#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dax s SER 2 N 0.00 3.07 -0.09 1.61 0.01 -1.26 -5.03 113.70 112.02 2dax s SER 2 Ca 0.00 -0.97 -0.05 0.00 1.31 0.00 0.00 55.95 56.25 2dax s SER 2 Cb 0.00 -0.56 -0.02 0.00 0.21 0.00 0.00 66.02 65.65 2dax s SER 2 CO 0.00 -0.34 -0.09 -1.28 0.41 0.00 0.00 173.24 171.94 2dax h SER 3 N 8.26 0.00 -2.41 2.44 0.87 -2.09 -3.42 113.55 117.21 2dax h SER 3 Ca -0.16 0.00 -0.73 0.00 -1.23 0.00 0.00 61.79 59.67 2dax h SER 3 Cb 1.10 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 62.87 2dax h SER 3 CO 0.36 0.47 1.11 -0.83 -0.53 0.00 0.00 176.83 177.41 2dax s GLY 4 N -3.53 2.39 -0.19 5.77 0.00 -1.26 -4.99 107.32 105.50 2dax s GLY 4 Ca -0.08 -3.27 -0.09 0.00 0.00 0.00 0.00 44.72 41.28 2dax s GLY 4 CO 0.11 1.95 0.12 -1.35 0.00 0.00 0.00 173.10 173.93 2dax s SER 5 N 2.85 6.11 -0.23 1.64 1.04 -1.26 -4.98 113.70 118.87 2dax s SER 5 Ca 0.38 0.22 0.07 0.00 0.48 0.00 0.00 55.95 57.10 2dax s SER 5 Cb -0.04 -2.06 -0.19 0.00 0.10 0.00 0.00 66.02 63.83 2dax s SER 5 CO -0.03 0.19 -0.11 -0.24 0.98 0.00 0.00 173.24 174.03 2dax n SER 6 N 3.43 1.41 -3.56 7.02 2.88 -1.26 -4.60 113.62 118.94 2dax n SER 6 Ca -0.16 -0.08 -0.41 0.00 -1.33 0.00 0.00 58.87 56.89 2dax n SER 6 Cb 0.52 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 2dax n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dax n GLY 7 N 2.14 5.43 0.32 0.46 0.00 -1.26 -4.78 105.19 107.49 2dax n GLY 7 Ca -0.39 -2.21 -0.08 0.00 0.00 0.00 0.00 46.02 43.34 2dax n GLY 7 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dax h GLU 8 N 4.60 -0.28 -0.16 1.61 5.08 -2.00 -2.80 114.58 120.62 2dax h GLU 8 Ca 0.63 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 59.03 2dax h GLU 8 Cb 0.34 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2dax h GLU 8 CO 1.41 -0.19 -0.16 1.96 -1.00 0.00 0.00 179.01 181.03 2dax h GLN 9 N -0.29 -0.08 -0.98 2.33 4.20 -1.92 0.26 115.11 118.63 2dax h GLN 9 Ca 0.14 0.01 0.39 0.00 0.06 0.00 0.00 58.65 59.25 2dax h GLN 9 Cb 0.52 0.02 -0.15 0.00 0.30 0.00 0.00 27.48 28.16 2dax h GLN 9 CO -0.45 -0.05 0.56 0.00 -0.67 0.00 0.00 178.83 178.22 2dax n ALA 10 N -2.89 1.00 0.04 3.87 0.00 -1.08 0.23 120.51 121.69 2dax n ALA 10 Ca -0.01 0.89 -0.16 0.00 0.00 0.00 0.00 53.44 54.16 2dax n ALA 10 Cb 0.09 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 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 0.58 -0.55 0.00 5.08 -0.43 -3.10 114.58 116.16 2dax h GLU 11 Ca 0.77 -0.58 0.11 0.00 -1.00 0.00 0.00 59.36 58.66 2dax h GLU 11 Cb 2.16 0.15 -0.11 0.00 0.50 0.00 0.00 28.75 31.45 2dax h GLU 11 CO -0.63 1.20 -0.16 0.00 -1.00 0.00 0.00 179.01 178.42 2dax h ALA 12 N 0.61 0.32 0.60 3.43 0.00 0.59 0.14 119.26 124.95 2dax h ALA 12 Ca -0.09 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2dax h ALA 12 Cb 1.56 0.46 0.01 0.00 0.00 0.00 0.00 17.79 19.82 2dax h ALA 12 CO 0.17 -0.46 -0.29 1.96 0.00 0.00 0.00 179.25 180.64 2dax h GLN 13 N -0.02 -0.77 -0.64 0.00 4.20 -1.56 -3.20 115.11 113.12 2dax h GLN 13 Ca 0.26 0.05 0.06 0.00 0.06 0.00 0.00 58.65 59.09 2dax h GLN 13 Cb 0.43 0.18 -0.08 0.00 0.30 0.00 0.00 27.48 28.30 2dax h GLN 13 CO -0.58 -0.51 -0.42 1.25 -0.67 0.00 0.00 178.83 177.90 2dax h LEU 14 N -1.01 -1.50 -0.75 1.46 5.85 -1.42 0.80 115.31 118.74 2dax h LEU 14 Ca -0.08 0.22 0.13 0.00 0.84 0.00 0.00 57.88 58.99 2dax h LEU 14 Cb 0.61 0.66 -0.13 0.00 0.37 0.00 0.00 40.66 42.17 2dax h LEU 14 CO 0.13 -0.18 -0.25 0.00 -0.34 0.00 0.00 178.44 177.80 2dax n ALA 15 N -3.14 0.02 0.04 1.25 0.00 0.01 0.88 120.51 119.58 2dax n ALA 15 Ca 0.01 0.78 -0.11 0.00 0.00 0.00 0.00 53.44 54.12 2dax n ALA 15 Cb 0.19 -0.40 -0.05 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.16 0.07 0.00 4.57 -0.85 -2.91 114.58 115.30 2dax h GLU 16 Ca 0.30 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.50 2dax h GLU 16 Cb 0.49 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 2dax h GLU 16 CO -0.76 -0.11 -0.32 -0.07 -1.18 0.00 0.00 179.01 176.58 2dax h LEU 17 N -0.16 -0.96 -0.82 1.64 3.38 0.11 -2.03 115.31 116.47 2dax h LEU 17 Ca 0.04 0.10 0.17 0.00 0.09 0.00 0.00 57.88 58.29 2dax h LEU 17 Cb 0.22 0.36 -0.15 0.00 0.09 0.00 0.00 40.66 41.17 2dax h LEU 17 CO -0.12 -0.33 -0.16 -0.67 0.09 0.00 0.00 178.44 177.25 2dax n ASP 18 N -4.26 -0.26 0.29 -0.43 2.03 -0.50 -0.15 116.55 113.27 2dax n ASP 18 Ca -0.05 1.40 -0.18 0.00 0.52 0.00 0.00 54.79 56.48 2dax n ASP 18 Cb 0.25 -0.44 -0.09 0.00 -0.72 0.00 0.00 41.12 40.11 2dax n ASP 18 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2dax h LEU 19 N 0.00 -1.33 -0.40 -2.67 6.46 -1.18 -3.06 115.31 113.13 2dax h LEU 19 Ca 0.41 0.10 0.04 0.00 -0.12 0.00 0.00 57.88 58.31 2dax h LEU 19 Cb 0.67 0.44 -0.06 0.00 -0.73 0.00 0.00 40.66 40.99 2dax h LEU 19 CO -0.83 -0.65 -0.31 -0.07 -0.62 0.00 0.00 178.44 175.97 2dax h LEU 20 N -0.98 -1.09 -0.72 2.25 3.38 -0.05 0.29 115.31 118.39 2dax h LEU 20 Ca -0.06 0.16 0.28 0.00 0.09 0.00 0.00 57.88 58.34 2dax h LEU 20 Cb 0.85 0.47 -0.13 0.00 0.09 0.00 0.00 40.66 41.93 2dax h LEU 20 CO -0.05 -0.16 0.31 0.00 0.09 0.00 0.00 178.44 178.63 2dax n ALA 21 N -3.04 0.66 -0.02 1.53 0.00 -0.87 0.21 120.51 118.99 2dax n ALA 21 Ca -0.00 0.74 -0.16 0.00 0.00 0.00 0.00 53.44 54.02 2dax n ALA 21 Cb 0.16 -0.70 -0.09 0.00 0.00 0.00 0.00 19.45 18.81 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 0.53 -0.90 0.00 0.02 -0.39 -3.25 113.55 109.56 2dax h SER 22 Ca 0.58 -0.67 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2dax h SER 22 Cb 1.47 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.81 2dax h SER 22 CO -0.58 1.12 0.58 0.24 -1.14 0.00 0.00 176.83 177.05 2dax h MET 23 N -0.02 1.20 -3.38 3.45 2.07 0.39 -3.29 114.93 115.34 2dax h MET 23 Ca -0.04 -0.09 -0.72 0.00 -2.07 0.00 0.00 59.70 56.79 2dax h MET 23 Cb 1.14 -0.26 -0.34 0.00 -1.87 0.00 0.00 31.60 30.26 2dax h MET 23 CO 0.10 0.81 -0.07 -0.06 1.07 0.00 0.00 176.91 178.76 2dax s PHE 24 N -5.97 3.87 0.11 -0.22 0.40 0.72 -4.89 117.98 112.00 2dax s PHE 24 Ca -0.12 -2.93 -0.14 0.00 -0.60 0.00 0.00 56.93 53.14 2dax s PHE 24 Cb 0.18 -3.31 -0.08 0.00 0.51 0.00 0.00 43.02 40.32 2dax s PHE 24 CO 0.81 -0.78 1.43 -1.00 0.70 0.00 0.00 175.22 176.38 2dax h PRO 25 N 6.24 0.74 -6.35 0.24 0.13 -1.65 -3.42 132.00 127.94 2dax h PRO 25 Ca 0.14 -0.39 -0.65 0.00 -0.87 0.00 0.00 66.00 64.23 2dax h PRO 25 Cb 0.84 0.02 0.07 0.00 0.13 0.00 0.00 31.00 32.05 2dax h PRO 25 CO 0.85 1.01 0.43 0.41 -0.23 0.00 0.00 178.00 180.47 2dax n GLY 26 N 0.16 0.39 0.35 1.56 0.00 -1.26 -4.83 105.19 101.56 2dax n GLY 26 Ca -0.04 0.61 0.11 0.00 0.00 0.00 0.00 46.02 46.70 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 4.17 0.45 0.19 1.61 9.09 -1.87 -2.13 114.58 126.10 2dax h GLU 27 Ca -0.45 -0.03 -0.34 0.00 0.05 0.00 0.00 59.36 58.59 2dax h GLU 27 Cb 1.33 -0.10 0.01 0.00 -1.65 0.00 0.00 28.75 28.34 2dax h GLU 27 CO 0.75 0.30 -1.61 -0.97 0.05 0.00 0.00 179.01 177.53 2dax h ASN 28 N 0.46 0.63 -0.93 3.06 -0.73 -1.95 -3.35 115.58 112.76 2dax h ASN 28 Ca 0.27 -0.82 0.23 0.00 1.87 0.00 0.00 56.30 57.85 2dax h ASN 28 Cb 0.46 -0.20 -0.18 0.00 0.27 0.00 0.00 38.32 38.67 2dax h ASN 28 CO -0.08 1.68 -0.07 -0.62 -0.37 0.00 0.00 177.43 177.97 2dax n GLU 29 N -3.59 -0.08 -3.75 6.67 1.02 -0.80 -3.94 120.64 116.17 2dax n GLU 29 Ca -0.20 1.42 -0.15 0.00 -0.02 0.00 0.00 57.16 58.21 2dax n GLU 29 Cb 1.08 -2.20 -0.15 0.00 -0.02 0.00 0.00 31.44 30.14 2dax n GLU 29 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2dax s LEU 30 N -10.86 0.75 -0.16 -4.62 0.20 -1.20 0.25 118.68 103.04 2dax s LEU 30 Ca -0.13 0.21 0.00 0.00 0.69 0.00 0.00 54.13 54.91 2dax s LEU 30 Cb 0.27 0.20 0.03 0.00 -0.43 0.00 0.00 46.19 46.25 2dax s LEU 30 CO 0.73 -0.15 -0.13 -0.63 -0.29 0.00 0.00 176.35 175.87 2dax s ILE 31 N 1.27 1.56 -0.49 6.68 1.09 0.08 -4.80 121.20 126.60 2dax s ILE 31 Ca -0.08 -0.68 -0.18 0.00 -1.10 0.00 0.00 60.65 58.62 2dax s ILE 31 Cb -0.12 -1.50 0.06 0.00 -1.06 0.00 0.00 42.46 39.84 2dax s ILE 31 CO -0.05 0.41 0.54 -0.69 -0.10 0.00 0.00 174.94 175.05 2dax s VAL 32 N 1.48 5.00 -0.03 2.92 1.01 -1.26 -1.00 120.40 128.51 2dax s VAL 32 Ca 0.04 -0.62 -0.24 0.00 0.00 0.00 0.00 61.98 61.15 2dax s VAL 32 Cb -0.13 -4.22 -0.21 0.00 0.00 0.00 0.00 36.38 31.81 2dax s VAL 32 CO -0.10 -0.70 1.13 0.78 0.00 0.00 0.00 175.10 176.21 2dax h ASN 33 N 8.90 0.18 -1.73 3.32 2.35 -1.92 -3.39 115.58 123.29 2dax h ASN 33 Ca -0.28 -0.66 -0.65 0.00 -0.55 0.00 0.00 56.30 54.16 2dax h ASN 33 Cb 1.10 -0.05 -0.14 0.00 0.05 0.00 0.00 38.32 39.28 2dax h ASN 33 CO 0.92 0.81 1.25 -0.62 -1.65 0.00 0.00 177.43 178.14 2dax s ASP 34 N -6.11 6.61 0.04 5.81 -1.08 -0.96 -4.80 116.67 116.18 2dax s ASP 34 Ca -0.16 -1.87 -0.17 0.00 -0.52 0.00 0.00 52.55 49.83 2dax s ASP 34 Cb 0.02 -2.49 -0.25 0.00 -1.46 0.00 0.00 42.92 38.74 2dax s ASP 34 CO 0.72 -1.24 1.12 1.56 0.52 0.00 0.00 175.17 177.85 2dax h GLN 35 N 9.07 0.56 -0.08 4.34 1.08 -1.88 -3.33 115.11 124.87 2dax h GLN 35 Ca 0.20 -0.65 0.04 0.00 -1.45 0.00 0.00 58.65 56.79 2dax h GLN 35 Cb 1.00 0.20 -0.05 0.00 -0.05 0.00 0.00 27.48 28.57 2dax h GLN 35 CO 1.28 1.26 -0.27 1.25 -0.95 0.00 0.00 178.83 181.40 2dax h LEU 36 N 0.15 -0.82 -0.66 1.46 7.12 -1.97 -2.22 115.31 118.37 2dax h LEU 36 Ca -0.13 0.12 0.06 0.00 0.13 0.00 0.00 57.88 58.07 2dax h LEU 36 Cb 1.61 0.35 -0.09 0.00 -0.53 0.00 0.00 40.66 42.00 2dax h LEU 36 CO 0.18 -0.32 -0.47 0.00 -0.13 0.00 0.00 178.44 177.70 2dax h ALA 37 N 0.50 -0.52 -0.18 1.25 0.00 -1.85 0.24 119.26 118.70 2dax h ALA 37 Ca 0.08 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2dax h ALA 37 Cb 0.49 1.23 -0.07 0.00 0.00 0.00 0.00 17.79 19.44 2dax h ALA 37 CO -0.29 -0.82 -0.42 0.28 0.00 0.00 0.00 179.25 178.00 2dax h VAL 38 N -0.10 0.14 -0.97 0.00 2.07 -1.61 -0.35 116.25 115.44 2dax h VAL 38 Ca 0.11 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.83 2dax h VAL 38 Cb 0.38 0.14 -0.11 0.00 -1.52 0.00 0.00 31.29 30.17 2dax h VAL 38 CO -0.67 0.00 0.55 0.00 0.02 0.00 0.00 177.57 177.47 