#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpt n SER 2 N 0.00 1.03 -4.84 1.61 7.64 -1.26 -5.06 113.62 112.74 2cpt n SER 2 Ca 0.00 0.13 -0.33 0.00 1.01 0.00 0.00 58.87 59.68 2cpt n SER 2 Cb 0.00 -0.32 -0.06 0.00 -1.01 0.00 0.00 64.21 62.82 2cpt n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cpt s SER 3 N -5.88 6.85 0.00 6.43 0.01 -1.26 -4.76 113.70 115.09 2cpt s SER 3 Ca -0.02 1.36 0.00 0.00 1.31 0.00 0.00 55.95 58.60 2cpt s SER 3 Cb 0.00 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.83 2cpt s SER 3 CO 0.03 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2cpt n GLY 4 N -0.22 0.76 3.71 3.44 0.00 -1.26 -5.08 105.19 106.53 2cpt n GLY 4 Ca 0.03 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 2cpt n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cpt s SER 5 N -4.00 7.04 -0.03 1.61 0.15 -1.26 -5.05 113.70 112.15 2cpt s SER 5 Ca 0.00 1.25 0.01 0.00 0.70 0.00 0.00 55.95 57.91 2cpt s SER 5 Cb 0.00 -2.44 0.03 0.00 -1.71 0.00 0.00 66.02 61.90 2cpt s SER 5 CO 0.00 -0.17 -0.01 -0.94 1.20 0.00 0.00 173.24 173.32 2cpt s SER 6 N 0.87 0.62 0.00 5.45 1.04 -1.26 -5.04 113.70 115.38 2cpt s SER 6 Ca 0.40 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.77 2cpt s SER 6 Cb -0.18 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.65 2cpt s SER 6 CO 0.19 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.93 2cpt n GLY 7 N 4.15 0.34 2.88 7.32 0.00 -1.26 -5.13 105.19 113.51 2cpt n GLY 7 Ca -0.25 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.70 2cpt n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2cpt s MET 8 N -0.70 0.07 0.04 1.61 1.00 -1.26 -5.03 119.30 115.03 2cpt s MET 8 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 55.69 56.21 2cpt s MET 8 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 34.83 34.61 2cpt s MET 8 CO 0.00 -0.26 0.00 0.45 0.00 0.00 0.00 175.02 175.21 2cpt n SER 9 N 4.94 0.10 -4.94 3.03 2.88 -1.26 -5.10 113.62 113.27 2cpt n SER 9 Ca -0.12 0.06 -0.24 0.00 -1.33 0.00 0.00 58.87 57.24 2cpt n SER 9 Cb 0.50 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.98 2cpt n SER 9 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cpt s SER 10 N -5.11 5.93 -0.01 -3.46 1.04 -1.26 -4.99 113.70 105.83 2cpt s SER 10 Ca 0.00 0.40 -0.39 0.00 0.48 0.00 0.00 55.95 56.44 2cpt s SER 10 Cb 0.00 -1.69 -0.18 0.00 0.10 0.00 0.00 66.02 64.25 2cpt s SER 10 CO 0.00 -0.65 1.28 1.07 0.98 0.00 0.00 173.24 175.92 2cpt n THR 11 N -2.08 0.02 -1.17 2.02 5.66 -1.26 -4.82 114.28 112.65 2cpt n THR 11 Ca 0.00 -0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 2cpt n THR 11 Cb 0.57 -0.50 0.04 0.00 -1.55 0.00 0.00 70.33 68.89 2cpt n THR 11 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2cpt n SER 12 N 2.40 -3.53 -0.10 1.09 7.64 -1.26 -4.71 113.62 115.15 2cpt n SER 12 Ca 0.20 0.50 -0.13 0.00 1.01 0.00 0.00 58.87 60.45 2cpt n SER 12 Cb 0.13 -0.94 -0.03 0.00 -1.01 0.00 0.00 64.21 62.35 2cpt n SER 12 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2cpt h PRO 13 N -0.43 0.80 -0.80 1.43 0.13 -2.00 -2.33 132.00 128.80 2cpt h PRO 13 Ca -0.43 -0.42 0.06 0.00 -0.87 0.00 0.00 66.00 64.34 2cpt h PRO 13 Cb 1.37 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.46 2cpt h PRO 13 CO 0.37 1.05 0.48 -2.95 -0.23 0.00 0.00 178.00 176.72 2cpt h ASN 14 N 0.57 0.75 0.50 1.44 7.08 -1.97 -1.95 115.58 122.00 2cpt h ASN 14 Ca 0.05 0.02 -0.02 0.00 -3.08 0.00 0.00 56.30 53.27 2cpt h ASN 14 Cb 0.91 -0.13 0.00 0.00 -2.08 0.00 0.00 38.32 37.02 2cpt h ASN 14 CO 0.08 0.48 -0.24 0.25 -2.08 0.00 0.00 177.43 175.92 2cpt h LEU 15 N 0.88 -0.57 -0.98 6.14 5.85 -1.85 -3.09 115.31 121.69 2cpt h LEU 15 Ca 0.35 -0.01 0.31 0.00 0.84 0.00 0.00 57.88 59.38 2cpt h LEU 15 Cb 0.18 0.15 -0.18 0.00 0.37 0.00 0.00 40.66 41.18 2cpt h LEU 15 CO -0.18 -0.15 0.23 -0.61 -0.34 0.00 0.00 178.44 177.39 2cpt h GLN 16 N -1.15 0.04 -0.78 1.25 5.75 -1.33 0.98 115.11 119.87 2cpt h GLN 16 Ca -0.07 -0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.46 2cpt h GLN 16 