#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dax s SER 2 N 0.00 3.57 0.41 1.61 1.04 -1.26 -5.10 113.70 113.97 2dax s SER 2 Ca 0.00 0.22 0.08 0.00 0.48 0.00 0.00 55.95 56.73 2dax s SER 2 Cb 0.00 -0.41 -0.04 0.00 0.10 0.00 0.00 66.02 65.68 2dax s SER 2 CO 0.00 -2.43 0.26 -0.44 0.98 0.00 0.00 173.24 171.61 2dax s SER 3 N -4.81 4.73 0.00 7.02 0.01 -1.26 -5.10 113.70 114.29 2dax s SER 3 Ca 0.71 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 57.07 2dax s SER 3 Cb -0.05 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.63 2dax s SER 3 CO 0.51 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 174.20 2dax n GLY 4 N -1.36 -0.28 3.60 3.44 0.00 -1.26 -5.11 105.19 104.22 2dax n GLY 4 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 2dax n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dax s SER 5 N -2.99 -0.70 -0.26 1.61 0.15 -1.26 -5.07 113.70 105.17 2dax s SER 5 Ca 0.00 1.19 -0.09 0.00 0.70 0.00 0.00 55.95 57.75 2dax s SER 5 Cb 0.00 1.15 -0.13 0.00 -1.71 0.00 0.00 66.02 65.33 2dax s SER 5 CO 0.00 -0.35 -0.30 -1.20 1.20 0.00 0.00 173.24 172.58 2dax n SER 6 N 2.11 1.93 -0.90 5.45 7.64 -1.26 -4.97 113.62 123.62 2dax n SER 6 Ca -0.15 0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2dax n SER 6 Cb 0.56 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 2dax n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dax n GLY 7 N 1.63 0.56 0.16 0.23 0.00 -1.26 -4.88 105.19 101.63 2dax n GLY 7 Ca -0.50 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 2dax n GLY 7 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2dax h GLU 8 N 0.00 0.49 -0.98 1.61 4.11 -2.01 -3.18 114.58 114.62 2dax h GLU 8 Ca 0.00 -0.29 0.33 0.00 0.07 0.00 0.00 59.36 59.47 2dax h GLU 8 Cb 0.60 0.02 -0.17 0.00 0.50 0.00 0.00 28.75 29.71 2dax h GLU 8 CO 0.00 0.88 0.38 0.37 0.07 0.00 0.00 179.01 180.71 2dax h GLN 9 N 0.14 0.12 -0.30 1.06 4.15 -1.96 0.52 115.11 118.83 2dax h GLN 9 Ca 0.02 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.47 2dax h GLN 9 Cb 0.83 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.46 2dax h GLN 9 CO 0.06 0.08 0.09 0.00 -1.93 0.00 0.00 178.83 177.13 2dax h ALA 10 N 1.92 0.34 -0.60 3.38 0.00 -1.93 -2.47 119.26 119.89 2dax h ALA 10 Ca 0.71 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.57 2dax h ALA 10 Cb 1.68 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 2dax h ALA 10 CO -0.74 -0.31 0.01 0.93 0.00 0.00 0.00 179.25 179.14 2dax h GLU 11 N 0.22 1.05 -0.94 0.00 5.08 -0.17 -2.75 114.58 117.07 2dax h GLU 11 Ca 0.13 -0.33 0.18 0.00 -1.00 0.00 0.00 59.36 58.35 2dax h GLU 11 Cb 0.11 -0.10 -0.17 0.00 0.50 0.00 0.00 28.75 29.09 2dax h GLU 11 CO -0.15 1.02 -0.27 0.00 -1.00 0.00 0.00 179.01 178.62 2dax h ALA 12 N 1.03 0.52 -0.04 3.43 0.00 -0.58 0.54 119.26 124.16 2dax h ALA 12 Ca 0.17 0.35 -0.08 0.00 0.00 0.00 0.00 54.91 55.35 2dax h ALA 12 Cb 0.54 0.78 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2dax h ALA 12 CO 0.03 -0.44 -0.28 1.96 0.00 0.00 0.00 179.25 180.52 2dax h GLN 13 N -0.01 0.26 0.17 0.00 4.20 -1.51 -3.28 115.11 114.94 2dax h GLN 13 Ca 0.43 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 2dax h GLN 13 Cb 0.67 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 2dax h GLN 13 CO -0.97 0.89 -0.28 1.25 -0.67 0.00 0.00 178.83 179.05 2dax h LEU 14 N -0.30 -0.81 -0.75 1.46 5.85 -0.71 -2.33 115.31 117.73 2dax h LEU 14 Ca -0.02 0.07 0.13 0.00 0.84 0.00 0.00 57.88 58.90 2dax h LEU 14 Cb 0.96 0.28 -0.13 0.00 0.37 0.00 0.00 40.66 42.14 2dax h LEU 14 CO 0.06 -0.33 -0.26 0.00 -0.34 0.00 0.00 178.44 177.56 2dax n ALA 15 N -2.63 -0.01 0.02 1.25 0.00 0.17 0.77 120.51 120.09 2dax n ALA 15 Ca -0.06 0.77 -0.10 0.00 0.00 0.00 0.00 53.44 54.05 2dax n ALA 15 Cb 0.24 -0.38 -0.04 0.00 0.00 0.00 0.00 19.45 19.27 2dax n ALA 15 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2dax h GLU 16 N 0.00 -0.28 -0.11 0.00 4.57 -1.53 0.87 114.58 118.09 2dax h GLU 16 Ca 0.29 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.53 2dax h GLU 16 Cb 0.48 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.09 2dax h GLU 16 CO -0.75 -0.19 -0.15 -0.07 -1.18 0.00 0.00 179.01 176.67 2dax h LEU 17 N -0.29 -0.45 -0.35 1.64 3.38 0.89 -0.56 115.31 119.56 2dax h LEU 17 Ca 0.08 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.19 2dax h LEU 17 Cb 0.41 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 2dax h LEU 17 CO -0.24 -0.19 0.06 -0.78 0.09 0.00 0.00 178.44 177.37 2dax h ASP 18 N -0.19 -0.01 0.39 -0.43 1.82 -0.62 -2.75 116.42 114.62 2dax h ASP 18 Ca 0.09 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.77 2dax h ASP 18 Cb 0.31 0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 2dax h ASP 18 CO -0.22 0.03 -0.30 0.25 -1.61 0.00 0.00 179.24 177.39 2dax h LEU 19 N 0.18 -0.79 -0.77 2.28 6.46 -0.35 -2.91 115.31 119.41 2dax h LEU 19 Ca 0.17 0.05 0.13 0.00 -0.12 0.00 0.00 57.88 58.11 2dax h LEU 19 Cb 0.20 0.25 -0.13 0.00 -0.73 0.00 0.00 40.66 40.24 2dax h LEU 19 CO -0.23 -0.42 -0.26 0.18 -0.62 0.00 0.00 178.44 177.09 2dax n LEU 20 N -4.19 -0.42 -0.31 2.25 4.77 -0.26 0.14 117.00 118.99 2dax n LEU 20 