#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpt s SER 2 N 0.00 6.56 0.31 1.61 0.01 -1.26 -4.97 113.70 115.96 2cpt s SER 2 Ca 0.00 2.50 0.03 0.00 1.31 0.00 0.00 55.95 59.79 2cpt s SER 2 Cb 0.00 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 2cpt s SER 2 CO 0.00 -0.96 0.32 -0.94 0.41 0.00 0.00 173.24 172.07 2cpt s SER 3 N 3.25 1.19 -0.30 2.44 1.04 -1.26 -5.12 113.70 114.94 2cpt s SER 3 Ca 0.79 -1.60 -0.00 0.00 0.48 0.00 0.00 55.95 55.61 2cpt s SER 3 Cb -0.40 0.56 0.30 0.00 0.10 0.00 0.00 66.02 66.59 2cpt s SER 3 CO 0.35 -1.10 1.36 0.61 0.98 0.00 0.00 173.24 175.44 2cpt n GLY 4 N -0.55 -1.92 3.04 7.32 0.00 -1.26 -5.14 105.19 106.69 2cpt n GLY 4 Ca 0.05 1.06 -0.12 0.00 0.00 0.00 0.00 46.02 47.01 2cpt n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cpt s SER 5 N -0.04 0.27 0.12 1.61 1.04 -1.26 -5.16 113.70 110.28 2cpt s SER 5 Ca 0.23 0.60 -0.12 0.00 0.48 0.00 0.00 55.95 57.13 2cpt s SER 5 Cb 0.25 0.89 0.02 0.00 0.10 0.00 0.00 66.02 67.27 2cpt s SER 5 CO -0.13 -0.25 0.31 -0.94 0.98 0.00 0.00 173.24 173.20 2cpt s SER 6 N 2.48 -0.06 -1.24 7.02 1.04 -1.26 -5.07 113.70 116.61 2cpt s SER 6 Ca 0.02 -0.52 -0.05 0.00 0.48 0.00 0.00 55.95 55.89 2cpt s SER 6 Cb -0.13 0.42 0.18 0.00 0.10 0.00 0.00 66.02 66.59 2cpt s SER 6 CO -0.11 -0.81 2.15 0.61 0.98 0.00 0.00 173.24 176.06 2cpt n GLY 7 N -0.16 5.39 3.50 7.32 0.00 -1.26 -4.94 105.19 115.05 2cpt n GLY 7 Ca -0.15 -2.22 -0.43 0.00 0.00 0.00 0.00 46.02 43.23 2cpt n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2cpt s MET 8 N -1.84 3.28 -0.61 1.61 -2.45 -1.26 -4.94 119.30 113.08 2cpt s MET 8 Ca 0.48 -0.40 -0.31 0.00 -1.25 0.00 0.00 55.69 54.20 2cpt s MET 8 Cb 0.17 -4.08 -0.17 0.00 1.25 0.00 0.00 34.83 32.00 2cpt s MET 8 CO -0.08 -1.49 1.98 0.45 1.05 0.00 0.00 175.02 176.93 2cpt n SER 9 N 7.32 0.43 -4.69 1.11 2.88 -1.26 -4.80 113.62 114.61 2cpt n SER 9 Ca 0.00 0.36 -0.42 0.00 -1.33 0.00 0.00 58.87 57.48 2cpt n SER 9 Cb 0.47 -0.75 -0.03 0.00 -0.75 0.00 0.00 64.21 63.16 2cpt n SER 9 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cpt s SER 10 N 6.13 6.98 -0.02 -3.46 0.01 -1.26 -5.03 113.70 117.05 2cpt s SER 10 Ca 1.05 1.98 0.08 0.00 1.31 0.00 0.00 55.95 60.36 2cpt s SER 10 Cb -1.14 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 62.51 2cpt s SER 10 CO 0.47 -0.60 -0.25 0.28 0.41 0.00 0.00 173.24 173.55 2cpt s THR 11 N 1.95 2.10 0.77 1.44 -1.32 -1.26 -5.11 115.64 114.21 2cpt s THR 11 Ca 0.59 -1.09 -0.17 0.00 -1.21 0.00 0.00 61.69 59.82 2cpt s THR 11 Cb -0.28 -1.73 -0.10 0.00 -1.51 0.00 0.00 72.50 68.88 2cpt s THR 11 CO 0.25 0.58 -0.08 -1.20 -2.21 0.00 0.00 174.62 171.97 2cpt n SER 12 N 2.46 -3.47 -0.05 8.08 7.64 -1.26 -4.76 113.62 122.26 2cpt n SER 12 Ca -0.16 0.46 -0.13 0.00 1.01 0.00 0.00 58.87 60.05 2cpt n SER 12 Cb 0.51 -0.97 -0.07 0.00 -1.01 0.00 0.00 64.21 62.67 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 -0.58 0.35 -0.21 1.43 0.13 -1.99 -2.55 132.00 128.58 2cpt h PRO 13 Ca -0.44 -0.18 0.02 0.00 -0.87 0.00 0.00 66.00 64.53 2cpt h PRO 13 Cb 1.36 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.47 2cpt h PRO 13 CO 0.36 0.73 0.07 -0.97 -0.23 0.00 0.00 178.00 177.96 2cpt h ASN 14 N -0.03 0.08 0.50 1.44 -0.73 -1.95 -1.98 115.58 112.92 2cpt h ASN 14 Ca 0.02 0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.20 2cpt h ASN 14 Cb 0.67 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.26 2cpt h ASN 14 CO 0.03 0.08 -0.34 0.25 -0.37 0.00 0.00 177.43 177.08 2cpt h LEU 15 N 0.17 -0.88 -0.56 0.34 5.85 -1.83 -1.85 115.31 116.55 2cpt h LEU 15 Ca 0.09 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.97 2cpt h LEU 15 Cb 0.06 0.27 -0.11 0.00 0.37 0.00 0.00 40.66 41.25 2cpt h LEU 15 CO -0.09 -0.52 -0.31 -0.61 -0.34 0.00 0.00 178.44 176.56 2cpt h GLN 16 N -0.82 -0.15 -0.54 1.25 -0.00 -1.34 0.46 115.11 113.97 2cpt h GLN 16 Ca -0.06 0.01 0.11 0.00 -0.00 0.00 0.00 58.65 58.71 2cpt h GLN 16 Cb 0.68 0.04 -0.03 0.00 0.00 0.00 