#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3neg n HIS 4 N 0.00 0.00 -3.47 1.57 -0.00 -1.26 -5.16 115.22 106.91 3neg n HIS 4 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.65 3neg n HIS 4 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 29.91 3neg n HIS 4 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 3neg s GLN 5 N 3.14 0.37 0.44 -1.40 0.74 -1.26 -5.17 119.66 116.52 3neg s GLN 5 Ca 0.00 0.82 0.07 0.00 0.05 0.00 0.00 55.36 56.31 3neg s GLN 5 Cb 0.00 0.01 -0.01 0.00 1.10 0.00 0.00 33.01 34.11 3neg s GLN 5 CO 0.00 -0.46 0.37 0.95 -0.55 0.00 0.00 175.29 175.60 3neg s THR 6 N 2.62 2.43 0.87 -0.34 -4.23 -1.26 -5.15 115.64 110.58 3neg s THR 6 Ca 0.07 -1.40 -0.08 0.00 -1.18 0.00 0.00 61.69 59.10 3neg s THR 6 Cb -0.14 -2.83 0.19 0.00 1.34 0.00 0.00 72.50 71.06 3neg s THR 6 CO -0.15 0.00 1.19 -0.04 -0.54 0.00 0.00 174.62 175.08 3neg s MET 7 N -4.15 0.92 0.20 3.99 1.00 -1.26 -5.02 119.30 114.99 3neg s MET 7 Ca 0.45 -0.91 0.23 0.00 0.00 0.00 0.00 55.69 55.47 3neg s MET 7 Cb -0.02 -2.08 0.24 0.00 0.00 0.00 0.00 34.83 32.96 3neg s MET 7 CO 0.26 -2.09 1.28 -1.00 0.00 0.00 0.00 175.02 173.47 3neg h PRO 8 N -1.18 0.00 -0.05 2.03 0.13 -2.00 -3.31 132.00 127.62 3neg h PRO 8 Ca -0.39 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.60 3neg h PRO 8 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 3neg h PRO 8 CO 0.34 0.00 -0.62 0.77 -0.23 0.00 0.00 178.00 178.26 3neg h SER 9 N 0.00 0.20 -3.95 1.44 0.02 -1.96 -3.44 113.55 105.87 3neg h SER 9 Ca 0.00 -0.12 -0.53 0.00 -0.84 0.00 0.00 61.79 60.30 3neg h SER 9 Cb 0.88 -0.06 0.09 0.00 0.14 0.00 0.00 62.40 63.44 3neg h SER 9 CO 0.00 0.77 0.63 -1.81 -1.14 0.00 0.00 176.83 175.28 3neg s ASP 10 N -6.89 6.30 0.57 3.07 1.11 -1.25 -0.37 116.67 119.22 3neg s ASP 10 Ca -0.03 2.70 -0.19 0.00 0.18 0.00 0.00 52.55 55.21 3neg s ASP 10 Cb 0.12 -2.64 -0.05 0.00 1.07 0.00 0.00 42.92 41.42 3neg s ASP 10 CO 0.79 -0.86 1.14 -0.76 1.18 0.00 0.00 175.17 176.66 3neg s LEU 11 N -2.39 3.68 0.74 1.23 1.43 -1.26 -4.87 118.68 117.23 3neg s LEU 11 Ca 0.56 2.20 -0.10 0.00 -1.03 0.00 0.00 54.13 55.77 3neg s LEU 11 Cb -0.39 -4.58 0.06 0.00 0.03 0.00 0.00 46.19 41.30 3neg s LEU 11 CO 0.51 -1.36 1.09 0.42 0.23 0.00 0.00 176.35 177.23 3neg s THR 12 N -1.81 2.48 0.08 5.49 -4.23 -1.26 -4.85 115.64 111.53 3neg s THR 12 Ca 0.73 -0.02 -0.25 0.00 -1.18 0.00 0.00 61.69 60.97 3neg s THR 12 Cb -0.25 -3.12 -0.16 0.00 1.34 0.00 0.00 72.50 70.32 3neg s THR 12 CO 0.30 -0.14 1.70 -0.61 -0.54 0.00 0.00 174.62 175.33 3neg h GLN 13 N -0.76 -0.21 -0.87 3.99 4.15 -1.98 0.13 115.11 119.57 3neg h GLN 13 Ca -0.45 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.02 3neg h GLN 13 Cb 1.31 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.99 3neg h GLN 13 CO 0.63 -0.13 0.56 -0.44 -1.93 0.00 0.00 178.83 177.52 3neg h ASP 14 N -0.23 0.92 0.08 -0.69 3.32 -2.00 0.40 116.42 118.22 3neg h ASP 14 Ca -0.02 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3neg h ASP 14 Cb 0.17 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3neg h ASP 14 CO 0.04 0.62 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.76 3neg h GLU 15 N 1.07 -0.18 -0.55 3.56 5.08 -1.86 -2.57 114.58 119.13 3neg h GLU 15 Ca 0.35 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.69 3neg h GLU 15 Cb 0.03 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3neg h GLU 15 CO -0.12 -0.12 0.22 0.35 -1.00 0.00 0.00 179.01 178.34 3neg h PHE 16 N -0.19 0.78 -0.14 4.33 3.57 0.33 -1.73 116.94 123.90 3neg h PHE 16 Ca 0.01 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 3neg h PHE 16 Cb 0.19 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3neg h PHE 16 CO -0.11 0.60 -0.35 1.79 -2.23 0.00 0.00 178.31 178.01 3neg h THR 17 N 0.78 1.29 -0.02 4.41 1.35 -0.74 0.14 112.91 120.12 3neg h THR 17 Ca 0.19 -1.39 -0.19 0.00 -0.55 0.00 0.00 66.41 64.46 3neg h THR 17 Cb 0.14 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 3neg h THR 17 CO -0.02 0.42 -0.82 1.56 -0.25 0.00 0.00 175.52 176.41 3neg h GLN 18 N 0.24 0.28 -0.00 4.72 4.20 -1.05 -3.36 115.11 120.14 3neg h GLN 18 Ca 0.03 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.47 3neg h GLN 18 Cb 0.74 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.59 3neg h GLN 18 CO 0.06 0.96 -0.79 1.28 -0.67 0.00 0.00 178.83 179.67 3neg n LEU 19 N -3.74 1.26 -0.30 1.46 4.77 -0.69 -4.61 117.00 115.14 3neg n LEU 19 Ca -0.04 -0.58 0.13 0.00 -0.03 0.00 0.00 56.01 55.49 3neg n LEU 19 Cb 0.77 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 42.15 3neg n LEU 19 CO 0.48 0.28 0.94 0.77 -1.33 0.00 0.00 177.39 178.53 3neg h SER 20 N 0.72 0.00 -0.26 -1.43 4.64 -1.12 0.25 113.55 116.35 3neg h SER 20 Ca 0.00 0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 3neg h SER 20 Cb 0.55 0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 3neg h SER 20 CO 0.00 -0.16 0.08 1.56 -0.87 0.00 0.00 176.83 177.44 3neg h GLN 21 N 0.20 0.41 -0.54 4.77 4.20 -1.86 0.28 115.11 122.57 3neg h GLN 21 Ca 0.56 -0.09 0.08 0.00 0.06 0.00 0.00 58.65 59.26 3neg h GLN 21 Cb 1.14 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.80 3neg h GLN 21 CO -0.66 0.49 0.19 0.77 -0.67 0.00 0.00 178.83 178.95 3neg h SER 22 N 0.26 0.19 -0.52 1.46 0.02 -0.90 -0.05 113.55 114.02 3neg h SER 22 Ca 0.08 0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.16 3neg h SER 22 Cb 0.25 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.79 3neg h SER 22 CO -0.00 0.13 0.24 0.40 -1.14 0.00 0.00 176.83 176.46 3neg h ILE 23 N 0.37 0.92 -0.79 3.27 2.04 -0.68 -0.58 117.51 122.05 3neg h ILE 23 Ca 0.26 -0.16 0.10 0.00 1.00 0.00 0.00 64.86 66.06 3neg h ILE 23 Cb 0.30 0.41 -0.08 0.00 -0.74 0.00 0.00 36.82 36.71 3neg h ILE 23 CO -0.27 0.09 0.43 0.00 0.00 0.00 0.00 178.15 178.40 3neg h ALA 24 N 1.30 1.13 0.00 1.87 0.00 0.78 -2.27 119.26 122.06 3neg h ALA 24 Ca 0.24 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3neg h ALA 24 Cb 0.18 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3neg h ALA 24 CO -0.19 0.03 -0.07 1.49 0.00 0.00 0.00 179.25 180.51 3neg h GLU 25 N 0.71 0.00 0.04 0.00 4.81 -0.52 -3.43 114.58 116.19 3neg h GLU 25 Ca 0.39 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 59.25 3neg h GLU 25 Cb 0.40 