#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p8i s THR 2 N 0.00 -0.16 0.24 2.61 2.01 -1.26 -5.26 115.64 113.82 2p8i s THR 2 Ca 0.00 0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 2p8i s THR 2 Cb 0.00 -0.32 -0.09 0.00 0.01 0.00 0.00 72.50 72.10 2p8i s THR 2 CO 0.00 0.10 1.25 -0.36 -0.69 0.00 0.00 174.62 174.92 2p8i s PHE 3 N 1.69 3.30 0.12 4.92 0.40 -1.26 -5.03 117.98 122.12 2p8i s PHE 3 Ca -0.04 1.40 0.09 0.00 -0.60 0.00 0.00 56.93 57.78 2p8i s PHE 3 Cb -0.11 -3.53 -0.04 0.00 0.51 0.00 0.00 43.02 39.85 2p8i s PHE 3 CO -0.07 -1.50 -0.18 1.03 0.70 0.00 0.00 175.22 175.20 2p8i s ARG 4 N -0.80 1.76 0.36 0.44 0.52 -1.26 -5.14 118.95 114.83 2p8i s ARG 4 Ca 0.52 -1.20 -0.09 0.00 -0.52 0.00 0.00 55.73 54.43 2p8i s ARG 4 Cb -0.36 -2.09 -0.06 0.00 0.52 0.00 0.00 34.95 32.96 2p8i s ARG 4 CO 0.42 0.47 0.70 0.34 0.02 0.00 0.00 175.30 177.25 2p8i s ASP 5 N -2.18 6.54 0.13 0.23 -1.08 -1.26 -4.98 116.67 114.07 2p8i s ASP 5 Ca 0.18 1.03 0.13 0.00 -0.52 0.00 0.00 52.55 53.37 2p8i s ASP 5 Cb -0.10 -2.28 0.64 0.00 -1.46 0.00 0.00 42.92 39.72 2p8i s ASP 5 CO 0.10 -0.31 1.41 0.35 0.52 0.00 0.00 175.17 177.25 2p8i n THR 6 N -1.03 1.30 0.29 1.71 -2.24 -1.26 -1.62 114.28 111.43 2p8i n THR 6 Ca 0.01 0.46 0.12 0.00 -2.27 0.00 0.00 64.05 62.37 2p8i n THR 6 Cb 0.54 -1.39 0.58 0.00 -2.10 0.00 0.00 70.33 67.96 2p8i n THR 6 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2p8i h SER 7 N 0.00 0.00 0.77 3.42 4.64 -2.04 -1.67 113.55 118.67 2p8i h SER 7 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2p8i h SER 7 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2p8i h SER 7 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2p8i h ALA 8 N 2.12 1.00 -2.34 5.18 0.00 -1.70 -3.42 119.26 120.10 2p8i h ALA 8 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 2p8i h ALA 8 Cb 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.87 2p8i h ALA 8 CO 0.00 0.00 0.18 0.42 0.00 0.00 0.00 179.25 179.85 2p8i s ILE 9 N -3.56 4.89 0.07 0.00 1.01 -0.63 -4.45 121.20 118.54 2p8i s ILE 9 Ca 0.02 0.79 -0.15 0.00 0.00 0.00 0.00 60.65 61.30 2p8i s ILE 9 Cb 0.09 -4.06 -0.19 0.00 0.01 0.00 0.00 42.46 38.32 2p8i s ILE 9 CO 0.45 -0.24 1.24 0.00 0.00 0.00 0.00 174.94 176.40 2p8i h ALA 10 N 8.31 0.22 -2.44 9.38 0.00 -1.10 -3.46 119.26 130.17 2p8i h ALA 10 Ca -0.26 -0.60 0.14 0.00 0.00 0.00 0.00 54.91 54.19 2p8i h ALA 10 Cb 1.11 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 2p8i h ALA 10 CO 0.83 0.58 0.44 -1.54 0.00 0.00 0.00 179.25 179.57 2p8i s SER 11 N -7.02 -0.25 0.07 0.00 1.04 -1.23 -4.74 113.70 101.57 2p8i s SER 11 Ca -0.11 -0.32 0.05 0.00 0.48 0.00 0.00 55.95 56.05 2p8i s SER 11 Cb 0.07 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 2p8i s SER 11 CO 0.88 -0.90 -0.06 0.26 0.98 0.00 0.00 173.24 174.41 2p8i s TRP 12 N -3.35 2.86 -0.05 5.02 0.52 -0.15 -0.64 118.94 123.16 2p8i s TRP 12 Ca 0.10 -0.08 0.03 0.00 0.02 0.00 0.00 56.10 56.17 2p8i s TRP 12 Cb -0.02 -1.52 0.01 0.00 -1.15 0.00 0.00 33.47 30.79 2p8i s TRP 12 CO -0.00 0.43 -0.13 -1.01 0.02 0.00 0.00 176.95 176.25 2p8i s HIS 13 N -1.18 1.47 0.15 -1.98 3.76 -0.50 -1.46 115.29 115.55 2p8i s HIS 13 Ca 0.21 -0.49 0.11 0.00 -0.15 0.00 0.00 55.06 54.74 2p8i s HIS 13 Cb -0.11 -1.04 -0.04 0.00 1.11 0.00 0.00 32.58 32.49 2p8i s HIS 13 CO 0.13 -0.22 -0.24 0.00 -0.85 0.00 0.00 174.74 173.57 2p8i s ALA 14 N 0.40 2.51 -0.15 -1.40 0.00 0.65 -1.23 121.76 122.55 2p8i s ALA 14 Ca -0.10 -1.50 -0.02 0.00 0.00 0.00 0.00 51.96 50.34 2p8i s ALA 14 Cb -0.13 -0.43 0.05 0.00 0.00 0.00 0.00 23.12 22.60 2p8i