#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ica h ALA 0 N 0.00 1.50 -0.44 5.41 0.00 -2.04 0.85 119.26 124.55 3ica h ALA 0 Ca 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3ica h ALA 0 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3ica h ALA 0 CO 0.00 -0.13 -0.08 0.22 0.00 0.00 0.00 179.25 179.26 3ica h ASP 1 N 0.64 0.75 0.72 0.00 3.58 -2.05 0.16 116.42 120.22 3ica h ASP 1 Ca 0.54 -0.21 -0.26 0.00 0.42 0.00 0.00 57.03 57.52 3ica h ASP 1 Cb 0.87 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.71 3ica h ASP 1 CO -0.41 0.87 -1.19 -0.09 -2.88 0.00 0.00 179.24 175.54 3ica h ARG 2 N 0.70 0.21 -0.46 0.28 2.43 -1.15 -0.87 114.38 115.52 3ica h ARG 2 Ca 0.12 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 3ica h ARG 2 Cb 0.55 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 3ica h ARG 2 CO 0.03 1.17 0.24 -0.09 -1.51 0.00 0.00 179.97 179.81 3ica h ARG 3 N 0.06 0.65 -0.81 0.20 2.43 0.59 -2.97 114.38 114.53 3ica h ARG 3 Ca -0.11 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3ica h ARG 3 Cb 1.93 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 31.31 3ica h ARG 3 CO 0.19 0.53 0.54 -0.92 -1.51 0.00 0.00 179.97 178.80 3ica h TYR 4 N 0.61 1.00 -0.61 2.20 3.20 -0.58 -0.87 116.97 121.91 3ica h TYR 4 Ca 0.16 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.96 3ica h TYR 4 Cb 0.08 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 3ica h TYR 4 CO -0.02 0.60 -0.01 0.87 -1.64 0.00 0.00 178.16 177.97 3ica h LYS 5 N 1.05 1.08 -0.32 1.82 1.57 -1.03 -2.06 116.57 118.68 3ica h LYS 5 Ca 0.31 -0.35 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 3ica h LYS 5 Cb -0.04 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 3ica h LYS 5 CO -0.08 1.05 -0.37 -1.49 -0.57 0.00 0.00 179.45 177.99 3ica h TRP 6 N 0.98 0.98 -0.65 -1.35 4.06 -1.35 -2.91 115.95 115.71 3ica h TRP 6 Ca 0.17 -0.31 0.11 0.00 2.06 0.00 0.00 58.89 60.92 3ica h TRP 6 Cb 0.57 -0.20 -0.08 0.00 -1.00 0.00 0.00 29.16 28.45 3ica h TRP 6 CO 0.04 1.10 0.24 1.96 -3.56 0.00 0.00 178.44 178.21 3ica h GLN 7 N 0.58 0.39 -0.48 0.49 4.20 -1.03 -1.95 115.11 117.30 3ica h GLN 7 Ca 0.04 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.61 3ica h GLN 7 Cb 0.96 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 3ica h GLN 7 CO 0.09 0.26 -0.17 1.79 -0.67 0.00 0.00 178.83 180.13 3ica h THR 8 N 0.41 1.27 -0.51 -0.54 1.35 -1.36 0.61 112.91 114.14 3ica h THR 8 Ca 0.33 -1.33 0.10 0.00 -0.55 0.00 0.00 66.41 64.97 3ica h THR 8 Cb 0.45 1.11 -0.10 0.00 -1.73 0.00 0.00 68.15 67.87 3ica h THR 8 CO -0.34 0.46 -0.26 0.58 -0.25 0.00 0.00 175.52 175.71 3ica h VAL 9 N 0.82 0.28 -0.60 6.82 2.07 -1.21 0.45 116.25 124.87 3ica h VAL 9 Ca 0.12 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.54 3ica h VAL 9 Cb 0.74 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3ica h VAL 9 CO 0.06 0.00 -0.00 0.58 0.02 0.00 0.00 177.57 178.23 3ica h VAL 10 N -0.14 1.27 -0.36 2.57 2.07 -0.87 -2.44 116.25 118.34 3ica h VAL 10 Ca 0.23 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 3ica h VAL 10 Cb 0.51 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3ica h VAL 10 CO -0.59 0.42 0.13 0.28 0.02 0.00 0.00 177.57 177.83 3ica h SER 11 N 0.97 0.46 -0.32 0.57 0.02 -0.22 -0.57 113.55 114.46 3ica h SER 11 Ca 0.17 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 3ica h SER 11 Cb 0.56 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 3ica h SER 11 CO 0.03 0.43 -0.04 -0.33 -1.14 0.00 0.00 176.83 175.78 3ica h GLU 12 N 0.51 0.58 -0.45 3.45 5.08 0.34 0.53 114.58 124.62 3ica h GLU 12 Ca 0.12 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3ica h GLU 12 Cb 0.12 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3ica h GLU 12 CO -0.01 0.74 0.30 0.37 -1.00 0.00 0.00 179.01 179.41 3ica h GLN 13 N 0.37 0.60 -0.22 2.33 4.15 -1.17 0.51 115.11 121.68 3ica h GLN 13 Ca 0.09 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.47 3ica h GLN 13 Cb 0.51 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 3ica h GLN 13 CO 0.02 0.40 0.13 -0.07 -1.93 0.00 0.00 178.83 177.38 3ica h LEU 14 N 0.62 0.28 -1.13 -2.39 3.38 -0.95 -1.13 115.31 113.98 3ica h LEU 14 Ca 0.17 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3ica h LEU 14 Cb -0.07 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3ica h LEU 14 CO -0.04 0.26 0.22 0.58 0.09 0.00 0.00 178.44 179.56 3ica h VAL 15 N 0.26 1.21 0.00 1.22 2.07 -0.64 -0.14 116.25 120.23 3ica h VAL 15 Ca 0.08 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 3ica h VAL 15 Cb 0.05 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3ica h VAL 15 CO -0.01 0.26 -0.09 1.23 0.02 0.00 0.00 177.57 178.98 3ica h GLY 16 N 0.95 0.00 -3.60 2.17 0.00 0.61 -1.13 103.07 102.07 3ica h GLY 16 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.28 3ica h GLY 16 CO -0.02 0.00 0.31 0.00 0.00 0.00 0.00 176.54 176.83 3ica n ALA 17 N -2.47 4.58 -0.63 3.60 0.00 -0.48 -4.92 120.51 120.20 3ica n ALA 17 Ca -0.03 -2.22 0.00 0.00 0.00 0.00 0.00 53.44 51.19 3ica n ALA 17 Cb 0.17 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3ica n ALA 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ica n GLY 18 N -0.23 0.73 3.79 0.00 0.00 -0.43 -5.04 105.19 104.02 3ica n GLY 18 Ca 0.41 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.06 3ica n GLY 18 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ica s PHE 19 N -2.46 3.71 -0.01 1.61 0.40 -0.17 -4.74 117.98 116.33 3ica s PHE 19 Ca 0.00 1.59 -0.16 0.00 -0.60 0.00 0.00 56.93 57.76 3ica s PHE 19 Cb 0.00 -2.77 -0.06 0.00 0.51 0.00 0.00 43.02 40.71 3ica s PHE 19 CO 0.00 0.32 0.45 -0.80 0.70 0.00 0.00 175.22 175.89 3ica s ASN 20 N -1.55 6.83 0.09 1.36 -0.87 -0.26 -4.13 114.94 116.41 3ica s ASN 20 Ca 0.45 0.99 -0.26 0.00 -1.57 0.00 0.00 52.86 52.46 3ica s ASN 20 Cb -0.19 -2.28 -0.06 0.00 -0.02 0.00 0.00 41.25 38.71 3ica s ASN 20 CO 0.23 0.26 0.82 -0.70 -2.57 0.00 0.00 177.10 175.14 3ica s GLU 21 N -0.77 4.57 0.37 -0.60 2.12 -1.26 -1.92 118.70 121.21 3ica s GLU 21 Ca 0.25 1.19 0.07 0.00 0.36 0.00 0.00 54.97 56.84 3ica s GLU 21 Cb -0.17 -3.35 -0.07 0.00 0.26 0.00 0.00 34.13 30.80 3ica s GLU 21 CO 0.14 0.33 -0.02 0.96 -0.54 0.00 0.00 175.26 176.12 3ica s ILE 22 N -0.28 1.93 -0.21 -3.70 -4.36 0.35 -4.93 121.20 110.00 3ica s ILE 22 Ca 0.40 -2.08 -0.06 0.00 -0.26 0.00 0.00 60.65 58.65 3ica s ILE 22 Cb -0.22 -2.81 0.10 0.00 1.25 0.00 0.00 42.46 40.78 3ica s ILE 22 CO 0.26 -0.09 0.43 -0.22 0.24 0.00 0.00 174.94 175.55 3ica s LEU 23 N -3.62 -0.69 0.19 0.37 2.96 -1.26 -4.40 118.68 112.23 3ica s LEU 23 Ca 0.34 0.92 0.09 0.00 -0.22 0.00 0.00 54.13 55.26 3ica s LEU 23 Cb 0.07 1.39 -0.04 0.00 0.50 0.00 0.00 46.19 48.10 3ica s LEU 23 CO 0.17 -0.24 -0.12 0.20 -1.32 0.00 0.00 176.35 175.04 3ica s ASN 24 N 2.63 4.11 0.36 3.68 -0.87 -1.26 -5.11 114.94 