 0.00 175.10 174.42 2aei s VAL 53 N -0.00 5.37 0.00 1.32 1.01 0.07 -1.16 120.40 127.00 2aei s VAL 53 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.36 2aei s VAL 53 Cb -0.01 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2aei s VAL 53 CO -0.00 0.52 0.00 -0.24 0.00 0.00 0.00 175.10 175.38 2aei n SER 54 N 2.65 0.00 -4.76 3.32 2.88 0.05 -0.81 113.62 116.95 2aei n SER 54 Ca -0.16 -0.99 -0.34 0.00 -1.33 0.00 0.00 58.87 56.04 2aei n SER 54 Cb 0.53 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.91 2aei n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2aei s ALA 55 N -1.88 3.52 0.34 -1.46 0.00 -1.26 -0.46 121.76 120.57 2aei s ALA 55 Ca 0.00 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.21 2aei s ALA 55 Cb 0.00 -1.61 0.62 0.00 0.00 0.00 0.00 23.12 22.13 2aei s ALA 55 CO 0.00 0.64 1.87 0.00 0.00 0.00 0.00 175.76 178.27 2aei h ALA 56 N 4.68 1.38 0.00 0.00 0.00 -1.68 -3.04 119.26 120.59 2aei h ALA 56 Ca -0.51 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2aei h ALA 56 Cb 1.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2aei h ALA 56 CO 0.58 0.43 0.00 -2.39 0.00 0.00 0.00 179.25 177.87 2aei n HIS 57 N -4.27 0.08 0.21 0.00 1.44 -1.26 -2.02 115.22 109.40 2aei n HIS 57 Ca 0.01 0.04 0.09 0.00 -2.01 0.00 0.00 57.72 55.85 2aei n HIS 57 Cb 0.26 -0.56 0.34 0.00 0.12 0.00 0.00 29.99 30.15 2aei n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2aei n PHE 59 N -3.27 0.51 -0.22 0.00 3.01 -0.86 -4.59 117.46 112.04 2aei n PHE 59 Ca 0.01 -0.25 0.01 0.00 1.01 0.00 0.00 57.45 58.23 2aei n PHE 59 Cb 0.50 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 40.09 2aei n PHE 59 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2aei h ASP 60 N 3.71 0.33 -0.56 4.37 3.45 -1.70 -2.92 116.42 123.11 2aei h ASP 60 Ca 0.00 0.07 -0.41 0.00 0.43 0.00 0.00 57.03 57.12 2aei h ASP 60 Cb 0.82 0.03 -0.32 0.00 -0.56 0.00 0.00 39.33 39.30 2aei h ASP 60 CO 0.00 0.19 -0.75 0.29 -1.57 0.00 0.00 179.24 177.40 2aei n LYS 60 N -4.94 3.07 -3.18 3.56 4.01 -1.26 -5.03 118.16 114.39 2aei n LYS 60 Ca 0.10 -3.94 -0.39 0.00 -0.51 0.00 0.00 58.31 53.57 2aei n LYS 60 Cb 0.28 -2.09 -0.06 0.00 -0.51 0.00 0.00 35.03 32.65 2aei n LYS 60 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2aei s ILE 60 N -4.23 5.11 -0.17 -0.18 -1.09 -1.10 -4.95 121.20 114.58 2aei s ILE 60 Ca 0.47 1.16 -0.05 0.00 -2.23 0.00 0.00 60.65 60.00 2aei s ILE 60 Cb 0.40 -3.92 -0.08 0.00 -1.58 0.00 0.00 42.46 37.28 2aei s ILE 60 CO 0.01 0.25 -0.20 0.29 -1.23 0.00 0.00 174.94 174.06 2aei n LYS 60 N 4.04 0.38 -2.37 2.79 4.76 -1.26 -4.84 118.16 121.65 2aei n LYS 60 Ca -0.04 0.14 -0.37 0.00 -2.87 0.00 0.00 58.31 55.17 2aei n LYS 60 Cb 0.51 -1.18 -0.03 0.00 -1.84 0.00 0.00 35.03 32.49 2aei n LYS 60 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2aei s ASN 60 N -6.23 6.08 0.35 4.39 0.01 -1.26 -4.82 114.94 113.45 2aei s ASN 60 Ca -0.23 -1.91 0.09 0.00 -0.71 0.00 0.00 52.86 50.10 2aei s ASN 60 Cb 0.08 -2.58 0.64 0.00 0.41 0.00 0.00 41.25 39.80 2aei s ASN 60 CO 0.33 -1.95 1.81 -0.50 -1.51 0.00 0.00 177.10 175.27 2aei h TRP 61 N 8.88 0.21 -0.45 2.20 4.06 -2.02 -2.82 115.95 126.02 2aei h TRP 61 Ca 0.31 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 61.22 2aei h TRP 61 Cb 0.92 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 29.03 2aei h TRP 61 CO 1.32 0.47 0.00 0.54 -3.56 0.00 0.00 178.44 177.21 2aei n ARG 62 N -4.14 2.13 -1.66 0.49 1.74 -1.26 -4.06 116.66 109.91 2aei n ARG 62 Ca -0.01 -1.75 -0.28 0.00 -0.77 0.00 0.00 57.85 55.04 2aei n ARG 62 Cb 0.38 -1.40 0.06 0.00 -1.02 0.00 0.00 32.46 30.48 2aei n ARG 62 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2aei n ASN 63 N 0.92 6.00 -4.30 0.55 5.03 -1.06 -4.96 115.26 117.44 2aei n ASN 63 Ca 0.17 -3.77 -0.37 0.00 0.87 0.00 0.00 54.58 51.48 2aei n ASN 63 Cb 0.43 -0.64 -0.13 0.00 -1.02 0.00 0.00 39.78 38.42 2aei n ASN 63 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2aei s LEU 64 N -3.68 3.75 -0.01 3.41 1.43 -1.26 -1.24 118.68 121.08 2aei s LEU 64 Ca 0.57 -0.80 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 2aei s LEU 64 Cb 0.45 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 2aei s LEU 64 CO 0.02 -0.19 -0.04 -0.63 0.23 0.00 0.00 176.35 175.74 2aei s ILE 65 N 1.44 3.87 -0.18 -0.59 -1.09 0.58 -0.20 121.20 125.05 2aei s ILE 65 Ca 0.01 -0.66 -0.01 0.00 -2.23 0.00 0.00 60.65 57.76 2aei s ILE 65 Cb -0.17 -2.69 -0.00 0.00 -1.58 0.00 0.00 42.46 38.01 2aei s ILE 65 CO 0.01 0.41 -0.12 0.00 -1.23 0.00 0.00 174.94 174.01 2aei s ALA 66 N -1.01 2.58 -0.16 9.38 0.00 0.12 -0.69 121.76 131.98 2aei s ALA 66 Ca 0.17 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 2aei s ALA 66 Cb -0.11 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.63 2aei s ALA 66 CO 0.08 -0.18 -0.09 0.08 0.00 0.00 0.00 175.76 175.64 2aei s VAL 67 N 1.06 3.28 0.37 0.00 1.01 0.26 -0.90 120.40 125.48 2aei s VAL 67 Ca -0.00 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.50 2aei s VAL 67 Cb -0.15 -2.42 -0.06 0.00 0.00 0.00 0.00 36.38 33.75 2aei s VAL 67 CO -0.03 0.49 0.03 -0.76 0.00 0.00 0.00 175.10 174.84 2aei s LEU 68 N 0.67 2.96 0.00 3.92 1.02 0.16 -1.04 118.68 126.38 2aei s LEU 68 Ca -0.05 -1.10 0.00 0.00 0.02 0.00 0.00 54.13 53.00 2aei s LEU 68 Cb -0.15 -1.25 0.00 0.00 0.02 0.00 0.00 46.19 44.81 2aei s LEU 68 CO 0.02 -0.33 0.00 0.61 0.02 0.00 0.00 176.35 176.67 2aei n GLY 69 N -0.99 0.30 3.79 -3.19 0.00 -1.25 -0.49 105.19 103.36 2aei n GLY 69 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2aei n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2aei s GLU 70 N -0.92 4.33 0.18 1.61 2.56 -1.26 -3.87 118.70 121.33 2aei s GLU 70 Ca 0.00 1.33 0.00 0.00 0.00 0.00 0.00 54.97 56.30 2aei s GLU 70 Cb 0.00 -2.53 0.00 0.00 2.00 0.00 0.00 34.13 33.60 2aei s GLU 70 CO 0.00 0.04 0.00 1.58 -0.56 0.00 0.00 175.26 176.32 2aei n HIS 71 N -0.01 -1.93 -3.76 5.30 -0.00 -1.26 -4.93 115.22 108.62 2aei n HIS 71 Ca 0.04 0.40 -0.37 0.00 -0.00 0.00 0.00 57.72 57.79 2aei n HIS 71 Cb 0.51 0.99 -0.13 0.00 -0.00 0.00 0.00 29.99 31.37 2aei n HIS 71 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2aei s ASP 72 N -4.31 5.15 0.15 0.26 2.15 -1.26 -0.95 116.67 117.86 2aei s ASP 72 Ca 0.00 -0.73 0.20 0.00 0.43 0.00 0.00 52.55 52.45 2aei s ASP 72 Cb 0.00 -1.88 0.83 0.00 -0.30 0.00 0.00 42.92 41.56 2aei s ASP 72 CO 0.00 -0.20 1.60 0.18 -0.17 0.00 0.00 175.17 176.58 2aei n LEU 73 N 4.87 0.39 -1.47 -1.34 4.32 0.89 -2.51 117.00 122.15 2aei n LEU 73 Ca -0.14 0.60 0.09 0.00 -0.02 0.00 0.00 56.01 56.53 2aei n LEU 73 Cb 0.48 -0.55 0.33 0.00 -1.62 0.00 0.00 43.42 42.05 2aei n LEU 73 CO 0.32 -0.45 0.78 -1.20 -1.22 0.00 0.00 177.39 175.62 2aei n SER 74 N -1.94 4.33 -3.52 -1.43 7.64 -1.26 -4.96 113.62 112.48 2aei n SER 74 Ca 0.03 -2.38 -0.12 0.00 1.01 0.00 0.00 58.87 57.41 2aei n SER 74 Cb 0.20 -0.55 -0.04 0.00 -1.01 0.00 0.00 64.21 62.81 2aei n SER 74 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2aei s GLU 75 N -1.78 0.87 -0.45 1.43 2.56 -1.04 -5.11 118.70 115.18 2aei s GLU 75 Ca 0.46 -0.05 0.01 0.00 0.00 0.00 0.00 54.97 55.39 2aei s GLU 75 Cb 0.30 0.41 0.12 0.00 2.00 0.00 0.00 34.13 36.95 2aei s GLU 75 CO 0.23 -0.33 0.22 -1.58 -0.56 0.00 0.00 175.26 173.24 2aei s HIS 76 N -2.12 3.52 -0.45 5.30 5.65 -1.26 -4.73 115.29 121.20 2aei s HIS 76 Ca -0.02 -2.81 0.06 0.00 0.25 0.00 0.00 55.06 52.55 2aei s HIS 76 Cb -0.01 -3.05 0.46 0.00 -1.18 0.00 0.00 32.58 28.81 2aei s HIS 76 CO -0.02 -0.89 1.35 -0.40 -0.65 0.00 0.00 174.74 174.14 2aei n ASP 77 N 3.97 3.72 -0.54 9.88 5.68 -1.26 -4.90 116.55 133.10 2aei n ASP 77 Ca 0.03 -2.70 -0.07 0.00 -0.50 0.00 0.00 54.79 51.55 2aei n ASP 77 Cb 0.39 -0.64 -0.03 0.00 -1.14 0.00 0.00 41.12 39.69 2aei n ASP 77 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2aei n GLY 78 N 0.08 0.72 0.01 6.12 0.00 -1.26 -4.77 105.19 106.09 2aei n GLY 78 Ca 0.23 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.31 2aei n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2aei n ASP 79 N -0.94 0.54 -4.79 1.61 8.00 -1.26 -4.97 116.55 114.74 2aei n ASP 79 Ca -0.07 -0.27 -0.38 0.00 0.71 0.00 0.00 54.79 54.78 2aei n ASP 79 Cb 0.51 1.66 -0.06 0.00 -0.02 0.00 0.00 41.12 43.21 2aei n ASP 79 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2aei s GLU 80 N -3.25 4.46 -0.03 -1.24 1.03 -1.25 -4.45 118.70 113.98 2aei s GLU 80 Ca -0.03 1.06 0.04 0.00 0.03 0.00 0.00 54.97 56.07 2aei s GLU 80 Cb 0.13 -3.15 -0.01 0.00 -0.80 0.00 0.00 34.13 30.30 2aei s GLU 80 CO 0.83 0.53 -0.15 -0.65 -1.33 0.00 0.00 175.26 174.48 2aei s GLN 81 N -1.37 1.45 0.07 -4.83 -0.21 0.36 -4.96 119.66 110.18 2aei s GLN 81 Ca 0.37 -0.54 0.07 0.00 0.02 0.00 0.00 55.36 55.28 2aei s GLN 81 Cb -0.21 -1.32 -0.03 0.00 1.00 0.00 0.00 33.01 32.45 2aei s GLN 81 CO 0.24 0.26 -0.18 -1.54 -2.12 0.00 0.00 175.29 171.95 2aei s SER 82 N -0.09 2.12 0.06 5.90 1.04 -1.26 0.39 113.70 121.87 2aei s SER 82 Ca 0.00 -0.59 0.01 0.00 0.48 0.00 0.00 55.95 55.86 2aei s SER 82 Cb -0.09 -0.12 -0.03 0.00 0.10 0.00 0.00 66.02 65.87 2aei s SER 82 CO 0.01 0.04 -0.06 -0.13 0.98 0.00 0.00 173.24 174.08 2aei s ARG 83 N -1.55 0.64 0.32 4.02 1.81 -0.08 -4.96 118.95 119.15 2aei s ARG 83 Ca 0.04 -1.05 -0.11 0.00 -1.72 0.00 0.00 55.73 52.89 2aei s ARG 83 Cb -0.09 -0.14 -0.07 0.00 -0.45 0.00 0.00 34.95 34.20 2aei s ARG 83 CO 0.03 -0.01 0.67 0.50 -0.68 0.00 0.00 175.30 175.80 2aei s ARG 84 N -2.84 3.83 -0.18 3.54 3.52 -1.26 0.13 118.95 125.69 2aei s ARG 84 Ca 0.01 0.40 -0.16 0.00 -0.13 0.00 0.00 55.73 55.85 2aei s ARG 84 Cb -0.01 -2.51 -0.04 0.00 -1.56 0.00 0.00 34.95 30.83 2aei s ARG 84 CO -0.03 0.15 0.38 0.14 -0.81 0.00 0.00 175.30 175.13 2aei s VAL 85 N -2.07 5.22 0.02 7.11 -7.23 0.73 -1.31 120.40 122.87 2aei s VAL 85 Ca 0.50 0.71 0.05 0.00 -1.81 0.00 0.00 61.98 61.43 2aei s VAL 85 Cb -0.11 -3.72 -0.24 0.00 0.56 0.00 0.00 36.38 32.88 2aei s VAL 85 CO 0.24 0.30 0.92 0.00 -0.31 0.00 0.00 175.10 176.25 2aei h ALA 86 N 7.10 0.47 -2.60 1.32 0.00 -1.25 -3.45 119.26 120.85 2aei h ALA 86 Ca -0.38 -1.17 -0.10 0.00 0.00 0.00 0.00 54.91 53.26 2aei h ALA 86 Cb 1.17 0.22 -0.25 0.00 0.00 0.00 0.00 17.79 18.92 2aei h ALA 86 CO 0.73 1.33 -0.23 -0.65 0.00 0.00 0.00 179.25 180.43 2aei s GLN 87 N -2.64 0.47 -0.17 0.00 -0.21 -1.16 -4.18 119.66 111.77 2aei s GLN 87 Ca -0.05 0.76 0.00 0.00 0.02 0.00 0.00 55.36 56.10 2aei s GLN 87 Cb 0.08 0.10 0.01 0.00 1.00 0.00 0.00 33.01 34.19 2aei s GLN 87 CO 0.83 -0.12 -0.17 0.14 -2.12 0.00 0.00 175.29 173.85 2aei s VAL 88 N 0.97 2.46 -0.18 1.09 -7.23 0.40 -0.11 120.40 117.79 2aei s VAL 88 Ca -0.06 -0.83 -0.02 0.00 -1.81 0.00 0.00 61.98 59.26 2aei s VAL 88 Cb -0.06 -2.04 -0.01 0.00 0.56 0.00 0.00 36.38 34.83 2aei s VAL 88 CO -0.08 0.52 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.51 2aei s ILE 89 N 1.02 3.21 0.15 -0.62 1.01 0.76 -1.03 121.20 125.71 2aei s ILE 89 Ca -0.02 -0.57 0.09 0.00 0.00 0.00 0.00 60.65 60.15 2aei s ILE 89 Cb -0.15 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 2aei s ILE 89 CO -0.04 0.47 -0.20 0.27 0.00 0.00 0.00 174.94 175.43 2aei s ILE 90 N 1.02 1.90 0.44 2.92 -4.36 -0.41 -0.77 121.20 121.94 2aei s ILE 90 Ca -0.00 -1.83 -0.25 0.00 -0.26 0.00 0.00 60.65 58.31 2aei s ILE 90 Cb -0.15 -1.82 -0.08 0.00 1.25 0.00 0.00 42.46 41.66 2aei s ILE 90 CO -0.01 -0.20 1.29 -2.84 0.24 0.00 0.00 174.94 173.43 2aei s PRO 91 N -2.51 3.80 0.50 0.37 0.02 -1.26 -1.71 135.00 134.21 2aei s PRO 91 Ca 0.14 2.12 0.24 0.00 0.02 0.00 0.00 61.00 63.52 2aei s PRO 91 Cb -0.07 -2.62 1.33 0.00 0.02 0.00 0.00 34.50 33.15 2aei s PRO 91 CO 0.06 -0.62 2.05 0.66 -0.33 0.00 0.00 177.00 178.82 2aei h SER 92 N 2.38 0.00 0.83 2.53 4.64 -0.30 -2.44 113.55 121.19 2aei h SER 92 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2aei h SER 92 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2aei h SER 92 CO 0.61 0.14 0.00 0.35 -0.87 0.00 0.00 176.83 177.07 2aei n THR 93 N -3.81 0.79 -2.38 2.95 -2.24 -1.26 -4.79 114.28 103.54 2aei n THR 93 Ca -0.02 0.16 -0.41 0.00 -2.27 0.00 0.00 64.05 61.51 2aei n THR 93 Cb 0.24 -1.08 -0.04 0.00 -2.10 0.00 0.00 70.33 67.35 2aei n THR 93 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2aei s TYR 94 N -3.29 3.44 -0.27 4.78 5.04 -0.92 -4.93 117.35 121.19 2aei s TYR 94 Ca 0.05 1.54 0.02 0.00 -2.44 0.00 0.00 57.07 56.23 2aei s TYR 94 Cb 0.10 -3.41 0.05 0.00 0.35 0.00 0.00 41.96 39.05 2aei s TYR 94 CO 0.42 -1.03 -0.09 0.08 -1.34 0.00 0.00 175.55 173.60 2aei s VAL 95 N -0.69 2.39 0.27 3.14 1.01 -1.26 -5.02 120.40 120.24 2aei s VAL 95 Ca 0.49 -1.52 -0.27 0.00 0.00 0.00 0.00 61.98 60.68 2aei s VAL 95 Cb -0.33 -2.37 -0.15 0.00 0.00 0.00 0.00 36.38 33.52 2aei s VAL 95 CO 0.41 -0.01 0.69 -2.65 0.00 0.00 0.00 175.10 173.54 2aei n PRO 96 N 4.50 0.58 0.00 2.72 -0.02 -1.26 -0.68 135.00 140.84 2aei n PRO 96 Ca -0.14 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2aei n PRO 96 Cb 0.43 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 2aei n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aei n GLY 97 N 1.69 2.89 0.16 -1.23 0.00 -1.26 -4.99 105.19 102.45 2aei n GLY 97 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 2aei n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2aei n THR 98 N -2.00 0.00 -0.11 2.61 -2.24 0.15 -5.09 114.28 107.59 2aei n THR 98 Ca 0.00 -0.08 -0.16 0.00 -2.27 0.00 0.00 64.05 61.54 2aei n THR 98 Cb 0.00 -1.07 -0.11 0.00 -2.10 0.00 0.00 70.33 67.06 2aei n THR 98 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2aei n THR 99 N -1.14 1.31 -2.09 4.28 -1.04 -1.26 -4.92 114.28 109.42 2aei n THR 99 Ca 0.01 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 61.16 2aei n THR 99 Cb 0.03 -1.32 0.02 0.00 -1.82 0.00 0.00 70.33 67.23 2aei n THR 99 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2aei s ASN 100 N -6.25 5.43 -1.36 8.00 2.47 -1.26 -3.92 114.94 118.05 2aei s ASN 100 Ca -0.31 2.35 -0.02 0.00 0.42 0.00 0.00 52.86 55.30 2aei s ASN 100 Cb 0.08 -2.60 0.01 0.00 -1.45 0.00 0.00 41.25 37.30 2aei s ASN 100 CO 0.53 -1.43 0.69 1.41 -3.72 0.00 0.00 177.10 174.58 2aei n HIS 101 N -1.37 -1.92 -2.43 0.43 8.25 -1.26 -4.49 115.22 112.43 2aei n HIS 101 Ca 0.12 0.83 -0.43 0.00 -0.26 0.00 0.00 57.72 57.99 2aei n HIS 101 Cb 0.50 -4.20 0.00 0.00 1.12 0.00 0.00 29.99 27.40 2aei n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2aei n ASP 102 N -3.01 4.89 -4.00 0.41 4.64 -1.25 -4.70 116.55 113.53 2aei n ASP 102 Ca -0.25 -3.00 -0.11 0.00 -1.38 0.00 0.00 54.79 50.05 2aei n ASP 102 Cb 0.66 -1.57 -0.12 0.00 -1.04 0.00 0.00 41.12 39.05 2aei n ASP 102 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 