#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dax n SER 2 N 0.00 -4.05 -4.24 1.61 7.64 -1.26 -4.92 113.62 108.40 2dax n SER 2 Ca 0.00 0.54 -0.39 0.00 1.01 0.00 0.00 58.87 60.04 2dax n SER 2 Cb 0.00 -0.85 -0.11 0.00 -1.01 0.00 0.00 64.21 62.24 2dax n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dax s SER 3 N -1.03 5.47 0.00 6.43 1.04 -1.26 -5.02 113.70 119.34 2dax s SER 3 Ca 0.54 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 55.48 2dax s SER 3 Cb -0.42 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2dax s SER 3 CO 0.69 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 175.05 2dax n GLY 4 N 4.83 2.72 3.74 7.32 0.00 -1.26 -5.13 105.19 117.41 2dax n GLY 4 Ca -0.10 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 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 3.31 -0.13 1.61 2.88 -1.26 -4.91 113.62 115.12 2dax n SER 5 Ca 0.00 1.21 -0.09 0.00 -1.33 0.00 0.00 58.87 58.67 2dax n SER 5 Cb 0.00 -1.55 -0.01 0.00 -0.75 0.00 0.00 64.21 61.90 2dax n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dax h SER 6 N 2.86 0.51 -5.75 -3.46 0.87 -1.99 -3.45 113.55 103.14 2dax h SER 6 Ca -0.48 -0.11 -0.32 0.00 -1.23 0.00 0.00 61.79 59.64 2dax h SER 6 Cb 1.26 -0.13 0.15 0.00 -0.44 0.00 0.00 62.40 63.24 2dax h SER 6 CO 0.64 0.48 -0.88 0.61 -0.53 0.00 0.00 176.83 177.15 2dax n GLY 7 N -0.91 -1.03 0.11 5.77 0.00 -1.26 -4.94 105.19 102.93 2dax n GLY 7 Ca 0.00 0.50 -0.16 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.42 0.19 -0.08 1.61 4.11 -2.02 -3.38 114.58 113.60 2dax h GLU 8 Ca -0.63 -0.33 0.04 0.00 0.07 0.00 0.00 59.36 58.51 2dax h GLU 8 Cb 1.33 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.65 2dax h GLU 8 CO 0.46 1.00 -0.34 0.37 0.07 0.00 0.00 179.01 180.57 2dax h GLN 9 N 0.05 -0.44 -1.23 1.06 5.75 -1.95 -0.72 115.11 117.64 2dax h GLN 9 Ca -0.29 0.03 0.39 0.00 -0.15 0.00 0.00 58.65 58.64 2dax h GLN 9 Cb 2.01 0.10 -0.09 0.00 1.07 0.00 0.00 27.48 30.58 2dax h GLN 9 CO 0.13 -0.29 0.84 0.00 -2.65 0.00 0.00 178.83 176.86 2dax n ALA 10 N -2.83 1.20 -0.04 3.38 0.00 -1.26 0.17 120.51 121.13 2dax n ALA 10 Ca -0.04 0.59 -0.13 0.00 0.00 0.00 0.00 53.44 53.86 2dax n ALA 10 Cb 0.34 -0.83 -0.11 0.00 0.00 0.00 0.00 19.45 18.85 2dax n ALA 10 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2dax h GLU 11 N 0.00 -0.01 -0.76 0.00 5.08 -1.36 -3.16 114.58 114.37 2dax h GLU 11 Ca 0.68 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 59.28 2dax h GLU 11 Cb 2.45 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 31.56 2dax h GLU 11 CO -0.21 0.75 0.12 0.00 -1.00 0.00 0.00 179.01 178.67 2dax n ALA 12 N -2.52 0.49 -0.04 3.43 0.00 0.44 0.14 120.51 122.46 2dax n ALA 12 Ca -0.09 0.81 -0.14 0.00 0.00 0.00 0.00 53.44 54.01 2dax n ALA 12 Cb 0.37 -0.64 -0.09 0.00 0.00 0.00 0.00 19.45 19.09 2dax n ALA 12 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2dax h GLN 13 N 0.00 0.29 0.65 0.00 4.20 -1.62 -3.28 115.11 115.35 2dax h GLN 13 Ca 0.51 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.99 2dax h GLN 13 Cb 1.16 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.97 2dax h GLN 13 CO -0.68 0.80 -0.35 1.25 -0.67 0.00 0.00 178.83 179.18 2dax h LEU 14 N -0.17 -0.86 -0.74 1.46 5.85 0.12 -2.41 115.31 118.56 2dax h LEU 14 Ca -0.00 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.86 2dax h LEU 14 Cb 0.80 0.24 -0.11 0.00 0.37 0.00 0.00 40.66 41.96 2dax h LEU 14 CO 0.04 -0.57 -0.32 0.00 -0.34 0.00 0.00 178.44 177.25 2dax n ALA 15 N -2.54 -0.17 0.50 1.25 0.00 0.12 -0.35 120.51 119.32 2dax n ALA 15 Ca -0.13 0.72 -0.19 0.00 0.00 0.00 0.00 53.44 53.83 2dax n ALA 15 Cb 0.39 -0.28 -0.09 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.22 -0.86 0.00 4.57 -1.59 -2.60 114.58 112.87 2dax h GLU 16 Ca 0.23 0.08 0.16 0.00 -1.18 0.00 0.00 59.36 58.65 2dax h GLU 16 Cb 0.42 0.28 -0.16 0.00 -0.16 0.00 0.00 28.75 29.13 2dax h GLU 16 CO -0.73 -0.82 -0.28 -0.07 -1.18 0.00 0.00 179.01 175.94 2dax h LEU 17 N -1.29 -1.01 -0.88 1.64 3.38 -0.36 0.69 115.31 117.47 2dax h LEU 17 Ca -0.13 0.27 0.14 0.00 0.09 0.00 0.00 57.88 58.25 2dax h LEU 17 Cb 0.97 0.60 -0.09 0.00 0.09 0.00 0.00 40.66 42.23 2dax h LEU 17 CO 0.21 -0.29 0.49 -0.78 0.09 0.00 0.00 178.44 178.16 2dax h ASP 18 N -0.03 0.63 0.40 -0.43 3.58 -0.60 -1.85 116.42 118.12 2dax h ASP 18 Ca 0.38 0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.89 2dax h ASP 18 Cb 0.62 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.64 2dax h ASP 18 CO -0.89 0.29 -0.19 0.25 -2.88 0.00 0.00 179.24 175.81 2dax h LEU 19 N 0.71 -0.45 -0.85 2.28 5.85 0.64 -3.28 115.31 120.22 2dax h LEU 19 Ca 0.47 -0.12 0.11 0.00 0.84 0.00 0.00 57.88 59.18 2dax h LEU 19 Cb 0.62 0.12 -0.13 0.00 0.37 0.00 0.00 40.66 41.64 2dax h LEU 19 CO -0.33 -0.03 -0.48 -0.07 -0.34 0.00 0.00 178.44 177.18 2dax h LEU 20 N -0.97 -1.73 -0.99 2.25 3.38 -0.47 0.56 115.31 117.34 2dax h LEU 20 Ca -0.05 0.30 0.36 0.00 0.09 0.00 0.00 57.88 58.57 2dax h LEU 20 Cb 0.54 0.81 -0.17 0.00 0.09 0.00 0.00 40.66 41.93 2dax h LEU 20 CO 0.09 -0.29 0.41 0.00 0.09 0.00 0.00 178.44 178.74 2dax h ALA 21 N 0.78 1.86 0.07 1.53 0.00 -1.43 0.24 119.26 122.32 2dax h ALA 21 Ca 0.22 0.27 -0.13 0.00 0.00 0.00 0.00 54.91 55.27 2dax h ALA 21 Cb 0.52 0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.68 2dax h ALA 21 CO -0.87 -0.78 -0.55 0.77 0.00 0.00 0.00 179.25 177.83 2dax h SER 22 N 0.07 0.36 -1.05 0.00 0.02 -0.09 -3.30 113.55 109.57 2dax h SER 22 Ca 0.76 -0.89 0.33 0.00 -0.84 0.00 0.00 61.79 61.14 2dax h SER 22 Cb 1.85 -0.12 -0.14 0.00 0.14 0.00 0.00 62.40 64.14 2dax h SER 22 CO -0.77 1.22 0.62 0.24 -1.14 0.00 0.00 176.83 177.00 2dax h MET 23 N -0.44 0.30 -3.20 3.45 2.07 0.23 -2.67 114.93 114.66 2dax h MET 23 Ca -0.09 -0.02 -0.73 0.00 -2.07 0.00 0.00 59.70 56.80 2dax h MET 23 Cb 1.37 -0.07 -0.34 0.00 -1.87 0.00 0.00 31.60 30.70 2dax h MET 23 CO 0.10 0.20 0.10 1.19 1.07 0.00 0.00 176.91 179.57 2dax n PHE 24 N -4.96 4.10 0.25 -0.22 3.01 -0.60 -4.85 117.46 114.19 2dax n PHE 24 Ca 0.32 -3.87 0.13 0.00 1.01 0.00 0.00 57.45 55.04 2dax n PHE 24 Cb 1.03 -1.21 0.60 0.00 -0.01 0.00 0.00 39.48 39.88 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 5.85 0.00 -4.80 -1.08 0.13 -1.65 -3.41 132.00 127.05 2dax h PRO 25 Ca 0.18 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.78 2dax h PRO 25 Cb 0.78 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.01 2dax h PRO 25 CO 0.96 0.13 -0.54 0.41 -0.23 0.00 0.00 178.00 178.72 2dax n GLY 26 N -0.05 -1.68 0.32 1.56 0.00 -1.26 -4.81 105.19 99.27 2dax n GLY 26 Ca -0.00 0.17 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 0.61 0.97 -0.96 1.61 4.81 -1.98 -3.15 114.58 116.50 2dax h GLU 27 Ca -0.25 -0.06 -0.45 0.00 -0.13 0.00 0.00 59.36 58.48 2dax h GLU 27 Cb 1.15 -0.22 -0.41 0.00 0.63 0.00 0.00 28.75 29.90 2dax h GLU 27 CO 0.43 0.64 -0.95 0.09 -0.73 0.00 0.00 179.01 178.49 2dax n ASN 28 N -4.59 3.27 -0.08 1.04 3.02 -1.26 -4.86 115.26 111.80 2dax n ASN 28 Ca 0.11 -3.11 -0.09 0.00 -0.03 0.00 0.00 54.58 51.47 2dax n ASN 28 Cb 0.13 -0.45 -0.04 0.00 -0.61 0.00 0.00 39.78 38.81 2dax n ASN 28 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2dax h GLU 29 N 2.59 0.00 -6.59 3.52 4.39 -1.85 -3.46 114.58 113.18 2dax h GLU 29 Ca 0.12 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.14 2dax h GLU 29 Cb 1.22 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.65 2dax h GLU 29 CO 0.59 0.25 -0.80 -1.17 -1.16 0.00 0.00 179.01 176.72 2dax s LEU 30 N -8.15 2.62 -0.07 1.33 0.20 -1.26 -0.39 118.68 112.95 2dax s LEU 30 Ca -0.18 -0.44 -0.03 0.00 0.69 0.00 0.00 54.13 54.18 2dax s LEU 30 Cb 0.03 -1.52 0.04 0.00 -0.43 0.00 0.00 46.19 44.31 2dax s LEU 30 CO 0.31 0.25 0.10 -0.63 -0.29 0.00 0.00 176.35 176.09 2dax s ILE 31 N -0.95 -0.17 -0.70 6.68 1.09 -0.46 -4.99 121.20 121.69 2dax s ILE 31 Ca 0.15 0.33 -0.18 0.00 -1.10 0.00 0.00 60.65 59.85 2dax s ILE 31 Cb -0.10 -0.26 0.12 0.00 -1.06 0.00 0.00 42.46 41.16 2dax s ILE 31 CO 0.06 0.12 0.82 -0.69 -0.10 0.00 0.00 174.94 175.15 2dax s VAL 32 N 2.22 4.88 0.12 2.92 1.01 -1.26 -1.23 120.40 129.06 2dax s VAL 32 Ca 0.04 -1.29 -0.24 0.00 0.00 0.00 0.00 61.98 60.49 2dax s VAL 32 Cb -0.12 -4.56 -0.06 0.00 0.00 0.00 0.00 36.38 31.63 2dax s VAL 32 CO -0.05 -1.22 1.67 0.78 0.00 0.00 0.00 175.10 176.28 2dax h ASN 33 N 8.93 -0.47 -1.88 3.32 4.21 -1.92 -3.30 115.58 124.47 2dax h ASN 33 Ca -0.14 0.07 -0.68 0.00 1.21 0.00 0.00 56.30 56.76 2dax h ASN 33 Cb 1.07 0.20 -0.15 0.00 -1.12 0.00 0.00 38.32 38.32 2dax h ASN 33 CO 1.06 -0.22 1.26 -0.62 -1.29 0.00 0.00 177.43 177.62 2dax s ASP 34 N -4.99 6.73 0.03 5.81 -1.08 -1.09 -4.83 116.67 117.24 2dax s ASP 34 Ca -0.15 -2.18 -0.23 0.00 -0.52 0.00 0.00 52.55 49.47 2dax s ASP 34 Cb 0.09 -2.46 -0.16 0.00 -1.46 0.00 0.00 42.92 38.93 2dax s ASP 34 CO 0.67 -1.10 1.43 1.56 0.52 0.00 0.00 175.17 178.24 2dax h GLN 35 N 8.52 0.11 -0.58 4.34 1.08 -1.90 -3.17 115.11 123.52 2dax h GLN 35 Ca 0.24 -0.04 0.10 0.00 -1.45 0.00 0.00 58.65 57.50 2dax h GLN 35 Cb 0.97 -0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 28.31 2dax h GLN 35 CO 1.25 0.42 0.14 1.25 -0.95 0.00 0.00 178.83 180.94 2dax h LEU 36 N -0.20 0.05 -0.86 1.46 5.85 -1.94 -1.52 115.31 118.14 2dax h LEU 36 Ca 0.02 0.10 0.29 0.00 0.84 0.00 0.00 57.88 59.13 2dax h LEU 36 Cb 0.37 0.13 -0.16 0.00 0.37 0.00 0.00 40.66 41.37 2dax h LEU 36 CO 0.00 0.04 0.20 0.00 -0.34 0.00 0.00 178.44 178.34 2dax n ALA 37 N -2.55 0.62 0.04 1.25 0.00 -1.20 -0.47 120.51 118.21 2dax n ALA 37 Ca 0.08 0.91 -0.06 0.00 0.00 0.00 0.00 53.44 54.37 2dax n ALA 37 Cb 0.30 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 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 0.32 -0.94 0.00 2.07 -1.41 -3.10 116.25 113.20 2dax h VAL 38 Ca 0.61 -1.02 0.25 0.00 0.82 0.00 0.00 66.70 67.37 2dax h VAL 38 Cb 1.43 0.57 -0.17 0.00 -1.52 0.00 0.00 31.29 31.60 2dax h VAL 38 CO -0.75 0.10 0.06 0.00 0.02 0.00 0.00 177.57 176.99 2dax h ALA 39 N -0.83 1.14 -0.61 1.67 0.00 -0.71 1.02 119.26 120.94 2dax h ALA 39 Ca -0.02 0.31 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 2dax h ALA 39 Cb 0.32 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2dax h ALA 39 CO 0.04 -0.54 0.25 0.93 0.00 0.00 0.00 179.25 179.92 2dax h GLU 40 N 0.05 0.89 -0.85 0.00 5.08 -0.88 -2.30 114.58 116.57 2dax h GLU 40 Ca 0.57 -0.14 0.11 0.00 -1.00 0.00 0.00 59.36 58.90 2dax h GLU 40 Cb 1.16 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.19 2dax h GLU 40 CO -0.85 0.73 0.55 1.25 -1.00 0.00 0.00 179.01 179.69 2dax h LEU 41 N 0.88 0.71 0.14 1.33 5.85 0.12 -1.59 115.31 122.75 2dax h LEU 41 Ca 0.21 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 2dax h LEU 41 Cb 0.17 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2dax h LEU 41 CO -0.02 0.40 -0.07 0.11 -0.34 0.00 0.00 178.44 178.52 2dax h LYS 42 N 0.77 -0.18 -1.02 1.25 6.56 -1.08 -3.10 116.57 119.76 2dax h LYS 42 Ca 0.40 0.01 0.29 0.00 -1.06 0.00 0.00 60.65 60.29 2dax h LYS 42 Cb 0.51 0.04 -0.13 0.00 -0.57 0.00 0.00 32.23 32.08 2dax h LYS 42 CO -0.17 0.26 0.61 0.22 -2.06 0.00 0.00 179.45 178.31 2dax h ASP 43 N -0.87 0.57 0.28 0.86 3.58 -1.14 0.22 116.42 119.92 2dax h ASP 43 Ca -0.02 0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 2dax h ASP 43 Cb 0.53 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.66 2dax h ASP 43 CO 0.03 -0.00 -0.13 0.00 -2.88 0.00 0.00 179.24 176.26 2dax h ILE 45 N -0.47 1.08 -0.34 0.00 2.04 -0.93 0.61 117.51 119.50 2dax h ILE 45 Ca -0.04 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.55 2dax h ILE 45 Cb 0.35 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 2dax h ILE 45 CO 0.06 0.08 0.15 -0.33 0.00 0.00 0.00 178.15 178.11 2dax h GLU 46 N -0.16 0.30 0.00 2.37 5.08 -0.66 -1.26 114.58 120.26 2dax h GLU 46 Ca -0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2dax h GLU 46 Cb 0.15 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2dax h GLU 46 CO 0.00 0.20 -0.15 0.87 -1.00 0.00 0.00 179.01 178.93 2dax h LYS 47 N 0.31 0.00 -5.88 2.33 1.57 -0.46 -3.47 116.57 110.97 2dax h LYS 47 Ca 0.15 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.54 2dax h LYS 47 Cb 0.09 0.00 0.11 0.00 0.08 0.00 0.00 32.23 32.51 2dax h LYS 47 CO -0.13 0.15 -0.73 1.63 -0.57 0.00 0.00 179.45 179.80 2dax n LYS 48 N -3.51 -6.90 0.00 3.15 5.02 0.20 -4.88 118.16 111.24 2dax n LYS 48 Ca -0.01 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 2dax n LYS 48 Cb 0.31 -5.75 0.00 0.00 -0.02 0.00 0.00 35.03 29.57 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 -4.62 0.00 -3.66 -0.18 5.66 -1.18 -4.72 114.28 105.58 2dax n THR 49 Ca -0.11 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.68 2dax n THR 49 Cb 0.60 -0.35 0.04 0.00 -1.55 0.00 0.00 70.33 69.07 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 -1.38 -4.96 -0.24 1.09 2.81 -1.25 -4.86 117.12 108.33 2dax n MET 50 Ca 0.00 0.65 0.04 0.00 -1.81 0.00 0.00 57.70 56.57 2dax n MET 50 Cb 0.23 -5.24 0.13 0.00 -0.71 0.00 0.00 33.22 27.64 2dax n MET 50 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 2dax h GLU 51 N -1.86 0.09 0.00 0.03 4.11 -1.97 -3.46 114.58 111.52 2dax h GLU 51 Ca -0.61 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.81 2dax h GLU 51 Cb 1.36 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2dax h GLU 51 CO 0.55 0.06 0.00 0.41 0.07 0.00 0.00 179.01 180.10 2dax n GLY 52 N -1.41 2.49 3.66 1.06 0.00 -1.26 -5.10 105.19 104.62 2dax n GLY 52 Ca 0.12 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 2dax n GLY 52 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dax n ARG 53 N 0.00 1.41 -0.06 1.61 1.85 -1.26 -4.94 116.66 115.27 2dax n ARG 53 Ca 0.00 0.52 -0.08 0.00 -1.00 0.00 0.00 57.85 57.29 2dax n ARG 53 Cb 0.00 -2.26 -0.07 0.00 -1.05 0.00 0.00 32.46 29.08 2dax n ARG 53 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2dax n SER 54 N -0.23 2.67 -4.38 2.89 2.88 -1.26 -4.90 113.62 111.29 2dax n SER 54 Ca 0.10 -0.04 -0.45 0.00 -1.33 0.00 0.00 58.87 57.15 2dax n SER 54 Cb 0.43 0.21 -0.07 0.00 -0.75 0.00 0.00 64.21 64.04 2dax n SER 54 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dax s SER 55 N -4.89 6.17 0.76 -3.46 0.01 -1.26 -5.05 113.70 105.98 2dax s SER 55 Ca -0.13 -1.36 -0.16 0.00 1.31 0.00 0.00 55.95 55.62 2dax s SER 55 Cb 0.04 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 64.02 2dax s SER 55 CO 0.37 -0.78 0.45 0.29 0.41 0.00 0.00 173.24 173.98 2dax n LYS 56 N 5.50 0.19 -2.69 12.44 5.02 -1.26 -4.48 118.16 132.88 2dax n LYS 56 Ca -0.11 0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 2dax n LYS 56 Cb 0.43 -1.79 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 2dax n LYS 56 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2dax s VAL 57 N -1.99 4.10 -0.28 -0.18 1.01 -1.20 -4.78 120.40 117.07 2dax s VAL 57 Ca 0.63 0.39 -0.04 0.00 0.00 0.00 0.00 61.98 62.97 2dax s VAL 57 Cb -0.32 -4.71 0.03 0.00 0.00 0.00 0.00 36.38 31.37 2dax s VAL 57 CO 0.61 -1.42 