#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dum n PHE 5 N 0.00 0.13 -0.10 1.12 0.99 -1.26 -4.60 117.46 113.73 2dum n PHE 5 Ca 0.00 -1.49 -0.03 0.00 -0.00 0.00 0.00 57.45 55.92 2dum n PHE 5 Cb 0.00 -0.27 0.19 0.00 -1.00 0.00 0.00 39.48 38.39 2dum n PHE 5 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 2dum h ARG 6 N 0.97 0.77 -1.10 -1.08 2.43 -1.91 0.94 114.38 115.40 2dum h ARG 6 Ca 0.03 -0.18 -0.12 0.00 -0.81 0.00 0.00 59.98 58.89 2dum h ARG 6 Cb 1.08 -0.10 -0.19 0.00 -0.42 0.00 0.00 29.97 30.33 2dum h ARG 6 CO 0.04 0.75 -0.49 0.21 -1.51 0.00 0.00 179.97 178.97 2dum s LYS 7 N -5.08 0.89 -0.03 0.20 2.20 -1.26 -0.59 119.74 116.07 2dum s LYS 7 Ca -0.09 -0.59 -0.15 0.00 -0.36 0.00 0.00 55.97 54.78 2dum s LYS 7 Cb 0.15 -0.04 -0.05 0.00 -1.51 0.00 0.00 37.83 36.38 2dum s LYS 7 CO 0.80 -1.24 0.40 0.08 -0.36 0.00 0.00 175.35 175.03 2dum s VAL 8 N 1.48 5.08 -0.02 4.02 1.01 -0.17 0.19 120.40 132.00 2dum s VAL 8 Ca 0.21 0.82 0.07 0.00 0.00 0.00 0.00 61.98 63.07 2dum s VAL 8 Cb -0.04 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 2dum s VAL 8 CO -0.06 0.53 -0.23 -0.22 0.00 0.00 0.00 175.10 175.12 2dum s LEU 9 N -0.74 2.23 -0.27 3.92 2.96 -0.57 -1.19 118.68 125.03 2dum s LEU 9 Ca 0.23 -0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 53.71 2dum s LEU 9 Cb -0.16 -1.39 0.09 0.00 0.50 0.00 0.00 46.19 45.23 2dum s LEU 9 CO 0.12 0.32 0.10 0.12 -1.32 0.00 0.00 176.35 175.69 2dum s PHE 10 N -0.65 0.92 0.03 5.38 5.36 -0.46 -1.02 117.98 127.54 2dum s PHE 10 Ca 0.10 -1.14 -0.30 0.00 -0.96 0.00 0.00 56.93 54.64 2dum s PHE 10 Cb -0.10 -1.19 -0.04 0.00 -0.34 0.00 0.00 43.02 41.34 2dum s PHE 10 CO -0.00 -0.79 1.06 -2.14 -1.46 0.00 0.00 175.22 171.89 2dum s PRO 11 N 1.89 4.52 -0.17 10.12 0.02 -1.26 -0.97 135.00 149.16 2dum s PRO 11 Ca 0.07 1.55 -0.00 0.00 0.02 0.00 0.00 61.00 62.64 2dum s PRO 11 Cb -0.17 -3.41 0.04 0.00 0.02 0.00 0.00 34.50 30.98 2dum s PRO 11 CO -0.26 -0.11 -0.07 -0.08 -0.33 0.00 0.00 177.00 176.15 2dum s THR 12 N 0.97 1.22 -0.65 0.99 -1.32 0.22 -4.77 115.64 112.30 2dum s THR 12 Ca 0.54 -0.67 0.25 0.00 -1.21 0.00 0.00 61.69 60.60 2dum s THR 12 Cb -0.24 -1.35 0.20 0.00 -1.51 0.00 0.00 72.50 69.59 2dum s THR 12 CO 0.29 0.17 1.57 -2.24 -2.21 0.00 0.00 174.62 172.19 2dum h ASP 13 N 8.09 0.00 0.00 8.08 3.04 -1.92 -3.40 116.42 130.32 2dum h ASP 13 Ca -0.26 -0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.46 2dum h ASP 13 Cb 1.11 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.40 2dum h ASP 13 CO 0.42 0.04 0.00 0.49 -2.04 0.00 0.00 179.24 178.15 2dum n PHE 14 N -2.32 0.00 -1.58 4.15 0.99 -1.26 -5.06 117.46 112.39 2dum n PHE 14 Ca 0.04 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.09 2dum n PHE 14 Cb 0.45 0.00 0.02 0.00 -1.00 0.00 0.00 39.48 38.95 2dum n PHE 14 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2dum n SER 15 N 0.00 0.59 -0.08 4.37 2.88 -1.26 -4.72 113.62 115.41 2dum n SER 15 Ca 0.00 0.92 0.14 0.00 -1.33 0.00 0.00 58.87 58.60 2dum n SER 15 Cb 0.00 -1.31 0.54 0.00 -0.75 0.00 0.00 64.21 62.69 2dum n SER 15 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2dum h GLU 16 N 1.02 0.32 -0.25 -1.46 4.11 -1.90 0.48 114.58 116.89 2dum h GLU 16 Ca -0.45 -0.02 0.06 0.00 0.07 0.00 0.00 59.36 59.02 2dum h GLU 16 Cb 1.36 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.48 2dum h GLU 16 CO 0.53 0.21 -0.13 0.78 0.07 0.00 0.00 179.01 180.47 2dum h GLY 17 N 0.33 0.07 0.95 1.06 0.00 -1.80 -0.53 103.07 103.14 2dum h GLY 17 Ca 0.28 0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.77 2dum h GLY 17 CO -0.07 -0.15 0.16 0.00 0.00 0.00 0.00 176.54 176.49 2dum h ALA 18 N 1.09 0.42 0.00 3.60 0.00 -1.42 -2.30 119.26 120.66 2dum h ALA 18 Ca 0.13 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2dum h ALA 18 Cb 0.31 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2dum h ALA 18 CO -0.32 -0.03 -0.00 1.88 0.00 0.00 0.00 179.25 180.78 2dum h TYR 19 N 0.40 0.00 -0.02 0.00 0.05 -0.05 -3.04 116.97 114.31 2dum h TYR 19 Ca 0.11 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.68 2dum h TYR 19 Cb 0.10 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.86 2dum h TYR 19 CO -0.02 0.00 -0.80 -0.09 -1.05 0.00 0.00 178.16 176.20 2dum h ARG 20 N 0.00 0.58 -0.17 4.88 1.12 -0.71 -3.28 114.38 116.79 2dum h ARG 20 Ca -0.00 -0.59 0.05 0.00 -1.11 0.00 0.00 59.98 58.33 2dum h ARG 20 Cb 0.01 0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.12 2dum h ARG 20 CO 0.00 1.21 0.14 0.00 -3.11 0.00 0.00 179.97 178.21 2dum h ALA 21 N 0.38 2.02 0.00 2.80 0.00 -1.31 1.26 119.26 124.42 2dum h ALA 21 Ca -0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2dum h ALA 21 Cb 1.48 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2dum h ALA 21 CO 0.16 -0.23 -0.21 -0.24 0.00 0.00 0.00 179.25 178.73 2dum h VAL 22 N 0.00 0.65 0.17 0.00 3.04 -1.61 -2.47 116.25 116.04 2dum h