#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sbk s TRP 3 N 0.00 2.79 -0.36 4.28 0.52 -1.26 -4.73 118.94 120.18 1sbk s TRP 3 Ca 0.00 1.12 0.07 0.00 0.02 0.00 0.00 56.10 57.31 1sbk s TRP 3 Cb 0.00 -3.92 -0.07 0.00 -1.15 0.00 0.00 33.47 28.32 1sbk s TRP 3 CO 0.00 -2.82 0.32 1.63 0.02 0.00 0.00 176.95 176.10 1sbk n LYS 4 N 1.21 4.48 -4.32 4.98 4.76 0.16 -4.97 118.16 124.46 1sbk n LYS 4 Ca 0.03 -0.03 -0.25 0.00 -2.87 0.00 0.00 58.31 55.19 1sbk n LYS 4 Cb 0.40 -0.85 -0.13 0.00 -1.84 0.00 0.00 35.03 32.61 1sbk n LYS 4 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1sbk s ARG 5 N -1.64 1.17 0.02 1.97 0.52 -1.07 -4.86 118.95 115.06 1sbk s ARG 5 Ca 0.03 -1.17 -0.06 0.00 -0.52 0.00 0.00 55.73 54.02 1sbk s ARG 5 Cb 0.05 -1.45 -0.05 0.00 0.52 0.00 0.00 34.95 34.02 1sbk s ARG 5 CO 0.29 0.34 0.27 -1.59 0.02 0.00 0.00 175.30 174.63 1sbk s LYS 6 N -1.87 3.57 -0.09 3.54 -2.85 -1.26 -4.97 119.74 115.81 1sbk s LYS 6 Ca 0.07 -0.11 -0.30 0.00 -1.00 0.00 0.00 55.97 54.63 1sbk s LYS 6 Cb -0.10 -3.06 0.11 0.00 -2.06 0.00 0.00 37.83 32.72 1sbk s LYS 6 CO 0.04 0.64 0.94 -1.50 0.10 0.00 0.00 175.35 175.57 1sbk s ILE 7 N -1.34 0.00 0.22 3.79 2.07 -1.26 -5.16 121.20 119.53 1sbk s ILE 7 Ca 0.29 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.58 1sbk s ILE 7 Cb -0.13 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.43 1sbk s ILE 7 CO 0.17 0.00 0.25 -0.89 -1.91 0.00 0.00 174.94 172.56 1sbk s THR 8 N -2.07 4.80 0.24 4.00 2.01 -1.26 -5.00 115.64 118.37 1sbk s THR 8 Ca 0.01 -1.15 0.02 0.00 0.31 0.00 0.00 61.69 60.88 1sbk s THR 8 Cb -0.01 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 1sbk s THR 8 CO -0.03 -0.28 1.61 -0.07 -0.69 0.00 0.00 174.62 175.16 1sbk h LEU 9 N 1.59 0.40 -0.22 4.42 3.38 -1.99 -1.58 115.31 121.32 1sbk h LEU 9 Ca -0.49 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.30 1sbk h LEU 9 Cb 1.23 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1sbk h LEU 9 CO 0.62 0.82 0.10 -0.33 0.09 0.00 0.00 178.44 179.74 1sbk h GLU 10 N 0.30 0.21 -0.04 1.13 5.08 -1.94 0.73 114.58 120.05 1sbk h GLU 10 Ca 0.02 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sbk h GLU 10 Cb 0.95 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1sbk h GLU 10 CO 0.08 0.14 0.02 0.00 -1.00 0.00 0.00 179.01 178.25 1sbk h ALA 11 N 1.12 0.05 -0.11 3.43 0.00 -1.91 -1.05 119.26 120.79 1sbk h ALA 11 Ca 0.09 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1sbk h ALA 11 Cb 0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1sbk h ALA 11 CO -0.08 -0.40 -0.39 -0.07 0.00 0.00 0.00 179.25 178.31 1sbk h LEU 12 N -0.05 -1.22 -1.33 0.00 3.38 -0.92 -1.72 115.31 113.45 1sbk h LEU 12 Ca 0.01 0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.16 1sbk h LEU 12 Cb 0.10 0.50 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1sbk h LEU 12 CO -0.00 -0.41 0.46 0.78 0.09 0.00 0.00 178.44 179.35 1sbk h ASN 13 N -0.48 0.78 0.00 -0.43 2.35 -0.78 -3.26 115.58 113.76 1sbk h ASN 13 Ca 0.08 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1sbk h ASN 13 Cb 0.61 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1sbk h ASN 13 CO -0.37 0.56 0.00 0.00 -1.65 0.00 0.00 177.43 175.97 1sbk n ALA 14 N -2.43 1.78 0.00 -0.83 0.00 -0.41 -3.81 120.51 114.81 1sbk n ALA 14 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1sbk n ALA 14 Cb 0.05 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1sbk n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sbk n GLY 16 N 1.71 0.00 3.69 0.00 0.00 -1.23 -4.91 105.19 104.45 1sbk n GLY 16 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1sbk n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sbk s GLU 17 N 0.00 4.17 0.00 1.61 0.41 -1.25 -1.46 118.70 122.18 1sbk s GLU 17 Ca 0.00 2.46 0.00 0.00 -0.41 0.00 0.00 54.97 57.02 1sbk s GLU 17 Cb 0.00 -3.66 0.00 0.00 -1.78 0.00 0.00 34.13 28.69 1sbk s GLU 17 CO 0.00 -0.80 0.00 0.41 -0.49 0.00 0.00 175.26 174.38 1sbk n GLY 18 N 4.15 0.60 0.00 -1.39 0.00 -1.26 -4.98 105.19 102.31 1sbk n GLY 18 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1sbk n GLY 18 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sbk n ASN 19 N 0.00 0.00 0.00 1.61 0.23 -0.76 -5.01 115.26 111.33 1sbk n ASN 19 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1sbk n ASN 19 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1sbk n ASN 19 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1sbk