#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g2w s THR 9 N 0.00 4.08 0.30 2.62 -4.23 -1.26 -4.94 115.64 112.21 3g2w s THR 9 Ca 0.00 -0.45 0.03 0.00 -1.18 0.00 0.00 61.69 60.08 3g2w s THR 9 Cb 0.00 -3.51 0.29 0.00 1.34 0.00 0.00 72.50 70.62 3g2w s THR 9 CO 0.00 -0.37 1.84 -0.07 -0.54 0.00 0.00 174.62 175.48 3g2w h LEU 10 N 0.39 0.88 0.49 4.79 4.07 -1.97 0.11 115.31 124.08 3g2w h LEU 10 Ca -0.46 0.05 -0.02 0.00 0.08 0.00 0.00 57.88 57.52 3g2w h LEU 10 Cb 1.25 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.86 3g2w h LEU 10 CO 0.58 0.46 -0.24 -0.33 -1.08 0.00 0.00 178.44 177.83 3g2w h GLU 11 N 0.94 -0.64 -0.85 1.13 3.07 -1.98 1.11 114.58 117.36 3g2w h GLU 11 Ca 0.49 0.04 0.20 0.00 -0.50 0.00 0.00 59.36 59.59 3g2w h GLU 11 Cb 0.53 0.15 -0.12 0.00 -0.84 0.00 0.00 28.75 28.46 3g2w h GLU 11 CO -0.25 -0.34 0.33 0.00 -1.40 0.00 0.00 179.01 177.35 3g2w h ALA 12 N -0.57 1.28 -0.31 3.43 0.00 -1.93 0.17 119.26 121.33 3g2w h ALA 12 Ca -0.07 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3g2w h ALA 12 Cb 0.60 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3g2w h ALA 12 CO 0.11 -0.33 -0.09 0.00 0.00 0.00 0.00 179.25 178.94 3g2w h ARG 13 N 0.37 0.62 -0.52 0.00 3.08 -0.10 -1.87 114.38 115.95 3g2w h ARG 13 Ca 0.51 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 60.23 3g2w h ARG 13 Cb 0.93 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 3g2w h ARG 13 CO -0.52 0.81 -0.00 0.97 -1.07 0.00 0.00 179.97 180.16 3g2w h ILE 14 N 0.39 1.26 -0.46 2.04 6.09 0.21 -1.78 117.51 125.27 3g2w h ILE 14 Ca 0.08 -1.10 -0.02 0.00 -1.37 0.00 0.00 64.86 62.45 3g2w h ILE 14 Cb 0.60 0.93 -0.02 0.00 0.47 0.00 0.00 36.82 38.80 3g2w h ILE 14 CO 0.03 0.39 0.21 0.78 -3.07 0.00 0.00 178.15 176.49 3g2w h ASN 15 N 0.80 0.57 -0.22 2.19 2.35 -0.59 -1.59 115.58 119.09 3g2w h ASN 15 Ca 0.15 -0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.72 3g2w h ASN 15 Cb 0.53 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 3g2w h ASN 15 CO 0.03 0.50 -0.34 -0.09 -1.65 0.00 0.00 177.43 175.88 3g2w h ARG 16 N 0.64 0.61 0.00 0.81 2.43 -1.12 -2.91 114.38 114.85 3g2w h ARG 16 Ca 0.16 -0.37 -0.03 0.00 -0.81 0.00 0.00 59.98 58.93 3g2w h ARG 16 Cb 0.09 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3g2w h ARG 16 CO -0.02 0.98 -0.16 0.00 -1.51 0.00 0.00 179.97 179.25 3g2w h ALA 17 N 0.63 1.07 0.00 2.80 0.00 -0.41 -3.10 119.26 120.25 3g2w h ALA 17 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3g2w h ALA 17 Cb 0.92 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3g2w h ALA 17 CO 0.08 0.21 -0.00 0.25 0.00 0.00 0.00 179.25 179.78 3g2w n THR 18 N -3.38 0.84 -1.56 0.00 -2.24 -0.89 -4.68 114.28 102.37 3g2w n THR 18 Ca -0.00 -0.85 -0.59 0.00 -2.27 0.00 0.00 64.05 60.34 3g2w n THR 18 Cb 0.37 0.57 -0.08 0.00 -2.10 0.00 0.00 70.33 69.08 3g2w n THR 18 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3g2w n ASN 19 N -0.44 0.54 0.02 3.42 2.85 -1.10 -4.41 115.26 116.15 3g2w n ASN 19 Ca 0.01 1.15 0.08 0.00 -0.11 0.00 0.00 54.58 55.70 3g2w n ASN 19 Cb 0.31 -0.97 0.33 0.00 1.24 0.00 0.00 39.78 40.69 3g2w n ASN 19 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3g2w n PRO 20 N 2.16 0.03 0.07 1.20 -0.02 -1.26 -2.73 135.00 134.46 3g2w n PRO 20 Ca 0.21 0.29 -0.04 0.00 -2.02 0.00 0.00 63.50 61.94 3g2w n PRO 20 Cb 0.08 -1.56 -0.08 0.00 -0.02 0.00 0.00 33.50 31.92 3g2w n PRO 20 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3g2w h LEU 21 N 0.00 0.00 -9.15 2.45 3.38 -1.98 -3.47 115.31 106.53 3g2w h LEU 21 Ca 0.00 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 3g2w h LEU 21 Cb 0.26 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.08 3g2w h LEU 21 CO 0.00 0.84 0.11 0.59 0.09 0.00 0.00 178.44 180.07 3g2w n ASN 22 N -3.27 0.52 -0.55 -0.43 3.02 -1.10 -4.89 115.26 108.56 3g2w n ASN 22 Ca -0.01 1.14 0.14 0.00 -0.03 0.00 0.00 54.58 55.82 3g2w n ASN 22 Cb 0.89 -1.06 0.46 0.00 -0.61 0.00 0.00 39.78 39.46 3g2w n ASN 22 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3g2w n LYS 23 N 1.69 1.75 -3.78 3.52 5.02 -1.26 -4.93 118.16 120.17 3g2w n LYS 23 Ca 0.18 -1.10 -0.03 0.00 -2.02 0.00 0.00 58.31 55.34 3g2w n LYS 23 Cb 0.18 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.71 3g2w n LYS 23 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3g2w s GLU 24 N -1.98 1.25 0.30 1.97 -1.05 -1.26 -5.14 118.70 112.79 3g2w s GLU 24 Ca 0.37 -0.72 -0.30 0.00 -0.15 0.00 0.00 54.97 54.17 3g2w s GLU 24 Cb 0.21 0.41 -0.12 0.00 -0.44 0.00 0.00 34.13 34.18 3g2w s GLU 24 CO 0.33 -0.58 1.46 1.28 0.95 0.00 0.00 175.26 178.70 3g2w n LEU 25 N -0.52 3.86 -4.17 1.83 4.77 -1.26 -4.95 117.00 116.56 3g2w n LEU 25 Ca -0.06 1.17 -0.40 0.00 -0.03 0.00 0.00 56.01 56.69 