#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 6.61 0.57 1.61 0.15 -1.26 -5.07 113.70 116.31 2cpt s SER 2 Ca 0.00 0.72 -0.16 0.00 0.70 0.00 0.00 55.95 57.21 2cpt s SER 2 Cb 0.00 -2.24 -0.05 0.00 -1.71 0.00 0.00 66.02 62.02 2cpt s SER 2 CO 0.00 0.08 1.05 -0.44 1.20 0.00 0.00 173.24 175.13 2cpt s SER 3 N 0.33 5.96 -0.07 5.45 0.01 -1.26 -5.06 113.70 119.06 2cpt s SER 3 Ca 0.22 1.79 0.04 0.00 1.31 0.00 0.00 55.95 59.31 2cpt s SER 3 Cb -0.14 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 63.55 2cpt s SER 3 CO 0.08 -1.05 -0.21 -0.83 0.41 0.00 0.00 173.24 171.65 2cpt s GLY 4 N -2.77 1.14 -0.05 3.44 0.00 -1.26 -5.12 107.32 102.70 2cpt s GLY 4 Ca 0.63 -0.83 -0.26 0.00 0.00 0.00 0.00 44.72 44.26 2cpt s GLY 4 CO 0.35 -0.33 0.58 -1.35 0.00 0.00 0.00 173.10 172.36 2cpt s SER 5 N 0.22 -0.54 -0.08 1.64 1.04 -1.26 -5.16 113.70 109.56 2cpt s SER 5 Ca -0.12 0.59 0.02 0.00 0.48 0.00 0.00 55.95 56.92 2cpt s SER 5 Cb -0.15 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.50 2cpt s SER 5 CO 0.05 -0.55 -0.12 -0.55 0.98 0.00 0.00 173.24 173.06 2cpt s SER 6 N -1.14 1.86 0.00 7.02 0.15 -1.26 -5.10 113.70 115.23 2cpt s SER 6 Ca -0.11 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.24 2cpt s SER 6 Cb -0.02 -0.84 0.00 0.00 -1.71 0.00 0.00 66.02 63.46 2cpt s SER 6 CO 0.08 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.14 2cpt n GLY 7 N 4.02 4.38 0.08 9.45 0.00 -1.26 -5.03 105.19 116.85 2cpt n GLY 7 Ca -0.21 -1.46 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 2cpt n GLY 7 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2cpt h MET 8 N 0.00 0.00 -4.79 1.61 0.00 -2.10 -3.46 114.93 106.19 2cpt h MET 8 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 59.70 59.09 2cpt h MET 8 Cb 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 31.60 31.25 2cpt h MET 8 CO 0.00 0.48 -0.84 -1.12 0.00 0.00 0.00 176.91 175.43 2cpt s SER 9 N -6.24 2.66 -0.22 1.22 0.01 -1.26 -5.10 113.70 104.77 2cpt s SER 9 Ca -0.20 -0.49 -0.06 0.00 1.31 0.00 0.00 55.95 56.51 2cpt s SER 9 Cb 0.03 -1.19 0.10 0.00 0.21 0.00 0.00 66.02 65.18 2cpt s SER 9 CO 0.39 -0.01 0.43 -0.44 0.41 0.00 0.00 173.24 174.03 2cpt s SER 10 N 1.18 -0.26 -0.28 2.44 0.01 -1.26 -5.15 113.70 110.39 2cpt s SER 10 Ca -0.01 0.88 -0.25 0.00 1.31 0.00 0.00 55.95 57.88 2cpt s SER 10 Cb -0.14 1.39 0.16 0.00 0.21 0.00 0.00 66.02 67.64 2cpt s SER 10 CO -0.06 -0.24 1.23 0.28 0.41 0.00 0.00 173.24 174.86 2cpt s THR 11 N 2.63 0.00 0.94 1.44 -1.32 -1.26 -5.16 115.64 112.91 2cpt s THR 11 Ca 0.01 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.39 2cpt s THR 11 Cb -0.13 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 69.99 2cpt s THR 11 CO -0.14 0.00 0.94 -1.20 -2.21 0.00 0.00 174.62 172.01 2cpt n SER 12 N 1.77 -0.42 -0.03 8.08 7.64 -1.26 -4.79 113.62 124.61 2cpt n SER 12 Ca -0.11 0.36 -0.13 0.00 1.01 0.00 0.00 58.87 60.00 2cpt n SER 12 Cb 0.57 -1.39 -0.09 0.00 -1.01 0.00 0.00 64.21 62.29 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 -1.87 0.16 -0.83 1.43 0.13 -2.02 -1.33 132.00 127.69 2cpt h PRO 13 Ca -0.44 -0.09 0.14 0.00 -0.87 0.00 0.00 66.00 64.74 2cpt h PRO 13 Cb 1.28 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.32 2cpt h PRO 13 CO 0.40 0.61 0.41 -2.95 -0.23 0.00 0.00 178.00 176.24 2cpt h ASN 14 N -0.27 0.49 -0.08 1.44 -1.07 -1.96 0.11 115.58 114.23 2cpt h ASN 14 Ca 0.01 0.09 -0.11 0.00 0.07 0.00 0.00 56.30 56.37 2cpt h ASN 14 Cb 0.58 0.02 0.00 0.00 -2.07 0.00 0.00 38.32 36.85 2cpt h ASN 14 CO 0.02 0.21 -0.36 0.25 0.07 0.00 0.00 177.43 177.61 2cpt h LEU 15 N 0.60 0.46 -0.31 6.14 5.85 -1.86 -3.17 115.31 123.02 2cpt h LEU 15 Ca 0.45 -0.64 0.05 0.00 0.84 0.00 0.00 57.88 58.58 2cpt h LEU 15 Cb 0.63 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 2cpt h LEU 15 CO -0.36 1.02 -0.01 -0.61 -0.34 0.00 0.00 178.44 178.15 2cpt h GLN 16 N -0.08 0.08 -0.87 1.25 5.75 -0.44 -1.01 115.11 119.80 2cpt h GLN 16 Ca -0.02 -0.00 0.16 0.00 -0.15 