s ALA 14 CO 0.03 0.51 0.01 -1.01 0.00 0.00 0.00 175.76 175.30 2p8i s HIS 15 N -1.29 1.03 -0.20 0.00 3.76 0.10 -0.36 115.29 118.33 2p8i s HIS 15 Ca 0.17 -0.68 -0.25 0.00 -0.15 0.00 0.00 55.06 54.15 2p8i s HIS 15 Cb -0.09 -1.01 -0.01 0.00 1.11 0.00 0.00 32.58 32.58 2p8i s HIS 15 CO 0.08 -0.53 0.82 0.08 -0.85 0.00 0.00 174.74 174.34 2p8i s VAL 16 N 1.86 4.87 0.05 -0.90 1.01 -0.20 -1.13 120.40 125.95 2p8i s VAL 16 Ca 0.01 1.57 -0.13 0.00 0.00 0.00 0.00 61.98 63.43 2p8i s VAL 16 Cb -0.15 -4.11 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 2p8i s VAL 16 CO -0.07 -0.01 0.43 -0.31 0.00 0.00 0.00 175.10 175.14 2p8i s TYR 17 N 2.42 3.67 0.33 5.22 2.02 -0.46 -2.02 117.35 128.53 2p8i s TYR 17 Ca 0.36 0.95 -0.11 0.00 -0.37 0.00 0.00 57.07 57.91 2p8i s TYR 17 Cb -0.16 -2.27 0.04 0.00 -0.40 0.00 0.00 41.96 39.18 2p8i s TYR 17 CO 0.10 0.57 0.63 1.97 -1.57 0.00 0.00 175.55 177.26 2p8i n PHE 18 N 1.39 -2.02 -3.60 2.71 -1.74 -0.41 -4.21 117.46 109.58 2p8i n PHE 18 Ca -0.11 -1.69 -0.04 0.00 -0.56 0.00 0.00 57.45 55.05 2p8i n PHE 18 Cb 0.52 0.74 -0.01 0.00 1.52 0.00 0.00 39.48 42.26 2p8i n PHE 18 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 2p8i n ASP 19 N -1.50 -0.51 -0.04 5.98 5.68 -1.26 -2.75 116.55 122.14 2p8i n ASP 19 Ca -0.06 -1.58 0.03 0.00 -0.50 0.00 0.00 54.79 52.67 2p8i n ASP 19 Cb 0.51 0.92 0.37 0.00 -1.14 0.00 0.00 41.12 41.78 2p8i n ASP 19 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2p8i h ALA 20 N 1.72 1.61 0.00 2.12 0.00 -2.00 -1.00 119.26 121.71 2p8i h ALA 20 Ca -0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2p8i h ALA 20 Cb 0.38 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2p8i h ALA 20 CO 0.12 0.34 -0.06 0.77 0.00 0.00 0.00 179.25 180.42 2p8i h SER 21 N 0.64 0.00 -0.05 0.00 0.02 -2.05 -3.05 113.55 109.06 2p8i h SER 21 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2p8i h SER 21 Cb -0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2p8i h SER 21 CO -0.03 0.06 0.00 -1.54 -1.14 0.00 0.00 176.83 174.18 2p8i n SER 22 N -3.20 2.61 -0.14 3.07 3.41 -0.59 -4.77 113.62 114.01 2p8i n SER 22 Ca 0.00 -3.05 -0.08 0.00 -0.26 0.00 0.00 58.87 55.49 2p8i n SER 22 Cb 0.31 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2p8i n SER 22 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2p8i h ARG 23 N 0.33 0.57 -0.51 4.33 2.43 -1.11 -1.09 114.38 119.33 2p8i h ARG 23 Ca 0.00 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 2p8i h ARG 23 Cb 1.06 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 2p8i h ARG 23 CO 0.04 0.41 0.07 -0.44 -1.51 0.00 0.00 179.97 178.54 2p8i h ASP 24 N 0.57 0.83 -0.71 -3.80 3.32 -1.86 -0.38 116.42 114.40 2p8i h ASP 24 Ca 0.16 -0.27 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 2p8i h ASP 24 Cb -0.03 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 2p8i h ASP 24 CO -0.03 0.89 0.22 0.00 -1.72 0.00 0.00 179.24 178.59 2p8i h ALA 25 N 0.97 1.03 -0.63 3.45 0.00 -1.86 -0.93 119.26 121.29 2p8i h ALA 25 Ca 0.15 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2p8i h ALA 25 Cb 0.42 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2p8i h ALA 25 CO 0.01 0.65 0.14 0.00 0.00 0.00 0.00 179.25 180.05 2p8i h ALA 26 N 1.16 0.84 -0.14 0.00 0.00 -0.94 -1.06 119.26 119.12 2p8i h ALA 26 Ca 0.23 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2p8i h ALA 26 Cb 0.31 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2p8i h ALA 26 CO -0.01 0.57 -0.02 2.35 0.00 0.00 0.00 179.25 182.14 2p8i h TRP 27 N 0.94 0.29 -0.61 0.00 2.91 -0.80 -1.88 115.95 116.80 