#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aij h LEU 12 N 0.00 0.19 -1.27 -2.12 3.38 -2.05 -0.40 115.31 113.03 1aij h LEU 12 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1aij h LEU 12 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1aij h LEU 12 CO 0.00 0.15 0.45 0.00 0.09 0.00 0.00 178.44 179.13 1aij h ALA 13 N 1.21 1.46 -0.32 1.53 0.00 -2.05 0.73 119.26 121.82 1aij h ALA 13 Ca 0.16 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1aij h ALA 13 Cb 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1aij h ALA 13 CO -0.14 0.48 -0.00 0.77 0.00 0.00 0.00 179.25 180.36 1aij h SER 14 N 0.96 0.56 -0.70 0.00 0.02 -1.80 -1.82 113.55 110.77 1aij h SER 14 Ca 0.26 -0.31 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 1aij h SER 14 Cb -0.08 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 1aij h SER 14 CO -0.05 0.73 0.15 0.25 -1.14 0.00 0.00 176.83 176.77 1aij h LEU 15 N 0.37 1.07 -0.15 5.07 5.85 -0.67 -1.75 115.31 125.10 1aij h LEU 15 Ca 0.09 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1aij h LEU 15 Cb 0.45 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1aij h LEU 15 CO 0.02 1.04 0.09 0.00 -0.34 0.00 0.00 178.44 179.25 1aij h ALA 16 N 1.07 0.19 -0.47 1.25 0.00 -0.64 -0.26 119.26 120.41 1aij h ALA 16 Ca 0.22 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1aij h ALA 16 Cb 0.40 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1aij h ALA 16 CO 0.01 -0.29 -0.16 0.97 0.00 0.00 0.00 179.25 179.77 1aij h ILE 17 N 0.17 1.27 -0.32 0.00 6.09 -1.24 -0.63 117.51 122.85 1aij h ILE 17 Ca 0.05 -1.30 0.03 0.00 -1.37 0.00 0.00 64.86 62.28 1aij h ILE 17 Cb 0.03 1.08 -0.03 0.00 0.47 0.00 0.00 36.82 38.37 1aij h ILE 17 CO -0.01 0.45 0.12 0.22 -3.07 0.00 0.00 178.15 175.86 1aij h TYR 18 N 0.80 0.23 -0.21 2.19 3.20 -1.04 -2.34 116.97 119.80 1aij h TYR 18 Ca 0.12 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.90 1aij h TYR 18 Cb 0.71 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 1aij h TYR 18 CO 0.04 0.11 -0.30 0.77 -1.64 0.00 0.00 178.16 177.14 1aij h SER 19 N 0.27 0.43 -0.19 -2.11 0.02 -0.89 -2.83 113.55 108.25 1aij h SER 19 Ca 0.14 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1aij h SER 19 Cb 0.09 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1aij h SER 19 CO -0.13 0.72 0.11 0.15 -1.14 0.00 0.00 176.83 176.54 1aij h PHE 20 N 0.37 0.25 -0.72 3.45 3.57 -0.63 -1.10 116.94 122.14 1aij h PHE 20 Ca 0.05 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.59 1aij h PHE 20 Cb 0.72 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 1aij h PHE 20 CO 0.02 0.22 0.47 -1.49 -2.23 0.00 0.00 178.31 175.31 1aij h TRP 21 N 0.21 0.79 -0.32 0.41 4.06 -1.26 0.26 115.95 120.10 1aij h TRP 21 Ca 0.07 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 61.00 1aij h TRP 21 Cb 0.05 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 27.94 1aij h TRP 21 CO -0.04 0.44 0.06 0.82 -3.56 0.00 0.00 178.44 176.15 1aij h ILE 22 N 0.80 1.23 -0.57 1.49 1.08 -1.23 -1.78 117.51 118.53 1aij h ILE 22 Ca 0.30 -0.79 -0.00 0.00 -0.39 0.00 0.00 64.86 63.98 1aij h ILE 22 Cb 0.17 1.14 -0.03 0.00 -3.07 0.00 0.00 36.82 35.03 1aij h ILE 22 CO -0.09 0.26 0.34 0.15 -0.69 0.00 0.00 178.15 178.12 1aij h PHE 23 N 0.35 0.75 -0.22 1.37 3.57 0.06 -2.49 116.94 120.32 1aij h PHE 23 Ca 0.10 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1aij h PHE 23 Cb 0.33 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1aij h PHE 23 CO 0.02 0.51 -0.03 1.25 -2.23 0.00 0.00 178.31 177.83 1aij h LEU 24 N 0.77 0.42 -1.00 0.59 5.85 -0.34 0.61 115.31 122.21 1aij h LEU 24 Ca 0.20 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.62 1aij h LEU 24 Cb -0.02 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 1aij h LEU 24 CO -0.04 0.66 0.65 0.00 -0.34 0.00 0.00 178.44 179.38 1aij h ALA 25 N 0.77 1.33 -0.53 1.25 0.00 -1.30 -0.22 119.26 120.55 1aij h ALA 25 Ca 0.06 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1aij h ALA 25 Cb 0.47 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1aij h ALA 25 CO 0.02 0.53 -0.09 0.78 0.00 0.00 0.00 179.25 180.49 1aij h GLY 26 N 1.25 1.05 0.88 0.00 0.00 -1.22 -1.64 103.07 103.39 1aij h GLY 26 Ca 0.40 -0.82 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 1aij h GLY 26 CO -0.13 0.75 0.04 -2.00 0.00 0.00 0.00 176.54 175.20 1aij h LEU 27 N 0.87 0.48 -1.18 3.11 5.85 0.09 -0.88 115.31 123.65 1aij h LEU 27 Ca 0.14 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1aij h LEU 27 Cb 0.64 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1aij h LEU 27 CO 0.04 0.62 0.44 0.40 -0.34 0.00 0.00 178.44 179.60 1aij h ILE 28 N 0.31 1.21 0.27 4.05 2.04 -1.01 0.10 117.51 124.48 1aij h ILE 28 Ca 0.09 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1aij h ILE 28 Cb 0.36 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1aij h ILE 28 CO 0.01 0.22 -0.15 0.22 0.00 0.00 0.00 178.15 178.44 1aij h TYR 29 N 1.01 -0.40 -0.22 1.37 3.20 -0.94 -0.80 116.97 120.19 1aij h TYR 29 Ca 0.26 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.18 1aij h TYR 29 Cb -0.03 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.33 1aij h TYR 29 CO 0.00 -0.24 -0.09 -0.92 -1.64 0.00 0.00 178.16 175.28 1aij h TYR 30 N -0.40 -0.20 -0.38 -3.82 3.20 -0.60 -0.52 116.97 114.24 1aij h TYR 30 Ca -0.03 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1aij h TYR 30 Cb 0.32 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1aij h TYR 30 CO -0.08 -0.14 0.22 -0.07 -1.64 0.00 0.00 178.16 176.45 1aij h LEU 31 N -0.05 0.47 -0.35 2.82 3.38 -0.75 0.22 115.31 121.06 1aij h LEU 31 Ca 0.12 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1aij h LEU 31 Cb 0.22 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1aij h LEU 31 CO -0.26 0.41 0.14 1.56 0.09 0.00 0.00 178.44 180.38 1aij h GLN 32 N 0.49 0.52 -0.79 1.13 1.08 -0.87 0.07 115.11 116.75 1aij h GLN 32 Ca 0.13 -0.09 -0.04 0.00 -1.45 0.00 0.00 58.65 57.21 1aij h GLN 32 Cb 0.04 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.35 1aij h GLN 32 CO -0.02 0.51 0.35 1.79 -0.95 0.00 0.00 178.83 180.50 1aij h THR 33 N 0.41 1.25 0.00 -0.54 1.35 -0.88 -1.88 112.91 112.63 1aij h THR 33 Ca 0.12 -0.75 -0.05 0.00 -0.55 0.00 0.00 66.41 65.18 1aij h THR 33 Cb 0.18 0.27 -0.01 0.00 -1.73 0.00 0.00 68.15 66.86 1aij h THR 33 CO -0.01 0.31 -0.25 -0.08 -0.25 0.00 0.00 175.52 175.24 1aij h GLU 34 N 1.13 0.00 -0.14 4.72 4.57 -0.56 -0.29 114.58 124.01 1aij h GLU 34 Ca 0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1aij h GLU 34 Cb 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1aij h GLU 34 CO -0.03 0.25 0.00 0.09 -1.18 0.00 0.00 179.01 178.14 1aij n ASN 35 N -4.16 1.06 -1.46 1.04 3.02 -0.02 -3.65 115.26 111.09 1aij n ASN 35 Ca -0.02 -1.74 0.10 0.00 -0.03 0.00 0.00 54.58 52.89 1aij n ASN 35 Cb 0.31 -0.09 0.34 0.00 -0.61 0.00 0.00 39.78 39.72 1aij n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1aij n MET 36 N -0.03 3.47 0.00 3.52 2.81 -0.12 -4.55 117.12 122.22 1aij n MET 36 Ca 0.12 -2.80 0.08 0.00 -1.81 0.00 0.00 57.70 53.30 1aij n MET 36 Cb 0.21 -1.79 0.49 0.00 -0.71 0.00 0.00 33.22 31.42 1aij n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1aij n ARG 37 N 1.13 0.82 -3.81 0.03 1.74 -1.24 -4.38 116.66 110.94 1aij n ARG 37 Ca 0.25 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.20 1aij n ARG 37 Cb 0.81 -1.32 -0.12 0.00 -1.02 0.00 0.00 32.46 30.82 1aij n ARG 37 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1aij s GLU 38 N -2.00 0.26 0.00 5.56 0.41 -1.26 -4.32 118.70 117.35 1aij s GLU 38 Ca 0.25 0.18 0.00 0.00 -0.41 0.00 0.00 54.97 54.99 1aij s GLU 38 Cb 0.11 0.12 0.00 0.00 -1.78 0.00 0.00 34.13 32.59 1aij s GLU 38 CO 0.19 -0.04 0.00 0.41 -0.49 0.00 0.00 175.26 175.33 1aij n GLY 39 N 2.77 1.04 3.47 -1.39 0.00 -1.26 -5.01 105.19 104.82 1aij n GLY 39 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 1aij n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aij s TYR 40 N -3.84 2.43 0.58 1.61 1.51 -1.26 -4.29 117.35 114.09 1aij s TYR 40 Ca 0.00 -0.31 -0.21 0.00 -1.01 0.00 0.00 57.07 55.55 1aij s TYR 40 Cb 0.00 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 1aij s TYR 40 CO 0.00 0.47 1.35 -2.14 -1.11 0.00 0.00 175.55 174.12 1aij s PRO 41 N -2.59 2.96 0.35 -1.71 0.02 -1.26 -4.85 135.00 127.93 1aij s PRO 41 Ca 0.21 2.20 -0.28 0.00 0.02 0.00 0.00 61.00 63.15 