Cb 0.54 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.03 2cpt h GLN 16 CO 0.11 0.03 0.50 -0.22 -2.65 0.00 0.00 178.83 176.60 2cpt h LYS 17 N 0.04 0.96 -0.98 1.69 3.64 -1.38 -2.01 116.57 118.53 2cpt h LYS 17 Ca 0.68 -0.06 0.09 0.00 -1.27 0.00 0.00 60.65 60.09 2cpt h LYS 17 Cb 1.55 -0.22 -0.07 0.00 -0.41 0.00 0.00 32.23 33.08 2cpt h LYS 17 CO -0.83 0.63 0.62 0.00 -2.27 0.00 0.00 179.45 177.60 2cpt h ALA 18 N 1.32 1.40 0.40 5.00 0.00 0.11 -1.24 119.26 126.25 2cpt h ALA 18 Ca 0.31 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 2cpt h ALA 18 Cb -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2cpt h ALA 18 CO -0.10 0.32 -0.19 0.82 0.00 0.00 0.00 179.25 180.09 2cpt h ILE 19 N 1.06 0.00 -0.80 0.00 5.03 -1.03 -2.03 117.51 119.74 2cpt h ILE 19 Ca 0.45 -0.17 0.16 0.00 -0.12 0.00 0.00 64.86 65.18 2cpt h ILE 19 Cb 0.30 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 33.94 2cpt h ILE 19 CO -0.21 0.00 -0.22 -0.78 -0.68 0.00 0.00 178.15 176.26 2cpt h ASP 20 N -0.71 -0.80 0.47 1.72 1.82 -1.34 0.48 116.42 118.07 2cpt h ASP 20 Ca -0.06 0.24 -0.01 0.00 -0.39 0.00 0.00 57.03 56.81 2cpt h ASP 20 Cb 0.41 0.51 -0.02 0.00 0.68 0.00 0.00 39.33 40.91 2cpt h ASP 20 CO 0.09 -0.27 -0.50 -0.07 -1.61 0.00 0.00 179.24 176.89 2cpt h LEU 21 N -0.01 -1.37 -0.93 2.28 3.38 -1.27 -0.97 115.31 116.42 2cpt h LEU 21 Ca 0.37 0.11 0.21 0.00 0.09 0.00 0.00 57.88 58.67 2cpt h LEU 21 Cb 0.58 0.45 -0.12 0.00 0.09 0.00 0.00 40.66 41.67 2cpt h LEU 21 CO -0.82 -0.65 0.48 0.00 0.09 0.00 0.00 178.44 177.54 2cpt h ALA 22 N -0.91 1.54 -0.04 1.53 0.00 -0.49 -0.41 119.26 120.47 2cpt h ALA 22 Ca -0.06 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2cpt h ALA 22 Cb 0.85 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2cpt h ALA 22 CO -0.07 -0.24 0.03 1.03 0.00 0.00 0.00 179.25 179.99 2cpt h SER 23 N 0.53 0.05 -0.08 0.00 0.87 -0.38 -3.01 113.55 111.53 2cpt h SER 23 Ca 0.57 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 61.14 2cpt h SER 23 Cb 1.02 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.93 2cpt h SER 23 CO -0.47 0.05 -0.09 0.50 -0.53 0.00 0.00 176.83 176.29 2cpt h LYS 24 N 0.04 -0.12 -0.71 2.24 3.64 0.23 -2.75 116.57 119.14 2cpt h LYS 24 Ca 0.01 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.53 2cpt h LYS 24 Cb 0.01 0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 31.73 2cpt h LYS 24 CO -0.00 -0.08 -0.24 0.00 -2.27 0.00 0.00 179.45 176.86 2cpt n ALA 25 N -2.40 0.02 -0.07 5.00 0.00 -0.59 0.14 120.51 122.61 2cpt n ALA 25 Ca -0.04 0.74 -0.07 0.00 0.00 0.00 0.00 53.44 54.07 2cpt n ALA 25 Cb 0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 19.45 19.21 2cpt n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cpt h ALA 26 N 1.17 0.26 -0.59 0.00 0.00 -1.52 -2.21 119.26 116.37 2cpt h ALA 26 Ca 0.29 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.38 2cpt h ALA 26 Cb 0.47 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.26 2cpt h ALA 26 CO -0.72 -0.40 -0.24 1.96 0.00 0.00 0.00 179.25 179.85 2cpt h GLN 27 N 0.10 -0.09 0.08 0.00 1.08 0.12 0.16 115.11 116.56 2cpt h GLN 27 Ca 0.13 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.35 2cpt h GLN 27 Cb 0.16 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 2cpt h GLN 27 CO -0.21 -0.06 -0.13 0.93 -0.95 0.00 0.00 178.83 178.41 2cpt h GLU 28 N -0.10 -0.25 -0.29 1.46 4.39 -1.03 -1.35 114.58 117.42 2cpt h GLU 28 Ca 0.26 0.02 0.06 0.00 0.34 0.00 0.00 59.36 60.04 2cpt h GLU 28 Cb 0.51 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.15 2cpt h GLU 28 CO -0.65 -0.17 -0.12 0.22 -1.16 0.00 0.00 179.01 177.13 2cpt h ASP 29 N -0.26 -0.42 -0.63 1.42 1.82 -0.64 0.56 116.42 118.27 2cpt h ASP 29 Ca 0.02 0.11 0.08 0.00 -0.39 0.00 0.00 57.03 56.85 2cpt h ASP 29 Cb 0.27 0.24 -0.06 0.00 0.68 0.00 0.00 39.33 40.46 2cpt h ASP 29 CO -0.07 -0.16 0.30 0.50 -1.61 0.00 0.00 179.24 178.20 2cpt h LYS 30 N -0.07 0.52 -0.22 0.28 3.64 -0.48 -1.18 116.57 119.05 2cpt h LYS 30 Ca 0.15 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 