Ca -0.08 1.34 0.11 0.00 -0.03 0.00 0.00 56.01 57.34 2dax n LEU 20 Cb 0.29 -0.34 0.23 0.00 -2.33 0.00 0.00 43.42 41.27 2dax n LEU 20 CO 0.18 -1.23 0.81 0.00 -1.33 0.00 0.00 177.39 175.82 2dax h ALA 21 N 1.24 1.01 -0.30 -1.18 0.00 -1.28 0.32 119.26 119.07 2dax h ALA 21 Ca 0.31 0.30 -0.07 0.00 0.00 0.00 0.00 54.91 55.45 2dax h ALA 21 Cb 0.50 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2dax h ALA 21 CO -0.78 -0.50 -0.08 0.66 0.00 0.00 0.00 179.25 178.55 2dax h SER 22 N 0.06 0.59 -0.84 0.00 4.64 0.12 -3.01 113.55 115.12 2dax h SER 22 Ca 0.52 -0.37 0.07 0.00 -0.47 0.00 0.00 61.79 61.54 2dax h SER 22 Cb 1.01 -0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 62.88 2dax h SER 22 CO -0.81 0.83 0.55 0.24 -0.87 0.00 0.00 176.83 176.76 2dax h MET 23 N 0.35 0.88 -2.87 4.77 2.07 0.15 -3.15 114.93 117.13 2dax h MET 23 Ca 0.07 -0.05 -0.73 0.00 -2.07 0.00 0.00 59.70 56.92 2dax h MET 23 Cb 0.58 -0.20 -0.34 0.00 -1.87 0.00 0.00 31.60 29.77 2dax h MET 23 CO 0.03 0.58 0.18 1.19 1.07 0.00 0.00 176.91 179.97 2dax n PHE 24 N -4.49 3.34 0.14 -0.22 3.01 0.35 -4.84 117.46 114.75 2dax n PHE 24 Ca 0.13 -3.48 -0.00 0.00 1.01 0.00 0.00 57.45 55.11 2dax n PHE 24 Cb 0.23 -1.08 0.25 0.00 -0.01 0.00 0.00 39.48 38.87 2dax n PHE 24 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2dax h PRO 25 N 5.32 0.07 -5.04 -1.08 0.13 -1.61 -3.42 132.00 126.38 2dax h PRO 25 Ca 0.19 -0.04 -0.52 0.00 -0.87 0.00 0.00 66.00 64.76 2dax h PRO 25 Cb 0.69 0.00 0.14 0.00 0.13 0.00 0.00 31.00 31.96 2dax h PRO 25 CO 1.07 0.54 -0.85 0.41 -0.23 0.00 0.00 178.00 178.94 2dax n GLY 26 N -0.11 -2.42 0.20 1.56 0.00 -1.26 -4.83 105.19 98.33 2dax n GLY 26 Ca -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 2dax n GLY 26 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2dax h GLU 27 N 0.19 0.25 -1.11 1.61 4.57 -1.96 -3.26 114.58 114.87 2dax h GLU 27 Ca -0.32 -0.12 -0.49 0.00 -1.18 0.00 0.00 59.36 57.25 2dax h GLU 27 Cb 1.22 -0.00 -0.42 0.00 -0.16 0.00 0.00 28.75 29.39 2dax h GLU 27 CO 0.38 0.63 -0.90 0.27 -1.18 0.00 0.00 179.01 178.21 2dax n ASN 28 N -4.02 3.65 -0.10 1.04 0.23 -1.26 -4.77 115.26 110.04 2dax n ASN 28 Ca -0.02 -3.30 -0.13 0.00 -0.53 0.00 0.00 54.58 50.60 2dax n ASN 28 Cb 0.49 -0.45 -0.09 0.00 -2.08 0.00 0.00 39.78 37.64 2dax n ASN 28 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2dax n GLU 29 N -0.45 0.56 -3.91 -3.83 -0.58 -1.23 -4.73 120.64 106.48 2dax n GLU 29 Ca 0.30 0.11 -0.11 0.00 -0.42 0.00 0.00 57.16 57.03 2dax n GLU 29 Cb 0.78 -1.40 -0.12 0.00 -0.57 0.00 0.00 31.44 30.13 2dax n GLU 29 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2dax s LEU 30 N -6.08 1.97 -0.07 -4.62 0.20 -1.26 0.65 118.68 109.46 2dax s LEU 30 Ca -0.25 -0.17 -0.03 0.00 0.69 0.00 0.00 54.13 54.36 2dax s LEU 30 Cb 0.07 0.17 0.04 0.00 -0.43 0.00 0.00 46.19 46.04 2dax s LEU 30 CO 0.47 -0.16 0.14 -0.63 -0.29 0.00 0.00 176.35 175.88 2dax s ILE 31 N -0.69 -0.23 -0.70 6.68 1.09 -0.31 -4.96 121.20 122.08 2dax s ILE 31 Ca -0.08 0.37 -0.17 0.00 -1.10 0.00 0.00 60.65 59.68 2dax s ILE 31 Cb -0.05 -0.26 0.15 0.00 -1.06 0.00 0.00 42.46 41.24 2dax s ILE 31 CO -0.00 0.16 0.75 -0.69 -0.10 0.00 0.00 174.94 175.05 2dax s VAL 32 N 2.27 5.12 0.05 2.92 1.01 -1.26 -1.50 120.40 129.00 2dax s VAL 32 Ca 0.04 -1.62 -0.25 0.00 0.00 0.00 0.00 61.98 60.15 2dax s VAL 32 Cb -0.12 -4.50 -0.17 0.00 0.00 0.00 0.00 36.38 31.59 2dax s VAL 32 CO -0.05 -1.11 1.54 0.78 0.00 0.00 0.00 175.10 176.26 2dax h ASN 33 N 8.66 -0.12 -2.85 3.32 2.35 -1.93 -3.41 115.58 121.60 2dax h ASN 33 Ca -0.11 -0.14 -0.56 0.00 -0.55 0.00 0.00 56.30 54.94 2dax h ASN 33 Cb 1.07 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.43 2dax h ASN 33 CO 0.99 0.07 1.03 -0.62 -1.65 0.00 0.00 177.43 177.25 2dax s ASP 34 N -5.23 6.64 -0.11 5.81 2.15 -0.96 -4.85 116.67 120.12 2dax s ASP 34 Ca -0.14 1.67 0.04 0.00 0.43 0.00 0.00 52.55 54.55 2dax s ASP 34 Cb 0.04 -2.54 -0.10 0.00 -0.30 0.00 0.00 42.92 40.03 2dax s ASP 34 CO 0.65 -1.03 -0.05 0.00 -0.17 0.00 0.00 175.17 174.57 2dax n GLN 35 N 7.21 1.20 0.10 4.34 1.13 -1.26 -4.58 117.38 125.52 2dax n GLN 35 Ca 0.16 0.04 -0.07 0.00 -1.94 0.00 0.00 57.00 55.20 2dax n GLN 35 Cb 0.45 -1.25 -0.04 0.00 0.11 0.00 0.00 30.24 29.51 2dax n GLN 35 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2dax h LEU 36 N 0.00 -0.52 -0.94 1.08 5.85 -1.98 0.25 115.31 119.04 2dax h LEU 36 Ca -0.28 0.04 0.26 0.00 0.84 0.00 0.00 57.88 58.75 2dax h LEU 36 Cb 1.51 0.17 -0.18 0.00 0.37 0.00 0.00 40.66 42.54 2dax h LEU 36 CO -0.02 -0.24 0.04 0.00 -0.34 0.00 0.00 178.44 177.87 2dax n ALA 37 N -2.48 0.50 -0.04 1.25 0.00 -1.26 0.47 120.51 118.95 2dax n ALA 37 Ca -0.04 1.01 -0.12 0.00 0.00 0.00 0.00 53.44 54.29 2dax n ALA 37 Cb 0.17 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 18.80 2dax n ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dax h VAL 38 N 0.00 1.28 -0.24 0.00 2.07 -1.71 -0.68 116.25 116.96 2dax h VAL 38 Ca 0.58 -0.95 0.06 0.00 0.82 0.00 0.00 66.70 67.21 2dax h VAL 38 Cb 1.21 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 32.57 2dax h VAL 38 CO -0.88 0.27 -0.14 0.00 0.02 0.00 0.00 177.57 