VAL 22 Ca 0.08 -0.93 -0.29 0.00 -1.01 0.00 0.00 66.70 64.55 2dum h VAL 22 Cb 0.37 1.60 0.01 0.00 -2.01 0.00 0.00 31.29 31.26 2dum h VAL 22 CO -0.00 0.21 -1.38 -0.33 -1.01 0.00 0.00 177.57 175.06 2dum h GLU 23 N 0.00 0.36 -0.76 4.17 5.08 0.14 -2.83 114.58 120.73 2dum h GLU 23 Ca -0.00 -0.61 0.08 0.00 -1.00 0.00 0.00 59.36 57.83 2dum h GLU 23 Cb 0.58 0.23 -0.07 0.00 0.50 0.00 0.00 28.75 29.99 2dum h GLU 23 CO 0.03 1.29 0.43 0.28 -1.00 0.00 0.00 179.01 180.04 2dum h VAL 24 N -0.13 0.93 -0.00 3.13 2.07 -0.97 0.62 116.25 121.91 2dum h VAL 24 Ca -0.27 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 66.90 2dum h VAL 24 Cb 1.90 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2dum h VAL 24 CO 0.15 0.14 -0.46 0.15 0.02 0.00 0.00 177.57 177.57 2dum h PHE 25 N 0.75 0.01 0.00 1.57 3.04 -1.47 0.47 116.94 121.31 2dum h PHE 25 Ca 0.36 -0.00 -0.13 0.00 3.98 0.00 0.00 57.97 62.18 2dum h PHE 25 Cb 0.29 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.78 2dum h PHE 25 CO -0.07 0.47 -0.62 1.49 -2.02 0.00 0.00 178.31 177.56 2dum h GLU 26 N 0.00 0.00 -0.07 1.11 4.81 -0.66 0.11 114.58 119.88 2dum h GLU 26 Ca -0.00 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.01 2dum h GLU 26 Cb 0.82 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.21 2dum h GLU 26 CO 0.06 0.62 -0.82 0.87 -0.73 0.00 0.00 179.01 179.01 2dum h LYS 27 N 0.00 0.68 0.00 1.92 1.79 -0.11 -3.35 116.57 117.50 2dum h LYS 27 Ca -0.01 -0.64 -0.26 0.00 -2.18 0.00 0.00 60.65 57.57 2dum h LYS 27 Cb 1.21 0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 31.97 2dum h LYS 27 CO 0.08 1.24 -1.41 0.00 -1.08 0.00 0.00 179.45 178.28 2dum h ARG 28 N 0.35 0.00 -5.91 3.15 3.08 -0.86 -3.46 114.38 110.74 2dum h ARG 28 Ca -0.08 -0.01 -0.57 0.00 0.07 0.00 0.00 59.98 59.39 2dum h ARG 28 Cb 1.47 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.46 2dum h ARG 28 CO 0.16 0.72 -0.07 1.21 -1.07 0.00 0.00 179.97 180.92 2dum s ASN 29 N -6.37 6.83 0.00 7.04 3.04 0.36 -4.83 114.94 121.01 2dum s ASN 29 Ca -0.02 0.99 0.08 0.00 0.04 0.00 0.00 52.86 53.95 2dum s ASN 29 Cb 0.09 -2.33 -0.06 0.00 -1.54 0.00 0.00 41.25 37.41 2dum s ASN 29 CO 0.82 0.03 0.44 0.29 -3.04 0.00 0.00 177.10 175.65 2dum n LYS 30 N 3.30 3.44 -2.68 0.43 4.76 -1.26 -4.82 118.16 121.34 2dum n LYS 30 Ca -0.06 -0.22 -0.34 0.00 -2.87 0.00 0.00 58.31 54.81 2dum n LYS 30 Cb 0.51 -0.95 -0.05 0.00 -1.84 0.00 0.00 35.03 32.70 2dum n LYS 30 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2dum s MET 31 N -1.57 4.10 0.20 1.97 -1.94 -1.26 -5.01 119.30 115.79 2dum s MET 31 Ca 0.05 1.28 -0.29 0.00 -1.71 0.00 0.00 55.69 55.02 2dum s MET 31 Cb 0.07 -2.26 -0.08 0.00 2.01 0.00 0.00 34.83 34.57 2dum s MET 31 CO 0.29 -0.16 0.90 -2.00 -0.01 0.00 0.00 175.02 174.04 2dum s GLU 32 N -3.00 4.76 -0.15 2.03 2.12 -1.26 -4.13 118.70 119.07 2dum s GLU 32 Ca 0.62 1.40 -0.06 0.00 0.36 0.00 0.00 54.97 57.29 2dum s GLU 32 Cb -0.14 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 2dum s GLU 32 CO 0.19 0.48 0.06 0.08 -0.54 0.00 0.00 175.26 175.53 2dum s VAL 33 N -0.97 4.82 0.00 3.70 1.01 -0.27 -4.83 120.40 123.86 2dum s VAL 33 Ca 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2dum s VAL 33 Cb -0.25 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.00 2dum s VAL 33 CO 0.30 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.53 2dum n GLY 34 N 2.97 -1.01 3.56 4.51 0.00 0.33 -1.66 105.19 113.89 2dum n GLY 34 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2dum n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dum s GLU 35 N 0.00 2.09 -0.30 1.61 2.12 0.24 -1.11 118.70 123.36 2dum s GLU 35 Ca 0.00 -1.03 0.03 0.00 0.36 0.00 0.00 54.97 54.32 2dum s GLU 35 Cb 0.00 -2.28 0.08 0.00 0.26 0.00 0.00 34.13 32.19 2dum s GLU 35 CO 0.00 0.51 -0.00 0.08 -0.54 0.00 0.00 175.26 175.31 2dum s VAL 36 N -1.18 2.01 -0.29 3.70 1.01 0.11 -0.99 120.40 124.76 2dum s VAL 36 Ca 0.20 -1.91 -0.29 0.00 0.00 0.00 0.00 61.98 59.98 2dum s VAL 36 Cb -0.11 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 2dum s VAL 36 CO 0.13 -0.39 1.33 -0.63 0.00 0.00 0.00 175.10 175.54 2dum s ILE 37 N 1.09 4.10 -0.24 2.22 1.01 -0.33 -2.05 121.20 127.00 2dum s ILE 37 Ca 0.03 1.24 -0.08 0.00 0.00 0.00 0.00 60.65 61.84 2dum s ILE 37 Cb -0.19 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 2dum s ILE 37 CO -0.09 -0.46 0.09 -0.22 0.00 0.00 0.00 174.94 174.27 2dum s LEU 38 N 4.45 3.64 -0.03 2.97 2.96 0.15 -1.35 118.68 131.47 2dum s LEU 38 Ca 0.58 -0.09 0.06 0.00 -0.22 0.00 0.00 54.13 54.45 2dum s LEU 38 Cb -0.17 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 2dum s LEU 38 CO 0.24 0.02 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.86 2dum s LEU 39 N 1.29 2.02 -0.11 -0.68 2.96 -0.14 -0.39 118.68 123.63 2dum s LEU 39 Ca 0.05 -0.39 0.03 0.00 -0.22 0.00 0.00 54.13 53.60 2dum s LEU 39 Cb -0.15 -1.10 0.01 0.00 0.50 0.00 0.00 