#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 6.19 0.13 1.61 0.01 -1.26 -5.00 113.70 115.38 2dax s SER 2 Ca 0.00 0.64 -0.34 0.00 1.31 0.00 0.00 55.95 57.55 2dax s SER 2 Cb 0.00 -2.05 -0.17 0.00 0.21 0.00 0.00 66.02 64.02 2dax s SER 2 CO 0.00 -0.49 1.12 -1.20 0.41 0.00 0.00 173.24 173.07 2dax n SER 3 N -2.05 0.90 0.00 2.44 7.64 -1.26 -4.89 113.62 116.40 2dax n SER 3 Ca -0.01 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.01 2dax n SER 3 Cb 0.56 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2dax n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dax n GLY 4 N 2.01 3.54 3.56 0.23 0.00 -1.26 -5.12 105.19 108.16 2dax n GLY 4 Ca 0.17 -0.20 -0.47 0.00 0.00 0.00 0.00 46.02 45.52 2dax n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dax n SER 5 N 0.00 1.05 -3.96 1.61 2.88 -1.26 -4.95 113.62 108.98 2dax n SER 5 Ca 0.00 1.15 -0.31 0.00 -1.33 0.00 0.00 58.87 58.39 2dax n SER 5 Cb 0.00 -1.21 -0.15 0.00 -0.75 0.00 0.00 64.21 62.10 2dax n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dax s SER 6 N -0.30 4.60 -0.07 -3.46 0.15 -1.26 -4.99 113.70 108.36 2dax s SER 6 Ca 0.67 -2.16 -0.03 0.00 0.70 0.00 0.00 55.95 55.13 2dax s SER 6 Cb -0.81 -1.50 -0.10 0.00 -1.71 0.00 0.00 66.02 61.89 2dax s SER 6 CO 0.55 -0.37 2.84 0.61 1.20 0.00 0.00 173.24 178.08 2dax n GLY 7 N 4.23 3.05 0.37 9.45 0.00 -1.26 -4.52 105.19 116.50 2dax n GLY 7 Ca 0.03 -0.84 0.09 0.00 0.00 0.00 0.00 46.02 45.31 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 2.17 0.74 -0.68 1.61 4.11 -2.01 -2.26 114.58 118.26 2dax h GLU 8 Ca 0.15 -0.04 0.13 0.00 0.07 0.00 0.00 59.36 59.67 2dax h GLU 8 Cb 1.21 -0.17 -0.13 0.00 0.50 0.00 0.00 28.75 30.16 2dax h GLU 8 CO 0.26 0.49 -0.25 0.37 0.07 0.00 0.00 179.01 179.95 2dax h GLN 9 N 0.76 -0.06 -0.88 1.06 4.15 -1.91 0.28 115.11 118.51 2dax h GLN 9 Ca 0.41 0.00 0.20 0.00 0.77 0.00 0.00 58.65 60.04 2dax h GLN 9 Cb 0.54 0.01 -0.12 0.00 0.21 0.00 0.00 27.48 28.13 2dax h GLN 9 CO -0.18 -0.04 0.40 0.00 -1.93 0.00 0.00 178.83 177.08 2dax h ALA 10 N 1.42 1.39 -0.33 3.38 0.00 -1.74 0.08 119.26 123.46 2dax h ALA 10 Ca 0.30 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 55.24 2dax h ALA 10 Cb 0.54 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2dax h ALA 10 CO -0.73 -0.28 -0.26 0.93 0.00 0.00 0.00 179.25 178.91 2dax h GLU 11 N 0.45 0.75 -0.60 0.00 5.08 -0.61 -2.61 114.58 117.04 2dax h GLU 11 Ca 0.53 -0.37 0.12 0.00 -1.00 0.00 0.00 59.36 58.64 2dax h GLU 11 Cb 0.96 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.10 2dax h GLU 11 CO -0.49 0.99 -0.22 0.00 -1.00 0.00 0.00 179.01 178.30 2dax h ALA 12 N 0.74 0.25 0.31 3.43 0.00 0.69 0.21 119.26 124.89 2dax h ALA 12 Ca 0.06 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2dax h ALA 12 Cb 0.83 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2dax h ALA 12 CO 0.07 -0.51 -0.15 1.96 0.00 0.00 0.00 179.25 180.62 2dax h GLN 13 N -0.07 -0.40 -1.00 0.00 4.20 -1.48 -3.23 115.11 113.14 2dax h GLN 13 Ca 0.28 0.03 0.09 0.00 0.06 0.00 0.00 58.65 59.10 2dax h GLN 13 Cb 0.49 0.09 -0.12 0.00 0.30 0.00 0.00 27.48 28.24 2dax h GLN 13 CO -0.65 -0.27 -0.59 1.25 -0.67 0.00 0.00 178.83 177.91 2dax h LEU 14 N -0.60 -2.16 -0.77 1.46 5.85 -1.29 -0.32 115.31 117.48 2dax h LEU 14 Ca -0.04 0.33 0.07 0.00 0.84 0.00 0.00 57.88 59.08 2dax h LEU 14 Cb 0.32 0.96 -0.09 0.00 0.37 0.00 0.00 40.66 42.21 2dax h LEU 14 CO 0.07 -0.23 -0.45 0.00 -0.34 0.00 0.00 178.44 177.49 2dax n ALA 15 N -3.25 -0.48 0.05 1.25 0.00 0.73 -0.09 120.51 118.72 2dax n ALA 15 Ca 0.02 0.66 -0.12 0.00 0.00 0.00 0.00 53.44 54.00 2dax n ALA 15 Cb 0.26 -0.11 -0.05 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.45 -0.15 0.00 4.57 -1.09 -2.21 114.58 115.24 2dax h GLU 16 Ca 0.13 0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.36 2dax h GLU 16 Cb 0.32 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.97 2dax h GLU 16 CO -0.72 -0.30 -0.34 -0.07 -1.18 0.00 0.00 179.01 176.40 2dax h LEU 17 N -0.47 -1.10 -0.92 1.64 3.38 0.07 -0.65 115.31 117.27 2dax h LEU 17 Ca 0.06 0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.30 2dax h LEU 17 Cb 0.56 0.44 -0.14 0.00 0.09 0.00 0.00 40.66 41.61 2dax h LEU 17 CO -0.28 -0.28 -0.44 -0.78 0.09 0.00 0.00 178.44 176.75 2dax h ASP 18 N -0.31 -1.60 0.12 -0.43 3.58 -0.84 -1.25 116.42 115.68 2dax h ASP 18 Ca 0.03 0.30 0.01 0.00 0.42 0.00 0.00 57.03 57.79 2dax h ASP 18 Cb 0.40 0.79 -0.03 0.00 1.72 0.00 0.00 39.33 42.20 2dax h ASP 18 CO -0.31 -0.28 -0.39 0.25 -2.88 0.00 0.00 179.24 175.63 2dax h LEU 19 N -0.04 -1.16 -0.80 2.28 6.46 -0.75 -2.75 115.31 118.55 2dax h LEU 19 Ca 0.27 0.12 0.08 0.00 -0.12 0.00 0.00 57.88 58.23 2dax h LEU 19 Cb 0.55 0.43 -0.10 0.00 -0.73 0.00 0.00 40.66 40.80 2dax h LEU 19 CO -0.92 -0.42 -0.45 0.18 -0.62 0.00 0.00 178.44 176.21 2dax n LEU 20 N -4.67 -0.80 -0.24 2.25 4.77 -0.32 0.11 117.00 118.10 2dax n LEU 20 Ca -0.07 1.42 0.17 0.00 -0.03 0.00 0.00 56.01 57.51 2dax n LEU 20 Cb 0.31 -0.21 0.33 0.00 -2.33 0.00 0.00 43.42 41.52 2dax n LEU 20 CO 0.12 -1.18 