3g2w n LEU 25 Cb 0.60 -1.52 -0.07 0.00 -2.33 0.00 0.00 43.42 40.10 3g2w n LEU 25 CO 0.15 -0.18 0.17 -0.62 -1.33 0.00 0.00 177.39 175.58 3g2w s ASP 26 N 0.18 5.75 0.18 -1.43 2.15 -1.26 -4.95 116.67 117.29 3g2w s ASP 26 Ca 0.62 -2.79 0.04 0.00 0.43 0.00 0.00 52.55 50.85 3g2w s ASP 26 Cb -0.55 -1.97 0.04 0.00 -0.30 0.00 0.00 42.92 40.13 3g2w s ASP 26 CO 0.54 -0.44 1.41 -0.50 -0.17 0.00 0.00 175.17 176.01 3g2w h TRP 27 N 7.30 0.25 -0.80 -5.34 4.06 -1.96 -1.90 115.95 117.56 3g2w h TRP 27 Ca 0.02 -0.13 0.11 0.00 2.06 0.00 0.00 58.89 60.95 3g2w h TRP 27 Cb 0.98 -0.03 -0.13 0.00 -1.00 0.00 0.00 29.16 28.98 3g2w h TRP 27 CO 0.82 0.92 -0.43 0.00 -3.56 0.00 0.00 178.44 176.18 3g2w h ALA 28 N 1.04 -0.16 0.13 1.49 0.00 -1.99 -0.19 119.26 119.57 3g2w h ALA 28 Ca -0.03 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3g2w h ALA 28 Cb 1.44 1.03 0.00 0.00 0.00 0.00 0.00 17.79 20.25 3g2w h ALA 28 CO 0.12 -0.76 -0.06 0.77 0.00 0.00 0.00 179.25 179.32 3g2w h SER 29 N -0.10 -0.14 -0.97 0.00 0.02 -1.77 -1.90 113.55 108.68 3g2w h SER 29 Ca 0.24 -0.37 0.09 0.00 -0.84 0.00 0.00 61.79 60.91 3g2w h SER 29 Cb 0.55 0.04 -0.12 0.00 0.14 0.00 0.00 62.40 63.01 3g2w h SER 29 CO -0.83 0.34 -0.58 0.40 -1.14 0.00 0.00 176.83 175.02 3g2w h ILE 30 N -0.67 0.00 0.09 3.27 2.04 -1.36 -1.24 117.51 119.64 3g2w h ILE 30 Ca -0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 3g2w h ILE 30 Cb 0.51 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3g2w h ILE 30 CO 0.03 0.00 -0.04 0.78 0.00 0.00 0.00 178.15 178.91 3g2w h ASN 31 N -0.02 -0.10 -0.79 1.72 2.35 -1.04 -2.26 115.58 115.44 3g2w h ASN 31 Ca 0.17 -0.11 0.16 0.00 -0.55 0.00 0.00 56.30 55.97 3g2w h ASN 31 Cb 0.43 0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.77 3g2w h ASN 31 CO -0.93 0.04 0.53 1.23 -1.65 0.00 0.00 177.43 176.66 3g2w h GLY 32 N -0.24 0.76 0.98 2.83 0.00 -1.26 0.67 103.07 106.79 3g2w h GLY 32 Ca -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 3g2w h GLY 32 CO 0.02 0.05 -0.00 -2.75 0.00 0.00 0.00 176.54 173.86 3g2w h PHE 33 N 0.43 -0.01 -0.72 5.60 3.04 -0.83 -1.04 116.94 123.41 3g2w h PHE 33 Ca 0.40 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.29 3g2w h PHE 33 Cb 0.91 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.40 3g2w h PHE 33 CO -0.00 0.02 0.25 0.00 -2.02 0.00 0.00 178.31 176.56 3g2w h GLU 35 N 1.06 0.71 0.00 0.00 4.39 -0.97 -3.28 114.58 116.49 3g2w h GLU 35 Ca 0.24 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 3g2w h GLU 35 Cb 0.26 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3g2w h GLU 35 CO -0.01 0.77 -0.08 0.37 -1.16 0.00 0.00 179.01 178.90 3g2w h GLN 36 N 0.55 0.00 0.10 2.33 4.15 -0.47 -3.18 115.11 118.60 3g2w h GLN 36 Ca 0.12 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.31 3g2w h GLN 36 Cb 0.42 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 3g2w h GLN 36 CO 0.01 0.08 -1.18 1.37 -1.93 0.00 0.00 178.83 177.19 3g2w h LEU 37 N 0.00 0.34 -0.15 -2.39 8.10 -1.51 -3.30 115.31 116.40 3g2w h LEU 37 Ca -0.00 -0.86 0.00 0.00 0.11 0.00 0.00 57.88 57.13 3g2w h LEU 37 Cb 0.45 -0.11 0.00 0.00 -0.44 0.00 0.00 40.66 40.56 3g2w h LEU 37 CO 0.01 1.52 0.00 0.59 -4.11 0.00 0.00 178.44 176.45 3g2w n ASN 38 N -4.06 0.22 -0.02 0.17 5.03 -1.22 -3.13 115.26 112.26 3g2w n ASN 38 Ca -0.22 -1.49 -0.21 0.00 0.87 0.00 0.00 54.58 53.54 3g2w n ASN 38 Cb 0.84 -0.01 -0.14 0.00 -1.02 0.00 0.00 39.78 39.45 3g2w n ASN 38 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 3g2w n GLU 39 N -0.63 0.74 -4.12 3.52 0.28 -1.20 -4.94 120.64 114.29 3g2w n GLU 39 Ca 0.14 0.24 -0.28 0.00 -0.16 0.00 0.00 57.16 57.10 3g2w n GLU 39 Cb 0.10 -1.67 -0.07 0.00 1.43 0.00 0.00 31.44 31.23 3g2w n GLU 39 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3g2w s ASP 40 N -6.93 5.24 0.00 -1.84 1.11 -1.18 -5.04 116.67 108.02 3g2w s ASP 40 Ca -0.25 -0.19 0.22 0.00 0.18 0.00 0.00 52.55 52.51 3g2w s ASP 40 Cb 0.07 -1.29 0.09 0.00 1.07 0.00 0.00 42.92 42.85 3g2w s ASP 40 CO 0.73 0.11 1.12 0.49 1.18 0.00 0.00 175.17 178.81 3g2w n PHE 41 N -0.00 0.00 0.60 4.23 3.72 -1.26 -2.26 117.46 122.48 3g2w n PHE 41 Ca -0.09 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.42 3g2w n PHE 41 Cb 0.54 0.00 0.45 0.00 -0.94 0.00 0.00 39.48 39.53 3g2w n PHE 41 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3g2w n GLU 42 N 0.64 0.13 0.02 -1.08 4.71 -1.26 -4.58 120.64 119.21 3g2w n GLU 42 Ca 0.11 0.25 -0.10 0.00 -0.01 0.00 0.00 57.16 57.41 3g2w n GLU 42 Cb 0.50 -1.69 -0.08 0.00 -1.01 0.00 0.00 31.44 29.16 3g2w n GLU 42 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 3g2w h GLY 43 N 3.40 -0.16 0.42 0.62 0.00 -1.65 -3.13 103.07 102.57 3g2w h GLY 43 Ca 0.00 0.06 0.09 0.00 0.00 0.00 0.00 47.33 