#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g2u s GLU 8 N 0.00 4.50 0.71 0.54 2.02 -1.26 -5.07 118.70 120.14 3g2u s GLU 8 Ca 0.00 1.14 -0.12 0.00 0.02 0.00 0.00 54.97 56.01 3g2u s GLU 8 Cb 0.00 -3.01 0.02 0.00 0.10 0.00 0.00 34.13 31.24 3g2u s GLU 8 CO 0.00 0.43 1.08 0.95 0.02 0.00 0.00 175.26 177.74 3g2u s THR 9 N -1.40 3.57 0.29 3.63 -4.23 -1.26 -4.82 115.64 111.42 3g2u s THR 9 Ca 0.43 0.58 0.03 0.00 -1.18 0.00 0.00 61.69 61.54 3g2u s THR 9 Cb -0.20 -3.15 0.27 0.00 1.34 0.00 0.00 72.50 70.77 3g2u s THR 9 CO 0.24 -0.60 1.75 -0.07 -0.54 0.00 0.00 174.62 175.41 3g2u h LEU 10 N -0.59 0.59 0.03 4.79 4.07 -1.95 -0.50 115.31 121.75 3g2u h LEU 10 Ca -0.45 0.11 -0.00 0.00 0.08 0.00 0.00 57.88 57.62 3g2u h LEU 10 Cb 1.23 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.98 3g2u h LEU 10 CO 0.54 0.19 -0.01 -0.33 -1.08 0.00 0.00 178.44 177.75 3g2u h GLU 11 N 0.63 -0.03 -0.64 1.13 3.07 -1.98 0.29 114.58 117.04 3g2u h GLU 11 Ca 0.53 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.33 3g2u h GLU 11 Cb 0.85 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.74 3g2u h GLU 11 CO -0.41 -0.01 0.16 0.00 -1.40 0.00 0.00 179.01 177.35 3g2u h ALA 12 N 0.93 0.84 0.81 3.43 0.00 -1.84 -0.12 119.26 123.30 3g2u h ALA 12 Ca -0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3g2u h ALA 12 Cb 0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3g2u h ALA 12 CO 0.01 0.55 -0.49 -0.09 0.00 0.00 0.00 179.25 179.22 3g2u h ARG 13 N 0.94 -1.18 -0.77 0.00 9.65 -0.87 -2.55 114.38 119.60 3g2u h ARG 13 Ca 0.20 0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 59.15 3g2u h ARG 13 Cb 0.36 0.27 -0.04 0.00 -1.39 0.00 0.00 29.97 29.17 3g2u h ARG 13 CO 0.00 -0.79 0.45 0.97 2.80 0.00 0.00 179.97 183.41 3g2u h ILE 14 N -1.22 1.22 -0.64 1.20 6.09 -0.34 -0.22 117.51 123.59 3g2u h ILE 14 Ca -0.11 -0.50 -0.02 0.00 -1.37 0.00 0.00 64.86 62.86 3g2u h ILE 14 Cb 0.98 0.15 -0.03 0.00 0.47 0.00 0.00 36.82 38.38 3g2u h ILE 14 CO 0.12 0.23 0.33 0.78 -3.07 0.00 0.00 178.15 176.54 3g2u h ASN 15 N 1.07 0.82 -0.35 2.19 2.35 -1.03 -1.45 115.58 119.18 3g2u h ASN 15 Ca 0.28 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 3g2u h ASN 15 Cb -0.02 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 3g2u h ASN 15 CO -0.05 0.70 0.04 0.03 -1.65 0.00 0.00 177.43 176.51 3g2u h ARG 16 N 0.88 0.59 0.00 0.81 3.08 -1.23 -2.01 114.38 116.50 3g2u h ARG 16 Ca 0.22 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3g2u h ARG 16 Cb 0.08 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3g2u h ARG 16 CO -0.03 0.67 0.00 0.00 -1.07 0.00 0.00 179.97 179.54 3g2u h ALA 17 N 0.89 1.00 0.00 0.04 0.00 -0.73 -3.12 119.26 117.34 3g2u h ALA 17 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3g2u h ALA 17 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3g2u h ALA 17 CO 0.01 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.51 3g2u n THR 18 N -2.89 0.38 -1.72 0.00 -2.24 -0.57 -4.74 114.28 102.50 3g2u n THR 18 Ca 0.00 -0.55 -0.62 0.00 -2.27 0.00 0.00 64.05 60.62 3g2u n THR 18 Cb 0.26 0.94 -0.08 0.00 -2.10 0.00 0.00 70.33 69.35 3g2u n THR 18 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3g2u n ASN 19 N -0.19 1.93 0.00 3.42 2.85 -0.76 -4.22 115.26 118.30 3g2u n ASN 19 Ca 0.00 1.11 0.03 0.00 -0.11 0.00 0.00 54.58 55.61 3g2u n ASN 19 Cb 0.20 -1.04 0.14 0.00 1.24 0.00 0.00 39.78 40.32 3g2u n ASN 19 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3g2u n PRO 20 N 4.92 0.09 0.00 1.20 -0.04 -1.26 -1.63 135.00 138.28 3g2u n PRO 20 Ca 0.29 0.19 0.13 0.00 -0.04 0.00 0.00 63.50 64.07 3g2u n PRO 20 Cb 0.06 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.47 3g2u n PRO 20 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3g2u n LEU 21 N -1.24 0.35 -4.71 1.53 4.77 -1.26 -4.90 117.00 111.55 3g2u n LEU 21 Ca 0.03 0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.74 3g2u n LEU 21 Cb 0.04 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 3g2u n LEU 21 CO 0.04 0.08 1.28 0.20 -1.33 0.00 0.00 177.39 177.66 3g2u s ASN 22 N -2.87 6.57 0.36 -1.43 0.01 -0.65 -4.89 114.94 112.04 3g2u s ASN 22 Ca 0.16 2.60 0.19 0.00 -0.71 0.00 0.00 52.86 55.11 3g2u s ASN 22 Cb 0.19 -2.58 0.22 0.00 0.41 0.00 0.00 41.25 39.48 3g2u s ASN 22 CO 0.59 -0.86 1.53 0.11 -1.51 0.00 0.00 177.10 176.96 3g2u h LYS 23 N 7.33 0.00 -3.61 -0.60 1.79 -1.91 -3.48 116.57 116.10 3g2u h LYS 23 Ca -0.43 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 57.99 3g2u h LYS 23 Cb 1.20 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.77 3g2u h LYS 23 CO 0.92 0.27 -0.09 -1.83 -1.08 0.00 0.00 179.45 177.65 3g2u s GLU 24 N -3.10 1.60 0.32 3.15 -1.05 -1.26 -5.15 118.70 113.22 3g2u s GLU 24 Ca 0.05 -1.26 -0.29 0.00 -0.15 0.00 0.00 54.97 53.33 3g2u s GLU 24 Cb 0.07 0.48 -0.10 0.00 -0.44 