#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sce s LYS 3 N 0.00 2.67 0.31 -1.46 -2.85 -1.26 -4.92 119.74 112.22 1sce s LYS 3 Ca 0.00 -0.98 -0.29 0.00 -1.00 0.00 0.00 55.97 53.70 1sce s LYS 3 Cb 0.00 -5.22 -0.13 0.00 -2.06 0.00 0.00 37.83 30.42 1sce s LYS 3 CO 0.00 -3.61 1.33 -1.13 0.10 0.00 0.00 175.35 172.04 1sce n SER 4 N 13.59 2.78 0.19 0.03 3.41 -1.26 -4.83 113.62 127.53 1sce n SER 4 Ca 0.43 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 60.23 1sce n SER 4 Cb 0.47 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 1sce n SER 4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sce n GLY 5 N 1.28 -1.56 3.52 5.00 0.00 -1.26 -5.09 105.19 107.09 1sce n GLY 5 Ca 0.07 0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 1sce n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sce s VAL 6 N -1.82 4.36 0.28 1.61 1.01 -1.26 -5.03 120.40 119.56 1sce s VAL 6 Ca 0.00 0.31 -0.29 0.00 0.00 0.00 0.00 61.98 62.00 1sce s VAL 6 Cb 0.00 -4.55 -0.10 0.00 0.00 0.00 0.00 36.38 31.73 1sce s VAL 6 CO 0.00 -1.13 1.30 -2.84 0.00 0.00 0.00 175.10 172.43 1sce s PRO 7 N 4.01 4.38 -1.13 2.72 0.02 -1.26 -4.96 135.00 138.78 1sce s PRO 7 Ca 0.31 2.14 -0.09 0.00 0.02 0.00 0.00 61.00 63.39 1sce s PRO 7 Cb -0.12 -3.12 0.26 0.00 0.02 0.00 0.00 34.50 31.54 1sce s PRO 7 CO 0.19 -0.19 1.27 -2.13 -0.33 0.00 0.00 177.00 175.81 1sce n ARG 8 N 1.51 3.70 -1.80 5.54 0.00 -1.26 -5.03 116.66 119.31 1sce n ARG 8 Ca 0.02 -4.34 -0.39 0.00 -0.00 0.00 0.00 57.85 53.15 1sce n ARG 8 Cb 0.42 -2.64 0.03 0.00 0.00 0.00 0.00 32.46 30.28 1sce n ARG 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1sce s LEU 9 N -1.08 3.92 0.69 6.15 1.02 -1.26 -4.96 118.68 123.17 1sce s LEU 9 Ca 0.33 2.79 -0.13 0.00 0.02 0.00 0.00 54.13 57.14 1sce s LEU 9 Cb -0.05 -4.18 0.02 0.00 0.02 0.00 0.00 46.19 41.99 1sce s LEU 9 CO -0.03 -1.45 1.10 -0.76 0.02 0.00 0.00 176.35 175.23 1sce s LEU 10 N -3.30 3.27 0.45 1.79 2.01 -1.26 -5.05 118.68 116.59 1sce s LEU 10 Ca 0.69 1.90 0.01 0.00 0.01 0.00 0.00 54.13 56.74 1sce s LEU 10 Cb -0.41 -4.54 -0.00 0.00 0.01 0.00 0.00 46.19 41.25 1sce s LEU 10 CO 0.49 -1.71 0.67 0.28 1.01 0.00 0.00 176.35 177.09 1sce s THR 11 N -2.57 3.88 0.29 5.49 -1.32 -1.26 -4.89 115.64 115.26 1sce s THR 11 Ca 0.64 -0.55 0.03 0.00 -1.21 0.00 0.00 61.69 60.61 1sce s THR 11 Cb -0.19 -3.43 0.29 0.00 -1.51 0.00 0.00 72.50 67.67 1sce s THR 11 CO 0.47 -0.29 1.82 0.00 -2.21 0.00 0.00 174.62 174.40 1sce h ALA 12 N 0.40 1.57 -0.32 11.08 0.00 -1.99 -1.21 119.26 128.78 1sce h ALA 12 Ca -0.46 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 1sce h ALA 12 Cb 1.26 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1sce h ALA 12 CO 0.56 0.14 -0.40 0.66 0.00 0.00 0.00 179.25 180.21 1sce h SER 13 N 0.92 0.92 0.55 0.00 4.64 -1.99 -2.28 113.55 116.31 1sce h SER 13 Ca 0.52 -0.49 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 1sce h SER 13 Cb 0.62 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1sce h SER 13 CO -0.30 1.22 -0.27 -0.33 -0.87 0.00 0.00 176.83 176.28 1sce h GLU 14 N 0.63 -0.72 -0.91 4.77 5.08 -1.72 -2.75 114.58 118.95 1sce h GLU 14 Ca 0.04 0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.52 1sce h GLU 14 Cb 1.00 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.35 1sce h GLU 14 CO 0.10 -0.48 0.59 -0.09 -1.00 0.00 0.00 179.01 178.13 1sce h ARG 15 N -0.75 1.01 -0.08 2.33 2.43 -1.30 -0.54 114.38 117.48 1sce h ARG 15 Ca -0.08 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1sce h ARG 15 Cb 0.58 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1sce h ARG 15 CO 0.12 0.67 0.06 1.49 -1.51 0.00 0.00 179.97 180.80 1sce h GLU 16 N 1.04 0.00 0.00 0.20 4.57 -1.15 -0.38 114.58 118.86 1sce h