#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 -0.95 0.10 1.61 0.15 -1.26 -5.07 113.70 108.28 2dax s SER 2 Ca 0.00 1.52 -0.28 0.00 0.70 0.00 0.00 55.95 57.89 2dax s SER 2 Cb 0.00 1.39 -0.11 0.00 -1.71 0.00 0.00 66.02 65.60 2dax s SER 2 CO 0.00 -0.24 1.46 -1.28 1.20 0.00 0.00 173.24 174.38 2dax h SER 3 N 7.00 -1.43 -2.52 5.45 0.87 -2.12 -2.97 113.55 117.82 2dax h SER 3 Ca -0.30 0.17 -0.78 0.00 -1.23 0.00 0.00 61.79 59.65 2dax h SER 3 Cb 1.23 0.56 -0.29 0.00 -0.44 0.00 0.00 62.40 63.46 2dax h SER 3 CO 0.16 -0.40 0.74 0.61 -0.53 0.00 0.00 176.83 177.41 2dax n GLY 4 N -1.36 5.64 3.58 5.77 0.00 -1.26 -5.00 105.19 112.57 2dax n GLY 4 Ca -0.05 -2.64 -0.41 0.00 0.00 0.00 0.00 46.02 42.92 2dax n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dax s SER 5 N -1.74 5.52 -0.30 1.61 1.04 -1.13 -4.90 113.70 113.80 2dax s SER 5 Ca 0.36 1.21 -0.05 0.00 0.48 0.00 0.00 55.95 57.96 2dax s SER 5 Cb 0.14 -2.52 0.17 0.00 0.10 0.00 0.00 66.02 63.91 2dax s SER 5 CO -0.02 -2.02 0.66 -0.55 0.98 0.00 0.00 173.24 172.29 2dax s SER 6 N 7.61 -1.22 -0.49 7.02 0.15 -1.26 -5.11 113.70 120.40 2dax s SER 6 Ca 0.84 1.02 -0.33 0.00 0.70 0.00 0.00 55.95 58.17 2dax s SER 6 Cb -0.22 2.13 -0.13 0.00 -1.71 0.00 0.00 66.02 66.09 2dax s SER 6 CO 0.31 -0.23 2.32 0.61 1.20 0.00 0.00 173.24 177.44 2dax n GLY 7 N 5.42 0.23 0.08 9.45 0.00 -1.26 -4.77 105.19 114.34 2dax n GLY 7 Ca -0.05 0.93 0.12 0.00 0.00 0.00 0.00 46.02 47.02 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 13.47 0.00 -0.21 1.61 9.09 -1.99 -3.35 114.58 133.19 2dax h GLU 8 Ca -0.22 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.02 2dax h GLU 8 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 2dax h GLU 8 CO 1.11 0.00 -0.52 0.37 0.05 0.00 0.00 179.01 180.02 2dax h GLN 9 N 0.00 0.73 -0.33 1.06 4.15 -1.95 -2.14 115.11 116.63 2dax h GLN 9 Ca 0.00 -0.50 -0.03 0.00 0.77 0.00 0.00 58.65 58.89 2dax h GLN 9 Cb 0.81 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.55 2dax h GLN 9 CO 0.00 1.12 0.10 0.00 -1.93 0.00 0.00 178.83 178.12 2dax h ALA 10 N 0.60 1.55 -0.04 3.38 0.00 -1.92 -2.77 119.26 120.06 2dax h ALA 10 Ca -0.01 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 2dax h ALA 10 Cb 1.14 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.80 2dax h ALA 10 CO 0.11 0.34 -0.70 0.93 0.00 0.00 0.00 179.25 179.93 2dax h GLU 11 N 0.47 0.54 -0.95 0.00 5.08 -1.69 -3.12 114.58 114.92 2dax h GLU 11 Ca 0.11 -0.53 0.29 0.00 -1.00 0.00 0.00 59.36 58.23 2dax h GLU 11 Cb 0.16 0.14 -0.16 0.00 0.50 0.00 0.00 28.75 29.38 2dax h GLU 11 CO -0.01 1.16 0.22 0.00 -1.00 0.00 0.00 179.01 179.39 2dax h ALA 12 N 0.39 1.42 0.32 3.43 0.00 -1.09 0.17 119.26 123.91 2dax h ALA 12 Ca -0.08 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2dax h ALA 12 Cb 1.38 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.59 2dax h ALA 12 CO 0.14 -0.60 -0.15 1.96 0.00 0.00 0.00 179.25 180.59 2dax h GLN 13 N 0.10 -0.42 -0.74 0.00 4.20 -1.61 -3.31 115.11 113.33 2dax h GLN 13 Ca 0.63 0.03 0.14 0.00 0.06 0.00 0.00 58.65 59.51 2dax h GLN 13 Cb 1.39 0.09 -0.14 0.00 0.30 0.00 0.00 27.48 29.12 2dax h GLN 13 CO -0.78 -0.14 -0.24 1.25 -0.67 0.00 0.00 178.83 178.25 2dax h LEU 14 N -1.02 -0.86 -0.76 1.46 5.85 -1.16 -1.32 115.31 117.49 2dax h LEU 14 Ca -0.04 0.24 0.08 0.00 0.84 0.00 0.00 57.88 58.99 2dax h LEU 14 Cb 0.47 0.52 -0.10 0.00 0.37 0.00 0.00 40.66 41.92 2dax h LEU 14 CO 0.07 -0.27 -0.42 0.00 -0.34 0.00 0.00 178.44 177.48 2dax n ALA 15 N -3.26 -0.42 0.22 1.25 0.00 0.47 -0.65 120.51 118.13 2dax n ALA 15 Ca 0.09 0.67 -0.10 0.00 0.00 0.00 0.00 53.44 54.10 2dax n ALA 15 Cb 0.38 -0.15 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.61 -0.88 0.00 4.57 -1.36 -2.19 114.58 114.11 2dax h GLU 16 Ca 0.15 0.04 0.36 0.00 -1.18 0.00 0.00 59.36 58.73 2dax h GLU 16 Cb 0.34 0.14 -0.16 0.00 -0.16 0.00 0.00 28.75 28.91 2dax h GLU 16 CO -0.72 -0.41 0.44 1.28 -1.18 0.00 0.00 179.01 178.42 2dax n LEU 17 N -3.98 0.28 -0.03 1.64 4.77 -0.40 0.15 117.00 119.42 2dax n LEU 17 Ca -0.08 1.46 -0.12 0.00 -0.03 0.00 0.00 56.01 57.25 2dax n LEU 17 Cb 0.27 -0.70 -0.06 0.00 -2.33 0.00 0.00 43.42 40.59 2dax n LEU 17 CO 0.18 -1.63 0.77 -0.78 -1.33 0.00 0.00 177.39 174.60 2dax h ASP 18 N 0.00 0.20 0.48 -1.43 3.58 -0.48 -2.43 116.42 116.34 2dax h ASP 18 Ca 0.73 -0.26 -0.02 0.00 0.42 0.00 0.00 57.03 57.90 2dax h ASP 18 Cb 1.92 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.92 2dax h ASP 18 CO -0.69 0.41 -0.23 0.25 -2.88 0.00 0.00 179.24 176.10 2dax h LEU 19 N -0.02 -0.55 -0.10 2.28 5.85 0.20 -3.11 115.31 119.85 2dax h LEU 19 Ca 0.04 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.79 2dax h LEU 19 Cb 0.30 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 2dax h LEU 19 CO 0.00 -0.39 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.36 2dax h LEU 20 N -0.66 -0.92 -0.70 2.25 3.38 -1.12 -0.48 115.31 117.05 2dax h LEU 20 Ca -0.07 0.11 0.23 0.00 0.09 0.00 0.00 57.88 58.25 2dax h LEU 20 Cb 0.50 0.36 -0.13 0.00 0.09 0.00 