2aei s ILE 103 N 1.73 0.27 -0.00 5.18 2.07 -1.26 -3.96 121.20 125.22 2aei s ILE 103 Ca 0.44 -0.87 -0.08 0.00 -1.41 0.00 0.00 60.65 58.72 2aei s ILE 103 Cb 0.06 -0.37 0.01 0.00 0.13 0.00 0.00 42.46 42.29 2aei s ILE 103 CO -0.00 -0.39 0.16 0.00 -1.91 0.00 0.00 174.94 172.80 2aei s ALA 104 N -1.26 -0.39 -0.11 1.50 0.00 0.39 -3.44 121.76 118.44 2aei s ALA 104 Ca -0.12 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 51.83 2aei s ALA 104 Cb -0.09 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.12 2aei s ALA 104 CO -0.00 -0.21 -0.17 -1.17 0.00 0.00 0.00 175.76 174.20 2aei s LEU 105 N -1.28 1.84 -0.11 0.00 0.20 0.05 -0.77 118.68 118.61 2aei s LEU 105 Ca -0.14 -0.48 0.01 0.00 0.69 0.00 0.00 54.13 54.21 2aei s LEU 105 Cb -0.07 -1.19 -0.02 0.00 -0.43 0.00 0.00 46.19 44.48 2aei s LEU 105 CO 0.02 0.04 -0.14 -0.76 -0.29 0.00 0.00 176.35 175.22 2aei s LEU 106 N 0.88 2.69 -0.45 -0.68 1.43 -0.31 -0.17 118.68 122.08 2aei s LEU 106 Ca -0.08 -0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 52.53 2aei s LEU 106 Cb -0.15 -1.59 0.04 0.00 0.03 0.00 0.00 46.19 44.51 2aei s LEU 106 CO -0.01 0.20 0.47 -0.60 0.23 0.00 0.00 176.35 176.64 2aei s ARG 107 N 0.16 3.08 0.30 1.70 3.52 0.84 -2.35 118.95 126.20 2aei s ARG 107 Ca -0.07 -0.89 -0.29 0.00 -0.13 0.00 0.00 55.73 54.35 2aei s ARG 107 Cb -0.15 -4.02 -0.10 0.00 -1.56 0.00 0.00 34.95 29.11 2aei s ARG 107 CO 0.05 -0.96 1.38 -0.51 -0.81 0.00 0.00 175.30 174.44 2aei s LEU 108 N 2.16 4.40 0.30 -0.88 1.43 0.14 -0.78 118.68 125.45 2aei s LEU 108 Ca 0.11 2.71 -0.02 0.00 -1.03 0.00 0.00 54.13 55.90 2aei s LEU 108 Cb -0.19 -3.64 0.44 0.00 0.03 0.00 0.00 46.19 42.83 2aei s LEU 108 CO 0.12 -0.64 1.93 -0.74 0.23 0.00 0.00 176.35 177.26 2aei h HIS 109 N 4.08 0.98 -3.98 0.29 -0.00 -1.52 -3.43 115.15 111.59 2aei h HIS 109 Ca -0.48 -0.01 -0.35 0.00 -0.00 0.00 0.00 60.37 59.54 2aei h HIS 109 Cb 1.22 -0.32 -0.25 0.00 -0.00 0.00 0.00 27.41 28.06 2aei h HIS 109 CO 0.57 0.67 -0.76 -0.65 -0.00 0.00 0.00 177.93 177.76 2aei s GLN 110 N -5.73 0.63 0.13 5.26 -1.52 -1.26 -5.04 119.66 112.13 2aei s GLN 110 Ca -0.11 -0.55 -0.30 0.00 -1.95 0.00 0.00 55.36 52.45 2aei s GLN 110 Cb 0.17 -0.55 -0.07 0.00 -0.22 0.00 0.00 33.01 32.34 2aei s GLN 110 CO 0.79 0.13 1.24 -1.25 -0.25 0.00 0.00 175.29 175.95 2aei s PRO 111 N -0.89 4.44 1.12 2.91 0.04 -1.26 -4.89 135.00 136.46 2aei s PRO 111 Ca -0.02 1.88 -0.18 0.00 0.04 0.00 0.00 61.00 62.73 2aei s PRO 111 Cb -0.06 -3.27 0.25 0.00 0.04 0.00 0.00 34.50 31.45 2aei s PRO 111 CO 0.00 -0.21 1.16 0.14 0.04 0.00 0.00 177.00 178.13 2aei s VAL 112 N 0.52 1.74 -0.21 -0.36 -7.23 -0.99 -5.02 120.40 108.85 2aei s VAL 112 Ca 0.57 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.72 2aei s VAL 112 Cb -0.33 -2.62 0.01 0.00 0.56 0.00 0.00 36.38 34.01 2aei s VAL 112 CO 0.33 0.00 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.34 2aei s VAL 113 N -3.21 2.91 0.08 1.32 1.01 -1.26 -4.91 120.40 116.34 2aei s VAL 113 Ca 0.71 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 61.66 2aei s VAL 113 Cb -0.09 -2.33 -0.09 0.00 0.00 0.00 0.00 36.38 33.86 2aei s VAL 113 CO 0.55 0.41 1.77 -0.76 0.00 0.00 0.00 175.10 177.08 2aei s LEU 114 N 1.40 4.39 0.00 3.92 1.02 -1.26 -4.76 118.68 123.38 2aei s LEU 114 Ca 0.04 2.61 0.02 0.00 0.02 0.00 0.00 54.13 56.82 2aei s LEU 114 Cb -0.14 -3.56 -0.01 0.00 0.02 0.00 0.00 46.19 42.50 2aei s LEU 114 CO -0.06 -0.96 0.06 0.35 0.02 0.00 0.00 176.35 175.76 2aei n THR 115 N 4.91 0.00 0.28 5.49 -2.24 0.74 -4.94 114.28 118.53 2aei n THR 115 Ca 0.17 -0.63 0.13 0.00 -2.27 0.00 0.00 64.05 61.46 2aei n THR 115 Cb 0.40 0.29 0.82 0.00 -2.10 0.00 0.00 70.33 69.73 2aei n THR 115 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2aei h ASP 116 N 0.50 0.00 -0.28 3.42 5.19 -2.00 -1.93 116.42 121.32 2aei h ASP 116 Ca -0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2aei h ASP 116 Cb 0.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.82 2aei h ASP 116 CO 0.10 0.05 0.00 1.41 -3.12 0.00 0.00 179.24 177.68 2aei n HIS 117 N -3.85 0.37 -3.61 4.55 8.25 -1.26 -4.86 115.22 114.81 2aei n HIS 117 Ca -0.03 -0.35 -0.27 0.00 -0.26 0.00 0.00 57.72 56.81 2aei n HIS 117 Cb 0.14 -0.02 -0.16 0.00 1.12 0.00 0.00 29.99 31.07 2aei n HIS 117 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2aei s VAL 118 N -1.01 0.06 -0.11 1.59 1.01 -0.72 -3.82 120.40 117.39 2aei s VAL 118 Ca 0.23 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.65 2aei s VAL 118 Cb 0.13 -0.82 0.03 0.00 0.00 0.00 0.00 36.38 35.72 2aei s VAL 118 CO 0.17 -0.42 0.29 -0.69 0.00 0.00 0.00 175.10 174.44 2aei s VAL 119 N 2.06 -0.00 0.44 2.92 1.01 -1.04 -0.18 120.40 125.61 2aei s VAL 119 Ca 0.04 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.90 2aei s VAL 119 Cb -0.16 -0.41 -0.07 0.00 0.00 0.00 0.00 36.38 35.74 2aei s VAL 119 CO -0.18 0.00 0.85 -2.16 0.00 0.00 0.00 175.10 173.62 2aei s PRO 120 N 0.26 3.85 0.17 2.72 0.04 -1.26 -2.71 135.00 138.06 2aei s PRO 120 Ca -0.01 0.66 -0.17 0.00 0.04 0.00 0.00 61.00 61.53 2aei s PRO 120 Cb -0.03 -2.29 -0.07 0.00 0.04 0.00 0.00 34.50 32.14 2aei s PRO 120 CO -0.01 -0.12 0.62 -1.17 0.04 0.00 0.00 177.00 176.36 2aei s LEU 121 N -3.91 4.35 0.07 -3.56 2.96 0.14 -4.92 118.68 113.81 2aei s LEU 121 Ca 0.54 1.22 -0.30 0.00 -0.22 0.00 0.00 54.13 55.37 2aei s LEU 121 Cb -0.10 -3.36 -0.05 0.00 0.50 0.00 0.00 46.19 43.18 2aei s LEU 121 CO 0.31 0.09 1.04 0.00 -1.32 0.00 0.00 176.35 176.46 2aei s LEU 123 N 0.56 4.57 0.00 0.00 2.96 -1.26 -0.29 118.68 125.21 2aei s LEU 123 Ca 0.52 -0.34 -0.15 0.00 -0.22 0.00 0.00 54.13 53.93 2aei s LEU 123 Cb -0.24 -2.51 0.21 0.00 0.50 0.00 0.00 46.19 44.15 2aei s LEU 123 CO 0.30 -0.55 1.15 -0.81 -1.32 0.00 0.00 176.35 175.12 2aei n PRO 124 N 5.75 -1.44 -3.82 0.98 -0.04 -1.26 -4.98 135.00 130.18 2aei n PRO 124 Ca -0.06 -1.79 -0.34 0.00 -0.04 0.00 0.00 63.50 61.27 2aei n PRO 124 Cb 0.48 -1.26 -0.05 0.00 -0.04 0.00 0.00 33.50 32.63 2aei n PRO 124 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2aei s GLU 125 N -5.53 3.52 0.18 0.54 -1.05 -1.26 -4.92 118.70 110.17 2aei s GLU 125 Ca 0.67 -0.17 -0.06 0.00 -0.15 0.00 0.00 54.97 55.26 2aei s GLU 125 Cb -0.02 -3.10 0.27 0.00 -0.44 0.00 0.00 34.13 30.84 2aei s GLU 125 CO 0.47 0.67 1.02 -2.13 0.95 0.00 0.00 175.26 176.24 2aei n ARG 126 N 1.16 -0.08 0.02 -4.83 0.63 -1.26 -1.81 116.66 110.49 2aei n ARG 126 Ca -0.12 1.01 -0.11 0.00 -0.92 0.00 0.00 57.85 57.71 2aei n ARG 126 Cb 0.53 -1.51 0.02 0.00 0.45 0.00 0.00 32.46 31.95 2aei n ARG 126 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 2aei h THR 127 N 0.00 1.33 -0.20 5.15 1.35 -1.95 0.24 112.91 118.84 2aei h THR 127 Ca 0.30 -1.95 -0.00 0.00 -0.55 0.00 0.00 66.41 64.21 2aei h THR 127 Cb 0.46 1.