#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 3.11 -0.20 4.28 0.52 -1.26 -4.63 118.94 120.77 1sbk s TRP 3 Ca 0.00 1.58 0.02 0.00 0.02 0.00 0.00 56.10 57.72 1sbk s TRP 3 Cb 0.00 -2.98 0.01 0.00 -1.15 0.00 0.00 33.47 29.35 1sbk s TRP 3 CO 0.00 -0.59 0.51 1.63 0.02 0.00 0.00 176.95 178.52 1sbk n LYS 4 N -0.91 -0.12 -4.86 4.98 5.02 0.13 -4.95 118.16 117.45 1sbk n LYS 4 Ca 0.08 -0.55 -0.27 0.00 -2.02 0.00 0.00 58.31 55.56 1sbk n LYS 4 Cb 0.53 -0.99 -0.16 0.00 -0.02 0.00 0.00 35.03 34.39 1sbk n LYS 4 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1sbk s ARG 5 N -0.23 2.07 -0.67 1.97 0.52 -1.13 -4.82 118.95 116.66 1sbk s ARG 5 Ca 0.02 -0.62 -0.16 0.00 -0.52 0.00 0.00 55.73 54.45 1sbk s ARG 5 Cb 0.01 -1.70 0.15 0.00 0.52 0.00 0.00 34.95 33.94 1sbk s ARG 5 CO 0.02 0.16 0.67 0.15 0.02 0.00 0.00 175.30 176.33 1sbk s LYS 6 N 0.30 3.24 -0.05 3.54 1.02 -1.26 -4.99 119.74 121.54 1sbk s LYS 6 Ca -0.11 -1.89 0.01 0.00 0.02 0.00 0.00 55.97 54.01 1sbk s LYS 6 Cb -0.14 -4.38 0.02 0.00 -0.52 0.00 0.00 37.83 32.81 1sbk s LYS 6 CO 0.04 -1.39 -0.04 -1.50 -0.92 0.00 0.00 175.35 171.54 1sbk s ILE 7 N 1.41 0.53 0.90 2.17 2.07 -1.26 -5.15 121.20 121.88 1sbk s ILE 7 Ca 0.11 -0.11 -0.12 0.00 -1.41 0.00 0.00 60.65 59.13 1sbk s ILE 7 Cb -0.21 -0.57 0.13 0.00 0.13 0.00 0.00 42.46 41.95 1sbk s ILE 7 CO -0.01 0.23 1.09 0.42 -1.91 0.00 0.00 174.94 174.76 1sbk s THR 8 N 1.00 2.58 0.19 4.00 -4.23 -1.26 -4.86 115.64 113.05 1sbk s THR 8 Ca -0.10 0.19 -0.11 0.00 -1.18 0.00 0.00 61.69 60.49 1sbk s THR 8 Cb -0.14 -2.71 0.10 0.00 1.34 0.00 0.00 72.50 71.09 1sbk s THR 8 CO -0.00 -0.25 1.74 -0.07 -0.54 0.00 0.00 174.62 175.50 1sbk h LEU 9 N -1.56 0.91 -0.46 4.79 3.38 -1.99 -1.85 115.31 118.53 1sbk h LEU 9 Ca -0.50 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 57.39 1sbk h LEU 9 Cb 1.29 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 41.72 1sbk h LEU 9 CO 0.56 0.84 -0.12 -0.08 0.09 0.00 0.00 178.44 179.72 1sbk h GLU 10 N 0.93 -0.00 -0.37 1.13 4.81 -1.92 -0.68 114.58 118.47 1sbk h GLU 10 Ca 0.22 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.35 1sbk h GLU 10 Cb 0.21 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1sbk h GLU 10 CO -0.02 -0.00 -0.17 0.00 -0.73 0.00 0.00 179.01 178.09 1sbk h ALA 11 N 1.45 1.00 -0.51 2.92 0.00 -1.86 -0.99 119.26 121.27 1sbk h ALA 11 Ca 0.22 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1sbk h ALA 11 Cb 0.34 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1sbk h ALA 11 CO -0.47 0.59 0.22 -0.07 0.00 0.00 0.00 179.25 179.52 1sbk h LEU 12 N 0.62 0.69 -0.92 0.00 3.38 -0.47 -2.59 115.31 116.02 1sbk h LEU 12 Ca 0.10 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1sbk h LEU 12 Cb 0.64 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1sbk h LEU 12 CO 0.05 0.65 -0.39 0.78 0.09 0.00 0.00 178.44 179.62 1sbk h ASN 13 N 0.68 0.31 0.00 -0.43 2.35 -0.98 -3.02 115.58 114.49 1sbk h ASN 13 Ca 0.17 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1sbk h ASN 13 Cb 0.17 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1sbk h ASN 13 CO -0.02 0.67 0.00 0.00 -1.65 0.00 0.00 177.43 176.44 1sbk n ALA 14 N -2.48 1.57 0.00 -0.83 0.00 -0.39 -3.24 120.51 115.14 1sbk n ALA 14 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1sbk n ALA 14 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 0.96 0.00 3.74 0.00 0.00 -1.14 -4.87 105.19 103.88 1sbk n GLY 16 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 4.62 0.00 1.61 0.41 -1.20 -0.52 118.70 123.63 1sbk s GLU 17 Ca 0.00 1.73 0.00 0.00 -0.41 0.00 0.00 54.97 56.29 1sbk s GLU 17 Cb 0.00 -3.25 0.00 0.00 -1.78 0.00 0.00 34.13 29.10 1sbk s GLU 17 CO 0.00 0.14 0.00 0.41 -0.49 0.00 0.00 175.26 175.32 1sbk n GLY 18 N 1.78 0.73 0.00 -1.39 0.00 -1.26 -4.95 105.19 100.10 1sbk n GLY 18 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.16 -5.03 115.26 110.91 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 -0.06 3.53 0.31 -1.26 -1.72 118.33 119.13 1sbk n VAL 21 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 1sbk n VAL 21 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 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 0.94 0.47 2.92 0.00 -1.08 -0.32 103.07 106.00 1sbk h GLY 22 Ca 0.00 -1.18 