#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 0.83 -0.20 1.12 0.99 -1.26 -4.30 117.46 114.64 2dum n PHE 5 Ca 0.00 -0.75 -0.05 0.00 -0.00 0.00 0.00 57.45 56.65 2dum n PHE 5 Cb 0.00 -0.23 0.05 0.00 -1.00 0.00 0.00 39.48 38.30 2dum n PHE 5 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.76 176.83 2dum h ARG 6 N 1.97 0.71 -3.12 -1.08 0.11 -1.89 0.16 114.38 111.25 2dum h ARG 6 Ca 0.00 -0.04 -0.59 0.00 0.10 0.00 0.00 59.98 59.45 2dum h ARG 6 Cb 1.23 -0.16 -0.40 0.00 1.11 0.00 0.00 29.97 31.75 2dum h ARG 6 CO 0.16 0.47 -0.77 0.21 0.10 0.00 0.00 179.97 180.14 2dum s LYS 7 N -6.14 0.86 0.05 0.08 2.20 -1.26 -0.80 119.74 114.74 2dum s LYS 7 Ca -0.13 -1.43 0.01 0.00 -0.36 0.00 0.00 55.97 54.06 2dum s LYS 7 Cb 0.13 -1.94 -0.04 0.00 -1.51 0.00 0.00 37.83 34.48 2dum s LYS 7 CO 0.75 -1.09 0.15 0.14 -0.36 0.00 0.00 175.35 174.93 2dum s VAL 8 N 1.08 5.03 -0.41 4.02 -7.23 0.16 -2.37 120.40 120.69 2dum s VAL 8 Ca 0.14 -0.49 -0.10 0.00 -1.81 0.00 0.00 61.98 59.72 2dum s VAL 8 Cb -0.21 -3.42 0.06 0.00 0.56 0.00 0.00 36.38 33.38 2dum s VAL 8 CO -0.12 0.18 0.25 -0.22 -0.31 0.00 0.00 175.10 174.88 2dum s LEU 9 N -2.31 5.04 -0.30 1.32 0.20 -0.25 -0.04 118.68 122.34 2dum s LEU 9 Ca 0.31 -1.35 -0.10 0.00 0.69 0.00 0.00 54.13 53.68 2dum s LEU 9 Cb -0.13 -2.00 -0.02 0.00 -0.43 0.00 0.00 46.19 43.61 2dum s LEU 9 CO 0.23 -0.50 0.17 0.12 -0.29 0.00 0.00 176.35 176.09 2dum s PHE 10 N 1.47 3.19 -0.26 5.38 2.19 -0.52 -0.81 117.98 128.62 2dum s PHE 10 Ca 0.02 -0.27 -0.08 0.00 0.33 0.00 0.00 56.93 56.93 2dum s PHE 10 Cb -0.22 -2.37 -0.03 0.00 -1.31 0.00 0.00 43.02 39.09 2dum s PHE 10 CO 0.04 -0.34 0.10 -1.25 1.83 0.00 0.00 175.22 175.60 2dum s PRO 11 N 1.68 3.70 0.23 10.12 0.04 -1.24 -1.69 135.00 147.84 2dum s PRO 11 Ca 0.06 -0.46 -0.06 0.00 0.04 0.00 0.00 61.00 60.58 2dum s PRO 11 Cb -0.17 -3.41 -0.06 0.00 0.04 0.00 0.00 34.50 30.91 2dum s PRO 11 CO 0.08 -0.20 0.50 -0.08 0.04 0.00 0.00 177.00 177.34 2dum s THR 12 N 1.64 5.04 -0.07 1.26 -1.32 -0.64 -4.80 115.64 116.76 2dum s THR 12 Ca 0.06 0.14 0.10 0.00 -1.21 0.00 0.00 61.69 60.79 2dum s THR 12 Cb -0.15 -3.67 0.15 0.00 -1.51 0.00 0.00 72.50 67.31 2dum s THR 12 CO 0.05 -0.16 1.04 -0.90 -2.21 0.00 0.00 174.62 172.45 2dum n ASP 13 N -0.46 1.51 -1.34 8.08 5.75 -1.26 -4.13 116.55 124.70 2dum n ASP 13 Ca -0.01 -2.50 -0.17 0.00 -0.01 0.00 0.00 54.79 52.10 2dum n ASP 13 Cb 0.53 -0.28 -0.06 0.00 -1.03 0.00 0.00 41.12 40.28 2dum n ASP 13 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2dum n PHE 14 N -0.83 -0.09 -0.35 2.11 0.99 -1.26 -4.99 117.46 113.05 2dum n PHE 14 Ca 0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.24 2dum n PHE 14 Cb 0.59 -2.93 0.28 0.00 -1.00 0.00 0.00 39.48 36.43 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 -0.73 -3.05 0.07 4.37 2.88 -1.26 -4.84 113.62 111.05 2dum n SER 15 Ca -0.17 -0.54 0.02 0.00 -1.33 0.00 0.00 58.87 56.85 2dum n SER 15 Cb 0.56 -1.12 -0.04 0.00 -0.75 0.00 0.00 64.21 62.85 2dum n SER 15 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2dum h GLU 16 N -3.21 0.00 0.18 -1.46 5.08 -1.94 -2.33 114.58 110.90 2dum h GLU 16 Ca -0.52 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.54 2dum h GLU 16 Cb 1.34 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.60 2dum h GLU 16 CO 0.37 0.30 -1.42 0.78 -1.00 0.00 0.00 179.01 178.04 2dum h GLY 17 N 3.70 0.43 -0.51 -3.84 0.00 -1.92 -1.13 103.07 99.79 2dum h GLY 17 Ca -0.10 -1.11 0.17 0.00 0.00 0.00 0.00 47.33 46.29 2dum h GLY 17 CO 0.04 0.97 -0.10 0.00 0.00 0.00 0.00 176.54 177.45 2dum h ALA 18 N 0.07 0.66 -0.06 3.60 0.00 -1.79 1.92 119.26 123.67 2dum h ALA 18 Ca -0.27 0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 2dum h ALA 18 Cb 1.95 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 20.26 2dum h ALA 18 CO 0.17 -0.43 -0.80 1.88 0.00 0.00 0.00 179.25 180.08 2dum h TYR 19 N 0.04 0.61 0.00 0.00 0.05 -1.31 -3.20 116.97 113.15 2dum h TYR 19 Ca 0.41 -0.29 0.00 0.00 0.05 0.00 0.00 58.73 58.90 2dum h TYR 19 Cb 0.68 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.33 2dum h TYR 19 CO -0.54 1.07 0.00 -0.09 -1.05 0.00 0.00 178.16 177.56 2dum h ARG 20 N 0.29 0.00 -0.84 4.88 9.65 -0.11 -2.86 114.38 125.39 2dum h ARG 20 Ca -0.05 0.00 0.11 0.00 -1.10 0.00 0.00 59.98 58.95 2dum h ARG 20 Cb 1.39 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.89 2dum h ARG 20 CO 0.14 0.00 0.47 0.00 2.80 0.00 0.00 179.97 183.38 2dum h ALA 21 N 2.09 1.23 0.00 2.80 0.00 0.30 -1.73 119.26 123.94 2dum h ALA 21 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2dum h ALA 21 Cb 0.87 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2dum h ALA 21 CO 0.00 0.04 -0.18 0.28 0.00 0.00 0.00 179.25 179.39 2dum h VAL 22 N 0.74 0.35 0.00 0.00 2.07 -1.60 0.18 116.25 117.99 2dum h