1aij s PRO 41 Cb -0.09 -2.14 -0.10 0.00 0.02 0.00 0.00 34.50 32.20 1aij s PRO 41 CO 0.11 -1.32 1.24 -0.51 -0.33 0.00 0.00 177.00 176.20 1aij s LEU 42 N -3.77 4.36 0.00 -5.54 1.43 -1.26 -4.98 118.68 108.92 1aij s LEU 42 Ca 0.75 2.54 0.08 0.00 -1.03 0.00 0.00 54.13 56.47 1aij s LEU 42 Cb -0.40 -3.77 0.08 0.00 0.03 0.00 0.00 46.19 42.13 1aij s LEU 42 CO 0.46 -0.55 0.64 -0.62 0.23 0.00 0.00 176.35 176.50 1aij n GLU 43 N 0.60 0.62 -3.74 1.70 1.02 -1.26 -1.87 120.64 117.72 1aij n GLU 43 Ca 0.01 -3.37 -0.21 0.00 -0.02 0.00 0.00 57.16 53.57 1aij n GLU 43 Cb 0.44 0.05 -0.04 0.00 -0.02 0.00 0.00 31.44 31.87 1aij n GLU 43 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1aij s ASN 44 N -4.53 5.19 0.00 1.62 0.01 -0.54 -4.41 114.94 112.28 1aij s ASN 44 Ca 0.48 -0.59 0.00 0.00 -0.71 0.00 0.00 52.86 52.04 1aij s ASN 44 Cb -0.04 -0.83 0.00 0.00 0.41 0.00 0.00 41.25 40.79 1aij s ASN 44 CO 0.31 -0.45 0.11 -0.62 -1.51 0.00 0.00 177.10 174.93 1aij n GLU 45 N -1.43 0.11 -2.78 -0.60 1.02 -1.26 -2.41 120.64 113.30 1aij n GLU 45 Ca -0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 1aij n GLU 45 Cb 0.60 -1.01 0.04 0.00 -0.02 0.00 0.00 31.44 31.06 1aij n GLU 45 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1aij n ASP 46 N -0.41 1.54 0.00 1.62 5.75 -1.26 -5.02 116.55 118.77 1aij n ASP 46 Ca 0.00 -2.25 0.00 0.00 -0.01 0.00 0.00 54.79 52.53 1aij n ASP 46 Cb 0.00 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 1aij n ASP 46 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aij n GLY 47 N -0.42 0.86 3.79 6.12 0.00 -1.01 -4.96 105.19 109.56 1aij n GLY 47 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1aij n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aij s THR 48 N -0.96 3.56 0.08 2.61 -4.23 -1.26 -4.80 115.64 110.65 1aij s THR 48 Ca 0.00 1.01 -0.37 0.00 -1.18 0.00 0.00 61.69 61.15 1aij s THR 48 Cb 0.00 -3.43 -0.17 0.00 1.34 0.00 0.00 72.50 70.24 1aij s THR 48 CO 0.00 -0.17 1.26 -2.65 -0.54 0.00 0.00 174.62 172.52 1aij n PRO 49 N -0.91 0.92 -2.51 3.99 -0.02 -1.26 -1.47 135.00 133.74 1aij n PRO 49 Ca 0.09 0.33 -0.32 0.00 -2.02 0.00 0.00 63.50 61.58 1aij n PRO 49 Cb 0.51 -1.92 -0.04 0.00 -0.02 0.00 0.00 33.50 32.03 1aij n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aij s ALA 50 N 0.30 3.09 -0.03 3.55 0.00 -0.78 -4.67 121.76 123.22 1aij s ALA 50 Ca 0.84 0.18 -0.23 0.00 0.00 0.00 0.00 51.96 52.75 1aij s ALA 50 Cb -1.00 -3.08 -0.17 0.00 0.00 0.00 0.00 23.12 18.87 1aij s ALA 50 CO 0.49 -0.15 1.06 0.00 0.00 0.00 0.00 175.76 177.16 1aij h ALA 51 N 1.13 -0.23 -1.90 0.00 0.00 -1.92 -3.40 119.26 112.93 1aij h ALA 51 Ca -0.47 -0.22 -0.59 0.00 0.00 0.00 0.00 54.91 53.63 1aij h ALA 51 Cb 1.18 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.97 1aij h ALA 51 CO 0.62 -0.37 0.65 0.54 0.00 0.00 0.00 179.25 180.69 1aij s ASN 52 N -5.40 6.55 -0.47 0.00 4.22 -1.26 -4.89 114.94 113.70 1aij s ASN 52 Ca -0.14 0.26 0.03 0.00 -2.14 0.00 0.00 52.86 50.88 1aij s ASN 52 Cb 0.01 -2.47 0.53 0.00 1.28 0.00 0.00 41.25 40.60 1aij s ASN 52 CO 0.54 -1.06 1.77 1.67 -2.04 0.00 0.00 177.10 177.97 1aij n GLN 53 N 7.23 2.47 -0.10 3.55 -0.06 -1.26 -4.94 117.38 124.27 1aij n GLN 53 Ca 0.07 -3.29 0.01 0.00 -2.00 0.00 0.00 57.00 51.80 1aij n GLN 53 Cb 0.48 -2.15 -0.00 0.00 -4.06 0.00 0.00 30.24 24.52 1aij n GLN 53 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1aij n GLY 54 N -1.02 -1.69 0.21 1.69 0.00 -1.26 -4.59 105.19 98.54 1aij n GLY 54 Ca 0.53 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 45.17 1aij n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1aij n PRO 55 N -2.00 0.59 -4.15 1.61 -0.02 -1.26 -4.97 135.00 124.79 1aij n PRO 55 Ca -0.00 -0.42 -0.35 0.00 -2.02 0.00 0.00 63.50 60.71 1aij n PRO 55 Cb 0.04 -1.49 -0.09 0.00 -0.02 0.00 0.00 33.50 31.94 1aij n PRO 55 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1aij s PHE 56 N -2.70 3.24 0.69 6.00 0.08 -1.26 -5.10 117.98 118.93 1aij s PHE 56 Ca 0.17 0.12 -0.15 0.00 0.12 0.00 0.00 56.93 57.20 1aij s PHE 56 Cb 0.18 -1.95 0.02 0.00 -0.57 0.00 0.00 43.02 40.69 1aij s PHE 56 CO 0.64 0.31 1.14 -2.14 -0.10 0.00 0.00 175.22 175.06 1aij s PRO 57 N -0.21 2.53 0.35 0.24 0.02 -1.26 -5.01 135.00 131.66 1aij s PRO 57 Ca 0.07 1.48 -0.27 0.00 0.02 0.00 0.00 61.00 62.29 1aij s PRO 57 Cb -0.12 -1.91 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 1aij s PRO 57 CO 0.02 -1.48 1.20 -0.51 -0.33 0.00 0.00 177.00 175.90 1aij s LEU 58 N -5.06 4.36 0.65 -5.54 1.43 -1.26 -4.77 118.68 108.49 1aij s LEU 58 Ca 0.69 2.45 -0.16 0.00 -1.03 0.00 0.00 54.13 56.07 1aij s LEU 58 Cb -0.23 -3.80 -0.00 0.00 0.03 0.00 0.00 46.19 42.19 1aij s LEU 58 CO 0.44 -0.50 1.16 -2.16 0.23 0.00 0.00 176.35 175.51 1aij s PRO 59 N -1.92 2.71 0.36 1.29 0.04 -1.26 -5.00 135.00 131.21 1aij s PRO 59 Ca 0.51 1.60 -0.27 0.00 0.04 0.00 0.00 61.00 62.88 1aij s PRO 59 Cb -0.34 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 1aij s PRO 59 CO 0.44 -1.36 1.22 0.15 0.04 0.00 0.00 177.00 177.49 1aij s LYS 60 N -3.80 4.24 0.22 4.56 1.02 -1.26 -4.52 119.74 120.20 1aij s LYS 60 Ca 0.72 1.99 -0.31 0.00 0.02 0.00 0.00 55.97 58.39 1aij s LYS 60 Cb -0.25 -2.90 -0.15 0.00 -0.52 0.00 0.00 37.83 34.01 1aij s LYS 60 CO 0.39 -0.21 1.07 -2.30 -0.92 0.00 0.00 175.35 173.38 1aij n PRO 61 N 0.50 1.19 -4.54 -1.68 -0.02 -1.26 -4.74 135.00 124.44 1aij n PRO 61 Ca 0.02 0.42 -0.30 0.00 -2.02 0.00 0.00 63.50 61.62 1aij n PRO 61 Cb 0.44 -1.84 -0.12 0.00 -0.02 0.00 0.00 33.50 31.96 1aij n PRO 61 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1aij s LYS 62 N -0.90 1.90 -0.12 -0.52 2.20 0.26 -4.95 119.74 117.61 1aij s LYS 62 Ca 0.67 -1.09 -0.00 0.00 -0.36 0.00 0.00 55.97 55.18 1aij s LYS 62 Cb -0.79 -2.12 0.03 0.00 -1.51 0.00 0.00 37.83 33.43 1aij s LYS 62 CO 0.56 0.51 -0.07 0.99 -0.36 0.00 0.00 175.35 176.98 1aij s THR 63 N -1.00 1.03 -0.22 3.43 2.01 -1.26 -1.05 115.64 118.57 1aij s THR 63 Ca 0.15 -0.35 -0.17 0.00 0.31 0.00 0.00 61.69 61.63 1aij s THR 63 Cb -0.10 -1.09 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 1aij s THR 63 CO 0.07 0.31 0.47 -0.36 -0.69 0.00 0.00 174.62 174.42 1aij s PHE 64 N 1.70 3.33 -0.32 4.92 0.08 0.18 -4.92 117.98 122.95 1aij s PHE 64 Ca 0.04 0.65 -0.27 0.00 0.12 0.00 0.00 56.93 57.48 1aij s PHE 64 Cb -0.13 -2.63 0.01 0.00 -0.57 0.00 0.00 43.02 39.70 1aij s PHE 64 CO -0.08 -0.14 0.96 0.42 -0.10 0.00 0.00 175.22 176.28 1aij s ILE 65 N 1.78 4.62 0.14 0.64 1.01 -1.26 -2.01 121.20 126.12 1aij s ILE 65 Ca 0.21 1.49 -0.28 0.00 0.00 0.00 0.00 60.65 62.07 1aij s ILE 65 Cb -0.15 -4.31 -0.07 0.00 0.01 0.00 0.00 42.46 37.94 1aij s ILE 65 CO 0.09 -0.39 0.88 -0.76 0.00 0.00 0.00 174.94 174.76 1aij s LEU 66 N 3.37 4.54 1.08 2.97 1.43 -0.02 -4.99 118.68 127.06 1aij s LEU 66 Ca 0.40 1.73 -0.12 0.00 -1.03 0.00 0.00 54.13 55.11 1aij s LEU 66 Cb -0.13 -3.47 0.23 0.00 0.03 0.00 0.00 46.19 42.86 1aij s LEU 66 CO 0.14 0.06 1.06 -2.16 0.23 0.00 0.00 176.35 175.68 1aij s PRO 67 N -0.51 -0.23 -1.87 1.29 0.04 -1.26 -3.87 135.00 128.59 1aij s PRO 67 Ca 0.42 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1aij s PRO 67 Cb -0.23 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1aij s PRO 67 CO 0.28 -3.27 0.00 0.72 0.04 0.00 0.00 177.00 174.77 1aij n HIS 68 N -4.60 -0.72 -1.06 0.56 8.25 -1.26 -2.70 115.22 113.68 1aij n HIS 68 Ca 0.05 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.49 1aij n HIS 68 Cb 0.55 -3.76 -0.01 0.00 1.12 0.00 0.00 29.99 27.89 1aij n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aij n GLY 69 N -0.81 0.50 0.74 -1.41 0.00 -1.25 -4.92 105.19 98.04 1aij n GLY 69 Ca -0.23 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1aij n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aij n ARG 70 N -1.85 1.32 0.00 1.61 1.74 -1.10 -4.99 116.66 113.39 1aij n ARG 70 Ca -0.02 -0.30 0.00 0.00 -0.77 0.00 0.00 57.85 56.76 1aij n ARG 70 Cb 0.21 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1aij n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aij n GLY 71 N 0.12 0.21 3.23 -0.13 0.00 -1.26 -4.86 105.19 102.51 1aij n GLY 71 Ca 0.03 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 1aij n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aij s THR 72 N 0.00 0.03 -0.10 2.61 -4.23 -1.26 -0.84 115.64 111.86 1aij s THR 72 Ca 0.00 -0.25 0.04 0.00 -1.18 0.00 0.00 61.69 60.30 1aij s THR 72 Cb 0.00 -0.55 0.00 0.00 1.34 