0.11 0.00 0.00 0.00 0.00 47.33 46.26 1sbk h GLY 22 CO 0.00 1.06 0.56 -2.75 0.00 0.00 0.00 176.54 175.41 1sbk h PHE 23 N 0.63 1.01 -0.22 5.60 3.57 -1.57 -0.91 116.94 125.06 1sbk h PHE 23 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1sbk h PHE 23 Cb 1.25 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1sbk h PHE 23 CO 0.08 0.39 0.00 1.28 -2.23 0.00 0.00 178.31 177.83 1sbk n LEU 24 N -4.68 2.07 -3.66 0.59 4.77 -1.21 -4.94 117.00 109.94 1sbk n LEU 24 Ca 0.17 -0.87 -0.25 0.00 -0.03 0.00 0.00 56.01 55.03 1sbk n LEU 24 Cb 0.33 -0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1sbk n LEU 24 CO 0.27 0.44 0.22 -0.67 -1.33 0.00 0.00 177.39 176.31 1sbk n ASP 25 N 0.59 -5.95 -4.68 -1.43 2.03 -0.35 -4.38 116.55 102.39 1sbk n ASP 25 Ca 0.17 -0.59 -0.43 0.00 0.52 0.00 0.00 54.79 54.46 1sbk n ASP 25 Cb 0.39 -4.82 -0.02 0.00 -0.72 0.00 0.00 41.12 35.95 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 -3.32 4.48 -0.11 5.18 1.01 -0.16 -4.41 121.20 123.87 1sbk s ILE 26 Ca 0.58 1.78 0.02 0.00 0.00 0.00 0.00 60.65 63.03 1sbk s ILE 26 Cb -0.27 -4.15 0.01 0.00 0.01 0.00 0.00 42.46 38.07 1sbk s ILE 26 CO 0.75 -0.06 -0.16 -0.13 0.00 0.00 0.00 174.94 175.35 1sbk s ARG 27 N 2.57 2.27 0.10 2.79 0.52 -0.31 -4.70 118.95 122.18 1sbk s ARG 27 Ca 0.52 -0.58 -0.30 0.00 -0.52 0.00 0.00 55.73 54.85 1sbk s ARG 27 Cb -0.21 -1.93 -0.06 0.00 0.52 0.00 0.00 34.95 33.27 1sbk s ARG 27 CO 0.17 -0.07 1.13 -0.06 0.02 0.00 0.00 175.30 176.49 1sbk s PHE 28 N 1.01 3.53 0.00 -0.53 0.40 -1.26 -0.75 117.98 120.38 1sbk s PHE 28 Ca -0.06 1.47 0.00 0.00 -0.60 0.00 0.00 56.93 57.74 1sbk s PHE 28 Cb -0.15 -3.33 0.00 0.00 0.51 0.00 0.00 43.02 40.06 1sbk s PHE 28 CO -0.02 -0.86 0.16 0.39 0.70 0.00 0.00 175.22 175.59 1sbk n GLU 29 N 3.31 3.55 -3.64 0.44 1.02 -0.22 -4.94 120.64 120.16 1sbk n GLU 29 Ca 0.06 -0.16 -0.08 0.00 -0.02 0.00 0.00 57.16 56.97 1sbk n GLU 29 Cb 0.47 -0.61 -0.07 0.00 -0.02 0.00 0.00 31.44 31.21 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 -0.55 -0.81 -0.22 -0.32 5.04 -1.13 -5.00 115.29 112.30 1sbk s HIS 30 Ca 0.00 1.73 0.01 0.00 -1.54 0.00 0.00 55.06 55.26 1sbk s HIS 30 Cb 0.00 0.46 0.05 0.00 0.04 0.00 0.00 32.58 33.12 1sbk s HIS 30 CO 0.00 -0.40 -0.12 0.42 -2.34 0.00 0.00 174.74 172.31 1sbk s ILE 31 N 1.11 1.85 0.00 0.89 1.01 -1.26 -0.80 121.20 124.00 1sbk s ILE 31 Ca -0.06 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.39 1sbk s ILE 31 Cb -0.05 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.51 1sbk s ILE 31 CO -0.13 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.57 1sbk n GLY 32 N 4.60 1.92 0.24 6.18 0.00 0.12 -4.98 105.19 113.28 1sbk n GLY 32 Ca -0.15 -2.09 -0.02 0.00 0.00 0.00 0.00 46.02 43.75 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 0.48 -0.02 1.61 3.45 -2.03 -3.36 116.42 116.55 1sbk h ASP 33 Ca 0.00 -0.14 -0.16 0.00 0.43 0.00 0.00 57.03 57.16 1sbk h ASP 33 Cb 0.00 -0.13 -0.26 0.00 -0.56 0.00 0.00 39.33 38.38 1sbk h ASP 33 CO 0.00 0.68 -0.65 -0.90 -1.57 0.00 0.00 179.24 176.80 1sbk n ASP 34 N -4.16 -0.03 -3.88 6.45 5.75 -1.26 -2.19 116.55 117.22 1sbk n ASP 34 Ca 0.00 -2.01 -0.11 0.00 -0.01 0.00 0.00 54.79 52.66 1sbk n ASP 34 Cb 0.37 0.02 -0.10 0.00 -1.03 0.00 0.00 41.12 40.38 1sbk n ASP 34 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1sbk s THR 35 N -0.18 0.09 -0.02 2.12 2.01 -1.26 -4.18 115.64 114.21 1sbk s THR 35 Ca 0.17 -0.70 0.02 0.00 0.31 0.00 0.00 61.69 61.48 1sbk s THR 35 Cb 0.21 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.32 1sbk s THR 35 CO -0.08 -0.39 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.16 1sbk s LEU 36 N -1.36 1.82 0.03 4.42 2.96 -0.45 0.15 118.68 126.24 1sbk s LEU 36 Ca -0.15 -0.17 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 1sbk s LEU 36 Cb -0.08 -0.49 -0.02 0.00 0.50 0.00 0.00 46.19 46.10 1sbk s LEU 36 CO 0.01 0.06 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.38 1sbk s GLU 37 N 0.14 0.82 0.00 1.98 2.02 0.02 -0.46 118.70 123.22 1sbk s GLU 37 Ca -0.02 -0.67 -0.14 0.00 0.02 0.00 0.00 54.97 54.16 1sbk s GLU 37 Cb -0.07 -0.78 0.02 0.00 0.10 0.00 0.00 34.13 33.39 1sbk s GLU 37 CO 0.00 0.19 0.30 0.00 0.02 0.00 0.00 175.26 175.77 1sbk s ALA 38 N -0.81 -0.73 0.00 5.21 0.00 -0.90 -1.06 121.76 