0.00 0.00 34.13 34.14 3g2u s GLU 24 CO 0.71 -0.67 1.33 -0.51 0.95 0.00 0.00 175.26 177.06 3g2u s LEU 25 N -3.02 4.42 -0.78 1.83 1.43 -1.26 -4.97 118.68 116.33 3g2u s LEU 25 Ca 0.22 2.70 -0.04 0.00 -1.03 0.00 0.00 54.13 55.98 3g2u s LEU 25 Cb -0.01 -3.65 0.20 0.00 0.03 0.00 0.00 46.19 42.76 3g2u s LEU 25 CO 0.09 -0.57 0.65 -0.62 0.23 0.00 0.00 176.35 176.13 3g2u s ASP 26 N -0.38 5.80 0.26 2.29 2.15 -1.26 -4.95 116.67 120.59 3g2u s ASP 26 Ca 0.50 -3.23 0.01 0.00 0.43 0.00 0.00 52.55 50.26 3g2u s ASP 26 Cb -0.40 -1.93 0.34 0.00 -0.30 0.00 0.00 42.92 40.63 3g2u s ASP 26 CO 0.52 -0.31 1.68 -0.50 -0.17 0.00 0.00 175.17 176.39 3g2u h TRP 27 N 6.67 0.58 -0.72 -5.34 4.06 -1.97 -0.54 115.95 118.68 3g2u h TRP 27 Ca 0.08 -0.14 0.13 0.00 2.06 0.00 0.00 58.89 61.02 3g2u h TRP 27 Cb 0.90 -0.14 -0.13 0.00 -1.00 0.00 0.00 29.16 28.79 3g2u h TRP 27 CO 0.76 0.75 -0.31 0.00 -3.56 0.00 0.00 178.44 176.09 3g2u h ALA 28 N 1.24 0.15 -0.11 1.49 0.00 -1.98 0.23 119.26 120.28 3g2u h ALA 28 Ca 0.06 0.22 -0.17 0.00 0.00 0.00 0.00 54.91 55.02 3g2u h ALA 28 Cb 0.75 0.78 0.01 0.00 0.00 0.00 0.00 17.79 19.32 3g2u h ALA 28 CO 0.06 -0.59 -0.60 0.77 0.00 0.00 0.00 179.25 178.88 3g2u h SER 29 N -0.09 0.72 0.41 0.00 0.02 -1.78 0.10 113.55 112.93 3g2u h SER 29 Ca 0.29 -0.65 -0.02 0.00 -0.84 0.00 0.00 61.79 60.58 3g2u h SER 29 Cb 0.57 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3g2u h SER 29 CO -0.78 1.25 -0.20 0.40 -1.14 0.00 0.00 176.83 176.37 3g2u h ILE 30 N 0.24 0.59 0.00 3.27 2.04 -1.01 -0.21 117.51 122.42 3g2u h ILE 30 Ca -0.04 -0.25 -0.12 0.00 1.00 0.00 0.00 64.86 65.45 3g2u h ILE 30 Cb 1.25 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 3g2u h ILE 30 CO 0.12 0.05 -0.55 0.78 0.00 0.00 0.00 178.15 178.55 3g2u h ASN 31 N -0.70 0.00 -0.65 1.72 2.35 -0.61 -2.94 115.58 114.75 3g2u h ASN 31 Ca -0.06 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 3g2u h ASN 31 Cb 0.50 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 3g2u h ASN 31 CO 0.09 0.55 0.17 1.23 -1.65 0.00 0.00 177.43 177.82 3g2u h GLY 32 N 1.66 1.13 0.48 2.83 0.00 -0.74 -0.90 103.07 107.53 3g2u h GLY 32 Ca -0.01 -0.68 0.04 0.00 0.00 0.00 0.00 47.33 46.68 3g2u h GLY 32 CO 0.07 0.64 -0.14 -2.75 0.00 0.00 0.00 176.54 174.36 3g2u h PHE 33 N 1.00 -0.35 -0.15 5.60 3.04 -0.86 -1.17 116.94 124.06 3g2u h PHE 33 Ca 0.21 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.19 3g2u h PHE 33 Cb 0.34 0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.02 3g2u h PHE 33 CO 0.02 -0.20 0.10 0.00 -2.02 0.00 0.00 178.31 176.20 3g2u h GLU 35 N 0.19 0.64 0.09 0.00 4.22 -1.08 -2.76 114.58 115.88 3g2u h GLU 35 Ca 0.05 -0.04 -0.26 0.00 0.08 0.00 0.00 59.36 59.19 3g2u h GLU 35 Cb -0.01 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3g2u h GLU 35 CO -0.01 0.42 -1.23 0.37 -2.18 0.00 0.00 179.01 176.38 3g2u h GLN 36 N 0.66 0.20 0.00 1.92 5.75 -0.69 -2.58 115.11 120.36 3g2u h GLN 36 Ca 0.54 -0.33 -0.14 0.00 -0.15 0.00 0.00 58.65 58.56 3g2u h GLN 36 Cb 0.97 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.63 3g2u h GLN 36 CO -0.30 1.13 -0.68 1.37 -2.65 0.00 0.00 178.83 177.71 3g2u h LEU 37 N 0.05 0.00 -0.71 -2.39 8.10 -1.31 -2.14 115.31 116.90 3g2u h LEU 37 Ca -0.12 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.74 3g2u h LEU 37 Cb 1.93 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 42.13 3g2u h LEU 37 CO 0.18 0.68 -0.63 -1.13 -4.11 0.00 0.00 178.44 173.42 3g2u h ASN 38 N 0.00 0.00 0.26 0.17 -1.24 -1.50 -3.24 115.58 110.04 3g2u h ASN 38 Ca -0.01 0.00 -0.27 0.00 0.71 0.00 0.00 56.30 56.73 3g2u h ASN 38 Cb 1.30 0.00 0.02 0.00 0.73 0.00 0.00 38.32 40.37 3g2u h ASN 38 CO 0.09 0.63 -1.14 -0.08 -1.29 0.00 0.00 177.43 175.64 3g2u h GLU 39 N 0.00 0.51 -6.14 6.67 4.81 -1.07 -3.46 114.58 115.91 3g2u h GLU 39 Ca -0.01 -0.65 -0.56 0.00 -0.13 0.00 0.00 59.36 58.01 3g2u h GLU 39 Cb 1.13 0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.68 3g2u h GLU 39 CO 0.08 1.27 0.05 -0.51 -0.73 0.00 0.00 179.01 179.17 3g2u s ASP 40 N -7.27 7.04 0.15 1.04 -0.00 -0.84 -4.99 116.67 111.80 3g2u s ASP 40 Ca -0.07 1.25 -0.32 0.00 -0.00 0.00 0.00 52.55 53.40 3g2u s ASP 40 Cb 0.07 -2.40 -0.08 0.00 -0.00 0.00 0.00 42.92 40.50 3g2u s ASP 40 CO 0.91 0.05 1.54 0.15 -0.00 0.00 0.00 175.17 177.82 3g2u h PHE 41 N 5.79 -1.80 -0.78 4.23 -0.00 -1.89 -1.99 116.94 120.50 3g2u h PHE 41 Ca -0.44 0.11 -0.27 0.00 -0.00 0.00 0.00 57.97 57.37 3g2u h PHE 41 Cb 1.20 0.88 -0.16 0.00 -0.00 0.00 0.00 35.95 37.87 3g2u h PHE 41 CO 0.65 -0.43 0.33 0.39 -0.00 0.00 0.00 178.31 179.26 3g2u n GLU 42 N -5.31 3.50 -0.04 1.11 1.02 -1.26 -4.63 120.64 115.03 3g2u n GLU 42 Ca -0.01 -3.09 -0.15 0.00 -0.02 0.00 0.00 57.16 53.90 3g2u n GLU 42 Cb 0.30 -2.22 -0.10 0.00 -0.02 0.00 0.00 31.44 29.41 3g2u n GLU 42 