176.84 2dax h ALA 39 N 0.71 0.05 0.09 1.67 0.00 0.35 -0.84 119.26 121.29 2dax h ALA 39 Ca 0.03 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2dax h ALA 39 Cb 0.44 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2dax h ALA 39 CO 0.01 -0.55 -0.04 0.93 0.00 0.00 0.00 179.25 179.60 2dax h GLU 40 N -0.12 -0.11 -0.48 0.00 4.39 -0.95 -1.18 114.58 116.13 2dax h GLU 40 Ca 0.13 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.92 2dax h GLU 40 Cb 0.32 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 28.90 2dax h GLU 40 CO -0.32 0.13 -0.39 1.25 -1.16 0.00 0.00 179.01 178.52 2dax h LEU 41 N -0.34 -1.30 -0.10 1.33 5.85 -0.81 0.27 115.31 120.20 2dax h LEU 41 Ca -0.01 0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 2dax h LEU 41 Cb 0.29 0.60 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 2dax h LEU 41 CO 0.02 -0.34 0.06 0.11 -0.34 0.00 0.00 178.44 177.95 2dax h LYS 42 N -0.25 0.13 -0.96 1.25 1.57 -1.15 -2.49 116.57 114.67 2dax h LYS 42 Ca 0.18 -0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.11 2dax h LYS 42 Cb 0.56 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.76 2dax h LYS 42 CO -0.61 0.13 0.61 0.22 -0.57 0.00 0.00 179.45 179.22 2dax h ASP 43 N 0.09 0.72 0.72 0.86 1.82 -0.13 -2.23 116.42 118.28 2dax h ASP 43 Ca 0.03 0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.70 2dax h ASP 43 Cb 0.03 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 39.97 2dax h ASP 43 CO -0.01 0.32 -0.39 0.00 -1.61 0.00 0.00 179.24 177.55 2dax h ILE 45 N -1.03 0.19 -0.36 0.00 2.04 -1.21 0.77 117.51 117.91 2dax h ILE 45 Ca -0.10 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.78 2dax h ILE 45 Cb 0.81 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 2dax h ILE 45 CO 0.13 0.00 0.20 -0.33 0.00 0.00 0.00 178.15 178.15 2dax h GLU 46 N -0.24 0.39 0.00 2.37 4.39 -1.39 -1.14 114.58 118.97 2dax h GLU 46 Ca 0.18 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 2dax h GLU 46 Cb 0.55 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2dax h GLU 46 CO -0.59 0.26 -0.04 0.87 -1.16 0.00 0.00 179.01 178.35 2dax h LYS 47 N 0.41 0.00 -5.90 2.33 1.57 0.53 -3.46 116.57 112.05 2dax h LYS 47 Ca 0.15 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.49 2dax h LYS 47 Cb 0.03 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.36 2dax h LYS 47 CO -0.08 0.04 -0.70 1.63 -0.57 0.00 0.00 179.45 179.77 2dax n LYS 48 N -3.24 -6.07 0.00 3.15 5.02 0.26 -4.84 118.16 112.43 2dax n LYS 48 Ca -0.01 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 2dax n LYS 48 Cb 0.23 -5.63 0.00 0.00 -0.02 0.00 0.00 35.03 29.61 2dax n LYS 48 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2dax n THR 49 N -4.72 0.00 -4.05 -0.18 5.66 -1.21 -4.99 114.28 104.80 2dax n THR 49 Ca 0.01 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.72 2dax n THR 49 Cb 0.55 0.28 -0.02 0.00 -1.55 0.00 0.00 70.33 69.58 2dax n THR 49 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 2dax n MET 50 N -1.47 -3.27 -0.30 1.09 1.56 -1.26 -4.82 117.12 108.66 2dax n MET 50 Ca 0.00 0.39 0.05 0.00 -0.27 0.00 0.00 57.70 57.87 2dax n MET 50 Cb 0.06 -4.71 0.14 0.00 2.15 0.00 0.00 33.22 30.86 2dax n MET 50 CO 0.00 0.00 0.00 1.05 -0.73 0.00 0.00 175.97 176.29 2dax h GLU 51 N -1.75 0.02 0.00 2.12 -0.00 -1.96 -3.46 114.58 109.56 2dax h GLU 51 Ca -0.62 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.74 2dax h GLU 51 Cb 1.38 -0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.12 2dax h GLU 51 CO 0.68 0.01 0.00 0.41 -0.00 0.00 0.00 179.01 180.11 2dax n GLY 52 N -1.52 4.49 3.44 1.06 0.00 -1.26 -5.12 105.19 106.28 2dax n GLY 52 Ca 0.14 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 2dax n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dax n ARG 53 N -0.66 0.05 -0.06 1.61 5.12 -1.26 -4.96 116.66 116.50 2dax n ARG 53 Ca 0.00 0.06 -0.08 0.00 -1.93 0.00 0.00 57.85 55.91 2dax n ARG 53 Cb 0.00 -1.85 -0.06 0.00 -1.16 0.00 0.00 32.46 29.39 2dax n ARG 53 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2dax n SER 54 N -0.76 3.07 -4.04 0.55 2.88 -1.26 -5.08 113.62 108.97 2dax n SER 54 Ca 0.09 -0.06 -0.10 0.00 -1.33 0.00 0.00 58.87 57.47 2dax n SER 54 Cb 0.52 -0.09 -0.07 0.00 -0.75 0.00 0.00 64.21 63.82 2dax n SER 54 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dax s SER 55 N -5.02 0.01 0.05 -3.46 0.15 -1.26 -5.04 113.70 99.13 2dax s SER 55 Ca -0.14 -1.03 -0.28 0.00 0.70 0.00 0.00 55.95 55.20 2dax s SER 55 Cb 0.04 0.49 -0.05 0.00 -1.71 0.00 0.00 66.02 64.79 2dax s SER 55 CO 0.28 -0.99 0.89 -0.54 1.20 0.00 0.00 173.24 174.08 2dax s LYS 56 N -4.04 4.59 -0.27 5.44 1.02 -1.26 -4.70 119.74 120.51 2dax s LYS 56 Ca 0.25 1.29 -0.28 0.00 0.02 0.00 0.00 55.97 57.25 2dax s LYS 56 Cb 0.02 -3.40 -0.05 0.00 -0.52 0.00 0.00 37.83 33.89 2dax s LYS 56 CO 0.07 0.15 2.17 0.08 -0.92 0.00 0.00 175.35 176.91 2dax s VAL 57 N 0.30 3.09 -0.19 3.17 1.01 -1.24 -4.88 120.40 121.66 2dax s VAL 57 Ca 0.45 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.47 2dax s VAL 57 Cb -0.21 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 2dax s VAL 57 CO 0.27 -0.08 -0.02 -0.47 0.00 0.00 0.00 175.10 174.79 2dax s TYR 58 N 8.56 3.01 -0.22 5.22 5.04 -1.26 -2.75 117.35 134.95 2dax s TYR 58 Ca 0.97 -0.51 -0.07 0.00 -2.44 0.00 0.00 57.07 55.02 2dax s TYR 58 Cb -0.29 -2.06 0.10 0.00 0.35 0.00 0.00 41.96 40.07 2dax s TYR 58 CO 0.34 -0.25 0.45 -0.59 -1.34 0.00 0.00 175.55 174.16 2dax s PHE 59 N 0.94 -0.90 0.08 4.97 -0.71 -1.15 -2.26 117.98 118.95 2dax s PHE 59 Ca 0.01 1.57 -0.17 0.00 -1.04 0.00 0.00 56.93 57.29 2dax s PHE 59 Cb -0.14 0.35 -0.07 0.00 -1.21 0.00 0.00 43.02 41.95 2dax s PHE 59 CO 0.01 -0.55 0.53 0.99 -1.34 0.00 0.00 175.22 174.87 2dax s THR 60 N 2.65 4.82 -0.15 -4.49 2.01 -0.56 -3.18 115.64 116.73 2dax s THR 60 Ca 0.00 1.04 0.01 0.00 0.31 0.00 0.00 61.69 63.05 2dax s THR 60 Cb -0.12 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.57 2dax s THR 60 CO -0.14 0.47 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.46 2dax s ILE 61 N -1.20 2.51 -0.35 1.82 1.01 -1.17 -1.16 121.20 122.65 2dax s ILE 61 Ca 0.30 -0.82 -0.14 0.00 0.00 0.00 0.00 60.65 59.99 2dax s ILE 61 Cb -0.18 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 2dax s ILE 61 CO 0.18 0.52 0.30 0.20 0.00 0.00 0.00 174.94 176.14 2dax s ASN 62 N 0.84 6.12 -0.13 3.58 0.01 0.21 -2.35 114.94 123.22 2dax s ASN 62 Ca -0.05 -0.43 0.01 0.00 -0.71 0.00 0.00 52.86 51.67 2dax s ASN 62 Cb -0.15 -2.17 -0.01 0.00 0.41 0.00 0.00 41.25 39.33 2dax s ASN 62 CO -0.01 -0.32 -0.16 -0.04 -1.51 0.00 0.00 177.10 175.06 2dax s MET 63 N 1.84 3.29 -0.25 -0.60 -1.94 -1.16 -4.46 119.30 116.03 2dax s MET 63 Ca 0.08 -0.74 -0.13 0.00 -1.71 0.00 0.00 55.69 53.19 2dax s MET 63 Cb -0.17 -2.55 -0.04 0.00 2.01 0.00 0.00 34.83 34.07 2dax s MET 63 CO 0.11 0.18 0.30 -0.80 -0.01 0.00 0.00 175.02 174.80 2dax s ASN 64 N 0.41 6.23 0.07 3.03 -0.87 -1.26 -1.39 114.94 121.17 2dax s ASN 64 Ca -0.12 0.26 -0.07 0.00 -1.57 0.00 0.00 52.86 51.35 2dax s ASN 64 Cb -0.16 -2.18 -0.01 0.00 -0.02 0.00 0.00 41.25 38.88 2dax s ASN 64 CO 0.06 -0.07 0.14 -0.76 -2.57 0.00 0.00 177.10 173.90 2dax s LEU 65 N 1.58 1.64 -0.11 0.60 1.43 -1.13 -4.97 118.68 117.72 2dax s LEU 65 Ca 0.13 -0.69 -0.22 0.00 -1.03 0.00 0.00 54.13 52.32 2dax s LEU 65 Cb -0.15 0.85 -0.04 0.00 0.03 0.00 0.00 46.19 46.88 2dax s LEU 65 CO 0.08 -0.68 0.63 -0.62 0.23 0.00 0.00 176.35 176.00 2dax s ASP 66 N -2.77 6.85 -0.23 2.29 -1.08 -1.26 -1.80 116.67 118.68 2dax s ASP 66 Ca 0.04 1.03 -0.10 0.00 -0.52 0.00 0.00 52.55 53.00 2dax s ASP 66 Cb 0.05 -2.37 -0.10 0.00 -1.46 0.00 0.00 42.92 39.03 2dax s ASP 66 CO -0.10 -0.12 -0.28 1.33 0.52 0.00 0.00 175.17 176.52 2dax n VAL 67 N 3.95 1.24 -3.84 1.11 0.24 -1.03 -4.88 118.33 115.12 2dax n VAL 67 Ca -0.03 -0.34 0.01 0.00 -2.04 0.00 0.00 64.34 61.95 2dax n VAL 67 Cb 0.51 -1.73 0.01 0.00 -1.47 0.00 0.00 33.84 31.16 2dax n VAL 67 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2dax s SER 68 N -6.90 -0.02 -1.47 -1.34 0.15 -1.24 -5.01 113.70 97.87 2dax s SER 68 Ca -0.31 -0.26 -0.03 0.00 0.70 0.00 0.00 55.95 56.05 2dax s SER 68 Cb 0.12 0.22 0.03 0.00 -1.71 0.00 0.00 66.02 64.67 2dax s SER 68 CO 0.41 -0.42 0.45 0.47 1.20 0.00 0.00 173.24 175.35 2dax n ASP 69 N -0.88 -0.73 -1.95 5.45 9.92 -1.26 0.09 116.55 127.18 2dax n ASP 69 Ca -0.02 -1.03 -0.00 0.00 -0.53 0.00 0.00 54.79 53.21 2dax n ASP 69 Cb 0.60 -2.90 -0.00 0.00 -0.64 0.00 0.00 41.12 38.19 2dax n ASP 69 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2dax n GLU 70 N -4.42 -2.26 -4.13 -1.24 2.13 -1.26 -4.86 120.64 104.60 2dax n GLU 70 Ca -0.25 0.01 -0.23 0.00 0.66 0.00 0.00 57.16 57.35 2dax n GLU 70 Cb 0.65 -4.34 -0.07 0.00 0.27 0.00 0.00 31.44 27.96 2dax n GLU 70 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2dax s LYS 71 N -3.91 2.31 0.21 5.31 1.02 0.11 -5.07 119.74 119.73 2dax s LYS 71 Ca 0.00 -1.61 0.01 0.00 0.02 0.00 0.00 55.97 54.39 2dax s LYS 71 Cb 0.00 -2.12 -0.00 0.00 -0.52 0.00 0.00 37.83 35.19 2dax s LYS 71 CO 0.00 0.09 0.03 -1.33 -0.92 0.00 0.00 175.35 173.22 2dax n MET 72 N -1.13 1.18 -3.77 1.68 2.81 -1.26 -2.47 117.12 114.15 2dax n MET 72 Ca -0.03 -1.61 -0.04 0.00 -1.81 0.00 0.00 57.70 54.21 2dax n MET 72 Cb 0.62 0.61 -0.01 0.00 -0.71 0.00 0.00 33.22 33.72 2dax n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dax s ALA 73 N -2.43 -1.60 -0.22 3.04 0.00 -0.75 -4.83 121.76 114.97 2dax s ALA 73 Ca 0.04 0.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.98 2dax s ALA 73 Cb 0.00 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 2dax s ALA 73 CO 0.03 -1.05 0.05 -1.64 0.00 0.00 0.00 175.76 173.15 2dax s MET 74 N -3.33 3.72 -0.46 0.00 -1.94 -1.26 -2.82 119.30 113.20 2dax s MET 74 Ca 0.12 -0.46 -0.14 0.00 -1.71 0.00 0.00 55.69 53.50 2dax s MET 74 Cb -0.02 -3.22 0.07 0.00 2.01 0.00 0.00 34.83 33.67 2dax s MET 74 CO 0.03 -0.02 0.38 -0.06 -0.01 0.00 0.00 175.02 175.34 2dax s PHE 75 N 1.14 3.26 -0.23 -0.03 0.40 -0.48 -4.75 117.98 117.28 2dax s PHE 75 Ca 0.04 -1.03 -0.27 0.00 -0.60 0.00 0.00 56.93 55.07 2dax s PHE 75 Cb -0.14 -3.15 0.00 0.00 0.51 0.00 0.00 43.02 40.24 2dax s PHE 75 CO 0.03 -0.81 0.94 -1.12 0.70 0.00 0.00 175.22 174.96 2dax s SER 76 N 2.54 6.98 -0.55 1.36 0.01 -0.99 -2.96 113.70 