#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 1.31 -0.20 5.20 0.00 -2.05 -1.93 119.26 121.59 3ica h ALA 0 Ca 0.00 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 3ica h ALA 0 Cb 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.62 3ica h ALA 0 CO 0.00 0.48 -0.62 0.22 0.00 0.00 0.00 179.25 179.33 3ica h ASP 1 N 0.64 0.88 0.12 0.00 3.58 -2.06 -2.07 116.42 117.51 3ica h ASP 1 Ca 0.14 -0.59 -0.01 0.00 0.42 0.00 0.00 57.03 56.99 3ica h ASP 1 Cb 0.30 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.10 3ica h ASP 1 CO 0.00 1.32 -0.06 -0.09 -2.88 0.00 0.00 179.24 177.54 3ica h ARG 2 N 0.49 -0.15 -0.75 0.28 2.43 -1.93 -2.16 114.38 112.59 3ica h ARG 2 Ca -0.02 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3ica h ARG 2 Cb 1.24 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.79 3ica h ARG 2 CO 0.13 -0.06 0.46 0.00 -1.51 0.00 0.00 179.97 178.99 3ica h ARG 3 N -0.21 1.02 -0.34 0.20 3.08 -1.43 -2.56 114.38 114.15 3ica h ARG 3 Ca -0.02 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 3ica h ARG 3 Cb 0.16 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3ica h ARG 3 CO 0.03 0.71 -0.06 -0.92 -1.07 0.00 0.00 179.97 178.66 3ica h TYR 4 N 1.04 0.58 -0.55 3.04 3.20 -1.08 -0.42 116.97 122.78 3ica h TYR 4 Ca 0.27 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 3ica h TYR 4 Cb -0.05 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 3ica h TYR 4 CO 0.00 0.60 0.16 0.87 -1.64 0.00 0.00 178.16 178.16 3ica h LYS 5 N 0.51 0.86 -0.67 1.82 1.79 -0.97 -1.83 116.57 118.08 3ica h LYS 5 Ca 0.10 -0.19 -0.06 0.00 -2.18 0.00 0.00 60.65 58.32 3ica h LYS 5 Cb 0.42 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.92 3ica h LYS 5 CO 0.02 0.79 0.18 -1.49 -1.08 0.00 0.00 179.45 177.87 3ica h TRP 6 N 0.77 1.08 -0.28 -1.35 4.06 -1.32 -2.60 115.95 116.32 3ica h TRP 6 Ca 0.18 -0.11 0.05 0.00 2.06 0.00 0.00 58.89 61.06 3ica h TRP 6 Cb 0.29 -0.31 -0.04 0.00 -1.00 0.00 0.00 29.16 28.10 3ica h TRP 6 CO 0.02 0.87 0.01 1.96 -3.56 0.00 0.00 178.44 177.74 3ica h GLN 7 N 1.00 0.09 -0.22 0.49 4.20 -0.83 -2.13 115.11 117.71 3ica h GLN 7 Ca 0.22 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.81 3ica h GLN 7 Cb 0.32 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3ica h GLN 7 CO -0.00 0.06 -0.34 1.79 -0.67 0.00 0.00 178.83 179.66 3ica h THR 8 N 0.09 1.29 -0.61 -0.54 1.35 -1.16 0.65 112.91 113.99 3ica h THR 8 Ca 0.13 -1.44 0.03 0.00 -0.55 0.00 0.00 66.41 64.58 3ica h THR 8 Cb 0.17 1.49 -0.04 0.00 -1.73 0.00 0.00 68.15 68.05 3ica h THR 8 CO -0.22 0.45 0.37 0.58 -0.25 0.00 0.00 175.52 176.45 3ica h VAL 9 N 0.40 1.06 -0.45 6.82 2.07 -1.29 0.40 116.25 125.26 3ica h VAL 9 Ca 0.05 -0.25 -0.13 0.00 0.82 0.00 0.00 66.70 67.19 3ica h VAL 9 Cb 0.79 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3ica h VAL 9 CO 0.06 0.13 -0.22 0.58 0.02 0.00 0.00 177.57 178.15 3ica h VAL 10 N 0.72 1.27 -0.67 2.57 2.07 -1.04 -2.63 116.25 118.54 3ica h VAL 10 Ca 0.25 -1.36 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 3ica h VAL 10 Cb 0.03 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3ica h VAL 10 CO -0.11 0.47 0.25 0.28 0.02 0.00 0.00 177.57 178.47 3ica h SER 11 N 0.79 0.93 -0.53 0.57 0.02 -0.49 -1.83 113.55 113.01 3ica h SER 11 Ca 0.11 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3ica h SER 11 Cb 0.77 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 3ica h SER 11 CO 0.06 0.84 0.29 -0.33 -1.14 0.00 0.00 176.83 176.56 3ica h GLU 12 N 0.98 0.73 -0.53 3.45 5.08 -0.03 -0.83 114.58 123.43 3ica h GLU 12 Ca 0.22 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3ica h GLU 12 Cb 0.22 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3ica h GLU 12 CO -0.02 0.56 0.15 0.37 -1.00 0.00 0.00 179.01 179.07 3ica h GLN 13 N 0.71 0.81 -0.14 2.33 4.15 -1.25 -0.23 115.11 121.48 3ica h GLN 13 Ca 0.19 -0.15 -0.09 0.00 0.77 0.00 0.00 58.65 59.37 3ica h GLN 13 Cb 0.04 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.60 3ica h GLN 13 CO -0.03 0.72 -0.24 -0.07 -1.93 0.00 0.00 178.83 177.27 3ica h LEU 14 N 0.78 0.46 -0.38 -2.39 3.38 -0.98 -1.83 115.31 114.36 3ica h LEU 14 Ca 0.18 -0.54 0.04 0.00 0.09 0.00 0.00 57.88 57.65 3ica h LEU 14 Cb 0.26 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3ica h LEU 14 CO -0.01 0.91 0.15 0.58 0.09 0.00 0.00 178.44 180.17 3ica h VAL 15 N 0.03 0.92 -0.92 1.22 2.07 -1.06 0.38 116.25 118.89 3ica h VAL 15 Ca 0.01 -0.11 0.18 0.00 0.82 0.00 0.00 66.70 67.60 3ica h VAL 15 Cb 0.82 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 3ica h VAL 15 CO 0.06 0.06 0.59 1.23 0.02 0.00 0.00 177.57 179.53 3ica h GLY 16 N 0.32 1.18 0.57 2.17 0.00 -1.02 0.25 103.07 106.56 3ica h GLY 16 Ca 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3ica h GLY 16 CO -0.16 0.02 0.00 0.00 0.00 0.00 0.00 176.54 176.41 3ica n ALA 17 N -2.45 2.62 0.00 3.60 0.00 -0.05 -4.87 120.51 119.37 3ica n ALA 17 Ca 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3ica n ALA 17 Cb 0.58 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.87 0.76 3.82 0.00 0.00 0.88 -5.06 105.19 106.47 3ica n GLY 18 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 3.15 -0.04 1.61 0.40 -0.22 -4.76 117.98 116.12 3ica s PHE 19 Ca 0.00 1.49 0.01 0.00 -0.60 0.00 0.00 56.93 57.82 3ica s PHE 19 Cb 0.00 -2.93 -0.03 0.00 0.51 0.00 0.00 43.02 40.57 3ica s PHE 19 CO 0.00 -0.88 -0.03 -0.80 0.70 0.00 0.00 175.22 174.21 3ica s ASN 20 N -2.95 4.94 0.03 1.36 0.01 0.11 -4.35 114.94 114.09 3ica s ASN 20 Ca 0.62 0.01 -0.19 0.00 -0.71 0.00 0.00 52.86 52.58 3ica s ASN 20 Cb -0.14 -1.29 -0.06 0.00 0.41 0.00 0.00 41.25 40.18 3ica s ASN 20 CO 0.36 0.33 0.55 -0.70 -1.51 0.00 0.00 177.10 176.13 3ica s GLU 21 N -1.15 4.21 0.33 -0.60 2.12 -1.26 -1.61 118.70 120.73 3ica s GLU 21 Ca 0.16 0.67 0.05 0.00 0.36 0.00 0.00 54.97 56.21 3ica s GLU 21 Cb -0.11 -3.28 -0.07 0.00 0.26 0.00 0.00 34.13 30.93 3ica s GLU 21 CO 0.05 0.54 0.03 0.96 -0.54 0.00 0.00 175.26 176.30 3ica s ILE 22 N -0.73 1.39 -0.26 -3.70 -4.36 0.09 -4.93 121.20 108.72 3ica s ILE 22 Ca 0.29 -2.02 -0.06 0.00 -0.26 0.00 0.00 60.65 58.59 3ica s ILE 22 Cb -0.18 -2.76 0.13 0.00 1.25 0.00 0.00 42.46 40.89 3ica s ILE 22 CO 0.17 -0.06 0.52 -0.22 0.24 0.00 0.00 174.94 175.59 3ica s LEU 23 N -3.51 -0.94 0.16 0.37 2.96 -1.26 -4.40 118.68 112.05 3ica s LEU 23 Ca 0.35 1.03 0.09 0.00 -0.22 0.00 0.00 54.13 55.38 3ica s LEU 23 Cb 0.08 1.76 -0.04 0.00 0.50 0.00 0.00 46.19 48.49 3ica s LEU 23 CO 0.15 -0.24 -0.15 0.20 -1.32 0.00 0.00 176.35 174.99 3ica s ASN 24 N 2.74 4.01 0.32 3.68 0.01 -1.26 -5.09 114.94 119.34 3ica s ASN 24 Ca 0.04 -0.61 -0.28 0.00 -0.71 0.00 0.00 52.86 51.29 3ica s ASN 24 Cb -0.13 -0.59 -0.13 