0.00 40.66 41.49 2dax h LEU 20 CO 0.11 -0.24 0.16 0.00 0.09 0.00 0.00 178.44 178.55 2dax n ALA 21 N -2.82 0.50 -0.05 1.53 0.00 -0.92 0.19 120.51 118.95 2dax n ALA 21 Ca -0.03 0.74 -0.14 0.00 0.00 0.00 0.00 53.44 54.01 2dax n ALA 21 Cb 0.19 -0.62 -0.08 0.00 0.00 0.00 0.00 19.45 18.95 2dax n ALA 21 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2dax h SER 22 N 0.00 0.43 -0.85 0.00 0.02 -1.08 -3.16 113.55 108.90 2dax h SER 22 Ca 0.49 -0.54 0.08 0.00 -0.84 0.00 0.00 61.79 60.99 2dax h SER 22 Cb 1.15 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 63.51 2dax h SER 22 CO -0.61 0.88 0.55 0.24 -1.14 0.00 0.00 176.83 176.75 2dax h MET 23 N -0.02 0.85 -4.29 3.45 2.07 0.36 -3.34 114.93 114.02 2dax h MET 23 Ca 0.01 -0.05 -0.72 0.00 -2.07 0.00 0.00 59.70 56.86 2dax h MET 23 Cb 0.80 -0.19 -0.30 0.00 -1.87 0.00 0.00 31.60 30.04 2dax h MET 23 CO 0.05 0.56 -0.39 -0.06 1.07 0.00 0.00 176.91 178.14 2dax s PHE 24 N -5.79 3.44 0.05 -0.22 0.40 0.23 -4.95 117.98 111.14 2dax s PHE 24 Ca -0.11 -1.92 -0.19 0.00 -0.60 0.00 0.00 56.93 54.11 2dax s PHE 24 Cb 0.20 -3.49 -0.13 0.00 0.51 0.00 0.00 43.02 40.11 2dax s PHE 24 CO 0.79 -0.99 1.36 -1.00 0.70 0.00 0.00 175.22 176.08 2dax h PRO 25 N 8.40 0.42 0.00 0.24 0.13 -1.72 -3.44 132.00 136.03 2dax h PRO 25 Ca -0.20 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2dax h PRO 25 Cb 1.07 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2dax h PRO 25 CO 0.85 0.78 0.00 0.41 -0.23 0.00 0.00 178.00 179.81 2dax n GLY 26 N 0.18 -0.46 3.91 1.56 0.00 -1.26 -4.98 105.19 104.14 2dax n GLY 26 Ca -0.06 0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 2dax n GLY 26 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2dax n GLU 27 N 0.00 -0.91 -3.42 1.61 2.13 -1.26 0.23 120.64 119.02 2dax n GLU 27 Ca 0.00 0.08 -0.20 0.00 0.66 0.00 0.00 57.16 57.70 2dax n GLU 27 Cb 0.00 -2.99 0.07 0.00 0.27 0.00 0.00 31.44 28.79 2dax n GLU 27 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2dax n ASN 28 N -2.09 -5.02 -0.09 4.31 3.02 -1.26 -4.95 115.26 109.19 2dax n ASN 28 Ca -0.18 -0.49 -0.09 0.00 -0.03 0.00 0.00 54.58 53.79 2dax n ASN 28 Cb 0.50 -4.52 -0.03 0.00 -0.61 0.00 0.00 39.78 35.13 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 -4.32 0.50 -3.86 3.52 -0.58 0.64 -4.46 120.64 112.09 2dax n GLU 29 Ca -0.05 0.36 -0.14 0.00 -0.42 0.00 0.00 57.16 56.91 2dax n GLU 29 Cb 0.57 -1.56 -0.15 0.00 -0.57 0.00 0.00 31.44 29.74 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 -8.02 1.63 -0.03 -4.62 0.20 -1.26 0.35 118.68 106.93 2dax s LEU 30 Ca -0.24 0.01 0.01 0.00 0.69 0.00 0.00 54.13 54.60 2dax s LEU 30 Cb 0.04 -0.05 0.02 0.00 -0.43 0.00 0.00 46.19 45.76 2dax s LEU 30 CO 0.35 -0.05 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.69 2dax s ILE 31 N 0.43 0.47 -0.17 6.68 1.09 0.02 -4.87 121.20 124.84 2dax s ILE 31 Ca -0.04 -0.13 -0.03 0.00 -1.10 0.00 0.00 60.65 59.35 2dax s ILE 31 Cb -0.05 -0.48 -0.02 0.00 -1.06 0.00 0.00 42.46 40.85 2dax s ILE 31 CO -0.01 0.19 -0.06 0.54 -0.10 0.00 0.00 174.94 175.49 2dax s VAL 32 N 0.62 3.48 -0.09 2.92 0.11 -1.26 -0.09 120.40 126.08 2dax s VAL 32 Ca -0.08 -0.49 -0.13 0.00 -2.93 0.00 0.00 61.98 58.35 2dax s VAL 32 Cb -0.11 -2.53 -0.28 0.00 -1.53 0.00 0.00 36.38 31.93 2dax s VAL 32 CO -0.00 0.48 0.54 0.78 -3.33 0.00 0.00 175.10 173.56 2dax h ASN 33 N 7.21 0.44 -3.25 3.54 2.35 -1.84 -3.41 115.58 120.62 2dax h ASN 33 Ca -0.33 -0.89 -0.76 0.00 -0.55 0.00 0.00 56.30 53.77 2dax h ASN 33 Cb 1.19 -0.14 -0.23 0.00 0.05 0.00 0.00 38.32 39.18 2dax h ASN 33 CO 0.60 1.71 0.49 -1.81 -1.65 0.00 0.00 177.43 176.77 2dax s ASP 34 N -7.11 6.89 0.11 5.81 1.11 -0.98 -4.85 116.67 117.66 2dax s ASP 34 Ca -0.20 -2.77 -0.12 0.00 0.18 0.00 0.00 52.55 49.64 2dax s ASP 34 Cb 0.05 -2.28 -0.12 0.00 1.07 0.00 0.00 42.92 41.64 2dax s ASP 34 CO 0.79 -0.65 1.36 -0.61 1.18 0.00 0.00 175.17 177.24 2dax h GLN 35 N 7.72 0.84 -0.62 8.23 5.75 -1.87 -3.27 115.11 131.89 2dax h GLN 35 Ca 0.16 -0.60 0.12 0.00 -0.15 0.00 0.00 58.65 58.18 2dax h GLN 35 Cb 0.98 0.10 -0.12 0.00 1.07 0.00 0.00 27.48 29.51 2dax h GLN 35 CO 0.95 1.22 -0.27 -0.07 -2.65 0.00 0.00 178.83 178.01 2dax h LEU 36 N 0.61 -0.94 -0.88 -2.39 3.38 -1.97 0.33 115.31 113.44 2dax h LEU 36 Ca -0.01 0.22 0.25 0.00 0.09 0.00 0.00 57.88 58.42 2dax h LEU 36 Cb 1.26 0.51 -0.16 0.00 0.09 0.00 0.00 40.66 42.36 2dax h LEU 36 CO 0.14 -0.27 0.04 0.00 0.09 0.00 0.00 178.44 178.44 2dax n ALA 37 N -3.14 0.47 0.20 1.53 0.00 -1.23 0.14 120.51 118.48 2dax n ALA 37 Ca 0.06 0.95 -0.13 0.00 0.00 0.00 0.00 53.44 54.31 2dax n ALA 37 Cb 0.35 -0.70 -0.07 0.00 0.00 0.00 0.00 19.45 19.03 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 0.49 0.19 0.00 2.07 -1.11 -1.65 116.25 116.24 2dax h VAL 38 Ca 0.55 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2dax h VAL 38 Cb 1.15 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 2dax h VAL 38 CO -0.82 0.08 -0.47 0.00 0.02 0.00 0.00 177.57 176.38 2dax h ALA 39 N -0.52 -0.89 -0.96 1.67 0.00 -0.34 