GLU 16 Ca 0.39 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 1sce h GLU 16 Cb 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1sce h GLU 16 CO -0.15 0.00 0.00 -0.09 -1.18 0.00 0.00 179.01 177.59 1sce h ARG 17 N 0.00 0.00 0.00 1.92 2.43 -0.81 -3.23 114.38 114.69 1sce h ARG 17 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1sce h ARG 17 Cb 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1sce h ARG 17 CO -0.00 0.00 -1.38 1.28 -1.51 0.00 0.00 179.97 178.36 1sce n LEU 18 N -2.92 0.49 -0.27 3.80 4.77 -0.17 -4.63 117.00 118.08 1sce n LEU 18 Ca 0.03 0.14 0.08 0.00 -0.03 0.00 0.00 56.01 56.23 1sce n LEU 18 Cb 0.42 -0.04 0.22 0.00 -2.33 0.00 0.00 43.42 41.68 1sce n LEU 18 CO 0.30 -0.07 0.93 -0.33 -1.33 0.00 0.00 177.39 176.89 1sce h GLU 19 N 0.00 0.24 -0.13 3.23 3.07 -1.53 -1.40 114.58 118.05 1sce h GLU 19 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1sce h GLU 19 Cb 0.95 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 1sce h GLU 19 CO 0.00 0.16 0.00 -0.35 -1.40 0.00 0.00 179.01 177.42 1sce n PRO 20 N -5.19 0.50 0.00 2.33 -0.04 -1.26 -2.69 135.00 128.65 1sce n PRO 20 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1sce n PRO 20 Cb 0.54 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 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 -0.30 0.00 -0.28 0.54 3.72 -0.53 -4.81 117.46 115.80 1sce n PHE 21 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 1sce n PHE 21 Cb 0.03 0.00 0.36 0.00 -0.94 0.00 0.00 39.48 38.93 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 0.86 -0.95 4.37 2.04 -1.52 -2.44 117.51 119.86 1sce h ILE 22 Ca 0.00 -0.25 0.13 0.00 1.00 0.00 0.00 64.86 65.74 1sce h ILE 22 Cb 0.36 0.05 -0.08 0.00 -0.74 0.00 0.00 36.82 36.42 1sce h ILE 22 CO 0.00 0.14 0.61 0.44 0.00 0.00 0.00 178.15 179.33 1sce h ASP 23 N 0.74 0.80 -0.36 1.72 3.32 -1.87 -2.81 116.42 117.97 1sce h ASP 23 Ca 0.45 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.54 1sce h ASP 23 Cb 0.66 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1sce h ASP 23 CO -0.21 0.41 0.00 0.00 -1.72 0.00 0.00 179.24 177.73 1sce n GLN 24 N -4.60 1.94 -2.19 3.56 3.00 -0.92 -4.92 117.38 113.26 1sce n GLN 24 Ca 0.18 -1.33 -0.43 0.00 -0.01 0.00 0.00 57.00 55.42 1sce n GLN 24 Cb 0.41 -1.34 -0.02 0.00 0.00 0.00 0.00 30.24 29.29 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 -1.55 3.75 -0.02 5.09 1.01 -1.06 -4.57 121.20 123.85 1sce s ILE 25 Ca 0.25 0.79 -0.25 0.00 0.00 0.00 0.00 60.65 61.44 1sce s ILE 25 Cb 0.13 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1sce s ILE 25 CO 0.16 -0.52 0.75 -2.28 0.00 0.00 0.00 174.94 173.05 1sce s HIS 26 N 5.72 3.65 -0.14 3.97 5.65 -0.68 -4.95 115.29 128.49 1sce s HIS 26 Ca 0.69 1.38 -0.00 0.00 0.25 0.00 0.00 55.06 57.38 1sce s HIS 26 Cb -0.19 -2.84 -0.01 0.00 -1.18 0.00 0.00 32.58 28.36 1sce s HIS 26 CO 0.31 0.15 -0.13 0.71 -0.65 0.00 0.00 174.74 175.13 1sce s TYR 27 N 0.50 2.81 0.96 3.88 1.51 -1.26 -0.97 117.35 124.78 1sce s TYR 27 Ca 0.39 -0.81 -0.14 0.00 -1.01 0.00 0.00 57.07 55.51 1sce s TYR 27 Cb -0.19 -1.88 0.17 0.00 -0.11 0.00 0.00 41.96 39.96 1sce s TYR 27 CO 0.21 -0.33 1.16 -1.54 -1.11 0.00 0.00 175.55 173.94 1sce s SER 28 N 0.59 3.04 0.98 2.29 1.04 -0.66 -5.03 113.70 115.95 1sce s SER 28 Ca -0.08 0.79 -0.14 0.00 0.48 0.00 0.00 55.95 57.00 1sce s SER 28 Cb -0.16 -1.22 0.18 0.00 0.10 0.00 0.00 66.02 64.92 1sce s SER 28 CO 0.03 -2.83 1.14 -2.84 0.98 0.00 0.00 173.24 169.73 1sce s PRO 29 N -5.41 0.54 -0.02 4.02 0.02 -1.26 -4.76 135.00 128.14 1sce s PRO 29 Ca 0.67 0.20 -0.19 0.00 0.02 0.00 0.00 61.00 61.70 1sce s PRO 29 Cb -0.12 -1.78 -0.05 0.00 0.02 0.00 0.00 34.50 32.57 1sce s PRO 29 CO 0.54 -2.59 0.52 1.03 -0.33 