2dax h ALA 39 N 0.17 1.61 -0.71 1.67 0.00 -0.63 0.56 119.26 121.93 2dax h ALA 39 Ca 0.09 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2dax h ALA 39 Cb 0.62 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2dax h ALA 39 CO -0.43 -0.14 0.36 0.93 0.00 0.00 0.00 179.25 179.97 2dax h GLU 40 N 0.66 1.00 -0.17 0.00 4.39 0.11 -2.51 114.58 118.05 2dax h GLU 40 Ca 0.57 -0.14 0.05 0.00 0.34 0.00 0.00 59.36 60.18 2dax h GLU 40 Cb 0.95 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 29.37 2dax h GLU 40 CO -0.42 0.78 -0.15 1.25 -1.16 0.00 0.00 179.01 179.31 2dax h LEU 41 N 0.98 -0.47 -0.05 1.33 5.85 0.27 0.20 115.31 123.42 2dax h LEU 41 Ca 0.24 0.09 0.03 0.00 0.84 0.00 0.00 57.88 59.08 2dax h LEU 41 Cb 0.09 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2dax h LEU 41 CO -0.03 -0.19 -0.11 0.11 -0.34 0.00 0.00 178.44 177.88 2dax h LYS 42 N -0.16 -0.15 -0.75 1.25 6.56 -1.32 -2.31 116.57 119.69 2dax h LYS 42 Ca 0.11 0.01 0.05 0.00 -1.06 0.00 0.00 60.65 59.75 2dax h LYS 42 Cb 0.32 0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 31.96 2dax h LYS 42 CO -0.27 -0.10 0.45 0.22 -2.06 0.00 0.00 179.45 177.70 2dax h ASP 43 N -0.16 0.72 0.02 0.86 3.58 -1.04 -2.67 116.42 117.74 2dax h ASP 43 Ca 0.06 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.55 2dax h ASP 43 Cb 0.24 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.10 2dax h ASP 43 CO -0.15 0.48 -0.38 0.00 -2.88 0.00 0.00 179.24 176.31 2dax h ILE 45 N -0.55 0.07 -0.99 0.00 2.04 -1.17 1.53 117.51 118.44 2dax h ILE 45 Ca 0.05 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.05 2dax h ILE 45 Cb 0.62 0.07 -0.09 0.00 -0.74 0.00 0.00 36.82 36.68 2dax h ILE 45 CO -0.28 0.00 0.62 -0.33 0.00 0.00 0.00 178.15 178.16 2dax h GLU 46 N -0.64 0.86 0.00 2.37 4.39 -1.24 0.21 114.58 120.52 2dax h GLU 46 Ca 0.03 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2dax h GLU 46 Cb 0.70 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2dax h GLU 46 CO -0.33 0.57 -0.03 0.87 -1.16 0.00 0.00 179.01 178.93 2dax h LYS 47 N 0.88 0.00 -6.80 2.33 1.57 0.64 -3.47 116.57 111.72 2dax h LYS 47 Ca 0.51 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.73 2dax h LYS 47 Cb 0.64 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.80 2dax h LYS 47 CO -0.28 0.03 -0.92 1.63 -0.57 0.00 0.00 179.45 179.34 2dax n LYS 48 N -3.11 -2.17 0.00 3.15 5.02 0.51 -4.81 118.16 116.75 2dax n LYS 48 Ca 0.03 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 2dax n LYS 48 Cb 0.52 -4.18 0.00 0.00 -0.02 0.00 0.00 35.03 31.35 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 -4.46 0.00 -4.15 -0.18 5.66 -1.23 -5.00 114.28 104.92 2dax n THR 49 Ca -0.27 -0.12 -0.31 0.00 -3.05 0.00 0.00 64.05 60.30 2dax n THR 49 Cb 0.67 0.57 -0.06 0.00 -1.55 0.00 0.00 70.33 69.96 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 -1.08 -1.61 -0.06 1.09 2.81 -1.26 -4.84 117.12 112.16 2dax n MET 50 Ca 0.00 0.20 -0.06 0.00 -1.81 0.00 0.00 57.70 56.03 2dax n MET 50 Cb 0.00 -3.78 -0.09 0.00 -0.71 0.00 0.00 33.22 28.63 2dax n MET 50 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2dax n GLU 51 N -4.57 2.02 0.00 0.03 0.28 -1.26 -4.88 120.64 112.26 2dax n GLU 51 Ca -0.29 -0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.70 2dax n GLU 51 Cb 0.68 -1.31 0.00 0.00 1.43 0.00 0.00 31.44 32.24 2dax n GLU 51 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dax n GLY 52 N 2.27 -2.04 3.26 -1.84 0.00 -1.26 -4.68 105.19 100.89 2dax n GLY 52 Ca -0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.88 0.11 1.61 5.12 -1.26 -4.73 116.66 116.63 2dax n ARG 53 Ca 0.00 0.07 -0.24 0.00 -1.93 0.00 0.00 57.85 55.75 2dax n ARG 53 Cb 0.00 -2.38 -0.15 0.00 -1.16 0.00 0.00 32.46 28.77 2dax n ARG 53 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2dax h SER 54 N -0.49 0.74 -4.15 0.55 0.87 -1.98 -3.46 113.55 105.64 2dax h SER 54 Ca -0.34 -0.92 -0.69 0.00 -1.23 0.00 0.00 61.79 58.62 2dax h SER 54 Cb 0.76 -0.24 -0.24 0.00 -0.44 0.00 0.00 62.40 62.23 2dax h SER 54 CO 0.46 1.74 -0.84 -0.44 -0.53 0.00 0.00 176.83 177.22 2dax s SER 55 N -7.45 3.48 0.34 6.23 0.01 -1.26 -5.12 113.70 109.92 2dax s SER 55 Ca -0.12 -0.51 -0.25 0.00 1.31 0.00 0.00 55.95 56.38 2dax s SER 55 Cb 0.05 -0.45 -0.10 0.00 0.21 0.00 0.00 66.02 65.73 2dax s SER 55 CO 0.91 0.26 0.95 -0.54 0.41 0.00 0.00 173.24 175.23 2dax s LYS 56 N -1.32 4.52 -0.72 12.44 1.02 -1.26 -4.73 119.74 129.69 2dax s LYS 56 Ca 0.13 1.31 -0.26 0.00 0.02 0.00 0.00 55.97 57.17 2dax s LYS 56 Cb -0.10 -2.71 -0.00 0.00 -0.52 0.00 0.00 37.83 34.50 2dax s LYS 56 CO 0.03 0.22 1.67 0.08 -0.92 0.00 0.00 175.35 176.43 2dax s VAL 57 N -1.69 3.52 -0.25 3.17 1.01 -1.20 -4.82 120.40 120.13 2dax s VAL 57 Ca 0.52 0.11 -0.10 0.00 0.00 0.00 0.00 61.98 62.50 2dax s VAL 57 Cb -0.17 -4.33 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 2dax s VAL 57 CO 0.22 -1.28 0.16 -0.47 0.00 0.00 0.00 175.10 173.73 2dax s TYR 58 N 7.90 3.27 -0.16 5.22 5.04 -1.26 -2.29 117.35 135.06 2dax s TYR 58 Ca 0.56 0.15 -0.08 0.00 -2.44 0.00 0.00 57.07 55.26 2dax s TYR 58 Cb -0.09 -2.30 0.06 0.00 0.35 0.00 0.00 41.96 39.98 2dax s TYR 58 CO 0.14 -0.03 0.37 -0.59 -1.34 0.00 0.00 175.55 174.10 2dax s PHE 59 N 1.29 -0.58 0.10 4.97 -0.71 -0.72 -2.26 117.98 120.07 2dax s PHE 59 Ca 0.07 1.22 -0.09 0.00 -1.04 0.00 0.00 56.93 57.09 2dax s PHE 59 Cb -0.14 0.21 -0.06 0.00 -1.21 0.00 0.00 43.02 41.82 2dax s PHE 59 CO 0.06 -0.35 0.40 0.99 -1.34 0.00 0.00 175.22 174.99 2dax s THR 60 N 1.68 5.10 -0.13 -4.49 2.01 -0.17 -2.07 115.64 117.57 2dax s THR 60 Ca -0.07 0.39 0.02 0.00 0.31 0.00 0.00 61.69 62.34 2dax s THR 60 Cb -0.10 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.79 2dax s THR 60 CO -0.12 0.23 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.22 2dax s ILE 61 N -1.46 1.82 -0.24 1.82 1.01 -1.06 -0.74 121.20 122.35 2dax s ILE 61 Ca 0.35 -0.83 -0.13 0.00 0.00 0.00 0.00 60.65 60.04 2dax s ILE 61 Cb -0.13 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 2dax s ILE 61 CO 0.19 0.50 0.29 0.20 0.00 0.00 0.00 174.94 176.12 2dax s ASN 62 N 0.95 6.24 -0.15 3.58 0.01 0.14 -2.11 114.94 123.59 2dax s ASN 62 Ca -0.05 0.27 -0.01 0.00 -0.71 0.00 0.00 52.86 52.36 2dax s ASN 62 Cb -0.15 -2.17 0.04 0.00 0.41 0.00 0.00 41.25 39.38 2dax s ASN 62 CO -0.03 -0.05 -0.05 -0.04 -1.51 0.00 0.00 177.10 175.42 2dax s MET 63 N 1.44 1.35 0.05 -0.60 -1.94 -1.19 -4.49 119.30 113.91 2dax s MET 63 Ca 0.13 -0.43 -0.26 0.00 -1.71 0.00 0.00 55.69 53.42 2dax s MET 63 Cb -0.15 -1.87 -0.05 0.00 2.01 0.00 0.00 34.83 34.77 2dax s MET 63 CO 0.07 -0.41 0.80 0.54 -0.01 0.00 0.00 175.02 176.02 2dax s ASN 64 N 1.68 7.25 0.02 3.03 4.22 -1.26 -2.64 114.94 127.25 2dax s ASN 64 Ca 0.02 1.50 -0.06 0.00 -2.14 0.00 0.00 52.86 52.18 2dax s ASN 64 Cb -0.15 -2.49 -0.01 0.00 1.28 0.00 0.00 41.25 39.89 2dax s ASN 64 CO -0.08 -0.01 0.10 -0.76 -2.04 0.00 0.00 177.10 174.31 2dax s LEU 65 N 0.03 1.74 -1.22 3.54 1.43 -0.84 -4.98 118.68 118.37 2dax s LEU 65 Ca 0.40 -0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 52.91 2dax s LEU 65 Cb -0.21 0.59 -0.01 0.00 0.03 0.00 0.00 46.19 46.59 2dax s LEU 65 CO 0.24 -0.44 1.89 -0.90 0.23 0.00 0.00 176.35 177.37 2dax n ASP 66 N 1.11 3.91 0.00 2.29 5.75 -1.26 -1.09 116.55 127.26 2dax n ASP 66 Ca -0.21 -2.81 0.00 0.00 -0.01 0.00 0.00 54.79 51.76 2dax n ASP 66 Cb 0.57 -1.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.00 2dax n ASP 66 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 2dax n VAL 67 N 6.65 0.00 -3.97 2.12 3.14 -1.10 -4.91 118.33 120.26 2dax n VAL 67 Ca 0.48 1.42 0.01 0.00 -2.96 0.00 0.00 64.34 63.29 2dax n VAL 67 Cb 0.45 -2.19 0.02 0.00 -1.06 0.00 0.00 33.84 31.05 2dax n VAL 67 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2dax n SER 68 N -2.16 -1.34 -3.56 6.55 2.88 -1.15 -5.00 113.62 109.84 2dax n SER 68 Ca 0.00 -1.46 -0.19 0.00 -1.33 0.00 0.00 58.87 55.89 2dax n SER 68 Cb 0.00 2.12 0.06 0.00 -0.75 0.00 0.00 64.21 65.64 2dax n SER 68 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2dax n ASP 69 N -1.13 -1.66 -2.51 -3.46 8.00 -1.26 -1.45 116.55 113.08 2dax n ASP 69 Ca 0.02 -0.72 -0.04 0.00 0.71 0.00 0.00 54.79 54.76 2dax n ASP 69 Cb 0.56 -4.59 -0.00 0.00 -0.02 0.00 0.00 41.12 37.08 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 -4.19 -2.79 -4.29 -1.24 1.02 -1.26 -4.86 120.64 103.03 2dax n GLU 70 Ca -0.29 0.15 -0.17 0.00 -0.02 0.00 0.00 57.16 56.83 2dax n GLU 70 Cb 0.67 -4.68 -0.09 0.00 -0.02 0.00 0.00 31.44 27.32 2dax n GLU 70 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2dax s LYS 71 N -5.04 1.49 0.11 3.49 1.02 -0.53 -5.12 119.74 115.17 2dax s LYS 71 Ca 0.01 -1.83 0.04 0.00 0.02 0.00 0.00 55.97 54.21 2dax s LYS 71 Cb -0.01 0.02 -0.04 0.00 -0.52 0.00 0.00 37.83 37.29 2dax s LYS 71 CO 0.01 -0.44 -0.10 0.00 -0.92 0.00 0.00 175.35 173.90 2dax s MET 72 N -3.89 0.93 0.36 1.68 0.23 -1.26 -2.73 119.30 114.62 2dax s MET 72 Ca 0.37 -1.27 0.04 0.00 -1.03 0.00 0.00 55.69 53.81 2dax s MET 72 Cb 0.06 -0.57 -0.06 0.00 -1.53 0.00 0.00 34.83 32.72 2dax s MET 72 CO 0.17 0.08 0.05 0.00 -2.03 0.00 0.00 175.02 173.29 2dax s ALA 73 N -2.76 2.63 -0.12 3.16 0.00 -0.25 -4.83 121.76 119.59 2dax s ALA 73 Ca 0.10 -1.94 -0.00 0.00 0.00 0.00 0.00 51.96 50.11 2dax s ALA 73 Cb -0.01 0.56 -0.02 0.00 0.00 0.00 0.00 23.12 23.65 2dax s ALA 73 CO 0.00 -0.27 -0.11 -1.64 0.00 0.00 0.00 175.76 173.74 2dax s MET 74 N -3.84 3.33 -0.26 0.00 -1.94 -1.26 -1.98 119.30 113.33 2dax s MET 74 Ca 0.34 -0.65 -0.05 0.00 -1.71 0.00 0.00 55.69 53.62 2dax s MET 74 Cb 0.08 -2.66 0.00 0.00 2.01 0.00 0.00 34.83 34.27 2dax s MET 74 CO 0.15 0.28 0.02 -0.06 -0.01 0.00 0.00 175.02 175.41 2dax s PHE 75 N 0.19 3.08 -0.38 -0.03 0.40 -1.08 -4.79 117.98 115.37 2dax s PHE 75 Ca -0.06 -1.03 -0.22 0.00 -0.60 0.00 0.00 56.93 55.01 2dax s PHE 75 Cb -0.15 -2.18 0.01 0.00 0.51 0.00 0.00 43.02 41.21 2dax s PHE 75 CO 0.04 -0.58 0.73 -1.54 0.70 0.00 0.00 175.22 174.57 2dax s SER 76 N 