0.00 27.48 28.17 2cpt h GLN 16 CO 0.03 -0.10 0.37 -0.22 0.00 0.00 0.00 178.83 178.91 2cpt h LYS 17 N -0.16 0.26 -0.40 1.69 3.64 -1.19 -1.37 116.57 119.04 2cpt h LYS 17 Ca 0.23 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 2cpt h LYS 17 Cb 0.54 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 2cpt h LYS 17 CO -0.65 0.17 0.11 0.00 -2.27 0.00 0.00 179.45 176.81 2cpt h ALA 18 N 1.73 0.52 0.94 5.00 0.00 0.76 -2.38 119.26 125.83 2cpt h ALA 18 Ca 0.25 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2cpt h ALA 18 Cb 0.64 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.29 2cpt h ALA 18 CO -0.05 0.18 -0.49 0.82 0.00 0.00 0.00 179.25 179.71 2cpt h ILE 19 N 0.49 0.00 -0.55 0.00 5.03 -0.50 -1.72 117.51 120.27 2cpt h ILE 19 Ca 0.13 0.00 0.10 0.00 -0.12 0.00 0.00 64.86 64.97 2cpt h ILE 19 Cb 0.28 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 33.96 2cpt h ILE 19 CO -0.00 0.00 -0.29 -0.78 -0.68 0.00 0.00 178.15 176.39 2cpt h ASP 20 N -1.30 -1.01 -0.13 1.72 3.58 -1.53 0.13 116.42 117.87 2cpt h ASP 20 Ca -0.13 0.21 0.05 0.00 0.42 0.00 0.00 57.03 57.58 2cpt h ASP 20 Cb 1.01 0.52 -0.06 0.00 1.72 0.00 0.00 39.33 42.52 2cpt h ASP 20 CO 0.19 -0.29 -0.35 -0.07 -2.88 0.00 0.00 179.24 175.84 2cpt h LEU 21 N -0.15 -1.08 -0.78 2.28 3.38 -1.35 0.14 115.31 117.75 2cpt h LEU 21 Ca 0.23 0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.47 2cpt h LEU 21 Cb 0.53 0.45 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 2cpt h LEU 21 CO -0.64 -0.38 0.39 0.00 0.09 0.00 0.00 178.44 177.90 2cpt h ALA 22 N 0.34 1.12 -0.07 1.53 0.00 -0.32 -1.74 119.26 120.11 2cpt h ALA 22 Ca 0.09 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2cpt h ALA 22 Cb 0.57 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2cpt h ALA 22 CO -0.36 -0.07 0.03 1.03 0.00 0.00 0.00 179.25 179.88 2cpt h SER 23 N 0.60 0.10 -0.37 0.00 0.87 0.10 -3.05 113.55 111.79 2cpt h SER 23 Ca 0.40 -0.13 0.08 0.00 -1.23 0.00 0.00 61.79 60.91 2cpt h SER 23 Cb 0.51 -0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.37 2cpt h SER 23 CO -0.32 0.20 -0.12 0.50 -0.53 0.00 0.00 176.83 176.55 2cpt h LYS 24 N -0.01 -0.04 -0.89 2.24 3.64 -0.03 -2.61 116.57 118.86 2cpt h LYS 24 Ca 0.02 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.49 2cpt h LYS 24 Cb 0.13 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 31.85 2cpt h LYS 24 CO -0.00 -0.03 -0.52 0.00 -2.27 0.00 0.00 179.45 176.62 2cpt n ALA 25 N -2.72 -0.57 -0.20 5.00 0.00 -0.73 -0.73 120.51 120.57 2cpt n ALA 25 Ca 0.02 0.76 -0.09 0.00 0.00 0.00 0.00 53.44 54.12 2cpt n ALA 25 Cb 0.23 -0.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 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 0.39 -0.39 -0.77 0.00 0.00 -1.50 0.26 119.26 117.24 2cpt h ALA 26 Ca 0.14 0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.31 2cpt h ALA 26 Cb 0.36 0.98 -0.14 0.00 0.00 0.00 0.00 17.79 18.99 2cpt h ALA 26 CO -0.84 -0.86 -0.14 1.96 0.00 0.00 0.00 179.25 179.37 2cpt h GLN 27 N -0.25 0.02 -0.51 0.00 4.20 -0.88 0.24 115.11 117.93 2cpt h GLN 27 Ca 0.16 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 2cpt h GLN 27 Cb 0.57 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 2cpt h GLN 27 CO -0.67 0.01 0.31 0.93 -0.67 0.00 0.00 178.83 178.74 2cpt h GLU 28 N 0.02 0.70 -0.77 1.46 4.39 -0.29 0.12 114.58 120.20 2cpt h GLU 28 Ca 0.39 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 60.04 2cpt h GLU 28 Cb 0.62 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.08 2cpt h GLU 28 CO -0.77 0.51 0.50 0.22 -1.16 0.00 0.00 179.01 178.31 2cpt h ASP 29 N 0.69 0.86 0.08 1.42 1.82 0.89 0.86 116.42 123.04 2cpt h ASP 29 Ca 0.18 -0.01 -0.16 0.00 -0.39 0.00 0.00 57.03 56.65 2cpt h ASP 29 Cb -0.01 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 39.78 2cpt h ASP 29 CO -0.03 0.61 -0.55 0.50 -1.61 0.00 0.00 179.24 178.15 2cpt h LYS 30 N 1.01 0.50 0.00 0.28 3.64 -0.44 -2.91 116.57 118.66 2cpt h LYS 30 Ca 0.29 -0.32 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2cpt h LYS 30 Cb -0.07 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2cpt h LYS 30 CO -0.08 0.92 -0.11 0.00 -2.27 0.00 0.00 179.45 177.91 2cpt h ALA 31 N 1.01 1.01 0.00 5.00 0.00 -0.22 -3.46 119.26 122.61 2cpt h ALA 31 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2cpt h ALA 31 Cb 1.