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.79 2aei h THR 127 CO -0.67 0.60 0.11 0.15 -0.25 0.00 0.00 175.52 175.46 2aei h PHE 128 N 0.39 0.27 -0.21 4.73 3.57 -1.77 -0.11 116.94 123.81 2aei h PHE 128 Ca -0.01 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 2aei h PHE 128 Cb 1.22 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 2aei h PHE 128 CO 0.05 0.26 0.03 0.77 -2.23 0.00 0.00 178.31 177.19 2aei h SER 129 N 0.21 0.34 -0.43 0.41 0.02 -1.39 0.42 113.55 113.13 2aei h SER 129 Ca 0.07 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 60.70 2aei h SER 129 Cb 0.07 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 2aei h SER 129 CO -0.01 0.52 0.07 -0.33 -1.14 0.00 0.00 176.83 175.94 2aei h GLU 129 N 0.15 0.78 -0.00 3.45 5.08 -0.41 0.39 114.58 124.02 2aei h GLU 129 Ca 0.06 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2aei h GLU 129 Cb 0.32 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2aei h GLU 129 CO 0.00 0.74 -0.38 2.89 -1.00 0.00 0.00 179.01 181.26 2aei n ARG 129 N -4.26 4.03 0.06 2.33 1.85 -0.06 -4.52 116.66 116.09 2aei n ARG 129 Ca 0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 2aei n ARG 129 Cb 0.25 -0.91 0.00 0.00 -1.05 0.00 0.00 32.46 30.75 2aei n ARG 129 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2aei n THR 129 N -1.12 1.14 0.25 8.89 -1.04 0.14 -4.75 114.28 117.79 2aei n THR 129 Ca 0.02 0.38 0.12 0.00 -2.04 0.00 0.00 64.05 62.52 2aei n THR 129 Cb 0.14 -1.51 0.66 0.00 -1.82 0.00 0.00 70.33 67.80 2aei n THR 129 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2aei h LEU 129 N 0.00 0.00 -0.83 -4.42 3.38 -1.29 -1.34 115.31 110.81 2aei h LEU 129 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2aei h LEU 129 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2aei h LEU 129 CO 0.00 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.68 2aei n ALA 129 N -2.29 1.34 0.70 1.53 0.00 0.12 -2.65 120.51 119.27 2aei n ALA 129 Ca -0.02 0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.62 2aei n ALA 129 Cb 0.27 -1.29 0.07 0.00 0.00 0.00 0.00 19.45 18.50 2aei n ALA 129 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2aei n PHE 129 N -2.07 0.00 -2.85 0.00 3.72 -0.51 -4.86 117.46 110.89 2aei n PHE 129 Ca 0.01 -0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 2aei n PHE 129 Cb 0.12 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.62 2aei n PHE 129 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2aei s VAL 129 N -1.41 4.85 0.03 -4.37 -7.23 -1.08 -4.96 120.40 106.22 2aei s VAL 129 Ca 0.20 1.70 -0.09 0.00 -1.81 0.00 0.00 61.98 61.98 2aei s VAL 129 Cb 0.14 -4.17 -0.03 0.00 0.56 0.00 0.00 36.38 32.88 2aei s VAL 129 CO 0.21 -0.00 1.14 -0.09 -0.31 0.00 0.00 175.10 176.05 2aei h ARG 134 N 7.36 -0.16 -6.29 4.82 9.65 -1.89 -3.44 114.38 124.43 2aei h ARG 134 Ca -0.28 0.01 -0.56 0.00 -1.10 0.00 0.00 59.98 58.05 2aei h ARG 134 Cb 1.12 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.70 2aei h ARG 134 CO 0.85 -0.11 -0.08 -0.06 2.80 0.00 0.00 179.97 183.38 2aei s PHE 135 N -3.69 3.66 0.04 2.20 0.40 -1.26 -0.34 117.98 118.99 2aei s PHE 135 Ca -0.04 1.11 -0.03 0.00 -0.60 0.00 0.00 56.93 57.37 2aei s PHE 135 Cb 0.02 -2.40 -0.02 0.00 0.51 0.00 0.00 43.02 41.13 2aei s PHE 135 CO 0.15 0.47 0.02 -1.12 0.70 0.00 0.00 175.22 175.45 2aei s SER 136 N -1.55 0.32 0.27 1.36 0.01 -0.39 -4.66 113.70 109.06 2aei s SER 136 Ca 0.35 -0.74 -0.17 0.00 1.31 0.00 0.00 55.95 56.70 2aei s SER 136 Cb -0.16 0.20 -0.09 0.00 0.21 0.00 0.00 66.02 66.18 2aei s SER 136 CO 0.19 -0.53 0.73 -0.76 0.41 0.00 0.00 173.24 173.28 2aei s LEU 137 N -2.40 4.20 -0.03 2.44 1.02 -0.47 -0.90 118.68 122.53 2aei s LEU 137 Ca -0.01 1.34 0.02 0.00 0.02 0.00 0.00 54.13 55.50 2aei s LEU 137 Cb 0.02 -3.82 0.01 0.00 0.02 0.00 0.00 46.19 42.41 2aei s LEU 137 CO -0.07 -0.08 -0.08 -0.69 0.02 0.00 0.00 176.35 175.45 2aei s VAL 138 N -1.75 0.73 0.21 -1.59 1.01 0.18 -1.56 120.40 117.64 2aei s VAL 138 Ca 0.48 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 62.09 2aei s VAL 138 Cb -0.13 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 2aei s VAL 138 CO 0.19 0.24 0.32 -0.94 0.00 0.00 0.00 175.10 174.91 2aei s SER 139 N 0.43 0.02 0.00 3.32 1.04 -1.22 0.58 113.70 117.88 2aei s SER 139 Ca -0.07 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.29 2aei s SER 139 Cb -0.11 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2aei s SER 139 CO 0.01 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.85 2aei n GLY 140 N -0.31 -1.79 2.34 7.32 0.00 -0.60 -4.45 105.19 107.71 2aei n GLY 140 Ca -0.02 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 2aei n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2aei n TRP 141 N 1.73 3.07 -2.22 1.61 8.01 -1.26 -1.98 117.44 126.40 2aei n TRP 141 Ca 0.00 -2.65 -0.11 0.00 -1.31 0.00 0.00 57.50 53.43 2aei n TRP 141 Cb 0.00 -0.60 0.06 0.00 -2.01 0.00 0.00 31.31 28.77 2aei n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2aei n GLY 142 N -0.66 0.31 3.74 6.99 0.00 -1.26 -3.63 105.19 110.69 2aei n GLY 142 Ca 0.48 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 2aei n GLY 142 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2aei n GLN 143 N -1.94 2.24 0.00 1.61 6.02 -0.82 -2.42 117.38 122.07 2aei n GLN 143 Ca 0.08 0.79 0.14 0.00 -0.01 0.00 0.00 57.00 58.00 2aei n GLN 143 Cb 0.27 -2.53 0.69 0.00 1.02 0.00 0.00 30.24 29.69 2aei n GLN 143 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2aei n LEU 144 N 0.19 0.05 -3.63 1.08 7.99 0.14 -1.21 117.00 121.60 2aei n LEU 144 Ca 0.05 0.32 -0.03 0.00 -0.01 0.00 0.00 56.01 56.34 2aei n LEU 144 Cb 0.40 -0.34 -0.02 0.00 -0.11 0.00 0.00 43.42 43.35 2aei n LEU 144 CO 0.61 0.01 1.13 -1.48 -1.51 0.00 0.00 177.39 176.14 2aei s LEU 145 N -2.70 -0.05 -0.46 2.23 0.05 -1.26 -4.43 118.68 112.05 2aei s LEU 145 Ca 0.24 -0.00 -0.43 0.00 0.05 0.00 0.00 54.13 53.99 2aei s LEU 145 Cb 0.20 1.15 -0.18 0.00 -2.05 0.00 0.00 46.19 45.31 2aei s LEU 145 CO 0.49 -0.09 2.03 -0.67 -0.55 0.00 0.00 176.35 177.56 2aei n ASP 146 N -0.05 1.16 0.00 1.48 -0.08 -1.26 0.98 116.55 118.78 2aei n ASP 146 Ca 0.03 0.75 0.00 0.00 -1.51 0.00 0.00 54.79 54.06 2aei n ASP 146 Cb 0.57 -0.97 0.00 0.00 2.34 0.00 0.00 41.12 43.06 2aei n ASP 146 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2aei n ARG 147 N 6.89 0.00 0.00 -0.67 1.74 -1.26 -4.97 116.66 118.39 2aei n ARG 147 Ca 0.47 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 2aei n ARG 147 Cb 0.01 -3.56 0.00 0.00 -1.02 0.00 0.00 32.46 27.89 2aei n ARG 147 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2aei n GLY 149 N -2.00 -1.90 3.85 -0.13 0.00 0.27 -5.04 105.19 100.25 2aei n GLY 149 Ca 0.00 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 2aei n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aei s ALA 150 N -3.38 2.35 0.42 4.61 0.00 -1.26 -4.67 121.76 119.84 2aei s ALA 150 Ca 0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 2aei s ALA 150 Cb 0.00 -3.