1.47 6.48 -0.63 1.36 1.04 -1.01 -3.16 113.70 119.25 2dax s SER 76 Ca 0.03 0.19 -0.13 0.00 0.48 0.00 0.00 55.95 56.52 2dax s SER 76 Cb -0.16 -2.37 0.16 0.00 0.10 0.00 0.00 66.02 63.75 2dax s SER 76 CO -0.00 -0.71 0.55 -0.76 0.98 0.00 0.00 173.24 173.30 2dax s LEU 77 N 2.98 6.22 -0.85 2.42 1.02 -0.90 -0.88 118.68 128.69 2dax s LEU 77 Ca 0.28 -2.19 -0.25 0.00 0.02 0.00 0.00 54.13 51.99 2dax s LEU 77 Cb -0.14 -2.15 -0.01 0.00 0.02 0.00 0.00 46.19 43.92 2dax s LEU 77 CO 0.17 -0.70 1.71 0.00 0.02 0.00 0.00 176.35 177.55 2dax s ALA 78 N 0.96 2.19 0.05 4.21 0.00 -0.64 -2.56 121.76 125.96 2dax s ALA 78 Ca 0.09 -1.49 -0.17 0.00 0.00 0.00 0.00 51.96 50.39 2dax s ALA 78 Cb -0.22 -4.45 -0.06 0.00 0.00 0.00 0.00 23.12 18.39 2dax s ALA 78 CO -0.02 -4.09 0.49 0.00 0.00 0.00 0.00 175.76 172.14 2dax s ILE 80 N -1.12 -0.12 -0.25 0.00 1.01 -1.23 -1.75 121.20 117.73 2dax s ILE 80 Ca 0.27 0.16 -0.22 0.00 0.00 0.00 0.00 60.65 60.87 2dax s ILE 80 Cb -0.18 -0.36 -0.01 0.00 0.01 0.00 0.00 42.46 41.92 2dax s ILE 80 CO 0.17 -0.03 0.69 -0.76 0.00 0.00 0.00 174.94 175.01 2dax s LEU 81 N 2.18 4.07 0.00 2.97 1.43 -0.97 -1.33 118.68 127.02 2dax s LEU 81 Ca 0.04 0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 53.82 2dax s LEU 81 Cb -0.14 -2.95 0.16 0.00 0.03 0.00 0.00 46.19 43.29 2dax s LEU 81 CO -0.06 -0.42 0.59 -0.81 0.23 0.00 0.00 176.35 175.88 2dax n PRO 82 N 5.81 -2.18 -1.09 1.29 -0.04 -1.26 -3.28 135.00 134.26 2dax n PRO 82 Ca 0.01 -0.94 -0.15 0.00 -0.04 0.00 0.00 63.50 62.38 2dax n PRO 82 Cb 0.48 -0.88 0.23 0.00 -0.04 0.00 0.00 33.50 33.29 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 -3.78 2.69 0.00 0.54 3.72 -1.26 -4.24 117.46 115.13 2dax n PHE 83 Ca 0.08 -1.50 0.00 0.00 -0.05 0.00 0.00 57.45 55.99 2dax n PHE 83 Cb 0.32 -0.81 0.00 0.00 -0.94 0.00 0.00 39.48 38.05 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 -0.63 0.16 -0.57 -1.08 5.02 -1.26 -5.08 118.16 114.73 2dax n LYS 84 Ca 0.49 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.59 2dax n LYS 84 Cb 1.50 -0.78 -0.01 0.00 -0.02 0.00 0.00 35.03 35.72 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 -2.02 -0.34 0.54 2.13 9.36 -1.25 -1.32 117.16 124.26 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 0.28 -0.80 0.32 0.00 -0.63 0.00 0.00 39.34 38.52 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 0.45 0.05 0.00 2.98 -0.04 -1.26 -4.80 135.00 132.37 2dax n PRO 86 Ca 0.07 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 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 -1.44 0.00 -2.86 0.55 0.00 -0.43 -4.10 120.51 112.22 2dax n ALA 87 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.13 2dax n ALA 87 Cb 0.15 0.20 -0.11 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.92 4.65 0.92 0.00 -7.23 -1.26 -4.73 120.40 110.82 2dax s VAL 88 Ca 0.00 -0.08 -0.15 0.00 -1.81 0.00 0.00 61.98 59.94 2dax s VAL 88 Cb 0.00 -3.11 -0.06 0.00 0.56 0.00 0.00 36.38 33.77 2dax s VAL 88 CO 0.00 0.42 -0.10 0.18 -0.31 0.00 0.00 175.10 175.30 2dax n LEU 89 N 3.92 -2.63 -4.58 1.32 4.77 -1.26 -3.87 117.00 114.68 2dax n LEU 89 Ca -0.16 0.32 -0.30 0.00 -0.03 0.00 0.00 56.01 55.83 2dax n LEU 89 Cb 0.52 -1.01 0.25 0.00 -2.33 0.00 0.00 43.42 40.85 2dax n LEU 89 CO 0.34 -4.61 0.62 -2.16 -1.33 0.00 0.00 177.39 170.25 2dax s PRO 90 N -2.72 -1.41 -0.64 3.23 0.04 -1.26 -4.79 135.00 127.44 2dax s PRO 90 Ca 0.51 -0.13 0.06 0.00 0.04 0.00 0.00 61.00 61.48 2dax s PRO 90 Cb -0.23 -1.58 0.26 0.00 0.04 0.00 0.00 34.50 32.99 2dax s PRO 90 CO 0.72 -3.83 0.78 0.39 0.04 0.00 0.00 177.00 175.11 2dax n GLU 91 N -4.83 2.64 -2.51 4.56 -0.58 -0.44 -4.97 120.64 114.50 2dax n GLU 91 Ca 0.14 -4.70 -0.42 0.00 -0.42 0.00 0.00 57.16 51.76 2dax n GLU 91 Cb 0.60 -2.26 -0.03 0.00 -0.57 0.00 0.00 31.44 29.17 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 -2.71 4.18 -0.36 -3.67 1.01 -1.26 -3.51 121.20 114.89 2dax s ILE 92 Ca 0.41 1.64 0.02 0.00 0.00 0.00 0.00 60.65 62.72 2dax s ILE 92 Cb 0.16 -4.05 0.11 0.00 0.01 0.00 0.00 42.46 38.69 2dax s ILE 92 CO -0.02 0.17 0.10 -0.89 0.00 0.00 0.00 174.94 174.30 2dax s THR 93 N 0.68 1.75 0.11 2.92 2.01 0.29 -4.94 115.64 118.46 2dax s THR 93 Ca 0.55 -2.14 -0.30 0.00 0.31 0.00 0.00 61.69 60.10 2dax s THR 93 Cb -0.27 -2.28 -0.07 0.00 0.01 0.00 0.00 72.50 69.88 2dax s THR 93 CO 0.30 -0.67 1.20 -0.69 -0.69 0.00 0.00 174.62 174.07 2dax s VAL 94 N 0.98 3.83 0.12 3.82 1.01 -1.26 -1.62 120.40 127.27 2dax s VAL 94 Ca 0.12 1.40 0.05 0.00 0.00 0.00 0.00 61.98 63.54 2dax s VAL 94 Cb -0.20 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2dax s VAL 94 CO -0.12 0.16 -0.13 -0.13 0.00 0.00 0.00 175.10 174.88 2dax s ARG 95 N 0.54 0.97 -0.30 2.72 1.81 -0.06 -4.81 118.95 119.82 2dax s ARG 95 Ca 0.56 -1.23 -0.16 0.00 -1.72 0.00 0.00 55.73 53.19 2dax s ARG 95 Cb -0.31 -0.77 0.17 0.00 -0.45 0.00 0.00 34.95 33.58 2dax s ARG 95 CO 0.32 0.14 1.04 0.45 -0.68 0.00 0.00 175.30 176.57 2dax s SER 96 N -2.50 -0.45 0.32 0.23 0.15 -1.26 -2.39 