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2cpt h ALA 31 CO 0.10 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.90 2cpt n GLY 32 N 0.13 1.06 3.47 0.00 0.00 -0.11 -5.06 105.19 104.68 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 -1.07 6.47 -0.12 1.61 0.01 0.28 -4.85 114.94 117.28 2cpt s ASN 33 Ca 0.00 -1.63 -0.19 0.00 -0.71 0.00 0.00 52.86 50.34 2cpt s ASN 33 Cb 0.00 -2.43 -0.17 0.00 0.41 0.00 0.00 41.25 39.06 2cpt s ASN 33 CO 0.00 -1.25 0.52 1.88 -1.51 0.00 0.00 177.10 176.74 2cpt h TYR 34 N 9.21 -0.01 -0.87 2.20 -1.99 -1.88 -2.11 116.97 121.52 2cpt h TYR 34 Ca 0.03 -0.00 0.14 0.00 2.00 0.00 0.00 58.73 60.90 2cpt h TYR 34 Cb 1.04 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 39.68 2cpt h TYR 34 CO 1.13 0.62 0.47 1.05 -0.00 0.00 0.00 178.16 181.42 2cpt h GLU 35 N -0.99 0.66 -0.20 4.88 4.11 -1.91 0.28 114.58 121.41 2cpt h GLU 35 Ca -0.00 -0.04 -0.21 0.00 0.07 0.00 0.00 59.36 59.18 2cpt h GLU 35 Cb 0.64 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.74 2cpt h GLU 35 CO 0.00 0.44 -0.69 1.49 0.07 0.00 0.00 179.01 180.32 2cpt h GLU 36 N 0.68 0.79 0.00 1.06 4.57 -1.97 -3.08 114.58 116.63 2cpt h GLU 36 Ca 0.47 -0.59 -0.06 0.00 -1.18 0.00 0.00 59.36 58.00 2cpt h GLU 36 Cb 0.63 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 2cpt h GLU 36 CO -0.34 1.20 -0.27 0.00 -1.18 0.00 0.00 179.01 178.42 2cpt h ALA 37 N 0.64 1.34 0.76 2.92 0.00 -0.49 -2.97 119.26 121.47 2cpt h ALA 37 Ca -0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2cpt h ALA 37 Cb 1.30 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.06 2cpt h ALA 37 CO 0.14 0.34 -0.37 1.25 0.00 0.00 0.00 179.25 180.61 2cpt h LEU 38 N 0.00 -0.87 -0.52 0.00 5.85 -0.42 -1.82 115.31 117.53 2cpt h LEU 38 Ca -0.00 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.85 2cpt h LEU 38 Cb 0.55 0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.71 2cpt h LEU 38 CO 0.04 -0.50 -0.09 1.56 -0.34 0.00 0.00 178.44 179.11 2cpt h GLN 39 N -1.26 0.03 -0.59 1.25 1.08 -1.54 0.16 115.11 114.24 2cpt h GLN 39 Ca -0.10 -0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.16 2cpt h GLN 39 Cb 0.79 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.18 2cpt h GLN 39 CO 0.17 0.02 0.39 -0.07 -0.95 0.00 0.00 178.83 178.40 2cpt h LEU 40 N 0.03 0.48 -0.75 1.46 3.38 -1.54 0.43 115.31 118.81 2cpt h LEU 40 Ca 0.26 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 2cpt h LEU 40 Cb 0.39 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2cpt h LEU 40 CO -0.51 0.31 -0.31 1.88 0.09 0.00 0.00 178.44 179.91 2cpt h TYR 41 N 0.55 0.70 -0.03 1.13 0.05 0.18 -2.34 116.97 117.21 2cpt h TYR 41 Ca 0.26 -0.17 -0.10 0.00 0.05 0.00 0.00 58.73 58.76 2cpt h TYR 41 Cb 0.31 -0.16 0.01 0.00 1.01 0.00 0.00 36.73 37.90 2cpt h TYR 41 CO -0.00 0.85 -0.37 1.96 -1.05 0.00 0.00 178.16 179.55 2cpt h GLN 42 N 0.52 0.30 0.54 4.88 4.20 -0.13 -3.29 115.11 122.13 2cpt h GLN 42 Ca 0.06 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 2cpt h GLN 42 Cb 0.79 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 2cpt h GLN 42 CO 0.06 0.96 -0.48 0.45 -0.67 0.00 0.00 178.83 179.16 2cpt h HIS 43 N -0.26 -1.32 -0.84 2.96 3.86 -0.97 -1.99 115.15 116.59 2cpt h HIS 43 Ca -0.04 0.00 0.22 0.00 -1.16 0.00 0.00 60.37 59.40 2cpt h HIS 43 Cb 1.07 0.50 -0.16 0.00 1.06 0.00 0.00 27.41 29.89 2cpt h HIS 43 CO 0.15 -0.65 -0.02 0.00 0.86 0.00 0.00 177.93 178.27 2cpt n ALA 44 N -2.77 0.39 -0.03 2.45 0.00 -0.89 0.96 120.51 120.63 2cpt n ALA 44 Ca -0.12 0.91 -0.11 0.00 0.00 0.00 0.00 53.44 54.11 2cpt n ALA 44 Cb 0.45 -0.64 -0.06 0.00 0.00 0.00 0.00 19.45 19.20 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 1.18 -0.55 0.00 2.07 -1.53 -1.14 116.25 116.29 2cpt h VAL 45 Ca 0.49 -0.57 0.11 0.00 0.82 0.00 0.00 66.70 67.56 2cpt h VAL 45 Cb 0.98 1.32 -0.10 0.00 -1.52 0.00 0.00 31.29 31.97 2cpt h VAL 45 CO -0.80 0.17 -0.14 1.56 0.02 0.00 0.00 177.57 178.38 2cpt h GLN 46 N 0.02 0.00 -0.15 1.57 1.08 0.13 0.46 115.11 118.23 2cpt h GLN 46 Ca 0.04 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2cpt h GLN 46 Cb 0.23 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2cpt h GLN 46 CO -0.00 0.00 0.01 1.88 -0.95 0.00 0.00 178.83 179.77 2cpt h TYR 47 N 0.00 0.28 -0.67 2.96 0.05 -1.22 -2.36 116.97 116.01 2cpt h TYR 47 Ca 0.26 -0.05 0.13 0.00 0.05 0.00 0.00 58.73 59.13 2cpt h TYR 47 Cb 0.40 -0.07 -0.09 0.00 1.01 0.00 0.00 36.73 37.97 2cpt h TYR 47 CO -0.46 0.47 0.17 0.74 -1.05 0.00 0.00 178.16 178.03 2cpt h PHE 48 N 0.01 0.28 0.65 4.88 0.04 -0.28 -2.42 116.94 120.10 2cpt h PHE 48 Ca 0.04 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.82 2cpt h PHE 48 Cb 0.35 -0.02 0.01 0.00 2.20 0.00 0.00 35.95 38.49 2cpt h PHE 48 CO 0.03 -0.03 -0.31 -0.07 -0.60 0.00 0.00 178.31 177.33 2cpt h LEU 49 N 0.30 -0.74 -1.15 1.54 3.38 -0.86 -2.78 115.31 114.99 2cpt h LEU 49 Ca 0.36 0.03 0.40 0.00 0.09 0.00 0.00 57.88 58.76 2cpt h LEU 49 Cb 0.56 0.19 -0.12 0.00 0.09 0.00 0.00 40.66 41.38 2cpt h LEU 49 CO -0.43 -0.48 0.74 1.57 0.09 0.00 0.00 178.44 179.93 2cpt n HIS 50 N -4.63 0.61 0.06 1.13 -0.00 -0.89 0.12 115.22 111.61 2cpt n HIS 50 Ca -0.11 0.62 -0.13 0.00 0.46 0.00 0.00 57.72 58.56 2cpt n HIS 50 Cb 0.34 -1.04 -0.09 0.00 -0.12 0.00 0.00 29.99 29.09 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 1.04 0.00 3.57 2.07 -1.22 -1.51 116.25 120.20 2cpt h VAL 51 Ca 0.75 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2cpt h VAL 51 Cb 2.38 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.72 2cpt h VAL 51 CO -0.41 0.20 0.00 0.52 0.02 0.00 0.00 177.57 177.90 2cpt n VAL 52 N -4.98 0.91 -0.06 2.57 0.31 0.31 0.21 118.33 117.61 2cpt n VAL 52 Ca -0.09 0.23 -0.05 0.00 -0.01 0.00 0.00 64.34 64.42 2cpt n VAL 52 Cb 0.24 -1.10 -0.02 0.00 -0.91 0.00 0.00 33.84 32.05 2cpt n VAL 52 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2cpt n LYS 53 N -1.31 0.35 -0.11 5.55 3.00 -0.44 -4.50 118.16 120.70 2cpt n LYS 53 Ca 0.03 0.28 -0.19 0.00 -0.00 0.00 0.00 58.31 58.44 2cpt n LYS 53 Cb 0.06 -1.27 -0.07 0.00 0.00 0.00 0.00 35.03 33.75 2cpt n LYS 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2cpt n TYR 54 N -3.90 0.13 -0.18 5.64 4.02 -0.59 -4.45 117.16 117.83 2cpt n TYR 54 Ca -0.08 0.06 -0.06 0.00 -0.01 0.00 0.00 57.90 57.82 2cpt n TYR 54 Cb 0.29 -0.78 0.02 0.00 -0.02 0.00 0.00 39.34 38.85 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 -4.38 1.27 -1.39 -0.72 1.02 -0.12 -4.94 120.64 111.38 2cpt n GLU 55 Ca -0.33 -0.57 -0.36 0.00 -0.02 0.00 0.00 57.16 55.88 2cpt n GLU 55 Cb 0.67 -1.22 0.08 0.00 -0.02 0.00 0.00 31.44 30.95 2cpt n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2cpt n ALA 56 N 0.74 -0.44 -0.01 0.62 0.00 0.56 -4.52 120.51 117.46 2cpt n ALA 56 Ca 0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 53.44 53.37 2cpt n ALA 56 Cb 0.60 -2.06 -0.01 0.00 0.00 0.00 0.00 19.45 17.98 2cpt n ALA 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2cpt n GLN 57 N -1.47 0.12 -3.62 0.00 1.13 -1.26 -4.99 117.38 107.29 2cpt n GLN 57 Ca 0.13 0.05 -0.08 0.00 -1.94 0.00 0.00 57.00 55.15 2cpt n GLN 57 Cb 0.49 -0.57 -0.06 0.00 0.11 0.00 0.00 30.24 30.21 2cpt n GLN 57 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2cpt s GLY 58 N -3.68 -0.09 0.50 1.08 0.00 -1.26 -4.96 107.32 98.91 2cpt s GLY 58 Ca -0.07 2.60 0.39 0.00 0.00 0.00 0.00 44.72 47.64 2cpt s GLY 58 CO 0.10 1.49 1.31 2.09 0.00 0.00 0.00 173.10 178.08 2cpt n ASP 59 N 1.40 0.00 -0.04 1.64 5.75 -1.26 0.17 116.55 124.22 2cpt n ASP 59 Ca -0.10 0.82 -0.14 0.00 -0.01 0.00 0.00 