0.69 0.00 -1.33 0.00 0.00 177.39 175.69 2dax n ALA 21 N -3.43 0.57 0.06 -1.18 0.00 -0.88 0.24 120.51 115.89 2dax n ALA 21 Ca 0.03 0.77 -0.20 0.00 0.00 0.00 0.00 53.44 54.03 2dax n ALA 21 Cb 0.23 -0.67 -0.11 0.00 0.00 0.00 0.00 19.45 18.90 2dax n ALA 21 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dax h SER 22 N 0.00 0.89 -0.98 0.00 0.87 0.72 -3.26 113.55 111.79 2dax h SER 22 Ca 0.54 -0.74 0.15 0.00 -1.23 0.00 0.00 61.79 60.51 2dax h SER 22 Cb 1.30 -0.27 -0.09 0.00 -0.44 0.00 0.00 62.40 62.90 2dax h SER 22 CO -0.63 1.54 0.61 0.24 -0.53 0.00 0.00 176.83 178.07 2dax h MET 23 N 0.36 0.82 -3.15 2.24 2.07 0.37 -3.12 114.93 114.52 2dax h MET 23 Ca -0.14 -0.05 -0.72 0.00 -2.07 0.00 0.00 59.70 56.72 2dax h MET 23 Cb 1.76 -0.19 -0.34 0.00 -1.87 0.00 0.00 31.60 30.96 2dax h MET 23 CO 0.21 0.55 0.04 1.19 1.07 0.00 0.00 176.91 179.96 2dax n PHE 24 N -4.64 3.99 0.28 -0.22 3.01 -0.42 -4.86 117.46 114.60 2dax n PHE 24 Ca 0.20 -3.89 0.17 0.00 1.01 0.00 0.00 57.45 54.93 2dax n PHE 24 Cb 0.45 -1.15 0.69 0.00 -0.01 0.00 0.00 39.48 39.47 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 5.75 0.00 -4.30 -1.08 0.13 -1.69 -3.42 132.00 127.40 2dax h PRO 25 Ca 0.18 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.87 2dax h PRO 25 Cb 0.77 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.03 2dax h PRO 25 CO 0.94 0.02 -0.82 0.41 -0.23 0.00 0.00 178.00 178.33 2dax n GLY 26 N -0.02 -2.28 0.20 1.56 0.00 -1.26 -4.84 105.19 98.54 2dax n GLY 26 Ca 0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 2dax n GLY 26 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2dax h GLU 27 N 0.01 0.51 -1.00 1.61 9.09 -1.98 -3.34 114.58 119.48 2dax h GLU 27 Ca -0.29 -0.36 -0.41 0.00 0.05 0.00 0.00 59.36 58.35 2dax h GLU 27 Cb 1.04 0.06 -0.41 0.00 -1.65 0.00 0.00 28.75 27.79 2dax h GLU 27 CO 0.30 0.98 -1.04 0.09 0.05 0.00 0.00 179.01 179.40 2dax n ASN 28 N -3.91 2.58 0.00 3.06 3.02 -1.26 -4.92 115.26 113.83 2dax n ASN 28 Ca -0.04 -2.92 0.00 0.00 -0.03 0.00 0.00 54.58 51.59 2dax n ASN 28 Cb 0.65 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 2dax n ASN 28 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2dax n GLU 29 N -0.32 0.00 -3.52 3.52 -0.58 -1.25 -4.84 120.64 113.65 2dax n GLU 29 Ca 0.19 0.05 -0.37 0.00 -0.42 0.00 0.00 57.16 56.61 2dax n GLU 29 Cb 0.79 -0.41 -0.07 0.00 -0.57 0.00 0.00 31.44 31.18 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 -4.16 4.21 -0.08 -4.62 0.20 -1.26 -0.51 118.68 112.46 2dax s LEU 30 Ca 0.00 0.47 0.02 0.00 0.69 0.00 0.00 54.13 55.31 2dax s LEU 30 Cb 0.00 -2.38 0.01 0.00 -0.43 0.00 0.00 46.19 43.40 2dax s LEU 30 CO 0.00 0.06 -0.13 -0.63 -0.29 0.00 0.00 176.35 175.36 2dax s ILE 31 N 0.68 1.28 -0.18 6.68 1.09 -0.30 -5.00 121.20 125.45 2dax s ILE 31 Ca 0.16 -0.54 -0.03 0.00 -1.10 0.00 0.00 60.65 59.15 2dax s ILE 31 Cb -0.13 -1.17 -0.02 0.00 -1.06 0.00 0.00 42.46 40.08 2dax s ILE 31 CO 0.05 0.39 -0.06 0.54 -0.10 0.00 0.00 174.94 175.76 2dax s VAL 32 N 0.81 3.46 -0.18 2.92 0.11 -1.26 -0.22 120.40 126.04 2dax s VAL 32 Ca -0.11 -0.49 -0.22 0.00 -2.93 0.00 0.00 61.98 58.23 2dax s VAL 32 Cb -0.15 -2.53 -0.20 0.00 -1.53 0.00 0.00 36.38 31.97 2dax s VAL 32 CO 0.02 0.47 0.34 0.78 -3.33 0.00 0.00 175.10 173.37 2dax h ASN 33 N 7.36 0.00 -2.25 3.54 -0.26 -1.90 -3.42 115.58 118.64 2dax h ASN 33 Ca -0.34 -0.60 -0.68 0.00 -0.56 0.00 0.00 56.30 54.11 2dax h ASN 33 Cb 1.18 0.00 -0.17 0.00 -1.06 0.00 0.00 38.32 38.28 2dax h ASN 33 CO 0.60 1.29 0.92 -0.62 -1.06 0.00 0.00 177.43 178.55 2dax s ASP 34 N -6.58 6.62 0.01 5.81 -1.08 -1.03 -4.81 116.67 115.62 2dax s ASP 34 Ca -0.25 -1.99 -0.11 0.00 -0.52 0.00 0.00 52.55 49.68 2dax s ASP 34 Cb 0.03 -2.42 -0.33 0.00 -1.46 0.00 0.00 42.92 38.75 2dax s ASP 34 CO 0.58 -1.11 0.91 -0.61 0.52 0.00 0.00 175.17 175.47 2dax h GLN 35 N 8.92 0.43 -0.56 4.34 5.75 -1.86 -3.36 115.11 128.78 2dax h GLN 35 Ca 0.16 -0.74 0.09 0.00 -0.15 0.00 0.00 58.65 58.02 2dax h GLN 35 Cb 1.02 0.28 -0.11 0.00 1.07 0.00 0.00 27.48 29.74 2dax h GLN 35 CO 1.15 1.34 -0.38 1.25 -2.65 0.00 0.00 178.83 179.53 2dax h LEU 36 N 0.12 -1.32 -0.94 -2.39 5.85 -1.99 0.11 115.31 114.75 2dax h LEU 36 Ca -0.26 0.23 0.26 0.00 0.84 0.00 0.00 57.88 58.95 2dax h LEU 36 Cb 2.11 0.62 -0.17 0.00 0.37 0.00 0.00 40.66 43.59 2dax h LEU 36 CO 0.23 -0.32 0.09 0.00 -0.34 0.00 0.00 178.44 178.10 2dax h ALA 37 N 0.77 1.20 0.52 1.25 0.00 -1.86 -0.04 119.26 121.10 2dax h ALA 37 Ca 0.20 0.30 -0.03 0.00 0.00 0.00 0.00 54.91 55.39 2dax h ALA 37 Cb 0.56 0.51 0.01 0.00 0.00 0.00 0.00 17.79 18.86 2dax h ALA 37 CO -0.67 -0.56 -0.25 0.28 0.00 0.00 0.00 179.25 178.06 2dax h VAL 38 N 0.06 0.00 -1.00 0.00 2.07 -1.02 -2.13 116.25 114.23 2dax h VAL 38 Ca 0.58 -0.44 0.26 0.00 0.82 0.00 0.00 66.70 67.92 2dax h VAL 38 Cb 1.20 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 30.79 2dax h VAL 38 CO -0.83 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 176.72 2dax h ALA 39 N -1.23 1.07 -0.41 1.67 0.00 -0.15 1.09 119.26 121.30 2dax h ALA 39 Ca -0.07 0.36 