#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sce s PRO 7 N 0.00 2.89 -0.59 5.55 0.04 -1.26 -5.00 135.00 136.64 1sce s PRO 7 Ca 0.00 2.07 -0.16 0.00 0.04 0.00 0.00 61.00 62.95 1sce s PRO 7 Cb 0.00 -2.03 0.15 0.00 0.04 0.00 0.00 34.50 32.65 1sce s PRO 7 CO 0.00 -1.34 0.54 1.03 0.04 0.00 0.00 177.00 177.28 1sce s ARG 8 N -3.17 3.09 0.45 4.56 0.52 -1.26 -5.05 118.95 118.09 1sce s ARG 8 Ca 0.77 -1.84 -0.24 0.00 -0.52 0.00 0.00 55.73 53.90 1sce s ARG 8 Cb -0.37 -4.32 -0.07 0.00 0.52 0.00 0.00 34.95 30.71 1sce s ARG 8 CO 0.41 -1.32 1.26 -0.51 0.02 0.00 0.00 175.30 175.16 1sce s LEU 9 N 1.35 4.07 0.83 2.53 1.02 -1.26 -4.94 118.68 122.29 1sce s LEU 9 Ca 0.06 2.54 -0.12 0.00 0.02 0.00 0.00 54.13 56.63 1sce s LEU 9 Cb -0.27 -4.10 0.09 0.00 0.02 0.00 0.00 46.19 41.93 1sce s LEU 9 CO 0.01 -1.01 1.10 -0.76 0.02 0.00 0.00 176.35 175.71 1sce s LEU 10 N -2.85 2.49 0.04 1.79 1.02 -1.26 -5.06 118.68 114.85 1sce s LEU 10 Ca 0.62 1.34 0.01 0.00 0.02 0.00 0.00 54.13 56.12 1sce s LEU 10 Cb -0.35 -3.89 -0.04 0.00 0.02 0.00 0.00 46.19 41.93 1sce s LEU 10 CO 0.43 -2.16 0.14 -0.89 0.02 0.00 0.00 176.35 173.89 1sce s THR 11 N -3.10 4.98 0.54 5.49 2.01 -1.26 -4.94 115.64 119.36 1sce s THR 11 Ca 0.62 -0.49 0.29 0.00 0.31 0.00 0.00 61.69 62.42 1sce s THR 11 Cb -0.15 -3.38 0.44 0.00 0.01 0.00 0.00 72.50 69.42 1sce s THR 11 CO 0.55 0.20 1.93 0.00 -0.69 0.00 0.00 174.62 176.61 1sce h ALA 12 N 3.45 2.64 -0.00 7.40 0.00 -1.99 0.15 119.26 130.91 1sce h ALA 12 Ca -0.47 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 1sce h ALA 12 Cb 1.17 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1sce h ALA 12 CO 0.69 -0.88 -0.91 0.77 0.00 0.00 0.00 179.25 178.92 1sce h SER 13 N 0.00 0.41 -0.01 0.00 0.02 -2.00 -2.79 113.55 109.18 1sce h SER 13 Ca 0.33 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1sce h SER 13 Cb 1.38 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1sce h SER 13 CO -0.00 1.12 -0.13 -0.33 -1.14 0.00 0.00 176.83 176.35 1sce h GLU 14 N 0.18 0.10 -0.88 3.45 5.08 -1.22 -3.20 114.58 118.09 1sce h GLU 14 Ca -0.06 -0.10 0.13 0.00 -1.00 0.00 0.00 59.36 58.33 1sce h GLU 14 Cb 1.54 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.74 1sce h GLU 14 CO 0.15 0.82 0.57 -0.09 -1.00 0.00 0.00 179.01 179.45 1sce h ARG 15 N -0.58 0.70 -0.09 2.33 9.65 -0.95 -0.56 114.38 124.88 1sce h ARG 15 Ca -0.01 -0.04 -0.09 0.00 -1.10 0.00 0.00 59.98 58.73 1sce h ARG 15 Cb 0.85 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.26 1sce h ARG 15 CO 0.03 0.46 -0.35 1.49 2.80 0.00 0.00 179.97 184.40 1sce h GLU 16 N 0.72 0.19 0.00 0.20 4.81 -1.57 -2.71 114.58 116.22 1sce h GLU 16 Ca 0.43 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.55 1sce h GLU 16 Cb 0.65 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1sce h GLU 16 CO -0.20 0.52 -0.20 -0.09 -0.73 0.00 0.00 179.01 178.32 1sce h ARG 17 N 0.16 0.00 0.00 1.92 2.43 -1.09 -2.96 114.38 114.85 1sce h ARG 17 Ca 0.02 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1sce h ARG 17 Cb 0.70 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1sce h ARG 17 CO 0.05 0.20 -1.13 1.28 -1.51 0.00 0.00 179.97 178.86 1sce n LEU 18 N -3.52 0.84 -0.32 3.80 4.77 -1.04 -4.55 117.00 116.98 1sce n LEU 18 Ca -0.01 0.34 0.12 0.00 -0.03 0.00 0.00 56.01 56.43 1sce n