#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sbk n TRP 3 N 0.00 2.91 0.13 4.28 7.02 -1.26 -4.70 117.44 125.82 1sbk n TRP 3 Ca 0.00 0.34 0.02 0.00 -1.02 0.00 0.00 57.50 56.83 1sbk n TRP 3 Cb 0.00 -2.57 -0.02 0.00 -2.42 0.00 0.00 31.31 26.30 1sbk n TRP 3 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1sbk n LYS 4 N 1.42 4.49 -4.41 -0.99 4.76 0.13 -4.97 118.16 118.58 1sbk n LYS 4 Ca 0.05 -0.01 -0.28 0.00 -2.87 0.00 0.00 58.31 55.21 1sbk n LYS 4 Cb 0.38 -0.77 -0.13 0.00 -1.84 0.00 0.00 35.03 32.67 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 -1.55 1.37 -0.20 1.97 0.52 -1.06 -4.84 118.95 115.15 1sbk s ARG 5 Ca 0.01 -1.29 -0.12 0.00 -0.52 0.00 0.00 55.73 53.81 1sbk s ARG 5 Cb 0.03 -1.79 -0.05 0.00 0.52 0.00 0.00 34.95 33.66 1sbk s ARG 5 CO 0.15 0.43 0.23 -1.59 0.02 0.00 0.00 175.30 174.53 1sbk s LYS 6 N -1.96 4.16 0.20 3.54 0.00 -1.26 -4.99 119.74 119.44 1sbk s LYS 6 Ca 0.12 -0.09 -0.09 0.00 0.00 0.00 0.00 55.97 55.91 1sbk s LYS 6 Cb -0.10 -3.48 -0.01 0.00 0.00 0.00 0.00 37.83 34.24 1sbk s LYS 6 CO 0.05 0.15 0.33 -1.50 0.00 0.00 0.00 175.35 174.38 1sbk s ILE 7 N 0.79 0.04 0.18 3.79 2.07 -1.26 -5.17 121.20 121.64 1sbk s ILE 7 Ca 0.12 -1.45 0.09 0.00 -1.41 0.00 0.00 60.65 57.99 1sbk s ILE 7 Cb -0.13 -2.03 -0.04 0.00 0.13 0.00 0.00 42.46 40.39 1sbk s ILE 7 CO 0.03 -0.16 -0.18 0.28 -1.91 0.00 0.00 174.94 173.00 1sbk s THR 8 N -4.01 1.92 0.22 4.00 -1.32 -1.26 -5.04 115.64 110.16 1sbk s THR 8 Ca 0.21 -2.02 -0.08 0.00 -1.21 0.00 0.00 61.69 58.60 1sbk s THR 8 Cb 0.02 -1.95 0.19 0.00 -1.51 0.00 0.00 72.50 69.26 1sbk s THR 8 CO 0.04 -0.35 1.84 -0.07 -2.21 0.00 0.00 174.62 173.88 1sbk h LEU 9 N 3.05 1.08 -0.73 9.08 3.38 -1.99 -1.46 115.31 127.71 1sbk h LEU 9 Ca -0.42 -0.10 0.09 0.00 0.09 0.00 0.00 57.88 57.54 1sbk h LEU 9 Cb 1.21 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 1sbk h LEU 9 CO 0.53 0.87 0.39 -0.08 0.09 0.00 0.00 178.44 180.24 1sbk h GLU 10 N 1.20 0.64 -0.04 1.13 4.57 -1.96 -0.20 114.58 119.92 1sbk h GLU 10 Ca 0.30 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 1sbk h GLU 10 Cb 0.04 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.48 1sbk h GLU 10 CO -0.05 0.42 -0.01 0.00 -1.18 0.00 0.00 179.01 178.20 1sbk h ALA 11 N 1.42 0.05 -0.20 2.92 0.00 -1.85 -2.25 119.26 119.35 1sbk h ALA 11 Ca 0.35 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1sbk h ALA 11 Cb 0.34 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 1sbk h ALA 11 CO -0.25 -0.25 -0.43 -0.07 0.00 0.00 0.00 179.25 178.25 1sbk h LEU 12 N -0.28 -1.38 -1.52 0.00 3.38 -0.71 -1.68 115.31 113.13 1sbk h LEU 12 Ca 0.01 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1sbk h LEU 12 Cb 0.39 0.57 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1sbk h LEU 12 CO 0.00 -0.42 0.26 0.78 0.09 0.00 0.00 178.44 179.16 1sbk h ASN 13 N -0.46 0.52 0.00 -0.43 2.35 -1.07 -3.30 115.58 113.18 1sbk h ASN 13 Ca 0.09 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1sbk h ASN 13 Cb 0.62 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1sbk h ASN 13 CO -0.45 0.40 0.00 0.00 -1.65 0.00 0.00 177.43 175.73 1sbk n ALA 14 N -2.47 1.96 0.00 -0.83 0.00 -0.63 -3.90 120.51 114.64 1sbk n ALA 14 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1sbk n ALA 14 Cb 0.08 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 3.71 0.00 0.00 -1.24 -4.90 105.19 104.47 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 4.20 0.00 1.61 0.41 -1.25 -0.42 118.70 123.25 1sbk s GLU 17 Ca 0.00 2.37 0.00 0.00 -0.41 0.00 0.00 54.97 56.93 1sbk s GLU 17 Cb 0.00 -3.30 0.00 0.00 -1.78 0.00 0.00 34.13 29.05 1sbk s GLU 17 CO 0.00 -0.66 0.00 0.41 -0.49 0.00 0.00 175.26 174.52 1sbk n GLY 18 N 3.85 1.63 0.00 -1.39 0.00 -1.26 -4.95 105.19 103.07 1sbk n GLY 18 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.82 -4.99 115.26 111.29 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 -0.25 3.53 0.31 -1.26 -1.92 118.33 118.74 1sbk n VAL 21 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 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 1.19 2.00 2.92 0.00 -1.05 -2.47 103.07 105.66 1sbk h GLY 22 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.67 1sbk h GLY 22 CO 0.00 0.62 0.00 0.74 0.00 0.00 0.00 176.54 177.90 1sbk h PHE 23 N 1.08 0.00 -0.25 5.60 -1.00 -1.59 -2.95 116.94 117.83 1sbk h PHE 23 Ca 0.25 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.03 1sbk h PHE 23 Cb 0.