47.48 3g2w h GLY 43 CO 0.00 -0.06 0.28 -2.55 0.00 0.00 0.00 176.54 174.21 3g2w h PRO 44 N -0.90 0.47 -0.41 4.80 0.11 -1.68 -0.74 132.00 133.64 3g2w h PRO 44 Ca -0.02 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 3g2w h PRO 44 Cb 0.54 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 3g2w h PRO 44 CO 0.03 0.31 0.10 -1.35 -0.21 0.00 0.00 178.00 176.87 3g2w h PRO 45 N 0.48 0.60 -0.26 1.05 0.11 -1.87 -2.81 132.00 129.31 3g2w h PRO 45 Ca 0.32 -0.11 -0.20 0.00 0.11 0.00 0.00 66.00 66.13 3g2w h PRO 45 Cb 0.38 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.39 3g2w h PRO 45 CO -0.29 0.56 -0.60 1.25 -0.21 0.00 0.00 178.00 178.71 3g2w h LEU 46 N 0.59 0.97 -0.40 2.35 5.85 -1.13 -2.82 115.31 120.73 3g2w h LEU 46 Ca 0.14 -0.55 0.04 0.00 0.84 0.00 0.00 57.88 58.35 3g2w h LEU 46 Cb 0.23 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3g2w h LEU 46 CO -0.00 1.35 0.16 0.00 -0.34 0.00 0.00 178.44 179.61 3g2w h ALA 47 N 0.66 0.48 -0.39 1.25 0.00 -1.19 0.31 119.26 120.39 3g2w h ALA 47 Ca -0.00 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3g2w h ALA 47 Cb 1.22 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3g2w h ALA 47 CO 0.13 -0.22 0.23 1.79 0.00 0.00 0.00 179.25 181.18 3g2w h THR 48 N 0.34 1.14 -0.28 0.00 1.35 -1.42 -0.24 112.91 113.80 3g2w h THR 48 Ca 0.18 -0.33 0.07 0.00 -0.55 0.00 0.00 66.41 65.77 3g2w h THR 48 Cb 0.13 0.65 -0.07 0.00 -1.73 0.00 0.00 68.15 67.13 3g2w h THR 48 CO -0.16 0.14 -0.19 0.03 -0.25 0.00 0.00 175.52 175.09 3g2w h ARG 49 N 0.51 -0.16 -0.98 4.72 3.08 -1.24 0.50 114.38 120.81 3g2w h ARG 49 Ca 0.14 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.21 3g2w h ARG 49 Cb 0.03 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 3g2w h ARG 49 CO -0.02 -0.11 0.65 -0.07 -1.07 0.00 0.00 179.97 179.35 3g2w h LEU 50 N -0.17 1.12 -0.02 3.04 3.38 -0.56 -2.84 115.31 119.26 3g2w h LEU 50 Ca 0.15 -0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.87 3g2w h LEU 50 Cb 0.40 -0.28 0.02 0.00 0.09 0.00 0.00 40.66 40.88 3g2w h LEU 50 CO -0.38 0.81 -0.85 -0.07 0.09 0.00 0.00 178.44 178.03 3g2w h LEU 51 N 1.32 0.78 0.03 1.67 3.38 -0.90 -2.89 115.31 118.70 3g2w h LEU 51 Ca 0.36 -0.73 0.03 0.00 0.09 0.00 0.00 57.88 57.63 3g2w h LEU 51 Cb -0.14 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.33 3g2w h LEU 51 CO -0.08 1.41 -0.24 0.00 0.09 0.00 0.00 178.44 179.61 3g2w h ALA 52 N 0.39 -0.34 -0.64 1.53 0.00 -0.78 -0.67 119.26 118.76 3g2w h ALA 52 Ca -0.10 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.90 3g2w h ALA 52 Cb 1.52 0.42 -0.11 0.00 0.00 0.00 0.00 17.79 19.61 3g2w h ALA 52 CO 0.17 -0.75 -0.41 1.25 0.00 0.00 0.00 179.25 179.51 3g2w h HIS 53 N -0.39 -1.19 -0.32 0.00 -0.00 -1.54 -2.49 115.15 109.23 3g2w h HIS 53 Ca 0.05 0.08 -0.03 0.00 -0.00 0.00 0.00 60.37 60.48 3g2w h HIS 53 Cb 0.46 0.61 -0.02 0.00 -0.00 0.00 0.00 27.41 28.46 3g2w h HIS 53 CO -0.27 -0.41 0.07 0.87 -0.00 0.00 0.00 177.93 178.20 3g2w h LYS 54 N -0.18 0.46 0.00 5.26 1.79 -1.26 -2.75 116.57 119.89 3g2w h LYS 54 Ca 0.21 -0.07 -0.08 0.00 -2.18 0.00 0.00 60.65 58.53 3g2w h LYS 54 Cb 0.56 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 3g2w h LYS 54 CO -0.72 0.44 -0.37 0.82 -1.08 0.00 0.00 179.45 178.53 3g2w h ILE 55 N 0.46 1.07 -0.11 1.86 2.04 -0.68 -2.95 117.51 119.20 3g2w h ILE 55 Ca 0.11 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.61 3g2w h ILE 55 Cb 0.19 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 3g2w h ILE 55 CO -0.00 0.36 0.00 0.00 0.00 0.00 0.00 178.15 178.51 3g2w n GLN 56 N -3.82 1.48 -1.68 2.37 6.02 -1.04 -4.68 117.38 116.03 3g2w n GLN 56 Ca -0.01 -0.72 -0.42 0.00 -0.01 0.00 0.00 57.00 55.83 3g2w n GLN 56 Cb 0.44 -1.35 -0.00 0.00 1.02 0.00 0.00 30.24 30.35 3g2w n GLN 56 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3g2w n SER 57 N -0.05 2.39 0.00 1.08 2.88 -1.13 -4.92 113.62 113.87 3g2w n SER 57 Ca 0.15 1.16 0.11 0.00 -1.33 0.00 0.00 58.87 58.96 3g2w n SER 57 Cb 0.24 -1.45 0.49 0.00 -0.75 0.00 0.00 64.21 62.74 3g2w n SER 57 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3g2w n PRO 58 N 0.41 0.07 -3.27 -1.46 -0.02 -1.26 -4.54 135.00 124.94 3g2w n PRO 58 Ca 0.06 0.11 -0.44 0.00 -2.02 0.00 0.00 63.50 61.21 3g2w n PRO 58 Cb 0.37 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.28 3g2w n PRO 58 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3g2w s GLN 59 N -2.90 3.06 0.17 -0.52 -0.21 -1.26 -4.99 119.66 113.01 3g2w s GLN 59 Ca 0.13 -1.07 -0.24 0.00 0.02 0.00 0.00 55.36 54.20 3g2w s GLN 59 Cb 0.15 -4.10 0.07 0.00 1.00 0.00 0.00 33.01 30.12 3g2w s GLN 59 CO 0.39 -1.10 1.57 1.49 -2.12 0.00 0.00 175.29 175.52 3g2w h GLU 60 N 8.87 -0.20 -0.88 2.91 4.81 -2.00 -1.68 114.58 