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 2dax h ALA 39 Cb 0.54 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2dax h ALA 39 CO 0.12 -0.54 -0.20 0.93 0.00 0.00 0.00 179.25 179.56 2dax h GLU 40 N 0.00 0.80 -0.08 0.00 4.39 -1.09 -2.57 114.58 116.04 2dax h GLU 40 Ca 0.58 -0.32 0.02 0.00 0.34 0.00 0.00 59.36 59.99 2dax h GLU 40 Cb 1.14 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.75 2dax h GLU 40 CO -0.96 0.94 0.19 1.25 -1.16 0.00 0.00 179.01 179.27 2dax h LEU 41 N 0.71 0.00 0.16 1.33 5.85 0.19 0.20 115.31 123.75 2dax h LEU 41 Ca 0.10 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.50 2dax h LEU 41 Cb 0.72 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.75 2dax h LEU 41 CO 0.05 0.00 -1.55 0.11 -0.34 0.00 0.00 178.44 176.72 2dax h LYS 42 N 0.00 0.34 0.01 1.25 6.56 -0.99 -3.34 116.57 120.39 2dax h LYS 42 Ca 0.04 -0.57 -0.00 0.00 -1.06 0.00 0.00 60.65 59.05 2dax h LYS 42 Cb 0.42 0.21 0.00 0.00 -0.57 0.00 0.00 32.23 32.30 2dax h LYS 42 CO -0.00 1.23 -0.00 0.22 -2.06 0.00 0.00 179.45 178.84 2dax h ASP 43 N 0.09 -0.01 -0.99 0.86 3.58 -0.98 -3.20 116.42 115.78 2dax h ASP 43 Ca -0.26 -0.78 0.37 0.00 0.42 0.00 0.00 57.03 56.78 2dax h ASP 43 Cb 2.06 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 42.94 2dax h ASP 43 CO 0.19 0.79 0.43 0.00 -2.88 0.00 0.00 179.24 177.77 2dax h ILE 45 N 0.07 1.20 -0.87 0.00 2.04 -1.67 0.31 117.51 118.58 2dax h ILE 45 Ca 0.77 -0.79 0.05 0.00 1.00 0.00 0.00 64.86 65.88 2dax h ILE 45 Cb 1.90 1.72 -0.06 0.00 -0.74 0.00 0.00 36.82 39.65 2dax h ILE 45 CO -0.77 0.20 0.55 -0.33 0.00 0.00 0.00 178.15 177.80 2dax h GLU 46 N -0.41 1.01 0.00 2.37 4.39 -0.32 -1.31 114.58 120.31 2dax h GLU 46 Ca -0.01 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 2dax h GLU 46 Cb 0.37 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2dax h GLU 46 CO 0.01 0.67 -0.29 0.87 -1.16 0.00 0.00 179.01 179.11 2dax h LYS 47 N 1.04 0.00 -6.06 2.33 1.57 -0.62 -3.47 116.57 111.36 2dax h LYS 47 Ca 0.36 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.71 2dax h LYS 47 Cb 0.07 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.44 2dax h LYS 47 CO -0.14 0.29 -0.76 1.63 -0.57 0.00 0.00 179.45 179.90 2dax n LYS 48 N -3.22 -6.11 0.00 3.15 4.76 0.11 -4.86 118.16 111.98 2dax n LYS 48 Ca 0.02 0.69 0.00 0.00 -2.87 0.00 0.00 58.31 56.15 2dax n LYS 48 Cb 0.60 -5.55 0.00 0.00 -1.84 0.00 0.00 35.03 28.23 2dax n LYS 48 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 2dax n THR 49 N -4.60 0.00 -4.12 -0.18 5.66 -1.15 -4.96 114.28 104.93 2dax n THR 49 Ca -0.09 -0.27 -0.28 0.00 -3.05 0.00 0.00 64.05 60.35 2dax n THR 49 Cb 0.59 0.85 -0.05 0.00 -1.55 0.00 0.00 70.33 70.17 2dax n THR 49 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 2dax n MET 50 N -0.79 -2.29 -0.07 1.09 2.81 -1.25 -4.87 117.12 111.76 2dax n MET 50 Ca 0.00 0.27 -0.22 0.00 -1.81 0.00 0.00 57.70 55.94 2dax n MET 50 Cb 0.00 -4.18 -0.12 0.00 -0.71 0.00 0.00 33.22 28.21 2dax n MET 50 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2dax n GLU 51 N -4.47 0.65 0.00 0.03 2.13 -1.26 -4.87 120.64 112.85 2dax n GLU 51 Ca -0.29 0.37 0.00 0.00 0.66 0.00 0.00 57.16 57.90 2dax n GLU 51 Cb 0.68 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.71 2dax n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dax n GLY 52 N 1.72 -2.65 3.43 8.31 0.00 -1.26 -4.60 105.19 110.14 2dax n GLY 52 Ca -0.36 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 -0.92 0.04 1.61 1.74 -1.26 -4.76 116.66 113.11 2dax n ARG 53 Ca 0.00 -0.01 -0.16 0.00 -0.77 0.00 0.00 57.85 56.91 2dax n ARG 53 Cb 0.00 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 29.81 2dax n ARG 53 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2dax h SER 54 N -0.17 0.34 -2.26 0.55 0.02 -1.93 -3.47 113.55 106.62 2dax h SER 54 Ca -0.31 -0.53 -0.53 0.00 -0.84 0.00 0.00 61.79 59.58 2dax h SER 54 Cb 0.65 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 63.01 2dax h SER 54 CO 0.31 1.45 -0.57 -0.44 -1.14 0.00 0.00 176.83 176.44 2dax s SER 55 N -6.87 5.17 -0.04 3.07 0.01 -1.26 -5.10 113.70 108.68 2dax s SER 55 Ca -0.10 -0.38 -0.25 0.00 1.31 0.00 0.00 55.95 56.53 2dax s SER 55 Cb 0.07 -1.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.06 2dax s SER 55 CO 0.84 -0.01 0.75 -0.54 0.41 0.00 0.00 173.24 174.68 2dax s LYS 56 N -3.70 4.46 -0.57 12.44 1.02 -1.26 -4.77 119.74 127.36 2dax s LYS 56 Ca 0.32 0.98 -0.26 0.00 0.02 0.00 0.00 55.97 57.03 2dax s LYS 56 Cb -0.08 -3.44 -0.09 0.00 -0.52 0.00 0.00 37.83 33.71 2dax s LYS 56 CO 0.23 0.07 2.42 0.08 -0.92 0.00 0.00 175.35 177.23 2dax s VAL 57 N 0.73 3.00 -0.25 3.17 1.01 -1.23 -4.87 120.40 121.96 2dax s VAL 57 Ca 0.40 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 62.25 2dax s VAL 57 Cb -0.18 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2dax s VAL 57 CO 0.20 -0.01 0.28 -0.47 0.00 0.00 0.00 175.10 175.10 2dax s TYR 58 N 12.96 3.28 -0.23 5.22 5.04 -1.26 -2.83 117.35 139.53 2dax s TYR 58 Ca 0.96 0.32 -0.11 0.00 -2.44 0.00 0.00 57.07 55.81 2dax s