VAL 22 Ca 0.42 -1.25 -0.29 0.00 0.82 0.00 0.00 66.70 66.41 2dum h VAL 22 Cb 0.47 1.96 -0.05 0.00 -1.52 0.00 0.00 31.29 32.16 2dum h VAL 22 CO -0.29 0.18 -1.70 -1.84 0.02 0.00 0.00 177.57 173.94 2dum n GLU 23 N -3.20 0.63 -0.09 1.57 0.28 -1.16 -2.34 120.64 116.33 2dum n GLU 23 Ca 0.02 0.29 -0.06 0.00 -0.16 0.00 0.00 57.16 57.25 2dum n GLU 23 Cb 0.52 -1.79 0.00 0.00 1.43 0.00 0.00 31.44 31.60 2dum n GLU 23 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2dum h VAL 24 N 0.00 0.75 -0.51 3.84 2.07 -0.80 -1.21 116.25 120.38 2dum h VAL 24 Ca -0.28 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2dum h VAL 24 Cb 2.00 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 2dum h VAL 24 CO 0.08 0.01 0.22 0.15 0.02 0.00 0.00 177.57 178.05 2dum h PHE 25 N 0.07 0.77 -0.25 1.57 3.57 -0.73 -1.72 116.94 120.21 2dum h PHE 25 Ca 0.15 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.65 2dum h PHE 25 Cb 0.21 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 2dum h PHE 25 CO -0.24 0.63 -0.05 1.49 -2.23 0.00 0.00 178.31 177.91 2dum h GLU 26 N 0.69 0.01 0.48 1.11 4.22 -0.97 -0.35 114.58 119.78 2dum h GLU 26 Ca 0.17 -0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.59 2dum h GLU 26 Cb 0.18 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2dum h GLU 26 CO -0.02 0.01 -0.23 0.87 -2.18 0.00 0.00 179.01 177.46 2dum h LYS 27 N 0.01 -0.62 -0.73 1.92 1.57 -0.97 -3.34 116.57 114.42 2dum h LYS 27 Ca 0.12 0.04 0.13 0.00 -1.87 0.00 0.00 60.65 59.07 2dum h LYS 27 Cb 0.18 0.14 -0.13 0.00 0.08 0.00 0.00 32.23 32.50 2dum h LYS 27 CO -0.25 -0.35 -0.24 0.54 -0.57 0.00 0.00 179.45 178.58 2dum n ARG 28 N -5.22 -0.12 -4.22 3.15 5.12 -0.67 -4.69 116.66 110.00 2dum n ARG 28 Ca -0.09 1.12 -0.35 0.00 -1.93 0.00 0.00 57.85 56.60 2dum n ARG 28 Cb 0.29 -1.67 -0.08 0.00 -1.16 0.00 0.00 32.46 29.83 2dum n ARG 28 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 2dum s ASN 29 N -5.23 5.56 -0.42 0.55 2.47 -0.14 -5.06 114.94 112.68 2dum s ASN 29 Ca -0.10 0.21 0.04 0.00 0.42 0.00 0.00 52.86 53.43 2dum s ASN 29 Cb 0.17 -1.62 0.17 0.00 -1.45 0.00 0.00 41.25 38.52 2dum s ASN 29 CO 0.54 0.36 0.37 0.29 -3.72 0.00 0.00 177.10 174.94 2dum n LYS 30 N 1.91 0.22 -3.64 0.43 5.02 -1.26 -4.76 118.16 116.07 2dum n LYS 30 Ca -0.18 -3.11 -0.15 0.00 -2.02 0.00 0.00 58.31 52.85 2dum n LYS 30 Cb 0.54 -1.64 -0.07 0.00 -0.02 0.00 0.00 35.03 33.83 2dum n LYS 30 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2dum s MET 31 N 0.06 0.83 -0.24 1.97 1.75 -1.26 -5.13 119.30 117.27 2dum s MET 31 Ca 0.33 0.21 -0.11 0.00 -1.25 0.00 0.00 55.69 54.87 2dum s MET 31 Cb 0.04 0.39 -0.05 0.00 2.84 0.00 0.00 34.83 38.05 2dum s MET 31 CO -0.19 -0.22 0.16 -2.00 -0.65 0.00 0.00 175.02 172.12 2dum s GLU 32 N -0.92 4.06 -0.02 4.11 2.12 -1.26 -4.77 118.70 122.01 2dum s GLU 32 Ca -0.10 -0.27 -0.18 0.00 0.36 0.00 0.00 54.97 54.78 2dum s GLU 32 Cb -0.03 -3.55 -0.05 0.00 0.26 0.00 0.00 34.13 30.76 2dum s GLU 32 CO 0.06 0.03 0.52 0.08 -0.54 0.00 0.00 175.26 175.41 2dum s VAL 33 N 1.14 4.98 0.06 3.70 1.01 -1.03 -4.88 120.40 125.38 2dum s VAL 33 Ca 0.08 1.08 -0.24 0.00 0.00 0.00 0.00 61.98 62.89 2dum s VAL 33 Cb -0.14 -3.85 -0.16 0.00 0.00 0.00 0.00 36.38 32.23 2dum s VAL 33 CO 0.05 0.45 1.62 1.23 0.00 0.00 0.00 175.10 178.45 2dum h GLY 34 N 5.55 -0.06 -4.57 4.51 0.00 -0.92 0.54 103.07 108.11 2dum h GLY 34 Ca -0.46 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 2dum h GLY 34 CO 0.68 -0.02 0.28 1.85 0.00 0.00 0.00 176.54 179.33 2dum s GLU 35 N -5.73 0.83 -0.06 4.80 2.12 0.02 -1.75 118.70 118.92 2dum s GLU 35 Ca -0.14 0.49 0.03 0.00 0.36 0.00 0.00 54.97 55.72 2dum s GLU 35 Cb 0.05 0.40 0.01 0.00 0.26 0.00 0.00 34.13 34.84 2dum s GLU 35 CO 0.66 -0.20 -0.15 0.54 -0.54 0.00 0.00 175.26 175.57 2dum s VAL 36 N -0.52 1.31 -0.20 3.70 0.11 -0.30 0.38 120.40 124.88 2dum s VAL 36 Ca -0.04 -0.60 -0.17 0.00 -2.93 0.00 0.00 61.98 58.24 2dum s VAL 36 Cb -0.02 -1.17 -0.04 0.00 -1.53 0.00 0.00 36.38 33.62 2dum s VAL 36 CO 0.03 0.39 0.45 -0.63 -3.33 0.00 0.00 175.10 172.01 2dum s ILE 37 N 0.48 5.16 -0.17 7.04 1.01 0.95 -1.18 121.20 134.49 2dum s ILE 37 Ca -0.13 0.81 -0.18 0.00 0.00 0.00 0.00 60.65 61.15 2dum s ILE 37 Cb -0.15 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 2dum s ILE 37 CO 0.04 0.23 0.51 -0.22 0.00 0.00 0.00 174.94 175.50 2dum s LEU 38 N 1.39 4.19 -0.06 2.97 2.96 0.55 -1.44 118.68 129.25 2dum s LEU 38 Ca 0.21 0.72 0.03 0.00 -0.22 0.00 0.00 54.13 54.87 2dum s LEU 38 Cb -0.15 -2.71 0.01 0.00 0.50 0.00 0.00 46.19 43.84 2dum s LEU 38 CO 0.09 -0.12 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.64 2dum s LEU 39 N 1.30 1.73 -0.09 -0.68 2.96 -0.68 -0.56 118.68 122.65 2dum s LEU 39 Ca 0.25 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 2dum