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3g2u h GLY 43 N 2.41 -1.09 1.02 0.62 0.00 -1.52 -3.12 103.07 101.39 3g2u h GLY 43 Ca 0.33 0.69 -0.03 0.00 0.00 0.00 0.00 47.33 48.32 3g2u h GLY 43 CO 0.80 -0.19 0.32 -2.55 0.00 0.00 0.00 176.54 174.93 3g2u h PRO 44 N -0.53 1.04 -0.33 4.80 0.11 -1.78 -1.00 132.00 134.32 3g2u h PRO 44 Ca 0.04 -0.17 -0.13 0.00 0.11 0.00 0.00 66.00 65.85 3g2u h PRO 44 Cb 0.65 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 3g2u h PRO 44 CO -0.47 0.83 -0.33 -1.35 -0.21 0.00 0.00 178.00 176.48 3g2u h PRO 45 N 1.00 0.71 -0.34 1.05 0.11 -1.92 -2.46 132.00 130.15 3g2u h PRO 45 Ca 0.24 -0.33 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 3g2u h PRO 45 Cb 0.15 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3g2u h PRO 45 CO -0.03 0.94 0.11 1.25 -0.21 0.00 0.00 178.00 180.06 3g2u h LEU 46 N 0.60 0.50 -0.61 2.35 5.85 -1.45 -2.67 115.31 119.88 3g2u h LEU 46 Ca 0.07 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.64 3g2u h LEU 46 Cb 0.84 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 3g2u h LEU 46 CO 0.07 0.57 0.33 0.00 -0.34 0.00 0.00 178.44 179.07 3g2u h ALA 47 N 0.95 0.81 -0.63 1.25 0.00 -1.13 -0.50 119.26 120.01 3g2u h ALA 47 Ca 0.11 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3g2u h ALA 47 Cb 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3g2u h ALA 47 CO -0.00 -0.01 0.05 0.00 0.00 0.00 0.00 179.25 179.29 3g2u h THR 48 N 0.61 1.26 -0.39 0.00 1.03 -1.46 0.43 112.91 114.40 3g2u h THR 48 Ca 0.27 -1.09 -0.03 0.00 -0.01 0.00 0.00 66.41 65.56 3g2u h THR 48 Cb 0.17 0.72 -0.02 0.00 -1.07 0.00 0.00 68.15 67.96 3g2u h THR 48 CO -0.18 0.40 0.14 -0.09 -0.01 0.00 0.00 175.52 175.78 3g2u h ARG 49 N 0.98 0.59 -0.39 0.00 2.43 -1.01 -1.97 114.38 115.02 3g2u h ARG 49 Ca 0.19 -0.12 -0.13 0.00 -0.81 0.00 0.00 59.98 59.10 3g2u h ARG 49 Cb 0.50 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3g2u h ARG 49 CO 0.02 0.58 -0.28 -0.07 -1.51 0.00 0.00 179.97 178.71 3g2u h LEU 50 N 0.48 0.86 -0.10 3.80 3.38 -0.87 -3.09 115.31 119.77 3g2u h LEU 50 Ca 0.13 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3g2u h LEU 50 Cb 0.23 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3g2u h LEU 50 CO -0.01 1.08 0.04 -0.07 0.09 0.00 0.00 178.44 179.57 3g2u h LEU 51 N 0.71 0.15 -0.53 1.67 3.38 -0.83 -2.78 115.31 117.07 3g2u h LEU 51 Ca 0.08 -0.19 0.10 0.00 0.09 0.00 0.00 57.88 57.97 3g2u h LEU 51 Cb 0.83 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 3g2u h LEU 51 CO 0.07 0.29 0.05 0.00 0.09 0.00 0.00 178.44 178.95 3g2u h ALA 52 N 0.86 0.56 -0.14 1.53 0.00 -1.32 -0.29 119.26 120.46 3g2u h ALA 52 Ca 0.03 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3g2u h ALA 52 Cb 0.20 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3g2u h ALA 52 CO -0.00 -0.35 0.08 1.25 0.00 0.00 0.00 179.25 180.23 3g2u h HIS 53 N 0.18 0.19 -0.98 0.00 -0.00 -1.50 -2.24 115.15 110.80 3g2u h HIS 53 Ca 0.27 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.65 3g2u h HIS 53 Cb 0.41 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 27.71 3g2u h HIS 53 CO -0.28 0.18 0.64 0.87 -0.00 0.00 0.00 177.93 179.34 3g2u h LYS 54 N 0.15 1.29 0.00 5.26 1.79 -1.16 -2.01 116.57 121.88 3g2u h LYS 54 Ca 0.05 -0.08 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 3g2u h LYS 54 Cb 0.05 -0.29 -0.01 0.00 -1.58 0.00 0.00 32.23 30.40 3g2u h LYS 54 CO -0.01 0.86 -0.18 0.82 -1.08 0.00 0.00 179.45 179.86 3g2u h ILE 55 N 1.33 0.55 -0.36 1.86 2.04 -0.82 -2.20 117.51 119.91 3g2u h ILE 55 Ca 0.36 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.33 3g2u h ILE 55 Cb -0.14 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3g2u h ILE 55 CO -0.08 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.25 3g2u n GLN 56 N -3.48 1.99 -1.92 2.37 6.02 -0.76 -4.79 117.38 116.80 3g2u n GLN 56 Ca -0.01 -1.51 -0.41 0.00 -0.01 0.00 0.00 57.00 55.06 3g2u n GLN 56 Cb 0.35 -1.37 -0.02 0.00 1.02 0.00 0.00 30.24 30.22 3g2u n GLN 56 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3g2u s SER 57 N -1.21 6.53 0.45 1.08 0.15 -0.83 -4.90 113.70 114.97 3g2u s SER 57 Ca 0.31 2.84 0.31 0.00 0.70 0.00 0.00 55.95 60.11 3g2u s SER 57 Cb 0.17 -2.64 1.42 0.00 -1.71 0.00 0.00 66.02 63.25 3g2u s SER 57 CO 0.23 -0.76 1.93 -0.65 1.20 0.00 0.00 173.24 175.19 3g2u h PRO 58 N 4.12 0.00 -5.75 5.44 0.11 -1.92 -3.40 132.00 130.59 3g2u h PRO 58 Ca -0.48 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.00 3g2u h PRO 58 Cb 1.23 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.20 3g2u h PRO 58 CO 0.72 0.00 0.39 -0.65 -0.21 0.00 0.00 178.00 178.25 3g2u s GLN 59 N -3.63 3.36 0.32 1.05 -0.21 -1.26 -4.96 119.66 114.33 3g2u s GLN 59 Ca 0.01 -0.21 0.02 0.00 0.02 0.00 0.00 55.36 55.19 3g2u s GLN 59 Cb 0.09 -3.98 0.58 0.00 1.00 0.00 0.00 33.01 30.70 3g2u