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 3neg h GLU 25 CO -0.27 0.55 -2.29 1.19 -0.73 0.00 0.00 179.01 177.46 3neg n PHE 26 N -4.67 0.42 -1.59 0.92 3.72 -0.28 -4.62 117.46 111.36 3neg n PHE 26 Ca -0.07 0.10 -0.32 0.00 -0.05 0.00 0.00 57.45 57.11 3neg n PHE 26 Cb 0.28 -1.06 0.06 0.00 -0.94 0.00 0.00 39.48 37.82 3neg n PHE 26 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3neg n HIS 27 N -3.25 3.09 -4.13 1.38 8.25 -0.86 -4.87 115.22 114.83 3neg n HIS 27 Ca -0.39 -2.77 -0.19 0.00 -0.26 0.00 0.00 57.72 54.11 3neg n HIS 27 Cb 1.03 -1.10 -0.16 0.00 1.12 0.00 0.00 29.99 30.88 3neg n HIS 27 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3neg s THR 28 N -4.80 0.45 0.18 1.59 2.01 -1.22 -4.90 115.64 108.95 3neg s THR 28 Ca 0.60 -0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.57 3neg s THR 28 Cb 0.48 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 72.46 3neg s THR 28 CO -0.03 0.20 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.65 3neg s TYR 29 N 0.78 1.59 -0.31 4.92 2.02 -1.26 -5.05 117.35 120.05 3neg s TYR 29 Ca -0.10 -0.60 -0.29 0.00 -0.37 0.00 0.00 57.07 55.71 3neg s TYR 29 Cb -0.13 -0.76 0.01 0.00 -0.40 0.00 0.00 41.96 40.68 3neg s TYR 29 CO -0.00 0.28 1.16 -1.14 -1.57 0.00 0.00 175.55 174.28 3neg s GLN 30 N -3.52 4.02 0.00 -0.62 0.74 -1.26 -5.01 119.66 114.02 3neg s GLN 30 Ca 0.19 1.15 0.00 0.00 0.05 0.00 0.00 55.36 56.76 3neg s GLN 30 Cb -0.01 -3.79 0.00 0.00 1.10 0.00 0.00 33.01 30.31 3neg s GLN 30 CO 0.05 -0.97 0.00 1.28 -0.55 0.00 0.00 175.29 175.10 3neg n LEU 31 N 7.12 0.00 -1.01 3.68 4.77 -1.26 -4.98 117.00 125.32 3neg n LEU 31 Ca 0.13 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.14 3neg n LEU 31 Cb 0.47 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 3neg n LEU 31 CO 0.61 0.00 -0.35 0.61 -1.33 0.00 0.00 177.39 176.92 3neg n GLY 32 N 5.00 -3.49 3.07 -0.72 0.00 -1.26 -4.87 105.19 102.92 3neg n GLY 32 Ca 0.00 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 3neg n GLY 32 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3neg n ASN 33 N -2.63 -6.23 -1.82 1.61 3.02 -1.26 -3.63 115.26 104.31 3neg n ASN 33 Ca -0.02 -0.62 -0.16 0.00 -0.03 0.00 0.00 54.58 53.76 3neg n ASN 33 Cb 0.36 -4.75 -0.01 0.00 -0.61 0.00 0.00 39.78 34.77 3neg n ASN 33 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3neg n GLY 34 N -1.27 -0.28 3.78 7.41 0.00 -1.26 -4.98 105.19 108.59 3neg n GLY 34 Ca -0.06 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 3neg n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3neg s ARG 35 N -4.82 2.39 -0.03 1.61 0.52 -1.24 -0.82 118.95 116.56 3neg s ARG 35 Ca 0.01 -1.62 -0.28 0.00 -0.52 0.00 0.00 55.73 53.32 3neg s ARG 35 Cb -0.01 -2.18 0.06 0.00 0.52 0.00 0.00 34.95 33.35 3neg s ARG 35 CO 0.02 -0.03 0.61 0.00 0.02 0.00 0.00 175.30 175.91 3neg s SER 37 N -1.32 0.12 0.17 0.00 1.04 -1.26 -1.41 113.70 111.04 3neg s SER 37 Ca -0.11 -1.26 -0.23 0.00 0.48 0.00 0.00 55.95 54.84 3neg s SER 37 Cb -0.01 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.59 3neg s SER 37 CO 0.08 -0.89 0.64 -0.55 0.98 0.00 0.00 173.24 173.50 3neg s SER 38 N -3.11 -0.50 -0.06 7.02 0.15 -0.92 -4.99 113.70 111.29 3neg s SER 38 Ca 0.33 -0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.88 3neg s SER 38 Cb 0.05 0.61 0.02 0.00 -1.71 0.00 0.00 66.02 64.99 3neg s SER 38 CO 0.10 -1.02 -0.07 -0.22 1.20 0.00 0.00 173.24 173.23 3neg s LEU 39 N -2.77 1.38 -0.01 3.45 2.96 -1.26 -2.18 118.68 120.25 3neg s LEU 39 Ca 0.03 -0.19 0.06 0.00 -0.22 0.00 0.00 54.13 53.81 3neg s LEU 39 Cb -0.02 -0.58 -0.02 0.00 0.50 0.00 0.00 46.19 46.07 3neg s LEU 39 CO -0.09 -0.04 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.95 3neg s LEU 40 N 0.93 2.04 0.17 -0.68 1.02 0.14 -4.71 118.68 117.59 3neg s LEU 40 Ca -0.11 -0.35 0.07 0.00 0.02 0.00 0.00 54.13 53.76 3neg s LEU 40 Cb -0.15 -0.98 -0.04 0.00 0.02 0.00 0.00 46.19 45.04 3neg s LEU 40 CO 0.00 0.23 0.00 0.00 0.02 0.00 0.00 176.35 176.61 3neg s ALA 41 N -0.47 3.22 -0.11 4.21 0.00 0.50 -0.34 121.76 128.78 3neg s ALA 41 Ca 0.07 -1.34 -0.05 0.00 0.00 0.00 0.00 51.96 50.65 3neg s ALA 41 Cb -0.07 -1.02 0.05 0.00 0.00 0.00 0.00 23.12 22.08 3neg s ALA 41 CO -0.01 0.50 0.23 -1.14 0.00 0.00 0.00 175.76 175.35 3neg s GLN 42 N -2.88 0.15 0.13 0.00 2.00 -0.14 -4.65 119.66 114.27 3neg s GLN 42 Ca 0.27 0.59 -0.19 0.00 -2.00 0.00 0.00 55.36 54.04 3neg s GLN 42 Cb -0.10 -0.12 -0.07 0.00 0.80 0.00 0.00 33.01 33.53 3neg s GLN 42 CO 0.19 -0.22 0.62 1.03 -0.50 0.00 0.00 175.29 176.40 3neg s ARG 43 N 1.78 4.19 -0.08 1.67 3.00 -1.26 -1.13 118.95 127.13 3neg s ARG 43 Ca -0.04 0.75 -0.02 0.00 0.00 0.00 0.00 55.73 56.41 3neg s ARG 43 Cb -0.11 -3.08 0.04 0.00 0.00 0.00 0.00 34.95 31.79 3neg s ARG 43 CO -0.08 0.54 0.04 0.42 0.00 0.00 0.00 175.30 176.22 3neg s ILE 44 N -1.29 0.09 -1.17 1.52 1.01 0.00 -4.95 121.20 116.41 3neg s ILE 44 Ca 0.35 0.19 -0.15 0.00 0.00 0.00 0.00 60.65 61.03 3neg s ILE 44 Cb -0.18 -0.39 -0.06 0.00 0.01 0.00 0.00 42.46 41.84 3neg s ILE 44 CO 0.20 0.12 2.20 1.41 0.00 0.00 0.00 174.94 178.87 3neg n HIS 45 N 5.23 2.53 -3.66 3.97 8.25 -1.26 -1.36 115.22 128.92 3neg n HIS 45 Ca -0.05 -2.45 -0.11 0.00 -0.26 0.00 0.00 57.72 54.85 3neg n HIS 45 Cb 0.50 -2.14 -0.05 0.00 1.12 0.00 0.00 29.99 29.42 3neg n HIS 45 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3neg s ALA 46 N 3.73 -0.88 0.39 -1.41 0.00 -1.26 -4.69 121.76 117.64 3neg s ALA 46 Ca 0.53 -0.03 -0.25 0.00 0.00 0.00 0.00 51.96 52.21 3neg s ALA 46 Cb 0.14 0.60 -0.09 0.00 0.00 0.00 0.00 23.12 23.78 3neg s ALA 46 CO -0.01 -0.59 1.09 -1.25 0.00 0.00 0.00 175.76 175.00 3neg s PRO 47 N -3.53 4.16 0.46 0.00 0.04 -1.26 -3.15 135.00 131.71 3neg s PRO 47 Ca 0.01 1.64 0.21 0.00 0.04 0.00 0.00 61.00 62.91 3neg s PRO 47 Cb 0.02 -2.63 1.21 0.00 0.04 0.00 0.00 34.50 33.13 3neg s PRO 47 CO -0.10 -0.18 1.88 -1.35 0.04 0.00 0.00 177.00 177.30 3neg h PRO 48 N 2.64 0.26 -0.52 0.56 0.11 -1.86 -1.93 132.00 131.26 3neg h PRO 48 Ca -0.48 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 3neg h PRO 48 Cb 1.22 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3neg h PRO 48 CO 0.63 0.17 0.04 1.49 -0.21 0.00 0.00 178.00 180.12 3neg h GLU 49 N 0.27 0.89 0.16 1.05 4.57 -1.97 0.14 114.58 119.68 3neg h GLU 49 