0.00 0.00 58.65 58.63 2cpt h GLN 16 Cb 1.01 -0.02 -0.07 0.00 1.07 0.00 0.00 27.48 29.47 2cpt h GLN 16 CO 0.08 0.05 0.56 -0.22 -2.65 0.00 0.00 178.83 176.65 2cpt h LYS 17 N 0.08 0.57 0.10 1.69 3.64 -0.89 -1.63 116.57 120.13 2cpt h LYS 17 Ca 0.15 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2cpt h LYS 17 Cb 0.20 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2cpt h LYS 17 CO -0.26 0.38 -0.05 0.00 -2.27 0.00 0.00 179.45 177.25 2cpt h ALA 18 N 1.61 -0.14 0.30 5.00 0.00 -1.18 -2.13 119.26 122.73 2cpt h ALA 18 Ca 0.44 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2cpt h ALA 18 Cb 0.83 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2cpt h ALA 18 CO -0.19 -0.43 -0.42 0.82 0.00 0.00 0.00 179.25 179.03 2cpt h ILE 19 N -0.43 0.16 -0.78 0.00 2.04 -0.72 -1.12 117.51 116.66 2cpt h ILE 19 Ca -0.01 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.00 2cpt h ILE 19 Cb 0.36 0.16 -0.10 0.00 -0.74 0.00 0.00 36.82 36.50 2cpt h ILE 19 CO 0.02 0.00 0.31 -0.78 0.00 0.00 0.00 178.15 177.70 2cpt h ASP 20 N -0.77 0.28 0.29 1.72 1.82 -1.39 -0.87 116.42 117.50 2cpt h ASP 20 Ca -0.02 0.12 -0.00 0.00 -0.39 0.00 0.00 57.03 56.74 2cpt h ASP 20 Cb 0.72 0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.82 2cpt h ASP 20 CO -0.13 0.08 -0.25 -0.07 -1.61 0.00 0.00 179.24 177.25 2cpt h LEU 21 N 0.43 -0.67 -0.82 2.28 3.38 -0.81 0.27 115.31 119.38 2cpt h LEU 21 Ca 0.44 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.57 2cpt h LEU 21 Cb 0.71 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.60 2cpt h LEU 21 CO -0.43 -0.38 0.45 0.00 0.09 0.00 0.00 178.44 178.17 2cpt h ALA 22 N 0.07 1.17 0.01 1.53 0.00 -0.38 -1.75 119.26 119.92 2cpt h ALA 22 Ca -0.02 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2cpt h ALA 22 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2cpt h ALA 22 CO -0.03 0.04 -0.01 1.03 0.00 0.00 0.00 179.25 180.29 2cpt h SER 23 N 0.73 -0.02 -0.40 0.00 0.87 -0.79 -3.06 113.55 110.88 2cpt h SER 23 Ca 0.40 -0.14 0.08 0.00 -1.23 0.00 0.00 61.79 60.91 2cpt h SER 23 Cb 0.42 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.31 2cpt h SER 23 CO -0.27 0.13 -0.09 0.50 -0.53 0.00 0.00 176.83 176.56 2cpt h LYS 24 N -0.16 0.01 -0.82 2.24 3.64 -0.37 -2.00 116.57 119.11 2cpt h LYS 24 Ca -0.00 -0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.53 2cpt h LYS 24 Cb 0.15 -0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 31.82 2cpt h LYS 24 CO 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 179.45 176.90 2cpt h ALA 25 N 1.40 0.31 -0.38 5.00 0.00 -1.24 0.78 119.26 125.13 2cpt h ALA 25 Ca 0.19 0.28 0.08 0.00 0.00 0.00 0.00 54.91 55.46 2cpt h ALA 25 Cb 0.30 0.77 -0.09 0.00 0.00 0.00 0.00 17.79 18.77 2cpt h ALA 25 CO -0.41 -0.53 -0.22 0.00 0.00 0.00 0.00 179.25 178.10 2cpt h ALA 26 N 1.51 0.04 -0.69 0.00 0.00 -1.34 -0.26 119.26 118.53 2cpt h ALA 26 Ca 0.35 0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.54 2cpt h ALA 26 Cb 0.60 0.51 -0.11 0.00 0.00 0.00 0.00 17.79 18.78 2cpt h ALA 26 CO -0.86 -0.59 0.08 1.96 0.00 0.00 0.00 179.25 179.84 2cpt h GLN 27 N -0.15 0.17 0.19 0.00 4.20 -0.78 0.15 115.11 118.89 2cpt h GLN 27 Ca 0.19 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 2cpt h GLN 27 Cb 0.44 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2cpt h GLN 27 CO -0.48 0.12 -0.09 0.93 -0.67 0.00 0.00 178.83 178.64 2cpt h GLU 28 N 0.18 -0.24 -0.96 1.46 4.39 -0.76 -0.71 114.58 117.94 2cpt h GLU 28 Ca 0.38 0.02 0.14 0.00 0.34 0.00 0.00 59.36 60.23 2cpt h GLU 28 Cb 0.63 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.25 2cpt h GLU 28 CO -0.54 -0.03 0.61 0.22 -1.16 0.00 0.00 179.01 178.11 2cpt h ASP 29 N -0.42 0.81 0.51 1.42 3.58 -0.16 0.31 116.42 122.47 2cpt h ASP 29 Ca -0.03 0.05 -0.14 0.00 0.42 0.00 0.00 57.03 57.34 2cpt h ASP 29 Cb 0.32 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 2cpt h ASP 29 CO 0.04 0.40 -0.61 0.50 -2.88 0.00 0.00 179.24 176.69 2cpt