2p8i h TRP 27 Ca 0.20 -0.06 0.09 0.00 1.13 0.00 0.00 58.89 60.25 2p8i h TRP 27 Cb 0.39 -0.07 -0.07 0.00 -0.51 0.00 0.00 29.16 28.89 2p8i h TRP 27 CO 0.03 0.52 0.25 1.15 -1.03 0.00 0.00 178.44 179.36 2p8i h THR 28 N -0.02 0.79 -0.68 2.65 2.02 -1.06 -0.41 112.91 116.21 2p8i h THR 28 Ca 0.04 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2p8i h THR 28 Cb 0.42 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 2p8i h THR 28 CO 0.01 0.08 0.38 0.25 0.37 0.00 0.00 175.52 176.61 2p8i h LEU 29 N 0.44 0.84 -0.38 2.58 5.85 -1.06 -1.21 115.31 122.35 2p8i h LEU 29 Ca 0.31 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 2p8i h LEU 29 Cb 0.36 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2p8i h LEU 29 CO -0.29 0.68 0.11 -0.09 -0.34 0.00 0.00 178.44 178.51 2p8i h ARG 30 N 0.92 0.61 -0.67 1.25 2.43 -0.67 0.00 114.38 118.26 2p8i h ARG 30 Ca 0.24 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2p8i h ARG 30 Cb 0.02 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 2p8i h ARG 30 CO -0.04 0.63 0.39 0.93 -1.51 0.00 0.00 179.97 180.37 2p8i h GLU 31 N 0.48 0.91 -0.34 0.20 4.39 -0.97 -1.16 114.58 118.08 2p8i h GLU 31 Ca 0.12 -0.08 -0.14 0.00 0.34 0.00 0.00 59.36 59.60 2p8i h GLU 31 Cb 0.29 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2p8i h GLU 31 CO -0.00 0.65 -0.34 1.96 -1.16 0.00 0.00 179.01 180.12 2p8i h GLN 32 N 0.92 0.76 -0.18 2.33 1.08 -0.64 -1.12 115.11 118.27 2p8i h GLN 32 Ca 0.24 -0.37 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 2p8i h GLN 32 Cb -0.01 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 2p8i h GLN 32 CO -0.04 0.99 0.09 0.82 -0.95 0.00 0.00 178.83 179.74 2p8i h ILE 33 N 0.64 1.12 -0.80 2.54 2.04 -0.69 0.23 117.51 122.59 2p8i h ILE 33 Ca 0.06 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.61 2p8i h ILE 33 Cb 0.88 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.94 2p8i h ILE 33 CO 0.08 0.12 0.51 -0.08 0.00 0.00 0.00 178.15 178.77 2p8i h GLU 34 N 0.17 0.95 -0.10 2.37 4.57 -0.98 -2.45 114.58 119.11 2p8i h GLU 34 Ca 0.06 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 58.08 2p8i h GLU 34 Cb 0.11 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 2p8i h GLU 34 CO -0.01 0.63 -0.35 0.00 -1.18 0.00 0.00 179.01 178.10 2p8i h ALA 35 N 1.34 0.18 -0.66 2.92 0.00 -1.02 0.01 119.26 122.03 2p8i h ALA 35 Ca 0.32 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2p8i h ALA 35 Cb 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2p8i h ALA 35 CO -0.12 0.25 0.20 1.25 0.00 0.00 0.00 179.25 180.82 2p8i h HIS 36 N -0.02 1.04 -0.69 0.00 -0.00 -0.40 -1.99 115.15 113.10 2p8i h HIS 36 Ca -0.01 -0.10 0.00 0.00 -0.00 0.00 0.00 60.37 60.26 2p8i h HIS 36 Cb 0.97 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 28.08 2p8i h HIS 36 CO 0.12 0.84 0.00 0.91 -0.00 0.00 0.00 177.93 179.79 2p8i n TRP 37 N -4.26 1.09 -3.92 5.26 8.01 -0.94 -4.98 117.44 117.70 2p8i n TRP 37 Ca 0.05 -0.53 -0.30 0.00 -1.31 0.00 0.00 57.50 55.41 2p8i n TRP 37 Cb 0.22 -0.07 0.02 0.00 -2.01 0.00 0.00 31.31 29.48 2p8i n TRP 37 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 2p8i n SER 38 N 1.44 -4.73 0.00 -0.99 7.64 -0.57 -1.02 113.62 115.40 2p8i n SER 38 Ca 0.24 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 59.34 2p8i n SER 38 Cb 0.69 -3.86 0.00 0.00 -1.01 0.00 0.00 64.21 60.03 2p8i n SER 38 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2p8i n GLY 39 N -1.69 0.36 0.06 0.23 0.00 -0.12 -4.89 105.19 99.15 2p8i n GLY 39 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 2p8i n GLY 