#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jun h ASN 13 N 0.00 0.63 -0.70 -1.84 2.35 -2.05 -0.19 115.58 113.77 3jun h ASN 13 Ca 0.00 -0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3jun h ASN 13 Cb 0.00 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.17 3jun h ASN 13 CO 0.00 0.51 0.44 0.03 -1.65 0.00 0.00 177.43 176.76 3jun h ARG 14 N 0.69 0.82 -0.57 0.81 3.08 -2.05 -0.94 114.38 116.22 3jun h ARG 14 Ca 0.18 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 3jun h ARG 14 Cb 0.01 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 3jun h ARG 14 CO -0.03 0.54 0.28 0.00 -1.07 0.00 0.00 179.97 179.69 3jun h ALA 15 N 1.31 0.74 -0.65 0.04 0.00 -1.66 -1.76 119.26 117.28 3jun h ALA 15 Ca 0.29 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3jun h ALA 15 Cb 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3jun h ALA 15 CO -0.12 0.30 0.20 1.96 0.00 0.00 0.00 179.25 181.59 3jun h GLN 16 N 0.78 1.02 -0.71 0.00 4.20 -1.01 0.41 115.11 119.79 3jun h GLN 16 Ca 0.20 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3jun h GLN 16 Cb 0.12 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 3jun h GLN 16 CO -0.02 0.89 0.44 0.28 -0.67 0.00 0.00 178.83 179.75 3jun h VAL 17 N 0.95 1.20 -0.40 -0.54 2.07 -1.01 -0.40 116.25 118.12 3jun h VAL 17 Ca 0.21 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 3jun h VAL 17 Cb 0.31 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3jun h VAL 17 CO -0.01 0.21 0.10 0.00 0.02 0.00 0.00 177.57 177.89 3jun h ALA 18 N 1.23 0.53 -0.68 1.67 0.00 -1.17 -0.68 119.26 120.17 3jun h ALA 18 Ca 0.26 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3jun h ALA 18 Cb -0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3jun h ALA 18 CO -0.05 0.21 0.45 0.00 0.00 0.00 0.00 179.25 179.86 3jun h ALA 19 N 0.95 0.86 -0.48 0.00 0.00 -0.62 -1.31 119.26 118.65 3jun h ALA 19 Ca 0.13 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3jun h ALA 19 Cb 0.32 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3jun h ALA 19 CO 0.00 0.28 0.06 -0.09 0.00 0.00 0.00 179.25 179.51 3jun h ARG 20 N 0.92 0.81 -0.73 0.00 2.43 -0.84 -0.63 114.38 116.33 3jun h ARG 20 Ca 0.25 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 3jun h ARG 20 Cb -0.10 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.33 3jun h ARG 20 CO -0.06 0.82 0.24 1.96 -1.51 0.00 0.00 179.97 181.43 3jun h GLN 21 N 0.68 1.12 -0.06 0.20 4.20 -0.88 -0.12 115.11 120.25 3jun h GLN 21 Ca 0.14 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 3jun h GLN 21 Cb 0.42 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 3jun h GLN 21 CO 0.01 0.95 -0.02 1.25 -0.67 0.00 0.00 178.83 180.35 3jun h HIS 22 N 1.08 0.14 -0.68 2.96 2.76 -0.96 -2.79 115.15 117.67 3jun h HIS 22 Ca 0.24 -0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.34 3jun h HIS 22 Cb 0.28 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.17 3jun h HIS 22 CO 0.02 0.47 0.27 -0.91 -1.30 0.00 0.00 177.93 176.48 3jun h ASN 23 N -0.22 0.91 -0.89 3.26 2.35 -0.98 -2.43 115.58 117.57 3jun h ASN 23 Ca 0.02 -0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.68 3jun h ASN 23 Cb 0.42 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.51 3jun h ASN 23 CO 0.01 0.81 0.59 -0.09 -1.65 0.00 0.00 177.43 177.09 3jun h ARG 24 N 0.97 1.09 -0.18 0.81 2.43 -0.93 -0.29 114.38 118.27 3jun h ARG 24 Ca 0.23 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.25 3jun h ARG 24 Cb 0.18 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3jun h ARG 24 CO -0.02 0.72 -0.27 0.87 -1.51 0.00 0.00 179.97 179.76 3jun h LYS 25 N 1.12 0.34 -0.33 0.20 1.57 -1.17 -0.94 116.57 117.37 3jun h LYS 25 Ca 0.35 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 3jun h LYS 25 Cb 0.02 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3jun h LYS 25 CO -0.11 0.59 -0.04 0.82 -0.57 0.00 0.00 179.45 180.14 3jun h ILE 26 N 0.30 1.27 -0.64 1.86 1.08 -1.06 0.09 117.51 120.41 3jun h ILE 26 Ca 0.05 -1.04 0.02 0.00 -0.39 0.00 0.00 64.86 63.49 3jun h ILE 26 Cb 0.64 1.29 -0.04 0.00 -3.07 0.00 0.00 36.82 35.64 3jun h ILE 26 CO 0.05 0.34 0.40 0.58 -0.69 0.00 0.00 178.15 178.83 3jun h VAL 27 N 0.39 1.10 -0.29 1.67 2.07 -0.75 -0.08 116.25 120.37 3jun h VAL 27 Ca 0.09 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.38 3jun h VAL 27 Cb 0.51 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3jun h VAL 27 CO 0.02 0.15 0.03 -0.33 0.02 0.00 0.00 177.57 177.46 3jun h GLU 28 N 0.80 0.12 -0.31 1.57 5.08 -1.05 -1.07 114.58 119.73 3jun h GLU 28 Ca 0.25 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.62 3jun h GLU 28 Cb -0.01 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3jun h GLU 28 CO -0.09 0.08 0.16 0.37 -1.00 0.00 0.00 179.01 178.53 3jun h GLN 29 N 0.13 0.32 -0.05 2.33 4.15 -0.54 -1.89 115.11 119.55 3jun h GLN 29 Ca 0.14 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.56 3jun h GLN 29 Cb 0.16 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 3jun h GLN 29 CO -0.21 0.21 -0.12 -0.92 -1.93 0.00 0.00 178.83 175.87 3jun h TYR 30 N 0.33 -0.29 -0.08 3.99 3.20 -0.84 -2.74 116.97 120.53 3jun h TYR 30 Ca 0.13 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 3jun h TYR 30 Cb 0.04 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 3jun h TYR 30 CO -0.09 -0.17 -0.16 0.52 -1.64 0.00 0.00 178.16 176.61 3jun h MET 31 N -0.17 0.13 -0.42 1.82 2.86 -0.97 -2.96 114.93 115.22 3jun h MET 31 Ca 0.06 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3jun h MET 31 Cb 0.25 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3jun h MET 31 CO -0.15 0.30 0.00 0.72 1.06 0.00 0.00 176.91 178.84 3jun n HIS 32 N -4.29 0.56 -2.58 -0.22 8.25 -0.73 -4.56 115.22 111.65 3jun n HIS 32 Ca -0.01 -0.28 -0.42 0.00 -0.26 0.00 0.00 57.72 56.74 3jun n HIS 32 Cb 0.26 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 3jun n HIS 32 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3jun s THR 33 N -1.44 4.53 0.11 1.59 2.01 -1.05 -5.01 115.64 116.38 3jun s THR 33 Ca 0.36 1.83 -0.00 0.00 0.31 0.00 0.00 61.69 64.18 3jun s THR 33 Cb 0.20 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 3jun s THR 33 CO 0.27 0.02 0.01 -0.13 -0.69 0.00 0.00 174.62 174.09 3jun s ARG 34 N 1.99 0.84 4.73 4.92 0.52 -1.26 -4.83 118.95 125.85 3jun s ARG 34 Ca 0.52 -1.37 0.00 0.00 -0.52 0.00 0.00 55.73 54.36 3jun s ARG 34 Cb -0.22 0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.36 3jun s ARG 34 CO 0.21 -0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.77 3jun n GLY 35 N -0.04 2.36 0.32 -3.53 0.00 -1.26 -2.87 105.19 100.17 3jun n GLY 35 Ca -0.09 -0.41 0.15 0.00 0.00 0.00 0.00 46.02 45.67 3jun n GLY 35 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3jun h GLU 36 N 0.00 0.00 -0.02 1.61 4.39 -1.99 -0.75 114.58 117.82 3jun h GLU 36 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3jun h GLU 36 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3jun h GLU 36 CO 0.00 0.00 0.04 0.00 -1.16 0.00 0.00 179.01 177.89 3jun h ALA 37 N 1.86 1.27 0.00 3.43 0.00 -1.94 0.24 119.26 124.11 3jun h ALA 37 Ca 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3jun h ALA 37 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3jun h ALA 37 CO -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 179.25 179.17 3jun h ARG 38 N 0.00 0.00 0.00 0.00 3.08 -1.24 -1.81 114.38 114.41 3jun h ARG 38 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3jun h ARG 38 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3jun h ARG 38 CO -0.00 0.03 0.00 -0.07 -1.07 0.00 0.00 179.97 178.86 3jun h LEU 39 N 0.00 0.00 -2.52 3.04 3.38 -1.12 -3.06 115.31 115.03 3jun h LEU 39 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3jun h LEU 39 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3jun h LEU 39 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 3jun n LYS 40 N -2.96 2.27 0.24 1.13 5.02 -0.69 -4.65 118.16 118.53 3jun n LYS 40 Ca -0.01 -1.79 0.11 0.00 -2.02 0.00 0.00 58.31 54.60 3jun n LYS 40 Cb 0.15 -1.24 0.62 0.00 -0.02 0.00 0.00 35.03 34.54 3jun n LYS 40 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3jun h ARG 41 N 1.91 0.00 -0.03 1.97 2.43 -1.49 -1.85 114.38 117.32 3jun h ARG 41 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3jun h ARG 41 Cb 0.64 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3jun h ARG 41 CO 0.00 0.17 0.24 1.12 -1.51 0.00 0.00 179.97 179.99 3jun h HIS 42 N 0.00 0.00 0.00 2.20 2.07 -1.82 -0.88 115.15 116.71 3jun h HIS 42 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3jun h HIS 42 Cb 0.50 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.48 3jun h HIS 42 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 3jun n LEU 43 N -3.05 0.25 0.01 6.12 4.77 -0.70 -1.93 117.00 122.47 3jun n LEU 43 Ca -0.02 0.57 0.14 0.00 -0.03 0.00 0.00 56.01 56.67 3jun n LEU 43 Cb 0.30 -0.54 0.54 0.00 -2.33 0.00 0.00 43.42 41.39 3jun n LEU 43 CO 0.17 -0.41 0.87 0.18 -1.33 0.00 0.00 177.39 176.87 3jun n LEU 44 N -1.78 0.16 -4.93 2.23 4.77 -0.34 -4.87 117.00 112.24 3jun n LEU 44 Ca 0.02 0.43 -0.27 0.00 -0.03 0.00 0.00 56.01 56.16 3jun n LEU 44 Cb 0.17 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 3jun n LEU 44 CO 0.14 0.00 0.01 -0.36 -1.33 0.00 0.00 177.39 175.85 3jun s PHE 45 N -3.01 3.48 0.82 -1.77 0.08 -0.81 -0.32 117.98 116.45 3jun s PHE 45 Ca 0.13 0.29 -0.11 0.00 0.12 0.00 0.00 56.93 57.36 3jun s PHE 45 Cb 0.18 -1.81 0.09 0.00 -0.57 0.00 0.00 43.02 40.91 3jun s PHE 45 CO 0.56 0.40 1.13 0.95 -0.10 0.00 0.00 175.22 178.16 3jun s THR 46 N -1.86 2.70 0.37 0.64 -4.23 0.87 -4.74 115.64 109.39 3jun s THR 46 Ca 0.38 0.24 0.10 0.00 -1.18 0.00 0.00 61.69 61.23 3jun s THR 46 Cb -0.11 -2.54 0.33 0.00 1.34 0.00 0.00 72.50 71.52 3jun s THR 46 CO 0.29 -0.28 1.88 -0.08 -0.54 0.00 0.00 174.62 175.89 3jun h GLU 47 N -1.29 0.61 -0.71 3.99 4.57 -1.95 -0.11 114.58 119.68 3jun h GLU 47 Ca -0.44 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 3jun h GLU 47 Cb 1.25 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 3jun h GLU 47 CO 0.47 0.40 0.00 -0.40 -1.18 0.00 0.00 179.01 178.30 3jun n ASP 48 N -4.54 4.08 -4.52 1.04 3.85 -1.26 -1.06 116.55 