s GLN 59 CO 0.43 -1.23 1.93 1.49 -2.12 0.00 0.00 175.29 175.79 3g2u h GLU 60 N 9.08 0.94 0.00 2.91 4.81 -1.99 -2.16 114.58 128.17 3g2u h GLU 60 Ca -0.25 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 58.73 3g2u h GLU 60 Cb 1.08 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 3g2u h GLU 60 CO 1.00 0.62 -0.87 2.35 -0.73 0.00 0.00 179.01 181.38 3g2u h TRP 61 N 0.97 0.20 0.13 0.92 -0.00 -1.94 0.34 115.95 116.57 3g2u h TRP 61 Ca 0.36 -0.11 -0.00 0.00 -0.00 0.00 0.00 58.89 59.13 3g2u h TRP 61 Cb 0.17 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 29.30 3g2u h TRP 61 CO -0.00 0.93 -0.10 1.49 -0.00 0.00 0.00 178.44 180.77 3g2u h GLU 62 N 0.07 -0.22 -0.74 2.65 4.81 -1.62 -1.55 114.58 117.98 3g2u h GLU 62 Ca -0.03 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3g2u h GLU 62 Cb 1.50 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.90 3g2u h GLU 62 CO 0.13 -0.15 0.27 0.00 -0.73 0.00 0.00 179.01 178.53 3g2u h ALA 63 N 0.63 0.97 -0.41 2.92 0.00 -0.93 -2.08 119.26 120.37 3g2u h ALA 63 Ca -0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 3g2u h ALA 63 Cb 0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3g2u h ALA 63 CO -0.01 0.62 -0.12 0.82 0.00 0.00 0.00 179.25 180.56 3g2u h ILE 64 N 1.09 1.28 -0.84 0.00 1.08 -0.32 -1.36 117.51 118.44 3g2u h ILE 64 Ca 0.24 -1.23 -0.02 0.00 -0.39 0.00 0.00 64.86 63.46 3g2u h ILE 64 Cb 0.25 1.22 -0.04 0.00 -3.07 0.00 0.00 36.82 35.19 3g2u h ILE 64 CO -0.01 0.41 0.44 1.56 -0.69 0.00 0.00 178.15 179.86 3g2u h GLN 65 N 0.62 1.17 -0.57 2.37 4.20 -1.30 -2.28 115.11 119.33 3g2u h GLN 65 Ca 0.10 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3g2u h GLN 65 Cb 0.66 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 3g2u h GLN 65 CO 0.05 0.87 0.29 0.00 -0.67 0.00 0.00 178.83 179.37 3g2u h ALA 66 N 1.24 0.73 -0.45 3.87 0.00 -0.81 -1.52 119.26 122.31 3g2u h ALA 66 Ca 0.29 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3g2u h ALA 66 Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3g2u h ALA 66 CO -0.04 0.28 0.30 -0.07 0.00 0.00 0.00 179.25 179.72 3g2u h LEU 67 N 0.77 0.51 -0.57 0.00 3.38 -1.11 -0.66 115.31 117.63 3g2u h LEU 67 Ca 0.20 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 3g2u h LEU 67 Cb 0.09 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3g2u h LEU 67 CO -0.03 0.37 -0.05 0.74 0.09 0.00 0.00 178.44 179.56 3g2u h THR 68 N 0.60 1.27 0.35 0.22 2.02 -0.94 -0.56 112.91 115.87 3g2u h THR 68 Ca 0.17 -1.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.13 3g2u h THR 68 Cb -0.06 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3g2u h THR 68 CO -0.04 0.43 -0.17 0.58 0.37 0.00 0.00 175.52 176.69 3g2u h VAL 69 N 0.92 0.66 -0.30 3.16 2.07 -1.06 -0.57 116.25 121.13 3g2u h VAL 69 Ca 0.15 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.66 3g2u h VAL 69 Cb 0.62 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 31.00 3g2u h VAL 69 CO 0.04 0.01 -0.48 0.25 0.02 0.00 0.00 177.57 177.42 3g2u h LEU 70 N -0.51 -1.56 -0.46 2.57 5.85 -1.08 -1.48 115.31 118.63 3g2u h LEU 70 Ca -0.05 0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.98 3g2u h LEU 70 Cb 0.39 0.65 -0.10 0.00 0.37 0.00 0.00 40.66 41.97 3g2u h LEU 70 CO 0.08 -0.41 -0.25 -0.08 -0.34 0.00 0.00 178.44 177.44 3g2u h GLU 71 N -0.43 -0.15 -0.18 1.25 4.81 -1.11 -1.03 114.58 117.75 3g2u h GLU 71 Ca 0.09 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 3g2u h GLU 71 Cb 0.62 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.99 3g2u h GLU 71 CO -0.52 -0.10 -0.10 1.15 -0.73 0.00 0.00 179.01 178.71 3g2u h THR 72 N -0.15 0.69 0.00 0.32 2.02 -0.75 -2.15 112.91 112.88 3g2u h THR 72 Ca 0.21 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.30 3g2u h THR 72 Cb 0.49 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3g2u h THR 72 CO -0.55 0.00 -0.45 0.00 0.37 0.00 0.00 175.52 174.89 3g2u h MET 74 N 0.00 0.96 -0.47 0.00 2.07 -0.95 -1.06 114.93 115.48 3g2u h MET 74 Ca -0.00 -0.40 -0.12 0.00 -2.07 0.00 0.00 59.70 57.11 3g2u h MET 74 Cb 1.06 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 30.73 3g2u h MET 74 CO 0.06 1.06 -0.17 0.87 1.07 0.00 0.00 176.91 179.80 3g2u h LYS 75 N 0.84 0.92 0.02 1.72 1.57 -1.19 -3.36 116.57 117.08 3g2u h LYS 75 Ca 0.11 -0.36 -0.34 0.00 -1.87 0.00 0.00 60.65 58.20 3g2u h LYS 75 Cb 0.76 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.97 3g2u h LYS 75 CO 0.06 1.01 -2.08 -1.13 -0.57 0.00 0.00 179.45 176.75 3g2u n SER 76 N -4.13 0.86 -2.55 0.86 3.41 -0.72 -4.99 113.62 106.37 3g2u n SER 76 Ca 0.01 0.18 -0.06 0.00 -0.26 0.00 0.00 58.87 58.74 3g2u n SER 76 Cb 0.42 0.17 0.03 0.00 -0.26 0.00 0.00 64.21 64.57 3g2u n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g2u n GLY 78 N 3.21 3.11 0.02 0.00 0.00 -1.26 -4.90 105.19 105.36 3g2u