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2p8i n LYS 40 N -1.64 0.21 -2.56 1.61 5.02 -0.19 -4.81 118.16 115.80 2p8i n LYS 40 Ca 0.00 0.11 -0.26 0.00 -2.02 0.00 0.00 58.31 56.14 2p8i n LYS 40 Cb 0.16 -1.68 0.03 0.00 -0.02 0.00 0.00 35.03 33.51 2p8i n LYS 40 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2p8i s LEU 41 N -4.02 3.35 -0.42 -0.35 1.43 -1.26 -5.06 118.68 112.35 2p8i s LEU 41 Ca 0.09 0.59 -0.19 0.00 -1.03 0.00 0.00 54.13 53.60 2p8i s LEU 41 Cb 0.14 -3.44 0.02 0.00 0.03 0.00 0.00 46.19 42.95 2p8i s LEU 41 CO 0.65 -0.96 0.52 -1.10 0.23 0.00 0.00 176.35 175.69 2p8i s GLN 42 N -4.86 3.20 -0.20 1.70 -1.52 -1.00 -4.96 119.66 112.02 2p8i s GLN 42 Ca 0.52 -0.58 -0.04 0.00 -1.95 0.00 0.00 55.36 53.32 2p8i s GLN 42 Cb -0.10 -3.95 -0.02 0.00 -0.22 0.00 0.00 33.01 28.72 2p8i s GLN 42 CO 0.43 -0.90 -0.04 -1.17 -0.25 0.00 0.00 175.29 173.36 2p8i s LEU 43 N 2.41 3.01 0.00 2.90 2.96 -1.26 -0.45 118.68 128.25 2p8i s LEU 43 Ca 0.16 -0.31 -0.10 0.00 -0.22 0.00 0.00 54.13 53.67 2p8i s LEU 43 Cb -0.16 -1.75 0.17 0.00 0.50 0.00 0.00 46.19 44.95 2p8i s LEU 43 CO 0.16 0.04 1.07 0.61 -1.32 0.00 0.00 176.35 176.90 2p8i n GLY 44 N 4.39 -0.74 3.76 7.98 0.00 0.07 -5.01 105.19 115.64 2p8i n GLY 44 Ca -0.18 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 2p8i n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p8i s ARG 45 N -5.28 3.04 -0.70 1.61 0.52 -1.26 -4.57 118.95 112.31 2p8i s ARG 45 Ca 0.63 1.75 -0.25 0.00 -0.52 0.00 0.00 55.73 57.34 2p8i s ARG 45 Cb -0.02 -1.95 0.05 0.00 0.52 0.00 0.00 34.95 33.55 2p8i s ARG 45 CO 0.44 -1.13 1.12 0.12 0.02 0.00 0.00 175.30 175.87 2p8i s PHE 46 N -1.69 2.48 -0.39 -0.53 5.36 -1.26 -4.36 117.98 117.58 2p8i s PHE 46 Ca 0.76 -0.30 -0.17 0.00 -0.96 0.00 0.00 56.93 56.26 2p8i s PHE 46 Cb -0.28 -4.46 0.01 0.00 -0.34 0.00 0.00 43.02 37.95 2p8i s PHE 46 CO 0.32 -1.86 0.45 -1.01 -1.46 0.00 0.00 175.22 171.66 2p8i s HIS 47 N 4.90 3.17 -0.47 10.12 3.76 -0.46 -4.93 115.29 131.37 2p8i s HIS 47 Ca 0.29 -0.17 -0.03 0.00 -0.15 0.00 0.00 55.06 55.00 2p8i s HIS 47 Cb -0.12 -2.89 0.18 0.00 1.11 0.00 0.00 32.58 30.85 2p8i s HIS 47 CO 0.13 -0.63 2.40 0.39 -0.85 0.00 0.00 174.74 176.17 2p8i n GLU 48 N 5.64 2.28 -3.57 1.40 1.02 -1.26 -1.49 120.64 124.67 2p8i n GLU 48 Ca -0.07 -2.32 -0.13 0.00 -0.02 0.00 0.00 57.16 54.62 2p8i n GLU 48 Cb 0.48 -2.01 -0.05 0.00 -0.02 0.00 0.00 31.44 29.84 2p8i n GLU 48 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2p8i s ARG 49 N -2.19 1.07 0.09 3.49 1.70 -1.26 -4.98 118.95 116.87 2p8i s ARG 49 Ca 0.50 -0.36 -0.31 0.00 -0.47 0.00 0.00 55.73 55.09 2p8i s ARG 49 Cb 0.36 0.49 -0.07 0.00 -0.57 0.00 0.00 34.95 35.15 2p8i s ARG 49 CO -0.15 -0.41 1.38 -1.25 -1.08 0.00 0.00 175.30 173.79 2p8i s PRO 50 N -2.89 4.32 0.19 3.89 0.04 -1.26 -4.28 135.00 135.01 2p8i s PRO 50 Ca -0.03 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.13 2p8i s PRO 50 Cb -0.00 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 2p8i s PRO 50 CO -0.05 -0.45 -0.17 0.14 0.04 0.00 0.00 177.00 176.51 2p8i s VAL 51 N 1.37 1.83 0.00 -0.36 -7.23 -1.26 -4.99 120.40 109.75 2p8i s VAL 51 Ca 0.64 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 2p8i s VAL 51 Cb -0.35 -1.95 0.00 0.00 0.56 0.00 0.00 36.38 34.63 2p8i s VAL 51 CO 0.30 -0.44 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 2p8i n GLY 52 N -0.05 2.53 0.23 2.32 0.00 -1.26 -1.29 105.19 107.67 2p8i n GLY 52 Ca -0.10 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 45.77 2p8i n GLY 52 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2p8i