114.14 3jun n ASP 48 Ca 0.16 -2.11 -0.40 0.00 -0.71 0.00 0.00 54.79 51.73 3jun n ASP 48 Cb 0.48 -0.51 0.02 0.00 -1.35 0.00 0.00 41.12 39.76 3jun n ASP 48 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3jun n GLY 49 N 1.53 -0.99 3.30 6.12 0.00 -0.05 -4.25 105.19 110.84 3jun n GLY 49 Ca 0.25 0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 3jun n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jun s VAL 50 N -1.46 2.12 0.12 1.61 1.01 -0.38 0.25 120.40 123.67 3jun s VAL 50 Ca 0.66 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 61.61 3jun s VAL 50 Cb -0.54 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 3jun s VAL 50 CO 0.56 0.57 -0.09 -0.83 0.00 0.00 0.00 175.10 175.31 3jun s GLY 51 N -0.35 0.91 0.00 4.51 0.00 -0.81 -0.88 107.32 110.71 3jun s GLY 51 Ca 0.02 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.38 3jun s GLY 51 CO 0.02 -1.46 0.00 0.61 0.00 0.00 0.00 173.10 172.27 3jun n GLY 52 N 0.07 -0.83 3.49 0.20 0.00 -1.03 0.11 105.19 107.20 3jun n GLY 52 Ca -0.12 -1.35 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 3jun n GLY 52 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jun s LEU 53 N 0.00 3.58 0.00 0.99 2.96 -0.29 -1.70 118.68 124.22 3jun s LEU 53 Ca 0.00 -0.14 0.23 0.00 -0.22 0.00 0.00 54.13 53.99 3jun s LEU 53 Cb 0.00 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.75 3jun s LEU 53 CO 0.00 -0.02 1.09 0.79 -1.32 0.00 0.00 176.35 176.89 3jun n TRP 54 N 4.83 0.00 -3.94 5.38 8.01 0.16 -0.81 117.44 131.07 3jun n TRP 54 Ca -0.16 0.00 -0.31 0.00 -1.31 0.00 0.00 57.50 55.73 3jun n TRP 54 Cb 0.52 -0.03 -0.15 0.00 -2.01 0.00 0.00 31.31 29.63 3jun n TRP 54 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 3jun s THR 55 N -2.74 1.84 0.25 -0.99 -4.23 -1.25 -4.57 115.64 103.94 3jun s THR 55 Ca 0.14 -1.98 0.05 0.00 -1.18 0.00 0.00 61.69 58.71 3jun s THR 55 Cb 0.17 -2.33 -0.05 0.00 1.34 0.00 0.00 72.50 71.63 3jun s THR 55 CO 0.70 -0.56 -0.02 0.42 -0.54 0.00 0.00 174.62 174.62 3jun s THR 56 N 1.14 1.24 0.38 3.99 -4.23 -1.26 -4.69 115.64 112.21 3jun s THR 56 Ca 0.09 -2.06 0.10 0.00 -1.18 0.00 0.00 61.69 58.64 3jun s THR 56 Cb -0.19 -2.39 0.14 0.00 1.34 0.00 0.00 72.50 71.40 3jun s THR 56 CO -0.13 -0.31 1.89 -2.24 -0.54 0.00 0.00 174.62 173.30 3jun h ASP 57 N 2.39 0.18 1.26 3.99 3.04 -1.96 -2.05 116.42 123.27 3jun h ASP 57 Ca -0.39 -0.04 -0.01 0.00 -3.24 0.00 0.00 57.03 53.35 3jun h ASP 57 Cb 1.23 -0.05 -0.00 0.00 -1.04 0.00 0.00 39.33 39.47 3jun h ASP 57 CO 0.66 0.38 -0.05 0.77 -2.04 0.00 0.00 179.24 178.96 3jun h SER 58 N 0.17 0.00 0.00 4.15 4.64 -2.02 -3.46 113.55 117.03 3jun h SER 58 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3jun h SER 58 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3jun h SER 58 CO 0.03 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 3jun n GLY 59 N 0.35 1.93 3.78 -0.77 0.00 -0.77 -5.04 105.19 104.67 3jun n GLY 59 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3jun n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jun s GLN 60 N -0.15 3.77 0.61 1.61 -1.52 -1.26 -4.88 119.66 117.84 3jun s GLN 60 Ca 0.00 -0.21 -0.19 0.00 -1.95 0.00 0.00 55.36 53.01 3jun s GLN 60 Cb 0.00 -3.26 -0.03 0.00 -0.22 0.00 0.00 33.01 29.51 3jun s GLN 60 CO 0.00 0.53 1.31 -2.14 -0.25 0.00 0.00 175.29 174.74 3jun s PRO 61 N -0.31 2.77 -0.62 2.91 0.02 -1.26 -4.61 135.00 133.91 3jun s PRO 61 Ca 0.11 2.12 -0.18 0.00 0.02 0.00 0.00 61.00 63.06 3jun s PRO 61 Cb -0.12 -1.99 0.11 0.00 0.02 0.00 0.00 34.50 32.53 3jun s PRO 61 CO 0.01 -1.44 0.72 0.42 -0.33 0.00 0.00 177.00 176.38 3jun s ILE 62 N -1.37 4.88 -0.21 2.83 1.01 0.01 -4.98 121.20 123.38 3jun s ILE 62 Ca 0.79 -1.15 -0.05 0.00 0.00 0.00 0.00 60.65 60.24 3jun s ILE 62 Cb -0.38 -4.50 -0.02 0.00 0.01 0.00 0.00 42.46 37.56 3jun s ILE 62 CO 0.42 -1.13 0.01 0.00 0.00 0.00 0.00 174.94 174.24 3jun s ALA 63 N 2.47 3.04 -0.36 9.38 0.00 -1.26 -1.14 121.76 133.89 3jun s ALA 63 Ca 0.12 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 50.96 3jun s ALA 63 Cb -0.23 -1.81 0.03 0.00 0.00 0.00 0.00 23.12 21.10 3jun s ALA 63 CO 0.04 -0.22 0.18 0.42 0.00 0.00 0.00 175.76 176.18 3jun s ILE 64 N 1.12 4.43 -0.25 0.00 1.01 0.12 -4.97 121.20 122.65 3jun s ILE 64 Ca 0.03 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 3jun s ILE 64 Cb -0.14 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 3jun s ILE 64 CO 0.02 -0.18 0.11 -0.13 0.00 0.00 0.00 174.94 174.75 3jun s ARG 65 N 1.53 3.79 0.00 2.79 0.52 -1.26 -1.91 118.95 124.41 3jun s ARG 65 Ca 0.02 -0.41 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 3jun s ARG 65 Cb -0.19 -3.44 0.00 0.00 0.52 0.00 0.00 34.95 31.85 3jun s ARG 65 CO 0.06 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.65 3jun n GLY 66 N 4.84 2.80 0.19 -3.53 0.00 0.14 -4.54 105.19 105.09 3jun n GLY 66 Ca -0.15 -1.64 -0.07 0.00 0.00 0.00 0.00 46.02 44.15 3jun n GLY 66 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3jun h ARG 67 N 0.00 0.54 -0.28 1.61 2.43 -1.25 0.02 114.38 117.46 3jun h ARG 67 Ca 0.00 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.01 