0.00 0.00 72.50 73.29 1aij s THR 72 CO 0.00 -0.14 -0.23 -0.22 -0.54 0.00 0.00 174.62 173.49 1aij s LEU 73 N -0.60 2.06 -0.15 4.79 1.98 -0.85 -4.94 118.68 120.97 1aij s LEU 73 Ca -0.07 -0.54 -0.00 0.00 -2.89 0.00 0.00 54.13 50.63 1aij s LEU 73 Cb -0.04 -1.36 -0.01 0.00 0.66 0.00 0.00 46.19 45.44 1aij s LEU 73 CO 0.02 0.15 -0.13 -0.89 -1.89 0.00 0.00 176.35 173.62 1aij s THR 74 N 0.35 2.97 -0.00 3.68 2.01 -1.26 -0.65 115.64 122.75 1aij s THR 74 Ca -0.18 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.17 1aij s THR 74 Cb -0.18 -2.26 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 1aij s THR 74 CO 0.08 0.51 -0.09 0.68 -0.69 0.00 0.00 174.62 175.11 1aij s VAL 75 N 0.59 0.73 0.51 3.82 -7.23 -0.22 -3.87 120.40 114.73 1aij s VAL 75 Ca -0.08 -0.47 -0.23 0.00 -1.81 0.00 0.00 61.98 59.40 1aij s VAL 75 Cb -0.16 -0.63 -0.06 0.00 0.56 0.00 0.00 36.38 36.10 1aij s VAL 75 CO 0.03 0.15 1.31 -2.84 -0.31 0.00 0.00 175.10 173.45 1aij s PRO 76 N -0.36 3.39 0.20 4.82 0.02 -1.26 -0.57 135.00 141.24 1aij s PRO 76 Ca 0.03 2.13 -0.08 0.00 0.02 0.00 0.00 61.00 63.10 1aij s PRO 76 Cb -0.04 -2.36 -0.02 0.00 0.02 0.00 0.00 34.50 32.10 1aij s PRO 76 CO -0.00 -0.95 0.29 0.20 -0.33 0.00 0.00 177.00 176.21 1aij s GLY 77 N -1.00 0.77 0.22 0.52 0.00 -1.25 -4.81 107.32 101.77 1aij s GLY 77 Ca 0.68 -1.12 -0.32 0.00 0.00 0.00 0.00 44.72 43.95 1aij s GLY 77 CO 0.45 -0.95 1.53 -1.05 0.00 0.00 0.00 173.10 173.08 1aij n PRO 78 N -0.27 2.26 -1.96 2.90 -0.02 -1.26 -4.90 135.00 131.74 1aij n PRO 78 Ca -0.03 0.81 -0.42 0.00 -2.02 0.00 0.00 63.50 61.84 1aij n PRO 78 Cb 0.63 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 1aij n PRO 78 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1aij s GLU 79 N 0.15 3.19 0.00 -0.52 2.56 -1.26 -4.88 118.70 117.95 1aij s GLU 79 Ca 0.71 1.38 0.00 0.00 0.00 0.00 0.00 54.97 57.06 1aij s GLU 79 Cb -0.62 -4.25 0.00 0.00 2.00 0.00 0.00 34.13 31.27 1aij s GLU 79 CO 0.44 -2.03 0.91 -1.13 -0.56 0.00 0.00 175.26 172.89 1aij n SER 80 N 10.88 2.61 -4.15 -1.70 3.41 -1.26 -4.70 113.62 118.71 1aij n SER 80 Ca 0.24 -1.60 -0.43 0.00 -0.26 0.00 0.00 58.87 56.82 1aij n SER 80 Cb 0.48 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1aij n SER 80 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1aij n GLU 81 N 0.87 3.47 -1.80 4.33 2.13 -1.26 -4.76 120.64 123.62 1aij n GLU 81 Ca 0.00 -3.62 -0.34 0.00 0.66 0.00 0.00 57.16 53.86 1aij n GLU 81 Cb 0.37 -3.01 -0.03 0.00 0.27 0.00 0.00 31.44 29.04 1aij n GLU 81 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1aij n ASP 82 N 4.91 7.34 -4.02 4.31 5.68 -1.26 -4.91 116.55 128.60 1aij n ASP 82 Ca 0.39 -3.20 -0.22 0.00 -0.50 0.00 0.00 54.79 51.26 1aij n ASP 82 Cb 0.40 -1.29 -0.16 0.00 -1.14 0.00 0.00 41.12 38.92 1aij n ASP 82 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1aij s ARG 83 N -1.57 1.25 -0.13 0.11 3.52 -1.26 -5.09 118.95 115.78 1aij s ARG 83 Ca 0.56 -0.36 -0.29 0.00 -0.13 0.00 0.00 55.73 55.50 1aij s ARG 83 Cb 0.27 -1.12 -0.06 0.00 -1.56 0.00 0.00 34.95 32.49 1aij s ARG 83 CO -0.16 0.10 1.91 -2.14 -0.81 0.00 0.00 175.30 174.20 1aij s PRO 84 N 0.33 3.74 -0.41 5.12 0.02 -1.26 -4.95 135.00 137.58 1aij s PRO 84 Ca -0.07 2.11 -0.19 0.00 0.02 0.00 0.00 61.00 62.88 1aij s PRO 84 Cb -0.11 -4.17 0.02 0.00 0.02 0.00 0.00 34.50 30.25 1aij s PRO 84 CO 0.01 -1.39 0.55 0.42 -0.33 0.00 0.00 177.00 176.26 1aij s ILE 85 N 5.80 4.95 -1.46 2.83 -1.09 -1.26 -4.98 121.20 125.99 1aij s ILE 85 Ca 0.86 0.02 -0.14 0.00 -2.23 0.00 0.00 60.65 59.15 1aij s ILE 85 Cb -0.34 -4.10 0.04 0.00 -1.58 0.00 0.00 42.46 36.48 1aij s ILE 85 CO 0.35 -0.46 2.22 0.00 -1.23 0.00 0.00 174.94 175.81 1aij n ALA 86 N 5.95 5.51 -3.08 9.38 0.00 -1.26 -4.86 120.51 132.15 1aij n ALA 86 Ca -0.04 -3.88 -0.16 0.00 0.00 0.00 0.00 53.44 49.36 1aij n ALA 86 Cb 0.48 -3.54 -0.15 0.00 0.00 0.00 0.00 19.45 16.24 1aij n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1aij s LEU 87 N 2.22 1.75 0.04 0.00 1.02 -1.26 -0.89 118.68 121.55 1aij s LEU 87 Ca 0.47 -0.07 0.05 0.00 0.02 0.00 0.00 54.13 54.59 1aij s LEU 87 Cb 0.14 -0.25 -0.04 0.00 0.02 0.00 0.00 46.19 46.06 1aij s LEU 87 CO -0.09 0.01 -0.08 0.00 0.02 0.00 0.00 176.35 176.21 1aij s ALA 88 N 0.26 3.00 0.22 4.21 0.00 0.32 -4.88 121.76 124.90 1aij s ALA 88 Ca -0.03 -1.10 -0.30 0.00 0.00 0.00 0.00 51.96 50.54 1aij s ALA 88 Cb -0.06 -1.05 -0.09 0.00 0.00 0.00 0.00 23.12 21.93 1aij s ALA 88 CO -0.00 0.63 1.26 0.50 0.00 0.00 0.00 175.76 178.14 1aij s ARG 89 N -1.71 4.44 0.13 0.00 3.52 -1.26 -1.27 118.95 122.80 1aij s ARG 89 Ca 0.19 2.01 0.19 0.00 -0.13 0.00 0.00 55.73 57.98 1aij s ARG 89 Cb -0.11 -3.19 -0.06 0.00 -1.56 0.00 0.00 34.95 30.03 1aij s ARG 89 CO 0.10 -0.15 0.96 1.15 -0.81 0.00 0.00 175.30 176.55 1aij h THR 90 N 3.56 0.35 -3.53 4.11 2.02 -1.78 -3.46 112.91 114.18 1aij h THR 90 Ca -0.46 -1.67 -0.06 0.00 0.77 0.00 0.00 66.41 65.00 1aij h THR 90 Cb 1.22 1.89 -0.12 0.00 -1.74 0.00 0.00 68.15 69.40 1aij h THR 90 CO 0.74 0.20 -0.13 0.00 0.37 0.00 0.00 175.52 176.70 1aij s ALA 91 N -3.07 -0.61 -0.08 6.16 0.00 -1.26 -5.02 121.76 117.88 1aij s ALA 91 Ca -0.01 -0.41 0.20 0.00 0.00 0.00 0.00 51.96 51.74 1aij s ALA 91 Cb 0.09 0.79 0.47 0.00 0.00 0.00 0.00 23.12 24.47 1aij s ALA 91 CO 0.80 -0.70 1.63 0.28 0.00 0.00 0.00 175.76 177.77 1aij h VAL 92 N 2.38 0.59 -2.88 0.00 2.07 -2.00 -3.44 116.25 112.97 1aij h VAL 92 Ca -0.31 -1.56 -0.55 0.00 0.82 0.00 0.00 66.70 65.10 1aij h VAL 92 Cb 1.25 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 1aij h VAL 92 CO 0.44 0.30 0.88 -0.44 0.02 0.00 0.00 177.57 178.77 1aij s SER 93 N -6.30 6.86 0.49 0.57 0.01 -1.26 -4.99 113.70 109.07 1aij s SER 93 Ca 0.03 2.03 -0.24 0.00 1.31 0.00 0.00 55.95 59.08 1aij s SER 93 Cb 0.08 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.69 1aij s SER 93 CO 0.69 -0.75 1.37 -1.61 0.41 0.00 0.00 173.24 173.34 1aij s GLU 94 N 2.85 3.47 0.00 12.44 0.41 -1.26 -3.56 118.70 133.05 1aij s GLU 94 Ca 0.63 2.26 0.00 0.00 -0.41 0.00 0.00 54.97 57.45 1aij s GLU 94 Cb -0.29 -2.47 0.00 0.00 -1.78 0.00 0.00 34.13 29.59 1aij s GLU 94 CO 0.24 -0.94 0.00 0.41 -0.49 0.00 0.00 175.26 174.49 1aij n GLY 95 N 0.64 0.70 3.95 -1.39 0.00 -1.26 -5.10 105.19 102.73 1aij n GLY 95 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 1aij n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aij s PHE 96 N -2.00 3.40 0.82 1.61 0.40 -1.23 -5.10 117.98 115.88 1aij s PHE 96 Ca 0.00 -0.03 -0.15 0.00 -0.60 0.00 0.00 56.93 56.15 1aij s PHE 96 Cb 0.00 -1.55 -0.00 0.00 0.51 0.00 0.00 43.02 41.98 1aij s PHE 96 CO 0.00 0.45 0.51 -2.30 0.70 0.00 0.00 175.22 174.58 1aij n PRO 97 N -1.37 0.07 -4.01 0.24 -0.02 -1.26 -4.83 135.00 123.81 1aij n PRO 97 Ca -0.09 0.07 -0.31 0.00 -2.02 0.00 0.00 63.50 61.15 1aij n PRO 97 Cb 0.57 -1.87 -0.16 0.00 -0.02 0.00 0.00 33.50 32.03 1aij n PRO 97 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1aij s HIS 98 N -2.11 2.70 0.43 6.00 3.76 -1.26 -2.32 115.29 122.49 1aij s HIS 98 Ca 0.62 -1.87 -0.22 0.00 -0.15 0.00 0.00 55.06 53.44 1aij s HIS 98 Cb -0.29 -1.73 -0.10 0.00 1.11 0.00 0.00 32.58 31.57 1aij s HIS 98 CO 0.61 -0.80 0.97 0.00 -0.85 0.00 0.00 174.74 174.68 1aij s ALA 99 N 1.30 3.03 0.31 -1.40 0.00 -0.40 -4.71 121.76 119.90 1aij s ALA 99 Ca -0.05 0.47 -0.29 0.00 0.00 0.00 0.00 51.96 52.09 1aij s ALA 99 Cb -0.18 -3.18 -0.10 0.00 0.00 0.00 0.00 23.12 19.66 1aij s ALA 99 CO -0.07 0.04 1.33 -2.14 0.00 0.00 0.00 175.76 174.92 1aij s PRO 100 N -3.02 4.34 0.08 0.00 0.02 -1.26 -0.52 135.00 134.64 1aij s PRO 100 Ca 0.61 2.23 0.06 0.00 0.02 0.00 0.00 61.00 63.93 1aij s PRO 100 Cb -0.12 -3.08 -0.23 0.00 0.02 0.00 0.00 34.50 31.09 1aij s PRO 100 CO 0.16 -0.24 1.13 1.79 -0.33 0.00 0.00 177.00 179.51 1aij h THR 101 N 3.16 1.50 -0.91 0.99 1.35 -1.35 -3.45 112.91 114.20 1aij h THR 101 Ca -0.48 -3.22 0.00 0.00 -0.55 0.00 0.00 66.41 62.16 1aij h THR 101 Cb 1.22 2.77 0.00 0.00 -1.73 0.00 0.00 68.15 70.42 1aij h THR 101 CO 0.68 0.87 0.00 0.61 -0.25 0.00 0.00 175.52 177.43 1aij n GLY 102 N 1.43 4.60 3.63 5.82 0.00 -1.26 -5.07 105.19 114.34 1aij n GLY 102 Ca -0.05 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 1aij n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1aij s ASP 103 N 0.71 6.90 0.32 1.61 2.15 -1.26 -4.92 116.67 122.17 1aij s ASP 103 Ca 0.00 0.99 -0.00 0.00 0.43 0.00 0.00 52.55 53.97 1aij s ASP 103 Cb 0.00 -2.53 0.53 