n VAL 21 N 0.00 0.00 -0.23 3.53 0.31 -1.26 -1.81 118.33 118.87 1sbk n VAL 21 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1sbk n VAL 21 Cb 0.00 0.00 0.09 0.00 -0.91 0.00 0.00 33.84 33.02 1sbk n VAL 21 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1sbk h GLY 22 N 0.00 0.96 2.00 2.92 0.00 -1.54 -2.08 103.07 105.34 1sbk h GLY 22 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1sbk h GLY 22 CO 0.00 0.16 0.00 0.69 0.00 0.00 0.00 176.54 177.39 1sbk n PHE 23 N -4.79 0.69 0.78 5.60 0.99 -0.75 -1.89 117.46 118.10 1sbk n PHE 23 Ca 0.08 0.25 0.11 0.00 -0.00 0.00 0.00 57.45 57.90 1sbk n PHE 23 Cb 0.17 -0.91 0.12 0.00 -1.00 0.00 0.00 39.48 37.86 1sbk n PHE 23 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1sbk n LEU 24 N -2.11 3.00 -3.87 4.37 4.77 -0.86 -4.97 117.00 117.33 1sbk n LEU 24 Ca 0.03 -1.12 -0.28 0.00 -0.03 0.00 0.00 56.01 54.61 1sbk n LEU 24 Cb 0.27 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1sbk n LEU 24 CO 0.22 0.54 0.05 -0.67 -1.33 0.00 0.00 177.39 176.20 1sbk n ASP 25 N 1.31 -3.69 -4.68 -1.43 2.03 -0.79 -4.22 116.55 105.08 1sbk n ASP 25 Ca 0.14 -0.80 -0.41 0.00 0.52 0.00 0.00 54.79 54.24 1sbk n ASP 25 Cb 0.57 -3.87 -0.04 0.00 -0.72 0.00 0.00 41.12 37.06 1sbk n ASP 25 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1sbk s ILE 26 N -3.42 4.91 -0.05 5.18 1.01 -0.90 -4.40 121.20 123.52 1sbk s ILE 26 Ca 0.48 1.61 0.05 0.00 0.00 0.00 0.00 60.65 62.78 1sbk s ILE 26 Cb -0.24 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.10 1sbk s ILE 26 CO 0.83 0.06 -0.21 -0.13 0.00 0.00 0.00 174.94 175.50 1sbk s ARG 27 N 1.93 2.17 -0.15 2.79 0.52 -0.47 -4.72 118.95 121.02 1sbk s ARG 27 Ca 0.38 -0.74 -0.28 0.00 -0.52 0.00 0.00 55.73 54.58 1sbk s ARG 27 Cb -0.17 -1.84 -0.01 0.00 0.52 0.00 0.00 34.95 33.45 1sbk s ARG 27 CO 0.14 0.29 0.93 -0.06 0.02 0.00 0.00 175.30 176.62 1sbk s PHE 28 N -0.00 3.45 -0.09 -0.53 0.40 -1.26 -0.60 117.98 119.35 1sbk s PHE 28 Ca -0.05 1.43 0.01 0.00 -0.60 0.00 0.00 56.93 57.72 1sbk s PHE 28 Cb -0.13 -3.12 -0.01 0.00 0.51 0.00 0.00 43.02 40.27 1sbk s PHE 28 CO 0.03 -0.26 0.18 0.39 0.70 0.00 0.00 175.22 176.26 1sbk n GLU 29 N 5.27 4.66 -3.66 0.44 1.02 -0.34 -4.91 120.64 123.13 1sbk n GLU 29 Ca 0.07 -0.15 -0.13 0.00 -0.02 0.00 0.00 57.16 56.93 1sbk n GLU 29 Cb 0.48 -0.68 -0.08 0.00 -0.02 0.00 0.00 31.44 31.15 1sbk n GLU 29 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1sbk s HIS 30 N -0.85 -0.74 -0.19 -0.32 5.04 -1.14 -5.00 115.29 112.09 1sbk s HIS 30 Ca 0.01 1.75 -0.02 0.00 -1.54 0.00 0.00 55.06 55.26 1sbk s HIS 30 Cb 0.01 0.28 0.06 0.00 0.04 0.00 0.00 32.58 32.97 1sbk s HIS 30 CO 0.04 -0.36 0.00 -1.50 -2.34 0.00 0.00 174.74 170.59 1sbk s ILE 31 N 0.50 0.79 0.00 0.89 1.10 -1.26 -0.91 121.20 122.32 1sbk s ILE 31 Ca -0.01 -0.66 0.00 0.00 -0.51 0.00 0.00 60.65 59.46 1sbk s ILE 31 Cb -0.05 -1.19 0.00 0.00 0.15 0.00 0.00 42.46 41.37 1sbk s ILE 31 CO -0.02 -0.12 0.00 0.61 -2.11 0.00 0.00 174.94 173.31 1sbk n GLY 32 N 4.96 2.24 0.33 1.50 0.00 0.84 -4.99 105.19 110.07 1sbk n GLY 32 Ca -0.10 -2.10 -0.03 0.00 0.00 0.00 0.00 46.02 43.80 1sbk n GLY 32 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sbk h ASP 33 N 0.00 0.92 0.00 1.61 3.45 -2.02 -3.34 116.42 117.03 1sbk h ASP 33 Ca 0.00 -0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.34 1sbk h ASP 33 Cb 0.00 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.50 1sbk h ASP 33 CO 0.00 0.78 -0.41 -0.90 -1.57 0.00 0.00 179.24 177.14 1sbk n ASP 34 N -4.33 0.05 -4.12 6.45 5.68 -1.26 -1.92 116.55 117.11 1sbk n ASP 34 Ca 0.07 -1.76 -0.16 0.00 -0.50 0.00 0.00 54.79 52.44 1sbk n ASP 34 Cb 0.14 -0.14 -0.12 0.00 -1.14 0.00 0.00 41.12 39.86 1sbk n ASP 34 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1sbk s THR 35 N 0.00 0.86 -0.03 2.12 2.01 -1.26 -4.16 115.64 115.18 1sbk s THR 35 Ca 0.03 -1.14 0.01 0.00 0.31 0.00 0.00 61.69 60.89 1sbk s THR 35 Cb 0.03 -0.85 0.02 0.00 0.01 0.00 0.00 72.50 71.71 1sbk s THR 35 CO -0.01 -0.25 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.42 1sbk s LEU 36 N -1.55 1.41 0.05 4.42 2.96 -0.64 -0.11 118.68 125.22 1sbk s LEU 36 Ca -0.05 -0.08 0.07 0.00 -0.22 0.00 0.00 54.13 53.85 1sbk s LEU 36 Cb -0.09 -0.31 -0.03 0.00 0.50 0.00 0.00 46.19 46.26 1sbk s LEU 36 CO 0.01 -0.05 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.20 1sbk s GLU 37 N 0.73 1.17 -0.01 1.98 2.02 -0.08 -0.84 118.70 123.68 1sbk s GLU 37 Ca -0.08 -0.93 -0.12 0.00 0.02 0.00 0.00 54.97 53.86 1sbk s GLU 37 Cb -0.12 -1.28 0.02 0.00 0.10 0.00 0.00 34.13 32.85 1sbk s GLU 37 CO -0.01 0.32 0.25 0.00 0.02 0.00 0.00 175.26 175.84 1sbk s ALA 38 N -0.90 -0.62 0.00 5.21 0.00 -0.94 -1.20 121.76 123.31 1sbk s ALA 38 Ca 0.05 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1sbk s ALA 38 Cb -0.09 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1sbk s ALA 38 CO 0.02 -0.24 0.00 0.25 0.00 0.00 0.00 175.76 175.79 1sbk n THR 39 N 1.33 0.00 -4.25 0.00 -2.24 0.23 -0.16 114.28 109.20 1sbk n THR 39 Ca -0.22 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.28 1sbk n THR 39 Cb 0.56 -0.21 -0.09 0.00 -2.10 0.00 0.00 70.33 68.49 1sbk n THR 39 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1sbk s PRO 41 N -0.11 2.16 -0.68 -0.78 0.04 -1.26 -1.37 135.00 133.00 1sbk s PRO 41 Ca 0.00 -1.14 -0.09 0.00 0.04 0.00 0.00 61.00 59.81 1sbk s PRO 41 Cb 0.00 -2.26 0.18 0.00 0.04 0.00 0.00 34.50 32.46 1sbk s PRO 41 CO 0.00 0.47 0.56 0.08 0.04 0.00 0.00 177.00 178.15 1sbk s VAL 42 N -1.52 4.66 0.10 -0.36 1.01 0.16 -4.73 120.40 119.72 1sbk s VAL 42 Ca 0.24 -2.47 -0.03 0.00 0.00 0.00 0.00 61.98 59.72 1sbk s VAL 42 Cb -0.10 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.33 1sbk s VAL 42 CO 0.15 -0.92 0.18 -0.90 0.00 0.00 0.00 175.10 173.62 1sbk n ASP 43 N 4.03 -0.53 -0.53 3.32 5.68 -1.26 -4.30 116.55 122.96 1sbk n ASP 43 Ca 0.06 -1.47 0.45 0.00 -0.50 0.00 0.00 54.79 53.33 1sbk n ASP 43 Cb 0.42 0.92 0.71 0.00 -1.14 0.00 0.00 41.12 42.03 1sbk n ASP 43 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1sbk h SER 44 N 0.55 0.00 1.41 -1.12 4.64 -1.94 5.08 113.55 122.16 1sbk h SER 44 Ca -0.09 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.13 1sbk h SER 44 Cb 0.34 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 1sbk h SER 44 CO 0.11 0.00 -0.60 0.03 -0.87 0.00 0.00 176.83 175.50 1sbk h ARG 45 N 0.00 0.00 0.00 4.77 3.08 -1.95 -3.37 114.38 116.91 1sbk h ARG 45 Ca 0.78 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.83 1sbk h ARG 45 Cb 3.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 33.46 1sbk h ARG 45 CO -0.01 0.45 -0.05 0.25 -1.07 0.00 0.00 179.97 179.55 1sbk n THR 46 N -3.17 1.04 -3.97 2.04 -2.24 1.62 -5.06 114.28 104.54 1sbk n THR 46 Ca 0.01 -1.15 -0.26 0.00 -2.27 0.00 0.00 64.05 60.37 1sbk n THR 46 Cb 0.74 0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 69.28 1sbk n THR 46 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sbk s LYS 47 N -1.34 3.33 0.46 -0.78 1.02 0.11 -0.02 119.74 122.53 1sbk s LYS 47 Ca 0.10 -0.64 0.03 0.00 0.02 0.00 0.00 55.97 55.48 1sbk s LYS 47 Cb 0.08 -2.91 0.01 0.00 -0.52 0.00 0.00 37.83 34.50 1sbk s LYS 47 CO 0.01 0.52 0.66 1.14 -0.92 0.00 0.00 175.35 176.76 1sbk s GLN 48 N -3.15 2.85 0.41 1.68 -2.07 0.54 -4.64 119.66 115.27 1sbk s GLN 48 Ca 0.34 -0.79 0.26 0.00 -1.82 0.00 0.00 55.36 53.35 1sbk s GLN 48 Cb -0.11 -2.60 1.34 0.00 -1.09 0.00 0.00 33.01 30.55 1sbk s GLN 48 CO 0.27 -0.38 1.64 -1.35 -1.32 0.00 0.00 175.29 174.15 1sbk h PRO 49 N 0.39 0.13 -0.89 9.60 0.11 -2.00 -1.64 132.00 137.70 1sbk h PRO 49 Ca -0.44 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.51 1sbk h PRO 49 Cb 1.27 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.26 1sbk h PRO 49 CO 0.53 0.09 0.20 1.19 -0.21 0.00 0.00 178.00 179.80 1sbk n PHE 50 N -4.81 1.50 -0.03 0.65 3.01 -1.26 -4.90 117.46 111.63 1sbk n PHE 50 Ca 0.35 -0.87 0.00 0.00 1.01 0.00 0.00 57.45 57.94 1sbk n PHE 50 Cb 1.30 -0.51 0.00 0.00 -0.01 0.00 0.00 39.48 40.27 1sbk n PHE 50 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sbk n GLY 51 N -0.07 2.06 3.97 1.37 0.00 -0.62 -5.05 105.19 106.86 1sbk n GLY 51 Ca 0.26 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 1sbk n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sbk s LEU 52 N 0.00 3.78 0.19 0.99 1.43 -1.26 -4.77 118.68 119.04 1sbk s LEU 52 Ca 0.00 0.05 -0.33 0.00 -1.03 0.00 0.00 54.13 52.82 1sbk s LEU 52 Cb 0.00 -2.96 -0.13 0.00 0.03 0.00 0.00 46.19 43.14 1sbk s LEU 52 CO 0.00 -0.60 1.67 -0.11 0.23 0.00 0.00 176.35 177.54 1sbk n LEU 53 N -1.89 3.64 -4.72 1.79 0.00 -0.14 -0.34 117.00 115.35 1sbk n LEU 53 Ca 0.01 1.07 -0.42 0.00 0.00 0.00 0.00 56.01 56.67 1sbk n LEU 53 Cb 0.58 -1.52 -0.03 0.00 0.00 0.00 0.00 43.42 42.45 1sbk n LEU 53 CO 0.45 -0.00 0.95 -2.28 0.00 0.00 0.00 177.39 176.51 