113.70 107.80 2dax s SER 96 Ca 0.08 0.66 0.03 0.00 0.70 0.00 0.00 55.95 57.42 2dax s SER 96 Cb -0.04 1.39 0.63 0.00 -1.71 0.00 0.00 66.02 66.29 2dax s SER 96 CO 0.02 -0.10 1.91 1.62 1.20 0.00 0.00 173.24 177.89 2dax h VAL 97 N 5.25 1.01 -0.27 4.45 3.04 -2.01 -2.11 116.25 125.60 2dax h VAL 97 Ca -0.20 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 2dax h VAL 97 Cb 1.14 0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 2dax h VAL 97 CO 0.13 0.17 0.17 -0.07 -1.01 0.00 0.00 177.57 176.96 2dax h LEU 98 N 0.91 0.32-10.16 3.16 3.38 -1.96 -3.43 115.31 107.53 2dax h LEU 98 Ca 0.39 -0.03 -0.55 0.00 0.09 0.00 0.00 57.88 57.78 2dax h LEU 98 Cb 0.32 -0.08 0.17 0.00 0.09 0.00 0.00 40.66 41.17 2dax h LEU 98 CO -0.16 0.26 0.41 0.18 0.09 0.00 0.00 178.44 179.22 2dax n LEU 99 N -4.88 5.11 -4.99 1.67 4.77 -0.79 -4.92 117.00 112.97 2dax n LEU 99 Ca -0.02 0.68 -0.22 0.00 -0.03 0.00 0.00 56.01 56.43 2dax n LEU 99 Cb 0.04 -1.53 0.07 0.00 -2.33 0.00 0.00 43.42 39.67 2dax n LEU 99 CO 0.34 -1.40 0.43 -0.44 -1.33 0.00 0.00 177.39 174.99 2dax s SER 100 N -1.82 4.86 0.22 -1.43 0.01 -1.26 -4.83 113.70 109.44 2dax s SER 100 Ca 0.77 -0.34 -0.09 0.00 1.31 0.00 0.00 55.95 57.61 2dax s SER 100 Cb -0.33 -0.28 0.23 0.00 0.21 0.00 0.00 66.02 65.86 2dax s SER 100 CO 0.46 -1.47 1.85 0.03 0.41 0.00 0.00 173.24 174.53 2dax h ARG 101 N -0.13 0.88 0.19 12.44 -0.00 -1.96 -1.35 114.38 124.44 2dax h ARG 101 Ca -0.37 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.98 59.04 2dax h ARG 101 Cb 1.28 -0.20 0.00 0.00 0.00 0.00 0.00 29.97 31.05 2dax h ARG 101 CO 0.44 0.58 -0.09 0.77 0.00 0.00 0.00 179.97 181.67 2dax h SER 102 N 0.91 -0.22 -0.36 7.04 0.02 -2.00 -3.21 113.55 115.72 2dax h SER 102 Ca 0.31 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.30 2dax h SER 102 Cb 0.06 0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.60 2dax h SER 102 CO -0.13 0.18 -0.27 1.56 -1.14 0.00 0.00 176.83 177.03 2dax h GLN 103 N -0.94 -0.07 -0.99 3.45 4.20 -1.95 -0.25 115.11 118.56 2dax h GLN 103 Ca -0.03 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.85 2dax h GLN 103 Cb 0.20 0.02 -0.17 0.00 0.30 0.00 0.00 27.48 27.83 2dax h GLN 103 CO 0.04 -0.05 -0.35 0.94 -0.67 0.00 0.00 178.83 178.74 2dax n GLN 104 N -4.03 -0.19 0.02 1.46 -0.06 -0.51 -1.12 117.38 112.94 2dax n GLN 104 Ca -0.00 1.53 -0.11 0.00 -2.00 0.00 0.00 57.00 56.42 2dax n GLN 104 Cb 0.14 -2.27 -0.07 0.00 -4.06 0.00 0.00 30.24 23.98 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 -0.94 1.69 2.02 -1.06 -1.68 112.91 112.94 2dax h THR 105 Ca 0.38 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.73 2dax h THR 105 Cb 0.63 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.87 2dax h THR 105 CO -0.99 0.00 -0.31 -0.61 0.37 0.00 0.00 175.52 173.98 2dax h GLN 106 N -0.45 -0.01 0.15 6.66 5.75 -0.39 0.11 115.11 126.94 2dax h GLN 106 Ca 0.01 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.53 2dax h GLN 106 Cb 0.49 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.00 2dax h GLN 106 CO -0.27 -0.01 -0.47 1.25 -2.65 0.00 0.00 178.83 176.68 2dax h LEU 107 N -0.01 -1.38 -0.90 -2.39 6.46 -0.80 -0.06 115.31 116.23 2dax h LEU 107 Ca 0.39 0.15 0.19 0.00 -0.12 0.00 0.00 57.88 58.49 2dax h LEU 107 Cb 0.64 0.51 -0.17 0.00 -0.73 0.00 0.00 40.66 40.91 2dax h LEU 107 CO -0.96 -0.53 -0.17 0.78 -0.62 0.00 0.00 178.44 176.94 2dax h ASN 108 N -0.72 -0.75 -0.16 1.25 2.35 -0.10 0.31 115.58 117.75 2dax h ASN 108 Ca 0.01 0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 2dax h ASN 108 Cb 0.73 0.53 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 2dax h ASN 108 CO -0.25 -0.30 0.06 0.74 -1.65 0.00 0.00 177.43 176.04 2dax h THR 109 N 0.01 1.16 0.69 2.81 2.02 -0.81 -3.08 112.91 115.71 2dax h THR 109 Ca 0.45 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 2dax h THR 109 Cb 0.74 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2dax h THR 109 CO -0.91 0.15 -0.50 0.44 0.37 0.00 0.00 175.52 175.08 2dax h ASP 110 N 0.10 -1.31 -0.82 4.18 3.32 0.13 -2.61 116.42 119.41 2dax h ASP 110 Ca 0.05 0.09 0.10 0.00 0.02 0.00 0.00 57.03 57.29 2dax h ASP 110 Cb 0.19 0.40 -0.11 0.00 0.22 0.00 0.00 39.33 40.03 2dax h ASP 110 CO -0.00 -0.73 -0.41 -0.11 -1.72 0.00 0.00 179.24 176.27 2dax n LEU 111 N -5.61 -0.73 -0.03 1.55 7.94 0.75 0.12 117.00 121.00 2dax n LEU 111 Ca -0.14 1.45 -0.09 0.00 -1.11 0.00 0.00 56.01 56.12 2dax n LEU 111 Cb 0.49 -0.25 -0.03 0.00 0.53 0.00 0.00 43.42 44.16 2dax n LEU 111 CO 0.32 -1.23 0.68 0.74 -1.11 0.00 0.00 177.39 176.78 2dax h THR 112 N 0.00 0.35 -0.86 1.96 2.02 -1.43 -2.50 112.91 112.45 2dax h THR 112 Ca 0.20 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.48 2dax h THR 112 Cb 0.40 0.35 -0.12 0.00 -1.74 0.00 0.00 68.15 67.04 2dax h THR 112 CO -0.79 0.00 -0.50 0.00 0.37 0.00 0.00 175.52 174.60 2dax h ALA 113 N 0.65 -0.33 -0.95 6.16 0.00 0.07 0.16 119.26 125.02 2dax h ALA 113 Ca 0.12 0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.30 