123.48 1sbk s ALA 38 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1sbk s ALA 38 Cb -0.07 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1sbk s ALA 38 CO 0.01 -0.30 0.00 0.25 0.00 0.00 0.00 175.76 175.72 1sbk n THR 39 N 1.09 0.00 -4.38 0.00 -2.24 0.08 -0.18 114.28 108.65 1sbk n THR 39 Ca -0.21 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.31 1sbk n THR 39 Cb 0.57 -0.23 -0.11 0.00 -2.10 0.00 0.00 70.33 68.46 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 -0.01 1.75 -0.73 -0.78 0.04 -1.26 -1.16 135.00 132.85 1sbk s PRO 41 Ca 0.00 -1.46 -0.09 0.00 0.04 0.00 0.00 61.00 59.49 1sbk s PRO 41 Cb 0.00 -1.96 0.19 0.00 0.04 0.00 0.00 34.50 32.77 1sbk s PRO 41 CO 0.00 0.40 0.62 0.08 0.04 0.00 0.00 177.00 178.14 1sbk s VAL 42 N -1.79 4.77 0.00 -0.36 1.01 -0.17 -4.77 120.40 119.09 1sbk s VAL 42 Ca 0.23 -2.66 0.00 0.00 0.00 0.00 0.00 61.98 59.55 1sbk s VAL 42 Cb -0.08 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1sbk s VAL 42 CO 0.13 -0.96 0.00 -0.90 0.00 0.00 0.00 175.10 173.37 1sbk n ASP 43 N 3.79 0.09 -0.09 3.32 5.68 -1.26 -4.45 116.55 123.63 1sbk n ASP 43 Ca 0.10 -0.19 0.21 0.00 -0.50 0.00 0.00 54.79 54.42 1sbk n ASP 43 Cb 0.43 0.00 0.64 0.00 -1.14 0.00 0.00 41.12 41.05 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 0.00 0.12 0.28 -1.12 4.64 -1.94 -0.25 113.55 115.26 1sbk h SER 44 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1sbk h SER 44 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1sbk h SER 44 CO 0.00 0.06 -0.19 0.54 -0.87 0.00 0.00 176.83 176.36 1sbk n ARG 45 N -4.39 0.81 0.00 4.77 1.74 -1.26 -4.13 116.66 114.20 1sbk n ARG 45 Ca 0.13 -0.41 0.00 0.00 -0.77 0.00 0.00 57.85 56.80 1sbk n ARG 45 Cb 0.67 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 1sbk n ARG 45 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1sbk n THR 46 N -0.74 0.29 -3.94 0.55 -2.24 -0.47 -4.99 114.28 102.73 1sbk n THR 46 Ca 0.13 -0.33 -0.25 0.00 -2.27 0.00 0.00 64.05 61.33 1sbk n THR 46 Cb 0.32 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.52 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 -0.29 3.44 0.77 -0.78 1.02 -0.23 -0.07 119.74 123.60 1sbk s LYS 47 Ca 0.00 -0.61 -0.06 0.00 0.02 0.00 0.00 55.97 55.31 1sbk s LYS 47 Cb 0.00 -2.95 0.12 0.00 -0.52 0.00 0.00 37.83 34.48 1sbk s LYS 47 CO 0.00 0.51 1.07 1.14 -0.92 0.00 0.00 175.35 177.15 1sbk s GLN 48 N -3.33 1.62 0.00 1.68 -2.07 0.90 -4.65 119.66 113.80 1sbk s GLN 48 Ca 0.35 -0.66 0.00 0.00 -1.82 0.00 0.00 55.36 53.23 1sbk s GLN 48 Cb -0.11 -2.17 0.00 0.00 -1.09 0.00 0.00 33.01 29.64 1sbk s GLN 48 CO 0.29 -1.59 0.63 -2.30 -1.32 0.00 0.00 175.29 170.99 1sbk n PRO 49 N -3.07 0.00 -0.07 9.60 -0.02 -1.26 -2.49 135.00 137.69 1sbk n PRO 49 Ca 0.13 0.14 0.06 0.00 -2.02 0.00 0.00 63.50 61.81 1sbk n PRO 49 Cb 0.60 -1.51 0.10 0.00 -0.02 0.00 0.00 33.50 32.68 1sbk n PRO 49 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1sbk n PHE 50 N -1.13 0.07 -0.30 6.00 3.01 -1.26 -4.99 117.46 118.86 1sbk n PHE 50 Ca 0.00 -0.81 0.00 0.00 1.01 0.00 0.00 57.45 57.65 1sbk n PHE 50 Cb 0.01 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.35 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 -1.01 0.94 3.92 1.37 0.00 -1.04 -5.06 105.19 104.31 1sbk n GLY 51 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 4.22 0.23 0.99 1.43 -1.26 -4.59 118.68 119.70 1sbk s LEU 52 Ca 0.00 0.45 -0.31 0.00 -1.03 0.00 0.00 54.13 53.24 1sbk s LEU 52 Cb 0.00 -3.21 -0.11 0.00 0.03 0.00 0.00 46.19 42.90 1sbk s LEU 52 CO 0.00 -0.03 1.63 -0.22 0.23 0.00 0.00 176.35 177.96 1sbk s LEU 53 N -3.21 4.36 0.03 1.79 0.20 0.58 -0.07 118.68 122.36 1sbk s LEU 53 Ca 0.39 2.82 -0.30 0.00 0.69 0.00 0.00 54.13 57.73 1sbk s LEU 53 Cb -0.11 -3.61 -0.06 0.00 -0.43 0.00 0.00 46.19 41.98 1sbk s LEU 53 CO 0.28 -0.90 1.39 -2.28 -0.29 0.00 0.00 176.35 174.55 1sbk s HIS 54 N 0.73 2.96 0.56 5.38 5.65 0.90 -4.68 115.29 126.78 1sbk s HIS 54 Ca 0.69 0.87 0.29 0.00 0.25 0.00 0.00 55.06 57.16 1sbk s HIS 54 Cb -0.47 -3.66 1.46 0.00 -1.18 0.00 0.00 32.58 28.74 1sbk s HIS 54 CO 0.37 -2.38 1.91 0.78 -0.65 0.00 0.00 174.74 174.77 1sbk h GLY 55 N 7.96 0.00 1.67 1.59 0.00 -1.91 0.22 103.07 112.60 1sbk h GLY 55 Ca -0.39 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 