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.80 1sbk h PHE 23 CO 0.02 0.00 0.00 1.28 -1.61 0.00 0.00 178.31 178.00 1sbk n LEU 24 N -2.43 3.08 -3.46 1.54 4.77 -1.05 -4.96 117.00 114.48 1sbk n LEU 24 Ca 0.04 -1.23 -0.25 0.00 -0.03 0.00 0.00 56.01 54.54 1sbk n LEU 24 Cb 0.40 -0.15 0.04 0.00 -2.33 0.00 0.00 43.42 41.37 1sbk n LEU 24 CO 0.28 0.62 0.09 -0.67 -1.33 0.00 0.00 177.39 176.38 1sbk n ASP 25 N 1.29 -5.47 -4.70 -1.43 2.03 -1.01 -4.33 116.55 102.93 1sbk n ASP 25 Ca 0.18 -0.50 -0.42 0.00 0.52 0.00 0.00 54.79 54.56 1sbk n ASP 25 Cb 0.57 -4.39 -0.03 0.00 -0.72 0.00 0.00 41.12 36.56 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 -3.21 4.70 -0.10 5.18 1.01 -0.96 -4.43 121.20 123.38 1sbk s ILE 26 Ca 0.49 1.96 0.01 0.00 0.00 0.00 0.00 60.65 63.11 1sbk s ILE 26 Cb -0.23 -4.26 0.02 0.00 0.01 0.00 0.00 42.46 38.00 1sbk s ILE 26 CO 0.61 0.07 -0.13 -0.13 0.00 0.00 0.00 174.94 175.35 1sbk s ARG 27 N 1.61 1.99 -0.01 2.79 0.52 -0.00 -4.79 118.95 121.06 1sbk s ARG 27 Ca 0.51 -0.47 -0.30 0.00 -0.52 0.00 0.00 55.73 54.95 1sbk s ARG 27 Cb -0.21 -1.75 -0.04 0.00 0.52 0.00 0.00 34.95 33.47 1sbk s ARG 27 CO 0.23 -0.10 1.14 -0.06 0.02 0.00 0.00 175.30 176.53 1sbk s PHE 28 N 1.10 3.38 0.00 -0.53 0.40 -1.26 -0.77 117.98 120.30 1sbk s PHE 28 Ca -0.05 1.36 0.00 0.00 -0.60 0.00 0.00 56.93 57.64 1sbk s PHE 28 Cb -0.14 -3.35 0.00 0.00 0.51 0.00 0.00 43.02 40.04 1sbk s PHE 28 CO -0.03 -0.98 0.00 0.39 0.70 0.00 0.00 175.22 175.30 1sbk n GLU 29 N 4.53 1.18 -3.80 0.44 1.02 -0.53 -4.89 120.64 118.58 1sbk n GLU 29 Ca 0.09 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.11 1sbk n GLU 29 Cb 0.47 -0.90 -0.11 0.00 -0.02 0.00 0.00 31.44 30.88 1sbk n GLU 29 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1sbk s HIS 30 N -1.68 -0.21 -0.16 -0.32 3.76 -1.18 -5.02 115.29 110.47 1sbk s HIS 30 Ca 0.00 0.50 -0.01 0.00 -0.15 0.00 0.00 55.06 55.40 1sbk s HIS 30 Cb 0.00 0.07 0.04 0.00 1.11 0.00 0.00 32.58 33.80 1sbk s HIS 30 CO 0.00 -0.15 -0.05 0.42 -0.85 0.00 0.00 174.74 174.11 1sbk s ILE 31 N -0.11 1.10 0.00 0.60 1.01 -1.26 -1.30 121.20 121.24 1sbk s ILE 31 Ca -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1sbk s ILE 31 Cb -0.02 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 41.17 1sbk s ILE 31 CO 0.01 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.68 1sbk n GLY 32 N 4.88 1.94 0.28 6.18 0.00 0.65 -4.98 105.19 114.14 1sbk n GLY 32 Ca -0.12 -2.03 -0.11 0.00 0.00 0.00 0.00 46.02 43.76 1sbk n GLY 32 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1sbk h ASP 33 N 0.00 0.99 0.00 1.61 -0.00 -2.02 -3.37 116.42 113.64 1sbk h ASP 33 Ca 0.00 -0.37 -0.09 0.00 -0.00 0.00 0.00 57.03 56.56 1sbk h ASP 33 Cb 0.00 -0.27 -0.18 0.00 -0.00 0.00 0.00 39.33 38.88 1sbk h ASP 33 CO 0.00 1.14 -0.62 -0.90 -0.00 0.00 0.00 179.24 178.86 1sbk n ASP 34 N -4.17 0.24 -4.18 2.28 5.75 -1.26 -2.79 116.55 112.42 1sbk n ASP 34 Ca 0.00 -1.87 -0.14 0.00 -0.01 0.00 0.00 54.79 52.77 1sbk n ASP 34 Cb 0.42 -0.13 -0.11 0.00 -1.03 0.00 0.00 41.12 40.27 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 0.92 -0.02 2.12 -4.23 -1.26 -4.09 115.64 109.08 1sbk s THR 35 Ca 0.14 -1.73 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 1sbk s THR 35 Cb 0.16 -1.46 0.02 0.00 1.34 0.00 0.00 72.50 72.56 1sbk s THR 35 CO -0.07 -0.63 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.15 1sbk s LEU 36 N -2.62 1.45 0.02 4.79 2.96 -0.64 -0.26 118.68 124.40 1sbk s LEU 36 Ca 0.08 -0.04 0.05 0.00 -0.22 0.00 0.00 54.13 53.99 1sbk s LEU 36 Cb -0.01 -0.20 -0.02 0.00 0.50 0.00 0.00 46.19 46.46 1sbk s LEU 36 CO -0.01 -0.05 -0.14 -1.61 -1.32 0.00 0.00 176.35 173.22 1sbk s GLU 37 N 0.65 0.97 -0.01 1.98 2.02 -0.42 -0.45 118.70 123.44 1sbk s GLU 37 Ca -0.06 -0.66 -0.11 0.00 0.02 0.00 0.00 54.97 54.15 1sbk s GLU 37 Cb -0.09 -0.96 0.01 0.00 0.10 0.00 0.00 34.13 33.19 1sbk s GLU 37 CO -0.01 0.25 0.23 0.00 0.02 0.00 0.00 175.26 175.74 1sbk s ALA 38 N -0.68 -0.57 0.00 5.21 0.00 -1.02 -1.46 121.76 123.24 1sbk s ALA 38 Ca 0.03 