1sbk s HIS 54 N 1.10 3.36 0.42 1.96 5.65 0.97 -4.65 115.29 124.10 1sbk s HIS 54 Ca 0.77 1.18 0.14 0.00 0.25 0.00 0.00 55.06 57.40 1sbk s HIS 54 Cb -0.57 -3.52 1.01 0.00 -1.18 0.00 0.00 32.58 28.32 1sbk s HIS 54 CO 0.35 -1.70 1.94 0.78 -0.65 0.00 0.00 174.74 175.45 1sbk h GLY 55 N 6.58 0.70 1.43 1.59 0.00 -1.91 0.35 103.07 111.81 1sbk h GLY 55 Ca -0.42 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 46.63 1sbk h GLY 55 CO 0.82 0.09 -0.14 -1.33 0.00 0.00 0.00 176.54 175.97 1sbk h GLY 56 N 0.45 0.73 0.67 4.60 0.00 -1.95 -2.58 103.07 104.99 1sbk h GLY 56 Ca 0.34 -0.56 0.06 0.00 0.00 0.00 0.00 47.33 47.18 1sbk h GLY 56 CO -0.11 0.51 0.41 0.00 0.00 0.00 0.00 176.54 177.36 1sbk h ALA 57 N 1.23 0.98 -0.86 3.60 0.00 -1.23 0.11 119.26 123.09 1sbk h ALA 57 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1sbk h ALA 57 Cb 0.60 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1sbk h ALA 57 CO 0.04 0.10 0.48 0.77 0.00 0.00 0.00 179.25 180.64 1sbk h SER 58 N 0.75 1.07 0.21 0.00 0.02 -1.24 -1.84 113.55 112.52 1sbk h SER 58 Ca 0.33 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 61.06 1sbk h SER 58 Cb 0.20 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1sbk h SER 58 CO -0.19 0.85 -0.46 0.58 -1.14 0.00 0.00 176.83 176.48 1sbk h VAL 59 N 1.20 1.33 -0.42 2.27 2.07 -0.93 -1.46 116.25 120.30 1sbk h VAL 59 Ca 0.30 -1.65 0.01 0.00 0.82 0.00 0.00 66.70 66.19 1sbk h VAL 59 Cb 0.02 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1sbk h VAL 59 CO -0.05 0.50 0.26 0.58 0.02 0.00 0.00 177.57 178.88 1sbk h VAL 60 N 0.25 1.07 -0.32 2.57 2.07 -0.13 0.13 116.25 121.89 1sbk h VAL 60 Ca 0.02 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1sbk h VAL 60 Cb 0.91 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1sbk h VAL 60 CO 0.07 0.10 0.09 0.25 0.02 0.00 0.00 177.57 178.10 1sbk h LEU 61 N 0.53 0.48 0.08 2.57 5.85 -1.09 -1.08 115.31 122.66 1sbk h LEU 61 Ca 0.16 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1sbk h LEU 61 Cb -0.03 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1sbk h LEU 61 CO -0.06 0.57 -0.06 0.00 -0.34 0.00 0.00 178.44 178.55 1sbk h ALA 62 N 0.93 -0.14 -0.24 1.25 0.00 -0.95 -1.11 119.26 119.01 1sbk h ALA 62 Ca 0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1sbk h ALA 62 Cb 0.27 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1sbk h ALA 62 CO -0.00 -0.58 -0.03 1.49 0.00 0.00 0.00 179.25 180.12 1sbk h GLU 63 N -0.15 0.36 -0.05 0.00 4.81 -0.94 0.11 114.58 118.72 1sbk h GLU 63 Ca -0.00 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1sbk h GLU 63 Cb 0.14 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1sbk h GLU 63 CO -0.01 0.41 -0.01 0.77 -0.73 0.00 0.00 179.01 179.45 1sbk h SER 64 N 0.35 0.09 -0.15 1.04 0.02 -0.78 -0.77 113.55 113.35 1sbk h SER 64 Ca 0.08 -0.37 -0.05 0.00 -0.84 0.00 0.00 61.79 60.60 1sbk h SER 64 Cb 0.29 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1sbk h SER 64 CO 0.01 0.44 -0.09 0.40 -1.14 0.00 0.00 176.83 176.46 1sbk h ILE 65 N -0.26 1.32 -0.66 3.27 2.04 -1.04 -2.67 117.51 119.51 1sbk h ILE 65 Ca 0.01 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 1sbk h ILE 65 Cb 0.40 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 1sbk h ILE 65 CO 0.00 0.34 0.36 1.23 0.00 0.00 0.00 178.15 180.09 1sbk h GLY 66 N -0.01 0.97 1.09 5.37 0.00 -0.84 -1.00 103.07 108.65 1sbk h GLY 66 Ca 0.03 -0.43 -0.21 0.00 0.00 0.00 0.00 47.33 46.72 1sbk h GLY 66 CO 0.03 0.41 -0.78 1.48 0.00 0.00 0.00 176.54 177.68 1sbk h SER 67 N 0.92 0.84 -0.48 0.19 4.64 -1.14 -0.98 113.55 117.53 1sbk h SER 67 Ca 0.23 -0.67 -0.13 0.00 -0.47 0.00 0.00 61.79 60.75 1sbk h SER 67 Cb 0.02 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 1sbk h SER 67 CO -0.04 1.38 -0.21 -0.37 -0.87 0.00 0.00 176.83 176.72 1sbk h VAL 68 N 0.36 1.27 -0.30 0.95 -1.51 -1.38 -0.66 116.25 114.97 1sbk h VAL 68 Ca -0.07 -1.38 0.01 0.00 -1.23 0.00 0.00 66.70 64.03 1sbk h VAL 68 Cb 1.42 1.12 -0.02 0.00 -2.13 0.00 0.00 31.29 31.68 1sbk h VAL 68 CO 0.16 0.48 0.18 0.00 -1.23 0.00 0.00 177.57 177.16 1sbk h ALA 69 N 0.89 0.37 -0.68 5.19 0.00 -1.19 -0.38 119.26 123.46 1sbk h ALA 69 Ca 0.11 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1sbk h ALA 69 Cb 0.79 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1sbk h ALA 69 CO 0.07 -0.18 0.35 0.78 0.00 0.00 0.00 179.25 180.27 1sbk h GLY 70 N 0.38 1.01 1.00 0.00 