#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 3.14 -0.03 4.28 0.23 -1.26 -4.63 118.94 120.66 1sbk s TRP 3 Ca 0.00 1.59 0.04 0.00 -2.03 0.00 0.00 56.10 55.70 1sbk s TRP 3 Cb 0.00 -3.29 -0.05 0.00 0.03 0.00 0.00 33.47 30.15 1sbk s TRP 3 CO 0.00 -1.06 0.04 1.63 0.96 0.00 0.00 176.95 178.52 1sbk n LYS 4 N -0.00 2.34 -3.92 4.98 5.02 0.68 -4.97 118.16 122.29 1sbk n LYS 4 Ca 0.05 -0.01 -0.35 0.00 -2.02 0.00 0.00 58.31 55.98 1sbk n LYS 4 Cb 0.48 -1.10 -0.09 0.00 -0.02 0.00 0.00 35.03 34.30 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 -2.16 4.01 -0.79 1.97 0.52 -0.85 -4.96 118.95 116.69 1sbk s ARG 5 Ca -0.02 -0.29 -0.19 0.00 -0.52 0.00 0.00 55.73 54.71 1sbk s ARG 5 Cb 0.02 -3.27 0.12 0.00 0.52 0.00 0.00 34.95 32.34 1sbk s ARG 5 CO 0.16 0.31 0.97 0.15 0.02 0.00 0.00 175.30 176.91 1sbk s LYS 6 N 0.28 3.38 -0.03 3.54 1.02 -1.26 -4.98 119.74 121.69 1sbk s LYS 6 Ca 0.05 -1.55 0.01 0.00 0.02 0.00 0.00 55.97 54.50 1sbk s LYS 6 Cb -0.12 -4.59 0.02 0.00 -0.52 0.00 0.00 37.83 32.62 1sbk s LYS 6 CO -0.00 -1.68 -0.03 -1.50 -0.92 0.00 0.00 175.35 171.21 1sbk s ILE 7 N 2.71 0.42 0.70 2.17 2.07 -1.26 -5.15 121.20 122.86 1sbk s ILE 7 Ca 0.25 -0.08 -0.11 0.00 -1.41 0.00 0.00 60.65 59.29 1sbk s ILE 7 Cb -0.12 -0.45 0.01 0.00 0.13 0.00 0.00 42.46 42.02 1sbk s ILE 7 CO -0.02 0.19 1.06 0.42 -1.91 0.00 0.00 174.94 174.68 1sbk s THR 8 N 0.78 4.00 0.35 4.00 -4.23 -1.26 -4.89 115.64 114.40 1sbk s THR 8 Ca -0.10 0.65 0.04 0.00 -1.18 0.00 0.00 61.69 61.11 1sbk s THR 8 Cb -0.13 -3.44 0.21 0.00 1.34 0.00 0.00 72.50 70.48 1sbk s THR 8 CO -0.00 -0.85 1.95 -0.07 -0.54 0.00 0.00 174.62 175.10 1sbk h LEU 9 N -0.70 0.56 -0.10 4.79 3.38 -1.99 -0.76 115.31 120.49 1sbk h LEU 9 Ca -0.44 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.50 1sbk h LEU 9 Cb 1.22 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 1sbk h LEU 9 CO 0.58 0.51 -0.11 -0.08 0.09 0.00 0.00 178.44 179.43 1sbk h GLU 10 N 0.62 -0.14 -0.75 1.13 4.81 -1.92 0.13 114.58 118.45 1sbk h GLU 10 Ca 0.15 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1sbk h GLU 10 Cb 0.14 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 1sbk h GLU 10 CO -0.01 -0.09 0.41 0.00 -0.73 0.00 0.00 179.01 178.58 1sbk h ALA 11 N 0.92 0.96 0.08 2.92 0.00 -1.75 -0.48 119.26 121.92 1sbk h ALA 11 Ca 0.08 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1sbk h ALA 11 Cb 0.25 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1sbk h ALA 11 CO -0.19 0.48 -0.16 -0.07 0.00 0.00 0.00 179.25 179.31 1sbk h LEU 12 N 1.04 -0.46 -0.98 0.00 3.38 -0.36 -2.38 115.31 115.56 1sbk h LEU 12 Ca 0.26 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.25 1sbk h LEU 12 Cb 0.04 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1sbk h LEU 12 CO -0.04 -0.24 0.29 0.78 0.09 0.00 0.00 178.44 179.32 1sbk h ASN 13 N -0.32 0.94 0.00 -0.43 2.35 -0.59 -3.15 115.58 114.39 1sbk h ASN 13 Ca 0.03 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1sbk h ASN 13 Cb 0.34 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1sbk h ASN 13 CO -0.10 0.83 0.00 0.00 -1.65 0.00 0.00 177.43 176.51 1sbk n ALA 14 N -2.44 1.34 0.00 -0.83 0.00 -0.20 -3.41 120.51 114.97 1sbk n ALA 14 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1sbk n ALA 14 Cb 0.17 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 1.24 0.00 3.73 0.00 0.00 -1.19 -4.88 105.19 104.09 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 4.27 0.00 1.61 0.41 -1.22 -1.04 118.70 122.72 1sbk s GLU 17 Ca 0.00 2.26 0.00 0.00 -0.41 0.00 0.00 54.97 56.82 1sbk s GLU 17 Cb 0.00 -3.15 0.00 0.00 -1.78 0.00 0.00 34.13 29.20 1sbk s GLU 17 CO 0.00 -0.47 0.00 0.41 -0.49 0.00 0.00 175.26 174.71 1sbk n GLY 18 N 2.93 0.66 0.00 -1.39 0.00 -1.26 -4.95 105.19 101.18 1sbk n GLY 18 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.93 -5.03 115.26 111.13 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 0.02 3.53 0.31 -1.26 -1.73 118.33 119.21 1sbk n VAL 21 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 1sbk n VAL 21 Cb 0.00 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.03 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 0.52 1.49 2.92 0.00 -1.37 -1.01 103.07 105.62 1sbk h GLY 22 Ca 0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 