46.19 45.46 2dum s LEU 39 CO 0.04 0.24 -0.19 -2.28 -1.32 0.00 0.00 176.35 172.83 2dum s HIS 40 N -0.35 2.31 -0.21 5.38 5.65 -0.11 0.71 115.29 128.66 2dum s HIS 40 Ca 0.04 -1.06 -0.07 0.00 0.25 0.00 0.00 55.06 54.22 2dum s HIS 40 Cb -0.09 -1.59 -0.04 0.00 -1.18 0.00 0.00 32.58 29.68 2dum s HIS 40 CO 0.00 -0.49 0.07 0.54 -0.65 0.00 0.00 174.74 174.21 2dum s VAL 41 N 0.72 4.57 -0.05 0.89 0.11 -1.26 -1.18 120.40 124.21 2dum s VAL 41 Ca -0.11 -0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 58.55 2dum s VAL 41 Cb -0.16 -3.10 -0.05 0.00 -1.53 0.00 0.00 36.38 31.55 2dum s VAL 41 CO 0.02 0.40 1.43 -0.63 -3.33 0.00 0.00 175.10 172.99 2dum s ILE 42 N 0.95 3.82 -0.91 7.04 1.01 0.31 -4.87 121.20 128.55 2dum s ILE 42 Ca 0.04 1.11 -0.24 0.00 0.00 0.00 0.00 60.65 61.55 2dum s ILE 42 Cb -0.14 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 2dum s ILE 42 CO 0.03 -0.05 1.74 -0.62 0.00 0.00 0.00 174.94 176.04 2dum s ASP 43 N 2.26 5.67 0.00 3.58 -1.08 -1.26 -2.53 116.67 123.31 2dum s ASP 43 Ca 0.64 -0.85 0.00 0.00 -0.52 0.00 0.00 52.55 51.82 2dum s ASP 43 Cb -0.30 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.60 2dum s ASP 43 CO 0.24 -2.25 0.82 1.21 0.52 0.00 0.00 175.17 175.72 2dum n GLU 44 N 8.92 0.00 -1.22 4.34 2.13 -0.02 -0.21 120.64 134.58 2dum n GLU 44 Ca 0.34 0.32 -0.24 0.00 0.66 0.00 0.00 57.16 58.25 2dum n GLU 44 Cb 0.49 -1.51 0.18 0.00 0.27 0.00 0.00 31.44 30.87 2dum n GLU 44 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dum n GLY 45 N -1.32 4.54 0.00 8.31 0.00 -1.26 -2.93 105.19 112.53 2dum n GLY 45 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2dum n GLY 45 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2dum n THR 46 N -1.15 0.00 0.12 2.61 -1.04 0.70 -4.07 114.28 111.47 2dum n THR 46 Ca 0.59 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 62.47 2dum n THR 46 Cb 1.64 -0.48 -0.08 0.00 -1.82 0.00 0.00 70.33 69.59 2dum n THR 46 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2dum h LEU 47 N 0.00 -0.23 -0.94 -4.42 5.85 -1.62 0.15 115.31 114.09 2dum h LEU 47 Ca 0.00 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2dum h LEU 47 Cb 0.49 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2dum h LEU 47 CO 0.00 -0.03 0.00 -0.62 -0.34 0.00 0.00 178.44 177.45 2dum n GLU 48 N -5.14 0.78 0.00 1.25 -0.58 -1.15 -1.76 120.64 114.04 2dum n GLU 48 Ca -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 2dum n GLU 48 Cb 0.18 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 2dum n GLU 48 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2dum n GLU 49 N 0.07 1.39 0.02 3.49 1.02 -0.59 -4.51 120.64 121.52 2dum n GLU 49 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 2dum n GLU 49 Cb 0.18 -1.00 -0.08 0.00 -0.02 0.00 0.00 31.44 30.52 2dum n GLU 49 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2dum h LEU 50 N 0.00 -0.00 0.38 -4.62 4.07 0.09 -3.37 115.31 111.86 2dum h LEU 50 Ca 0.00 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 57.72 2dum h LEU 50 Cb 0.35 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.07 2dum h LEU 50 CO 0.00 0.23 -0.40 0.24 -1.08 0.00 0.00 178.44 177.44 2dum h MET 51 N -0.24 -0.75 -5.03 1.13 2.86 -1.65 -0.83 114.93 110.42 2dum h MET 51 Ca -0.00 0.05 -0.33 0.00 -2.06 0.00 0.00 59.70 57.36 2dum h MET 51 Cb 0.24 0.17 0.08 0.00 0.06 0.00 0.00 31.60 32.14 2dum h MET 51 CO 0.00 -0.50 0.81 -0.40 1.06 0.00 0.00 176.91 177.88 2dum n ASP 52 N -4.81 1.25 0.00 1.22 5.75 -1.26 -5.14 116.55 113.56 2dum n ASP 52 Ca -0.09 -2.51 0.00 0.00 -0.01 0.00 0.00 54.79 52.18 2dum n ASP 52 Cb 0.36 -1.08 0.00 0.00 -1.03 0.00 0.00 41.12 39.37 2dum n ASP 52 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dum n GLY 53 N 5.49 1.25 3.73 6.12 0.00 -0.32 -4.83 105.19 116.63 2dum n GLY 53 Ca 0.44 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 2dum n GLY 53 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dum n LEU 65 N 0.00 4.85 -2.75 0.99 0.00 -1.26 -4.94 117.00 113.89 2dum n LEU 65 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 56.01 57.06 2dum n LEU 65 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 43.42 41.87 2dum n LEU 65 CO 0.00 -0.56 0.59 2.29 0.00 0.00 0.00 177.39 179.71 2dum n LYS 66 N -0.46 0.00 -2.62 1.96 2.85 -1.26 -3.66 118.16 114.97 2dum n LYS 66 Ca 0.08 -0.16 -0.06 0.00 -1.05 0.00 0.00 58.31 57.12 2dum n LYS 66 Cb 0.42 -1.55 0.04 0.00 -0.65 0.00 0.00 35.03 33.30 2dum n LYS 66 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2dum n ASP 67 N 3.48 2.46 0.15 -5.58 9.92 -1.26 -4.09 116.55 121.63 2dum n ASP 67 Ca 0.00 -2.48 0.13 0.00 -0.53 0.00 0.00 54.79 51.91 2dum n ASP 67 Cb 0.00 -0.44 0.39 0.00 -0.64 0.00 0.00 41.12 40.42 2dum n ASP 67 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2dum h ILE 68 N 4.70 0.00 0.00 0.53 5.03 -1.98 -3.38 117.51 122.41 2dum h ILE 68 Ca -0.01 -0.56 0.00 0.00 -0.12 0.00 