s LEU 39 Cb -0.15 -0.84 0.01 0.00 0.50 0.00 0.00 46.19 45.71 2dum s LEU 39 CO 0.10 0.07 -0.17 -2.28 -1.32 0.00 0.00 176.35 172.75 2dum s HIS 40 N 0.46 1.97 -0.24 5.38 5.65 -0.68 -1.63 115.29 126.21 2dum s HIS 40 Ca -0.11 -0.85 -0.04 0.00 0.25 0.00 0.00 55.06 54.31 2dum s HIS 40 Cb -0.14 -1.39 0.00 0.00 -1.18 0.00 0.00 32.58 29.87 2dum s HIS 40 CO 0.03 -0.41 -0.02 0.08 -0.65 0.00 0.00 174.74 173.77 2dum s VAL 41 N 0.73 3.41 -0.09 0.89 1.01 -1.26 -1.42 120.40 123.66 2dum s VAL 41 Ca -0.12 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 2dum s VAL 41 Cb -0.16 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 2dum s VAL 41 CO 0.03 0.31 1.29 -0.63 0.00 0.00 0.00 175.10 176.10 2dum s ILE 42 N 1.45 4.12 -1.09 2.22 1.01 0.20 -4.84 121.20 124.29 2dum s ILE 42 Ca 0.04 1.42 -0.21 0.00 0.00 0.00 0.00 60.65 61.89 2dum s ILE 42 Cb -0.15 -3.91 0.06 0.00 0.01 0.00 0.00 42.46 38.46 2dum s ILE 42 CO -0.02 -0.06 1.51 -0.62 0.00 0.00 0.00 174.94 175.74 2dum s ASP 43 N 1.90 6.60 -0.72 3.58 3.68 -1.26 -1.73 116.67 128.71 2dum s ASP 43 Ca 0.58 -1.74 -0.26 0.00 2.13 0.00 0.00 52.55 53.26 2dum s ASP 43 Cb -0.25 -2.56 -0.07 0.00 -1.45 0.00 0.00 42.92 38.59 2dum s ASP 43 CO 0.20 -1.40 2.15 -0.70 0.13 0.00 0.00 175.17 175.55 2dum s GLU 44 N 4.64 2.21 0.00 4.34 2.12 -0.55 0.73 118.70 132.20 2dum s GLU 44 Ca 0.47 0.47 0.00 0.00 0.36 0.00 0.00 54.97 56.27 2dum s GLU 44 Cb 0.01 -4.74 0.00 0.00 0.26 0.00 0.00 34.13 29.66 2dum s GLU 44 CO -0.05 -3.51 0.00 0.41 -0.54 0.00 0.00 175.26 171.56 2dum n GLY 45 N 6.41 0.96 0.04 -1.50 0.00 -1.26 -4.62 105.19 105.22 2dum n GLY 45 Ca 0.37 -0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 0.46 0.21 2.61 -1.04 0.22 -2.03 114.28 114.71 2dum n THR 46 Ca 0.00 -0.59 0.06 0.00 -2.04 0.00 0.00 64.05 61.48 2dum n THR 46 Cb 0.00 -0.15 0.53 0.00 -1.82 0.00 0.00 70.33 68.89 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 0.06 0.00 -4.42 5.85 -1.62 0.16 115.31 115.34 2dum h LEU 47 Ca -0.18 -0.01 -0.22 0.00 0.84 0.00 0.00 57.88 58.31 2dum h LEU 47 Cb 1.38 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.35 2dum h LEU 47 CO 0.01 0.16 -1.32 -0.33 -0.34 0.00 0.00 178.44 176.62 2dum h GLU 48 N 0.07 0.00 -0.47 1.25 4.39 -1.80 -2.44 114.58 115.58 2dum h GLU 48 Ca 0.02 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 2dum h GLU 48 Cb 0.19 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 2dum h GLU 48 CO 0.01 0.57 0.06 0.93 -1.16 0.00 0.00 179.01 179.42 2dum h GLU 49 N 0.00 0.80 -0.00 2.33 5.08 -0.77 -2.10 114.58 119.92 2dum h GLU 49 Ca -0.15 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2dum h GLU 49 Cb 1.78 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.94 2dum h GLU 49 CO 0.08 0.82 -0.01 1.28 -1.00 0.00 0.00 179.01 180.18 2dum n LEU 50 N -4.42 0.19 -0.04 1.33 4.77 0.49 -2.08 117.00 117.25 2dum n LEU 50 Ca 0.01 -0.02 -0.19 0.00 -0.03 0.00 0.00 56.01 55.78 2dum n LEU 50 Cb 0.27 -0.04 -0.13 0.00 -2.33 0.00 0.00 43.42 41.18 2dum n LEU 50 CO 0.41 0.03 -0.07 -0.03 -1.33 0.00 0.00 177.39 176.40 2dum h MET 51 N 0.29 0.12 -0.95 3.23 4.05 -0.88 -3.31 114.93 117.48 2dum h MET 51 Ca 0.00 -0.20 0.22 0.00 -0.28 0.00 0.00 59.70 59.44 2dum h MET 51 Cb 0.11 0.07 -0.18 0.00 -0.80 0.00 0.00 31.60 30.80 2dum h MET 51 CO 0.00 1.10 -0.10 -0.44 0.23 0.00 0.00 176.91 177.69 2dum h ASP 52 N -0.71 -0.67 -0.29 1.39 3.45 -1.25 -3.08 116.42 115.28 2dum h ASP 52 Ca -0.18 0.27 -0.17 0.00 0.43 0.00 0.00 57.03 57.39 2dum h ASP 52 Cb 1.38 0.52 -0.09 0.00 -0.56 0.00 0.00 39.33 40.58 2dum h ASP 52 CO -0.00 -0.32 0.21 0.61 -1.57 0.00 0.00 179.24 178.17 2dum n GLY 53 N -1.54 2.99 0.00 2.75 0.00 -0.88 -5.12 105.19 103.39 2dum n GLY 53 Ca 0.18 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2dum n GLY 53 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2dum n TYR 54 N 0.32 0.00 -3.03 1.61 4.02 -1.17 -5.00 117.16 113.92 2dum n TYR 54 Ca 0.17 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.82 2dum n TYR 54 Cb 0.73 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.01 2dum n TYR 54 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 2dum n LYS 66 N 0.00 2.64 -1.44 -0.72 3.00 -1.26 -5.00 118.16 115.38 2dum n LYS 66 Ca 0.00 -4.49 -0.33 0.00 -0.00 0.00 0.00 58.31 53.49 2dum n LYS 66 Cb 0.00 -2.10 0.05 0.00 0.00 0.00 0.00 35.03 32.98 2dum n LYS 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2dum n ASP 67 N -0.04 7.40 0.07 3.14 10.43 -1.26 -3.74 116.55 132.54 2dum n ASP 67 Ca 0.29 -3.66 -0.04 0.00 2.57 0.00 0.00 54.79 53.96 2dum n ASP 67 Cb 0.46 -1.04 -0.08 0.00 1.84 0.00 0.00 41.12 42.30 2dum n ASP 67 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 2dum h ILE 68 N 1.35 1.26 -1.06 0.53 1.08 -2.00 -3.35 117.51 115.33 2dum h ILE 68 Ca 0.54 -2.88 0.29 0.00 -0.39 