0.44 119.26 118.66 2dax h ALA 39 Ca -0.06 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 54.90 2dax h ALA 39 Cb 0.55 0.77 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 2dax h ALA 39 CO 0.09 -1.07 0.57 0.93 0.00 0.00 0.00 179.25 179.78 2dax h GLU 40 N -0.75 0.78 -0.67 0.00 4.39 -0.40 -0.20 114.58 117.73 2dax h GLU 40 Ca -0.00 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 2dax h GLU 40 Cb 0.74 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 2dax h GLU 40 CO -0.22 0.52 0.29 1.25 -1.16 0.00 0.00 179.01 179.68 2dax h LEU 41 N 0.80 0.90 0.59 1.33 5.85 -0.45 -2.59 115.31 121.74 2dax h LEU 41 Ca 0.52 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 59.05 2dax h LEU 41 Cb 0.69 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 41.49 2dax h LEU 41 CO -0.34 0.81 -0.28 0.11 -0.34 0.00 0.00 178.44 178.40 2dax h LYS 42 N 0.94 -0.77 -0.94 1.25 1.57 0.75 -3.02 116.57 116.34 2dax h LYS 42 Ca 0.23 0.05 0.28 0.00 -1.87 0.00 0.00 60.65 59.33 2dax h LYS 42 Cb 0.17 0.17 -0.15 0.00 0.08 0.00 0.00 32.23 32.51 2dax h LYS 42 CO -0.02 -0.46 0.40 0.22 -0.57 0.00 0.00 179.45 179.02 2dax h ASP 43 N -1.00 0.25 -0.68 0.86 3.58 -1.17 0.48 116.42 118.74 2dax h ASP 43 Ca -0.08 0.19 0.08 0.00 0.42 0.00 0.00 57.03 57.64 2dax h ASP 43 Cb 0.66 0.20 -0.07 0.00 1.72 0.00 0.00 39.33 41.85 2dax h ASP 43 CO 0.13 -0.14 0.35 0.00 -2.88 0.00 0.00 179.24 176.70 2dax h ILE 45 N 0.61 1.47 -0.90 0.00 2.04 -0.14 0.16 117.51 120.75 2dax h ILE 45 Ca 0.33 -1.83 0.14 0.00 1.00 0.00 0.00 64.86 64.50 2dax h ILE 45 Cb 0.31 2.65 -0.09 0.00 -0.74 0.00 0.00 36.82 38.95 2dax h ILE 45 CO -0.24 0.45 0.50 -0.33 0.00 0.00 0.00 178.15 178.53 2dax h GLU 46 N -0.86 0.71 -0.56 2.37 5.08 -0.42 0.44 114.58 121.34 2dax h GLU 46 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2dax h GLU 46 Cb 0.76 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2dax h GLU 46 CO 0.00 0.47 0.00 1.63 -1.00 0.00 0.00 179.01 180.11 2dax n LYS 47 N -4.79 2.23 -3.71 2.33 5.02 0.95 -4.89 118.16 115.31 2dax n LYS 47 Ca 0.18 -1.30 -0.27 0.00 -2.02 0.00 0.00 58.31 54.89 2dax n LYS 47 Cb 0.42 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 33.85 2dax n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2dax n LYS 48 N 0.39 -1.39 -3.91 1.97 5.02 0.15 -4.87 118.16 115.52 2dax n LYS 48 Ca 0.12 0.09 -0.27 0.00 -2.02 0.00 0.00 58.31 56.23 2dax n LYS 48 Cb 0.47 -4.29 -0.17 0.00 -0.02 0.00 0.00 35.03 31.02 2dax n LYS 48 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2dax s THR 49 N -2.70 1.06 -0.56 -0.18 -1.32 0.53 -4.94 115.64 107.53 2dax s THR 49 Ca 0.54 -0.37 -0.18 0.00 -1.21 0.00 0.00 61.69 60.47 2dax s THR 49 Cb -0.31 -1.11 0.10 0.00 -1.51 0.00 0.00 72.50 69.67 2dax s THR 49 CO 0.66 0.33 0.62 -0.04 -2.21 0.00 0.00 174.62 173.97 2dax s MET 50 N 1.69 3.03 -0.24 7.08 -1.94 -1.26 -4.42 119.30 123.23 2dax s MET 50 Ca 0.04 -1.39 -0.03 0.00 -1.71 0.00 0.00 55.69 52.61 2dax s MET 50 Cb -0.13 -4.25 -0.17 0.00 2.01 0.00 0.00 34.83 32.29 2dax s MET 50 CO -0.08 -1.41 -0.16 0.39 -0.01 0.00 0.00 175.02 173.74 2dax n GLU 51 N 5.94 0.65 0.00 2.03 -0.58 -1.26 -5.10 120.64 122.31 2dax n GLU 51 Ca -0.11 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 2dax n GLU 51 Cb 0.42 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 2dax n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dax n GLY 52 N 2.01 4.04 3.78 0.62 0.00 -1.26 -5.10 105.19 109.28 2dax n GLY 52 Ca -0.45 -1.16 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 2dax n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dax s ARG 53 N -5.47 4.47 -0.20 1.61 3.00 -1.26 -4.98 118.95 116.12 2dax s ARG 53 Ca 0.00 1.04 -0.01 0.00 0.00 0.00 0.00 55.73 56.76 2dax s ARG 53 Cb 0.00 -3.26 -0.12 0.00 0.00 0.00 0.00 34.95 31.57 2dax s ARG 53 CO 0.00 0.57 -0.19 0.45 0.00 0.00 0.00 175.30 176.12 2dax n SER 54 N 1.73 2.24 -4.57 0.23 2.88 -1.26 -4.91 113.62 109.96 2dax n SER 54 Ca -0.07 -0.02 -0.42 0.00 -1.33 0.00 0.00 58.87 57.04 2dax n SER 54 Cb 0.49 -0.38 -0.06 0.00 -0.75 0.00 0.00 64.21 63.52 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 -6.11 6.49 0.36 -3.46 0.01 -1.26 -5.03 113.70 104.70 2dax s SER 55 Ca -0.27 0.19 -0.28 0.00 1.31 0.00 0.00 55.95 56.90 2dax s SER 55 Cb 0.08 -2.38 -0.11 0.00 0.21 0.00 0.00 66.02 63.82 2dax s SER 55 CO 0.42 -0.75 1.42 -0.54 0.41 0.00 0.00 173.24 174.20 2dax s LYS 56 N 3.06 4.21 -0.69 12.44 1.02 -1.26 -4.43 119.74 134.09 2dax s LYS 56 Ca 0.29 2.43 -0.26 0.00 0.02 0.00 0.00 55.97 58.46 2dax s LYS 56 Cb -0.13 -3.01 -0.06 0.00 -0.52 0.00 0.00 37.83 34.11 2dax s LYS 56 CO 0.18 -0.40 2.13 0.08 -0.92 0.00 0.00 175.35 176.42 2dax s VAL 57 N -1.11 3.22 -0.35 3.17 1.01 -1.20 -4.85 120.40 120.29 2dax s VAL 57 Ca 0.51 -0.