126.41 3g2w h GLU 60 Ca -0.28 0.01 0.18 0.00 -0.13 0.00 0.00 59.36 59.15 3g2w h GLU 60 Cb 1.10 0.05 -0.11 0.00 0.63 0.00 0.00 28.75 30.42 3g2w h GLU 60 CO 0.91 -0.13 0.43 2.35 -0.73 0.00 0.00 179.01 181.84 3g2w h TRP 61 N -0.21 0.75 0.75 0.92 -0.00 -1.95 0.13 115.95 116.33 3g2w h TRP 61 Ca 0.20 0.04 -0.03 0.00 -0.00 0.00 0.00 58.89 59.09 3g2w h TRP 61 Cb 0.56 -0.19 0.00 0.00 -0.00 0.00 0.00 29.16 29.53 3g2w h TRP 61 CO -0.68 0.09 -0.42 1.49 -0.00 0.00 0.00 178.44 178.93 3g2w h GLU 62 N 0.54 -1.04 -0.81 2.65 4.81 -1.52 -1.47 114.58 117.73 3g2w h GLU 62 Ca 0.51 0.07 0.20 0.00 -0.13 0.00 0.00 59.36 60.01 3g2w h GLU 62 Cb 0.84 0.24 -0.13 0.00 0.63 0.00 0.00 28.75 30.33 3g2w h GLU 62 CO -0.43 -0.70 0.16 0.00 -0.73 0.00 0.00 179.01 177.31 3g2w h ALA 63 N -0.89 1.06 -0.59 2.92 0.00 -1.16 -1.92 119.26 118.68 3g2w h ALA 63 Ca -0.10 0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3g2w h ALA 63 Cb 0.86 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3g2w h ALA 63 CO 0.13 -0.42 -0.03 0.82 0.00 0.00 0.00 179.25 179.75 3g2w h ILE 64 N 0.20 1.27 -0.27 0.00 1.08 -0.65 -1.89 117.51 117.25 3g2w h ILE 64 Ca 0.48 -1.18 -0.03 0.00 -0.39 0.00 0.00 64.86 63.74 3g2w h ILE 64 Cb 0.90 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 35.48 3g2w h ILE 64 CO -0.62 0.43 0.06 1.56 -0.69 0.00 0.00 178.15 178.89 3g2w h GLN 65 N 0.95 0.42 -0.96 2.37 4.20 -1.12 -2.00 115.11 118.98 3g2w h GLN 65 Ca 0.16 -0.10 0.17 0.00 0.06 0.00 0.00 58.65 58.94 3g2w h GLN 65 Cb 0.59 -0.06 -0.10 0.00 0.30 0.00 0.00 27.48 28.21 3g2w h GLN 65 CO 0.04 0.52 0.57 0.00 -0.67 0.00 0.00 178.83 179.28 3g2w h ALA 66 N 0.89 1.54 0.02 3.87 0.00 -1.08 0.12 119.26 124.62 3g2w h ALA 66 Ca 0.08 0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 3g2w h ALA 66 Cb 0.28 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3g2w h ALA 66 CO 0.00 -0.01 -0.96 -0.07 0.00 0.00 0.00 179.25 178.21 3g2w h LEU 67 N 0.76 0.38 -0.26 0.00 3.38 -1.13 0.23 115.31 118.67 3g2w h LEU 67 Ca 0.54 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 58.20 3g2w h LEU 67 Cb 0.77 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3g2w h LEU 67 CO -0.36 1.14 0.14 0.74 0.09 0.00 0.00 178.44 180.19 3g2w h THR 68 N 0.14 1.01 0.44 0.22 2.02 -0.56 0.29 112.91 116.47 3g2w h THR 68 Ca -0.07 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 3g2w h THR 68 Cb 1.61 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 3g2w h THR 68 CO 0.16 0.05 -0.50 0.58 0.37 0.00 0.00 175.52 176.18 3g2w h VAL 69 N 0.29 0.03 -0.38 3.16 2.07 -0.58 0.21 116.25 121.05 3g2w h VAL 69 Ca 0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.66 3g2w h VAL 69 Cb 0.02 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 29.78 3g2w h VAL 69 CO -0.06 0.00 -0.22 -0.11 0.02 0.00 0.00 177.57 177.19 3g2w n LEU 70 N -5.55 -0.40 -0.24 2.57 7.94 0.75 0.10 117.00 122.18 3g2w n LEU 70 Ca -0.11 1.18 -0.02 0.00 -1.11 0.00 0.00 56.01 55.94 3g2w n LEU 70 Cb 0.45 -0.34 0.05 0.00 0.53 0.00 0.00 43.42 44.11 3g2w n LEU 70 CO 0.25 -0.80 0.66 -0.08 -1.11 0.00 0.00 177.39 176.32 3g2w h GLU 71 N 0.00 -0.07 -0.57 1.96 4.81 0.10 -1.76 114.58 119.05 3g2w h GLU 71 Ca 0.06 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3g2w h GLU 71 Cb 0.16 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 3g2w h GLU 71 CO -0.36 -0.05 0.35 1.15 -0.73 0.00 0.00 179.01 179.37 3g2w h THR 72 N -0.08 1.08 0.00 0.32 2.02 0.26 -2.87 112.91 113.64 3g2w h THR 72 Ca 0.30 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 67.18 3g2w h THR 72 Cb 0.55 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3g2w h THR 72 CO -0.74 0.13 -0.29 0.00 0.37 0.00 0.00 175.52 174.99 3g2w h MET 74 N 0.00 0.00 0.00 0.00 2.07 -1.15 -3.08 114.93 112.77 3g2w h MET 74 Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 3g2w h MET 74 Cb 0.70 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.43 3g2w h MET 74 CO 0.04 0.16 0.00 0.87 1.07 0.00 0.00 176.91 179.05 3g2w h LYS 75 N 0.00 0.00 -7.60 1.72 1.57 -1.32 -3.44 116.57 107.50 3g2w h LYS 75 Ca -0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 3g2w h LYS 75 Cb 1.09 0.00 0.14 0.00 0.08 0.00 0.00 32.23 33.54 3g2w h LYS 75 CO 0.02 0.00 0.32 -1.54 -0.57 0.00 0.00 179.45 177.68 3g2w s SER 76 N -5.30 3.41 -0.44 0.86 1.04 -1.17 -5.08 113.70 107.03 3g2w s SER 76 Ca 0.05 -0.01 0.06 0.00 0.48 0.00 0.00 55.95 56.52 3g2w s SER 76 Cb 0.09 -0.10 0.17 0.00 0.10 0.00 0.00 66.02 66.28 3g2w s SER 76 CO 0.55 -2.52 0.54 0.00 0.98 0.00 0.00 173.24 172.79 3g2w n GLY 78 N 3.59 0.08 0.06 0.00 0.00 -1.26 -5.13 105.19 102.52 3g2w n GLY 78 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 3g2w n GLY 78 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3g2w