0.00 0.00 64.86 62.42 2dum h ILE 68 Cb 0.60 2.60 -0.12 0.00 -3.07 0.00 0.00 36.82 36.84 2dum h ILE 68 CO 1.38 0.72 0.66 0.07 -0.69 0.00 0.00 178.15 180.29 2dum h LYS 69 N 0.00 0.38 0.20 2.37 5.09 -1.98 0.49 116.57 123.12 2dum h LYS 69 Ca -0.06 -0.02 -0.31 0.00 0.09 0.00 0.00 60.65 60.34 2dum h LYS 69 Cb 1.69 -0.09 0.03 0.00 0.10 0.00 0.00 32.23 33.96 2dum h LYS 69 CO 0.10 0.25 -1.38 1.49 -2.09 0.00 0.00 179.45 177.82 2dum h GLU 70 N 0.39 0.50 -0.96 0.07 4.57 -1.88 1.08 114.58 118.35 2dum h GLU 70 Ca 0.66 -0.80 0.19 0.00 -1.18 0.00 0.00 59.36 58.23 2dum h GLU 70 Cb 1.60 0.29 -0.11 0.00 -0.16 0.00 0.00 28.75 30.37 2dum h GLU 70 CO -0.41 1.38 0.56 -0.22 -1.18 0.00 0.00 179.01 179.13 2dum h LYS 71 N 0.16 0.67 -0.04 1.92 1.63 -1.54 0.49 116.57 119.86 2dum h LYS 71 Ca -0.21 -0.04 -0.17 0.00 -0.85 0.00 0.00 60.65 59.38 2dum h LYS 71 Cb 2.07 -0.15 0.01 0.00 -0.60 0.00 0.00 32.23 33.56 2dum h LYS 71 CO 0.25 0.44 -0.62 -0.07 -3.45 0.00 0.00 179.45 176.00 2dum h LEU 72 N 0.69 0.62 -0.31 5.20 4.07 0.50 -2.08 115.31 124.00 2dum h LEU 72 Ca 0.56 -0.71 -0.07 0.00 0.08 0.00 0.00 57.88 57.74 2dum h LEU 72 Cb 0.90 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.44 2dum h LEU 72 CO -0.40 1.24 -0.09 0.50 -1.08 0.00 0.00 178.44 178.61 2dum h LYS 73 N 0.06 0.61 0.07 1.13 3.64 0.15 -0.47 116.57 121.75 2dum h LYS 73 Ca -0.07 -0.24 -0.27 0.00 -1.27 0.00 0.00 60.65 58.81 2dum h LYS 73 Cb 1.30 -0.03 0.02 0.00 -0.41 0.00 0.00 32.23 33.11 2dum h LYS 73 CO 0.13 0.80 -1.13 1.05 -2.27 0.00 0.00 179.45 178.03 2dum h GLU 74 N 0.37 0.51 0.00 1.90 4.11 0.01 1.20 114.58 122.69 2dum h GLU 74 Ca 0.08 -0.64 -0.06 0.00 0.07 0.00 0.00 59.36 58.81 2dum h GLU 74 Cb 0.58 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2dum h GLU 74 CO 0.03 1.26 -0.27 1.49 0.07 0.00 0.00 179.01 181.60 2dum h GLU 75 N 0.24 0.00 0.00 1.06 4.57 -1.43 -0.70 114.58 118.32 2dum h GLU 75 Ca -0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 2dum h GLU 75 Cb 1.79 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.38 2dum h GLU 75 CO 0.21 0.27 0.00 0.00 -1.18 0.00 0.00 179.01 178.30 2dum n ALA 76 N -2.31 -0.19 0.09 2.92 0.00 -0.19 -2.70 120.51 118.13 2dum n ALA 76 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.47 2dum n ALA 76 Cb 0.39 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.04 2dum n ALA 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dum n SER 77 N -1.17 0.20 0.00 0.00 2.88 0.41 -1.19 113.62 114.74 2dum n SER 77 Ca 0.00 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2dum n SER 77 Cb 0.00 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 2dum n SER 77 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2dum n ARG 78 N -1.73 0.00 -0.13 -1.46 1.74 -0.29 -3.03 116.66 111.77 2dum n ARG 78 Ca -0.01 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 2dum n ARG 78 Cb 0.25 -0.69 0.20 0.00 -1.02 0.00 0.00 32.46 31.20 2dum n ARG 78 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2dum n LYS 79 N -0.45 -0.01 0.06 5.56 4.81 -0.34 0.12 118.16 127.90 2dum n LYS 79 Ca 0.00 0.40 -0.03 0.00 -0.87 0.00 0.00 58.31 57.82 2dum n LYS 79 Cb 0.00 -0.76 -0.01 0.00 0.02 0.00 0.00 35.03 34.28 2dum n LYS 79 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2dum h LEU 80 N 0.00 -0.15 -1.67 3.14 3.38 -1.64 -2.21 115.31 116.16 2dum h LEU 80 Ca 0.27 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2dum h LEU 80 Cb 0.80 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2dum h LEU 80 CO -0.18 0.01 0.15 -0.61 0.09 0.00 0.00 178.44 177.89 2dum h GLN 81 N -0.41 0.00 0.01 1.13 5.75 0.97 1.05 115.11 123.61 2dum h GLN 81 Ca -0.02 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2dum h GLN 81 Cb 0.14 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.69 2dum h GLN 81 CO 0.03 0.00 -0.01 1.49 -2.65 0.00 0.00 178.83 177.69 2dum h GLU 82 N 0.00 -0.02 0.00 1.69 4.81 -0.59 -3.36 114.58 117.11 2dum h GLU 82 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2dum h GLU 82 Cb 0.29 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2dum h GLU 82 CO 0.00 0.69 -0.39 -0.22 -0.73 0.00 0.00 179.01 178.36 2dum h LYS 83 N -0.75 0.00 -1.02 1.92 3.64 0.15 -3.09 116.57 117.42 2dum h LYS 83 Ca -0.00 0.00 0.25 0.00 -1.27 0.00 0.00 60.65 59.62 2dum h LYS 83 Cb 0.71 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.43 2dum h LYS 83 CO 0.00 0.39 0.63 0.00 -2.27 0.00 0.00 179.45 178.20 2dum h ALA 84 N 1.61 1.98 0.00 5.00 0.00 -0.11 -1.00 119.26 126.74 2dum h ALA 84 Ca -0.00 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2dum h ALA 84 Cb 0.84 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2dum h ALA 84 CO 0.05 -0.41 -0.64 0.93 0.00 0.00 0.00 179.25 179.18 2dum h GLU 85 N 0.52 0.00 0.05 0.00 4.39 -1.75 -2.57 114.58 115.22 