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1sbk s ALA 38 Cb -0.07 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1sbk s ALA 38 CO 0.01 -0.23 0.00 0.25 0.00 0.00 0.00 175.76 175.79 1sbk n THR 39 N 1.43 0.00 -4.26 0.00 -2.24 0.05 -0.67 114.28 108.59 1sbk n THR 39 Ca -0.22 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.27 1sbk n THR 39 Cb 0.56 -0.55 -0.10 0.00 -2.10 0.00 0.00 70.33 68.14 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 -0.14 1.98 -0.71 -0.78 0.04 -1.26 -0.82 135.00 133.30 1sbk s PRO 41 Ca 0.00 -1.12 -0.10 0.00 0.04 0.00 0.00 61.00 59.82 1sbk s PRO 41 Cb 0.00 -2.21 0.19 0.00 0.04 0.00 0.00 34.50 32.52 1sbk s PRO 41 CO 0.00 0.49 0.61 0.08 0.04 0.00 0.00 177.00 178.21 1sbk s VAL 42 N -1.26 4.81 0.00 -0.36 1.01 -0.57 -4.66 120.40 119.38 1sbk s VAL 42 Ca 0.21 -2.55 0.00 0.00 0.00 0.00 0.00 61.98 59.64 1sbk s VAL 42 Cb -0.11 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1sbk s VAL 42 CO 0.13 -0.95 0.00 -0.90 0.00 0.00 0.00 175.10 173.38 1sbk n ASP 43 N 3.93 0.00 -0.40 3.32 5.68 -1.26 -4.30 116.55 123.52 1sbk n ASP 43 Ca 0.09 -0.83 0.32 0.00 -0.50 0.00 0.00 54.79 53.86 1sbk n ASP 43 Cb 0.43 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.00 1sbk n ASP 43 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 1sbk h SER 44 N 0.00 0.33 1.23 -1.12 0.87 -1.94 0.13 113.55 113.05 1sbk h SER 44 Ca 0.00 0.14 -0.07 0.00 -1.23 0.00 0.00 61.79 60.64 1sbk h SER 44 Cb 0.00 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1sbk h SER 44 CO 0.00 -0.14 -0.32 0.03 -0.53 0.00 0.00 176.83 175.87 1sbk h ARG 45 N 0.17 0.00 -0.03 2.24 3.08 -1.96 -3.31 114.38 114.57 1sbk h ARG 45 Ca 0.77 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.82 1sbk h ARG 45 Cb 2.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.26 1sbk h ARG 45 CO -0.45 0.32 0.00 0.25 -1.07 0.00 0.00 179.97 179.02 1sbk n THR 46 N -3.31 1.40 -4.04 2.04 -2.24 0.33 -5.04 114.28 103.41 1sbk n THR 46 Ca 0.01 -1.53 -0.25 0.00 -2.27 0.00 0.00 64.05 60.02 1sbk n THR 46 Cb 0.56 0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.81 3.11 0.35 -0.78 1.02 -0.45 -0.02 119.74 121.17 1sbk s LYS 47 Ca 0.15 -0.82 0.07 0.00 0.02 0.00 0.00 55.97 55.39 1sbk s LYS 47 Cb 0.13 -2.74 -0.01 0.00 -0.52 0.00 0.00 37.83 34.69 1sbk s LYS 47 CO 0.02 0.47 0.48 1.14 -0.92 0.00 0.00 175.35 176.54 1sbk s GLN 48 N -3.39 3.05 0.30 1.68 1.03 -0.10 -4.65 119.66 117.58 1sbk s GLN 48 Ca 0.33 -1.07 0.15 0.00 0.04 0.00 0.00 55.36 54.81 1sbk s GLN 48 Cb -0.10 -2.79 1.05 0.00 0.03 0.00 0.00 33.01 31.20 1sbk s GLN 48 CO 0.26 0.00 1.33 -2.30 -2.54 0.00 0.00 175.29 172.04 1sbk n PRO 49 N -1.67 -0.05 -0.43 9.60 -0.02 -1.26 -1.50 135.00 139.67 1sbk n PRO 49 Ca 0.01 1.18 0.00 0.00 -2.02 0.00 0.00 63.50 62.68 1sbk n PRO 49 Cb 0.58 -2.08 0.16 0.00 -0.02 0.00 0.00 33.50 32.15 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 -4.96 1.03 -0.44 6.00 3.01 -1.26 -4.91 117.46 115.93 1sbk n PHE 50 Ca 0.30 -0.49 0.00 0.00 1.01 0.00 0.00 57.45 58.27 1sbk n PHE 50 Cb 1.01 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 40.13 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 0.17 1.42 3.95 1.37 0.00 -0.56 -5.05 105.19 106.48 1sbk n GLY 51 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 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 4.07 0.25 0.99 1.43 -1.26 -4.78 118.68 119.39 1sbk s LEU 52 Ca 0.00 -0.11 -0.31 0.00 -1.03 0.00 0.00 54.13 52.68 1sbk s LEU 52 Cb 0.00 -2.71 -0.13 0.00 0.03 0.00 0.00 46.19 43.38 1sbk s LEU 52 CO 0.00 -0.23 1.55 -0.11 0.23 0.00 0.00 176.35 177.79 1sbk n LEU 53 N -1.47 3.73 -4.68 1.79 7.94 0.81 -0.93 117.00 124.19 1sbk n LEU 53 Ca -0.05 1.13 -0.42 0.00 -1.11 0.00 0.00 56.01 55.55 1sbk n LEU 53 Cb 0.58 -1.51 -0.03 0.00 0.53 0.00 0.00 43.42 42.99 1sbk n LEU 53 CO 0.43 -0.11 1.07 -2.28 -1.11 0.00 0.00 177.39 175.39 1sbk s HIS 54 N 0.25 2.92 0.47 1.96 5.65 0.98 -4.67 115.29 122.85 1sbk s HIS 54 Ca 0.69 0.96 0.20 0.00 0.25 0.00 0.00 55.06 57.16 1sbk s HIS 54 Cb -0.57 -3.56 1.21 0.00 -1.18 0.00 0.00 32.58 28.47 1sbk s HIS 54 CO 0.45 -1.99 1.95 0.78 -0.65 0.00 0.00 174.74 175.29 1sbk h GLY 55 N 8.63 0.38 2.00 1.59 0.00 -1.91 0.58 103.07 114.35 1sbk h GLY 55 Ca -0.35 -0.10 