0.00 -0.84 -1.98 103.07 102.63 1sbk h GLY 70 Ca 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1sbk h GLY 70 CO -0.04 0.10 0.39 -1.82 0.00 0.00 0.00 176.54 175.17 1sbk h TYR 71 N 0.63 0.79 0.00 5.60 3.20 -0.35 -1.69 116.97 125.14 1sbk h TYR 71 Ca 0.32 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.20 1sbk h TYR 71 Cb 0.28 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1sbk h TYR 71 CO -0.10 0.51 0.00 1.28 -1.64 0.00 0.00 178.16 178.22 1sbk n LEU 72 N -4.64 0.00 -0.94 2.82 4.77 -0.22 -1.24 117.00 117.54 1sbk n LEU 72 Ca 0.04 0.15 0.08 0.00 -0.03 0.00 0.00 56.01 56.26 1sbk n LEU 72 Cb 0.03 -0.15 0.26 0.00 -2.33 0.00 0.00 43.42 41.24 1sbk n LEU 72 CO 0.36 -0.09 0.71 0.00 -1.33 0.00 0.00 177.39 177.05 1sbk s THR 74 N -2.68 1.19 0.12 0.00 -4.23 -0.38 -4.75 115.64 104.90 1sbk s THR 74 Ca 0.42 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.95 1sbk s THR 74 Cb 0.33 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 1sbk s THR 74 CO 0.10 0.00 -0.06 -1.61 -0.54 0.00 0.00 174.62 172.51 1sbk s GLU 75 N -3.80 0.92 4.61 3.99 2.02 -1.26 -4.23 118.70 120.95 1sbk s GLU 75 Ca 0.24 -1.39 0.00 0.00 0.02 0.00 0.00 54.97 53.84 1sbk s GLU 75 Cb 0.05 -0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.00 1sbk s GLU 75 CO 0.12 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.79 1sbk n GLY 76 N -0.11 3.22 0.02 -1.39 0.00 -1.26 -1.29 105.19 104.38 1sbk n GLY 76 Ca -0.11 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.07 1sbk n GLY 76 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sbk n GLU 77 N 14.00 0.70 -1.49 1.61 -0.58 -1.26 -4.88 120.64 128.74 1sbk n GLU 77 Ca 0.00 -0.03 -0.35 0.00 -0.42 0.00 0.00 57.16 56.36 1sbk n GLU 77 Cb 0.00 -1.50 0.09 0.00 -0.57 0.00 0.00 31.44 29.46 1sbk n GLU 77 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1sbk s GLN 78 N -2.32 2.19 0.14 3.49 -0.21 -0.41 -4.62 119.66 117.91 1sbk s GLN 78 Ca 0.37 1.92 -0.01 0.00 0.02 0.00 0.00 55.36 57.65 1sbk s GLN 78 Cb 0.21 -1.82 -0.04 0.00 1.00 0.00 0.00 33.01 32.36 1sbk s GLN 78 CO 0.42 -1.84 0.06 0.15 -2.12 0.00 0.00 175.29 171.97 1sbk s LYS 79 N -3.71 0.94 -0.03 2.91 1.02 0.77 -4.77 119.74 116.88 1sbk s LYS 79 Ca 0.78 -1.45 0.05 0.00 0.02 0.00 0.00 55.97 55.37 1sbk s LYS 79 Cb -0.33 0.24 -0.01 0.00 -0.52 0.00 0.00 37.83 37.21 1sbk s LYS 79 CO 0.44 -0.27 -0.18 0.54 -0.92 0.00 0.00 175.35 174.96 1sbk s VAL 80 N -4.06 1.48 -0.02 3.17 0.11 -1.26 -1.28 120.40 118.55 1sbk s VAL 80 Ca 0.25 -0.78 0.04 0.00 -2.93 0.00 0.00 61.98 58.56 1sbk s VAL 80 Cb 0.07 -1.25 -0.01 0.00 -1.53 0.00 0.00 36.38 33.67 1sbk s VAL 80 CO 0.02 0.42 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.38 1sbk s VAL 81 N -0.27 1.16 0.00 2.04 1.01 -0.82 -4.97 120.40 118.54 1sbk s VAL 81 Ca 0.03 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 1sbk s VAL 81 Cb -0.09 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1sbk s VAL 81 CO 0.00 0.33 1.02 -0.83 0.00 0.00 0.00 175.10 175.63 1sbk s GLY 82 N -0.25 2.77 -0.25 4.51 0.00 -1.26 -1.37 107.32 111.47 1sbk s GLY 82 Ca 0.04 0.58 -0.14 0.00 0.00 0.00 0.00 44.72 45.20 1sbk s GLY 82 CO -0.00 1.78 -0.34 1.04 0.00 0.00 0.00 173.10 175.57 1sbk n LEU 83 N 4.01 1.89 -3.97 0.66 4.32 0.25 -4.94 117.00 119.22 1sbk n LEU 83 Ca 0.07 0.33 -0.13 0.00 -0.02 0.00 0.00 56.01 56.26 1sbk n LEU 83 Cb 0.50 -0.78 -0.13 0.00 -1.62 0.00 0.00 43.42 41.39 1sbk n LEU 83 CO 0.53 0.42 -0.38 -0.70 -1.22 0.00 0.00 177.39 176.03 1sbk s GLU 84 N -2.55 0.33 -0.03 3.23 2.56 -1.14 -5.01 118.70 116.09 1sbk s GLU 84 Ca -0.36 -0.39 -0.02 0.00 0.00 0.00 0.00 54.97 54.20 1sbk s GLU 84 Cb 0.13 -0.17 0.02 0.00 2.00 0.00 0.00 34.13 36.10 1sbk s GLU 84 CO 0.46 0.03 0.08 -1.50 -0.56 0.00 0.00 175.26 173.77 1sbk s ILE 85 N -0.73 -0.02 0.02 -3.70 1.10 -1.26 -0.37 121.20 116.25 1sbk s ILE 85 Ca -0.06 0.07 0.01 0.00 -0.51 0.00 0.00 60.65 60.16 1sbk s ILE 85 Cb -0.06 -0.13 -0.02 0.00 0.15 0.00 0.00 42.46 42.41 1sbk s ILE 85 CO -0.00 0.03 -0.04 0.54 -2.11 0.00 0.00 174.94 173.35 1sbk s ASN 86 N 0.40 0.40 -0.11 4.50 2.20 -0.78 -5.00 114.94 116.56 1sbk s ASN 86 Ca -0.03 -0.49 -0.19 0.00 -0.94 0.00 0.00 52.86 51.21 1sbk s ASN 86 Cb -0.04 0.08 0.05 0.00 -2.00 0.00 0.00 41.25 39.33 1sbk s ASN 86 CO -0.01 -0.26 0.48 0.00 -2.94 0.00 0.00 177.10 174.37 1sbk s ALA 87 N -1.36 -1.21 -0.22 3.54 0.00 -1.26 -1.31 121.76 119.94 1sbk s ALA 87 Ca -0.13 1.07 -0.04 0.00 0.00 