n PRO 53 N 14.00 1.30 -3.13 1.61 -0.04 -1.26 -4.82 135.00 142.65 2p8i n PRO 53 Ca 0.00 -0.45 -0.39 0.00 -0.04 0.00 0.00 63.50 62.62 2p8i n PRO 53 Cb 0.00 -1.25 -0.06 0.00 -0.04 0.00 0.00 33.50 32.15 2p8i n PRO 53 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2p8i s HIS 54 N -1.88 3.83 -1.53 0.54 3.76 -0.41 -0.71 115.29 118.90 2p8i s HIS 54 Ca 0.22 1.42 0.02 0.00 -0.15 0.00 0.00 55.06 56.58 2p8i s HIS 54 Cb 0.11 -2.63 0.09 0.00 1.11 0.00 0.00 32.58 31.25 2p8i s HIS 54 CO 0.17 0.52 0.88 -0.35 -0.85 0.00 0.00 174.74 175.11 2p8i n PRO 55 N 1.82 1.31 -2.38 8.40 -0.04 -1.26 -4.29 135.00 138.56 2p8i n PRO 55 Ca -0.08 -0.34 -0.35 0.00 -0.04 0.00 0.00 63.50 62.69 2p8i n PRO 55 Cb 0.50 -1.30 -0.02 0.00 -0.04 0.00 0.00 33.50 32.65 2p8i n PRO 55 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2p8i s TRP 57 N -1.59 2.87 0.21 0.54 0.52 -1.11 -4.93 118.94 115.45 2p8i s TRP 57 Ca 0.06 1.56 -0.23 0.00 0.02 0.00 0.00 56.10 57.52 2p8i s TRP 57 Cb 0.04 -3.22 0.05 0.00 -1.15 0.00 0.00 33.47 29.19 2p8i s TRP 57 CO 0.03 -1.22 0.69 -1.54 0.02 0.00 0.00 176.95 174.93 2p8i s SER 58 N -1.75 -0.39 0.04 2.95 1.04 -0.56 -1.29 113.70 113.75 2p8i s SER 58 Ca 0.68 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.81 2p8i s SER 58 Cb -0.22 0.64 -0.03 0.00 0.10 0.00 0.00 66.02 66.51 2p8i s SER 58 CO 0.26 -1.12 -0.04 -0.72 0.98 0.00 0.00 173.24 172.60 2p8i s TYR 59 N -3.77 0.47 0.02 5.02 -0.85 -0.85 -1.35 117.35 116.03 2p8i s TYR 59 Ca 0.06 -0.71 0.01 0.00 -0.52 0.00 0.00 57.07 55.92 2p8i s TYR 59 Cb -0.03 -0.32 -0.04 0.00 0.38 0.00 0.00 41.96 41.95 2p8i s TYR 59 CO -0.03 -0.22 0.04 -1.14 -1.52 0.00 0.00 175.55 172.68 2p8i s GLN 60 N -2.38 2.86 -0.01 -3.49 0.74 -1.26 -1.04 119.66 115.08 2p8i s GLN 60 Ca -0.06 -0.60 0.04 0.00 0.05 0.00 0.00 55.36 54.79 2p8i s GLN 60 Cb -0.04 -2.72 -0.01 0.00 1.10 0.00 0.00 33.01 31.34 2p8i s GLN 60 CO -0.04 0.62 -0.14 -0.51 -0.55 0.00 0.00 175.29 174.67 2p8i s LEU 61 N -1.79 2.02 0.06 3.68 1.43 0.51 -0.75 118.68 123.85 2p8i s LEU 61 Ca 0.22 -0.26 0.06 0.00 -1.03 0.00 0.00 54.13 53.13 2p8i s LEU 61 Cb -0.12 -0.73 -0.03 0.00 0.03 0.00 0.00 46.19 45.35 2p8i s LEU 61 CO 0.14 0.17 -0.17 0.00 0.23 0.00 0.00 176.35 176.72 2p8i s ALA 62 N -0.32 1.45 0.21 4.21 0.00 0.40 -0.25 121.76 127.45 2p8i s ALA 62 Ca 0.05 -1.01 -0.23 0.00 0.00 0.00 0.00 51.96 50.77 2p8i s ALA 62 Cb -0.06 -0.21 0.05 0.00 0.00 0.00 0.00 23.12 22.90 2p8i s ALA 62 CO -0.01 0.28 0.82 -0.59 0.00 0.00 0.00 175.76 176.26 2p8i s PHE 63 N -1.01 -0.20 0.50 0.00 -0.71 -0.54 -2.37 117.98 113.66 2p8i s PHE 63 Ca 0.03 -0.16 -0.03 0.00 -1.04 0.00 0.00 56.93 55.73 2p8i s PHE 63 Cb -0.09 0.66 -0.01 0.00 -1.21 0.00 0.00 43.02 42.38 2p8i s PHE 63 CO 0.02 -1.01 0.76 0.95 -1.34 0.00 0.00 175.22 174.61 2p8i s THR 64 N -3.61 4.06 0.53 -4.49 -4.23 -1.26 -0.97 115.64 105.67 2p8i s THR 64 Ca 0.10 -0.22 0.23 0.00 -1.18 0.00 0.00 61.69 60.63 2p8i s THR 64 Cb -0.04 -3.55 0.37 0.00 1.34 0.00 0.00 72.50 70.63 2p8i s THR 64 CO 0.03 -0.47 2.03 -0.61 -0.54 0.00 0.00 174.62 175.06 2p8i h GLN 65 N 0.19 0.00 0.00 3.99 5.75 -1.89 -1.46 115.11 121.69 2p8i h GLN 65 Ca -0.46 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 2p8i h GLN 65 Cb 1.25 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.79 2p8i h GLN 65 CO 0.59 0.00 0.00 0.93 -2.65 0.00 0.00 178.83 177.70 2p8i h GLU 66 N 0.00 0.00 -0.00 1.69 3.07 -1.99 -2.97 114.58 114.38 2p8i h GLU 66 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 2p8i h GLU 66 Cb 0.81 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 