0.00 0.41 0.00 0.00 41.25 40.81 3ica s ASN 24 CO -0.17 0.13 1.21 -3.20 -1.51 0.00 0.00 177.10 173.57 3ica n ASN 25 N 0.34 2.32 0.02 -1.22 2.85 -1.26 -4.89 115.26 113.43 3ica n ASN 25 Ca -0.13 1.20 0.13 0.00 -0.11 0.00 0.00 54.58 55.67 3ica n ASN 25 Cb 0.54 -1.42 0.53 0.00 1.24 0.00 0.00 39.78 40.67 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 0.96 0.17 -4.75 1.20 3.41 -1.26 -4.73 113.62 108.62 3ica n SER 26 Ca 0.06 0.52 -0.41 0.00 -0.26 0.00 0.00 58.87 58.79 3ica n SER 26 Cb 0.35 -0.56 -0.04 0.00 -0.26 0.00 0.00 64.21 63.70 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 -3.32 4.49 0.34 1.04 2.96 -1.26 -1.35 118.68 121.58 3ica s LEU 27 Ca 0.12 2.28 -0.04 0.00 -0.22 0.00 0.00 54.13 56.27 3ica s LEU 27 Cb 0.16 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 43.24 3ica s LEU 27 CO 0.50 -0.28 0.49 0.28 -1.32 0.00 0.00 176.35 176.02 3ica s THR 28 N -0.65 0.00 -0.18 3.68 -1.32 0.14 -4.88 115.64 112.43 3ica s THR 28 Ca 0.49 -1.54 -0.20 0.00 -1.21 0.00 0.00 61.69 59.22 3ica s THR 28 Cb -0.33 -2.62 -0.03 0.00 -1.51 0.00 0.00 72.50 68.01 3ica s THR 28 CO 0.40 0.00 0.60 0.00 -2.21 0.00 0.00 174.62 173.41 3ica s ALA 29 N -3.08 3.52 0.50 11.08 0.00 -1.26 -2.66 121.76 129.86 3ica s ALA 29 Ca 0.29 -0.26 0.17 0.00 0.00 0.00 0.00 51.96 52.16 3ica s ALA 29 Cb -0.01 -2.90 1.23 0.00 0.00 0.00 0.00 23.12 21.44 3ica s ALA 29 CO 0.19 -0.44 2.10 0.78 0.00 0.00 0.00 175.76 178.39 3ica h GLY 30 N 7.87 0.11 1.87 0.00 0.00 -1.87 -2.48 103.07 108.57 3ica h GLY 30 Ca -0.34 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 3ica h GLY 30 CO 0.76 0.03 -0.19 1.48 0.00 0.00 0.00 176.54 178.62 3ica h SER 31 N 0.09 0.15 -0.95 0.19 4.64 -1.93 -1.99 113.55 113.75 3ica h SER 31 Ca 0.09 -0.04 0.22 0.00 -0.47 0.00 0.00 61.79 61.59 3ica h SER 31 Cb 0.23 -0.04 -0.08 0.00 -0.31 0.00 0.00 62.40 62.20 3ica h SER 31 CO -0.01 0.36 0.62 1.88 -0.87 0.00 0.00 176.83 178.81 3ica h TYR 32 N 0.15 0.64 -0.02 4.77 0.99 -1.85 -1.52 116.97 120.12 3ica h TYR 32 Ca 0.03 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.78 3ica h TYR 32 Cb 0.43 -0.19 0.00 0.00 1.00 0.00 0.00 36.73 37.97 3ica h TYR 32 CO 0.00 0.14 -0.11 0.66 -0.00 0.00 0.00 178.16 178.86 3ica n TYR 33 N -4.57 0.00 -1.68 4.88 4.02 -0.75 -4.89 117.16 114.17 3ica n TYR 33 Ca 0.21 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.66 3ica n TYR 33 Cb 0.73 -0.02 -0.04 0.00 -0.02 0.00 0.00 39.34 39.99 3ica n TYR 33 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3ica n GLU 34 N 0.44 2.54 -0.19 -0.72 -0.58 -0.58 -2.54 120.64 119.01 3ica n GLU 34 Ca 0.15 0.93 0.00 0.00 -0.42 0.00 0.00 57.16 57.82 3ica n GLU 34 Cb 0.46 -2.80 0.00 0.00 -0.57 0.00 0.00 31.44 28.52 3ica n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ica n GLY 35 N 4.25 1.80 3.77 0.62 0.00 -1.26 -4.99 105.19 109.37 3ica n GLY 35 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 4.23 -0.09 0.99 1.43 -1.05 -4.95 118.68 119.23 3ica s LEU 36 Ca 0.00 2.57 0.17 0.00 -1.03 0.00 0.00 54.13 55.83 3ica s LEU 36 Cb 0.00 -3.92 -0.23 0.00 0.03 0.00 0.00 46.19 42.07 3ica s LEU 36 CO 0.00 -0.78 0.42 0.29 0.23 0.00 0.00 176.35 176.52 3ica n LYS 37 N 0.17 0.66 -0.16 1.70 5.02 -1.26 -3.81 118.16 120.47 3ica n LYS 37 Ca 0.04 0.10 -0.10 0.00 -2.02 0.00 0.00 58.31 56.33 3ica n LYS 37 Cb 0.44 -1.65 -0.00 0.00 -0.02 0.00 0.00 35.03 33.80 3ica n LYS 37 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3ica h SER 38 N 0.00 0.82 -2.66 4.39 4.64 -1.92 -3.39 113.55 115.44 3ica h SER 38 Ca -0.35 -0.32 -0.59 0.00 -0.47 0.00 0.00 61.79 60.07 3ica h SER 38 Cb 1.93 -0.22 -0.39 0.00 -0.31 0.00 0.00 62.40 63.41 3ica h SER 38 CO 0.04 0.94 -0.87 -1.00 -0.87 0.00 0.00 176.83 175.07 3ica s HIS 39 N -4.98 1.12 0.28 4.77 3.76 -1.26 -5.08 115.29 113.90 3ica s HIS 39 Ca -0.12 -2.03 -0.29 0.00 -0.15 0.00 0.00 55.06 52.46 3ica s HIS 39 Cb 0.11 -1.11 -0.10 0.00 1.11 0.00 0.00 32.58 32.59 3ica s HIS 39 CO 0.82 -0.81 1.22 -2.14 -0.85 0.00 0.00 174.74 172.98 3ica s PRO 40 N 0.54 4.48 0.38 8.40 0.02 -1.25 -4.64 135.00 142.93 3ica s PRO 40 Ca 0.23 2.01 0.22 0.00 0.02 0.00 0.00 61.00 63.48 3ica s PRO 40 Cb -0.14 -3.15 1.30 0.00 0.02 0.00 0.00 34.50 32.53 3ica s PRO 40 CO -0.07 -0.04 1.62 -0.09 -0.33 0.00 0.00 177.00 178.09 3ica h ARG 41 N 3.99 0.11 -2.15 5.54 9.65 -1.76 -3.26 114.38 126.51 3ica h ARG 41 Ca -0.47 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.36 3ica h ARG 41 Cb 1.22 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.76 3ica h ARG 41 CO 0.68 0.08 -0.02 0.39 2.80 0.00 0.00 179.97 183.90 3ica n GLU 42 N -5.04 0.87 -1.14 0.20 4.71 -1.26 -4.90 120.64 114.08 3ica n GLU 42 Ca 0.36 -0.24 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 3ica n GLU 42 Cb 1.24 -1.43 0.00 0.00 -1.01 0.00 0.00 31.44 30.24 3ica n GLU 42 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ica n ALA 44 N 2.08 -1.97 -2.62 0.62 0.00 -1.23 -4.94 120.51 112.44 3ica n ALA 44 Ca 0.10 0.32 -0.42 0.00 0.00 0.00 0.00 53.44 53.44 3ica n ALA 44 Cb 0.41 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 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 -2.62 4.64 0.12 0.00 1.01 -1.26 -4.77 120.40 117.51 3ica s VAL 45 Ca 0.00 1.42 -0.05 0.00 0.00 0.00 0.00 61.98 63.35 3ica s VAL 45 Cb 0.00 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 3ica s VAL 45 CO 0.00 -0.39 0.36 -1.61 0.00 0.00 0.00 175.10 173.46 3ica s GLU 46 N 3.33 3.62 0.00 2.72 2.02 -1.26 -4.42 118.70 124.71 3ica s GLU 46 Ca 0.39 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.30 3ica s GLU 46 Cb -0.13 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.20 3ica s GLU 46 CO 0.15 0.50 0.00 1.28 0.02 0.00 0.00 175.26 177.21 3ica n LEU 47 N 0.29 0.00 0.00 1.80 4.77 0.22 -4.98 117.00 119.09 3ica n LEU 47 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 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 0.47 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.33 3ica n ASN 49 N 0.00 0.00 -4.73 -1.43 5.15 -1.26 -5.03 115.26 107.96 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 1.36 0.24 1.20 0.04 -1.26 -4.95 135.00 131.63 3ica s PRO 50 Ca 0.00 0.80 0.11 0.00 0.04 0.00 0.00 61.00 61.94 3ica s PRO 50 Cb 0.00 -1.82 0.21 0.00 0.04 0.00 0.00 34.50 32.93 3ica s PRO 50 CO 0.00 -2.16 1.52 -0.07 0.04 0.00 0.00 177.00 176.33 3ica h LEU 51 N -1.49 0.00 -8.49 -3.56 3.38 -1.99 -3.44 115.31 99.72 3ica h LEU 51 Ca -0.49 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 56.81 3ica h LEU 51 Cb 1.28 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.73 3ica h LEU 51 CO 0.55 0.70 -0.88 -0.55 0.09 0.00 0.00 178.44 178.35 3ica s SER 52 N -6.75 2.87 0.20 -0.43 0.15 -1.26 -5.02 113.70 103.47 3ica s SER 52 Ca -0.00 -0.46 0.10 0.00 0.70 0.00 0.00 55.95 56.29 3ica s SER 52 Cb 0.11 -0.56 0.01 0.00 -1.71 0.00 0.00 66.02 63.87 3ica s SER 52 CO 0.77 0.26 1.40 1.56 1.20 0.00 0.00 173.24 178.43 3ica h GLN 53 N 5.83 0.00 -0.02 5.44 1.08 -2.01 -3.33 115.11 122.09 3ica h GLN 53 Ca -0.37 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 56.79 3ica h GLN 53 Cb 1.