0.00 -0.30 0.00 0.00 42.92 40.62 1aij s ASP 103 CO 0.00 -0.86 1.98 -0.65 -0.17 0.00 0.00 175.17 175.47 1aij h PRO 104 N 8.12 0.98 0.04 4.34 0.11 -1.94 -2.25 132.00 141.40 1aij h PRO 104 Ca -0.21 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.87 1aij h PRO 104 Cb 1.06 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.91 1aij h PRO 104 CO 1.02 0.65 -0.28 0.52 -0.21 0.00 0.00 178.00 179.70 1aij h MET 105 N 1.01 -0.43 -0.33 1.05 2.86 -1.91 0.86 114.93 118.03 1aij h MET 105 Ca 0.28 0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.81 1aij h MET 105 Cb -0.09 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1aij h MET 105 CO -0.07 -0.29 -0.35 0.87 1.06 0.00 0.00 176.91 178.13 1aij h LYS 106 N -0.45 0.75 0.00 1.72 1.57 -1.87 -3.09 116.57 115.20 1aij h LYS 106 Ca 0.05 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1aij h LYS 106 Cb 0.51 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1aij h LYS 106 CO -0.21 0.99 0.00 -0.44 -0.57 0.00 0.00 179.45 179.22 1aij h ASP 107 N 0.62 0.00 -3.37 0.86 3.32 -1.23 -3.48 116.42 113.15 1aij h ASP 107 Ca 0.06 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.01 1aij h ASP 107 Cb 0.89 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.50 1aij h ASP 107 CO 0.08 0.00 -0.26 0.61 -1.72 0.00 0.00 179.24 177.94 1aij n GLY 108 N 0.97 0.18 3.28 2.75 0.00 0.25 -4.79 105.19 107.84 1aij n GLY 108 Ca 0.04 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 1aij n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1aij s VAL 109 N -3.12 1.47 0.00 1.61 -7.23 -0.95 -3.88 120.40 108.30 1aij s VAL 109 Ca 0.04 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 1aij s VAL 109 Cb -0.00 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.20 1aij s VAL 109 CO 0.24 -0.49 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 1aij n GLY 110 N 0.19 1.64 0.21 2.32 0.00 -1.26 -2.26 105.19 106.03 1aij n GLY 110 Ca -0.13 -0.66 0.12 0.00 0.00 0.00 0.00 46.02 45.35 1aij n GLY 110 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1aij h PRO 111 N 0.00 0.00 -0.58 1.61 0.11 -1.94 -0.36 132.00 130.84 1aij h PRO 111 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1aij h PRO 111 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1aij h PRO 111 CO 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.79 1aij n ALA 112 N -1.75 2.49 -1.76 -0.75 0.00 -0.96 -2.70 120.51 115.08 1aij n ALA 112 Ca -0.02 -1.02 -0.38 0.00 0.00 0.00 0.00 53.44 52.02 1aij n ALA 112 Cb 0.19 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 18.69 1aij n ALA 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1aij s SER 113 N -0.97 5.69 0.18 0.00 0.01 -0.15 -4.01 113.70 114.45 1aij s SER 113 Ca 0.38 2.63 0.04 0.00 1.31 0.00 0.00 55.95 60.30 1aij s SER 113 Cb 0.21 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.76 1aij s SER 113 CO 0.25 -1.27 -0.05 -1.66 0.41 0.00 0.00 173.24 170.92 1aij s TRP 114 N -1.36 1.35 0.01 2.43 1.48 -1.26 -4.38 118.94 117.20 1aij s TRP 114 Ca 0.67 -0.87 0.08 0.00 -1.06 0.00 0.00 56.10 54.92 1aij s TRP 114 Cb -0.37 -0.74 -0.02 0.00 -1.16 0.00 0.00 33.47 31.18 1aij s TRP 114 CO 0.45 -0.02 -0.25 0.08 -4.06 0.00 0.00 176.95 173.15 1aij s VAL 115 N -3.43 2.23 -0.97 -0.66 1.01 -1.26 -5.03 120.40 112.29 1aij s VAL 115 Ca 0.22 -1.19 -0.24 0.00 0.00 0.00 0.00 61.98 60.77 1aij s VAL 115 Cb 0.04 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 1aij s VAL 115 CO 0.04 0.48 1.75 0.00 0.00 0.00 0.00 175.10 177.37 1aij s ALA 116 N -0.72 2.11 0.56 5.51 0.00 -1.26 -4.85 121.76 123.12 1aij s ALA 116 Ca 0.11 -1.85 0.02 0.00 0.00 0.00 0.00 51.96 50.23 1aij s ALA 116 Cb -0.10 -4.55 0.04 0.00 0.00 0.00 0.00 23.12 18.51 1aij s ALA 116 CO 0.01 -4.33 0.79 1.03 0.00 0.00 0.00 175.76 173.26 1aij s ARG 117 N 6.13 2.45 0.20 0.00 0.52 -1.26 -5.04 118.95 121.95 1aij s ARG 117 Ca 0.60 -0.87 -0.33 0.00 -0.52 0.00 0.00 55.73 54.61 1aij s ARG 117 Cb -0.04 -2.49 -0.13 0.00 0.52 0.00 0.00 34.95 32.81 1aij s ARG 117 CO -0.04 -0.78 1.61 -2.13 0.02 0.00 0.00 175.30 173.98 1aij n ARG 118 N -2.37 2.40 -2.12 3.54 0.63 -1.26 -4.27 116.66 113.21 1aij n ARG 118 Ca 0.09 0.86 -0.41 0.00 -0.92 0.00 0.00 57.85 57.48 1aij n ARG 118 Cb 0.60 -2.65 -0.00 0.00 0.45 0.00 0.00 32.46 30.86 1aij n ARG 118 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1aij n ASP 119 N 3.33 7.53 -3.86 6.15 2.03 -1.26 -2.41 116.55 128.06 1aij n ASP 119 Ca 0.15 -3.19 -0.10 0.00 0.52 0.00 0.00 54.79 52.18 1aij n ASP 119 Cb 0.32 -1.36 -0.08 0.00 -0.72 0.00 0.00 41.12 39.27 1aij n ASP 119 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1aij s LEU 120 N -2.02 1.45 0.56 -2.67 1.43 -1.26 -4.96 118.68 111.21 1aij s LEU 120 Ca 0.50 -0.42 -0.16 0.00 -1.03 0.00 0.00 54.13 53.02 1aij s LEU 120 Cb 0.17 0.90 -0.05 0.00 0.03 0.00 0.00 46.19 47.24 1aij s LEU 120 CO -0.08 -0.57 1.02 -2.84 0.23 0.00 0.00 176.35 174.12 1aij s PRO 121 N -2.70 3.61 0.20 1.29 0.02 -1.26 -1.42 135.00 134.74 1aij s PRO 121 Ca -0.04 1.04 -0.30 0.00 0.02 0.00 0.00 61.00 61.72 1aij s PRO 121 Cb -0.00 -2.08 -0.09 0.00 0.02 0.00 0.00 34.50 32.35 1aij s PRO 121 CO -0.05 -0.56 1.27 -2.00 -0.33 0.00 0.00 177.00 175.33 1aij s GLU 122 N -4.20 4.43 0.04 5.54 2.12 -1.26 -4.85 118.70 120.52 1aij s GLU 122 Ca 0.60 1.99 0.01 0.00 0.36 0.00 0.00 54.97 57.94 1aij s GLU 122 Cb -0.13 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 1aij s GLU 122 CO 0.36 -0.18 0.08 -0.51 -0.54 0.00 0.00 175.26 174.48 1aij s LEU 123 N -0.26 3.86 0.89 2.70 1.02 -1.26 -0.88 118.68 124.75 1aij s LEU 123 Ca 0.55 0.07 -0.12 0.00 0.02 0.00 0.00 54.13 54.65 1aij s LEU 123 Cb -0.35 -2.40 0.17 0.00 0.02 0.00 0.00 46.19 43.63 1aij s LEU 123 CO 0.38 0.22 1.23 1.51 0.02 0.00 0.00 176.35 179.72 1aij s ASP 124 N -2.08 3.52 0.59 2.29 1.47 0.16 -4.76 116.67 117.85 1aij s ASP 124 Ca 0.26 0.16 0.35 0.00 1.18 0.00 0.00 52.55 54.50 1aij s ASP 124 Cb -0.12 -0.32 1.88 0.00 -0.34 0.00 0.00 42.92 44.02 1aij s ASP 124 CO 0.18 -2.46 2.05 1.23 0.68 0.00 0.00 175.17 176.86 1aij h GLY 125 N -1.33 0.00 -3.32 2.12 0.00 -2.00 -1.32 103.07 97.22 1aij h GLY 125 Ca -0.43 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.47 1aij h GLY 125 CO 0.41 0.00 0.34 1.42 0.00 0.00 0.00 176.54 178.71 1aij n HIS 126 N -2.82 2.40 -0.24 5.60 8.25 -1.26 -4.95 115.22 122.19 1aij n HIS 126 Ca -0.02 -1.98 0.00 0.00 -0.26 0.00 0.00 57.72 55.46 1aij n HIS 126 Cb 0.17 -0.83 0.00 0.00 1.12 0.00 0.00 29.99 30.45 1aij n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aij n GLY 127 N -1.08 0.50 3.91 -1.41 0.00 -0.50 -4.96 105.19 101.65 1aij n GLY 127 Ca 0.50 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.26 1aij n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1aij s HIS 128 N -1.53 3.34 0.35 1.61 3.76 -1.26 -4.75 115.29 116.80 1aij s HIS 128 Ca 0.00 0.69 -0.28 0.00 -0.15 0.00 0.00 55.06 55.32 1aij s HIS 128 Cb 0.00 -2.62 -0.10 0.00 1.11 0.00 0.00 32.58 30.97 1aij s HIS 128 CO 0.00 -0.68 1.33 -0.80 -0.85 0.00 0.00 174.74 173.75 1aij s ASN 129 N -4.25 6.61 0.05 1.40 0.01 -1.26 -0.67 114.94 116.83 1aij s ASN 129 Ca 0.52 2.74 -0.19 0.00 -0.71 0.00 0.00 52.86 55.22 1aij s ASN 129 Cb -0.10 -2.65 -0.14 0.00 0.41 0.00 0.00 41.25 38.77 1aij s ASN 129 CO 0.45 -0.65 1.34 0.50 -1.51 0.00 0.00 177.10 177.22 1aij h LYS 130 N 3.17 0.45 -5.45 -0.60 3.64 -1.31 -3.43 116.57 113.05 1aij h LYS 130 Ca -0.49 -0.26 -0.64 0.00 -1.27 0.00 0.00 60.65 57.99 1aij h LYS 130 Cb 1.23 0.02 -0.19 0.00 -0.41 0.00 0.00 32.23 32.88 1aij h LYS 130 CO 0.65 0.84 -0.64 0.42 -2.27 0.00 0.00 179.45 178.45 1aij s ILE 131 N -4.20 4.14 0.07 2.00 1.01 -1.26 -0.74 121.20 122.22 1aij s ILE 131 Ca -0.14 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.25 1aij s ILE 131 Cb 0.06 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 1aij s ILE 131 CO 0.78 0.51 -0.07 -0.54 0.00 0.00 0.00 174.94 175.62 1aij s LYS 132 N 0.09 0.65 0.23 2.79 1.02 -0.74 -4.73 119.74 119.06 1aij s LYS 132 Ca 0.01 -1.04 -0.31 0.00 0.02 0.00 0.00 55.97 54.65 1aij s LYS 132 Cb -0.13 -0.18 -0.14 0.00 -0.52 0.00 0.00 37.83 36.86 1aij s LYS 132 CO 0.02 0.00 1.38 -2.30 -0.92 0.00 0.00 175.35 173.53 1aij n PRO 133 N 0.71 1.94 -0.04 -1.68 -0.02 -1.26 -1.07 135.00 133.58 1aij n PRO 133 Ca -0.18 0.69 0.11 0.00 -2.02 0.00 0.00 63.50 62.10 1aij n PRO 133 Cb 0.58 -2.33 0.51 0.00 -0.02 0.00 0.00 33.50 32.24 1aij n PRO 133 