2cpt h LYS 30 Cb 0.30 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2cpt h LYS 30 CO -0.34 0.34 -0.24 0.00 -2.27 0.00 0.00 179.45 176.94 2cpt h ALA 31 N 1.38 1.17 0.00 5.00 0.00 -0.35 -3.46 119.26 123.01 2cpt h ALA 31 Ca 0.30 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2cpt h ALA 31 Cb 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2cpt h ALA 31 CO -0.25 0.53 0.00 0.41 0.00 0.00 0.00 179.25 179.94 2cpt n GLY 32 N -0.45 0.02 3.51 0.00 0.00 0.60 -5.10 105.19 103.77 2cpt n GLY 32 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2cpt n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cpt s ASN 33 N -0.02 6.31 -0.19 1.61 0.01 0.16 -4.87 114.94 117.95 2cpt s ASN 33 Ca 0.00 -0.45 -0.18 0.00 -0.71 0.00 0.00 52.86 51.52 2cpt s ASN 33 Cb 0.00 -2.44 -0.21 0.00 0.41 0.00 0.00 41.25 39.02 2cpt s ASN 33 CO 0.00 -1.27 0.25 1.88 -1.51 0.00 0.00 177.10 176.45 2cpt h TYR 34 N 9.36 0.11 -0.97 2.20 -1.99 -1.89 -2.82 116.97 120.97 2cpt h TYR 34 Ca -0.27 -0.08 0.08 0.00 2.00 0.00 0.00 58.73 60.46 2cpt h TYR 34 Cb 1.07 -0.00 -0.07 0.00 2.00 0.00 0.00 36.73 39.73 2cpt h TYR 34 CO 0.92 1.56 0.62 1.05 -0.00 0.00 0.00 178.16 182.31 2cpt h GLU 35 N -0.77 1.05 -0.05 4.88 4.11 -1.91 0.33 114.58 122.21 2cpt h GLU 35 Ca -0.37 -0.06 -0.17 0.00 0.07 0.00 0.00 59.36 58.83 2cpt h GLU 35 Cb 1.46 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 30.49 2cpt h GLU 35 CO -0.15 0.69 -0.62 1.49 0.07 0.00 0.00 179.01 180.49 2cpt h GLU 36 N 1.08 0.51 -0.69 1.06 4.57 -1.98 -3.23 114.58 115.90 2cpt h GLU 36 Ca 0.43 -0.48 0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2cpt h GLU 36 Cb 0.25 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 2cpt h GLU 36 CO -0.18 1.12 0.45 0.00 -1.18 0.00 0.00 179.01 179.22 2cpt h ALA 37 N 0.41 1.51 0.25 2.92 0.00 -1.29 -2.74 119.26 120.32 2cpt h ALA 37 Ca -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2cpt h ALA 37 Cb 1.29 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2cpt h ALA 37 CO 0.13 0.46 -0.18 1.25 0.00 0.00 0.00 179.25 180.91 2cpt h LEU 38 N 0.93 -0.46 -0.74 0.00 5.85 -0.97 0.14 115.31 120.07 2cpt h LEU 38 Ca 0.25 0.03 0.14 0.00 0.84 0.00 0.00 57.88 59.14 2cpt h LEU 38 Cb -0.11 0.14 -0.14 0.00 0.37 0.00 0.00 40.66 40.92 2cpt h LEU 38 CO -0.05 -0.26 -0.26 1.56 -0.34 0.00 0.00 178.44 179.09 2cpt h GLN 39 N -0.41 -0.05 -0.92 1.25 1.08 -1.57 0.39 115.11 114.88 2cpt h GLN 39 Ca -0.03 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.22 2cpt h GLN 39 Cb 0.33 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.71 2cpt h GLN 39 CO 0.02 -0.03 0.59 -0.07 -0.95 0.00 0.00 178.83 178.39 2cpt h LEU 40 N -0.05 0.95 -0.52 1.46 3.38 -1.38 0.18 115.31 119.32 2cpt h LEU 40 Ca 0.33 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.27 2cpt h LEU 40 Cb 0.56 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2cpt h LEU 40 CO -0.78 0.62 0.18 1.88 0.09 0.00 0.00 178.44 180.44 2cpt h TYR 41 N 1.09 0.81 0.00 1.13 0.05 0.25 -2.15 116.97 118.16 2cpt h TYR 41 Ca 0.39 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 59.10 2cpt h TYR 41 Cb 0.11 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 37.61 2cpt h TYR 41 CO -0.02 0.69 -0.00 1.96 -1.05 0.00 0.00 178.16 179.74 2cpt h GLN 42 N 0.70 -0.00 -0.17 4.88 4.20 -0.21 -3.24 115.11 121.28 2cpt h GLN 42 Ca 0.17 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.93 2cpt h GLN 42 Cb 0.24 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.95 2cpt h GLN 42 CO -0.01 0.41 -0.41 0.45 -0.67 0.00 0.00 178.83 178.60 2cpt h HIS 43 N -0.42 -1.17 -1.00 2.96 3.86 -0.63 -1.58 115.15 117.18 2cpt h HIS 43 Ca -0.00 0.05 0.19 0.00 -1.16 0.00 0.00 60.37 59.45 2cpt h HIS 43 Cb 0.42 0.54 -0.18 0.00 1.06 0.00 0.00 27.41 29.24 2cpt h HIS 43 CO 0.07 -0.46 -0.29 0.00 0.86 0.00 0.00 177.93 178.11 2cpt n ALA 44 N -2.94 0.14 -0.04 2.45 0.00 -0.82 0.13 120.51 119.44 2cpt n ALA 44 Ca -0.03 1.07 -0.10 0.00 0.00 0.00 0.00 53.44 54.37 2cpt n ALA 44 Cb 0.36 -0.60 