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 3ica h GLN 53 CO 0.47 0.78 -0.15 0.93 -0.95 0.00 0.00 178.83 179.92 3ica h GLU 54 N 0.00 0.13 -3.51 1.46 5.08 -1.97 -3.39 114.58 112.38 3ica h GLU 54 Ca -0.01 -0.12 -0.77 0.00 -1.00 0.00 0.00 59.36 57.46 3ica h GLU 54 Cb 1.51 0.03 -0.20 0.00 0.50 0.00 0.00 28.75 30.59 3ica h GLU 54 CO 0.10 0.81 1.52 1.28 -1.00 0.00 0.00 179.01 181.71 3ica n LEU 55 N -4.61 6.34 -0.21 1.33 4.77 -1.25 -2.88 117.00 120.49 3ica n LEU 55 Ca -0.09 -4.80 0.00 0.00 -0.03 0.00 0.00 56.01 51.10 3ica n LEU 55 Cb 0.42 -1.44 0.01 0.00 -2.33 0.00 0.00 43.42 40.08 3ica n LEU 55 CO 0.37 1.38 0.28 -0.46 -1.33 0.00 0.00 177.39 177.63 3ica n ASN 56 N 3.34 0.22 0.00 -1.43 6.94 -1.14 -4.64 115.26 118.55 3ica n ASN 56 Ca 0.35 -1.56 0.00 0.00 -0.02 0.00 0.00 54.58 53.35 3ica n ASN 56 Cb 0.36 -0.10 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 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 4.91 2.06 -0.01 0.00 1.70 -0.45 -0.68 118.95 126.47 3ica s ARG 59 Ca 0.00 -1.00 0.13 0.00 -0.47 0.00 0.00 55.73 54.39 3ica s ARG 59 Cb 0.00 -2.21 -0.19 0.00 -0.57 0.00 0.00 34.95 31.98 3ica s ARG 59 CO 0.00 0.53 0.39 1.04 -1.08 0.00 0.00 175.30 176.18 3ica n GLN 60 N 1.30 1.19 -3.98 3.89 6.02 -1.26 -1.09 117.38 123.46 3ica n GLN 60 Ca -0.16 -0.08 -0.09 0.00 -0.01 0.00 0.00 57.00 56.67 3ica n GLN 60 Cb 0.52 -1.25 -0.10 0.00 1.02 0.00 0.00 30.24 30.43 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 -2.70 0.15 -0.81 5.09 -1.32 -1.26 -4.65 115.64 110.14 3ica s THR 61 Ca -0.02 -1.24 0.25 0.00 -1.21 0.00 0.00 61.69 59.47 3ica s THR 61 Cb 0.09 -0.92 0.24 0.00 -1.51 0.00 0.00 72.50 70.40 3ica s THR 61 CO 0.55 -0.68 1.76 0.18 -2.21 0.00 0.00 174.62 174.22 3ica n LEU 62 N 0.77 0.40 0.03 9.08 4.77 -1.26 -4.46 117.00 126.33 3ica n LEU 62 Ca -0.19 0.56 -0.14 0.00 -0.03 0.00 0.00 56.01 56.21 3ica n LEU 62 Cb 0.58 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 3ica n LEU 62 CO 0.24 -0.21 0.56 0.25 -1.33 0.00 0.00 177.39 176.90 3ica h LEU 63 N 0.00 -1.41 -0.85 2.23 5.85 -1.97 -3.15 115.31 116.02 3ica h LEU 63 Ca 0.00 0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 3ica h LEU 63 Cb 0.51 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 3ica h LEU 63 CO 0.00 -0.46 0.20 -0.26 -0.34 0.00 0.00 178.44 177.57 3ica h PHE 64 N -0.56 1.08 -0.74 1.25 0.04 -2.00 -0.73 116.94 115.29 3ica h PHE 64 Ca 0.05 -0.11 0.13 0.00 2.80 0.00 0.00 57.97 60.85 3ica h PHE 64 Cb 0.66 -0.31 -0.09 0.00 2.20 0.00 0.00 35.95 38.41 3ica h PHE 64 CO -0.48 0.87 0.29 0.78 -0.60 0.00 0.00 178.31 179.17 3ica h GLY 65 N 1.07 1.10 0.97 -1.45 0.00 -1.86 -0.08 103.07 102.83 3ica h GLY 65 Ca 0.22 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.41 3ica h GLY 65 CO -0.01 -0.08 0.37 -1.33 0.00 0.00 0.00 176.54 175.50 3ica h GLY 66 N 0.45 0.81 1.01 4.60 0.00 -1.14 -1.56 103.07 107.25 3ica h GLY 66 Ca 0.40 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3ica h GLY 66 CO -0.39 0.28 0.61 1.41 0.00 0.00 0.00 176.54 178.45 3ica h LEU 67 N 0.76 1.10 -0.55 3.11 3.38 -0.38 0.17 115.31 122.89 3ica h LEU 67 Ca 0.22 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3ica h LEU 67 Cb -0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 3ica h LEU 67 CO -0.06 0.81 0.26 -0.33 0.09 0.00 0.00 178.44 179.21 3ica h GLU 68 N 1.28 0.80 -0.30 1.13 5.08 -0.86 0.53 114.58 122.24 3ica h GLU 68 Ca 0.34 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.45 3ica h GLU 68 Cb -0.12 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 3ica h GLU 68 CO -0.07 0.66 -0.33 1.15 -1.00 0.00 0.00 179.01 179.42 3ica h THR 69 N 0.74 1.28 0.22 1.13 2.02 -0.74 -1.38 112.91 116.19 3ica h THR 69 Ca 0.19 -1.47 -0.01 0.00 0.77 0.00 0.00 66.41 65.89 3ica h THR 69 Cb 0.13 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 3ica h THR 69 CO -0.02 0.47 -0.11 -0.07 0.37 0.00 0.00 175.52 176.17 3ica h LEU 70 N 0.56 -0.25 -0.48 2.58 3.38 -0.45 -1.45 115.31 119.20 3ica h LEU 70 Ca 0.06 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 57.90 3ica h LEU 70 Cb 0.84 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.55 3ica h LEU 70 CO 0.07 0.11 -0.34 -1.28 0.09 0.00 0.00 178.44 177.08 3ica h SER 71 N -0.64 -1.16 -0.47 -0.43 0.87 0.17 0.15 113.55 112.04 3ica h SER 71 Ca -0.03 0.21 0.08 0.00 -1.23 0.00 0.00 61.79 60.82 3ica h SER 71 Cb 0.46 0.55 -0.07 0.00 -0.44 0.00 0.00 62.40 62.90 3ica h SER 71 CO 0.05 -0.32 0.05 -0.74 -0.53 0.00 0.00 176.83 175.34 3ica h HIS 72 N -0.22 0.07 0.00 2.24 -0.00 -1.28 -1.13 115.15 114.82 3ica h HIS 72 Ca 0.19 0.03 -0.20 0.00 -0.00 0.00 0.00 60.37 60.40 3ica h HIS 72 Cb 0.55 0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.97 3ica h HIS 72 CO -0.59 -0.05 -0.99 -0.91 -0.00 0.00 0.00 177.93 175.39 3ica h ASN 73 N 0.18 0.00 -0.79 3.26 2.35 -0.33 -2.97 115.58 117.27 3ica h ASN 73 Ca 0.23 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.95 3ica h ASN 73 Cb 0.33 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 3ica h ASN 73 CO -0.34 0.89 0.37 -0.07 -1.65 0.00 0.00 177.43 176.63 3ica h LEU 74 N 0.00 1.04 -1.82 1.61 3.38 -0.57 -1.51 115.31 117.45 3ica h LEU 74 Ca -0.04 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.83 3ica h LEU 74 Cb 1.71 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 3ica h LEU 74 CO 0.11 0.88 0.20 0.03 0.09 0.00 0.00 178.44 179.75 3ica h ARG 75 N 1.12 0.23 -0.61 1.13 3.08 -1.14 -2.01 114.38 116.18 3ica h ARG 75 Ca 0.27 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3ica h ARG 75 Cb 0.13 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3ica h ARG 75 CO -0.03 0.15 0.00 0.54 -1.07 0.00 0.00 179.97 179.56 3ica n ARG 76 N -4.49 2.65 -1.36 0.04 1.74 -1.00 -4.92 116.66 109.31 3ica n ARG 76 Ca 0.03 -1.66 -0.09 0.00 -0.77 0.00 0.00 57.85 55.35 3ica n ARG 76 Cb 0.19 -1.66 -0.04 0.00 -1.02 0.00 0.00 32.46 29.94 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 0.53 -0.64 -1.87 5.56 4.76 -0.75 -4.99 118.16 120.74 3ica n LYS 77 Ca 0.15 0.78 -0.42 0.00 -2.87 0.00 0.00 58.31 55.95 3ica n LYS 77 Cb 0.59 -4.68 -0.03 0.00 -1.84 0.00 0.00 35.03 29.07 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 -2.35 2.39 -0.14 2.13 3.76 -0.60 -4.88 115.29 115.61 3ica s HIS 78 Ca 0.00 0.25 0.16 0.00 -0.15 0.00 0.00 55.06 55.32 3ica s HIS 78 Cb 0.00 -4.02 -0.02 0.00 1.11 0.00 0.00 32.58 29.65 3ica s HIS 78 CO 0.00 -4.09 1.20 -0.07 -0.85 0.00 0.00 174.74 170.93 3ica h LEU 79 N 8.47 0.00 -6.81 0.89 3.38 -1.94 -3.42 115.31 115.88 3ica h LEU 79 Ca -0.43 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.14 3ica h LEU 79 Cb 1.21 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.58 3ica h LEU 79 CO 0.93 0.53 -0.68 -0.55 0.09 0.00 0.00 178.44 178.76 3ica s SER 80 N -6.19 2.03 -0.29 -0.43 0.15 -1.26 -1.74 113.70 105.96 3ica s SER 80 Ca 0.01 -0.58 -0.04 0.00 0.70 0.00 0.00 55.95 56.05 3ica s SER 80 Cb 0.08 0.12 0.03 0.00 -1.71 0.00 0.00 66.02 64.54 3ica s SER 80 CO 0.77 -0.36 0.02 -0.76 1.20 0.00 0.00 173.24 174.11 3ica s LEU 81 N 2.25 3.78 -0.34 3.45 1.43 -0.21 -4.95 118.68 124.08 3ica s LEU 81 Ca 0.06 -1.03 -0.01 0.00 -1.03 0.00 0.00 54.13 52.12 3ica s LEU 81 Cb -0.16 -1.76 0.08 0.00 0.03 0.00 0.00 46.19 44.38 3ica s LEU 81 CO -0.18 -0.23 0.08 -0.31 0.23 0.00 0.00 176.35 175.94 3ica s TYR 82 N 1.35 3.44 0.15 0.29 1.51 -1.26 -1.10 117.35 121.73 3ica s TYR 82 Ca -0.02 -2.20 0.10 0.00 -1.01 0.00 0.00 57.07 53.94 3ica s TYR 82 Cb -0.18 -2.59 -0.04 0.00 -0.11 0.00 0.00 41.96 39.03 3ica s TYR 82 CO -0.01 -0.88 -0.22 -0.51 -1.11 0.00 0.00 175.55 172.82 3ica s LEU 83 N 1.17 2.38 0.04 -1.29 1.43 0.61 0.07 118.68 123.09 3ica s LEU 83 Ca 0.01 -0.80 -0.09 0.00 -1.03 0.00 0.00 54.13 52.22 3ica s LEU 83 Cb -0.21 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 44.99 3ica s LEU 83 CO -0.03 0.08 0.19 0.72 0.23 0.00 0.00 176.35 177.54 3ica s PHE 84 N -1.55 0.07 -0.13 0.29 -0.12 -0.64 -0.61 117.98 115.30 3ica s PHE 84 Ca 0.15 -0.31 -0.10 0.00 -0.05 0.00 0.00 56.93 56.62 3ica s PHE 84 Cb -0.08 -0.04 0.04 0.00 -0.63 0.00 0.00 43.02 42.31 3ica s PHE 84 CO 0.07 -0.44 0.33 -2.00 -0.05 0.00 0.00 175.22 173.14 3ica s GLU 85 N -2.69 0.35 -0.16 1.99 2.12 -0.60 -0.73 118.70 118.99 3ica s GLU 85 Ca -0.04 0.55 -0.06 0.00 0.36 0.00 0.00 54.97 55.78 3ica s GLU 85 Cb -0.00 0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.42 3ica s GLU 85 CO -0.05 -0.10 0.05 -1.58 -0.54 0.00 0.00 175.26 173.04 3ica s TRP 86 N 0.68 3.23 -0.10 5.30 0.52 -1.26 -0.52 118.94 126.80 3ica s TRP 86 Ca -0.04 0.06 -0.32 0.00 0.02 0.00 0.00 56.10 55.82 3ica s TRP 86 Cb -0.05 -2.02 0.12 0.00 -1.15 0.00 0.00 33.47 30.37 3ica s TRP 86 CO -0.04 0.20 1.13 0.20 0.02 0.00 0.00 176.95 178.45 3ica s GLY 87 N 0.13 -0.35 0.19 0.98 0.00 -0.74 -4.97 107.32 102.56 3ica s GLY 87 Ca 0.04 1.22 -0.07 0.00 0.00 0.00 0.00 44.72 45.91 3ica s GLY 87 CO 0.01 0.39 0.46 1.25 0.00 0.00 0.00 173.10 175.21 3ica s LYS 88 N -2.65 3.69 0.19 2.90 2.20 -1.26 -0.93 119.74 123.87 3ica s LYS 88 Ca 0.09 0.06 0.07 0.00 -0.36 0.00 0.00 55.97 55.83 3ica s LYS 88 Cb -0.00 -2.75 -0.05 0.00 -1.51 0.00 0.00 37.83 33.52 3ica s LYS 88 CO -0.05 0.38 -0.13 0.00 -0.36 0.00 0.00 175.35 175.19 3ica s TYR 90 N -3.09 -0.08 0.14 0.00 1.51 -0.25 -1.07 117.35 114.51 3ica s TYR 90 Ca 0.21 0.21 -0.18 0.00 -1.01 0.00 0.00 57.07 56.29 3ica s TYR 90 Cb 0.00 0.02 0.05 0.00 -0.11 0.00 0.00 41.96 41.92 3ica s TYR 90 CO 0.05 -0.09 0.47 -0.98 -1.11 0.00 0.00 175.55 173.89 3ica s ARG 91 N -0.17 1.15 0.10 -0.62 1.70 -0.40 -4.05 118.95 116.67 3ica s ARG 91 Ca -0.02 -0.64 -0.11 0.00 -0.47 0.00 0.00 55.73 54.49 3ica s ARG 91 Cb -0.02 0.51 -0.06 0.00 -0.57 0.00 0.00 34.95 34.81 3ica s ARG 91 CO 0.00 -0.47 0.44 -0.06 -1.08 0.00 0.00 175.30 174.13 3ica s PHE 92 N -3.79 3.57 -0.11 5.89 0.08 -1.26 -0.26 117.98 122.10 3ica s PHE 92 Ca 0.03 0.84 -0.13 0.00 0.12 0.00 0.00 56.93 57.78 3ica s PHE 92 Cb 0.01 -2.20 -0.05 0.00 -0.57 0.00 0.00 43.02 40.21 3ica s PHE 92 CO -0.12 0.48 0.32 -1.01 -0.10 0.00 0.00 175.22 174.79 3ica s HIS 93 N -1.45 3.55 0.41 0.36 3.76 -0.18 -4.87 115.29 116.87 3ica s HIS 93 Ca 0.35 0.71 -0.27 0.00 -0.15 0.00 0.00 55.06 55.71 3ica s HIS 93 Cb -0.14 -2.29 -0.10 0.00 1.11 0.00 0.00 32.58 31.16 3ica s HIS 93 CO 0.19 0.40 1.43 0.00 -0.85 0.00 0.00 174.74 175.91 3ica n ALA 94 N 2.92 2.06 -2.14 -1.40 0.00 -1.26 -0.05 120.51 120.64 3ica n ALA 94 Ca -0.13 0.30 -0.41 0.00 0.00 0.00 0.00 53.44 53.19 3ica n ALA 94 Cb 0.52 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 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 -1.15 3.44 0.15 0.00 0.00 0.05 -4.44 121.76 119.80 3ica s ALA 95 Ca 0.57 0.94 -0.10 0.00 0.00 0.00 0.00 51.96 53.37 3ica s ALA 95 Cb -0.47 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.20 3ica s ALA 95 CO 0.61 -0.40 1.51 0.87 0.00 0.00 0.00 175.76 178.34 3ica h LYS 96 N 5.68 0.95 -6.20 0.00 1.57 -1.93 -3.46 116.57 113.19 3ica h LYS 96 Ca -0.44 -0.47 -0.51 0.00 -1.87 0.00 0.00 60.65 57.36 3ica h LYS 96 Cb 1.21 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.47 3ica h LYS 96 CO 0.77 1.13 -0.54 -0.98 -0.57 0.00 0.00 179.45 179.26 3ica s ARG 97 N -4.49 2.88 -0.37 3.15 1.70 -1.26 -5.03 118.95 115.53 3ica s ARG 97 Ca -0.11 -1.07 0.07 0.00 -0.47 0.00 0.00 55.73 54.15 3ica s ARG 97 Cb 0.12 -2.54 0.70 0.00 -0.57 0.00 0.00 34.95 32.66 3ica s ARG 97 CO 0.88 0.40 1.84 0.25 -1.08 0.00 0.00 175.30 177.59 3ica n THR 98 N -1.11 3.01 0.05 4.99 -2.24 -1.26 -4.49 114.28 113.23 3ica n THR 98 Ca -0.08 -1.71 0.04 0.00 -2.27 0.00 0.00 64.05 60.04 3ica n THR 98 Cb 0.58 -0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 68.33 3ica n THR 98 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3ica n ASP 99 N -0.55 0.82 0.00 3.42 8.00 -1.26 -4.89 116.55 122.08 3ica n ASP 99 Ca 0.48 0.35 0.00 0.00 0.71 0.00 0.00 54.79 56.33 3ica n ASP 99 Cb 1.50 0.32 0.00 0.00 -0.02 0.00 0.00 41.12 42.92 3ica n ASP 99 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ica n GLU 100 N -2.80 0.00 -4.07 -1.24 1.02 -1.26 -5.15 120.64 107.14 3ica n GLU 100 Ca -0.07 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.84 3ica n GLU 100 Cb 0.74 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 32.12 3ica n GLU 100 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3ica s THR 101 N 1.82 4.69 0.41 2.62 2.01 -1.26 -5.03 115.64 120.90 3ica s THR 101 Ca 0.00 -1.18 0.10 0.00 0.31 0.00 0.00 61.69 60.92 3ica s THR 101 Cb 0.00 -3.49 0.30 0.00 0.01 0.00 0.00 72.50 69.32 3ica s THR 101 CO 0.00 -0.26 2.01 -0.65 -0.69 0.00 0.00 174.62 175.02 3ica h PRO 102 N 1.72 0.51 -5.23 4.92 0.11 -1.94 -3.42 132.00 128.66 3ica h PRO 102 Ca -0.49 -0.03 -0.62 0.00 0.11 0.00 0.00 66.00 64.97 3ica h PRO 102 Cb 1.22 -0.11 -0.18 0.00 0.11 0.00 0.00 31.00 32.04 3ica h PRO 102 CO 0.62 0.33 -0.59 -0.51 -0.21 0.00 0.00 178.00 177.65 3ica s LEU 103 N -9.46 3.67 0.00 2.35 1.02 -1.26 -0.77 118.68 114.23 3ica s LEU 103 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 54.13 54.07 3ica s LEU 103 Cb 0.19 -1.93 0.00 0.00 