2dum h GLU 85 Ca 0.61 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 60.08 2dum h GLU 85 Cb 1.31 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 2dum h GLU 85 CO -0.38 0.64 -1.06 1.05 -1.16 0.00 0.00 179.01 178.11 2dum h GLU 86 N 0.00 0.18 0.22 2.33 4.11 -1.49 -3.13 114.58 116.79 2dum h GLU 86 Ca -0.01 -0.26 -0.01 0.00 0.07 0.00 0.00 59.36 59.15 2dum h GLU 86 Cb 1.47 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.82 2dum h GLU 86 CO 0.08 1.08 -0.10 0.28 0.07 0.00 0.00 179.01 180.41 2dum h VAL 87 N 0.07 0.86 -0.93 -1.06 2.07 -1.23 0.36 116.25 116.39 2dum h VAL 87 Ca -0.07 -0.63 0.37 0.00 0.82 0.00 0.00 66.70 67.19 2dum h VAL 87 Cb 1.77 1.22 -0.17 0.00 -1.52 0.00 0.00 31.29 32.59 2dum h VAL 87 CO 0.16 0.14 0.44 1.17 0.02 0.00 0.00 177.57 179.50 2dum n LYS 88 N -5.08 -0.06 -0.07 1.57 4.81 -0.97 0.44 118.16 118.80 2dum n LYS 88 Ca -0.09 1.29 -0.10 0.00 -0.87 0.00 0.00 58.31 58.55 2dum n LYS 88 Cb 0.24 -2.29 -0.07 0.00 0.02 0.00 0.00 35.03 32.93 2dum n LYS 88 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2dum h ARG 89 N 0.00 0.00 -0.46 1.64 3.08 -1.37 0.88 114.38 118.15 2dum h ARG 89 Ca 0.76 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.88 2dum h ARG 89 Cb 1.97 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.92 2dum h ARG 89 CO -0.73 0.53 -0.44 0.00 -1.07 0.00 0.00 179.97 178.26 2dum h ALA 90 N -0.56 -0.41 0.00 0.04 0.00 -0.61 0.33 119.26 118.05 2dum h ALA 90 Ca -0.06 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2dum h ALA 90 Cb 0.67 0.92 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2dum h ALA 90 CO -0.04 -0.86 0.00 1.19 0.00 0.00 0.00 179.25 179.54 2dum n PHE 91 N -5.41 0.73 -3.45 0.00 3.01 0.17 -4.45 117.46 108.06 2dum n PHE 91 Ca 0.00 0.38 -0.19 0.00 1.01 0.00 0.00 57.45 58.65 2dum n PHE 91 Cb 0.35 -1.11 0.09 0.00 -0.01 0.00 0.00 39.48 38.80 2dum n PHE 91 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2dum n ARG 92 N -2.25 -6.89 -4.11 -1.08 0.63 0.11 -4.31 116.66 98.75 2dum n ARG 92 Ca -0.01 0.83 -0.35 0.00 -0.92 0.00 0.00 57.85 57.40 2dum n ARG 92 Cb 0.04 -5.82 -0.07 0.00 0.45 0.00 0.00 32.46 27.06 2dum n ARG 92 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2dum s ALA 93 N -3.34 3.60 0.17 5.13 0.00 0.26 -2.45 121.76 125.12 2dum s ALA 93 Ca 0.16 -0.76 -0.12 0.00 0.00 0.00 0.00 51.96 51.23 2dum s ALA 93 Cb -0.07 -1.69 0.06 0.00 0.00 0.00 0.00 23.12 21.42 2dum s ALA 93 CO 0.72 0.63 1.71 0.87 0.00 0.00 0.00 175.76 179.69 2dum h LYS 94 N 4.77 0.85 -4.38 0.00 1.57 0.06 -3.46 116.57 115.98 2dum h LYS 94 Ca -0.52 -0.16 -0.26 0.00 -1.87 0.00 0.00 60.65 57.84 2dum h LYS 94 Cb 1.20 -0.13 -0.22 0.00 0.08 0.00 0.00 32.23 33.15 2dum h LYS 94 CO 0.58 0.74 -0.73 -0.80 -0.57 0.00 0.00 179.45 178.67 2dum s ASN 95 N -6.08 0.67 -0.07 0.86 0.01 -0.72 -4.97 114.94 104.64 2dum s ASN 95 Ca -0.13 -0.45 0.03 0.00 -0.71 0.00 0.00 52.86 51.60 2dum s ASN 95 Cb 0.12 0.03 0.01 0.00 0.41 0.00 0.00 41.25 41.82 2dum s ASN 95 CO 0.79 -0.18 -0.16 0.54 -1.51 0.00 0.00 177.10 176.58 2dum s VAL 96 N -1.16 1.42 0.23 1.60 0.11 -1.26 -1.16 120.40 120.18 2dum s VAL 96 Ca -0.09 -0.66 0.07 0.00 -2.93 0.00 0.00 61.98 58.38 2dum s VAL 96 Cb -0.08 -1.26 -0.05 0.00 -1.53 0.00 0.00 36.38 33.45 2dum s VAL 96 CO 0.00 0.42 -0.12 0.00 -3.33 0.00 0.00 175.10 172.07 2dum s ARG 97 N 0.47 1.40 0.27 1.54 1.70 -0.33 -4.96 118.95 119.06 2dum s ARG 97 Ca -0.14 -1.65 0.10 0.00 -0.47 0.00 0.00 55.73 53.57 2dum s ARG 97 Cb -0.16 -1.14 -0.05 0.00 -0.57 0.00 0.00 34.95 33.04 2dum s ARG 97 CO 0.05 0.14 -0.05 0.95 -1.08 0.00 0.00 175.30 175.31 2dum s THR 98 N -2.98 3.17 -0.26 4.99 -4.23 -1.26 0.21 115.64 115.27 2dum s THR 98 Ca 0.25 -2.04 -0.11 0.00 -1.18 0.00 0.00 61.69 58.61 2dum s THR 98 Cb 0.00 -2.71 0.10 0.00 1.34 0.00 0.00 72.50 71.24 2dum s THR 98 CO 0.09 -0.37 0.59 -0.63 -0.54 0.00 0.00 174.62 173.76 2dum s ILE 99 N -2.38 -0.59 0.05 2.99 1.01 0.28 -4.86 121.20 117.71 2dum s ILE 99 Ca 0.31 0.04 0.02 0.00 0.00 0.00 0.00 60.65 61.03 2dum s ILE 99 Cb -0.06 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 2dum s ILE 99 CO 0.19 0.02 0.07 -0.63 0.00 0.00 0.00 174.94 174.58 2dum s ILE 100 N 2.38 4.53 -0.05 2.92 -1.09 -1.26 -1.68 121.20 126.95 2dum s ILE 100 Ca -0.07 -0.68 -0.09 0.00 -2.23 0.00 0.00 60.65 57.58 2dum s ILE 100 Cb -0.10 -3.14 0.02 0.00 -1.58 0.00 0.00 42.46 37.66 2dum s ILE 100 CO -0.17 0.20 0.22 -0.13 -1.23 0.00 0.00 174.94 173.82 2dum s ARG 101 N -2.17 0.40 -0.29 2.79 1.81 -0.51 -4.94 118.95 116.04 2dum s ARG 101 Ca 0.27 0.03 -0.05 0.00 -1.72 0.00 0.00 55.73 54.26 2dum s ARG 101 Cb -0.12 0.18 0.02 0.00 -0.45 0.00 0.00 34.95 34.58 2dum s ARG 101 CO 0.19 -0.08 0.05 0.12 -0.68 0.00 0.00 175.30 174.90 2dum s PHE 102 N -0.55 3.14 -2.00 -0.53 5.36 -1.26 0.62 117.98 122.76 