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 2cpt n ALA 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2cpt h VAL 45 N 0.00 1.05 -0.56 0.00 2.07 -1.34 -1.31 116.25 116.16 2cpt h VAL 45 Ca 0.44 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.97 2cpt h VAL 45 Cb 0.69 0.80 -0.11 0.00 -1.52 0.00 0.00 31.29 31.15 2cpt h VAL 45 CO -1.02 0.05 -0.24 1.56 0.02 0.00 0.00 177.57 177.95 2cpt h GLN 46 N 0.24 -0.10 -0.03 1.57 4.20 0.47 -0.24 115.11 121.22 2cpt h GLN 46 Ca 0.07 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2cpt h GLN 46 Cb -0.02 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2cpt h GLN 46 CO -0.01 -0.07 0.01 1.88 -0.67 0.00 0.00 178.83 179.97 2cpt h TYR 47 N -0.10 0.05 -0.74 2.96 0.05 -1.15 -2.36 116.97 115.68 2cpt h TYR 47 Ca 0.25 -0.01 0.17 0.00 0.05 0.00 0.00 58.73 59.19 2cpt h TYR 47 Cb 0.50 -0.02 -0.12 0.00 1.01 0.00 0.00 36.73 38.10 2cpt h TYR 47 CO -0.55 0.23 0.05 0.74 -1.05 0.00 0.00 178.16 177.59 2cpt h PHE 48 N -0.14 0.04 0.47 4.88 0.04 -0.23 -2.07 116.94 119.93 2cpt h PHE 48 Ca 0.01 0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 2cpt h PHE 48 Cb 0.20 0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.45 2cpt h PHE 48 CO -0.01 -0.20 -0.22 -0.07 -0.60 0.00 0.00 178.31 177.21 2cpt h LEU 49 N 0.14 -0.53 -0.73 1.54 3.38 -0.96 -2.55 115.31 115.61 2cpt h LEU 49 Ca 0.41 0.02 0.28 0.00 0.09 0.00 0.00 57.88 58.68 2cpt h LEU 49 Cb 0.72 0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.47 2cpt h LEU 49 CO -0.61 -0.34 0.30 1.57 0.09 0.00 0.00 178.44 179.45 2cpt n HIS 50 N -3.90 0.76 0.34 1.13 -0.00 -0.90 0.43 115.22 113.07 2cpt n HIS 50 Ca -0.08 0.86 -0.15 0.00 0.46 0.00 0.00 57.72 58.82 2cpt n HIS 50 Cb 0.25 -1.23 -0.07 0.00 -0.12 0.00 0.00 29.99 28.82 2cpt n HIS 50 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2cpt h VAL 51 N 0.00 0.09 0.00 3.57 2.07 -1.26 -2.27 116.25 118.45 2cpt h VAL 51 Ca 0.57 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.77 2cpt h VAL 51 Cb 1.46 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2cpt h VAL 51 CO -0.59 0.01 0.18 0.58 0.02 0.00 0.00 177.57 177.77 2cpt h VAL 52 N -1.19 0.00 0.08 2.57 2.07 0.40 1.31 116.25 121.50 2cpt h VAL 52 Ca -0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 2cpt h VAL 52 Cb 0.71 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2cpt h VAL 52 CO 0.15 0.00 -0.04 0.50 0.02 0.00 0.00 177.57 178.20 2cpt h LYS 53 N 0.00 -0.11 0.00 1.57 3.11 -0.60 -3.35 116.57 117.19 2cpt h LYS 53 Ca 0.00 0.01 -0.43 0.00 -2.81 0.00 0.00 60.65 57.41 2cpt h LYS 53 Cb 0.36 0.02 -0.07 0.00 -1.00 0.00 0.00 32.23 31.55 2cpt h LYS 53 CO 0.00 -0.07 -2.45 0.66 -2.81 0.00 0.00 179.45 174.78 2cpt n TYR 54 N -4.62 0.00 -0.51 1.91 4.02 -0.88 -4.48 117.16 112.60 2cpt n TYR 54 Ca -0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.79 2cpt n TYR 54 Cb 0.04 -0.93 0.03 0.00 -0.02 0.00 0.00 39.34 38.46 2cpt n TYR 54 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2cpt n GLU 55 N -4.10 1.44 -0.96 -0.72 -0.58 0.42 -4.94 120.64 111.19 2cpt n GLU 55 Ca -0.51 -0.89 -0.32 0.00 -0.42 0.00 0.00 57.16 55.03 2cpt n GLU 55 Cb 0.87 -1.35 0.14 0.00 -0.57 0.00 0.00 31.44 30.53 2cpt n GLU 55 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2cpt s ALA 56 N -1.02 1.75 0.04 0.62 0.00 0.50 -4.40 121.76 119.25 2cpt s ALA 56 Ca 0.17 0.61 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 2cpt s ALA 56 Cb 0.14 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.83 2cpt s ALA 56 CO 0.00 -2.39 -0.01 1.04 0.00 0.00 0.00 175.76 174.40 2cpt n GLN 57 N -3.76 0.02 -2.76 0.00 6.02 -1.26 -5.00 117.38 110.64 2cpt n GLN 57 Ca 0.12 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 2cpt n GLN 57 Cb 0.52 -0.28 0.01 0.00 1.02 0.00 0.00 30.24 31.50 2cpt n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cpt n GLY 58 N 3.34 0.62 0.25 1.08 0.00 -1.26 -4.99 105.19 104.23 2cpt n GLY 58 Ca -0.01 -0.96 0.08 0.00 0.00 0.00 0.00 46.02 45.13 2cpt n GLY 58 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2cpt