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 1sbk h GLY 55 CO 0.91 0.04 -0.32 -1.33 0.00 0.00 0.00 176.54 175.84 1sbk h GLY 56 N 0.23 0.00 0.99 4.60 0.00 -1.95 -2.54 103.07 104.39 1sbk h GLY 56 Ca 0.32 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.57 1sbk h GLY 56 CO -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.46 1sbk h ALA 57 N 1.68 0.61 -0.04 3.60 0.00 -0.14 -0.95 119.26 124.03 1sbk h ALA 57 Ca -0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1sbk h ALA 57 Cb 0.58 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1sbk h ALA 57 CO 0.04 0.42 -0.16 0.66 0.00 0.00 0.00 179.25 180.21 1sbk h SER 58 N 0.65 0.06 0.12 0.00 4.64 -1.14 -1.66 113.55 116.24 1sbk h SER 58 Ca 0.13 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.23 1sbk h SER 58 Cb 0.52 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1sbk h SER 58 CO 0.03 0.23 -0.77 0.58 -0.87 0.00 0.00 176.83 176.03 1sbk h VAL 59 N 0.06 1.34 -0.33 0.95 2.07 -1.15 -1.54 116.25 117.65 1sbk h VAL 59 Ca 0.01 -2.11 0.02 0.00 0.82 0.00 0.00 66.70 65.44 1sbk h VAL 59 Cb 0.33 2.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 1sbk h VAL 59 CO 0.02 0.65 0.17 0.58 0.02 0.00 0.00 177.57 179.01 1sbk h VAL 60 N 0.36 1.00 -0.59 2.57 2.07 -0.31 0.42 116.25 121.78 1sbk h VAL 60 Ca -0.04 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1sbk h VAL 60 Cb 1.37 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1sbk h VAL 60 CO 0.14 0.06 0.25 0.25 0.02 0.00 0.00 177.57 178.30 1sbk h LEU 61 N 0.35 0.79 -0.04 2.57 5.85 -1.27 -1.54 115.31 122.02 1sbk h LEU 61 Ca 0.13 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1sbk h LEU 61 Cb 0.04 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 1sbk h LEU 61 CO -0.08 0.73 0.02 0.00 -0.34 0.00 0.00 178.44 178.77 1sbk h ALA 62 N 1.09 0.05 0.00 1.25 0.00 -0.88 -2.57 119.26 118.21 1sbk h ALA 62 Ca 0.20 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1sbk h ALA 62 Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1sbk h ALA 62 CO -0.02 -0.41 -0.31 1.49 0.00 0.00 0.00 179.25 180.01 1sbk h GLU 63 N -0.02 0.00 0.11 0.00 4.81 -0.84 -1.05 114.58 117.59 1sbk h GLU 63 Ca 0.02 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1sbk h GLU 63 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1sbk h GLU 63 CO -0.00 0.31 -0.05 0.77 -0.73 0.00 0.00 179.01 179.30 1sbk h SER 64 N 0.00 -0.12 -0.25 1.04 0.02 -1.12 -1.28 113.55 111.84 1sbk h SER 64 Ca -0.00 -0.35 -0.05 0.00 -0.84 0.00 0.00 61.79 60.55 1sbk h SER 64 Cb 0.70 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 1sbk h SER 64 CO 0.04 0.30 -0.06 0.40 -1.14 0.00 0.00 176.83 176.38 1sbk h ILE 65 N -0.57 1.28 -0.92 3.27 2.04 -1.43 -2.55 117.51 118.63 1sbk h ILE 65 Ca -0.01 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.79 1sbk h ILE 65 Cb 0.46 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 1sbk h ILE 65 CO 0.02 0.33 0.58 1.23 0.00 0.00 0.00 178.15 180.31 1sbk h GLY 66 N 0.22 1.31 1.38 5.37 0.00 -1.24 0.13 103.07 110.24 1sbk h GLY 66 Ca 0.06 -0.52 -0.20 0.00 0.00 0.00 0.00 47.33 46.68 1sbk h GLY 66 CO 0.02 0.51 -0.70 1.48 0.00 0.00 0.00 176.54 177.85 1sbk h SER 67 N 1.26 0.73 -0.13 0.19 4.64 -1.22 -1.40 113.55 117.61 1sbk h SER 67 Ca 0.33 -0.45 -0.19 0.00 -0.47 0.00 0.00 61.79 61.00 1sbk h SER 67 Cb -0.09 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 61.79 1sbk h SER 67 CO -0.07 1.22 -0.68 -0.37 -0.87 0.00 0.00 176.83 176.06 1sbk h VAL 68 N 0.44 1.31 -0.67 0.95 -1.51 -1.20 -1.50 116.25 114.05 1sbk h VAL 68 Ca -0.03 -1.92 0.04 0.00 -1.23 0.00 0.00 66.70 63.56 1sbk h VAL 68 Cb 1.29 2.06 -0.04 0.00 -2.13 0.00 0.00 31.29 32.47 1sbk h VAL 68 CO 0.13 0.60 0.41 0.00 -1.23 0.00 0.00 177.57 177.48 1sbk h ALA 69 N 0.52 0.89 -0.48 5.19 0.00 -0.74 0.17 119.26 124.81 1sbk h ALA 69 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sbk h ALA 69 Cb 1.31 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1sbk h ALA 69 CO 0.14 0.16 0.30 0.78 0.00 0.00 0.00 179.25 180.63 1sbk h GLY 70 N 0.80 0.68 1.46 0.00 0.00 -1.15 -2.00 103.07 102.86 1sbk h GLY 70 Ca 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1sbk h GLY 70 CO -0.12 0.26 0.34 -1.82 0.00 0.00 0.00 176.54 175.20 1sbk h TYR 71 