#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jun n ASN 9 N 0.00 5.05 -4.65 4.31 5.15 -1.26 -4.76 115.26 119.10 3jun n ASN 9 Ca 0.00 -2.98 -0.23 0.00 -0.60 0.00 0.00 54.58 50.77 3jun n ASN 9 Cb 0.00 -1.61 -0.07 0.00 -0.53 0.00 0.00 39.78 37.57 3jun n ASN 9 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3jun s THR 10 N 2.14 3.31 0.32 -0.44 -4.23 -1.26 -5.03 115.64 110.45 3jun s THR 10 Ca 0.45 -1.91 0.04 0.00 -1.18 0.00 0.00 61.69 59.09 3jun s THR 10 Cb 0.02 -2.84 0.29 0.00 1.34 0.00 0.00 72.50 71.31 3jun s THR 10 CO 0.02 -0.34 1.88 0.77 -0.54 0.00 0.00 174.62 176.40 3jun h SER 11 N 1.86 0.82 0.01 3.99 4.64 -1.99 -0.46 113.55 122.42 3jun h SER 11 Ca -0.44 0.03 -0.19 0.00 -0.47 0.00 0.00 61.79 60.72 3jun h SER 11 Cb 1.25 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3jun h SER 11 CO 0.61 0.47 -0.66 -0.08 -0.87 0.00 0.00 176.83 176.30 3jun h GLU 12 N 0.90 0.61 -0.06 4.77 4.57 -1.96 -0.04 114.58 123.37 3jun h GLU 12 Ca 0.43 -0.45 -0.17 0.00 -1.18 0.00 0.00 59.36 57.99 3jun h GLU 12 Cb 0.44 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 3jun h GLU 12 CO -0.19 1.07 -0.70 -0.91 -1.18 0.00 0.00 179.01 177.09 3jun h ASN 13 N 0.44 0.35 -0.52 1.04 2.35 -1.74 -2.18 115.58 115.32 3jun h ASN 13 Ca -0.02 -0.23 -0.10 0.00 -0.55 0.00 0.00 56.30 55.41 3jun h ASN 13 Cb 1.24 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.49 3jun h ASN 13 CO 0.13 0.94 -0.04 0.03 -1.65 0.00 0.00 177.43 176.83 3jun h ARG 14 N 0.20 0.98 -0.47 0.81 3.08 -0.94 -1.15 114.38 116.88 3jun h ARG 14 Ca -0.02 -0.32 -0.07 0.00 0.07 0.00 0.00 59.98 59.64 3jun h ARG 14 Cb 1.26 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 3jun h ARG 14 CO 0.11 0.99 0.01 0.00 -1.07 0.00 0.00 179.97 180.02 3jun h ALA 15 N 1.05 0.64 -0.51 0.04 0.00 -0.88 0.17 119.26 119.77 3jun h ALA 15 Ca 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3jun h ALA 15 Cb 0.58 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3jun h ALA 15 CO 0.03 0.42 0.26 1.96 0.00 0.00 0.00 179.25 181.93 3jun h GLN 16 N 0.68 0.73 -0.53 0.00 4.20 -1.04 -0.08 115.11 119.06 3jun h GLN 16 Ca 0.14 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 3jun h GLN 16 Cb 0.48 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3jun h GLN 16 CO 0.02 0.59 0.27 0.28 -0.67 0.00 0.00 178.83 179.32 3jun h VAL 17 N 0.68 1.19 -0.66 -0.54 2.07 -1.13 -0.29 116.25 117.57 3jun h VAL 17 Ca 0.18 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 3jun h VAL 17 Cb 0.09 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3jun h VAL 17 CO -0.03 0.21 0.23 0.00 0.02 0.00 0.00 177.57 178.00 3jun h ALA 18 N 1.11 0.87 -0.29 1.67 0.00 -0.47 -0.39 119.26 121.76 3jun h ALA 18 Ca 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3jun h ALA 18 Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3jun h ALA 18 CO -0.03 0.52 0.15 0.00 0.00 0.00 0.00 179.25 179.90 3jun h ALA 19 N 1.10 0.37 -0.94 0.00 0.00 -0.74 -0.90 119.26 118.14 3jun h ALA 19 Ca 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3jun h ALA 19 Cb 0.27 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3jun h ALA 19 CO -0.01 -0.09 0.55 -0.09 0.00 0.00 0.00 179.25 179.61 3jun h ARG 20 N 0.34 1.28 -0.37 0.00 2.43 -0.82 0.41 114.38 117.66 3jun h ARG 20 Ca 0.10 -0.13 -0.15 0.00 -0.81 0.00 0.00 59.98 59.00 3jun h ARG 20 Cb 0.08 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 3jun h ARG 20 CO -0.01 0.91 -0.35 0.37 -1.51 0.00 0.00 179.97 179.38 3jun h GLN 21 N 1.30 0.85 -0.10 0.20 4.15 -0.75 -0.52 115.11 120.23 3jun h GLN 21 Ca 0.33 -0.42 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 3jun h GLN 21 Cb -0.03 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.66 3jun h GLN 21 CO -0.06 1.06 -0.09 1.25 -1.93 0.00 0.00 178.83 179.06 3jun h HIS 22 N 0.70 0.29 -0.75 3.99 2.76 -0.72 -2.77 115.15 118.65 3jun h HIS 22 Ca 0.07 -0.08 0.06 0.00 -2.20 0.00 0.00 60.37 58.21 3jun h HIS 22 Cb 0.91 -0.06 -0.06 0.00 1.55 0.00 0.00 27.41 29.75 3jun h HIS 22 CO 0.05 0.65 0.45 -0.91 -1.30 0.00 0.00 177.93 176.87 3jun h ASN 23 N -0.16 0.69 -0.76 3.26 2.35 -0.84 -2.29 115.58 117.83 3jun h ASN 23 Ca 0.02 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 3jun h ASN 23 Cb 0.60 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 3jun h ASN 23 CO 0.02 0.45 0.49 -0.09 -1.65 0.00 0.00 177.43 176.65 3jun h ARG 24 N 0.82 0.94 -0.74 0.81 2.43 -1.02 -0.38 114.38 117.25 3jun h ARG 24 Ca 0.33 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.48 3jun h ARG 24 Cb 0.16 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 3jun h ARG 24 CO -0.17 0.62 0.49 0.87 -1.51 0.00 0.00 179.97 180.27 3jun h LYS 25 N 0.97 0.87 -0.47 0.20 1.79 -1.18 0.37 116.57 119.12 3jun h LYS 25 Ca 0.30 -0.05 -0.14 0.00 -2.18 0.00 0.00 60.65 58.58 3jun h LYS 25 Cb -0.03 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.41 3jun h LYS 25 CO -0.09 0.58 -0.25 0.82 -1.08 0.00 0.00 179.45 179.43 3jun h ILE 26 N 0.90 1.27 -0.55 1.86 1.08 -0.69 -0.54 117.51 120.84 3jun h ILE 26 Ca 