0.00 0.00 51.96 52.86 1sbk s ALA 87 Cb -0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 1sbk s ALA 87 CO -0.01 -0.27 -0.05 -0.80 0.00 0.00 0.00 175.76 174.63 1sbk s ASN 88 N -0.52 4.25 -0.45 0.00 -0.87 -0.08 -4.98 114.94 112.30 1sbk s ASN 88 Ca -0.06 -0.42 -0.22 0.00 -1.57 0.00 0.00 52.86 50.59 1sbk s ASN 88 Cb -0.03 -1.73 0.03 0.00 -0.02 0.00 0.00 41.25 39.50 1sbk s ASN 88 CO 0.04 -0.02 0.75 -1.00 -2.57 0.00 0.00 177.10 174.29 1sbk s HIS 89 N 1.47 3.01 -0.11 2.20 3.76 -1.26 -1.57 115.29 122.79 1sbk s HIS 89 Ca 0.06 0.10 0.20 0.00 -0.15 0.00 0.00 55.06 55.26 1sbk s HIS 89 Cb -0.14 -3.58 -0.27 0.00 1.11 0.00 0.00 32.58 29.70 1sbk s HIS 89 CO -0.04 -0.96 0.42 1.33 -0.85 0.00 0.00 174.74 174.64 1sbk n VAL 90 N 6.06 0.64 -3.69 -0.90 0.24 -0.01 -4.99 118.33 115.68 1sbk n VAL 90 Ca 0.01 -0.65 -0.14 0.00 -2.04 0.00 0.00 64.34 61.52 1sbk n VAL 90 Cb 0.48 -0.26 -0.08 0.00 -1.47 0.00 0.00 33.84 32.51 1sbk n VAL 90 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1sbk s ARG 91 N -3.10 0.81 0.32 7.34 3.52 -0.82 -4.97 118.95 122.06 1sbk s ARG 91 Ca -0.08 -0.14 0.04 0.00 -0.13 0.00 0.00 55.73 55.43 1sbk s ARG 91 Cb 0.10 0.37 -0.02 0.00 -1.56 0.00 0.00 34.95 33.84 1sbk s ARG 91 CO 0.86 -0.25 0.47 -1.54 -0.81 0.00 0.00 175.30 174.04 1sbk s SER 92 N -1.46 6.12 0.09 -2.12 1.04 -1.26 -4.59 113.70 111.51 1sbk s SER 92 Ca -0.11 0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.44 1sbk s SER 92 Cb -0.03 -1.60 -0.03 0.00 0.10 0.00 0.00 66.02 64.46 1sbk s SER 92 CO 0.04 -0.32 -0.17 0.00 0.98 0.00 0.00 173.24 173.77 1sbk s ALA 93 N -2.18 1.44 0.00 5.32 0.00 -1.26 -4.99 121.76 120.09 1sbk s ALA 93 Ca 0.41 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1sbk s ALA 93 Cb -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1sbk s ALA 93 CO 0.32 0.24 0.00 0.54 0.00 0.00 0.00 175.76 176.86 1sbk n ARG 94 N 1.15 1.20 -3.56 0.00 3.00 -1.26 -0.96 116.66 116.23 1sbk n ARG 94 Ca -0.20 0.00 -0.09 0.00 -0.01 0.00 0.00 57.85 57.55 1sbk n ARG 94 Cb 0.54 -0.90 0.02 0.00 0.00 0.00 0.00 32.46 32.11 1sbk n ARG 94 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1sbk n GLU 95 N -1.23 0.97 0.00 5.56 0.28 -1.26 -4.88 120.64 120.08 1sbk n GLU 95 Ca 0.00 -2.11 0.00 0.00 -0.16 0.00 0.00 57.16 54.89 1sbk n GLU 95 Cb 0.01 2.52 0.00 0.00 1.43 0.00 0.00 31.44 35.40 1sbk n GLU 95 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1sbk n GLY 96 N -0.49 1.97 3.04 -1.84 0.00 -1.26 -4.66 105.19 101.94 1sbk n GLY 96 Ca -0.07 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 1sbk n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sbk s ARG 97 N 0.00 0.47 0.27 1.61 0.52 -1.26 0.36 118.95 120.93 1sbk s ARG 97 Ca 0.00 -0.68 0.08 0.00 -0.52 0.00 0.00 55.73 54.61 1sbk s ARG 97 Cb 0.00 -0.22 -0.04 0.00 0.52 0.00 0.00 34.95 35.22 1sbk s ARG 97 CO 0.00 0.03 0.14 0.14 0.02 0.00 0.00 175.30 175.63 1sbk s VAL 98 N -1.30 3.92 -0.04 3.52 -7.23 -1.26 -3.38 120.40 114.64 1sbk s VAL 98 Ca -0.10 -1.59 0.01 0.00 -1.81 0.00 0.00 61.98 58.49 1sbk s VAL 98 Cb -0.09 -3.17 0.02 0.00 0.56 0.00 0.00 36.38 33.70 1sbk s VAL 98 CO 0.00 -0.33 -0.05 0.00 -0.31 0.00 0.00 175.10 174.41 1sbk s ARG 99 N -3.80 0.77 -0.15 4.82 1.70 -0.04 -4.31 118.95 117.94 1sbk s ARG 99 Ca 0.34 -0.13 -0.12 0.00 -0.47 0.00 0.00 55.73 55.34 1sbk s ARG 99 Cb -0.07 -0.77 -0.05 0.00 -0.57 0.00 0.00 34.95 33.50 1sbk s ARG 99 CO 0.23 -0.03 0.25 0.20 -1.08 0.00 0.00 175.30 174.87 1sbk s GLY 100 N 0.70 2.20 -0.21 3.88 0.00 0.78 -1.21 107.32 113.46 1sbk s GLY 100 Ca -0.09 -0.50 -0.04 0.00 0.00 0.00 0.00 44.72 44.09 1sbk s GLY 100 CO 0.00 0.22 -0.05 0.14 0.00 0.00 0.00 173.10 173.42 1sbk s VAL 101 N 0.06 3.42 -0.17 1.40 1.01 0.49 -2.21 120.40 124.40 1sbk s VAL 101 Ca 0.15 -0.48 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 1sbk s VAL 101 Cb -0.13 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1sbk s VAL 101 CO 0.04 0.44 -0.14 0.00 0.00 0.00 0.00 175.10 175.43 1sbk s LYS 103 N 1.07 1.01 0.27 0.00 -2.85 -0.62 -1.62 119.74 116.99 1sbk s LYS 103 Ca -0.00 -1.23 -0.21 0.00 -1.00 0.00 0.00 55.97 53.52 1sbk s LYS 103 Cb -0.15 -0.88 -0.09 0.00 -2.06 0.00 0.00 37.83 34.65 1sbk s LYS 103 CO -0.04 0.17 0.80 -1.25 0.10 0.00 0.00 175.35 175.13 1sbk s PRO 104 N -2.67 4.33 -0.10 1.78 0.04 -1.26 -1.16 135.00 135.97 1sbk s PRO 104 Ca 0.09 1.00 0.09 0.00 0.04 0.00 0.00 61.00 62.21 1sbk s PRO 104 Cb -0.05 -2.79 -0.12 