LEU 18 Cb 0.35 -0.02 0.24 0.00 -2.33 0.00 0.00 43.42 41.66 1sce n LEU 18 CO 0.32 -0.09 0.70 -0.62 -1.33 0.00 0.00 177.39 176.37 1sce n GLU 19 N -2.73 -0.07 0.03 3.23 1.02 -1.12 -1.29 120.64 119.72 1sce n GLU 19 Ca -0.03 1.38 0.08 0.00 -0.02 0.00 0.00 57.16 58.57 1sce n GLU 19 Cb 0.63 -2.16 0.34 0.00 -0.02 0.00 0.00 31.44 30.23 1sce n GLU 19 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1sce n PRO 20 N -5.37 0.05 0.07 3.49 -0.04 -1.26 -3.27 135.00 128.67 1sce n PRO 20 Ca 0.20 0.32 0.11 0.00 -0.04 0.00 0.00 63.50 64.09 1sce n PRO 20 Cb 0.65 -1.60 -0.01 0.00 -0.04 0.00 0.00 33.50 32.50 1sce n PRO 20 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1sce n PHE 21 N -1.69 0.66 -0.38 0.54 3.72 -0.41 -4.44 117.46 115.47 1sce n PHE 21 Ca 0.03 0.19 0.29 0.00 -0.05 0.00 0.00 57.45 57.91 1sce n PHE 21 Cb 0.17 -0.77 0.56 0.00 -0.94 0.00 0.00 39.48 38.49 1sce n PHE 21 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1sce h ILE 22 N 0.00 0.30 0.00 4.37 1.08 -1.66 -0.16 117.51 121.44 1sce h ILE 22 Ca 0.00 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1sce h ILE 22 Cb 0.94 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.72 1sce h ILE 22 CO 0.00 0.04 0.00 -0.90 -0.69 0.00 0.00 178.15 176.60 1sce n ASP 23 N -4.76 0.55 -0.74 1.72 5.75 -1.26 -3.61 116.55 114.19 1sce n ASP 23 Ca 0.32 0.57 0.08 0.00 -0.01 0.00 0.00 54.79 55.75 1sce n ASP 23 Cb 1.14 -0.71 0.13 0.00 -1.03 0.00 0.00 41.12 40.64 1sce n ASP 23 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sce n GLN 24 N -2.04 1.89 -2.23 0.11 3.00 -0.08 -4.96 117.38 113.07 1sce n GLN 24 Ca 0.05 -1.80 -0.42 0.00 -0.01 0.00 0.00 57.00 54.82 1sce n GLN 24 Cb 0.35 -1.33 -0.03 0.00 0.00 0.00 0.00 30.24 29.23 1sce n GLN 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1sce s ILE 25 N -1.17 3.79 0.08 5.09 1.01 -1.22 -4.55 121.20 124.24 1sce s ILE 25 Ca 0.24 1.13 0.01 0.00 0.00 0.00 0.00 60.65 62.03 1sce s ILE 25 Cb 0.15 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1sce s ILE 25 CO 0.21 -0.03 0.20 -1.00 0.00 0.00 0.00 174.94 174.31 1sce s HIS 26 N 2.74 3.44 0.01 3.97 3.76 -0.18 -4.97 115.29 124.07 1sce s HIS 26 Ca 0.63 0.19 0.08 0.00 -0.15 0.00 0.00 55.06 55.81 1sce s HIS 26 Cb -0.30 -1.71 -0.02 0.00 1.11 0.00 0.00 32.58 31.66 1sce s HIS 26 CO 0.25 0.56 -0.24 0.71 -0.85 0.00 0.00 174.74 175.17 1sce s TYR 27 N -1.54 2.14 0.49 1.40 2.02 -1.26 -0.65 117.35 119.95 1sce s TYR 27 Ca 0.34 -0.40 0.06 0.00 -0.37 0.00 0.00 57.07 56.69 1sce s TYR 27 Cb -0.12 -1.33 0.03 0.00 -0.40 0.00 0.00 41.96 40.14 1sce s TYR 27 CO 0.27 0.04 0.67 -1.54 -1.57 0.00 0.00 175.55 173.42 1sce s SER 28 N -0.90 5.43 1.06 2.29 1.04 -0.85 -4.99 113.70 116.77 1sce s SER 28 Ca 0.10 -0.33 -0.13 0.00 0.48 0.00 0.00 55.95 56.07 1sce s SER 28 Cb -0.09 -0.60 0.22 0.00 0.10 0.00 0.00 66.02 65.65 1sce s SER 28 CO 0.01 -0.99 1.07 -2.84 0.98 0.00 0.00 173.24 171.47 1sce s PRO 29 N -4.54 -0.06 -0.25 4.02 0.02 -1.26 -4.80 135.00 128.13 1sce s PRO 29 Ca 0.57 0.62 -0.17 0.00 0.02 0.00 0.00 61.00 62.05 1sce s PRO 29 Cb -0.09 -1.67 -0.03 0.00 0.02 0.00 0.00 34.50 32.72 1sce s PRO 29 CO 0.36 -3.09 0.44 0.50 -0.33 0.00 0.00 177.00 174.89 1sce s ARG 30 N -4.79 4.08 0.20 5.54 3.52 -1.26 -4.63 118.95 121.61 1sce s ARG 30 Ca 0.66 0.21 0.06 0.00 -0.13 0.00 0.00 55.73 56.54 