1sbk h GLY 55 CO 0.89 0.00 -0.36 -1.33 0.00 0.00 0.00 176.54 175.74 1sbk h GLY 56 N 0.00 0.40 1.31 4.60 0.00 -1.94 -2.88 103.07 104.56 1sbk h GLY 56 Ca 0.30 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 1sbk h GLY 56 CO -0.00 0.33 -0.15 0.00 0.00 0.00 0.00 176.54 176.72 1sbk h ALA 57 N 1.31 0.93 -0.47 3.60 0.00 -0.87 -0.69 119.26 123.07 1sbk h ALA 57 Ca 0.03 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1sbk h ALA 57 Cb 0.78 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1sbk h ALA 57 CO 0.06 0.62 0.13 0.77 0.00 0.00 0.00 179.25 180.83 1sbk h SER 58 N 0.72 0.65 0.12 0.00 0.02 -1.43 0.05 113.55 113.67 1sbk h SER 58 Ca 0.11 -0.10 -0.18 0.00 -0.84 0.00 0.00 61.79 60.79 1sbk h SER 58 Cb 0.65 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 1sbk h SER 58 CO 0.05 0.64 -0.65 0.58 -1.14 0.00 0.00 176.83 176.31 1sbk h VAL 59 N 0.68 1.34 -0.48 2.27 2.07 -1.24 -1.08 116.25 119.81 1sbk h VAL 59 Ca 0.16 -1.96 -0.01 0.00 0.82 0.00 0.00 66.70 65.71 1sbk h VAL 59 Cb 0.24 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1sbk h VAL 59 CO -0.00 0.60 0.28 0.58 0.02 0.00 0.00 177.57 179.04 1sbk h VAL 60 N 0.37 1.16 -0.33 2.57 2.07 -0.37 -0.04 116.25 121.67 1sbk h VAL 60 Ca -0.01 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1sbk h VAL 60 Cb 1.21 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1sbk h VAL 60 CO 0.12 0.17 0.21 0.25 0.02 0.00 0.00 177.57 178.33 1sbk h LEU 61 N 0.64 0.35 0.18 2.57 5.85 -0.86 -0.46 115.31 123.58 1sbk h LEU 61 Ca 0.17 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1sbk h LEU 61 Cb 0.03 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1sbk h LEU 61 CO -0.03 0.25 -0.09 0.00 -0.34 0.00 0.00 178.44 178.23 1sbk h ALA 62 N 1.13 -0.25 -0.50 1.25 0.00 -0.81 -1.91 119.26 118.18 1sbk h ALA 62 Ca 0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1sbk h ALA 62 Cb -0.03 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1sbk h ALA 62 CO -0.04 -0.61 0.13 1.49 0.00 0.00 0.00 179.25 180.21 1sbk h GLU 63 N -0.30 0.75 0.02 0.00 4.81 -0.94 -0.90 114.58 118.01 1sbk h GLU 63 Ca -0.03 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1sbk h GLU 63 Cb 0.23 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1sbk h GLU 63 CO 0.04 0.67 -0.01 0.77 -0.73 0.00 0.00 179.01 179.76 1sbk h SER 64 N 0.72 -0.02 -0.20 1.04 0.02 -0.90 0.10 113.55 114.32 1sbk h SER 64 Ca 0.16 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1sbk h SER 64 Cb 0.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1sbk h SER 64 CO -0.00 0.13 0.05 0.40 -1.14 0.00 0.00 176.83 176.26 1sbk h ILE 65 N -0.17 1.21 -0.76 3.27 2.04 -1.21 -2.21 117.51 119.68 1sbk h ILE 65 Ca -0.00 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1sbk h ILE 65 Cb 0.16 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1sbk h ILE 65 CO 0.00 0.21 0.44 1.23 0.00 0.00 0.00 178.15 180.03 1sbk h GLY 66 N 0.13 1.12 1.31 5.37 0.00 -1.12 -0.69 103.07 109.18 1sbk h GLY 66 Ca 0.06 -0.48 -0.15 0.00 0.00 0.00 0.00 47.33 46.76 1sbk h GLY 66 CO 0.00 0.47 -0.40 1.48 0.00 0.00 0.00 176.54 178.09 1sbk h SER 67 N 1.04 0.80 -0.16 0.19 4.64 -0.93 0.74 113.55 119.87 1sbk h SER 67 Ca 0.27 -0.37 -0.16 0.00 -0.47 0.00 0.00 61.79 61.06 1sbk h SER 67 Cb -0.00 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 61.85 1sbk h SER 67 CO -0.05 1.10 -0.49 -0.37 -0.87 0.00 0.00 176.83 176.16 1sbk h VAL 68 N 0.62 1.29 -0.37 0.95 -1.51 -1.27 0.70 116.25 116.66 1sbk h VAL 68 Ca 0.05 -1.69 -0.03 0.00 -1.23 0.00 0.00 66.70 63.80 1sbk h VAL 68 Cb 0.95 1.61 -0.02 0.00 -2.13 0.00 0.00 31.29 31.70 1sbk h VAL 68 CO 0.09 0.54 0.13 0.00 -1.23 0.00 0.00 177.57 177.10 1sbk h ALA 69 N 0.87 0.48 -0.56 5.19 0.00 -0.97 0.11 119.26 124.37 1sbk h ALA 69 Ca 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1sbk h ALA 69 Cb 1.06 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1sbk h ALA 69 CO 0.10 0.10 0.32 0.78 0.00 0.00 0.00 179.25 180.55 1sbk h GLY 70 N 0.44 0.83 0.70 0.00 0.00 -0.69 -2.47 103.07 101.89 1sbk h GLY 70 Ca 0.12 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.13 1sbk h GLY 70 CO -0.01 0.35 0.21 -1.82 0.00 0.00 0.00 176.54 175.27 1sbk h TYR 71 N 0.75 0.38 0.00 5.60 3.20 -0.48 -0.99 116.97 125.43 1sbk h TYR 