3jun h ARG 67 Cb 0.00 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3jun h ARG 67 CO 0.00 0.36 -0.37 1.05 -1.51 0.00 0.00 179.97 179.50 3jun h GLU 68 N 0.56 0.65 -0.68 0.20 4.11 -1.90 -1.52 114.58 115.99 3jun h GLU 68 Ca 0.17 -0.32 -0.07 0.00 0.07 0.00 0.00 59.36 59.22 3jun h GLU 68 Cb -0.03 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3jun h GLU 68 CO -0.06 0.91 0.17 0.87 0.07 0.00 0.00 179.01 180.97 3jun h LYS 69 N 0.54 1.07 -0.61 1.06 1.79 -1.68 -1.51 116.57 117.24 3jun h LYS 69 Ca 0.05 -0.25 0.01 0.00 -2.18 0.00 0.00 60.65 58.28 3jun h LYS 69 Cb 0.88 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 31.35 3jun h LYS 69 CO 0.08 0.95 0.40 -0.07 -1.08 0.00 0.00 179.45 179.73 3jun h LEU 70 N 1.02 0.70 -0.56 2.94 3.38 -0.69 -0.47 115.31 121.64 3jun h LEU 70 Ca 0.22 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 3jun h LEU 70 Cb 0.35 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3jun h LEU 70 CO 0.00 0.51 -0.08 1.23 0.09 0.00 0.00 178.44 180.19 3jun h GLY 71 N 0.83 1.12 0.81 0.83 0.00 -0.79 -1.69 103.07 104.18 3jun h GLY 71 Ca 0.22 -0.88 0.04 0.00 0.00 0.00 0.00 47.33 46.71 3jun h GLY 71 CO -0.05 0.81 0.39 0.83 0.00 0.00 0.00 176.54 178.53 3jun h GLU 72 N 0.92 0.74 0.00 4.80 5.08 -0.86 -2.73 114.58 122.52 3jun h GLU 72 Ca 0.15 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 3jun h GLU 72 Cb 0.65 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3jun h GLU 72 CO 0.04 0.49 -0.35 0.45 -1.00 0.00 0.00 179.01 178.65 3jun h HIS 73 N 0.76 0.00 0.00 4.33 3.86 -0.80 -2.62 115.15 120.68 3jun h HIS 73 Ca 0.28 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.42 3jun h HIS 73 Cb 0.08 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 3jun h HIS 73 CO -0.06 0.35 -0.29 0.00 0.86 0.00 0.00 177.93 178.79 3jun h ALA 74 N 1.65 1.20 -0.21 2.45 0.00 -1.00 -0.70 119.26 122.66 3jun h ALA 74 Ca -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3jun h ALA 74 Cb 0.66 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3jun h ALA 74 CO 0.04 0.36 -0.01 0.28 0.00 0.00 0.00 179.25 179.93 3jun h VAL 75 N 0.00 1.26 -0.62 0.00 2.07 -1.38 -1.45 116.25 116.13 3jun h VAL 75 Ca -0.00 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 3jun h VAL 75 Cb 0.65 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 3jun h VAL 75 CO 0.04 0.28 0.27 -0.50 0.02 0.00 0.00 177.57 177.68 3jun h TRP 76 N 0.13 0.92 0.00 1.57 6.55 -1.44 -2.70 115.95 120.99 3jun h TRP 76 Ca 0.06 -0.06 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 3jun h TRP 76 Cb 0.41 -0.28 -0.00 0.00 -0.86 0.00 0.00 29.16 28.43 3jun h TRP 76 CO 0.04 0.72 -0.03 0.77 -1.05 0.00 0.00 178.44 178.88 3jun h SER 77 N 0.86 0.00 1.07 -3.49 0.02 -1.09 -1.02 113.55 109.90 3jun h SER 77 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3jun h SER 77 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3jun h SER 77 CO -0.02 0.03 0.00 0.25 -1.14 0.00 0.00 176.83 175.95 3jun h LEU 78 N 0.00 0.00 0.15 5.07 5.85 -0.92 0.12 115.31 125.58 3jun h LEU 78 Ca -0.00 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.42 3jun h LEU 78 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3jun h LEU 78 CO 0.00 0.00 -1.48 1.56 -0.34 0.00 0.00 178.44 178.18 3jun h GLN 79 N 0.00 0.31 -0.16 1.25 1.08 -1.20 -3.23 115.11 113.16 3jun h GLN 79 Ca 0.00 -0.53 -0.13 0.00 -1.45 0.00 0.00 58.65 56.54 3jun h GLN 79 Cb 0.53 0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 3jun h GLN 79 CO 0.00 1.25 -0.47 0.00 -0.95 0.00 0.00 178.83 178.66 3jun s PHE 81 N -4.08 2.09 -0.17 0.00 0.40 0.02 -0.92 117.98 115.33 3jun s PHE 81 Ca -0.06 -2.73 0.29 0.00 -0.60 0.00 0.00 56.93 53.83 3jun s PHE 81 Cb 0.12 -1.65 1.05 0.00 0.51 0.00 0.00 43.02 43.05 3jun s PHE 81 CO 0.81 -0.71 1.85 -1.00 0.70 0.00 0.00 175.22 176.86 3jun h PRO 82 N 5.57 0.00 0.00 0.24 0.13 -1.70 -3.26 132.00 132.99 3jun h PRO 82 Ca 0.21 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.28 3jun h PRO 82 Cb 0.85 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.85 3jun h PRO 82 CO 0.51 0.00 -0.63 -0.40 -0.23 0.00 0.00 178.00 177.25 3jun n ASP 83 N -2.90 0.69 -4.67 1.44 5.68 -1.26 -4.90 116.55 110.63 3jun n ASP 83 Ca 0.02 -2.24 -0.44 0.00 -0.50 0.00 0.00 54.79 51.63 3jun n ASP 83 Cb 0.35 -0.28 -0.02 0.00 -1.14 0.00 0.00 41.12 40.03 3jun n ASP 83 CO 0.00 0.00 0.00 1.87 -1.33 0.00 0.00 177.20 177.74 3jun n TRP 84 N -0.06 2.06 -3.84 2.11 -0.00 -1.23 -4.80 117.44 111.68 3jun n TRP 84 Ca 0.05 0.51 -0.13 0.00 -0.00 0.00 0.00 57.50 57.93 3jun n TRP 84 Cb 0.84 -2.41 -0.15 0.00 -0.00 0.00 0.00 31.31 29.59 3jun n TRP 84 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 3jun s VAL 85 N -0.50 -0.02 -0.02 5.87 -7.23 -0.95 -4.66 120.40 112.89 3jun s VAL 85 Ca 0.63 0.06 -0.18 0.00 -1.81 0.00 0.00 61.98 60.68 3jun s VAL 85 Cb -0.64 -0.03 -0.05 0.00 0.56 0.00 0.00 36.38 36.21 3jun s VAL 85 CO 0.55 0.03 0.51 0.26 -0.31 0.00 0.00 175.10 176.14 3jun s TRP 86 N 0.31 3.67 0.18 2.82 0.52 -1.26 -1.83 118.94 123.36 3jun s TRP 86 Ca -0.03 1.09 0.03 0.00 0.02 0.00 0.00 56.10 57.21 