0.01 -0.47 0.00 0.00 0.00 175.10 173.82 2dax s TYR 58 N 4.71 3.15 -0.06 5.22 5.04 -1.26 -1.42 117.35 132.73 2dax s TYR 58 Ca 0.34 -1.44 0.00 0.00 -2.44 0.00 0.00 57.07 53.53 2dax s TYR 58 Cb -0.11 -2.14 0.02 0.00 0.35 0.00 0.00 41.96 40.08 2dax s TYR 58 CO 0.19 -0.70 -0.04 -0.59 -1.34 0.00 0.00 175.55 173.06 2dax s PHE 59 N 1.37 0.86 0.02 4.97 -0.71 -1.13 -2.67 117.98 120.69 2dax s PHE 59 Ca -0.00 -0.28 -0.20 0.00 -1.04 0.00 0.00 56.93 55.41 2dax s PHE 59 Cb -0.18 -0.78 -0.06 0.00 -1.21 0.00 0.00 43.02 40.79 2dax s PHE 59 CO -0.01 -0.26 0.57 0.99 -1.34 0.00 0.00 175.22 175.17 2dax s THR 60 N 1.22 4.85 -0.15 -4.49 2.01 -0.36 -3.49 115.64 115.23 2dax s THR 60 Ca -0.06 1.21 0.01 0.00 0.31 0.00 0.00 61.69 63.16 2dax s THR 60 Cb -0.14 -3.91 0.00 0.00 0.01 0.00 0.00 72.50 68.47 2dax s THR 60 CO -0.02 0.48 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.59 2dax s ILE 61 N -0.58 2.50 -0.36 1.82 1.01 -1.20 -1.35 121.20 123.03 2dax s ILE 61 Ca 0.30 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 59.97 2dax s ILE 61 Cb -0.19 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 2dax s ILE 61 CO 0.18 0.52 0.36 0.20 0.00 0.00 0.00 174.94 176.19 2dax s ASN 62 N 0.83 6.16 -0.28 3.58 0.01 0.47 -2.31 114.94 123.40 2dax s ASN 62 Ca -0.05 -0.35 0.02 0.00 -0.71 0.00 0.00 52.86 51.76 2dax s ASN 62 Cb -0.15 -2.19 0.06 0.00 0.41 0.00 0.00 41.25 39.38 2dax s ASN 62 CO -0.01 -0.37 -0.05 -0.04 -1.51 0.00 0.00 177.10 175.12 2dax s MET 63 N 1.98 2.21 -0.01 -0.60 -1.94 -1.08 -4.72 119.30 115.15 2dax s MET 63 Ca 0.11 -1.40 -0.30 0.00 -1.71 0.00 0.00 55.69 52.39 2dax s MET 63 Cb -0.17 -3.03 -0.03 0.00 2.01 0.00 0.00 34.83 33.62 2dax s MET 63 CO 0.12 -0.64 0.98 -0.80 -0.01 0.00 0.00 175.02 174.67 2dax s ASN 64 N 1.15 7.36 0.03 3.03 -0.87 -1.26 -3.43 114.94 120.94 2dax s ASN 64 Ca -0.05 1.65 -0.10 0.00 -1.57 0.00 0.00 52.86 52.79 2dax s ASN 64 Cb -0.20 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.47 2dax s ASN 64 CO -0.04 -0.28 0.20 -0.76 -2.57 0.00 0.00 177.10 173.65 2dax s LEU 65 N 1.11 1.35 -0.25 0.60 1.43 -1.21 -5.00 118.68 116.71 2dax s LEU 65 Ca 0.52 -0.31 -0.23 0.00 -1.03 0.00 0.00 54.13 53.07 2dax s LEU 65 Cb -0.21 0.94 -0.01 0.00 0.03 0.00 0.00 46.19 46.95 2dax s LEU 65 CO 0.27 -0.52 0.78 -1.81 0.23 0.00 0.00 176.35 175.29 2dax s ASP 66 N -1.93 6.75 -0.21 2.29 1.01 -1.26 -2.18 116.67 121.14 2dax s ASP 66 Ca -0.07 0.91 -0.20 0.00 0.71 0.00 0.00 52.55 53.90 2dax s ASP 66 Cb -0.02 -2.41 -0.18 0.00 1.01 0.00 0.00 42.92 41.32 2dax s ASP 66 CO -0.02 -0.49 0.14 1.33 0.21 0.00 0.00 175.17 176.33 2dax n VAL 67 N 5.27 1.53 -3.84 -1.27 0.24 -0.96 -4.85 118.33 114.46 2dax n VAL 67 Ca 0.04 -0.05 0.01 0.00 -2.04 0.00 0.00 64.34 62.30 2dax n VAL 67 Cb 0.48 -2.04 0.01 0.00 -1.47 0.00 0.00 33.84 30.81 2dax n VAL 67 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2dax s SER 68 N -6.86 -0.03 -1.34 -1.34 0.01 -1.24 -4.97 113.70 97.93 2dax s SER 68 Ca -0.29 -0.30 -0.08 0.00 1.31 0.00 0.00 55.95 56.58 2dax s SER 68 Cb 0.07 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2dax s SER 68 CO 0.56 -0.49 0.49 0.47 0.41 0.00 0.00 173.24 174.68 2dax n ASP 69 N -0.89 -1.73 -1.94 2.44 8.00 -1.26 0.05 116.55 121.22 2dax n ASP 69 Ca -0.02 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.41 2dax n ASP 69 Cb 0.60 -2.85 0.00 0.00 -0.02 0.00 0.00 41.12 38.85 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 -4.44 -2.30 -4.42 -1.24 -0.58 -1.26 -4.84 120.64 101.57 2dax n GLU 70 Ca -0.24 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.21 2dax n GLU 70 Cb 0.65 -3.98 -0.07 0.00 -0.57 0.00 0.00 31.44 27.47 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 -3.81 2.15 0.28 3.49 -0.14 0.11 -5.07 119.74 116.75 2dax s LYS 71 Ca 0.00 -2.11 0.01 0.00 -1.36 0.00 0.00 55.97 52.51 2dax s LYS 71 Cb 0.00 -1.77 -0.00 0.00 -1.68 0.00 0.00 37.83 34.37 2dax s LYS 71 CO 0.00 -0.25 0.34 0.00 -0.76 0.00 0.00 175.35 174.68 2dax n MET 72 N -1.25 0.48 -4.07 1.68 0.00 -1.26 -2.25 117.12 110.45 2dax n MET 72 Ca -0.08 -2.43 -0.14 0.00 0.00 0.00 0.00 57.70 55.06 2dax n MET 72 Cb 0.66 2.20 -0.04 0.00 0.00 0.00 0.00 33.22 36.04 2dax n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2dax s ALA 73 N -2.75 0.60 -0.30 3.17 0.00 -0.93 -4.87 121.76 116.69 2dax s ALA 73 Ca 0.27 -1.42 -0.00 0.00 0.00 0.00 0.00 51.96 50.80 2dax s ALA 73 Cb 0.00 1.12 0.06 0.00 0.00 0.00 0.00 23.12 24.30 2dax s ALA 73 CO 0.19 -0.80 -0.00 1.41 0.00 0.00 0.00 175.76 176.55 2dax s MET 74 N -3.10 2.27 -0.04 0.00 0.00 -1.26 -3.33 119.30 113.84 2dax s MET 74 Ca 0.29 -1.39 -0.17 0.00 0.00 0.00 0.00 55.69 54.42 2dax s MET 74 Cb -0.01 -3.15 -0.05 0.00 0.00 0.00 0.00 34.83 31.62 2dax s MET 74 CO 0.19 -0.68 0.47 -0.06 0.00 0.00 0.00 175.02 174.94 2dax s PHE 75 N 1.18 3.65 -0.36 4.11 0.40 -1.22 -4.87 117.98 120.87 2dax s PHE 75 Ca -0.04 1.00 -0.04 0.00 -0.60 0.00 0.00 56.93 57.26 2dax s PHE 75 Cb -0.20 -2.44 0.07 0.00 0.51 0.00 0.00 43.02 40.96 2dax s PHE 