118.48 3ica s ASN 24 Ca 0.00 -0.64 -0.27 0.00 -1.57 0.00 0.00 52.86 50.39 3ica s ASN 24 Cb -0.13 -0.64 -0.12 0.00 -0.02 0.00 0.00 41.25 40.35 3ica s ASN 24 CO -0.14 0.10 1.20 -3.20 -2.57 0.00 0.00 177.10 172.50 3ica n ASN 25 N 0.03 2.28 0.00 -1.22 2.85 -1.26 -4.88 115.26 113.05 3ica n ASN 25 Ca -0.11 1.16 0.14 0.00 -0.11 0.00 0.00 54.58 55.67 3ica n ASN 25 Cb 0.56 -1.44 0.74 0.00 1.24 0.00 0.00 39.78 40.88 3ica n ASN 25 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3ica n SER 26 N 0.71 0.00 -4.74 1.20 3.41 -1.26 -4.73 113.62 108.20 3ica n SER 26 Ca 0.06 -0.23 -0.40 0.00 -0.26 0.00 0.00 58.87 58.04 3ica n SER 26 Cb 0.36 -0.25 -0.05 0.00 -0.26 0.00 0.00 64.21 64.02 3ica n SER 26 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3ica s LEU 27 N -2.49 4.45 0.29 1.04 2.96 -1.26 -1.14 118.68 122.52 3ica s LEU 27 Ca 0.30 1.49 -0.03 0.00 -0.22 0.00 0.00 54.13 55.66 3ica s LEU 27 Cb 0.19 -3.27 -0.01 0.00 0.50 0.00 0.00 46.19 43.60 3ica s LEU 27 CO 0.42 0.00 0.38 0.28 -1.32 0.00 0.00 176.35 176.11 3ica s THR 28 N -0.04 0.00 -0.13 3.68 -1.32 0.81 -4.90 115.64 113.75 3ica s THR 28 Ca 0.39 -1.70 -0.15 0.00 -1.21 0.00 0.00 61.69 59.03 3ica s THR 28 Cb -0.21 -2.50 -0.05 0.00 -1.51 0.00 0.00 72.50 68.24 3ica s THR 28 CO 0.24 0.00 0.36 0.00 -2.21 0.00 0.00 174.62 173.01 3ica s ALA 29 N -3.55 3.57 0.26 11.08 0.00 -1.26 -2.45 121.76 129.40 3ica s ALA 29 Ca 0.32 -0.35 -0.05 0.00 0.00 0.00 0.00 51.96 51.88 3ica s ALA 29 Cb 0.02 -2.46 0.31 0.00 0.00 0.00 0.00 23.12 20.98 3ica s ALA 29 CO 0.17 0.11 1.89 0.78 0.00 0.00 0.00 175.76 178.71 3ica h GLY 30 N 6.48 1.25 0.58 0.00 0.00 -1.90 -2.84 103.07 106.64 3ica h GLY 30 Ca -0.42 -0.54 0.20 0.00 0.00 0.00 0.00 47.33 46.57 3ica h GLY 30 CO 0.74 0.52 0.51 1.48 0.00 0.00 0.00 176.54 179.79 3ica h SER 31 N 1.18 0.03 -0.52 0.19 4.64 -1.94 0.36 113.55 117.50 3ica h SER 31 Ca 0.30 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.76 3ica h SER 31 Cb -0.01 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 3ica h SER 31 CO -0.05 0.02 0.36 1.88 -0.87 0.00 0.00 176.83 178.17 3ica h TYR 32 N 0.04 0.09 -0.01 4.77 0.99 -1.91 -2.75 116.97 118.19 3ica h TYR 32 Ca 0.34 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.08 3ica h TYR 32 Cb 1.32 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 39.02 3ica h TYR 32 CO -0.00 0.04 -0.63 0.66 -0.00 0.00 0.00 178.16 178.23 3ica n TYR 33 N -4.41 0.00 -1.85 4.88 4.02 0.13 -4.91 117.16 115.02 3ica n TYR 33 Ca 0.09 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.56 3ica n TYR 33 Cb 0.53 -0.06 -0.03 0.00 -0.02 0.00 0.00 39.34 39.76 3ica n TYR 33 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3ica s GLU 34 N -2.76 4.17 0.00 -0.72 0.41 -1.04 -2.19 118.70 116.57 3ica s GLU 34 Ca 0.14 2.48 0.00 0.00 -0.41 0.00 0.00 54.97 57.18 3ica s GLU 34 Cb 0.17 -3.09 0.00 0.00 -1.78 0.00 0.00 34.13 29.43 3ica s GLU 34 CO 0.69 -0.62 0.00 0.41 -0.49 0.00 0.00 175.26 175.25 3ica n GLY 35 N 3.15 3.21 3.76 -1.39 0.00 -1.26 -5.02 105.19 107.64 3ica n GLY 35 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3ica n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ica s LEU 36 N 0.00 4.52 -0.08 0.99 1.43 -0.93 -4.93 118.68 119.68 3ica s LEU 36 Ca 0.00 2.36 -0.10 0.00 -1.03 0.00 0.00 54.13 55.35 3ica s LEU 36 Cb 0.00 -3.63 -0.29 0.00 0.03 0.00 0.00 46.19 42.30 3ica s LEU 36 CO 0.00 -0.23 0.54 0.11 0.23 0.00 0.00 176.35 177.01 3ica h LYS 37 N 3.77 0.33 -0.90 1.70 1.79 -1.96 -3.28 116.57 118.03 3ica h LYS 37 Ca -0.47 -0.57 0.01 0.00 -2.18 0.00 0.00 60.65 57.44 3ica h LYS 37 Cb 1.21 0.21 -0.04 0.00 -1.58 0.00 0.00 32.23 32.03 3ica h LYS 37 CO 0.67 1.27 0.59 0.66 -1.08 0.00 0.00 179.45 181.56 3ica h SER 38 N 0.04 1.04 -2.54 0.86 4.64 -1.92 -3.31 113.55 112.36 3ica h SER 38 Ca -0.37 -0.03 -0.59 0.00 -0.47 0.00 0.00 61.79 60.33 3ica h SER 38 Cb 2.04 -0.26 -0.39 0.00 -0.31 0.00 0.00 62.40 63.48 3ica h SER 38 CO 0.13 0.76 -0.90 -1.00 -0.87 0.00 0.00 176.83 174.95 3ica s HIS 39 N -6.11 1.20 0.38 4.77 3.76 -1.26 -5.06 115.29 112.97 3ica s HIS 39 Ca -0.13 -2.21 -0.27 0.00 -0.15 0.00 0.00 55.06 52.30 3ica s HIS 39 Cb 0.17 -1.09 -0.09 0.00 1.11 0.00 0.00 32.58 32.68 3ica s HIS 39 CO 0.80 -0.81 1.34 -2.14 -0.85 0.00 0.00 174.74 173.09 3ica s PRO 40 N 0.25 4.07 0.37 8.40 0.02 -1.24 -4.66 135.00 142.21 3ica s PRO 40 Ca 0.27 2.26 0.16 0.00 0.02 0.00 0.00 61.00 63.72 3ica s PRO 40 Cb -0.06 -2.87 1.06 0.00 0.02 0.00 0.00 34.50 32.66 3ica s PRO 40 CO -0.13 -0.44 1.73 -0.09 -0.33 0.00 0.00 177.00 177.73 3ica h ARG 41 N 2.89 0.41 -2.57 5.54 9.65 -1.78 -3.30 114.38 125.22 3ica h ARG 41 Ca -0.50 -0.02 -0.62 0.00 -1.10 0.00 0.00 59.98 57.74 3ica h ARG 41 Cb 1.24 -0.09 -0.08 0.00 -1.39 0.00 0.00 29.97 29.65 3ica h ARG 41 CO 0.63 0.27 2.22 0.39 2.80 0.00 0.00 179.97 186.28 3ica n GLU 42 N -4.78 3.68 -1.73 0.20 -0.58 -1.26 -4.91 120.64 111.26 3ica n GLU 42 Ca 0.28 -2.61 0.00 0.00 -0.42 0.00 0.00 57.16 54.41 3ica n GLU 42 Cb 0.90 -2.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.24 3ica n GLU 42 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ica n ALA 44 N 2.26 -2.00 -2.67 0.62 0.00 -1.25 -4.98 120.51 112.49 3ica n ALA 44 Ca 0.63 0.47 -0.42 0.00 0.00 0.00 0.00 53.44 54.12 3ica n ALA 44 Cb 0.37 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 3ica n ALA 44 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ica s VAL 45 N -2.96 4.78 0.09 0.00 1.01 -1.26 -4.79 120.40 117.26 3ica s VAL 45 Ca 0.00 1.93 0.03 0.00 0.00 0.00 0.00 61.98 63.94 3ica s VAL 45 Cb 0.00 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 3ica s VAL 45 CO 0.00 -0.04 0.07 -1.61 0.00 0.00 0.00 175.10 173.52 3ica s GLU 46 N 2.40 2.85 0.00 2.72 2.02 -1.26 -4.52 118.70 122.90 3ica s GLU 46 Ca 0.44 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.72 3ica s GLU 46 Cb -0.17 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.36 3ica s GLU 46 CO 0.13 0.56 0.00 1.28 0.02 0.00 0.00 175.26 177.25 3ica n LEU 47 N 0.42 0.00 0.00 1.80 4.77 0.07 -4.99 117.00 119.07 3ica n LEU 47 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3ica n LEU 47 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3ica n LEU 47 CO 0.43 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.29 3ica n ASN 49 N 0.00 0.00 -4.73 -1.43 5.15 -1.26 -5.01 115.26 107.98 3ica n ASN 49 Ca 0.00 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.68 3ica n ASN 49 Cb 0.00 0.00 0.13 0.00 -0.53 0.00 0.00 39.78 39.38 3ica n ASN 49 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3ica s PRO 50 N 0.00 1.35 0.41 1.20 0.04 -1.26 -4.93 135.00 131.81 3ica s PRO 50 Ca 0.00 0.82 0.27 0.00 0.04 0.00 0.00 61.00 62.13 3ica s PRO 50 Cb 0.00 -1.82 0.84 0.00 0.04 0.00 0.00 34.50 33.56 3ica s PRO 50 CO 0.00 -2.18 1.77 -0.07 0.04 0.00 0.00 177.00 176.57 3ica h LEU 51 N -1.50 0.00 -8.02 -3.56 3.38 -2.00 -3.43 115.31 100.17 3ica h LEU 51 Ca -0.49 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 56.96 3ica h LEU 51 Cb 1.28 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.70 3ica h LEU 51 CO 0.55 0.00 -0.82 -0.55 0.09 0.00 0.00 178.44 177.71 3ica s SER 52 N -5.50 1.83 0.30 -0.43 0.15 -1.26 -5.00 113.70 103.78 3ica s SER 52 Ca 0.05 -0.31 0.26 0.00 0.70 0.00 0.00 55.95 56.65 3ica s SER 52 Cb 0.08 -0.79 0.84 0.00 -1.71 0.00 0.00 66.02 64.44 3ica s SER 52 CO 0.58 0.05 1.76 1.56 1.20 0.00 0.00 173.24 178.39 3ica h GLN 53 N 6.84 0.00 0.00 5.44 4.20 -2.02 -3.35 115.11 126.22 3ica h GLN 53 Ca -0.31 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.30 3ica h GLN 53 Cb 1.19 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.95 3ica h GLN 53 CO 0.48 0.00 -0.77 0.93 -0.67 0.00 0.00 178.83 178.79 3ica h GLU 54 N 0.00 0.00 -5.57 1.46 5.08 -1.97 -3.42 114.58 110.15 3ica h GLU 54 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 3ica h GLU 54 Cb 0.66 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.78 3ica h GLU 54 CO 0.00 0.53 1.48 -0.51 -1.00 0.00 0.00 179.01 179.52 3ica s LEU 55 N -8.09 4.20 0.00 1.33 1.43 -1.26 -3.07 118.68 113.23 3ica s LEU 55 Ca -0.20 -2.07 0.00 0.00 -1.03 0.00 0.00 54.13 50.82 3ica s LEU 55 Cb 0.03 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.75 3ica s LEU 55 CO 0.41 -1.20 0.41 -0.46 0.23 0.00 0.00 176.35 175.73 3ica n ASN 56 N 7.70 0.00 0.00 2.29 6.94 -1.11 -4.52 115.26 126.56 3ica n ASN 56 Ca 0.35 -1.09 0.00 0.00 -0.02 0.00 0.00 54.58 53.83 3ica n ASN 56 Cb 0.48 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 3ica n ASN 56 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ica s ARG 59 N 4.29 2.31 -0.01 0.00 1.70 -0.30 -0.13 118.95 126.81 3ica s ARG 59 Ca 0.00 -0.89 0.12 0.00 -0.47 0.00 0.00 55.73 54.49 3ica s ARG 59 Cb 0.00 -2.38 -0.17 0.00 -0.57 0.00 0.00 34.95 31.83 3ica s ARG 59 CO 0.00 0.55 0.32 1.04 -1.08 0.00 0.00 175.30 176.13 3ica n GLN 60 N 1.13 0.99 -4.08 3.89 6.02 -1.26 -1.86 117.38 122.20 3ica n GLN 60 Ca -0.14 -0.09 -0.08 0.00 -0.01 0.00 0.00 57.00 56.68 3ica n GLN 60 Cb 0.52 -1.23 -0.10 0.00 1.02 0.00 0.00 30.24 30.45 3ica n GLN 60 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3ica s THR 61 N -2.67 0.29 -0.92 5.09 -1.32 -1.26 -4.60 115.64 110.25 3ica s THR 61 Ca -0.02 -1.64 0.27 0.00 -1.21 0.00 0.00 61.69 59.08 3ica s THR 61 Cb 0.08 -1.29 0.19 0.00 -1.51 0.00 0.00 72.50 69.97 3ica s THR 61 CO 0.50 -0.87 1.75 0.18 -2.21 0.00 0.00 174.62 173.97 3ica n LEU 62 N 0.40 0.32 -0.08 9.08 4.77 -1.26 -4.43 117.00 125.79 3ica n LEU 62 Ca -0.16 0.40 -0.13 0.00 -0.03 0.00 0.00 56.01 56.09 3ica n LEU 62 Cb 0.60 -0.39 -0.08 0.00 -2.33 0.00 0.00 43.42 41.22 3ica n LEU 62 CO 0.27 -0.02 0.54 0.25 -1.33 0.00 0.00 177.39 177.10 3ica h LEU 63 N 0.00 -1.61 -1.25 2.23 5.85 -1.96 -3.09 115.31 115.49 3ica h LEU 63 Ca 0.00 0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 3ica h LEU 63 Cb 0.57 0.66 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 3ica h LEU 63 CO 0.00 -0.42 -0.15 -0.26 -0.34 0.00 0.00 178.44 177.28 3ica h PHE 64 N -0.44 0.36 -0.67 1.25 0.04 -2.00 -1.23 116.94 114.25 3ica h PHE 64 Ca 0.09 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.75 3ica h PHE 64 Cb 0.62 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.64 3ica h PHE 64 CO -0.62 0.48 0.22 0.78 -0.60 0.00 0.00 178.31 178.57 3ica h GLY 65 N 0.86 1.12 1.00 -1.45 0.00 -1.85 -0.44 103.07 102.31 3ica h GLY 65 Ca 0.06 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 3ica h GLY 65 CO 0.03 0.61 0.39 -1.33 0.00 0.00 0.00 176.54 176.24 3ica h GLY 66 N 0.98 0.91 0.99 4.60 0.00 -1.27 -0.62 103.07 108.66 3ica h GLY 66 Ca 0.22 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3ica h GLY 66 CO -0.01 0.36 0.23 1.41 0.00 0.00 0.00 176.54 178.53 3ica h LEU 67 N 0.85 0.43 -0.28 3.11 3.38 -0.93 0.40 115.31 122.27 3ica h LEU 67 Ca 0.23 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.23 3ica h LEU 67 Cb -0.04 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.53 3ica h LEU 67 CO -0.04 0.33 -0.35 -0.33 0.09 0.00 0.00 178.44 178.15 3ica h GLU 68 N 0.49 -0.32 -0.67 1.13 5.08 -1.01 -0.02 114.58 119.25 3ica h GLU 68 Ca 0.13 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.55 3ica h GLU 68 Cb -0.03 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 3ica h GLU 68 CO -0.03 -0.22 0.41 1.15 -1.00 0.00 0.00 179.01 179.33 3ica h THR 69 N -0.33 1.06 0.06 1.13 2.02 -0.38 -1.11 112.91 115.35 3ica h THR 69 Ca 0.13 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 3ica h THR 69 Cb 0.55 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3ica h THR 69 CO -0.46 0.14 -0.03 -0.07 0.37 0.00 0.00 175.52 175.47 3ica h LEU 70 N 0.79 -0.06 -1.57 2.58 3.38 0.02 -1.82 115.31 118.64 3ica h LEU 70 Ca 0.28 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.14 3ica h LEU 70 Cb 0.06 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3ica h LEU 70 CO -0.12 0.12 0.36 -1.28 0.09 0.00 0.00 178.44 177.61 3ica h SER 71 N -0.24 0.47 -0.25 -0.43 0.87 -0.84 0.11 113.55 113.24 3ica h SER 71 Ca -0.01 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.45 3ica h SER 71 Cb 0.22 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 3ica h SER 71 CO 0.01 0.32 -0.25 -0.74 -0.53 0.00 0.00 176.83 175.64 3ica h HIS 72 N 0.54 0.73 0.01 2.24 -0.00 -0.87 -3.15 115.15 114.65 3ica h HIS 72 Ca 0.23 -0.22 -0.24 0.00 -0.00 0.00 0.00 60.37 60.14 3ica h HIS 72 Cb 0.23 -0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 27.45 3ica h HIS 72 CO -0.00 0.93 -1.28 -0.91 -0.00 0.00 0.00 177.93 176.67 3ica h ASN 73 N 0.32 0.03 0.56 3.26 2.35 -0.69 -3.27 115.58 118.14 3ica h ASN 73 Ca 0.04 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3ica h ASN 73 Cb 0.80 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 39.17 3ica h ASN 73 CO 0.06 1.03 -0.27 -0.07 -1.65 0.00 0.00 177.43 176.54 3ica h LEU 74 N 0.01 -0.64 0.00 1.61 3.38 -0.92 -2.49 115.31 116.25 3ica h LEU 74 Ca -0.12 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3ica h LEU 74 Cb 1.87 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.79 3ica h LEU 74 CO 0.12 -0.38 0.00 -2.11 0.09 0.00 0.00 178.44 176.15 3ica n ARG 75 N -5.37 0.00 -1.86 1.13 1.85 -1.19 -0.12 116.66 111.10 3ica n ARG 75 Ca -0.12 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.46 3ica n ARG 75 Cb 0.33 -1.47 0.03 0.00 -1.05 0.00 0.00 32.46 30.31 3ica n ARG 75 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3ica n ARG 76 N -0.95 3.38 -3.99 2.89 1.74 -0.96 -5.00 116.66 113.77 3ica n ARG 76 Ca 0.00 -3.95 -0.43 0.00 -0.77 0.00 0.00 57.85 52.70 3ica n ARG 76 Cb 0.00 -2.28 0.03 0.00 -1.02 0.00 0.00 32.46 29.18 3ica n ARG 76 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ica n LYS 77 N -0.76 -0.47 -3.76 5.56 4.76 0.82 -5.01 118.16 119.31 3ica n LYS 77 Ca 0.49 0.17 -0.37 0.00 -2.87 0.00 0.00 58.31 55.73 3ica n LYS 77 Cb 0.88 -2.85 -0.06 0.00 -1.84 0.00 0.00 35.03 31.15 3ica n LYS 77 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3ica s HIS 78 N -3.50 3.57 -0.16 2.13 3.76 -1.06 -5.01 115.29 115.02 3ica s HIS 78 Ca 0.48 0.57 0.12 0.00 -0.15 0.00 0.00 55.06 56.08 3ica s HIS 78 Cb -0.25 -2.08 -0.23 0.00 1.11 0.00 0.00 32.58 31.13 3ica s HIS 78 CO 0.95 0.59 0.20 1.28 -0.85 0.00 0.00 174.74 176.90 3ica n LEU 79 N 2.41 0.91 -4.01 0.89 4.32 -1.26 -4.64 117.00 115.62 3ica n LEU 79 Ca -0.17 0.10 -0.28 0.00 -0.02 0.00 0.00 56.01 55.63 3ica n LEU 79 Cb 0.54 0.06 -0.17 0.00 -1.62 0.00 0.00 43.42 42.23 3ica n LEU 79 CO 0.34 0.57 -0.48 -0.55 -1.22 0.00 0.00 177.39 176.05 3ica s SER 80 N -5.93 2.37 -0.11 -1.43 0.15 -1.26 -1.82 113.70 105.68 3ica s SER 80 Ca -0.14 -0.40 -0.01 0.00 0.70 0.00 0.00 55.95 56.11 3ica s SER 80 Cb 0.07 -1.03 0.03 0.00 -1.71 0.00 0.00 66.02 63.38 3ica s SER 80 CO 0.79 -0.03 -0.06 -0.76 1.20 0.00 0.00 173.24 174.37 3ica s LEU 81 N 1.25 1.09 -0.29 3.45 1.43 0.01 -4.98 118.68 120.64 3ica s LEU 81 Ca -0.02 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 3ica s LEU 81 Cb -0.14 -0.77 0.08 0.00 0.03 0.00 0.00 46.19 45.39 3ica s LEU 81 CO -0.05 -0.13 -0.02 -0.31 0.23 0.00 0.00 176.35 176.07 3ica s TYR 82 N 1.75 3.13 0.04 0.29 1.51 -1.26 -1.23 117.35 121.58 3ica s TYR 82 Ca 0.05 -2.41 0.07 0.00 -1.01 0.00 0.00 57.07 53.77 3ica s TYR 82 Cb -0.13 -2.22 -0.02 0.00 -0.11 0.00 0.00 41.96 39.49 3ica s TYR 82 CO -0.08 -0.88 -0.21 -0.51 -1.11 0.00 0.00 175.55 172.76 3ica s LEU 83 N 1.13 2.15 0.06 -1.29 1.43 0.29 -1.11 118.68 121.36 3ica s LEU 83 Ca 0.01 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3ica s LEU 83 Cb -0.19 -0.99 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 3ica s LEU 83 CO -0.08 0.17 -0.07 0.72 0.23 0.00 0.00 176.35 177.32 3ica s PHE 84 N -0.77 0.74 -0.10 0.29 -0.12 -0.81 -0.38 117.98 116.84 3ica s PHE 84 Ca 0.08 -0.69 -0.06 0.00 -0.05 0.00 0.00 56.93 56.20 3ica s PHE 84 Cb -0.09 -0.44 0.04 0.00 -0.63 0.00 0.00 43.02 41.90 3ica s PHE 84 CO 0.01 -0.13 0.24 -2.00 -0.05 0.00 0.00 175.22 173.30 3ica s GLU 85 N -2.57 0.23 -0.12 1.99 2.12 -0.53 -0.50 118.70 119.32 3ica s GLU 85 Ca -0.01 0.45 -0.14 0.00 0.36 0.00 0.00 54.97 55.63 3ica s GLU 85 Cb -0.03 -0.02 -0.05 0.00 0.26 0.00 0.00 34.13 34.29 3ica s GLU 85 CO -0.02 -0.11 0.34 -1.58 -0.54 0.00 0.00 175.26 173.35 3ica s TRP 86 N 0.82 3.53 -0.24 5.30 0.52 -1.26 -1.09 118.94 126.51 3ica s TRP 86 Ca -0.06 0.72 -0.35 0.00 0.02 0.00 0.00 56.10 56.43 3ica s TRP 86 Cb -0.07 -2.35 0.15 0.00 -1.15 0.00 0.00 33.47 30.05 3ica s TRP 86 CO -0.05 0.32 1.29 0.20 0.02 0.00 0.00 176.95 178.73 3ica s GLY 87 N 0.14 -0.20 0.40 0.98 0.00 -0.82 -4.97 107.32 102.85 3ica s GLY 87 Ca 0.20 1.92 -0.22 0.00 0.00 0.00 0.00 44.72 46.62 3ica s GLY 87 CO 0.07 0.68 0.95 0.54 0.00 0.00 0.00 173.10 175.33 3ica s LYS 88 N -2.02 4.32 0.30 2.90 1.02 -1.26 -1.63 119.74 123.37 3ica s LYS 88 Ca 0.10 1.18 0.11 0.00 0.02 0.00 0.00 55.97 57.38 3ica s LYS 88 Cb -0.01 -2.34 -0.05 0.00 -0.52 0.00 0.00 37.83 34.91 3ica s LYS 88 CO -0.04 0.05 -0.17 0.00 -0.92 0.00 0.00 175.35 174.27 3ica s TYR 90 N -2.54 0.43 0.03 0.00 1.51 -0.78 -1.72 117.35 114.29 3ica s TYR 90 Ca 0.31 -0.36 -0.28 0.00 -1.01 0.00 0.00 57.07 55.73 3ica s TYR 90 Cb -0.03 -0.27 0.09 0.00 -0.11 0.00 0.00 41.96 41.64 3ica s TYR 90 CO 0.15 -0.09 1.02 -0.98 -1.11 0.00 0.00 175.55 174.55 3ica s ARG 91 N -1.04 0.83 0.06 -0.62 1.70 -0.77 -4.15 118.95 114.95 3ica s ARG 91 Ca -0.08 -0.40 -0.06 0.00 -0.47 0.00 0.00 55.73 54.72 3ica s ARG 91 Cb -0.07 0.32 -0.05 0.00 -0.57 0.00 0.00 34.95 34.58 3ica s ARG 91 CO -0.00 -0.37 0.31 -0.06 -1.08 0.00 0.00 175.30 174.10 3ica s PHE 92 N -2.98 3.55 0.09 5.89 0.08 -1.26 -0.33 117.98 123.02 3ica s PHE 92 Ca 0.10 0.58 -0.01 0.00 0.12 0.00 0.00 56.93 57.72 3ica s PHE 92 Cb -0.00 -2.00 -0.04 0.00 -0.57 0.00 0.00 43.02 40.40 3ica s PHE 92 CO -0.03 0.55 0.02 -3.38 -0.10 0.00 0.00 175.22 172.28 3ica s HIS 93 N -1.42 0.71 -0.05 0.36 -3.43 -0.47 -4.90 115.29 106.09 3ica s HIS 93 Ca 0.32 -1.16 -0.38 0.00 -0.80 0.00 0.00 55.06 53.04 3ica s HIS 93 Cb -0.13 -0.44 -0.16 0.00 -1.43 0.00 0.00 32.58 30.41 3ica s HIS 93 CO 0.20 -0.46 1.48 0.00 -2.00 0.00 0.00 174.74 173.95 3ica n ALA 94 N -0.00 -0.80 -1.65 -1.38 0.00 -1.26 -1.37 120.51 114.05 3ica n ALA 94 Ca -0.09 0.47 -0.29 0.00 0.00 0.00 0.00 53.44 53.53 3ica n ALA 94 Cb 0.62 -2.12 0.14 0.00 0.00 0.00 0.00 19.45 18.10 3ica n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ica s ALA 95 N 1.56 1.98 -0.23 0.00 0.00 -1.26 -4.73 121.76 119.09 3ica s ALA 95 Ca 0.90 -0.67 -0.29 0.00 0.00 0.00 0.00 51.96 51.90 3ica s ALA 95 Cb -1.01 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 19.12 3ica s ALA 95 CO 0.54 -2.23 1.51 0.15 0.00 0.00 0.00 175.76 175.73 3ica s LYS 96 N -5.44 3.89 0.00 0.00 -0.14 -1.26 -5.03 119.74 111.76 3ica s LYS 96 Ca 0.65 1.58 -0.00 0.00 -1.36 0.00 0.00 55.97 56.84 3ica s LYS 96 Cb -0.12 -3.97 -0.00 0.00 -1.68 0.00 0.00 37.83 32.06 3ica s LYS 96 CO 0.52 -1.17 0.11 2.89 -0.76 0.00 0.00 175.35 176.94 3ica n ARG 97 N 7.45 0.00 -3.44 1.68 1.85 -1.26 -4.65 116.66 118.29 3ica n ARG 97 Ca 0.17 -0.05 -0.27 0.00 -1.00 0.00 0.00 57.85 56.71 3ica n ARG 97 Cb 0.45 -1.10 -0.08 0.00 -1.05 0.00 0.00 32.46 30.68 3ica n ARG 97 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 3ica n GLU 100 N 2.77 1.97 -3.76 2.89 4.07 -1.26 -5.06 120.64 122.26 3ica n GLU 100 Ca 0.00 -4.30 -0.13 0.00 -0.06 0.00 0.00 57.16 52.67 3ica n GLU 100 Cb 0.01 -2.03 -0.14 0.00 -0.06 0.00 0.00 31.44 29.22 3ica n GLU 100 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 3ica s THR 101 N -1.97 -0.04 0.10 6.31 -1.32 -1.26 -5.05 115.64 112.41 3ica s THR 101 Ca 0.37 0.13 0.20 0.00 -1.21 0.00 0.00 61.69 61.18 3ica s THR 101 Cb 0.12 -0.26 0.15 0.00 -1.51 0.00 0.00 72.50 71.00 3ica s THR 101 CO -0.06 0.05 1.71 1.55 -2.21 0.00 0.00 174.62 175.66 3ica h PRO 102 N 6.93 0.00 -6.91 7.08 0.13 -1.99 -3.46 132.00 133.78 3ica h PRO 102 Ca -0.39 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.24 3ica h PRO 102 Cb 1.16 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.33 3ica h PRO 102 CO 0.41 0.35 0.51 -0.51 -0.23 0.00 0.00 178.00 178.53 3ica s LEU 103 N -6.86 4.28 0.52 1.56 1.43 -1.26 -5.01 118.68 113.34 3ica s LEU 103 Ca 0.01 2.35 -0.23 0.00 -1.03 0.00 0.00 54.13 55.23 3ica s LEU 103 Cb 0.10 -3.92 -0.06 0.00 0.03 0.00 0.00 46.19 42.34 3ica s LEU 103 CO 0.68 -0.55 1.37 0.00 0.23 0.00 0.00 176.35 178.08 3ica s ALA 104 N -1.36 2.94 0.01 4.21 0.00 -1.26 -4.50 121.76 121.80 3ica s ALA 104 Ca 0.54 1.35 -0.26 0.00 0.00 0.00 0.00 51.96 53.59 3ica s ALA 104 Cb -0.31 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.20 