h LYS 30 N 0.85 0.10 -0.00 0.28 3.64 -0.53 -2.71 116.57 118.20 2cpt h LYS 30 Ca 0.49 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 2cpt h LYS 30 Cb 0.63 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2cpt h LYS 30 CO -0.26 0.68 -0.03 0.00 -2.27 0.00 0.00 179.45 177.58 2cpt n ALA 31 N -2.44 2.66 0.00 5.00 0.00 0.16 -4.88 120.51 121.01 2cpt n ALA 31 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2cpt n ALA 31 Cb 0.62 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.65 2cpt n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cpt n GLY 32 N 1.13 0.67 3.56 0.00 0.00 -0.37 -5.01 105.19 105.17 2cpt n GLY 32 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.02 6.28 -0.04 1.61 0.01 0.86 -4.79 114.94 116.85 2cpt s ASN 33 Ca 0.00 -1.25 -0.20 0.00 -0.71 0.00 0.00 52.86 50.71 2cpt s ASN 33 Cb 0.00 -2.57 -0.32 0.00 0.41 0.00 0.00 41.25 38.77 2cpt s ASN 33 CO 0.00 -1.71 0.88 1.88 -1.51 0.00 0.00 177.10 176.64 2cpt h TYR 34 N 10.08 0.63 -0.66 2.20 -1.99 -1.88 -2.35 116.97 123.01 2cpt h TYR 34 Ca 0.14 -0.46 0.04 0.00 2.00 0.00 0.00 58.73 60.45 2cpt h TYR 34 Cb 1.01 -0.03 -0.05 0.00 2.00 0.00 0.00 36.73 39.67 2cpt h TYR 34 CO 1.26 1.40 0.40 1.05 -0.00 0.00 0.00 178.16 182.27 2cpt h GLU 35 N -0.24 0.75 -0.12 4.88 4.11 -1.91 0.32 114.58 122.36 2cpt h GLU 35 Ca -0.19 -0.05 -0.20 0.00 0.07 0.00 0.00 59.36 58.99 2cpt h GLU 35 Cb 1.78 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.86 2cpt h GLU 35 CO 0.17 0.50 -0.75 1.49 0.07 0.00 0.00 179.01 180.49 2cpt h GLU 36 N 0.77 0.60 -0.50 1.06 4.57 -1.97 -3.21 114.58 115.90 2cpt h GLU 36 Ca 0.28 -0.49 -0.11 0.00 -1.18 0.00 0.00 59.36 57.86 2cpt h GLU 36 Cb 0.07 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 2cpt h GLU 36 CO -0.13 1.11 -0.13 0.00 -1.18 0.00 0.00 179.01 178.69 2cpt h ALA 37 N 0.75 0.82 0.17 2.92 0.00 -0.93 -2.97 119.26 120.03 2cpt h ALA 37 Ca -0.04 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.53 2cpt h ALA 37 Cb 1.35 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2cpt h ALA 37 CO 0.14 0.66 -0.43 1.25 0.00 0.00 0.00 179.25 180.86 2cpt h LEU 38 N 0.84 -1.27 -0.26 0.00 5.85 -0.39 0.33 115.31 120.42 2cpt h LEU 38 Ca 0.13 0.13 0.06 0.00 0.84 0.00 0.00 57.88 59.05 2cpt h LEU 38 Cb 0.67 0.47 -0.07 0.00 0.37 0.00 0.00 40.66 42.10 2cpt h LEU 38 CO 0.05 -0.51 -0.18 1.56 -0.34 0.00 0.00 178.44 179.02 2cpt h GLN 39 N -0.70 -0.15 -0.52 1.25 1.08 -1.58 0.63 115.11 115.11 2cpt h GLN 39 Ca 0.01 0.01 0.11 0.00 -1.45 0.00 0.00 58.65 57.33 2cpt h GLN 39 Cb 0.71 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.14 2cpt h GLN 39 CO -0.22 -0.10 0.36 -0.07 -0.95 0.00 0.00 178.83 177.85 2cpt h LEU 40 N -0.16 0.18 -0.16 1.46 3.38 -1.30 0.27 115.31 118.97 2cpt h LEU 40 Ca 0.14 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 2cpt h LEU 40 Cb 0.38 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.10 2cpt h LEU 40 CO -0.36 0.11 -0.53 1.88 0.09 0.00 0.00 178.44 179.63 2cpt h TYR 41 N 0.20 0.84 -0.10 1.13 0.05 0.12 -2.52 116.97 116.69 2cpt h TYR 41 Ca 0.25 -0.34 -0.16 0.00 0.05 0.00 0.00 58.73 58.52 2cpt h TYR 41 Cb 0.70 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 2cpt h TYR 41 CO -0.00 1.13 -0.63 1.96 -1.05 0.00 0.00 178.16 179.57 2cpt h GLN 42 N 0.31 0.37 0.23 4.88 4.20 0.08 -3.27 115.11 121.90 2cpt h GLN 42 Ca -0.02 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 2cpt h GLN 42 Cb 1.15 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.97 2cpt h GLN 42 CO 0.11 0.88 -0.11 0.45 -0.67 0.00 0.00 178.83 179.49 2cpt h HIS 43 N 0.27 -0.28 -0.98 2.96 3.86 -0.54 -2.33 115.15 118.10 2cpt h HIS 43 Ca -0.01 -0.01 0.34 0.00 -1.16 0.00 0.00 60.37 59.53 2cpt h HIS 43 Cb 1.17 0.09 -0.17 0.00 1.06 0.00 0.00 27.41 29.56 2cpt h HIS 43 CO 0.03 -0.03 0.38 0.00 0.86 0.00 0.00 177.93 179.18 2cpt h ALA 44 N 0.21 1.76 0.05 2.45 0.00 -1.50 0.17 119.26 122.40 2cpt h ALA 44 Ca -0.03 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2cpt