n GLY 78 Ca 0.04 -1.38 -0.02 0.00 0.00 0.00 0.00 46.02 44.65 3g2u n GLY 78 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3g2u n LYS 79 N 1.05 2.26 -0.21 1.61 4.81 -1.26 -4.83 118.16 121.59 3g2u n LYS 79 Ca 0.00 0.01 -0.02 0.00 -0.87 0.00 0.00 58.31 57.43 3g2u n LYS 79 Cb 0.00 -1.10 0.09 0.00 0.02 0.00 0.00 35.03 34.04 3g2u n LYS 79 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3g2u h ARG 80 N 0.00 0.57 -0.03 1.64 3.08 -1.99 0.70 114.38 118.36 3g2u h ARG 80 Ca -0.10 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 3g2u h ARG 80 Cb 1.21 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 3g2u h ARG 80 CO -0.00 0.38 -0.04 0.35 -1.07 0.00 0.00 179.97 179.59 3g2u h PHE 81 N 0.59 0.08 -1.02 3.04 3.57 -1.94 -2.18 116.94 119.09 3g2u h PHE 81 Ca 0.28 -0.03 0.26 0.00 3.53 0.00 0.00 57.97 62.01 3g2u h PHE 81 Cb 0.21 -0.02 -0.12 0.00 2.79 0.00 0.00 35.95 38.82 3g2u h PHE 81 CO -0.10 0.58 0.62 0.45 -2.23 0.00 0.00 178.31 177.63 3g2u h HIS 82 N -0.43 0.91 -0.14 0.41 3.86 -1.85 -2.00 115.15 115.91 3g2u h HIS 82 Ca 0.00 0.03 -0.22 0.00 -1.16 0.00 0.00 60.37 59.03 3g2u h HIS 82 Cb 0.57 -0.26 0.01 0.00 1.06 0.00 0.00 27.41 28.79 3g2u h HIS 82 CO 0.11 0.05 -0.77 -0.44 0.86 0.00 0.00 177.93 177.73 3g2u h ASP 83 N 0.51 0.85 -0.71 2.45 3.45 -0.68 -1.20 116.42 121.09 3g2u h ASP 83 Ca 0.64 -0.56 -0.05 0.00 0.43 0.00 0.00 57.03 57.49 3g2u h ASP 83 Cb 1.35 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 39.84 3g2u h ASP 83 CO -0.43 1.35 0.24 -0.33 -1.57 0.00 0.00 179.24 178.49 3g2u h GLU 84 N 0.48 1.10 0.00 3.56 4.39 -0.95 -2.92 114.58 120.24 3g2u h GLU 84 Ca -0.05 -0.22 -0.12 0.00 0.34 0.00 0.00 59.36 59.31 3g2u h GLU 84 Cb 1.39 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 3g2u h GLU 84 CO 0.15 0.93 -0.58 0.28 -1.16 0.00 0.00 179.01 178.63 3g2u h VAL 85 N 1.06 1.16 -0.42 3.13 2.07 -1.29 -3.03 116.25 118.93 3g2u h VAL 85 Ca 0.24 -2.19 -0.20 0.00 0.82 0.00 0.00 66.70 65.36 3g2u h VAL 85 Cb 0.27 2.28 -0.12 0.00 -1.52 0.00 0.00 31.29 32.20 3g2u h VAL 85 CO -0.01 0.57 0.26 0.61 0.02 0.00 0.00 177.57 179.01 3g2u n GLY 86 N 0.70 2.99 3.63 2.17 0.00 -0.46 -4.20 105.19 110.02 3g2u n GLY 86 Ca 0.00 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 3g2u n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g2u s LYS 87 N -1.49 2.52 0.50 1.61 1.02 -1.15 -4.54 119.74 118.23 3g2u s LYS 87 Ca 0.25 -0.78 0.17 0.00 0.02 0.00 0.00 55.97 55.63 3g2u s LYS 87 Cb 0.21 -2.51 1.23 0.00 -0.52 0.00 0.00 37.83 36.24 3g2u s LYS 87 CO 0.05 0.58 2.10 0.74 -0.92 0.00 0.00 175.35 177.90 3g2u h PHE 88 N 4.07 0.08 -1.01 3.18 0.04 -1.90 -0.22 116.94 121.18 3g2u h PHE 88 Ca -0.48 0.00 0.25 0.00 2.80 0.00 0.00 57.97 60.54 3g2u h PHE 88 Cb 1.17 -0.03 -0.12 0.00 2.20 0.00 0.00 35.95 39.17 3g2u h PHE 88 CO 0.59 0.05 0.61 -0.09 -0.60 0.00 0.00 178.31 178.88 3g2u h ARG 89 N 0.09 0.54 0.00 1.51 2.43 -1.94 0.28 114.38 117.28 3g2u h ARG 89 Ca 0.08 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 59.02 3g2u h ARG 89 Cb 0.21 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 3g2u h ARG 89 CO -0.01 0.35 -1.14 0.35 -1.51 0.00 0.00 179.97 178.02 3g2u h PHE 90 N 0.55 0.00 -0.81 2.20 3.57 -1.34 -3.41 116.94 117.70 3g2u h PHE 90 Ca 0.63 0.00 0.08 0.00 3.53 0.00 0.00 57.97 62.21 3g2u h PHE 90 Cb 1.27 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.96 3g2u h PHE 90 CO -0.01 1.33 0.53 -0.07 -2.23 0.00 0.00 178.31 177.86 3g2u h LEU 91 N -1.00 0.73 -1.23 0.59 -0.00 -0.93 -1.36 115.31 112.10 3g2u h LEU 91 Ca -0.30 0.01 0.15 0.00 -0.00 0.00 0.00 57.88 57.74 3g2u h LEU 91 Cb 1.21 -0.14 -0.08 0.00 -0.00 0.00 0.00 40.66 41.66 3g2u h LEU 91 CO -0.18 0.45 0.59 0.78 -0.00 0.00 0.00 178.44 180.08 3g2u h ASN 92 N 0.82 0.69 0.11 -0.43 2.35 -0.69 -0.50 115.58 117.91 3g2u h ASN 92 Ca 0.36 0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 56.08 3g2u h ASN 92 Cb 0.34 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3g2u h ASN 92 CO -0.14 0.33 -0.25 -0.33 -1.65 0.00 0.00 177.43 175.39 3g2u h GLU 93 N 0.72 0.26 -0.15 0.81 4.39 -1.46 -0.70 114.58 118.44 3g2u h GLU 93 Ca 0.48 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 60.02 3g2u h GLU 93 Cb 0.76 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.39 3g2u h GLU 93 CO -0.23 0.50 -0.19 -0.07 -1.16 0.00 0.00 179.01 177.86 3g2u h LEU 94 N 0.23 0.43 -0.90 1.33 3.38 -1.36 -2.96 115.31 115.45 3g2u h LEU 94 Ca 0.04 -0.50 0.05 0.00 0.09 0.00 0.00 57.88 57.55 3g2u h LEU 94 Cb 0.58 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 3g2u h LEU 94 CO 0.04 0.85 0.58 0.40 0.09 0.00 0.00 178.44 180.40 3g2u h ILE 95 N 0.02 1.10 -0.89 1.22 2.04 -0.99 -2.17 117.51 117.85 3g2u h ILE 95 Ca 0.02 -0.37 0.10 0.00 1.00 0.00 0.00 64.86 65.61 3g2u h ILE 95 Cb 0.74 -0.08 -0.08 0.00 -0.74 0.00 0.00 36.82 