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.09 2aei s ALA 150 CO 0.00 -1.80 0.65 0.99 0.00 0.00 0.00 175.76 175.61 2aei s THR 151 N -3.39 4.51 0.23 0.00 2.01 -1.26 0.24 115.64 117.97 2aei s THR 151 Ca 0.62 -0.36 -0.01 0.00 0.31 0.00 0.00 61.69 62.24 2aei s THR 151 Cb -0.13 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2aei s THR 151 CO 0.51 -0.50 0.43 0.00 -0.69 0.00 0.00 174.62 174.38 2aei s ALA 152 N -2.52 3.78 -0.21 7.40 0.00 -1.02 -4.78 121.76 124.42 2aei s ALA 152 Ca 0.45 -0.78 0.10 0.00 0.00 0.00 0.00 51.96 51.73 2aei s ALA 152 Cb -0.10 -2.06 -0.22 0.00 0.00 0.00 0.00 23.12 20.74 2aei s ALA 152 CO 0.39 0.36 0.01 1.28 0.00 0.00 0.00 175.76 177.80 2aei n LEU 153 N -0.80 1.34 -4.74 0.00 4.77 -1.26 -4.77 117.00 111.54 2aei n LEU 153 Ca -0.04 -0.01 -0.34 0.00 -0.03 0.00 0.00 56.01 55.58 2aei n LEU 153 Cb 0.54 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 2aei n LEU 153 CO 0.48 0.68 -0.27 -1.61 -1.33 0.00 0.00 177.39 175.34 2aei s GLU 154 N -2.51 3.04 0.25 3.23 2.02 -1.26 -0.08 118.70 123.40 2aei s GLU 154 Ca -0.20 -0.42 -0.30 0.00 0.02 0.00 0.00 54.97 54.07 2aei s GLU 154 Cb 0.07 -2.85 -0.14 0.00 0.10 0.00 0.00 34.13 31.32 2aei s GLU 154 CO 0.74 0.69 1.23 -0.11 0.02 0.00 0.00 175.26 177.82 2aei n LEU 155 N 1.75 2.47 -4.38 1.80 7.94 -0.13 -4.87 117.00 121.59 2aei n LEU 155 Ca -0.17 1.16 -0.31 0.00 -1.11 0.00 0.00 56.01 55.59 2aei n LEU 155 Cb 0.53 -1.35 -0.14 0.00 0.53 0.00 0.00 43.42 42.99 2aei n LEU 155 CO 0.32 -0.91 -0.53 -0.04 -1.11 0.00 0.00 177.39 175.12 2aei s MET 156 N -0.95 2.10 0.24 1.96 -1.94 -0.84 -0.59 119.30 119.29 2aei s MET 156 Ca 0.65 -0.94 0.10 0.00 -1.71 0.00 0.00 55.69 53.78 2aei s MET 156 Cb -0.70 -2.12 -0.05 0.00 2.01 0.00 0.00 34.83 33.97 2aei s MET 156 CO 0.55 0.56 -0.17 0.14 -0.01 0.00 0.00 175.02 176.08 2aei s VAL 157 N -0.75 2.12 -0.18 -6.03 -7.23 0.14 -1.55 120.40 106.93 2aei s VAL 157 Ca 0.12 -2.32 -0.16 0.00 -1.81 0.00 0.00 61.98 57.81 2aei s VAL 157 Cb -0.10 -2.18 0.05 0.00 0.56 0.00 0.00 36.38 34.71 2aei s VAL 157 CO 0.01 -0.49 0.47 -0.22 -0.31 0.00 0.00 175.10 174.56 2aei s LEU 158 N -3.42 0.21 -0.23 1.32 0.20 0.20 -0.30 118.68 116.66 2aei s LEU 158 Ca 0.26 0.94 -0.10 0.00 0.69 0.00 0.00 54.13 55.93 2aei s LEU 158 Cb -0.03 1.60 -0.05 0.00 -0.43 0.00 0.00 46.19 47.28 2aei s LEU 158 CO 0.11 -0.16 0.13 0.21 -0.29 0.00 0.00 176.35 176.35 2aei s ASN 159 N 0.28 5.90 -0.02 3.68 3.04 -1.26 0.48 114.94 127.05 2aei s ASN 159 Ca -0.00 0.06 0.04 0.00 0.04 0.00 0.00 52.86 53.00 2aei s ASN 159 Cb -0.03 -2.06 -0.01 0.00 -1.54 0.00 0.00 41.25 37.61 2aei s ASN 159 CO 0.00 0.07 -0.14 0.68 -3.04 0.00 0.00 177.10 174.67 2aei s VAL 160 N 1.04 1.12 -0.06 -5.21 -7.23 -0.08 -4.92 120.40 105.06 2aei s VAL 160 Ca 0.06 -0.58 -0.28 0.00 -1.81 0.00 0.00 61.98 59.37 2aei s VAL 160 Cb -0.14 -0.94 -0.02 0.00 0.56 0.00 0.00 36.38 35.84 2aei s VAL 160 CO 0.04 0.32 0.93 -2.16 -0.31 0.00 0.00 175.10 173.92 2aei s PRO 161 N -0.18 4.47 0.59 4.82 0.04 -1.26 -1.26 135.00 142.22 2aei s PRO 161 Ca 0.02 1.29 -0.16 0.00 0.04 0.00 0.00 61.00 62.20 2aei s PRO 161 Cb -0.07 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 2aei s PRO 161 CO 0.00 -0.15 1.05 0.50 0.04 0.00 0.00 177.00 178.45 2aei s ARG 162 N 1.41 3.35 0.02 4.56 3.52 0.53 -1.44 118.95 130.90 2aei s ARG 162 Ca 0.47 1.19 0.01 0.00 -0.13 0.00 0.00 55.73 57.28 2aei s ARG 162 Cb -0.19 -2.04 -0.01 0.00 -1.56 0.00 0.00 34.95 31.15 2aei s ARG 162 CO 0.22 -0.79 -0.05 -0.51 -0.81 0.00 0.00 175.30 173.36 2aei s LEU 163 N -4.48 2.13 0.36 -0.88 1.02 -0.37 -4.93 118.68 111.53 2aei s LEU 163 Ca 0.63 -0.31 -0.26 0.00 0.02 0.00 0.00 54.13 54.22 2aei s LEU 163 Cb -0.16 -0.16 -0.09 0.00 0.02 0.00 0.00 46.19 45.81 2aei s LEU 163 CO 0.37 -0.09 1.07 -0.04 0.02 0.00 0.00 176.35 177.68 2aei s MET 164 N -0.84 4.30 0.29 1.70 -1.94 -1.26 -3.85 119.30 117.71 2aei s MET 164 Ca -0.05 1.63 0.03 0.00 -1.71 0.00 0.00 55.69 55.59 2aei s MET 164 Cb -0.06 -2.76 0.62 0.00 2.01 0.00 0.00 34.83 34.64 2aei s MET 164 CO -0.00 -0.05 1.82 1.15 -0.01 0.00 0.00 175.02 177.93 2aei h THR 165 N 2.49 0.86 -0.99 2.05 2.02 -1.94 -0.93 112.91 116.46 2aei h THR 165 Ca -0.48 -0.32 0.08 0.00 0.77 0.00 0.00 66.41 66.47 2aei h THR 165 Cb 1.22 -0.15 -0.07 0.00 -1.74 0.00 0.00 68.15 67.41 2aei h THR 165 CO 0.64 0.17 0.64 -0.61 0.37 0.00 0.00 175.52 176.72 2aei h GLN 166 N 0.92 1.06 -0.06 6.66 4.15 -1.98 0.46 115.11 126.33 2aei h GLN 166 Ca 0.52 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.83 2aei h GLN 166 Cb 0.62 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.07 2aei h GLN 166 CO -0.30 0.70 -0.16 -0.44 -1.93 0.00 0.00 178.83 176.70 2aei h ASP 167 N 1.09 0.24 -0.91 -0.69 3.45 -1.72 -3.00 116.42 114.90 2aei h ASP 167 Ca 0.45 -0.61 0.13 0.00 0.43 0.00 0.00 57.03 57.44 2aei h ASP 167 Cb 0.28 -0.07 -0.07 0.00 -0.56 0.00 0.00 39.33 38.91 2aei h ASP 167 CO -0.20 0.80 0.58 0.00 -1.57 0.00 0.00 179.24 178.86 2aei n LEU 169 N -4.57 3.05 0.00 0.00 4.32 0.16 -3.13 117.00 116.83 2aei n LEU 169 Ca 0.17 -1.47 0.00 0.00 -0.02 0.00 0.00 56.01 54.69 2aei n LEU 169 Cb 0.43 -0.55 0.00 0.00 -1.62 0.00 0.00 43.42 41.67 2aei n LEU 169 CO 0.29 0.53 0.00 0.00 -1.22 0.00 0.00 177.39 176.99 2aei n GLN 170 N 0.79 0.00 -4.46 3.23 6.02 0.08 -4.90 117.38 118.15 2aei n GLN 170 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 2aei n GLN 170 Cb 0.43 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.59 2aei n GLN 170 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2aei s SER 170 N 0.00 4.65 0.08 1.08 0.01 -1.18 -4.76 113.70 113.57 2aei s SER 170 Ca 0.00 -0.13 -0.31 0.00 1.31 0.00 0.00 55.95 56.82 2aei s SER 170 Cb 0.00 -1.10 -0.09 0.00 0.21 0.00 0.00 66.02 65.04 2aei s SER 170 CO 0.00 0.29 1.79 -0.13 0.41 0.00 0.00 173.24 175.60 2aei s ARG 170 N -1.38 4.16 -1.03 12.44 3.00 -0.14 -4.84 118.95 131.15 2aei s ARG 170 Ca 0.17 2.49 -0.26 0.00 0.00 0.00 0.00 55.73 58.13 2aei s ARG 170 Cb -0.11 -3.72 -0.17 0.00 0.00 0.00 0.00 34.95 30.95 2aei s ARG 170 CO 0.07 -0.83 2.13 -1.59 0.00 0.00 0.00 175.30 175.08 2aei s LYS 170 N 3.09 1.61 -0.47 3.54 0.00 -1.26 -4.92 119.74 121.34 2aei s LYS 170 Ca 0.80 -0.38 -0.26 0.00 0.00 0.00 0.00 55.97 56.13 2aei s LYS 170 Cb -0.43 -5.00 0.03 0.00 0.00 0.00 0.00 37.83 32.43 2aei s LYS 170 CO 0.36 -4.85 0.96 0.08 0.00 0.00 0.00 175.35 171.89 2aei s VAL 170 N 14.92 4.43 -0.78 1.79 1.01 -1.26 -4.91 120.40 135.60 2aei s VAL 170 Ca 0.80 0.80 0.00 0.00 0.00 0.00 0.00 61.98 63.59 2aei s VAL 170 Cb -0.06 -4.46 0.00 0.00 0.00 0.00 0.00 36.38 31.86 2aei s VAL 170 CO 0.14 -0.87 0.70 0.61 0.00 0.00 0.00 175.10 175.68 2aei n GLY 170 N 4.93 -0.24 0.09 4.51 0.00 -1.26 -0.88 105.19 112.33 2aei n GLY 170 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 2aei n GLY 170 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2aei n ASP 170 N -1.20 0.74 -4.72 1.61 8.00 -1.26 -5.04 116.55 114.68 2aei n ASP 170 Ca 0.00 -0.87 -0.42 0.00 0.71 0.00 0.00 54.79 54.21 2aei n ASP 170 Cb 0.14 0.54 -0.02 0.00 -0.02 0.00 0.00 41.12 41.76 2aei n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2aei n SER 170 N -0.47 3.79 -4.74 -2.24 3.41 -0.06 -4.93 113.62 108.38 2aei n SER 170 Ca 0.02 1.11 -0.41 0.00 -0.26 0.00 0.00 58.87 59.32 2aei n SER 170 Cb 0.09 -1.56 -0.03 0.00 -0.26 0.00 0.00 64.21 62.44 2aei n SER 170 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2aei s PRO 170 N 0.32 4.45 0.43 4.33 0.04 -1.26 -4.96 135.00 138.34 2aei s PRO 170 Ca 0.70 1.94 -0.24 0.00 0.04 0.00 0.00 61.00 63.45 2aei s PRO 170 Cb -0.52 -3.22 -0.11 0.00 0.04 0.00 0.00 34.50 30.69 2aei s PRO 170 CO 0.41 -0.15 0.93 0.09 0.04 0.00 0.00 177.00 178.32 2aei n ASN 175 N 2.53 0.86 -4.55 6.66 3.02 -1.26 -4.94 115.26 117.59 2aei n ASN 175 Ca 0.05 1.00 -0.43 0.00 -0.03 0.00 0.00 54.58 55.17 2aei n ASN 175 Cb 0.44 -1.31 -0.05 0.00 -0.61 0.00 0.00 39.78 38.24 2aei n ASN 175 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2aei s ILE 176 N -1.32 4.64 0.89 2.41 1.09 -1.26 -4.98 121.20 122.67 2aei s ILE 176 Ca 0.64 0.52 -0.10 0.00 -1.10 0.00 0.00 60.65 60.60 2aei s ILE 176 Cb -0.56 -4.32 0.19 0.00 -1.06 0.00 