1sbk h GLY 22 CO 0.00 0.52 0.29 -2.75 0.00 0.00 0.00 176.54 174.60 1sbk h PHE 23 N 0.37 0.66 -0.51 5.60 3.57 -1.57 -1.90 116.94 123.16 1sbk h PHE 23 Ca 0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1sbk h PHE 23 Cb 1.02 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.54 1sbk h PHE 23 CO 0.04 0.45 0.00 1.28 -2.23 0.00 0.00 178.31 177.84 1sbk n LEU 24 N -4.42 3.30 -3.84 0.59 4.77 -1.19 -4.95 117.00 111.25 1sbk n LEU 24 Ca 0.04 -1.55 -0.29 0.00 -0.03 0.00 0.00 56.01 54.19 1sbk n LEU 24 Cb 0.08 -0.34 0.04 0.00 -2.33 0.00 0.00 43.42 40.87 1sbk n LEU 24 CO 0.36 0.77 0.14 -0.67 -1.33 0.00 0.00 177.39 176.66 1sbk n ASP 25 N 1.33 -5.19 -4.69 -1.43 2.03 -0.71 -4.38 116.55 103.51 1sbk n ASP 25 Ca 0.20 -0.72 -0.42 0.00 0.52 0.00 0.00 54.79 54.37 1sbk n ASP 25 Cb 0.55 -4.13 -0.03 0.00 -0.72 0.00 0.00 41.12 36.80 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 -3.30 4.66 -0.06 5.18 1.01 -0.41 -4.41 121.20 123.88 1sbk s ILE 26 Ca 0.65 1.94 0.03 0.00 0.00 0.00 0.00 60.65 63.27 1sbk s ILE 26 Cb -0.32 -4.25 0.01 0.00 0.01 0.00 0.00 42.46 37.91 1sbk s ILE 26 CO 0.80 0.00 -0.15 -0.13 0.00 0.00 0.00 174.94 175.47 1sbk s ARG 27 N 2.05 1.87 -0.04 2.79 0.52 -0.19 -4.69 118.95 121.26 1sbk s ARG 27 Ca 0.50 -0.51 -0.29 0.00 -0.52 0.00 0.00 55.73 54.90 1sbk s ARG 27 Cb -0.20 -1.53 -0.02 0.00 0.52 0.00 0.00 34.95 33.71 1sbk s ARG 27 CO 0.19 0.10 0.97 -0.06 0.02 0.00 0.00 175.30 176.52 1sbk s PHE 28 N 0.46 3.61 0.00 -0.53 0.40 -1.26 -0.08 117.98 120.58 1sbk s PHE 28 Ca -0.12 1.64 0.00 0.00 -0.60 0.00 0.00 56.93 57.85 1sbk s PHE 28 Cb -0.15 -3.13 0.00 0.00 0.51 0.00 0.00 43.02 40.26 1sbk s PHE 28 CO 0.04 -0.07 0.00 0.39 0.70 0.00 0.00 175.22 176.28 1sbk n GLU 29 N 4.25 4.64 -3.58 0.44 1.02 -0.16 -4.92 120.64 122.34 1sbk n GLU 29 Ca 0.06 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.04 1sbk n GLU 29 Cb 0.50 -0.66 -0.07 0.00 -0.02 0.00 0.00 31.44 31.20 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 -1.31 -0.69 -0.05 -0.32 5.04 -1.10 -5.01 115.29 111.85 1sbk s HIS 30 Ca 0.00 1.42 -0.02 0.00 -1.54 0.00 0.00 55.06 54.92 1sbk s HIS 30 Cb 0.00 0.34 0.04 0.00 0.04 0.00 0.00 32.58 32.99 1sbk s HIS 30 CO 0.00 -0.50 0.09 -1.50 -2.34 0.00 0.00 174.74 170.49 1sbk s ILE 31 N -0.53 -0.10 0.00 0.89 2.07 -1.26 -0.50 121.20 121.76 1sbk s ILE 31 Ca -0.06 0.27 0.00 0.00 -1.41 0.00 0.00 60.65 59.45 1sbk s ILE 31 Cb -0.02 -0.18 0.00 0.00 0.13 0.00 0.00 42.46 42.39 1sbk s ILE 31 CO 0.06 0.11 0.00 0.61 -1.91 0.00 0.00 174.94 173.81 1sbk n GLY 32 N 4.62 4.14 0.36 1.50 0.00 0.76 -4.97 105.19 111.60 1sbk n GLY 32 Ca -0.18 -2.14 0.04 0.00 0.00 0.00 0.00 46.02 43.74 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 0.82 0.00 1.61 3.45 -2.03 -3.31 116.42 116.96 1sbk h ASP 33 Ca 0.00 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.39 1sbk h ASP 33 Cb 0.00 -0.18 -0.16 0.00 -0.56 0.00 0.00 39.33 38.44 1sbk h ASP 33 CO 0.00 0.54 -0.71 -0.90 -1.57 0.00 0.00 179.24 176.60 1sbk n ASP 34 N -4.47 0.39 -3.98 6.45 5.75 -1.26 -1.79 116.55 117.64 1sbk n ASP 34 Ca 0.12 -1.99 -0.09 0.00 -0.01 0.00 0.00 54.79 52.82 1sbk n ASP 34 Cb 0.18 -0.23 -0.11 0.00 -1.03 0.00 0.00 41.12 39.93 1sbk n ASP 34 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1sbk s THR 35 N 0.00 0.11 -0.04 2.12 -4.23 -1.25 -4.23 115.64 108.13 1sbk s THR 35 Ca 0.14 -0.93 0.02 0.00 -1.18 0.00 0.00 61.69 59.74 1sbk s THR 35 Cb 0.16 -0.30 0.01 0.00 1.34 0.00 0.00 72.50 73.71 1sbk s THR 35 CO -0.07 -0.51 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.22 1sbk s LEU 36 N -1.50 1.56 -0.01 4.79 2.96 -0.75 -0.17 118.68 125.57 1sbk s LEU 36 Ca -0.15 -0.15 0.06 0.00 -0.22 0.00 0.00 54.13 53.66 1sbk s LEU 36 Cb -0.09 -0.48 -0.02 0.00 0.50 0.00 0.00 46.19 46.10 1sbk s LEU 36 CO -0.01 0.00 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.22 1sbk s GLU 37 N 0.56 1.49 0.04 1.98 2.02 0.34 -0.35 118.70 124.79 1sbk s GLU 37 Ca -0.08 -0.68 -0.03 0.00 0.02 0.00 0.00 54.97 54.20 1sbk s GLU 37 Cb -0.12 -1.46 -0.02 0.00 0.10 0.00 0.00 34.13 32.64 1sbk s GLU 37 CO 0.01 0.40 0.03 0.00 0.02 0.00 0.00 175.26 175.71 1sbk s ALA 38 N -0.47 0.18 0.00 5.21 0.00 -0.76 -0.99 121.76 124.93 1sbk s ALA 38 Ca 0.07 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1sbk