0.00 0.00 177.00 176.17 1sce s ARG 30 N -5.30 4.22 0.41 5.54 0.52 -1.26 -4.63 118.95 118.45 1sce s ARG 30 Ca 0.66 0.60 0.07 0.00 -0.52 0.00 0.00 55.73 56.55 1sce s ARG 30 Cb -0.14 -3.32 -0.05 0.00 0.52 0.00 0.00 34.95 31.97 1sce s ARG 30 CO 0.55 0.44 0.20 0.71 0.02 0.00 0.00 175.30 177.21 1sce s TYR 31 N -0.35 2.62 -0.10 -0.53 2.02 -0.15 -4.93 117.35 115.93 1sce s TYR 31 Ca 0.28 -0.58 -0.31 0.00 -0.37 0.00 0.00 57.07 56.10 1sce s TYR 31 Cb -0.17 -1.98 0.10 0.00 -0.40 0.00 0.00 41.96 39.50 1sce s TYR 31 CO 0.15 0.16 0.82 0.00 -1.57 0.00 0.00 175.55 175.11 1sce s ALA 32 N -2.59 -1.84 0.00 3.71 0.00 -1.26 -0.28 121.76 119.50 1sce s ALA 32 Ca 0.42 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.81 1sce s ALA 32 Cb 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.84 1sce s ALA 32 CO 0.23 -0.35 0.00 -0.40 0.00 0.00 0.00 175.76 175.24 1sce n ASP 33 N 0.82 0.00 -0.03 0.00 5.68 -0.98 -5.00 116.55 117.04 1sce n ASP 33 Ca -0.15 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.09 1sce n ASP 33 Cb 0.57 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.53 1sce n ASP 33 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1sce n ASP 34 N 0.00 1.06 -0.03 -1.12 8.00 -1.26 -4.86 116.55 118.34 1sce n ASP 34 Ca 0.00 0.05 -0.15 0.00 0.71 0.00 0.00 54.79 55.39 1sce n ASP 34 Cb 0.00 -0.14 -0.14 0.00 -0.02 0.00 0.00 41.12 40.82 1sce n ASP 34 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1sce n GLU 35 N -3.12 0.69 -4.47 -1.24 -0.58 -1.26 -5.04 120.64 105.63 1sce n GLU 35 Ca -0.10 0.23 -0.24 0.00 -0.42 0.00 0.00 57.16 56.63 1sce n GLU 35 Cb 0.58 -1.70 -0.08 0.00 -0.57 0.00 0.00 31.44 29.67 1sce n GLU 35 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1sce s TYR 36 N -2.56 1.77 -0.01 -0.32 2.02 -1.26 -5.15 117.35 111.84 1sce s TYR 36 Ca -0.16 -1.33 0.08 0.00 -0.37 0.00 0.00 57.07 55.29 1sce s TYR 36 Cb 0.07 -1.08 -0.02 0.00 -0.40 0.00 0.00 41.96 40.53 1sce s TYR 36 CO 0.78 -0.38 -0.26 -2.00 -1.57 0.00 0.00 175.55 172.12 1sce s GLU 37 N -3.69 2.08 0.16 -0.62 2.12 -1.26 -2.32 118.70 115.17 1sce s GLU 37 Ca 0.27 -0.95 0.10 0.00 0.36 0.00 0.00 54.97 54.75 1sce s GLU 37 Cb 0.03 -2.04 -0.04 0.00 0.26 0.00 0.00 34.13 32.34 1sce s GLU 37 CO 0.16 0.56 -0.21 0.71 -0.54 0.00 0.00 175.26 175.94 1sce s TYR 38 N -0.64 2.01 -0.07 5.30 2.02 0.62 -4.94 117.35 121.66 1sce s TYR 38 Ca 0.10 -0.42 -0.08 0.00 -0.37 0.00 0.00 57.07 56.30 1sce s TYR 38 Cb -0.10 -1.02 0.02 0.00 -0.40 0.00 0.00 41.96 40.46 1sce s TYR 38 CO -0.01 0.37 0.22 0.50 -1.57 0.00 0.00 175.55 175.06 1sce s ARG 39 N -2.55 0.33 -0.12 -0.62 6.06 -1.26 -0.98 118.95 119.81 1sce s ARG 39 Ca 0.16 0.17 0.02 0.00 -2.50 0.00 0.00 55.73 53.58 1sce s ARG 39 Cb -0.07 0.15 0.01 0.00 0.06 0.00 0.00 34.95 35.10 1sce s ARG 39 CO 0.07 -0.06 -0.19 -1.01 -2.50 0.00 0.00 175.30 171.62 1sce s HIS 40 N -0.22 2.34 -0.21 5.12 3.76 -1.26 -5.02 115.29 119.80 1sce s HIS 40 Ca -0.03 -1.13 -0.04 0.00 -0.15 0.00 0.00 55.06 53.71 1sce s HIS 40 Cb -0.03 -1.62 -0.01 0.00 1.11 0.00 0.00 32.58 32.02 1sce s HIS 40 CO 0.01 -0.53 -0.04 0.08 -0.85 0.00 0.00 174.74 173.41 1sce s VAL 41 N 0.84 3.54 -0.30 -0.90 1.01 -1.26 -1.65 120.40 121.68 1sce s VAL 41 Ca -0.08 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 1sce s VAL 41 Cb -0.15 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.65 1sce s VAL 41 CO -0.01 0.43 0.06 -0.04 0.00 0.00 0.00 175.10 175.55 1sce s MET 42 N 1.21 2.94 0.14 2.72 -1.94 -0.14 -5.00 119.30 119.22 1sce s MET 42 Ca 0.03 -0.95 -0.00 0.00 -1.71 0.00 0.00 55.69 53.05 1sce s MET 42 Cb -0.14 -3.33 -0.04 0.00 2.01 0.00 0.00 34.83 33.32 1sce s MET 42 CO -0.01 -0.49 0.31 -0.48 -0.01 0.00 0.00 175.02 174.34 1sce s LEU 43 N 1.45 4.30 