0.00 64.86 64.17 2dum h ILE 68 Cb 1.34 1.52 0.00 0.00 -3.03 0.00 0.00 36.82 36.65 2dum h ILE 68 CO 0.33 0.00 0.00 1.17 -0.68 0.00 0.00 178.15 178.97 2dum n LYS 69 N -2.52 0.00 -0.47 2.37 4.81 -1.26 0.12 118.16 121.20 2dum n LYS 69 Ca 0.04 0.36 0.39 0.00 -0.87 0.00 0.00 58.31 58.23 2dum n LYS 69 Cb 0.41 -1.14 0.70 0.00 0.02 0.00 0.00 35.03 35.02 2dum n LYS 69 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2dum h GLU 70 N 0.00 0.08 0.00 1.64 4.39 -1.87 3.24 114.58 122.05 2dum h GLU 70 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2dum h GLU 70 Cb 0.00 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2dum h GLU 70 CO 0.00 0.05 0.00 0.87 -1.16 0.00 0.00 179.01 178.77 2dum h LYS 71 N 0.08 0.00 0.18 2.33 6.56 -1.53 -2.19 116.57 122.00 2dum h LYS 71 Ca 0.77 0.00 -0.35 0.00 -1.06 0.00 0.00 60.65 60.01 2dum h LYS 71 Cb 2.71 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 34.37 2dum h LYS 71 CO -0.21 0.00 -1.76 1.25 -2.06 0.00 0.00 179.45 176.67 2dum h LEU 72 N 0.00 0.60 0.89 2.94 5.85 1.35 -2.51 115.31 124.44 2dum h LEU 72 Ca 0.00 -0.92 -0.04 0.00 0.84 0.00 0.00 57.88 57.76 2dum h LEU 72 Cb 0.76 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.60 2dum h LEU 72 CO 0.00 1.78 -0.45 0.50 -0.34 0.00 0.00 178.44 179.93 2dum h LYS 73 N 0.10 -1.17 -0.59 1.25 3.64 -0.21 -2.28 116.57 117.31 2dum h LYS 73 Ca -0.35 0.08 0.08 0.00 -1.27 0.00 0.00 60.65 59.19 2dum h LYS 73 Cb 2.10 0.27 -0.06 0.00 -0.41 0.00 0.00 32.23 34.12 2dum h LYS 73 CO 0.17 -0.78 0.26 1.05 -2.27 0.00 0.00 179.45 177.88 2dum h GLU 74 N -1.22 0.46 -1.10 1.90 4.11 -1.50 0.61 114.58 117.84 2dum h GLU 74 Ca -0.12 -0.03 0.31 0.00 0.07 0.00 0.00 59.36 59.59 2dum h GLU 74 Cb 0.94 -0.10 -0.11 0.00 0.50 0.00 0.00 28.75 29.98 2dum h GLU 74 CO 0.19 0.30 0.70 1.49 0.07 0.00 0.00 179.01 181.76 2dum h GLU 75 N 0.47 0.31 0.00 1.06 4.57 -1.40 -1.75 114.58 117.84 2dum h GLU 75 Ca 0.28 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 2dum h GLU 75 Cb 0.29 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 2dum h GLU 75 CO -0.25 0.20 0.00 0.00 -1.18 0.00 0.00 179.01 177.79 2dum n ALA 76 N -2.46 -0.00 0.00 2.92 0.00 0.20 -2.39 120.51 118.77 2dum n ALA 76 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2dum n ALA 76 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.47 2dum n ALA 76 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2dum n SER 77 N -1.22 0.00 0.00 0.00 7.64 -0.24 -0.41 113.62 119.38 2dum n SER 77 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2dum n SER 77 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2dum n SER 77 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2dum n ARG 78 N -3.18 0.00 -0.32 1.43 0.63 -0.66 -2.50 116.66 112.06 2dum n ARG 78 Ca 0.00 0.41 0.18 0.00 -0.92 0.00 0.00 57.85 57.52 2dum n ARG 78 Cb 0.00 -1.10 0.37 0.00 0.45 0.00 0.00 32.46 32.18 2dum n ARG 78 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2dum h LYS 79 N 0.00 0.21 -0.28 -0.14 3.64 -0.36 0.28 116.57 119.92 2dum h LYS 79 Ca 0.00 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 2dum h LYS 79 Cb 0.00 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2dum h LYS 79 CO 0.00 0.14 -0.55 1.25 -2.27 0.00 0.00 179.45 178.01 2dum h LEU 80 N 0.22 0.98 0.00 5.20 5.85 -1.25 -2.97 115.31 123.34 2dum h LEU 80 Ca 0.64 -0.54 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 2dum h LEU 80 Cb 1.38 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2dum h LEU 80 CO -0.67 1.33 -0.75 1.56 -0.34 0.00 0.00 178.44 179.57 2dum h GLN 81 N 0.66 0.00 -0.04 1.25 1.08 -0.62 -1.87 115.11 115.57 2dum h GLN 81 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2dum h GLN 81 Cb 1.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 2dum h GLN 81 CO 0.12 0.22 0.00 -1.91 -0.95 0.00 0.00 178.83 176.31 2dum n GLU 82 N -2.98 0.30 0.00 1.46 2.13 0.77 -3.51 120.64 118.81 2dum n GLU 82 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 2dum n GLU 82 Cb 0.67 -1.02 0.00 0.00 0.27 0.00 0.00 31.44 31.36 2dum n GLU 82 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2dum n LYS 83 N -0.38 0.29 0.21 5.31 4.81 -1.02 -4.79 118.16 122.59 2dum n LYS 83 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.59 2dum n LYS 83 Cb 0.01 -0.02 0.53 0.00 0.02 0.00 0.00 35.03 35.57 2dum n LYS 83 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2dum h ALA 84 N 0.00 1.00 0.01 3.14 0.00 -1.39 -2.70 119.26 119.31 2dum h ALA 84 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 2dum h ALA 84 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2dum h ALA 84 CO 0.00 0.00 -1.06 0.93 0.00 0.00 0.00 179.25 179.12 2dum h GLU 85 N 0.00 0.02 -0.33 0.00 4.39 -1.87 -2.65 114.58 114.13 2dum h GLU 85 Ca 0.00 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 2dum h GLU 85 Cb 0.56 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2dum h GLU 85 