s ALA 38 Cb -0.07 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1sbk s ALA 38 CO -0.01 -0.31 0.00 0.25 0.00 0.00 0.00 175.76 175.69 1sbk n THR 39 N 0.67 0.00 -4.39 0.00 -2.24 0.88 -0.63 114.28 108.56 1sbk n THR 39 Ca -0.18 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.34 1sbk n THR 39 Cb 0.59 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.71 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 -1.05 1.74 -0.91 -0.78 0.04 -1.26 -1.03 135.00 131.76 1sbk s PRO 41 Ca 0.00 -1.51 -0.04 0.00 0.04 0.00 0.00 61.00 59.49 1sbk s PRO 41 Cb 0.00 -1.93 0.23 0.00 0.04 0.00 0.00 34.50 32.84 1sbk s PRO 41 CO 0.00 0.39 0.82 0.08 0.04 0.00 0.00 177.00 178.33 1sbk s VAL 42 N -1.92 4.70 0.00 -0.36 1.01 0.03 -4.77 120.40 119.09 1sbk s VAL 42 Ca 0.25 -3.64 0.00 0.00 0.00 0.00 0.00 61.98 58.59 1sbk s VAL 42 Cb -0.07 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1sbk s VAL 42 CO 0.13 -1.09 0.00 -0.90 0.00 0.00 0.00 175.10 173.24 1sbk n ASP 43 N 2.58 1.17 -0.21 3.32 5.68 -1.26 -4.53 116.55 123.29 1sbk n ASP 43 Ca 0.20 -0.62 0.25 0.00 -0.50 0.00 0.00 54.79 54.13 1sbk n ASP 43 Cb 0.38 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 41.01 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 0.15 0.34 -1.12 4.64 -1.95 0.23 113.55 115.84 1sbk h SER 44 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 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 0.05 -0.20 0.54 -0.87 0.00 0.00 176.83 176.35 1sbk n ARG 45 N -4.37 0.68 0.00 4.77 1.74 -1.26 -4.07 116.66 114.15 1sbk n ARG 45 Ca 0.19 -0.32 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 1sbk n ARG 45 Cb 0.88 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.83 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 -0.88 0.00 -3.01 0.55 -2.24 0.09 -5.00 114.28 103.79 1sbk n THR 46 Ca 0.12 -0.35 -0.28 0.00 -2.27 0.00 0.00 64.05 61.27 1sbk n THR 46 Cb 0.32 1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 69.64 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 -0.43 3.64 0.76 -0.78 1.02 0.57 0.28 119.74 124.80 1sbk s LYS 47 Ca 0.00 0.17 -0.05 0.00 0.02 0.00 0.00 55.97 56.12 1sbk s LYS 47 Cb 0.00 -2.50 0.13 0.00 -0.52 0.00 0.00 37.83 34.94 1sbk s LYS 47 CO 0.00 0.02 1.05 1.14 -0.92 0.00 0.00 175.35 176.64 1sbk s GLN 48 N -4.03 1.57 0.55 1.68 -2.07 0.12 -4.63 119.66 112.85 1sbk s GLN 48 Ca 0.47 -0.85 0.25 0.00 -1.82 0.00 0.00 55.36 53.41 1sbk s GLN 48 Cb -0.10 -2.22 1.45 0.00 -1.09 0.00 0.00 33.01 31.04 1sbk s GLN 48 CO 0.35 -1.58 2.04 -1.35 -1.32 0.00 0.00 175.29 173.43 1sbk h PRO 49 N -0.73 0.00 -0.73 9.60 0.11 -1.99 -2.55 132.00 135.70 1sbk h PRO 49 Ca -0.39 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.61 1sbk h PRO 49 Cb 1.27 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.32 1sbk h PRO 49 CO 0.43 0.00 0.13 1.19 -0.21 0.00 0.00 178.00 179.54 1sbk n PHE 50 N -4.22 1.97 -0.55 0.65 3.72 -1.26 -4.92 117.46 112.85 1sbk n PHE 50 Ca 0.05 -0.86 0.00 0.00 -0.05 0.00 0.00 57.45 56.59 1sbk n PHE 50 Cb 0.45 -0.55 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 1sbk n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sbk n GLY 51 N 0.19 1.43 3.89 1.37 0.00 -0.96 -5.04 105.19 106.07 1sbk n GLY 51 Ca 0.30 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 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 4.06 0.23 0.99 1.43 -1.26 -4.69 118.68 119.43 1sbk s LEU 52 Ca 0.00 0.88 -0.32 0.00 -1.03 0.00 0.00 54.13 53.67 1sbk s LEU 52 Cb 0.00 -3.69 -0.12 0.00 0.03 0.00 0.00 46.19 42.41 1sbk s LEU 52 CO 0.00 -0.19 1.70 -0.22 0.23 0.00 0.00 176.35 177.87 1sbk s LEU 53 N -3.32 4.36 -0.01 1.79 0.20 0.26 0.14 118.68 122.10 1sbk s LEU 53 Ca 0.47 2.89 -0.30 0.00 0.69 0.00 0.00 54.13 57.88 1sbk s LEU 53 Cb -0.11 -3.61 -0.05 0.00 -0.43 0.00 0.00 46.19 42.00 1sbk s LEU 53 CO 0.27 -0.97 1.32 -2.28 -0.29 0.00 0.00 176.35 174.41 1sbk s HIS 54 N 0.93 3.00 0.50 5.38 5.65 0.14 -4.68 115.29 126.22 1sbk s HIS 54 Ca 0.72 0.98 0.25 0.00 0.25 0.00 0.00 55.06 57.26 1sbk s HIS 54 Cb -0.49 -3.57 1.33 0.00 -1.18 0.00 0.00 32.58 28.66 1sbk s HIS 54 CO 0.35 -2.02 1.93 0.78 -0.65 0.00 0.00 174.74 175.14 1sbk h GLY 55 N 8.19 0.22 1.74 1.59 0.00 -1.91 0.28 103.07 113.18 1sbk h GLY 55 Ca -0.37 -0.05 