0.24 -0.03 0.05 -1.26 -1.69 118.68 121.74 1sce s LEU 43 Ca 0.01 0.33 -0.31 0.00 0.05 0.00 0.00 54.13 54.22 1sce s LEU 43 Cb -0.18 -3.06 -0.14 0.00 -2.05 0.00 0.00 46.19 40.76 1sce s LEU 43 CO 0.02 0.06 1.23 -2.65 -0.55 0.00 0.00 176.35 174.45 1sce n PRO 44 N -0.25 1.61 0.13 1.48 -0.02 -1.26 -4.86 135.00 131.83 1sce n PRO 44 Ca -0.05 0.57 0.11 0.00 -2.02 0.00 0.00 63.50 62.11 1sce n PRO 44 Cb 0.53 -2.10 0.61 0.00 -0.02 0.00 0.00 33.50 32.51 1sce n PRO 44 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1sce h LYS 45 N 3.27 0.11 0.00 -0.52 1.57 -2.00 -1.89 116.57 117.12 1sce h LYS 45 Ca -0.43 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.25 1sce h LYS 45 Cb 1.31 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 1sce h LYS 45 CO 0.69 0.08 -0.42 0.00 -0.57 0.00 0.00 179.45 179.23 1sce h ALA 46 N 1.87 0.91 0.00 3.86 0.00 -2.04 -3.09 119.26 120.78 1sce h ALA 46 Ca 0.11 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1sce h ALA 46 Cb 0.30 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1sce h ALA 46 CO -0.01 0.52 -0.02 1.98 0.00 0.00 0.00 179.25 181.72 1sce h MET 47 N 0.00 0.00 0.00 0.00 -1.53 -1.70 -2.42 114.93 109.28 1sce h MET 47 Ca -0.00 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.25 1sce h MET 47 Cb 1.01 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 32.06 1sce h MET 47 CO 0.05 0.02 -0.02 -0.07 0.14 0.00 0.00 176.91 177.03 1sce h LEU 48 N 0.00 0.00 -0.79 3.39 3.38 -1.65 -1.79 115.31 117.86 1sce h LEU 48 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1sce h LEU 48 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1sce h LEU 48 CO 0.00 0.02 -0.13 0.50 0.09 0.00 0.00 178.44 178.92 1sce h LYS 49 N 0.00 0.00 -0.00 1.13 1.63 -1.64 -3.10 116.57 114.58 1sce h LYS 49 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1sce h LYS 49 Cb 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1sce h LYS 49 CO 0.00 0.13 -0.70 0.00 -3.45 0.00 0.00 179.45 175.44 1sce n ALA 50 N -2.15 4.05 -1.78 5.00 0.00 -0.69 -4.95 120.51 120.00 1sce n ALA 50 Ca 0.02 -0.51 -0.37 0.00 0.00 0.00 0.00 53.44 52.57 1sce n ALA 50 Cb 0.46 -0.92 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.87 3.66 0.27 0.00 1.01 -1.13 -4.84 121.20 117.30 1sce s ILE 51 Ca 0.12 1.36 -0.30 0.00 0.00 0.00 0.00 60.65 61.83 1sce s ILE 51 Cb 0.17 -3.75 -0.11 0.00 0.01 0.00 0.00 42.46 38.79 1sce s ILE 51 CO 0.74 0.09 1.51 -2.84 0.00 0.00 0.00 174.94 174.44 1sce s PRO 52 N -2.24 4.20 0.28 2.79 0.02 -1.26 -4.94 135.00 133.85 1sce s PRO 52 Ca 0.55 2.42 0.02 0.00 0.02 0.00 0.00 61.00 64.01 1sce s PRO 52 Cb -0.24 -3.07 0.62 0.00 0.02 0.00 0.00 34.50 31.82 1sce s PRO 52 CO 0.31 -0.51 1.79 1.79 -0.33 0.00 0.00 177.00 180.04 1sce h THR 53 N 3.46 0.77 0.00 0.99 1.35 -1.96 -0.89 112.91 116.62 1sce h THR 53 Ca -0.46 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 1sce h THR 53 Cb 1.22 -0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1sce h THR 53 CO 0.78 0.14 0.00 -0.90 -0.25 0.00 0.00 175.52 175.29 1sce n ASP 54 N -4.77 0.00 0.05 5.36 5.75 -1.26 -1.68 116.55 120.00 1sce n ASP 54 Ca 0.20 -0.55 0.12 0.00 -0.01 0.00 0.00 54.79 54.54 1sce n ASP 54 Cb 0.47 0.00 0.11 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 -0.97 0.50 -2.63 2.11 4.02 -0.34 -4.93 117.16 114.91 1sce n TYR 55 Ca 0.12 0.15 -0.21 0.00 -0.01 0.00 0.00 57.90 57.94 1sce n TYR 55 Cb 0.06 -0.62 0.05 0.00 -0.02 0.00 0.00 39.34 38.80 1sce n TYR 55 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1sce s PHE 56 N -3.20 2.69 -0.25 -0.72 0.40 -0.68 -1.37 117.98 114.85 1sce s PHE 56 Ca 0.05 -0.05 -0.06 0.00 -0.60 0.00 0.00 56.93 56.27 1sce s PHE 56 Cb 0.13 -2.78 -0.01 0.00 0.51 0.00 0.00 43.02 40.88 1sce s PHE 56 