36.67 3g2u h ILE 95 CO 0.05 0.20 0.53 0.11 0.00 0.00 0.00 178.15 179.03 3g2u h LYS 96 N 1.08 0.85 -0.38 2.37 1.57 -1.11 -2.15 116.57 118.80 3g2u h LYS 96 Ca 0.38 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.99 3g2u h LYS 96 Cb 0.09 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3g2u h LYS 96 CO -0.15 0.56 -0.22 0.28 -0.57 0.00 0.00 179.45 179.35 3g2u h VAL 97 N 0.87 1.27 -0.00 0.50 2.07 -1.24 0.14 116.25 119.87 3g2u h VAL 97 Ca 0.43 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.63 3g2u h VAL 97 Cb 0.39 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3g2u h VAL 97 CO -0.25 0.44 -0.75 1.33 0.02 0.00 0.00 177.57 178.36 3g2u n VAL 98 N -4.12 0.00 -4.05 2.57 0.24 -0.94 -3.41 118.33 108.63 3g2u n VAL 98 Ca 0.00 -0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.95 3g2u n VAL 98 Cb 0.43 0.64 -0.12 0.00 -1.47 0.00 0.00 33.84 33.31 3g2u n VAL 98 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3g2u s SER 99 N -2.99 5.09 0.25 -1.34 0.15 -0.84 -4.72 113.70 109.30 3g2u s SER 99 Ca 0.10 -0.12 -0.03 0.00 0.70 0.00 0.00 55.95 56.59 3g2u s SER 99 Cb 0.17 -1.87 0.50 0.00 -1.71 0.00 0.00 66.02 63.10 3g2u s SER 99 CO 0.78 0.09 1.70 -0.65 1.20 0.00 0.00 173.24 176.36 3g2u h PRO 100 N 7.33 0.33 -1.30 5.44 0.11 -1.90 0.21 132.00 142.22 3g2u h PRO 100 Ca -0.36 -0.02 0.45 0.00 0.11 0.00 0.00 66.00 66.18 3g2u h PRO 100 Cb 1.18 -0.07 -0.14 0.00 0.11 0.00 0.00 31.00 32.07 3g2u h PRO 100 CO 0.63 0.22 0.82 -0.22 -0.21 0.00 0.00 178.00 179.23 3g2u h LYS 101 N 0.34 0.04 0.00 1.05 3.64 -1.95 -3.41 116.57 116.28 3g2u h LYS 101 Ca 0.44 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 3g2u h LYS 101 Cb 0.74 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3g2u h LYS 101 CO -0.48 0.03 0.00 0.66 -2.27 0.00 0.00 179.45 177.38 3g2u n TYR 102 N -4.81 0.00 1.04 1.91 4.02 -0.30 -4.98 117.16 114.05 3g2u n TYR 102 Ca 0.39 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.39 3g2u n TYR 102 Cb 1.47 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 40.88 3g2u n TYR 102 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3g2u n LEU 103 N 0.00 1.06 -0.30 7.72 4.77 0.50 -4.59 117.00 126.15 3g2u n LEU 103 Ca 0.00 -0.37 0.14 0.00 -0.03 0.00 0.00 56.01 55.76 3g2u n LEU 103 Cb 0.00 -0.09 0.39 0.00 -2.33 0.00 0.00 43.42 41.38 3g2u n LEU 103 CO 0.00 0.23 1.21 1.23 -1.33 0.00 0.00 177.39 178.73 3g2u h GLY 104 N 4.96 1.36 2.00 -0.72 0.00 -0.68 -2.15 103.07 107.85 3g2u h GLY 104 Ca 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 3g2u h GLY 104 CO 0.00 0.01 -0.27 1.76 0.00 0.00 0.00 176.54 178.04 3g2u h SER 105 N 0.66 0.00 -0.44 0.19 0.02 -1.78 -2.81 113.55 109.38 3g2u h SER 105 Ca 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 3g2u h SER 105 Cb 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 3g2u h SER 105 CO -0.27 0.27 0.00 -2.11 -1.14 0.00 0.00 176.83 173.58 3g2u n ARG 106 N -3.99 2.95 -4.02 3.45 1.85 -0.82 -4.98 116.66 111.10 3g2u n ARG 106 Ca -0.02 -2.34 -0.35 0.00 -1.00 0.00 0.00 57.85 54.14 3g2u n ARG 106 Cb 0.34 -1.45 -0.07 0.00 -1.05 0.00 0.00 32.46 30.23 3g2u n ARG 106 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3g2u s THR 107 N -1.29 5.09 0.69 8.89 2.01 -1.06 -5.05 115.64 124.91 3g2u s THR 107 Ca 0.33 -0.12 -0.17 0.00 0.31 0.00 0.00 61.69 62.04 3g2u s THR 107 Cb 0.19 -3.27 0.02 0.00 0.01 0.00 0.00 72.50 69.44 3g2u s THR 107 CO 0.19 0.47 1.26 -0.94 -0.69 0.00 0.00 174.62 174.92 3g2u s SER 108 N -1.41 4.33 0.29 3.53 1.04 -1.26 -4.89 113.70 115.34 3g2u s SER 108 Ca 0.20 2.53 0.04 0.00 0.48 0.00 0.00 55.95 59.19 3g2u s SER 108 Cb -0.12 -2.61 0.66 0.00 0.10 0.00 0.00 66.02 64.05 3g2u s SER 108 CO 0.10 -2.18 1.80 -0.33 0.98 0.00 0.00 173.24 173.61 3g2u h GLU 109 N 0.12 0.82 -0.14 4.02 3.07 -1.99 -2.30 114.58 118.20 3g2u h GLU 109 Ca -0.49 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 58.34 3g2u h GLU 109 Cb 1.32 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 29.02 3g2u h GLU 109 CO 0.51 0.55 -0.03 -0.22 -1.40 0.00 0.00 179.01 178.42 3g2u h LYS 110 N 0.85 0.00 -0.37 2.33 3.64 -1.98 0.19 116.57 121.23 3g2u h LYS 110 Ca 0.54 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.86 3g2u h LYS 110 Cb 0.73 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 3g2u h LYS 110 CO -0.34 0.00 -0.03 0.28 -2.27 0.00 0.00 179.45 177.10 3g2u h VAL 111 N 0.00 1.27 -0.35 2.00 2.07 -1.87 -0.96 116.25 118.41 3g2u h VAL 111 Ca 0.07 -1.05 -0.15 0.00 0.82 0.00 0.00 66.70 66.39 3g2u h VAL 111 Cb 0.10 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3g2u h VAL 111 CO -0.14 0.35 -0.36 0.11 0.02 0.00 0.00 177.57 177.55 3g2u h LYS 112 N 0.48 0.86 -0.33 1.57 1.57 -1.35 -2.00 116.57 117.36 3g2u h LYS 112 Ca 0.10 -0.46 -0.07 0.00 -1.87 0.00 0.00 60.65 58.35 3g2u h LYS 112 Cb 0.51 