Ca 0.43 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 3neg h GLU 49 Cb 1.25 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 3neg h GLU 49 CO -0.11 0.89 -0.08 1.15 -1.18 0.00 0.00 179.01 179.68 3neg h THR 50 N 0.76 0.91 -0.84 0.32 2.02 -1.74 -2.19 112.91 112.15 3neg h THR 50 Ca 0.15 -0.28 0.07 0.00 0.77 0.00 0.00 66.41 67.12 3neg h THR 50 Cb 0.46 1.08 -0.06 0.00 -1.74 0.00 0.00 68.15 67.89 3neg h THR 50 CO 0.02 0.07 0.51 0.58 0.37 0.00 0.00 175.52 177.06 3neg h VAL 51 N -0.35 1.01 -0.37 3.16 2.07 -1.19 -2.34 116.25 118.25 3neg h VAL 51 Ca -0.02 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 3neg h VAL 51 Cb 0.27 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 3neg h VAL 51 CO 0.04 0.17 0.15 -0.25 0.02 0.00 0.00 177.57 177.69 3neg h TRP 52 N 0.92 0.56 -0.61 1.57 2.91 -0.63 -2.42 115.95 118.25 3neg h TRP 52 Ca 0.37 -0.04 0.13 0.00 1.13 0.00 0.00 58.89 60.48 3neg h TRP 52 Cb 0.20 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 28.65 3neg h TRP 52 CO -0.04 0.50 0.41 0.66 -1.03 0.00 0.00 178.44 178.95 3neg h SER 53 N 0.45 0.23 0.05 2.65 4.64 -0.83 -0.60 113.55 120.15 3neg h SER 53 Ca 0.12 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3neg h SER 53 Cb 0.18 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3neg h SER 53 CO -0.01 0.13 -0.03 0.58 -0.87 0.00 0.00 176.83 176.63 3neg h VAL 54 N 0.25 1.18 -0.85 0.95 2.07 -1.42 -3.33 116.25 115.10 3neg h VAL 54 Ca 0.29 -1.61 0.19 0.00 0.82 0.00 0.00 66.70 66.39 3neg h VAL 54 Cb 0.79 2.11 -0.06 0.00 -1.52 0.00 0.00 31.29 32.61 3neg h VAL 54 CO -0.06 0.36 0.57 0.58 0.02 0.00 0.00 177.57 179.03 3neg h VAL 55 N -0.89 0.70 0.00 2.57 2.07 -0.91 -1.55 116.25 118.24 3neg h VAL 55 Ca -0.01 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3neg h VAL 55 Cb 0.64 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3neg h VAL 55 CO 0.01 0.07 0.00 0.08 0.02 0.00 0.00 177.57 177.75 3neg h ARG 56 N 0.37 0.00 -5.19 1.57 0.11 -1.25 -3.41 114.38 106.57 3neg h ARG 56 Ca 0.43 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 60.23 3neg h ARG 56 Cb 1.11 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.19 3neg h ARG 56 CO -0.14 0.00 0.88 0.54 0.10 0.00 0.00 179.97 181.34 3neg n ARG 57 N -3.06 0.95 0.27 0.08 5.12 -0.58 -4.71 116.66 114.72 3neg n ARG 57 Ca 0.03 -2.03 0.12 0.00 -1.93 0.00 0.00 57.85 54.04 3neg n ARG 57 Cb 0.48 -3.62 0.73 0.00 -1.16 0.00 0.00 32.46 28.90 3neg n ARG 57 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 3neg h PHE 58 N 10.19 0.00 0.00 -1.55 3.57 -1.87 -1.71 116.94 125.57 3neg h PHE 58 Ca 0.17 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3neg h PHE 58 Cb 0.91 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.65 3neg h PHE 58 CO 1.13 0.09 -0.39 0.38 -2.23 0.00 0.00 178.31 177.29 3neg h ASP 59 N 0.00 0.00 -2.19 0.41 2.03 -1.98 -3.37 116.42 111.32 3neg h ASP 59 Ca -0.00 -0.02 -0.58 0.00 -0.73 0.00 0.00 57.03 55.70 3neg h ASP 59 Cb 0.21 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 38.29 3neg h ASP 59 CO 0.01 0.01 -0.73 0.54 -1.03 0.00 0.00 179.24 178.04 3neg n ARG 60 N -2.79 2.44 0.20 4.15 1.74 -0.64 -4.85 116.66 116.90 3neg n ARG 60 Ca 0.03 -4.45 0.05 0.00 -0.77 0.00 0.00 57.85 52.71 3neg n ARG 60 Cb 0.52 -2.08 0.42 0.00 -1.02 0.00 0.00 32.46 30.30 3neg n ARG 60 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3neg h PRO 61 N 3.56 0.00 -1.26 5.56 0.13 -1.73 -2.89 132.00 135.38 3neg h PRO 61 Ca 0.15 0.00 0.38 0.00 -0.87 0.00 0.00 66.00 65.66 3neg h PRO 61 Cb 0.66 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.68 3neg h PRO 61 CO 0.75 0.33 0.82 1.96 -0.23 0.00 0.00 178.00 181.63 3neg h GLN 62 N 0.00 0.16 -1.31 0.86 7.50 -1.90 -1.05 115.11 119.37 3neg h GLN 62 Ca -0.00 -0.01 0.38 0.00 0.50 0.00 0.00 58.65 59.52 3neg h GLN 62 Cb 0.65 -0.04 -0.05 0.00 0.05 0.00 0.00 27.48 28.09 3neg h GLN 62 CO 0.04 0.11 0.94 0.82 -1.50 0.00 0.00 178.83 179.24 3neg h ILE 63 N 0.17 0.34 0.00 2.54 2.04 -1.91 -3.29 117.51 117.40 3neg h ILE 63 Ca 0.73 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.59 3neg h ILE 63 Cb 2.28 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 3neg h ILE 63 CO -0.32 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.83 3neg n TYR 64 N -4.15 0.00 -2.49 1.37 0.18 -0.59 -4.95 117.16 106.53 3neg n TYR 64 Ca 0.29 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.69 3neg n TYR 64 Cb 1.37 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 40.29 3neg n TYR 64 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3neg s LYS 65 N -0.34 4.23 0.52 -3.48 1.02 -0.50 -4.40 119.74 116.79 3neg s LYS 65 Ca 0.00 1.62 -0.04 0.00 0.02 0.00 0.00 55.97 57.57 3neg s LYS 65 Cb 0.00 -2.68 -0.01 0.00 -0.52 0.00 0.00 37.83 34.62 3neg s LYS 65 CO 0.00 -0.11 0.80 -1.01 -0.92 0.00 0.00 175.35 174.11 3neg s HIS 66 N -1.52 3.32 -0.12 3.18 3.76 -1.26 -4.57 115.29 118.08 3neg s HIS 66 Ca 0.55 0.55 0.00 0.00 -0.15 0.00 0.00 55.06 56.02 3neg s HIS 66 Cb -0.25 -2.49 0.00 0.00 1.11 0.00 0.00 32.58 30.95 3neg s HIS 66 CO 0.32 -0.54 0.00 1.19 -0.85 0.00 0.00 174.74 174.86 3neg n PHE 67 N -2.34 0.00 -3.49 1.40 3.72 -1.26 -4.99 117.46 110.50 3neg n PHE 67 Ca 0.02 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.04 3neg n PHE 67 Cb 0.57 -0.51 -0.10 0.00 -0.94 0.00 0.00 39.48 38.50 3neg n PHE 67 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3neg s ILE 68 N -1.96 5.25 -0.04 4.37 1.01 -1.26 -1.50 121.20 127.06 3neg s ILE 68 Ca 0.00 0.40 0.12 0.00 0.00 0.00 0.00 60.65 61.16 3neg s ILE 68 Cb 0.00 -3.62 -0.07 0.00 0.01 0.00 0.00 42.46 38.78 3neg s ILE 68 CO 0.00 0.22 1.31 0.50 0.00 0.00 0.00 174.94 176.97 3neg h LYS 69 N 8.06 0.00 -1.07 2.79 3.64 0.23 -3.44 116.57 126.78 3neg h LYS 69 Ca -0.34 0.00 0.30 0.00 -1.27 0.00 0.00 60.65 59.34 3neg h LYS 69 Cb 1.17 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.77 3neg h LYS 69 CO 0.62 0.69 0.97 -1.54 -2.27 0.00 0.00 179.45 177.92 3neg s SER 70 N -6.50 -0.02 -0.21 4.20 1.04 -1.06 -4.99 113.70 106.15 3neg s SER 70 Ca 0.02 0.01 -0.04 0.00 0.48 0.00 0.00 55.95 56.42 3neg s SER 70 Cb 0.09 0.02 0.10 0.00 0.10 0.00 0.00 66.02 66.32 3neg s SER 70 CO 0.78 -0.03 0.22 0.00 0.98 0.00 0.00 173.24 175.18 3neg s ASN 72 N 2.31 6.10 0.41 0.00 -0.87 0.03 -4.93 114.94 117.99 3neg s ASN 72 Ca 0.07 0.26 0.08 0.00 -1.57 0.00 0.00 52.86 51.70 3neg s ASN 72 Cb -0.16 -2.03 -0.03 0.00 -0.02 0.00 0.00 41.25 39.02 3neg s ASN 72 CO -0.14 0.25 0.33 0.68 -2.57 0.00 0.00 177.10 175.65 3neg s VAL 73 N -0.09 2.64 0.37 1.60 -7.23 -1.26 -1.38 120.40 115.04 3neg s VAL 73 Ca 0.09 -1.42 -0.06 0.00 -1.81 0.00 0.00 61.98 58.78 3neg s VAL 73 Cb -0.12 -3.01 0.09 0.00 0.56 0.00 0.00 36.38 33.90 3neg s VAL 73 CO 0.00 -0.01 0.44 -1.54 -0.31 0.00 0.00 175.10 173.68 3neg n SER 74 N -1.47 -0.45 -0.08 4.85 3.41 -1.26 -5.00 113.62 113.62 3neg n SER 74 Ca 0.02 -1.02 -0.11 0.00 -0.26 0.00 0.00 58.87 57.50 3neg n SER 74 Cb 0.62 -0.35 -0.07 0.00 -0.26 0.00 0.00 64.21 64.15 3neg n SER 74 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3neg h GLU 75 N 0.00 0.00 -0.61 4.33 4.39 -2.01 -3.30 114.58 117.38 3neg h GLU 75 Ca -0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.55 3neg h GLU 75 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 3neg h GLU 75 CO 0.10 0.53 0.00 -0.40 -1.16 0.00 0.00 179.01 178.08 3neg n ASP 76 N -4.59 0.61 -4.62 1.42 5.68 -1.26 -4.79 116.55 109.00 3neg n ASP 76 Ca -0.14 -1.24 -0.43 0.00 -0.50 0.00 0.00 54.79 52.48 3neg n ASP 76 Cb 0.38 -0.30 -0.03 0.00 -1.14 0.00 0.00 41.12 40.03 3neg n ASP 76 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 3neg s PHE 77 N -1.02 1.86 -0.11 2.11 5.36 -1.25 -5.00 117.98 119.93 3neg s PHE 77 Ca 0.00 0.51 -0.03 0.00 -0.96 0.00 0.00 56.93 56.45 3neg s PHE 77 Cb 0.00 -4.05 -0.03 0.00 -0.34 0.00 0.00 43.02 38.60 3neg s PHE 77 CO 0.00 -3.22 -0.00 -1.21 -1.46 0.00 0.00 175.22 169.33 3neg s GLU 78 N 5.18 3.24 -0.97 10.12 2.02 -1.26 -5.00 118.70 132.02 3neg s GLU 78 Ca 0.78 -0.43 -0.24 0.00 0.02 0.00 0.00 54.97 55.11 3neg s GLU 78 Cb -0.26 -2.86 0.01 0.00 0.10 0.00 0.00 34.13 31.11 3neg s GLU 78 CO 0.32 0.55 1.68 1.41 0.02 0.00 0.00 175.26 179.24 3neg s MET 79 N -0.47 3.13 0.04 1.61 -2.45 -1.26 -4.83 119.30 115.07 3neg s MET 79 Ca 0.08 -0.77 -0.12 0.00 -1.25 0.00 0.00 55.69 53.63 3neg s MET 79 Cb -0.12 -5.23 0.01 0.00 1.25 0.00 0.00 34.83 30.74 3neg s MET 79 CO 0.02 -2.74 0.27 -0.98 1.05 0.00 0.00 175.02 172.64 3neg s ARG 80 N 5.87 0.77 0.05 4.11 1.70 -1.26 -5.09 118.95 125.10 3neg s ARG 80 Ca 0.57 -0.55 -0.37 0.00 -0.47 0.00 0.00 55.73 54.91 3neg s ARG 80 Cb -0.03 0.33 -0.19 0.00 -0.57 0.00 0.00 34.95 34.49 3neg s ARG 80 CO -0.05 -0.24 1.01 0.28 -1.08 0.00 0.00 175.30 175.21 3neg n VAL 81 N 0.60 0.37 0.00 4.99 0.31 -1.26 -1.56 118.33 121.79 3neg n VAL 81 Ca -0.19 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 3neg n VAL 81 Cb 0.59 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 3neg n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3neg n GLY 82 N 1.69 2.10 3.89 2.92 0.00 0.01 -5.03 105.19 110.77 3neg n GLY 82 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 3neg n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3neg s THR 84 N -3.32 0.63 -0.00 0.00 -4.23 -1.26 -0.88 115.64 106.57 3neg s THR 84 Ca 0.58 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 3neg s THR 84 Cb -0.11 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 71.89 3neg s THR 84 CO 0.51 -0.72 -0.02 0.00 -0.54 0.00 0.00 174.62 173.85 3neg s ARG 85 N -3.88 0.16 -0.29 3.99 1.70 -0.13 -4.61 118.95 115.90 3neg s ARG 85 Ca 0.16 -0.06 -0.09 0.00 -0.47 0.00 0.00 55.73 55.27 3neg s ARG 85 Cb 0.06 -0.17 -0.02 0.00 -0.57 0.00 0.00 34.95 34.25 3neg s ARG 85 CO -0.02 0.03 0.13 -0.51 -1.08 0.00 0.00 175.30 173.86 3neg s ASP 86 N 0.03 5.49 -0.08 -2.89 1.11 -0.48 -1.25 116.67 118.60 3neg s ASP 86 Ca 0.00 -0.40 0.03 0.00 0.18 0.00 0.00 52.55 52.35 3neg s ASP 86 Cb -0.02 -1.99 -0.02 0.00 1.07 0.00 0.00 42.92 41.96 3neg s ASP 86 CO -0.00 -0.14 -0.16 0.54 1.18 0.00 0.00 175.17 176.59 3neg s VAL 87 N 1.63 2.86 -0.21 -1.27 0.11 0.13 -0.79 120.40 122.86 3neg s VAL 87 Ca 0.05 -0.77 -0.06 0.00 -2.93 0.00 0.00 61.98 58.27 3neg s VAL 87 Cb -0.16 -2.14 -0.03 0.00 -1.53 0.00 0.00 36.38 32.52 3neg s VAL 87 CO 0.06 0.56 0.03 0.21 -3.33 0.00 0.00 175.10 172.63 3neg s ASN 88 N -0.23 5.04 0.38 3.54 3.84 0.13 -0.47 114.94 127.16 3neg s ASN 88 Ca 0.00 -0.15 -0.20 0.00 0.21 0.00 0.00 52.86 52.72 3neg s ASN 88 Cb -0.13 -1.87 -0.10 0.00 -0.55 0.00 0.00 41.25 38.60 3neg s ASN 88 CO 0.03 0.06 0.88 -0.69 -2.79 0.00 0.00 177.10 174.59 3neg s VAL 89 N 1.04 4.46 0.95 -5.21 1.01 0.76 0.86 120.40 124.26 3neg s VAL 89 Ca 0.03 1.37 -0.11 0.00 0.00 0.00 0.00 61.98 63.26 3neg s VAL 89 Cb -0.14 -3.66 0.11 0.00 0.00 0.00 0.00 36.38 32.68 3neg s VAL 89 CO 0.02 -0.20 0.82 2.30 0.00 0.00 0.00 175.10 178.04 3neg n ILE 90 N -0.35 0.00 -2.62 2.22 -5.35 -0.56 -4.54 119.36 108.15 3neg n ILE 90 Ca 0.05 -0.10 -0.38 0.00 -0.27 0.00 0.00 62.75 62.04 3neg n ILE 90 Cb 0.53 -0.84 -0.05 0.00 -1.74 0.00 0.00 39.64 37.54 3neg n ILE 90 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3neg s SER 91 N -2.36 7.20 0.00 7.28 0.01 -1.26 -3.78 113.70 120.78 3neg s SER 91 Ca 0.63 2.03 0.00 0.00 1.31 0.00 0.00 55.95 59.92 3neg s SER 91 Cb -0.22 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.41 3neg s SER 91 CO 0.62 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.70 3neg n GLY 92 N 0.82 0.32 3.97 3.44 0.00 -1.26 -5.08 105.19 107.39 3neg n GLY 92 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 3neg n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3neg s LEU 93 N 0.00 3.41 0.00 0.99 1.43 -1.25 -4.98 118.68 118.28 3neg s LEU 93 Ca 0.00 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 3neg s LEU 93 Cb 0.00 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.28 3neg s LEU 93 CO 0.00 -0.99 0.84 -0.81 0.23 0.00 0.00 176.35 175.62 3neg n PRO 94 N -2.23 0.95 -3.74 1.29 -0.04 -1.26 -4.64 135.00 125.32 3neg n PRO 94 Ca 0.06 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.38 3neg n PRO 94 Cb 0.59 -1.11 -0.14 0.00 -0.04 0.00 0.00 33.50 32.80 3neg n PRO 94 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3neg s ALA 95 N -1.78 -0.28 -0.22 0.55 0.00 -1.26 -4.69 121.76 114.09 3neg s ALA 95 Ca 0.00 0.70 -0.16 0.00 0.00 0.00 0.00 51.96 52.50 3neg s ALA 95 Cb 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 23.12 22.52 3neg s ALA 95 CO 0.00 -0.19 -0.21 0.09 0.00 0.00 0.00 