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1aij h MET 134 N 4.13 0.36 -1.07 -0.52 4.05 -1.10 0.28 114.93 121.07 1aij h MET 134 Ca -0.45 -0.02 0.29 0.00 -0.28 0.00 0.00 59.70 59.23 1aij h MET 134 Cb 1.28 -0.08 -0.08 0.00 -0.80 0.00 0.00 31.60 31.92 1aij h MET 134 CO 0.75 0.24 0.71 -0.22 0.23 0.00 0.00 176.91 178.62 1aij h LYS 135 N 0.38 0.29 -0.37 0.39 3.64 -1.90 -0.24 116.57 118.75 1aij h LYS 135 Ca 0.23 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1aij h LYS 135 Cb 0.42 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1aij h LYS 135 CO -0.06 0.19 0.00 0.00 -2.27 0.00 0.00 179.45 177.31 1aij n ALA 136 N -2.54 2.25 -3.47 5.00 0.00 0.04 -4.86 120.51 116.93 1aij n ALA 136 Ca 0.25 -1.10 -0.43 0.00 0.00 0.00 0.00 53.44 52.17 1aij n ALA 136 Cb 0.96 -0.52 -0.07 0.00 0.00 0.00 0.00 19.45 19.82 1aij n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aij s ALA 137 N -1.02 3.49 -0.33 0.00 0.00 -0.10 -4.94 121.76 118.87 1aij s ALA 137 Ca 0.27 -2.56 -0.34 0.00 0.00 0.00 0.00 51.96 49.32 1aij s ALA 137 Cb 0.14 -2.98 -0.11 0.00 0.00 0.00 0.00 23.12 20.18 1aij s ALA 137 CO 0.19 -1.95 2.19 0.00 0.00 0.00 0.00 175.76 176.19 1aij n ALA 138 N 4.98 1.17 -0.11 0.00 0.00 -1.26 -1.94 120.51 123.35 1aij n ALA 138 Ca -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1aij n ALA 138 Cb 0.41 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.26 1aij n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aij n GLY 139 N 6.45 1.01 3.78 0.00 0.00 -1.26 -5.03 105.19 110.13 1aij n GLY 139 Ca 0.40 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.04 1aij n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aij s PHE 140 N -2.49 3.54 0.17 1.61 0.40 -0.82 -5.03 117.98 115.36 1aij s PHE 140 Ca 0.00 1.73 -0.23 0.00 -0.60 0.00 0.00 56.93 57.83 1aij s PHE 140 Cb 0.00 -3.05 0.06 0.00 0.51 0.00 0.00 43.02 40.54 1aij s PHE 140 CO 0.00 -0.18 0.61 -3.38 0.70 0.00 0.00 175.22 172.97 1aij s HIS 141 N -1.54 -0.50 -0.14 0.36 -3.43 -1.26 -4.96 115.29 103.82 1aij s HIS 141 Ca 0.51 0.25 -0.29 0.00 -0.80 0.00 0.00 55.06 54.73 1aij s HIS 141 Cb -0.22 0.58 -0.02 0.00 -1.43 0.00 0.00 32.58 31.49 1aij s HIS 141 CO 0.28 -0.90 1.20 0.08 -2.00 0.00 0.00 174.74 173.40 1aij s VAL 142 N -3.77 4.36 -0.13 -5.38 1.01 -1.26 -4.91 120.40 110.32 1aij s VAL 142 Ca 0.02 1.65 0.18 0.00 0.00 0.00 0.00 61.98 63.84 1aij s VAL 142 Cb -0.02 -4.06 -0.19 0.00 0.00 0.00 0.00 36.38 32.11 1aij s VAL 142 CO -0.11 -0.09 0.62 -1.54 0.00 0.00 0.00 175.10 173.98 1aij n SER 143 N 6.06 0.53 -3.52 3.32 3.41 -1.26 -5.03 113.62 117.13 1aij n SER 143 Ca 0.12 0.23 -0.12 0.00 -0.26 0.00 0.00 58.87 58.84 1aij n SER 143 Cb 0.46 0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 65.04 1aij n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aij s ALA 144 N -2.96 -1.81 0.00 7.33 0.00 -1.26 -5.15 121.76 117.91 1aij s ALA 144 Ca -0.05 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.11 1aij s ALA 144 Cb 0.09 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1aij s ALA 144 CO 0.83 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.51 1aij n GLY 145 N 0.37 0.14 3.70 0.00 0.00 -1.26 -4.88 105.19 103.26 1aij n GLY 145 Ca -0.13 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 1aij n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aij s LYS 146 N -1.34 4.44 -0.19 1.61 2.47 -1.26 -4.98 119.74 120.48 1aij s LYS 146 Ca 0.00 1.59 -0.29 0.00 -1.56 0.00 0.00 55.97 55.71 1aij s LYS 146 Cb 0.00 -3.47 -0.01 0.00 -1.46 0.00 0.00 37.83 32.89 1aij s LYS 146 CO 0.00 -0.27 1.32 1.21 0.16 0.00 0.00 175.35 177.77 1aij s ASN 147 N 1.18 6.83 0.19 1.43 3.04 -1.26 -4.92 114.94 121.43 1aij s ASN 147 Ca 0.55 1.62 0.26 0.00 0.04 0.00 0.00 52.86 55.32 1aij s ASN 147 Cb -0.24 -2.54 0.86 0.00 -1.54 0.00 0.00 41.25 37.79 1aij s ASN 147 CO 0.25 -0.87 1.79 -0.81 -3.04 0.00 0.00 177.10 174.42 1aij n PRO 148 N 6.86 0.23 -1.97 0.43 -0.04 -1.26 -4.85 135.00 134.40 1aij n PRO 148 Ca 0.15 0.20 -0.42 0.00 -0.04 0.00 0.00 63.50 63.39 1aij n PRO 148 Cb 0.45 -1.78 -0.03 0.00 -0.04 0.00 0.00 33.50 32.11 1aij n PRO 148 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1aij s ILE 149 N -3.10 3.04 0.00 0.52 1.01 -1.26 -1.30 121.20 120.11 1aij s ILE 149 Ca 0.11 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.32 1aij s ILE 149 Cb 0.13 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 39.23 1aij s ILE 149 CO 0.58 0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.14 1aij n GLY 150 N 3.88 0.30 3.79 6.18 0.00 0.37 -5.00 105.19 114.71 1aij n GLY 150 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1aij n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aij s LEU 151 N 0.00 4.30 0.43 0.99 1.43 -0.42 -4.73 118.68 120.69 1aij s LEU 151 Ca 0.00 1.78 -0.25 0.00 -1.03 0.00 0.00 54.13 54.62 1aij s LEU 151 Cb 0.00 -4.02 -0.08 0.00 0.03 0.00 0.00 46.19 42.12 1aij s LEU 151 CO 0.00 -0.08 1.32 -2.16 0.23 0.00 0.00 176.35 175.66 1aij s PRO 152 N -2.15 3.83 -0.20 1.29 0.04 -1.26 -0.87 135.00 135.68 1aij s PRO 152 Ca 0.51 2.19 -0.06 0.00 0.04 0.00 0.00 61.00 63.68 1aij s PRO 152 Cb -0.17 -2.67 -0.03 0.00 0.04 0.00 0.00 34.50 31.67 1aij s PRO 152 CO 0.22 -0.62 0.01 0.08 0.04 0.00 0.00 177.00 176.74 1aij s VAL 153 N -1.27 4.12 -0.09 -0.36 1.01 0.26 -0.83 120.40 123.23 1aij s VAL 153 Ca 0.59 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.33 1aij s VAL 153 Cb -0.39 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 1aij s VAL 153 CO 0.49 0.43 -0.14 -0.60 0.00 0.00 0.00 175.10 175.28 1aij s ARG 154 N 0.92 2.96 0.66 2.72 3.52 -0.12 -0.54 118.95 129.08 1aij s ARG 154 Ca 0.02 -0.70 -0.02 0.00 -0.13 0.00 0.00 55.73 54.90 1aij s ARG 154 Cb -0.14 -2.50 0.08 0.00 -1.56 0.00 0.00 34.95 30.83 1aij s ARG 154 CO 0.02 0.40 0.93 0.20 -0.81 0.00 0.00 175.30 176.04 1aij s GLY 155 N -0.15 1.77 0.58 8.12 0.00 -0.44 -0.69 107.32 116.51 1aij s GLY 155 Ca -0.01 -1.34 0.38 0.00 0.00 0.00 0.00 44.72 43.75 1aij s GLY 155 CO 0.03 -0.92 2.17 0.00 0.00 0.00 0.00 173.10 174.39 1aij n ASP 157 N -2.93 0.00 -2.55 0.00 5.75 -1.20 -1.59 116.55 114.02 1aij n ASP 157 Ca -0.02 -1.30 -0.20 0.00 -0.01 0.00 0.00 54.79 53.26 1aij n ASP 157 Cb 0.12 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.22 1aij n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1aij n LEU 158 N -0.78 -2.30 -4.31 -2.12 4.77 0.19 -4.87 117.00 107.58 1aij n LEU 158 Ca 0.12 -0.16 -0.27 0.00 -0.03 0.00 0.00 56.01 55.67 1aij n LEU 158 Cb 0.06 -2.80 -0.14 0.00 -2.33 0.00 0.00 43.42 38.21 1aij n LEU 158 CO 0.09 0.03 -0.54 -1.61 -1.33 0.00 0.00 177.39 174.03 1aij s GLU 159 N -5.33 1.44 0.20 3.23 0.41 -1.25 -4.92 118.70 112.47 1aij s GLU 159 Ca 0.16 -1.12 -0.30 0.00 -0.41 0.00 0.00 54.97 53.30 1aij s GLU 159 Cb -0.07 -1.69 -0.08 0.00 -1.78 0.00 0.00 34.13 30.51 1aij s GLU 159 CO 0.20 0.42 1.24 0.42 -0.49 0.00 0.00 175.26 177.04 1aij s ILE 160 N -0.94 3.40 -0.08 -1.63 1.09 -1.26 -1.33 121.20 120.45 1aij s ILE 160 Ca 0.10 1.19 0.08 0.00 -1.10 0.00 0.00 60.65 60.91 1aij s ILE 160 Cb -0.10 -3.76 -0.11 0.00 -1.06 0.00 0.00 42.46 37.43 1aij s ILE 160 CO 0.03 0.20 0.20 0.00 -0.10 0.00 0.00 174.94 175.27 1aij n ALA 161 N 2.38 2.42 0.00 9.38 0.00 0.30 -4.88 120.51 130.10 1aij n ALA 161 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1aij n ALA 161 Cb 0.44 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1aij n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aij n GLY 162 N 1.89 -0.57 2.98 0.00 0.00 -1.20 -4.24 105.19 104.05 1aij n GLY 162 Ca -0.01 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 1aij n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aij s LYS 163 N -1.06 0.21 -0.03 1.61 -2.85 -0.81 -0.57 119.74 116.24 1aij s LYS 163 Ca 0.00 -0.18 -0.30 0.00 -1.00 0.00 0.00 55.97 54.49 1aij s LYS 163 Cb 0.00 0.09 -0.04 0.00 -2.06 0.00 0.00 37.83 35.82 1aij s LYS 163 CO 0.00 -0.04 1.19 0.08 0.10 0.00 0.00 175.35 176.68 1aij s VAL 164 N -0.61 4.23 -0.46 1.79 1.01 -0.04 -0.89 120.40 125.43 1aij s VAL 164 Ca -0.07 1.57 0.12 0.00 0.00 0.00 0.00 61.98 63.60 1aij s VAL 164 Cb -0.04 -4.01 -0.14 0.00 0.00 0.00 0.00 36.38 32.19 1aij s VAL 164 CO 0.00 0.03 0.46 1.33 0.00 0.00 0.00 175.10 176.92 1aij n VAL 165 N 4.43 0.00 -3.65 2.92 0.24 0.56 -0.48 118.33 122.36 1aij n VAL 165 Ca 0.10 -0.23 -0.04 0.00 -2.04 0.00 0.00 64.34 62.13 1aij n VAL 165 Cb 0.46 0.86 -0.01 0.00 -1.47 0.00 0.00 33.84 33.68 1aij