h LYS 79 N 0.00 0.00 -0.90 1.61 3.64 -1.98 -2.74 116.57 116.20 3g2w h LYS 79 Ca 0.00 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.57 3g2w h LYS 79 Cb 0.00 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 31.65 3g2w h LYS 79 CO 0.00 0.33 -0.18 0.00 -2.27 0.00 0.00 179.45 177.33 3g2w h ARG 80 N -1.00 0.01 -0.61 1.90 2.47 -1.99 0.43 114.38 115.59 3g2w h ARG 80 Ca -0.00 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 3g2w h ARG 80 Cb 0.34 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.63 3g2w h ARG 80 CO -0.00 0.01 0.31 0.35 0.56 0.00 0.00 179.97 181.19 3g2w h PHE 81 N 0.01 0.87 -0.60 3.04 3.57 -1.92 0.15 116.94 122.05 3g2w h PHE 81 Ca 0.45 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.98 3g2w h PHE 81 Cb 0.73 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.14 3g2w h PHE 81 CO -0.66 0.65 0.29 0.45 -2.23 0.00 0.00 178.31 176.81 3g2w h HIS 82 N 0.83 0.52 -0.36 0.41 3.86 -0.93 -1.92 115.15 117.55 3g2w h HIS 82 Ca 0.21 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.38 3g2w h HIS 82 Cb 0.10 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 3g2w h HIS 82 CO -0.00 0.21 -0.06 -0.44 0.86 0.00 0.00 177.93 178.50 3g2w h ASP 83 N 0.53 0.58 -0.16 2.45 3.45 -0.46 -2.24 116.42 120.56 3g2w h ASP 83 Ca 0.28 -0.14 -0.19 0.00 0.43 0.00 0.00 57.03 57.42 3g2w h ASP 83 Cb 0.25 -0.15 0.01 0.00 -0.56 0.00 0.00 39.33 38.88 3g2w h ASP 83 CO -0.22 0.69 -0.65 -0.33 -1.57 0.00 0.00 179.24 177.15 3g2w h GLU 84 N 0.56 0.72 -0.27 3.56 4.39 -0.36 -3.07 114.58 120.11 3g2w h GLU 84 Ca 0.11 -0.56 -0.09 0.00 0.34 0.00 0.00 59.36 59.16 3g2w h GLU 84 Cb 0.44 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 3g2w h GLU 84 CO 0.02 1.18 -0.21 0.28 -1.16 0.00 0.00 179.01 179.12 3g2w h VAL 85 N 0.43 1.26 -0.50 3.13 2.07 -1.26 -3.18 116.25 118.20 3g2w h VAL 85 Ca -0.04 -1.20 -0.33 0.00 0.82 0.00 0.00 66.70 65.95 3g2w h VAL 85 Cb 1.28 1.28 -0.14 0.00 -1.52 0.00 0.00 31.29 32.19 3g2w h VAL 85 CO 0.14 0.39 0.43 0.61 0.02 0.00 0.00 177.57 179.15 3g2w n GLY 86 N -0.44 4.15 3.30 2.17 0.00 -0.85 -4.35 105.19 109.16 3g2w n GLY 86 Ca -0.00 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 3g2w n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g2w s LYS 87 N -1.86 1.70 0.15 1.61 1.02 -1.20 -4.66 119.74 116.50 3g2w s LYS 87 Ca 0.32 -1.00 -0.17 0.00 0.02 0.00 0.00 55.97 55.14 3g2w s LYS 87 Cb 0.25 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.75 3g2w s LYS 87 CO -0.01 0.47 1.80 0.74 -0.92 0.00 0.00 175.35 177.43 3g2w h PHE 88 N 4.98 0.42 0.00 3.18 0.04 -1.90 -1.22 116.94 122.44 3g2w h PHE 88 Ca -0.44 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.34 3g2w h PHE 88 Cb 1.14 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.15 3g2w h PHE 88 CO 0.47 0.26 0.00 -2.13 -0.60 0.00 0.00 178.31 176.31 3g2w n ARG 89 N -4.86 0.00 -0.02 1.51 0.63 -1.26 -0.44 116.66 112.21 3g2w n ARG 89 Ca -0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.95 3g2w n ARG 89 Cb 0.04 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 32.81 3g2w n ARG 89 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3g2w n PHE 90 N -2.31 0.30 0.08 -0.14 7.35 -0.81 -4.41 117.46 117.51 3g2w n PHE 90 Ca 0.00 0.10 -0.11 0.00 -0.76 0.00 0.00 57.45 56.68 3g2w n PHE 90 Cb 0.00 -0.82 -0.03 0.00 0.35 0.00 0.00 39.48 38.97 3g2w n PHE 90 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3g2w h LEU 91 N 0.00 0.36 -1.55 -2.13 4.07 0.00 -2.93 115.31 113.13 3g2w h LEU 91 Ca -0.21 -0.30 0.09 0.00 0.08 0.00 0.00 57.88 57.55 3g2w h LEU 91 Cb 1.52 -0.11 -0.04 0.00 1.08 0.00 0.00 40.66 43.11 3g2w h LEU 91 CO 0.02 1.11 0.43 0.78 -1.08 0.00 0.00 178.44 179.70 3g2w h ASN 92 N 0.14 0.46 0.28 -0.43 2.35 -0.96 -1.56 115.58 115.86 3g2w h ASN 92 Ca -0.06 0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.57 3g2w h ASN 92 Cb 1.57 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.84 3g2w h ASN 92 CO 0.15 0.28 -0.50 -0.33 -1.65 0.00 0.00 177.43 175.37 3g2w h GLU 93 N 0.51 0.26 0.05 0.81 4.39 -1.73 0.97 114.58 119.85 3g2w h GLU 93 Ca 0.30 -0.15 -0.23 0.00 0.34 0.00 0.00 59.36 59.61 3g2w h GLU 93 Cb 0.49 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 3g2w h GLU 93 CO -0.09 0.71 -1.05 -0.07 -1.16 0.00 0.00 179.01 177.34 3g2w h LEU 94 N 0.21 0.29 -0.62 1.33 3.38 -1.40 -3.16 115.31 115.35 3g2w h LEU 94 Ca 0.01 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 57.57 3g2w h LEU 94 Cb 0.96 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3g2w h LEU 94 CO 0.08 1.16 -0.22 0.40 0.09 0.00 0.00 178.44 179.96 3g2w h ILE 95 N 0.08 1.27 -0.98 1.22 2.04 -1.03 -2.30 117.51 117.81 3g2w h ILE 95 Ca -0.08 -1.35 0.14 0.00 1.00 0.00 0.00 64.86 64.57 3g2w h ILE 95 Cb 