120.09 2dax s SER 76 Ca 0.04 1.23 -0.02 0.00 1.31 0.00 0.00 55.95 58.51 2dax s SER 76 Cb -0.24 -2.49 0.14 0.00 0.21 0.00 0.00 66.02 63.64 2dax s SER 76 CO 0.06 -0.60 0.34 -0.76 0.41 0.00 0.00 173.24 172.69 2dax s LEU 77 N 3.02 5.12 -0.80 2.44 1.02 -0.99 -1.23 118.68 127.26 2dax s LEU 77 Ca 0.40 -2.63 -0.25 0.00 0.02 0.00 0.00 54.13 51.67 2dax s LEU 77 Cb -0.15 -1.81 -0.00 0.00 0.02 0.00 0.00 46.19 44.24 2dax s LEU 77 CO 0.07 -0.40 1.66 0.00 0.02 0.00 0.00 176.35 177.70 2dax s ALA 78 N 0.26 2.29 -0.16 4.21 0.00 -0.98 -3.04 121.76 124.35 2dax s ALA 78 Ca 0.14 -1.37 -0.16 0.00 0.00 0.00 0.00 51.96 50.57 2dax s ALA 78 Cb -0.21 -4.40 -0.04 0.00 0.00 0.00 0.00 23.12 18.46 2dax s ALA 78 CO -0.03 -3.93 0.40 0.00 0.00 0.00 0.00 175.76 172.19 2dax s ILE 80 N 0.82 1.22 -0.24 0.00 1.01 -1.21 -2.94 121.20 119.85 2dax s ILE 80 Ca 0.21 -1.07 -0.27 0.00 0.00 0.00 0.00 60.65 59.52 2dax s ILE 80 Cb -0.14 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.74 2dax s ILE 80 CO 0.07 -0.18 0.93 -0.76 0.00 0.00 0.00 174.94 175.01 2dax s LEU 81 N 1.53 4.08 0.00 2.97 1.43 -1.11 -1.54 118.68 126.04 2dax s LEU 81 Ca -0.03 1.18 -0.07 0.00 -1.03 0.00 0.00 54.13 54.18 2dax s LEU 81 Cb -0.18 -3.36 0.10 0.00 0.03 0.00 0.00 46.19 42.78 2dax s LEU 81 CO -0.08 -0.60 0.37 -0.81 0.23 0.00 0.00 176.35 175.46 2dax n PRO 82 N 6.19 -1.75 -0.07 1.29 -0.04 -1.26 -3.63 135.00 135.72 2dax n PRO 82 Ca 0.09 -0.60 0.11 0.00 -0.04 0.00 0.00 63.50 63.06 2dax n PRO 82 Cb 0.47 -0.56 0.39 0.00 -0.04 0.00 0.00 33.50 33.76 2dax n PRO 82 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2dax n PHE 83 N -3.32 0.19 -0.13 0.54 3.01 -1.26 -4.06 117.46 112.43 2dax n PHE 83 Ca 0.05 -0.09 -0.26 0.00 1.01 0.00 0.00 57.45 58.16 2dax n PHE 83 Cb 0.20 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.57 2dax n PHE 83 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2dax n LYS 84 N 0.31 0.59 -0.51 -1.08 4.76 -1.26 -5.01 118.16 115.95 2dax n LYS 84 Ca 0.16 0.22 -0.17 0.00 -2.87 0.00 0.00 58.31 55.65 2dax n LYS 84 Cb 0.33 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 32.03 2dax n LYS 84 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 2dax n TYR 85 N -3.95 -0.29 0.63 2.13 9.36 -1.24 -1.32 117.16 122.47 2dax n TYR 85 Ca -0.51 0.34 0.07 0.00 3.32 0.00 0.00 57.90 61.11 2dax n TYR 85 Cb 0.91 -0.72 0.35 0.00 -0.63 0.00 0.00 39.34 39.25 2dax n TYR 85 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2dax n PRO 86 N 0.40 0.14 0.00 2.98 -0.04 -1.26 -4.84 135.00 132.38 2dax n PRO 86 Ca 0.06 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2dax n PRO 86 Cb 0.10 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 2dax n PRO 86 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dax n ALA 87 N -1.36 0.00 -2.78 0.55 0.00 -0.44 -4.21 120.51 112.27 2dax n ALA 87 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.15 2dax n ALA 87 Cb 0.13 0.27 -0.09 0.00 0.00 0.00 0.00 19.45 19.76 2dax n ALA 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2dax s VAL 88 N -1.76 5.08 0.89 0.00 -7.23 -1.26 -4.55 120.40 111.58 2dax s VAL 88 Ca 0.00 0.07 -0.16 0.00 -1.81 0.00 0.00 61.98 60.08 2dax s VAL 88 Cb 0.00 -3.30 -0.08 0.00 0.56 0.00 0.00 36.38 33.56 2dax s VAL 88 CO 0.00 0.46 -0.20 0.18 -0.31 0.00 0.00 175.10 175.23 2dax n LEU 89 N 3.43 -3.17 0.00 1.32 7.99 -1.26 -3.66 117.00 121.65 2dax n LEU 89 Ca -0.16 0.33 0.00 0.00 -0.01 0.00 0.00 56.01 56.17 2dax n LEU 89 Cb 0.52 -0.96 0.00 0.00 -0.11 0.00 0.00 43.42 42.87 2dax n LEU 89 CO 0.36 -4.82 0.00 -0.81 -1.51 0.00 0.00 177.39 170.61 2dax n PRO 90 N 0.74 -0.02 -3.23 3.23 -0.04 -1.26 -4.77 135.00 129.64 2dax n PRO 90 Ca 0.03 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.25 2dax n PRO 90 Cb 0.53 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.93 2dax n PRO 90 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dax n GLU 91 N -0.76 1.43 -2.46 0.54 1.02 -0.59 -4.95 120.64 114.86 2dax n GLU 91 Ca 0.00 -3.76 -0.43 0.00 -0.02 0.00 0.00 57.16 52.96 2dax n GLU 91 Cb 0.00 -1.64 -0.02 0.00 -0.02 0.00 0.00 31.44 29.76 2dax n GLU 91 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2dax s ILE 92 N -1.94 4.31 -0.42 -3.67 1.01 -1.25 -3.33 121.20 115.90 2dax s ILE 92 Ca 0.38 1.60 -0.04 0.00 0.00 0.00 0.00 60.65 62.60 2dax s ILE 92 Cb 0.20 -4.03 0.11 0.00 0.01 0.00 0.00 42.46 38.74 2dax s ILE 92 CO -0.08 -0.08 0.22 -0.89 0.00 0.00 0.00 174.94 174.11 2dax s THR 93 N 2.95 3.41 0.07 2.92 2.01 0.35 -4.89 115.64 122.46 2dax s THR 93 Ca 0.54 -2.02 -0.31 0.00 0.31 0.00 0.00 61.69 60.22 2dax s THR 93 Cb -0.22 -3.32 -0.06 0.00 0.01 0.00 0.00 72.50 68.90 2dax s THR 93 CO 0.17 -0.70 1.23 -0.69 -0.69 0.00 0.00 174.62 173.94 2dax s VAL 94 N 1.17 3.92 0.00 3.82 1.01 -1.26 -2.33 120.40 126.73 2dax s VAL 94 Ca 0.08 1.38 0.01 0.00 0.00 0.00 0.00 61.98 63.44 2dax s VAL 94 Cb -0.23 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 2dax s VAL 94 CO -0.04 0.11 -0.03 -0.13 0.00 0.00 0.00 175.10 175.01 2dax s ARG 95 N 1.06 0.23 -0.17 2.72 0.52 -0.36 -4.84 118.95 118.10 2dax s ARG 95 Ca 0.60 -0.17 -0.15 0.00 -0.52 0.00 0.00 55.73 55.48 2dax s ARG 95 Cb -0.31 -0.18 0.05 0.00 0.52 0.00 0.00 34.95 35.03 2dax s ARG 95 CO 0.29 0.04 0.45 0.45 0.02 0.00 0.00 175.30 176.56 2dax s SER 96 N -0.27 -0.48 0.28 0.23 0.15 -1.26 -2.35 113.70 110.00 2dax s SER 96 Ca -0.01 0.92 -0.02 0.00 0.70 0.00 0.00 55.95 57.54 2dax s SER 96 Cb -0.02 0.92 0.39 0.00 -1.71 0.00 0.00 66.02 65.60 2dax s SER 96 CO -0.00 -0.16 1.88 0.58 1.20 0.00 0.00 173.24 176.74 2dax h VAL 97 N 4.53 1.22 0.17 4.45 2.07 -2.02 -3.05 116.25 123.62 2dax h VAL 97 Ca -0.28 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 2dax h VAL 97 Cb 1.18 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2dax h VAL 97 CO 0.22 0.26 -0.08 -0.07 0.02 0.00 0.00 177.57 177.93 2dax h LEU 98 N 0.99 -0.19 -9.78 2.57 3.38 -1.96 -3.45 115.31 106.87 2dax h LEU 98 Ca 0.24 -0.26 -0.45 0.00 0.09 0.00 0.00 57.88 57.49 2dax h LEU 98 Cb 0.09 0.05 0.23 0.00 0.09 0.00 0.00 40.66 41.13 2dax h LEU 98 CO -0.03 0.18 -0.83 0.18 0.09 0.00 0.00 178.44 178.03 2dax n LEU 99 N -5.03 -2.06 -4.53 1.67 4.77 -1.15 -4.94 117.00 105.74 2dax n LEU 99 Ca -0.09 -0.12 -0.33 0.00 -0.03 0.00 0.00 56.01 55.44 2dax n LEU 99 Cb 0.23 -1.03 -0.12 0.00 -2.33 0.00 0.00 43.42 40.17 2dax n LEU 99 CO 0.31 -3.15 -0.41 -0.55 -1.33 0.00 0.00 177.39 172.26 2dax s SER 100 N -1.97 4.39 0.33 -1.43 0.15 -1.26 -4.88 113.70 109.03 2dax s SER 100 Ca 0.59 -0.11 0.17 0.00 0.70 0.00 0.00 55.95 57.30 2dax s SER 100 Cb -0.15 -1.12 1.17 0.00 -1.71 0.00 0.00 66.02 64.21 2dax s SER 100 CO 0.66 0.33 1.43 -1.14 1.20 0.00 0.00 173.24 175.72 2dax n ARG 101 N 2.41 -0.06 0.05 5.44 0.63 -1.26 -0.07 116.66 123.80 2dax n ARG 101 Ca -0.18 1.26 -0.10 0.00 -0.92 0.00 0.00 57.85 57.91 2dax n ARG 101 Cb 0.53 -2.24 -0.07 0.00 0.45 0.00 0.00 32.46 31.13 2dax n ARG 101 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 2dax h SER 102 N 0.00 -0.17 0.26 6.15 0.02 -2.01 -3.21 113.55 114.58 2dax h SER 102 Ca 0.75 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 61.35 2dax h SER 102 Cb 1.95 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 64.53 2dax h SER 102 CO -0.71 0.40 -0.27 1.56 -1.14 0.00 0.00 176.83 176.67 2dax h GLN 103 N -0.90 -0.51 -0.75 3.45 1.08 -0.88 -2.69 115.11 113.91 2dax h GLN 103 Ca -0.02 0.03 0.15 0.00 -1.45 0.00 0.00 58.65 57.36 2dax h GLN 103 Cb 0.51 0.12 -0.14 0.00 -0.05 0.00 0.00 27.48 27.91 2dax h GLN 103 CO 0.03 -0.34 -0.18 0.94 -0.95 0.00 0.00 178.83 178.33 2dax n GLN 104 N -4.00 -0.07 -0.10 1.46 -0.06 0.88 -0.28 117.38 115.21 2dax n GLN 104 Ca -0.06 1.16 -0.09 0.00 -2.00 0.00 0.00 57.00 56.01 2dax n GLN 104 Cb 0.24 -1.74 -0.07 0.00 -4.06 0.00 0.00 30.24 24.62 2dax n GLN 104 CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 2dax h THR 105 N 0.00 0.00 -0.89 1.69 2.02 -1.48 -0.28 112.91 113.97 2dax h THR 105 Ca 0.36 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.76 2dax h THR 105 Cb 0.55 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.80 2dax h THR 105 CO -0.77 0.00 -0.01 -0.61 0.37 0.00 0.00 175.52 174.51 2dax h GLN 106 N -0.25 0.05 -0.98 6.66 5.75 -0.61 0.78 115.11 126.51 2dax h GLN 106 Ca 0.05 -0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.62 2dax h GLN 106 Cb 0.39 -0.01 -0.07 0.00 1.07 0.00 0.00 27.48 28.86 2dax h GLN 106 CO -0.41 0.03 0.63 1.25 -2.65 0.00 0.00 178.83 177.69 2dax h LEU 107 N 0.05 1.00 0.39 -2.39 6.46 -0.89 -2.25 115.31 117.69 2dax h LEU 107 Ca 0.51 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 58.26 2dax h LEU 107 Cb 0.96 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.70 2dax h LEU 107 CO -0.82 0.63 -0.19 0.78 -0.62 0.00 0.00 178.44 178.22 2dax h ASN 108 N 1.13 -0.45 -1.11 1.25 2.35 0.16 0.30 115.58 119.21 2dax h ASN 108 Ca 0.43 0.02 0.40 0.00 -0.55 0.00 0.00 56.30 56.59 2dax h ASN 108 Cb 0.20 0.12 -0.15 0.00 0.05 0.00 0.00 38.32 38.53 2dax h ASN 108 CO -0.17 -0.27 0.66 0.74 -1.65 0.00 0.00 177.43 176.74 2dax h THR 109 N -0.63 0.11 0.01 2.81 2.02 -1.25 0.34 112.91 116.33 2dax h THR 109 Ca -0.05 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 2dax h THR 109 Cb 0.40 -0.01 0.01 0.00 -1.74 0.00 0.00 68.15 66.82 2dax h THR 109 CO 0.09 0.02 -0.30 0.44 0.37 0.00 0.00 175.52 176.14 2dax h ASP 110 N 0.11 0.24 -0.17 4.18 3.32 -1.32 -2.99 116.42 119.79 2dax h ASP 110 Ca 0.81 -0.82 0.03 0.00 0.02 0.00 0.00 57.03 57.08 2dax h ASP 110 Cb 2.23 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 41.64 2dax h ASP 110 CO -0.61 1.03 -0.53 0.25 -1.72 0.00 0.00 179.24 177.66 2dax h LEU 111 N -0.52 -1.70 0.40 1.55 5.85 0.36 -1.88 115.31 119.37 2dax h LEU 111 Ca -0.04 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2dax h LEU 111 Cb 1.09 0.67 -0.02 0.00 0.37 0.00 0.00 40.66 42.77 2dax h LEU 111 CO 0.06 -0.47 -0.45 0.74 -0.34 0.00 0.00 178.44 177.98 2dax h THR 112 N -0.55 0.00 -0.76 1.05 2.02 -1.38 -2.92 112.91 110.37 2dax h THR 112 Ca 0.04 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.31 2dax h THR 112 Cb 0.67 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.98 2dax h THR 112 CO -0.46 0.00 -0.39 0.00 0.37 0.00 0.00 175.52 175.04 2dax n ALA 113 N -2.76 -0.34 -0.33 6.16 0.00 -1.08 0.80 120.51 122.96 2dax n ALA 113 Ca -0.10 