3jun s TRP 86 Cb -0.04 -2.50 -0.05 0.00 -1.15 0.00 0.00 33.47 29.74 3jun s TRP 86 CO -0.01 0.42 -0.03 0.95 0.02 0.00 0.00 176.95 178.30 3jun s THR 87 N -0.37 0.95 -1.30 2.01 -4.23 -0.59 -4.88 115.64 107.23 3jun s THR 87 Ca 0.28 -2.02 -0.08 0.00 -1.18 0.00 0.00 61.69 58.68 3jun s THR 87 Cb -0.17 -2.10 0.01 0.00 1.34 0.00 0.00 72.50 71.58 3jun s THR 87 CO 0.15 -0.52 1.13 0.47 -0.54 0.00 0.00 174.62 175.31 3jun n ASP 88 N -0.28 -6.07 -4.69 3.99 9.92 -1.26 -0.99 116.55 117.16 3jun n ASP 88 Ca -0.07 -0.52 -0.42 0.00 -0.53 0.00 0.00 54.79 53.24 3jun n ASP 88 Cb 0.63 -4.86 -0.03 0.00 -0.64 0.00 0.00 41.12 36.22 3jun n ASP 88 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3jun s ILE 89 N -3.31 4.25 -0.15 0.53 1.01 -1.26 -4.32 121.20 117.95 3jun s ILE 89 Ca 0.54 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.78 3jun s ILE 89 Cb -0.24 -4.02 0.02 0.00 0.01 0.00 0.00 42.46 38.24 3jun s ILE 89 CO 0.70 0.02 -0.15 -1.10 0.00 0.00 0.00 174.94 174.41 3jun s GLN 90 N 2.01 2.35 -0.20 2.79 -0.21 0.07 -5.01 119.66 121.46 3jun s GLN 90 Ca 0.56 -0.58 -0.11 0.00 0.02 0.00 0.00 55.36 55.25 3jun s GLN 90 Cb -0.25 -2.13 -0.05 0.00 1.00 0.00 0.00 33.01 31.58 3jun s GLN 90 CO 0.23 -0.23 0.18 0.42 -2.12 0.00 0.00 175.29 173.78 3jun s ILE 91 N 1.46 5.37 -0.26 1.08 1.01 -1.26 -1.41 121.20 127.18 3jun s ILE 91 Ca 0.05 0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.93 3jun s ILE 91 Cb -0.13 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.82 3jun s ILE 91 CO -0.11 0.40 0.03 -0.36 0.00 0.00 0.00 174.94 174.90 3jun s PHE 92 N 0.56 3.08 0.62 3.97 0.40 0.11 -5.02 117.98 121.69 3jun s PHE 92 Ca 0.10 -0.95 -0.12 0.00 -0.60 0.00 0.00 56.93 55.37 3jun s PHE 92 Cb -0.12 -2.19 -0.04 0.00 0.51 0.00 0.00 43.02 41.19 3jun s PHE 92 CO 0.01 -0.55 1.03 -1.21 0.70 0.00 0.00 175.22 175.20 3jun s GLU 93 N 1.49 3.52 0.34 0.44 2.02 -1.26 -1.74 118.70 123.52 3jun s GLU 93 Ca 0.04 0.82 0.02 0.00 0.02 0.00 0.00 54.97 55.87 3jun s GLU 93 Cb -0.16 -2.07 -0.01 0.00 0.10 0.00 0.00 34.13 31.99 3jun s GLU 93 CO 0.00 -0.63 0.08 0.25 0.02 0.00 0.00 175.26 174.98 3jun n THR 94 N -2.67 0.00 0.28 3.63 -2.24 -1.22 -4.87 114.28 107.19 3jun n THR 94 Ca 0.06 -1.87 0.15 0.00 -2.27 0.00 0.00 64.05 60.12 3jun n THR 94 Cb 0.54 0.58 0.80 0.00 -2.10 0.00 0.00 70.33 70.15 3jun n THR 94 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 3jun h GLN 95 N 0.00 0.00 -5.52 -0.78 -0.00 -1.99 -3.39 115.11 103.43 3jun h GLN 95 Ca -0.27 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 57.77 3jun h GLN 95 Cb 0.97 0.00 -0.11 0.00 -0.00 0.00 0.00 27.48 28.33 3jun h GLN 95 CO 0.44 0.08 0.15 0.34 -0.00 0.00 0.00 178.83 179.84 3jun s ASP 96 N -5.97 6.58 0.55 0.06 -1.08 -1.26 -4.96 116.67 110.59 3jun s ASP 96 Ca -0.03 0.71 0.36 0.00 -0.52 0.00 0.00 52.55 53.07 3jun s ASP 96 Cb 0.13 -2.34 1.71 0.00 -1.46 0.00 0.00 42.92 40.96 3jun s ASP 96 CO 0.55 -0.35 2.08 1.55 0.52 0.00 0.00 175.17 179.51 3jun h PRO 97 N 7.85 0.00 -0.66 4.34 0.13 -1.89 -1.47 132.00 140.30 3jun h PRO 97 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3jun h PRO 97 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3jun h PRO 97 CO 0.77 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.63 3jun n ASN 98 N -2.93 4.79 -3.89 1.44 3.02 -1.26 -4.22 115.26 112.21 3jun n ASN 98 Ca -0.01 -2.47 -0.22 0.00 -0.03 0.00 0.00 54.58 51.86 3jun n ASN 98 Cb 0.19 -0.59 -0.17 0.00 -0.61 0.00 0.00 39.78 38.61 3jun n ASN 98 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3jun s TRP 99 N -1.91 0.88 0.09 3.10 -0.11 -0.55 -0.61 118.94 119.83 3jun s TRP 99 Ca 0.51 -0.29 0.05 0.00 1.22 0.00 0.00 56.10 57.59 3jun s TRP 99 Cb 0.33 -0.78 -0.03 0.00 -1.50 0.00 0.00 33.47 31.49 3jun s TRP 99 CO 0.24 -0.25 -0.13 -0.06 -4.62 0.00 0.00 176.95 172.13 3jun s PHE 100 N 1.10 1.22 0.06 5.86 0.40 -0.17 -3.38 117.98 123.06 3jun s PHE 100 Ca -0.08 -0.52 0.09 0.00 -0.60 0.00 0.00 56.93 55.82 3jun s PHE 100 Cb -0.14 -0.67 -0.03 0.00 0.51 0.00 0.00 43.02 42.69 3jun s PHE 100 CO -0.01 0.07 -0.26 -1.58 0.70 0.00 0.00 175.22 174.14 3jun s TRP 101 N -1.74 2.29 -0.05 0.36 0.52 -0.71 -1.00 118.94 118.61 3jun s TRP 101 Ca 0.02 -0.41 0.04 0.00 0.02 0.00 0.00 56.10 55.78 3jun s TRP 101 Cb -0.07 -1.35 -0.00 0.00 -1.15 0.00 0.00 33.47 30.89 3jun s TRP 101 CO 0.02 0.15 -0.18 0.08 0.02 0.00 0.00 176.95 177.04 3jun s VAL 102 N -0.84 1.50 -0.14 4.03 1.01 -0.29 0.05 120.40 125.72 3jun s VAL 102 Ca 0.12 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 3jun s VAL 102 Cb -0.10 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 3jun s VAL 102 CO 0.03 0.43 -0.09 -0.70 0.00 0.00 0.00 175.10 174.77 3jun s GLU 103 N 0.08 3.50 0.32 2.72 2.12 -0.50 -0.72 118.70 126.22 3jun s GLU 103 Ca -0.05 -0.61 -0.14 0.00 0.36 0.00 0.00 54.97 54.52 3jun s GLU 103 Cb -0.12 -2.75 0.02 0.00 0.26 0.00 0.00 34.13 31.54 3jun s GLU 103 CO 0.03 0.23 0.65 0.00 -0.54 0.00 0.00 175.26 175.63 3jun s ARG 105 N -3.21 2.52 -0.11 0.00 1.81 -0.16 -0.82 118.95 118.98 3jun s ARG 105 Ca 0.18 -1.54 -0.23 0.00 -1.72 0.00 0.00 55.73 52.42 3jun s ARG 105 