1sce s ARG 30 Cb -0.21 -3.62 -0.04 0.00 -1.56 0.00 0.00 34.95 29.52 1sce s ARG 30 CO 0.60 -0.25 0.13 0.71 -0.81 0.00 0.00 175.30 175.68 1sce s TYR 31 N 1.97 3.07 0.20 5.12 2.02 -0.10 -4.94 117.35 124.70 1sce s TYR 31 Ca 0.19 -0.07 -0.04 0.00 -0.37 0.00 0.00 57.07 56.78 1sce s TYR 31 Cb -0.15 -1.44 -0.03 0.00 -0.40 0.00 0.00 41.96 39.93 1sce s TYR 31 CO 0.09 0.53 0.21 0.00 -1.57 0.00 0.00 175.55 174.81 1sce s ALA 32 N -1.90 0.78 0.00 3.71 0.00 -1.26 0.68 121.76 123.77 1sce s ALA 32 Ca 0.31 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1sce s ALA 32 Cb -0.09 1.26 0.00 0.00 0.00 0.00 0.00 23.12 24.29 1sce s ALA 32 CO 0.23 -0.64 0.00 -0.40 0.00 0.00 0.00 175.76 174.95 1sce n ASP 33 N -0.28 0.00 -0.37 0.00 5.75 -0.53 -4.97 116.55 116.15 1sce n ASP 33 Ca 0.00 -0.33 0.02 0.00 -0.01 0.00 0.00 54.79 54.47 1sce n ASP 33 Cb 0.65 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.82 1sce n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1sce n ASP 34 N -0.73 -0.53 -0.28 -1.12 5.75 -1.26 -3.74 116.55 114.64 1sce n ASP 34 Ca 0.00 1.72 0.00 0.00 -0.01 0.00 0.00 54.79 56.50 1sce n ASP 34 Cb 0.00 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 1sce n ASP 34 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1sce n GLU 35 N -5.52 0.11 -3.93 0.11 0.28 -1.26 -5.10 120.64 105.33 1sce n GLU 35 Ca 0.12 -0.87 -0.09 0.00 -0.16 0.00 0.00 57.16 56.16 1sce n GLU 35 Cb 0.44 -0.55 -0.10 0.00 1.43 0.00 0.00 31.44 32.66 1sce n GLU 35 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1sce s TYR 36 N -0.12 0.20 -0.04 -1.84 1.51 -1.25 -5.15 117.35 110.66 1sce s TYR 36 Ca 0.01 -0.48 0.02 0.00 -1.01 0.00 0.00 57.07 55.61 1sce s TYR 36 Cb 0.01 -0.15 -0.03 0.00 -0.11 0.00 0.00 41.96 41.68 1sce s TYR 36 CO 0.00 -0.33 -0.08 -1.21 -1.11 0.00 0.00 175.55 172.82 1sce s GLU 37 N -2.35 2.65 0.08 -0.62 2.02 -1.26 -1.45 118.70 117.77 1sce s GLU 37 Ca -0.07 -0.62 0.06 0.00 0.02 0.00 0.00 54.97 54.36 1sce s GLU 37 Cb -0.03 -2.53 -0.03 0.00 0.10 0.00 0.00 34.13 31.64 1sce s GLU 37 CO -0.03 0.64 -0.17 0.71 0.02 0.00 0.00 175.26 176.43 1sce s TYR 38 N -0.85 1.45 -0.15 1.61 2.02 0.22 -4.97 117.35 116.68 1sce s TYR 38 Ca 0.14 -0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 56.10 1sce s TYR 38 Cb -0.11 -0.81 0.11 0.00 -0.40 0.00 0.00 41.96 40.76 1sce s TYR 38 CO 0.03 0.12 0.92 -0.98 -1.57 0.00 0.00 175.55 174.06 1sce s ARG 39 N -1.79 0.70 0.21 -0.62 1.04 -1.26 -0.93 118.95 116.31 1sce s ARG 39 Ca 0.01 0.25 0.09 0.00 -1.04 0.00 0.00 55.73 55.05 1sce s ARG 39 Cb -0.10 0.33 -0.05 0.00 -2.04 0.00 0.00 34.95 33.10 1sce s ARG 39 CO 0.03 -0.20 -0.18 -3.38 -0.04 0.00 0.00 175.30 171.53 1sce s HIS 40 N -0.92 1.95 -0.10 5.89 -3.43 -1.26 -5.03 115.29 112.39 1sce s HIS 40 Ca -0.03 -0.46 0.04 0.00 -0.80 0.00 0.00 55.06 53.81 1sce s HIS 40 Cb -0.01 -0.91 0.00 0.00 -1.43 0.00 0.00 32.58 30.23 1sce s HIS 40 CO 0.03 0.46 -0.23 0.08 -2.00 0.00 0.00 174.74 173.07 1sce s VAL 41 N -2.46 2.02 -0.37 -5.38 1.01 -1.26 -2.01 120.40 111.94 1sce s VAL 41 Ca 0.22 -1.