2p8i h GLU 66 CO -0.00 0.00 -0.78 1.04 -1.40 0.00 0.00 179.01 177.86 2p8i n GLN 67 N -2.34 0.16 -0.05 2.33 6.02 -0.62 -4.65 117.38 118.23 2p8i n GLN 67 Ca 0.05 -0.12 -0.10 0.00 -0.01 0.00 0.00 57.00 56.81 2p8i n GLN 67 Cb 0.41 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.14 2p8i n GLN 67 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 2p8i h PHE 68 N 0.31 0.27 -0.37 1.08 3.57 -1.20 -1.11 116.94 119.50 2p8i h PHE 68 Ca 0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2p8i h PHE 68 Cb 0.53 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 2p8i h PHE 68 CO 0.00 0.20 0.07 0.00 -2.23 0.00 0.00 178.31 176.34 2p8i h ALA 69 N 1.05 0.49 -0.08 2.41 0.00 -1.83 0.15 119.26 121.45 2p8i h ALA 69 Ca 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2p8i h ALA 69 Cb -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2p8i h ALA 69 CO -0.02 0.19 0.03 0.22 0.00 0.00 0.00 179.25 179.67 2p8i h ASP 70 N 0.45 0.11 -0.20 0.00 3.58 -1.85 -0.96 116.42 117.56 2p8i h ASP 70 Ca 0.11 -0.19 -0.06 0.00 0.42 0.00 0.00 57.03 57.31 2p8i h ASP 70 Cb 0.35 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.36 2p8i h ASP 70 CO 0.01 0.28 -0.11 0.25 -2.88 0.00 0.00 179.24 176.78 2p8i h LEU 71 N -0.05 0.45 -0.57 2.28 5.85 -1.12 -0.72 115.31 121.42 2p8i h LEU 71 Ca 0.03 -0.42 -0.13 0.00 0.84 0.00 0.00 57.88 58.19 2p8i h LEU 71 Cb 0.20 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2p8i h LEU 71 CO -0.00 0.77 -0.26 0.58 -0.34 0.00 0.00 178.44 179.19 2p8i h VAL 72 N 0.12 1.27 -0.25 1.05 2.07 -1.02 0.99 116.25 120.49 2p8i h VAL 72 Ca 0.04 -1.41 0.02 0.00 0.82 0.00 0.00 66.70 66.17 2p8i h VAL 72 Cb 0.61 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 2p8i h VAL 72 CO 0.03 0.47 0.12 1.23 0.02 0.00 0.00 177.57 179.45 2p8i h GLY 73 N 0.92 0.34 0.92 2.17 0.00 -1.12 -0.04 103.07 106.25 2p8i h GLY 73 Ca 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 2p8i h GLY 73 CO 0.07 0.07 0.09 -0.25 0.00 0.00 0.00 176.54 176.52 2p8i h TRP 74 N 0.26 0.61 -0.57 5.60 7.01 -0.80 -2.09 115.95 125.98 2p8i h TRP 74 Ca 0.10 -0.07 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 2p8i h TRP 74 Cb 0.03 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 26.89 2p8i h TRP 74 CO -0.10 0.61 0.23 -0.07 -2.79 0.00 0.00 178.44 176.32 2p8i h LEU 75 N 0.44 0.76 -1.28 0.65 3.38 -0.69 -0.83 115.31 117.74 2p8i h LEU 75 Ca 0.12 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2p8i h LEU 75 Cb 0.30 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2p8i h LEU 75 CO 0.00 0.68 0.33 0.74 0.09 0.00 0.00 178.44 180.28 2p8i h THR 76 N 0.82 1.18 0.00 0.22 2.02 -0.69 -0.33 112.91 116.13 2p8i h THR 76 Ca 0.20 -0.45 -0.13 0.00 0.77 0.00 0.00 66.41 66.79 2p8i h THR 76 Cb 0.16 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2p8i h THR 76 CO -0.02 0.20 -0.63 -0.07 0.37 0.00 0.00 175.52 175.38 2p8i h LEU 77 N 0.83 0.00 -1.90 2.58 3.38 -0.83 -3.39 115.31 115.98 2p8i h LEU 77 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2p8i h LEU 77 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2p8i h LEU 77 CO -0.04 0.63 0.00 0.59 0.09 0.00 0.00 178.44 179.71 2p8i n ASN 78 N -3.27 1.43 0.20 -0.43 3.02 -0.37 -4.69 115.26 111.16 2p8i n ASN 78 Ca 0.01 -1.46 0.14 0.00 -0.03 0.00 0.00 54.58 53.25 2p8i n ASN 78 Cb 0.78 0.00 0.48 0.00 -0.61 0.00 0.00 39.78 40.43 2p8i n ASN 78 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 2p8i h HIS 79 N 0.00 0.00 0.00 3.10 2.07 -1.26 -3.49 115.15 115.57 2p8i h HIS 79 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2p8i h HIS 79 Cb 0.