N 0.64 0.70 0.00 5.60 3.20 -0.45 -1.18 116.97 125.48 1sbk h TYR 71 Ca 0.17 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1sbk h TYR 71 Cb -0.04 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.00 1sbk h TYR 71 CO -0.04 0.45 0.00 1.28 -1.64 0.00 0.00 178.16 178.22 1sbk n LEU 72 N -4.44 0.00 -0.97 2.82 4.32 -0.03 -2.20 117.00 116.50 1sbk n LEU 72 Ca 0.05 0.39 0.08 0.00 -0.02 0.00 0.00 56.01 56.51 1sbk n LEU 72 Cb 0.06 -0.39 0.26 0.00 -1.62 0.00 0.00 43.42 41.74 1sbk n LEU 72 CO 0.36 -0.16 0.72 0.00 -1.22 0.00 0.00 177.39 177.09 1sbk s THR 74 N -2.61 1.54 0.28 0.00 -4.23 -0.93 -4.74 115.64 104.95 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 -2.77 -0.05 0.00 1.34 0.00 0.00 72.50 71.34 1sbk s THR 74 CO 0.11 0.00 0.09 -1.61 -0.54 0.00 0.00 174.62 172.66 1sbk s GLU 75 N -3.79 1.50 3.34 3.99 2.02 -1.26 -4.20 118.70 120.30 1sbk s GLU 75 Ca 0.30 -1.82 0.00 0.00 0.02 0.00 0.00 54.97 53.47 1sbk s GLU 75 Cb 0.08 -0.46 0.00 0.00 0.10 0.00 0.00 34.13 33.84 1sbk s GLU 75 CO 0.15 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.57 1sbk n GLY 76 N -0.55 2.68 0.44 -1.39 0.00 -1.26 -1.50 105.19 103.61 1sbk n GLY 76 Ca -0.01 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 1.57 -1.74 1.61 1.02 -1.26 -4.91 120.64 130.93 1sbk n GLU 77 Ca 0.00 -0.87 -0.35 0.00 -0.02 0.00 0.00 57.16 55.92 1sbk n GLU 77 Cb 0.00 -1.28 0.06 0.00 -0.02 0.00 0.00 31.44 30.20 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 -1.75 2.58 0.15 3.49 -0.21 -0.56 -4.28 119.66 119.08 1sbk s GLN 78 Ca 0.24 1.84 -0.01 0.00 0.02 0.00 0.00 55.36 57.44 1sbk s GLN 78 Cb 0.12 -1.88 -0.04 0.00 1.00 0.00 0.00 33.01 32.22 1sbk s GLN 78 CO 0.18 -1.51 0.08 0.15 -2.12 0.00 0.00 175.29 172.07 1sbk s LYS 79 N -3.58 1.01 -0.04 2.91 1.02 0.11 -4.78 119.74 116.39 1sbk s LYS 79 Ca 0.77 -1.49 0.06 0.00 0.02 0.00 0.00 55.97 55.33 1sbk s LYS 79 Cb -0.31 0.25 -0.01 0.00 -0.52 0.00 0.00 37.83 37.24 1sbk s LYS 79 CO 0.39 -0.30 -0.23 0.08 -0.92 0.00 0.00 175.35 174.37 1sbk s VAL 80 N -4.08 1.83 -0.03 3.17 1.01 -1.26 -1.08 120.40 119.96 1sbk s VAL 80 Ca 0.28 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1sbk s VAL 80 Cb 0.07 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 1sbk s VAL 80 CO 0.05 0.51 -0.16 -0.69 0.00 0.00 0.00 175.10 174.81 1sbk s VAL 81 N -0.24 1.29 0.07 2.92 1.01 -0.93 -4.99 120.40 119.54 1sbk s VAL 81 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 1sbk s VAL 81 Cb -0.12 -1.10 -0.06 0.00 0.00 0.00 0.00 36.38 35.10 1sbk s VAL 81 CO 0.02 0.37 1.18 -0.83 0.00 0.00 0.00 175.10 175.84 1sbk s GLY 82 N -0.09 2.48 -0.20 4.51 0.00 -1.26 -1.50 107.32 111.26 1sbk s GLY 82 Ca -0.00 0.83 -0.16 0.00 0.00 0.00 0.00 44.72 45.40 1sbk s GLY 82 CO 0.01 1.98 -0.28 1.04 0.00 0.00 0.00 173.10 175.85 1sbk n LEU 83 N 3.75 1.91 -3.85 0.66 4.77 0.93 -4.92 117.00 120.25 1sbk n LEU 83 Ca 0.08 0.39 -0.12 0.00 -0.03 0.00 0.00 56.01 56.33 1sbk n LEU 83 Cb 0.46 -0.80 -0.14 0.00 -2.33 0.00 0.00 43.42 40.62 1sbk n LEU 83 CO 0.55 -0.08 -0.33 -0.70 -1.33 0.00 0.00 177.39 175.50 1sbk s GLU 84 N -2.66 0.03 -0.02 3.23 -6.30 -1.07 -5.00 118.70 106.90 1sbk s GLU 84 Ca -0.29 0.05 0.04 0.00 -2.50 0.00 0.00 54.97 52.28 1sbk s GLU 84 Cb 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 34.13 34.18 1sbk s GLU 84 CO 0.42 -0.02 -0.14 -1.50 0.02 0.00 0.00 175.26 174.04 1sbk s ILE 85 N 0.11 1.15 -0.01 -3.70 1.10 -1.26 -0.69 121.20 117.90 1sbk s ILE 85 Ca -0.01 -0.60 -0.03 0.00 -0.51 0.00 0.00 60.65 59.51 1sbk s ILE 85 Cb -0.01 -0.98 0.00 0.00 0.15 0.00 0.00 42.46 41.62 1sbk s ILE 85 CO -0.00 0.33 0.06 0.54 -2.11 0.00 0.00 174.94 173.76 1sbk s ASN 86 N -0.15 0.00 -0.02 4.50 2.20 -0.99 -5.02 114.94 115.47 1sbk s ASN 86 Ca 0.02 -0.03 -0.09 0.00 -0.94 0.00 0.00 52.86 51.81 1sbk s ASN 86 Cb -0.08 0.14 0.01 0.00 -2.00 0.00 0.00 41.25 39.33 1sbk s ASN 86 CO 0.00 -0.13 0.20 0.00 -2.94 0.00 0.00 177.10 174.24 1sbk s ALA 87 N -0.46 -0.49 -0.23 3.54 0.00 -1.26 -1.32 121.76 121.54 1sbk s ALA 87 Ca -0.05 0.15 -0.03 0.00 0.00 0.00 0.00 51.96 52.03 1sbk s ALA 87 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.08 1sbk s ALA 87 CO 0.00 -0.20 -0.05 -0.80 0.00 0.00 0.00 175.76 174.71 1sbk s ASN 88 N -1.03 4.23 -0.42 0.00 -0.87 