h ALA 44 Cb 0.38 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2cpt h ALA 44 CO 0.05 -0.72 -0.02 0.28 0.00 0.00 0.00 179.25 178.83 2cpt h VAL 45 N 0.09 1.28 -0.81 0.00 2.07 -1.60 -1.97 116.25 115.31 2cpt h VAL 45 Ca 0.73 -1.21 0.20 0.00 0.82 0.00 0.00 66.70 67.23 2cpt h VAL 45 Cb 1.74 2.07 -0.14 0.00 -1.52 0.00 0.00 31.29 33.44 2cpt h VAL 45 CO -0.76 0.30 0.10 1.56 0.02 0.00 0.00 177.57 178.79 2cpt h GLN 46 N -0.62 0.15 -0.28 1.57 1.08 -0.16 0.15 115.11 116.99 2cpt h GLN 46 Ca -0.01 -0.01 -0.15 0.00 -1.45 0.00 0.00 58.65 57.04 2cpt h GLN 46 Cb 0.54 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.94 2cpt h GLN 46 CO 0.01 0.10 -0.40 1.88 -0.95 0.00 0.00 178.83 179.47 2cpt h TYR 47 N 0.15 0.94 0.04 2.96 0.05 -1.28 -3.06 116.97 116.76 2cpt h TYR 47 Ca 0.47 -0.31 0.02 0.00 0.05 0.00 0.00 58.73 58.97 2cpt h TYR 47 Cb 0.89 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 38.41 2cpt h TYR 47 CO -0.36 1.09 -0.22 0.74 -1.05 0.00 0.00 178.16 178.37 2cpt h PHE 48 N 0.51 -0.58 0.04 4.88 0.04 -0.02 -2.83 116.94 118.99 2cpt h PHE 48 Ca 0.03 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.84 2cpt h PHE 48 Cb 0.99 0.25 -0.05 0.00 2.20 0.00 0.00 35.95 39.34 2cpt h PHE 48 CO 0.08 -0.31 -0.47 -0.07 -0.60 0.00 0.00 178.31 176.94 2cpt h LEU 49 N -0.37 -1.42 -1.00 1.54 3.38 -0.97 -1.02 115.31 115.45 2cpt h LEU 49 Ca 0.05 0.16 0.37 0.00 0.09 0.00 0.00 57.88 58.55 2cpt h LEU 49 Cb 0.43 0.54 -0.18 0.00 0.09 0.00 0.00 40.66 41.54 2cpt h LEU 49 CO -0.18 -0.50 0.36 -0.74 0.09 0.00 0.00 178.44 177.47 2cpt h HIS 50 N -0.65 0.52 0.66 1.13 2.76 -1.41 0.17 115.15 118.33 2cpt h HIS 50 Ca 0.03 0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.22 2cpt h HIS 50 Cb 0.70 -0.06 0.01 0.00 1.55 0.00 0.00 27.41 29.61 2cpt h HIS 50 CO -0.44 -0.47 -0.32 0.28 -1.30 0.00 0.00 177.93 175.68 2cpt h VAL 51 N 0.00 0.00 -0.88 5.26 2.07 -0.97 -2.50 116.25 119.23 2cpt h VAL 51 Ca 0.76 -0.24 0.26 0.00 0.82 0.00 0.00 66.70 68.30 2cpt h VAL 51 Cb 1.89 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 2cpt h VAL 51 CO -0.83 0.00 0.66 0.58 0.02 0.00 0.00 177.57 178.00 2cpt h VAL 52 N -1.13 0.51 0.00 2.57 2.07 -0.32 0.76 116.25 120.71 2cpt h VAL 52 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2cpt h VAL 52 Cb 0.68 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2cpt h VAL 52 CO 0.15 0.00 0.00 1.17 0.02 0.00 0.00 177.57 178.91 2cpt n LYS 53 N -4.18 0.00 -0.08 1.57 3.00 0.38 -3.79 118.16 115.07 2cpt n LYS 53 Ca 0.18 0.46 -0.08 0.00 -0.00 0.00 0.00 58.31 58.87 2cpt n LYS 53 Cb 0.97 -1.27 -0.03 0.00 0.00 0.00 0.00 35.03 34.70 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 -1.88 0.81 -0.71 5.64 4.02 -0.96 -4.35 117.16 119.73 2cpt n TYR 54 Ca 0.00 0.35 -0.06 0.00 -0.01 0.00 0.00 57.90 58.18 2cpt n TYR 54 Cb 0.00 -0.79 -0.08 0.00 -0.02 0.00 0.00 39.34 38.45 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 -4.56 1.42 -0.43 -0.72 -0.58 0.23 -4.92 120.64 111.08 2cpt n GLU 55 Ca -0.13 -0.46 -0.28 0.00 -0.42 0.00 0.00 57.16 55.88 2cpt n GLU 55 Cb 0.37 -1.48 0.24 0.00 -0.57 0.00 0.00 31.44 30.00 2cpt n GLU 55 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2cpt n ALA 56 N 2.00 -3.54 -3.46 0.62 0.00 0.67 -4.24 120.51 112.55 2cpt n ALA 56 Ca 0.20 -1.47 -0.08 0.00 0.00 0.00 0.00 53.44 52.09 2cpt n ALA 56 Cb 0.67 -1.52 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 2cpt n ALA 56 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2cpt s GLN 57 N -4.25 1.62 0.32 0.00 -0.21 -1.26 -4.93 119.66 110.94 2cpt s GLN 57 Ca 0.59 -1.10 -0.15 0.00 0.02 0.00 0.00 55.36 54.73 2cpt s GLN 57 Cb -0.14 0.53 -0.11 0.00 1.00 0.00 0.00 33.01 34.29 2cpt s GLN 57 CO 0.56 -0.70 0.01 0.41 -2.12 0.00 0.00 175.29 173.45 2cpt n GLY 58 N -0.41 -2.10 0.43 3.09 0.00 -1.26 -4.02 105.19 100.92 2cpt n GLY 58 Ca -0.04 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 2cpt n GLY 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2cpt