TYR 58 Cb -0.16 -2.44 0.08 0.00 0.35 0.00 0.00 41.96 39.80 2dax s TYR 58 CO 0.21 -0.10 0.53 -0.59 -1.34 0.00 0.00 175.55 174.26 2dax s PHE 59 N 1.61 -0.90 0.29 4.97 -0.71 -1.04 -2.46 117.98 119.73 2dax s PHE 59 Ca 0.12 1.75 0.01 0.00 -1.04 0.00 0.00 56.93 57.78 2dax s PHE 59 Cb -0.15 0.47 -0.03 0.00 -1.21 0.00 0.00 43.02 42.09 2dax s PHE 59 CO 0.09 -0.48 0.47 0.99 -1.34 0.00 0.00 175.22 174.94 2dax s THR 60 N 1.99 5.17 -0.06 -4.49 2.01 0.69 -1.23 115.64 119.72 2dax s THR 60 Ca -0.07 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.34 2dax s THR 60 Cb -0.09 -3.84 0.02 0.00 0.01 0.00 0.00 72.50 68.61 2dax s THR 60 CO -0.16 -0.42 -0.05 -0.63 -0.69 0.00 0.00 174.62 172.67 2dax s ILE 61 N -2.14 0.61 -0.25 1.82 1.01 -0.81 -1.15 121.20 120.30 2dax s ILE 61 Ca 0.38 -0.13 -0.09 0.00 0.00 0.00 0.00 60.65 60.81 2dax s ILE 61 Cb -0.10 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 2dax s ILE 61 CO 0.33 0.26 0.11 0.20 0.00 0.00 0.00 174.94 175.83 2dax s ASN 62 N 1.13 5.47 -0.13 3.58 0.01 0.33 -0.43 114.94 124.89 2dax s ASN 62 Ca -0.08 -0.11 0.01 0.00 -0.71 0.00 0.00 52.86 51.97 2dax s ASN 62 Cb -0.14 -1.99 0.02 0.00 0.41 0.00 0.00 41.25 39.55 2dax s ASN 62 CO -0.01 -0.02 -0.16 -0.04 -1.51 0.00 0.00 177.10 175.36 2dax s MET 63 N 1.53 2.36 -0.37 -0.60 -1.94 -0.99 -4.63 119.30 114.66 2dax s MET 63 Ca 0.06 -0.60 -0.25 0.00 -1.71 0.00 0.00 55.69 53.19 2dax s MET 63 Cb -0.15 -2.04 0.01 0.00 2.01 0.00 0.00 34.83 34.66 2dax s MET 63 CO 0.06 -0.12 0.87 0.54 -0.01 0.00 0.00 175.02 176.35 2dax s ASN 64 N 1.16 6.63 0.10 3.03 4.22 -1.26 -1.50 114.94 127.31 2dax s ASN 64 Ca -0.02 0.50 -0.04 0.00 -2.14 0.00 0.00 52.86 51.16 2dax s ASN 64 Cb -0.14 -2.44 -0.03 0.00 1.28 0.00 0.00 41.25 39.92 2dax s ASN 64 CO -0.05 -0.81 0.09 -0.76 -2.04 0.00 0.00 177.10 173.53 2dax s LEU 65 N 3.33 1.84 0.36 3.54 1.43 -0.67 -4.95 118.68 123.56 2dax s LEU 65 Ca 0.36 -0.96 -0.14 0.00 -1.03 0.00 0.00 54.13 52.35 2dax s LEU 65 Cb -0.12 0.56 -0.08 0.00 0.03 0.00 0.00 46.19 46.57 2dax s LEU 65 CO 0.18 -0.71 0.78 1.51 0.23 0.00 0.00 176.35 178.34 2dax s ASP 66 N -2.95 6.71 0.00 2.29 -4.77 -1.26 -0.85 116.67 115.84 2dax s ASP 66 Ca 0.13 1.29 0.00 0.00 -3.30 0.00 0.00 52.55 50.66 2dax s ASP 66 Cb 0.06 -2.38 0.00 0.00 -1.09 0.00 0.00 42.92 39.52 2dax s ASP 66 CO -0.06 -0.29 0.00 1.33 0.70 0.00 0.00 175.17 176.85 2dax n VAL 67 N -0.71 0.00 -3.69 2.11 0.24 -1.18 -4.68 118.33 110.42 2dax n VAL 67 Ca 0.04 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.34 2dax n VAL 67 Cb 0.53 -0.97 -0.00 0.00 -1.47 0.00 0.00 33.84 31.93 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 -4.49 -0.07 -1.44 -1.34 0.15 -1.26 -4.86 113.70 100.38 2dax s SER 68 Ca 0.00 -0.21 -0.13 0.00 0.70 0.00 0.00 55.95 56.31 2dax s SER 68 Cb 0.00 0.23 0.10 0.00 -1.71 0.00 0.00 66.02 64.64 2dax s SER 68 CO 0.00 -0.44 0.67 0.47 1.20 0.00 0.00 173.24 175.14 2dax n ASP 69 N -0.57 -3.90 -2.63 5.45 8.00 -1.26 -0.06 116.55 121.58 2dax n ASP 69 Ca -0.07 -0.62 -0.12 0.00 0.71 0.00 0.00 54.79 54.69 2dax n ASP 69 Cb 0.62 -3.19 -0.00 0.00 -0.02 0.00 0.00 41.12 38.52 2dax n ASP 69 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2dax n GLU 70 N -4.08 -2.57 -3.13 -1.24 -0.58 -1.26 -4.93 120.64 102.84 2dax n GLU 70 Ca 0.02 0.46 -0.18 0.00 -0.42 0.00 0.00 57.16 57.04 2dax n GLU 70 Cb 0.53 -5.06 0.00 0.00 -0.57 0.00 0.00 31.44 26.34 2dax n GLU 70 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2dax s LYS 71 N -5.21 2.78 0.11 3.49 1.02 0.92 -5.05 119.74 117.80 2dax s LYS 71 Ca 0.08 -1.29 0.06 0.00 0.02 0.00 0.00 55.97 54.84 2dax s LYS 71 Cb -0.04 -2.68 -0.04 0.00 -0.52 0.00 0.00 37.83 34.55 2dax s LYS 71 CO 0.09 -0.25 -0.15 -1.64 -0.92 0.00 0.00 175.35 172.49 2dax s MET 72 N -4.30 1.01 0.07 1.68 -1.94 -1.26 -3.09 119.30 111.47 2dax s MET 72 Ca 0.53 -1.18 -0.22 0.00 -1.71 0.00 0.00 55.69 53.11 2dax s MET 72 Cb -0.09 -0.99 0.05 0.00 2.01 0.00 0.00 34.83 35.82 2dax s MET 72 CO 0.32 0.20 0.53 0.00 -0.01 0.00 0.00 175.02 176.06 2dax s ALA 73 N -1.80 -1.35 0.26 3.03 0.00 -0.03 -4.94 121.76 116.93 2dax s ALA 73 Ca 0.07 0.53 -0.14 0.00 0.00 0.00 0.00 51.96 52.42 2dax s ALA 73 Cb -0.07 0.49 -0.08 0.00 0.00 0.00 0.00 23.12 23.46 2dax s ALA 73 CO 0.03 -0.56 0.66 -1.64 0.00 0.00 0.00 175.76 174.26 2dax s MET 74 N -2.78 3.98 -0.25 0.00 -1.94 -1.26 -1.67 119.30 115.38 2dax s MET 74 Ca -0.03 0.57 -0.00 0.00 -1.71 0.00 0.00 55.69 54.51 2dax s MET 74 Cb -0.00 -2.60 0.07 0.00 2.01 0.00 0.00 34.83 34.31 2dax s MET 74 CO -0.04 0.27 0.02 -0.06 -0.01 0.00 0.00 175.02 175.20 2dax s PHE 75 N -1.82 1.90 -0.04 -0.03 0.40 -0.56 -4.86 117.98 112.97 2dax s PHE 75 Ca 0.49 -1.59 -0.28 0.00 -0.60 0.00 0.00 56.93 54.95 2dax s PHE 75 Cb -0.12 -1.56 -0.03 0.00 0.51 0.00 0.00 43.02 41.82 2dax s PHE 75 CO 0.19 -0.77 0.90 -1.54 0.70 0.00 0.00 175.22 174.70 2dax s SER 76 N 1.56 7.23 -0.41 1.36 1.04 -1.07 -2.35 113.70 121.05 2dax s SER 76 Ca 0.01 1.49 0.03 0.00 0.48 0.00 0.00 55.95 57.96 2dax s SER 76 Cb -0.18 -2.52 0.11 0.00 0.10 0.00 0.00 66.02 63.54 2dax