CO 0.00 0.98 -0.36 0.93 -1.16 0.00 0.00 179.01 179.40 2dum h GLU 86 N 0.00 0.83 -0.05 2.33 3.07 -1.86 -2.87 114.58 116.03 2dum h GLU 86 Ca -0.04 -0.45 -0.20 0.00 -0.50 0.00 0.00 59.36 58.17 2dum h GLU 86 Cb 1.80 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 29.73 2dum h GLU 86 CO 0.13 1.09 -0.81 0.28 -1.40 0.00 0.00 179.01 178.29 2dum h VAL 87 N 0.62 1.38 -0.77 3.13 2.07 -1.47 -0.48 116.25 120.73 2dum h VAL 87 Ca 0.05 -2.26 0.08 0.00 0.82 0.00 0.00 66.70 65.40 2dum h VAL 87 Cb 0.95 2.23 -0.05 0.00 -1.52 0.00 0.00 31.29 32.89 2dum h VAL 87 CO 0.09 0.68 0.50 0.50 0.02 0.00 0.00 177.57 179.36 2dum h LYS 88 N 0.27 0.71 0.15 1.57 3.64 -1.40 -0.99 116.57 120.54 2dum h LYS 88 Ca -0.05 -0.04 -0.32 0.00 -1.27 0.00 0.00 60.65 58.96 2dum h LYS 88 Cb 1.42 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2dum h LYS 88 CO 0.14 0.47 -1.64 0.07 -2.27 0.00 0.00 179.45 176.23 2dum h ARG 89 N 0.73 0.32 -0.89 1.90 0.11 -1.33 -2.80 114.38 112.43 2dum h ARG 89 Ca 0.35 -0.55 0.22 0.00 0.10 0.00 0.00 59.98 60.10 2dum h ARG 89 Cb 0.38 0.20 -0.06 0.00 1.11 0.00 0.00 29.97 31.61 2dum h ARG 89 CO -0.13 1.26 0.60 0.00 0.10 0.00 0.00 179.97 181.81 2dum h ALA 90 N 0.04 2.39 -1.35 0.08 0.00 -0.79 -3.39 119.26 116.24 2dum h ALA 90 Ca -0.34 0.01 -0.47 0.00 0.00 0.00 0.00 54.91 54.11 2dum h ALA 90 Cb 1.95 0.00 0.09 0.00 0.00 0.00 0.00 17.79 19.84 2dum h ALA 90 CO 0.12 -0.66 0.14 -0.06 0.00 0.00 0.00 179.25 178.79 2dum s PHE 91 N -5.29 1.47 -0.69 0.00 0.40 -0.40 -3.75 117.98 109.73 2dum s PHE 91 Ca -0.07 -0.25 0.02 0.00 -0.60 0.00 0.00 56.93 56.02 2dum s PHE 91 Cb 0.22 -3.11 0.37 0.00 0.51 0.00 0.00 43.02 41.02 2dum s PHE 91 CO 0.78 -1.86 1.53 0.54 0.70 0.00 0.00 175.22 176.91 2dum n ARG 92 N -2.95 3.39 -3.47 0.44 3.00 -1.26 -4.89 116.66 110.93 2dum n ARG 92 Ca 0.16 -4.19 -0.38 0.00 -0.01 0.00 0.00 57.85 53.43 2dum n ARG 92 Cb 0.61 -2.28 -0.06 0.00 0.00 0.00 0.00 32.46 30.72 2dum n ARG 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dum s ALA 93 N -3.84 3.64 -0.08 7.54 0.00 -1.06 -1.12 121.76 126.84 2dum s ALA 93 Ca 0.49 -0.24 0.21 0.00 0.00 0.00 0.00 51.96 52.42 2dum s ALA 93 Cb 0.38 -2.44 0.53 0.00 0.00 0.00 0.00 23.12 21.58 2dum s ALA 93 CO -0.27 0.33 1.66 0.87 0.00 0.00 0.00 175.76 178.35 2dum h LYS 94 N 5.38 0.00 -2.89 0.00 1.57 -0.17 -3.44 116.57 117.02 2dum h LYS 94 Ca -0.48 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.12 2dum h LYS 94 Cb 1.20 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.22 2dum h LYS 94 CO 0.66 0.27 -0.46 -0.80 -0.57 0.00 0.00 179.45 178.55 2dum s ASN 95 N -6.26 -0.15 -0.04 0.86 -0.87 -1.16 -5.06 114.94 102.26 2dum s ASN 95 Ca 0.03 0.63 0.05 0.00 -1.57 0.00 0.00 52.86 52.01 2dum s ASN 95 Cb 0.08 0.60 -0.02 0.00 -0.02 0.00 0.00 41.25 41.89 2dum s ASN 95 CO 0.68 -0.19 -0.20 0.54 -2.57 0.00 0.00 177.10 175.35 2dum s VAL 96 N 1.67 2.57 0.33 1.60 0.11 -1.26 0.07 120.40 125.49 2dum s VAL 96 Ca -0.06 -0.90 0.06 0.00 -2.93 0.00 0.00 61.98 58.14 2dum s VAL 96 Cb -0.11 -1.96 -0.07 0.00 -1.53 0.00 0.00 36.38 32.72 2dum s VAL 96 CO -0.10 0.58 -0.00 0.00 -3.33 0.00 0.00 175.10 172.26 2dum s ARG 97 N -0.60 1.71 -0.06 1.54 1.70 -0.87 -4.94 118.95 117.43 2dum s ARG 97 Ca 0.09 -1.92 0.06 0.00 -0.47 0.00 0.00 55.73 53.48 2dum s ARG 97 Cb -0.11 -1.20 -0.01 0.00 -0.57 0.00 0.00 34.95 33.06 2dum s ARG 97 CO 0.00 -0.06 -0.23 0.99 -1.08 0.00 0.00 175.30 174.92 2dum s THR 98 N -3.02 1.92 -0.07 4.99 2.01 -1.26 0.31 115.64 120.52 2dum s THR 98 Ca 0.34 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 61.38 2dum s THR 98 Cb 0.07 -1.63 0.01 0.00 0.01 0.00 0.00 72.50 70.96 2dum s THR 98 CO 0.15 0.54 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.83 2dum s ILE 99 N -0.09 1.39 0.07 1.82 1.01 0.48 -4.85 121.20 121.03 2dum s ILE 99 Ca -0.05 -0.64 -0.09 0.00 0.00 0.00 0.00 60.65 59.87 2dum s ILE 99 Cb -0.14 -1.24 -0.06 0.00 0.01 0.00 0.00 42.46 41.04 2dum s ILE 99 CO 0.04 0.41 0.37 -0.63 0.00 0.00 0.00 174.94 175.13 2dum s ILE 100 N 0.47 5.13 -0.05 2.92 1.09 -1.26 -0.93 121.20 128.58 2dum s ILE 100 Ca -0.14 0.39 -0.20 0.00 -1.10 0.00 0.00 60.65 59.60 2dum s ILE 100 Cb -0.15 -3.63 0.04 0.00 -1.06 0.00 0.00 42.46 37.65 2dum s ILE 100 CO 0.05 0.30 0.44 -0.60 -0.10 0.00 0.00 174.94 175.02 2dum s ARG 101 N -1.90 0.76 -0.16 2.79 6.06 -0.33 -4.97 118.95 121.19 2dum s ARG 101 Ca 0.32 0.07 0.01 0.00 -2.50 0.00 0.00 55.73 53.62 2dum s ARG 101 Cb -0.14 0.35 0.03 0.00 0.06 0.00 0.00 34.95 35.25 2dum s ARG 101 CO 0.18 -0.21 -0.14 0.12 -2.50 0.00 0.00 175.30 172.75 2dum s PHE 102 N -1.04 2.29 -2.84 5.12 2.19 -1.26 0.12 117.98 122.56 2dum s PHE 102 Ca -0.11 -1.35 0.00 0.00 0.33 0.00 0.00 56.93 55.80 2dum s PHE 102 Cb -0.03 -1.64 0.00 0.00 -1.31 0.00 0.00 43.02 40.04 2dum s PHE 102 CO 0.05 -0.70 0.00 0.41 1.83 0.00 0.00 175.22 176.81 2dum n GLY 103 N 4.74 -0.57 3.75 13.12 0.00 -1.05 -4.99 105.19 120.19 