h ASP 59 N 0.16 -2.02 -0.95 1.61 3.32 -2.00 0.45 116.42 116.98 2cpt h ASP 59 Ca -0.28 0.30 0.26 0.00 0.02 0.00 0.00 57.03 57.33 2cpt h ASP 59 Cb 1.05 0.88 -0.14 0.00 0.22 0.00 0.00 39.33 41.34 2cpt h ASP 59 CO 0.33 -0.29 0.45 0.50 -1.72 0.00 0.00 179.24 178.50 2cpt h LYS 60 N -0.14 0.35 -0.46 3.56 3.11 -2.01 0.27 116.57 121.25 2cpt h LYS 60 Ca 0.14 -0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.89 2cpt h LYS 60 Cb 0.48 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.62 2cpt h LYS 60 CO -0.82 0.23 0.03 0.00 -2.81 0.00 0.00 179.45 176.09 2cpt h ALA 61 N 1.78 0.61 -0.40 5.00 0.00 -0.45 -2.30 119.26 123.49 2cpt h ALA 61 Ca 0.63 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2cpt h ALA 61 Cb 1.31 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2cpt h ALA 61 CO -0.58 0.38 0.00 1.63 0.00 0.00 0.00 179.25 180.68 2cpt n LYS 62 N -4.41 0.00 -0.31 0.00 5.02 0.89 -1.88 118.16 117.46 2cpt n LYS 62 Ca 0.00 0.57 0.15 0.00 -2.02 0.00 0.00 58.31 57.01 2cpt n LYS 62 Cb 0.28 -1.43 0.33 0.00 -0.02 0.00 0.00 35.03 34.19 2cpt n LYS 62 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 2cpt h GLN 63 N 0.00 0.30 -0.61 1.97 3.07 -1.53 0.15 115.11 118.47 2cpt h GLN 63 Ca 0.00 -0.02 0.12 0.00 0.09 0.00 0.00 58.65 58.85 2cpt h GLN 63 Cb 0.00 -0.07 -0.10 0.00 0.08 0.00 0.00 27.48 27.39 2cpt h GLN 63 CO 0.00 0.20 0.05 0.77 0.09 0.00 0.00 178.83 179.94 2cpt h SER 64 N 0.31 -0.17 -0.15 0.06 0.02 -1.14 0.76 113.55 113.23 2cpt h SER 64 Ca 0.59 0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 61.63 2cpt h SER 64 Cb 1.20 0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.97 2cpt h SER 64 CO -0.59 -0.07 -0.11 0.40 -1.14 0.00 0.00 176.83 175.32 2cpt h ILE 65 N 0.16 1.33 0.15 3.27 2.04 -0.00 -3.27 117.51 121.18 2cpt h ILE 65 Ca 0.32 -1.21 0.02 0.00 1.00 0.00 0.00 64.86 64.99 2cpt h ILE 65 Cb 0.51 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 2cpt h ILE 65 CO -0.48 0.36 -0.45 0.03 0.00 0.00 0.00 178.15 177.60 2cpt h ARG 66 N -0.00 -0.67 -0.89 2.37 -0.00 -0.42 -2.05 114.38 112.72 2cpt h ARG 66 Ca 0.03 0.05 0.20 0.00 -0.50 0.00 0.00 59.98 59.75 2cpt h ARG 66 Cb 0.61 0.15 -0.17 0.00 0.00 0.00 0.00 29.97 30.57 2cpt h ARG 66 CO 0.03 -0.45 -0.15 0.00 0.00 0.00 0.00 179.97 179.40 2cpt n ALA 67 N -2.85 0.28 -0.21 0.04 0.00 0.18 0.14 120.51 118.09 2cpt n ALA 67 Ca -0.08 0.97 -0.07 0.00 0.00 0.00 0.00 53.44 54.26 2cpt n ALA 67 Cb 0.39 -0.62 0.03 0.00 0.00 0.00 0.00 19.45 19.26 2cpt n ALA 67 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2cpt h LYS 68 N 0.00 0.85 -0.55 0.00 6.56 -1.44 -1.93 116.57 120.06 2cpt h LYS 68 Ca 0.46 -0.12 0.09 0.00 -1.06 0.00 0.00 60.65 60.01 2cpt h LYS 68 Cb 0.78 -0.16 -0.07 0.00 -0.57 0.00 0.00 32.23 32.22 2cpt h LYS 68 CO -0.89 0.68 0.17 0.00 -2.06 0.00 0.00 179.45 177.35 2cpt h THR 70 N 0.34 1.25 0.82 0.00 2.02 -1.04 -0.85 112.91 115.45 2cpt h THR 70 Ca 0.27 -0.93 -0.04 0.00 0.77 0.00 0.00 66.41 66.49 2cpt h THR 70 Cb 0.34 0.97 0.01 0.00 -1.74 0.00 0.00 68.15 67.72 2cpt h THR 70 CO -0.30 0.32 -0.40 -0.08 0.37 0.00 0.00 175.52 175.44 2cpt h GLU 71 N 0.62 -1.06 -0.97 6.66 4.57 -0.59 -0.63 114.58 123.18 2cpt h GLU 71 Ca 0.14 0.07 0.13 0.00 -1.18 0.00 0.00 59.36 58.52 2cpt h GLU 71 Cb 0.40 0.24 -0.08 0.00 -0.16 0.00 0.00 28.75 29.15 2cpt h GLU 71 CO 0.01 -0.71 0.61 1.88 -1.18 0.00 0.00 179.01 179.62 2cpt h TYR 72 N -1.16 1.04 0.39 0.92 0.05 -0.87 -1.50 116.97 115.85 2cpt h TYR 72 Ca -0.11 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.68 2cpt h TYR 72 Cb 0.85 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 38.26 2cpt h TYR 72 CO 0.03 0.39 -0.19 -0.07 -1.05 0.00 0.00 178.16 177.27 2cpt h LEU 73 N 0.88 -0.44 0.40 3.88 3.38 -1.01 -2.42 115.31 119.97 2cpt h LEU 73 Ca 0.49 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.44 2cpt h LEU 73 Cb 0.60 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2cpt h LEU 73 CO -0.26 -0.28 -0.48 -0.78 