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 1sbk h GLY 55 CO 0.89 0.01 -0.14 -1.33 0.00 0.00 0.00 176.54 175.97 1sbk h GLY 56 N 0.11 0.34 1.35 4.60 0.00 -1.93 -2.55 103.07 104.99 1sbk h GLY 56 Ca 0.35 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.37 1sbk h GLY 56 CO -0.04 0.21 -0.06 0.00 0.00 0.00 0.00 176.54 176.64 1sbk h ALA 57 N 1.56 1.04 -0.48 3.60 0.00 -0.72 -1.92 119.26 122.34 1sbk h ALA 57 Ca 0.06 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1sbk h ALA 57 Cb 0.43 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1sbk h ALA 57 CO 0.03 0.59 -0.02 0.77 0.00 0.00 0.00 179.25 180.62 1sbk h SER 58 N 0.72 0.78 0.34 0.00 0.02 -1.33 -1.83 113.55 112.25 1sbk h SER 58 Ca 0.13 -0.20 -0.16 0.00 -0.84 0.00 0.00 61.79 60.73 1sbk h SER 58 Cb 0.53 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1sbk h SER 58 CO 0.03 0.85 -0.65 0.58 -1.14 0.00 0.00 176.83 176.50 1sbk h VAL 59 N 0.75 1.39 -0.44 2.27 2.07 -1.27 -1.33 116.25 119.69 1sbk h VAL 59 Ca 0.14 -2.06 -0.01 0.00 0.82 0.00 0.00 66.70 65.59 1sbk h VAL 59 Cb 0.48 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 1sbk h VAL 59 CO 0.02 0.61 0.22 0.58 0.02 0.00 0.00 177.57 179.03 1sbk h VAL 60 N 0.20 1.17 -0.63 2.57 2.07 -1.03 0.39 116.25 120.99 1sbk h VAL 60 Ca -0.01 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1sbk h VAL 60 Cb 1.18 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1sbk h VAL 60 CO 0.10 0.19 0.32 0.25 0.02 0.00 0.00 177.57 178.46 1sbk h LEU 61 N 0.58 0.81 -0.28 2.57 5.85 -1.19 0.24 115.31 123.89 1sbk h LEU 61 Ca 0.15 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1sbk h LEU 61 Cb 0.10 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1sbk h LEU 61 CO -0.02 0.69 0.01 0.00 -0.34 0.00 0.00 178.44 178.78 1sbk h ALA 62 N 1.15 0.38 -0.10 1.25 0.00 -0.81 -1.58 119.26 119.55 1sbk h ALA 62 Ca 0.22 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1sbk h ALA 62 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1sbk h ALA 62 CO -0.03 0.11 -0.56 1.49 0.00 0.00 0.00 179.25 180.27 1sbk h GLU 63 N 0.29 0.31 -0.35 0.00 4.81 -0.09 -1.44 114.58 118.10 1sbk h GLU 63 Ca 0.08 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1sbk h GLU 63 Cb 0.42 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1sbk h GLU 63 CO 0.01 0.78 0.13 0.77 -0.73 0.00 0.00 179.01 179.97 1sbk h SER 64 N 0.23 0.49 -0.02 1.04 0.02 -0.38 -1.46 113.55 113.48 1sbk h SER 64 Ca 0.00 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1sbk h SER 64 Cb 1.05 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 1sbk h SER 64 CO 0.09 0.54 -0.01 0.40 -1.14 0.00 0.00 176.83 176.71 1sbk h ILE 65 N 0.41 1.36 -0.95 3.27 2.04 -1.24 -2.76 117.51 119.63 1sbk h ILE 65 Ca 0.11 -1.07 0.07 0.00 1.00 0.00 0.00 64.86 64.97 1sbk h ILE 65 Cb 0.21 2.05 -0.07 0.00 -0.74 0.00 0.00 36.82 38.27 1sbk h ILE 65 CO -0.01 0.28 0.61 1.23 0.00 0.00 0.00 178.15 180.26 1sbk h GLY 66 N -0.40 1.46 1.35 5.37 0.00 -1.25 -1.21 103.07 108.40 1sbk h GLY 66 Ca 0.00 -0.44 -0.19 0.00 0.00 0.00 0.00 47.33 46.71 1sbk h GLY 66 CO 0.00 0.28 -0.65 1.48 0.00 0.00 0.00 176.54 177.66 1sbk h SER 67 N 1.08 0.75 0.09 0.19 4.64 -1.29 -1.54 113.55 117.46 1sbk h SER 67 Ca 0.42 -0.45 -0.16 0.00 -0.47 0.00 0.00 61.79 61.14 1sbk h SER 67 Cb 0.22 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1sbk h SER 67 CO -0.19 1.21 -0.57 -0.37 -0.87 0.00 0.00 176.83 176.04 1sbk h VAL 68 N 0.48 1.33 -0.24 0.95 -1.51 -1.25 -0.31 116.25 115.70 1sbk h VAL 68 Ca -0.02 -1.84 -0.01 0.00 -1.23 0.00 0.00 66.70 63.60 1sbk h VAL 68 Cb 1.24 1.82 -0.01 0.00 -2.13 0.00 0.00 31.29 32.21 1sbk h VAL 68 CO 0.13 0.57 0.10 0.00 -1.23 0.00 0.00 177.57 177.13 1sbk h ALA 69 N 1.00 0.31 -0.84 5.19 0.00 -1.20 0.25 119.26 123.98 1sbk h ALA 69 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1sbk h ALA 69 Cb 1.11 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1sbk h ALA 69 CO 0.10 -0.10 0.55 0.78 0.00 0.00 0.00 179.25 180.59 1sbk h GLY 70 N 0.24 1.18 0.97 0.00 0.00 -1.15 -1.97 103.07 102.34 1sbk h GLY 70 Ca 0.08 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1sbk h GLY 70 CO -0.01 0.44 0.20 -1.82 0.00 0.00 0.00 176.54 175.36 1sbk h TYR 71 N 1.14 0.48 0.00 5.60 3.20 -0.66 -0.29 116.97 126.45 1sbk h TYR 71 Ca 0.31 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1sbk h TYR 71 Cb -0.12 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 37.99 1sbk h TYR 71 CO -0.01 0.37 0.00 -0.07 -1.64 0.00 0.00 178.16 176.80 1sbk h LEU 72 N 0.46 0.00 -2.90 2.82 4.07 0.17 -0.29 115.31 119.63 1sbk h LEU 72 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1sbk h LEU 72 Cb 0.