175.76 175.45 3neg n ASN 96 N 4.29 1.91 -4.23 0.00 3.02 -0.45 -4.53 115.26 115.26 3neg n ASN 96 Ca -0.25 0.40 -0.17 0.00 -0.03 0.00 0.00 54.58 54.54 3neg n ASN 96 Cb 0.52 -0.84 -0.11 0.00 -0.61 0.00 0.00 39.78 38.74 3neg n ASN 96 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3neg s THR 97 N -2.54 1.23 -0.02 3.41 -4.23 -1.22 -0.17 115.64 112.10 3neg s THR 97 Ca -0.30 -1.78 -0.01 0.00 -1.18 0.00 0.00 61.69 58.41 3neg s THR 97 Cb 0.08 -1.57 0.01 0.00 1.34 0.00 0.00 72.50 72.37 3neg s THR 97 CO 0.45 -0.51 0.05 -0.55 -0.54 0.00 0.00 174.62 173.52 3neg s SER 98 N -2.61 -0.02 -0.17 3.99 0.15 0.38 -0.80 113.70 114.60 3neg s SER 98 Ca 0.10 0.10 -0.00 0.00 0.70 0.00 0.00 55.95 56.84 3neg s SER 98 Cb -0.03 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 3neg s SER 98 CO 0.02 -0.06 -0.15 -0.60 1.20 0.00 0.00 173.24 173.66 3neg s ARG 99 N 0.39 3.18 0.01 5.44 3.52 0.25 0.19 118.95 131.94 3neg s ARG 99 Ca -0.03 -0.75 0.06 0.00 -0.13 0.00 0.00 55.73 54.88 3neg s ARG 99 Cb -0.04 -2.68 -0.02 0.00 -1.56 0.00 0.00 34.95 30.65 3neg s ARG 99 CO -0.01 -0.09 -0.17 -1.21 -0.81 0.00 0.00 175.30 173.00 3neg s GLU 100 N 1.08 1.28 -0.09 5.12 2.02 -0.38 -0.32 118.70 127.41 3neg s GLU 100 Ca -0.00 -0.72 0.01 0.00 0.02 0.00 0.00 54.97 54.28 3neg s GLU 100 Cb -0.14 -1.29 -0.02 0.00 0.10 0.00 0.00 34.13 32.78 3neg s GLU 100 CO -0.04 0.34 -0.11 0.50 0.02 0.00 0.00 175.26 175.96 3neg s ARG 101 N -0.75 2.97 -0.08 1.61 3.52 0.33 -0.95 118.95 125.59 3neg s ARG 101 Ca 0.06 -0.64 -0.30 0.00 -0.13 0.00 0.00 55.73 54.72 3neg s ARG 101 Cb -0.07 -2.56 -0.03 0.00 -1.56 0.00 0.00 34.95 30.73 3neg s ARG 101 CO 0.00 0.46 1.22 -1.17 -0.81 0.00 0.00 175.30 175.00 3neg s LEU 102 N -0.28 4.25 -0.07 -0.88 2.96 -0.06 -0.70 118.68 123.91 3neg s LEU 102 Ca 0.03 1.79 0.21 0.00 -0.22 0.00 0.00 54.13 55.93 3neg s LEU 102 Cb -0.13 -3.55 -0.30 0.00 0.50 0.00 0.00 46.19 42.71 3neg s LEU 102 CO 0.03 -0.63 0.39 0.47 -1.32 0.00 0.00 176.35 175.29 3neg n ASP 103 N 5.56 0.06 -3.65 3.68 8.00 0.16 -0.81 116.55 129.54 3neg n ASP 103 Ca 0.12 0.02 -0.03 0.00 0.71 0.00 0.00 54.79 55.61 3neg n ASP 103 Cb 0.46 1.60 -0.05 0.00 -0.02 0.00 0.00 41.12 43.11 3neg n ASP 103 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3neg s LEU 104 N -4.87 -1.08 -0.28 0.64 0.20 -1.10 -4.85 118.68 107.35 3neg s LEU 104 Ca -0.08 1.54 0.01 0.00 0.69 0.00 0.00 54.13 56.28 3neg s LEU 104 Cb 0.11 2.28 0.16 0.00 -0.43 0.00 0.00 46.19 48.31 3neg s LEU 104 CO 0.88 -0.22 0.43 -0.22 -0.29 0.00 0.00 176.35 176.93 3neg s LEU 105 N 2.61 -0.87 -0.33 -0.68 1.98 -1.25 -2.50 118.68 117.64 3neg s LEU 105 Ca -0.07 -0.02 0.00 0.00 -2.89 0.00 0.00 54.13 51.16 3neg s LEU 105 Cb -0.11 1.29 0.10 0.00 0.66 0.00 0.00 46.19 48.14 3neg s LEU 105 CO -0.19 -0.32 0.11 -0.62 -1.89 0.00 0.00 176.35 173.44 3neg s ASP 106 N 2.60 4.08 0.02 3.68 3.68 -0.67 -4.98 116.67 125.09 3neg s ASP 106 Ca 0.12 -1.83 0.14 0.00 2.13 0.00 0.00 52.55 53.10 3neg s ASP 106 Cb -0.13 -0.99 0.59 0.00 -1.45 0.00 0.00 42.92 40.93 3neg s ASP 106 CO -0.24 -0.39 1.44 0.47 0.13 0.00 0.00 175.17 176.57 3neg n ASP 107 N 4.60 0.04 -0.01 -0.34 10.43 -1.26 -1.01 116.55 129.00 3neg n ASP 107 Ca 0.00 0.51 -0.21 0.00 2.57 0.00 0.00 54.79 57.67 3neg n ASP 107 Cb 0.41 -0.52 -0.14 0.00 1.84 0.00 0.00 41.12 42.72 3neg n ASP 107 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 3neg h ASP 108 N 0.00 0.31 -0.35 -2.24 3.32 -1.96 -3.36 116.42 112.14 3neg h ASP 108 Ca 0.00 -0.84 0.00 0.00 0.02 0.00 0.00 57.03 56.21 3neg h ASP 108 Cb 0.23 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3neg h ASP 108 CO 0.00 1.52 0.00 0.54 -1.72 0.00 0.00 179.24 179.58 3neg n ARG 109 N -4.07 2.41 -3.74 3.56 1.74 -1.16 -4.99 116.66 110.40 3neg n ARG 109 Ca -0.23 -2.20 -0.32 0.00 -0.77 0.00 0.00 57.85 54.33 3neg n ARG 109 Cb 0.83 -1.48 0.03 0.00 -1.02 0.00 0.00 32.46 30.82 3neg n ARG 109 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3neg n ARG 110 N 1.39 -1.04 -4.64 5.56 1.74 -0.18 -4.68 116.66 114.81 3neg n ARG 110 Ca 0.18 0.47 -0.24 0.00 -0.77 0.00 0.00 57.85 57.49 3neg n ARG 110 Cb 0.58 -3.68 -0.16 0.00 -1.02 0.00 0.00 32.46 28.18 3neg n ARG 110 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3neg s VAL 111 N -3.40 1.15 0.07 1.55 1.01 -1.07 -1.95 120.40 117.77 3neg s VAL 111 Ca 0.40 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 3neg s VAL 111 Cb -0.16 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.21 3neg s VAL 111 CO 0.88 0.34 0.24 0.28 0.00 0.00 0.00 175.10 176.84 3neg s THR 112 N 0.21 0.11 -0.15 3.92 -1.32 -0.31 -1.66 115.64 116.43 3neg s THR 112 Ca -0.06 -0.92 -0.29 0.00 -1.21 0.00 0.00 61.69 59.22 3neg s THR 112 Cb -0.11 -1.10 0.09 0.00 -1.51 0.00 0.00 72.50 69.87 3neg s THR 112 CO 0.02 -0.51 0.79 -0.83 -2.21 0.00 0.00 174.62 171.88 3neg s GLY 113 N -2.43 -0.46 0.18 6.08 0.00 -1.04 0.47 107.32 110.12 3neg s GLY 113 Ca -0.01 1.79 0.03 0.00 0.00 0.00 0.00 44.72 46.54 3neg s GLY 113 CO -0.07 1.27 -0.04 -0.11 0.00 0.00 0.00 173.10 174.14 3neg s PHE 114 N -0.63 1.35 0.27 1.90 -0.12 -0.83 0.36 117.98 120.27 3neg s PHE 114 Ca -0.05 -0.88 0.11 0.00 -0.05 0.00 0.00 56.93 56.06 3neg s PHE 114 Cb -0.02 -0.74 -0.05 0.00 -0.63 0.00 0.00 43.02 41.58 3neg s PHE 114 CO 0.04 -0.03 -0.16 -1.12 -0.05 0.00 0.00 175.22 173.90 3neg s SER 115 N -3.22 3.80 -0.25 1.98 0.01 0.12 -0.97 113.70 115.18 3neg s SER 115 Ca 0.22 -0.92 -0.08 0.00 1.31 0.00 0.00 55.95 56.49 3neg s SER 115 Cb 0.05 -0.43 -0.03 0.00 0.21 0.00 0.00 66.02 65.82 3neg s SER 115 CO 0.04 0.04 0.08 -0.63 0.41 0.00 0.00 173.24 173.18 3neg s ILE 116 N -2.36 4.38 -0.29 1.44 1.01 -0.49 -0.51 121.20 124.38 3neg s ILE 116 Ca 0.29 -0.16 0.14 0.00 0.00 0.00 0.00 60.65 60.92 3neg s ILE 116 Cb -0.06 -3.06 0.48 0.00 0.01 0.00 0.00 42.46 39.83 3neg s ILE 116 CO 0.16 0.32 1.13 0.35 0.00 0.00 0.00 174.94 176.90 3neg n THR 117 N 4.93 1.87 0.00 2.92 -2.24 0.56 -3.94 114.28 118.39 3neg n THR 117 Ca -0.16 -3.64 0.00 0.00 -2.27 0.00 0.00 64.05 57.98 3neg n THR 117 Cb 0.51 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 3neg n THR 117 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3neg n GLY 118 N -0.60 1.12 0.00 3.38 0.00 -1.26 -4.96 105.19 102.87 3neg n GLY 118 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3neg