0.00 42.46 36.71 2aei s ILE 176 CO 0.56 -0.70 1.22 0.42 -0.10 0.00 0.00 174.94 176.34 2aei s THR 177 N 3.32 2.01 -1.71 2.92 -4.23 -1.26 -4.96 115.64 111.74 2aei s THR 177 Ca 0.31 -0.25 0.22 0.00 -1.18 0.00 0.00 61.69 60.80 2aei s THR 177 Cb -0.12 -2.77 0.51 0.00 1.34 0.00 0.00 72.50 71.46 2aei s THR 177 CO 0.22 0.00 1.72 -1.84 -0.54 0.00 0.00 174.62 174.19 2aei n GLU 178 N -3.46 0.51 -0.32 3.99 0.28 -1.26 -2.33 120.64 118.04 2aei n GLU 178 Ca 0.16 0.04 0.11 0.00 -0.16 0.00 0.00 57.16 57.32 2aei n GLU 178 Cb 0.60 -1.50 0.29 0.00 1.43 0.00 0.00 31.44 32.26 2aei n GLU 178 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2aei n TYR 179 N -1.15 0.85 -3.82 -1.84 4.01 -1.26 -4.92 117.16 109.04 2aei n TYR 179 Ca 0.14 -0.43 -0.09 0.00 -0.16 0.00 0.00 57.90 57.36 2aei n TYR 179 Cb 0.13 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.10 2aei n TYR 179 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2aei s MET 180 N -1.15 1.02 0.06 -0.72 0.23 -0.98 -0.36 119.30 117.39 2aei s MET 180 Ca 0.45 -0.95 0.00 0.00 -1.03 0.00 0.00 55.69 54.16 2aei s MET 180 Cb 0.24 0.39 -0.03 0.00 -1.53 0.00 0.00 34.83 33.90 2aei s MET 180 CO 0.31 -0.37 -0.05 -0.59 -2.03 0.00 0.00 175.02 172.30 2aei s PHE 181 N -3.88 0.59 0.25 3.16 -0.12 -0.26 -4.73 117.98 113.00 2aei s PHE 181 Ca 0.08 -0.83 0.02 0.00 -0.05 0.00 0.00 56.93 56.15 2aei s PHE 181 Cb 0.03 -0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 42.00 2aei s PHE 181 CO -0.08 -0.23 0.41 0.00 -0.05 0.00 0.00 175.22 175.27 2aei s ALA 183 N -2.01 -1.93 0.00 0.00 0.00 -0.69 -1.23 121.76 115.90 2aei s ALA 183 Ca 0.37 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.84 2aei s ALA 183 Cb -0.10 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.47 2aei s ALA 183 CO 0.31 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.11 2aei n GLY 184 N 0.56 0.25 3.20 0.00 0.00 -0.52 -2.49 105.19 106.18 2aei n GLY 184 Ca -0.09 -1.92 -0.19 0.00 0.00 0.00 0.00 46.02 43.81 2aei n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aei s TYR 184 N -0.59 1.35 -1.42 1.61 2.02 -1.26 -4.36 117.35 114.71 2aei s TYR 184 Ca 0.00 -0.47 0.22 0.00 -0.37 0.00 0.00 57.07 56.45 2aei s TYR 184 Cb 0.00 -0.75 -0.07 0.00 -0.40 0.00 0.00 41.96 40.74 2aei s TYR 184 CO 0.00 0.10 1.02 0.45 -1.57 0.00 0.00 175.55 175.55 2aei n SER 185 N 1.13 1.36 -0.59 2.29 2.88 -1.26 -4.37 113.62 115.06 2aei n SER 185 Ca -0.20 -1.15 0.04 0.00 -1.33 0.00 0.00 58.87 56.24 2aei n SER 185 Cb 0.54 0.73 0.13 0.00 -0.75 0.00 0.00 64.21 64.86 2aei n SER 185 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2aei n ASP 186 N -0.92 1.70 -2.62 -3.46 3.85 -1.26 -0.41 116.55 113.42 2aei n ASP 186 Ca 0.06 -2.05 -0.18 0.00 -0.71 0.00 0.00 54.79 51.92 2aei n ASP 186 Cb 0.38 -0.24 0.04 0.00 -1.35 0.00 0.00 41.12 39.96 2aei n ASP 186 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2aei n GLY 187 N 0.85 -0.22 0.05 6.12 0.00 -1.25 -4.82 105.19 105.92 2aei n GLY 187 Ca 0.10 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 2aei n GLY 187 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2aei n SER 188 N -1.75 2.87 -3.93 1.61 3.41 -1.26 -4.87 113.62 109.70 2aei n SER 188 Ca -0.04 -0.03 -0.10 0.00 -0.26 0.00 0.00 58.87 58.44 2aei n SER 188 Cb 0.57 0.28 -0.10 0.00 -0.26 0.00 0.00 64.21 64.70 2aei n SER 188 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2aei s LYS 188 N -2.23 0.44 0.00 4.33 1.02 -1.26 -4.27 119.74 117.77 2aei s LYS 188 Ca -0.10 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.32 2aei s LYS 188 Cb 0.03 0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.52 2aei s LYS 188 CO 0.33 -0.09 0.00 -3.47 -0.92 0.00 0.00 175.35 171.20 2aei n ASP 189 N 1.35 0.00 -4.42 2.83 2.03 -0.92 -3.98 116.55 113.44 2aei n ASP 189 Ca -0.22 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.79 2aei n ASP 189 Cb 0.56 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 41.13 2aei n ASP 189 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2aei s SER 190 N 0.00 2.73 0.19 1.67 1.04 -1.26 -0.90 113.70 117.17 2aei s SER 190 Ca 0.00 0.77 -0.17 0.00 0.48 0.00 0.00 55.95 57.03 2aei s SER 190 Cb 0.00 -1.17 0.02 0.00 0.10 0.00 0.00 66.02 64.97 2aei s SER 190 CO 0.00 -3.02 0.51 0.00 0.98 0.00 0.00 173.24 171.70 2aei n LYS 192 N -0.33 1.08 0.00 0.00 5.02 -1.26 -1.01 118.16 121.66 2aei n LYS 192 Ca -0.10 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 2aei n LYS 192 Cb 0.62 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 2aei n LYS 192 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aei n GLY 193 N 1.54 2.67 0.01 0.72 0.00 -1.26 -1.95 105.19 106.93 2aei n GLY 193 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 2aei n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2aei n ASP 194 N 0.00 0.33 -3.75 1.61 8.00 -0.18 -4.07 116.55 118.49 2aei n ASP 194 Ca 0.00 -0.27 -0.38 0.00 0.71 0.00 0.00 54.79 54.84 2aei n ASP 194 Cb 0.00 1.62 -0.01 0.00 -0.02 0.00 0.00 41.12 42.70 2aei n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2aei n SER 195 N -2.05 -1.90 0.00 -2.24 7.64 -1.26 -0.76 113.62 113.05 2aei n SER 195 Ca -0.01 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.68 2aei n SER 195 Cb 0.50 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 2aei n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aei n GLY 196 N 1.90 2.22 3.37 0.23 0.00 0.13 -1.90 105.19 111.14 2aei n GLY 196 Ca 0.12 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 2aei n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aei n GLY 197 N 0.00 -2.17 3.86 -0.02 0.00 0.06 -3.78 105.19 103.14 2aei n GLY 197 Ca 0.00 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 2aei n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2aei s PRO 198 N -3.81 3.89 -0.32 1.61 0.04 -1.26 -1.62 135.00 133.53 2aei s PRO 198 Ca 0.60 0.53 0.01 0.00 0.04 0.00 0.00 61.00 62.19 2aei s PRO 198 Cb -0.18 -2.45 0.10 0.00 0.04 0.00 0.00 34.50 32.01 2aei s PRO 198 CO 0.66 0.11 0.07 -1.58 0.04 0.00 0.00 177.00 176.30 2aei s HIS 199 N -2.09 2.68 -0.12 0.56 2.46 -0.57 -3.37 115.29 114.84 2aei s HIS 199 Ca 0.52 -2.32 -0.03 0.00 0.47 0.00 0.00 55.06 53.69 2aei s HIS 199 Cb -0.10 -2.27 -0.03 0.00 -0.13 0.00 0.00 32.58 30.04 2aei s HIS 199 CO 0.23 -0.91 -0.00 0.00 -2.47 0.00 0.00 174.74 171.59 2aei s ALA 200 N 1.28 3.20 -0.15 1.58 0.00 -0.60 -1.34 121.76 125.73 2aei s ALA 200 Ca 0.10 -0.80 -0.03 0.00 0.00 0.00 0.00 51.96 51.22 2aei s ALA 200 Cb -0.18 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 2aei s ALA 200 CO -0.17 0.41 -0.04 0.99 0.00 0.00 0.00 175.76 176.96 2aei s THR 201 N -0.31 3.91 -0.03 0.00 2.01 -0.27 -1.37 115.64 119.58 2aei s THR 201 Ca 0.06 -0.36 -0.21 0.00 0.31 0.00 0.00 61.69 61.50 2aei s THR 201 Cb -0.12 -2.