0.00 0.04 0.00 0.00 34.50 31.57 1sbk s PRO 104 CO 0.03 0.33 0.04 1.28 0.04 0.00 0.00 177.00 178.71 1sbk n LEU 105 N 0.54 0.00 -3.65 -3.56 4.77 -0.11 -4.88 117.00 110.11 1sbk n LEU 105 Ca -0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1sbk n LEU 105 Cb 0.51 0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.78 1sbk n LEU 105 CO 0.43 0.24 0.27 -2.28 -1.33 0.00 0.00 177.39 174.72 1sbk s HIS 106 N -2.25 -1.15 -0.63 -1.77 5.04 -0.97 -4.94 115.29 108.62 1sbk s HIS 106 Ca -0.05 2.13 0.05 0.00 -1.54 0.00 0.00 55.06 55.65 1sbk s HIS 106 Cb 0.03 0.67 0.16 0.00 0.04 0.00 0.00 32.58 33.48 1sbk s HIS 106 CO 0.41 -0.58 0.41 -0.51 -2.34 0.00 0.00 174.74 172.13 1sbk s LEU 107 N 2.27 4.49 0.00 8.88 1.43 -1.26 -0.82 118.68 133.67 1sbk s LEU 107 Ca -0.08 -3.55 -0.01 0.00 -1.03 0.00 0.00 54.13 49.47 1sbk s LEU 107 Cb -0.09 -1.58 0.06 0.00 0.03 0.00 0.00 46.19 44.61 1sbk s LEU 107 CO -0.19 -0.14 0.39 0.61 0.23 0.00 0.00 176.35 177.26 1sbk n GLY 108 N 2.38 0.46 0.07 -3.19 0.00 0.15 -5.01 105.19 100.04 1sbk n GLY 108 Ca 0.15 -1.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.15 1sbk n GLY 108 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1sbk h SER 109 N -0.28 0.02 0.00 1.61 0.02 -2.00 -3.38 113.55 109.54 1sbk h SER 109 Ca -0.13 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1sbk h SER 109 Cb 0.46 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 1sbk h SER 109 CO 0.13 1.02 -1.24 0.54 -1.14 0.00 0.00 176.83 176.14 1sbk n ARG 110 N -3.31 0.20 -4.04 3.45 1.74 -1.26 -4.76 116.66 108.68 1sbk n ARG 110 Ca -0.03 -0.05 -0.08 0.00 -0.77 0.00 0.00 57.85 56.92 1sbk n ARG 110 Cb 0.96 -1.12 -0.10 0.00 -1.02 0.00 0.00 32.46 31.17 1sbk n ARG 110 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1sbk s HIS 111 N -2.36 0.40 0.02 -1.55 3.76 -1.26 -1.02 115.29 113.28 1sbk s HIS 111 Ca -0.02 -0.81 0.01 0.00 -0.15 0.00 0.00 55.06 54.09 1sbk s HIS 111 Cb 0.03 -0.30 -0.02 0.00 1.11 0.00 0.00 32.58 33.41 1sbk s HIS 111 CO 0.22 -0.29 -0.04 -0.65 -0.85 0.00 0.00 174.74 173.13 1sbk s GLN 112 N -2.74 0.34 -0.09 1.40 -0.21 -0.93 0.32 119.66 117.75 1sbk s GLN 112 Ca -0.04 -0.54 -0.00 0.00 0.02 0.00 0.00 55.36 54.80 1sbk s GLN 112 Cb -0.01 -0.07 0.02 0.00 1.00 0.00 0.00 33.01 33.96 1sbk s GLN 112 CO -0.06 -0.00 -0.06 0.08 -2.12 0.00 0.00 175.29 173.14 1sbk s VAL 113 N -1.13 0.84 -0.05 1.09 1.01 -0.00 -0.24 120.40 121.91 1sbk s VAL 113 Ca -0.11 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1sbk s VAL 113 Cb -0.08 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 1sbk s VAL 113 CO -0.00 0.33 -0.15 0.26 0.00 0.00 0.00 175.10 175.53 1sbk s TRP 114 N 1.63 2.67 -0.22 5.22 0.52 0.71 -0.94 118.94 128.53 1sbk s TRP 114 Ca 0.02 -0.19 -0.06 0.00 0.02 0.00 0.00 56.10 55.89 1sbk s TRP 114 Cb -0.13 -1.62 -0.03 0.00 -1.15 0.00 0.00 33.47 30.55 1sbk s TRP 114 CO -0.06 0.16 0.02 -1.14 0.02 0.00 0.00 176.95 175.95 1sbk s GLN 115 N -0.70 3.63 -0.16 4.98 0.74 -0.31 -0.49 119.66 127.37 1sbk s GLN 115 Ca 0.11 -0.50 0.01 0.00 0.05 0.00 0.00 55.36 55.02 1sbk s GLN 115 Cb -0.11 -3.17 0.02 0.00 1.10 0.00 0.00 33.01 30.85 1sbk s GLN 115 CO 0.00 -0.06 -0.17 0.42 -0.55 0.00 0.00 175.29 174.93 1sbk s ILE 116 N 1.22 1.80 -0.16 -2.34 1.09 -0.02 -1.60 121.20 121.20 1sbk s ILE 116 Ca 0.04 -0.79 -0.03 0.00 -1.10 0.00 0.00 60.65 58.77 1sbk s ILE 116 Cb -0.15 -1.65 -0.02 0.00 -1.06 0.00 0.00 42.46 39.59 1sbk s ILE 116 CO 0.02 0.50 -0.05 -1.61 -0.10 0.00 0.00 174.94 173.70 1sbk s GLU 117 N 1.29 3.60 -0.12 2.79 0.41 -0.56 -1.07 118.70 125.04 1sbk s GLU 117 Ca 0.03 -0.55 -0.01 0.00 -0.41 0.00 0.00 54.97 54.02 1sbk s GLU 117 Cb -0.13 -2.89 -0.02 0.00 -1.78 0.00 0.00 34.13 29.31 1sbk s GLU 117 CO -0.10 0.19 -0.08 0.42 -0.49 0.00 0.00 175.26 175.21 1sbk s ILE 118 N 0.48 3.54 0.13 -1.63 1.01 -0.13 -0.38 121.20 124.23 1sbk s ILE 118 Ca -0.04 -0.50 0.09 0.00 0.00 0.00 0.00 60.65 60.20 1sbk s ILE 118 Cb -0.15 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1sbk s ILE 118 CO 0.03 0.53 -0.23 -0.36 0.00 0.00 0.00 174.94 174.91 1sbk s PHE 119 N 0.04 2.01 0.83 3.97 0.40 -0.35 0.07 117.98 124.96 1sbk s PHE 119 Ca -0.02 -0.41 -0.12 0.00 -0.60 0.00 0.00 56.93 55.79 1sbk s PHE 119 Cb -0.14 -1.08 0.12 0.00 0.51 0.00 0.00 43.02 42.43 1sbk s PHE 119 CO 0.03 0.29 1.18 0.16 0.70 0.00 0.00 175.22 177.59 1sbk s ASP 120 N -2.12 4.13 0.00 1.36 3.84 -0.33 -0.86 116.67 122.69 1sbk s ASP 