n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3neg n GLY 119 N 1.93 -0.21 3.40 -0.02 0.00 -1.26 0.87 105.19 109.90 3neg n GLY 119 Ca 0.00 -0.89 -0.44 0.00 0.00 0.00 0.00 46.02 44.69 3neg n GLY 119 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3neg n GLU 120 N 0.00 3.44 -3.90 1.61 1.02 0.02 -4.91 120.64 117.92 3neg n GLU 120 Ca 0.00 -4.00 -0.02 0.00 -0.02 0.00 0.00 57.16 53.12 3neg n GLU 120 Cb 0.00 -2.91 0.02 0.00 -0.02 0.00 0.00 31.44 28.53 3neg n GLU 120 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 3neg n HIS 121 N 4.76 -1.15 -2.47 -0.32 1.44 -1.26 -1.35 115.22 114.88 3neg n HIS 121 Ca 0.34 -1.15 -0.22 0.00 -2.01 0.00 0.00 57.72 54.67 3neg n HIS 121 Cb 0.41 0.56 0.01 0.00 0.12 0.00 0.00 29.99 31.09 3neg n HIS 121 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3neg n ARG 122 N -0.77 2.98 -3.28 -1.40 1.74 -1.26 -4.78 116.66 109.89 3neg n ARG 122 Ca -0.01 -4.21 -0.26 0.00 -0.77 0.00 0.00 57.85 52.60 3neg n ARG 122 Cb 0.58 -2.05 -0.07 0.00 -1.02 0.00 0.00 32.46 29.90 3neg n ARG 122 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3neg n LEU 123 N -0.44 3.38 -4.69 0.55 4.77 -1.26 -4.84 117.00 114.47 3neg n LEU 123 Ca 0.33 -5.39 -0.42 0.00 -0.03 0.00 0.00 56.01 50.50 3neg n LEU 123 Cb 0.73 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 3neg n LEU 123 CO 0.32 2.13 1.33 -0.13 -1.33 0.00 0.00 177.39 179.71 3neg s ARG 124 N -2.54 4.20 -0.96 3.23 1.81 -1.26 -3.23 118.95 120.19 3neg s ARG 124 Ca 0.41 2.34 -0.02 0.00 -1.72 0.00 0.00 55.73 56.74 3neg s ARG 124 Cb 0.19 -3.59 0.00 0.00 -0.45 0.00 0.00 34.95 31.10 3neg s ARG 124 CO -0.05 -0.73 0.27 0.09 -0.68 0.00 0.00 175.30 174.19 3neg n ASN 125 N 5.57 -4.18 -4.74 0.23 3.02 -1.25 -1.75 115.26 112.16 3neg n ASN 125 Ca 0.16 -0.13 -0.41 0.00 -0.03 0.00 0.00 54.58 54.17 3neg n ASN 125 Cb 0.40 -3.15 -0.03 0.00 -0.61 0.00 0.00 39.78 36.40 3neg n ASN 125 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3neg s TYR 126 N -2.84 3.21 -0.06 3.10 5.04 -1.20 -4.35 117.35 120.26 3neg s TYR 126 Ca 0.13 1.19 0.00 0.00 -2.44 0.00 0.00 57.07 55.96 3neg s TYR 126 Cb -0.06 -3.64 0.02 0.00 0.35 0.00 0.00 41.96 38.64 3neg s TYR 126 CO 0.17 -2.00 -0.04 0.21 -1.34 0.00 0.00 175.55 172.54 3neg s LYS 127 N -0.20 0.89 0.11 4.97 2.20 0.02 -1.39 119.74 126.33 3neg s LYS 127 Ca 0.57 -0.07 0.08 0.00 -0.36 0.00 0.00 55.97 56.19 3neg s LYS 127 Cb -0.37 -0.99 -0.04 0.00 -1.51 0.00 0.00 37.83 34.92 3neg s LYS 127 CO 0.39 -0.16 -0.21 0.45 -0.36 0.00 0.00 175.35 175.46 3neg s SER 128 N 1.32 2.56 0.02 1.43 0.15 -0.14 -0.95 113.70 118.09 3neg s SER 128 Ca -0.05 -0.71 0.02 0.00 0.70 0.00 0.00 55.95 55.92 3neg s SER 128 Cb -0.14 -0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 64.02 3neg s SER 128 CO -0.02 0.05 -0.08 -0.69 1.20 0.00 0.00 173.24 173.70 3neg s VAL 129 N -1.25 0.57 -0.03 4.45 1.01 -0.72 -1.97 120.40 122.46 3neg s VAL 129 Ca 0.07 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3neg s VAL 129 Cb -0.10 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.75 3neg s VAL 129 CO 0.04 -0.12 -0.03 -0.89 0.00 0.00 0.00 175.10 174.11 3neg s THR 130 N -0.77 0.36 0.04 3.92 2.01 0.18 -0.90 115.64 120.46 3neg s THR 130 Ca -0.03 -0.06 0.04 0.00 0.31 0.00 0.00 61.69 61.95 3neg s THR 130 Cb -0.06 -0.39 -0.02 0.00 0.01 0.00 0.00 72.50 72.04 3neg s THR 130 CO 0.00 0.17 -0.13 0.42 -0.69 0.00 0.00 174.62 174.39 3neg s THR 131 N 0.71 0.98 0.09 -0.82 -4.23 -0.18 -1.16 115.64 111.03 3neg s THR 131 Ca -0.08 -0.96 0.09 0.00 -1.18 0.00 0.00 61.69 59.55 3neg s THR 131 Cb -0.11 -0.91 -0.04 0.00 1.34 0.00 0.00 72.50 72.78 3neg s THR 131 CO -0.01 -0.05 -0.21 0.68 -0.54 0.00 0.00 174.62 174.50 3neg s VAL 132 N -0.88 2.64 0.05 2.29 -7.23 -0.82 -1.36 120.40 115.09 3neg s VAL 132 Ca -0.00 -1.45 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 3neg s VAL 132 Cb -0.08 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.67 3neg s VAL 132 CO 0.01 0.19 -0.06 -1.00 -0.31 0.00 0.00 175.10 173.94 3neg s HIS 133 N -1.03 0.61 0.09 2.82 3.76 -0.29 -4.81 115.29 116.45 3neg s HIS 133 Ca 0.16 -0.72 -0.02 0.00 -0.15 0.00 0.00 55.06 54.32 3neg s HIS 133 Cb -0.10 -0.38 -0.05 0.00 1.11 0.00 0.00 32.58 33.16 3neg s HIS 133 CO 0.07 -0.18 0.28 0.50 -0.85 0.00 0.00 174.74 174.56 3neg s ARG 134 N -2.59 3.52 -0.04 1.40 3.52 -1.26 -2.16 118.95 121.34 3neg s ARG 134 Ca -0.02 -0.28 -0.02 0.00 -0.13 0.00 0.00 55.73 55.27 3neg s ARG 134 Cb -0.03 -2.96 0.02 0.00 -1.56 0.00 0.00 34.95 30.42 3neg s ARG 134 CO -0.03 0.55 0.09 -0.06 -0.81 0.00 0.00 175.30 175.04 3neg s PHE 135 N -1.56 -0.09 0.10 5.12 0.08 -0.28 -4.89 117.98 116.47 3neg s PHE 135 Ca 0.37 0.28 0.04 0.00 0.12 0.00 0.00 56.93 57.74 3neg s PHE 135 Cb -0.13 -0.06 -0.04 0.00 -0.57 0.00 0.00 43.02 42.23 3neg s PHE 135 CO 0.26 -0.09 -0.10 -1.21 -0.10 0.00 0.00 175.22 173.98 3neg s GLU 136 N 0.60 0.88 0.00 0.44 2.02 -1.26 -1.90 118.70 119.47 3neg s GLU 136 Ca -0.05 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 53.76 3neg s GLU 136 Cb -0.06 -0.57 0.00 0.00 0.10 0.00 0.00 34.13 33.60 3neg s GLU 136 CO -0.02 0.09 0.00 0.36 0.02 0.00 0.00 175.26 175.70 3neg n LYS 137 N 0.50 0.00 -2.00 1.61 -0.00 -1.26 -5.06 118.16 111.95 3neg n LYS 137 Ca -0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.13 3neg n LYS 137 Cb 0.58 -0.21 -0.02 0.00 -0.00 0.00 0.00 35.03 35.38 3neg n LYS 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3neg n ARG 143 N -2.17 -2.06 -3.89 -1.58 1.74 -1.26 -5.27 116.66 102.18 3neg n ARG 143 Ca 0.00 1.83 -0.30 0.00 -0.77 0.00 0.00 57.85 58.61 3neg n ARG 143 Cb 0.03 -2.87 -0.16 0.00 -1.02 0.00 0.00 32.46 28.44 3neg n ARG 143 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3neg s ILE 144 N -0.34 1.30 0.47 0.55 1.09 -1.26 -5.04 121.20 117.96 3neg s ILE 144 Ca -0.12 -1.13 0.05 0.00 -1.10 0.00 0.00 60.65 58.35 3neg s ILE 144 Cb 0.01 -1.65 -0.03 0.00 -1.06 0.00 0.00 42.46 39.72 3neg s ILE 144 CO 0.36 -0.18 0.12 -1.66 -0.10 0.00 0.00 174.94 173.49 3neg s TRP 145 N 1.49 2.18 0.13 3.97 -2.14 -0.80 -4.47 118.94 119.31 3neg s TRP 145 Ca -0.03 -0.77 0.11 0.00 2.66 0.00 0.00 56.10 58.06 3neg s TRP 145 Cb -0.18 -1.80 -0.04 0.00 -3.10 0.00 0.00 33.47 28.35 3neg s TRP 145 CO -0.08 0.15 -0.25 0.99 -2.66 0.00 