0.09 0.00 0.00 178.44 176.74 2cpt h ASP 74 N -0.58 -1.34 -0.92 -0.43 1.82 -0.49 -1.12 116.42 113.36 2cpt h ASP 74 Ca -0.05 0.12 0.26 0.00 -0.39 0.00 0.00 57.03 56.97 2cpt h ASP 74 Cb 0.43 0.46 -0.16 0.00 0.68 0.00 0.00 39.33 40.74 2cpt h ASP 74 CO 0.09 -0.61 0.19 -0.09 -1.61 0.00 0.00 179.24 177.20 2cpt h ARG 75 N -0.90 0.11 -0.18 0.28 9.65 -1.30 0.27 114.38 122.30 2cpt h ARG 75 Ca -0.04 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 2cpt h ARG 75 Cb 0.81 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.36 2cpt h ARG 75 CO -0.11 0.07 0.06 0.00 2.80 0.00 0.00 179.97 182.79 2cpt h ALA 76 N 1.87 0.23 -1.16 2.80 0.00 -0.88 -2.80 119.26 119.32 2cpt h ALA 76 Ca 0.59 -0.12 0.43 0.00 0.00 0.00 0.00 54.91 55.81 2cpt h ALA 76 Cb 1.26 -0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.82 2cpt h ALA 76 CO -0.76 -0.16 0.69 0.93 0.00 0.00 0.00 179.25 179.95 2cpt h GLU 77 N 0.12 0.04 -0.02 0.00 5.08 0.78 0.50 114.58 121.09 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 0.21 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2cpt h GLU 77 CO -0.00 0.03 -0.15 0.87 -1.00 0.00 0.00 179.01 178.75 2cpt h LYS 78 N 0.04 0.13 -0.24 2.33 1.79 -1.34 -3.12 116.57 116.16 2cpt h LYS 78 Ca 0.85 -0.12 0.07 0.00 -2.18 0.00 0.00 60.65 59.27 2cpt h LYS 78 Cb 2.42 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 33.09 2cpt h LYS 78 CO -0.62 0.82 0.53 -0.07 -1.08 0.00 0.00 179.45 179.03 2cpt h LEU 79 N -0.51 0.00 0.17 2.94 3.38 0.14 0.47 115.31 121.90 2cpt h LEU 79 Ca -0.01 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.63 2cpt h LEU 79 Cb 0.86 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.62 2cpt h LEU 79 CO 0.03 0.00 -1.54 0.11 0.09 0.00 0.00 178.44 177.13 2cpt h LYS 80 N 0.00 0.36 0.00 1.13 1.57 -1.30 -2.31 116.57 116.02 2cpt h LYS 80 Ca 0.11 -0.62 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2cpt h LYS 80 Cb 1.18 0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.72 2cpt h LYS 80 CO -0.00 1.27 0.00 -0.85 -0.57 0.00 0.00 179.45 179.29 2cpt n GLU 81 N -3.56 0.11 -0.09 3.15 0.28 0.14 -2.34 120.64 118.34 2cpt n GLU 81 Ca -0.18 0.12 -0.21 0.00 -0.16 0.00 0.00 57.16 56.73 2cpt n GLU 81 Cb 1.07 -1.64 -0.12 0.00 1.43 0.00 0.00 31.44 32.17 2cpt n GLU 81 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 2cpt n TYR 82 N -1.84 0.49 -0.02 -1.84 4.19 -0.07 -3.99 117.16 114.08 2cpt n TYR 82 Ca 0.06 0.12 -0.13 0.00 3.31 0.00 0.00 57.90 61.27 2cpt n TYR 82 Cb 0.36 -1.06 -0.09 0.00 0.49 0.00 0.00 39.34 39.04 2cpt n TYR 82 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 2cpt h LEU 83 N -0.23 0.10 -1.72 2.98 3.38 -1.48 -2.05 115.31 116.30 2cpt h LEU 83 Ca -0.53 -0.43 0.14 0.00 0.09 0.00 0.00 57.88 57.15 2cpt h LEU 83 Cb 1.84 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.52 2cpt h LEU 83 CO -0.10 0.51 0.45 0.07 0.09 0.00 0.00 178.44 179.46 2cpt h LYS 84 N -0.30 0.28 0.00 1.13 2.10 -1.70 0.26 116.57 118.34 2cpt h LYS 84 Ca 0.01 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 2cpt h LYS 84 Cb 0.47 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.74 2cpt h LYS 84 CO 0.01 0.19 -0.22 -0.97 -2.00 0.00 0.00 179.45 176.45 2cpt h ASN 85 N 0.29 0.00 0.74 7.07 -0.73 -1.66 -3.34 115.58 117.95 2cpt h ASN 85 Ca 0.32 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.45 2cpt h ASN 85 Cb 0.85 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.44 2cpt h ASN 85 CO -0.08 0.13 -0.35 0.50 -0.37 0.00 0.00 177.43 177.26 2cpt h LYS 86 N 0.00 -0.95 -6.63 6.67 1.63 0.26 -3.44 116.57 114.11 2cpt h LYS 86 Ca -0.00 0.06 -0.56 0.00 -0.85 0.00 0.00 60.65 59.30 2cpt h LYS 86 Cb 1.10 0.22 0.19 0.00 -0.60 0.00 0.00 32.23 33.14 2cpt h LYS 86 CO 0.02 -0.63 -0.53 0.39 -3.45 0.00 0.00 179.45 175.24 2cpt n GLU 87 N -5.51 0.16 -4.80 1.90 4.71 -1.18 -4.52 120.64 111.40 2cpt n GLU 87 Ca -0.14 0.09 -0.25 0.00 -0.01 0.00 0.00 57.16 56.85 2cpt n GLU 87 Cb 0.40 -1.77 -0.16 0.00 -1.01 0.00 0.00 31.44 