2dum n GLY 103 Ca -0.17 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 2dum n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dum s ILE 104 N -4.00 4.68 0.00 -0.61 1.01 -1.26 -0.84 121.20 120.18 2dum s ILE 104 Ca 0.00 1.64 0.00 0.00 0.00 0.00 0.00 60.65 62.29 2dum s ILE 104 Cb 0.00 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.35 2dum s ILE 104 CO 0.00 0.39 0.75 -2.65 0.00 0.00 0.00 174.94 173.43 2dum n PRO 105 N 2.63 0.00 0.00 2.79 -0.02 -1.26 -0.41 135.00 138.73 2dum n PRO 105 Ca -0.03 0.42 0.23 0.00 -2.02 0.00 0.00 63.50 62.10 2dum n PRO 105 Cb 0.50 -1.25 0.70 0.00 -0.02 0.00 0.00 33.50 33.43 2dum n PRO 105 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 2dum h TRP 106 N 0.00 0.00 -0.21 6.00 5.08 -1.96 1.30 115.95 126.16 2dum h TRP 106 Ca 0.00 0.00 -0.19 0.00 1.08 0.00 0.00 58.89 59.78 2dum h TRP 106 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2dum h TRP 106 CO -0.09 0.00 -0.64 0.22 -1.28 0.00 0.00 178.44 176.65 2dum h ASP 107 N 0.00 0.86 1.12 0.11 3.58 -1.86 -2.84 116.42 117.38 2dum h ASP 107 Ca 0.28 -0.50 -0.17 0.00 0.42 0.00 0.00 57.03 57.05 2dum h ASP 107 Cb 1.47 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 42.24 2dum h ASP 107 CO -0.00 1.28 -0.91 -0.33 -2.88 0.00 0.00 179.24 176.40 2dum h GLU 108 N 0.55 0.00 0.30 0.28 4.39 0.44 -3.13 114.58 117.41 2dum h GLU 108 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2dum h GLU 108 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2dum h GLU 108 CO 0.13 0.71 -0.15 0.82 -1.16 0.00 0.00 179.01 179.37 2dum h ILE 109 N 0.00 0.73 -0.51 3.13 1.08 -0.79 0.37 117.51 121.52 2dum h ILE 109 Ca -0.04 -0.29 0.02 0.00 -0.39 0.00 0.00 64.86 64.16 2dum h ILE 109 Cb 1.63 0.89 -0.03 0.00 -3.07 0.00 0.00 36.82 36.24 2dum h ILE 109 CO 0.09 0.06 0.34 0.58 -0.69 0.00 0.00 178.15 178.53 2dum h VAL 110 N -0.56 1.09 0.58 1.67 2.07 -1.57 0.14 116.25 119.67 2dum h VAL 110 Ca -0.04 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 2dum h VAL 110 Cb 0.41 0.41 0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2dum h VAL 110 CO 0.07 0.11 -0.28 0.11 0.02 0.00 0.00 177.57 177.60 2dum h LYS 111 N 0.63 -0.75 -0.67 1.57 1.57 -1.46 -0.68 116.57 116.78 2dum h LYS 111 Ca 0.20 0.05 0.13 0.00 -1.87 0.00 0.00 60.65 59.16 2dum h LYS 111 Cb 0.02 0.17 -0.13 0.00 0.08 0.00 0.00 32.23 32.37 2dum h LYS 111 CO -0.05 -0.50 -0.17 0.28 -0.57 0.00 0.00 179.45 178.45 2dum h VAL 112 N -0.83 0.33 -0.66 0.50 2.07 0.21 0.48 116.25 118.35 2dum h VAL 112 Ca -0.08 -0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.54 2dum h VAL 112 Cb 0.60 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 30.62 2dum h VAL 112 CO 0.13 0.00 0.27 0.00 0.02 0.00 0.00 177.57 178.00 2dum h ALA 113 N 1.67 0.88 0.56 1.67 0.00 -0.55 0.48 119.26 123.97 2dum h ALA 113 Ca 0.32 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 2dum h ALA 113 Cb 0.49 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.31 2dum h ALA 113 CO -0.69 -0.15 -0.27 0.93 0.00 0.00 0.00 179.25 179.07 2dum h GLU 114 N 0.47 -0.73 0.00 0.00 4.39 0.31 -1.63 114.58 117.39 2dum h GLU 114 Ca 0.34 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.09 2dum h GLU 114 Cb 0.41 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2dum h GLU 114 CO -0.31 -0.42 0.00 0.39 -1.16 0.00 0.00 179.01 177.51 2dum n GLU 115 N -5.31 0.00 0.00 2.33 1.02 0.16 -0.48 120.64 118.35 2dum n GLU 115 Ca -0.11 0.85 0.03 0.00 -0.02 0.00 0.00 57.16 57.91 2dum n GLU 115 Cb 0.33 -1.48 0.19 0.00 -0.02 0.00 0.00 31.44 30.47 2dum n GLU 115 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2dum n GLU 116 N -2.66 0.22 -2.50 3.49 -0.58 0.06 -4.85 120.64 113.81 2dum n GLU 116 Ca 0.00 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.58 2dum n GLU 116 Cb 0.00 -1.46 -0.00 0.00 -0.57 0.00 0.00 31.44 29.41 2dum n GLU 116 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2dum n ASN 117 N -0.96 -4.75 -2.77 1.62 5.15 0.37 -4.92 115.26 109.00 2dum n ASN 117 Ca 0.05 0.07 -0.25 0.00 -0.60 0.00 0.00 54.58 53.84 2dum n ASN 117 Cb 0.02 -3.98 0.01 0.00 -0.53 0.00 0.00 39.78 35.30 2dum n ASN 117 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2dum n VAL 118 N -3.70 0.01 0.05 3.44 0.31 -1.10 -4.95 118.33 112.38 2dum n VAL 118 Ca -0.18 -0.33 0.09 0.00 -0.01 0.00 0.00 64.34 63.92 2dum n VAL 118 Cb 0.64 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.50 2dum n VAL 118 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2dum n SER 119 N 1.63 0.56 -3.52 4.52 3.41 0.52 -4.98 113.62 115.76 2dum n SER 119 Ca 0.05 0.22 -0.10 0.00 -0.26 0.00 0.00 58.87 58.78 2dum n SER 119 Cb 0.31 0.90 -0.03 0.00 -0.26 0.00 0.00 64.21 65.12 2dum n SER 119 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2dum s LEU 120 N -5.17 -0.41 -0.07 1.04 2.96 -1.23 -4.42 118.68 111.38 2dum s LEU 120 Ca -0.03 0.19 0.04 0.00 -0.22 0.00 0.00 54.13 54.11 2dum