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 1sce s VAL 41 Cb -0.04 -1.75 0.04 0.00 0.00 0.00 0.00 36.38 34.63 1sce s VAL 41 CO 0.09 0.55 0.19 -0.04 0.00 0.00 0.00 175.10 175.89 1sce s MET 42 N 0.36 2.72 0.53 2.72 -1.94 0.18 -4.99 119.30 118.88 1sce s MET 42 Ca -0.19 -1.18 -0.12 0.00 -1.71 0.00 0.00 55.69 52.49 1sce s MET 42 Cb -0.18 -3.66 -0.06 0.00 2.01 0.00 0.00 34.83 32.94 1sce s MET 42 CO 0.09 -0.74 0.95 -0.51 -0.01 0.00 0.00 175.02 174.80 1sce s LEU 43 N 1.49 3.51 0.00 -0.03 1.43 -1.26 -1.00 118.68 122.81 1sce s LEU 43 Ca 0.01 1.39 -0.30 0.00 -1.03 0.00 0.00 54.13 54.19 1sce s LEU 43 Cb -0.20 -4.36 -0.04 0.00 0.03 0.00 0.00 46.19 41.62 1sce s LEU 43 CO 0.05 -0.66 1.15 -2.84 0.23 0.00 0.00 176.35 174.28 1sce s PRO 44 N -4.51 4.43 0.29 1.29 0.02 -1.26 -4.92 135.00 130.33 1sce s PRO 44 Ca 0.55 1.66 0.01 0.00 0.02 0.00 0.00 61.00 63.24 1sce s PRO 44 Cb -0.10 -3.45 0.69 0.00 0.02 0.00 0.00 34.50 31.66 1sce s PRO 44 CO 0.41 -0.29 1.64 0.87 -0.33 0.00 0.00 177.00 179.30 1sce h LYS 45 N 7.05 0.19 -0.19 5.54 1.57 -1.98 0.77 116.57 129.50 1sce h LYS 45 Ca -0.38 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.44 1sce h LYS 45 Cb 1.19 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1sce h LYS 45 CO 0.83 0.12 0.18 0.00 -0.57 0.00 0.00 179.45 180.01 1sce h ALA 46 N 1.78 1.94 -0.21 3.86 0.00 -2.04 -1.44 119.26 123.15 1sce h ALA 46 Ca 0.54 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.36 1sce h ALA 46 Cb 1.09 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1sce h ALA 46 CO -0.66 -0.28 -0.24 1.98 0.00 0.00 0.00 179.25 180.05 1sce h MET 47 N 0.00 0.39 -0.74 0.00 1.85 -1.23 -3.02 114.93 112.18 1sce h MET 47 Ca 0.09 -0.13 0.21 0.00 -0.61 0.00 0.00 59.70 59.25 1sce h MET 47 Cb 0.45 -0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.42 1sce h MET 47 CO -0.00 0.60 0.53 -0.07 -0.40 0.00 0.00 176.91 177.57 1sce h LEU 48 N 0.35 0.06 -1.66 3.39 3.38 -1.34 0.31 115.31 119.79 1sce h LEU 48 Ca 0.05 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1sce h LEU 48 Cb 0.61 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1sce h LEU 48 CO 0.04 0.03 -0.01 0.11 0.09 0.00 0.00 178.44 178.70 1sce h LYS 49 N 0.06 0.00 0.00 1.13 1.57 -1.70 -3.04 116.57 114.59 1sce h LYS 49 Ca 0.36 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.05 1sce h LYS 49 Cb 1.33 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.62 1sce h LYS 49 CO -0.03 0.01 -1.38 0.00 -0.57 0.00 0.00 179.45 177.49 1sce n ALA 50 N -2.10 2.27 -2.04 3.86 0.00 0.11 -4.93 120.51 117.68 1sce n ALA 50 Ca 0.00 -0.45 -0.42 0.00 0.00 0.00 0.00 53.44 52.57 1sce n ALA 50 Cb 0.28 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 1sce n ALA 50 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sce s ILE 51 N -3.17 3.17 0.36 0.00 1.01 -1.13 -4.92 121.20 116.54 1sce s ILE 51 Ca -0.03 0.92 -0.27 0.00 0.00 0.00 0.00 60.65 61.28 1sce s ILE 51 Cb 0.10 -3.59 -0.12 0.00 0.01 0.00 0.00 42.46 38.86 1sce s ILE 51 CO 0.82 0.12 1.14 -2.65 0.00 0.00 0.00 174.94 174.36 1sce n PRO 52 N 3.02 1.68 -0.27 2.79 -0.02 -1.26 -4.91 135.00 136.04 1sce n PRO 52 Ca 0.08 0.59 0.07 0.00 -2.02 0.00 0.00 63.50 62.23 1sce n PRO 52 Cb 0.42 -2.13 0.21 0.00 -0.02 0.00 0.00 33.50 31.99 1sce n PRO 52 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1sce h THR 53 N 2.06 0.57 0.00 3.45 1.35 -1.97 -0.72 112.91 117.65 1sce h THR 53 Ca -0.44 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1sce h THR 53 Cb 1.31 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1sce h THR 53 CO 0.60 0.07 0.00 -0.90 -0.25 0.00 0.00 175.52 175.04 1sce n ASP 54 N -5.06 0.00 -0.06 5.36 5.75 -1.26 -1.63 116.55 119.66 1sce n ASP 54 Ca 0.16 -0.06 0.12 0.00 -0.01 0.00 0.00 54.79 55.00 1sce n ASP 54 Cb 0.48 -0.19 0.28 0.00 -1.03 0.00 0.00 41.12 40.66 1sce n ASP 54 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1sce n TYR 55 N -1.19 0.00 -2.75 2.11 4.01 -0.28 -4.93 117.16 114.15 1sce n TYR 55 Ca 0.07 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.61 1sce n TYR 55 Cb 0.08 -0.22 0.03 0.00 -0.31 0.00 0.00 39.34 38.92 1sce n TYR 55 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1sce s PHE 56 N -2.89 2.85 -0.24 -0.72 0.08 -0.64 -1.29 117.98 115.13 1sce s PHE 56 Ca 0.14 -0.12 0.01 0.00 0.12 0.00 0.00 56.93 57.08 1sce s PHE 56 Cb 0.18 -2.65 0.04 0.00 -0.57 0.00 0.00 43.02 40.02 1sce s PHE 56 CO 0.66 -0.74 -0.12 1.21 -0.10 0.00 0.00 175.22 176.13 1sce s ASN 57 N -4.40 4.09 0.05 1.36 3.84 0.24 -4.32 114.94 115.79 1sce s ASN 57 Ca 0.57 -1.07 0.19 0.00 0.21 0.00 0.00 52.86 52.75 1sce s ASN 57 Cb -0.10 -1.57 0.79 0.00 -0.55 0.00 0.00 41.25 39.82 1sce s ASN 57 CO 0.37 -0.13 1.60 -0.81 -2.79 0.00 0.00 177.10 175.34 1sce n PRO 58 N 4.55 0.04 0.15 0.43 -0.04 -1.26 0.13 135.00 138.99 1sce n PRO 58 Ca -0.16 0.23 0.05 0.00 -0.04 0.00 0.00 63.50 63.58 1sce n PRO 58 Cb 0.45 -1.57 0.05 0.00 -0.04 0.00 0.00 33.50 32.39 1sce n PRO 58 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1sce h GLU 59 N 0.00 0.00 0.00 0.54 4.81 -1.94 -3.41 114.58 114.58 1sce h GLU 59 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1sce h GLU 59 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1sce h GLU 59 CO 0.00 0.32 -0.20 0.25 -0.73 0.00 0.00 179.01 178.65 1sce n THR 60 N -3.12 0.00 -0.07 0.32 -2.24 -1.11 -5.04 114.28 103.02 1sce n THR 60 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1sce n THR 60 Cb 0.68 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1sce n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sce n GLY 61 N 1.01 0.75 3.97 3.38 0.00 0.34 -5.05 105.19 109.58 1sce n GLY 61 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1sce n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sce s THR 62 N -2.07 2.47 0.32 2.61 2.01 -1.24 -4.77 115.64 114.98 1sce s THR 62 Ca 0.00 -1.14 -0.29 0.00 0.31 0.00 0.00 61.69 60.57 1sce s THR 62 Cb 0.00 -2.62 -0.10 0.00 0.01 0.00 0.00 72.50 69.79 1sce s THR 62 CO 0.00 0.00 1.25 -0.76 -0.69 0.00 0.00 174.62 174.42 1sce s LEU 63 N -4.39 4.46 0.96 4.42 1.43 -1.26 0.79 118.68 125.08 1sce s LEU 63 Ca 0.53 2.57 -0.12 0.00 -1.03 0.00 0.00 54.13 56.08 1sce s LEU 63 Cb -0.06 -3.65 0.16 0.00 0.03 0.00 0.00 46.19 42.67 1sce s LEU 63 CO 0.32 -0.43 1.09 0.00 0.23 0.00 0.00 176.35 177.56 1sce s ARG 64 N -1.71 0.77 0.22 1.70 1.70 -0.41 -4.69 118.95 116.54 1sce s ARG 64 Ca 0.48 0.69 -0.31 0.00 -0.47 0.00 0.00 55.73 56.12 1sce s ARG 64 Cb -0.37 -1.76 -0.11 0.00 -0.57 0.00 0.00 34.95 32.14 1sce s ARG 64 CO 0.49 -2.54 1.55 0.42 -1.08 0.00 0.00 175.30 174.15 1sce s ILE 65 N -2.93 2.46 0.03 4.99 1.01 -1.26 -4.98 121.20 120.53 1sce s ILE 65 Ca 0.65 0.35 0.02 0.00 0.00 0.00 0.00 60.65 61.67 1sce s ILE 65 Cb -0.19 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 1sce s ILE 65 CO 0.58 0.04 0.02 -0.76 0.00 0.00 0.00 174.94 174.81 1sce s LEU 66 N 0.37 3.57 0.52 2.97 1.43 -1.26 -5.12 118.68 121.16 1sce s LEU 66 Ca 0.66 -0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 53.59 1sce s LEU 66 Cb -0.45 -2.15 -0.06 0.00 0.03 0.00 0.00 46.19 43.56 1sce s LEU 66 CO 0.38 0.24 0.94 -1.58 0.23 0.00 0.00 176.35 176.56 1sce s GLN 67 N -1.89 3.80 0.21 1.70 0.74 -1.26 -4.59 119.66 118.38 1sce s GLN 67 Ca 0.23 0.76 -0.13 0.00 0.05 0.00 0.00 55.36 56.27 1sce s GLN 67 Cb -0.12 -2.19 0.24 0.00 1.10 0.00 0.00 33.01 32.05 1sce s GLN 67 CO 0.14 -0.29 1.63 1.49 -0.55 0.00 0.00 175.29 177.71 1sce h GLU 68 N 0.63 0.01 -0.64 1.67 4.81 -1.99 0.13 114.58 119.20 1sce h GLU 68 Ca -0.46 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.81 1sce h GLU 68 Cb 1.19 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.53 1sce h GLU 68 CO 0.62 0.01 0.42 1.49 -0.73 0.00 0.00 179.01 180.82 1sce h GLU 69 N 0.01 0.71 -0.01 1.92 4.81 -1.98 -0.13 114.58 119.92 1sce h GLU 69 Ca 0.30 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1sce h GLU 69 Cb 0.47 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 1sce h GLU 69 CO -0.63 0.47 -0.01 0.93 -0.73 0.00 0.00 179.01 179.05 1sce h GLU 70 N 0.74 0.03 0.00 1.92 5.08 -1.16 -1.41 114.58 119.77 1sce h GLU 70 Ca 0.26 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 1sce h GLU 70 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1sce h GLU 70 CO -0.07 0.52 -0.19 0.11 -1.00 0.00 0.00 179.01 178.38 1sce h TRP 71 N -0.47 0.00 0.00 4.33 5.08 -0.99 -1.54 115.95 122.36 1sce h TRP 71 Ca 0.00 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.88 1sce h TRP 71 Cb 0.52 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.67 1sce h TRP 71 CO 0.10 0.19 -0.45 0.00 -1.28 0.00 0.00 178.44 176.99 1sce h ARG 72 N 0.00 0.00 0.00 0.12 3.08 -0.99 -2.41 114.38 114.17 1sce h ARG 72 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1sce h ARG 72 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1sce h ARG 72 CO 0.02 0.45 0.00 0.41 -1.07 0.00 0.00 179.97 179.79 1sce n GLY 73 N 0.36 -1.05 0.00 0.04 0.00 -0.54 -2.65 105.19 101.35 1sce n GLY 73 Ca -0.00 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.02 1sce n GLY 73 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sce n LEU 74 N -1.33 0.83 0.00 0.99 4.77 -0.92 -4.96 117.00 116.39 1sce n LEU 74 Ca 0.09 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1sce n LEU 74 Cb 0.19 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1sce n LEU 74 CO 0.17 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1sce n GLY 75 N 1.47 1.21 3.67 -0.72 0.00 -1.09 -4.87 105.19 104.87 1sce n GLY 75 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1sce n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sce s ILE 76 N -2.00 5.04 -0.12 -0.61 1.01 -1.18 -4.93 121.20 118.41 1sce s ILE 76 Ca 0.00 1.19 0.02 0.00 0.00 0.00 0.00 60.65 61.85 1sce s ILE 76 Cb 0.00 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.52 1sce s ILE 76 CO 0.00 0.15 -0.18 0.28 0.00 0.00 0.00 174.94 175.18 1sce s THR 77 N 1.66 2.54 0.33 2.92 -1.32 -1.26 -4.39 115.64 116.13 1sce s THR 77 Ca 0.29 -0.84 -0.09 0.00 -1.21 0.00 0.00 61.69 59.84 1sce s THR 77 Cb -0.16 -2.03 0.02 0.00 -1.51 0.00 0.00 72.50 68.82 1sce s THR 77 CO 0.11 0.54 0.57 -1.10 -2.21 0.00 0.00 174.62 172.53 1sce s GLN 78 N 0.39 1.92 1.12 7.08 -0.21 -1.26 -5.11 