0.18 -4.97 114.94 112.06 1sbk s ASN 88 Ca -0.11 -0.52 -0.21 0.00 -1.57 0.00 0.00 52.86 50.45 1sbk s ASN 88 Cb -0.06 -1.71 0.02 0.00 -0.02 0.00 0.00 41.25 39.48 1sbk s ASN 88 CO 0.02 -0.05 0.65 -1.00 -2.57 0.00 0.00 177.10 174.16 1sbk s HIS 89 N 1.44 3.08 -0.05 2.20 3.76 -1.26 -1.78 115.29 122.67 1sbk s HIS 89 Ca 0.05 0.06 0.15 0.00 -0.15 0.00 0.00 55.06 55.17 1sbk s HIS 89 Cb -0.15 -3.33 -0.24 0.00 1.11 0.00 0.00 32.58 29.98 1sbk s HIS 89 CO -0.04 -0.82 0.35 1.33 -0.85 0.00 0.00 174.74 174.70 1sbk n VAL 90 N 5.82 0.00 -3.72 -0.90 0.24 -0.44 -5.01 118.33 114.32 1sbk n VAL 90 Ca -0.01 -0.34 -0.14 0.00 -2.04 0.00 0.00 64.34 61.81 1sbk n VAL 90 Cb 0.48 0.18 -0.09 0.00 -1.47 0.00 0.00 33.84 32.94 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 -3.04 0.57 -0.12 7.34 3.52 -0.97 -4.97 118.95 121.28 1sbk s ARG 91 Ca -0.05 0.45 -0.11 0.00 -0.13 0.00 0.00 55.73 55.89 1sbk s ARG 91 Cb 0.10 0.27 -0.05 0.00 -1.56 0.00 0.00 34.95 33.72 1sbk s ARG 91 CO 0.64 -0.10 0.23 -1.54 -0.81 0.00 0.00 175.30 173.71 1sbk s SER 92 N -0.13 6.45 -0.06 -2.12 1.04 -1.26 -4.61 113.70 113.00 1sbk s SER 92 Ca -0.03 0.53 -0.05 0.00 0.48 0.00 0.00 55.95 56.88 1sbk s SER 92 Cb -0.03 -2.13 -0.04 0.00 0.10 0.00 0.00 66.02 63.91 1sbk s SER 92 CO 0.02 0.28 0.16 0.00 0.98 0.00 0.00 173.24 174.68 1sbk s ALA 93 N -0.42 3.92 -0.06 5.32 0.00 -1.26 -4.93 121.76 124.32 1sbk s ALA 93 Ca 0.16 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.47 1sbk s ALA 93 Cb -0.13 -1.93 -0.08 0.00 0.00 0.00 0.00 23.12 20.98 1sbk s ALA 93 CO 0.05 0.68 0.03 0.54 0.00 0.00 0.00 175.76 177.06 1sbk n ARG 94 N 1.46 2.87 -2.04 0.00 1.74 -1.26 -0.14 116.66 119.30 1sbk n ARG 94 Ca -0.15 -0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.89 1sbk n ARG 94 Cb 0.54 -1.17 -0.00 0.00 -1.02 0.00 0.00 32.46 30.81 1sbk n ARG 94 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1sbk n GLU 95 N -2.23 0.21 0.00 5.56 0.28 -1.26 -4.85 120.64 118.35 1sbk n GLU 95 Ca -0.10 -0.67 0.00 0.00 -0.16 0.00 0.00 57.16 56.23 1sbk n GLU 95 Cb 0.70 0.69 0.00 0.00 1.43 0.00 0.00 31.44 34.26 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 -0.14 2.69 3.07 -1.84 0.00 -1.26 -4.61 105.19 103.09 1sbk n GLY 96 Ca -0.01 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 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 0.42 0.26 1.61 0.52 -1.26 -1.51 118.95 118.99 1sbk s ARG 97 Ca 0.00 -0.39 0.08 0.00 -0.52 0.00 0.00 55.73 54.90 1sbk s ARG 97 Cb 0.00 0.17 -0.04 0.00 0.52 0.00 0.00 34.95 35.61 1sbk s ARG 97 CO 0.00 -0.09 0.13 0.14 0.02 0.00 0.00 175.30 175.49 1sbk s VAL 98 N -1.27 4.11 -0.02 3.52 -7.23 -1.26 -3.47 120.40 114.76 1sbk s VAL 98 Ca -0.14 -1.58 0.01 0.00 -1.81 0.00 0.00 61.98 58.47 1sbk s VAL 98 Cb -0.07 -3.21 0.01 0.00 0.56 0.00 0.00 36.38 33.67 1sbk s VAL 98 CO 0.01 -0.36 -0.03 0.00 -0.31 0.00 0.00 175.10 174.41 1sbk s ARG 99 N -3.78 0.50 -0.14 4.82 1.70 -0.54 -4.35 118.95 117.17 1sbk s ARG 99 Ca 0.32 -0.07 -0.06 0.00 -0.47 0.00 0.00 55.73 55.45 1sbk s ARG 99 Cb -0.07 -0.55 -0.04 0.00 -0.57 0.00 0.00 34.95 33.71 1sbk s ARG 99 CO 0.23 -0.03 0.09 0.20 -1.08 0.00 0.00 175.30 174.71 1sbk s GLY 100 N 0.57 2.01 -0.24 3.88 0.00 0.15 -0.86 107.32 112.82 1sbk s GLY 100 Ca -0.06 -0.71 -0.03 0.00 0.00 0.00 0.00 44.72 43.91 1sbk s GLY 100 CO -0.01 -0.24 -0.04 0.14 0.00 0.00 0.00 173.10 172.96 1sbk s VAL 101 N -0.45 3.21 -0.19 1.40 1.01 0.13 -2.42 120.40 123.08 1sbk s VAL 101 Ca 0.11 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 1sbk s VAL 101 Cb -0.12 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1sbk s VAL 101 CO 0.02 0.29 0.06 0.00 0.00 0.00 0.00 175.10 175.47 1sbk s LYS 103 N 0.62 0.31 0.28 0.00 2.20 0.09 -1.62 119.74 121.62 1sbk s LYS 103 Ca 0.03 -0.53 -0.25 0.00 -0.36 0.00 0.00 55.97 54.86 1sbk s LYS 103 Cb -0.13 -0.01 -0.09 0.00 -1.51 0.00 0.00 37.83 36.09 1sbk s LYS 103 CO 0.01 -0.02 0.87 -1.25 -0.36 0.00 0.00 175.35 174.61 1sbk s PRO 104 N -1.21 4.52 -0.04 4.03 0.04 -1.26 -0.22 135.00 140.86 1sbk s PRO 104 Ca -0.12 1.20 0.10 0.00 0.04 0.00 0.00 61.00 62.22 1sbk s PRO 104 Cb -0.08 -2.90 -0.14 0.00 0.04 0.00 0.00 34.50 31.42 1sbk s PRO 104 CO -0.01 0.35 0.15 1.28 0.04 0.00 0.00 177.00 178.82 1sbk n LEU 105 N 