0.02 0.00 0.00 46.19 44.47 3ica s LEU 103 CO 0.75 0.14 0.00 0.00 0.02 0.00 0.00 176.35 177.25 3ica n ALA 104 N 3.76 0.00 -1.60 4.21 0.00 0.92 -4.69 120.51 123.11 3ica n ALA 104 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 3ica n ALA 104 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 3ica n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ica n ALA 105 N -3.00 0.09 -2.18 0.00 0.00 -1.25 -4.60 120.51 109.57 3ica n ALA 105 Ca 0.00 0.23 -0.38 0.00 0.00 0.00 0.00 53.44 53.30 3ica n ALA 105 Cb 0.00 -2.07 -0.06 0.00 0.00 0.00 0.00 19.45 17.32 3ica n ALA 105 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3ica s TYR 106 N -1.27 3.77 -0.00 0.00 5.04 -1.26 -1.01 117.35 122.61 3ica s TYR 106 Ca 0.63 1.35 -0.02 0.00 -2.44 0.00 0.00 57.07 56.59 3ica s TYR 106 Cb -0.57 -2.57 -0.00 0.00 0.35 0.00 0.00 41.96 39.18 3ica s TYR 106 CO 0.57 0.50 0.04 0.00 -1.34 0.00 0.00 175.55 175.32 3ica s ALA 107 N -1.25 -0.08 0.06 3.97 0.00 0.64 -4.96 121.76 120.15 3ica s ALA 107 Ca 0.35 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.22 3ica s ALA 107 Cb -0.19 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 3ica s ALA 107 CO 0.21 -0.09 -0.09 -1.83 0.00 0.00 0.00 175.76 173.96 3ica s GLU 108 N -0.59 0.67 -0.04 0.00 -1.05 -1.26 -1.27 118.70 115.16 3ica s GLU 108 Ca -0.07 -0.92 -0.19 0.00 -0.15 0.00 0.00 54.97 53.65 3ica s GLU 108 Cb -0.04 -0.43 0.04 0.00 -0.44 0.00 0.00 34.13 33.26 3ica s GLU 108 CO -0.00 0.08 0.42 0.16 0.95 0.00 0.00 175.26 176.86 3ica s ASP 109 N -1.89 -0.34 0.03 0.83 3.84 -0.24 -4.96 116.67 113.95 3ica s ASP 109 Ca -0.04 0.34 -0.25 0.00 -0.00 0.00 0.00 52.55 52.60 3ica s ASP 109 Cb -0.07 0.44 -0.05 0.00 -1.38 0.00 0.00 42.92 41.85 3ica s ASP 109 CO 0.00 -0.46 0.78 -1.81 -0.00 0.00 0.00 175.17 173.68 3ica s ASP 110 N -1.12 7.21 0.10 2.11 1.01 -1.26 -0.97 116.67 123.74 3ica s ASP 110 Ca -0.11 1.44 0.06 0.00 0.71 0.00 0.00 52.55 54.65 3ica s ASP 110 Cb -0.04 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 3ica s ASP 110 CO 0.05 -0.01 -0.14 -0.13 0.21 0.00 0.00 175.17 175.15 3ica s ARG 111 N 0.08 0.92 -0.20 8.23 0.52 -0.11 -1.59 118.95 126.80 3ica s ARG 111 Ca 0.39 -1.10 -0.04 0.00 -0.52 0.00 0.00 55.73 54.47 3ica s ARG 111 Cb -0.20 -0.88 -0.02 0.00 0.52 0.00 0.00 34.95 34.37 3ica s ARG 111 CO 0.23 0.18 -0.04 -1.17 0.02 0.00 0.00 175.30 174.52 3ica s LEU 112 N -2.09 3.00 -0.05 2.53 2.96 -0.26 -1.79 118.68 122.98 3ica s LEU 112 Ca 0.03 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 3ica s LEU 112 Cb -0.07 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 3ica s LEU 112 CO 0.03 0.04 -0.03 -0.83 -1.32 0.00 0.00 176.35 174.24 3ica s GLY 113 N 1.14 1.80 -0.03 7.98 0.00 0.32 -0.26 107.32 118.28 3ica s GLY 113 Ca 0.02 -0.89 -0.00 0.00 0.00 0.00 0.00 44.72 43.85 3ica s GLY 113 CO -0.00 -0.69 0.03 -0.42 0.00 0.00 0.00 173.10 172.02 3ica s ILE 114 N -0.92 -0.04 -0.04 0.90 1.01 0.12 -1.55 121.20 120.68 3ica s ILE 114 Ca 0.15 0.24 0.03 0.00 0.00 0.00 0.00 60.65 61.07 3ica s ILE 114 Cb -0.11 -0.12 0.00 0.00 0.01 0.00 0.00 42.46 42.24 3ica s ILE 114 CO 0.04 0.11 -0.13 0.26 0.00 0.00 0.00 174.94 175.23 3ica s TRP 115 N 1.28 1.37 -0.05 3.97 0.51 0.22 -0.79 118.94 125.46 3ica s TRP 115 Ca -0.06 -0.40 0.03 0.00 -2.12 0.00 0.00 56.10 53.54 3ica s TRP 115 Cb -0.13 -0.96 0.01 0.00 -0.81 0.00 0.00 33.47 31.58 3ica s TRP 115 CO -0.03 -0.16 -0.11 0.42 -0.51 0.00 0.00 176.95 176.56 3ica s ILE 116 N 0.22 1.00 -0.22 2.03 1.01 -0.48 -0.29 121.20 124.47 3ica s ILE 116 Ca -0.06 -0.44 -0.21 0.00 0.00 0.00 0.00 60.65 59.95 3ica s ILE 116 Cb -0.11 -0.90 0.06 0.00 0.01 0.00 0.00 42.46 41.51 3ica s ILE 116 CO 0.02 0.31 0.60 0.00 0.00 0.00 0.00 174.94 175.87 3ica n GLY 118 N 2.78 0.78 3.85 0.00 0.00 -1.26 -1.05 105.19 110.29 3ica n GLY 118 Ca -0.14 -1.23 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 3ica n GLY 118 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ica s GLN 119 N 0.00 3.91 0.17 1.61 -1.52 -0.71 -0.31 119.66 122.80 3ica s GLN 119 Ca 0.00 0.39 -0.30 0.00 -1.95 0.00 0.00 55.36 53.49 3ica s GLN 119 Cb 0.00 -3.04 -0.08 0.00 -0.22 0.00 0.00 33.01 29.67 3ica s GLN 119 CO 0.00 0.57 1.23 0.50 -0.25 0.00 0.00 175.29 177.33 3ica s ARG 120 N -1.68 4.46 0.04 2.91 3.52 -0.36 -4.53 118.95 123.30 3ica s ARG 120 Ca 0.32 1.90 -0.26 0.00 -0.13 0.00 0.00 55.73 57.56 3ica s ARG 120 Cb -0.15 -3.25 -0.05 0.00 -1.56 0.00 0.00 34.95 29.94 3ica s ARG 120 CO 0.17 -0.16 0.82 0.54 -0.81 0.00 0.00 175.30 175.86 3ica s VAL 121 N 0.19 4.75 0.00 7.11 0.11 -1.26 -4.96 120.40 126.34 3ica s VAL 121 Ca 0.55 1.73 0.00 0.00 -2.93 0.00 0.00 61.98 61.33 3ica s VAL 121 Cb -0.33 -4.16 0.00 0.00 -1.53 0.00 0.00 36.38 30.35 3ica s VAL 121 CO 0.35 0.32 0.00 1.41 -3.33 0.00 0.00 175.10 173.85 3ica n HIS 122 N 3.06 0.00 -0.07 1.54 -0.00 -1.26 -5.16 115.22 113.33 3ica n HIS 122 Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.57 3ica n HIS 122 Cb 0.50 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.44 3ica n HIS 122 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 3ica n PRO 128 N 0.00 0.31 -0.04 -0.41 -0.02 -1.26 -5.21 135.00 128.37 3ica n PRO 128 Ca 0.00 0.13 0.12 0.00 -2.02 0.00 0.00 63.50 61.73 3ica n PRO 128 Cb 0.00 -1.06 0.47 0.00 -0.02 0.00 0.00 33.50 32.89 3ica n PRO 128 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3ica n GLU 129 N -3.52 1.67 -1.57 -0.52 0.28 -1.26 -5.00 120.64 110.72 3ica n GLU 129 Ca -0.28 -0.99 -0.44 0.00 -0.16 0.00 0.00 57.16 55.30 3ica n GLU 129 Cb 0.71 -1.44 -0.04 0.00 1.43 0.00 0.00 31.44 32.10 3ica n GLU 129 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3ica n GLU 130 N 0.20 1.74 -1.45 3.44 4.07 -1.26 -4.97 120.64 122.40 3ica n GLU 130 Ca 0.18 0.45 -0.31 0.00 -0.06 0.00 0.00 57.16 57.41 3ica n GLU 130 Cb 0.33 -3.14 0.07 0.00 -0.06 0.00 0.00 31.44 28.64 3ica n GLU 130 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3ica s PRO 131 N 6.54 2.58 0.85 5.31 0.04 -1.26 -1.22 135.00 147.83 3ica s PRO 131 Ca 1.02 1.00 -0.12 0.00 0.04 0.00 0.00 61.00 62.94 3ica s PRO 131 Cb -0.40 -1.95 0.10 0.00 0.04 0.00 0.00 34.50 32.29 3ica s PRO 131 CO 0.36 -1.36 1.10 0.95 0.04 0.00 0.00 177.00 178.09 3ica s THR 132 N -3.00 2.77 0.14 1.26 -4.23 0.58 -4.47 115.64 108.69 3ica s THR 132 Ca 0.59 0.25 -0.07 0.00 -1.18 0.00 0.00 61.69 61.29 3ica s THR 132 Cb -0.15 -2.93 -0.02 0.00 1.34 0.00 0.00 72.50 70.75 3ica s THR 132 CO 0.55 -0.33 0.21 -0.94 -0.54 0.00 0.00 174.62 173.57 3ica s SER 133 N -3.79 0.13 0.61 3.99 1.04 -1.26 -4.96 113.70 109.46 3ica s SER 133 Ca 0.62 -0.92 0.35 0.00 0.48 0.00 0.00 55.95 56.48 3ica s SER 133 Cb -0.15 0.38 2.02 0.00 0.10 0.00 0.00 66.02 68.36 3ica s SER 133 CO 0.55 -0.82 2.29 1.62 0.98 0.00 0.00 173.24 177.86 3ica h VAL 134 N 2.67 0.34 -0.26 5.02 3.04 -1.97 -2.10 116.25 122.99 3ica h VAL 134 Ca -0.33 -0.03 -0.09 0.00 -1.01 0.00 0.00 66.70 65.24 3ica h VAL 134 Cb 1.21 1.02 -0.01 0.00 -2.01 0.00 0.00 31.29 31.50 3ica h VAL 134 CO 0.53 0.01 -0.21 -0.26 -1.01 0.00 0.00 177.57 176.62 3ica h PHE 135 N 0.00 0.53 -0.74 3.17 0.04 -1.99 -0.17 116.94 117.79 3ica h PHE 135 Ca -0.00 -0.10 -0.04 0.00 2.80 0.00 0.00 57.97 60.63 3ica h PHE 135 Cb 0.02 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.01 3ica h PHE 135 CO 0.00 0.66 0.30 0.93 -0.60 0.00 0.00 178.31 179.61 3ica h GLU 136 N 0.43 1.10 -0.32 1.51 5.08 -1.80 -2.00 114.58 118.59 3ica h GLU 136 Ca 0.07 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 3ica h GLU 136 Cb 0.61 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3ica h GLU 136 CO 0.04 0.90 0.08 1.25 -1.00 0.00 0.00 179.01 180.28 3ica h LEU 137 N 1.06 0.48 -0.61 1.33 5.85 -1.47 -2.10 115.31 119.85 3ica h LEU 137 Ca 0.25 -0.23 0.10 0.00 0.84 0.00 0.00 57.88 58.84 3ica h LEU 137 Cb 0.20 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 3ica h LEU 137 CO -0.02 0.58 0.22 0.50 -0.34 0.00 0.00 178.44 179.38 3ica h LYS 138 N 0.35 0.39 -0.62 1.25 3.64 -0.96 0.13 116.57 120.75 3ica h LYS 138 Ca 0.10 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3ica h LYS 138 Cb 0.28 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 3ica h LYS 138 CO 0.00 0.26 0.32 0.00 -2.27 0.00 0.00 179.45 177.76 3ica h ALA 139 N 1.42 0.80 -0.30 5.00 0.00 -1.16 0.33 119.26 125.35 3ica h ALA 139 Ca 0.31 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 3ica h ALA 139 Cb 0.39 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ica h ALA 139 CO -0.31 0.34 -0.47 -0.39 0.00 0.00 0.00 179.25 178.41 3ica h VAL 140 N 0.85 1.28 -0.00 0.00 -1.51 -0.95 -2.07 116.25 113.85 3ica h VAL 140 Ca 0.22 -1.66 0.02 0.00 -1.23 0.00 0.00 66.70 64.05 3ica h VAL 140 Cb 0.08 1.55 -0.03 0.00 -2.13 0.00 0.00 31.29 30.76 3ica h VAL 140 CO -0.03 0.54 -0.14 0.58 -1.23 0.00 0.00 177.57 177.29 3ica h VAL 141 N 0.64 0.66 -0.97 7.19 2.07 -0.31 -0.89 116.25 124.64 3ica h VAL 141 Ca 0.03 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.67 3ica h VAL 141 Cb 1.06 0.66 -0.08 0.00 -1.52 0.00 0.00 31.29 31.40 3ica h VAL 141 CO 0.10 0.00 0.60 -0.08 0.02 0.00 0.00 177.57 178.21 3ica h GLU 142 N -0.23 0.92 0.00 1.57 4.81 -0.93 -1.48 114.58 119.24 3ica h GLU 142 Ca 0.05 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 3ica h GLU 142 Cb 0.29 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3ica h GLU 142 CO -0.14 0.61 -0.43 1.96 -0.73 0.00 0.00 179.01 180.28 3ica h GLN 143 N 0.94 0.00 -0.18 1.92 4.20 -0.80 -0.33 115.11 120.87 3ica h GLN 143 Ca 0.48 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.10 3ica h GLN 143 Cb 0.48 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 3ica h GLN 143 CO -0.27 0.43 -0.24 0.28 -0.67 0.00 0.00 178.83 178.36 3ica h VAL 144 N 0.00 1.34 -0.96 -0.54 2.07 -0.23 -1.15 116.25 116.79 3ica h VAL 144 Ca -0.00 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.07 3ica h VAL 144 Cb 0.93 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 32.52 3ica h VAL 144 CO 0.06 0.44 0.59 -0.07 0.02 0.00 0.00 177.57 178.60 3ica h LEU 145 N 0.12 1.14 -0.41 2.57 3.38 -1.09 -2.40 115.31 118.62 3ica h LEU 145 Ca 0.02 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3ica h LEU 145 Cb 0.80 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3ica h LEU 145 CO 0.06 0.86 0.14 0.00 0.09 0.00 0.00 178.44 179.59 3ica h ARG 147 N 0.51 0.00 -0.55 0.00 9.65 -0.69 -0.29 114.38 123.02 3ica h ARG 147 Ca 0.13 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.85 3ica h ARG 147 Cb 0.24 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 28.72 3ica h ARG 147 CO -0.01 0.00 0.14 1.33 2.80 0.00 0.00 179.97 184.24 3ica n VAL 148 N -3.33 2.71 -2.25 0.20 0.24 -1.05 -4.96 118.33 109.90 3ica n VAL 148 Ca -0.02 -1.92 -0.11 0.00 -2.04 0.00 0.00 64.34 60.25 3ica n VAL 148 Cb 0.20 -0.33 -0.00 0.00 -1.47 0.00 0.00 33.84 32.24 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 -0.46 -0.05 3.32 7.63 0.00 -0.12 -5.02 105.19 110.49 3ica n GLY 149 Ca 0.35 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.56 3.99 0.44 -0.61 1.01 -0.02 -5.00 121.20 118.44 3ica s ILE 150 Ca 0.02 -0.92 -0.10 0.00 0.00 0.00 0.00 60.65 59.65 3ica s ILE 150 Cb -0.01 -3.18 -0.06 0.00 0.01 0.00 0.00 42.46 39.22 3ica s ILE 150 CO 0.02 -0.09 0.80 -1.61 0.00 0.00 0.00 174.94 174.05 3ica s GLU 151 N 1.47 3.74 0.57 2.79 2.02 -1.26 -3.11 118.70 124.90 3ica s GLU 151 Ca 0.01 0.46 0.27 0.00 0.02 0.00 0.00 54.97 55.72 3ica s GLU 151 Cb -0.19 -2.36 1.52 0.00 0.10 0.00 0.00 34.13 33.20 3ica s GLU 151 CO 0.03 -0.11 2.03 1.79 0.02 0.00 0.00 175.26 179.03 3ica h THR 152 N 0.85 0.57 0.00 3.63 1.35 -1.94 0.20 112.91 117.57 3ica h THR 152 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3ica h THR 152 Cb 1.19 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 3ica h THR 152 CO 0.63 0.00 0.00 1.23 -0.25 0.00 0.00 175.52 177.13 3ica h GLY 153 N 0.00 0.00 1.85 5.82 0.00 -2.04 -3.25 103.07 105.45 3ica h GLY 153 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3ica h GLY 153 CO -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 176.45 3ica n ALA 154 N -1.81 2.50 -2.78 3.60 0.00 0.71 -4.86 120.51 117.87 3ica n ALA 154 Ca 0.04 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.26 3ica n ALA 154 Cb 0.35 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.32 3ica n ALA 154 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3ica s TYR 155 N -3.02 0.11 0.23 0.00 1.13 -1.23 0.17 117.35 114.75 3ica s TYR 155 Ca 0.13 -0.49 0.08 0.00 -1.41 0.00 0.00 57.07 55.38 3ica s TYR 155 Cb 0.18 0.06 -0.05 0.00 -1.10 0.00 0.00 41.96 41.05 3ica s TYR 155 CO 0.57 -0.67 -0.14 0.95 -2.51 0.00 0.00 175.55 173.76 3ica s THR 156 N -3.88 1.81 -0.22 -3.49 -4.23 0.21 -4.89 115.64 100.95 3ica s THR 156 Ca 0.08 -2.22 -0.12 0.00 -1.18 0.00 0.00 61.69 58.26 3ica s THR 156 Cb 0.03 -2.15 -0.05 0.00 1.34 0.00 0.00 72.50 71.67 3ica s THR 156 CO -0.07 -0.52 0.21 -0.76 -0.54 0.00 0.00 174.62 172.94 3ica s LEU 157 N -3.36 4.14 0.06 4.79 1.02 -1.26 -1.57 118.68 122.49 3ica s LEU 157 Ca 0.25 0.23 0.08 0.00 0.02 0.00 0.00 54.13 54.71 3ica s LEU 157 Cb -0.00 -2.20 -0.03 0.00 0.02 0.00 0.00 46.19 43.98 3ica s LEU 157 CO 0.09 0.05 -0.22 -0.54 0.02 0.00 0.00 176.35 175.75 3ica s LYS 158 N 0.98 1.41 0.26 1.70 1.02 -0.17 -4.93 119.74 120.01 3ica s LYS 158 Ca 0.10 -1.02 -0.31 0.00 0.02 0.00 0.00 55.97 54.76 3ica s LYS 158 Cb -0.13 -1.58 -0.12 0.00 -0.52 0.00 0.00 37.83 35.47 3ica s LYS 158 CO 