n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1aij s ASP 166 N -2.36 -0.20 -0.11 -1.34 2.15 -1.20 -4.88 116.67 108.74 1aij s ASP 166 Ca 0.03 -0.21 0.01 0.00 0.43 0.00 0.00 52.55 52.81 1aij s ASP 166 Cb 0.09 0.37 -0.01 0.00 -0.30 0.00 0.00 42.92 43.06 1aij s ASP 166 CO 0.49 -0.66 -0.16 -0.63 -0.17 0.00 0.00 175.17 174.04 1aij s ILE 167 N -3.01 2.79 -0.24 4.11 1.01 -1.26 -0.86 121.20 123.75 1aij s ILE 167 Ca 0.10 -0.76 -0.14 0.00 0.00 0.00 0.00 60.65 59.85 1aij s ILE 167 Cb -0.00 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1aij s ILE 167 CO -0.02 0.54 0.31 0.26 0.00 0.00 0.00 174.94 176.03 1aij s TRP 168 N 0.19 3.31 0.01 3.97 0.52 0.13 -0.42 118.94 126.64 1aij s TRP 168 Ca -0.10 0.40 0.03 0.00 0.02 0.00 0.00 56.10 56.46 1aij s TRP 168 Cb -0.16 -2.46 -0.03 0.00 -1.15 0.00 0.00 33.47 29.67 1aij s TRP 168 CO 0.06 -0.07 -0.04 0.14 0.02 0.00 0.00 176.95 177.05 1aij s VAL 169 N 1.52 3.81 -0.50 4.03 -7.23 -0.23 -0.64 120.40 121.16 1aij s VAL 169 Ca 0.14 -0.74 -0.26 0.00 -1.81 0.00 0.00 61.98 59.31 1aij s VAL 169 Cb -0.15 -2.68 0.03 0.00 0.56 0.00 0.00 36.38 34.14 1aij s VAL 169 CO 0.08 0.37 1.01 -0.62 -0.31 0.00 0.00 175.10 175.63 1aij s ASP 170 N -1.51 6.49 0.03 4.85 -1.08 0.00 -1.79 116.67 123.66 1aij s ASP 170 Ca 0.18 0.09 -0.22 0.00 -0.52 0.00 0.00 52.55 52.08 1aij s ASP 170 Cb -0.11 -2.48 -0.15 0.00 -1.46 0.00 0.00 42.92 38.71 1aij s ASP 170 CO 0.09 -1.19 1.39 0.40 0.52 0.00 0.00 175.17 176.38 1aij h ILE 171 N 6.11 1.31 -0.08 4.11 2.04 -1.24 0.87 117.51 130.63 1aij h ILE 171 Ca -0.24 -1.05 0.02 0.00 1.00 0.00 0.00 64.86 64.59 1aij h ILE 171 Cb 1.07 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 38.93 1aij h ILE 171 CO 1.08 0.30 0.10 -0.65 0.00 0.00 0.00 178.15 178.98 1aij h PRO 172 N -0.13 0.00 0.00 2.37 0.11 -1.93 -2.73 132.00 129.69 1aij h PRO 172 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1aij h PRO 172 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1aij h PRO 172 CO 0.01 0.00 -0.77 0.39 -0.21 0.00 0.00 178.00 177.42 1aij n GLU 173 N -3.76 1.87 -3.76 1.05 -0.58 -1.20 -5.03 120.64 109.23 1aij n GLU 173 Ca -0.01 -0.01 -0.35 0.00 -0.42 0.00 0.00 57.16 56.38 1aij n GLU 173 Cb 0.20 -1.23 0.04 0.00 -0.57 0.00 0.00 31.44 29.87 1aij n GLU 173 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1aij n GLN 174 N -1.39 -1.05 -3.90 3.49 6.02 0.28 -5.00 117.38 115.82 1aij n GLN 174 Ca 0.03 0.38 -0.11 0.00 -0.01 0.00 0.00 57.00 57.29 1aij n GLN 174 Cb 0.25 -3.81 -0.11 0.00 1.02 0.00 0.00 30.24 27.59 1aij n GLN 174 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1aij s MET 175 N -6.28 0.39 -0.11 -1.09 0.23 -1.10 -4.99 119.30 106.36 1aij s MET 175 Ca 0.48 -0.41 -0.30 0.00 -1.03 0.00 0.00 55.69 54.43 1aij s MET 175 Cb -0.19 0.16 -0.02 0.00 -1.53 0.00 0.00 34.83 33.25 1aij s MET 175 CO 0.88 -0.08 1.15 0.00 -2.03 0.00 0.00 175.02 174.95 1aij s ALA 176 N -1.26 3.53 -0.16 3.16 0.00 -1.26 -0.82 121.76 124.95 1aij s ALA 176 Ca -0.14 0.49 0.10 0.00 0.00 0.00 0.00 51.96 52.41 1aij s ALA 176 Cb -0.08 -3.52 -0.17 0.00 0.00 0.00 0.00 23.12 19.35 1aij s ALA 176 CO 0.01 -0.84 -0.01 0.54 0.00 0.00 0.00 175.76 175.45 1aij n ARG 177 N 5.56 1.22 -3.91 0.00 1.74 0.19 -4.73 116.66 116.73 1aij n ARG 177 Ca 0.11 0.03 -0.10 0.00 -0.77 0.00 0.00 57.85 57.12 1aij n ARG 177 Cb 0.46 -1.39 -0.10 0.00 -1.02 0.00 0.00 32.46 30.42 1aij n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1aij s PHE 178 N -2.37 0.15 -0.11 -1.55 0.08 -0.96 -0.88 117.98 112.33 1aij s PHE 178 Ca -0.13 -0.38 -0.05 0.00 0.12 0.00 0.00 56.93 56.49 1aij s PHE 178 Cb 0.05 -0.11 -0.04 0.00 -0.57 0.00 0.00 43.02 42.35 1aij s PHE 178 CO 0.57 -0.33 0.09 -0.51 -0.10 0.00 0.00 175.22 174.94 1aij s LEU 179 N -1.83 4.06 -0.28 -0.37 1.43 0.13 -0.69 118.68 121.13 1aij s LEU 179 Ca -0.09 0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 53.22 1aij s LEU 179 Cb -0.04 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1aij s LEU 179 CO -0.02 0.39 0.24 -0.70 0.23 0.00 0.00 176.35 176.48 1aij s GLU 180 N -0.90 3.94 -0.12 1.70 2.12 -0.04 -0.85 118.70 124.55 1aij s GLU 180 Ca 0.14 -0.24 -0.00 0.00 0.36 0.00 0.00 54.97 55.22 1aij s GLU 180 Cb -0.12 -3.67 -0.02 0.00 0.26 0.00 0.00 34.13 30.59 1aij s GLU 180 CO 0.03 -0.22 -0.11 0.08 -0.54 0.00 0.00 175.26 174.50 1aij s VAL 181 N 1.84 3.21 -0.22 3.70 1.01 0.07 -0.32 120.40 129.69 1aij s VAL 181 Ca 0.09 -0.61 -0.14 0.00 0.00 0.00 0.00 61.98 61.32 1aij s VAL 181 Cb -0.16 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1aij s VAL 181 CO 0.11 0.53 0.32 -0.70 0.00 0.00 0.00 175.10 175.35 1aij s GLU 182 N 0.21 4.12 0.76 2.72 2.12 -0.06 -0.44 118.70 128.12 1aij s GLU 182 Ca -0.07 0.03 -0.11 0.00 0.36 0.00 0.00 54.97 55.18 1aij s GLU 182 Cb -0.15 -3.56 0.06 0.00 0.26 0.00 0.00 34.13 30.74 1aij s GLU 182 CO 0.05 -0.04 1.12 -0.51 -0.54 0.00 0.00 175.26 175.34 1aij s LEU 183 N 1.34 2.69 0.55 2.70 1.43 0.11 -1.92 118.68 125.58 1aij s LEU 183 Ca 0.15 0.84 0.37 0.00 -1.03 0.00 0.00 54.13 54.46 1aij s LEU 183 Cb -0.14 -3.45 1.94 0.00 0.03 0.00 0.00 46.19 44.57 1aij s LEU 183 CO 0.07 -1.67 2.13 0.50 0.23 0.00 0.00 176.35 177.61 1aij h LYS 184 N -0.84 0.00 -0.46 1.70 1.63 -1.89 -0.78 116.57 115.94 1aij h LYS 184 Ca -0.45 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 1aij h LYS 184 Cb 1.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 1aij h LYS 184 CO 0.64 0.00 0.00 -0.40 -3.45 0.00 0.00 179.45 176.24 1aij n ASP 185 N -2.84 2.34 0.00 4.20 5.75 -1.26 -4.93 116.55 119.82 1aij n ASP 185 Ca -0.02 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 1aij n ASP 185 Cb 0.09 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 1aij n ASP 185 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aij n GLY 186 N 1.00 2.48 3.91 6.12 0.00 -0.30 -5.03 105.19 113.37 1aij n GLY 186 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1aij n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aij s SER 187 N -2.30 4.17 0.10 1.61 1.04 -1.26 -4.78 113.70 112.28 1aij s SER 187 Ca 0.00 0.59 0.08 0.00 0.48 0.00 0.00 55.95 57.09 1aij s SER 187 Cb 0.00 -0.98 -0.03 0.00 0.10 0.00 0.00 66.02 65.11 1aij s SER 187 CO 0.00 -2.09 -0.19 0.42 0.98 0.00 0.00 173.24 172.36 1aij s THR 188 N -3.61 1.60 0.12 2.02 -4.23 -1.26 -0.71 115.64 109.56 1aij s THR 188 Ca 0.65 -1.51 0.07 0.00 -1.18 0.00 0.00 61.69 59.72 1aij s THR 188 Cb -0.09 -1.47 -0.04 0.00 1.34 0.00 0.00 72.50 72.24 1aij s THR 188 CO 0.49 -0.10 -0.16 -0.13 -0.54 0.00 0.00 174.62 174.18 1aij s ARG 189 N -1.91 1.06 -0.15 3.99 1.81 0.41 -4.86 118.95 119.29 1aij s ARG 189 Ca 0.05 -1.23 -0.08 0.00 -1.72 0.00 0.00 55.73 52.75 1aij s ARG 189 Cb -0.10 -1.04 -0.04 0.00 -0.45 0.00 0.00 34.95 33.32 1aij s ARG 189 CO 0.04 0.21 0.13 -0.51 -0.68 0.00 0.00 175.30 174.50 1aij s LEU 190 N -2.33 4.31 -0.12 2.53 1.43 -1.26 -0.75 118.68 122.49 1aij s LEU 190 Ca 0.08 0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 1aij s LEU 190 Cb -0.06 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.08 1aij s LEU 190 CO 0.04 0.31 -0.22 -0.76 0.23 0.00 0.00 176.35 175.95 1aij s LEU 191 N -0.45 2.19 0.21 1.79 2.01 -0.03 -4.94 118.68 119.46 1aij s LEU 191 Ca 0.12 -0.54 -0.32 0.00 0.01 0.00 0.00 54.13 53.41 1aij s LEU 191 Cb -0.12 -1.45 -0.12 0.00 0.01 0.00 0.00 46.19 44.52 1aij s LEU 191 CO 0.01 0.14 1.68 -2.84 1.01 0.00 0.00 176.35 176.35 1aij s PRO 192 N 0.47 4.14 0.22 1.29 0.02 -1.26 -0.69 135.00 139.20 1aij s PRO 192 Ca -0.15 2.56 -0.08 0.00 0.02 0.00 0.00 61.00 63.36 1aij s PRO 192 Cb -0.17 -3.08 0.26 0.00 0.02 0.00 0.00 34.50 31.53 1aij s PRO 192 CO 0.06 -0.71 1.85 0.52 -0.33 0.00 0.00 177.00 178.39 1aij h MET 193 N 6.52 0.91 -0.61 5.54 2.86 -1.30 -0.98 114.93 127.88 1aij h MET 193 Ca -0.43 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 1aij h MET 193 Cb 1.20 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1aij h MET 193 CO 0.93 0.60 0.00 0.00 1.06 0.00 0.00 176.91 179.50 1aij n GLN 194 N -4.63 0.71 0.00 1.72 0.00 -1.26 -2.32 117.38 111.61 1aij n GLN 194 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.10 1aij n GLN 194 Cb 0.12 -1.30 0.00 0.00 0.00 0.00 0.00 30.24 29.06 1aij n GLN 194 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1aij n MET 195 N 0.05 0.42 -4.51 2.61 1.56 -0.38 -5.09 117.12 111.79 1aij n MET 195 Ca 0.00 -0.55 -0.24 0.00 -0.27 0.00 0.00 57.70 56.64 1aij n MET 195 Cb 0.15 -0.63 -0.10 0.00 