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.23 2p8i h HIS 79 CO 0.00 0.00 0.00 0.41 -3.07 0.00 0.00 177.93 175.27 2p8i n GLY 80 N 0.46 3.46 1.35 6.13 0.00 -1.26 -2.19 105.19 113.14 2p8i n GLY 80 Ca 0.03 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.02 2p8i n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p8i n ALA 81 N 11.95 2.81 -2.64 4.61 0.00 -1.26 -4.92 120.51 131.06 2p8i n ALA 81 Ca 0.00 -1.30 -0.40 0.00 0.00 0.00 0.00 53.44 51.75 2p8i n ALA 81 Cb 0.00 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 2p8i n ALA 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2p8i s LEU 82 N -1.43 4.10 0.29 0.00 1.43 -0.93 -5.04 118.68 117.09 2p8i s LEU 82 Ca 0.44 0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 53.88 2p8i s LEU 82 Cb 0.27 -2.70 -0.09 0.00 0.03 0.00 0.00 46.19 43.69 2p8i s LEU 82 CO 0.25 -0.23 1.05 -1.81 0.23 0.00 0.00 176.35 175.84 2p8i s ASP 83 N 1.32 7.30 -0.11 2.29 1.01 -1.26 -4.78 116.67 122.44 2p8i s ASP 83 Ca 0.23 2.16 0.01 0.00 0.71 0.00 0.00 52.55 55.66 2p8i s ASP 83 Cb -0.15 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.18 2p8i s ASP 83 CO 0.09 -0.11 -0.11 -0.63 0.21 0.00 0.00 175.17 174.62 2p8i s ILE 84 N -1.23 1.26 -0.11 0.77 1.01 -0.43 -1.36 121.20 121.11 2p8i s ILE 84 Ca 0.45 -0.47 -0.19 0.00 0.00 0.00 0.00 60.65 60.44 2p8i s ILE 84 Cb -0.29 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 2p8i s ILE 84 CO 0.37 0.40 0.52 0.12 0.00 0.00 0.00 174.94 176.35 2p8i s PHE 85 N 1.28 3.53 0.05 3.97 5.36 -0.28 -0.73 117.98 131.16 2p8i s PHE 85 Ca -0.02 0.95 0.05 0.00 -0.96 0.00 0.00 56.93 56.96 2p8i s PHE 85 Cb -0.14 -2.60 -0.02 0.00 -0.34 0.00 0.00 43.02 39.92 2p8i s PHE 85 CO -0.05 0.16 -0.14 -0.51 -1.46 0.00 0.00 175.22 173.22 2p8i s LEU 86 N 0.64 2.21 -0.01 6.12 1.02 0.46 0.01 118.68 129.14 2p8i s LEU 86 Ca 0.28 -0.52 -0.23 0.00 0.02 0.00 0.00 54.13 53.68 2p8i s LEU 86 Cb -0.16 -0.58 0.05 0.00 0.02 0.00 0.00 46.19 45.53 2p8i s LEU 86 CO 0.12 -0.01 0.50 -1.38 0.02 0.00 0.00 176.35 175.60 2p8i s HIS 87 N -1.02 -0.41 0.54 0.29 -3.43 -0.37 -0.62 115.29 110.28 2p8i s HIS 87 Ca 0.00 0.61 -0.16 0.00 -0.80 0.00 0.00 55.06 54.71 2p8i s HIS 87 Cb -0.09 0.28 -0.06 0.00 -1.43 0.00 0.00 32.58 31.28 2p8i s HIS 87 CO 0.02 -0.55 1.01 -1.25 -2.00 0.00 0.00 174.74 171.97 2p8i s PRO 88 N -1.67 3.74 -0.36 -0.38 0.04 -1.26 -1.41 135.00 133.70 2p8i s PRO 88 Ca -0.10 1.02 -0.08 0.00 0.04 0.00 0.00 61.00 61.88 2p8i s PRO 88 Cb -0.02 -2.10 0.05 0.00 0.04 0.00 0.00 34.50 32.47 2p8i s PRO 88 CO 0.04 -0.45 0.16 1.21 0.04 0.00 0.00 177.00 178.00 2p8i s ASN 89 N -3.05 5.46 0.00 6.66 2.47 0.19 -4.79 114.94 121.88 2p8i s ASN 89 Ca 0.60 -1.20 0.09 0.00 0.42 0.00 0.00 52.86 52.77 2p8i s ASN 89 Cb -0.12 -1.92 0.19 0.00 -1.45 0.00 0.00 41.25 37.96 2p8i s ASN 89 CO 0.34 -0.38 1.07 0.35 -3.72 0.00 0.00 177.10 174.76 2p8i n THR 90 N 4.86 0.66 -0.30 -5.21 -2.24 -1.26 -0.58 114.28 110.21 2p8i n THR 90 Ca -0.12 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 2p8i n THR 90 Cb 0.45 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 2p8i n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2p8i n GLY 91 N 0.41 0.70 2.63 3.38 0.00 -1.26 -4.95 105.19 106.10 2p8i n GLY 91 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2p8i n GLY 91 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2p8i s ASP 92 N -2.77 3.38 0.20 1.61 -1.08 -1.26 -5.02 116.67 111.73 2p8i s ASP 92 Ca 0.00 -2.56 -0.11 0.00 -0.52 0.00 0.00 52.55 49.36 2p8i s ASP 92 Cb 0.00 -0.84 0.17 0.00 -1.46 