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 3g2u h LYS 112 CO 0.02 1.10 -0.09 -0.91 -0.57 0.00 0.00 179.45 179.00 3g2u h ASN 113 N 0.65 0.54 -0.31 0.86 -0.26 -0.56 -1.54 115.58 114.95 3g2u h ASN 113 Ca 0.05 -0.13 -0.02 0.00 -0.56 0.00 0.00 56.30 55.64 3g2u h ASN 113 Cb 0.94 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 38.05 3g2u h ASN 113 CO 0.09 0.67 0.11 0.50 -1.06 0.00 0.00 177.43 177.74 3g2u h LYS 114 N 0.52 0.48 -0.13 0.81 1.63 -0.96 -1.07 116.57 117.85 3g2u h LYS 114 Ca 0.10 -0.10 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3g2u h LYS 114 Cb 0.47 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 3g2u h LYS 114 CO 0.03 0.51 0.08 0.82 -3.45 0.00 0.00 179.45 177.43 3g2u h ILE 115 N 0.35 1.06 -0.98 2.00 2.04 -1.14 -0.70 117.51 120.15 3g2u h ILE 115 Ca 0.10 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 65.89 3g2u h ILE 115 Cb 0.22 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 3g2u h ILE 115 CO -0.01 0.05 0.64 -0.07 0.00 0.00 0.00 178.15 178.76 3g2u h LEU 116 N 0.15 1.02 0.12 1.44 3.38 -1.15 -1.15 115.31 119.11 3g2u h LEU 116 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3g2u h LEU 116 Cb 0.02 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3g2u h LEU 116 CO -0.01 0.66 -0.06 -0.08 0.09 0.00 0.00 178.44 179.05 3g2u h GLU 117 N 1.16 -0.15 -0.12 1.13 4.22 -0.83 -2.54 114.58 117.45 3g2u h GLU 117 Ca 0.41 0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.90 3g2u h GLU 117 Cb 0.14 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 3g2u h GLU 117 CO -0.16 -0.03 -0.08 -0.07 -2.18 0.00 0.00 179.01 176.50 3g2u h LEU 118 N -0.24 -0.25 -0.29 1.64 3.38 -0.73 -1.25 115.31 117.57 3g2u h LEU 118 Ca -0.02 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.07 3g2u h LEU 118 Cb 0.19 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 3g2u h LEU 118 CO 0.03 -0.11 -0.08 -0.07 0.09 0.00 0.00 178.44 178.30 3g2u h LEU 119 N -0.08 -0.29 -0.25 1.67 3.38 -1.23 -1.33 115.31 117.19 3g2u h LEU 119 Ca 0.07 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.18 3g2u h LEU 119 Cb 0.19 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 3g2u h LEU 119 CO -0.17 -0.10 -0.45 0.22 0.09 0.00 0.00 178.44 178.03 3g2u h TYR 120 N -0.01 -1.31 -0.95 1.13 3.20 -1.36 -0.91 116.97 116.75 3g2u h TYR 120 Ca 0.14 0.06 0.20 0.00 3.14 0.00 0.00 58.73 62.27 3g2u h TYR 120 Cb 0.22 0.61 -0.08 0.00 1.54 0.00 0.00 36.73 39.02 3g2u h TYR 120 CO -0.29 -0.48 0.61 0.66 -1.64 0.00 0.00 178.16 177.03 3g2u h SER 121 N -0.44 0.55 -0.25 -2.11 4.64 -0.76 -2.10 113.55 113.09 3g2u h SER 121 Ca 0.09 0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 61.33 3g2u h SER 121 Cb 0.62 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3g2u h SER 121 CO -0.48 0.21 -0.39 -0.50 -0.87 0.00 0.00 176.83 174.79 3g2u h TRP 122 N 0.54 0.87 0.00 4.77 6.55 -0.56 -1.44 115.95 126.69 3g2u h TRP 122 Ca 0.51 -0.30 0.00 0.00 0.95 0.00 0.00 58.89 60.05 3g2u h TRP 122 Cb 1.09 -0.17 0.00 0.00 -0.86 0.00 0.00 29.16 29.22 3g2u h TRP 122 CO -0.00 1.07 0.08 1.79 -1.05 0.00 0.00 178.44 180.33 3g2u h THR 123 N 0.43 0.00 0.00 1.49 1.35 -0.47 0.16 112.91 115.86 3g2u h THR 123 Ca 0.02 0.00 -0.37 0.00 -0.55 0.00 0.00 66.41 65.51 3g2u h THR 123 Cb 0.99 0.53 -0.06 0.00 -1.73 0.00 0.00 68.15 67.88 3g2u h THR 123 CO 0.09 0.00 -2.30 0.52 -0.25 0.00 0.00 175.52 173.58 3g2u n VAL 124 N -2.38 1.29 0.13 6.82 0.31 -1.15 -4.34 118.33 119.02 3g2u n VAL 124 Ca -0.02 -0.40 0.06 0.00 -0.01 0.00 0.00 64.34 63.97 3g2u n VAL 124 Cb 0.12 -1.58 0.04 0.00 -0.91 0.00 0.00 33.84 31.50 3g2u n VAL 124 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3g2u h GLY 125 N 0.29 0.00 -6.02 2.92 0.00 -1.04 -3.38 103.07 95.84 3g2u h GLY 125 Ca -0.56 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.20 3g2u h GLY 125 CO -0.24 0.00 -0.88 1.04 0.00 0.00 0.00 176.54 176.47 3g2u n LEU 126 N -3.04 2.00 0.25 3.11 4.77 0.54 -4.96 117.00 119.67 3g2u n LEU 126 Ca -0.00 -5.10 0.12 0.00 -0.03 0.00 0.00 56.01 51.00 3g2u n LEU 126 Cb 0.67 0.04 0.64 0.00 -2.33 0.00 0.00 43.42 42.43 3g2u n LEU 126 CO 0.39 2.11 0.91 1.55 -1.33 0.00 0.00 177.39 181.03 3g2u h PRO 127 N 3.89 0.00 0.00 3.23 0.13 -1.75 -2.32 132.00 135.18 3g2u h PRO 127 Ca 0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 3g2u h PRO 127 Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 3g2u h PRO 127 CO 0.64 0.16 -0.07 0.93 -0.23 0.00 0.00 178.00 179.44 3g2u h GLU 128 N 0.00 0.00 -4.48 0.86 3.07 -1.93 -3.35 114.58 108.75 3g2u h GLU 128 Ca -0.00 0.00 -0.72 0.00 -0.50 0.00 0.00 59.36 58.14 3g2u h GLU 128 Cb 0.47 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.28 3g2u h GLU 128 CO 0.02 0.07 2.38 0.39 -1.40 0.00 0.00 179.01 180.47 3g2u n GLU 129 N -3.21 3.19 0.27 2.33 -0.58 -0.87 -4.81 120.64 116.96 3g2u n GLU 