3ica s ALA 104 CO 0.40 -1.30 0.80 0.00 0.00 0.00 0.00 175.76 175.66 3ica s ALA 105 N -1.29 3.31 0.19 0.00 0.00 -0.47 -4.89 121.76 118.62 3ica s ALA 105 Ca 0.68 0.31 -0.30 0.00 0.00 0.00 0.00 51.96 52.66 3ica s ALA 105 Cb -0.41 -3.07 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 3ica s ALA 105 CO 0.49 -0.04 1.16 -0.47 0.00 0.00 0.00 175.76 176.90 3ica s TYR 106 N 0.37 3.48 0.02 0.00 5.04 -1.26 -1.36 117.35 123.64 3ica s TYR 106 Ca 0.41 1.50 0.03 0.00 -2.44 0.00 0.00 57.07 56.57 3ica s TYR 106 Cb -0.20 -3.38 -0.02 0.00 0.35 0.00 0.00 41.96 38.72 3ica s TYR 106 CO 0.23 -0.98 -0.09 0.00 -1.34 0.00 0.00 175.55 173.38 3ica s ALA 107 N -0.24 0.71 0.03 3.97 0.00 0.55 -4.97 121.76 121.81 3ica s ALA 107 Ca 0.51 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.92 3ica s ALA 107 Cb -0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 3ica s ALA 107 CO 0.37 0.11 -0.08 -1.83 0.00 0.00 0.00 175.76 174.33 3ica s GLU 108 N -0.85 0.54 -0.12 0.00 -1.05 -1.26 -1.85 118.70 114.12 3ica s GLU 108 Ca -0.02 -0.60 -0.11 0.00 -0.15 0.00 0.00 54.97 54.09 3ica s GLU 108 Cb -0.06 -0.40 0.03 0.00 -0.44 0.00 0.00 34.13 33.26 3ica s GLU 108 CO 0.00 0.09 0.32 0.16 0.95 0.00 0.00 175.26 176.78 3ica s ASP 109 N -1.14 -0.33 0.14 0.83 3.84 -0.70 -4.97 116.67 114.34 3ica s ASP 109 Ca -0.05 0.64 -0.30 0.00 -0.00 0.00 0.00 52.55 52.83 3ica s ASP 109 Cb -0.08 0.64 -0.07 0.00 -1.38 0.00 0.00 42.92 42.03 3ica s ASP 109 CO 0.00 -0.12 1.22 -1.81 -0.00 0.00 0.00 175.17 174.47 3ica s ASP 110 N 0.26 7.05 0.09 2.11 1.01 -1.26 -1.57 116.67 124.37 3ica s ASP 110 Ca -0.01 2.18 0.03 0.00 0.71 0.00 0.00 52.55 55.46 3ica s ASP 110 Cb -0.03 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 3ica s ASP 110 CO -0.00 -0.44 -0.09 -0.13 0.21 0.00 0.00 175.17 174.72 3ica s ARG 111 N 0.34 0.80 -0.18 8.23 3.00 -0.64 -1.86 118.95 128.64 3ica s ARG 111 Ca 0.56 -1.16 -0.00 0.00 0.00 0.00 0.00 55.73 55.13 3ica s ARG 111 Cb -0.32 -0.40 0.01 0.00 0.00 0.00 0.00 34.95 34.24 3ica s ARG 111 CO 0.33 0.04 -0.15 -1.17 0.00 0.00 0.00 175.30 174.36 3ica s LEU 112 N -2.52 2.38 -0.10 2.53 2.96 -0.56 -1.95 118.68 121.41 3ica s LEU 112 Ca 0.05 -0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 53.38 3ica s LEU 112 Cb -0.01 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 3ica s LEU 112 CO -0.01 0.01 0.02 -0.83 -1.32 0.00 0.00 176.35 174.22 3ica s GLY 113 N 1.24 1.88 -0.05 7.98 0.00 -0.25 -0.14 107.32 117.97 3ica s GLY 113 Ca 0.03 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 43.97 3ica s GLY 113 CO -0.08 -0.49 -0.06 -0.42 0.00 0.00 0.00 173.10 172.05 3ica s ILE 114 N -0.77 0.67 -0.05 0.90 1.01 0.61 -1.45 121.20 122.11 3ica s ILE 114 Ca 0.12 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.62 3ica s ILE 114 Cb -0.12 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.68 3ica s ILE 114 CO 0.02 0.26 -0.16 0.26 0.00 0.00 0.00 174.94 175.32 3ica s TRP 115 N 0.97 1.67 -0.04 3.97 0.51 0.49 -0.26 118.94 126.26 3ica s TRP 115 Ca -0.10 -0.54 0.06 0.00 -2.12 0.00 0.00 56.10 53.40 3ica s TRP 115 Cb -0.14 -1.15 -0.01 0.00 -0.81 0.00 0.00 33.47 31.36 3ica s TRP 115 CO 0.00 -0.21 -0.21 0.42 -0.51 0.00 0.00 176.95 176.44 3ica s ILE 116 N 0.24 1.70 -0.20 2.03 1.01 0.61 -0.54 121.20 126.05 3ica s ILE 116 Ca -0.08 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 59.54 3ica s ILE 116 Cb -0.13 -1.44 0.06 0.00 0.01 0.00 0.00 42.46 40.96 3ica s ILE 116 CO 0.03 0.48 0.51 0.00 0.00 0.00 0.00 174.94 175.96 3ica n GLY 118 N 3.35 0.96 3.71 0.00 0.00 -1.26 -0.81 105.19 111.14 3ica n GLY 118 Ca -0.17 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 3ica n GLY 118 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ica s GLN 119 N 0.00 4.40 0.26 1.61 0.74 -0.75 -1.03 119.66 124.89 3ica s GLN 119 Ca 0.00 0.79 -0.30 0.00 0.05 0.00 0.00 55.36 55.90 3ica s GLN 119 Cb 0.00 -3.46 -0.14 0.00 1.10 0.00 0.00 33.01 30.51 3ica s GLN 119 CO 0.00 0.06 1.16 -2.13 -0.55 0.00 0.00 175.29 173.82 3ica n ARG 120 N 3.86 1.53 -2.28 1.67 0.63 0.21 -4.55 116.66 117.73 3ica n ARG 120 Ca -0.02 0.54 -0.41 0.00 -0.92 0.00 0.00 57.85 57.04 3ica n ARG 120 Cb 0.51 -2.02 -0.03 0.00 0.45 0.00 0.00 32.46 31.37 3ica n ARG 120 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3ica s VAL 121 N -0.66 3.16 0.77 5.15 1.01 -1.26 -4.81 120.40 123.76 3ica s VAL 121 Ca 0.64 1.08 -0.14 0.00 0.00 0.00 0.00 61.98 63.56 3ica s VAL 121 Cb -0.71 -3.69 0.06 0.00 0.00 0.00 0.00 36.38 32.04 3ica s VAL 121 CO 0.56 0.23 1.18 -1.00 0.00 0.00 0.00 175.10 176.07 3ica s HIS 122 N -0.71 2.02 0.00 5.22 0.09 -1.26 -5.14 115.29 115.51 3ica s HIS 122 Ca 0.50 1.64 0.00 0.00 -0.00 0.00 0.00 55.06 57.20 3ica s HIS 122 Cb -0.36 -3.41 0.00 0.00 -0.00 0.00 0.00 32.58 28.82 3ica s HIS 122 CO 0.44 -2.56 0.00 -2.30 -0.00 0.00 0.00 174.74 170.32 3ica n PRO 128 N -3.08 0.00 -2.42 8.40 -0.02 -1.26 -5.15 135.00 131.47 3ica n PRO 128 Ca 0.13 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.18 3ica n PRO 128 Cb 0.51 -0.22 0.00 0.00 -0.02 0.00 0.00 33.50 33.77 3ica n PRO 128 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3ica n GLU 129 N -0.74 3.25 -4.73 -0.52 4.07 -1.26 -4.98 120.64 115.73 3ica n GLU 129 Ca 0.00 -3.32 -0.33 0.00 -0.06 0.00 0.00 57.16 53.45 3ica n GLU 129 Cb 0.00 -3.21 -0.13 0.00 -0.06 0.00 0.00 31.44 28.04 3ica n GLU 129 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 3ica s GLU 130 N 2.46 3.17 0.63 5.31 2.12 -1.26 -5.04 118.70 126.09 3ica s GLU 130 Ca 0.46 -0.65 -0.18 0.00 0.36 0.00 0.00 54.97 54.96 3ica s GLU 130 Cb 0.06 -2.61 -0.02 0.00 0.26 0.00 0.00 34.13 31.82 3ica s GLU 130 CO 0.00 0.36 1.27 -2.14 -0.54 0.00 0.00 175.26 174.21 3ica s PRO 131 N -0.01 2.69 0.96 4.30 0.02 -1.26 -0.62 135.00 141.07 3ica s PRO 131 Ca -0.03 1.99 -0.11 0.00 0.02 0.00 0.00 61.00 62.88 3ica s PRO 131 Cb -0.14 -1.87 0.17 0.00 0.02 0.00 0.00 34.50 32.68 3ica s PRO 131 CO 0.04 -1.47 1.12 0.95 -0.33 0.00 0.00 177.00 177.30 3ica s THR 132 N -1.45 2.15 0.09 0.99 -4.23 -0.20 -4.33 115.64 108.66 3ica s THR 132 Ca 0.81 0.05 -0.13 0.00 -1.18 0.00 0.00 61.69 61.24 3ica s THR 132 Cb -0.35 -2.12 0.02 0.00 1.34 0.00 0.00 72.50 71.39 3ica s THR 132 CO 0.38 -0.06 0.31 -0.94 -0.54 0.00 0.00 174.62 173.76 3ica s SER 133 N -2.70 -0.09 0.57 3.99 1.04 -1.26 -4.92 113.70 110.33 3ica s SER 133 Ca 0.67 -0.40 0.28 0.00 0.48 0.00 0.00 55.95 56.98 3ica s SER 133 Cb -0.23 0.40 1.52 0.00 0.10 0.00 0.00 66.02 67.81 3ica s SER 133 CO 0.59 -0.75 1.98 1.62 0.98 0.00 0.00 173.24 177.66 3ica h VAL 134 N 2.70 0.49 -0.42 5.02 3.04 -1.98 -0.47 116.25 124.63 3ica h VAL 134 Ca -0.33 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.30 3ica h VAL 134 Cb 1.22 0.71 -0.02 0.00 -2.01 0.00 0.00 31.29 31.20 3ica h VAL 134 CO 0.50 0.00 0.03 -0.26 -1.01 0.00 0.00 177.57 176.83 3ica h PHE 135 N 0.00 0.68 -0.85 3.17 0.04 -1.99 -0.26 116.94 117.74 3ica h PHE 135 Ca 0.19 -0.07 0.04 0.00 2.80 0.00 0.00 57.97 60.92 3ica h PHE 135 Cb 0.93 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 38.83 3ica h PHE 135 CO 0.00 0.64 0.54 0.93 -0.60 0.00 0.00 178.31 179.81 3ica h GLU 136 N 0.63 0.99 -0.21 1.51 5.08 -1.49 -1.63 114.58 119.45 3ica h GLU 136 Ca 0.13 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.26 3ica h GLU 136 Cb 0.35 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3ica h GLU 136 CO 0.01 0.66 -0.58 1.25 -1.00 0.00 0.00 179.01 179.35 3ica h LEU 137 N 1.02 0.75 -0.71 1.33 5.85 -1.33 -2.06 115.31 120.16 3ica h LEU 137 Ca 0.35 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3ica h LEU 137 Cb 0.07 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3ica h LEU 137 CO -0.14 1.16 0.43 0.50 -0.34 0.00 0.00 178.44 180.05 3ica h LYS 138 N 0.50 0.96 -0.16 1.25 3.64 -0.81 0.06 116.57 122.01 3ica h LYS 138 Ca 0.00 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3ica h LYS 138 Cb 1.15 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 3ica h LYS 138 CO 0.11 0.68 0.08 0.00 -2.27 0.00 0.00 179.45 178.06 3ica h ALA 139 N 1.22 0.21 -0.22 5.00 0.00 -1.13 -1.21 119.26 123.13 3ica h ALA 139 Ca 0.25 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.13 3ica h ALA 139 Cb -0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3ica h ALA 139 CO -0.05 -0.23 -0.08 0.28 0.00 0.00 0.00 179.25 179.17 3ica h VAL 140 N 0.14 0.72 -0.75 0.00 2.07 -1.09 0.18 116.25 117.53 3ica h VAL 140 Ca 0.06 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.68 3ica h VAL 140 Cb 0.12 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 30.53 3ica h VAL 140 CO -0.01 0.00 0.38 0.58 0.02 0.00 0.00 177.57 178.54 3ica h VAL 141 N -0.04 0.83 -0.20 2.57 2.07 -0.78 0.42 116.25 121.12 3ica h VAL 141 Ca 0.11 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 3ica h VAL 141 Cb 0.21 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3ica h VAL 141 CO -0.25 0.11 -0.08 -0.33 0.02 0.00 0.00 177.57 177.04 3ica h GLU 142 N 0.63 0.42 -0.42 1.57 5.08 -0.31 -1.53 114.58 120.02 3ica h GLU 142 Ca 0.37 -0.17 0.08 0.00 -1.00 0.00 0.00 59.36 58.64 3ica h GLU 142 Cb 0.41 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.55 3ica h GLU 142 CO -0.28 0.69 -0.28 1.96 -1.00 0.00 0.00 179.01 180.10 3ica h GLN 143 N 0.12 -0.20 -0.34 2.33 1.08 -0.55 0.97 115.11 118.54 3ica h GLN 143 Ca 0.05 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.31 3ica h GLN 143 Cb 0.56 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.99 3ica h GLN 143 CO 0.03 -0.13 0.07 0.28 -0.95 0.00 0.00 178.83 178.13 3ica h VAL 144 N -0.20 0.84 -0.75 -0.54 2.07 -0.57 0.21 116.25 117.31 3ica h VAL 144 Ca 0.19 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.70 3ica h VAL 144 Cb 0.51 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 3ica h VAL 144 CO -0.53 0.03 0.44 -0.07 0.02 0.00 0.00 177.57 177.46 3ica h LEU 145 N 0.19 0.68 -0.52 2.57 3.38 -0.92 -2.57 115.31 118.13 3ica h LEU 145 Ca 0.16 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 3ica h LEU 145 Cb 0.17 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3ica h LEU 145 CO -0.21 0.44 -0.03 0.00 0.09 0.00 0.00 178.44 178.74 3ica h ARG 147 N 0.81 0.37 -0.63 0.00 9.65 -0.27 0.15 114.38 124.45 3ica h ARG 147 Ca 0.14 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 3ica h ARG 147 Cb 0.57 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 3ica h ARG 147 CO 0.03 0.24 0.00 1.33 2.80 0.00 0.00 179.97 184.37 3ica n VAL 148 N -4.47 1.33 -2.04 0.20 0.24 -1.05 -4.91 118.33 107.63 3ica n VAL 148 Ca 0.07 -0.81 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 3ica n VAL 148 Cb 0.29 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 3ica n VAL 148 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ica n GLY 149 N 0.76 0.85 3.02 7.63 0.00 0.51 -5.04 105.19 112.92 3ica n GLY 149 Ca 0.17 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 3ica n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ica s ILE 150 N -2.60 2.48 0.57 -0.61 1.01 0.39 -4.99 121.20 117.45 3ica s ILE 150 Ca 0.00 -2.49 -0.20 0.00 0.00 0.00 0.00 60.65 57.97 3ica s ILE 150 Cb 0.00 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 3ica s ILE 150 CO 0.00 -0.65 1.24 -1.61 0.00 0.00 0.00 174.94 173.92 3ica s GLU 151 N 0.72 3.07 0.50 2.79 0.41 -1.26 -3.28 118.70 121.64 3ica s GLU 151 Ca 0.12 1.92 0.24 0.00 -0.41 0.00 0.00 54.97 56.84 3ica s GLU 151 Cb -0.21 -2.05 1.31 0.00 -1.78 0.00 0.00 34.13 31.41 3ica s GLU 151 CO -0.06 -1.15 1.93 1.79 -0.49 0.00 0.00 175.26 177.27 3ica h THR 152 N 1.10 0.68 0.00 3.63 1.35 -1.94 0.11 112.91 117.83 3ica h THR 152 Ca -0.50 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 3ica h THR 152 Cb 1.30 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 3ica h THR 152 CO 0.56 0.03 0.00 1.23 -0.25 0.00 0.00 175.52 177.09 3ica h GLY 153 N 0.14 0.00 2.00 5.82 0.00 -2.04 -3.16 103.07 105.83 3ica h GLY 153 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3ica h GLY 153 CO -0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.49 3ica h ALA 154 N 2.09 1.00 -2.40 3.60 0.00 -1.12 -3.46 119.26 118.97 3ica h ALA 154 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3ica h ALA 154 Cb 0.37 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.01 3ica h ALA 154 CO 0.00 0.00 -0.57 1.52 0.00 0.00 0.00 179.25 180.20 3ica s TYR 155 N -3.31 0.56 0.32 0.00 1.13 -1.20 -3.14 117.35 111.72 3ica s TYR 155 Ca 0.06 -1.01 0.10 0.00 -1.41 0.00 0.00 57.07 54.81 3ica s TYR 155 Cb 0.09 -0.33 -0.05 0.00 -1.10 0.00 0.00 41.96 40.57 3ica s TYR 155 CO 0.54 -0.50 -0.06 -0.08 -2.51 0.00 0.00 175.55 172.94 3ica s THR 156 N -3.96 2.58 -0.20 -3.49 -1.32 0.18 -4.96 115.64 104.47 3ica s THR 156 Ca 0.14 -2.12 -0.07 0.00 -1.21 0.00 0.00 61.69 58.43 3ica s THR 156 Cb 0.07 -2.66 -0.04 0.00 -1.51 0.00 0.00 72.50 68.36 3ica s THR 156 CO -0.05 -0.26 0.06 -0.76 -2.21 0.00 0.00 174.62 171.40 3ica s LEU 157 N -3.64 3.64 0.06 9.08 1.43 -1.26 -1.51 118.68 126.47 3ica s LEU 157 Ca 0.33 -0.04 0.09 0.00 -1.03 0.00 0.00 54.13 53.49 3ica s LEU 157 Cb -0.01 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 3ica s LEU 157 CO 0.18 0.10 -0.26 -1.59 0.23 0.00 0.00 176.35 175.02 3ica s LYS 158 N 0.79 1.65 0.33 1.70 -2.85 -0.05 -4.94 119.74 116.37 3ica s LYS 158 Ca 0.03 -1.13 -0.29 0.00 -1.00 0.00 0.00 55.97 53.58 3ica s LYS 158 Cb -0.14 -1.88 -0.11 0.00 -2.06 0.00 0.00 37.83 33.65 3ica s LYS 158 CO 0.02 0.48 1.51 0.99 0.10 0.00 0.00 175.35 178.44 3ica s THR 159 N -0.86 2.17 0.11 3.79 2.01 -1.26 -0.36 115.64 121.24 3ica s THR 159 Ca 0.11 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.31 3ica s THR 159 Cb -0.10 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 3ica s THR 159 CO 0.03 