0.76 0.00 -3.64 -3.56 4.77 0.47 -4.86 117.00 110.94 1sbk n LEU 105 Ca -0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.91 1sbk n LEU 105 Cb 0.50 0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.61 1sbk n LEU 105 CO 0.45 0.08 0.36 -2.28 -1.33 0.00 0.00 177.39 174.67 1sbk s HIS 106 N -2.53 -1.06 -0.58 -1.77 5.04 -0.91 -4.93 115.29 108.54 1sbk s HIS 106 Ca -0.04 2.10 0.04 0.00 -1.54 0.00 0.00 55.06 55.62 1sbk s HIS 106 Cb 0.05 0.63 0.16 0.00 0.04 0.00 0.00 32.58 33.47 1sbk s HIS 106 CO 0.41 -0.53 0.41 -0.51 -2.34 0.00 0.00 174.74 172.18 1sbk s LEU 107 N 1.70 3.64 0.00 8.88 1.43 -1.26 -1.16 118.68 131.91 1sbk s LEU 107 Ca -0.10 -3.44 0.00 0.00 -1.03 0.00 0.00 54.13 49.57 1sbk s LEU 107 Cb -0.05 -1.25 0.06 0.00 0.03 0.00 0.00 46.19 44.97 1sbk s LEU 107 CO -0.20 -0.14 0.42 0.61 0.23 0.00 0.00 176.35 177.28 1sbk n GLY 108 N 2.47 0.81 0.08 -3.19 0.00 1.00 -5.02 105.19 101.33 1sbk n GLY 108 Ca 0.20 -2.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.23 0.16 0.00 1.61 0.02 -2.00 -3.38 113.55 109.72 1sbk h SER 109 Ca -0.14 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1sbk h SER 109 Cb 0.52 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 1sbk h SER 109 CO 0.15 1.13 -1.10 0.54 -1.14 0.00 0.00 176.83 176.42 1sbk n ARG 110 N -3.42 0.21 -4.14 3.45 1.74 -1.26 -4.76 116.66 108.49 1sbk n ARG 110 Ca -0.03 -0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 56.90 1sbk n ARG 110 Cb 0.97 -1.05 -0.11 0.00 -1.02 0.00 0.00 32.46 31.25 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 -2.15 0.87 0.02 -1.55 3.76 -1.26 -0.53 115.29 114.45 1sbk s HIS 111 Ca -0.01 -0.71 0.01 0.00 -0.15 0.00 0.00 55.06 54.20 1sbk s HIS 111 Cb 0.01 -0.50 -0.02 0.00 1.11 0.00 0.00 32.58 33.19 1sbk s HIS 111 CO 0.09 -0.09 -0.04 -0.65 -0.85 0.00 0.00 174.74 173.20 1sbk s GLN 112 N -2.81 0.34 -0.09 1.40 -0.21 -0.77 -0.00 119.66 117.51 1sbk s GLN 112 Ca 0.03 -0.57 -0.01 0.00 0.02 0.00 0.00 55.36 54.83 1sbk s GLN 112 Cb -0.02 -0.02 0.03 0.00 1.00 0.00 0.00 33.01 34.00 1sbk s GLN 112 CO -0.02 -0.01 -0.03 0.08 -2.12 0.00 0.00 175.29 173.19 1sbk s VAL 113 N -1.24 0.61 -0.06 1.09 1.01 -0.31 0.04 120.40 121.54 1sbk s VAL 113 Ca -0.12 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 61.87 1sbk s VAL 113 Cb -0.09 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 1sbk s VAL 113 CO -0.01 0.30 -0.18 0.26 0.00 0.00 0.00 175.10 175.47 1sbk s TRP 114 N 1.88 2.61 -0.19 5.22 0.52 0.11 -0.40 118.94 128.69 1sbk s TRP 114 Ca 0.05 -0.37 -0.06 0.00 0.02 0.00 0.00 56.10 55.74 1sbk s TRP 114 Cb -0.12 -1.63 -0.03 0.00 -1.15 0.00 0.00 33.47 30.53 1sbk s TRP 114 CO -0.06 0.02 0.02 -1.14 0.02 0.00 0.00 176.95 175.81 1sbk s GLN 115 N -0.46 3.76 -0.14 4.98 0.74 0.70 0.17 119.66 129.41 1sbk s GLN 115 Ca 0.06 -0.45 0.00 0.00 0.05 0.00 0.00 55.36 55.02 1sbk s GLN 115 Cb -0.12 -3.13 0.02 0.00 1.10 0.00 0.00 33.01 30.89 1sbk s GLN 115 CO 0.01 0.12 -0.13 0.42 -0.55 0.00 0.00 175.29 175.16 1sbk s ILE 116 N 0.73 1.49 -0.12 -2.34 1.09 0.04 -0.73 121.20 121.36 1sbk s ILE 116 Ca 0.01 -0.59 -0.01 0.00 -1.10 0.00 0.00 60.65 58.96 1sbk s ILE 116 Cb -0.14 -1.40 -0.03 0.00 -1.06 0.00 0.00 42.46 39.84 1sbk s ILE 116 CO 0.02 0.44 -0.06 -1.61 -0.10 0.00 0.00 174.94 173.63 1sbk s GLU 117 N 1.42 3.27 -0.15 2.79 0.41 -0.45 -1.09 118.70 124.90 1sbk s GLU 117 Ca 0.03 -0.55 -0.01 0.00 -0.41 0.00 0.00 54.97 54.03 1sbk s GLU 117 Cb -0.13 -2.75 -0.01 0.00 -1.78 0.00 0.00 34.13 29.46 1sbk s GLU 117 CO -0.09 0.41 -0.12 0.42 -0.49 0.00 0.00 175.26 175.39 1sbk s ILE 118 N -0.11 3.09 0.22 -1.63 1.01 0.25 0.20 121.20 124.22 1sbk s ILE 118 Ca 0.01 -0.64 0.10 0.00 0.00 0.00 0.00 60.65 60.13 1sbk s ILE 118 Cb -0.13 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 1sbk s ILE 118 CO 0.03 0.51 -0.15 -0.36 0.00 0.00 0.00 174.94 174.96 1sbk s PHE 119 N 0.56 2.46 0.78 3.97 0.40 -0.04 -0.19 117.98 125.91 1sbk s PHE 119 Ca -0.08 -0.29 -0.05 0.00 -0.60 0.00 0.00 56.93 55.91 1sbk s PHE 119 Cb -0.15 -1.16 0.14 0.00 0.51 0.00 0.00 43.02 42.35 1sbk s PHE 119 CO 0.03 0.57 1.07 0.16 0.70 0.00 0.00 175.22 177.75 1sbk s ASP 120 N -3.03 4.09 0.15 1.36 1.47 -0.34 -1.47 116.67 118.91 1sbk s ASP 120 Ca 0.25 -0.13 0.10 0.00 1.18 0.00 0.00 52.55 