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 2aei s THR 201 CO 0.02 0.51 0.61 -2.28 -0.69 0.00 0.00 174.62 172.79 2aei s HIS 202 N 0.21 3.65 -0.20 4.92 2.46 -1.26 -1.41 115.29 123.66 2aei s HIS 202 Ca -0.02 1.19 -0.05 0.00 0.47 0.00 0.00 55.06 56.64 2aei s HIS 202 Cb -0.14 -2.65 0.10 0.00 -0.13 0.00 0.00 32.58 29.76 2aei s HIS 202 CO 0.03 0.28 0.38 -0.47 -2.47 0.00 0.00 174.74 172.49 2aei s TYR 203 N 0.09 -0.74 -1.40 3.88 5.04 0.19 -4.96 117.35 119.45 2aei s TYR 203 Ca 0.32 1.26 -0.04 0.00 -2.44 0.00 0.00 57.07 56.16 2aei s TYR 203 Cb -0.18 0.17 0.00 0.00 0.35 0.00 0.00 41.96 42.31 2aei s TYR 203 CO 0.17 -0.52 0.36 0.54 -1.34 0.00 0.00 175.55 174.76 2aei n ARG 204 N 5.38 -2.32 -0.84 4.97 1.74 -1.26 -2.12 116.66 122.20 2aei n ARG 204 Ca -0.07 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 2aei n ARG 204 Cb 0.50 -4.12 0.00 0.00 -1.02 0.00 0.00 32.46 27.81 2aei n ARG 204 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2aei n GLY 205 N -2.12 0.58 3.11 -0.13 0.00 -1.26 -5.04 105.19 100.33 2aei n GLY 205 Ca -0.28 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 2aei n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aei s THR 206 N -2.00 0.08 -0.17 2.61 2.01 -0.90 -5.15 115.64 112.11 2aei s THR 206 Ca 0.00 -0.63 -0.08 0.00 0.31 0.00 0.00 61.69 61.29 2aei s THR 206 Cb 0.00 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 2aei s THR 206 CO 0.00 -0.35 0.08 0.26 -0.69 0.00 0.00 174.62 173.93 2aei s TRP 207 N -1.28 3.32 0.21 4.92 0.52 -1.26 -0.64 118.94 124.73 2aei s TRP 207 Ca -0.14 0.19 0.11 0.00 0.02 0.00 0.00 56.10 56.29 2aei s TRP 207 Cb -0.07 -2.07 -0.05 0.00 -1.15 0.00 0.00 33.47 30.14 2aei s TRP 207 CO 0.02 0.27 -0.22 0.71 0.02 0.00 0.00 176.95 177.74 2aei s TYR 208 N 0.15 2.24 -0.34 -1.98 2.02 -0.50 -2.39 117.35 116.56 2aei s TYR 208 Ca 0.06 -0.37 -0.25 0.00 -0.37 0.00 0.00 57.07 56.15 2aei s TYR 208 Cb -0.12 -1.07 0.01 0.00 -0.40 0.00 0.00 41.96 40.38 2aei s TYR 208 CO 0.00 0.54 0.86 -1.17 -1.57 0.00 0.00 175.55 174.21 2aei s LEU 209 N -2.91 4.06 -0.02 -1.29 0.20 0.60 -1.11 118.68 118.21 2aei s LEU 209 Ca 0.23 0.62 0.09 0.00 0.69 0.00 0.00 54.13 55.75 2aei s LEU 209 Cb -0.07 -3.17 -0.13 0.00 -0.43 0.00 0.00 46.19 42.39 2aei s LEU 209 CO 0.11 -0.74 0.17 0.35 -0.29 0.00 0.00 176.35 175.95 2aei n THR 210 N 5.75 0.06 -3.52 3.68 -2.24 -0.45 -4.53 114.28 113.02 2aei n THR 210 Ca 0.05 -0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 2aei n THR 210 Cb 0.48 0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.85 2aei n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2aei s GLY 211 N -3.10 -0.48 -0.15 3.38 0.00 -0.78 -3.15 107.32 103.03 2aei s GLY 211 Ca -0.03 0.42 -0.01 0.00 0.00 0.00 0.00 44.72 45.10 2aei s GLY 211 CO 0.36 0.11 -0.11 -0.42 0.00 0.00 0.00 173.10 173.04 2aei s ILE 212 N -3.29 3.13 -0.01 0.90 1.01 -1.13 -1.52 121.20 120.29 2aei s ILE 212 Ca -0.01 -0.62 -0.32 0.00 0.00 0.00 0.00 60.65 59.70 2aei s ILE 212 Cb -0.00 -2.34 -0.10 0.00 0.01 0.00 0.00 42.46 40.03 2aei s ILE 212 CO -0.09 0.51 1.93 0.52 0.00 0.00 0.00 174.94 177.81 2aei n VAL 213 N 3.78 0.67 0.01 2.92 0.31 -0.64 -1.01 118.33 124.36 2aei n VAL 213 Ca -0.18 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2aei n VAL 213 Cb 0.52 -2.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 2aei n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2aei n SER 214 N 7.04 0.12 -2.97 4.52 2.88 -1.18 0.17 113.62 124.20 2aei n SER 214 Ca 0.21 0.02 -0.13 0.00 -1.33 0.00 0.00 58.87 57.63 2aei n SER 214 Cb 0.36 -0.04 -0.02 0.00 -0.75 0.00 0.00 64.21 63.76 2aei n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2aei n TRP 215 N -2.61 -1.70 0.00 0.66 4.27 -1.01 -4.87 117.44 112.17 2aei n TRP 215 Ca 0.00 -2.26 0.00 0.00 -3.89 0.00 0.00 57.50 51.35 2aei n TRP 215 Cb 0.00 0.66 0.00 0.00 -1.36 0.00 0.00 31.31 30.61 2aei n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2aei n GLY 216 N -0.58 1.14 3.49 -1.67 0.00 -1.26 -0.40 105.19 105.91 2aei n GLY 216 Ca -0.02 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 2aei n GLY 216 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aei s GLN 217 N -2.00 3.82 0.41 1.61 -1.52 -1.26 -4.84 119.66 115.88 2aei s GLN 217 Ca 0.00 -1.97 0.00 0.00 -1.95 0.00 0.00 55.36 51.44 2aei s GLN 217 Cb 0.00 -5.13 0.00 0.00 -0.22 0.00 0.00 33.01 27.66 2aei s GLN 217 CO 0.00 -1.91 0.00 0.41 -0.25 0.00 0.00 175.29 173.54 2aei n GLY 219 N 5.23 -3.74 3.70 3.09 0.00 -1.26 -4.43 105.19 107.77 2aei n GLY 219 Ca 0.33 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 2aei n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aei n ALA 221 N 4.90 -2.39 -2.45 0.00 0.00 -1.26 -4.46 120.51 114.85 2aei n ALA 221 Ca 0.12 -0.20 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 2aei n ALA 221 Cb 0.43 -3.60 -0.05 0.00 0.00 0.00 0.00 19.45 16.23 2aei n ALA 221 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2aei s THR 221 N -3.56 4.97 -0.09 0.00 2.01 -1.25 -4.26 115.64 113.45 2aei s THR 221 Ca 0.34 0.41 -0.30 0.00 0.31 0.00 0.00 61.69 62.45 2aei s THR 221 Cb -0.11 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 2aei s THR 221 CO 0.85 -0.05 1.32 -0.69 -0.69 0.00 0.00 174.62 175.35 2aei s VAL 222 N -1.79 4.09 0.00 3.82 1.01 -1.26 -2.92 120.40 123.35 2aei s VAL 222 Ca 0.46 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.82 2aei s VAL 222 Cb -0.11 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.38 2aei s VAL 222 CO 0.22 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.86 2aei n GLY 223 N 3.61 0.80 3.18 4.51 0.00 0.45 -4.81 105.19 112.94 2aei n GLY 223 Ca 0.13 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 2aei n GLY 223 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aei s HIS 224 N -2.00 -0.49 0.29 1.61 4.02 -1.15 -0.97 115.29 116.60 2aei s HIS 224 Ca 0.00 1.08 0.06 0.00 1.02 0.00 0.00 55.06 57.22 2aei s HIS 224 Cb 0.00 0.18 -0.02 0.00 -1.02 0.00 0.00 32.58 31.71 2aei s HIS 224 CO 0.00 -0.30 0.36 -0.06 1.02 0.00 0.00 174.74 175.76 2aei s PHE 225 N 1.35 3.19 0.27 1.40 0.08 -1.26 -4.39 117.98 118.61 2aei s PHE 225 Ca -0.09 -0.15 -0.25 0.00 0.12 0.00 0.00 56.93 56.56 2aei s PHE 225 Cb -0.09 -1.73 -0.09 0.00 -0.57 0.00 0.00 43.02 40.54 2aei s PHE 225 CO -0.11 0.25 0.86 0.20 -0.10 0.00 0.00 175.22 176.33 2aei s GLY 226 N -4.03 2.81 0.02 4.36 0.00 -1.04 -4.56 107.32 104.87 2aei s GLY 226 Ca 0.39 0.42 0.04 0.00 0.00 0.00 0.00 44.72 45.57 2aei s GLY 226 CO 0.29 0.86 -0.08 -1.34 0.00 0.00 0.00 173.10 172.83 2aei s VAL 227 N -1.48 3.53 0.16 1.40 -7.23 0.46 -1.71 120.40 115.54 2aei s VAL 227 Ca 0.45 -0.87 0.10 0.00 -1.81 0.00 0.00 61.98 59.85 2aei s VAL 227 Cb -0.20 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 2aei s VAL 227 CO 0.24 0.35 -0.22 -0.31 -0.31 0.00 0.00 175.10 174.85 2aei s TYR 228 N -1.02 2.09 0.12 2.82 1.51 0.60 -2.41 117.35 121.07 2aei s TYR 228 Ca 0.17 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.53 2aei s TYR 228 Cb -0.11 -1.07 -0.07 0.00 -0.11 0.00 0.00 41.96 40.61 2aei s TYR 228 CO 0.08 0.39 1.16 0.99 -1.11 0.00 0.00 175.55 177.06 2aei s THR 229 N -1.63 3.90 -1.06 -0.71 2.01 -0.18 -1.10 115.64 116.88 2aei s THR 229 Ca 0.16 1.50 -0.21 0.00 0.31 0.00 0.00 61.69 63.45 2aei s THR 229 Cb -0.08 -3.96 0.07 0.00 0.01 0.00 0.00 72.50 68.55 2aei s THR 229 CO 0.08 0.19 1.45 -0.60 -0.69 0.00 0.00 174.62 175.04 2aei s ARG 230 N 0.30 3.69 0.55 4.92 3.52 0.51 -2.83 118.95 129.61 2aei s ARG 230 Ca 0.54 -1.46 0.31 0.00 -0.13 0.00 0.00 55.73 54.99 2aei s ARG 230 Cb -0.30 -5.30 1.47 0.00 -1.56 0.00 0.00 34.95 29.26 2aei s ARG 230 CO 0.33 -2.12 1.90 0.28 -0.81 0.00 0.00 175.30 174.87 2aei h VAL 231 N 6.31 0.54 -0.00 7.11 2.07 -1.85 -1.85 116.25 128.57 2aei h VAL 231 Ca 0.24 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.76 2aei h VAL 231 Cb 0.98 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2aei h VAL 231 CO 1.37 0.00 0.00 0.77 0.02 0.00 0.00 177.57 179.73 2aei h SER 232 N 0.00 0.00 1.27 0.57 4.64 -1.88 0.33 113.55 118.48 2aei h SER 232 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2aei h SER 232 Cb 1.