54.79 55.36 2cpt n ASP 59 Cb 0.57 -0.38 -0.12 0.00 -1.03 0.00 0.00 41.12 40.16 2cpt n ASP 59 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2cpt h LYS 60 N 0.00 0.07 -0.37 0.11 1.79 -2.01 -3.19 116.57 112.96 2cpt h LYS 60 Ca 0.73 -0.07 -0.09 0.00 -2.18 0.00 0.00 60.65 59.03 2cpt h LYS 60 Cb 3.13 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 33.78 2cpt h LYS 60 CO -0.01 0.85 -0.14 0.00 -1.08 0.00 0.00 179.45 179.07 2cpt h ALA 61 N 0.22 1.05 0.14 3.86 0.00 0.14 -3.12 119.26 121.55 2cpt h ALA 61 Ca -0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2cpt h ALA 61 Cb 0.89 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2cpt h ALA 61 CO 0.02 0.58 -0.20 0.87 0.00 0.00 0.00 179.25 180.52 2cpt h LYS 62 N 0.61 -0.34 -0.96 0.00 6.56 -0.90 -1.34 116.57 120.20 2cpt h LYS 62 Ca 0.10 0.02 0.28 0.00 -1.06 0.00 0.00 60.65 60.00 2cpt h LYS 62 Cb 0.59 0.08 -0.15 0.00 -0.57 0.00 0.00 32.23 32.19 2cpt h LYS 62 CO 0.04 -0.23 0.44 -0.56 -2.06 0.00 0.00 179.45 177.08 2cpt h GLN 63 N -0.35 0.28 0.43 3.15 3.07 -1.60 0.49 115.11 120.57 2cpt h GLN 63 Ca -0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.70 2cpt h GLN 63 Cb 0.32 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.80 2cpt h GLN 63 CO -0.06 0.19 -0.35 1.03 0.09 0.00 0.00 178.83 179.73 2cpt h SER 64 N 0.29 -0.92 -0.26 0.06 0.87 -1.35 -1.35 113.55 110.89 2cpt h SER 64 Ca 0.66 0.07 0.02 0.00 -1.23 0.00 0.00 61.79 61.31 2cpt h SER 64 Cb 1.43 0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 63.66 2cpt h SER 64 CO -0.62 -0.51 0.12 0.40 -0.53 0.00 0.00 176.83 175.69 2cpt h ILE 65 N -0.77 0.98 -0.53 2.23 2.04 0.07 -2.74 117.51 118.79 2cpt h ILE 65 Ca -0.04 -0.09 0.11 0.00 1.00 0.00 0.00 64.86 65.84 2cpt h ILE 65 Cb 0.67 0.70 -0.10 0.00 -0.74 0.00 0.00 36.82 37.36 2cpt h ILE 65 CO -0.01 0.05 -0.10 0.03 0.00 0.00 0.00 178.15 178.11 2cpt h ARG 66 N 0.25 0.02 -1.01 2.37 3.08 -0.81 0.66 114.38 118.94 2cpt h ARG 66 Ca 0.11 -0.00 0.27 0.00 0.07 0.00 0.00 59.98 60.43 2cpt h ARG 66 Cb 0.04 -0.00 -0.13 0.00 0.08 0.00 0.00 29.97 29.96 2cpt h ARG 66 CO -0.08 0.01 0.59 0.00 -1.07 0.00 0.00 179.97 179.42 2cpt h ALA 67 N 1.52 1.86 -0.21 0.04 0.00 -0.93 0.16 119.26 121.69 2cpt h ALA 67 Ca 0.26 0.15 -0.13 0.00 0.00 0.00 0.00 54.91 55.18 2cpt h ALA 67 Cb 0.40 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2cpt h ALA 67 CO -0.52 -0.38 -0.37 0.87 0.00 0.00 0.00 179.25 178.84 2cpt h LYS 68 N 0.49 0.63 -0.88 0.00 6.56 -0.88 -2.69 116.57 119.80 2cpt h LYS 68 Ca 0.68 -0.39 0.14 0.00 -1.06 0.00 0.00 60.65 60.02 2cpt h LYS 68 Cb 1.39 0.04 -0.09 0.00 -0.57 0.00 0.00 32.23 33.01 2cpt h LYS 68 CO -0.52 1.01 0.48 0.00 -2.06 0.00 0.00 179.45 178.36 2cpt h THR 70 N 0.70 1.29 0.29 0.00 2.02 -1.33 -0.51 112.91 115.36 2cpt h THR 70 Ca 0.47 -1.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.12 2cpt h THR 70 Cb 0.63 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2cpt h THR 70 CO -0.34 0.50 -0.14 -0.08 0.37 0.00 0.00 175.52 175.83 2cpt h GLU 71 N 0.59 -0.37 -0.23 6.66 4.57 -0.89 -0.70 114.58 124.21 2cpt h GLU 71 Ca 0.05 0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.19 2cpt h GLU 71 Cb 0.93 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.59 2cpt h GLU 71 CO 0.08 -0.17 -0.13 1.88 -1.18 0.00 0.00 179.01 179.50 2cpt h TYR 72 N -0.50 0.41 -0.18 0.92 0.05 -0.87 -2.22 116.97 114.57 2cpt h TYR 72 Ca -0.04 -0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.66 2cpt h TYR 72 Cb 0.38 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 2cpt h TYR 72 CO -0.03 0.51 0.03 -0.07 -1.05 0.00 0.00 178.16 177.56 2cpt h LEU 73 N 0.36 0.28 -0.01 3.88 3.38 -0.89 -2.79 115.31 119.53 2cpt h LEU 73 Ca 0.07 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 2cpt h LEU 73 Cb 0.44 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2cpt h LEU 73 CO 0.03 0.46 0.01 -0.78 0.09 0.00 0.00 178.44 178.24 2cpt h ASP 74 N 0.09 0.01 -0.99 -0.43 1.82 -0.95 -2.36 