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1sbk h LEU 72 CO -0.02 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.34 1sbk n THR 74 N 1.11 0.00 -4.12 0.00 -2.24 -0.12 -4.71 114.28 104.21 1sbk n THR 74 Ca 0.24 -1.67 -0.15 0.00 -2.27 0.00 0.00 64.05 60.20 1sbk n THR 74 Cb 0.82 0.23 -0.12 0.00 -2.10 0.00 0.00 70.33 69.16 1sbk n THR 74 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1sbk s GLU 75 N -3.38 0.61 1.53 -0.78 2.02 -1.26 -4.04 118.70 113.40 1sbk s GLU 75 Ca 0.05 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.30 1sbk s GLU 75 Cb -0.00 -0.46 0.00 0.00 0.10 0.00 0.00 34.13 33.77 1sbk s GLU 75 CO 0.03 0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.82 1sbk n GLY 76 N 1.60 2.56 0.00 -1.39 0.00 -1.26 -1.00 105.19 105.69 1sbk n GLY 76 Ca -0.21 0.27 0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 0.12 -1.79 1.61 1.02 -1.26 -4.81 120.64 129.53 1sbk n GLU 77 Ca 0.00 0.16 -0.38 0.00 -0.02 0.00 0.00 57.16 56.92 1sbk n GLU 77 Cb 0.00 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 29.96 1sbk n GLU 77 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1sbk s GLN 78 N -2.81 3.11 0.09 3.49 -0.21 -0.17 -4.63 119.66 118.52 1sbk s GLN 78 Ca 0.12 2.22 0.02 0.00 0.02 0.00 0.00 55.36 57.74 1sbk s GLN 78 Cb 0.12 -2.23 -0.04 0.00 1.00 0.00 0.00 33.01 31.86 1sbk s GLN 78 CO 0.30 -1.21 -0.07 0.21 -2.12 0.00 0.00 175.29 172.40 1sbk s LYS 79 N -2.94 0.78 -0.06 2.91 2.47 0.16 -4.74 119.74 118.33 1sbk s LYS 79 Ca 0.72 -1.24 0.06 0.00 -1.56 0.00 0.00 55.97 53.95 1sbk s LYS 79 Cb -0.40 -0.21 -0.01 0.00 -1.46 0.00 0.00 37.83 35.75 1sbk s LYS 79 CO 0.47 -0.01 -0.24 0.08 0.16 0.00 0.00 175.35 175.82 1sbk s VAL 80 N -3.26 1.94 -0.02 4.02 1.01 -1.26 -0.69 120.40 122.15 1sbk s VAL 80 Ca 0.08 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 61.12 1sbk s VAL 80 Cb 0.03 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 1sbk s VAL 80 CO -0.04 0.54 -0.20 -0.69 0.00 0.00 0.00 175.10 174.71 1sbk s VAL 81 N -0.12 1.58 -0.21 2.92 1.01 -0.48 -4.97 120.40 120.13 1sbk s VAL 81 Ca -0.04 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 1sbk s VAL 81 Cb -0.13 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1sbk s VAL 81 CO 0.03 0.45 1.14 -0.83 0.00 0.00 0.00 175.10 175.89 1sbk s GLY 82 N -0.42 1.66 -0.21 4.51 0.00 -1.26 -1.32 107.32 110.28 1sbk s GLY 82 Ca 0.06 0.27 -0.08 0.00 0.00 0.00 0.00 44.72 44.98 1sbk s GLY 82 CO -0.00 2.33 0.02 -0.10 0.00 0.00 0.00 173.10 175.35 1sbk n LEU 83 N 6.52 2.50 -3.71 0.66 7.94 0.43 -4.96 117.00 126.38 1sbk n LEU 83 Ca 0.13 0.15 -0.12 0.00 -1.11 0.00 0.00 56.01 55.06 1sbk n LEU 83 Cb 0.46 -0.97 -0.10 0.00 0.53 0.00 0.00 43.42 43.33 1sbk n LEU 83 CO 0.54 0.74 0.09 -0.70 -1.11 0.00 0.00 177.39 176.95 1sbk s GLU 84 N -2.50 0.47 0.02 1.96 2.56 -1.04 -5.01 118.70 115.16 1sbk s GLU 84 Ca -0.30 0.68 0.01 0.00 0.00 0.00 0.00 54.97 55.36 1sbk s GLU 84 Cb 0.09 0.14 -0.01 0.00 2.00 0.00 0.00 34.13 36.34 1sbk s GLU 84 CO 0.64 -0.10 -0.04 -1.50 -0.56 0.00 0.00 175.26 173.70 1sbk s ILE 85 N 0.70 0.26 0.02 -3.70 2.07 -1.26 -0.41 121.20 118.88 1sbk s ILE 85 Ca -0.04 -0.67 -0.12 0.00 -1.41 0.00 0.00 60.65 58.42 1sbk s ILE 85 Cb -0.05 -0.32 0.01 0.00 0.13 0.00 0.00 42.46 42.23 1sbk s ILE 85 CO -0.05 -0.27 0.24 0.54 -1.91 0.00 0.00 174.94 173.49 1sbk s ASN 86 N -0.99 -0.07 -0.04 4.50 2.20 -0.88 -5.02 114.94 114.64 1sbk s ASN 86 Ca -0.08 -0.16 -0.18 0.00 -0.94 0.00 0.00 52.86 51.50 1sbk s ASN 86 Cb -0.07 0.29 0.04 0.00 -2.00 0.00 0.00 41.25 39.51 1sbk s ASN 86 CO -0.00 -0.50 0.40 0.00 -2.94 0.00 0.00 177.10 174.06 1sbk s ALA 87 N -1.94 -1.03 -0.20 3.54 0.00 -1.26 -1.47 121.76 119.40 1sbk s ALA 87 Ca -0.10 0.65 -0.04 0.00 0.00 0.00 0.00 51.96 52.47 1sbk s ALA 87 Cb -0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1sbk s ALA 87 CO -0.00 -0.28 -0.02 -0.80 0.00 0.00 0.00 175.76 