2dax h ALA 113 Cb 0.49 1.17 -0.13 0.00 0.00 0.00 0.00 17.79 19.32 2dax h ALA 113 CO -0.37 -0.85 -0.46 0.34 0.00 0.00 0.00 179.25 177.91 2dax n PHE 114 N -5.36 -0.19 0.21 0.00 7.35 -0.92 -0.83 117.46 117.73 2dax n PHE 114 Ca 0.04 1.17 -0.15 0.00 -0.76 0.00 0.00 57.45 57.75 2dax n PHE 114 Cb 0.32 -0.72 -0.08 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 -0.41 -1.43 -2.13 3.38 -1.05 0.13 115.31 113.79 2dax h LEU 115 Ca 0.24 -0.03 0.44 0.00 0.09 0.00 0.00 57.88 58.62 2dax h LEU 115 Cb 0.48 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.25 2dax h LEU 115 CO -0.91 -0.23 1.00 0.00 0.09 0.00 0.00 178.44 178.38 2dax n GLN 116 N -5.27 -0.01 -0.05 1.13 6.02 -0.01 0.14 117.38 119.33 2dax n GLN 116 Ca -0.10 0.93 -0.05 0.00 -0.01 0.00 0.00 57.00 57.76 2dax n GLN 116 Cb 0.23 -2.02 -0.02 0.00 1.02 0.00 0.00 30.24 29.46 2dax n GLN 116 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2dax n LYS 117 N -3.82 0.30 -0.08 -1.09 4.81 -0.89 -4.35 118.16 113.03 2dax n LYS 117 Ca 0.35 0.15 -0.06 0.00 -0.87 0.00 0.00 58.31 57.87 2dax n LYS 117 Cb 1.51 -1.06 -0.00 0.00 0.02 0.00 0.00 35.03 35.50 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 -0.58 -0.41 -3.76 5.64 3.86 0.09 -3.36 115.15 116.63 2dax h HIS 118 Ca 0.00 0.04 -0.66 0.00 -1.16 0.00 0.00 60.37 58.59 2dax h HIS 118 Cb 0.55 0.23 -0.38 0.00 1.06 0.00 0.00 27.41 28.87 2dax h HIS 118 CO -0.24 -0.24 -0.76 0.00 0.86 0.00 0.00 177.93 177.55 2dax n HIS 120 N 4.39 1.09 0.00 0.00 -0.00 -1.25 -3.76 115.22 115.70 2dax n HIS 120 Ca -0.06 -3.78 0.00 0.00 -0.00 0.00 0.00 57.72 53.88 2dax n HIS 120 Cb 0.42 -0.20 0.00 0.00 -0.00 0.00 0.00 29.99 30.21 2dax n HIS 120 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2dax n GLY 121 N 2.21 2.00 3.45 1.57 0.00 -1.26 -5.11 105.19 108.05 2dax n GLY 121 Ca 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.14 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 0.68 -0.31 1.61 1.01 -1.26 -4.87 116.67 111.53 2dax s ASP 122 Ca 0.00 -1.39 -0.09 0.00 0.71 0.00 0.00 52.55 51.78 2dax s ASP 122 Cb 0.00 0.60 -0.00 0.00 1.01 0.00 0.00 42.92 44.53 2dax s ASP 122 CO 0.00 -1.19 0.14 0.68 0.21 0.00 0.00 175.17 175.01 2dax s VAL 123 N -3.42 4.45 -0.30 -1.27 -7.23 -1.26 -4.74 120.40 106.64 2dax s VAL 123 Ca 0.31 -0.51 0.01 0.00 -1.81 0.00 0.00 61.98 59.98 2dax s VAL 123 Cb 0.01 -3.29 0.19 0.00 0.56 0.00 0.00 36.38 33.85 2dax s VAL 123 CO 0.18 0.05 0.63 0.00 -0.31 0.00 0.00 175.10 175.64 2dax n ILE 125 N 5.42 1.62 -0.16 0.00 2.08 -1.26 -4.39 119.36 122.66 2dax n ILE 125 Ca 0.01 -0.44 -0.02 0.00 0.56 0.00 0.00 62.75 62.87 2dax n ILE 125 Cb 0.52 -1.77 0.07 0.00 -0.75 0.00 0.00 39.64 37.71 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 -0.39 -0.06 -1.86 1.39 3.38 -1.98 0.49 115.31 116.28 2dax h LEU 126 Ca -0.49 0.10 0.40 0.00 0.09 0.00 0.00 57.88 57.98 2dax h LEU 126 Cb 1.75 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 42.60 2dax h LEU 126 CO -0.11 -0.01 1.07 -1.13 0.09 0.00 0.00 178.44 178.36 2dax h ASN 127 N 0.20 0.00 0.10 -0.43 -0.00 -2.00 0.44 115.58 113.89 2dax h ASN 127 Ca 0.26 0.00 -0.20 0.00 -0.00 0.00 0.00 56.30 56.36 2dax h ASN 127 Cb 0.36 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.69 2dax h ASN 127 CO -0.36 0.00 -0.96 0.00 -0.00 0.00 0.00 177.43 176.11 2dax h ALA 128 N 1.15 0.04 0.00 1.57 0.00 -1.13 -3.21 119.26 117.69 2dax h ALA 128 Ca 0.65 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2dax h ALA 128 Cb 2.79 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 20.85 2dax h ALA 128 CO -0.01 0.51 -0.04 1.79 0.00 0.00 0.00 179.25 181.50 2dax h THR 129 N -0.47 0.74 0.00 0.00 1.35 0.06 -0.03 112.91 114.56 2dax h THR 129 Ca -0.20 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 2dax h THR 129 Cb 1.58 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 2dax h THR 129 CO 0.07 0.04 -0.12 -0.33 -0.25 0.00 0.00 175.52 174.94 2dax h GLU 130 N 0.00 0.00 0.00 4.72 4.39 -1.07 -2.64 114.58 119.99 2dax h GLU 130 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2dax h GLU 130 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2dax h GLU 130 CO 0.01 0.00 -0.97 1.87 -1.16 0.00 0.00 179.01 178.75 2dax n TRP 131 N -2.73 0.31 -0.09 4.33 -0.00 -0.11 -4.35 117.44 114.80 2dax n TRP 131 Ca 0.04 0.09 -0.11 0.00 -0.00 0.00 0.00 57.50 57.52 2dax n TRP 131 Cb 0.49 -0.47 -0.04 0.00 -0.00 0.00 0.00 31.31 31.29 2dax n TRP 131 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2dax n VAL 132 N -1.99 1.47 -0.57 5.87 0.31 -0.72 -3.17 118.33 119.54 2dax n VAL 132 Ca 0.02 0.10 0.43 0.00 -0.01 0.00 0.00 64.34 64.88 2dax n VAL 132 Cb 0.44 -2.28 0.67 0.00 -0.91 0.00 0.00 33.84 31.76 2dax n VAL 132 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2dax n ARG 133 N -4.51 0.00 -0.09 5.55 1.85 -1.00 0.12 116.66 118.58 2dax n ARG 133 Ca -0.18 0.91 -0.14 0.00 -1.00 0.00 0.00 57.85 57.44 2dax n ARG 133 Cb 0.47 -2.11 -0.07 0.00 -1.05 0.00 0.00 32.46 29.70 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 -3.56 0.51 0.26 2.89 2.13 -1.26 -4.22 120.64 117.40 2dax n GLU 134 Ca 0.36 0.53 -0.15 0.00 0.66 0.00 0.00 57.16 58.56 2dax n GLU 134 Cb 1.67 -1.71 -0.08 0.00 0.27 0.00 0.00 31.44 31.59 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 -0.60 -0.14 4.31 3.86 -0.31 -2.86 115.15 118.41 2dax h HIS 135 Ca -0.20 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.01 2dax h HIS 135 Cb 0.96 0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.61 2dax h HIS 135 CO -0.06 -0.31 -0.08 0.00 0.86 0.00 0.00 177.93 178.34 2dax n ALA 136 N -2.46 -0.09 -0.32 2.45 0.00 0.32 0.17 120.51 120.57 2dax n ALA 136 Ca -0.11 0.12 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2dax n ALA 136 Cb 0.30 0.26 0.39 0.00 0.00 0.00 0.00 19.45 20.40 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 0.66 -0.38 0.00 0.02 -1.73 -1.10 113.55 111.03 2dax h SER 137 Ca 0.02 0.08 0.05 0.00 -0.84 0.00 0.00 61.79 61.10 2dax h SER 137 Cb 0.06 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 2dax h SER 137 CO -0.13 0.24 0.09 1.23 -1.14 0.00 0.00 176.83 177.12 2dax h GLY 138 N 0.65 0.45 0.70 -3.77 0.00 0.19 -2.82 103.07 98.47 2dax h GLY 138 Ca 0.55 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.85 2dax h GLY 138 CO -0.31 -0.02 -0.21 -0.97 0.00 0.00 0.00 176.54 175.03 2dax h TYR 139 N 0.22 -0.54 -0.81 5.60 0.05 0.14 -3.42 116.97 118.21 2dax h TYR 139 Ca 0.18 0.01 -0.79 0.00 0.05 0.00 0.00 58.73 58.17 2dax h TYR 139 Cb 0.20 0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 2dax h TYR 139 CO -0.18 -0.30 1.02 0.28 -1.05 0.00 0.00 178.16 177.92 2dax n VAL 140 N -5.33 0.09 -1.87 -2.88 0.31 -1.07 -4.82 118.33 102.75 2dax n VAL 140 Ca -0.07 -0.04 -0.07 0.00 -0.01 0.00 0.00 64.34 64.14 2dax n VAL 140 Cb 0.24 -0.78 0.11 0.00 -0.91 0.00 0.00 33.84 32.50 2dax n VAL 140 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2dax n SER 141 N 6.06 3.05 -4.16 4.52 7.64 -1.26 -4.97 113.62 124.51 2dax n SER 141 Ca 0.39 -3.67 -0.37 0.00 1.01 0.00 0.00 58.87 56.22 2dax n SER 141 Cb 0.02 -0.44 -0.11 0.00 -1.01 0.00 0.00 64.21 62.67 2dax n SER 141 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2dax s ARG 142 N -3.26 2.18 -0.72 1.43 3.52 -1.26 -4.96 118.95 115.87 2dax s ARG 142 Ca 0.43 -1.74 -0.01 0.00 -0.13 0.00 0.00 55.73 54.28 2dax s ARG 142 Cb 0.39 -3.64 0.39 0.00 -1.56 0.00 0.00 34.95 30.53 2dax s ARG 142 CO -0.03 -1.06 1.88 -0.40 -0.81 0.00 0.00 175.30 174.89 2dax n ASP 143 N 4.69 7.12 -4.32 -2.12 5.75 -1.26 -4.85 116.55 121.56 2dax n ASP 143 Ca -0.05 -3.81 -0.26 0.00 -0.01 0.00 0.00 54.79 50.67 2dax n ASP 143 Cb 0.41 -0.93 -0.13 0.00 -1.03 0.00 0.00 41.12 39.45 2dax n ASP 143 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2dax s THR 144 N -5.03 1.89 0.02 2.12 -1.32 -1.26 -4.91 115.64 107.15 2dax s THR 144 Ca 0.55 -1.61 0.01 0.00 -1.21 0.00 0.00 61.69 59.43 2dax s THR 144 Cb 0.45 -1.70 -0.01 0.00 -1.51 0.00 0.00 72.50 69.73 2dax s THR 144 CO -0.25 -0.01 -0.04 -0.94 -2.21 0.00 0.00 174.62 171.18 2dax s SER 145 N -1.94 0.36 0.13 8.08 1.04 -1.26 -5.01 113.70 115.09 2dax s SER 145 Ca 0.09 -0.34 0.09 0.00 0.48 0.00 0.00 55.95 56.27 2dax s SER 145 Cb -0.10 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 2dax s SER 145 CO 0.05 -0.16 -0.17 -0.44 0.98 0.00 0.00 173.24 173.50 2dax s SER 146 N -0.96 3.94 -0.07 7.02 0.01 -1.26 -5.13 113.70 117.25 2dax s SER 146 Ca -0.09 -0.58 -0.31 0.00 1.31 0.00 0.00 55.95 56.29 2dax s SER 146 Cb -0.07 -0.57 0.11 0.00 0.21 0.00 0.00 66.02 65.71 2dax s SER 146 CO -0.00 0.16 0.99 -0.44 0.41 0.00 0.00 173.24 174.35 2dax s SER 147 N -2.29 -0.30 0.00 2.44 0.01 -1.26 -5.18 113.70 107.13 2dax s SER 147 Ca 0.19 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.48 2dax s SER 147 Cb -0.10 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.44 2dax s SER 147 CO 0.11 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.88 2dax n GLY 148 N -0.14 1.32 0.00 3.44 0.00 -1.26 -5.00 105.19 103.54 2dax n GLY 148 Ca -0.06 0.34 0.07 0.00 0.00 0.00 0.00 46.02 46.37 2dax n GLY 148 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dax n PRO 149 N 0.00 0.21 -2.05 1.61 -0.04 -1.26 -4.80 135.00 128.67 2dax n PRO 149 Ca 0.00 0.14 -0.41 0.00 -0.04 0.00 0.00 63.50 63.20 2dax n PRO 149 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 2dax n PRO 149 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dax s SER 150 N -2.57 6.69 -0.24 3.54 0.15 -1.26 -4.96 113.70 115.05 2dax s SER 150 Ca 0.14 2.76 -0.12 0.00 0.70 0.00 0.00 55.95 59.43 2dax s SER 150 Cb 0.10 -2.65 -0.11 0.00 -1.71 0.00 0.00 66.02 61.65 2dax s SER 150 CO 0.22 -0.60 -0.31 -1.20 1.20 0.00 0.00 173.24 172.55 2dax n SER 151 N 0.80 1.71 0.00 5.45 7.64 -1.26 -5.22 113.62 122.74 2dax n SER 151 Ca 0.00 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.17 2dax n SER 151 Cb 0.41 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 2dax n SER 151 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64