s SER 76 CO -0.13 -0.26 0.15 -0.76 0.98 0.00 0.00 173.24 173.23 2dax s LEU 77 N 1.17 3.97 -0.84 2.42 1.02 0.42 -0.96 118.68 125.88 2dax s LEU 77 Ca 0.47 -2.44 -0.25 0.00 0.02 0.00 0.00 54.13 51.93 2dax s LEU 77 Cb -0.19 -1.44 -0.02 0.00 0.02 0.00 0.00 46.19 44.56 2dax s LEU 77 CO 0.23 -0.32 1.77 0.00 0.02 0.00 0.00 176.35 178.05 2dax s ALA 78 N 0.53 2.08 -0.20 4.21 0.00 -0.58 -1.92 121.76 125.89 2dax s ALA 78 Ca 0.14 -1.43 -0.17 0.00 0.00 0.00 0.00 51.96 50.50 2dax s ALA 78 Cb -0.22 -4.46 -0.04 0.00 0.00 0.00 0.00 23.12 18.40 2dax s ALA 78 CO -0.06 -4.24 0.46 0.00 0.00 0.00 0.00 175.76 171.92 2dax s ILE 80 N 1.42 1.48 -0.25 0.00 1.01 -1.21 -2.50 121.20 121.15 2dax s ILE 80 Ca 0.22 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.89 2dax s ILE 80 Cb -0.15 -1.26 0.02 0.00 0.01 0.00 0.00 42.46 41.08 2dax s ILE 80 CO 0.09 0.29 -0.04 -0.76 0.00 0.00 0.00 174.94 174.52 2dax s LEU 81 N -0.76 3.26 0.00 2.97 1.43 -1.13 -1.42 118.68 123.03 2dax s LEU 81 Ca 0.07 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 2dax s LEU 81 Cb -0.08 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.43 2dax s LEU 81 CO 0.00 -0.12 0.00 -0.81 0.23 0.00 0.00 176.35 175.65 2dax n PRO 82 N 4.72 -0.74 -1.02 1.29 -0.04 -1.26 -3.49 135.00 134.46 2dax n PRO 82 Ca -0.16 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.20 2dax n PRO 82 Cb 0.48 0.00 0.25 0.00 -0.04 0.00 0.00 33.50 34.19 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 -2.23 2.35 0.00 0.54 3.72 -1.26 -4.37 117.46 116.20 2dax n PHE 83 Ca 0.00 -1.44 0.00 0.00 -0.05 0.00 0.00 57.45 55.96 2dax n PHE 83 Cb 0.00 -0.72 0.00 0.00 -0.94 0.00 0.00 39.48 37.82 2dax n PHE 83 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2dax n LYS 84 N -0.62 0.00 -0.61 -1.08 5.02 -1.26 -5.07 118.16 114.54 2dax n LYS 84 Ca 0.44 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.53 2dax n LYS 84 Cb 1.39 -0.75 -0.01 0.00 -0.02 0.00 0.00 35.03 35.65 2dax n LYS 84 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 2dax n TYR 85 N -2.38 -0.36 0.59 2.13 9.36 -1.25 -1.20 117.16 124.04 2dax n TYR 85 Ca 0.00 0.40 0.07 0.00 3.32 0.00 0.00 57.90 61.69 2dax n TYR 85 Cb 0.37 -0.85 0.34 0.00 -0.63 0.00 0.00 39.34 38.56 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 0.47 0.10 0.00 2.98 -0.04 -1.26 -4.85 135.00 132.40 2dax n PRO 86 Ca 0.07 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2dax n PRO 86 Cb 0.12 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 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 -1.40 0.00 -2.68 0.55 0.00 -0.34 -4.11 120.51 112.52 2dax n ALA 87 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.13 2dax n ALA 87 Cb 0.14 0.20 -0.09 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.67 5.37 0.99 0.00 -7.23 -1.26 -4.74 120.40 111.87 2dax s VAL 88 Ca 0.00 0.19 -0.17 0.00 -1.81 0.00 0.00 61.98 60.19 2dax s VAL 88 Cb 0.00 -3.50 -0.12 0.00 0.56 0.00 0.00 36.38 33.33 2dax s VAL 88 CO 0.00 0.37 -0.63 0.18 -0.31 0.00 0.00 175.10 174.71 2dax n LEU 89 N 4.05 -4.73 -4.68 1.32 7.99 -1.26 -3.91 117.00 115.78 2dax n LEU 89 Ca -0.15 0.19 -0.29 0.00 -0.01 0.00 0.00 56.01 55.75 2dax n LEU 89 Cb 0.52 -0.83 0.18 0.00 -0.11 0.00 0.00 43.42 43.18 2dax n LEU 89 CO 0.36 -5.32 0.64 -2.16 -1.51 0.00 0.00 177.39 169.40 2dax s PRO 90 N -2.32 0.45 -0.82 3.23 0.04 -1.26 -4.84 135.00 129.48 2dax s PRO 90 Ca 0.43 0.53 0.02 0.00 0.04 0.00 0.00 61.00 62.02 2dax s PRO 90 Cb -0.16 -1.74 0.30 0.00 0.04 0.00 0.00 34.50 32.94 2dax s PRO 90 CO 0.79 -2.72 1.18 0.39 0.04 0.00 0.00 177.00 176.68 2dax n GLU 91 N -4.17 3.73 -2.65 4.56 -0.58 -0.51 -4.97 120.64 116.06 2dax n GLU 91 Ca 0.05 -4.68 -0.42 0.00 -0.42 0.00 0.00 57.16 51.68 2dax n GLU 91 Cb 0.57 -2.36 -0.03 0.00 -0.57 0.00 0.00 31.44 29.05 2dax n GLU 91 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2dax s ILE 92 N -3.32 4.70 -0.29 -3.67 1.01 -1.25 -3.35 121.20 115.04 2dax s ILE 92 Ca 0.39 1.97 0.03 0.00 0.00 0.00 0.00 60.65 63.04 2dax s ILE 92 Cb 0.16 -4.27 0.08 0.00 0.01 0.00 0.00 42.46 38.44 2dax s ILE 92 CO -0.02 0.03 -0.03 -0.89 0.00 0.00 0.00 174.94 174.03 2dax s THR 93 N 1.87 1.97 0.23 2.92 2.01 0.32 -4.88 115.64 120.09 2dax s THR 93 Ca 0.50 -1.78 -0.30 0.00 0.31 0.00 0.00 61.69 60.42 2dax s THR 93 Cb -0.20 -2.27 -0.09 0.00 0.01 0.00 0.00 72.50 69.95 2dax s THR 93 CO 0.20 -0.29 1.00 -0.69 -0.69 0.00 0.00 174.62 174.15 2dax s VAL 94 N 1.13 3.92 0.02 3.82 1.01 -1.26 -1.52 120.40 127.52 2dax s VAL 94 Ca 0.00 1.88 0.00 0.00 0.00 0.00 0.00 61.98 63.86 2dax s VAL 94 Cb -0.19 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 2dax s VAL 94 CO -0.08 0.42 -0.03 -0.13 0.00 0.00 0.00 175.10 175.28 2dax s ARG 95 N -1.07 0.31 -0.26 2.72 0.52 -0.13 -4.87 118.95 116.16 2dax s ARG 95 Ca 0.43 -0.59 -0.26 0.00 -0.52 0.00 0.00 55.73 54.79 2dax s ARG 95 Cb -0.28 0.07 0.15 0.00 0.52 0.00 0.00 34.95 35.41 2dax s ARG 95 CO 0.35 -0.04 1.16 0.45 0.02 0.00 0.00 175.30 177.24 2dax s SER 96 N -1.39 -0.30 0.30 0.23 0.15 -1.26 -2.60 113.70 108.82 2dax s SER 96 Ca -0.15 0.52 0.03 0.00 0.70 0.00 0.00 55.95 57.06 2dax s SER 96 Cb -0.09 0.50 0.46 0.00 -1.71 0.00 0.00 66.02 65.18 2dax s SER 96 CO -0.01 -0.14 1.75 1.62 1.20 0.00 0.00 173.24 177.66 2dax h VAL 97 N 3.14 1.25 0.22 4.45 3.04 -2.02 -3.14 116.25 123.20 2dax h VAL 97 Ca -0.24 -1.20 -0.01 0.00 -1.01 0.00 0.00 66.70 64.24 2dax h VAL 97 Cb 1.18 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 2dax h VAL 97 CO 0.17 0.38 -0.10 -0.07 -1.01 0.00 0.00 177.57 176.94 2dax h LEU 98 N 0.40 -0.25 -9.70 3.16 3.38 -1.96 -3.44 115.31 106.91 2dax h LEU 98 Ca 0.06 -0.04 -0.37 0.00 0.09 0.00 0.00 57.88 57.62 2dax h LEU 98 Cb 0.62 0.06 0.20 0.00 0.09 0.00 0.00 40.66 41.64 2dax h LEU 98 CO 0.04 -0.12 -0.41 0.18 0.09 0.00 0.00 178.44 178.23 2dax n LEU 99 N -5.19 -1.48 -4.36 1.67 4.77 -1.19 -4.92 117.00 106.31 2dax n LEU 99 Ca -0.09 -0.41 -0.19 0.00 -0.03 0.00 0.00 56.01 55.29 2dax n LEU 99 Cb 0.16 -0.99 -0.10 0.00 -2.33 0.00 0.00 43.42 40.16 2dax n LEU 99 CO 0.34 -3.61 -0.41 -0.55 -1.33 0.00 0.00 177.39 171.83 2dax s SER 100 N -2.33 2.51 0.34 -1.43 0.15 -1.26 -4.90 113.70 106.77 2dax s SER 100 Ca 0.57 -1.07 0.13 0.00 0.70 0.00 0.00 55.95 56.29 2dax s SER 100 Cb -0.14 -0.12 1.07 0.00 -1.71 0.00 0.00 66.02 65.12 2dax s SER 100 CO 0.56 -0.24 1.64 -0.09 1.20 0.00 0.00 173.24 176.31 2dax h ARG 101 N 2.51 0.22 0.02 5.44 9.65 -1.96 0.19 114.38 130.45 2dax h ARG 101 Ca -0.38 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.48 2dax h ARG 101 Cb 1.22 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 2dax h ARG 101 CO 0.63 0.15 -0.01 0.77 2.80 0.00 0.00 179.97 184.31 2dax h SER 102 N 0.23 -0.02 -0.57 -3.80 0.02 -2.00 -3.24 113.55 104.16 2dax h SER 102 Ca 0.72 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.73 2dax h SER 102 Cb 1.68 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 64.15 2dax h SER 102 CO -0.66 0.03 -0.38 1.56 -1.14 0.00 0.00 176.83 176.23 2dax h GLN 103 N -0.12 -0.06 -0.45 3.45 1.08 -1.83 -1.69 115.11 115.49 2dax h GLN 103 Ca -0.00 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.24 2dax h GLN 103 Cb 0.02 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.41 2dax h GLN 103 CO 0.00 -0.04 -0.26 0.94 -0.95 0.00 0.00 178.83 178.52 2dax n GLN 104 N -4.48 -0.20 -0.23 1.46 -0.06 0.64 -1.03 117.38 113.49 2dax n GLN 104 Ca 0.00 1.04 -0.08 0.00 -2.00 0.00 0.00 57.00 55.96 2dax n GLN 104 Cb 0.18 -1.53 -0.07 0.00 -4.06 0.00 0.00 30.24 24.76 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 -0.93 1.69 2.02 -1.34 0.36 112.91 114.70 2dax h THR 105 Ca 0.07 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.52 2dax h THR 105 Cb 0.18 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.45 2dax h THR 105 CO -0.42 0.00 0.36 -0.61 0.37 0.00 0.00 175.52 175.22 2dax h GLN 106 N -0.07 0.24 -0.55 6.66 5.75 -0.70 0.42 115.11 126.86 2dax h GLN 106 Ca 0.09 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 2dax h GLN 106 Cb 0.30 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 2dax h GLN 106 CO -0.55 0.16 0.20 1.25 -2.65 0.00 0.00 178.83 177.23 2dax h LEU 107 N 0.24 0.78 0.01 -2.39 6.46 0.95 -2.34 115.31 119.03 2dax h LEU 107 Ca 0.63 -0.19 0.02 0.00 -0.12 0.00 0.00 57.88 58.22 2dax h LEU 107 Cb 1.35 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 41.05 2dax h LEU 107 CO -0.65 0.75 -0.11 0.78 -0.62 0.00 0.00 178.44 178.59 2dax h ASN 108 N 0.76 -0.32 0.48 1.25 2.35 0.19 -0.98 115.58 119.31 2dax h ASN 108 Ca 0.18 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 2dax h ASN 108 Cb 0.23 0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 2dax h ASN 108 CO -0.01 -0.16 -0.44 0.74 -1.65 0.00 0.00 177.43 175.91 2dax h THR 109 N -0.20 0.00 -0.34 2.81 2.02 -1.22 -2.97 112.91 113.02 2dax h THR 109 Ca 0.04 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.27 2dax h THR 109 Cb 0.24 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.57 2dax h THR 109 CO -0.10 0.00 -0.52 0.44 0.37 0.00 0.00 175.52 175.71 2dax h ASP 110 N -0.90 -1.71 -0.70 4.18 5.19 -1.37 -1.95 116.42 119.16 2dax h ASP 110 Ca -0.06 0.23 0.07 0.00 -0.62 0.00 0.00 57.03 56.65 2dax h ASP 110 Cb 0.77 0.70 -0.09 0.00 0.18 0.00 0.00 39.33 40.89 2dax h ASP 110 CO -0.03 -0.42 -0.39 -0.11 -3.12 0.00 0.00 179.24 175.17 2dax n LEU 111 N -5.40 -0.70 0.12 1.55 7.94 -0.38 0.21 117.00 120.34 2dax n LEU 111 Ca -0.03 1.24 -0.13 0.00 -1.11 0.00 0.00 56.01 55.98 2dax n LEU 111 Cb 0.35 -0.18 -0.06 0.00 0.53 0.00 0.00 43.42 44.07 2dax n LEU 111 CO 0.04 -1.03 0.69 0.74 -1.11 0.00 0.00 177.39 176.72 2dax h THR 112 N 0.00 0.43 -0.92 1.96 2.02 -1.22 -2.74 112.91 112.44 2dax h THR 112 Ca 0.13 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.46 2dax h THR 112 Cb 0.31 0.43 -0.15 0.00 -1.74 0.00 0.00 68.15 66.99 2dax h THR 112 CO -0.66 0.00 -0.35 0.00 0.37 0.00 0.00 175.52 174.88 2dax n ALA 113 N -2.60 -0.08 -0.30 6.16 0.00 0.13 -0.80 120.51 123.03 2dax n ALA 113 Ca -0.07 0.93 -0.09 0.00 0.00 0.00 0.00 53.44 54.21 2dax n ALA 113 Cb 0.29 -0.43 -0.08 0.00 0.00 0.00 0.00 19.45 19.23 2dax n ALA 