174.66 1sbk s ASN 88 N -1.10 4.60 -0.34 0.00 0.01 0.62 -4.98 114.94 113.75 1sbk s ASN 88 Ca -0.11 -0.28 -0.20 0.00 -0.71 0.00 0.00 52.86 51.56 1sbk s ASN 88 Cb -0.04 -1.78 -0.00 0.00 0.41 0.00 0.00 41.25 39.84 1sbk s ASN 88 CO 0.05 0.04 0.61 -1.00 -1.51 0.00 0.00 177.10 175.29 1sbk s HIS 89 N 1.14 3.17 -0.01 2.20 3.76 -1.26 -2.23 115.29 122.07 1sbk s HIS 89 Ca 0.02 0.38 0.03 0.00 -0.15 0.00 0.00 55.06 55.34 1sbk s HIS 89 Cb -0.14 -3.07 -0.04 0.00 1.11 0.00 0.00 32.58 30.43 1sbk s HIS 89 CO 0.00 -0.57 0.05 1.33 -0.85 0.00 0.00 174.74 174.71 1sbk n VAL 90 N 5.51 0.05 -3.81 -0.90 0.24 -0.60 -5.03 118.33 113.79 1sbk n VAL 90 Ca -0.02 -0.08 -0.13 0.00 -2.04 0.00 0.00 64.34 62.07 1sbk n VAL 90 Cb 0.49 0.12 -0.13 0.00 -1.47 0.00 0.00 33.84 32.84 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 -2.18 0.14 0.53 7.34 6.06 -0.84 -4.98 118.95 125.02 1sbk s ARG 91 Ca -0.01 0.23 -0.10 0.00 -2.50 0.00 0.00 55.73 53.35 1sbk s ARG 91 Cb 0.02 0.01 -0.05 0.00 0.06 0.00 0.00 34.95 34.99 1sbk s ARG 91 CO 0.13 -0.05 0.91 -1.54 -2.50 0.00 0.00 175.30 172.24 1sbk s SER 92 N 0.34 6.35 0.01 -2.12 1.04 -1.26 -4.57 113.70 113.49 1sbk s SER 92 Ca -0.02 1.26 0.03 0.00 0.48 0.00 0.00 55.95 57.70 1sbk s SER 92 Cb -0.03 -2.39 -0.01 0.00 0.10 0.00 0.00 66.02 63.68 1sbk s SER 92 CO -0.01 -0.66 -0.09 0.00 0.98 0.00 0.00 173.24 173.45 1sbk s ALA 93 N -2.83 0.76 0.00 5.32 0.00 -1.26 -5.00 121.76 118.75 1sbk s ALA 93 Ca 0.53 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1sbk s ALA 93 Cb -0.11 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1sbk s ALA 93 CO 0.44 0.14 0.00 0.54 0.00 0.00 0.00 175.76 176.88 1sbk n ARG 94 N 2.38 2.95 -3.93 0.00 3.00 -1.26 -0.57 116.66 119.23 1sbk n ARG 94 Ca -0.16 0.00 -0.11 0.00 -0.01 0.00 0.00 57.85 57.56 1sbk n ARG 94 Cb 0.56 -0.67 -0.00 0.00 0.00 0.00 0.00 32.46 32.35 1sbk n ARG 94 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1sbk s GLU 95 N -1.16 2.12 4.55 5.56 -1.05 -1.26 -4.88 118.70 122.58 1sbk s GLU 95 Ca 0.00 -1.60 0.00 0.00 -0.15 0.00 0.00 54.97 53.22 1sbk s GLU 95 Cb 0.00 0.55 0.00 0.00 -0.44 0.00 0.00 34.13 34.24 1sbk s GLU 95 CO 0.00 -0.95 0.00 0.41 0.95 0.00 0.00 175.26 175.67 1sbk n GLY 96 N -0.55 1.55 3.25 -3.83 0.00 -1.26 -4.66 105.19 99.68 1sbk n GLY 96 Ca -0.04 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.16 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 1.47 0.29 1.61 0.52 -1.26 -0.79 118.95 120.79 1sbk s ARG 97 Ca 0.00 -0.90 0.01 0.00 -0.52 0.00 0.00 55.73 54.31 1sbk s ARG 97 Cb 0.00 -1.55 -0.04 0.00 0.52 0.00 0.00 34.95 33.88 1sbk s ARG 97 CO 0.00 0.40 0.47 0.14 0.02 0.00 0.00 175.30 176.34 1sbk s VAL 98 N -0.73 5.15 -0.12 3.52 -7.23 -1.26 -3.66 120.40 116.08 1sbk s VAL 98 Ca 0.08 -0.51 0.01 0.00 -1.81 0.00 0.00 61.98 59.75 1sbk s VAL 98 Cb -0.09 -3.82 0.02 0.00 0.56 0.00 0.00 36.38 33.05 1sbk s VAL 98 CO 0.01 -0.41 -0.14 -0.60 -0.31 0.00 0.00 175.10 173.65 1sbk s ARG 99 N -3.97 2.14 -0.18 4.82 3.52 0.73 -4.36 118.95 121.66 1sbk s ARG 99 Ca 0.39 -0.52 -0.07 0.00 -0.13 0.00 0.00 55.73 55.40 1sbk s ARG 99 Cb -0.10 -1.88 -0.04 0.00 -1.56 0.00 0.00 34.95 31.38 1sbk s ARG 99 CO 0.33 -0.12 0.05 0.20 -0.81 0.00 0.00 175.30 174.95 1sbk s GLY 100 N 1.15 1.88 -0.17 8.12 0.00 0.19 0.12 107.32 118.62 1sbk s GLY 100 Ca -0.03 -0.75 -0.01 0.00 0.00 0.00 0.00 44.72 43.93 1sbk s GLY 100 CO -0.04 0.03 -0.13 0.14 0.00 0.00 0.00 173.10 173.10 1sbk s VAL 101 N 0.34 2.78 -0.13 1.40 1.01 0.11 -1.82 120.40 124.08 1sbk s VAL 101 Ca 0.02 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 1sbk s VAL 101 Cb -0.13 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 1sbk s VAL 101 CO 0.00 0.50 -0.09 0.00 0.00 0.00 0.00 175.10 175.52 1sbk s LYS 103 N 0.24 0.50 0.35 0.00 2.20 -0.46 -1.81 119.74 120.77 1sbk s LYS 103 Ca -0.06 -0.56 -0.26 0.00 -0.36 0.00 0.00 55.97 54.73 1sbk s LYS 103 Cb -0.15 -0.35 -0.09 0.00 -1.51 0.00 0.00 37.83 35.73 1sbk s LYS 103 CO 0.04 0.08 1.01 -1.25 -0.36 0.00 0.00 175.35 174.87 1sbk s PRO 104 N -1.06 4.41 -0.10 4.03 0.04 -1.26 -1.10 135.00 139.96 1sbk s PRO 104 Ca -0.06 1.47 0.09 0.00 0.04 0.00 0.00 61.00 62.54 1sbk s PRO 104 Cb -0.07 -2.74 -0.12 0.00 0.04 0.00 0.00 34.50 31.60 1sbk s PRO 104 CO 0.00 0.09 0.03 1.28 0.04 0.00 0.00 