0.69 0.07 0.00 0.00 0.00 0.00 53.44 54.09 2dax n ALA 113 Cb 0.40 -0.19 0.15 0.00 0.00 0.00 0.00 19.45 19.81 2dax n ALA 113 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2dax n PHE 114 N -5.01 0.37 0.16 0.00 -0.00 -0.73 -0.44 117.46 111.81 2dax n PHE 114 Ca 0.04 1.11 -0.13 0.00 -0.00 0.00 0.00 57.45 58.46 2dax n PHE 114 Cb 0.24 -1.05 -0.08 0.00 -0.00 0.00 0.00 39.48 38.59 2dax n PHE 114 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 2dax h LEU 115 N 0.00 -0.35 -1.67 -2.13 3.38 0.36 0.31 115.31 115.20 2dax h LEU 115 Ca 0.45 -0.17 0.37 0.00 0.09 0.00 0.00 57.88 58.63 2dax h LEU 115 Cb 0.74 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.49 2dax h LEU 115 CO -0.93 0.01 0.87 1.56 0.09 0.00 0.00 178.44 180.05 2dax h GLN 116 N -0.76 0.13 0.00 1.13 4.20 0.09 0.39 115.11 120.29 2dax h GLN 116 Ca -0.04 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2dax h GLN 116 Cb 0.50 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2dax h GLN 116 CO 0.07 0.08 -0.23 0.87 -0.67 0.00 0.00 178.83 178.95 2dax h LYS 117 N 0.13 0.00 0.10 1.46 6.56 -0.76 -3.39 116.57 120.67 2dax h LYS 117 Ca 0.68 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.27 2dax h LYS 117 Cb 2.32 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 33.97 2dax h LYS 117 CO -0.19 0.00 -0.20 0.45 -2.06 0.00 0.00 179.45 177.45 2dax h HIS 118 N -0.59 -0.57 -3.62 -1.35 3.86 -0.01 -3.38 115.15 109.48 2dax h HIS 118 Ca 0.00 0.01 -0.69 0.00 -1.16 0.00 0.00 60.37 58.53 2dax h HIS 118 Cb 0.23 0.24 -0.26 0.00 1.06 0.00 0.00 27.41 28.68 2dax h HIS 118 CO -0.10 -0.24 -0.57 0.00 0.86 0.00 0.00 177.93 177.88 2dax s HIS 120 N 1.51 1.66 0.00 0.00 5.04 -1.26 -3.88 115.29 118.36 2dax s HIS 120 Ca 0.01 -2.36 0.00 0.00 -1.54 0.00 0.00 55.06 51.17 2dax s HIS 120 Cb -0.19 -1.49 0.00 0.00 0.04 0.00 0.00 32.58 30.95 2dax s HIS 120 CO 0.05 -0.77 0.00 0.41 -2.34 0.00 0.00 174.74 172.08 2dax n GLY 121 N 3.19 1.09 2.58 1.59 0.00 -1.26 -5.10 105.19 107.28 2dax n GLY 121 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 2dax n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dax n ASP 122 N 0.00 2.40 -4.43 1.61 8.00 -1.26 -4.57 116.55 118.30 2dax n ASP 122 Ca 0.00 -2.36 -0.41 0.00 0.71 0.00 0.00 54.79 52.73 2dax n ASP 122 Cb 0.00 0.04 -0.11 0.00 -0.02 0.00 0.00 41.12 41.04 2dax n ASP 122 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2dax s VAL 123 N -1.97 4.92 -0.41 2.53 -7.23 -1.26 -4.82 120.40 112.16 2dax s VAL 123 Ca 0.16 -0.68 0.02 0.00 -1.81 0.00 0.00 61.98 59.66 2dax s VAL 123 Cb -0.01 -3.70 0.14 0.00 0.56 0.00 0.00 36.38 33.37 2dax s VAL 123 CO 0.10 -0.22 0.25 0.00 -0.31 0.00 0.00 175.10 174.92 2dax h ILE 125 N 5.06 0.82 0.16 0.00 1.08 -1.98 -3.39 117.51 119.25 2dax h ILE 125 Ca 0.06 -2.28 0.01 0.00 -0.39 0.00 0.00 64.86 62.26 2dax h ILE 125 Cb 0.94 2.41 -0.05 0.00 -3.07 0.00 0.00 36.82 37.06 2dax h ILE 125 CO 0.38 0.61 -0.52 -0.07 -0.69 0.00 0.00 178.15 177.86 2dax h LEU 126 N -0.46 -1.55 -1.01 1.44 3.38 -1.99 -0.96 115.31 114.16 2dax h LEU 126 Ca -0.37 0.16 0.37 0.00 0.09 0.00 0.00 57.88 58.13 2dax h LEU 126 Cb 1.67 0.57 -0.12 0.00 0.09 0.00 0.00 40.66 42.86 2dax h LEU 126 CO -0.05 -0.57 0.62 0.59 0.09 0.00 0.00 178.44 179.13 2dax n ASN 127 N -5.50 0.20 0.01 -0.43 5.03 -1.26 0.16 115.26 113.48 2dax n ASN 127 Ca -0.09 1.18 -0.13 0.00 0.87 0.00 0.00 54.58 56.41 2dax n ASN 127 Cb 0.42 -0.58 -0.09 0.00 -1.02 0.00 0.00 39.78 38.51 2dax n ASN 127 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2dax h ALA 128 N 1.38 -0.03 -0.29 5.41 0.00 -1.37 -1.63 119.26 122.72 2dax h ALA 128 Ca 0.70 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 2dax h ALA 128 Cb 2.12 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.91 2dax h ALA 128 CO -0.45 -0.33 0.15 1.79 0.00 0.00 0.00 179.25 180.41 2dax h THR 129 N -0.41 1.10 0.00 0.00 1.35 0.18 -0.43 112.91 114.70 2dax h THR 129 Ca -0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 2dax h THR 129 Cb 0.39 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 2dax h THR 129 CO 0.01 0.11 0.00 -0.33 -0.25 0.00 0.00 175.52 175.06 2dax h GLU 130 N 0.41 0.00 0.00 4.72 4.39 -1.00 -2.72 114.58 120.38 2dax h GLU 130 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2dax h GLU 130 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2dax h GLU 130 CO -0.02 0.00 -0.87 2.35 -1.16 0.00 0.00 179.01 179.31 2dax h TRP 131 N 0.00 0.00 0.00 4.33 7.01 -0.10 -3.38 115.95 123.82 2dax h TRP 131 Ca 0.00 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.92 2dax h TRP 131 Cb 0.80 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.85 2dax h TRP 131 CO 0.00 0.00 -0.74 0.28 -2.79 0.00 0.00 178.44 175.19 2dax h VAL 132 N 0.00 0.31 -0.96 2.65 2.07 -1.26 -2.92 116.25 116.14 2dax h VAL 132 Ca 0.00 -1.40 0.28 0.00 0.82 0.00 0.00 66.70 66.40 2dax h VAL 132 Cb 0.90 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 2dax h VAL 132 CO 0.00 0.11 1.18 0.08 0.02 0.00 0.00 177.57 178.95 2dax h ARG 133 N -1.00 0.00 0.00 1.57 0.11 -1.68 0.66 114.38 114.03 2dax h ARG 133 Ca -0.12 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.90 2dax h ARG 