0.04 0.40 1.53 2.41 -0.92 0.00 0.00 175.35 178.80 3ica n THR 159 N 1.67 0.90 -4.18 2.17 -1.04 -1.26 0.38 114.28 112.92 3ica n THR 159 Ca -0.18 -0.23 -0.24 0.00 -2.04 0.00 0.00 64.05 61.37 3ica n THR 159 Cb 0.53 -1.75 -0.06 0.00 -1.82 0.00 0.00 70.33 67.23 3ica n THR 159 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ica s ALA 160 N 0.07 3.38 -0.76 2.41 0.00 0.18 -4.72 121.76 122.32 3ica s ALA 160 Ca 0.67 -1.45 0.03 0.00 0.00 0.00 0.00 51.96 51.21 3ica s ALA 160 Cb -0.57 -1.09 0.18 0.00 0.00 0.00 0.00 23.12 21.65 3ica s ALA 160 CO 0.48 0.34 0.58 0.34 0.00 0.00 0.00 175.76 177.49 3ica s ASP 161 N -3.51 5.19 -0.17 0.00 2.15 -1.26 -4.62 116.67 114.45 3ica s ASP 161 Ca 0.31 -3.79 0.01 0.00 0.43 0.00 0.00 52.55 49.51 3ica s ASP 161 Cb -0.08 -1.73 0.03 0.00 -0.30 0.00 0.00 42.92 40.85 3ica s ASP 161 CO 0.22 -0.12 -0.13 0.21 -0.17 0.00 0.00 175.17 175.18 3ica s ASN 162 N -1.01 3.06 0.00 -0.34 3.84 -1.26 -4.93 114.94 114.30 3ica s ASN 162 Ca 0.25 -0.69 0.26 0.00 0.21 0.00 0.00 52.86 52.90 3ica s ASN 162 Cb -0.06 -1.24 1.57 0.00 -0.55 0.00 0.00 41.25 40.97 3ica s ASN 162 CO -0.15 -0.09 1.98 -0.90 -2.79 0.00 0.00 177.10 175.15 3ica n ASP 163 N 4.71 0.00 0.28 -4.21 5.68 -1.26 -1.77 116.55 119.98 3ica n ASP 163 Ca -0.16 -1.06 0.16 0.00 -0.50 0.00 0.00 54.79 53.23 3ica n ASP 163 Cb 0.48 0.00 0.75 0.00 -1.14 0.00 0.00 41.12 41.22 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 -8.95 -2.12 3.38 -1.97 -3.45 115.31 102.19 3ica h LEU 164 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 3ica h LEU 164 Cb 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.53 3ica h LEU 164 CO 0.00 0.06 -0.84 -0.31 0.09 0.00 0.00 178.44 177.44 3ica s TYR 165 N -3.84 2.43 0.17 1.13 2.02 -0.73 -1.47 117.35 117.06 3ica s TYR 165 Ca -0.01 -0.32 -0.08 0.00 -0.37 0.00 0.00 57.07 56.29 3ica s TYR 165 Cb 0.11 -1.35 0.05 0.00 -0.40 0.00 0.00 41.96 40.37 3ica s TYR 165 CO 0.54 0.30 1.53 0.00 -1.57 0.00 0.00 175.55 176.35 3ica h ALA 166 N 4.12 0.68 -2.12 3.71 0.00 -0.59 -3.40 119.26 121.66 3ica h ALA 166 Ca -0.49 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 53.92 3ica h ALA 166 Cb 1.16 -0.13 -0.21 0.00 0.00 0.00 0.00 17.79 18.62 3ica h ALA 166 CO 0.44 0.67 0.08 -1.54 0.00 0.00 0.00 179.25 178.90 3ica s SER 167 N -6.82 -0.65 0.00 0.00 1.04 -1.19 -5.01 113.70 101.07 3ica s SER 167 Ca -0.10 1.06 0.00 0.00 0.48 0.00 0.00 55.95 57.39 3ica s SER 167 Cb 0.12 1.03 0.00 0.00 0.10 0.00 0.00 66.02 67.26 3ica s SER 167 CO 0.86 -0.37 0.00 0.00 0.98 0.00 0.00 173.24 174.72 3ica n ALA 168 N 2.05 0.00 -3.03 5.32 0.00 -1.26 -1.28 120.51 122.31 3ica n ALA 168 Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.11 3ica n ALA 168 Cb 0.56 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.86 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 1.77 0.48 -0.28 0.00 2.02 0.16 -0.64 118.70 122.20 3ica s GLU 170 Ca 0.00 -0.14 -0.14 0.00 0.02 0.00 0.00 54.97 54.71 3ica s GLU 170 Cb 0.00 -0.49 -0.04 0.00 0.10 0.00 0.00 34.13 33.70 3ica s GLU 170 CO 0.00 0.05 0.33 0.08 0.02 0.00 0.00 175.26 175.75 3ica s VAL 171 N 0.19 5.20 -0.05 2.63 1.01 0.20 -1.00 120.40 128.58 3ica s VAL 171 Ca -0.02 0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.37 3ica s VAL 171 Cb -0.06 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.66 3ica s VAL 171 CO -0.00 0.13 -0.04 -0.75 0.00 0.00 0.00 175.10 174.43 3ica s LYS 172 N 2.00 0.84 0.80 2.72 2.20 -0.61 -0.33 119.74 127.36 3ica s LYS 172 Ca 0.13 -0.10 -0.11 0.00 -0.36 0.00 0.00 55.97 55.54 3ica s LYS 172 Cb -0.16 -0.87 0.08 0.00 -1.51 0.00 0.00 37.83 35.36 3ica s LYS 172 CO 0.10 -0.10 1.11 0.95 -0.36 0.00 0.00 175.35 177.05 3ica s THR 173 N 1.01 3.01 0.41 3.43 -4.23 -0.58 -0.62 115.64 118.07 3ica s THR 173 Ca -0.10 0.33 0.23 0.00 -1.18 0.00 0.00 61.69 60.98 3ica s THR 173 Cb -0.14 -2.71 0.42 0.00 1.34 0.00 0.00 72.50 71.41 3ica s THR 173 CO -0.00 -0.42 1.71 0.03 -0.54 0.00 0.00 174.62 175.40 3ica h ARG 174 N -1.25 0.26 0.00 3.99 -0.00 -0.61 0.21 114.38 116.98 3ica h ARG 174 Ca -0.44 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.03 3ica h ARG 174 Cb 1.24 -0.06 0.00 0.00 0.00 0.00 0.00 29.97 31.15 3ica h ARG 174 CO 0.49 0.17 -0.10 0.43 0.00 0.00 0.00 179.97 180.96 3ica n SER 175 N -4.67 0.65 0.00 7.04 7.64 -1.26 -4.95 113.62 118.08 3ica n SER 175 Ca 0.30 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.65 3ica n SER 175 Cb 1.09 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 3ica n SER 175 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ica n GLY 176 N 1.35 0.98 3.60 0.23 0.00 0.73 -5.06 105.19 107.03 3ica n GLY 176 Ca 0.05 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.88 3.60 -0.04 1.61 2.20 -1.26 -4.78 119.74 120.20 3ica s LYS 177 Ca 0.00 1.03 -0.33 0.00 -0.36 0.00 0.00 55.97 56.31 3ica s LYS 177 Cb 0.00 -4.02 -0.11 0.00 -1.51 0.00 0.00 37.83 32.19 3ica s LYS 177 CO 0.00 -1.53 1.92 -0.11 -0.36 0.00 0.00 175.35 175.27 3ica n LEU 178 N 8.78 3.74 0.03 5.43 7.94 -1.26 -1.53 117.00 140.12 3ica n LEU 178 Ca 0.17 0.94 0.11 0.00 -1.11 0.00 0.00 56.01 56.12 3ica n LEU 178 Cb 0.48 -1.43 -0.11 0.00 0.53 0.00 0.00 43.42 42.88 3ica n LEU 178 CO 0.69 0.05 -0.49 0.18 -1.11 0.00 0.00 177.39 176.71 3ica n LEU 179 N 7.00 0.29 0.00 -1.96 4.77 0.55 -4.86 117.00 122.80 3ica n LEU 179 Ca 0.22 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 3ica n LEU 179 Cb 0.34 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3ica n LEU 179 CO 0.71 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 3ica n GLY 180 N 1.24 -0.50 3.05 -0.72 0.00 -1.20 -1.02 105.19 106.05 3ica n GLY 180 Ca -0.03 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.48 0.07 -0.03 2.61 2.01 -0.79 -0.63 115.64 116.41 3ica s THR 181 Ca 0.00 -0.56 -0.19 0.00 0.31 0.00 0.00 61.69 61.25 3ica s THR 181 Cb 0.00 -0.33 0.03 0.00 0.01 0.00 0.00 72.50 72.21 3ica s THR 181 CO 0.00 -0.31 0.40 0.72 -0.69 0.00 0.00 174.62 174.75 3ica s PHE 182 N -1.03 -0.30 -2.59 4.92 -0.12 -1.26 -0.73 117.98 116.86 3ica s PHE 182 Ca -0.11 0.50 0.00 0.00 -0.05 0.00 0.00 56.93 57.27 3ica s PHE 182 Cb -0.06 0.17 0.00 0.00 -0.63 0.00 0.00 43.02 42.50 3ica s PHE 182 CO 0.01 -0.44 0.00 0.41 -0.05 0.00 0.00 175.22 175.15 3ica n GLY 183 N 1.23 -0.52 3.47 1.99 0.00 -0.79 -4.46 105.19 106.10 3ica n GLY 183 Ca -0.21 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.01 4.19 0.39 2.61 2.01 -0.40 -1.56 115.64 119.87 3ica s THR 184 Ca 0.00 -0.23 -0.27 0.00 0.31 0.00 0.00 61.69 61.50 3ica s THR 184 Cb 0.00 -2.92 -0.10 0.00 0.01 0.00 0.00 72.50 69.49 3ica s THR 184 CO 0.00 0.40 1.41 -0.69 -0.69 0.00 0.00 174.62 175.06 3ica s VAL 185 N 1.11 2.27 0.54 3.82 1.01 -0.30 -0.02 120.40 