113 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2dax h PHE 114 N 0.00 -1.50 0.45 0.00 3.57 -1.04 -1.26 116.94 117.16 2dax h PHE 114 Ca 0.33 0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.91 2dax h PHE 114 Cb 0.57 0.75 0.00 0.00 2.79 0.00 0.00 35.95 40.06 2dax h PHE 114 CO -0.80 -0.31 -0.22 -0.07 -2.23 0.00 0.00 178.31 174.68 2dax h LEU 115 N -0.06 -0.51 -0.81 0.59 3.38 -1.03 0.43 115.31 117.30 2dax h LEU 115 Ca 0.12 -0.01 0.33 0.00 0.09 0.00 0.00 57.88 58.41 2dax h LEU 115 Cb 0.36 0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.10 2dax h LEU 115 CO -0.71 -0.32 0.44 0.00 0.09 0.00 0.00 178.44 177.94 2dax n GLN 116 N -5.33 -0.05 -0.04 1.13 1.13 -0.04 0.13 117.38 114.31 2dax n GLN 116 Ca -0.11 1.07 -0.03 0.00 -1.94 0.00 0.00 57.00 55.99 2dax n GLN 116 Cb 0.27 -1.94 -0.01 0.00 0.11 0.00 0.00 30.24 28.66 2dax n GLN 116 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2dax n LYS 117 N -4.73 0.24 0.21 -1.09 4.81 -0.56 -4.33 118.16 112.71 2dax n LYS 117 Ca 0.30 0.26 -0.17 0.00 -0.87 0.00 0.00 58.31 57.83 2dax n LYS 117 Cb 1.03 -1.11 -0.10 0.00 0.02 0.00 0.00 35.03 34.87 2dax n LYS 117 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2dax h HIS 118 N -0.50 -1.45 -3.42 5.64 3.86 0.38 -3.34 115.15 116.32 2dax h HIS 118 Ca 0.00 0.02 -0.74 0.00 -1.16 0.00 0.00 60.37 58.49 2dax h HIS 118 Cb 0.36 0.59 -0.29 0.00 1.06 0.00 0.00 27.41 29.13 2dax h HIS 118 CO -0.15 -0.64 -0.24 0.00 0.86 0.00 0.00 177.93 177.76 2dax s HIS 120 N 0.91 1.28 0.00 0.00 5.04 -1.22 -3.80 115.29 117.50 2dax s HIS 120 Ca 0.10 -0.36 0.00 0.00 -1.54 0.00 0.00 55.06 53.26 2dax s HIS 120 Cb -0.22 -0.89 0.00 0.00 0.04 0.00 0.00 32.58 31.50 2dax s HIS 120 CO -0.02 -0.14 0.00 0.41 -2.34 0.00 0.00 174.74 172.65 2dax n GLY 121 N 3.28 2.65 3.70 1.59 0.00 -1.26 -4.98 105.19 110.17 2dax n GLY 121 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 2dax n GLY 121 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dax s ASP 122 N -3.81 3.96 -0.26 1.61 1.01 -1.26 -4.70 116.67 113.22 2dax s ASP 122 Ca 0.00 -1.57 -0.03 0.00 0.71 0.00 0.00 52.55 51.66 2dax s ASP 122 Cb 0.00 0.26 0.02 0.00 1.01 0.00 0.00 42.92 44.21 2dax s ASP 122 CO 0.00 -0.74 -0.03 0.68 0.21 0.00 0.00 175.17 175.29 2dax s VAL 123 N -2.86 3.13 -0.28 -1.27 -7.23 -1.26 -4.68 120.40 105.95 2dax s VAL 123 Ca 0.15 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 2dax s VAL 123 Cb 0.04 -2.58 0.17 0.00 0.56 0.00 0.00 36.38 34.57 2dax s VAL 123 CO 0.08 0.19 0.52 0.00 -0.31 0.00 0.00 175.10 175.58 2dax n ILE 125 N 5.40 1.74 -0.29 0.00 2.08 -1.26 -4.23 119.36 122.81 2dax n ILE 125 Ca -0.00 -0.56 0.11 0.00 0.56 0.00 0.00 62.75 62.85 2dax n ILE 125 Cb 0.51 -1.78 0.26 0.00 -0.75 0.00 0.00 39.64 37.88 2dax n ILE 125 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 2dax h LEU 126 N -0.09 0.16 -1.18 1.39 3.38 -1.98 0.21 115.31 117.19 2dax h LEU 126 Ca -0.42 0.16 0.33 0.00 0.09 0.00 0.00 57.88 58.04 2dax h LEU 126 Cb 1.92 0.18 -0.13 0.00 0.09 0.00 0.00 40.66 42.72 2dax h LEU 126 CO 0.04 -0.04 0.66 0.78 0.09 0.00 0.00 178.44 179.97 2dax h ASN 127 N 0.32 0.45 0.66 -0.43 4.21 -1.99 0.05 115.58 118.85 2dax h ASN 127 Ca 0.51 0.15 -0.03 0.00 1.21 0.00 0.00 56.30 58.14 2dax h ASN 127 Cb 0.95 0.10 0.01 0.00 -1.12 0.00 0.00 38.32 38.25 2dax h ASN 127 CO -0.55 -0.08 -0.32 0.00 -1.29 0.00 0.00 177.43 175.20 2dax h ALA 128 N 1.73 -0.88 -0.58 -0.83 0.00 -0.81 -1.95 119.26 115.93 2dax h ALA 128 Ca 0.72 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.60 2dax h ALA 128 Cb 1.82 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.93 2dax h ALA 128 CO -0.48 -0.82 0.54 1.79 0.00 0.00 0.00 179.25 180.28 2dax h THR 129 N -1.24 0.42 0.00 0.00 1.35 -1.17 0.76 112.91 113.03 2dax h THR 129 Ca -0.09 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.66 2dax h THR 129 Cb 0.68 0.59 -0.02 0.00 -1.73 0.00 0.00 68.15 67.67 2dax h THR 129 CO 0.15 0.00 -0.59 -0.33 -0.25 0.00 0.00 175.52 174.50 2dax h GLU 130 N 0.00 0.00 0.00 4.72 5.08 -0.93 -2.63 114.58 120.82 2dax h GLU 130 Ca 0.28 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 2dax h GLU 130 Cb 1.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 2dax h GLU 130 CO -0.00 0.47 -1.19 1.87 -1.00 0.00 0.00 179.01 179.16 2dax n TRP 131 N -3.18 0.85 -0.07 4.33 -0.00 0.23 -4.34 117.44 115.26 2dax n TRP 131 Ca 0.01 0.25 -0.06 0.00 -0.00 0.00 0.00 57.50 57.70 2dax n TRP 131 Cb 0.74 -0.92 -0.04 0.00 -0.00 0.00 0.00 31.31 31.09 2dax n TRP 131 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2dax h VAL 132 N 0.00 0.38 -1.26 5.87 2.07 -0.62 -2.63 116.25 120.06 2dax h VAL 132 Ca -0.02 -1.34 0.40 0.00 0.82 0.00 0.00 66.70 66.55 2dax h VAL 132 Cb 1.08 0.78 -0.09 0.00 -1.52 0.00 0.00 31.29 31.54 2dax h VAL 132 CO 0.01 0.13 0.86 -2.11 0.02 0.00 0.00 177.57 176.47 2dax n ARG 133 N -4.67 -0.02 -0.01 1.57 1.85 -0.99 0.35 116.66 114.74 2dax n ARG 133 Ca -0.07 0.91 -0.01 0.00 -1.00 0.00 0.00 57.85 57.68 2dax n ARG 133 Cb 0.23 -1.92 -0.00 0.00 -1.05 0.00 0.00 32.46 29.72 2dax n ARG 