CO 0.75 -0.98 0.03 1.21 0.70 0.00 0.00 175.22 176.94 1sce s ASN 57 N -4.47 4.85 0.31 1.36 3.84 0.27 -4.44 114.94 116.66 1sce s ASN 57 Ca 0.58 -0.40 0.08 0.00 0.21 0.00 0.00 52.86 53.33 1sce s ASN 57 Cb -0.10 -1.85 0.80 0.00 -0.55 0.00 0.00 41.25 39.56 1sce s ASN 57 CO 0.39 -0.07 1.77 -0.65 -2.79 0.00 0.00 177.10 175.75 1sce h PRO 58 N 8.19 0.67 0.01 0.43 0.11 -1.94 0.45 132.00 139.92 1sce h PRO 58 Ca -0.38 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 1sce h PRO 58 Cb 1.16 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1sce h PRO 58 CO 0.59 0.44 -0.00 1.05 -0.21 0.00 0.00 178.00 179.87 1sce h GLU 59 N 0.69 -0.01 0.00 1.05 9.09 -1.95 -3.38 114.58 120.06 1sce h GLU 59 Ca 0.60 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.01 1sce h GLU 59 Cb 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.12 1sce h GLU 59 CO -0.40 -0.01 0.00 0.00 0.05 0.00 0.00 179.01 178.65 1sce h THR 60 N -0.11 0.00 -0.31 -1.06 1.03 -2.01 -3.46 112.91 106.98 1sce h THR 60 Ca -0.00 -0.50 -0.13 0.00 -0.01 0.00 0.00 66.41 65.77 1sce h THR 60 Cb 0.01 1.47 -0.05 0.00 -1.07 0.00 0.00 68.15 68.51 1sce h THR 60 CO 0.00 0.00 -0.12 0.61 -0.01 0.00 0.00 175.52 176.00 1sce n GLY 61 N 0.08 0.87 3.92 2.99 0.00 0.15 -5.02 105.19 108.17 1sce n GLY 61 Ca 0.01 -0.76 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 1sce n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sce s THR 62 N -2.24 1.56 0.32 2.61 -4.23 -1.25 -4.82 115.64 107.59 1sce s THR 62 Ca 0.00 -1.47 -0.26 0.00 -1.18 0.00 0.00 61.69 58.77 1sce s THR 62 Cb 0.00 -2.03 -0.10 0.00 1.34 0.00 0.00 72.50 71.71 1sce s THR 62 CO 0.00 0.00 0.97 -0.76 -0.54 0.00 0.00 174.62 174.29 1sce s LEU 63 N -4.33 4.36 0.70 4.79 1.43 -1.26 0.93 118.68 125.31 1sce s LEU 63 Ca 0.34 1.90 -0.11 0.00 -1.03 0.00 0.00 54.13 55.23 1sce s LEU 63 Cb -0.03 -3.97 0.01 0.00 0.03 0.00 0.00 46.19 42.24 1sce s LEU 63 CO 0.21 -0.10 1.09 0.00 0.23 0.00 0.00 176.35 177.78 1sce s ARG 64 N -1.97 2.90 0.23 1.70 1.70 -0.47 -4.69 118.95 118.35 1sce s ARG 64 Ca 0.50 0.53 -0.32 0.00 -0.47 0.00 0.00 55.73 55.97 1sce s ARG 64 Cb -0.21 -2.02 -0.13 0.00 -0.57 0.00 0.00 34.95 32.02 1sce s ARG 64 CO 0.26 -1.02 1.46 -0.89 -1.08 0.00 0.00 175.30 174.04 1sce n ILE 65 N -3.01 0.79 -4.97 4.99 2.08 -1.26 -4.97 119.36 113.01 1sce n ILE 65 Ca 0.07 -0.20 -0.32 0.00 0.56 0.00 0.00 62.75 62.86 1sce n ILE 65 Cb 0.57 -1.55 -0.14 0.00 -0.75 0.00 0.00 39.64 37.76 1sce n ILE 65 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1sce s LEU 66 N 0.17 2.56 0.78 1.39 1.43 -1.26 -5.11 118.68 118.64 1sce s LEU 66 Ca 0.69 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 1sce s LEU 66 Cb -0.63 -1.51 0.06 0.00 0.03 0.00 0.00 46.19 44.13 1sce s LEU 66 CO 0.47 0.30 1.08 -1.10 0.23 0.00 0.00 176.35 177.34 1sce s GLN 67 N -0.46 2.21 0.22 1.70 -0.21 -1.26 -4.52 119.66 117.34 1sce s GLN 67 Ca 0.05 0.90 -0.10 0.00 0.02 0.00 0.00 55.36 56.23 1sce s GLN 67 Cb -0.12 -1.91 0.31 0.00 1.00 0.00 0.00 33.01 32.29 1sce s GLN 67 CO 0.02 -1.60 1.66 1.49 -2.12 0.00 0.00 175.29 174.74 1sce h GLU 68 N -1.08 0.12 0.00 2.91 4.81 -2.00 -0.19 114.58 119.14 1sce h GLU 68 Ca -0.46 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 1sce h GLU 68 Cb 1.24 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 1sce h GLU 68 CO 0.56 0.08 -0.12 1.49 -0.73 0.00 0.00 179.01 180.29 1sce h GLU 69 N 0.12 0.00 0.12 1.92 4.81 -1.99 -1.97 114.58 117.59 1sce h GLU 69 Ca 0.33 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 1sce h GLU 69 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1sce h GLU 69 CO -0.53 0.12 -0.06 0.93 -0.73 0.00 0.00 179.01 178.74 1sce h GLU 70 N 0.00 -0.15 0.00 1.92 5.08 -1.39 -2.69 114.58 117.34 1sce h