1.75 1.17 -0.09 0.00 -0.74 0.00 0.00 36.82 38.91 3g2w h ILE 95 CO 0.16 0.46 0.61 0.11 0.00 0.00 0.00 178.15 179.49 3g2w h LYS 96 N 0.75 0.88 0.00 2.37 1.57 -0.80 -1.81 116.57 119.53 3g2w h LYS 96 Ca 0.10 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 3g2w h LYS 96 Cb 0.75 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3g2w h LYS 96 CO 0.06 0.58 -0.43 0.28 -0.57 0.00 0.00 179.45 179.38 3g2w h VAL 97 N 0.91 1.06 -0.00 0.50 2.07 -1.38 0.15 116.25 119.55 3g2w h VAL 97 Ca 0.51 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.42 3g2w h VAL 97 Cb 0.58 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 3g2w h VAL 97 CO -0.30 0.42 -0.91 1.33 0.02 0.00 0.00 177.57 178.13 3g2w n VAL 98 N -3.67 0.00 -3.28 2.57 0.24 -0.96 -3.26 118.33 109.96 3g2w n VAL 98 Ca -0.01 -0.04 -0.38 0.00 -2.04 0.00 0.00 64.34 61.87 3g2w n VAL 98 Cb 0.51 1.03 -0.06 0.00 -1.47 0.00 0.00 33.84 33.85 3g2w n VAL 98 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3g2w s SER 99 N -2.89 6.72 0.26 -1.34 0.15 -0.72 -4.69 113.70 111.19 3g2w s SER 99 Ca 0.09 0.86 0.01 0.00 0.70 0.00 0.00 55.95 57.61 3g2w s SER 99 Cb 0.16 -2.30 0.34 0.00 -1.71 0.00 0.00 66.02 62.51 3g2w s SER 99 CO 0.81 -0.01 1.69 -0.65 1.20 0.00 0.00 173.24 176.28 3g2w h PRO 100 N 6.71 0.55 -0.99 5.44 0.11 -1.88 2.03 132.00 143.97 3g2w h PRO 100 Ca -0.41 -0.22 0.20 0.00 0.11 0.00 0.00 66.00 65.68 3g2w h PRO 100 Cb 1.18 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.17 3g2w h PRO 100 CO 0.75 0.76 0.62 -0.22 -0.21 0.00 0.00 178.00 179.70 3g2w h LYS 101 N 0.48 0.65 0.00 1.05 3.64 -1.94 -3.39 116.57 117.06 3g2w h LYS 101 Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3g2w h LYS 101 Cb 0.71 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3g2w h LYS 101 CO 0.05 0.43 0.00 0.66 -2.27 0.00 0.00 179.45 178.33 3g2w n TYR 102 N -4.70 0.00 0.85 1.91 4.02 -0.96 -4.96 117.16 113.32 3g2w n TYR 102 Ca 0.23 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.23 3g2w n TYR 102 Cb 0.62 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 40.02 3g2w n TYR 102 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3g2w n LEU 103 N 0.00 0.67 0.00 7.72 7.99 0.52 -4.58 117.00 129.32 3g2w n LEU 103 Ca 0.00 -0.13 0.11 0.00 -0.01 0.00 0.00 56.01 55.97 3g2w n LEU 103 Cb 0.00 -0.13 0.62 0.00 -0.11 0.00 0.00 43.42 43.79 3g2w n LEU 103 CO 0.00 0.13 0.84 0.61 -1.51 0.00 0.00 177.39 177.45 3g2w n GLY 104 N 1.45 -0.76 0.09 -0.72 0.00 0.68 -2.38 105.19 103.55 3g2w n GLY 104 Ca 0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 3g2w n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3g2w h SER 105 N 0.00 0.00 -0.31 1.61 0.02 -1.76 -3.34 113.55 109.77 3g2w h SER 105 Ca 0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 3g2w h SER 105 Cb 0.05 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.48 3g2w h SER 105 CO 0.00 0.83 -0.22 -2.11 -1.14 0.00 0.00 176.83 174.19 3g2w n ARG 106 N -3.06 1.93 -4.27 3.45 1.85 -1.00 -4.98 116.66 110.56 3g2w n ARG 106 Ca -0.10 -3.31 -0.23 0.00 -1.00 0.00 0.00 57.85 53.21 3g2w n ARG 106 Cb 0.94 -1.82 -0.12 0.00 -1.05 0.00 0.00 32.46 30.41 3g2w n ARG 106 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3g2w s THR 107 N -3.40 1.60 0.71 8.89 2.01 -1.22 -5.01 115.64 119.22 3g2w s THR 107 Ca 0.44 -1.49 -0.11 0.00 0.31 0.00 0.00 61.69 60.84 3g2w s THR 107 Cb 0.40 -1.46 0.02 0.00 0.01 0.00 0.00 72.50 71.47 3g2w s THR 107 CO -0.02 -0.09 1.08 -0.94 -0.69 0.00 0.00 174.62 173.96 3g2w s SER 108 N -1.86 5.31 0.22 3.53 1.04 -1.26 -4.93 113.70 115.76 3g2w s SER 108 Ca 0.05 1.35 -0.01 0.00 0.48 0.00 0.00 55.95 57.82 3g2w s SER 108 Cb -0.10 -2.19 0.22 0.00 0.10 0.00 0.00 66.02 64.05 3g2w s SER 108 CO 0.04 -1.45 1.59 -0.08 0.98 0.00 0.00 173.24 174.31 3g2w h GLU 109 N -0.73 0.52 0.27 4.02 4.57 -1.98 -1.51 114.58 119.75 3g2w h GLU 109 Ca -0.45 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 57.45 3g2w h GLU 109 Cb 1.24 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 3g2w h GLU 109 CO 0.61 0.86 -0.24 -0.22 -1.18 0.00 0.00 179.01 178.84 3g2w h LYS 110 N 0.42 -0.48 -0.61 1.92 3.64 -1.98 0.83 116.57 120.30 3g2w h LYS 110 Ca 0.03 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.56 3g2w h LYS 110 Cb 0.94 0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 32.75 3g2w h LYS 110 CO 0.08 -0.32 -0.21 0.28 -2.27 0.00 0.00 179.45 177.01 3g2w h VAL 111 N -0.50 0.31 -0.60 2.00 2.07 -1.96 -2.05 116.25 115.52 3g2w h VAL 111 Ca -0.04 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 3g2w h VAL 111 Cb 0.42 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3g2w h VAL 111 CO -0.01 0.00 0.21 0.11 0.02 0.00 0.00 177.57 177.90 3g2w h LYS 112 N -0.06 0.91 -0.48 1.57 1.57 -1.07 -2.68 116.57 116.34 3g2w h LYS 112 Ca 0.28 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3g2w h LYS 112 Cb 0.49 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3g2w h LYS 112 CO -0.66 0.80 0.03 -0.91 -0.57 0.00 0.00 179.45 178.14 3g2w h ASN 113 N 0.84 0.73 -0.52 0.86 -0.26 0.93 -2.22 115.58 115.94 3g2w h ASN 113 Ca 0.20 -0.16 -0.10 0.00 -0.56 0.00 0.00 56.30 55.67 3g2w h ASN 113 Cb 0.25 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.30 3g2w h ASN 113 CO -0.01 0.79 -0.07 0.50 -1.06 0.00 0.00 177.43 177.58 3g2w h LYS 114 N 0.73 0.96 -0.24 0.81 1.63 -1.22 0.00 116.57 119.24 3g2w h LYS 114 Ca 0.15 -0.34 0.06 0.00 -0.85 0.00 0.00 60.65 59.67 3g2w h LYS 114 Cb 0.41 -0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 31.90 3g2w h LYS 114 CO 0.01 1.01 -0.22 0.82 -3.45 0.00 0.00 179.45 177.63 3g2w h ILE 115 N 0.83 0.44 -0.35 2.00 2.04 -1.29 -0.06 117.51 121.11 3g2w h ILE 115 Ca 0.14 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 3g2w h ILE 115 Cb 0.62 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3g2w h ILE 115 CO 0.04 0.00 0.19 -0.07 0.00 0.00 0.00 178.15 178.31 3g2w h LEU 116 N -0.22 0.44 -0.43 1.44 3.38 -0.87 -1.13 115.31 117.93 3g2w h LEU 116 Ca 0.14 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.08 3g2w h LEU 116 Cb 0.43 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.97 3g2w h LEU 116 CO -0.37 0.41 -0.42 -0.33 0.09 0.00 0.00 178.44 177.82 3g2w h GLU 117 N 0.44 -0.29 -0.48 1.13 5.08 -0.88 -2.08 114.58 117.49 3g2w h GLU 117 Ca 0.12 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 3g2w h GLU 117 Cb 0.07 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 3g2w h GLU 117 CO -0.02 -0.20 0.22 -0.07 -1.00 0.00 0.00 179.01 177.94 3g2w h LEU 118 N -0.31 0.29 0.02 1.33 3.38 -0.36 -2.20 115.31 117.47 3g2w h LEU 118 Ca 0.15 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.18 3g2w h LEU 118 Cb 0.58 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 3g2w h LEU 118 CO -0.59 0.20 -0.23 -0.07 0.09 0.00 0.00 178.44 177.85 3g2w h LEU 119 N 0.43 -0.66 -0.48 1.67 3.38 -1.10 -2.51 115.31 116.04 3g2w h LEU 119 Ca 0.22 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.32 3g2w h LEU 119 Cb 0.16 0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 3g2w h LEU 119 CO -0.18 -0.30 0.23 0.22 0.09 0.00 0.00 178.44 178.50 3g2w h TYR 120 N -0.37 0.41 -0.25 1.13 3.20 -1.29 -1.85 116.97 117.96 3g2w h TYR 120 Ca 0.05 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.02 3g2w h TYR 120 Cb 0.44 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3g2w h TYR 120 CO -0.26 0.19 0.18 0.66 -1.64 0.00 0.00 178.16 177.30 3g2w h SER 121 N 0.45 0.00 0.43 -2.11 4.64 -1.09 -2.36 113.55 113.51 3g2w h SER 121 Ca 0.22 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.23 3g2w h SER 121 Cb 0.15 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3g2w h SER 121 CO -0.17 0.00 -1.44 -0.50 -0.87 0.00 0.00 176.83 173.85 3g2w h TRP 122 N 0.00 0.65 -0.68 4.77 6.55 -0.98 0.61 115.95 126.88 3g2w h TRP 122 Ca 0.12 -0.48 0.18 0.00 0.95 0.00 0.00 58.89 59.66 3g2w h TRP 122 Cb 0.48 -0.03 -0.03 0.00 -0.86 0.00 0.00 29.16 28.72 3g2w h TRP 122 CO 0.00 1.43 0.48 1.79 -1.05 0.00 0.00 178.44 181.09 3g2w h THR 123 N 0.10 0.70 0.01 1.49 1.35 -0.87 0.65 112.91 116.34 3g2w h THR 123 Ca -0.22 -0.04 -0.28 0.00 -0.55 0.00 0.00 66.41 65.32 3g2w h THR 123 Cb 2.06 0.58 -0.04 0.00 -1.73 0.00 0.00 68.15 69.02 3g2w h THR 123 CO 0.21 0.02 -1.54 0.52 -0.25 0.00 0.00 175.52 174.49 3g2w n VAL 124 N -4.38 1.55 -0.13 6.82 0.31 -0.93 -4.03 118.33 117.53 3g2w n VAL 124 Ca 0.13 -0.14 -0.09 0.00 -0.01 0.00 0.00 64.34 64.23 3g2w n VAL 124 Cb 0.67 -1.98 -0.01 0.00 -0.91 0.00 0.00 33.84 31.61 3g2w n VAL 124 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3g2w h GLY 125 N -0.79 0.62 -6.15 2.92 0.00 0.49 -3.39 103.07 96.77 3g2w h GLY 125 Ca -0.41 -0.32 -0.57 0.00 0.00 0.00 0.00 47.33 46.02 3g2w h GLY 125 CO -0.22 0.30 -0.98 1.04 0.00 0.00 0.00 176.54 176.69 3g2w n LEU 126 N -4.68 0.76 0.00 3.11 4.77 0.22 -4.94 117.00 116.25 3g2w n LEU 126 Ca -0.00 -4.78 0.13 0.00 -0.03 0.00 0.00 56.01 51.33 3g2w n LEU 126 Cb 0.13 0.35 0.66 0.00 -2.33 0.00 0.00 43.42 42.22 3g2w n LEU 126 CO 0.37 2.01 0.94 -0.81 -1.33 0.00 0.00 177.39 178.57 3g2w n PRO 127 N 1.61 0.35 0.11 3.23 -0.04 -1.25 -1.50 135.00 137.51 3g2w n PRO 127 Ca 0.24 0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.87 3g2w n PRO 127 Cb 0.49 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.83 3g2w n PRO 127 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3g2w n GLU 128 N -1.30 0.28 -1.71 0.54 1.02 -1.26 -4.07 120.64 114.13 3g2w n GLU 128 Ca 0.12 0.21 -0.42 0.00 -0.02 0.00 0.00 57.16 