2.15 0.00 0.00 33.22 34.79 1aij n MET 195 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 1aij s VAL 196 N -0.17 2.08 -0.35 1.12 -7.23 -0.98 -4.55 120.40 110.31 1aij s VAL 196 Ca 0.00 -2.19 0.03 0.00 -1.81 0.00 0.00 61.98 58.00 1aij s VAL 196 Cb 0.00 -2.57 0.11 0.00 0.56 0.00 0.00 36.38 34.48 1aij s VAL 196 CO 0.00 -0.24 0.10 -0.75 -0.31 0.00 0.00 175.10 173.89 1aij s LYS 197 N -3.64 1.30 -0.01 4.82 2.47 0.61 -4.95 119.74 120.34 1aij s LYS 197 Ca 0.31 -1.73 -0.30 0.00 -1.56 0.00 0.00 55.97 52.69 1aij s LYS 197 Cb 0.02 -2.82 -0.05 0.00 -1.46 0.00 0.00 37.83 33.53 1aij s LYS 197 CO 0.15 -0.98 1.39 0.08 0.16 0.00 0.00 175.35 176.14 1aij s VAL 198 N 0.96 3.78 0.50 4.02 1.01 -1.26 -0.90 120.40 128.49 1aij s VAL 198 Ca 0.12 1.14 0.02 0.00 0.00 0.00 0.00 61.98 63.25 1aij s VAL 198 Cb -0.20 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1aij s VAL 198 CO -0.12 -0.01 0.00 -1.10 0.00 0.00 0.00 175.10 173.88 1aij s GLN 199 N 2.50 2.16 0.50 2.72 -0.21 0.68 -4.98 119.66 123.04 1aij s GLN 199 Ca 0.63 -2.36 0.28 0.00 0.02 0.00 0.00 55.36 53.93 1aij s GLN 199 Cb -0.30 -1.54 1.28 0.00 1.00 0.00 0.00 33.01 33.45 1aij s GLN 199 CO 0.26 -0.32 1.98 0.66 -2.12 0.00 0.00 175.29 175.74 1aij h SER 200 N 1.41 0.00 0.00 5.90 4.64 -2.01 -3.28 113.55 120.20 1aij h SER 200 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1aij h SER 200 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1aij h SER 200 CO 0.75 0.14 0.00 -0.46 -0.87 0.00 0.00 176.83 176.39 1aij n ASN 201 N -3.44 0.62 -3.75 4.97 6.94 -1.26 -5.10 115.26 114.24 1aij n ASN 201 Ca -0.01 -0.99 -0.03 0.00 -0.02 0.00 0.00 54.58 53.52 1aij n ASN 201 Cb 0.31 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.73 1aij n ASN 201 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1aij s ARG 202 N -0.00 1.22 -0.19 -3.83 1.70 -1.24 -4.48 118.95 112.14 1aij s ARG 202 Ca 0.00 -0.68 -0.00 0.00 -0.47 0.00 0.00 55.73 54.58 1aij s ARG 202 Cb 0.00 0.41 0.01 0.00 -0.57 0.00 0.00 34.95 34.80 1aij s ARG 202 CO 0.00 -0.56 -0.16 0.08 -1.08 0.00 0.00 175.30 173.59 1aij s VAL 203 N -3.27 2.46 -0.18 4.99 1.01 -0.01 -0.23 120.40 125.17 1aij s VAL 203 Ca 0.13 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 1aij s VAL 203 Cb -0.02 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 1aij s VAL 203 CO 0.03 0.51 0.13 -2.28 0.00 0.00 0.00 175.10 173.48 1aij s HIS 204 N 1.26 3.45 -0.38 5.22 2.46 -0.08 -0.94 115.29 126.27 1aij s HIS 204 Ca 0.03 0.37 -0.01 0.00 0.47 0.00 0.00 55.06 55.92 1aij s HIS 204 Cb -0.14 -2.12 0.10 0.00 -0.13 0.00 0.00 32.58 30.30 1aij s HIS 204 CO -0.08 0.38 0.15 0.08 -2.47 0.00 0.00 174.74 172.79 1aij s VAL 205 N 0.09 2.98 0.29 0.89 1.01 0.13 -0.28 120.40 125.51 1aij s VAL 205 Ca 0.09 -2.12 0.05 0.00 0.00 0.00 0.00 61.98 60.00 1aij s VAL 205 Cb -0.11 -3.07 0.06 0.00 0.00 0.00 0.00 36.38 33.25 1aij s VAL 205 CO -0.01 -0.64 1.72 -1.13 0.00 0.00 0.00 175.10 175.04 1aij h ASN 206 N 7.92 0.36 0.63 3.32 -0.73 -1.84 -2.80 115.58 122.43 1aij h ASN 206 Ca -0.11 -0.13 -0.03 0.00 1.87 0.00 0.00 56.30 57.90 1aij h ASN 206 Cb 1.04 -0.10 -0.00 0.00 0.27 0.00 0.00 38.32 39.53 1aij h ASN 206 CO 0.64 0.67 -0.14 0.00 -0.37 0.00 0.00 177.43 178.23 1aij h ALA 207 N 1.35 1.13 -4.03 1.57 0.00 -1.88 -3.38 119.26 114.03 1aij h ALA 207 Ca 0.04 -0.12 -0.47 0.00 0.00 0.00 0.00 54.91 54.36 1aij h ALA 207 Cb 0.73 -0.02 -0.27 0.00 0.00 0.00 0.00 17.79 18.23 1aij h ALA 207 CO 0.06 0.17 -0.80 -0.51 0.00 0.00 0.00 179.25 178.16 1aij s LEU 208 N -6.88 2.08 0.41 0.00 1.02 -1.21 -3.83 118.68 110.28 1aij s LEU 208 Ca -0.01 -0.33 -0.03 0.00 0.02 0.00 0.00 54.13 53.78 1aij s LEU 208 Cb 0.11 -0.67 -0.04 0.00 0.02 0.00 0.00 46.19 45.62 1aij s LEU 208 CO 0.59 0.12 0.67 -0.94 0.02 0.00 0.00 176.35 176.81 1aij s SER 209 N -0.65 6.28 0.24 2.29 1.04 -1.26 -0.51 113.70 121.14 1aij s SER 209 Ca 0.04 0.71 -0.11 0.00 0.48 0.00 0.00 55.95 57.06 1aij s SER 209 Cb -0.06 -2.15 0.34 0.00 0.10 0.00 0.00 66.02 64.25 1aij s SER 209 CO 0.00 -0.44 1.59 0.28 0.98 0.00 0.00 173.24 175.65 1aij h SER 210 N 0.51 -0.83 0.06 7.02 0.02 -1.88 -0.87 113.55 117.59 1aij h SER 210 Ca -0.48 0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1aij h SER 210 Cb 1.21 0.53 -0.00 0.00 0.14 0.00 0.00 62.40 64.28 1aij h SER 210 CO 0.62 -0.28 -0.01 -2.24 -1.14 0.00 0.00 176.83 173.78 1aij h ASP 211 N -0.01 0.00 0.54 3.07 2.03 -1.94 -2.12 116.42 117.99 1aij h ASP 211 Ca 0.39 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.69 1aij h ASP 211 Cb 0.60 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.10 1aij h ASP 211 CO -0.85 0.01 -0.41 0.18 -1.03 0.00 0.00 179.24 177.14 1aij n LEU 212 N -3.54 0.47 -0.10 0.15 4.77 -0.33 -4.14 117.00 114.27 1aij n LEU 212 Ca -0.03 0.05 -0.02 0.00 -0.03 0.00 0.00 56.01 55.98 1aij n LEU 212 Cb 0.10 -0.27 0.23 0.00 -2.33 0.00 0.00 43.42 41.15 1aij n LEU 212 CO 0.25 0.11 1.00 -0.26 -1.33 0.00 0.00 177.39 177.17 1aij h PHE 213 N 0.09 0.78 -0.06 -1.77 -1.00 -1.41 -1.37 116.94 112.19 1aij h PHE 213 Ca 0.00 -0.06 -0.03 0.00 2.81 0.00 0.00 57.97 60.69 1aij h PHE 213 Cb 0.50 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 1aij h PHE 213 CO 0.00 0.65 -0.11 0.00 -1.61 0.00 0.00 178.31 177.24 1aij h ALA 214 N 1.41 1.70 0.00 2.45 0.00 -1.77 -2.31 119.26 120.76 1aij h ALA 214 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1aij h ALA 214 Cb 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1aij h ALA 214 CO -0.01 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.88 1aij n GLY 215 N -1.10 -1.28 3.73 0.00 0.00 -0.52 -4.83 105.19 101.19 1aij n GLY 215 Ca -0.02 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1aij n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aij s ILE 216 N -3.01 2.36 0.18 -0.61 1.01 -0.87 -4.91 121.20 115.35 1aij s ILE 216 Ca 0.11 0.27 -0.32 0.00 0.00 0.00 0.00 60.65 60.71 1aij s ILE 216 Cb 0.15 -3.17 -0.16 0.00 0.01 0.00 0.00 42.46 39.29 1aij s ILE 216 CO 0.41 0.03 1.14 -2.65 0.00 0.00 0.00 174.94 173.87 1aij n PRO 217 N 3.40 1.15 -3.13 2.79 -0.02 -1.26 -4.99 135.00 132.94 1aij n PRO 217 Ca 0.12 0.41 -0.23 0.00 -2.02 0.00 0.00 63.50 61.78 1aij n PRO 217 Cb 0.38 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1aij n PRO 217 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1aij s THR 218 N -0.28 4.40 -0.01 3.45 2.01 -1.26 -4.74 115.64 119.21 1aij s THR 218 Ca 0.72 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 62.21 1aij s THR 218 Cb -0.84 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 1aij s THR 218 CO 0.53 -0.42 0.17 0.27 -0.69 0.00 0.00 174.62 174.48 1aij s ILE 219 N -2.46 5.35 0.02 1.82 -4.36 -1.26 -5.00 121.20 115.30 1aij s ILE 219 Ca 0.45 -0.19 -0.24 0.00 -0.26 0.00 0.00 60.65 60.41 1aij s ILE 219 Cb -0.10 -3.50 -0.17 0.00 1.25 0.00 0.00 42.46 39.94 1aij s ILE 219 CO 0.37 0.32 1.40 0.11 0.24 0.00 0.00 174.94 177.39 1aij h LYS 220 N 3.83 0.09 -5.50 0.37 1.57 -2.00 -3.41 116.57 111.52 1aij h LYS 220 Ca -0.49 -0.04 -0.64 0.00 -1.87 0.00 0.00 60.65 57.62 1aij h LYS 220 Cb 1.19 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 33.38 1aij h LYS 220 CO 0.68 0.43 -0.51 0.45 -0.57 0.00 0.00 179.45 179.93 1aij s SER 221 N -5.67 6.08 0.00 0.86 0.15 -1.26 -4.99 113.70 108.87 1aij s SER 221 Ca -0.15 0.29 0.11 0.00 0.70 0.00 0.00 55.95 56.91 1aij s SER 221 Cb 0.04 -1.99 0.51 0.00 -1.71 0.00 0.00 66.02 62.86 1aij s SER 221 CO 0.69 0.29 1.33 -0.81 1.20 0.00 0.00 173.24 175.95 1aij n PRO 222 N 2.74 0.05 0.00 5.44 -0.04 -1.26 -3.38 135.00 138.55 1aij n PRO 222 Ca -0.18 0.27 0.08 0.00 -0.04 0.00 0.00 63.50 63.63 1aij n PRO 222 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1aij n PRO 222 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1aij n THR 223 N -1.43 0.00 -3.64 0.52 -2.24 -1.26 -4.93 114.28 101.29 1aij n THR 223 Ca 0.04 -0.35 -0.11 0.00 -2.27 0.00 0.00 64.05 61.36 1aij n THR 223 Cb 0.12 1.20 -0.05 0.00 -2.10 0.00 0.00 70.33 69.50 1aij n THR 223 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1aij s GLU 224 N -1.86 1.03 -0.03 -0.78 -1.05 -1.22 -4.41 118.70 110.39 1aij s GLU 224 Ca 0.14 -0.62 0.05 0.00 -0.15 0.00 0.00 54.97 54.39 1aij s GLU 224 Cb 0.13 0.45 -0.01 0.00 -0.44 0.00 0.00 34.13 34.26 1aij s GLU 224 CO 0.39 -0.39 -0.18 0.54 0.95 0.00 0.00 175.26 176.57 1aij s VAL 225 N -3.47 1.47 0.46 1.83 0.11 -1.26 -4.43 120.40 115.10 1aij s VAL 225 Ca 0.01 -0.77 -0.00 