28.91 2cpt n GLU 87 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2cpt s LYS 88 N -2.84 1.56 0.11 3.49 1.02 -1.26 -5.04 119.74 116.78 2cpt s LYS 88 Ca 0.62 -0.59 0.09 0.00 0.02 0.00 0.00 55.97 56.11 2cpt s LYS 88 Cb -0.32 -1.42 -0.04 0.00 -0.52 0.00 0.00 37.83 35.53 2cpt s LYS 88 CO 0.61 0.29 -0.23 0.21 -0.92 0.00 0.00 175.35 175.32 2cpt s LYS 89 N -0.16 1.22 0.42 1.68 2.36 -1.26 -5.00 119.74 119.00 2cpt s LYS 89 Ca 0.01 -1.22 0.34 0.00 -2.55 0.00 0.00 55.97 52.56 2cpt s LYS 89 Cb -0.09 -1.56 1.36 0.00 -1.05 0.00 0.00 37.83 36.49 2cpt s LYS 89 CO 0.01 0.37 1.33 0.00 1.55 0.00 0.00 175.35 178.61 2cpt n ALA 90 N 1.05 1.36 -0.70 3.13 0.00 -1.26 -4.41 120.51 119.68 2cpt n ALA 90 Ca -0.19 0.67 -0.06 0.00 0.00 0.00 0.00 53.44 53.86 2cpt n ALA 90 Cb 0.53 -0.94 0.10 0.00 0.00 0.00 0.00 19.45 19.14 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 -4.09 -1.45 -0.98 0.00 6.02 -1.26 -4.76 117.38 110.86 2cpt n GLN 91 Ca 0.36 -0.47 -0.33 0.00 -0.01 0.00 0.00 57.00 56.55 2cpt n GLN 91 Cb 1.50 -0.81 -0.01 0.00 1.02 0.00 0.00 30.24 31.94 2cpt n GLN 91 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2cpt n LYS 92 N -1.91 0.00 -1.22 -1.09 4.81 -1.26 -4.89 118.16 112.60 2cpt n LYS 92 Ca 0.04 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.18 2cpt n LYS 92 Cb 0.19 -0.72 0.13 0.00 0.02 0.00 0.00 35.03 34.65 2cpt n LYS 92 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2cpt s PRO 93 N -0.72 1.48 0.09 1.64 0.04 -1.26 -4.75 135.00 131.52 2cpt s PRO 93 Ca 0.45 0.89 -0.19 0.00 0.04 0.00 0.00 61.00 62.19 2cpt s PRO 93 Cb -0.58 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.18 2cpt s PRO 93 CO 0.43 -2.10 0.46 0.54 0.04 0.00 0.00 177.00 176.36 2cpt s VAL 94 N -2.93 0.05 -0.10 -0.36 0.11 -1.26 -5.11 120.40 110.79 2cpt s VAL 94 Ca 0.63 -0.38 -0.41 0.00 -2.93 0.00 0.00 61.98 58.89 2cpt s VAL 94 Cb -0.18 -1.05 -0.20 0.00 -1.53 0.00 0.00 36.38 33.42 2cpt s VAL 94 CO 0.57 -0.21 1.17 1.17 -3.33 0.00 0.00 175.10 174.46 2cpt n LYS 95 N 0.05 0.00 -0.83 1.54 0.00 -1.26 -4.83 118.16 112.83 2cpt n LYS 95 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 58.31 57.80 2cpt n LYS 95 Cb 0.62 -1.48 0.11 0.00 0.00 0.00 0.00 35.03 34.27 2cpt n LYS 95 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2cpt n GLU 96 N 1.99 -0.33 0.00 1.64 1.02 -1.26 -4.96 120.64 118.73 2cpt n GLU 96 Ca 0.22 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 2cpt n GLU 96 Cb 0.05 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 2cpt n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cpt n GLY 97 N 1.99 1.79 3.03 0.62 0.00 -1.26 -5.08 105.19 106.28 2cpt n GLY 97 Ca 0.04 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 2cpt n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cpt s GLN 98 N 4.72 0.27 0.52 1.61 -0.21 -1.26 -5.11 119.66 120.19 2cpt s GLN 98 Ca 0.00 -0.11 -0.20 0.00 0.02 0.00 0.00 55.36 55.07 2cpt s GLN 98 Cb 0.00 0.11 -0.06 0.00 1.00 0.00 0.00 33.01 34.06 2cpt s GLN 98 CO 0.00 -0.05 1.14 -1.25 -2.12 0.00 0.00 175.29 173.01 2cpt s PRO 99 N -0.58 3.46 -0.18 2.91 0.04 -1.26 -4.35 135.00 135.05 2cpt s PRO 99 Ca -0.07 1.65 -0.33 0.00 0.04 0.00 0.00 61.00 62.30 2cpt s PRO 99 Cb -0.04 -2.11 0.14 0.00 0.04 0.00 0.00 34.50 32.53 2cpt s PRO 99 CO 0.00 -0.77 1.16 -1.12 0.04 0.00 0.00 177.00 176.32 2cpt s SER 100 N -1.67 -0.18 0.24 6.66 0.01 -1.26 -5.05 113.70 112.45 2cpt s SER 100 Ca 0.70 0.06 -0.30 0.00 1.31 0.00 0.00 55.95 57.73 2cpt s SER 100 Cb -0.25 0.18 -0.09 0.00 0.21 0.00 0.00 66.02 66.07 2cpt s SER 100 CO 0.29 -0.27 1.28 -2.16 0.41 0.00 0.00 173.24 172.79 2cpt s PRO 101 N -2.14 4.42 0.34 12.44 0.04 -1.26 -4.90 135.00 143.94 2cpt s PRO 101 Ca 0.07 2.05 0.09 0.00 0.04 0.00 0.00 61.00 63.26 2cpt s PRO 101 Cb -0.01 -3.17 -0.06 0.00 0.04 0.00 0.00 34.50 31.30 2cpt s PRO 101 CO -0.05 -0.17 -0.06 0.00 0.04 0.00 0.00 177.00 176.76 2cpt s ALA 102 N -0.34 3.05 -0.07 8.56 0.00 -1.26 -5.04 121.76 126.66 2cpt s