71 Ca 0.20 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1sbk h TYR 71 Cb 0.03 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.20 1sbk h TYR 71 CO -0.02 0.17 0.00 1.28 -1.64 0.00 0.00 178.16 177.96 1sbk n LEU 72 N -4.94 0.35 -0.91 2.82 4.32 0.35 -1.29 117.00 117.70 1sbk n LEU 72 Ca 0.03 0.65 0.12 0.00 -0.02 0.00 0.00 56.01 56.79 1sbk n LEU 72 Cb 0.14 -0.68 0.20 0.00 -1.62 0.00 0.00 43.42 41.46 1sbk n LEU 72 CO 0.28 -0.72 0.69 0.00 -1.22 0.00 0.00 177.39 176.42 1sbk n THR 74 N 1.16 0.00 -3.88 0.00 -2.24 -0.41 -4.51 114.28 104.40 1sbk n THR 74 Ca 0.16 -1.47 -0.09 0.00 -2.27 0.00 0.00 64.05 60.38 1sbk n THR 74 Cb 0.55 -0.09 -0.08 0.00 -2.10 0.00 0.00 70.33 68.62 1sbk n THR 74 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1sbk s GLU 75 N -3.44 0.80 5.19 -0.78 -1.05 -1.26 -4.17 118.70 113.99 1sbk s GLU 75 Ca 0.16 -0.93 0.00 0.00 -0.15 0.00 0.00 54.97 54.05 1sbk s GLU 75 Cb -0.01 0.32 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 1sbk s GLU 75 CO 0.10 -0.24 0.00 0.41 0.95 0.00 0.00 175.26 176.48 1sbk n GLY 76 N 0.08 3.36 0.26 -3.83 0.00 -1.26 -2.00 105.19 101.80 1sbk n GLY 76 Ca -0.16 0.03 0.18 0.00 0.00 0.00 0.00 46.02 46.07 1sbk n GLY 76 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sbk h GLU 77 N 0.00 0.00 -7.05 1.61 4.39 -1.96 -3.45 114.58 108.12 1sbk h GLU 77 Ca 0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 1sbk h GLU 77 Cb 0.00 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 28.78 1sbk h GLU 77 CO 0.00 0.00 0.58 -0.65 -1.16 0.00 0.00 179.01 177.78 1sbk s GLN 78 N -3.73 3.14 0.19 2.33 -0.21 -0.85 -4.76 119.66 115.77 1sbk s GLN 78 Ca -0.00 2.15 0.02 0.00 0.02 0.00 0.00 55.36 57.55 1sbk s GLN 78 Cb 0.10 -2.22 -0.05 0.00 1.00 0.00 0.00 33.01 31.84 1sbk s GLN 78 CO 0.46 -1.16 0.02 0.21 -2.12 0.00 0.00 175.29 172.70 1sbk s LYS 79 N -2.95 1.18 -0.05 2.91 2.20 0.73 -4.70 119.74 119.05 1sbk s LYS 79 Ca 0.72 -1.58 0.05 0.00 -0.36 0.00 0.00 55.97 54.80 1sbk s LYS 79 Cb -0.38 -0.29 -0.01 0.00 -1.51 0.00 0.00 37.83 35.64 1sbk s LYS 79 CO 0.45 -0.16 -0.22 0.08 -0.36 0.00 0.00 175.35 175.14 1sbk s VAL 80 N -3.66 1.83 -0.05 4.02 1.01 -1.26 -0.75 120.40 121.53 1sbk s VAL 80 Ca 0.27 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1sbk s VAL 80 Cb 0.06 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 1sbk s VAL 80 CO 0.06 0.51 -0.16 -0.69 0.00 0.00 0.00 175.10 174.82 1sbk s VAL 81 N -0.09 1.37 -0.12 2.92 1.01 -0.69 -4.95 120.40 119.86 1sbk s VAL 81 Ca -0.04 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 1sbk s VAL 81 Cb -0.13 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 1sbk s VAL 81 CO 0.03 0.40 1.22 -0.83 0.00 0.00 0.00 175.10 175.92 1sbk s GLY 82 N 0.14 1.86 -0.21 4.51 0.00 -1.26 -1.13 107.32 111.23 1sbk s GLY 82 Ca -0.06 0.52 -0.10 0.00 0.00 0.00 0.00 44.72 45.08 1sbk s GLY 82 CO 0.03 2.35 0.00 1.04 0.00 0.00 0.00 173.10 176.51 1sbk n LEU 83 N 5.93 2.38 -3.80 0.66 4.32 0.37 -4.96 117.00 121.90 1sbk n LEU 83 Ca 0.12 0.20 -0.13 0.00 -0.02 0.00 0.00 56.01 56.19 1sbk n LEU 83 Cb 0.46 -0.96 -0.14 0.00 -1.62 0.00 0.00 43.42 41.16 1sbk n LEU 83 CO 0.55 0.68 -0.24 -0.70 -1.22 0.00 0.00 177.39 176.46 1sbk s GLU 84 N -2.49 0.11 -0.01 3.23 2.56 -1.07 -5.01 118.70 116.02 1sbk s GLU 84 Ca -0.31 0.22 0.01 0.00 0.00 0.00 0.00 54.97 54.89 1sbk s GLU 84 Cb 0.09 -0.03 0.00 0.00 2.00 0.00 0.00 34.13 36.19 1sbk s GLU 84 CO 0.62 -0.07 -0.02 -1.50 -0.56 0.00 0.00 175.26 173.72 1sbk s ILE 85 N 0.45 0.21 0.01 -3.70 1.10 -1.26 -0.19 121.20 117.83 1sbk s ILE 85 Ca -0.03 -0.09 0.00 0.00 -0.51 0.00 0.00 60.65 60.03 1sbk s ILE 85 Cb -0.05 -0.21 -0.01 0.00 0.15 0.00 0.00 42.46 42.35 1sbk s ILE 85 CO -0.02 0.08 -0.02 0.54 -2.11 0.00 0.00 174.94 173.40 1sbk s ASN 86 N 0.12 0.23 -0.07 4.50 2.20 -0.83 -5.01 114.94 116.08 1sbk s ASN 86 Ca -0.01 -0.26 -0.08 0.00 -0.94 0.00 0.00 52.86 51.57 1sbk s ASN 86 Cb -0.03 0.04 0.02 0.00 -2.00 0.00 0.00 41.25 39.27 1sbk s ASN 86 CO -0.00 -0.13 0.22 0.00 -2.94 0.00 0.00 177.10 174.24 1sbk s ALA 87 N -0.72 -0.53 -0.20 3.54 0.00 -1.26 -1.11 121.76 121.48 1sbk s ALA 87 Ca -0.07 0.49 -0.03 0.00 0.00 0.00 0.00 51.96 52.34 1sbk s ALA 87 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1sbk s ALA 87 CO -0.00 -0.13 -0.06 -0.80 0.00 0.00 0.00 175.76 174.77 1sbk s ASN 88 N -0.22 4.26 -0.32 0.00 0.01 -0.25 -4.98 114.94 113.44 1sbk s ASN 88 Ca -0.03 -0.37 -0.19 0.00 -0.71 0.00 0.00 52.86 51.55 1sbk s ASN 88 Cb -0.03 -1.72 -0.01 0.00 0.41 0.00 0.00 41.25 39.91 1sbk s ASN 88 CO 0.01 0.02 0.58 -1.00 -1.51 0.00 0.00 177.10 175.19 1sbk s HIS 89 N 1.24 3.20 -0.05 2.20 3.76 -1.26 -2.01 115.29 122.37 1sbk s HIS 89 Ca 0.03 0.45 0.11 0.00 -0.15 0.00 0.00 55.06 55.49 1sbk s HIS 89 Cb -0.14 -2.95 -0.17 0.00 1.11 0.00 0.00 32.58 30.43 1sbk s HIS 89 CO -0.02 -0.48 0.17 1.33 -0.85 0.00 0.00 174.74 174.89 1sbk n VAL 90 N 5.39 0.30 -3.68 -0.90 0.24 -0.36 -5.01 118.33 114.32 1sbk n VAL 90 Ca -0.03 -0.35 -0.12 0.00 -2.04 0.00 0.00 64.34 61.80 1sbk n VAL 90 Cb 0.49 -0.14 -0.09 0.00 -1.47 0.00 0.00 33.84 32.63 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 -2.60 0.63 0.27 7.34 3.52 -0.94 -4.99 118.95 122.18 1sbk s ARG 91 Ca -0.05 0.86 -0.05 0.00 -0.13 0.00 0.00 55.73 56.37 1sbk s ARG 91 Cb 0.06 0.25 -0.05 0.00 -1.56 0.00 0.00 34.95 33.64 1sbk s ARG 91 CO 0.48 -0.10 0.53 -1.54 -0.81 0.00 0.00 175.30 173.86 1sbk s SER 92 N 0.67 6.45 0.11 -2.12 1.04 -1.26 -4.44 113.70 114.15 1sbk s SER 92 Ca -0.03 0.69 0.06 0.00 0.48 0.00 0.00 55.95 57.15 1sbk s SER 92 Cb -0.05 -2.13 -0.04 0.00 0.10 0.00 0.00 66.02 63.90 1sbk s SER 92 CO -0.04 -0.16 -0.04 0.00 0.98 0.00 0.00 173.24 173.97 1sbk s ALA 93 N -2.03 3.14 -0.01 5.32 0.00 -1.26 -4.96 121.76 121.95 1sbk s ALA 93 Ca 0.43 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 51.22 1sbk s ALA 93 Cb -0.11 -1.04 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 1sbk s ALA 93 CO 0.29 0.65 0.07 0.54 0.00 0.00 0.00 175.76 177.31 1sbk n ARG 94 N 0.54 0.48 -3.82 0.00 1.74 -1.26 -0.31 116.66 114.03 1sbk n ARG 94 Ca -0.12 -0.03 -0.08 0.00 -0.77 0.00 0.00 57.85 56.86 1sbk n ARG 94 Cb 0.52 -1.04 0.03 0.00 -1.02 0.00 0.00 32.46 30.95 1sbk n ARG 94 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1sbk s GLU 95 N -2.15 2.10 5.45 5.56 -1.05 -1.26 -4.83 118.70 122.53 1sbk s GLU 95 Ca -0.01 -1.37 0.00 0.00 -0.15 0.00 0.00 54.97 53.44 1sbk s GLU 95 Cb 0.02 0.58 0.00 0.00 -0.44 0.00 0.00 34.13 34.29 1sbk s GLU 95 CO 0.13 -0.99 0.00 0.41 0.95 0.00 0.00 175.26 175.76 1sbk n GLY 96 N -0.57 2.29 3.23 -3.83 0.00 -1.26 -4.71 105.19 100.34 1sbk n GLY 96 Ca -0.08 -0.51 -0.19 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 0.98 0.21 1.61 0.52 -1.26 -1.00 118.95 120.01 1sbk s ARG 97 Ca 0.00 -1.13 0.07 0.00 -0.52 0.00 0.00 55.73 54.15 1sbk s ARG 97 Cb 0.00 -0.98 -0.04 0.00 0.52 0.00 0.00 34.95 34.45 1sbk s ARG 97 CO 0.00 0.21 0.07 0.14 0.02 0.00 0.00 175.30 175.74 1sbk s VAL 98 N -1.66 3.98 -0.09 3.52 -7.23 -1.26 -3.23 120.40 114.43 1sbk s VAL 98 Ca 0.05 -1.45 0.02 0.00 -1.81 0.00 0.00 61.98 58.79 1sbk s VAL 98 Cb -0.08 -3.07 0.01 0.00 0.56 0.00 0.00 36.38 33.81 1sbk s VAL 98 CO 0.03 -0.22 -0.16 -0.60 -0.31 0.00 0.00 175.10 173.84 1sbk s ARG 99 N -3.33 2.24 -0.18 4.82 3.52 -0.37 -4.28 118.95 121.38 1sbk s ARG 99 Ca 0.30 -0.59 -0.10 0.00 -0.13 0.00 0.00 55.73 55.22 1sbk s ARG 99 Cb -0.08 -1.82 -0.05 0.00 -1.56 0.00 0.00 34.95 31.44 1sbk s ARG 99 CO 0.21 0.03 0.14 0.20 -0.81 0.00 0.00 175.30 175.08 1sbk s GLY 100 N 0.70 2.08 -0.25 8.12 0.00 0.75 -1.17 107.32 117.55 1sbk s GLY 100 Ca -0.13 -0.66 0.02 0.00 0.00 0.00 0.00 44.72 43.95 1sbk s GLY 100 CO 0.03 0.05 -0.11 0.14 0.00 0.00 0.00 173.10 173.21 1sbk s VAL 101 N 0.08 2.24 -0.18 1.40 1.01 0.26 -2.11 120.40 123.10 1sbk s VAL 101 Ca 0.10 -1.48 -0.07 0.00 0.00 0.00 0.00 61.98 60.53 1sbk s VAL 101 Cb -0.11 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1sbk s VAL 101 CO -0.00 0.06 0.04 0.00 0.00 0.00 0.00 175.10 175.20 1sbk s LYS 103 N 0.49 0.75 0.28 0.00 2.20 -0.56 -1.34 119.74 121.56 1sbk s LYS 103 Ca 0.02 -0.71 -0.27 0.00 -0.36 0.00 0.00 55.97 54.64 1sbk s LYS 103 Cb -0.13 -0.69 -0.09 0.00 -1.51 0.00 0.00 37.83 35.40 1sbk s LYS 103 CO 0.01 0.16 0.93 -1.25 -0.36 0.00 0.00 175.35 174.84 1sbk s PRO 104 N -1.20 4.67 -0.09 4.03 0.04 -1.26 -0.98 135.00 140.21 1sbk s PRO 104 Ca -0.02 1.36 0.13 0.00 0.04 0.00 0.00 61.00 62.51 1sbk s PRO 104 Cb -0.08 -3.00 -0.18 0.00 0.04 0.00 0.00 34.50 31.28 1sbk s PRO 104 CO 0.01 0.38 0.14 1.28 0.04 0.00 0.00 177.00 