h ASP 59 N 0.92 0.00 0.16 1.61 2.03 -2.02 0.73 116.42 119.85 2cpt h ASP 59 Ca -0.11 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.18 2cpt h ASP 59 Cb 0.55 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.05 2cpt h ASP 59 CO 0.15 0.10 -0.08 0.11 -1.03 0.00 0.00 179.24 178.49 2cpt h LYS 60 N 0.00 -0.20 0.50 4.15 6.56 -2.00 -3.01 116.57 122.57 2cpt h LYS 60 Ca -0.00 0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.58 2cpt h LYS 60 Cb 0.19 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 2cpt h LYS 60 CO 0.01 0.21 -0.24 0.00 -2.06 0.00 0.00 179.45 177.37 2cpt h ALA 61 N -0.01 -0.67 -0.88 3.86 0.00 -1.89 -2.30 119.26 117.37 2cpt h ALA 61 Ca -0.02 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 54.85 2cpt h ALA 61 Cb 0.51 0.26 -0.15 0.00 0.00 0.00 0.00 17.79 18.40 2cpt h ALA 61 CO 0.04 -0.68 -0.30 1.63 0.00 0.00 0.00 179.25 179.94 2cpt n LYS 62 N -5.24 -0.16 -0.08 0.00 5.02 0.23 0.61 118.16 118.54 2cpt n LYS 62 Ca -0.10 1.36 -0.10 0.00 -2.02 0.00 0.00 58.31 57.44 2cpt n LYS 62 Cb 0.30 -2.02 -0.03 0.00 -0.02 0.00 0.00 35.03 33.26 2cpt n LYS 62 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2cpt h GLN 63 N 0.00 0.38 0.34 1.97 1.08 -1.57 -0.09 115.11 117.23 2cpt h GLN 63 Ca 0.35 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.47 2cpt h GLN 63 Cb 0.57 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 2cpt h GLN 63 CO -0.88 0.43 -0.44 1.03 -0.95 0.00 0.00 178.83 178.02 2cpt h SER 64 N 0.25 -1.23 -0.37 1.46 0.87 0.77 -0.48 113.55 114.82 2cpt h SER 64 Ca 0.08 0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.79 2cpt h SER 64 Cb 0.20 0.42 -0.04 0.00 -0.44 0.00 0.00 62.40 62.53 2cpt h SER 64 CO -0.01 -0.54 0.12 0.40 -0.53 0.00 0.00 176.83 176.27 2cpt h ILE 65 N -0.80 0.88 -0.34 2.23 2.04 -0.77 -2.71 117.51 118.03 2cpt h ILE 65 Ca -0.04 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.80 2cpt h ILE 65 Cb 0.72 0.59 -0.08 0.00 -0.74 0.00 0.00 36.82 37.30 2cpt h ILE 65 CO -0.10 0.05 -0.30 0.03 0.00 0.00 0.00 178.15 177.82 2cpt h ARG 66 N 0.27 -0.25 -0.84 2.37 3.08 -0.76 -0.62 114.38 117.62 2cpt h ARG 66 Ca 0.17 0.02 0.21 0.00 0.07 0.00 0.00 59.98 60.45 2cpt h ARG 66 Cb 0.16 0.06 -0.15 0.00 0.08 0.00 0.00 29.97 30.12 2cpt h ARG 66 CO -0.18 -0.17 0.06 0.00 -1.07 0.00 0.00 179.97 178.61 2cpt h ALA 67 N 0.75 0.99 -0.21 0.04 0.00 -0.76 0.12 119.26 120.19 2cpt h ALA 67 Ca 0.16 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 2cpt h ALA 67 Cb 0.52 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2cpt h ALA 67 CO -0.49 -0.46 0.07 0.87 0.00 0.00 0.00 179.25 179.24 2cpt h LYS 68 N 0.11 0.32 -0.72 0.00 6.56 -1.09 -2.13 116.57 119.62 2cpt h LYS 68 Ca 0.49 -0.06 0.16 0.00 -1.06 0.00 0.00 60.65 60.18 2cpt h LYS 68 Cb 0.93 -0.05 -0.12 0.00 -0.57 0.00 0.00 32.23 32.43 2cpt h LYS 68 CO -0.73 0.40 0.08 0.00 -2.06 0.00 0.00 179.45 177.14 2cpt h THR 70 N 0.17 1.26 0.53 0.00 2.02 -1.21 -1.34 112.91 114.34 2cpt h THR 70 Ca 0.40 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 2cpt h THR 70 Cb 0.69 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 68.30 2cpt h THR 70 CO -0.57 0.34 -0.35 -0.08 0.37 0.00 0.00 175.52 175.22 2cpt h GLU 71 N 0.45 -0.80 -0.76 6.66 4.57 -0.40 -0.99 114.58 123.31 2cpt h GLU 71 Ca 0.10 0.05 0.11 0.00 -1.18 0.00 0.00 59.36 58.45 2cpt h GLU 71 Cb 0.49 0.18 -0.08 0.00 -0.16 0.00 0.00 28.75 29.18 2cpt h GLU 71 CO 0.02 -0.54 0.38 1.88 -1.18 0.00 0.00 179.01 179.58 2cpt h TYR 72 N -0.83 0.68 0.23 0.92 0.05 -1.00 -2.05 116.97 114.97 2cpt h TYR 72 Ca -0.07 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.75 2cpt h TYR 72 Cb 0.68 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 38.19 2cpt h TYR 72 CO -0.07 0.21 -0.44 -0.07 -1.05 0.00 0.00 178.16 176.75 2cpt h LEU 73 N 0.61 -1.25 -0.43 3.88 3.38 -1.05 -0.76 115.31 119.69 2cpt h LEU 73 Ca 0.39 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.57 2cpt h LEU 73 Cb 0.46 0.45 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 