2dum s PHE 102 Ca -0.06 -1.18 0.00 0.00 -0.96 0.00 0.00 56.93 54.72 2dum s PHE 102 Cb -0.04 -2.21 0.00 0.00 -0.34 0.00 0.00 43.02 40.43 2dum s PHE 102 CO 0.01 -0.63 0.00 0.41 -1.46 0.00 0.00 175.22 173.55 2dum n GLY 103 N 4.81 -0.59 3.64 13.12 0.00 -0.70 -4.95 105.19 120.53 2dum n GLY 103 Ca -0.15 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 2dum n GLY 103 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dum s ILE 104 N -3.35 5.25 0.09 -0.61 -0.00 -1.26 -1.49 121.20 119.82 2dum s ILE 104 Ca 0.00 0.47 -0.17 0.00 -0.00 0.00 0.00 60.65 60.95 2dum s ILE 104 Cb 0.00 -3.64 -0.04 0.00 -0.00 0.00 0.00 42.46 38.79 2dum s ILE 104 CO 0.00 0.26 1.19 -2.65 -0.00 0.00 0.00 174.94 173.73 2dum n PRO 105 N 4.68 -0.24 0.22 0.37 -0.02 -1.26 -0.63 135.00 138.12 2dum n PRO 105 Ca -0.11 1.17 0.15 0.00 -2.02 0.00 0.00 63.50 62.69 2dum n PRO 105 Cb 0.51 -1.73 0.74 0.00 -0.02 0.00 0.00 33.50 33.00 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 0.00 6.00 5.08 -1.94 0.44 115.95 125.53 2dum h TRP 106 Ca 0.09 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.97 2dum h TRP 106 Cb 0.22 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.37 2dum h TRP 106 CO -0.89 0.00 -1.57 -3.47 -1.28 0.00 0.00 178.44 171.23 2dum n ASP 107 N -2.57 0.51 0.11 0.11 4.64 0.20 -2.67 116.55 116.88 2dum n ASP 107 Ca -0.01 0.21 -0.18 0.00 -1.38 0.00 0.00 54.79 53.43 2dum n ASP 107 Cb 0.12 0.89 -0.14 0.00 -1.04 0.00 0.00 41.12 40.95 2dum n ASP 107 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 2dum h GLU 108 N 0.00 0.33 0.59 -0.67 4.39 0.56 -3.03 114.58 116.76 2dum h GLU 108 Ca -0.10 -0.57 -0.02 0.00 0.34 0.00 0.00 59.36 59.01 2dum h GLU 108 Cb 1.29 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 30.14 2dum h GLU 108 CO 0.02 1.26 -0.46 0.82 -1.16 0.00 0.00 179.01 179.49 2dum h ILE 109 N 0.09 0.00 -0.22 3.13 2.04 -1.11 0.21 117.51 121.65 2dum h ILE 109 Ca -0.17 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.75 2dum h ILE 109 Cb 2.02 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 2dum h ILE 109 CO 0.22 0.00 0.29 0.58 0.00 0.00 0.00 178.15 179.24 2dum h VAL 110 N -1.02 0.35 0.02 1.67 2.07 -1.66 0.26 116.25 117.94 2dum h VAL 110 Ca -0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2dum h VAL 110 Cb 0.85 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2dum h VAL 110 CO 0.02 0.00 -0.01 0.11 0.02 0.00 0.00 177.57 177.71 2dum h LYS 111 N 0.00 -0.03 -0.86 1.57 1.57 -0.98 -2.69 116.57 115.16 2dum h LYS 111 Ca 0.11 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 59.05 2dum h LYS 111 Cb 0.69 0.01 -0.16 0.00 0.08 0.00 0.00 32.23 32.85 2dum h LYS 111 CO -0.00 -0.02 -0.24 0.28 -0.57 0.00 0.00 179.45 178.91 2dum n VAL 112 N -2.67 -0.38 -0.18 0.50 0.31 -0.10 0.18 118.33 116.00 2dum n VAL 112 Ca -0.00 1.97 -0.02 0.00 -0.01 0.00 0.00 64.34 66.28 2dum n VAL 112 Cb 0.01 -2.71 0.06 0.00 -0.91 0.00 0.00 33.84 30.29 2dum n VAL 112 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dum h ALA 113 N 1.62 0.43 -0.03 3.52 0.00 -0.54 -1.65 119.26 122.60 2dum h ALA 113 Ca 0.39 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.49 2dum h ALA 113 Cb 0.61 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2dum h ALA 113 CO -0.88 -0.42 0.00 1.49 0.00 0.00 0.00 179.25 179.44 2dum h GLU 114 N 0.04 0.04 0.12 0.00 4.57 0.09 -2.43 114.58 117.01 2dum h GLU 114 Ca 0.27 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 2dum h GLU 114 Cb 0.42 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 2dum h GLU 114 CO -0.53 0.33 -0.06 0.93 -1.18 0.00 0.00 179.01 178.50 2dum h GLU 115 N -0.25 -0.15 0.00 1.92 5.08 -0.25 -0.50 114.58 120.44 2dum h GLU 115 Ca 0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2dum h GLU 115 Cb 0.31 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2dum h GLU 115 CO 0.00 -0.10 0.64 0.39 -1.00 0.00 0.00 179.01 178.94 2dum n GLU 116 N -2.61 0.01 -3.72 2.33 -0.58 -0.88 -4.82 120.64 110.38 2dum n GLU 116 Ca -0.02 0.47 -0.25 0.00 -0.42 0.00 0.00 57.16 56.94 2dum n GLU 116 Cb 0.06 -1.86 0.00 0.00 -0.57 0.00 0.00 31.44 29.08 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 -1.59 -4.59 -4.30 1.62 5.15 -0.20 -4.97 115.26 106.38 2dum n ASN 117 Ca 0.00 -0.89 -0.30 0.00 -0.60 0.00 0.00 54.58 52.80 2dum n ASN 117 Cb 0.64 -1.51 0.18 0.00 -0.53 0.00 0.00 39.78 38.55 2dum n ASN 117 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2dum s VAL 118 N -2.84 1.91 -0.10 3.44 -7.23 -1.07 -5.01 120.40 109.50 2dum s VAL 118 Ca 0.02 0.00 0.10 0.00 -1.81 0.00 0.00 61.98 60.29 2dum s VAL 118 Cb -0.00 -2.82 -0.14 0.00 0.56 0.00 0.00 36.38 33.97 2dum s VAL 118 CO 0.85 0.00 0.25 -1.54 -0.31 0.00 0.00 175.10 174.36 2dum n SER 119 N -3.95 2.30 -3.48 4.85 3.41 -1.00 -4.99 113.62 110.76 2dum n SER 