0.29 -1.41 -0.05 0.00 -0.39 0.00 0.00 64.86 63.30 3jun h ILE 26 Cb 0.06 1.16 -0.02 0.00 -3.07 0.00 0.00 36.82 34.95 3jun h ILE 26 CO -0.08 0.49 0.15 0.58 -0.69 0.00 0.00 178.15 178.59 3jun h VAL 27 N 0.84 1.24 -0.40 1.67 2.07 -0.61 -0.14 116.25 120.93 3jun h VAL 27 Ca 0.10 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.80 3jun h VAL 27 Cb 0.83 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 3jun h VAL 27 CO 0.07 0.31 0.24 -0.08 0.02 0.00 0.00 177.57 178.13 3jun h GLU 28 N 0.77 0.46 -0.61 1.57 4.57 -0.76 -1.34 114.58 119.24 3jun h GLU 28 Ca 0.17 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 3jun h GLU 28 Cb 0.31 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 3jun h GLU 28 CO -0.00 0.31 0.35 0.37 -1.18 0.00 0.00 179.01 178.85 3jun h GLN 29 N 0.48 0.85 0.01 1.92 4.15 -0.64 -2.19 115.11 119.68 3jun h GLN 29 Ca 0.16 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3jun h GLN 29 Cb 0.00 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 3jun h GLN 29 CO -0.07 0.63 -0.02 -0.92 -1.93 0.00 0.00 178.83 176.52 3jun h TYR 30 N 0.83 -0.06 0.00 3.99 3.20 -0.70 -2.09 116.97 122.14 3jun h TYR 30 Ca 0.22 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 3jun h TYR 30 Cb 0.02 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 3jun h TYR 30 CO -0.01 -0.04 -0.12 0.52 -1.64 0.00 0.00 178.16 176.87 3jun h MET 31 N -0.05 0.00 -0.15 1.82 2.86 -1.07 -2.83 114.93 115.52 3jun h MET 31 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3jun h MET 31 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3jun h MET 31 CO -0.02 0.12 0.00 0.72 1.06 0.00 0.00 176.91 178.79 3jun n HIS 32 N -3.33 0.17 -2.32 -0.22 8.25 -0.84 -4.58 115.22 112.34 3jun n HIS 32 Ca -0.00 -0.08 -0.42 0.00 -0.26 0.00 0.00 57.72 56.95 3jun n HIS 32 Cb 0.33 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.41 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 -1.83 3.95 0.11 1.59 2.01 -0.81 -5.00 115.64 115.65 3jun s THR 33 Ca 0.33 1.30 0.01 0.00 0.31 0.00 0.00 61.69 63.64 3jun s THR 33 Cb 0.21 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 3jun s THR 33 CO 0.31 -0.01 -0.02 -0.13 -0.69 0.00 0.00 174.62 174.08 3jun s ARG 34 N 2.38 0.87 4.69 4.92 0.52 -1.26 -4.83 118.95 126.23 3jun s ARG 34 Ca 0.60 -1.37 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 3jun s ARG 34 Cb -0.28 -0.06 0.00 0.00 0.52 0.00 0.00 34.95 35.13 3jun s ARG 34 CO 0.24 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.87 3jun n GLY 35 N -0.07 2.69 0.25 -3.53 0.00 -1.26 -2.29 105.19 100.99 3jun n GLY 35 Ca -0.10 -0.29 0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 1.61 4.39 -1.99 0.53 114.58 119.12 3jun h GLU 36 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 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 -0.05 0.00 -1.16 0.00 0.00 179.01 177.80 3jun h ALA 37 N 2.05 1.19 0.00 3.43 0.00 -1.87 -1.94 119.26 122.13 3jun h ALA 37 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3jun h ALA 37 Cb 0.37 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3jun h ALA 37 CO 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 179.25 179.29 3jun h ARG 38 N 0.00 0.00 0.00 0.00 3.08 -0.99 -1.29 114.38 115.18 3jun h ARG 38 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3jun h ARG 38 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3jun h ARG 38 CO 0.01 0.01 0.00 1.28 -1.07 0.00 0.00 179.97 180.20 3jun n LEU 39 N -4.16 0.36 -0.45 3.04 4.77 -0.73 -2.83 117.00 117.01 3jun n LEU 39 Ca -0.03 0.61 0.04 0.00 -0.03 0.00 0.00 56.01 56.60 3jun n LEU 39 Cb 0.10 -0.58 0.09 0.00 -2.33 0.00 0.00 43.42 40.70 3jun n LEU 39 CO 0.31 -0.50 0.51 0.29 -1.33 0.00 0.00 177.39 176.67 3jun n LYS 40 N -1.92 1.72 0.23 3.23 5.02 -0.49 -4.63 118.16 121.32 3jun n LYS 40 Ca 0.02 -1.54 0.09 0.00 -2.02 0.00 0.00 58.31 54.86 3jun n LYS 40 Cb 0.16 -1.20 0.58 0.00 -0.02 0.00 0.00 35.03 34.55 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 1.69 0.00 -0.04 1.97 2.43 -1.48 -1.83 114.38 117.12 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 0.55 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3jun h ARG 41 CO 0.00 0.20 0.09 1.12 -1.51 0.00 0.00 179.97 179.87 3jun h HIS 42 N 0.00 0.00 0.00 2.20 2.07 -1.82 -1.68 115.15 115.92 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 0.47 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.45 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 -3.39 0.39 0.00 6.12 4.77 -0.69 -2.23 117.00 121.98 3jun n LEU 43 Ca -0.02 0.61 0.15 0.00 -0.03 0.00 0.00 56.01 56.72 3jun n LEU 43 Cb 0.17 -0.58 0.73 0.00 -2.33 0.00 0.00 43.42 41.41 3jun n LEU 43 CO 0.22 -0.51 1.01 0.18 -1.33 0.00 0.00 177.39 176.96 3jun n LEU 44 N -1.95 0.00 -4.95 2.23 4.77 -0.63 -4.87 117.00 111.60 3jun n LEU 44 Ca 0.02 0.34 -0.24 0.00 -0.03 0.00 0.00 56.01 56.09 3jun n LEU 44 Cb 0.17 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.90 3jun n LEU 44 CO 0.15 -0.00 0.05 -0.36 -1.33 0.00 0.00 177.39 175.89 3jun s PHE 45 N -2.67 3.48 0.66 -1.77 0.08 -0.95 -0.69 117.98 116.12 3jun s PHE 45 Ca 0.25 0.21 -0.14 0.00 0.12 0.00 0.00 56.93 57.37 3jun s PHE 45 Cb 0.20 -1.76 -0.00 0.00 -0.57 0.00 0.00 43.02 40.88 3jun s PHE 45 CO 0.48 0.32 1.09 0.95 -0.10 0.00 0.00 175.22 177.96 3jun s THR 46 N -2.04 3.43 0.31 0.64 -4.23 0.17 -4.70 115.64 109.22 3jun s THR 46 Ca 0.37 0.63 0.07 0.00 -1.18 0.00 0.00 61.69 61.58 3jun s THR 46 Cb -0.10 -3.16 0.30 0.00 1.34 0.00 0.00 72.50 70.88 3jun s THR 46 CO 0.31 -0.45 1.76 -0.08 -0.54 0.00 0.00 174.62 175.62 3jun h GLU 47 N -0.07 0.68 -0.50 3.99 4.81 -1.96 -0.71 114.58 120.82 3jun h GLU 47 Ca -0.46 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 58.64 3jun h GLU 47 Cb 1.24 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.41 3jun h GLU 47 CO 0.55 0.45 0.09 -0.40 -0.73 0.00 0.00 179.01 178.96 3jun n ASP 48 N -4.81 4.48 -4.78 1.04 3.85 -1.26 -0.67 116.55 114.40 3jun n ASP 48 Ca 0.25 -3.15 -0.32 0.00 -0.71 0.00 0.00 54.79 50.86 3jun n ASP 48 Cb 0.63 -0.65 0.06 0.00 -1.35 0.00 0.00 41.12 39.81 3jun n ASP 48 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3jun s GLY 49 N -1.45 1.91 -0.02 6.12 0.00 -0.27 -4.33 107.32 109.29 3jun s GLY 49 Ca 0.50 0.35 0.06 0.00 0.00 0.00 0.00 44.72 45.63 3jun s GLY 49 CO 0.11 0.69 -0.19 0.14 0.00 0.00 0.00 173.10 173.85 3jun s VAL 50 N -2.66 1.50 0.12 1.40 1.01 -0.64 0.17 120.40 121.30 3jun s VAL 50 Ca 0.63 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.81 3jun s VAL 50 Cb -0.18 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3jun s VAL 50 CO 0.48 0.42 -0.02 -0.83 0.00 0.00 0.00 175.10 175.15 3jun s GLY 51 N -0.39 0.92 0.00 4.51 0.00 -0.79 -0.78 107.32 110.80 3jun s GLY 51 Ca 0.06 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.35 3jun s GLY 51 CO -0.00 -1.45 0.00 0.61 0.00 0.00 0.00 173.10 172.26 3jun n GLY 52 N -0.10 -0.32 3.24 0.20 0.00 -1.06 -0.42 105.19 106.73 3jun n GLY 52 Ca -0.09 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 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 2.73 0.01 0.99 2.96 -0.55 -1.22 118.68 123.59 3jun s LEU 53 Ca 0.00 -0.53 0.23 0.00 -0.22 0.00 0.00 54.13 53.61 3jun s LEU 53 Cb 0.00 -1.66 0.14 0.00 0.50 0.00 0.00 46.19 45.17 3jun s LEU 53 CO 0.00 -0.03 1.14 0.79 -1.32 0.00 0.00 176.35 176.93 3jun n TRP 54 N 4.73 0.05 -4.01 5.38 8.01 0.37 -0.77 117.44 131.21 3jun n TRP 54 Ca -0.19 0.01 -0.32 0.00 -1.31 0.00 0.00 57.50 55.70 3jun n TRP 54 Cb 0.50 -0.19 -0.15 0.00 -2.01 0.00 0.00 31.31 29.46 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 -3.04 2.36 0.27 -0.99 -4.23 -1.25 -4.44 115.64 104.32 3jun s THR 55 Ca 0.08 -2.19 0.05 0.00 -1.18 0.00 0.00 61.69 58.46 3jun s THR 55 Cb 0.16 -2.67 -0.06 0.00 1.34 0.00 0.00 72.50 71.28 3jun s THR 55 CO 0.78 -0.50 -0.03 0.42 -0.54 0.00 0.00 174.62 174.75 3jun s THR 56 N 0.96 1.42 0.54 3.99 -4.23 -1.26 -4.71 115.64 112.34 3jun s THR 56 Ca 0.07 -2.08 0.21 0.00 -1.18 0.00 0.00 61.69 58.71 3jun s THR 56 Cb -0.19 -2.45 0.32 0.00 1.34 0.00 0.00 72.50 71.51 3jun s THR 56 CO -0.07 -0.28 2.11 -2.24 -0.54 0.00 0.00 174.62 173.60 3jun h ASP 57 N 2.32 0.00 1.53 3.99 3.04 -1.94 -2.17 116.42 123.18 3jun h ASP 57 Ca -0.40 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.36 3jun h ASP 57 Cb 1.23 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.52 3jun h ASP 57 CO 0.67 0.00 -0.18 0.77 -2.04 0.00 0.00 179.24 178.46 3jun h SER 58 N 0.00 0.00 0.00 4.15 4.64 -2.01 -3.47 113.55 116.86 3jun h SER 58 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3jun h SER 58 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3jun h SER 58 CO -0.00 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 3jun n GLY 59 N 0.81 1.21 3.66 -0.77 0.00 -0.82 -5.05 105.19 104.24 3jun n GLY 59 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.55 2.82 0.54 1.61 -1.52 -1.26 -4.90 119.66 116.40 3jun s GLN 60 Ca 0.00 -0.54 -0.21 0.00 -1.95 0.00 0.00 55.36 52.65 3jun s GLN 60 Cb 0.00 -2.68 -0.05 0.00 -0.22 0.00 0.00 33.01 30.06 3jun s GLN 60 CO 0.00 0.65 1.28 -2.14 -0.25 0.00 0.00 175.29 174.83 3jun s PRO 61 N -1.20 3.24 -0.54 2.91 0.02 -1.26 -4.55 135.00 133.62 3jun s PRO 61 Ca 0.16 2.04 -0.16 0.00 0.02 0.00 0.00 61.00 63.06 3jun s PRO 61 Cb -0.11 -2.22 0.12 0.00 0.02 0.00 0.00 34.50 32.32 3jun s PRO 61 CO 0.06 -1.05 0.51 0.42 -0.33 0.00 0.00 177.00 176.61 3jun s ILE 62 N -1.42 5.17 -0.21 2.83 1.01 0.05 -5.00 121.20 123.63 3jun s ILE 62 Ca 0.71 -1.42 -0.06 0.00 0.00 0.00 0.00 60.65 59.88 3jun s ILE 62 Cb -0.36 -4.34 -0.03 0.00 0.01 0.00 0.00 42.46 37.75 3jun s ILE 62 CO 0.41 -0.88 0.03 0.00 0.00 0.00 0.00 174.94 174.51 3jun s ALA 63 N 1.71 3.13 -0.32 9.38 0.00 -1.26 -1.48 121.76 132.92 3jun s ALA 63 Ca 0.04 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 50.90 3jun s ALA 63 Cb -0.29 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 3jun s ALA 63 CO 0.04 -0.20 0.19 0.42 0.00 0.00 0.00 175.76 176.21 3jun s ILE 64 N 1.08 5.00 -0.24 0.00 1.01 0.44 -4.97 121.20 123.51 3jun s ILE 64 Ca 0.03 -0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 3jun s ILE 64 Cb -0.14 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 3jun s ILE 64 CO 0.02 0.07 0.06 -0.60 0.00 0.00 0.00 174.94 174.49 3jun s ARG 65 N 1.68 3.65 0.00 2.79 3.52 -1.26 -1.88 118.95 127.45 3jun s ARG 65 Ca 0.06 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.17 3jun s ARG 65 Cb -0.17 -3.28 0.00 0.00 -1.56 0.00 0.00 34.95 29.94 3jun s ARG 65 CO 0.09 -0.15 0.00 0.41 -0.81 0.00 0.00 175.30 174.84 3jun n GLY 66 N 4.80 2.69 0.24 8.12 0.00 0.12 -4.55 105.19 116.61 3jun n GLY 66 Ca -0.16 -1.57 0.02 0.00 0.00 0.00 0.00 46.02 44.30 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 0.15 -0.18 1.61 2.43 -1.01 -0.78 114.38 116.60 3jun h ARG 67 Ca 0.00 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 3jun h ARG 67 Cb 0.00 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3jun h ARG 67 CO 0.00 0.10 -0.51 0.93 -1.51 0.00 0.00 179.97 178.98 3jun h GLU 68 N 0.16 0.50 -0.62 0.20 4.39 -1.91 -2.12 114.58 115.18 3jun h GLU 68 Ca 0.33 -0.29 0.02 0.00 0.34 0.00 0.00 59.36 59.76 3jun h GLU 68 Cb 0.54 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.18 3jun h GLU 68 CO -0.51 0.89 0.39 0.87 -1.16 0.00 0.00 179.01 179.50 3jun h LYS 69 N 0.39 0.76 -0.84 2.33 1.79 -1.73 -1.31 116.57 117.96 3jun h LYS 69 Ca 0.01 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 3jun h LYS 69 Cb 1.03 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 31.47 3jun h LYS 69 CO 0.09 0.51 0.48 -0.07 -1.08 0.00 0.00 179.45 179.38 3jun h LEU 70 N 0.79 1.02 -0.65 2.94 3.38 -0.84 -0.97 115.31 120.98 3jun h LEU 70 Ca 0.24 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3jun h LEU 70 Cb -0.03 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3jun h LEU 70 CO -0.08 0.80 0.20 1.23 0.09 0.00 0.00 178.44 180.69 3jun h GLY 71 N 1.18 1.09 0.97 0.83 0.00 -0.95 -1.53 103.07 104.66 3jun h GLY 71 Ca 0.30 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 3jun h GLY 71 CO -0.05 0.60 0.21 0.83 0.00 0.00 0.00 176.54 178.14 3jun h GLU 72 N 0.94 0.69 0.00 4.80 5.08 -0.77 -2.83 114.58 122.48 3jun h GLU 72 Ca 0.21 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3jun h GLU 72 Cb 0.30 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3jun h GLU 72 CO -0.01 0.60 -0.18 0.45 -1.00 0.00 0.00 179.01 178.87 3jun h HIS 73 N 0.62 0.00 -0.01 4.33 3.86 -0.89 -2.47 115.15 120.59 3jun h HIS 73 Ca 0.16 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.31 3jun h HIS 73 Cb 0.14 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 3jun h HIS 73 CO -0.00 0.18 -0.27 0.00 0.86 0.00 0.00 177.93 178.70 3jun h ALA 74 N 1.82 1.53 -0.41 2.45 0.00 -1.03 -1.86 119.26 121.76 3jun h ALA 74 Ca -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3jun h ALA 74 Cb 0.52 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3jun h ALA 74 CO 0.02 0.35 0.15 0.28 0.00 0.00 0.00 179.25 180.06 3jun h VAL 75 N 0.02 1.20 -0.59 0.00 2.07 -1.45 -1.79 116.25 115.72 3jun h VAL 75 Ca 0.00 -0.65 -0.10 0.00 0.82 0.00 0.00 66.70 66.77 3jun h VAL 75 Cb 0.49 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3jun h VAL 75 CO 0.04 0.23 -0.03 -0.50 0.02 0.00 0.00 177.57 177.33 3jun h TRP 76 N 0.53 1.16 0.00 1.57 6.55 -1.54 -2.89 115.95 121.32 3jun h TRP 76 Ca 0.14 -0.21 -0.02 0.00 0.95 0.00 0.00 58.89 59.75 3jun h TRP 76 Cb 0.21 -0.30 -0.00 0.00 -0.86 0.00 0.00 29.16 28.21 3jun h TRP 76 CO 0.00 1.04 -0.08 0.77 -1.05 0.00 0.00 178.44 179.12 3jun h SER 77 N 0.95 0.00 0.59 -3.49 0.02 -1.23 -0.86 113.55 109.52 3jun h SER 77 Ca 0.16 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 3jun h SER 77 Cb 0.59 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 3jun h SER 77 CO 0.04 0.08 -0.29 0.25 -1.14 0.00 0.00 176.83 175.76 3jun h LEU 78 N 0.00 0.00 0.19 5.07 5.85 -1.11 0.35 115.31 125.66 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 0.74 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.79 3jun h LEU 78 CO 0.01 0.29 -1.42 0.06 -0.34 0.00 0.00 178.44 177.05 3jun h GLN 79 N 0.00 0.40 -0.51 1.25 3.07 -1.36 -3.23 115.11 114.73 3jun h GLN 79 Ca -0.00 -0.68 -0.06 0.00 0.09 0.00 0.00 58.65 58.00 3jun h GLN 79 Cb 0.67 0.25 -0.02 0.00 0.08 0.00 0.00 27.48 28.46 3jun h GLN 79 CO 0.04 1.33 0.07 0.00 0.09 0.00 0.00 178.83 180.35 3jun n PHE 81 N -4.25 0.93 0.42 0.00 3.01 0.12 -1.33 117.46 116.37 3jun n PHE 81 Ca 0.03 -3.75 0.13 0.00 1.01 0.00 0.00 57.45 54.88 3jun n PHE 81 Cb 0.26 -0.16 0.47 0.00 -0.01 0.00 0.00 39.48 40.03 3jun n PHE 81 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3jun h PRO 82 N 5.31 0.00 0.00 -1.08 0.13 -1.69 -3.23 132.00 131.44 3jun h PRO 82 Ca 0.21 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.26 3jun h PRO 82 Cb 0.83 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.81 3jun h PRO 82 CO 0.53 0.00 -0.67 -0.40 -0.23 0.00 0.00 178.00 177.23 3jun n ASP 83 N -2.49 0.78 -4.72 1.44 5.68 -1.26 -4.91 116.55 111.07 3jun n ASP 83 Ca 0.03 -2.28 -0.43 0.00 -0.50 0.00 0.00 54.79 51.62 3jun n ASP 83 Cb 0.34 -0.29 -0.02 0.00 -1.14 0.00 0.00 41.12 40.01 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 -0.03 2.57 -4.41 2.11 -0.00 -1.22 -4.81 117.44 111.64 3jun n TRP 84 Ca 0.06 0.34 -0.20 0.00 -0.00 0.00 0.00 57.50 57.71 3jun n TRP 84 Cb 0.88 -2.53 -0.15 0.00 -0.00 0.00 0.00 31.31 29.50 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 -0.13 0.79 0.10 5.87 -7.23 -0.86 -4.74 120.40 114.19 3jun s VAL 85 Ca 0.65 -0.41 -0.24 0.00 -1.81 0.00 0.00 61.98 60.17 3jun s VAL 85 Cb -0.56 -0.67 -0.07 0.00 0.56 0.00 0.00 36.38 35.65 3jun s VAL 85 CO 0.50 0.23 0.72 0.26 -0.31 0.00 0.00 175.10 176.50 3jun s TRP 86 N -0.13 3.83 0.19 2.82 0.52 -1.26 -1.57 118.94 123.33 3jun s TRP 86 Ca 0.02 1.49 0.02 0.00 0.02 0.00 0.00 56.10 57.65 3jun s TRP 86 Cb -0.05 -2.71 -0.05 0.00 -1.15 0.00 0.00 33.47 29.51 3jun s TRP 86 CO -0.00 0.45 -0.00 0.95 0.02 0.00 0.00 176.95 178.37 3jun s THR 87 N -0.78 0.78 -1.39 2.01 -4.23 -0.39 -4.88 115.64 106.77 3jun s THR 87 Ca 0.35 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.80 3jun s THR 87 Cb -0.21 -2.17 0.03 0.00 1.34 0.00 0.00 72.50 71.49 3jun s THR 87 CO 0.23 -0.44 0.88 0.47 -0.54 0.00 0.00 174.62 175.22 3jun n ASP 88 N -0.29 -3.12 -4.68 3.99 8.00 -1.26 -0.85 116.55 118.35 3jun n ASP 88 Ca -0.06 -0.76 -0.43 0.00 0.71 0.00 0.00 54.79 54.25 3jun n ASP 88 Cb 0.63 -4.18 -0.02 0.00 -0.02 0.00 0.00 41.12 37.53 3jun n ASP 88 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3jun s ILE 89 N -3.47 4.45 -0.16 0.53 1.01 -1.26 -4.21 121.20 118.08 3jun s ILE 89 Ca 0.31 1.75 0.02 0.00 0.00 0.00 0.00 60.65 62.73 3jun s ILE 89 Cb -0.15 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.20 3jun s ILE 89 CO 0.80 -0.07 -0.21 -1.10 0.00 0.00 0.00 174.94 174.37 3jun s GLN 90 N 2.69 3.00 -0.19 2.79 -0.21 -0.06 -5.01 119.66 122.67 3jun s GLN 90 Ca 0.52 -0.84 -0.09 0.00 0.02 0.00 0.00 55.36 54.96 3jun s GLN 90 Cb -0.21 -2.49 -0.05 0.00 1.00 0.00 0.00 33.01 31.26 3jun s GLN 90 CO 0.16 -0.11 0.11 0.42 -2.12 0.00 0.00 175.29 173.76 3jun s ILE 91 N 1.04 5.27 -0.29 1.08 1.01 -1.26 -1.43 121.20 126.61 3jun s ILE 91 Ca -0.01 0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.73 3jun s ILE 91 Cb -0.14 -3.39 0.03 0.00 0.01 0.00 0.00 42.46 38.97 3jun s ILE 91 CO -0.07 0.46 0.03 -0.36 0.00 0.00 0.00 174.94 175.00 3jun s PHE 92 N 0.25 3.18 0.72 3.97 0.40 0.79 -5.02 117.98 122.27 3jun s PHE 92 Ca 0.07 -1.41 -0.12 0.00 -0.60 0.00 0.00 56.93 54.87 3jun s PHE 92 Cb -0.11 -2.18 0.03 0.00 0.51 0.00 0.00 43.02 41.26 3jun s PHE 92 CO -0.01 -0.70 1.09 -1.21 0.70 0.00 0.00 175.22 175.09 3jun s GLU 93 N 1.38 2.56 0.43 0.44 2.02 -1.26 -1.87 118.70 122.40 3jun s GLU 93 Ca -0.01 1.22 0.03 0.00 0.02 0.00 0.00 54.97 56.23 3jun s GLU 93 Cb -0.18 -1.93 -0.03 0.00 0.10 0.00 0.00 34.13 32.09 3jun s GLU 93 CO 0.00 -1.41 0.09 0.95 0.02 0.00 0.00 175.26 174.91 3jun s THR 94 N -2.71 0.81 0.62 3.63 -4.23 -1.20 -4.88 115.64 107.67 3jun s THR 94 Ca 0.63 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.46 3jun s THR 94 Cb -0.18 -2.35 0.36 0.00 1.34 0.00 0.00 72.50 71.68 3jun s THR 94 CO 0.50 0.00 2.09 0.06 -0.54 0.00 0.00 174.62 176.73 3jun h GLN 95 N 1.70 0.00 -4.90 3.99 -0.00 -1.99 -3.38 115.11 110.53 3jun h GLN 95 Ca -0.38 0.00 -0.68 0.00 -0.00 0.00 0.00 58.65 57.59 3jun h GLN 95 Cb 1.28 0.00 -0.18 0.00 -0.00 0.00 0.00 27.48 28.58 3jun h GLN 95 CO 0.62 0.00 -0.25 0.34 -0.00 0.00 0.00 178.83 179.54 3jun s ASP 96 N -5.30 6.19 0.41 0.06 -1.08 -1.26 -4.96 116.67 110.72 3jun s ASP 96 Ca -0.04 -0.44 0.27 0.00 -0.52 0.00 0.00 52.55 51.81 3jun s ASP 96 Cb 0.13 -2.21 1.45 0.00 -1.46 0.00 0.00 42.92 40.83 3jun s ASP 96 CO 0.46 -0.45 1.81 -0.65 0.52 0.00 0.00 175.17 176.86 3jun h PRO 97 N 8.58 0.00 -0.49 4.34 0.11 -1.89 -1.73 132.00 140.92 3jun h PRO 97 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3jun h PRO 97 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3jun h PRO 97 CO 0.74 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.62 3jun n ASN 98 N -2.45 4.99 -3.70 -2.05 3.02 -1.26 -4.26 115.26 109.55 3jun n ASN 98 Ca -0.02 -2.86 -0.20 0.00 -0.03 0.00 0.00 54.58 51.47 3jun n ASN 98 Cb 0.06 -0.62 -0.18 0.00 -0.61 0.00 0.00 39.78 38.44 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 -2.60 0.14 0.14 3.10 -0.11 -0.65 -0.10 118.94 118.86 3jun s TRP 99 Ca 0.50 0.19 0.08 0.00 1.22 0.00 0.00 56.10 58.09 3jun s TRP 99 Cb 0.37 -0.50 -0.04 0.00 -1.50 0.00 0.00 33.47 31.81 3jun s TRP 99 CO 0.15 -0.20 -0.19 -0.06 -4.62 0.00 0.00 176.95 172.04 3jun s PHE 100 N 2.02 1.75 0.11 5.86 0.40 -0.14 -3.23 117.98 124.75 3jun s PHE 100 Ca 0.03 -0.46 0.11 0.00 -0.60 0.00 0.00 56.93 56.01 3jun s PHE 100 Cb -0.12 -0.91 -0.04 0.00 0.51 0.00 0.00 43.02 42.46 3jun s PHE 100 CO -0.03 0.26 -0.27 -1.58 0.70 0.00 0.00 175.22 174.30 3jun s TRP 101 N -1.72 2.31 -0.06 0.36 0.52 -0.78 -0.56 118.94 119.00 3jun s TRP 101 Ca 0.11 -0.39 0.02 0.00 0.02 0.00 0.00 56.10 55.87 3jun s TRP 101 Cb -0.07 -1.28 0.01 0.00 -1.15 0.00 0.00 33.47 30.98 3jun s TRP 101 CO 0.05 0.29 -0.11 