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.34 2dax s VAL 57 Cb -0.44 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 2dax s VAL 57 CO 0.59 -0.51 0.24 -0.47 0.00 0.00 0.00 175.10 174.95 2dax s TYR 58 N 11.28 3.23 -0.12 5.22 5.04 -1.26 -2.57 117.35 138.17 2dax s TYR 58 Ca 0.81 -0.31 -0.05 0.00 -2.44 0.00 0.00 57.07 55.07 2dax s TYR 58 Cb -0.12 -2.48 0.05 0.00 0.35 0.00 0.00 41.96 39.76 2dax s TYR 58 CO 0.14 -0.41 0.27 -0.59 -1.34 0.00 0.00 175.55 173.63 2dax s PHE 59 N 1.70 -0.39 0.09 4.97 -0.71 -0.99 -2.25 117.98 120.40 2dax s PHE 59 Ca 0.06 0.90 -0.05 0.00 -1.04 0.00 0.00 56.93 56.80 2dax s PHE 59 Cb -0.18 0.04 -0.05 0.00 -1.21 0.00 0.00 43.02 41.63 2dax s PHE 59 CO 0.10 -0.29 0.32 0.99 -1.34 0.00 0.00 175.22 175.00 2dax s THR 60 N 1.67 5.23 -0.12 -4.49 2.01 0.87 -2.39 115.64 118.42 2dax s THR 60 Ca -0.06 0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.00 2dax s THR 60 Cb -0.11 -3.61 0.01 0.00 0.01 0.00 0.00 72.50 68.80 2dax s THR 60 CO -0.09 0.16 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.17 2dax s ILE 61 N -1.52 1.86 -0.12 1.82 1.01 -0.92 -0.80 121.20 122.54 2dax s ILE 61 Ca 0.36 -0.87 -0.13 0.00 0.00 0.00 0.00 60.65 60.01 2dax s ILE 61 Cb -0.13 -1.65 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 2dax s ILE 61 CO 0.22 0.51 0.28 0.20 0.00 0.00 0.00 174.94 176.16 2dax s ASN 62 N 0.77 6.49 -0.19 3.58 0.01 0.15 -1.43 114.94 124.33 2dax s ASN 62 Ca -0.09 0.58 -0.04 0.00 -0.71 0.00 0.00 52.86 52.59 2dax s ASN 62 Cb -0.16 -2.17 0.09 0.00 0.41 0.00 0.00 41.25 39.42 2dax s ASN 62 CO 0.00 0.20 0.20 -0.04 -1.51 0.00 0.00 177.10 175.96 2dax s MET 63 N -0.09 0.17 -0.02 -0.60 -1.94 -1.17 -4.55 119.30 111.09 2dax s MET 63 Ca 0.17 0.20 -0.27 0.00 -1.71 0.00 0.00 55.69 54.08 2dax s MET 63 Cb -0.13 -1.20 -0.03 0.00 2.01 0.00 0.00 34.83 35.47 2dax s MET 63 CO 0.05 -0.63 0.86 0.54 -0.01 0.00 0.00 175.02 175.84 2dax s ASN 64 N 2.31 7.22 0.01 3.03 2.20 -1.26 -2.62 114.94 125.82 2dax s ASN 64 Ca 0.06 1.47 -0.04 0.00 -0.94 0.00 0.00 52.86 53.41 2dax s ASN 64 Cb -0.15 -2.51 -0.01 0.00 -2.00 0.00 0.00 41.25 36.58 2dax s ASN 64 CO -0.11 -0.19 0.06 -0.76 -2.94 0.00 0.00 177.10 173.16 2dax s LEU 65 N 0.87 1.87 -0.16 3.54 1.43 -1.03 -4.95 118.68 120.24 2dax s LEU 65 Ca 0.46 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 52.93 2dax s LEU 65 Cb -0.20 0.41 -0.01 0.00 0.03 0.00 0.00 46.19 46.42 2dax s LEU 65 CO 0.24 -0.33 1.13 1.51 0.23 0.00 0.00 176.35 179.12 2dax s ASP 66 N -1.39 7.07 -0.27 2.29 1.47 -1.26 -1.95 116.67 122.63 2dax s ASP 66 Ca -0.15 1.57 -0.12 0.00 1.18 0.00 0.00 52.55 55.03 2dax s ASP 66 Cb -0.09 -2.55 -0.12 0.00 -0.34 0.00 0.00 42.92 39.83 2dax s ASP 66 CO 0.00 -0.64 -0.34 1.33 0.68 0.00 0.00 175.17 176.20 2dax n VAL 67 N 5.08 1.49 -3.83 2.11 0.24 -0.84 -4.89 118.33 117.69 2dax n VAL 67 Ca 0.12 -0.40 -0.01 0.00 -2.04 0.00 0.00 64.34 62.00 2dax n VAL 67 Cb 0.46 -1.82 0.01 0.00 -1.47 0.00 0.00 33.84 31.02 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 -7.33 -0.04 -1.37 -1.34 0.15 -1.24 -4.95 113.70 97.58 2dax s SER 68 Ca -0.38 -0.45 -0.09 0.00 0.70 0.00 0.00 55.95 55.73 2dax s SER 68 Cb 0.14 0.38 0.01 0.00 -1.71 0.00 0.00 66.02 64.84 2dax s SER 68 CO 0.49 -0.74 0.41 0.47 1.20 0.00 0.00 173.24 175.08 2dax n ASP 69 N -0.91 -1.42 -2.18 5.45 8.00 -1.26 0.24 116.55 124.46 2dax n ASP 69 Ca -0.03 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.34 2dax n ASP 69 Cb 0.60 -2.49 0.00 0.00 -0.02 0.00 0.00 41.12 39.21 2dax n ASP 69 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2dax n GLU 70 N -4.53 -2.68 -4.55 -1.24 0.28 -1.26 -4.84 120.64 101.83 2dax n GLU 70 Ca -0.25 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.47 2dax n GLU 70 Cb 0.65 -3.81 -0.10 0.00 1.43 0.00 0.00 31.44 29.62 2dax n GLU 70 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2dax s LYS 71 N -4.22 2.04 0.15 3.44 -0.14 0.14 -5.06 119.74 116.09 2dax s LYS 71 Ca 0.00 -2.11 -0.07 0.00 -1.36 0.00 0.00 55.97 52.43 2dax s LYS 71 Cb 0.00 -1.69 -0.02 0.00 -1.68 0.00 0.00 37.83 34.45 2dax s LYS 71 CO 0.00 -0.12 0.21 0.00 -0.76 0.00 0.00 175.35 174.69 2dax s MET 72 N -3.78 1.08 0.09 1.68 0.23 -1.26 -1.99 119.30 115.35 2dax s MET 72 Ca 0.32 -1.24 -0.00 0.00 -1.03 0.00 0.00 55.69 53.73 2dax s MET 72 Cb 0.08 0.34 -0.04 0.00 -1.53 0.00 0.00 34.83 33.67 2dax s MET 72 CO 0.17 -0.37 -0.01 0.00 -2.03 0.00 0.00 175.02 172.78 2dax s ALA 73 N -3.99 0.77 -0.22 3.16 0.00 -0.82 -4.92 121.76 115.73 2dax s ALA 73 Ca 0.19 -1.34 -0.16 0.00 0.00 0.00 0.00 51.96 50.65 2dax s ALA 73 Cb 0.05 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 2dax s ALA 73 CO 0.00 -0.38 0.39 1.41 0.00 0.00 0.00 175.76 177.18 2dax s MET 74 N -3.94 4.13 -0.36 0.00 1.75 -1.26 -2.47 119.30 117.14 2dax s MET 74 Ca 0.14 0.15 -0.11 0.00 -1.25 0.00 0.00 55.69 54.63 2dax s MET 74 Cb 0.07 -3.57 0.02 0.00 2.84 0.00 0.00 34.83 34.19 2dax s MET 74 CO -0.04 -0.11 0.19 -0.06 -0.65 0.00 0.00 175.02 174.35 2dax s PHE 75 N 1.54 3.22 -0.32 4.11 0.40 -1.08 -4.76 117.98 121.09 2dax s PHE 75 Ca 0.18 -0.85 -0.25 0.00 -0.60 0.00 0.00 56.93 55.41 2dax s PHE 75 Cb -0.15 -2.41 0.01 0.00 0.51 0.00 0.00 43.02 40.97 2dax s PHE 75 CO 0.08 -0.59 0.86 -1.12 0.70 0.00 0.00 175.22 175.15 2dax s SER 76 N 1.57 6.71 -0.67 1.36 