119 Ca 0.12 -0.14 -0.13 0.00 -0.26 0.00 0.00 58.87 58.46 2dum n SER 119 Cb 0.60 1.36 -0.03 0.00 -0.26 0.00 0.00 64.21 65.88 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 -3.45 -0.38 -0.17 1.04 2.96 -1.25 -4.45 118.68 112.98 2dum s LEU 120 Ca -0.02 0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 2dum s LEU 120 Cb 0.06 2.43 0.01 0.00 0.50 0.00 0.00 46.19 49.19 2dum s LEU 120 CO 0.41 -0.88 -0.18 -0.63 -1.32 0.00 0.00 176.35 173.74 2dum s ILE 121 N -3.32 2.28 0.05 6.68 1.01 -0.40 -1.09 121.20 126.42 2dum s ILE 121 Ca -0.01 -0.88 -0.20 0.00 0.00 0.00 0.00 60.65 59.56 2dum s ILE 121 Cb -0.00 -1.96 -0.06 0.00 0.01 0.00 0.00 42.46 40.45 2dum s ILE 121 CO -0.09 0.53 0.58 -0.63 0.00 0.00 0.00 174.94 175.33 2dum s ILE 122 N 1.12 4.78 -0.03 2.92 -1.09 0.01 -0.99 121.20 127.92 2dum s ILE 122 Ca 0.00 1.24 -0.00 0.00 -2.23 0.00 0.00 60.65 59.66 2dum s ILE 122 Cb -0.14 -3.92 0.03 0.00 -1.58 0.00 0.00 42.46 36.85 2dum s ILE 122 CO -0.07 0.51 0.03 -0.22 -1.23 0.00 0.00 174.94 173.95 2dum s LEU 123 N -0.79 0.84 0.35 2.97 2.96 -0.37 -3.65 118.68 120.98 2dum s LEU 123 Ca 0.30 0.03 -0.27 0.00 -0.22 0.00 0.00 54.13 53.97 2dum s LEU 123 Cb -0.19 -0.14 -0.09 0.00 0.50 0.00 0.00 46.19 46.27 2dum s LEU 123 CO 0.19 -0.16 1.18 -2.84 -1.32 0.00 0.00 176.35 173.40 2dum s PRO 124 N 1.38 4.32 0.03 0.98 0.02 -1.26 -1.92 135.00 138.54 2dum s PRO 124 Ca -0.05 1.93 -0.17 0.00 0.02 0.00 0.00 61.00 62.73 2dum s PRO 124 Cb -0.13 -2.94 -0.09 0.00 0.02 0.00 0.00 34.50 31.36 2dum s PRO 124 CO -0.03 -0.12 1.22 1.03 -0.33 0.00 0.00 177.00 178.77 2dum h SER 125 N 3.19 -0.52 0.00 2.53 0.87 -1.23 -3.45 113.55 114.94 2dum h SER 125 Ca -0.48 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2dum h SER 125 Cb 1.22 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2dum h SER 125 CO 0.65 -0.36 0.00 -1.14 -0.53 0.00 0.00 176.83 175.44 2dum n ARG 126 N -3.69 0.00 -0.06 2.24 0.00 -1.26 -2.46 116.66 111.43 2dum n ARG 126 Ca -0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.63 2dum n ARG 126 Cb 0.24 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.57 2dum n ARG 126 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2dum h HIS 133 N 0.00 0.04 0.00 -0.14 2.76 -2.08 -3.41 115.15 112.32 2dum h HIS 133 Ca 0.00 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 2dum h HIS 133 Cb 0.00 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 2dum h HIS 133 CO 0.00 1.02 -0.63 0.39 -1.30 0.00 0.00 177.93 177.41 2dum n GLU 134 N -4.58 0.21 -1.62 5.26 1.02 -1.26 -4.72 120.64 114.95 2dum n GLU 134 Ca -0.10 0.05 -0.43 0.00 -0.02 0.00 0.00 57.16 56.66 2dum n GLU 134 Cb 0.50 -1.62 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 2dum n GLU 134 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2dum n PHE 135 N -1.92 2.20 -3.68 -0.32 -0.00 -1.26 -5.01 117.46 107.47 2dum n PHE 135 Ca 0.04 -0.23 -0.37 0.00 -0.00 0.00 0.00 57.45 56.89 2dum n PHE 135 Cb 0.41 -2.76 -0.06 0.00 -0.00 0.00 0.00 39.48 37.07 2dum n PHE 135 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 2dum s LEU 136 N 6.61 4.42 0.79 -2.13 1.98 -1.26 -4.63 118.68 124.45 2dum s LEU 136 Ca 0.96 0.70 -0.14 0.00 -2.89 0.00 0.00 54.13 52.76 2dum s LEU 136 Cb -0.39 -2.33 0.07 0.00 0.66 0.00 0.00 46.19 44.19 2dum s LEU 136 CO 0.39 0.34 1.22 -0.83 -1.89 0.00 0.00 176.35 175.58 2dum s GLY 137 N -0.92 2.26 0.42 7.98 0.00 -1.03 -4.92 107.32 111.11 2dum s GLY 137 Ca 0.19 0.90 0.23 0.00 0.00 0.00 0.00 44.72 46.04 2dum s GLY 137 CO 0.08 1.32 1.68 1.48 0.00 0.00 0.00 173.10 177.66 2dum h SER 138 N -0.71 0.00 0.19 1.64 4.64 -1.98 -2.62 113.55 114.70 2dum h SER 138 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2dum h SER 138 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2dum h SER 138 CO 0.47 0.17 -1.36 1.07 -0.87 0.00 0.00 176.83 176.31 2dum n THR 139 N -3.19 0.08 0.04 2.95 5.66 -1.26 -1.39 114.28 117.17 2dum n THR 139 Ca 0.02 -0.28 -0.19 0.00 -3.05 0.00 0.00 64.05 60.55 2dum n THR 139 Cb 0.52 0.33 -0.14 0.00 -1.55 0.00 0.00 70.33 69.49 2dum n THR 139 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2dum h VAL 140 N 0.00 1.48 0.11 1.08 2.07 -1.90 -1.76 116.25 117.33 2dum h VAL 140 Ca 0.00 -2.40 -0.01 0.00 0.82 0.00 0.00 66.70 65.11 2dum h VAL 140 Cb 0.77 3.