0.08 0.02 0.00 0.00 176.95 177.28 3jun s VAL 102 N -1.00 1.00 -0.12 4.03 1.01 0.03 -0.15 120.40 125.20 3jun s VAL 102 Ca 0.13 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 3jun s VAL 102 Cb -0.10 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 3jun s VAL 102 CO 0.05 0.32 -0.02 -0.70 0.00 0.00 0.00 175.10 174.75 3jun s GLU 103 N 0.62 3.32 0.27 2.72 2.12 -0.52 -0.54 118.70 126.69 3jun s GLU 103 Ca -0.12 -0.47 -0.09 0.00 0.36 0.00 0.00 54.97 54.65 3jun s GLU 103 Cb -0.15 -2.84 0.04 0.00 0.26 0.00 0.00 34.13 31.44 3jun s GLU 103 CO 0.03 0.47 0.51 0.00 -0.54 0.00 0.00 175.26 175.72 3jun s ARG 105 N -2.14 2.20 -0.06 0.00 1.81 -0.03 -1.10 118.95 119.64 3jun s ARG 105 Ca 0.12 -2.32 -0.31 0.00 -1.72 0.00 0.00 55.73 51.51 3jun s ARG 105 Cb -0.03 -1.65 0.08 0.00 -0.45 0.00 0.00 34.95 32.90 3jun s ARG 105 CO 0.09 -0.40 0.72 0.20 -0.68 0.00 0.00 175.30 175.24 3jun s GLY 106 N -3.95 -0.54 -0.05 -3.53 0.00 -0.86 -1.26 107.32 97.14 3jun s GLY 106 Ca 0.12 1.38 -0.19 0.00 0.00 0.00 0.00 44.72 46.04 3jun s GLY 106 CO 0.07 0.93 0.42 -1.83 0.00 0.00 0.00 173.10 172.69 3jun s GLU 107 N -1.30 0.73 0.00 2.90 -1.05 -0.61 -2.01 118.70 117.35 3jun s GLU 107 Ca -0.09 0.05 0.00 0.00 -0.15 0.00 0.00 54.97 54.78 3jun s GLU 107 Cb -0.00 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 34.02 3jun s GLU 107 CO 0.08 -0.20 0.00 0.41 0.95 0.00 0.00 175.26 176.50 3jun n GLY 108 N 1.46 0.74 3.66 -3.83 0.00 -0.50 -2.03 105.19 104.69 3jun n GLY 108 Ca -0.20 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.20 0.74 -3.42 4.61 0.00 -1.26 -0.51 120.51 120.46 3jun n ALA 109 Ca 0.00 0.18 -0.30 0.00 0.00 0.00 0.00 53.44 53.32 3jun n ALA 109 Cb 0.00 -2.18 -0.17 0.00 0.00 0.00 0.00 19.45 17.10 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 -1.30 1.75 -0.41 0.00 2.07 0.51 -4.21 121.20 119.60 3jun s ILE 110 Ca 0.66 -0.82 0.04 0.00 -1.41 0.00 0.00 60.65 59.12 3jun s ILE 110 Cb -0.49 -1.54 0.17 0.00 0.13 0.00 0.00 42.46 40.73 3jun s ILE 110 CO 0.54 0.49 0.35 0.52 -1.91 0.00 0.00 174.94 174.93 3jun n VAL 111 N 3.79 -1.21 -4.04 4.00 0.31 -0.44 -0.60 118.33 120.14 3jun n VAL 111 Ca -0.20 -3.44 -0.35 0.00 -0.01 0.00 0.00 64.34 60.34 3jun n VAL 111 Cb 0.52 -1.66 -0.07 0.00 -0.91 0.00 0.00 33.84 31.72 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 0.02 3.43 0.23 3.52 2.99 -1.26 -4.23 117.98 122.68 3jun s PHE 112 Ca 0.33 0.36 -0.32 0.00 0.00 0.00 0.00 56.93 57.31 3jun s PHE 112 Cb 0.04 -1.85 -0.12 0.00 0.00 0.00 0.00 43.02 41.09 3jun s PHE 112 CO -0.20 0.63 1.64 -2.30 -0.00 0.00 0.00 175.22 174.99 3jun n PRO 113 N 1.70 2.60 -0.56 0.24 -0.02 -1.26 -2.12 135.00 135.58 3jun n PRO 113 Ca -0.17 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3jun n PRO 113 Cb 0.54 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 3jun n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3jun n GLY 114 N 3.22 0.78 3.29 -1.23 0.00 -1.26 -5.04 105.19 104.95 3jun n GLY 114 Ca 0.14 0.00 -0.19 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 -3.02 1.58 0.52 1.61 1.51 -0.90 -5.12 117.35 113.53 3jun s TYR 115 Ca 0.00 -0.55 -0.22 0.00 -1.01 0.00 0.00 57.07 55.29 3jun s TYR 115 Cb 0.00 -0.79 -0.06 0.00 -0.11 0.00 0.00 41.96 41.01 3jun s TYR 115 CO 0.00 0.24 1.28 -1.25 -1.11 0.00 0.00 175.55 174.71 3jun s PRO 116 N -3.05 3.35 0.40 -1.71 0.04 -1.26 -4.61 135.00 128.17 3jun s PRO 116 Ca 0.15 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 62.97 3jun s PRO 116 Cb -0.03 -2.29 -0.10 0.00 0.04 0.00 0.00 34.50 32.11 3jun s PRO 116 CO 0.05 -0.96 1.31 -2.13 0.04 0.00 0.00 177.00 175.31 3jun n ARG 117 N -0.87 2.08 -4.14 4.56 0.63 -1.26 -4.74 116.66 112.92 3jun n ARG 117 Ca 0.09 0.74 -0.15 0.00 -0.92 0.00 0.00 57.85 57.61 3jun n ARG 117 Cb 0.46 -2.43 -0.06 0.00 0.45 0.00 0.00 32.46 30.89 3jun n ARG 117 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3jun s GLY 118 N -0.44 1.62 -0.17 5.14 0.00 0.23 -5.00 107.32 108.70 3jun s GLY 118 Ca 0.59 -1.63 -0.02 0.00 0.00 0.00 0.00 44.72 43.67 3jun s GLY 118 CO 0.59 -1.13 -0.10 1.62 0.00 0.00 0.00 173.10 174.08 3jun s GLN 119 N -3.36 3.37 -0.09 2.90 2.00 -1.26 -0.36 119.66 122.85 3jun s GLN 119 Ca 0.33 -0.66 0.02 0.00 -2.00 0.00 0.00 55.36 53.05 3jun s GLN 119 Cb 0.01 -2.78 -0.02 0.00 0.80 0.00 0.00 33.01 31.02 3jun s GLN 119 CO 0.20 0.03 -0.17 -0.47 -0.50 0.00 0.00 175.29 174.39 3jun s TYR 120 N 0.84 2.69 0.01 1.67 5.04 0.33 -4.59 117.35 123.35 3jun s TYR 120 Ca -0.03 -0.56 0.01 0.00 -2.44 0.00 0.00 57.07 54.05 3jun s TYR 120 Cb -0.15 -1.73 -0.01 0.00 0.35 0.00 0.00 41.96 40.42 3jun s TYR 120 CO 0.01 -0.12 -0.04 1.03 -1.34 0.00 0.00 175.55 175.08 3jun s ARG 121 N -0.05 0.35 0.31 4.97 0.52 -1.26 -1.41 118.95 122.37 3jun s ARG 121 Ca -0.04 -0.33 -0.17 0.00 -0.52 0.00 0.00 55.73 54.67 3jun s ARG 121 Cb -0.14 -0.24 0.02 0.00 0.52 0.00 0.00 34.95 35.11 3jun s ARG 121 CO 0.04 0.06 0.69 1.21 0.02 0.00 0.00 175.30 177.32 3jun s ASN 122 N -0.58 -0.10 -0.03 0.23 3.04 -0.85 -4.79 114.94 111.86 3jun s ASN 122 Ca -0.03 -0.85 -0.01 0.00 0.04 0.00 0.00 52.86 52.01 3jun s ASN 122 Cb -0.04 0.74 -0.04 0.00 -1.54 0.00 0.00 41.25 40.37 3jun s ASN 122 CO -0.00 -1.41 0.06 -2.28 -3.04 0.00 0.00 177.10 170.43 3jun s HIS 123 N -3.46 3.26 0.02 0.43 5.65 -1.26 -2.02 115.29 117.90 3jun s HIS 123 Ca 0.15 0.21 0.01 0.00 0.25 0.00 0.00 55.06 55.68 3jun s HIS 123 Cb -0.05 -1.75 -0.02 0.00 -1.18 0.00 0.00 32.58 29.58 3jun s HIS 123 CO 0.09 0.54 -0.04 -0.06 -0.65 0.00 0.00 174.74 174.61 3jun s PHE 124 N -1.10 0.39 -0.03 3.88 0.40 -0.26 -4.25 117.98 117.01 3jun s PHE 124 Ca 0.20 -0.36 0.07 0.00 -0.60 0.00 0.00 56.93 56.24 3jun s PHE 124 Cb -0.12 -0.25 -0.02 0.00 0.51 0.00 0.00 43.02 43.15 3jun s PHE 124 CO 0.10 -0.09 -0.25 -0.51 0.70 0.00 0.00 175.22 175.16 3jun s LEU 125 N -1.05 2.08 0.01 -0.37 1.43 -0.19 -1.49 118.68 119.11 3jun s LEU 125 Ca -0.08 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 52.62 3jun s LEU 125 Cb -0.07 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 3jun s LEU 125 CO -0.00 0.31 -0.21 -1.00 0.23 0.00 0.00 176.35 175.68 3jun s HIS 126 N -0.54 1.83 -0.12 0.29 3.76 0.29 -0.28 115.29 120.53 3jun s HIS 126 Ca 0.08 -0.36 -0.01 0.00 -0.15 0.00 0.00 55.06 54.62 3jun s HIS 126 Cb -0.11 -1.13 -0.02 0.00 1.11 0.00 0.00 32.58 32.43 3jun s HIS 126 CO -0.00 0.03 -0.09 0.45 -0.85 0.00 0.00 174.74 174.28 3jun s SER 127 N -0.84 4.39 -0.15 1.40 0.15 -0.13 -0.79 113.70 117.74 3jun s SER 127 Ca 0.08 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.54 3jun s SER 127 Cb -0.08 -1.51 0.03 0.00 -1.71 0.00 0.00 66.02 62.74 3jun s SER 127 CO 0.01 0.22 -0.11 -0.36 1.20 0.00 0.00 173.24 174.20 3jun s PHE 128 N 0.03 2.01 -0.09 3.44 0.08 0.28 -1.33 117.98 122.39 3jun s PHE 128 Ca -0.02 -1.16 0.00 0.00 0.12 0.00 0.00 56.93 55.87 3jun s PHE 128 Cb -0.14 -1.49 -0.03 0.00 -0.57 0.00 0.00 43.02 40.79 3jun s PHE 128 CO 0.04 -0.64 -0.09 1.03 -0.10 0.00 0.00 175.22 175.46 3jun s ARG 129 N 1.54 2.96 0.17 0.44 0.52 0.15 -0.97 118.95 123.76 3jun s ARG 129 Ca 0.03 -0.59 0.08 0.00 -0.52 0.00 0.00 55.73 54.74 3jun s ARG 129 Cb -0.14 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.68 3jun s ARG 129 CO -0.09 0.52 -0.06 -0.06 0.02 0.00 0.00 175.30 175.62 3jun s PHE 130 N -0.42 2.73 -0.10 -0.53 0.08 0.86 -0.53 117.98 120.07 3jun s PHE 130 Ca 0.06 -0.18 -0.04 0.00 0.12 0.00 0.00 56.93 56.89 3jun s PHE 130 Cb -0.12 -1.34 0.05 0.00 -0.57 0.00 0.00 43.02 41.04 3jun s PHE 130 CO 0.02 0.50 0.20 -2.00 -0.10 0.00 0.00 175.22 173.85 3jun s GLU 131 N -2.79 0.11 -1.44 0.44 2.12 -0.12 -4.78 118.70 112.26 3jun s GLU 131 Ca 0.25 0.57 -0.11 0.00 0.36 0.00 0.00 54.97 56.04 3jun s GLU 131 Cb -0.09 -0.16 0.04 0.00 0.26 0.00 0.00 34.13 34.18 3jun s GLU 131 CO 0.16 -0.24 1.08 0.09 -0.54 0.00 0.00 175.26 175.81 3jun n ASN 132 N 4.86 -5.77 0.00 -1.70 3.02 -1.26 -1.94 115.26 112.47 3jun n ASN 132 Ca -0.14 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 3jun n ASN 132 Cb 0.51 -4.56 0.00 0.00 -0.61 0.00 0.00 39.78 35.11 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 -1.86 0.48 3.39 7.41 0.00 -1.26 -5.00 105.19 108.35 3jun n GLY 133 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 2.44 -0.27 0.99 1.43 -0.82 -4.93 118.68 117.53 3jun s LEU 134 Ca 0.00 -1.17 -0.26 0.00 -1.03 0.00 0.00 54.13 51.67 3jun s LEU 134 Cb 0.00 -0.57 0.00 0.00 0.03 0.00 0.00 46.19 45.65 3jun s LEU 134 CO 0.00 -0.35 0.90 -0.63 0.23 0.00 0.00 176.35 176.51 3jun s ILE 135 N -3.09 4.74 -0.05 -0.59 1.01 0.14 -0.94 121.20 122.41 3jun s ILE 135 Ca 0.28 1.61 0.04 0.00 0.00 0.00 0.00 60.65 62.58 3jun s ILE 135 Cb 0.03 -4.21 -0.25 0.00 0.01 0.00 0.00 42.46 38.04 3jun s ILE 135 CO 0.10 -0.20 0.62 0.50 0.00 0.00 0.00 174.94 175.96 3jun h LYS 136 N 7.80 0.12 -2.56 2.79 1.63 -1.12 0.50 116.57 125.73 3jun h LYS 136 Ca -0.22 -0.20 -0.11 0.00 -0.85 0.00 0.00 60.65 59.27 3jun h LYS 136 Cb 1.08 0.08 -0.28 0.00 -0.60 0.00 0.00 32.23 32.51 3jun h LYS 136 CO 0.92 0.82 -0.37 -2.00 -3.45 0.00 0.00 179.45 175.38 3jun s GLU 137 N -2.59 0.32 -0.07 1.90 2.12 -0.92 -1.61 118.70 117.85 3jun s GLU 137 Ca -0.11 0.97 0.04 0.00 0.36 0.00 0.00 54.97 56.23 3jun s GLU 137 Cb 0.07 0.25 -0.02 0.00 0.26 0.00 0.00 34.13 34.69 3jun s GLU 137 CO 0.81 -0.24 -0.17 -1.14 -0.54 0.00 0.00 175.26 173.98 3jun s GLN 138 N 2.39 2.68 -0.03 4.30 -0.44 0.04 -0.67 119.66 127.93 3jun s GLN 138 Ca -0.03 -0.76 0.01 0.00 -2.50 0.00 0.00 55.36 52.09 3jun s GLN 138 Cb -0.11 -2.36 0.02 0.00 -1.64 0.00 0.00 33.01 28.91 3jun s GLN 138 CO -0.12 0.48 -0.03 1.03 0.50 0.00 0.00 175.29 177.14 3jun s ARG 139 N -0.36 0.54 -0.16 1.67 0.52 -0.44 -2.56 118.95 118.16 3jun s ARG 139 Ca 0.03 -0.06 -0.06 0.00 -0.52 0.00 0.00 55.73 55.11 3jun s ARG 139 Cb -0.12 -0.60 -0.04 0.00 0.52 0.00 0.00 34.95 34.71 3jun s ARG 139 CO 0.02 -0.05 0.06 -2.00 0.02 0.00 0.00 175.30 173.35 3jun s GLU 140 N 0.67 3.74 -0.15 3.54 2.12 -0.36 -0.95 118.70 127.31 3jun s GLU 140 Ca -0.08 -0.33 0.02 0.00 0.36 0.00 0.00 54.97 54.94 3jun s GLU 140 Cb -0.11 -3.13 0.01 0.00 0.26 0.00 0.00 34.13 31.16 3jun