0.01 -0.97 -3.05 113.70 118.65 2dax s SER 76 Ca 0.03 0.69 -0.12 0.00 1.31 0.00 0.00 55.95 57.86 2dax s SER 76 Cb -0.19 -2.44 0.17 0.00 0.21 0.00 0.00 66.02 63.78 2dax s SER 76 CO 0.06 -0.71 0.59 -0.76 0.41 0.00 0.00 173.24 172.83 2dax s LEU 77 N 3.18 6.24 -0.73 2.44 1.02 -0.51 -0.84 118.68 129.47 2dax s LEU 77 Ca 0.36 -2.37 -0.26 0.00 0.02 0.00 0.00 54.13 51.87 2dax s LEU 77 Cb -0.13 -2.13 0.01 0.00 0.02 0.00 0.00 46.19 43.96 2dax s LEU 77 CO 0.14 -0.63 1.57 0.00 0.02 0.00 0.00 176.35 177.45 2dax s ALA 78 N 0.67 2.44 -0.10 4.21 0.00 -0.88 -2.16 121.76 125.94 2dax s ALA 78 Ca 0.12 -1.21 -0.09 0.00 0.00 0.00 0.00 51.96 50.79 2dax s ALA 78 Cb -0.19 -4.33 -0.04 0.00 0.00 0.00 0.00 23.12 18.56 2dax s ALA 78 CO -0.04 -3.68 0.20 0.00 0.00 0.00 0.00 175.76 172.24 2dax s ILE 80 N -0.94 0.49 -0.39 0.00 1.01 -1.23 -2.36 121.20 117.79 2dax s ILE 80 Ca 0.17 -0.48 -0.20 0.00 0.00 0.00 0.00 60.65 60.13 2dax s ILE 80 Cb -0.13 -0.97 0.01 0.00 0.01 0.00 0.00 42.46 41.38 2dax s ILE 80 CO 0.06 -0.16 0.63 -0.76 0.00 0.00 0.00 174.94 174.71 2dax s LEU 81 N 1.88 4.34 0.00 2.97 1.43 -1.06 -1.56 118.68 126.68 2dax s LEU 81 Ca -0.00 -0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 52.99 2dax s LEU 81 Cb -0.17 -2.76 0.10 0.00 0.03 0.00 0.00 46.19 43.40 2dax s LEU 81 CO -0.08 -0.66 0.37 -0.81 0.23 0.00 0.00 176.35 175.40 2dax n PRO 82 N 6.12 -1.75 0.01 1.29 -0.04 -1.26 -3.24 135.00 136.12 2dax n PRO 82 Ca -0.02 -0.59 0.13 0.00 -0.04 0.00 0.00 63.50 62.98 2dax n PRO 82 Cb 0.48 -0.55 0.34 0.00 -0.04 0.00 0.00 33.50 33.73 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 -3.31 0.06 -0.07 0.54 3.72 -1.26 -4.04 117.46 113.09 2dax n PHE 83 Ca 0.05 0.02 -0.14 0.00 -0.05 0.00 0.00 57.45 57.33 2dax n PHE 83 Cb 0.20 -0.36 -0.13 0.00 -0.94 0.00 0.00 39.48 38.26 2dax n PHE 83 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2dax h LYS 84 N 0.00 0.00 -1.92 -1.08 1.79 -1.92 -3.48 116.57 109.96 2dax h LYS 84 Ca 0.00 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.26 2dax h LYS 84 Cb 0.52 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.21 2dax h LYS 84 CO 0.00 0.98 -0.19 0.98 -1.08 0.00 0.00 179.45 180.13 2dax n TYR 85 N -4.61 -0.25 0.43 -1.35 9.36 -1.23 -1.76 117.16 117.75 2dax n TYR 85 Ca -0.11 0.29 0.10 0.00 3.32 0.00 0.00 57.90 61.50 2dax n TYR 85 Cb 0.48 -0.62 0.43 0.00 -0.63 0.00 0.00 39.34 39.00 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 0.34 0.13 0.00 2.98 -0.04 -1.26 -4.81 135.00 132.33 2dax n PRO 86 Ca 0.05 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 2dax n PRO 86 Cb 0.09 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 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 -1.68 0.00 -2.74 0.55 0.00 -0.72 -4.11 120.51 111.81 2dax n ALA 87 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.11 2dax n ALA 87 Cb 0.20 0.23 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 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 -2.01 5.15 0.85 0.00 -7.23 -1.26 -4.74 120.40 111.15 2dax s VAL 88 Ca 0.00 0.10 -0.14 0.00 -1.81 0.00 0.00 61.98 60.13 2dax s VAL 88 Cb 0.00 -3.37 -0.00 0.00 0.56 0.00 0.00 36.38 33.57 2dax s VAL 88 CO 0.00 0.39 0.44 0.18 -0.31 0.00 0.00 175.10 175.80 2dax n LEU 89 N 4.01 0.15 0.00 1.32 4.77 -1.26 -3.47 117.00 122.52 2dax n LEU 89 Ca -0.16 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2dax n LEU 89 Cb 0.52 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 2dax n LEU 89 CO 0.35 -3.45 0.00 -0.81 -1.33 0.00 0.00 177.39 172.15 2dax n PRO 90 N -1.19 -0.55 -3.34 3.23 -0.04 -1.26 -4.82 135.00 127.02 2dax n PRO 90 Ca 0.08 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.28 2dax n PRO 90 Cb 0.52 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.90 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 -1.16 1.62 -2.59 0.54 -0.58 -0.60 -4.94 120.64 112.93 2dax n GLU 91 Ca 0.00 -3.98 -0.42 0.00 -0.42 0.00 0.00 57.16 52.34 2dax n GLU 91 Cb 0.00 -1.78 -0.03 0.00 -0.57 0.00 0.00 31.44 29.06 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 -1.77 4.56 -0.29 -3.67 1.01 -1.25 -3.56 121.20 116.22 2dax s ILE 92 Ca 0.37 1.84 0.03 0.00 0.00 0.00 0.00 60.65 62.89 2dax s ILE 92 Cb 0.15 -4.18 0.08 0.00 0.01 0.00 0.00 42.46 38.51 2dax s ILE 92 CO -0.07 0.04 -0.02 -0.89 0.00 0.00 0.00 174.94 174.00 2dax s THR 93 N 1.79 1.95 0.01 2.92 2.01 0.07 -4.94 115.64 119.46 2dax s THR 93 Ca 0.52 -1.79 -0.30 0.00 0.31 0.00 0.00 61.69 60.43 2dax s THR 93 Cb -0.22 -2.