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.57 2dum h VAL 140 CO 0.00 0.69 -0.05 0.24 0.02 0.00 0.00 177.57 178.46 2dum h MET 141 N -0.28 -0.14 -0.90 1.57 2.86 -1.45 0.65 114.93 117.24 2dum h MET 141 Ca -0.12 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.57 2dum h MET 141 Cb 1.56 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 33.19 2dum h MET 141 CO 0.15 0.02 0.58 -0.09 1.06 0.00 0.00 176.91 178.62 2dum h ARG 142 N -0.27 1.06 -0.04 1.72 9.65 -1.30 -2.30 114.38 122.90 2dum h ARG 142 Ca -0.01 -0.06 -0.17 0.00 -1.10 0.00 0.00 59.98 58.63 2dum h ARG 142 Cb 0.22 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 2dum h ARG 142 CO 0.02 0.70 -0.72 0.28 2.80 0.00 0.00 179.97 183.06 2dum h VAL 143 N 1.10 1.44 -0.54 0.20 2.07 -0.67 -2.70 116.25 117.14 2dum h VAL 143 Ca 0.37 -2.26 -0.02 0.00 0.82 0.00 0.00 66.70 65.61 2dum h VAL 143 Cb 0.06 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 2dum h VAL 143 CO -0.14 0.66 0.24 0.25 0.02 0.00 0.00 177.57 178.60 2dum h LEU 144 N 0.14 0.69 -0.29 2.57 5.85 0.81 -2.28 115.31 122.80 2dum h LEU 144 Ca -0.02 -0.07 -0.17 0.00 0.84 0.00 0.00 57.88 58.45 2dum h LEU 144 Cb 1.28 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 2dum h LEU 144 CO 0.11 0.61 -0.82 0.03 -0.34 0.00 0.00 178.44 178.02 2dum h ARG 145 N 0.77 0.00 0.00 1.25 3.08 -1.37 -3.39 114.38 114.72 2dum h ARG 145 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2dum h ARG 145 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2dum h ARG 145 CO -0.02 0.82 -1.31 1.17 -1.07 0.00 0.00 179.97 179.56 2dum n LYS 146 N -3.51 0.98 -2.68 0.04 3.00 -1.03 -4.95 118.16 110.02 2dum n LYS 146 Ca -0.00 -0.08 -0.26 0.00 -0.00 0.00 0.00 58.31 57.97 2dum n LYS 146 Cb 0.80 -1.35 0.01 0.00 0.00 0.00 0.00 35.03 34.49 2dum n LYS 146 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2dum s THR 147 N -2.90 4.30 -1.78 3.15 -4.23 -0.88 -4.93 115.64 108.37 2dum s THR 147 Ca -0.00 -0.06 0.24 0.00 -1.18 0.00 0.00 61.69 60.69 2dum s THR 147 Cb 0.12 -3.64 0.08 0.00 1.34 0.00 0.00 72.50 70.39 2dum s THR 147 CO 0.70 -0.59 1.27 0.29 -0.54 0.00 0.00 174.62 175.75 2dum n LYS 148 N -2.30 0.89 -2.99 3.99 4.76 -1.26 -4.98 118.16 116.27 2dum n LYS 148 Ca 0.02 -0.66 -0.24 0.00 -2.87 0.00 0.00 58.31 54.55 2dum n LYS 148 Cb 0.57 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 2dum n LYS 148 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2dum s LYS 149 N -2.57 3.27 0.53 1.97 -0.14 -1.26 -5.06 119.74 116.48 2dum s LYS 149 Ca 0.19 -0.27 -0.20 0.00 -1.36 0.00 0.00 55.97 54.34 2dum s LYS 149 Cb 0.18 -2.53 -0.06 0.00 -1.68 0.00 0.00 37.83 33.74 2dum s LYS 149 CO 0.59 -0.17 1.12 -2.14 -0.76 0.00 0.00 175.35 173.99 2dum s PRO 150 N -4.56 3.45 -0.02 -1.68 0.02 -1.26 -4.92 135.00 126.04 2dum s PRO 150 Ca 0.46 1.60 0.02 0.00 0.02 0.00 0.00 61.00 63.09 2dum s PRO 150 Cb -0.10 -2.06 0.01 0.00 0.02 0.00 0.00 34.50 32.37 2dum s PRO 150 CO 0.39 -0.77 -0.06 0.54 -0.33 0.00 0.00 177.00 176.78 2dum s VAL 151 N -1.77 0.50 -0.17 3.83 0.11 -1.26 -1.27 120.40 120.37 2dum s VAL 151 Ca 0.71 -0.21 -0.03 0.00 -2.93 0.00 0.00 61.98 59.52 2dum s VAL 151 Cb -0.23 -0.46 -0.02 0.00 -1.53 0.00 0.00 36.38 34.14 2dum s VAL 151 CO 0.27 0.17 -0.07 -0.22 -3.33 0.00 0.00 175.10 171.92 2dum s LEU 152 N 0.23 2.93 -0.11 2.54 2.96 -0.17 -4.92 118.68 122.14 2dum s LEU 152 Ca -0.03 -0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 53.55 2dum s LEU 152 Cb -0.07 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 2dum s LEU 152 CO -0.00 0.09 0.00 -0.63 -1.32 0.00 0.00 176.35 174.49 2dum s ILE 153 N 0.79 4.29 0.09 6.68 1.09 -1.26 -1.23 121.20 131.65 2dum s ILE 153 Ca -0.03 -0.24 0.07 0.00 -1.10 0.00 0.00 60.65 59.35 2dum s ILE 153 Cb -0.15 -2.84 -0.03 0.00 -1.06 0.00 0.00 42.46 38.38 2dum s ILE 153 CO 0.01 0.56 -0.17 0.27 -0.10 0.00 0.00 174.94 175.51 2dum s ILE 154 N -0.43 1.42 0.00 2.92 -4.36 -0.81 -4.91 121.20 115.03 2dum s ILE 154 Ca 0.08 -1.49 0.00 0.00 -0.26 0.00 0.00 60.65 58.98 2dum s ILE 154 Cb -0.12 -1.37 0.00 0.00 1.25 0.00 0.00 42.46 42.22 2dum s ILE 154 CO 0.02 -0.18 0.00 0.29 0.24 0.00 0.00 174.94 175.31 2dum n LYS 155 N 1.06 0.00 -3.11 0.37 5.02 -1.26 -0.66 118.16 119.58 2dum n LYS 155 Ca -0.19 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 55.92 2dum n LYS 155 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.56 2dum n LYS 155 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2dum s GLU 156 N 1.58 2.76 1.34 1.97 0.41 -1.26 -4.77 118.70 120.72 2dum s GLU 156 Ca 0.00 -1.31 -0.21 0.00 -0.41 0.00 0.00 54.97 53.04 2dum s GLU 156 Cb 0.00 -2.69 0.34 0.00 -1.78 0.00 0.00 34.13 30.00 2dum s GLU 156 CO 0.00 -0.28 1.00 0.08 -0.49 0.00 0.00 175.26 175.58 2dum s VAL 157 N -2.38 1.36 -0.49 2.63 1.01 -1.26 -5.01 120.40 116.25 2dum s VAL 157 Ca 0.54 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.55 2dum s VAL 157 Cb -0.09 -2.24 0.13 0.00 0.00 0.00 0.00 36.38 34.18 2dum s VAL 157 CO 0.32 0.00 0.23 1.51 0.00 0.00 0.00 175.10 177.17 2dum s ASP 158 N -3.45 4.59 0.00 3.32 3.84 -1.26 -5.17 116.67 118.54 2dum s ASP 158 Ca 0.70 -2.75 0.00 0.00 -0.00 0.00 0.00 52.55 50.50 2dum s ASP 158 Cb -0.12 -1.68 0.00 0.00 -1.38 0.00 0.00 42.92 39.75 2dum s ASP 158 CO 0.57 -0.30 0.00 -0.62 -0.00 0.00 0.00 175.17 174.82