53.95 1sbk s ASP 120 Cb -0.07 -0.19 0.54 0.00 -0.34 0.00 0.00 42.92 42.85 1sbk s ASP 120 CO 0.14 -2.05 1.29 -0.62 0.68 0.00 0.00 175.17 174.61 1sbk n GLU 121 N -3.06 0.06 -0.24 2.11 1.02 -1.23 -0.90 120.64 118.40 1sbk n GLU 121 Ca 0.14 0.56 0.11 0.00 -0.02 0.00 0.00 57.16 57.95 1sbk n GLU 121 Cb 0.60 -1.73 0.24 0.00 -0.02 0.00 0.00 31.44 30.54 1sbk n GLU 121 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1sbk n LYS 122 N -1.84 2.54 -0.85 3.49 5.02 -1.26 -4.94 118.16 120.32 1sbk n LYS 122 Ca -0.01 -2.36 0.00 0.00 -2.02 0.00 0.00 58.31 53.93 1sbk n LYS 122 Cb 0.03 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 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 1.43 0.55 3.77 0.72 0.00 -0.08 -5.04 105.19 106.54 1sbk n GLY 123 Ca 0.20 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.56 4.27 0.19 1.61 0.52 -1.26 -4.81 118.95 118.92 1sbk s ARG 124 Ca 0.00 0.64 -0.31 0.00 -0.52 0.00 0.00 55.73 55.54 1sbk s ARG 124 Cb 0.00 -3.34 -0.11 0.00 0.52 0.00 0.00 34.95 32.02 1sbk s ARG 124 CO 0.00 0.38 1.60 -1.17 0.02 0.00 0.00 175.30 176.13 1sbk s LEU 125 N -0.18 4.37 -0.06 2.53 2.96 -1.26 -1.19 118.68 125.84 1sbk s LEU 125 Ca 0.29 2.69 0.04 0.00 -0.22 0.00 0.00 54.13 56.93 1sbk s LEU 125 Cb -0.17 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.86 1sbk s LEU 125 CO 0.16 -0.86 -0.01 0.00 -1.32 0.00 0.00 176.35 174.32 1sbk s SER 128 N 0.68 2.69 0.19 0.00 0.15 -0.74 -0.59 113.70 116.09 1sbk s SER 128 Ca -0.03 -0.49 0.02 0.00 0.70 0.00 0.00 55.95 56.15 1sbk s SER 128 Cb -0.05 -1.18 -0.05 0.00 -1.71 0.00 0.00 66.02 63.04 1sbk s SER 128 CO -0.05 -0.06 0.00 -0.94 1.20 0.00 0.00 173.24 173.40 1sbk s SER 129 N 1.49 1.39 -0.05 5.45 1.04 -0.25 -0.65 113.70 122.12 1sbk s SER 129 Ca 0.05 -1.20 0.01 0.00 0.48 0.00 0.00 55.95 55.29 1sbk s SER 129 Cb -0.13 0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.10 1sbk s SER 129 CO -0.11 -0.56 -0.05 -0.13 0.98 0.00 0.00 173.24 173.38 1sbk s ARG 130 N -3.91 0.90 -0.15 4.02 3.00 -0.44 -0.78 118.95 121.60 1sbk s ARG 130 Ca 0.26 -0.12 -0.02 0.00 0.00 0.00 0.00 55.73 55.85 1sbk s ARG 130 Cb 0.06 -0.90 -0.02 0.00 0.00 0.00 0.00 34.95 34.09 1sbk s ARG 130 CO 0.06 -0.08 -0.08 -1.17 0.00 0.00 0.00 175.30 174.02 1sbk s LEU 131 N 0.95 2.94 -0.17 2.53 2.96 0.13 -2.35 118.68 125.67 1sbk s LEU 131 Ca -0.11 -0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 53.49 1sbk s LEU 131 Cb -0.14 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 1sbk s LEU 131 CO 0.00 0.14 0.03 -0.89 -1.32 0.00 0.00 176.35 174.31 1sbk s THR 132 N 0.49 4.47 0.31 3.68 2.01 0.14 0.08 115.64 126.82 1sbk s THR 132 Ca -0.06 -0.15 0.10 0.00 0.31 0.00 0.00 61.69 61.88 1sbk s THR 132 Cb -0.15 -3.00 -0.06 0.00 0.01 0.00 0.00 72.50 69.30 1sbk s THR 132 CO 0.04 0.47 -0.12 0.42 -0.69 0.00 0.00 174.62 174.74 1sbk s THR 133 N 0.37 2.19 -0.06 -0.82 -4.23 0.11 -0.05 115.64 113.15 1sbk s THR 133 Ca 0.01 -2.25 0.04 0.00 -1.18 0.00 0.00 61.69 58.31 1sbk s THR 133 Cb -0.13 -2.50 -0.00 0.00 1.34 0.00 0.00 72.50 71.21 1sbk s THR 133 CO 0.01 -0.29 -0.20 0.00 -0.54 0.00 0.00 174.62 173.60 1sbk s ALA 134 N -2.66 1.81 -0.23 3.99 0.00 -0.56 -1.85 121.76 122.25 1sbk s ALA 134 Ca 0.31 -0.81 -0.19 0.00 0.00 0.00 0.00 51.96 51.27 1sbk s ALA 134 Cb 0.01 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 1sbk s ALA 134 CO 0.15 0.29 0.57 0.42 0.00 0.00 0.00 175.76 177.19 1sbk s ILE 135 N 0.16 5.04 0.20 0.00 1.01 0.31 -2.18 121.20 125.74 1sbk s ILE 135 Ca -0.09 1.03 0.10 0.00 0.00 0.00 0.00 60.65 61.69 1sbk s ILE 135 Cb -0.14 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1sbk s ILE 135 CO 0.05 0.10 -0.19 -0.76 0.00 0.00 0.00 174.94 174.13 1sbk s LEU 136 N 2.12 2.48 -0.46 2.97 1.43 -0.24 -4.83 118.68 122.15 1sbk s LEU 136 Ca 0.25 -0.92 0.03 0.00 -1.03 0.00 0.00 54.13 52.46 1sbk s LEU 136 Cb -0.16 -0.93 0.15 0.00 0.03 0.00 0.00 46.19 45.28 1sbk s LEU 136 CO 0.09 -0.01 0.29 -0.22 0.23 0.00 0.00 176.35 176.73 1sbk s LEU 137 N -2.92 2.52 0.00 1.79 1.98 -1.26 0.04 118.68 120.82 1sbk s LEU 137 Ca 0.20 -2.83 0.00 0.00 -2.89 0.00 0.00 54.13 48.62 1sbk s LEU 137 Cb -0.05 -0.92 0.00 0.00 0.66 0.00 0.00 46.19 45.88 1sbk s LEU 137 CO 0.09 -0.23 0.00 1.21 -1.89 0.00 0.00 176.35 175.53