0.00 176.95 175.10 3neg s THR 146 N -2.75 2.40 -0.08 0.66 2.01 -0.46 -1.12 115.64 116.30 3neg s THR 146 Ca 0.27 -1.73 0.02 0.00 0.31 0.00 0.00 61.69 60.56 3neg s THR 146 Cb 0.03 -2.08 0.01 0.00 0.01 0.00 0.00 72.50 70.47 3neg s THR 146 CO 0.15 0.07 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.30 3neg s VAL 147 N -1.14 1.43 -0.18 3.82 1.01 -0.92 -0.82 120.40 123.61 3neg s VAL 147 Ca 0.16 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 3neg s VAL 147 Cb -0.10 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3neg s VAL 147 CO 0.07 0.42 0.05 -0.69 0.00 0.00 0.00 175.10 174.95 3neg s VAL 148 N 0.68 4.67 -0.13 2.92 1.01 -0.28 -1.14 120.40 128.13 3neg s VAL 148 Ca -0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 3neg s VAL 148 Cb -0.16 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 3neg s VAL 148 CO 0.04 0.47 -0.10 -0.76 0.00 0.00 0.00 175.10 174.75 3neg s LEU 149 N 0.31 2.92 -0.05 3.92 1.43 -0.46 -0.97 118.68 125.78 3neg s LEU 149 Ca 0.02 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 3neg s LEU 149 Cb -0.13 -1.67 0.01 0.00 0.03 0.00 0.00 46.19 44.44 3neg s LEU 149 CO 0.01 0.20 -0.11 -0.70 0.23 0.00 0.00 176.35 175.97 3neg s GLU 150 N 0.18 1.43 0.32 1.70 2.12 0.54 -1.01 118.70 123.98 3neg s GLU 150 Ca -0.05 -0.36 0.03 0.00 0.36 0.00 0.00 54.97 54.95 3neg s GLU 150 Cb -0.15 -1.23 -0.05 0.00 0.26 0.00 0.00 34.13 32.96 3neg s GLU 150 CO 0.04 0.04 0.08 -1.54 -0.54 0.00 0.00 175.26 173.34 3neg s SER 151 N 0.57 2.15 0.19 -1.70 1.04 -0.08 0.28 113.70 116.14 3neg s SER 151 Ca -0.11 -1.43 -0.23 0.00 0.48 0.00 0.00 55.95 54.66 3neg s SER 151 Cb -0.14 0.07 0.06 0.00 0.10 0.00 0.00 66.02 66.11 3neg s SER 151 CO 0.02 -0.69 0.68 -0.72 0.98 0.00 0.00 173.24 173.52 3neg s TYR 152 N -3.39 -0.38 0.10 5.02 1.13 -0.93 -1.76 117.35 117.14 3neg s TYR 152 Ca 0.35 0.09 0.03 0.00 -1.41 0.00 0.00 57.07 56.13 3neg s TYR 152 Cb 0.08 0.61 -0.04 0.00 -1.10 0.00 0.00 41.96 41.51 3neg s TYR 152 CO 0.15 -0.96 -0.09 0.54 -2.51 0.00 0.00 175.55 172.68 3neg s VAL 153 N -3.73 0.88 0.01 -3.49 0.11 -0.12 -2.16 120.40 111.89 3neg s VAL 153 Ca 0.05 -1.76 -0.28 0.00 -2.93 0.00 0.00 61.98 57.06 3neg s VAL 153 Cb -0.03 -1.48 0.10 0.00 -1.53 0.00 0.00 36.38 33.44 3neg s VAL 153 CO -0.05 -0.67 0.87 0.54 -3.33 0.00 0.00 175.10 172.46 3neg s VAL 154 N -2.85 0.00 0.32 2.04 0.11 -0.50 -0.80 120.40 118.72 3neg s VAL 154 Ca 0.08 -0.01 -0.26 0.00 -2.93 0.00 0.00 61.98 58.86 3neg s VAL 154 Cb -0.00 -1.01 -0.10 0.00 -1.53 0.00 0.00 36.38 33.74 3neg s VAL 154 CO -0.01 0.00 0.97 -1.81 -3.33 0.00 0.00 175.10 170.92 3neg s ASP 155 N -2.50 7.29 -0.44 3.54 1.11 -0.72 -1.75 116.67 123.20 3neg s ASP 155 Ca 0.05 1.91 -0.19 0.00 0.18 0.00 0.00 52.55 54.50 3neg s ASP 155 Cb -0.01 -2.59 0.03 0.00 1.07 0.00 0.00 42.92 41.42 3neg s ASP 155 CO -0.09 -0.10 0.53 -0.69 1.18 0.00 0.00 175.17 176.00 3neg s VAL 156 N -1.54 4.97 0.67 -1.27 1.01 -0.00 -4.58 120.40 119.65 3neg s VAL 156 Ca 0.50 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 62.12 3neg s VAL 156 Cb -0.21 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 31.98 3neg s VAL 156 CO 0.26 -0.52 0.41 -2.65 0.00 0.00 0.00 175.10 172.60 3neg n PRO 157 N 5.90 0.32 0.00 2.72 -0.02 -1.26 -4.89 135.00 137.77 3neg n PRO 157 Ca -0.05 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3neg n PRO 157 Cb 0.47 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 3neg n PRO 157 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3neg n GLU 158 N -0.17 0.00 -1.22 -0.52 4.07 -1.26 -2.25 120.64 119.30 3neg n GLU 158 Ca 0.10 0.50 -0.29 0.00 -0.06 0.00 0.00 57.16 57.41 3neg n GLU 158 Cb 0.49 -0.88 0.06 0.00 -0.06 0.00 0.00 31.44 31.05 3neg n GLU 158 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3neg n GLY 159 N -0.92 5.21 3.39 8.31 0.00 -1.26 -4.92 105.19 115.00 3neg n GLY 159 Ca 0.00 -1.89 -0.25 0.00 0.00 0.00 0.00 46.02 43.87 3neg n GLY 159 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3neg s ASN 160 N -1.04 3.18 0.40 1.61 -0.87 -0.95 -5.14 114.94 112.13 3neg s ASN 160 Ca 0.53 -0.87 -0.07 0.00 -1.57 0.00 0.00 52.86 50.88 3neg s ASN 160 Cb 0.41 -0.22 -0.05 0.00 -0.02 0.00 0.00 41.25 41.37 3neg s ASN 160 CO -0.03 0.07 0.72 -0.94 -2.57 0.00 0.00 177.10 174.34 3neg s SER 161 N -2.68 6.41 0.27 -1.22 1.04 -1.26 -4.78 113.70 111.47 3neg s SER 161 Ca 0.19 0.94 -0.00 0.00 0.48 0.00 0.00 55.95 57.56 3neg s SER 161 Cb -0.07 -2.24 0.36 0.00 0.10 0.00 0.00 66.02 64.16 3neg s SER 161 CO 0.09 -0.41 1.73 -0.08 0.98 0.00 0.00 173.24 175.55 3neg h GLU 162 N 0.98 0.64 -0.84 4.02 4.81 -1.96 -2.43 114.58 119.80 3neg h GLU 162 Ca -0.47 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 58.54 3neg h GLU 162 Cb 1.20 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.48 3neg h GLU 162 CO 0.63 0.76 0.51 1.49 -0.73 0.00 0.00 179.01 181.67 3neg h GLU 163 N 0.58 1.14 0.28 1.92 4.81 -1.99 -0.99 114.58 120.33 3neg h GLU 163 Ca 0.10 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3neg h GLU 163 Cb 0.58 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3neg h GLU 163 CO 0.04 0.80 -0.23 -0.44 -0.73 0.00 0.00 179.01 178.44 3neg h ASP 164 N 1.15 -0.61 -0.93 1.04 3.32 -1.87 -1.21 116.42 117.31 3neg h ASP 164 Ca 0.30 0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.48 3neg h ASP 164 Cb -0.05 0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.64 3neg h ASP 164 CO -0.06 -0.35 0.60 0.74 -1.72 0.00 0.00 179.24 178.45 3neg h THR 165 N -0.53 1.03 -0.14 0.35 2.02 -1.20 -2.05 112.91 112.38 3neg h THR 165 Ca -0.02 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 3neg h THR 165 Cb 0.47 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 3neg h THR 165 CO -0.02 0.18 -0.08 -0.09 0.37 0.00 0.00 175.52 175.88 3neg h ARG 166 N 1.01 0.31 -0.59 6.66 2.43 -0.94 -2.56 114.38 120.70 3neg h ARG 166 Ca 0.41 -0.14 0.11 0.00 -0.81 0.00 0.00 59.98 59.56 3neg h ARG 166 Cb 0.28 -0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 29.71 3neg h ARG 166 CO -0.17 0.65 -0.23 -0.07 -1.51 0.00 0.00 179.97 178.64 3neg h LEU 167 N -0.04 -0.81 0.00 3.80 4.07 -0.89 0.21 115.31 121.65 3neg h LEU 167 Ca 0.03 0.20 0.00 0.00 0.08 0.00 0.00 57.88 58.19 3neg h LEU 167 Cb 0.57 0.46 0.00 0.00 1.08 0.00 0.00 40.66 42.77 