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.98 2dax s THR 93 CO 0.22 -0.31 1.24 -0.69 -0.69 0.00 0.00 174.62 174.39 2dax s VAL 94 N 1.14 4.03 0.11 3.82 1.01 -1.26 -2.06 120.40 127.19 2dax s VAL 94 Ca 0.01 1.42 0.10 0.00 0.00 0.00 0.00 61.98 63.50 2dax s VAL 94 Cb -0.19 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2dax s VAL 94 CO -0.08 0.05 -0.25 -0.13 0.00 0.00 0.00 175.10 174.69 2dax s ARG 95 N 1.75 1.31 -0.29 2.72 3.00 -0.02 -4.92 118.95 122.50 2dax s ARG 95 Ca 0.59 -1.26 -0.19 0.00 0.00 0.00 0.00 55.73 54.87 2dax s ARG 95 Cb -0.28 -1.70 0.13 0.00 0.00 0.00 0.00 34.95 33.09 2dax s ARG 95 CO 0.26 0.40 0.95 0.45 0.00 0.00 0.00 175.30 177.37 2dax s SER 96 N -1.94 -0.55 0.56 0.23 0.15 -1.26 -2.30 113.70 108.59 2dax s SER 96 Ca 0.11 0.93 0.33 0.00 0.70 0.00 0.00 55.95 58.02 2dax s SER 96 Cb -0.10 1.13 1.68 0.00 -1.71 0.00 0.00 66.02 67.02 2dax s SER 96 CO 0.05 -0.15 2.13 -0.37 1.20 0.00 0.00 173.24 176.10 2dax h VAL 97 N 4.53 0.33 0.05 4.45 -1.51 -2.01 -2.71 116.25 119.37 2dax h VAL 97 Ca -0.28 -0.38 -0.18 0.00 -1.23 0.00 0.00 66.70 64.63 2dax h VAL 97 Cb 1.19 1.28 0.02 0.00 -2.13 0.00 0.00 31.29 31.65 2dax h VAL 97 CO 0.16 0.06 -0.71 -0.07 -1.23 0.00 0.00 177.57 175.78 2dax h LEU 98 N 0.00 0.54 -9.98 4.19 3.38 -1.96 -3.46 115.31 108.03 2dax h LEU 98 Ca -0.00 -0.82 -0.53 0.00 0.09 0.00 0.00 57.88 56.62 2dax h LEU 98 Cb 0.28 -0.17 0.10 0.00 0.09 0.00 0.00 40.66 40.95 2dax h LEU 98 CO 0.01 1.30 0.60 -0.76 0.09 0.00 0.00 178.44 179.69 2dax s LEU 99 N -8.17 4.09 0.56 1.67 1.43 -1.02 -4.56 118.68 112.67 2dax s LEU 99 Ca -0.13 2.66 -0.00 0.00 -1.03 0.00 0.00 54.13 55.63 2dax s LEU 99 Cb 0.03 -4.04 0.03 0.00 0.03 0.00 0.00 46.19 42.24 2dax s LEU 99 CO 0.83 -1.06 0.80 -0.94 0.23 0.00 0.00 176.35 176.21 2dax s SER 100 N -0.85 5.31 0.62 2.29 1.04 -1.26 -4.81 113.70 116.03 2dax s SER 100 Ca 0.62 0.12 0.32 0.00 0.48 0.00 0.00 55.95 57.49 2dax s SER 100 Cb -0.38 -1.04 1.79 0.00 0.10 0.00 0.00 66.02 66.49 2dax s SER 100 CO 0.47 -1.13 2.11 0.08 0.98 0.00 0.00 173.24 175.75 2dax h ARG 101 N 0.02 0.00 0.00 4.02 0.11 -1.96 -1.45 114.38 115.11 2dax h ARG 101 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 2dax h ARG 101 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 2dax h ARG 101 CO 0.54 0.00 -0.28 1.03 0.10 0.00 0.00 179.97 181.36 2dax h SER 102 N 0.00 0.00 -0.38 0.08 0.87 -2.01 -3.36 113.55 108.75 2dax h SER 102 Ca 0.06 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.66 2dax h SER 102 Cb 0.45 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.34 2dax h SER 102 CO -0.00 0.46 -0.48 1.56 -0.53 0.00 0.00 176.83 177.84 2dax h GLN 103 N -0.63 -0.30 -0.79 2.24 7.50 -1.92 -1.12 115.11 120.09 2dax h GLN 103 Ca 0.00 0.02 0.13 0.00 0.50 0.00 0.00 58.65 59.30 2dax h GLN 103 Cb 0.28 0.07 -0.13 0.00 0.05 0.00 0.00 27.48 27.75 2dax h GLN 103 CO 0.00 -0.20 -0.28 0.94 -1.50 0.00 0.00 178.83 177.79 2dax n GLN 104 N -4.95 -0.16 -0.00 1.46 -0.06 -0.56 -0.83 117.38 112.28 2dax n GLN 104 Ca -0.03 1.22 -0.06 0.00 -2.00 0.00 0.00 57.00 56.14 2dax n GLN 104 Cb 0.28 -1.82 -0.04 0.00 -4.06 0.00 0.00 30.24 24.61 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 -0.72 1.69 2.02 -1.35 -1.27 112.91 113.28 2dax h THR 105 Ca 0.30 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.64 2dax h THR 105 Cb 0.50 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.79 2dax h THR 105 CO -0.79 0.00 0.03 -0.61 0.37 0.00 0.00 175.52 174.52 2dax h GLN 106 N -0.22 0.13 -0.26 6.66 5.75 -0.83 0.85 115.11 127.19 2dax h GLN 106 Ca 0.01 -0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.56 2dax h GLN 106 Cb 0.25 -0.03 -0.08 0.00 1.07 0.00 0.00 27.48 28.70 2dax h GLN 106 CO -0.16 0.08 -0.44 1.25 -2.65 0.00 0.00 178.83 176.92 2dax h LEU 107 N 0.13 -1.41 -0.60 -2.39 6.46 -0.37 -1.55 115.31 115.59 2dax h LEU 107 Ca 0.39 0.20 -0.02 0.00 -0.12 0.00 0.00 57.88 58.33 2dax h LEU 107 Cb 0.68 0.59 -0.03 0.00 -0.73 0.00 0.00 40.66 41.17 2dax h LEU 107 CO -0.61 -0.40 0.31 0.78 -0.62 0.00 0.00 178.44 177.90 2dax h ASN 108 N -0.42 0.76 -0.97 1.25 2.35 -0.13 -2.32 115.58 116.10 2dax h ASN 108 Ca 0.10 -0.11 0.32 0.00 -0.55 0.00 0.00 56.30 56.06 2dax h ASN 108 Cb 0.61 -0.19 -0.16 0.00 0.05 0.00 0.00 38.32 38.63 2dax h ASN 108 CO -0.48 0.65 0.38 0.74 -1.65 0.00 0.00 177.43 177.07 2dax h THR 109 N 0.81 0.18 0.10 2.81 2.02 0.13 0.13 112.91 119.09 2dax h THR 109 Ca 0.21 -0.05 -0.17 0.00 0.77 0.00 0.00 66.41 67.16 2dax h THR 109 Cb 0.07 0.01 0.02 0.00 -1.74 0.00 0.00 68.15 66.51 2dax h THR 109 CO -0.03 0.03 -0.73 -0.78 0.37 0.00 0.00 175.52 174.38 2dax h ASP 110 N 0.16 0.46 -1.12 4.18 1.82 -1.13 -3.25 116.42 117.54 2dax h ASP 110 Ca 0.69 -0.91 0.41 0.00 -0.39 0.00 0.00 57.03 56.83 2dax h ASP 110 Cb 1.60 -0.15 -0.16 0.00 0.68 0.00 0.00 39.33 41.30 2dax h ASP 110 CO -0.72 1.33 0.66 0.25 -1.61 0.00 0.00 179.24 179.16 2dax h LEU 111 N -0.34 0.33 -0.08 2.28 5.85 -0.22 0.92 115.31 124.05 2dax h LEU 111 Ca -0.12 0.20 -0.25 0.00 0.84 0.00 0.00 57.88 58.56 2dax h LEU 111 Cb 1.54 0.19 0.02 0.00 0.37 0.00 0.00 40.66 42.78 2dax h LEU 111 CO 0.14 -0.29 -0.92 0.74 -0.34 0.00 0.00 178.44 177.77 2dax h THR 112 N 0.09 1.28 0.48 1.05 2.02 -1.48 -3.32 112.91 113.03 2dax h THR 112 Ca 0.82 -2.11 -0.01 0.00 0.77 0.00 0.00 66.41 65.88 2dax h THR 112 Cb 2.26 2.18 -0.02 0.00 -1.74 0.00 0.00 68.15 70.83 2dax h THR 112 CO -0.61 0.66 -0.47 0.00 0.37 0.00 0.00 175.52 175.46 2dax h ALA 113 N 0.47 -1.14 -0.63 6.16 0.00 0.82 -0.89 119.26 124.06 2dax h ALA 113 Ca -0.09 