GLU 70 Ca -0.00 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1sce h GLU 70 Cb 0.24 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1sce h GLU 70 CO 0.02 0.19 -0.28 0.11 -1.00 0.00 0.00 179.01 178.04 1sce h TRP 71 N -0.98 0.00 -0.33 4.33 5.08 -1.48 -1.84 115.95 120.73 1sce h TRP 71 Ca -0.02 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.87 1sce h TRP 71 Cb 0.41 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.55 1sce h TRP 71 CO 0.08 0.28 -0.15 0.00 -1.28 0.00 0.00 178.44 177.37 1sce h ARG 72 N 0.00 0.58 0.00 0.12 3.08 -1.46 -1.20 114.38 115.50 1sce h ARG 72 Ca -0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1sce h ARG 72 Cb 0.54 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1sce h ARG 72 CO 0.04 0.71 0.00 0.78 -1.07 0.00 0.00 179.97 180.43 1sce h GLY 73 N 0.96 0.00 1.83 0.04 0.00 -0.98 -2.02 103.07 102.90 1sce h GLY 73 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1sce h GLY 73 CO 0.04 0.00 -0.15 1.41 0.00 0.00 0.00 176.54 177.83 1sce h LEU 74 N 0.00 0.00 0.00 3.11 3.38 -0.95 -3.48 115.31 117.37 1sce h LEU 74 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1sce h LEU 74 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1sce h LEU 74 CO 0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1sce n GLY 75 N 1.20 0.89 3.59 0.83 0.00 -0.76 -4.91 105.19 106.03 1sce n GLY 75 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 3.99 -0.44 -0.61 1.01 -1.19 -4.98 121.20 116.98 1sce s ILE 76 Ca 0.00 0.93 -0.20 0.00 0.00 0.00 0.00 60.65 61.38 1sce s ILE 76 Cb 0.00 -4.55 0.03 0.00 0.01 0.00 0.00 42.46 37.94 1sce s ILE 76 CO 0.00 -1.13 0.61 0.42 0.00 0.00 0.00 174.94 174.84 1sce s THR 77 N 5.16 4.86 0.07 2.92 -4.23 -1.26 -4.40 115.64 118.77 1sce s THR 77 Ca 0.49 -0.02 -0.00 0.00 -1.18 0.00 0.00 61.69 60.98 1sce s THR 77 Cb -0.09 -4.20 -0.04 0.00 1.34 0.00 0.00 72.50 69.51 1sce s THR 77 CO 0.28 -0.60 -0.03 -1.10 -0.54 0.00 0.00 174.62 172.63 1sce s GLN 78 N 2.71 0.71 1.00 3.99 -0.21 -1.26 -5.16 119.66 121.45 1sce s GLN 78 Ca 0.20 -1.28 -0.14 0.00 0.02 0.00 0.00 55.36 54.17 1sce s GLN 78 Cb -0.15 0.07 0.19 0.00 1.00 0.00 0.00 33.01 34.12 1sce s GLN 78 CO 0.17 -0.09 1.13 -1.12 -2.12 0.00 0.00 175.29 173.26 1sce s SER 79 N -2.97 2.69 0.10 5.90 0.01 -1.26 -4.99 113.70 113.18 1sce s SER 79 Ca 0.10 0.91 -0.30 0.00 1.31 0.00 0.00 55.95 57.97 1sce s SER 79 Cb 0.07 -1.42 -0.06 0.00 0.21 0.00 0.00 66.02 64.82 1sce s SER 79 CO -0.07 -3.06 1.11 -0.76 0.41 0.00 0.00 173.24 170.87 1sce s LEU 80 N -6.33 4.42 0.00 2.44 2.01 -1.26 -3.76 118.68 116.20 1sce s LEU 80 Ca 0.66 1.97 0.00 0.00 0.01 0.00 0.00 54.13 56.78 1sce s LEU 80 Cb -0.14 -3.59 0.00 0.00 0.01 0.00 0.00 46.19 42.47 1sce s LEU 80 CO 0.55 -0.31 0.00 0.61 1.01 0.00 0.00 176.35 178.21 1sce n GLY 81 N 2.65 0.93 3.72 -3.19 0.00 -1.26 -5.10 105.19 102.94 1sce n GLY 81 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 3.55 -0.06 1.61 0.52 -1.25 -5.06 118.94 116.26 1sce s TRP 82 Ca 0.00 1.12 0.06 0.00 0.02 0.00 0.00 56.10 57.30 1sce s TRP 82 Cb 0.00 -2.72 -0.01 0.00 -1.15 0.00 0.00 33.47 29.60 1sce s TRP 82 CO 0.00 0.11 -0.23 -1.83 0.02 0.00 0.00 176.95 175.02 1sce s GLU 83 N 0.75 2.40 0.08 4.98 -1.05 -1.26 -4.89 118.70 119.69 1sce s GLU 83 Ca 0.33 -0.83 -0.30 0.00 -0.15 0.00 0.00 54.97 54.02 1sce s GLU 83 Cb -0.17 -2.02 -0.06 0.00 -0.44 0.00 0.00 34.13 31.44 1sce s GLU 83 CO 0.15 0.33 1.18 1.41 0.95 0.00 0.00 175.26 179.29 1sce s MET 84 N -0.08 4.45 0.48 -4.83 -2.45 -1.26 -5.04 119.30 110.58 1sce s MET 84 Ca -0.05 1.76 0.03 0.00 -1.25 0.00 0.00 55.69 56.18 1sce s MET 84 Cb -0.14 -3.34 -0.03 0.00 1.25 0.00 0.00 34.83 32.58 1sce s MET 84 CO 0.04 -0.21 0.03 1.52 1.05 0.00 0.00 175.02 177.44 