178.86 1sbk n LEU 105 N 0.95 0.00 -3.62 -3.56 4.77 0.70 -4.89 117.00 111.35 1sbk n LEU 105 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 1sbk n LEU 105 Cb 0.49 0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.72 1sbk n LEU 105 CO 0.46 0.20 0.45 -2.28 -1.33 0.00 0.00 177.39 174.90 1sbk s HIS 106 N -2.56 -0.94 -0.29 -1.77 5.04 -1.03 -4.95 115.29 108.79 1sbk s HIS 106 Ca -0.06 1.80 0.03 0.00 -1.54 0.00 0.00 55.06 55.29 1sbk s HIS 106 Cb 0.06 0.56 0.08 0.00 0.04 0.00 0.00 32.58 33.32 1sbk s HIS 106 CO 0.55 -0.47 -0.03 -0.51 -2.34 0.00 0.00 174.74 171.94 1sbk s LEU 107 N 1.88 3.71 0.56 8.88 1.43 -1.26 -0.41 118.68 133.47 1sbk s LEU 107 Ca -0.08 -1.64 0.06 0.00 -1.03 0.00 0.00 54.13 51.43 1sbk s LEU 107 Cb -0.06 -1.48 0.05 0.00 0.03 0.00 0.00 46.19 44.73 1sbk s LEU 107 CO -0.18 -0.28 0.46 -0.83 0.23 0.00 0.00 176.35 175.75 1sbk s GLY 108 N 1.10 2.32 0.17 -3.19 0.00 0.17 -5.01 107.32 102.88 1sbk s GLY 108 Ca -0.00 -1.29 0.26 0.00 0.00 0.00 0.00 44.72 43.69 1sbk s GLY 108 CO -0.07 -1.93 1.74 -1.14 0.00 0.00 0.00 173.10 171.69 1sbk n SER 109 N -1.85 0.69 0.00 1.64 3.41 -1.26 -4.07 113.62 112.19 1sbk n SER 109 Ca -0.00 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1sbk n SER 109 Cb 0.64 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1sbk n SER 109 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1sbk n ARG 110 N -2.13 1.93 -3.92 4.33 1.74 -1.26 -4.78 116.66 112.56 1sbk n ARG 110 Ca 0.05 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.04 1sbk n ARG 110 Cb 0.42 -0.84 -0.09 0.00 -1.02 0.00 0.00 32.46 30.93 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 -1.38 0.20 0.05 -1.55 3.76 -1.26 0.08 115.29 115.19 1sbk s HIS 111 Ca 0.00 -0.55 -0.03 0.00 -0.15 0.00 0.00 55.06 54.33 1sbk s HIS 111 Cb 0.00 -0.14 -0.03 0.00 1.11 0.00 0.00 32.58 33.53 1sbk s HIS 111 CO 0.00 -0.41 0.02 -0.65 -0.85 0.00 0.00 174.74 172.85 1sbk s GLN 112 N -3.01 0.58 -0.06 1.40 -0.21 -0.89 0.41 119.66 117.88 1sbk s GLN 112 Ca -0.02 -0.99 -0.00 0.00 0.02 0.00 0.00 55.36 54.37 1sbk s GLN 112 Cb 0.01 0.21 0.02 0.00 1.00 0.00 0.00 33.01 34.26 1sbk s GLN 112 CO -0.06 -0.12 -0.03 0.08 -2.12 0.00 0.00 175.29 173.04 1sbk s VAL 113 N -3.21 0.50 0.10 1.09 1.01 0.46 -1.13 120.40 119.20 1sbk s VAL 113 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.06 1sbk s VAL 113 Cb 0.03 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1sbk s VAL 113 CO -0.07 0.25 -0.27 0.26 0.00 0.00 0.00 175.10 175.27 1sbk s TRP 114 N 1.43 2.30 -0.17 5.22 0.52 0.04 -0.22 118.94 128.07 1sbk s TRP 114 Ca -0.03 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.71 1sbk s TRP 114 Cb -0.13 -1.29 0.01 0.00 -1.15 0.00 0.00 33.47 30.91 1sbk s TRP 114 CO -0.03 0.26 -0.18 -1.14 0.02 0.00 0.00 176.95 175.89 1sbk s GLN 115 N -1.77 3.10 -0.16 4.98 0.74 -0.15 -0.38 119.66 126.01 1sbk s GLN 115 Ca 0.13 -0.79 0.00 0.00 0.05 0.00 0.00 55.36 54.75 1sbk s GLN 115 Cb -0.10 -2.59 0.00 0.00 1.10 0.00 0.00 33.01 31.42 1sbk s GLN 115 CO 0.05 -0.10 -0.15 0.42 -0.55 0.00 0.00 175.29 174.95 1sbk s ILE 116 N 1.06 2.60 -0.14 -2.34 1.09 0.37 -1.50 121.20 122.34 1sbk s ILE 116 Ca -0.01 -0.78 -0.05 0.00 -1.10 0.00 0.00 60.65 58.71 1sbk s ILE 116 Cb -0.14 -2.10 -0.03 0.00 -1.06 0.00 0.00 42.46 39.12 1sbk s ILE 116 CO -0.06 0.51 0.02 -1.61 -0.10 0.00 0.00 174.94 173.71 1sbk s GLU 117 N 0.94 3.56 -0.15 2.79 0.41 -0.17 -0.32 118.70 125.75 1sbk s GLU 117 Ca -0.03 -0.40 0.02 0.00 -0.41 0.00 0.00 54.97 54.15 1sbk s GLU 117 Cb -0.15 -3.00 0.01 0.00 -1.78 0.00 0.00 34.13 29.21 1sbk s GLU 117 CO -0.02 0.43 -0.21 0.42 -0.49 0.00 0.00 175.26 175.39 1sbk s ILE 118 N -0.10 2.11 0.27 -1.63 1.01 0.73 0.90 121.20 124.49 1sbk s ILE 118 Ca 0.05 -0.95 0.11 0.00 0.00 0.00 0.00 60.65 59.86 1sbk s ILE 118 Cb -0.12 -1.86 -0.05 0.00 0.01 0.00 0.00 42.46 40.44 1sbk s ILE 118 CO 0.02 0.54 -0.12 -0.36 0.00 0.00 0.00 174.94 175.02 1sbk s PHE 119 N 0.94 2.45 0.86 3.97 0.40 -0.32 0.05 117.98 126.34 1sbk s PHE 119 Ca -0.04 -0.29 -0.09 0.00 -0.60 0.00 0.00 56.93 55.92 1sbk s PHE 119 Cb -0.15 -1.07 0.18 0.00 0.51 0.00 0.00 43.02 42.48 1sbk s PHE 119 CO -0.05 0.68 1.18 0.16 0.70 0.00 0.00 175.22 177.89 1sbk s ASP 120 N -3.56 3.60 0.26 1.36 1.47 -0.15 -1.23 116.67 118.42 1sbk s ASP 