177.00 178.44 1sbk n LEU 105 N 0.37 0.10 -3.64 -3.56 4.77 0.89 -4.87 117.00 111.06 1sbk n LEU 105 Ca 0.03 -0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.93 1sbk n LEU 105 Cb 0.49 0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 41.74 1sbk n LEU 105 CO 0.46 0.27 0.38 -2.28 -1.33 0.00 0.00 177.39 174.89 1sbk s HIS 106 N -2.25 -1.00 -0.27 -1.77 5.04 -1.00 -4.94 115.29 109.09 1sbk s HIS 106 Ca -0.05 2.04 0.01 0.00 -1.54 0.00 0.00 55.06 55.52 1sbk s HIS 106 Cb 0.03 0.58 0.07 0.00 0.04 0.00 0.00 32.58 33.30 1sbk s HIS 106 CO 0.41 -0.50 -0.02 -0.51 -2.34 0.00 0.00 174.74 171.79 1sbk s LEU 107 N 1.48 3.06 0.00 8.88 1.43 -1.26 -0.47 118.68 131.80 1sbk s LEU 107 Ca -0.09 -1.46 0.02 0.00 -1.03 0.00 0.00 54.13 51.58 1sbk s LEU 107 Cb -0.05 -1.26 0.02 0.00 0.03 0.00 0.00 46.19 44.93 1sbk s LEU 107 CO -0.17 -0.28 0.19 0.61 0.23 0.00 0.00 176.35 176.93 1sbk n GLY 108 N 4.59 3.18 0.16 -3.19 0.00 0.86 -5.02 105.19 105.76 1sbk n GLY 108 Ca -0.08 -2.33 0.02 0.00 0.00 0.00 0.00 46.02 43.63 1sbk n GLY 108 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1sbk h SER 109 N 0.92 0.00 0.00 1.61 4.64 -2.01 -3.35 113.55 115.36 1sbk h SER 109 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1sbk h SER 109 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1sbk h SER 109 CO 0.61 0.51 -0.26 0.54 -0.87 0.00 0.00 176.83 177.36 1sbk n ARG 110 N -3.62 4.17 -3.88 4.77 1.74 -1.26 -4.81 116.66 113.78 1sbk n ARG 110 Ca -0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 1sbk n ARG 110 Cb 0.59 -0.57 -0.08 0.00 -1.02 0.00 0.00 32.46 31.38 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 -1.07 0.14 0.04 -1.55 3.76 -1.26 -0.61 115.29 114.74 1sbk s HIS 111 Ca 0.00 -0.45 -0.00 0.00 -0.15 0.00 0.00 55.06 54.46 1sbk s HIS 111 Cb 0.00 -0.08 -0.03 0.00 1.11 0.00 0.00 32.58 33.58 1sbk s HIS 111 CO 0.00 -0.45 -0.04 -0.65 -0.85 0.00 0.00 174.74 172.75 1sbk s GLN 112 N -3.04 0.52 -0.10 1.40 -0.21 -0.92 -0.10 119.66 117.21 1sbk s GLN 112 Ca -0.01 -0.97 -0.01 0.00 0.02 0.00 0.00 55.36 54.39 1sbk s GLN 112 Cb 0.01 0.08 0.03 0.00 1.00 0.00 0.00 33.01 34.13 1sbk s GLN 112 CO -0.06 -0.06 -0.05 0.08 -2.12 0.00 0.00 175.29 173.07 1sbk s VAL 113 N -2.75 0.83 0.01 1.09 1.01 0.38 -1.32 120.40 119.65 1sbk s VAL 113 Ca -0.02 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 61.85 1sbk s VAL 113 Cb -0.01 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 1sbk s VAL 113 CO -0.05 0.33 -0.18 0.26 0.00 0.00 0.00 175.10 175.46 1sbk s TRP 114 N 1.79 2.58 -0.15 5.22 0.52 0.32 -0.08 118.94 129.14 1sbk s TRP 114 Ca 0.05 -0.24 -0.01 0.00 0.02 0.00 0.00 56.10 55.92 1sbk s TRP 114 Cb -0.12 -1.51 -0.01 0.00 -1.15 0.00 0.00 33.47 30.67 1sbk s TRP 114 CO -0.07 0.21 -0.12 -1.14 0.02 0.00 0.00 176.95 175.85 1sbk s GLN 115 N -1.19 3.35 -0.15 4.98 0.74 -0.26 -0.13 119.66 126.99 1sbk s GLN 115 Ca 0.13 -0.69 0.02 0.00 0.05 0.00 0.00 55.36 54.87 1sbk s GLN 115 Cb -0.10 -2.70 0.02 0.00 1.10 0.00 0.00 33.01 31.32 1sbk s GLN 115 CO 0.04 0.09 -0.19 0.42 -0.55 0.00 0.00 175.29 175.09 1sbk s ILE 116 N 0.66 1.93 -0.17 -2.34 1.09 0.92 -1.36 121.20 121.93 1sbk s ILE 116 Ca -0.06 -0.88 -0.03 0.00 -1.10 0.00 0.00 60.65 58.58 1sbk s ILE 116 Cb -0.15 -1.73 -0.02 0.00 -1.06 0.00 0.00 42.46 39.49 1sbk s ILE 116 CO 0.02 0.52 -0.05 -1.61 -0.10 0.00 0.00 174.94 173.72 1sbk s GLU 117 N 1.09 3.53 -0.14 2.79 0.41 -0.20 -0.10 118.70 126.08 1sbk s GLU 117 Ca -0.01 -0.58 -0.01 0.00 -0.41 0.00 0.00 54.97 53.96 1sbk s GLU 117 Cb -0.14 -2.90 -0.01 0.00 -1.78 0.00 0.00 34.13 29.29 1sbk s GLU 117 CO -0.07 0.09 -0.11 0.42 -0.49 0.00 0.00 175.26 175.10 1sbk s ILE 118 N 0.74 3.13 0.18 -1.63 1.01 0.66 0.07 121.20 125.36 1sbk s ILE 118 Ca -0.02 -0.62 0.11 0.00 0.00 0.00 0.00 60.65 60.11 1sbk s ILE 118 Cb -0.15 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 1sbk s ILE 118 CO 0.02 0.51 -0.22 -0.36 0.00 0.00 0.00 174.94 174.89 1sbk s PHE 119 N 0.49 2.36 0.94 3.97 0.40 0.12 -0.74 117.98 125.52 1sbk s PHE 119 Ca -0.08 -0.34 -0.14 0.00 -0.60 0.00 0.00 56.93 55.77 1sbk s PHE 119 Cb -0.16 -1.18 0.20 0.00 0.51 0.00 0.00 43.02 42.40 1sbk s PHE 119 CO 0.04 0.49 1.29 0.16 0.70 0.00 0.00 175.22 177.90 1sbk s ASP 120 N -2.64 3.20 0.58 1.36 1.47 -0.28 -0.19 116.67 120.16 