119.66 123.59 1sce s GLN 78 Ca -0.14 -1.54 -0.16 0.00 0.02 0.00 0.00 55.36 53.53 1sce s GLN 78 Cb -0.17 0.50 0.25 0.00 1.00 0.00 0.00 33.01 34.59 1sce s GLN 78 CO 0.07 -0.83 1.10 0.45 -2.12 0.00 0.00 175.29 173.95 1sce s SER 79 N -3.14 1.58 0.44 5.90 0.15 -1.26 -5.02 113.70 112.35 1sce s SER 79 Ca 0.24 0.88 -0.19 0.00 0.70 0.00 0.00 55.95 57.58 1sce s SER 79 Cb -0.02 -1.32 -0.10 0.00 -1.71 0.00 0.00 66.02 62.87 1sce s SER 79 CO 0.15 -3.74 0.93 -0.76 1.20 0.00 0.00 173.24 171.01 1sce s LEU 80 N -6.76 3.88 0.00 3.45 2.01 -1.26 -4.41 118.68 115.58 1sce s LEU 80 Ca 0.68 1.60 0.00 0.00 0.01 0.00 0.00 54.13 56.42 1sce s LEU 80 Cb -0.14 -4.46 0.00 0.00 0.01 0.00 0.00 46.19 41.60 1sce s LEU 80 CO 0.57 -0.40 0.00 0.61 1.01 0.00 0.00 176.35 178.14 1sce n GLY 81 N -0.85 1.12 3.79 -3.19 0.00 -1.26 -5.10 105.19 99.71 1sce n GLY 81 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1sce n GLY 81 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sce s TRP 82 N -1.53 2.88 -0.03 1.61 0.52 -1.26 -5.06 118.94 116.06 1sce s TRP 82 Ca 0.00 1.56 -0.01 0.00 0.02 0.00 0.00 56.10 57.67 1sce s TRP 82 Cb 0.00 -3.14 0.03 0.00 -1.15 0.00 0.00 33.47 29.21 1sce s TRP 82 CO 0.00 -1.11 0.03 -1.83 0.02 0.00 0.00 176.95 174.07 1sce s GLU 83 N -3.33 0.06 0.38 4.98 -1.05 -1.26 -4.96 118.70 113.52 1sce s GLU 83 Ca 0.69 0.24 -0.26 0.00 -0.15 0.00 0.00 54.97 55.49 1sce s GLU 83 Cb -0.19 -0.46 -0.09 0.00 -0.44 0.00 0.00 34.13 32.96 1sce s GLU 83 CO 0.24 -0.24 1.13 1.41 0.95 0.00 0.00 175.26 178.75 1sce s MET 84 N 1.57 4.20 0.35 -4.83 -2.45 -1.26 -5.06 119.30 111.82 1sce s MET 84 Ca -0.03 1.75 0.06 0.00 -1.25 0.00 0.00 55.69 56.22 1sce s MET 84 Cb -0.13 -2.74 -0.03 0.00 1.25 0.00 0.00 34.83 33.18 1sce s MET 84 CO -0.03 -0.17 0.23 1.52 1.05 0.00 0.00 175.02 177.63 1sce s TYR 85 N -1.43 1.74 0.17 4.11 1.13 -1.26 -4.83 117.35 116.99 1sce s TYR 85 Ca 0.55 -1.56 0.00 0.00 -1.41 0.00 0.00 57.07 54.65 1sce s TYR 85 Cb -0.29 -0.83 -0.04 0.00 -1.10 0.00 0.00 41.96 39.70 1sce s TYR 85 CO 0.36 -0.72 0.05 -1.21 -2.51 0.00 0.00 175.55 171.53 1sce s GLU 86 N -3.54 1.10 -0.24 -3.49 2.02 -1.26 -4.96 118.70 108.33 1sce s GLU 86 Ca 0.36 -1.54 -0.05 0.00 0.02 0.00 0.00 54.97 53.75 1sce s GLU 86 Cb 0.02 -0.01 -0.01 0.00 0.10 0.00 0.00 34.13 34.23 1sce s GLU 86 CO 0.24 -0.23 0.01 0.08 0.02 0.00 0.00 175.26 175.37 1sce s VAL 87 N -3.88 3.77 -0.40 2.63 1.01 -1.26 -5.07 120.40 117.20 1sce s VAL 87 Ca 0.28 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 1sce s VAL 87 Cb 0.07 -2.75 0.04 0.00 0.00 0.00 0.00 36.38 33.74 1sce s VAL 87 CO 0.06 0.36 0.26 -2.28 0.00 0.00 0.00 175.10 173.50 1sce s HIS 88 N 1.53 3.26 0.03 5.22 2.46 -1.26 -5.07 115.29 121.46 1sce s HIS 88 Ca 0.06 -0.96 -0.30 0.00 0.47 0.00 0.00 55.06 54.32 1sce s HIS 88 Cb -0.15 -2.64 -0.05 0.00 -0.13 0.00 0.00 32.58 29.61 1sce s HIS 88 CO -0.00 -0.69 1.16 0.08 -2.47 0.00 0.00 174.74 172.83 1sce s VAL 89 N 1.57 4.21 0.90 0.89 1.01 -1.26 -5.03 120.40 122.69 1sce s VAL 89 Ca 0.03 1.58 -0.12 0.00 0.00 0.00 0.00 61.98 63.47 1sce s VAL 89 Cb -0.20 -4.01 0.13 0.00 0.00 0.00 0.00 36.38 32.29 1sce s VAL 89 CO 0.07 0.10 1.10 -2.16 0.00 0.00 0.00 175.10 174.21 1sce s PRO 90 N 1.29 1.25 0.74 2.72 0.04 -1.26 -5.04 135.00 134.73 1sce s PRO 90 Ca 0.57 0.60 -0.11 0.00 0.04 0.00 0.00 61.00 