75 CO -0.03 0.43 0.12 -1.12 0.70 0.00 0.00 175.22 175.32 2dax s SER 76 N -0.36 5.17 -0.84 1.36 0.01 -1.14 -2.63 113.70 115.28 2dax s SER 76 Ca 0.26 -1.57 -0.19 0.00 1.31 0.00 0.00 55.95 55.75 2dax s SER 76 Cb -0.17 -1.81 0.12 0.00 0.21 0.00 0.00 66.02 64.38 2dax s SER 76 CO 0.13 -0.41 1.04 -0.76 0.41 0.00 0.00 173.24 173.65 2dax s LEU 77 N 1.25 5.07 -0.66 2.44 1.02 -0.98 -2.71 118.68 124.10 2dax s LEU 77 Ca 0.01 -1.84 -0.27 0.00 0.02 0.00 0.00 54.13 52.06 2dax s LEU 77 Cb -0.21 -2.38 0.01 0.00 0.02 0.00 0.00 46.19 43.63 2dax s LEU 77 CO -0.01 -1.11 1.51 0.00 0.02 0.00 0.00 176.35 176.76 2dax s ALA 78 N 2.78 2.56 0.06 4.21 0.00 -0.87 -3.27 121.76 127.22 2dax s ALA 78 Ca 0.28 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.26 2dax s ALA 78 Cb -0.09 -4.25 -0.04 0.00 0.00 0.00 0.00 23.12 18.74 2dax s ALA 78 CO -0.04 -3.44 0.13 0.00 0.00 0.00 0.00 175.76 172.40 2dax s ILE 80 N -1.40 -0.11 -0.42 0.00 1.01 -1.25 -2.83 121.20 116.20 2dax s ILE 80 Ca 0.30 -0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.56 2dax s ILE 80 Cb -0.12 -0.54 0.03 0.00 0.01 0.00 0.00 42.46 41.83 2dax s ILE 80 CO 0.23 -0.23 1.11 -0.76 0.00 0.00 0.00 174.94 175.29 2dax s LEU 81 N 2.16 3.74 0.00 2.97 1.43 -0.51 -2.26 118.68 126.21 2dax s LEU 81 Ca 0.03 0.68 -0.19 0.00 -1.03 0.00 0.00 54.13 53.62 2dax s LEU 81 Cb -0.16 -3.55 0.28 0.00 0.03 0.00 0.00 46.19 42.80 2dax s LEU 81 CO -0.09 -1.12 0.99 -0.81 0.23 0.00 0.00 176.35 175.56 2dax n PRO 82 N 7.49 -2.96 -0.58 1.29 -0.04 -1.26 -3.27 135.00 135.66 2dax n PRO 82 Ca 0.12 -1.59 -0.08 0.00 -0.04 0.00 0.00 63.50 61.92 2dax n PRO 82 Cb 0.48 -1.49 0.13 0.00 -0.04 0.00 0.00 33.50 32.58 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 -4.65 1.43 0.00 0.54 3.72 -1.26 -3.95 117.46 113.29 2dax n PHE 83 Ca 0.14 -0.95 0.00 0.00 -0.05 0.00 0.00 57.45 56.59 2dax n PHE 83 Cb 0.53 -0.52 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 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 -0.15 0.00 -0.57 -1.08 5.02 -1.26 -5.07 118.16 115.05 2dax n LYS 84 Ca 0.26 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.36 2dax n LYS 84 Cb 1.00 -0.67 -0.01 0.00 -0.02 0.00 0.00 35.03 35.33 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 -2.32 -0.34 0.59 2.13 9.36 -1.25 -1.28 117.16 124.05 2dax n TYR 85 Ca 0.00 0.37 0.07 0.00 3.32 0.00 0.00 57.90 61.66 2dax n TYR 85 Cb 0.31 -0.80 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 0.44 0.10 0.00 2.98 -0.04 -1.26 -4.78 135.00 132.44 2dax n PRO 86 Ca 0.07 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 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 -3.04 0.55 0.00 -0.40 -3.97 120.51 112.25 2dax n ALA 87 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 2dax n ALA 87 Cb 0.14 0.22 -0.13 0.00 0.00 0.00 0.00 19.45 19.69 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 -2.47 3.65 0.81 0.00 -7.23 -1.26 -4.51 120.40 109.39 2dax s VAL 88 Ca 0.00 -0.44 -0.16 0.00 -1.81 0.00 0.00 61.98 59.57 2dax s VAL 88 Cb 0.00 -2.60 -0.05 0.00 0.56 0.00 0.00 36.38 34.29 2dax s VAL 88 CO 0.00 0.49 0.16 0.18 -0.31 0.00 0.00 175.10 175.62 2dax n LEU 89 N 3.68 -1.27 0.00 1.32 4.77 -1.26 -3.90 117.00 120.34 2dax n LEU 89 Ca -0.18 0.45 -0.30 0.00 -0.03 0.00 0.00 56.01 55.96 2dax n LEU 89 Cb 0.52 -1.08 0.25 0.00 -2.33 0.00 0.00 43.42 40.78 2dax n LEU 89 CO 0.32 -4.00 0.61 -0.81 -1.33 0.00 0.00 177.39 172.18 2dax n PRO 90 N -0.09 -3.17 -3.07 3.23 -0.04 -1.26 -4.83 135.00 125.77 2dax n PRO 90 Ca 0.07 -1.76 -0.34 0.00 -0.04 0.00 0.00 63.50 61.43 2dax n PRO 90 Cb 0.52 -1.65 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 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 -4.87 3.72 -2.24 0.54 -0.58 -0.96 -4.90 120.64 111.35 2dax n GLU 91 Ca 0.15 -4.69 -0.42 0.00 -0.42 0.00 0.00 57.16 51.78 2dax n GLU 91 Cb 0.59 -2.36 -0.03 0.00 -0.57 0.00 0.00 31.44 29.08 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 -3.34 3.72 -0.30 -3.67 1.01 -1.25 -3.83 121.20 113.54 2dax s ILE 92 Ca 0.39 1.12 0.02 0.00 0.00 0.00 0.00 60.65 62.19 2dax s ILE 92 Cb 0.16 -3.72 0.09 0.00 0.01 0.00 0.00 42.46 38.99 2dax s ILE 92 CO -0.03 0.01 0.01 -0.89 0.00 0.00 0.00 174.94 174.04 2dax s THR 93 N 2.22 1.87 0.08 2.92 2.01 0.15 -4.93 115.64 119.96 2dax s THR 93 Ca 0.63 -1.84 -0.30 0.00 0.31 0.00 0.00 61.69 60.49 2dax s THR 93 Cb -0.31 -2.