57.05 3g2w n GLU 128 Cb 0.21 -1.81 -0.00 0.00 -0.02 0.00 0.00 31.44 29.83 3g2w n GLU 128 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3g2w n GLU 129 N -2.28 2.90 0.16 3.49 -0.58 -0.56 -4.78 120.64 118.99 3g2w n GLU 129 Ca 0.05 -2.59 0.13 0.00 -0.42 0.00 0.00 57.16 54.33 3g2w n GLU 129 Cb 0.44 -3.26 0.56 0.00 -0.57 0.00 0.00 31.44 28.60 3g2w n GLU 129 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 3g2w h VAL 130 N 3.95 0.00 0.00 2.62 -1.51 -1.84 -1.08 116.25 118.40 3g2w h VAL 130 Ca 0.58 -0.20 -0.22 0.00 -1.23 0.00 0.00 66.70 65.63 3g2w h VAL 130 Cb 0.62 0.91 -0.04 0.00 -2.13 0.00 0.00 31.29 30.66 3g2w h VAL 130 CO 1.88 0.00 -1.30 0.11 -1.23 0.00 0.00 177.57 177.03 3g2w h LYS 131 N 0.00 0.00 -0.40 5.19 1.57 -1.86 -2.70 116.57 118.37 3g2w h LYS 131 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3g2w h LYS 131 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3g2w h LYS 131 CO 0.00 0.61 0.18 0.82 -0.57 0.00 0.00 179.45 180.50 3g2w h ILE 132 N 0.00 1.18 -0.58 1.86 2.04 -1.47 0.48 117.51 121.02 3g2w h ILE 132 Ca -0.15 -0.52 0.08 0.00 1.00 0.00 0.00 64.86 65.28 3g2w h ILE 132 Cb 1.79 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 3g2w h ILE 132 CO 0.09 0.19 0.39 0.00 0.00 0.00 0.00 178.15 178.82 3g2w h ALA 133 N 1.03 1.97 -0.07 1.87 0.00 -1.57 -1.62 119.26 120.87 3g2w h ALA 133 Ca 0.14 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 3g2w h ALA 133 Cb 0.14 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.84 3g2w h ALA 133 CO -0.02 -0.08 -0.76 1.49 0.00 0.00 0.00 179.25 179.88 3g2w h GLU 134 N 0.44 0.63 -0.36 0.00 4.81 -1.03 -0.91 114.58 118.16 3g2w h GLU 134 Ca 0.26 -0.59 0.04 0.00 -0.13 0.00 0.00 59.36 58.95 3g2w h GLU 134 Cb 0.46 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 3g2w h GLU 134 CO -0.07 1.20 0.11 0.00 -0.73 0.00 0.00 179.01 179.52 3g2w h ALA 135 N 0.44 0.40 -0.50 2.92 0.00 -0.66 -2.83 119.26 119.03 3g2w h ALA 135 Ca -0.08 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3g2w h ALA 135 Cb 1.41 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 3g2w h ALA 135 CO 0.15 -0.29 -0.07 -0.92 0.00 0.00 0.00 179.25 178.13 3g2w h TYR 136 N 0.25 1.03 -0.08 0.00 3.20 -1.14 -1.94 116.97 118.30 3g2w h TYR 136 Ca 0.16 -0.20 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 3g2w h TYR 136 Cb 0.15 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 3g2w h TYR 136 CO -0.15 0.98 -0.18 -0.56 -1.64 0.00 0.00 178.16 176.61 3g2w h GLN 137 N 0.79 0.13 0.00 1.82 -0.00 -1.14 -2.62 115.11 114.09 3g2w h GLN 137 Ca 0.13 -0.03 -0.18 0.00 -0.00 0.00 0.00 58.65 58.57 3g2w h GLN 137 Cb 0.61 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.48 28.05 3g2w h GLN 137 CO 0.04 0.31 -1.07 1.98 -0.00 0.00 0.00 178.83 180.08 3g2w h MET 138 N 0.12 0.00 0.38 0.06 4.05 -1.11 0.58 114.93 119.00 3g2w h MET 138 Ca 0.02 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 3g2w h MET 138 Cb 0.39 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.19 3g2w h MET 138 CO 0.03 0.58 -0.18 -0.07 0.23 0.00 0.00 176.91 177.50 3g2w h LEU 139 N 0.00 -0.43 -0.57 3.39 3.38 -1.31 -3.13 115.31 116.64 3g2w h LEU 139 Ca -0.09 0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.08 3g2w h LEU 139 Cb 1.65 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 42.40 3g2w h LEU 139 CO 0.08 -0.15 0.13 1.17 0.09 0.00 0.00 178.44 179.75 3g2w n LYS 140 N -4.22 -0.04 0.00 1.13 4.81 -1.00 0.28 118.16 119.13 3g2w n LYS 140 Ca -0.06 0.83 0.07 0.00 -0.87 0.00 0.00 58.31 58.27 3g2w n LYS 140 Cb 0.20 -1.38 0.37 0.00 0.02 0.00 0.00 35.03 34.24 3g2w n LYS 140 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3g2w n LYS 141 N -4.55 0.31 0.00 1.64 4.81 0.19 -2.08 118.16 118.49 3g2w n LYS 141 Ca 0.17 0.08 0.01 0.00 -0.87 0.00 0.00 58.31 57.70 3g2w n LYS 141 Cb 0.56 -1.50 -0.00 0.00 0.02 0.00 0.00 35.03 34.11 3g2w n LYS 141 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3g2w n GLN 142 N -1.15 2.76 -2.09 1.64 6.02 0.81 -4.99 117.38 120.39 3g2w n GLN 142 Ca 0.08 -0.30 -0.09 0.00 -0.01 0.00 0.00 57.00 56.68 3g2w n GLN 142 Cb 0.08 -0.80 -0.01 0.00 1.02 0.00 0.00 30.24 30.53 3g2w n GLN 142 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g2w n GLY 143 N 0.54 0.09 0.11 1.08 0.00 -0.86 -4.91 105.19 101.23 3g2w n GLY 143 Ca 0.01 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 3g2w n GLY 143 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3g2w h ILE 144 N 0.00 1.30 -0.01 -0.61 2.04 -1.77 -3.49 117.51 114.98 3g2w h ILE 144 Ca -0.22 -2.91 0.00 0.00 1.00 0.00 0.00 64.86 62.74 3g2w h ILE 144 Cb 1.11 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 40.03 3g2w h ILE 144 CO 0.26 0.85 0.00 0.52 0.00 0.00 0.00 178.15 179.78