1sbk s ASP 120 Ca 0.21 0.17 0.27 0.00 1.18 0.00 0.00 52.55 54.39 1sbk s ASP 120 Cb -0.08 -0.23 1.64 0.00 -0.34 0.00 0.00 42.92 43.90 1sbk s ASP 120 CO 0.10 -2.67 2.13 1.05 0.68 0.00 0.00 175.17 176.47 1sbk h GLU 121 N -1.54 0.00 -0.61 2.11 4.11 -1.86 -0.34 114.58 116.45 1sbk h GLU 121 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1sbk h GLU 121 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1sbk h GLU 121 CO 0.37 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.08 1sbk n LYS 122 N -3.93 2.76 -0.98 1.06 5.02 -1.26 -4.92 118.16 115.90 1sbk n LYS 122 Ca 0.01 -1.76 0.00 0.00 -2.02 0.00 0.00 58.31 54.53 1sbk n LYS 122 Cb 0.26 -1.69 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 0.75 0.47 3.79 0.72 0.00 -0.14 -5.03 105.19 105.76 1sbk n GLY 123 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.35 4.44 -0.02 1.61 0.52 -1.26 -4.77 118.95 119.12 1sbk s ARG 124 Ca 0.00 1.04 -0.30 0.00 -0.52 0.00 0.00 55.73 55.95 1sbk s ARG 124 Cb 0.00 -3.11 -0.06 0.00 0.52 0.00 0.00 34.95 32.30 1sbk s ARG 124 CO 0.00 0.51 1.57 -1.17 0.02 0.00 0.00 175.30 176.23 1sbk s LEU 125 N -1.46 4.32 -0.14 2.53 2.96 -1.26 -1.13 118.68 124.50 1sbk s LEU 125 Ca 0.38 2.22 0.05 0.00 -0.22 0.00 0.00 54.13 56.56 1sbk s LEU 125 Cb -0.21 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 42.82 1sbk s LEU 125 CO 0.24 -0.86 -0.07 0.00 -1.32 0.00 0.00 176.35 174.34 1sbk s SER 128 N 0.62 2.87 0.06 0.00 0.15 -0.95 -0.25 113.70 116.21 1sbk s SER 128 Ca -0.04 -0.50 -0.02 0.00 0.70 0.00 0.00 55.95 56.10 1sbk s SER 128 Cb -0.05 -1.03 -0.04 0.00 -1.71 0.00 0.00 66.02 63.19 1sbk s SER 128 CO -0.04 0.19 0.01 -0.55 1.20 0.00 0.00 173.24 174.04 1sbk s SER 129 N 0.12 0.43 -0.03 5.45 0.15 0.86 -0.28 113.70 120.39 1sbk s SER 129 Ca -0.10 -0.98 0.01 0.00 0.70 0.00 0.00 55.95 55.58 1sbk s SER 129 Cb -0.15 0.23 0.02 0.00 -1.71 0.00 0.00 66.02 64.40 1sbk s SER 129 CO 0.06 -0.63 -0.04 -0.60 1.20 0.00 0.00 173.24 173.22 1sbk s ARG 130 N -3.93 0.69 -0.05 5.44 3.52 -0.54 -0.05 118.95 124.03 1sbk s ARG 130 Ca 0.08 -0.10 0.06 0.00 -0.13 0.00 0.00 55.73 55.64 1sbk s ARG 130 Cb 0.08 -0.71 -0.01 0.00 -1.56 0.00 0.00 34.95 32.74 1sbk s ARG 130 CO -0.09 -0.04 -0.25 -1.17 -0.81 0.00 0.00 175.30 172.94 1sbk s LEU 131 N 0.70 2.07 -0.17 -0.88 2.96 0.81 -2.06 118.68 122.11 1sbk s LEU 131 Ca -0.09 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.30 1sbk s LEU 131 Cb -0.12 -1.37 -0.01 0.00 0.50 0.00 0.00 46.19 45.19 1sbk s LEU 131 CO -0.00 0.25 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.29 1sbk s THR 132 N -0.21 3.08 0.29 3.68 2.01 0.46 -0.52 115.64 124.44 1sbk s THR 132 Ca -0.02 -0.62 0.11 0.00 0.31 0.00 0.00 61.69 61.47 1sbk s THR 132 Cb -0.13 -2.34 -0.05 0.00 0.01 0.00 0.00 72.50 69.98 1sbk s THR 132 CO 0.03 0.49 -0.17 0.42 -0.69 0.00 0.00 174.62 174.70 1sbk s THR 133 N 0.87 2.39 -0.01 -0.82 -4.23 -0.43 -0.42 115.64 112.98 1sbk s THR 133 Ca -0.03 -2.35 0.08 0.00 -1.18 0.00 0.00 61.69 58.21 1sbk s THR 133 Cb -0.15 -2.38 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 1sbk s THR 133 CO 0.00 -0.35 -0.26 0.00 -0.54 0.00 0.00 174.62 173.47 1sbk s ALA 134 N -2.56 2.16 -0.24 3.99 0.00 -0.44 -2.17 121.76 122.52 1sbk s ALA 134 Ca 0.30 -1.13 -0.10 0.00 0.00 0.00 0.00 51.96 51.03 1sbk s ALA 134 Cb -0.03 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 1sbk s ALA 134 CO 0.15 0.53 0.15 0.42 0.00 0.00 0.00 175.76 177.00 1sbk s ILE 135 N -0.63 5.24 0.17 0.00 -1.09 0.22 -1.39 121.20 123.71 1sbk s ILE 135 Ca 0.10 0.14 0.04 0.00 -2.23 0.00 0.00 60.65 58.70 1sbk s ILE 135 Cb -0.10 -3.44 -0.05 0.00 -1.58 0.00 0.00 42.46 37.30 1sbk s ILE 135 CO -0.01 0.35 -0.07 -0.76 -1.23 0.00 0.00 174.94 173.22 1sbk s LEU 136 N 1.04 2.43 -0.29 2.97 1.43 0.14 -4.84 118.68 121.56 1sbk s LEU 136 Ca 0.07 -1.07 -0.01 0.00 -1.03 0.00 0.00 54.13 52.09 1sbk s LEU 136 Cb -0.14 -0.31 0.09 0.00 0.03 0.00 0.00 46.19 45.87 1sbk s LEU 136 CO 0.04 -0.39 0.09 -0.76 0.23 0.00 0.00 176.35 175.56 1sbk s LEU 137 N -3.20 1.86 0.00 1.79 1.02 -1.26 -0.66 118.68 118.23 1sbk s LEU 137 Ca 0.19 -1.45 0.00 0.00 0.02 0.00 0.00 54.13 52.90 1sbk s LEU 137 Cb 0.03 -0.76 0.00 0.00 0.02 0.00 0.00 46.19 45.48 1sbk s LEU 137 CO 0.02 -0.40 0.22 -0.62 0.02 0.00 0.00 176.35 175.60