2cpt h LEU 73 CO -0.30 -0.53 -0.12 -0.78 0.09 0.00 0.00 178.44 176.79 2cpt h ASP 74 N -0.74 -0.45 -0.38 -0.43 1.82 -0.73 0.15 116.42 115.66 2cpt h ASP 74 Ca -0.00 0.13 0.08 0.00 -0.39 0.00 0.00 57.03 56.85 2cpt h ASP 74 Cb 0.72 0.28 -0.07 0.00 0.68 0.00 0.00 39.33 40.95 2cpt h ASP 74 CO -0.19 -0.16 -0.09 -0.09 -1.61 0.00 0.00 179.24 177.11 2cpt h ARG 75 N -0.02 0.01 -0.15 0.28 9.65 -0.98 -2.15 114.38 121.01 2cpt h ARG 75 Ca 0.21 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.09 2cpt h ARG 75 Cb 0.34 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 2cpt h ARG 75 CO -0.45 0.01 0.10 0.00 2.80 0.00 0.00 179.97 182.42 2cpt h ALA 76 N 1.37 0.19 -0.96 2.80 0.00 -0.20 -2.76 119.26 119.71 2cpt h ALA 76 Ca 0.18 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.33 2cpt h ALA 76 Cb 0.28 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 17.84 2cpt h ALA 76 CO -0.38 -0.33 -0.04 0.93 0.00 0.00 0.00 179.25 179.43 2cpt h GLU 77 N 0.20 0.02 0.87 0.00 5.08 -0.34 0.11 114.58 120.52 2cpt h GLU 77 Ca 0.06 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2cpt h GLU 77 Cb -0.02 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.24 2cpt h GLU 77 CO -0.02 0.01 -0.42 0.87 -1.00 0.00 0.00 179.01 178.45 2cpt h LYS 78 N 0.02 -1.13 -0.72 2.33 1.79 -1.29 -2.76 116.57 114.81 2cpt h LYS 78 Ca 0.55 0.08 0.28 0.00 -2.18 0.00 0.00 60.65 59.37 2cpt h LYS 78 Cb 1.06 0.26 -0.13 0.00 -1.58 0.00 0.00 32.23 31.83 2cpt h LYS 78 CO -0.91 -0.75 0.30 1.28 -1.08 0.00 0.00 179.45 178.29 2cpt n LEU 79 N -5.59 0.17 0.38 2.94 4.77 0.00 0.34 117.00 120.01 2cpt n LEU 79 Ca -0.16 1.20 -0.15 0.00 -0.03 0.00 0.00 56.01 56.88 2cpt n LEU 79 Cb 0.47 -0.55 -0.07 0.00 -2.33 0.00 0.00 43.42 40.93 2cpt n LEU 79 CO 0.40 -1.32 0.44 0.11 -1.33 0.00 0.00 177.39 175.69 2cpt h LYS 80 N 0.00 -0.95 -0.67 3.23 1.57 -1.22 -0.38 116.57 118.15 2cpt h LYS 80 Ca 0.57 0.07 0.19 0.00 -1.87 0.00 0.00 60.65 59.61 2cpt h LYS 80 Cb 1.45 0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.95 2cpt h LYS 80 CO -0.58 -0.64 0.73 0.93 -0.57 0.00 0.00 179.45 179.32 2cpt h GLU 81 N -1.14 0.00 0.03 3.15 5.08 -0.02 0.14 114.58 121.81 2cpt h GLU 81 Ca -0.10 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 2cpt h GLU 81 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2cpt h GLU 81 CO 0.17 0.00 -0.28 -0.92 -1.00 0.00 0.00 179.01 176.98 2cpt h TYR 82 N 0.00 0.10 -0.18 4.33 3.20 -0.93 -2.97 116.97 120.52 2cpt h TYR 82 Ca 0.32 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 2cpt h TYR 82 Cb 1.78 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.03 2cpt h TYR 82 CO 0.00 1.11 0.11 -0.07 -1.64 0.00 0.00 178.16 177.66 2cpt h LEU 83 N -0.88 0.21 -2.18 2.82 3.38 0.92 -0.75 115.31 118.83 2cpt h LEU 83 Ca -0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2cpt h LEU 83 Cb 1.15 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2cpt h LEU 83 CO 0.01 0.20 -0.05 0.07 0.09 0.00 0.00 178.44 178.76 2cpt h LYS 84 N 0.21 0.00 0.19 1.13 2.10 -1.07 -0.69 116.57 118.43 2cpt h LYS 84 Ca 0.06 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.40 2cpt h LYS 84 Cb 0.03 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.38 2cpt h LYS 84 CO -0.01 0.05 -1.40 -0.97 -2.00 0.00 0.00 179.45 175.12 2cpt h ASN 85 N 0.00 0.63 0.23 7.07 -0.73 -1.16 -3.38 115.58 118.24 2cpt h ASN 85 Ca -0.00 -0.70 -0.01 0.00 1.87 0.00 0.00 56.30 57.46 2cpt h ASN 85 Cb 0.25 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.63 2cpt h ASN 85 CO 0.01 1.55 -0.11 0.50 -0.37 0.00 0.00 177.43 179.01 2cpt h LYS 86 N 0.11 -0.30 -6.80 6.67 3.64 -0.61 -3.46 116.57 115.82 2cpt h LYS 86 Ca -0.21 0.02 -0.55 0.00 -1.27 0.00 0.00 60.65 58.64 2cpt h LYS 86 Cb 2.08 0.07 0.19 0.00 -0.41 0.00 0.00 32.23 34.15 2cpt h LYS 86 CO 0.24 -0.20 -0.20 0.39 -2.27 0.00 0.00 179.45 177.41 2cpt n GLU 87 N -4.90 0.30 -2.38 1.90 4.71 -0.32 -4.94 120.64 115.00 2cpt n GLU 87 Ca -0.04 0.15 -0.28 0.00 -0.01 0.00 0.00 57.16 56.98 2cpt n GLU 87 Cb 0.12 -2.00 0.01 0.00 -1.01 