0.03 0.11 0.00 -0.69 0.00 0.00 174.62 174.10 3ica s ALA 160 N -0.61 3.60 -0.61 7.40 0.00 0.84 -4.72 121.76 127.66 3ica s ALA 160 Ca 0.57 -1.08 -0.00 0.00 0.00 0.00 0.00 51.96 51.44 3ica s ALA 160 Cb -0.46 -1.44 0.16 0.00 0.00 0.00 0.00 23.12 21.38 3ica s ALA 160 CO 0.55 0.65 0.40 0.34 0.00 0.00 0.00 175.76 177.70 3ica s ASP 161 N -2.70 4.94 -0.22 0.00 2.15 -1.26 -4.54 116.67 115.05 3ica s ASP 161 Ca 0.30 -3.02 -0.04 0.00 0.43 0.00 0.00 52.55 50.22 3ica s ASP 161 Cb -0.11 -1.78 0.08 0.00 -0.30 0.00 0.00 42.92 40.81 3ica s ASP 161 CO 0.23 -0.29 0.15 0.21 -0.17 0.00 0.00 175.17 175.29 3ica s ASN 162 N 0.18 2.36 0.00 -0.34 3.84 -1.26 -4.95 114.94 114.78 3ica s ASN 162 Ca 0.18 -0.70 0.15 0.00 0.21 0.00 0.00 52.86 52.70 3ica s ASN 162 Cb -0.21 -0.07 0.78 0.00 -0.55 0.00 0.00 41.25 41.21 3ica s ASN 162 CO -0.03 -0.37 1.37 -0.90 -2.79 0.00 0.00 177.10 174.37 3ica n ASP 163 N 5.28 0.00 0.28 -4.21 5.68 -1.26 -0.76 116.55 121.56 3ica n ASP 163 Ca -0.06 -0.10 0.13 0.00 -0.50 0.00 0.00 54.79 54.26 3ica n ASP 163 Cb 0.47 -0.19 0.80 0.00 -1.14 0.00 0.00 41.12 41.06 3ica n ASP 163 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3ica h LEU 164 N 0.00 0.00 -9.06 -2.12 3.38 -1.98 -3.44 115.31 102.09 3ica h LEU 164 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 3ica h LEU 164 Cb 0.09 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.64 3ica h LEU 164 CO 0.00 0.06 -0.75 -0.31 0.09 0.00 0.00 178.44 177.53 3ica s TYR 165 N -4.49 2.74 0.12 1.13 2.02 0.06 -1.23 117.35 117.71 3ica s TYR 165 Ca -0.04 -0.13 -0.17 0.00 -0.37 0.00 0.00 57.07 56.36 3ica s TYR 165 Cb 0.14 -1.57 -0.03 0.00 -0.40 0.00 0.00 41.96 40.11 3ica s TYR 165 CO 0.58 0.29 1.66 0.00 -1.57 0.00 0.00 175.55 176.51 3ica h ALA 166 N 4.72 0.45 -2.46 3.71 0.00 -0.42 -3.40 119.26 121.86 3ica h ALA 166 Ca -0.48 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.18 3ica h ALA 166 Cb 1.16 -0.13 -0.20 0.00 0.00 0.00 0.00 17.79 18.61 3ica h ALA 166 CO 0.51 0.06 -0.22 -1.54 0.00 0.00 0.00 179.25 178.06 3ica s SER 167 N -5.81 -0.26 0.00 0.00 1.04 -1.18 -4.97 113.70 102.52 3ica s SER 167 Ca -0.13 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.49 3ica s SER 167 Cb 0.09 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3ica s SER 167 CO 0.74 -0.45 0.00 0.00 0.98 0.00 0.00 173.24 174.51 3ica n ALA 168 N 1.31 0.00 -2.93 5.32 0.00 -1.26 -1.44 120.51 121.50 3ica n ALA 168 Ca -0.21 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.11 3ica n ALA 168 Cb 0.56 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.87 3ica n ALA 168 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ica s GLU 170 N 2.44 -0.00 -0.26 0.00 2.02 0.51 -0.11 118.70 123.30 3ica s GLU 170 Ca 0.00 0.01 -0.11 0.00 0.02 0.00 0.00 54.97 54.90 3ica s GLU 170 Cb 0.00 -0.02 -0.05 0.00 0.10 0.00 0.00 34.13 34.16 3ica s GLU 170 CO 0.00 -0.01 0.17 0.08 0.02 0.00 0.00 175.26 175.52 3ica s VAL 171 N 0.07 5.30 0.00 2.63 1.01 0.29 -0.87 120.40 128.84 3ica s VAL 171 Ca -0.01 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.14 3ica s VAL 171 Cb -0.01 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 3ica s VAL 171 CO -0.00 0.30 -0.02 -0.54 0.00 0.00 0.00 175.10 174.83 3ica s LYS 172 N 1.41 0.20 0.79 2.72 1.02 -0.57 -0.57 119.74 124.73 3ica s LYS 172 Ca 0.07 -0.18 -0.11 0.00 0.02 0.00 0.00 55.97 55.77 3ica s LYS 172 Cb -0.15 -0.13 0.06 0.00 -0.52 0.00 0.00 37.83 37.10 3ica s LYS 172 CO 0.08 0.03 1.09 0.95 -0.92 0.00 0.00 175.35 176.57 3ica s THR 173 N -0.31 3.21 0.30 2.17 -4.23 -0.34 -0.64 115.64 115.80 3ica s THR 173 Ca -0.02 0.39 0.05 0.00 -1.18 0.00 0.00 61.69 60.93 3ica s THR 173 Cb -0.02 -3.09 0.30 0.00 1.34 0.00 0.00 72.50 71.03 3ica s THR 173 CO -0.00 -0.51 1.68 0.03 -0.54 0.00 0.00 174.62 175.28 3ica h ARG 174 N -1.08 0.35 0.00 3.99 2.47 -1.90 0.15 114.38 118.35 3ica h ARG 174 Ca -0.46 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 3ica h ARG 174 Cb 1.26 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 3ica h ARG 174 CO 0.58 0.23 0.00 0.66 0.56 0.00 0.00 179.97 182.00 3ica h SER 175 N 0.36 0.00 0.00 7.04 4.64 -1.92 -3.47 113.55 120.20 3ica h SER 175 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 3ica h SER 175 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3ica h SER 175 CO -0.56 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.01 3ica n GLY 176 N 0.11 0.62 3.69 -0.77 0.00 0.51 -5.08 105.19 104.26 3ica n GLY 176 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3ica n GLY 176 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ica s LYS 177 N -0.79 4.23 -0.16 1.61 2.20 -1.26 -4.74 119.74 120.83 3ica s LYS 177 Ca 0.00 2.21 -0.29 0.00 -0.36 0.00 0.00 55.97 57.52 3ica s LYS 177 Cb 0.00 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.74 3ica s LYS 177 CO 0.00 -0.67 1.28 -1.17 -0.36 0.00 0.00 175.35 174.43 3ica s LEU 178 N 2.45 4.19 0.03 5.43 2.96 -1.26 -1.19 118.68 131.28 3ica s LEU 178 Ca 0.70 1.71 0.20 0.00 -0.22 0.00 0.00 54.13 56.52 3ica s LEU 178 Cb -0.37 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 42.60 3ica s LEU 178 CO 0.30 -0.77 0.67 0.18 -1.32 0.00 0.00 176.35 175.41 3ica n LEU 179 N 6.63 0.51 0.00 -0.68 4.77 0.26 -4.85 117.00 123.64 3ica n LEU 179 Ca 0.14 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 3ica n LEU 179 Cb 0.45 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3ica n LEU 179 CO 0.56 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3ica n GLY 180 N 1.37 -2.36 2.89 -0.72 0.00 -1.20 -0.90 105.19 104.27 3ica n GLY 180 Ca -0.10 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.57 3ica n GLY 180 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ica s THR 181 N -2.09 -0.00 0.04 2.61 2.01 -0.64 -0.55 115.64 117.02 3ica s THR 181 Ca 0.00 0.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.95 3ica s THR 181 Cb 0.00 -0.04 -0.01 0.00 0.01 0.00 0.00 72.50 72.46 3ica s THR 181 CO 0.00 0.01 0.11 0.72 -0.69 0.00 0.00 174.62 174.77 3ica s PHE 182 N 0.08 0.18 -2.37 4.92 -0.12 -1.26 -0.08 117.98 119.33 3ica s PHE 182 Ca -0.01 -0.47 0.00 0.00 -0.05 0.00 0.00 56.93 56.41 3ica s PHE 182 Cb -0.01 -0.12 0.00 0.00 -0.63 0.00 0.00 43.02 42.26 3ica s PHE 182 CO -0.00 -0.38 0.00 0.41 -0.05 0.00 0.00 175.22 175.20 3ica n GLY 183 N 0.75 -0.56 3.47 1.99 0.00 -0.78 -4.50 105.19 105.57 3ica n GLY 183 Ca -0.19 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 3ica n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ica s THR 184 N -3.00 4.35 0.39 2.61 2.01 -0.52 -1.35 115.64 120.13 3ica s THR 184 Ca 0.00 -0.17 -0.27 0.00 0.31 0.00 0.00 61.69 61.56 3ica s THR 184 Cb 0.00 -3.02 -0.10 0.00 0.01 0.00 0.00 72.50 69.39 3ica s THR 184 CO 0.00 0.36 1.47 -0.69 -0.69 0.00 0.00 174.62 175.08 3ica s VAL 185 N 1.37 2.06 0.27 3.82 1.01 -0.83 0.15 120.40 128.25 3ica s VAL 