62.10 1sce s PRO 90 Cb -0.27 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.48 1sce s PRO 90 CO 0.28 -2.19 1.08 -1.21 0.04 0.00 0.00 177.00 174.99 1sce s GLU 91 N -5.06 2.55 0.67 4.56 8.01 -1.26 -4.93 118.70 123.23 1sce s GLU 91 Ca 0.63 1.00 0.38 0.00 0.01 0.00 0.00 54.97 56.99 1sce s GLU 91 Cb -0.17 -1.94 2.06 0.00 -4.31 0.00 0.00 34.13 29.77 1sce s GLU 91 CO 0.56 -1.38 2.16 -1.35 0.01 0.00 0.00 175.26 175.26 1sce h PRO 92 N -0.93 0.00 -0.19 0.39 0.11 -2.06 -1.73 132.00 127.59 1sce h PRO 92 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1sce h PRO 92 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1sce h PRO 92 CO 0.55 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.95 1sce n HIS 93 N -3.02 0.23 -4.57 0.65 1.44 -1.26 -4.82 115.22 103.87 1sce n HIS 93 Ca -0.02 -0.12 -0.33 0.00 -2.01 0.00 0.00 57.72 55.24 1sce n HIS 93 Cb 0.22 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.17 1sce n HIS 93 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1sce s ILE 94 N -1.77 2.38 -0.08 0.61 1.01 -0.65 -5.11 121.20 117.60 1sce s ILE 94 Ca 0.34 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 60.13 1sce s ILE 94 Cb 0.19 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 1sce s ILE 94 CO 0.28 0.53 -0.10 -0.76 0.00 0.00 0.00 174.94 174.89 1sce s LEU 95 N 0.84 2.95 -0.11 2.97 1.43 -1.26 -4.73 118.68 120.77 1sce s LEU 95 Ca -0.06 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1sce s LEU 95 Cb -0.15 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 1sce s LEU 95 CO -0.01 0.32 -0.02 -0.76 0.23 0.00 0.00 176.35 176.10 1sce s LEU 96 N -0.54 3.41 0.17 1.79 1.43 -1.26 -5.12 118.68 118.56 1sce s LEU 96 Ca 0.08 0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.27 1sce s LEU 96 Cb -0.12 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1sce s LEU 96 CO 0.02 0.30 -0.13 -0.36 0.23 0.00 0.00 176.35 176.41 1sce s PHE 97 N -0.42 1.51 0.06 0.29 0.08 -1.26 -5.16 117.98 113.08 1sce s PHE 97 Ca 0.07 -0.62 -0.22 0.00 0.12 0.00 0.00 56.93 56.28 1sce s PHE 97 Cb -0.12 -0.74 0.05 0.00 -0.57 0.00 0.00 43.02 41.64 1sce s PHE 97 CO 0.02 0.23 0.52 -1.59 -0.10 0.00 0.00 175.22 174.31 1sce s LYS 98 N -3.44 1.06 -0.09 0.44 -2.85 -1.26 -5.17 119.74 108.43 1sce s LYS 98 Ca 0.18 -0.28 -0.08 0.00 -1.00 0.00 0.00 55.97 54.79 1sce s LYS 98 Cb -0.01 0.49 0.03 0.00 -2.06 0.00 0.00 37.83 36.28 1sce s LYS 98 CO 0.04 -0.39 0.24 -0.98 0.10 0.00 0.00 175.35 174.36 1sce s ARG 99 N -2.64 0.27 -0.25 1.78 1.70 -1.26 -5.09 118.95 113.46 1sce s ARG 99 Ca -0.04 0.38 -0.35 0.00 -0.47 0.00 0.00 55.73 55.25 1sce s ARG 99 Cb -0.00 0.08 -0.11 0.00 -0.57 0.00 0.00 34.95 34.35 1sce s ARG 99 CO -0.03 -0.06 2.05 -0.85 -1.08 0.00 0.00 175.30 175.33 1sce n GLU 100 N 3.23 1.53 -0.63 3.89 0.28 -1.26 -4.52 120.64 123.15 1sce n GLU 100 Ca -0.15 0.49 -0.10 0.00 -0.16 0.00 0.00 57.16 57.23 1sce n GLU 100 Cb 0.57 -2.57 -0.09 0.00 1.43 0.00 0.00 31.44 30.77 1sce n GLU 100 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1sce n LYS 101 N 7.49 0.00 0.00 3.44 3.00 -1.26 -5.38 118.16 125.45 1sce n LYS 101 Ca 0.33 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.72 1sce n LYS 101 Cb 0.26 -0.45 0.07 0.00 0.00 0.00 0.00 35.03 34.91 1sce n LYS 101 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00