116.42 113.62 2cpt h ASP 74 Ca 0.06 -0.08 0.24 0.00 -0.39 0.00 0.00 57.03 56.85 2cpt h ASP 74 Cb 0.29 -0.00 -0.12 0.00 0.68 0.00 0.00 39.33 40.18 2cpt h ASP 74 CO 0.00 0.09 0.58 -0.09 -1.61 0.00 0.00 179.24 178.21 2cpt h ARG 75 N -0.06 0.57 -0.04 0.28 9.65 -1.39 -0.61 114.38 122.77 2cpt h ARG 75 Ca 0.00 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 2cpt h ARG 75 Cb 0.08 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.53 2cpt h ARG 75 CO -0.00 0.38 -0.00 0.00 2.80 0.00 0.00 179.97 183.14 2cpt h ALA 76 N 1.72 0.06 -0.90 2.80 0.00 -1.19 -3.14 119.26 118.60 2cpt h ALA 76 Ca 0.63 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.59 2cpt h ALA 76 Cb 1.17 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.78 2cpt h ALA 76 CO -0.47 -0.25 -0.03 0.39 0.00 0.00 0.00 179.25 178.89 2cpt n GLU 77 N -4.87 -0.07 0.04 0.00 1.02 -0.25 0.60 120.64 117.11 2cpt n GLU 77 Ca -0.07 1.36 -0.13 0.00 -0.02 0.00 0.00 57.16 58.30 2cpt n GLU 77 Cb 0.20 -2.14 -0.08 0.00 -0.02 0.00 0.00 31.44 29.40 2cpt n GLU 77 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2cpt h LYS 78 N 0.00 -0.05 -1.05 3.49 1.79 -1.49 -2.38 116.57 116.88 2cpt h LYS 78 Ca 0.52 0.00 0.30 0.00 -2.18 0.00 0.00 60.65 59.30 2cpt h LYS 78 Cb 1.03 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.65 2cpt h LYS 78 CO -0.86 0.10 0.79 -0.07 -1.08 0.00 0.00 179.45 178.32 2cpt h LEU 79 N -0.19 0.00 0.03 2.94 3.38 0.19 0.27 115.31 121.93 2cpt h LEU 79 Ca -0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 2cpt h LEU 79 Cb 0.18 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.94 2cpt h LEU 79 CO 0.01 0.00 -0.78 0.11 0.09 0.00 0.00 178.44 177.87 2cpt h LYS 80 N 0.00 0.48 0.00 1.13 1.57 -0.85 -0.72 116.57 118.18 2cpt h LYS 80 Ca 0.50 -0.55 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2cpt h LYS 80 Cb 2.06 0.17 0.00 0.00 0.08 0.00 0.00 32.23 34.54 2cpt h LYS 80 CO -0.01 1.19 0.00 0.39 -0.57 0.00 0.00 179.45 180.46 2cpt n GLU 81 N -4.09 0.25 -0.09 3.15 -0.58 0.85 -1.66 120.64 118.47 2cpt n GLU 81 Ca -0.11 0.12 -0.16 0.00 -0.42 0.00 0.00 57.16 56.59 2cpt n GLU 81 Cb 0.76 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 30.06 2cpt n GLU 81 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 2cpt n TYR 82 N -1.26 0.00 0.05 -0.32 9.36 -0.59 -4.33 117.16 120.07 2cpt n TYR 82 Ca 0.08 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.28 2cpt n TYR 82 Cb 0.12 -0.66 0.23 0.00 -0.63 0.00 0.00 39.34 38.41 2cpt n TYR 82 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2cpt h LEU 83 N -0.35 0.38 -0.77 2.98 3.38 -1.07 -2.17 115.31 117.69 2cpt h LEU 83 Ca -0.43 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2cpt h LEU 83 Cb 1.49 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.14 2cpt h LEU 83 CO -0.18 0.65 0.00 0.07 0.09 0.00 0.00 178.44 179.07 2cpt h LYS 84 N 0.33 0.00 -0.00 1.13 2.10 -1.55 -2.33 116.57 116.24 2cpt h LYS 84 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 2cpt h LYS 84 Cb 0.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 2cpt h LYS 84 CO 0.05 0.00 -0.62 -1.71 -2.00 0.00 0.00 179.45 175.17 2cpt n ASN 85 N -2.44 0.79 -0.06 7.07 2.85 -0.83 -4.36 115.26 118.27 2cpt n ASN 85 Ca 0.02 -0.61 -0.04 0.00 -0.11 0.00 0.00 54.58 53.84 2cpt n ASN 85 Cb 0.28 0.47 -0.02 0.00 1.24 0.00 0.00 39.78 41.74 2cpt n ASN 85 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2cpt h LYS 86 N 0.26 0.00 -5.40 1.20 3.64 -1.26 -3.47 116.57 111.54 2cpt h LYS 86 Ca 0.00 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.87 2cpt h LYS 86 Cb 0.51 0.00 0.19 0.00 -0.41 0.00 0.00 32.23 32.53 2cpt h LYS 86 CO 0.00 0.17 -1.41 -1.91 -2.27 0.00 0.00 179.45 174.02 2cpt n GLU 87 N -4.70 0.00 -1.05 1.90 2.13 -1.21 -4.62 120.64 113.09 2cpt n GLU 87 Ca -0.04 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.39 2cpt n GLU 87 Cb 0.15 -0.90 -0.04 0.00 0.27 0.00 0.00 31.44 30.93 2cpt n GLU 87 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2cpt