1sce s TYR 85 N 0.89 2.04 -0.02 4.11 1.13 -1.26 -4.82 117.35 119.43 1sce s TYR 85 Ca 0.57 -0.87 -0.02 0.00 -1.41 0.00 0.00 57.07 55.34 1sce s TYR 85 Cb -0.29 -1.68 0.00 0.00 -1.10 0.00 0.00 41.96 38.89 1sce s TYR 85 CO 0.30 0.25 0.06 -2.00 -2.51 0.00 0.00 175.55 171.65 1sce s GLU 86 N -3.86 0.13 0.17 -3.49 2.12 -1.26 -5.01 118.70 107.51 1sce s GLU 86 Ca 0.16 -0.01 -0.08 0.00 0.36 0.00 0.00 54.97 55.39 1sce s GLU 86 Cb 0.04 0.06 -0.06 0.00 0.26 0.00 0.00 34.13 34.42 1sce s GLU 86 CO 0.08 -0.02 0.47 0.14 -0.54 0.00 0.00 175.26 175.39 1sce s VAL 87 N -0.22 5.03 -0.09 3.70 -7.23 -1.26 -5.10 120.40 115.23 1sce s VAL 87 Ca -0.03 0.33 0.01 0.00 -1.81 0.00 0.00 61.98 60.49 1sce s VAL 87 Cb -0.02 -3.63 0.02 0.00 0.56 0.00 0.00 36.38 33.31 1sce s VAL 87 CO 0.00 0.03 -0.11 -1.00 -0.31 0.00 0.00 175.10 173.72 1sce s HIS 88 N -1.69 1.51 -0.14 2.82 0.09 -1.26 -5.12 115.29 111.50 1sce s HIS 88 Ca 0.43 -0.65 -0.19 0.00 -0.00 0.00 0.00 55.06 54.65 1sce s HIS 88 Cb -0.12 -1.16 -0.04 0.00 -0.00 0.00 0.00 32.58 31.26 1sce s HIS 88 CO 0.22 -0.38 0.52 0.08 -0.00 0.00 0.00 174.74 175.18 1sce s VAL 89 N 1.08 5.14 0.99 -0.90 1.01 -1.26 -5.07 120.40 121.39 1sce s VAL 89 Ca -0.07 1.02 -0.12 0.00 0.00 0.00 0.00 61.98 62.81 1sce s VAL 89 Cb -0.14 -3.86 0.18 0.00 0.00 0.00 0.00 36.38 32.56 1sce s VAL 89 CO -0.01 0.27 1.09 -2.84 0.00 0.00 0.00 175.10 173.61 1sce s PRO 90 N 0.96 0.53 0.61 2.72 0.02 -1.26 -4.98 135.00 133.60 1sce s PRO 90 Ca 0.27 0.53 -0.19 0.00 0.02 0.00 0.00 61.00 61.63 1sce s PRO 90 Cb -0.15 -1.75 -0.02 0.00 0.02 0.00 0.00 34.50 32.59 1sce s PRO 90 CO 0.11 -2.67 1.31 -1.21 -0.33 0.00 0.00 177.00 174.21 1sce s GLU 91 N -4.98 2.77 0.55 5.54 2.02 -1.26 -4.88 118.70 118.47 1sce s GLU 91 Ca 0.65 2.10 0.39 0.00 0.02 0.00 0.00 54.97 58.13 1sce s GLU 91 Cb -0.18 -1.98 1.55 0.00 0.10 0.00 0.00 34.13 33.61 1sce s GLU 91 CO 0.57 -1.44 1.73 -1.35 0.02 0.00 0.00 175.26 174.80 1sce h PRO 92 N 0.87 0.00 -0.03 0.39 0.11 -2.06 0.53 132.00 131.80 1sce h PRO 92 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1sce h PRO 92 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 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 -4.03 0.03 -4.13 0.65 1.44 -1.26 -4.83 115.22 103.10 1sce n HIS 93 Ca 0.28 -0.02 -0.34 0.00 -2.01 0.00 0.00 57.72 55.63 1sce n HIS 93 Cb 1.39 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 31.39 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 -1.97 4.36 -0.05 0.61 1.01 0.17 -5.10 121.20 120.23 1sce s ILE 94 Ca 0.39 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.89 1sce s ILE 94 Cb 0.20 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 1sce s ILE 94 CO 0.32 0.46 -0.14 -0.76 0.00 0.00 0.00 174.94 174.82 1sce s LEU 95 N 0.54 2.74 -0.10 2.97 1.43 -1.26 -4.83 118.68 120.17 1sce s LEU 95 Ca 0.01 -0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 52.87 1sce s LEU 95 Cb -0.13 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 1sce s LEU 95 CO 0.02 0.34 0.06 -0.76 0.23 0.00 0.00 176.35 176.24 1sce s LEU 96 N -0.68 3.92 0.05 1.79 1.43 -1.26 -5.11 118.68 118.82 1sce s LEU 96 Ca 0.10 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.49 1sce s LEU 96 Cb -0.11 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 1sce s LEU 96 CO 0.01 0.38 -0.06 -0.36 0.23 0.00 0.00 176.35 176.55 1sce s PHE 97 N -0.90 0.57 0.20 0.29 0.40 -1.26 -5.17 117.98 112.12 1sce s PHE 97 Ca 0.14 -0.63 -0.15 0.00 -0.60 0.00 0.00 56.93 55.68 1sce s PHE 97 Cb -0.12 -0.36 0.01 0.00 0.51 0.00 0.00 43.02 43.07 1sce s PHE 97 CO 0.03 -0.16 0.47 -1.59 0.70 0.00 0.00 175.22 174.68 1sce s LYS 98 N -2.14 1.38 -0.13 0.44 -2.85 -1.26 -5.19 119.74 109.99 1sce s LYS 98 Ca -0.07 -1.00 -0.30 