128.84 3ica s VAL 185 Ca 0.03 0.26 -0.21 0.00 0.00 0.00 0.00 61.98 62.06 3ica s VAL 185 Cb -0.14 -3.16 -0.06 0.00 0.00 0.00 0.00 36.38 33.02 3ica s VAL 185 CO 0.02 0.05 1.17 -1.54 0.00 0.00 0.00 175.10 174.80 3ica n SER 186 N 0.36 1.81 -0.16 3.32 3.41 -0.54 -4.08 113.62 117.73 3ica n SER 186 Ca 0.02 0.93 -0.03 0.00 -0.26 0.00 0.00 58.87 59.53 3ica n SER 186 Cb 0.41 -1.47 0.07 0.00 -0.26 0.00 0.00 64.21 62.95 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 1.15 0.82 -0.76 6.66 2.02 -1.92 -2.32 112.91 118.56 3ica h THR 187 Ca -0.49 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 3ica h THR 187 Cb 1.33 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 3ica h THR 187 CO 0.55 0.07 0.32 -0.08 0.37 0.00 0.00 175.52 176.74 3ica h GLU 188 N 0.36 1.12 -0.35 6.66 4.22 -1.99 -2.16 114.58 122.45 3ica h GLU 188 Ca 0.24 -0.19 -0.15 0.00 0.08 0.00 0.00 59.36 59.34 3ica h GLU 188 Cb 0.26 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3ica h GLU 188 CO -0.25 0.90 -0.39 -0.07 -2.18 0.00 0.00 179.01 177.02 3ica h LEU 189 N 1.10 0.94 -0.74 1.64 3.38 -1.80 -0.76 115.31 119.06 3ica h LEU 189 Ca 0.26 -0.48 -0.13 0.00 0.09 0.00 0.00 57.88 57.62 3ica h LEU 189 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3ica h LEU 189 CO -0.02 1.23 -0.41 0.16 0.09 0.00 0.00 178.44 179.49 3ica h ILE 190 N 0.67 1.30 -0.43 1.22 3.07 -1.36 -2.78 117.51 119.21 3ica h ILE 190 Ca 0.05 -1.56 -0.05 0.00 1.55 0.00 0.00 64.86 64.84 3ica h ILE 190 Cb 0.98 1.59 -0.02 0.00 -0.27 0.00 0.00 36.82 39.11 3ica h ILE 190 CO 0.09 0.49 0.05 0.11 -1.05 0.00 0.00 178.15 177.84 3ica h LYS 191 N 0.39 0.72 -0.95 0.16 1.79 -1.23 0.99 116.57 118.44 3ica h LYS 191 Ca 0.03 -0.20 0.19 0.00 -2.18 0.00 0.00 60.65 58.49 3ica h LYS 191 Cb 0.88 -0.08 -0.11 0.00 -1.58 0.00 0.00 32.23 31.35 3ica h LYS 191 CO 0.07 0.76 0.54 -0.09 -1.08 0.00 0.00 179.45 179.66 3ica h ARG 192 N 0.57 0.65 -0.57 3.15 2.43 -0.90 0.23 114.38 119.94 3ica h ARG 192 Ca 0.13 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3ica h ARG 192 Cb 0.40 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3ica h ARG 192 CO 0.01 0.43 0.00 1.19 -1.51 0.00 0.00 179.97 180.09 3ica n PHE 193 N -4.84 0.89 -3.08 2.20 3.72 -1.07 -4.92 117.46 110.37 3ica n PHE 193 Ca 0.22 -0.37 -0.22 0.00 -0.05 0.00 0.00 57.45 57.04 3ica n PHE 193 Cb 0.56 -0.14 0.01 0.00 -0.94 0.00 0.00 39.48 38.98 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 0.67 -3.88 -3.14 -1.08 1.02 0.82 -4.69 120.64 110.36 3ica n GLU 194 Ca 0.16 0.70 -0.40 0.00 -0.02 0.00 0.00 57.16 57.61 3ica n GLU 194 Cb 0.57 -5.47 -0.06 0.00 -0.02 0.00 0.00 31.44 26.46 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 -3.01 5.02 -0.33 -3.67 1.01 0.30 -4.96 121.20 115.57 3ica s ILE 195 Ca 0.30 1.11 0.02 0.00 0.00 0.00 0.00 60.65 62.08 3ica s ILE 195 Cb -0.15 -3.91 0.44 0.00 0.01 0.00 0.00 42.46 38.85 3ica s ILE 195 CO 0.37 0.09 1.68 -0.62 0.00 0.00 0.00 174.94 176.46 3ica n GLU 196 N 5.28 1.90 -3.54 2.79 -0.58 -1.26 -4.26 120.64 120.96 3ica n GLU 196 Ca -0.02 -2.09 -0.12 0.00 -0.42 0.00 0.00 57.16 54.50 3ica n GLU 196 Cb 0.50 -1.82 -0.05 0.00 -0.57 0.00 0.00 31.44 29.50 3ica n GLU 196 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3ica s GLN 197 N -2.31 0.79 0.57 3.49 0.74 -1.26 -5.15 119.66 116.52 3ica s GLN 197 Ca 0.40 0.08 -0.18 0.00 0.05 0.00 0.00 55.36 55.70 3ica s GLN 197 Cb 0.33 0.37 -0.05 0.00 1.10 0.00 0.00 33.01 34.77 3ica s GLN 197 CO 0.07 -0.27 1.12 -2.14 -0.55 0.00 0.00 175.29 173.52 3ica s PRO 198 N -1.57 3.25 -0.11 1.67 0.02 -1.26 -5.02 135.00 131.98 3ica s PRO 198 Ca -0.03 1.55 0.02 0.00 0.02 0.00 0.00 61.00 62.56 3ica s PRO 198 Cb -0.00 -2.00 0.01 0.00 0.02 0.00 0.00 34.50 32.53 3ica s PRO 198 CO 0.02 -0.92 -0.18 0.08 -0.33 0.00 0.00 177.00 175.67 3ica s VAL 199 N -1.92 1.67 -0.23 3.83 1.01 -1.26 -4.30 120.40 119.19 3ica s VAL 199 Ca 0.71 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.85 3ica s VAL 199 Cb -0.23 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3ica s VAL 199 CO 0.30 0.47 0.10 -0.31 0.00 0.00 0.00 175.10 175.66 3ica s TYR 200 N 0.83 3.20 -0.05 5.22 1.51 -0.65 -1.15 117.35 126.26 3ica s TYR 200 Ca -0.09 -0.06 0.03 0.00 -1.01 0.00 0.00 57.07 55.93 3ica s TYR 200 Cb -0.16 -2.21 0.01 0.00 -0.11 0.00 0.00 41.96 39.50 3ica s TYR 200 CO 0.00 -0.08 -0.11 0.12 -1.11 0.00 0.00 175.55 174.37 3ica s PHE 201 N 1.11 1.26 0.11 2.71 5.36 -0.60 -1.38 117.98 126.56 3ica s PHE 201 Ca 0.05 -0.39 0.09 0.00 -0.96 0.00 0.00 56.93 55.72 3ica s PHE 201 Cb -0.14 -0.91 -0.04 0.00 -0.34 0.00 0.00 43.02 41.59 3ica s PHE 201 CO 0.04 -0.19 -0.21 0.00 -1.46 0.00 0.00 175.22 173.40 3ica s ALA 202 N 0.42 2.58 -0.13 11.12 0.00 0.02 -1.88 121.76 133.89 3ica s ALA 202 Ca -0.09 -1.37 -0.03 0.00 0.00 0.00 0.00 51.96 50.48 3ica s ALA 202 Cb -0.12 -0.58 0.05 0.00 0.00 0.00 0.00 23.12 22.46 3ica s ALA 202 CO 0.02 0.58 0.04 -2.00 0.00 0.00 0.00 175.76 174.40 3ica s GLU 203 N -2.04 0.39 -0.04 0.00 2.12 0.09 -0.70 118.70 118.52 3ica s GLU 203 Ca 0.16 -0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.43 3ica s GLU 203 Cb -0.10 -1.48 -0.03 0.00 0.26 0.00 0.00 34.13 32.77 3ica s GLU 203 CO 0.08 -0.50 0.00 -0.51 -0.54 0.00 0.00 175.26 173.79 3ica s LEU 204 N 2.01 3.55 -0.53 2.70 1.43 0.65 -1.88 118.68 126.60 3ica s LEU 204 Ca 0.02 0.06 -0.19 0.00 -1.03 0.00 0.00 54.13 52.99 3ica s LEU 204 Cb -0.15 -1.94 0.07 0.00 0.03 0.00 0.00 46.19 44.20 3ica s LEU 204 CO -0.07 0.32 0.66 -0.76 0.23 0.00 0.00 176.35 176.73 3ica s LEU 205 N -1.28 5.05 0.35 1.79 1.43 -0.19 -1.11 118.68 124.72 3ica s LEU 205 Ca 0.17 -1.04 0.04 0.00 -1.03 0.00 0.00 54.13 52.26 3ica s LEU 205 Cb -0.11 -2.41 0.63 0.00 0.03 0.00 0.00 46.19 44.32 3ica s LEU 205 CO 0.07 -0.97 1.93 -0.25 0.23 0.00 0.00 176.35 177.35 3ica h TRP 206 N 9.07 0.62 -0.41 0.29 -0.00 -1.61 -1.52 115.95 122.38 3ica h TRP 206 Ca -0.28 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 58.58 3ica h TRP 206 Cb 1.09 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.16 30.04 3ica h TRP 206 CO 0.78 0.51 0.25 -0.44 -0.00 0.00 0.00 178.44 179.55 3ica h ASP 207 N 0.61 0.49 0.22 2.65 5.19 -1.92 -1.95 116.42 121.72 3ica h ASP 207 Ca 0.14 -0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.48 3ica h ASP 207 Cb 0.18 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.56 3ica h ASP 207 CO -0.01 0.39 -0.13 0.00 -3.12 0.00 0.00 179.24 176.37 3ica h ALA 208 N 1.12 1.53 -0.01 3.45 0.00 -1.62 -3.53 119.26 120.19 3ica h ALA 208 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ica h ALA 208 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ica h ALA 208 CO -0.03 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.67