120 Ca 0.30 -0.09 0.18 0.00 1.18 0.00 0.00 52.55 54.11 1sbk s ASP 120 Cb -0.06 -0.06 0.95 0.00 -0.34 0.00 0.00 42.92 43.41 1sbk s ASP 120 CO 0.17 -2.39 1.54 -1.84 0.68 0.00 0.00 175.17 173.33 1sbk n GLU 121 N -3.35 0.11 -0.12 2.11 0.28 -1.20 -0.32 120.64 118.14 1sbk n GLU 121 Ca 0.16 0.61 0.11 0.00 -0.16 0.00 0.00 57.16 57.88 1sbk n GLU 121 Cb 0.60 -1.87 0.27 0.00 1.43 0.00 0.00 31.44 31.87 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 -2.11 2.18 -0.93 3.44 5.02 -1.26 -4.94 118.16 119.55 1sbk n LYS 122 Ca -0.01 -1.77 0.00 0.00 -2.02 0.00 0.00 58.31 54.51 1sbk n LYS 122 Cb 0.03 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 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 1.34 0.80 3.75 0.72 0.00 0.56 -5.02 105.19 107.34 1sbk n GLY 123 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.07 4.81 -0.04 1.61 0.52 -1.26 -4.74 118.95 119.79 1sbk s ARG 124 Ca 0.00 1.45 -0.30 0.00 -0.52 0.00 0.00 55.73 56.36 1sbk s ARG 124 Cb 0.00 -3.29 -0.06 0.00 0.52 0.00 0.00 34.95 32.12 1sbk s ARG 124 CO 0.00 0.48 1.60 -1.17 0.02 0.00 0.00 175.30 176.23 1sbk s LEU 125 N -0.99 4.32 -0.17 2.53 2.96 -1.26 -0.98 118.68 125.08 1sbk s LEU 125 Ca 0.41 2.22 0.03 0.00 -0.22 0.00 0.00 54.13 56.58 1sbk s LEU 125 Cb -0.25 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.77 1sbk s LEU 125 CO 0.31 -0.88 -0.13 0.00 -1.32 0.00 0.00 176.35 174.33 1sbk s SER 128 N 0.57 2.77 0.18 0.00 0.15 -0.85 -0.19 113.70 116.32 1sbk s SER 128 Ca -0.04 -0.51 0.04 0.00 0.70 0.00 0.00 55.95 56.14 1sbk s SER 128 Cb -0.05 -1.26 -0.05 0.00 -1.71 0.00 0.00 66.02 62.95 1sbk s SER 128 CO -0.03 0.04 -0.07 -0.55 1.20 0.00 0.00 173.24 173.83 1sbk s SER 129 N 0.96 1.87 -0.05 5.45 0.15 0.56 -1.09 113.70 121.54 1sbk s SER 129 Ca -0.06 -1.09 0.01 0.00 0.70 0.00 0.00 55.95 55.51 1sbk s SER 129 Cb -0.15 -0.01 0.02 0.00 -1.71 0.00 0.00 66.02 64.17 1sbk s SER 129 CO -0.03 -0.38 -0.03 -0.60 1.20 0.00 0.00 173.24 173.40 1sbk s ARG 130 N -3.78 0.77 -0.13 5.44 3.52 -0.27 -0.48 118.95 124.02 1sbk s ARG 130 Ca 0.21 -0.06 0.02 0.00 -0.13 0.00 0.00 55.73 55.77 1sbk s ARG 130 Cb 0.03 -0.86 0.00 0.00 -1.56 0.00 0.00 34.95 32.57 1sbk s ARG 130 CO 0.04 -0.13 -0.20 -1.17 -0.81 0.00 0.00 175.30 173.03 1sbk s LEU 131 N 1.12 2.26 -0.18 -0.88 2.96 0.49 -1.96 118.68 122.48 1sbk s LEU 131 Ca -0.08 -0.53 -0.06 0.00 -0.22 0.00 0.00 54.13 53.24 1sbk s LEU 131 Cb -0.14 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 1sbk s LEU 131 CO -0.01 0.11 0.03 -0.89 -1.32 0.00 0.00 176.35 174.27 1sbk s THR 132 N 0.66 4.46 0.30 3.68 2.01 0.74 -0.78 115.64 126.71 1sbk s THR 132 Ca -0.10 -0.15 0.08 0.00 0.31 0.00 0.00 61.69 61.83 1sbk s THR 132 Cb -0.16 -3.01 -0.06 0.00 0.01 0.00 0.00 72.50 69.28 1sbk s THR 132 CO 0.02 0.45 -0.07 0.42 -0.69 0.00 0.00 174.62 174.75 1sbk s THR 133 N 0.54 1.85 -0.05 -0.82 -4.23 -0.29 -0.48 115.64 112.16 1sbk s THR 133 Ca 0.01 -2.16 0.06 0.00 -1.18 0.00 0.00 61.69 58.43 1sbk s THR 133 Cb -0.13 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.19 1sbk s THR 133 CO 0.02 -0.27 -0.25 0.00 -0.54 0.00 0.00 174.62 173.58 1sbk s ALA 134 N -2.87 2.13 -0.24 3.99 0.00 -0.29 -2.10 121.76 122.38 1sbk s ALA 134 Ca 0.30 -1.05 -0.17 0.00 0.00 0.00 0.00 51.96 51.05 1sbk s ALA 134 Cb 0.03 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 1sbk s ALA 134 CO 0.13 0.43 0.48 0.42 0.00 0.00 0.00 175.76 177.23 1sbk s ILE 135 N -0.25 5.11 0.22 0.00 -1.09 0.11 -1.70 121.20 123.60 1sbk s ILE 135 Ca -0.01 0.83 0.10 0.00 -2.23 0.00 0.00 60.65 59.34 1sbk s ILE 135 Cb -0.13 -3.80 -0.05 0.00 -1.58 0.00 0.00 42.46 36.90 1sbk s ILE 135 CO 0.03 0.13 -0.18 -0.76 -1.23 0.00 0.00 174.94 172.93 1sbk s LEU 136 N 2.01 2.53 0.00 2.97 1.43 0.07 -4.81 118.68 122.89 1sbk s LEU 136 Ca 0.21 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 1sbk s LEU 136 Cb -0.15 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 45.18 1sbk s LEU 136 CO 0.09 -0.05 0.00 -0.11 0.23 0.00 0.00 176.35 176.51 1sbk n LEU 137 N -0.26 0.00 0.00 1.79 7.94 -1.26 -0.19 117.00 125.01 1sbk n LEU 137 Ca -0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 1sbk n LEU 137 Cb 0.59 -0.43 0.00 0.00 0.53 0.00 0.00 43.42 44.12 1sbk n LEU 137 CO 0.34 -0.45 0.00 1.21 -1.11 0.00 0.00 177.39 177.38