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.69 2dax h ALA 113 Cb 1.56 0.70 -0.08 0.00 0.00 0.00 0.00 17.79 19.97 2dax h ALA 113 CO 0.18 -1.16 -0.37 0.34 0.00 0.00 0.00 179.25 178.24 2dax n PHE 114 N -5.31 -0.28 0.13 0.00 7.35 -0.72 -0.85 117.46 117.79 2dax n PHE 114 Ca -0.11 0.79 -0.14 0.00 -0.76 0.00 0.00 57.45 57.22 2dax n PHE 114 Cb 0.43 -0.53 -0.07 0.00 0.35 0.00 0.00 39.48 39.67 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 -1.05 -1.59 -2.13 3.38 -1.63 0.35 115.31 112.64 2dax h LEU 115 Ca 0.10 0.12 0.40 0.00 0.09 0.00 0.00 57.88 58.59 2dax h LEU 115 Cb 0.26 0.39 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 2dax h LEU 115 CO -0.59 -0.45 1.21 1.56 0.09 0.00 0.00 178.44 180.26 2dax h GLN 116 N -0.62 0.00 0.00 1.13 1.08 0.48 0.54 115.11 117.72 2dax h GLN 116 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2dax h GLN 116 Cb 0.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 2dax h GLN 116 CO -0.19 0.00 -0.39 1.17 -0.95 0.00 0.00 178.83 178.47 2dax n LYS 117 N -3.65 0.25 0.22 1.46 3.00 -0.21 -4.63 118.16 114.61 2dax n LYS 117 Ca 0.31 0.22 -0.09 0.00 -0.00 0.00 0.00 58.31 58.75 2dax n LYS 117 Cb 1.64 -1.07 -0.04 0.00 0.00 0.00 0.00 35.03 35.56 2dax n LYS 117 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2dax h HIS 118 N -0.49 -0.54 -2.64 5.64 3.86 0.27 -3.39 115.15 117.85 2dax h HIS 118 Ca 0.00 -0.01 -0.64 0.00 -1.16 0.00 0.00 60.37 58.56 2dax h HIS 118 Cb 0.39 0.18 -0.15 0.00 1.06 0.00 0.00 27.41 28.89 2dax h HIS 118 CO -0.17 -0.34 0.54 0.00 0.86 0.00 0.00 177.93 178.83 2dax s HIS 120 N 3.91 0.40 0.00 0.00 5.04 -1.24 -3.72 115.29 119.68 2dax s HIS 120 Ca 0.22 -0.50 0.00 0.00 -1.54 0.00 0.00 55.06 53.25 2dax s HIS 120 Cb -0.16 -0.79 0.00 0.00 0.04 0.00 0.00 32.58 31.66 2dax s HIS 120 CO 0.09 -0.56 0.00 0.41 -2.34 0.00 0.00 174.74 172.33 2dax n GLY 121 N 5.22 3.42 3.82 1.59 0.00 -1.26 -5.04 105.19 112.95 2dax n GLY 121 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.00 4.75 -0.55 1.61 1.01 -1.26 -4.71 116.67 116.52 2dax s ASP 122 Ca 0.00 -0.94 -0.16 0.00 0.71 0.00 0.00 52.55 52.16 2dax s ASP 122 Cb 0.00 -0.42 0.13 0.00 1.01 0.00 0.00 42.92 43.64 2dax s ASP 122 CO 0.00 -0.66 0.51 0.68 0.21 0.00 0.00 175.17 175.91 2dax s VAL 123 N -2.56 5.21 -0.33 -1.27 -7.23 -1.26 -4.88 120.40 108.08 2dax s VAL 123 Ca 0.44 -1.51 -0.01 0.00 -1.81 0.00 0.00 61.98 59.08 2dax s VAL 123 Cb -0.00 -4.35 0.11 0.00 0.56 0.00 0.00 36.38 32.70 2dax s VAL 123 CO 0.25 -0.88 0.14 0.00 -0.31 0.00 0.00 175.10 174.31 2dax n ILE 125 N 4.64 1.54 0.19 0.00 2.08 -1.26 -4.18 119.36 122.37 2dax n ILE 125 Ca 0.01 -0.79 0.04 0.00 0.56 0.00 0.00 62.75 62.56 2dax n ILE 125 Cb 0.40 -0.91 0.42 0.00 -0.75 0.00 0.00 39.64 38.80 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 0.01 0.03 -2.55 1.39 3.38 -2.01 -1.98 115.31 113.58 2dax h LEU 126 Ca -0.42 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 2dax h LEU 126 Cb 2.10 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.84 2dax h LEU 126 CO 0.05 0.29 -0.01 -1.13 0.09 0.00 0.00 178.44 177.73 2dax h ASN 127 N 0.03 0.00 0.00 -0.43 -1.24 -1.99 -1.83 115.58 110.12 2dax h ASN 127 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.98 2dax h ASN 127 Cb 0.47 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.52 2dax h ASN 127 CO 0.03 0.01 -0.21 0.00 -1.29 0.00 0.00 177.43 175.97 2dax h ALA 128 N 1.99 0.04 -0.63 1.57 0.00 -1.57 -3.16 119.26 117.50 2dax h ALA 128 Ca -0.00 -0.58 0.02 0.00 0.00 0.00 0.00 54.91 54.36 2dax h ALA 128 Cb 0.13 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2dax h ALA 128 CO 0.00 0.12 0.41 1.79 0.00 0.00 0.00 179.25 181.58 2dax h THR 129 N -1.00 1.11 0.00 0.00 1.35 -1.48 0.53 112.91 113.43 2dax h THR 129 Ca -0.06 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2dax h THR 129 Cb 0.96 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 2dax h THR 129 CO -0.03 0.14 0.00 -0.33 -0.25 0.00 0.00 175.52 175.05 2dax h GLU 130 N 0.78 0.00 0.01 4.72 5.08 -1.47 -1.03 114.58 122.67 2dax h GLU 130 Ca 0.24 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.29 2dax h GLU 130 Cb 0.02 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 2dax h GLU 130 CO -0.06 0.00 -1.91 1.87 -1.00 0.00 0.00 179.01 177.91 2dax n TRP 131 N -2.75 0.76 -0.07 4.33 -0.00 -0.02 -4.40 117.44 115.29 2dax n TRP 131 Ca 0.02 0.26 -0.11 0.00 -0.00 0.00 0.00 57.50 57.67 2dax n TRP 131 Cb 0.33 -1.14 -0.10 0.00 -0.00 0.00 0.00 31.31 30.40 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 0.01 1.32 -1.60 5.87 2.07 -0.88 -2.61 116.25 120.43 2dax h VAL 132 Ca -0.37 -2.01 0.46 0.00 0.82 0.00 0.00 66.70 65.61 2dax h VAL 132 Cb 2.07 2.51 -0.06 0.00 -1.52 0.00 0.00 31.29 34.28 2dax h VAL 132 CO 0.06 0.45 1.18 -2.11 0.02 0.00 0.00 177.57 177.17 2dax n ARG 133 N -4.64 0.00 -0.11 1.57 1.85 -0.40 0.91 116.66 115.84 2dax n ARG 133 Ca -0.09 0.90 -0.19 0.00 -1.00 0.00 0.00 57.85 57.47 2dax n ARG 133 Cb 0.38 -2.09 -0.08 0.00 -1.05 0.00 0.00 32.46 29.61 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 -3.55 0.55 0.24 2.89 2.13 -1.25 -4.38 120.64 117.27 2dax n GLU 134 Ca 0.36 0.40 -0.15 0.00 0.66 0.00 0.00 57.16 58.43 2dax n GLU 134 Cb 1.66 -1.60 -0.08 0.00 0.27 0.00 0.00 31.44 31.69 2dax n GLU 134 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2dax h HIS 135 N -1.00 -0.63 -0.11 4.31 3.86 -0.14 -2.74 115.15 118.71 2dax h HIS 135 Ca -0.34 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 58.87 2dax h HIS 135 Cb 1.21 0.22 -0.01 0.00 1.06 0.00 0.00 27.41 29.89 2dax h HIS 135 CO -0.12 -0.37 -0.06 0.00 0.86 0.00 0.00 177.93 178.24 2dax n ALA 136 N -2.43 -0.07 -0.32 2.45 0.00 0.26 0.13 120.51 120.54 2dax n ALA 136 Ca -0.11 0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.52 2dax n ALA 136 Cb 0.28 0.27 0.26 0.00 0.00 0.00 0.00 19.45 20.25 2dax n ALA 136 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dax h SER 137 N 0.00 0.61 -0.93 0.00 0.87 -1.74 -0.49 113.55 111.87 2dax h SER 137 Ca 0.02 0.09 0.17 0.00 -1.23 0.00 0.00 61.79 60.84 2dax h SER 137 Cb 0.04 -0.01 -0.10 0.00 -0.44 0.00 0.00 62.40 61.90 2dax h SER 137 CO -0.10 0.24 0.52 1.23 -0.53 0.00 0.00 176.83 178.19 2dax h GLY 138 N 0.67 1.58 0.79 5.77 0.00 0.13 -1.69 103.07 110.33 2dax h GLY 138 Ca 0.50 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.47 2dax h GLY 138 CO -0.37 -0.05 -0.14 -0.97 0.00 0.00 0.00 176.54 175.01 2dax h TYR 139 N 0.69 0.49 -2.47 5.60 0.05 0.15 -3.43 116.97 118.06 2dax h TYR 139 Ca 0.52 -0.14 -0.53 0.00 0.05 0.00 0.00 58.73 58.63 2dax h TYR 139 Cb 0.78 -0.11 0.02 0.00 1.01 0.00 0.00 36.73 38.42 2dax h TYR 139 CO -0.05 0.75 1.16 0.08 -1.05 0.00 0.00 178.16 179.06 2dax s VAL 140 N -4.43 3.07 -0.05 -2.88 1.01 -0.63 -4.85 120.40 111.64 2dax s VAL 140 Ca -0.14 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 2dax s VAL 140 Cb 0.06 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 2dax s VAL 140 CO 0.76 -0.01 -0.08 -1.54 0.00 0.00 0.00 175.10 174.23 2dax n SER 141 N 7.01 0.54 -3.26 3.32 3.41 -1.26 -4.92 113.62 118.45 2dax n SER 141 Ca 0.19 0.09 -0.04 0.00 -0.26 0.00 0.00 58.87 58.84 2dax n SER 141 Cb 0.41 -0.21 -0.05 0.00 -0.26 0.00 0.00 64.21 64.10 2dax n SER 141 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2dax s ARG 142 N -2.12 0.45 -0.41 4.33 3.00 -1.26 -4.96 118.95 117.97 2dax s ARG 142 Ca -0.08 0.59 -0.36 0.00 -1.00 0.00 0.00 55.73 54.88 2dax s ARG 142 Cb 0.03 -0.07 -0.13 0.00 0.00 0.00 0.00 34.95 34.78 2dax s ARG 142 CO 0.11 -0.75 2.22 -0.40 0.00 0.00 0.00 175.30 176.48 2dax n ASP 143 N 5.39 1.83 -3.64 -2.12 5.68 -1.26 -4.87 116.55 117.55 2dax n ASP 143 Ca -0.01 0.39 -0.06 0.00 -0.50 0.00 0.00 54.79 54.61 2dax n ASP 143 Cb 0.51 -1.21 -0.07 0.00 -1.14 0.00 0.00 41.12 39.21 2dax n ASP 143 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2dax s THR 144 N 7.47 0.00 -0.06 2.12 -1.32 -1.26 -5.14 115.64 117.44 2dax s THR 144 Ca 1.12 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 61.61 2dax s THR 144 Cb -0.94 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.02 2dax s THR 144 CO 0.50 0.00 -0.07 -0.94 -2.21 0.00 0.00 174.62 171.90 2dax s SER 145 N 0.62 4.64 -0.44 8.08 1.04 -1.26 -4.93 113.70 121.44 2dax s SER 145 Ca -0.01 -0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.38 2dax s SER 145 Cb -0.04 -1.16 0.28 0.00 0.10 0.00 0.00 66.02 65.20 2dax s SER 145 CO -0.10 0.36 2.06 -1.54 0.98 0.00 0.00 173.24 175.00 2dax n SER 146 N 2.19 6.88 -4.86 7.02 3.41 -1.26 -4.93 113.62 122.07 2dax n SER 146 Ca -0.18 -3.31 -0.30 0.00 -0.26 0.00 0.00 58.87 54.82 2dax n SER 146 Cb 0.53 -1.04 -0.05 0.00 -0.26 0.00 0.00 64.21 63.39 2dax n SER 146 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dax s SER 147 N -0.46 5.97 0.00 4.04 0.01 -1.26 -5.02 113.70 116.98 2dax s SER 147 Ca 0.43 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.82 2dax s SER 147 Cb 0.34 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.84 2dax s SER 147 CO -0.02 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.39 2dax n GLY 148 N 0.24 0.68 3.77 3.44 0.00 -1.26 -5.08 105.19 106.98 2dax n GLY 148 Ca -0.07 -2.07 -0.35 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.83 3.36 -0.28 1.61 0.04 -1.26 -5.06 135.00 132.58 2dax s PRO 149 Ca 0.00 1.62 -0.17 0.00 0.04 0.00 0.00 61.00 62.49 2dax s PRO 149 Cb 0.00 -2.01 0.09 0.00 0.04 0.00 0.00 34.50 32.62 2dax s PRO 149 CO 0.00 -0.85 0.76 0.45 0.04 0.00 0.00 177.00 177.40 2dax s SER 150 N -1.76 -0.83 -0.15 6.66 0.15 -1.26 -5.15 113.70 111.35 2dax s SER 150 Ca 0.73 1.36 -0.00 0.00 0.70 0.00 0.00 55.95 58.73 2dax s SER 150 Cb -0.24 1.35 -0.01 0.00 -1.71 0.00 0.00 66.02 65.41 2dax s SER 150 CO 0.27 -0.22 -0.14 -0.55 1.20 0.00 0.00 173.24 173.80 2dax s SER 151 N 1.45 3.79 0.00 5.45 0.15 -1.26 -5.31 113.70 117.97 2dax s SER 151 Ca -0.09 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.14 2dax s SER 151 Cb -0.05 -1.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 2dax s SER 151 CO -0.17 0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.98