0.00 0.00 31.44 28.56 2cpt n GLU 87 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2cpt n LYS 88 N -1.38 3.38 -0.09 3.49 4.76 -1.26 -4.77 118.16 122.29 2cpt n LYS 88 Ca 0.11 -4.39 -0.12 0.00 -2.87 0.00 0.00 58.31 51.04 2cpt n LYS 88 Cb 0.50 -2.25 -0.05 0.00 -1.84 0.00 0.00 35.03 31.39 2cpt n LYS 88 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2cpt n LYS 89 N -0.51 0.51 -2.66 1.97 4.01 -1.26 -4.83 118.16 115.40 2cpt n LYS 89 Ca 0.41 0.44 -0.43 0.00 -0.51 0.00 0.00 58.31 58.23 2cpt n LYS 89 Cb 0.65 -1.63 -0.03 0.00 -0.51 0.00 0.00 35.03 33.51 2cpt n LYS 89 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2cpt s ALA 90 N -2.66 3.10 0.61 7.82 0.00 -1.26 -4.88 121.76 124.49 2cpt s ALA 90 Ca -0.24 -0.77 0.33 0.00 0.00 0.00 0.00 51.96 51.29 2cpt s ALA 90 Cb 0.05 -3.90 1.97 0.00 0.00 0.00 0.00 23.12 21.24 2cpt s ALA 90 CO 0.38 -2.42 2.28 1.96 0.00 0.00 0.00 175.76 177.96 2cpt h GLN 91 N 9.35 0.00 -2.71 0.00 4.20 -1.98 -3.31 115.11 120.67 2cpt h GLN 91 Ca -0.24 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 57.87 2cpt h GLN 91 Cb 1.06 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.45 2cpt h GLN 91 CO 1.13 0.00 -0.82 -1.59 -0.67 0.00 0.00 178.83 176.88 2cpt s LYS 92 N -4.53 1.02 0.10 1.46 -2.85 -1.26 -5.11 119.74 108.57 2cpt s LYS 92 Ca -0.05 -1.88 -0.31 0.00 -1.00 0.00 0.00 55.97 52.73 2cpt s LYS 92 Cb 0.15 -1.84 -0.07 0.00 -2.06 0.00 0.00 37.83 34.01 2cpt s LYS 92 CO 0.52 -1.24 1.37 -1.25 0.10 0.00 0.00 175.35 174.85 2cpt s PRO 93 N 0.42 4.33 -0.87 1.78 0.04 -1.25 -4.88 135.00 134.57 2cpt s PRO 93 Ca 0.22 2.03 -0.25 0.00 0.04 0.00 0.00 61.00 63.04 2cpt s PRO 93 Cb -0.16 -3.29 -0.18 0.00 0.04 0.00 0.00 34.50 30.91 2cpt s PRO 93 CO -0.05 -0.43 2.28 0.28 0.04 0.00 0.00 177.00 179.12 2cpt n VAL 94 N 4.02 0.00 -3.48 -0.36 0.31 -1.26 -4.80 118.33 112.76 2cpt n VAL 94 Ca 0.11 -0.35 -0.11 0.00 -0.01 0.00 0.00 64.34 63.98 2cpt n VAL 94 Cb 0.43 -1.85 -0.02 0.00 -0.91 0.00 0.00 33.84 31.49 2cpt n VAL 94 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2cpt s LYS 95 N 8.64 1.29 -0.34 5.55 1.02 -1.26 -5.14 119.74 129.50 2cpt s LYS 95 Ca 0.90 -0.55 -0.04 0.00 0.02 0.00 0.00 55.97 56.30 2cpt s LYS 95 Cb -0.14 0.57 0.06 0.00 -0.52 0.00 0.00 37.83 37.80 2cpt s LYS 95 CO 0.14 -0.56 0.09 -1.83 -0.92 0.00 0.00 175.35 172.27 2cpt s GLU 96 N -3.77 2.39 0.15 1.68 -1.05 -1.26 -5.06 118.70 111.78 2cpt s GLU 96 Ca 0.02 -1.38 -0.24 0.00 -0.15 0.00 0.00 54.97 53.23 2cpt s GLU 96 Cb -0.01 -3.38 0.08 0.00 -0.44 0.00 0.00 34.13 30.38 2cpt s GLU 96 CO -0.11 -0.75 1.06 0.20 0.95 0.00 0.00 175.26 176.61 2cpt s GLY 97 N 1.47 -0.02 -0.93 -3.83 0.00 -1.26 -5.09 107.32 97.66 2cpt s GLY 97 Ca -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 44.72 44.55 2cpt s GLY 97 CO -0.01 1.98 0.84 1.62 0.00 0.00 0.00 173.10 177.53 2cpt s GLN 98 N -2.41 3.44 0.76 2.90 2.00 -1.26 -5.07 119.66 120.03 2cpt s GLN 98 Ca 0.20 -3.24 -0.13 0.00 -2.00 0.00 0.00 55.36 50.19 2cpt s GLN 98 Cb -0.02 -4.07 0.19 0.00 0.80 0.00 0.00 33.01 29.91 2cpt s GLN 98 CO 0.03 -1.26 0.68 -0.35 -0.50 0.00 0.00 175.29 173.90 2cpt n PRO 99 N 2.45 -2.33 -3.93 1.67 -0.04 -1.26 -5.09 135.00 126.46 2cpt n PRO 99 Ca 0.21 -1.09 -0.10 0.00 -0.04 0.00 0.00 63.50 62.48 2cpt n PRO 99 Cb 0.38 -1.02 -0.12 0.00 -0.04 0.00 0.00 33.50 32.70 2cpt n PRO 99 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cpt s SER 100 N -3.34 0.13 -0.96 3.54 0.01 -1.26 -5.09 113.70 106.73 2cpt s SER 100 Ca 0.44 -0.29 -0.24 0.00 1.31 0.00 0.00 55.95 57.17 2cpt s SER 100 Cb -0.04 0.10 -0.06 0.00 0.21 0.00 0.00 66.02 66.23 2cpt s SER 100 CO 0.34 -0.22 1.94 -2.16 0.41 0.00 0.00 173.24 173.55 2cpt s PRO 101 N -0.99 2.54 -0.15 12.44 0.04 -1.26 -4.84 135.00 142.78 2cpt s PRO 101 Ca -0.11 -0.48 -0.32 0.00 0.04 0.00 0.00 61.00 60.13 2cpt s PRO 101 Cb -0.07 -5.10 0.13 0.00 0.04 0.00 0.00 34.50 29.51 2cpt s PRO 101 CO -0.00 -3.51 1.12 0.00 0.04 0.00 0.00 177.00 174.65 2cpt s ALA 102 N 10.29 -2.00 -0.29 8.56 0.00 -1.26 -5.18 121.76 131.88 