s GLU 140 CO -0.00 0.41 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.86 3jun s PHE 141 N -0.02 2.57 0.28 5.30 0.40 0.62 -0.48 117.98 126.66 3jun s PHE 141 Ca 0.06 -1.35 0.00 0.00 -0.60 0.00 0.00 56.93 55.04 3jun s PHE 141 Cb -0.12 -1.77 0.00 0.00 0.51 0.00 0.00 43.02 41.64 3jun s PHE 141 CO 0.01 -0.64 0.37 0.00 0.70 0.00 0.00 175.22 175.65 3jun n MET 142 N 4.26 0.53 -3.10 0.44 0.00 -1.26 -1.02 117.12 116.97 3jun n MET 142 Ca -0.20 -2.38 -0.44 0.00 0.00 0.00 0.00 57.70 54.68 3jun n MET 142 Cb 0.51 2.22 -0.05 0.00 0.00 0.00 0.00 33.22 35.89 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 -2.80 6.21 0.47 3.17 3.84 -1.26 -4.81 114.94 119.76 3jun s ASN 143 Ca 0.26 -1.07 0.32 0.00 0.21 0.00 0.00 52.86 52.58 3jun s ASN 143 Cb -0.00 -2.31 1.70 0.00 -0.55 0.00 0.00 41.25 40.08 3jun s ASN 143 CO 0.18 -1.03 1.97 -0.65 -2.79 0.00 0.00 177.10 174.78 3jun h PRO 144 N 9.12 0.00 -0.16 0.43 0.11 -1.95 -2.24 132.00 137.31 3jun h PRO 144 Ca -0.28 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 3jun h PRO 144 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3jun h PRO 144 CO 1.03 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.76 3jun h GLU 146 N 0.23 0.22 -0.07 0.00 4.39 -1.76 -1.43 114.58 116.16 3jun h GLU 146 Ca 0.05 -0.11 -0.20 0.00 0.34 0.00 0.00 59.36 59.44 3jun h GLU 146 Cb 0.28 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3jun h GLU 146 CO 0.01 0.61 -0.75 0.37 -1.16 0.00 0.00 179.01 178.09 3jun h GLN 147 N 0.18 0.64 -0.58 2.33 4.15 -1.47 -2.74 115.11 117.62 3jun h GLN 147 Ca 0.01 -0.59 0.11 0.00 0.77 0.00 0.00 58.65 58.96 3jun h GLN 147 Cb 0.84 0.14 -0.11 0.00 0.21 0.00 0.00 27.48 28.56 3jun h GLN 147 CO 0.07 1.20 -0.21 0.74 -1.93 0.00 0.00 178.83 178.70 3jun h PHE 148 N 0.29 -0.50 -0.91 3.99 0.04 -1.11 -1.79 116.94 116.94 3jun h PHE 148 Ca -0.07 0.06 0.07 0.00 2.80 0.00 0.00 57.97 60.82 3jun h PHE 148 Cb 1.41 0.31 -0.07 0.00 2.20 0.00 0.00 35.95 39.80 3jun h PHE 148 CO 0.11 -0.30 0.57 0.00 -0.60 0.00 0.00 178.31 178.09 3jun h ARG 149 N -0.07 1.00 0.00 1.51 3.08 -1.19 -0.80 114.38 117.92 3jun h ARG 149 Ca 0.27 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 3jun h ARG 149 Cb 0.48 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 3jun h ARG 149 CO -0.63 0.66 -0.14 0.66 -1.07 0.00 0.00 179.97 179.45 3jun h SER 150 N 1.03 0.00 -0.01 7.04 4.64 -1.05 -2.31 113.55 122.90 3jun h SER 150 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3jun h SER 150 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3jun h SER 150 CO -0.18 0.14 -0.03 0.18 -0.87 0.00 0.00 176.83 176.06 3jun n LEU 151 N -4.25 2.11 -0.95 5.97 4.77 -0.65 -4.39 117.00 119.60 3jun n LEU 151 Ca -0.02 -0.70 -0.10 0.00 -0.03 0.00 0.00 56.01 55.16 3jun n LEU 151 Cb 0.21 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 3jun n LEU 151 CO 0.35 0.35 -0.11 0.61 -1.33 0.00 0.00 177.39 177.26 3jun n GLY 152 N 1.27 0.42 3.69 -0.72 0.00 -0.87 -4.63 105.19 104.34 3jun n GLY 152 Ca 0.16 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.43 5.17 0.28 -0.61 1.01 -0.40 -5.02 121.20 119.20 3jun s ILE 153 Ca 0.00 0.87 -0.30 0.00 0.00 0.00 0.00 60.65 61.22 3jun s ILE 153 Cb 0.00 -3.79 -0.11 0.00 0.01 0.00 0.00 42.46 38.57 3jun s ILE 153 CO 0.00 0.26 1.56 -0.70 0.00 0.00 0.00 174.94 176.06 3jun s GLU 154 N 1.16 4.16 -0.25 2.79 2.12 -1.26 -4.03 118.70 123.38 3jun s GLU 154 Ca 0.23 2.51 -0.15 0.00 0.36 0.00 0.00 54.97 57.92 3jun s GLU 154 Cb -0.15 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 3jun s GLU 154 CO 0.09 -0.59 0.38 0.08 -0.54 0.00 0.00 175.26 174.68 3jun s VAL 155 N 0.07 5.18 0.75 3.70 1.01 -1.26 -5.01 120.40 124.84 3jun s VAL 155 Ca 0.63 0.60 -0.15 0.00 0.00 0.00 0.00 61.98 63.06 3jun s VAL 155 Cb -0.46 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.26 3jun s VAL 155 CO 0.46 0.19 1.18 -2.65 0.00 0.00 0.00 175.10 174.27 3jun n PRO 156 N 5.08 0.51 -4.52 2.72 -0.02 -1.26 -5.03 135.00 132.48 3jun n PRO 156 Ca -0.08 0.24 -0.21 0.00 -2.02 0.00 0.00 63.50 61.42 3jun n PRO 156 Cb 0.51 -2.42 -0.15 0.00 -0.02 0.00 0.00 33.50 31.41 3jun n PRO 156 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3jun s GLU 157 N -3.75 1.10 -0.31 -0.52 2.12 -1.26 -5.11 118.70 110.97 3jun s GLU 157 Ca 0.76 -0.40 -0.13 0.00 0.36 0.00 0.00 54.97 55.55 3jun s GLU 157 Cb -0.33 -1.02 -0.03 0.00 0.26 0.00 0.00 34.13 33.01 3jun s GLU 157 CO 0.48 0.19 0.28 0.08 -0.54 0.00 0.00 175.26 175.75 3jun s VAL 158 N -0.02 5.24 -0.16 3.70 1.01 -1.26 -5.05 120.40 123.87 3jun s VAL 158 Ca -0.00 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 3jun s VAL 158 Cb -0.07 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3jun s VAL 158 CO 0.00 0.07 1.79 -0.13 0.00 0.00 0.00 175.10 176.83 3jun s ARG 159 N 1.87 3.77 0.00 2.72 0.52 -1.26 -5.35 118.95 121.23 3jun s ARG 159 Ca 0.09 1.94 0.04 0.00 -0.52 0.00 0.00 55.73 57.28 3jun s ARG 159 Cb -0.16 -4.11 0.03 0.00 0.52 0.00 0.00 34.95 31.23 3jun s ARG 159 CO 0.11 -1.34 0.64 0.54 0.02 0.00 0.00 175.30 175.26