Cb -0.04 -2.36 0.05 0.00 -0.45 0.00 0.00 34.95 32.16 3jun s ARG 105 CO 0.11 -0.16 0.56 0.20 -0.68 0.00 0.00 175.30 175.33 3jun s GLY 106 N -4.10 -0.43 0.11 -3.53 0.00 -0.78 -1.54 107.32 97.04 3jun s GLY 106 Ca 0.47 1.23 -0.20 0.00 0.00 0.00 0.00 44.72 46.22 3jun s GLY 106 CO 0.27 0.96 0.49 -1.83 0.00 0.00 0.00 173.10 172.99 3jun s GLU 107 N -0.62 1.11 0.00 2.90 -1.05 -0.76 -1.59 118.70 118.69 3jun s GLU 107 Ca -0.07 -0.48 0.00 0.00 -0.15 0.00 0.00 54.97 54.27 3jun s GLU 107 Cb -0.03 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.16 3jun s GLU 107 CO 0.05 -0.44 0.00 0.41 0.95 0.00 0.00 175.26 176.23 3jun n GLY 108 N -0.03 1.45 3.71 -3.83 0.00 -0.39 -2.24 105.19 103.86 3jun n GLY 108 Ca -0.17 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 3jun n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jun n ALA 109 N -0.53 1.34 -3.66 4.61 0.00 -1.26 -0.72 120.51 120.29 3jun n ALA 109 Ca 0.00 0.17 -0.33 0.00 0.00 0.00 0.00 53.44 53.28 3jun n ALA 109 Cb 0.00 -2.30 -0.16 0.00 0.00 0.00 0.00 19.45 16.99 3jun n ALA 109 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3jun s ILE 110 N -1.28 2.24 -0.48 0.00 2.07 -0.56 -4.18 121.20 119.02 3jun s ILE 110 Ca 0.68 -0.91 0.06 0.00 -1.41 0.00 0.00 60.65 59.06 3jun s ILE 110 Cb -0.45 -1.92 0.20 0.00 0.13 0.00 0.00 42.46 40.43 3jun s ILE 110 CO 0.53 0.54 0.47 0.52 -1.91 0.00 0.00 174.94 175.08 3jun n VAL 111 N 4.15 -0.21 -3.40 4.00 0.31 -0.10 -1.31 118.33 121.77 3jun n VAL 111 Ca -0.20 -4.03 -0.30 0.00 -0.01 0.00 0.00 64.34 59.79 3jun n VAL 111 Cb 0.51 -1.88 -0.04 0.00 -0.91 0.00 0.00 33.84 31.52 3jun n VAL 111 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3jun s PHE 112 N -0.86 3.45 0.10 3.52 0.40 -1.26 -4.28 117.98 119.06 3jun s PHE 112 Ca 0.33 0.74 -0.31 0.00 -0.60 0.00 0.00 56.93 57.09 3jun s PHE 112 Cb 0.08 -2.17 -0.10 0.00 0.51 0.00 0.00 43.02 41.35 3jun s PHE 112 CO -0.15 0.23 1.78 -2.14 0.70 0.00 0.00 175.22 175.64 3jun s PRO 113 N -3.15 4.16 0.00 0.24 0.02 -1.26 -2.73 135.00 132.28 3jun s PRO 113 Ca 0.45 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.98 3jun s PRO 113 Cb -0.11 -3.61 0.00 0.00 0.02 0.00 0.00 34.50 30.80 3jun s PRO 113 CO 0.26 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.53 3jun n GLY 114 N 4.16 0.75 3.27 0.52 0.00 -1.26 -5.03 105.19 107.60 3jun n GLY 114 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 3jun n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3jun s TYR 115 N -2.65 1.64 0.38 1.61 1.51 -1.10 -5.12 117.35 113.62 3jun s TYR 115 Ca 0.00 -0.45 -0.28 0.00 -1.01 0.00 0.00 57.07 55.33 3jun s TYR 115 Cb 0.00 -0.88 -0.11 0.00 -0.11 0.00 0.00 41.96 40.86 3jun s TYR 115 CO 0.00 0.19 1.48 -1.25 -1.11 0.00 0.00 175.55 174.86 3jun s PRO 116 N -2.11 4.07 0.36 -1.71 0.04 -1.26 -4.53 135.00 129.86 3jun s PRO 116 Ca 0.07 2.55 -0.28 0.00 0.04 0.00 0.00 61.00 63.37 3jun s PRO 116 Cb -0.09 -2.94 -0.11 0.00 0.04 0.00 0.00 34.50 31.40 3jun s PRO 116 CO 0.04 -0.55 1.49 -2.13 0.04 0.00 0.00 177.00 175.88 3jun n ARG 117 N 0.40 2.63 -2.00 4.56 0.63 -1.26 -4.81 116.66 116.81 3jun n ARG 117 Ca 0.01 0.92 -0.01 0.00 -0.92 0.00 0.00 57.85 57.86 3jun n ARG 117 Cb 0.40 -2.65 -0.00 0.00 0.45 0.00 0.00 32.46 30.65 3jun n ARG 117 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jun n GLY 118 N 0.75 3.80 3.06 5.14 0.00 -0.43 -5.00 105.19 112.51 3jun n GLY 118 Ca 0.03 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 3jun n GLY 118 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3jun s GLN 119 N -2.05 2.54 -0.17 1.61 2.00 -1.26 -1.49 119.66 120.84 3jun s GLN 119 Ca 0.01 -0.79 -0.06 0.00 -2.00 0.00 0.00 55.36 52.52 3jun s GLN 119 Cb 0.00 -2.43 -0.04 0.00 0.80 0.00 0.00 33.01 31.35 3jun s GLN 119 CO 0.01 -0.29 0.03 -0.47 -0.50 0.00 0.00 175.29 174.08 3jun s TYR 120 N 1.35 3.19 0.02 1.67 5.04 0.10 -4.71 117.35 124.01 3jun s TYR 120 Ca 0.03 -0.03 0.01 0.00 -2.44 0.00 0.00 57.07 54.65 3jun s TYR 120 Cb -0.14 -2.03 -0.01 0.00 0.35 0.00 0.00 41.96 40.12 3jun s TYR 120 CO -0.11 0.12 -0.05 -0.98 -1.34 0.00 0.00 175.55 173.19 3jun s ARG 121 N 0.31 0.40 0.29 4.97 1.70 -1.26 -1.27 118.95 124.09 3jun s ARG 121 Ca 0.01 -0.41 -0.12 0.00 -0.47 0.00 0.00 55.73 54.75 3jun s ARG 121 Cb -0.13 -0.27 0.01 0.00 -0.57 0.00 0.00 34.95 33.99 3jun s ARG 121 CO 0.01 0.06 0.54 1.21 -1.08 0.00 0.00 175.30 176.04 3jun s ASN 122 N -0.75 0.13 -0.17 -2.89 3.04 -0.62 -4.82 114.94 108.86 3jun s ASN 122 Ca -0.04 -1.05 -0.07 0.00 0.04 0.00 0.00 52.86 51.74 3jun s ASN 122 Cb -0.05 0.65 -0.04 0.00 -1.54 0.00 0.00 41.25 40.27 3jun s ASN 122 CO -0.00 -1.27 0.05 -2.28 -3.04 0.00 0.00 177.10 170.56 3jun s HIS 123 N -3.56 3.24 0.05 0.43 5.65 -1.26 -1.86 115.29 117.99 3jun s HIS 123 Ca 0.22 0.08 0.06 0.00 0.25 0.00 0.00 55.06 55.67 3jun s HIS 123 Cb -0.02 -2.03 -0.02 0.00 -1.18 0.00 0.00 32.58 29.32 3jun s HIS 123 CO 0.12 0.20 -0.17 -0.06 -0.65 0.00 0.00 174.74 174.18 3jun s PHE 124 N 0.17 1.49 -0.08 3.88 0.40 -0.00 -4.27 117.98 119.58 3jun s PHE 124 Ca 0.04 -0.38 0.05 0.00 -0.60 0.00 0.00 56.93 56.04 3jun s PHE 124 Cb -0.12 -0.87 -0.01 0.00 0.51 0.00 0.00 43.02 42.52 3jun s PHE 124 CO 0.01 0.08 -0.23 -0.51 0.70 0.00 0.00 175.22 175.27 3jun s LEU 125 N -1.30 2.19 -0.04 -0.37 1.43 -0.32 -1.66 118.68 118.62 3jun s LEU 125 Ca 0.04 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 52.72 3jun s LEU 125 Cb -0.09 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.70 3jun s LEU 125 CO 0.02 0.22 -0.25 -1.00 0.23 0.00 0.00 176.35 175.57 3jun s HIS 126 N -0.03 2.40 -0.18 0.29 3.76 0.10 -0.49 115.29 121.15 3jun s HIS 126 Ca -0.07 -0.58 -0.06 0.00 -0.15 0.00 0.00 55.06 54.20 3jun s HIS 126 Cb -0.15 -1.56 -0.03 0.00 1.11 0.00 0.00 32.58 31.95 3jun s HIS 126 CO 0.05 -0.13 0.02 0.45 -0.85 0.00 0.00 174.74 174.29 3jun s SER 127 N -0.38 5.27 -0.16 1.40 0.15 0.04 -1.14 113.70 118.89 3jun s SER 127 Ca 0.03 -0.02 0.01 0.00 0.70 0.00 0.00 55.95 56.67 3jun s SER 127 Cb -0.12 -1.89 0.02 0.00 -1.71 0.00 0.00 66.02 62.32 3jun s SER 127 CO 0.01 0.16 -0.16 -0.36 1.20 0.00 0.00 173.24 174.09 3jun s PHE 128 N 0.44 2.38 -0.09 3.44 0.08 -0.17 -1.31 117.98 122.76 3jun s PHE 128 Ca 0.00 -1.36 0.01 0.00 0.12 0.00 0.00 56.93 55.70 3jun s PHE 128 Cb -0.13 -1.71 -0.02 0.00 -0.57 0.00 0.00 43.02 40.59 3jun s PHE 128 CO 0.01 -0.71 -0.12 1.03 -0.10 0.00 0.00 175.22 175.33 3jun s ARG 129 N 1.40 2.92 0.21 0.44 0.52 0.04 -1.00 118.95 123.48 3jun s ARG 129 Ca 0.05 -0.65 0.08 0.00 -0.52 0.00 0.00 55.73 54.69 3jun s ARG 129 Cb -0.13 -2.54 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 3jun s ARG 129 CO -0.11 0.47 0.02 -0.06 0.02 0.00 0.00 175.30 175.64 3jun s PHE 130 N -0.32 2.84 -0.17 -0.53 0.08 0.22 -0.62 117.98 119.49 3jun s PHE 130 Ca 0.03 -0.15 -0.04 0.00 0.12 0.00 0.00 56.93 56.89 3jun s PHE 130 Cb -0.13 -1.33 0.08 0.00 -0.57 0.00 0.00 43.02 41.07 3jun s PHE 130 CO 0.02 0.55 0.26 -2.00 -0.10 0.00 0.00 175.22 173.95 3jun s GLU 131 N -3.25 0.18 -1.47 0.44 2.12 -0.29 -4.80 118.70 111.64 3jun s GLU 131 Ca 0.29 0.53 -0.02 0.00 0.36 0.00 0.00 54.97 56.13 3jun s GLU 131 Cb -0.08 -0.49 0.00 0.00 0.26 0.00 0.00 34.13 33.82 3jun s GLU 131 CO 0.20 -0.45 0.32 0.09 -0.54 0.00 0.00 175.26 174.87 3jun n ASN 132 N 5.34 -5.54 -0.02 -1.70 3.02 -1.26 -2.40 115.26 112.70 3jun n ASN 132 Ca -0.06 -0.16 -0.00 0.00 -0.03 0.00 0.00 54.58 54.33 3jun n ASN 132 Cb 0.50 -4.46 -0.00 0.00 -0.61 0.00 0.00 39.78 35.20 3jun n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3jun n GLY 133 N -1.27 0.47 3.49 7.41 0.00 -1.26 -5.01 105.19 109.02 3jun n GLY 133 Ca -0.15 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 3jun n GLY 133 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jun s LEU 134 N -0.07 2.53 -0.17 0.99 1.43 -1.01 -4.93 118.68 117.46 3jun s LEU 134 Ca 0.00 -1.27 -0.29 0.00 -1.03 0.00 0.00 54.13 51.54 3jun s LEU 134 Cb 0.00 -0.69 -0.00 0.00 0.03 0.00 0.00 46.19 45.53 3jun s LEU 134 CO 0.00 -0.40 1.08 -0.63 0.23 0.00 0.00 176.35 176.63 3jun s ILE 135 N -2.95 4.60 -0.16 -0.59 1.01 0.56 -1.14 121.20 122.53 3jun s ILE 135 Ca 0.33 1.91 0.11 0.00 0.00 0.00 0.00 60.65 63.00 3jun s ILE 135 Cb 0.06 -4.23 -0.23 0.00 0.01 0.00 0.00 42.46 38.06 3jun s ILE 135 CO 0.15 -0.11 0.20 1.17 0.00 0.00 0.00 174.94 176.35 3jun n LYS 136 N 5.91 0.67 -3.67 2.79 3.00 0.21 -0.09 118.16 126.99 3jun n LYS 136 Ca 0.11 0.12 -0.09 0.00 -0.00 0.00 0.00 58.31 58.46 3jun n LYS 136 Cb 0.47 -1.61 -0.10 0.00 0.00 0.00 0.00 35.03 33.79 3jun n LYS 136 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3jun s GLU 137 N -2.53 0.36 -0.11 1.64 2.12 -0.90 -1.25 118.70 118.03 3jun s GLU 137 Ca -0.14 0.97 0.02 0.00 0.36 0.00 0.00 54.97 56.18 3jun s GLU 137 Cb 0.07 0.22 -0.01 0.00 0.26 0.00 0.00 34.13 34.68 3jun s GLU 137 CO 0.78 -0.22 -0.19 -1.14 -0.54 0.00 0.00 175.26 173.95 3jun s GLN 138 N 2.21 3.19 -0.06 4.30 -0.44 -0.06 -0.78 119.66 128.02 3jun s GLN 138 Ca -0.04 -0.80 0.02 0.00 -2.50 0.00 0.00 55.36 52.04 3jun s GLN 138 Cb -0.11 -2.44 0.02 0.00 -1.64 0.00 0.00 33.01 28.84 3jun s GLN 138 CO -0.13 0.20 -0.09 1.03 0.50 0.00 0.00 175.29 176.80 3jun s ARG 139 N 0.33 1.30 -0.17 1.67 0.52 -0.43 -2.45 118.95 119.73 3jun s ARG 139 Ca -0.15 -0.27 -0.09 0.00 -0.52 0.00 0.00 55.73 54.70 3jun s ARG 139 Cb -0.17 -1.16 -0.05 0.00 0.52 0.00 0.00 34.95 34.10 3jun s ARG 139 CO 0.08 -0.03 0.13 -2.00 0.02 0.00 0.00 175.30 173.49 3jun s GLU 140 N 0.81 3.91 -0.12 3.54 2.12 -0.69 -0.78 118.70 127.50 3jun s GLU 140 Ca -0.12 -0.20 0.02 0.00 0.36 0.00 0.00 54.97 55.02 3jun s GLU 140 Cb -0.15 -3.33 0.02 0.00 0.26 0.00 0.00 34.13 30.93 3jun s GLU 140 CO 0.02 0.46 -0.16 -0.06 -0.54 0.00 0.00 175.26 174.98 3jun s PHE 141 N -0.12 2.12 0.26 5.30 0.40 0.36 -0.67 117.98 125.64 3jun s PHE 141 Ca 0.10 -1.05 0.01 0.00 -0.60 0.00 0.00 56.93 55.39 3jun s PHE 141 Cb -0.11 -1.52 -0.00 0.00 0.51 0.00 0.00 43.02 41.89 3jun s PHE 141 CO 0.00 -0.54 0.32 0.00 0.70 0.00 0.00 175.22 175.71 3jun n MET 142 N 4.30 0.47 -3.24 0.44 0.00 -1.26 -1.17 117.12 116.65 3jun n MET 142 Ca -0.19 -2.28 -0.44 0.00 0.00 0.00 0.00 57.70 54.79 3jun n MET 142 Cb 0.51 2.08 -0.07 0.00 0.00 0.00 0.00 33.22 35.74 3jun n MET 142 