ALA 102 Ca 0.53 -2.04 -0.03 0.00 0.00 0.00 0.00 51.96 50.42 2cpt s ALA 102 Cb -0.36 -0.17 0.04 0.00 0.00 0.00 0.00 23.12 22.62 2cpt s ALA 102 CO 0.42 0.08 0.15 0.34 0.00 0.00 0.00 175.76 176.75 2cpt s ASP 103 N -3.65 -0.13 -0.31 0.00 -1.08 -1.26 -5.13 116.67 105.12 2cpt s ASP 103 Ca 0.33 0.32 -0.02 0.00 -0.52 0.00 0.00 52.55 52.66 2cpt s ASP 103 Cb 0.01 0.22 0.05 0.00 -1.46 0.00 0.00 42.92 41.74 2cpt s ASP 103 CO 0.18 -0.14 0.03 -1.83 0.52 0.00 0.00 175.17 173.92 2cpt s GLU 104 N 1.07 2.41 -0.23 4.34 -1.05 -1.26 -5.05 118.70 118.92 2cpt s GLU 104 Ca -0.08 -1.31 -0.03 0.00 -0.15 0.00 0.00 54.97 53.40 2cpt s GLU 104 Cb -0.10 -3.24 0.12 0.00 -0.44 0.00 0.00 34.13 30.47 2cpt s GLU 104 CO -0.06 -0.66 0.33 0.21 0.95 0.00 0.00 175.26 176.03 2cpt s LYS 105 N 1.26 0.30 0.12 -4.83 2.47 -1.26 -5.15 119.74 112.65 2cpt s LYS 105 Ca -0.04 0.42 -0.02 0.00 -1.56 0.00 0.00 55.97 54.77 2cpt s LYS 105 Cb -0.20 -0.70 -0.05 0.00 -1.46 0.00 0.00 37.83 35.43 2cpt s LYS 105 CO -0.01 -0.66 0.32 0.20 0.16 0.00 0.00 175.35 175.36 2cpt s GLY 106 N 2.48 2.14 -0.30 5.54 0.00 -1.26 -5.09 107.32 110.83 2cpt s GLY 106 Ca 0.11 -0.71 -0.17 0.00 0.00 0.00 0.00 44.72 43.96 2cpt s GLY 106 CO -0.15 -0.66 1.13 0.54 0.00 0.00 0.00 173.10 173.96 2cpt s ASN 107 N -2.60 -0.30 -0.04 1.64 2.20 -1.26 -5.18 114.94 109.40 2cpt s ASN 107 Ca 0.38 0.45 -0.30 0.00 -0.94 0.00 0.00 52.86 52.45 2cpt s ASN 107 Cb -0.12 1.24 0.11 0.00 -2.00 0.00 0.00 41.25 40.48 2cpt s ASN 107 CO 0.27 -0.07 0.96 1.51 -2.94 0.00 0.00 177.10 176.83 2cpt s ASP 108 N 1.69 -0.31 -0.21 3.54 1.47 -1.26 -5.19 116.67 116.41 2cpt s ASP 108 Ca -0.05 -0.01 -0.29 0.00 1.18 0.00 0.00 52.55 53.38 2cpt s ASP 108 Cb -0.03 0.33 0.14 0.00 -0.34 0.00 0.00 42.92 43.02 2cpt s ASP 108 CO -0.14 -0.54 1.09 -0.94 0.68 0.00 0.00 175.17 175.32 2cpt s SER 109 N -2.43 -0.31 -0.15 2.11 1.04 -1.26 -5.18 113.70 107.52 2cpt s SER 109 Ca 0.06 0.42 -0.30 0.00 0.48 0.00 0.00 55.95 56.61 2cpt s SER 109 Cb -0.01 0.36 0.13 0.00 0.10 0.00 0.00 66.02 66.60 2cpt s SER 109 CO -0.08 -0.24 1.01 -0.62 0.98 0.00 0.00 173.24 174.30 2cpt s ASP 110 N -0.76 -0.34 0.16 7.02 2.15 -1.26 -5.19 116.67 118.45 2cpt s ASP 110 Ca 0.01 0.32 -0.24 0.00 0.43 0.00 0.00 52.55 53.07 2cpt s ASP 110 Cb -0.02 0.29 0.07 0.00 -0.30 0.00 0.00 42.92 42.96 2cpt s ASP 110 CO -0.02 -0.35 0.98 -0.83 -0.17 0.00 0.00 175.17 174.78 2cpt s GLY 111 N -1.30 -0.16 0.14 2.66 0.00 -1.26 -5.19 107.32 102.22 2cpt s GLY 111 Ca 0.00 0.03 -0.25 0.00 0.00 0.00 0.00 44.72 44.51 2cpt s GLY 111 CO -0.00 0.44 1.04 -0.45 0.00 0.00 0.00 173.10 174.13 2cpt s SER 112 N -3.04 -0.09 0.00 1.64 0.15 -1.26 -5.19 113.70 105.92 2cpt s SER 112 Ca 0.14 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.32 2cpt s SER 112 Cb -0.01 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 2cpt s SER 112 CO 0.03 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.23 2cpt n GLY 113 N -0.57 5.82 3.56 9.45 0.00 -1.26 -5.08 105.19 117.11 2cpt n GLY 113 Ca -0.05 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 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 1.14 2.80 0.13 1.61 0.04 -1.26 -4.87 135.00 134.58 2cpt s PRO 114 Ca 0.00 0.77 -0.20 0.00 0.04 0.00 0.00 61.00 61.61 2cpt s PRO 114 Cb 0.00 -4.33 -0.03 0.00 0.04 0.00 0.00 34.50 30.17 2cpt s PRO 114 CO 0.00 -2.51 1.72 0.66 0.04 0.00 0.00 177.00 176.91 2cpt h SER 115 N 14.35 -0.09 0.82 6.66 4.64 -2.06 -3.13 113.55 134.73 2cpt h SER 115 Ca -0.27 0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.05 2cpt h SER 115 Cb 1.16 0.08 0.01 0.00 -0.31 0.00 0.00 62.40 63.34 2cpt h SER 115 CO 1.18 -0.02 -0.39 0.28 -0.87 0.00 0.00 176.83 177.00 2cpt h SER 116 N 0.05 -0.93 0.00 4.97 0.02 -2.08 -3.57 113.55 112.01 2cpt h SER 116 Ca 0.09 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2cpt h SER 116 Cb 0.12 0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.90 2cpt h SER 116 CO -0.16 -0.62 0.00 0.61 -1.14 0.00 0.00 176.83 175.51