133 Cb 0.76 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.83 2dax h ARG 133 CO -0.07 0.00 -0.95 -1.91 0.10 0.00 0.00 179.97 177.14 2dax n GLU 134 N -3.23 0.50 0.09 0.08 0.00 -1.26 -4.38 120.64 112.45 2dax n GLU 134 Ca 0.22 0.39 -0.12 0.00 0.00 0.00 0.00 57.16 57.65 2dax n GLU 134 Cb 1.47 -1.59 -0.06 0.00 0.00 0.00 0.00 31.44 31.27 2dax n GLU 134 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2dax h HIS 135 N -1.00 -0.43 -0.27 4.31 3.86 -0.80 -3.13 115.15 117.69 2dax h HIS 135 Ca -0.10 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.14 2dax h HIS 135 Cb 0.87 0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.48 2dax h HIS 135 CO -0.25 -0.25 -0.16 0.00 0.86 0.00 0.00 177.93 178.13 2dax n ALA 136 N -2.44 -0.17 -0.27 2.45 0.00 0.21 0.11 120.51 120.39 2dax n ALA 136 Ca -0.06 0.23 0.14 0.00 0.00 0.00 0.00 53.44 53.74 2dax n ALA 136 Cb 0.21 0.17 0.26 0.00 0.00 0.00 0.00 19.45 20.10 2dax n ALA 136 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2dax n SER 137 N -3.55 -0.05 0.38 0.00 3.41 -1.18 0.08 113.62 112.71 2dax n SER 137 Ca 0.01 1.36 -0.18 0.00 -0.26 0.00 0.00 58.87 59.79 2dax n SER 137 Cb 0.07 -0.51 -0.09 0.00 -0.26 0.00 0.00 64.21 63.42 2dax n SER 137 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2dax h GLY 138 N 0.00 -1.05 0.58 5.00 0.00 0.75 -3.16 103.07 105.19 2dax h GLY 138 Ca 0.51 0.41 0.03 0.00 0.00 0.00 0.00 47.33 48.27 2dax h GLY 138 CO -0.74 -0.38 -0.15 -0.97 0.00 0.00 0.00 176.54 174.30 2dax h TYR 139 N -0.99 -0.39 -0.83 5.60 0.05 -0.02 -3.40 116.97 116.99 2dax h TYR 139 Ca -0.09 0.02 -0.68 0.00 0.05 0.00 0.00 58.73 58.03 2dax h TYR 139 Cb 0.77 0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.67 2dax h TYR 139 CO -0.05 -0.22 1.42 0.28 -1.05 0.00 0.00 178.16 178.53 2dax n VAL 140 N -5.29 0.13 -4.26 -2.88 0.31 -0.00 -4.92 118.33 101.41 2dax n VAL 140 Ca -0.04 -0.21 -0.25 0.00 -0.01 0.00 0.00 64.34 63.83 2dax n VAL 140 Cb 0.21 -1.39 -0.08 0.00 -0.91 0.00 0.00 33.84 31.67 2dax n VAL 140 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2dax s SER 141 N 7.26 4.59 -0.25 4.52 0.01 -1.26 -4.92 113.70 123.64 2dax s SER 141 Ca 1.12 -0.54 -0.04 0.00 1.31 0.00 0.00 55.95 57.80 2dax s SER 141 Cb -0.99 -0.89 -0.14 0.00 0.21 0.00 0.00 66.02 64.21 2dax s SER 141 CO 0.52 0.05 -0.27 -2.11 0.41 0.00 0.00 173.24 171.84 2dax n ARG 142 N -0.48 0.59 -4.43 12.44 1.85 -1.26 -4.97 116.66 120.40 2dax n ARG 142 Ca -0.08 0.18 -0.37 0.00 -1.00 0.00 0.00 57.85 56.58 2dax n ARG 142 Cb 0.57 -1.46 -0.09 0.00 -1.05 0.00 0.00 32.46 30.43 2dax n ARG 142 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2dax n ASP 143 N -3.61 -0.48 -4.32 2.89 2.03 -1.26 -4.85 116.55 106.95 2dax n ASP 143 Ca -0.47 -1.26 -0.46 0.00 0.52 0.00 0.00 54.79 53.12 2dax n ASP 143 Cb 0.92 -1.59 -0.04 0.00 -0.72 0.00 0.00 41.12 39.69 2dax n ASP 143 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2dax s THR 144 N -3.79 5.38 -0.07 5.18 -4.23 -1.26 -5.04 115.64 111.81 2dax s THR 144 Ca 0.43 -1.91 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 2dax s THR 144 Cb -0.25 -4.40 -0.03 0.00 1.34 0.00 0.00 72.50 69.17 2dax s THR 144 CO 1.01 -0.94 -0.11 -0.94 -0.54 0.00 0.00 174.62 173.10 2dax s SER 145 N 2.99 4.28 0.59 3.99 1.04 -1.26 -5.10 113.70 120.23 2dax s SER 145 Ca 0.09 -0.14 -0.20 0.00 0.48 0.00 0.00 55.95 56.18 2dax s SER 145 Cb -0.22 -1.06 -0.03 0.00 0.10 0.00 0.00 66.02 64.81 2dax s SER 145 CO -0.02 0.33 1.34 -1.54 0.98 0.00 0.00 173.24 174.33 2dax n SER 146 N 2.42 2.44 -0.12 7.02 3.41 -1.26 -4.93 113.62 122.61 2dax n SER 146 Ca -0.18 0.91 -0.12 0.00 -0.26 0.00 0.00 58.87 59.23 2dax n SER 146 Cb 0.52 -1.57 -0.03 0.00 -0.26 0.00 0.00 64.21 62.88 2dax n SER 146 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2dax h SER 147 N 1.04 0.73 -1.31 4.04 0.87 -2.04 -3.49 113.55 113.40 2dax h SER 147 Ca -0.51 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 59.66 2dax h SER 147 Cb 1.32 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2dax h SER 147 CO 0.55 0.96 0.00 0.61 -0.53 0.00 0.00 176.83 178.42 2dax n GLY 148 N -0.10 -0.42 3.55 5.77 0.00 -1.26 -4.96 105.19 107.77 2dax n GLY 148 Ca -0.02 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 2dax n GLY 148 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dax s PRO 149 N -0.64 2.59 0.01 1.61 0.04 -1.26 -4.92 135.00 132.43 2dax s PRO 149 Ca 0.00 0.19 -0.10 0.00 0.04 0.00 0.00 61.00 61.13 2dax s PRO 149 Cb 0.00 -4.70 0.01 0.00 0.04 0.00 0.00 34.50 29.85 2dax s PRO 149 CO 0.00 -3.03 0.21 -1.12 0.04 0.00 0.00 177.00 173.10 2dax s SER 150 N 8.07 -0.05 -0.14 6.66 0.01 -1.26 -5.07 113.70 121.93 2dax s SER 150 Ca 0.68 -0.15 -0.18 0.00 1.31 0.00 0.00 55.95 57.62 2dax s SER 150 Cb -0.10 0.26 -0.25 0.00 0.21 0.00 0.00 66.02 66.15 2dax s SER 150 CO 0.11 -0.45 0.47 0.28 0.41 0.00 0.00 173.24 174.06 2dax h SER 151 N 3.92 0.24 0.00 2.44 0.02 -2.05 -3.56 113.55 114.56 2dax h SER 151 Ca -0.31 -0.78 0.00 0.00 -0.84 0.00 0.00 61.79 59.86 2dax h SER 151 Cb 1.19 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2dax h SER 151 CO 0.42 1.54 0.00 0.61 -1.14 0.00 0.00 176.83 178.26