185 Ca 0.05 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 3ica s VAL 185 Cb -0.15 -3.03 -0.13 0.00 0.00 0.00 0.00 36.38 33.07 3ica s VAL 185 CO 0.03 0.01 1.36 -1.54 0.00 0.00 0.00 175.10 174.96 3ica n SER 186 N 0.32 2.70 -0.20 3.32 3.41 -0.37 -3.93 113.62 118.87 3ica n SER 186 Ca 0.02 1.16 0.01 0.00 -0.26 0.00 0.00 58.87 59.80 3ica n SER 186 Cb 0.40 -1.44 0.10 0.00 -0.26 0.00 0.00 64.21 63.01 3ica n SER 186 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3ica h THR 187 N 2.86 0.55 -0.27 6.66 2.02 -1.91 -0.73 112.91 122.10 3ica h THR 187 Ca -0.45 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 66.70 3ica h THR 187 Cb 1.28 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 68.01 3ica h THR 187 CO 0.71 0.03 -0.33 -0.33 0.37 0.00 0.00 175.52 175.97 3ica h GLU 188 N 0.17 -0.21 -0.72 6.66 3.07 -1.99 -1.50 114.58 120.06 3ica h GLU 188 Ca 0.32 0.01 0.09 0.00 -0.50 0.00 0.00 59.36 59.29 3ica h GLU 188 Cb 0.50 0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.42 3ica h GLU 188 CO -0.48 -0.14 0.47 -0.07 -1.40 0.00 0.00 179.01 177.40 3ica h LEU 189 N -0.22 0.56 -0.01 1.33 3.38 -1.52 0.17 115.31 119.01 3ica h LEU 189 Ca 0.05 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 3ica h LEU 189 Cb 0.34 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3ica h LEU 189 CO -0.37 0.34 -0.53 0.16 0.09 0.00 0.00 178.44 178.14 3ica h ILE 190 N 0.63 0.91 -0.18 1.22 3.07 -1.13 -3.03 117.51 119.00 3ica h ILE 190 Ca 0.33 -2.28 -0.06 0.00 1.55 0.00 0.00 64.86 64.40 3ica h ILE 190 Cb 0.45 2.45 -0.00 0.00 -0.27 0.00 0.00 36.82 39.45 3ica h ILE 190 CO -0.11 0.52 -0.13 0.11 -1.05 0.00 0.00 178.15 177.48 3ica h LYS 191 N 0.00 0.40 -0.58 0.16 1.79 -0.00 0.49 116.57 118.83 3ica h LYS 191 Ca -0.01 -0.20 0.17 0.00 -2.18 0.00 0.00 60.65 58.44 3ica h LYS 191 Cb 1.40 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.03 3ica h LYS 191 CO 0.07 0.74 0.42 -0.09 -1.08 0.00 0.00 179.45 179.51 3ica h ARG 192 N 0.07 0.00 -0.67 3.15 2.43 -0.73 0.32 114.38 118.95 3ica h ARG 192 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3ica h ARG 192 Cb 0.65 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 3ica h ARG 192 CO 0.04 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.69 3ica n PHE 193 N -4.36 0.89 -2.88 2.20 3.72 -1.15 -4.94 117.46 110.94 3ica n PHE 193 Ca 0.11 -0.44 -0.21 0.00 -0.05 0.00 0.00 57.45 56.85 3ica n PHE 193 Cb 0.66 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.21 3ica n PHE 193 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3ica n GLU 194 N 1.61 -3.69 -3.15 -1.08 1.02 0.11 -4.77 120.64 110.70 3ica n GLU 194 Ca 0.24 0.83 -0.39 0.00 -0.02 0.00 0.00 57.16 57.81 3ica n GLU 194 Cb 0.61 -5.60 -0.05 0.00 -0.02 0.00 0.00 31.44 26.38 3ica n GLU 194 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3ica s ILE 195 N -3.05 4.93 -0.50 -3.67 1.01 0.13 -4.97 121.20 115.08 3ica s ILE 195 Ca 0.22 1.32 0.02 0.00 0.00 0.00 0.00 60.65 62.22 3ica s ILE 195 Cb -0.10 -3.97 0.46 0.00 0.01 0.00 0.00 42.46 38.85 3ica s ILE 195 CO 0.27 0.37 1.66 1.21 0.00 0.00 0.00 174.94 178.45 3ica n GLU 196 N 3.04 3.07 -3.63 2.79 4.07 -1.26 -4.26 120.64 124.46 3ica n GLU 196 Ca -0.05 -3.67 -0.04 0.00 -0.06 0.00 0.00 57.16 53.34 3ica n GLU 196 Cb 0.51 -2.28 -0.05 0.00 -0.06 0.00 0.00 31.44 29.57 3ica n GLU 196 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 3ica s GLN 197 N -3.72 0.20 0.34 5.31 0.74 -1.26 -5.15 119.66 116.12 3ica s GLN 197 Ca 0.59 0.07 -0.28 0.00 0.05 0.00 0.00 55.36 55.78 3ica s GLN 197 Cb 0.46 0.09 -0.10 0.00 1.10 0.00 0.00 33.01 34.57 3ica s GLN 197 CO 0.01 -0.06 1.27 -2.14 -0.55 0.00 0.00 175.29 173.83 3ica s PRO 198 N -0.89 4.32 -0.09 1.67 0.02 -1.26 -5.02 135.00 133.74 3ica s PRO 198 Ca 0.06 2.14 0.03 0.00 0.02 0.00 0.00 61.00 63.25 3ica s PRO 198 Cb -0.01 -3.02 -0.01 0.00 0.02 0.00 0.00 34.50 31.48 3ica s PRO 198 CO -0.06 -0.19 -0.20 0.08 -0.33 0.00 0.00 177.00 176.29 3ica s VAL 199 N -1.18 2.41 -0.22 3.83 1.01 -1.26 -4.36 120.40 120.64 3ica s VAL 199 Ca 0.50 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 3ica s VAL 199 Cb -0.38 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3ica s VAL 199 CO 0.50 0.55 0.02 -0.31 0.00 0.00 0.00 175.10 175.87 3ica s TYR 200 N 0.14 3.05 -0.09 5.22 1.51 0.15 -1.96 117.35 125.38 3ica s TYR 200 Ca -0.11 -0.51 0.02 0.00 -1.01 0.00 0.00 57.07 55.46 3ica s TYR 200 Cb -0.16 -2.14 0.01 0.00 -0.11 0.00 0.00 41.96 39.56 3ica s TYR 200 CO 0.06 -0.33 -0.15 0.12 -1.11 0.00 0.00 175.55 174.15 3ica s PHE 201 N 1.29 1.81 -0.01 2.71 5.36 -0.46 -0.28 117.98 128.40 3ica s PHE 201 Ca 0.04 -0.76 0.03 0.00 -0.96 0.00 0.00 56.93 55.28 3ica s PHE 201 Cb -0.15 -1.30 -0.03 0.00 -0.34 0.00 0.00 43.02 41.20 3ica s PHE 201 CO 0.02 -0.38 -0.07 0.00 -1.46 0.00 0.00 175.22 173.32 3ica s ALA 202 N 0.78 3.00 -0.17 11.12 0.00 0.64 -1.86 121.76 135.26 3ica s ALA 202 Ca -0.12 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 50.82 3ica s ALA 202 Cb -0.16 -1.13 0.05 0.00 0.00 0.00 0.00 23.12 21.88 3ica s ALA 202 CO 0.02 0.61 -0.00 -2.00 0.00 0.00 0.00 175.76 174.38 3ica s GLU 203 N -1.32 0.97 -0.09 0.00 2.12 0.89 -0.28 118.70 120.99 3ica s GLU 203 Ca 0.16 -0.42 -0.04 0.00 0.36 0.00 0.00 54.97 55.03 3ica s GLU 203 Cb -0.11 -1.94 -0.04 0.00 0.26 0.00 0.00 34.13 32.30 3ica s GLU 203 CO 0.06 -0.52 0.09 -0.51 -0.54 0.00 0.00 175.26 173.84 3ica s LEU 204 N 1.77 4.06 -0.90 2.70 1.43 0.80 -1.62 118.68 126.91 3ica s LEU 204 Ca 0.00 0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 53.25 3ica s LEU 204 Cb -0.16 -2.05 0.17 0.00 0.03 0.00 0.00 46.19 44.18 3ica s LEU 204 CO -0.07 0.37 0.99 -0.76 0.23 0.00 0.00 176.35 177.10 3ica s LEU 205 N -1.14 5.81 0.31 1.79 1.43 -0.07 -1.50 118.68 125.30 3ica s LEU 205 Ca 0.16 -2.39 0.06 0.00 -1.03 0.00 0.00 54.13 50.94 3ica s LEU 205 Cb -0.12 -2.31 0.84 0.00 0.03 0.00 0.00 46.19 44.63 3ica s LEU 205 CO 0.06 -0.83 1.66 -0.25 0.23 0.00 0.00 176.35 177.22 3ica h TRP 206 N 8.28 0.57 -0.09 0.29 2.91 -1.67 0.15 115.95 126.39 3ica h TRP 206 Ca 0.14 0.05 0.01 0.00 1.13 0.00 0.00 58.89 60.22 3ica h TRP 206 Cb 1.02 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 29.56 3ica h TRP 206 CO 1.10 -0.18 0.06 -0.44 -1.03 0.00 0.00 178.44 177.95 3ica h ASP 207 N 0.27 0.07 1.50 2.65 3.45 -1.91 -2.21 116.42 120.24 3ica h ASP 207 Ca 0.61 -0.00 -0.07 0.00 0.43 0.00 0.00 57.03 58.01 3ica h ASP 207 Cb 1.29 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 40.04 3ica h ASP 207 CO -0.63 0.05 -0.51 0.00 -1.57 0.00 0.00 179.24 176.58 3ica h ALA 208 N 1.95 0.75 0.00 3.45 0.00 -1.03 -3.53 119.26 120.86 3ica h ALA 208 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ica h ALA 208 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ica h ALA 208 CO -0.01 0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.92