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 2dax s THR 93 CO 0.27 -0.42 1.09 -0.69 -0.69 0.00 0.00 174.62 174.18 2dax s VAL 94 N 1.16 4.28 0.01 3.82 1.01 -1.26 -2.05 120.40 127.37 2dax s VAL 94 Ca 0.04 1.74 0.03 0.00 0.00 0.00 0.00 61.98 63.78 2dax s VAL 94 Cb -0.19 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 2dax s VAL 94 CO -0.10 0.19 -0.08 -0.13 0.00 0.00 0.00 175.10 174.98 2dax s ARG 95 N 0.58 0.60 -0.29 2.72 1.81 -1.10 -4.91 118.95 118.36 2dax s ARG 95 Ca 0.53 -0.43 -0.15 0.00 -1.72 0.00 0.00 55.73 53.96 2dax s ARG 95 Cb -0.26 -0.54 0.12 0.00 -0.45 0.00 0.00 34.95 33.82 2dax s ARG 95 CO 0.30 0.14 0.83 0.45 -0.68 0.00 0.00 175.30 176.34 2dax s SER 96 N -0.62 -0.77 0.62 0.23 0.15 -1.26 -2.88 113.70 109.17 2dax s SER 96 Ca -0.00 1.18 0.29 0.00 0.70 0.00 0.00 55.95 58.11 2dax s SER 96 Cb -0.05 1.49 1.50 0.00 -1.71 0.00 0.00 66.02 67.25 2dax s SER 96 CO 0.00 -0.18 1.89 -0.37 1.20 0.00 0.00 173.24 175.78 2dax h VAL 97 N 5.21 0.24 0.04 4.45 -1.51 -2.01 -1.00 116.25 121.67 2dax h VAL 97 Ca -0.26 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.21 2dax h VAL 97 Cb 1.18 0.62 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 2dax h VAL 97 CO 0.15 0.00 -0.02 -0.07 -1.23 0.00 0.00 177.57 176.40 2dax h LEU 98 N 0.00 -0.05 -9.77 4.19 3.38 -1.98 -3.44 115.31 107.64 2dax h LEU 98 Ca 0.14 -0.59 -0.53 0.00 0.09 0.00 0.00 57.88 56.99 2dax h LEU 98 Cb 1.01 0.01 0.07 0.00 0.09 0.00 0.00 40.66 41.84 2dax h LEU 98 CO -0.00 0.61 0.80 -0.76 0.09 0.00 0.00 178.44 179.18 2dax s LEU 99 N -8.85 4.37 0.80 1.67 1.43 -0.38 -4.95 118.68 112.78 2dax s LEU 99 Ca -0.16 2.77 -0.11 0.00 -1.03 0.00 0.00 54.13 55.60 2dax s LEU 99 Cb -0.00 -3.63 0.10 0.00 0.03 0.00 0.00 46.19 42.69 2dax s LEU 99 CO 0.61 -0.77 1.15 -0.55 0.23 0.00 0.00 176.35 177.01 2dax s SER 100 N 0.39 4.32 0.26 2.29 0.15 -1.26 -4.74 113.70 115.10 2dax s SER 100 Ca 0.60 0.52 -0.03 0.00 0.70 0.00 0.00 55.95 57.75 2dax s SER 100 Cb -0.44 -0.96 0.44 0.00 -1.71 0.00 0.00 66.02 63.35 2dax s SER 100 CO 0.45 -1.97 1.83 0.03 1.20 0.00 0.00 173.24 174.78 2dax h ARG 101 N -1.00 0.89 0.14 5.44 3.08 -1.96 -0.30 114.38 120.66 2dax h ARG 101 Ca -0.45 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 2dax h ARG 101 Cb 1.30 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2dax h ARG 101 CO 0.57 0.59 -0.07 0.77 -1.07 0.00 0.00 179.97 180.76 2dax h SER 102 N 0.91 -0.16 -0.81 7.04 0.02 -2.01 -3.23 113.55 115.32 2dax h SER 102 Ca 0.43 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.47 2dax h SER 102 Cb 0.36 0.04 -0.11 0.00 0.14 0.00 0.00 62.40 62.83 2dax h SER 102 CO -0.24 0.09 -0.55 1.56 -1.14 0.00 0.00 176.83 176.54 2dax h GLN 103 N -0.59 -0.12 -0.97 3.45 1.08 -1.93 0.61 115.11 116.64 2dax h GLN 103 Ca -0.02 0.01 0.17 0.00 -1.45 0.00 0.00 58.65 57.36 2dax h GLN 103 Cb 0.14 0.03 -0.17 0.00 -0.05 0.00 0.00 27.48 27.43 2dax h GLN 103 CO 0.03 -0.08 -0.34 0.37 -0.95 0.00 0.00 178.83 177.86 2dax h GLN 104 N -0.13 -0.01 -0.30 1.46 5.75 -1.20 0.71 115.11 121.39 2dax h GLN 104 Ca 0.15 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.71 2dax h GLN 104 Cb 0.49 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.96 2dax h GLN 104 CO -0.83 -0.00 -0.47 1.15 -2.65 0.00 0.00 178.83 176.02 2dax h THR 105 N -0.01 0.07 -0.67 2.39 2.02 -0.89 -0.54 112.91 115.29 2dax h THR 105 Ca 0.39 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.68 2dax h THR 105 Cb 0.64 0.07 -0.09 0.00 -1.74 0.00 0.00 68.15 67.04 2dax h THR 105 CO -0.99 0.00 0.24 -0.61 0.37 0.00 0.00 175.52 174.53 2dax h GLN 106 N -0.42 0.38 0.34 6.66 5.75 -0.68 -0.38 115.11 126.76 2dax h GLN 106 Ca 0.09 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.57 2dax h GLN 106 Cb 0.61 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.05 2dax h GLN 106 CO -0.52 0.25 -0.45 1.25 -2.65 0.00 0.00 178.83 176.71 2dax h LEU 107 N 0.40 -1.28 0.51 -2.39 6.46 -0.05 -1.66 115.31 117.29 2dax h LEU 107 Ca 0.36 0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 58.22 2dax h LEU 107 Cb 0.50 0.44 -0.02 0.00 -0.73 0.00 0.00 40.66 40.86 2dax h LEU 107 CO -0.37 -0.58 -0.49 0.78 -0.62 0.00 0.00 178.44 177.16 2dax h ASN 108 N -0.84 -1.34 -0.99 1.25 2.35 -0.68 -0.79 115.58 114.54 2dax h ASN 108 Ca -0.03 0.10 0.36 0.00 -0.55 0.00 0.00 56.30 56.19 2dax h ASN 108 Cb 0.77 0.44 -0.18 0.00 0.05 0.00 0.00 38.32 39.40 2dax h ASN 108 CO -0.13 -0.65 0.36 0.74 -1.65 0.00 0.00 177.43 176.09 2dax h THR 109 N -0.99 0.03 0.31 2.81 2.02 -1.02 0.15 112.91 116.22 2dax h THR 109 Ca -0.06 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 2dax h THR 109 Cb 0.85 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2dax h THR 109 CO -0.05 0.00 -0.15 0.44 0.37 0.00 0.00 175.52 176.14 2dax h ASP 110 N 0.02 -0.35 -0.80 4.18 5.19 -0.71 -2.69 116.42 121.26 2dax h ASP 110 Ca 0.75 -0.19 0.12 0.00 -0.62 0.00 0.00 57.03 57.09 2dax h ASP 110 Cb 1.84 0.09 -0.13 0.00 0.18 0.00 0.00 39.33 41.31 2dax h ASP 110 CO -0.81 0.07 -0.42 0.25 -3.12 0.00 0.00 179.24 175.21 2dax h LEU 111 N -0.86 -1.49 -0.65 1.55 5.85 0.72 0.28 115.31 120.71 2dax h LEU 111 Ca -0.04 0.28 0.06 0.00 0.84 0.00 0.00 57.88 59.02 2dax h LEU 111 Cb 0.52 0.73 -0.06 0.00 0.37 0.00 0.00 40.66 42.22 2dax h LEU 111 CO 0.07 -0.30 0.34 0.74 -0.34 0.00 0.00 178.44 178.96 2dax h THR 112 N -0.09 0.93 -0.29 1.05 2.02 -1.37 -2.42 112.91 112.74 2dax h THR 112 Ca 0.26 -0.22 0.05 0.00 0.77 0.00 0.00 66.41 67.27 2dax h THR 112 Cb 0.56 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.17 2dax h THR 112 CO -0.84 0.11 -0.02 0.00 0.37 0.00 0.00 175.52 175.14 2dax h ALA 