0.00 -1.00 0.00 0.00 55.97 53.60 1sce s LYS 98 Cb -0.06 0.49 0.12 0.00 -2.06 0.00 0.00 37.83 36.31 1sce s LYS 98 CO -0.02 -0.57 0.94 -0.98 0.10 0.00 0.00 175.35 174.82 1sce s ARG 99 N -3.92 0.68 0.19 1.78 1.70 -1.26 -5.14 118.95 112.99 1sce s ARG 99 Ca 0.13 0.10 -0.31 0.00 -0.47 0.00 0.00 55.73 55.18 1sce s ARG 99 Cb -0.00 0.32 -0.10 0.00 -0.57 0.00 0.00 34.95 34.59 1sce s ARG 99 CO 0.00 -0.23 1.57 -1.21 -1.08 0.00 0.00 175.30 174.36 1sce s GLU 100 N -1.38 4.20 0.05 3.89 2.02 -1.26 -4.95 118.70 121.28 1sce s GLU 100 Ca -0.02 2.40 -0.31 0.00 0.02 0.00 0.00 54.97 57.07 1sce s GLU 100 Cb -0.00 -3.13 -0.06 0.00 0.10 0.00 0.00 34.13 31.04 1sce s GLU 100 CO 0.01 -0.60 1.29 0.21 0.02 0.00 0.00 175.26 176.20 1sce s LYS 101 N 0.77 4.36 0.02 1.61 2.20 -1.26 -5.03 119.74 122.41 1sce s LYS 101 Ca 0.68 1.88 0.03 0.00 -0.36 0.00 0.00 55.97 58.20 1sce s LYS 101 Cb -0.45 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.44 1sce s LYS 101 CO 0.35 -0.39 -0.01 0.34 -0.36 0.00 0.00 175.35 175.27 1sce s ASP 102 N 1.30 5.01 0.09 1.43 2.15 -1.26 -5.08 116.67 120.31 1sce s ASP 102 Ca 0.61 -0.07 -0.25 0.00 0.43 0.00 0.00 52.55 53.26 1sce s ASP 102 Cb -0.31 -1.26 0.09 0.00 -0.30 0.00 0.00 42.92 41.14 1sce s ASP 102 CO 0.28 0.26 1.14 -0.72 -0.17 0.00 0.00 175.17 175.96 1sce s TYR 103 N -1.12 0.03 -0.95 -5.34 1.13 -1.26 -5.03 117.35 104.82 1sce s TYR 103 Ca 0.21 -0.30 -0.21 0.00 -1.41 0.00 0.00 57.07 55.35 1sce s TYR 103 Cb -0.11 0.63 -0.12 0.00 -1.10 0.00 0.00 41.96 41.26 1sce s TYR 103 CO 0.12 -0.63 1.94 1.04 -2.51 0.00 0.00 175.55 175.51 1sce n GLN 104 N -0.74 1.72 -0.31 -3.49 6.02 -1.26 -4.54 117.38 114.79 1sce n GLN 104 Ca -0.01 -2.12 0.07 0.00 -0.01 0.00 0.00 57.00 54.93 1sce n GLN 104 Cb 0.60 -3.16 0.20 0.00 1.02 0.00 0.00 30.24 28.90 1sce n GLN 104 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sce n MET 105 N 7.29 2.81 -3.33 -1.09 0.00 -1.26 -4.74 117.12 116.79 1sce n MET 105 Ca 0.49 -2.48 -0.27 0.00 0.00 0.00 0.00 57.70 55.44 1sce n MET 105 Cb 0.42 -1.58 -0.07 0.00 0.00 0.00 0.00 33.22 31.98 1sce n MET 105 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1sce n LYS 106 N -0.21 2.51 -1.62 3.17 5.02 -1.26 -5.08 118.16 120.69 1sce n LYS 106 Ca 0.17 -4.60 -0.48 0.00 -2.02 0.00 0.00 58.31 51.37 1sce n LYS 106 Cb 0.68 -2.18 -0.04 0.00 -0.02 0.00 0.00 35.03 33.46 1sce n LYS 106 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1sce n SER 107 N 0.71 2.16 -4.90 4.39 7.64 -1.26 -5.01 113.62 117.34 1sce n SER 107 Ca 0.30 1.12 -0.26 0.00 1.01 0.00 0.00 58.87 61.04 1sce n SER 107 Cb 0.42 -1.30 -0.01 0.00 -1.01 0.00 0.00 64.21 62.31 1sce n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sce s GLN 108 N 0.25 2.27 0.31 1.43 -2.07 -1.26 -5.04 119.66 115.54 1sce s GLN 108 Ca 0.78 -1.98 0.04 0.00 -1.82 0.00 0.00 55.36 52.38 1sce s GLN 108 Cb -0.80 -2.13 0.51 0.00 -1.09 0.00 0.00 33.01 29.50 1sce s GLN 108 CO 0.46 -0.60 1.79 1.96 -1.32 0.00 0.00 175.29 177.59 1sce h GLN 109 N 0.76 0.47 -5.28 9.60 4.20 -2.05 -3.45 115.11 119.37 1sce h GLN 109 Ca -0.37 -0.14 -0.41 0.00 0.06 0.00 0.00 58.65 57.78 1sce h GLN 109 Cb 1.30 -0.05 -0.23 0.00 0.30 0.00 0.00 27.48 28.81 1sce h GLN 109 CO 0.57 0.62 -0.78 1.03 -0.67 0.00 0.00 178.83 179.59 1sce s ARG 110 N -4.68 0.84 -0.01 1.46 0.52 -1.26 -4.97 118.95 110.86 1sce s ARG 110 Ca -0.07 -0.86 -0.00 0.00 -0.52 0.00 0.00 55.73 54.28 1sce s ARG 110 Cb 0.14 -0.83 0.00 0.00 0.52 0.00 0.00 34.95 34.78 1sce s ARG 110 CO 0.78 0.19 0.00 0.41 0.02 0.00 0.00 175.30 176.70 1sce n GLY 111 N 1.55 -0.01 0.00 -3.53 0.00 -1.26 -5.17 105.19 96.77 1sce n GLY 111 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1sce n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93