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 2aei h SER 232 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2aei n GLN 233 N -4.16 0.25 -0.11 4.77 1.13 -0.70 -3.58 117.38 114.99 2aei n GLN 233 Ca -0.03 0.29 0.04 0.00 -1.94 0.00 0.00 57.00 55.36 2aei n GLN 233 Cb 0.09 -1.84 0.10 0.00 0.11 0.00 0.00 30.24 28.70 2aei n GLN 233 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2aei n TYR 234 N -2.30 0.28 0.15 1.08 4.01 0.09 -4.77 117.16 115.70 2aei n TYR 234 Ca 0.04 -0.39 -0.16 0.00 -0.16 0.00 0.00 57.90 57.24 2aei n TYR 234 Cb 0.37 -0.02 -0.09 0.00 -0.31 0.00 0.00 39.34 39.29 2aei n TYR 234 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 2aei h ILE 235 N 1.62 0.00 0.00 -0.72 1.08 -1.56 0.69 117.51 118.62 2aei h ILE 235 Ca 0.00 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.41 2aei h ILE 235 Cb 0.61 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.35 2aei h ILE 235 CO 0.00 0.00 -0.27 -0.08 -0.69 0.00 0.00 178.15 177.11 2aei h GLU 236 N -0.76 0.00 -0.26 2.37 4.57 -1.87 0.25 114.58 118.89 2aei h GLU 236 Ca -0.02 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.05 2aei h GLU 236 Cb 0.73 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.31 2aei h GLU 236 CO -0.21 0.27 -0.28 2.35 -1.18 0.00 0.00 179.01 179.96 2aei h TRP 237 N 0.00 0.78 -0.36 0.92 7.01 -1.74 0.22 115.95 122.78 2aei h TRP 237 Ca -0.00 -0.24 -0.01 0.00 2.11 0.00 0.00 58.89 60.75 2aei h TRP 237 Cb 0.51 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.39 2aei h TRP 237 CO 0.00 0.97 0.19 -0.07 -2.79 0.00 0.00 178.44 176.74 2aei h LEU 238 N 0.37 0.46 -0.08 0.65 3.38 0.11 -2.00 115.31 118.19 2aei h LEU 238 Ca 0.04 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2aei h LEU 238 Cb 0.85 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 2aei h LEU 238 CO 0.07 0.43 0.05 1.56 0.09 0.00 0.00 178.44 180.64 2aei h GLN 239 N 0.45 0.11 -0.78 1.13 7.50 -0.33 -1.38 115.11 121.81 2aei h GLN 239 Ca 0.13 -0.01 0.08 0.00 0.50 0.00 0.00 58.65 59.35 2aei h GLN 239 Cb 0.08 -0.02 -0.07 0.00 0.05 0.00 0.00 27.48 27.52 2aei h GLN 239 CO -0.02 0.09 0.45 -0.22 -1.50 0.00 0.00 178.83 177.63 2aei h LYS 240 N 0.09 0.76 -0.16 1.46 3.64 -0.42 -2.45 116.57 119.49 2aei h LYS 240 Ca 0.03 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 2aei h LYS 240 Cb 0.01 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 2aei h LYS 240 CO -0.01 0.50 -0.47 -0.07 -2.27 0.00 0.00 179.45 177.14 2aei h LEU 241 N 0.78 0.44 0.00 5.20 3.38 -1.06 -2.63 115.31 121.42 2aei h LEU 241 Ca 0.37 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2aei h LEU 241 Cb 0.28 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2aei h LEU 241 CO -0.22 0.84 0.00 0.23 0.09 0.00 0.00 178.44 179.38 2aei n MET 242 N -3.98 0.07 -0.00 1.13 2.81 -0.55 -2.30 117.12 114.29 2aei n MET 242 Ca -0.02 0.16 0.10 0.00 -1.81 0.00 0.00 57.70 56.13 2aei n MET 242 Cb 0.54 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.42 2aei n MET 242 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2aei n ARG 243 N -1.45 0.44 -2.82 0.03 1.74 -1.01 -4.99 116.66 108.60 2aei n ARG 243 Ca 0.06 -0.05 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 2aei n ARG 243 Cb 0.20 -1.46 -0.07 0.00 -1.02 0.00 0.00 32.46 30.12 2aei n ARG 243 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2aei s SER 244 N -3.32 7.15 0.54 0.55 0.01 -0.97 -5.04 113.70 112.61 2aei s SER 244 Ca 0.03 1.74 -0.20 0.00 1.31 0.00 0.00 55.95 58.84 2aei s SER 244 Cb 0.15 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.77 2aei s SER 244 CO 0.83 -0.18 1.15 -1.83 0.41 0.00 0.00 173.24 173.62 2aei s GLU 245 N -2.53 3.35 -0.48 12.44 4.04 -1.26 -4.89 118.70 129.37 2aei s GLU 245 Ca 0.55 1.68 -0.26 0.00 0.04 0.00 0.00 54.97 56.97 2aei s GLU 245 Cb -0.14 -2.05 -0.07 0.00 0.02 0.00 0.00 34.13 31.88 2aei s GLU 245 CO 0.19 -0.87 2.41 -2.30 -1.84 0.00 0.00 175.26 172.85 2aei n PRO 246 N -1.22 1.09 -2.36 -4.83 -0.02 -1.26 -4.93 135.00 121.47 2aei n PRO 246 Ca 0.11 0.04 -0.43 0.00 -2.02 0.00 0.00 63.50 61.21 2aei n PRO 246 Cb 0.50 -3.36 -0.02 0.00 -0.02 0.00 0.00 33.50 30.60 2aei n PRO 246 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2aei s ARG 247 N 8.13 4.23 0.37 -0.52 6.06 -1.26 -4.95 118.95 131.01 2aei s ARG 247 Ca 1.00 1.75 -0.24 0.00 -2.50 0.00 0.00 55.73 55.74 2aei s ARG 247 Cb -0.23 -3.78 -0.13 0.00 0.06 0.00 0.00 34.95 30.87 2aei s ARG 247 CO 0.28 -0.70 0.65 -0.35 -2.50 0.00 0.00 175.30 172.67 2aei n PRO 248 N 6.54 0.68 0.00 5.12 -0.04 -1.26 -4.79 135.00 141.25 2aei n PRO 248 Ca 0.14 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 2aei n PRO 248 Cb 0.45 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 2aei n PRO 248 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2aei n GLY 249 N 1.68 2.34 0.09 0.55 0.00 -1.26 -4.95 105.19 103.63 2aei n GLY 249 Ca 0.12 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.36 2aei n GLY 249 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2aei h VAL 250 N 0.00 1.28 -3.80 1.61 2.07 -1.87 -3.45 116.25 112.09 2aei h VAL 250 Ca 0.00 -1.43 -0.48 0.00 0.82 0.00 0.00 66.70 65.61 2aei h VAL 250 Cb 0.00 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 2aei h VAL 250 CO 0.00 0.34 0.35 -0.22 0.02 0.00 0.00 177.57 178.07 2aei s LEU 251 N -8.89 4.54 -0.16 2.57 2.96 -1.26 -0.46 118.68 117.98 2aei s LEU 251 Ca -0.15 1.93 -0.04 0.00 -0.22 0.00 0.00 54.13 55.64 2aei s LEU 251 Cb 0.00 -3.75 0.08 0.00 0.50 0.00 0.00 46.19 43.02 2aei s LEU 251 CO 0.60 0.07 0.25 -0.22 -1.32 0.00 0.00 176.35 175.72 2aei s LEU 252 N -1.49 -0.25 -1.00 -0.68 2.96 -0.19 -4.91 118.68 113.11 2aei s LEU 252 Ca 0.44 0.26 -0.13 0.00 -0.22 0.00 0.00 54.13 54.49 2aei s LEU 252 Cb -0.24 0.59 0.22 0.00 0.50 0.00 0.00 46.19 47.27 2aei s LEU 252 CO 0.30 -0.28 1.04 -0.13 -1.32 0.00 0.00 176.35 175.96 2aei s ARG 253 N 2.39 3.90 0.42 1.98 0.52 -1.26 -1.29 118.95 125.61 2aei s ARG 253 Ca 0.04 -2.66 -0.23 0.00 -0.52 0.00 0.00 55.73 52.36 2aei s ARG 253 Cb -0.14 -4.64 -0.09 0.00 0.52 0.00 0.00 34.95 30.61 2aei s ARG 253 CO -0.10 -1.41 1.06 0.00 0.02 0.00 0.00 175.30 174.87 2aei s ALA 254 N 0.20 3.04 0.33 2.13 0.00 -0.69 -4.43 121.76 122.34 2aei s ALA 254 Ca 0.28 0.71 -0.29 0.00 0.00 0.00 0.00 51.96 52.67 2aei s ALA 254 Cb -0.08 -3.28 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 2aei s ALA 254 CO -0.07 -0.28 1.37 -2.14 0.00 0.00 0.00 175.76 174.64 2aei s PRO 255 N -2.63 4.28 -0.26 0.00 0.02 -1.26 0.37 135.00 135.52 2aei s PRO 255 Ca 0.60 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.94 2aei s PRO 255 Cb -0.22 -3.05 0.05 0.00 0.02 0.00 0.00 34.50 31.30 2aei s PRO 255 CO 0.27 -0.31 -0.08 0.12 -0.33 0.00 0.00 177.00 176.68 2aei s PHE 256 N -0.99 3.18 -2.49 6.54 5.36 -1.26 -4.80 117.98 123.52 2aei s PHE 256 Ca 0.51 -1.97 0.28 0.00 -0.96 0.00 0.00 56.93 54.80 2aei s PHE 256 Cb -0.42 -2.01 1.06 0.00 -0.34 0.00 0.00 43.02 41.31 2aei s PHE 256 CO 0.54 -0.82 1.75 -0.35 -1.46 0.00 0.00 175.22 174.89