n LYS 88 N 1.88 0.00 -4.42 5.31 4.81 -1.26 -4.96 118.16 119.51 2cpt n LYS 88 Ca 0.02 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.23 2cpt n LYS 88 Cb 0.47 -0.87 -0.08 0.00 0.02 0.00 0.00 35.03 34.57 2cpt n LYS 88 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2cpt s LYS 89 N -0.44 1.85 0.67 1.64 2.20 -1.26 -5.08 119.74 119.33 2cpt s LYS 89 Ca 0.54 -2.11 -0.17 0.00 -0.36 0.00 0.00 55.97 53.87 2cpt s LYS 89 Cb -0.77 -0.23 -0.06 0.00 -1.51 0.00 0.00 37.83 35.25 2cpt s LYS 89 CO 0.41 -0.55 0.43 0.00 -0.36 0.00 0.00 175.35 175.28 2cpt n ALA 90 N -0.79 -1.67 -3.76 3.13 0.00 -1.26 -2.70 120.51 113.45 2cpt n ALA 90 Ca -0.01 -0.18 -0.23 0.00 0.00 0.00 0.00 53.44 53.02 2cpt n ALA 90 Cb 0.64 -1.79 0.03 0.00 0.00 0.00 0.00 19.45 18.33 2cpt n ALA 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2cpt n GLN 91 N -0.25 -4.95 -1.70 0.00 3.00 -1.26 -4.90 117.38 107.33 2cpt n GLN 91 Ca 0.10 0.60 -0.38 0.00 -0.01 0.00 0.00 57.00 57.31 2cpt n GLN 91 Cb 0.49 -5.20 0.05 0.00 0.00 0.00 0.00 30.24 25.58 2cpt n GLN 91 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 2cpt n LYS 92 N -4.36 1.27 -1.12 -1.09 2.85 -1.10 -4.99 118.16 109.62 2cpt n LYS 92 Ca -0.23 0.48 -0.29 0.00 -1.05 0.00 0.00 58.31 57.21 2cpt n LYS 92 Cb 0.65 -2.42 0.21 0.00 -0.65 0.00 0.00 35.03 32.82 2cpt n LYS 92 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2cpt s PRO 93 N -2.97 -0.57 -1.09 -1.58 0.04 -1.26 -4.90 135.00 122.68 2cpt s PRO 93 Ca 0.76 0.16 -0.22 0.00 0.04 0.00 0.00 61.00 61.74 2cpt s PRO 93 Cb -0.41 -1.65 0.02 0.00 0.04 0.00 0.00 34.50 32.49 2cpt s PRO 93 CO 0.46 -3.33 1.69 0.08 0.04 0.00 0.00 177.00 175.94 2cpt s VAL 94 N -2.99 3.82 -0.30 -0.36 1.01 -1.26 -4.80 120.40 115.52 2cpt s VAL 94 Ca 0.69 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 2cpt s VAL 94 Cb -0.13 -4.81 0.18 0.00 0.00 0.00 0.00 36.38 31.61 2cpt s VAL 94 CO 0.57 -1.63 1.02 -0.75 0.00 0.00 0.00 175.10 174.31 2cpt s LYS 95 N 5.41 0.21 0.18 2.72 2.47 -1.26 -5.04 119.74 124.43 2cpt s LYS 95 Ca 0.56 0.39 -0.13 0.00 -1.56 0.00 0.00 55.97 55.22 2cpt s LYS 95 Cb -0.01 0.22 0.08 0.00 -1.46 0.00 0.00 37.83 36.66 2cpt s LYS 95 CO -0.01 -0.22 1.83 1.49 0.16 0.00 0.00 175.35 178.60 2cpt h GLU 96 N 7.96 0.76 -6.71 4.03 4.81 -2.03 -3.47 114.58 119.94 2cpt h GLU 96 Ca -0.14 -0.06 -0.47 0.00 -0.13 0.00 0.00 59.36 58.56 2cpt h GLU 96 Cb 1.17 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 30.39 2cpt h GLU 96 CO -0.06 0.53 -1.14 0.41 -0.73 0.00 0.00 179.01 178.02 2cpt n GLY 97 N -1.19 -0.90 3.59 1.92 0.00 -1.26 -4.98 105.19 102.37 2cpt n GLY 97 Ca 0.04 0.76 -0.12 0.00 0.00 0.00 0.00 46.02 46.69 2cpt n GLY 97 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cpt s GLN 98 N -4.28 0.76 0.97 1.61 2.00 -1.26 -5.17 119.66 114.28 2cpt s GLN 98 Ca 0.10 1.02 -0.12 0.00 -2.00 0.00 0.00 55.36 54.36 2cpt s GLN 98 Cb -0.01 0.31 0.17 0.00 0.80 0.00 0.00 33.01 34.28 2cpt s GLN 98 CO 0.89 -0.11 1.09 -1.25 -0.50 0.00 0.00 175.29 175.41 2cpt s PRO 99 N 0.75 0.66 -0.06 1.67 0.04 -1.26 -5.09 135.00 131.71 2cpt s PRO 99 Ca -0.03 0.62 -0.24 0.00 0.04 0.00 0.00 61.00 61.38 2cpt s PRO 99 Cb -0.05 -1.76 0.05 0.00 0.04 0.00 0.00 34.50 32.79 2cpt s PRO 99 CO -0.05 -2.60 0.55 -1.12 0.04 0.00 0.00 177.00 173.82 2cpt s SER 100 N -3.43 -0.50 0.01 6.66 0.01 -1.26 -5.14 113.70 110.04 2cpt s SER 100 Ca 0.65 0.58 -0.30 0.00 1.31 0.00 0.00 55.95 58.18 2cpt s SER 100 Cb -0.18 0.55 -0.06 0.00 0.21 0.00 0.00 66.02 66.54 2cpt s SER 100 CO 0.57 -0.50 1.44 -2.16 0.41 0.00 0.00 173.24 173.00 2cpt s PRO 101 N -1.03 4.27 -0.10 12.44 0.04 -1.26 -4.95 135.00 144.40 2cpt s PRO 101 Ca -0.10 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 62.90 2cpt s PRO 101 Cb -0.02 -3.58 -0.02 0.00 0.04 0.00 0.00 34.50 30.92 2cpt s PRO 101 CO 0.07 -0.60 -0.10 0.00 0.04 0.00 0.00 177.00 176.41 2cpt h ALA 102 N 7.92 0.00 -3.04 8.56 0.00 -2.06 -3.46 119.26 127.18 2cpt h ALA 102 Ca -0.38 -0.33 -0.66 0.00 0.00 0.00 0.00 54.91 53.54 2cpt h ALA 102 Cb 1.18 0.29 -0.28 0.00 0.00 0.00 0.00 17.79 18.98 2cpt h ALA 102 CO 0.91 0.29 -0.72 -0.51 0.00 0.00 0.00 179.25 179.22 2cpt s ASP 103 N -5.19 4.37 -0.28 0.00 1.01 -1.26 -5.06 116.67 110.26 2cpt s ASP 103 Ca -0.08 -0.50 -0.00 0.00 0.71 0.00 0.00 52.55 52.68 2cpt s ASP 103 Cb 0.01 -1.74 0.17 0.00 1.01 0.00 0.00 42.92 42.37 2cpt s ASP 103 CO 0.12 -0.05 0.50 -0.70 0.21 0.00 0.00 175.17 175.25 2cpt s GLU 104 N 1.46 0.48 -0.21 8.23 2.56 -1.26 -5.15 118.70 124.80 2cpt s GLU 104 Ca 0.05 0.67 -0.27 0.00 0.00 0.00 0.00 54.97 55.42 2cpt s GLU 104 Cb -0.15 0.07 0.11 0.00 2.00 0.00 0.00 34.13 36.16 2cpt s GLU 104 CO -0.03 -0.75 0.91 -1.59 -0.56 0.00 0.00 175.26 173.24 2cpt s LYS 105 N 2.71 0.68 -0.06 4.30 -2.85 -1.26 -5.18 119.74 118.08 2cpt s LYS 105 Ca 0.15 0.49 -0.23 0.00 -1.00 0.00 0.00 55.97 55.38 2cpt s LYS 105 Cb -0.14 0.32 0.05 0.00 -2.06 0.00 0.00 37.83 36.00 2cpt s LYS 105 CO -0.21 -0.14 0.52 0.20 0.10 0.00 0.00 175.35 175.82 2cpt s GLY 106 N -0.34 -0.40 0.22 0.59 0.00 -1.26 -5.18 107.32 100.96 2cpt s GLY 106 Ca -0.01 0.98 -0.20 0.00 0.00 0.00 0.00 44.72 45.49 2cpt s GLY 106 CO -0.00 0.69 0.61 0.21 0.00 0.00 0.00 173.10 174.61 2cpt s ASN 107 N -1.05 -0.33 0.28 1.64 3.84 -1.26 -5.19 114.94 112.88 2cpt s ASN 107 Ca -0.11 -0.43 0.03 0.00 0.21 0.00 0.00 52.86 52.57 2cpt s ASN 107 Cb -0.02 0.64 -0.06 0.00 -0.55 0.00 0.00 41.25 41.25 2cpt s ASN 107 CO 0.07 -1.14 0.04 -1.81 -2.79 0.00 0.00 177.10 171.46 2cpt s ASP 108 N -2.87 2.03 0.27 -4.21 1.01 -1.26 -5.17 116.67 106.47 2cpt s ASP 108 Ca 0.08 -1.32 -0.06 0.00 0.71 0.00 0.00 52.55 51.97 2cpt s ASP 108 Cb -0.03 -0.02 -0.01 0.00 1.01 0.00 0.00 42.92 43.87 2cpt s ASP 108 CO -0.01 -0.58 0.39 -0.94 0.21 0.00 0.00 175.17 174.23 2cpt s SER 109 N -3.40 0.30 0.29 0.27 1.04 -1.26 -5.19 113.70 105.76 2cpt s SER 109 Ca 0.34 -1.23 0.04 0.00 0.48 0.00 0.00 55.95 55.59 2cpt s SER 109 Cb 0.07 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.72 2cpt s SER 109 CO 0.13 -1.11 0.24 1.51 0.98 0.00 0.00 173.24 174.99 2cpt s ASP 110 N -3.13 1.18 0.25 7.02 1.47 -1.26 -5.18 116.67 117.02 2cpt s ASP 110 Ca 0.29 -1.63 -0.14 0.00 1.18 0.00 0.00 52.55 52.25 2cpt s ASP 110 Cb 0.01 0.51 0.00 0.00 -0.34 0.00 0.00 42.92 43.10 2cpt s ASP 110 CO 0.13 -1.00 0.52 -0.83 0.68 0.00 0.00 175.17 174.68 2cpt s GLY 111 N -3.30 0.41 0.20 2.12 0.00 -1.26 -5.19 107.32 100.31 2cpt s GLY 111 Ca 0.40 -0.77 -0.08 0.00 0.00 0.00 0.00 44.72 44.27 2cpt s GLY 111 CO 0.23 -0.52 0.30 -1.35 0.00 0.00 0.00 173.10 171.76 2cpt s SER 112 N -3.00 0.03 0.03 1.64 1.04 -1.26 -5.18 113.70 107.01 2cpt s SER 112 Ca 0.20 -1.03 0.03 0.00 0.48 0.00 0.00 55.95 55.63 2cpt s SER 112 Cb -0.02 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 2cpt s SER 112 CO 0.09 -0.96 -0.09 -0.83 0.98 0.00 0.00 173.24 172.42 2cpt s GLY 113 N -3.04 0.54 0.00 7.32 0.00 -1.26 -5.16 107.32 105.73 2cpt s GLY 113 Ca 0.25 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.28 2cpt s GLY 113 CO 0.06 -0.70 0.00 -1.55 0.00 0.00 0.00 173.10 170.91 2cpt n PRO 114 N 1.84 -0.74 -4.14 2.90 -0.04 -1.26 -5.10 135.00 128.46 2cpt n PRO 114 Ca -0.20 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.15 2cpt n PRO 114 Cb 0.55 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.93 2cpt n PRO 114 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cpt s SER 115 N -1.52 0.08 0.38 3.54 0.01 -1.26 -5.18 113.70 109.76 2cpt s SER 115 Ca 0.00 -1.26 0.08 0.00 1.31 0.00 0.00 55.95 56.08 2cpt s SER 115 Cb 0.00 0.44 -0.04 0.00 0.21 0.00 0.00 66.02 66.63 2cpt s SER 115 CO 0.00 -0.92 0.23 -0.55 0.41 0.00 0.00 173.24 172.41 2cpt s SER 116 N -3.12 4.76 0.00 2.44 0.15 -1.26 -5.38 113.70 111.28 2cpt s SER 116 Ca 0.34 -0.84 0.00 0.00 0.70 0.00 0.00 55.95 56.15 2cpt s SER 116 Cb 0.05 -0.63 0.00 0.00 -1.71 0.00 0.00 66.02 63.73 2cpt s SER 116 CO 0.11 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.68