129 Ca 0.00 -3.17 0.18 0.00 -0.42 0.00 0.00 57.16 53.75 3g2u n GLU 129 Cb 0.32 -3.22 0.85 0.00 -0.57 0.00 0.00 31.44 28.82 3g2u n GLU 129 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 3g2u h VAL 130 N 4.44 0.00 -0.02 2.62 -1.51 -1.84 -2.80 116.25 117.14 3g2u h VAL 130 Ca 0.46 -0.24 -0.21 0.00 -1.23 0.00 0.00 66.70 65.49 3g2u h VAL 130 Cb 0.73 1.15 -0.00 0.00 -2.13 0.00 0.00 31.29 31.04 3g2u h VAL 130 CO 1.62 0.00 -0.87 0.11 -1.23 0.00 0.00 177.57 177.21 3g2u h LYS 131 N 0.00 0.37 -0.56 5.19 1.57 -1.87 -1.11 116.57 120.16 3g2u h LYS 131 Ca 0.00 -0.37 0.05 0.00 -1.87 0.00 0.00 60.65 58.46 3g2u h LYS 131 Cb 0.25 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 3g2u h LYS 131 CO 0.00 1.04 0.30 0.82 -0.57 0.00 0.00 179.45 181.04 3g2u h ILE 132 N 0.22 0.97 -0.31 1.86 2.04 -1.73 0.60 117.51 121.16 3g2u h ILE 132 Ca -0.06 -0.20 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 3g2u h ILE 132 Cb 1.48 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3g2u h ILE 132 CO 0.15 0.10 -0.07 0.00 0.00 0.00 0.00 178.15 178.33 3g2u h ALA 133 N 1.29 1.29 -0.19 1.87 0.00 -1.55 -0.95 119.26 121.03 3g2u h ALA 133 Ca 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3g2u h ALA 133 Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3g2u h ALA 133 CO -0.16 0.47 0.06 1.49 0.00 0.00 0.00 179.25 181.12 3g2u h GLU 134 N 0.48 0.29 -0.78 0.00 4.81 -0.59 -0.23 114.58 118.56 3g2u h GLU 134 Ca 0.10 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 3g2u h GLU 134 Cb 0.43 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 3g2u h GLU 134 CO 0.02 0.39 0.33 0.00 -0.73 0.00 0.00 179.01 179.02 3g2u h ALA 135 N 0.89 1.02 0.23 2.92 0.00 -0.72 -1.05 119.26 122.54 3g2u h ALA 135 Ca 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3g2u h ALA 135 Cb 0.22 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3g2u h ALA 135 CO -0.00 0.63 -0.11 -0.92 0.00 0.00 0.00 179.25 178.85 3g2u h TYR 136 N 1.13 -0.29 -0.31 0.00 3.20 -1.06 -2.32 116.97 117.32 3g2u h TYR 136 Ca 0.26 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.18 3g2u h TYR 136 Cb 0.19 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 3g2u h TYR 136 CO 0.02 0.01 0.21 0.37 -1.64 0.00 0.00 178.16 177.13 3g2u h GLN 137 N -0.58 0.16 -0.39 1.82 5.75 -0.99 -0.24 115.11 120.63 3g2u h GLN 137 Ca -0.03 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.38 3g2u h GLN 137 Cb 0.43 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 3g2u h GLN 137 CO 0.05 0.10 -0.06 1.98 -2.65 0.00 0.00 178.83 178.26 3g2u h MET 138 N 0.16 0.74 -0.67 1.69 4.05 -1.01 0.49 114.93 120.38 3g2u h MET 138 Ca 0.14 -0.27 -0.08 0.00 -0.28 0.00 0.00 59.70 59.21 3g2u h MET 138 Cb 0.34 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.07 3g2u h MET 138 CO -0.02 0.86 0.10 -0.07 0.23 0.00 0.00 176.91 178.01 3g2u h LEU 139 N 0.55 1.08 0.13 3.39 3.38 -0.85 -2.31 115.31 120.67 3g2u h LEU 139 Ca 0.10 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3g2u h LEU 139 Cb 0.57 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3g2u h LEU 139 CO 0.03 1.07 -0.06 0.50 0.09 0.00 0.00 178.44 180.07 3g2u h LYS 140 N 1.04 -0.16 -0.42 1.13 3.64 -0.85 -0.41 116.57 120.54 3g2u h LYS 140 Ca 0.20 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.70 3g2u h LYS 140 Cb 0.46 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3g2u h LYS 140 CO 0.02 -0.11 0.30 -0.22 -2.27 0.00 0.00 179.45 177.17 3g2u h LYS 141 N -0.18 0.08 -0.00 1.90 3.64 -0.71 0.30 116.57 121.61 3g2u h LYS 141 Ca -0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3g2u h LYS 141 Cb 0.14 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3g2u h LYS 141 CO 0.03 0.06 -0.08 1.04 -2.27 0.00 0.00 179.45 178.22 3g2u n GLN 142 N -4.44 0.26 -1.03 1.90 6.02 -0.89 -4.92 117.38 114.29 3g2u n GLN 142 Ca 0.07 -0.05 -0.01 0.00 -0.01 0.00 0.00 57.00 57.00 3g2u n GLN 142 Cb 0.44 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.19 3g2u n GLN 142 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g2u n GLY 143 N 1.39 0.49 0.14 1.08 0.00 0.11 -4.93 105.19 103.46 3g2u n GLY 143 Ca 0.10 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 3g2u n GLY 143 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3g2u h ILE 144 N 0.00 0.56 -1.97 -0.61 2.04 -1.28 -3.39 117.51 112.86 3g2u h ILE 144 Ca -0.02 -1.09 -0.53 0.00 1.00 0.00 0.00 64.86 64.23 3g2u h ILE 144 Cb 0.09 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3g2u h ILE 144 CO 0.03 0.16 1.49 -0.69 0.00 0.00 0.00 178.15 179.14 3g2u s VAL 145 N -2.92 3.14 -2.03 1.67 1.01 -1.06 -4.95 120.40 115.27 3g2u s VAL 145 Ca -0.10 0.12 0.16 0.00 0.00 0.00 0.00 61.98 62.16 3g2u s VAL 145 Cb 0.00 -3.25 0.13 0.00 0.00 0.00 0.00 36.38 33.26 3g2u s VAL 145 CO 0.34 -0.21 1.01 0.29 0.00 0.00 0.00 175.10 176.54