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 3jun s ASN 143 N -2.70 6.20 0.61 3.17 3.84 -1.26 -4.82 114.94 119.97 3jun s ASN 143 Ca 0.25 -1.06 0.36 0.00 0.21 0.00 0.00 52.86 52.62 3jun s ASN 143 Cb -0.00 -2.25 1.97 0.00 -0.55 0.00 0.00 41.25 40.41 3jun s ASN 143 CO 0.18 -0.80 2.25 -0.65 -2.79 0.00 0.00 177.10 175.29 3jun h PRO 144 N 8.91 0.00 -0.66 0.43 0.11 -1.96 -2.64 132.00 136.18 3jun h PRO 144 Ca -0.28 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.90 3jun h PRO 144 Cb 1.10 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 3jun h PRO 144 CO 0.93 0.02 0.44 0.00 -0.21 0.00 0.00 178.00 179.18 3jun h GLU 146 N 0.65 0.31 -0.12 0.00 4.39 -1.83 -2.10 114.58 115.88 3jun h GLU 146 Ca 0.29 -0.11 -0.16 0.00 0.34 0.00 0.00 59.36 59.73 3jun h GLU 146 Cb 0.30 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3jun h GLU 146 CO -0.09 0.54 -0.53 0.37 -1.16 0.00 0.00 179.01 178.14 3jun h GLN 147 N 0.28 0.57 -0.57 2.33 4.15 -1.36 -2.63 115.11 117.88 3jun h GLN 147 Ca 0.04 -0.45 0.11 0.00 0.77 0.00 0.00 58.65 59.12 3jun h GLN 147 Cb 0.60 0.09 -0.11 0.00 0.21 0.00 0.00 27.48 28.27 3jun h GLN 147 CO 0.04 1.08 -0.17 0.74 -1.93 0.00 0.00 178.83 178.59 3jun h PHE 148 N 0.20 -0.40 -0.91 3.99 0.04 -0.85 -2.26 116.94 116.76 3jun h PHE 148 Ca -0.03 0.05 0.03 0.00 2.80 0.00 0.00 57.97 60.82 3jun h PHE 148 Cb 1.17 0.26 -0.05 0.00 2.20 0.00 0.00 35.95 39.53 3jun h PHE 148 CO 0.11 -0.27 0.60 0.00 -0.60 0.00 0.00 178.31 178.14 3jun h ARG 149 N -0.03 1.14 0.00 1.51 3.08 -1.30 -0.82 114.38 117.96 3jun h ARG 149 Ca 0.27 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.22 3jun h ARG 149 Cb 0.45 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3jun h ARG 149 CO -0.61 0.75 -0.17 0.66 -1.07 0.00 0.00 179.97 179.54 3jun h SER 150 N 1.17 0.00 -0.38 7.04 4.64 -1.04 -2.41 113.55 122.57 3jun h SER 150 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3jun h SER 150 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3jun h SER 150 CO -0.10 0.17 0.00 0.18 -0.87 0.00 0.00 176.83 176.21 3jun n LEU 151 N -4.01 3.34 -0.42 5.97 4.77 -0.50 -4.28 117.00 121.87 3jun n LEU 151 Ca -0.02 -1.44 -0.06 0.00 -0.03 0.00 0.00 56.01 54.46 3jun n LEU 151 Cb 0.25 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3jun n LEU 151 CO 0.34 0.72 -0.05 0.61 -1.33 0.00 0.00 177.39 177.68 3jun n GLY 152 N 1.49 0.81 3.73 -0.72 0.00 -0.91 -4.51 105.19 105.08 3jun n GLY 152 Ca 0.19 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 3jun n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jun s ILE 153 N -2.19 5.14 0.22 -0.61 1.01 -0.43 -5.02 121.20 119.31 3jun s ILE 153 Ca 0.00 1.01 -0.31 0.00 0.00 0.00 0.00 60.65 61.35 3jun s ILE 153 Cb 0.00 -3.84 -0.11 0.00 0.01 0.00 0.00 42.46 38.52 3jun s ILE 153 CO 0.00 0.35 1.64 -0.70 0.00 0.00 0.00 174.94 176.22 3jun s GLU 154 N 0.44 4.16 -0.20 2.79 2.12 -1.26 -4.09 118.70 122.66 3jun s GLU 154 Ca 0.27 2.51 -0.06 0.00 0.36 0.00 0.00 54.97 58.05 3jun s GLU 154 Cb -0.16 -3.09 -0.03 0.00 0.26 0.00 0.00 34.13 31.11 3jun s GLU 154 CO 0.12 -0.67 0.04 0.08 -0.54 0.00 0.00 175.26 174.29 3jun s VAL 155 N 0.86 4.37 0.83 3.70 1.01 -1.26 -5.04 120.40 124.88 3jun s VAL 155 Ca 0.70 -0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.40 3jun s VAL 155 Cb -0.47 -2.98 0.09 0.00 0.00 0.00 0.00 36.38 33.02 3jun s VAL 155 CO 0.36 0.43 1.12 -2.16 0.00 0.00 0.00 175.10 174.84 3jun s PRO 156 N 0.82 1.71 -0.15 2.72 0.04 -1.26 -5.02 135.00 133.85 3jun s PRO 156 Ca 0.02 1.38 0.01 0.00 0.04 0.00 0.00 61.00 62.45 3jun s PRO 156 Cb -0.14 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3jun s PRO 156 CO 0.02 -2.09 -0.18 -1.21 0.04 0.00 0.00 177.00 173.58 3jun s GLU 157 N -4.71 3.14 -0.23 4.56 2.02 -1.26 -5.09 118.70 117.14 3jun s GLU 157 Ca 0.65 -0.79 -0.23 0.00 0.02 0.00 0.00 54.97 54.62 3jun s GLU 157 Cb -0.20 -2.55 -0.01 0.00 0.10 0.00 0.00 34.13 31.46 3jun s GLU 157 CO 0.56 0.01 0.73 0.08 0.02 0.00 0.00 175.26 176.65 3jun s VAL 158 N 0.81 4.93 -0.14 2.63 1.01 -1.26 -4.99 120.40 123.39 3jun s VAL 158 Ca -0.06 1.36 -0.29 0.00 0.00 0.00 0.00 61.98 63.00 3jun s VAL 158 Cb -0.15 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 3jun s VAL 158 CO -0.01 0.01 2.01 -0.13 0.00 0.00 0.00 175.10 176.98 3jun s ARG 159 N 2.44 3.60 0.00 2.72 0.52 -1.26 -4.86 118.95 122.11 3jun s ARG 159 Ca 0.31 2.13 0.00 0.00 -0.52 0.00 0.00 55.73 57.65 3jun s ARG 159 Cb -0.16 -4.23 0.00 0.00 0.52 0.00 0.00 34.95 31.08 3jun s ARG 159 CO 0.09 -1.56 0.00 0.54 0.02 0.00 0.00 175.30 174.39 3jun n ARG 160 N 8.14 5.94 0.00 3.54 1.74 -1.26 -5.01 116.66 129.74 3jun n ARG 160 Ca 0.24 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 3jun n ARG 160 Cb 0.44 -0.55 0.00 0.00 -1.02 0.00 0.00 32.46 31.32 3jun n ARG 160 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3jun n ASP 161 N -1.04 0.00 0.00 0.55 2.03 -1.26 -5.37 116.55 111.46 3jun n ASP 161 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3jun n ASP 161 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3jun n ASP 161 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89