3neg h LEU 167 CO 0.02 -0.25 0.00 0.33 -1.08 0.00 0.00 178.44 177.46 3neg n PHE 168 N -5.43 0.00 -0.16 1.13 7.35 -0.80 -1.48 117.46 118.07 3neg n PHE 168 Ca 0.06 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.72 3neg n PHE 168 Cb 0.34 -0.42 0.04 0.00 0.35 0.00 0.00 39.48 39.80 3neg n PHE 168 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3neg h ALA 169 N -1.66 0.36 -0.91 3.13 0.00 -1.35 0.28 119.26 119.12 3neg h ALA 169 Ca 0.00 0.19 0.25 0.00 0.00 0.00 0.00 54.91 55.34 3neg h ALA 169 Cb 0.00 0.36 -0.14 0.00 0.00 0.00 0.00 17.79 18.02 3neg h ALA 169 CO 0.00 -0.43 0.36 -0.44 0.00 0.00 0.00 179.25 178.73 3neg h ASP 170 N 0.02 0.22 -0.36 0.00 5.19 -0.52 -1.51 116.42 119.46 3neg h ASP 170 Ca 0.25 0.18 -0.07 0.00 -0.62 0.00 0.00 57.03 56.77 3neg h ASP 170 Cb 0.38 0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.07 3neg h ASP 170 CO -0.51 -0.09 -0.04 0.74 -3.12 0.00 0.00 179.24 176.22 3neg h THR 171 N 0.30 1.27 -0.35 0.35 2.02 0.20 0.40 112.91 117.09 3neg h THR 171 Ca 0.59 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 3neg h THR 171 Cb 1.20 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.83 3neg h THR 171 CO -0.60 0.35 0.20 0.58 0.37 0.00 0.00 175.52 176.43 3neg h VAL 172 N 0.47 1.13 -0.37 3.16 2.07 -1.24 -0.95 116.25 120.53 3neg h VAL 172 Ca 0.10 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 3neg h VAL 172 Cb 0.53 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3neg h VAL 172 CO 0.03 0.14 -0.10 0.40 0.02 0.00 0.00 177.57 178.06 3neg h ILE 173 N 0.45 1.28 -0.69 4.57 2.04 -1.07 -0.74 117.51 123.35 3neg h ILE 173 Ca 0.13 -1.17 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 3neg h ILE 173 Cb 0.04 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3neg h ILE 173 CO -0.02 0.39 0.42 -0.09 0.00 0.00 0.00 178.15 178.85 3neg h ARG 174 N 0.52 0.93 -0.35 2.37 2.43 0.05 -0.75 114.38 119.59 3neg h ARG 174 Ca 0.09 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 3neg h ARG 174 Cb 0.61 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3neg h ARG 174 CO 0.04 0.66 -0.23 -0.07 -1.51 0.00 0.00 179.97 178.85 3neg h LEU 175 N 0.94 0.81 -0.47 3.80 3.38 -0.99 -2.35 115.31 120.43 3neg h LEU 175 Ca 0.25 -0.43 0.09 0.00 0.09 0.00 0.00 57.88 57.88 3neg h LEU 175 Cb -0.04 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.40 3neg h LEU 175 CO -0.05 1.07 -0.05 0.78 0.09 0.00 0.00 178.44 180.28 3neg h ASN 176 N 0.56 -0.29 0.01 -0.43 2.35 -0.59 -0.49 115.58 116.69 3neg h ASN 176 Ca 0.07 0.12 -0.06 0.00 -0.55 0.00 0.00 56.30 55.88 3neg h ASN 176 Cb 0.79 0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 3neg h ASN 176 CO 0.06 -0.10 -0.17 -0.07 -1.65 0.00 0.00 177.43 175.50 3neg h LEU 177 N 0.06 0.29 -1.16 1.61 3.38 -0.97 0.38 115.31 118.91 3neg h LEU 177 Ca 0.23 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3neg h LEU 177 Cb 0.35 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3neg h LEU 177 CO -0.43 0.49 -0.11 1.56 0.09 0.00 0.00 178.44 180.04 3neg h GLN 178 N 0.28 0.46 -0.20 1.13 4.20 -0.59 0.27 115.11 120.66 3neg h GLN 178 Ca 0.05 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.53 3neg h GLN 178 Cb 0.47 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 3neg h GLN 178 CO 0.03 0.57 -0.33 -0.22 -0.67 0.00 0.00 178.83 178.21 3neg h LYS 179 N 0.43 0.57 -0.16 1.46 3.64 0.07 -0.82 116.57 121.75 3neg h LYS 179 Ca 0.08 -0.35 0.04 0.00 -1.27 0.00 0.00 60.65 59.16 3neg h LYS 179 Cb 0.45 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.26 3neg h LYS 179 CO 0.02 0.96 -0.12 1.25 -2.27 0.00 0.00 179.45 179.29 3neg h LEU 180 N 0.24 -0.38 -0.27 5.20 5.85 -0.42 -0.78 115.31 124.75 3neg h LEU 180 Ca 0.02 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.88 3neg h LEU 180 Cb 0.91 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 42.07 3neg h LEU 180 CO 0.07 -0.16 -0.19 0.00 -0.34 0.00 0.00 178.44 177.83 3neg h ALA 181 N 0.99 -0.01 -0.24 1.25 0.00 -0.42 -2.16 119.26 118.67 3neg h ALA 181 Ca 0.10 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3neg h ALA 181 Cb 0.27 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3neg h ALA 181 CO -0.24 -0.60 0.08 1.03 0.00 0.00 0.00 179.25 179.52 3neg h SER 182 N -0.17 0.09 0.30 0.00 0.87 -0.04 -0.14 113.55 114.46 3neg h SER 182 Ca 0.15 0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.56 3neg h SER 182 Cb 0.40 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 3neg h SER 182 CO -0.37 0.08 -0.67 0.16 -0.53 0.00 0.00 176.83 175.50 3neg h ILE 183 N 0.19 1.38 0.04 2.23 3.07 -1.15 -2.64 117.51 120.63 3neg h ILE 183 Ca 0.10 -2.07 -0.22 0.00 1.55 0.00 0.00 64.86 64.22 3neg h ILE 183 Cb 0.07 2.06 -0.02 0.00 -0.27 0.00 0.00 36.82 38.66 3neg h ILE 183 CO -0.11 0.62 -1.03 0.71 -1.05 0.00 0.00 178.15 177.30 3neg h THR 184 N 0.24 1.60 0.00 0.16 1.35 -1.07 -1.92 112.91 113.28 3neg h THR 184 Ca -0.02 -3.09 0.00 0.00 -0.55 0.00 0.00 66.41 62.75 3neg h THR 184 Cb 1.22 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 70.40 3neg h THR 184 CO 0.11 0.89 0.00 -0.33 -0.25 0.00 0.00 175.52 175.94 3neg h GLU 185 N 0.05 0.00 -0.06 4.72 5.08 -1.07 -3.38 114.58 119.91 3neg h GLU 185 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3neg h GLU 185 Cb 1.74 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.99 3neg h GLU 185 CO 0.15 0.00 0.04 0.00 -1.00 0.00 0.00 179.01 178.20 3neg h ALA 186 N 2.28 0.08 0.08 3.43 0.00 -0.95 -2.66 119.26 121.52 3neg h ALA 186 Ca 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 3neg h ALA 186 Cb 0.46 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.25 3neg h ALA 186 CO 0.00 -0.41 -1.17 1.98 0.00 0.00 0.00 179.25 179.65 3neg h MET 187 N 0.06 0.61 0.00 0.00 1.85 -1.74 -3.47 114.93 112.24 3neg h MET 187 Ca 0.02 -0.76 0.00 0.00 -0.61 0.00 0.00 59.70 58.35 3neg h MET 187 Cb 0.02 0.24 0.00 0.00 0.43 0.00 0.00 31.60 32.29 3neg h MET 187 CO -0.00 1.33 0.00 0.09 -0.40 0.00 0.00 176.91 177.93 3neg n ASN 188 N -3.79 0.00 0.00 1.39 5.03 -1.00 -5.22 115.26 111.67 3neg n ASN 188 Ca -0.12 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.33 3neg n ASN 188 Cb 0.95 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.71 3neg n ASN 188 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29