s LEU 120 Cb 0.11 2.07 -0.00 0.00 0.50 0.00 0.00 46.19 48.86 2dum s LEU 120 CO 0.83 -0.56 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.46 2dum s ILE 121 N -2.39 1.77 -0.33 6.68 1.01 -0.58 -1.51 121.20 125.85 2dum s ILE 121 Ca 0.01 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 2dum s ILE 121 Cb -0.01 -1.53 0.07 0.00 0.01 0.00 0.00 42.46 41.01 2dum s ILE 121 CO -0.04 0.50 0.06 -0.63 0.00 0.00 0.00 174.94 174.83 2dum s ILE 122 N 0.21 3.04 -0.15 2.92 1.01 -0.18 -1.35 121.20 126.70 2dum s ILE 122 Ca -0.11 -1.63 -0.06 0.00 0.00 0.00 0.00 60.65 58.84 2dum s ILE 122 Cb -0.15 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 2dum s ILE 122 CO 0.05 -0.31 0.07 -0.76 0.00 0.00 0.00 174.94 173.99 2dum s LEU 123 N 1.20 3.90 0.35 2.97 2.01 -0.91 -4.30 118.68 123.89 2dum s LEU 123 Ca -0.00 0.19 -0.28 0.00 0.01 0.00 0.00 54.13 54.05 2dum s LEU 123 Cb -0.21 -1.96 -0.10 0.00 0.01 0.00 0.00 46.19 43.94 2dum s LEU 123 CO -0.02 0.28 1.25 -2.16 1.01 0.00 0.00 176.35 176.71 2dum s PRO 124 N -0.25 4.29 0.11 1.29 0.04 -1.26 -0.57 135.00 138.65 2dum s PRO 124 Ca 0.08 2.08 -0.19 0.00 0.04 0.00 0.00 61.00 63.01 2dum s PRO 124 Cb -0.12 -2.98 -0.07 0.00 0.04 0.00 0.00 34.50 31.38 2dum s PRO 124 CO 0.01 -0.19 1.72 1.03 0.04 0.00 0.00 177.00 179.61 2dum h SER 125 N 3.21 0.28 -3.29 6.66 0.87 -1.33 -3.38 113.55 116.57 2dum h SER 125 Ca -0.49 -0.08 -0.73 0.00 -1.23 0.00 0.00 61.79 59.26 2dum h SER 125 Cb 1.23 -0.07 -0.22 0.00 -0.44 0.00 0.00 62.40 62.90 2dum h SER 125 CO 0.65 0.28 -0.27 -0.13 -0.53 0.00 0.00 176.83 176.83 2dum s ARG 126 N -5.89 3.00 0.14 2.24 0.52 -1.26 -2.64 118.95 115.06 2dum s ARG 126 Ca -0.13 -1.29 -0.31 0.00 -0.52 0.00 0.00 55.73 53.48 2dum s ARG 126 Cb 0.08 -4.13 -0.09 0.00 0.52 0.00 0.00 34.95 31.33 2dum s ARG 126 CO 0.70 -1.07 1.53 0.78 0.02 0.00 0.00 175.30 177.26 2dum h GLY 127 N 8.91 -0.98 0.00 -3.53 0.00 -1.92 -3.41 103.07 102.14 2dum h GLY 127 Ca -0.28 0.77 0.00 0.00 0.00 0.00 0.00 47.33 47.81 2dum h GLY 127 CO 0.90 -0.07 0.00 0.58 0.00 0.00 0.00 176.54 177.95 2dum n LYS 128 N -5.23 0.00 -2.92 4.80 2.85 -1.26 -4.43 118.16 111.97 2dum n LYS 128 Ca -0.01 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.07 2dum n LYS 128 Cb 0.29 -0.69 0.02 0.00 -0.65 0.00 0.00 35.03 34.00 2dum n LYS 128 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2dum s HIS 133 N -0.40 2.84 0.00 5.58 5.65 -1.26 -3.52 115.29 124.18 2dum s HIS 133 Ca 0.00 -0.28 0.00 0.00 0.25 0.00 0.00 55.06 55.03 2dum s HIS 133 Cb 0.00 -2.47 0.00 0.00 -1.18 0.00 0.00 32.58 28.93 2dum s HIS 133 CO 0.00 -0.54 0.00 -0.85 -0.65 0.00 0.00 174.74 172.70 2dum n GLU 134 N -1.99 0.00 -3.03 2.88 0.28 -1.26 -4.81 120.64 112.71 2dum n GLU 134 Ca 0.08 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.67 2dum n GLU 134 Cb 0.59 -1.15 -0.06 0.00 1.43 0.00 0.00 31.44 32.26 2dum n GLU 134 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 2dum s PHE 135 N -0.20 3.26 -0.04 -1.84 2.19 -1.26 -5.05 117.98 115.03 2dum s PHE 135 Ca 0.00 0.85 -0.28 0.00 0.33 0.00 0.00 56.93 57.83 2dum s PHE 135 Cb 0.00 -2.98 -0.03 0.00 -1.31 0.00 0.00 43.02 38.71 2dum s PHE 135 CO 0.00 -0.41 0.91 -0.51 1.83 0.00 0.00 175.22 177.05 2dum s LEU 136 N 2.67 4.33 1.02 6.12 1.02 -1.26 -4.76 118.68 127.82 2dum s LEU 136 Ca 0.29 1.51 -0.18 0.00 0.02 0.00 0.00 54.13 55.77 2dum s LEU 136 Cb -0.15 -3.44 -0.01 0.00 0.02 0.00 0.00 46.19 42.60 2dum s LEU 136 CO 0.09 -0.27 -0.27 0.61 0.02 0.00 0.00 176.35 176.53 2dum n GLY 137 N 3.01 -2.83 0.08 -3.19 0.00 -1.08 -4.82 105.19 96.36 2dum n GLY 137 Ca 0.05 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 2dum n GLY 137 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dum h SER 138 N -1.53 0.03 1.09 1.61 4.64 -1.96 -2.86 113.55 114.57 2dum h SER 138 Ca -0.46 -0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 60.68 2dum h SER 138 Cb 1.33 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.39 2dum h SER 138 CO 0.31 1.05 -0.96 0.71 -0.87 0.00 0.00 176.83 177.07 2dum h THR 139 N 0.01 0.55 0.46 2.95 1.35 -1.96 -1.77 112.91 114.49 2dum h THR 139 Ca -0.21 -1.91 -0.02 0.00 -0.55 0.00 0.00 66.41 63.72 2dum h THR 139 Cb 1.95 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 70.48 2dum h THR 139 CO 0.10 0.31 -0.22 1.62 -0.25 0.00 0.00 175.52 177.08 2dum h VAL 140 N 0.00 0.00 -1.41 6.82 3.04 -1.90 -2.15 116.25 120.65 2dum h VAL 140 Ca -0.08 -0.36 0.45 0.00 -1.01 0.00 0.00 66.70 65.70 2dum h VAL 140 Cb 1.41 0.00 -0.11 0.00 -2.01 0.00 0.00 31.29 30.59 2dum h VAL 140 CO 0.05 0.00 0.95 0.80 -1.01 0.00 0.00 177.57 178.35 2dum n MET 141 N -4.66 -0.02 0.04 4.17 1.56 -1.08 -1.10 117.12 116.02 2dum n MET 141 Ca -0.08 1.07 -0.21 0.00 -0.27 0.00 0.00 57.70 58.21 2dum n MET 141 Cb 0.24 -2.21 -0.14 0.00 2.15 0.00 0.00 33.22 33.26 2dum n MET 141 CO 0.00 0.00 0.00 -0.09 -0.73 0.00 0.00 175.97 175.15 2dum h ARG 142 N 0.00 