113 N 1.36 0.24 -0.58 6.16 0.00 -0.17 -2.01 119.26 124.25 2dax h ALA 113 Ca 0.30 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.35 2dax h ALA 113 Cb 0.22 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 2dax h ALA 113 CO -0.20 -0.43 -0.34 0.34 0.00 0.00 0.00 179.25 178.62 2dax n PHE 114 N -5.18 -0.25 0.33 0.00 7.35 -0.24 -1.49 117.46 117.97 2dax n PHE 114 Ca -0.00 0.72 -0.18 0.00 -0.76 0.00 0.00 57.45 57.24 2dax n PHE 114 Cb 0.16 -0.54 -0.09 0.00 0.35 0.00 0.00 39.48 39.36 2dax n PHE 114 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2dax h LEU 115 N 0.00 -0.95 -1.00 -2.13 3.38 -1.56 0.51 115.31 113.56 2dax h LEU 115 Ca 0.09 0.06 0.35 0.00 0.09 0.00 0.00 57.88 58.47 2dax h LEU 115 Cb 0.24 0.28 -0.11 0.00 0.09 0.00 0.00 40.66 41.16 2dax h LEU 115 CO -0.54 -0.58 0.64 0.00 0.09 0.00 0.00 178.44 178.04 2dax n GLN 116 N -5.51 -0.03 -0.04 1.13 1.13 -0.61 0.69 117.38 114.14 2dax n GLN 116 Ca -0.13 0.94 -0.04 0.00 -1.94 0.00 0.00 57.00 55.84 2dax n GLN 116 Cb 0.40 -1.84 -0.01 0.00 0.11 0.00 0.00 30.24 28.89 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 -4.23 0.24 0.12 -1.09 4.81 -0.56 -4.40 118.16 113.06 2dax n LYS 117 Ca 0.30 0.21 -0.13 0.00 -0.87 0.00 0.00 58.31 57.82 2dax n LYS 117 Cb 1.15 -1.05 -0.08 0.00 0.02 0.00 0.00 35.03 35.07 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 -0.49 -1.19 -3.70 5.64 3.86 0.77 -3.39 115.15 116.65 2dax h HIS 118 Ca 0.00 0.03 -0.67 0.00 -1.16 0.00 0.00 60.37 58.57 2dax h HIS 118 Cb 0.39 0.50 -0.36 0.00 1.06 0.00 0.00 27.41 29.00 2dax h HIS 118 CO -0.17 -0.48 -0.80 0.00 0.86 0.00 0.00 177.93 177.34 2dax s HIS 120 N 1.16 1.67 0.00 0.00 5.04 -1.22 -3.52 115.29 118.42 2dax s HIS 120 Ca -0.06 -1.87 0.00 0.00 -1.54 0.00 0.00 55.06 51.59 2dax s HIS 120 Cb -0.19 -1.68 0.00 0.00 0.04 0.00 0.00 32.58 30.75 2dax s HIS 120 CO -0.06 -0.85 0.00 0.41 -2.34 0.00 0.00 174.74 171.90 2dax n GLY 121 N 4.50 1.48 3.78 1.59 0.00 -1.26 -5.11 105.19 110.18 2dax n GLY 121 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 -0.13 -0.70 1.61 1.01 -1.25 -4.83 116.67 110.37 2dax s ASP 122 Ca 0.00 -0.81 -0.15 0.00 0.71 0.00 0.00 52.55 52.30 2dax s ASP 122 Cb 0.00 0.72 0.18 0.00 1.01 0.00 0.00 42.92 44.83 2dax s ASP 122 CO 0.00 -1.37 0.66 0.68 0.21 0.00 0.00 175.17 175.35 2dax s VAL 123 N -3.61 5.43 -0.40 -1.27 -7.23 -1.26 -4.76 120.40 107.30 2dax s VAL 123 Ca 0.15 -2.04 0.12 0.00 -1.81 0.00 0.00 61.98 58.40 2dax s VAL 123 Cb -0.05 -4.42 0.38 0.00 0.56 0.00 0.00 36.38 32.86 2dax s VAL 123 CO 0.09 -0.96 0.86 0.00 -0.31 0.00 0.00 175.10 174.77 2dax h ILE 125 N 1.99 1.04 -1.00 0.00 1.08 -2.00 -1.91 117.51 116.70 2dax h ILE 125 Ca 0.07 -0.28 0.16 0.00 -0.39 0.00 0.00 64.86 64.42 2dax h ILE 125 Cb 0.94 0.16 -0.10 0.00 -3.07 0.00 0.00 36.82 34.75 2dax h ILE 125 CO 0.59 0.15 0.62 -0.07 -0.69 0.00 0.00 178.15 178.75 2dax h LEU 126 N 0.81 0.85 -1.49 1.44 3.38 -2.00 0.95 115.31 119.26 2dax h LEU 126 Ca 0.30 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.46 2dax h LEU 126 Cb 0.10 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2dax h LEU 126 CO -0.14 0.38 0.48 0.78 0.09 0.00 0.00 178.44 180.03 2dax h ASN 127 N 0.87 0.51 0.14 -0.43 4.21 -1.75 -0.82 115.58 118.30 2dax h ASN 127 Ca 0.54 0.02 -0.01 0.00 1.21 0.00 0.00 56.30 58.06 2dax h ASN 127 Cb 0.71 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.82 2dax h ASN 127 CO -0.33 0.29 -0.07 0.00 -1.29 0.00 0.00 177.43 176.03 2dax h ALA 128 N 1.64 -0.19 -0.44 -0.83 0.00 -0.83 -2.93 119.26 115.68 2dax h ALA 128 Ca 0.35 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2dax h ALA 128 Cb 0.59 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2dax h ALA 128 CO -0.12 -0.41 0.29 1.79 0.00 0.00 0.00 179.25 180.80 2dax h THR 129 N -0.57 1.03 0.00 0.00 1.35 -1.21 0.73 112.91 114.24 2dax h THR 129 Ca -0.02 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 2dax h THR 129 Cb 0.44 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 2dax h THR 129 CO 0.03 0.08 0.00 -0.33 -0.25 0.00 0.00 175.52 175.06 2dax h GLU 130 N 0.47 0.00 0.00 4.72 5.08 -1.10 -0.97 114.58 122.78 2dax h GLU 130 Ca 0.18 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.36 2dax h GLU 130 Cb 0.14 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2dax h GLU 130 CO -0.04 0.00 -1.47 1.87 -1.00 0.00 0.00 179.01 178.36 2dax n TRP 131 N -2.72 0.94 -0.08 4.33 -0.00 0.21 -4.30 117.44 115.82 2dax n TRP 131 Ca 0.01 0.31 -0.15 0.00 -0.00 0.00 0.00 57.50 57.67 2dax n TRP 131 Cb 0.26 -1.08 -0.10 0.00 -0.00 0.00 0.00 31.31 30.39 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 1.09 -1.65 5.87 2.07 -1.02 -2.67 116.25 119.93 2dax h VAL 132 Ca -0.18 -2.02 0.51 0.00 0.82 0.00 0.00 66.70 65.82 2dax h VAL 132 Cb 1.62 2.27 -0.09 0.00 -1.52 0.00 0.00 31.29 33.56 2dax h VAL 132 CO 0.05 0.37 1.16 -2.11 0.02 0.00 0.00 177.57 177.05 2dax n ARG 133 N -4.56 -0.01 -0.02 1.57 1.85 -0.41 0.53 116.66 115.62 2dax n ARG 133 Ca -0.18 1.07 -0.02 0.00 -1.00 0.00 0.00 57.85 57.72 2dax n ARG 133 Cb 0.50 -2.32 -0.01 0.00 -1.05 0.00 0.00 32.46 29.58 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 -4.06 0.12 -0.29 2.89 4.07 -1.25 -4.44 120.64 117.68 2dax n GLU 134 Ca 0.40 0.20 0.02 0.00 -0.06 0.00 0.00 57.16 57.72 2dax n GLU 134 Cb 1.74 -0.87 0.09 0.00 -0.06 0.00 0.00 31.44 32.34 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 -0.24 -0.53 -0.00 4.31 3.86 -1.04 -2.33 115.15 119.18 2dax h HIS 135 Ca 0.00 0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2dax h HIS 135 Cb 0.17 0.36 -0.00 0.00 1.06 0.00 0.00 27.41 29.00 2dax h HIS 135 CO -0.07 -0.36 -0.00 0.00 0.86 0.00 0.00 177.93 178.35 2dax n ALA 136 N -3.34 -0.00 -0.39 2.45 0.00 0.19 0.19 120.51 119.60 2dax n ALA 136 Ca 0.11 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.86 2dax n ALA 136 Cb 0.41 0.35 0.58 0.00 0.00 0.00 0.00 19.45 20.79 2dax n ALA 136 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2dax h SER 137 N 0.00 0.35 0.33 0.00 0.02 -1.62 0.75 113.55 113.37 2dax h SER 137 Ca 0.00 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2dax h SER 137 Cb 0.00 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2dax h SER 137 CO -0.00 -0.13 -0.24 1.23 -1.14 0.00 0.00 176.83 176.54 2dax h GLY 138 N 0.19 -0.59 0.93 -3.77 0.00 0.21 -3.04 103.07 97.00 2dax h GLY 138 Ca 0.76 0.27 0.01 0.00 0.00 0.00 0.00 47.33 48.37 2dax h GLY 138 CO -0.45 -0.23 0.10 -0.97 0.00 0.00 0.00 176.54 174.98 2dax h TYR 139 N -0.57 0.19 -0.87 5.60 0.05 -0.22 -3.40 116.97 117.74 2dax h TYR 139 Ca -0.03 0.01 -0.56 0.00 0.05 0.00 0.00 58.73 58.20 2dax h TYR 139 Cb 0.49 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.14 2dax h TYR 139 CO -0.13 0.11 1.59 0.28 -1.05 0.00 0.00 178.16 178.96 2dax n VAL 140 N -5.00 0.04 -3.57 -2.88 0.31 -0.81 -4.88 118.33 101.54 2dax n VAL 140 Ca -0.03 -0.33 -0.24 0.00 -0.01 0.00 0.00 64.34 63.72 2dax n VAL 140 Cb 0.05 -1.60 -0.16 0.00 -0.91 0.00 0.00 33.84 31.22 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 9.28 2.22 -0.11 4.52 0.01 -1.26 -4.95 113.70 123.41 2dax s SER 141 Ca 1.15 -0.60 -0.21 0.00 1.31 0.00 0.00 55.95 57.60 2dax s SER 141 Cb -0.80 -0.08 -0.27 0.00 0.21 0.00 0.00 66.02 65.08 2dax s SER 141 CO 0.43 -0.36 0.66 0.03 0.41 0.00 0.00 173.24 174.41 2dax h ARG 142 N 8.39 0.17 -6.17 12.44 3.08 -1.97 -3.47 114.38 126.85 2dax h ARG 142 Ca -0.16 -0.30 -0.47 0.00 0.07 0.00 0.00 59.98 59.12 2dax h ARG 142 Cb 1.13 0.11 -0.29 0.00 0.08 0.00 0.00 29.97 31.00 2dax h ARG 142 CO 0.31 1.14 -0.68 -3.47 -1.07 0.00 0.00 179.97 176.19 2dax n ASP 143 N -4.21 -1.36 -2.05 7.04 2.03 -1.26 -4.73 116.55 112.01 2dax n ASP 143 Ca -0.19 -0.94 -0.23 0.00 0.52 0.00 0.00 54.79 53.95 2dax n ASP 143 Cb 0.75 -1.20 0.11 0.00 -0.72 0.00 0.00 41.12 40.06 2dax n ASP 143 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2dax n THR 144 N -3.18 2.98 -4.02 5.18 5.66 -1.26 -4.90 114.28 114.74 2dax n THR 144 Ca 0.09 -1.88 -0.11 0.00 -3.05 0.00 0.00 64.05 59.09 2dax n THR 144 Cb 0.34 -0.83 -0.11 0.00 -1.55 0.00 0.00 70.33 68.18 2dax n THR 144 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2dax s SER 145 N -0.92 0.55 -0.70 1.09 1.04 -1.26 -5.05 113.70 108.45 2dax s SER 145 Ca 0.48 -0.53 -0.02 0.00 0.48 0.00 0.00 55.95 56.37 2dax s SER 145 Cb 0.39 0.07 0.44 0.00 0.10 0.00 0.00 66.02 67.02 2dax s SER 145 CO 0.05 -0.25 2.04 -0.24 0.98 0.00 0.00 173.24 175.82 2dax n SER 146 N 1.53 7.69 -3.59 7.02 2.88 -1.26 -4.93 113.62 122.95 2dax n SER 146 Ca -0.23 -3.80 -0.10 0.00 -1.33 0.00 0.00 58.87 53.41 2dax n SER 146 Cb 0.55 -0.99 -0.02 0.00 -0.75 0.00 0.00 64.21 63.00 2dax n SER 146 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dax s SER 147 N -1.72 -0.44 0.00 -3.46 1.04 -1.26 -5.11 113.70 102.74 2dax s SER 147 Ca 0.63 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.82 2dax s SER 147 Cb 0.50 0.65 0.00 0.00 0.10 0.00 0.00 66.02 67.27 2dax s SER 147 CO -0.07 -1.11 0.08 0.61 0.98 0.00 0.00 173.24 173.72 2dax n GLY 148 N -0.41 -0.14 3.69 7.32 0.00 -1.26 -4.83 105.19 109.56 2dax n GLY 148 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.86 4.26 0.01 1.61 0.04 -1.26 -5.02 135.00 133.78 2dax s PRO 149 Ca 0.00 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.03 2dax s PRO 149 Cb 0.00 -3.62 -0.01 0.00 0.04 0.00 0.00 34.50 30.92 2dax s PRO 149 CO 0.00 -0.62 0.04 -1.54 0.04 0.00 0.00 177.00 174.91 2dax s SER 150 N 2.07 0.12 -0.06 6.66 1.04 -1.26 -5.14 113.70 117.13 2dax s SER 150 Ca 0.66 -0.30 -0.03 0.00 0.48 0.00 0.00 55.95 56.75 2dax s SER 150 Cb -0.32 0.14 0.04 0.00 0.10 0.00 0.00 66.02 65.97 2dax s SER 150 CO 0.27 -0.27 0.13 -0.44 0.98 0.00 0.00 173.24 173.91 2dax s SER 151 N -1.18 -0.09 0.00 7.02 0.01 -1.26 -4.95 113.70 113.25 2dax s SER 151 Ca -0.13 0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.40 2dax s SER 151 Cb -0.08 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.32 2dax s SER 151 CO -0.00 -0.14 0.38 0.61 0.41 0.00 0.00 173.24 174.50