2cpt s ALA 102 Ca 0.70 1.49 -0.17 0.00 0.00 0.00 0.00 51.96 53.98 2cpt s ALA 102 Cb -0.05 -0.20 0.15 0.00 0.00 0.00 0.00 23.12 23.02 2cpt s ALA 102 CO 0.02 -0.55 1.02 0.16 0.00 0.00 0.00 175.76 176.42 2cpt s ASP 103 N -2.00 -0.45 0.03 0.00 1.47 -1.26 -5.17 116.67 109.29 2cpt s ASP 103 Ca 0.07 0.72 -0.02 0.00 1.18 0.00 0.00 52.55 54.50 2cpt s ASP 103 Cb -0.01 1.14 -0.04 0.00 -0.34 0.00 0.00 42.92 43.67 2cpt s ASP 103 CO -0.05 -0.12 0.22 -1.83 0.68 0.00 0.00 175.17 174.07 2cpt s GLU 104 N 1.19 3.47 -0.17 2.11 -1.05 -1.26 -5.04 118.70 117.96 2cpt s GLU 104 Ca -0.08 -0.32 -0.22 0.00 -0.15 0.00 0.00 54.97 54.20 2cpt s GLU 104 Cb -0.04 -3.06 -0.19 0.00 -0.44 0.00 0.00 34.13 30.40 2cpt s GLU 104 CO -0.14 0.63 0.41 -0.22 0.95 0.00 0.00 175.26 176.90 2cpt h LYS 105 N 3.49 0.00 0.00 -4.83 3.11 -2.03 -3.50 116.57 112.81 2cpt h LYS 105 Ca -0.47 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 2cpt h LYS 105 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.41 2cpt h LYS 105 CO 0.72 0.85 0.00 0.41 -2.81 0.00 0.00 179.45 178.61 2cpt n GLY 106 N 1.55 1.00 3.53 5.01 0.00 -1.26 -4.93 105.19 110.08 2cpt n GLY 106 Ca -0.18 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 2cpt n GLY 106 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cpt s ASN 107 N -4.00 -0.30 -0.24 1.61 -0.87 -1.26 -5.15 114.94 104.73 2cpt s ASN 107 Ca 0.00 -0.42 -0.00 0.00 -1.57 0.00 0.00 52.86 50.87 2cpt s ASN 107 Cb 0.00 0.59 0.07 0.00 -0.02 0.00 0.00 41.25 41.89 2cpt s ASN 107 CO 0.00 -1.06 0.01 1.51 -2.57 0.00 0.00 177.10 174.99 2cpt s ASP 108 N -2.86 3.66 -0.68 -1.22 -4.77 -1.26 -5.07 116.67 104.47 2cpt s ASP 108 Ca 0.08 -1.22 -0.26 0.00 -3.30 0.00 0.00 52.55 47.85 2cpt s ASP 108 Cb -0.01 -0.97 -0.13 0.00 -1.09 0.00 0.00 42.92 40.72 2cpt s ASP 108 CO -0.04 -0.30 2.47 -1.54 0.70 0.00 0.00 175.17 176.46 2cpt n SER 109 N 4.80 1.55 -3.90 2.11 3.41 -1.26 -4.85 113.62 115.48 2cpt n SER 109 Ca -0.08 -0.51 -0.09 0.00 -0.26 0.00 0.00 58.87 57.92 2cpt n SER 109 Cb 0.44 -1.39 -0.06 0.00 -0.26 0.00 0.00 64.21 62.95 2cpt n SER 109 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2cpt s ASP 110 N 10.60 -0.05 0.00 4.04 2.15 -1.26 -5.03 116.67 127.12 2cpt s ASP 110 Ca 1.08 -0.76 0.00 0.00 0.43 0.00 0.00 52.55 53.30 2cpt s ASP 110 Cb -0.45 0.48 0.00 0.00 -0.30 0.00 0.00 42.92 42.65 2cpt s ASP 110 CO 0.30 -0.95 0.00 0.61 -0.17 0.00 0.00 175.17 174.96 2cpt n GLY 111 N -0.26 1.76 3.51 2.66 0.00 -1.26 -5.12 105.19 106.48 2cpt n GLY 111 Ca -0.08 -0.18 -0.47 0.00 0.00 0.00 0.00 46.02 45.29 2cpt n GLY 111 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cpt n SER 112 N 0.00 0.32 0.00 1.61 3.41 -1.26 -4.91 113.62 112.79 2cpt n SER 112 Ca 0.00 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 2cpt n SER 112 Cb 0.00 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 62.82 2cpt n SER 112 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cpt n GLY 113 N 1.66 1.50 3.67 5.00 0.00 -1.26 -5.13 105.19 110.64 2cpt n GLY 113 Ca 0.14 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 2cpt n GLY 113 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cpt s PRO 114 N 1.12 4.21 0.33 1.61 0.04 -1.26 -4.99 135.00 136.05 2cpt s PRO 114 Ca 0.00 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.08 2cpt s PRO 114 Cb 0.00 -3.85 -0.02 0.00 0.04 0.00 0.00 34.50 30.67 2cpt s PRO 114 CO 0.00 -0.76 0.34 0.45 0.04 0.00 0.00 177.00 177.07 2cpt s SER 115 N 2.72 1.28 -1.82 6.66 0.15 -1.26 -4.89 113.70 116.54 2cpt s SER 115 Ca 0.67 -1.63 -0.20 0.00 0.70 0.00 0.00 55.95 55.49 2cpt s SER 115 Cb -0.30 0.58 0.20 0.00 -1.71 0.00 0.00 66.02 64.79 2cpt s SER 115 CO 0.25 -1.13 0.49 -1.54 1.20 0.00 0.00 173.24 172.50 2cpt n SER 116 N -1.40 -1.32 0.00 5.45 3.41 -1.26 -5.33 113.62 113.17 2cpt n SER 116 Ca 0.05 -1.25 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 2cpt n SER 116 Cb 0.62 -1.59 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 2cpt n SER 116 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49