0.00 -2.93 0.00 0.00 61.98 58.28 1aij s VAL 225 Cb 0.01 -1.23 -0.01 0.00 -1.53 0.00 0.00 36.38 33.62 1aij s VAL 225 CO -0.10 0.42 0.69 0.42 -3.33 0.00 0.00 175.10 173.20 1aij s THR 226 N -0.26 4.07 0.24 5.04 -4.23 -1.26 -4.22 115.64 115.02 1aij s THR 226 Ca 0.03 -0.43 -0.06 0.00 -1.18 0.00 0.00 61.69 60.05 1aij s THR 226 Cb -0.09 -3.51 0.20 0.00 1.34 0.00 0.00 72.50 70.44 1aij s THR 226 CO 0.00 -0.38 1.86 -0.07 -0.54 0.00 0.00 174.62 175.49 1aij h LEU 227 N 0.37 0.84 -0.03 4.79 3.38 -1.26 0.29 115.31 123.68 1aij h LEU 227 Ca -0.46 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1aij h LEU 227 Cb 1.25 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1aij h LEU 227 CO 0.58 0.55 0.01 0.25 0.09 0.00 0.00 178.44 179.92 1aij h LEU 228 N 0.97 0.02 -0.85 1.67 6.46 -1.65 -0.23 115.31 121.70 1aij h LEU 228 Ca 0.36 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 58.11 1aij h LEU 228 Cb 0.12 -0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 1aij h LEU 228 CO -0.16 0.01 0.51 -0.33 -0.62 0.00 0.00 178.44 177.86 1aij h GLU 229 N 0.03 1.15 -0.59 1.25 5.08 -1.70 -1.12 114.58 118.68 1aij h GLU 229 Ca 0.01 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1aij h GLU 229 Cb 0.00 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 1aij h GLU 229 CO -0.01 0.81 0.39 0.93 -1.00 0.00 0.00 179.01 180.12 1aij h GLU 230 N 1.17 0.78 -0.63 2.33 5.08 -0.51 0.02 114.58 122.81 1aij h GLU 230 Ca 0.30 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.53 1aij h GLU 230 Cb -0.05 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 1aij h GLU 230 CO -0.06 0.52 0.08 0.22 -1.00 0.00 0.00 179.01 178.78 1aij h ASP 231 N 0.80 1.02 -0.29 1.42 3.58 -0.47 0.74 116.42 123.22 1aij h ASP 231 Ca 0.22 -0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 1aij h ASP 231 Cb -0.08 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.69 1aij h ASP 231 CO -0.05 1.04 0.10 0.11 -2.88 0.00 0.00 179.24 177.56 1aij h LYS 232 N 0.97 0.45 0.37 0.28 1.57 -0.79 -0.46 116.57 118.96 1aij h LYS 232 Ca 0.19 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1aij h LYS 232 Cb 0.46 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1aij h LYS 232 CO 0.02 0.49 -0.18 0.82 -0.57 0.00 0.00 179.45 180.03 1aij h ILE 233 N 0.32 0.65 -0.88 1.86 2.04 -0.80 -0.64 117.51 120.05 1aij h ILE 233 Ca 0.10 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1aij h ILE 233 Cb 0.22 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1aij h ILE 233 CO -0.00 0.02 0.50 0.00 0.00 0.00 0.00 178.15 178.67 1aij h GLY 235 N 1.23 0.30 0.83 0.00 0.00 -0.97 -1.56 103.07 102.89 1aij h GLY 235 Ca 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1aij h GLY 235 CO -0.05 0.15 -0.16 -1.82 0.00 0.00 0.00 176.54 174.66 1aij h TYR 236 N 0.14 -0.41 -0.24 5.60 5.03 -0.72 -0.84 116.97 125.53 1aij h TYR 236 Ca 0.06 0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.39 1aij h TYR 236 Cb 0.18 0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.59 1aij h TYR 236 CO -0.01 -0.24 0.09 0.28 -1.32 0.00 0.00 178.16 176.96 1aij h VAL 237 N -0.35 0.95 -0.43 1.81 2.07 -1.06 -2.39 116.25 116.84 1aij h VAL 237 Ca -0.00 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 1aij h VAL 237 Cb 0.33 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1aij h VAL 237 CO -0.03 0.04 0.06 0.00 0.02 0.00 0.00 177.57 177.65 1aij h ALA 238 N 1.14 1.29 -0.05 1.67 0.00 -1.16 -2.26 119.26 119.89 1aij h ALA 238 Ca 0.10 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1aij h ALA 238 Cb 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1aij h ALA 238 CO -0.10 0.49 0.11 0.78 0.00 0.00 0.00 179.25 180.53 1aij h GLY 239 N 0.90 0.00 2.00 0.00 0.00 -0.63 -1.04 103.07 104.30 1aij h GLY 239 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1aij h GLY 239 CO 0.01 0.00 -0.08 -1.33 0.00 0.00 0.00 176.54 175.14 1aij h GLY 240 N 0.00 0.00 0.98 4.60 0.00 -1.25 -1.80 103.07 105.61 1aij h GLY 240 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 1aij h GLY 240 CO -0.00 0.00 0.07 1.41 0.00 0.00 0.00 176.54 178.02 1aij h LEU 241 N 0.00 0.79 0.02 3.11 3.38 -1.28 0.92 115.31 122.25 1aij h LEU 241 Ca -0.00 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1aij h LEU 241 Cb 0.25 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1aij h LEU 241 CO 0.01 0.86 -0.01 -0.03 0.09 0.00 0.00 178.44 179.35 1aij h MET 242 N 0.70 -0.03 0.00 1.13 4.05 -1.72 -3.35 114.93 115.70 1aij h MET 242 Ca 0.15 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.51 1aij h MET 242 Cb 0.40 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 1aij h MET 242 CO 0.01 0.27 -0.28 1.88 0.23 0.00 0.00 176.91 179.02 1aij h TYR 243 N -1.00 0.00 -0.05 1.39 0.05 -1.38 -2.78 116.97 113.20 1aij h TYR 243 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1aij h TYR 243 Cb 0.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 1aij h TYR 243 CO 0.08 0.28 0.00 0.00 -1.05 0.00 0.00 178.16 177.47 1aij n ALA 244 N -2.19 2.54 -0.34 3.88 0.00 0.31 -4.49 120.51 120.22 1aij n ALA 244 Ca 0.02 -0.53 0.16 0.00 0.00 0.00 0.00 53.44 53.09 1aij n ALA 244 Cb 0.58 -1.07 0.37 0.00 0.00 0.00 0.00 19.45 19.34 1aij n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aij h ALA 245 N 4.41 1.82 -0.15 0.00 0.00 -1.55 0.51 119.26 124.29 1aij h ALA 245 Ca 0.00 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1aij h ALA 245 Cb 0.63 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1aij h ALA 245 CO 0.00 -0.20 0.25 -1.35 0.00 0.00 0.00 179.25 177.95 1aij h PRO 246 N 0.65 0.00 -0.31 0.00 0.11 -1.83 -2.51 132.00 128.11 1aij h PRO 246 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 1aij h PRO 246 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1aij h PRO 246 CO -0.37 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.05 1aij n LYS 247 N -3.48 2.23 -2.77 1.05 5.02 0.16 -4.93 118.16 115.44 1aij n LYS 247 Ca 0.01 -2.05 -0.43 0.00 -2.02 0.00 0.00 58.31 53.82 1aij n LYS 247 Cb 0.36 -1.42 -0.04 0.00 -0.02 0.00 0.00 35.03 33.91 1aij n LYS 247 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1aij s ARG 248 N -1.30 3.60 0.47 1.97 3.52 -0.95 -3.26 118.95 123.00 1aij s ARG 248 Ca 0.31 0.28 -0.20 0.00 -0.13 0.00 0.00 55.73 55.99 1aij s ARG 248 Cb 0.18 -3.91 -0.09 0.00 -1.56 0.00 0.00 34.95 29.57 1aij s ARG 248 CO 0.26 -1.24 1.02 0.15 -0.81 0.00 0.00 175.30 174.68 1aij s LYS 249 N 3.89 3.90 0.88 5.12 1.02 -0.62 -4.98 119.74 128.95 1aij s LYS 249 Ca 0.40 1.31 -0.11 0.00 0.02 0.00 0.00 55.97 57.58 1aij s LYS 249 Cb -0.10 -2.12 0.12 0.00 -0.52 0.00 0.00 37.83 35.22 1aij s LYS 249 CO 0.27 -0.34 1.09 -1.54 -0.92 0.00 0.00 175.35 173.91 1aij s SER 250 N -2.02 3.62 0.31 2.83 1.04 -1.26 -4.78 113.70 113.44 1aij s SER 250 Ca 0.66 1.46 0.04 0.00 0.48 0.00 0.00 55.95 58.59 1aij s SER 250 Cb -0.15 -2.15 0.64 0.00 0.10 0.00 0.00 66.02 64.46 1aij s SER 250 CO 0.18 -2.54 1.86 -0.37 0.98 0.00 0.00 173.24 173.35 1aij h VAL 251 N -1.48 0.92 -0.11 5.02 -1.51 -1.98 0.47 116.25 117.58 1aij h VAL 251 Ca -0.49 -0.31 -0.11 0.00 -1.23 0.00 0.00 66.70 64.56 1aij h VAL 251 Cb 1.28 -0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.37 1aij h VAL 251 CO 0.55 0.16 -0.42 1.62 -1.23 0.00 0.00 177.57 178.25 1aij h VAL 252 N 0.90 1.31 -0.30 7.19 3.04 -1.97 0.23 116.25 126.67 1aij h VAL 252 Ca 0.46 -1.55 -0.15 0.00 -1.01 0.00 0.00 66.70 64.44 1aij h VAL 252 Cb 0.50 1.70 -0.01 0.00 -2.01 0.00 0.00 31.29 31.47 1aij h VAL 252 CO -0.22 0.46 -0.42 0.00 -1.01 0.00 0.00 177.57 176.39 1aij h ALA 253 N 1.35 0.70 -0.03 3.17 0.00 -1.45 -3.15 119.26 119.85 1aij h ALA 253 Ca 0.02 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 1aij h ALA 253 Cb 0.84 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1aij h ALA 253 CO 0.07 0.67 -0.55 0.00 0.00 0.00 0.00 179.25 179.43 1aij h ALA 254 N 0.93 1.02 -0.26 0.00 0.00 -0.35 -3.11 119.26 117.49 1aij h ALA 254 Ca 0.04 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1aij h ALA 254 Cb 0.97 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1aij h ALA 254 CO 0.09 0.69 0.00 0.00 0.00 0.00 0.00 179.25 180.03 1aij n MET 255 N -3.90 2.64 0.00 0.00 0.00 0.01 -5.08 117.12 110.80 1aij n MET 255 Ca -0.02 -1.37 0.00 0.00 0.00 0.00 0.00 57.70 56.31 1aij n MET 255 Cb 0.57 -1.79 0.00 0.00 0.00 0.00 0.00 33.22 31.99 1aij n MET 255 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86