133 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2dax n GLU 134 N -3.92 0.09 -0.30 2.89 4.07 -1.26 -4.32 120.64 117.91 2dax n GLU 134 Ca 0.33 0.27 -0.02 0.00 -0.06 0.00 0.00 57.16 57.68 2dax n GLU 134 Cb 1.36 -0.91 0.04 0.00 -0.06 0.00 0.00 31.44 31.87 2dax n GLU 134 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2dax h HIS 135 N -0.20 -0.88 -0.12 4.31 3.86 -0.89 -2.14 115.15 119.09 2dax h HIS 135 Ca 0.00 0.09 0.01 0.00 -1.16 0.00 0.00 60.37 59.31 2dax h HIS 135 Cb 0.12 0.51 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 2dax h HIS 135 CO -0.05 -0.39 -0.07 0.00 0.86 0.00 0.00 177.93 178.28 2dax n ALA 136 N -3.33 -0.07 -0.25 2.45 0.00 0.15 0.15 120.51 119.60 2dax n ALA 136 Ca 0.08 0.10 0.24 0.00 0.00 0.00 0.00 53.44 53.87 2dax n ALA 136 Cb 0.39 0.29 0.44 0.00 0.00 0.00 0.00 19.45 20.57 2dax n ALA 136 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dax n SER 137 N -3.08 0.23 0.21 0.00 2.88 -0.81 0.56 113.62 113.62 2dax n SER 137 Ca 0.00 1.16 -0.13 0.00 -1.33 0.00 0.00 58.87 58.57 2dax n SER 137 Cb 0.03 -0.57 -0.07 0.00 -0.75 0.00 0.00 64.21 62.85 2dax n SER 137 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2dax h GLY 138 N 0.00 -0.59 1.21 0.46 0.00 0.13 -2.96 103.07 101.32 2dax h GLY 138 Ca 0.62 0.22 0.01 0.00 0.00 0.00 0.00 47.33 48.18 2dax h GLY 138 CO -0.51 -0.21 0.39 -0.97 0.00 0.00 0.00 176.54 175.23 2dax h TYR 139 N -0.95 0.00 -2.09 5.60 0.05 0.54 -3.03 116.97 117.09 2dax h TYR 139 Ca -0.06 0.00 -0.45 0.00 0.05 0.00 0.00 58.73 58.27 2dax h TYR 139 Cb 0.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.30 2dax h TYR 139 CO 0.02 0.00 -0.32 0.08 -1.05 0.00 0.00 178.16 176.89 2dax s VAL 140 N -4.13 4.44 -1.04 -2.88 1.01 -0.70 -4.42 120.40 112.68 2dax s VAL 140 Ca -0.03 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 2dax s VAL 140 Cb 0.09 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2dax s VAL 140 CO 0.28 -0.25 0.88 -1.20 0.00 0.00 0.00 175.10 174.81 2dax n SER 141 N -1.65 -3.07 -4.39 3.32 7.64 -1.26 -2.67 113.62 111.54 2dax n SER 141 Ca -0.03 -0.50 -0.38 0.00 1.01 0.00 0.00 58.87 58.98 2dax n SER 141 Cb 0.58 -4.35 -0.07 0.00 -1.01 0.00 0.00 64.21 59.35 2dax n SER 141 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2dax n ARG 142 N -3.81 -1.37 -3.96 1.43 0.63 -1.26 -0.38 116.66 107.94 2dax n ARG 142 Ca -0.17 0.18 -0.27 0.00 -0.92 0.00 0.00 57.85 56.67 2dax n ARG 142 Cb 0.62 -4.48 -0.08 0.00 0.45 0.00 0.00 32.46 28.97 2dax n ARG 142 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2dax n ASP 143 N -2.64 0.17 -3.75 6.15 -0.08 -1.09 -4.89 116.55 110.42 2dax n ASP 143 Ca -0.03 -1.02 -0.16 0.00 -1.51 0.00 0.00 54.79 52.07 2dax n ASP 143 Cb 0.54 -1.28 -0.16 0.00 2.34 0.00 0.00 41.12 42.56 2dax n ASP 143 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2dax s THR 144 N -3.77 -0.07 -0.07 5.18 -4.23 0.48 -5.06 115.64 108.10 2dax s THR 144 Ca 0.18 0.26 -0.12 0.00 -1.18 0.00 0.00 61.69 60.83 2dax s THR 144 Cb -0.11 -0.12 -0.05 0.00 1.34 0.00 0.00 72.50 73.57 2dax s THR 144 CO 0.81 0.11 0.29 -0.55 -0.54 0.00 0.00 174.62 174.74 2dax s SER 145 N 1.34 6.61 0.22 3.99 0.15 -1.26 -4.89 113.70 119.85 2dax s SER 145 Ca -0.06 0.72 -0.31 0.00 0.70 0.00 0.00 55.95 57.01 2dax s SER 145 Cb -0.13 -2.17 -0.10 0.00 -1.71 0.00 0.00 66.02 61.91 2dax s SER 145 CO -0.03 0.33 1.48 -0.55 1.20 0.00 0.00 173.24 175.66 2dax s SER 146 N -0.86 6.63 0.42 5.45 0.15 -1.26 -5.02 113.70 119.22 2dax s SER 146 Ca 0.20 2.64 0.08 0.00 0.70 0.00 0.00 55.95 59.56 2dax s SER 146 Cb -0.14 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 2dax s SER 146 CO 0.09 -0.74 0.52 -0.94 1.20 0.00 0.00 173.24 173.36 2dax s SER 147 N 0.65 5.51 0.00 5.45 1.04 -1.26 -4.96 113.70 120.13 2dax s SER 147 Ca 0.63 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.56 2dax s SER 147 Cb -0.42 -0.64 0.00 0.00 0.10 0.00 0.00 66.02 65.05 2dax s SER 147 CO 0.39 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.49 2dax n GLY 148 N -1.77 0.64 3.56 7.32 0.00 -1.26 -4.87 105.19 108.80 2dax n GLY 148 Ca 0.07 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.04 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 0.00 2.59 -0.08 1.61 0.04 -1.26 -4.80 135.00 133.10 2dax s PRO 149 Ca 0.00 0.14 -0.21 0.00 0.04 0.00 0.00 61.00 60.97 2dax s PRO 149 Cb 0.00 -4.74 -0.29 0.00 0.04 0.00 0.00 34.50 29.51 2dax s PRO 149 CO 0.00 -3.07 0.74 1.03 0.04 0.00 0.00 177.00 175.75 2dax h SER 150 N 13.07 0.36 -0.20 6.66 0.87 -1.93 -3.35 113.55 129.03 2dax h SER 150 Ca -0.07 -0.91 0.05 0.00 -1.23 0.00 0.00 61.79 59.63 2dax h SER 150 Cb 1.08 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.86 2dax h SER 150 CO 1.21 1.42 -0.21 -1.28 -0.53 0.00 0.00 176.83 177.44 2dax h SER 151 N -0.46 -0.67 0.00 6.23 0.87 -2.03 -3.53 113.55 113.96 2dax h SER 151 Ca -0.18 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2dax h SER 151 Cb 1.58 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 63.86 2dax h SER 151 CO 0.09 -0.26 0.00 0.61 -0.53 0.00 0.00 176.83 176.74