120 Ca 0.11 0.50 0.04 0.00 -0.00 0.00 0.00 52.55 53.20 1sbk s ASP 120 Cb -0.09 -0.88 0.19 0.00 -1.38 0.00 0.00 42.92 40.76 1sbk s ASP 120 CO 0.06 -2.10 0.92 -1.84 -0.00 0.00 0.00 175.17 172.21 1sbk n GLU 121 N -3.35 0.06 0.00 2.11 0.28 -1.22 -0.83 120.64 117.69 1sbk n GLU 121 Ca 0.11 0.23 0.11 0.00 -0.16 0.00 0.00 57.16 57.45 1sbk n GLU 121 Cb 0.60 -1.50 0.04 0.00 1.43 0.00 0.00 31.44 32.02 1sbk n GLU 121 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1sbk n LYS 122 N -1.26 1.72 -0.29 3.44 5.02 -1.26 -4.95 118.16 120.59 1sbk n LYS 122 Ca 0.02 -1.42 0.00 0.00 -2.02 0.00 0.00 58.31 54.89 1sbk n LYS 122 Cb 0.03 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 1sbk n LYS 122 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sbk n GLY 123 N 1.38 0.74 3.74 0.72 0.00 -0.01 -5.06 105.19 106.70 1sbk n GLY 123 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1sbk n GLY 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sbk s ARG 124 N -0.71 4.59 0.13 1.61 0.52 -1.25 -4.80 118.95 119.04 1sbk s ARG 124 Ca 0.00 1.23 -0.31 0.00 -0.52 0.00 0.00 55.73 56.13 1sbk s ARG 124 Cb 0.00 -3.36 -0.09 0.00 0.52 0.00 0.00 34.95 32.02 1sbk s ARG 124 CO 0.00 0.29 1.57 -1.17 0.02 0.00 0.00 175.30 176.02 1sbk s LEU 125 N -0.18 4.37 -0.08 2.53 2.96 -1.26 -1.19 118.68 125.82 1sbk s LEU 125 Ca 0.41 2.55 0.05 0.00 -0.22 0.00 0.00 54.13 56.92 1sbk s LEU 125 Cb -0.22 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 42.80 1sbk s LEU 125 CO 0.26 -0.82 -0.01 0.00 -1.32 0.00 0.00 176.35 174.46 1sbk s SER 128 N 0.28 2.75 0.09 0.00 0.15 -0.61 -0.95 113.70 115.41 1sbk s SER 128 Ca -0.01 -0.51 -0.00 0.00 0.70 0.00 0.00 55.95 56.13 1sbk s SER 128 Cb -0.03 -1.22 -0.04 0.00 -1.71 0.00 0.00 66.02 63.02 1sbk s SER 128 CO -0.00 -0.05 -0.02 -0.94 1.20 0.00 0.00 173.24 173.43 1sbk s SER 129 N 1.46 0.64 -0.03 5.45 1.04 -0.23 -0.90 113.70 121.11 1sbk s SER 129 Ca 0.05 -1.06 0.02 0.00 0.48 0.00 0.00 55.95 55.44 1sbk s SER 129 Cb -0.13 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.20 1sbk s SER 129 CO -0.11 -0.60 -0.07 -0.13 0.98 0.00 0.00 173.24 173.31 1sbk s ARG 130 N -3.93 0.91 -0.15 4.02 0.52 -0.42 -0.84 118.95 119.05 1sbk s ARG 130 Ca 0.13 -0.23 0.01 0.00 -0.52 0.00 0.00 55.73 55.12 1sbk s ARG 130 Cb 0.07 -0.86 0.00 0.00 0.52 0.00 0.00 34.95 34.68 1sbk s ARG 130 CO -0.05 0.04 -0.17 -1.17 0.02 0.00 0.00 175.30 173.97 1sbk s LEU 131 N 0.45 2.39 -0.17 2.53 2.96 0.36 -1.86 118.68 125.34 1sbk s LEU 131 Ca -0.07 -0.50 -0.08 0.00 -0.22 0.00 0.00 54.13 53.25 1sbk s LEU 131 Cb -0.11 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1sbk s LEU 131 CO 0.01 0.08 0.11 -0.89 -1.32 0.00 0.00 176.35 174.33 1sbk s THR 132 N 0.85 5.22 0.26 3.68 2.01 0.51 -0.21 115.64 127.96 1sbk s THR 132 Ca -0.05 0.12 0.08 0.00 0.31 0.00 0.00 61.69 62.15 1sbk s THR 132 Cb -0.15 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 1sbk s THR 132 CO -0.01 0.49 -0.11 0.42 -0.69 0.00 0.00 174.62 174.72 1sbk s THR 133 N 0.03 1.83 0.03 -0.82 -4.23 0.66 -0.58 115.64 112.56 1sbk s THR 133 Ca 0.08 -2.20 0.09 0.00 -1.18 0.00 0.00 61.69 58.48 1sbk s THR 133 Cb -0.12 -2.30 -0.03 0.00 1.34 0.00 0.00 72.50 71.40 1sbk s THR 133 CO -0.00 -0.41 -0.26 0.00 -0.54 0.00 0.00 174.62 173.41 1sbk s ALA 134 N -2.90 2.24 -0.25 3.99 0.00 -0.47 -2.20 121.76 122.17 1sbk s ALA 134 Ca 0.27 -1.24 -0.09 0.00 0.00 0.00 0.00 51.96 50.90 1sbk s ALA 134 Cb 0.01 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1sbk s ALA 134 CO 0.11 0.53 0.14 0.42 0.00 0.00 0.00 175.76 176.96 1sbk s ILE 135 N -0.77 4.99 0.24 0.00 1.01 -0.19 -1.95 121.20 124.53 1sbk s ILE 135 Ca 0.11 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.83 1sbk s ILE 135 Cb -0.10 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 1sbk s ILE 135 CO 0.01 0.32 0.08 -0.76 0.00 0.00 0.00 174.94 174.59 1sbk s LEU 136 N 1.43 1.72 0.00 2.97 1.43 -0.40 -4.84 118.68 120.99 1sbk s LEU 136 Ca 0.06 -1.34 0.00 0.00 -1.03 0.00 0.00 54.13 51.82 1sbk s LEU 136 Cb -0.15 0.01 0.00 0.00 0.03 0.00 0.00 46.19 46.08 1sbk s LEU 136 CO 0.07 -0.70 0.00 0.18 0.23 0.00 0.00 176.35 176.13 1sbk n LEU 137 N -0.42 0.00 0.00 1.79 4.77 -1.26 -0.17 117.00 121.71 1sbk n LEU 137 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1sbk n LEU 137 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1sbk n LEU 137 CO 0.37 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.64