0.31 -0.48 2.12 9.65 -1.16 -3.25 114.38 121.58 2dum h ARG 142 Ca 0.80 -0.53 -0.02 0.00 -1.10 0.00 0.00 59.98 59.13 2dum h ARG 142 Cb 2.81 0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 31.56 2dum h ARG 142 CO -0.28 1.23 0.23 -0.39 2.80 0.00 0.00 179.97 183.55 2dum h VAL 143 N 0.08 1.16 0.00 0.20 -1.51 -1.00 -0.29 116.25 114.90 2dum h VAL 143 Ca -0.38 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 64.63 2dum h VAL 143 Cb 2.06 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 2dum h VAL 143 CO 0.13 0.19 0.00 -0.11 -1.23 0.00 0.00 177.57 176.55 2dum n LEU 144 N -4.39 0.44 0.00 4.19 0.00 -0.26 -0.76 117.00 116.22 2dum n LEU 144 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 56.01 55.83 2dum n LEU 144 Cb 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 43.42 43.35 2dum n LEU 144 CO 0.37 0.10 0.00 -1.14 0.00 0.00 0.00 177.39 176.72 2dum n ARG 145 N 0.35 0.00 0.09 1.96 0.00 -1.14 -4.82 116.66 113.09 2dum n ARG 145 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 57.98 2dum n ARG 145 Cb 0.10 0.00 0.42 0.00 0.00 0.00 0.00 32.46 32.99 2dum n ARG 145 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2dum n LYS 146 N -0.79 0.22 -3.94 -0.14 4.76 -0.13 -4.92 118.16 113.22 2dum n LYS 146 Ca 0.00 0.17 -0.34 0.00 -2.87 0.00 0.00 58.31 55.27 2dum n LYS 146 Cb 0.00 -1.75 -0.06 0.00 -1.84 0.00 0.00 35.03 31.39 2dum n LYS 146 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2dum s THR 147 N -3.09 5.32 -0.32 -0.18 -1.32 0.06 -5.01 115.64 111.10 2dum s THR 147 Ca 0.11 -0.11 0.21 0.00 -1.21 0.00 0.00 61.69 60.69 2dum s THR 147 Cb 0.13 -3.43 0.18 0.00 -1.51 0.00 0.00 72.50 67.87 2dum s THR 147 CO 0.59 0.41 1.39 0.11 -2.21 0.00 0.00 174.62 174.91 2dum h LYS 148 N 4.16 0.00 -7.32 7.08 1.57 -1.91 -3.47 116.57 116.69 2dum h LYS 148 Ca -0.50 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.78 2dum h LYS 148 Cb 1.20 0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.65 2dum h LYS 148 CO 0.65 0.12 0.27 0.15 -0.57 0.00 0.00 179.45 180.06 2dum s LYS 149 N -3.18 1.53 0.50 3.15 -0.14 -1.26 -5.04 119.74 115.31 2dum s LYS 149 Ca 0.04 0.99 -0.03 0.00 -1.36 0.00 0.00 55.97 55.61 2dum s LYS 149 Cb 0.07 -1.83 -0.00 0.00 -1.68 0.00 0.00 37.83 34.39 2dum s LYS 149 CO 0.72 -2.10 0.76 -2.14 -0.76 0.00 0.00 175.35 171.84 2dum s PRO 150 N -4.89 3.08 -0.04 -1.68 0.02 -1.26 -4.96 135.00 125.26 2dum s PRO 150 Ca 0.63 -0.23 -0.08 0.00 0.02 0.00 0.00 61.00 61.33 2dum s PRO 150 Cb -0.18 -2.44 0.01 0.00 0.02 0.00 0.00 34.50 31.91 2dum s PRO 150 CO 0.57 -0.40 0.20 0.14 -0.33 0.00 0.00 177.00 177.17 2dum s VAL 151 N -2.72 0.04 -0.15 3.83 -7.23 -1.26 -1.53 120.40 111.38 2dum s VAL 151 Ca 0.50 -0.31 -0.01 0.00 -1.81 0.00 0.00 61.98 60.35 2dum s VAL 151 Cb -0.10 -0.38 0.04 0.00 0.56 0.00 0.00 36.38 36.49 2dum s VAL 151 CO 0.41 -0.17 -0.05 -0.22 -0.31 0.00 0.00 175.10 174.77 2dum s LEU 152 N -0.60 1.37 -0.14 1.32 2.96 -0.46 -4.94 118.68 118.18 2dum s LEU 152 Ca -0.07 -0.53 -0.09 0.00 -0.22 0.00 0.00 54.13 53.22 2dum s LEU 152 Cb -0.04 -0.82 -0.05 0.00 0.50 0.00 0.00 46.19 45.78 2dum s LEU 152 CO 0.01 -0.18 0.17 -0.63 -1.32 0.00 0.00 176.35 174.40 2dum s ILE 153 N 1.70 5.42 0.03 6.68 1.09 -1.26 -2.15 121.20 132.72 2dum s ILE 153 Ca 0.02 0.28 0.06 0.00 -1.10 0.00 0.00 60.65 59.91 2dum s ILE 153 Cb -0.14 -3.47 -0.02 0.00 -1.06 0.00 0.00 42.46 37.77 2dum s ILE 153 CO -0.08 0.53 -0.17 0.27 -0.10 0.00 0.00 174.94 175.40 2dum s ILE 154 N -0.40 1.33 0.00 2.92 -4.36 0.26 -4.90 121.20 116.04 2dum s ILE 154 Ca 0.13 -1.03 0.00 0.00 -0.26 0.00 0.00 60.65 59.49 2dum s ILE 154 Cb -0.12 -1.17 0.00 0.00 1.25 0.00 0.00 42.46 42.42 2dum s ILE 154 CO 0.03 0.12 0.00 0.29 0.24 0.00 0.00 174.94 175.61 2dum n LYS 155 N 1.98 0.00 -4.41 0.37 5.02 -1.26 -0.89 118.16 118.97 2dum n LYS 155 Ca -0.17 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 55.92 2dum n LYS 155 Cb 0.54 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.45 2dum n LYS 155 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2dum s GLU 156 N 1.35 1.58 0.95 1.97 2.56 -1.26 -4.71 118.70 121.14 2dum s GLU 156 Ca 0.00 -1.88 -0.13 0.00 0.00 0.00 0.00 54.97 52.96 2dum s GLU 156 Cb 0.00 -0.62 0.16 0.00 2.00 0.00 0.00 34.13 35.67 2dum s GLU 156 CO 0.00 -0.25 1.15 0.08 -0.56 0.00 0.00 175.26 175.68 2dum s VAL 157 N -3.46 1.96 0.00 3.70 1.01 -1.26 -5.05 120.40 117.30 2dum s VAL 157 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2dum s VAL 157 Cb 0.08 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.73 2dum s VAL 157 CO 0.15 0.00 0.00 0.47 0.00 0.00 0.00 175.10 175.72 2dum n ASP 158 N -3.90 -0.01 -0.78 3.32 8.00 -1.26 -5.20 116.55 116.72 2dum n ASP 158 Ca 0.08 -0.04 0.10 0.00 0.71 0.00 0.00 54.79 55.64 2dum n ASP 158 Cb 0.59 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.77 2dum n ASP 158 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19