0.00 0.00 42.92 40.79 2p8i s ASP 92 CO 0.00 -0.27 1.82 0.00 0.52 0.00 0.00 175.17 177.24 2p8i h ALA 93 N 6.72 0.81 -0.20 3.66 0.00 -1.96 0.38 119.26 128.66 2p8i h ALA 93 Ca 0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2p8i h ALA 93 Cb 0.93 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2p8i h ALA 93 CO 0.42 0.08 0.04 1.25 0.00 0.00 0.00 179.25 181.04 2p8i h LEU 94 N 0.70 0.32 -0.43 0.00 5.85 -1.95 -0.89 115.31 118.92 2p8i h LEU 94 Ca 0.26 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2p8i h LEU 94 Cb 0.07 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2p8i h LEU 94 CO -0.13 0.49 0.26 -0.09 -0.34 0.00 0.00 178.44 178.64 2p8i h ARG 95 N 0.14 0.52 -0.61 1.25 2.43 -1.86 0.04 114.38 116.27 2p8i h ARG 95 Ca 0.06 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2p8i h ARG 95 Cb 0.31 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 2p8i h ARG 95 CO 0.00 0.34 0.35 -0.44 -1.51 0.00 0.00 179.97 178.71 2p8i h ASP 96 N 0.53 0.76 0.39 -3.80 3.32 -0.75 0.28 116.42 117.16 2p8i h ASP 96 Ca 0.17 -0.08 -0.23 0.00 0.02 0.00 0.00 57.03 56.90 2p8i h ASP 96 Cb -0.02 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.35 2p8i h ASP 96 CO -0.06 0.62 -1.00 0.45 -1.72 0.00 0.00 179.24 177.53 2p8i h HIS 97 N 0.83 0.58 -0.04 4.55 3.86 -0.96 -2.04 115.15 121.94 2p8i h HIS 97 Ca 0.22 -0.34 -0.13 0.00 -1.16 0.00 0.00 60.37 58.96 2p8i h HIS 97 Cb 0.02 -0.06 0.01 0.00 1.06 0.00 0.00 27.41 28.44 2p8i h HIS 97 CO -0.01 1.17 -0.47 -0.09 0.86 0.00 0.00 177.93 179.39 2p8i h ARG 98 N 0.20 0.39 0.00 2.45 2.43 -0.93 -3.38 114.38 115.54 2p8i h ARG 98 Ca -0.09 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2p8i h ARG 98 Cb 1.65 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.29 2p8i h ARG 98 CO 0.17 1.02 -0.96 -0.25 -1.51 0.00 0.00 179.97 178.44 2p8i n ASP 99 N -4.30 1.46 -0.81 -3.80 8.00 0.08 -4.64 116.55 112.53 2p8i n ASP 99 Ca -0.09 -0.39 0.05 0.00 0.71 0.00 0.00 54.79 55.06 2p8i n ASP 99 Cb 0.60 1.23 0.17 0.00 -0.02 0.00 0.00 41.12 43.10 2p8i n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2p8i n ALA 100 N -1.54 3.43 -1.80 2.24 0.00 -0.77 -5.03 120.51 117.03 2p8i n ALA 100 Ca 0.00 -3.12 -0.41 0.00 0.00 0.00 0.00 53.44 49.91 2p8i n ALA 100 Cb 0.22 -0.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 2p8i n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2p8i s ALA 101 N -2.60 3.45 0.03 0.00 0.00 -1.22 -4.25 121.76 117.17 2p8i s ALA 101 Ca 0.37 1.06 0.05 0.00 0.00 0.00 0.00 51.96 53.44 2p8i s ALA 101 Cb 0.37 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 2p8i s ALA 101 CO -0.09 -0.39 -0.15 0.08 0.00 0.00 0.00 175.76 175.21 2p8i s VAL 102 N -0.97 1.19 -0.04 0.00 1.01 0.21 -5.00 120.40 116.80 2p8i s VAL 102 Ca 0.48 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2p8i s VAL 102 Cb -0.35 -1.06 0.03 0.00 0.00 0.00 0.00 36.38 34.99 2p8i s VAL 102 CO 0.45 0.07 -0.01 0.26 0.00 0.00 0.00 175.10 175.87 2p8i s TRP 103 N -0.78 0.51 -0.34 5.22 0.52 -1.26 -0.40 118.94 122.40 2p8i s TRP 103 Ca 0.03 -0.09 -0.18 0.00 0.02 0.00 0.00 56.10 55.88 2p8i s TRP 103 Cb -0.08 -0.56 -0.01 0.00 -1.15 0.00 0.00 33.47 31.68 2p8i s TRP 103 CO 0.01 -0.18 0.52 0.42 0.02 0.00 0.00 176.95 177.73 2p8i s ILE 104 N 1.18 5.02 0.00 2.03 1.01 0.09 -4.74 121.20 125.78 2p8i s ILE 104 Ca -0.07 0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.97 2p8i s ILE 104 Cb -0.14 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.38 2p8i s ILE 104 CO -0.02 -0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.34 2p8i n GLY 105 N 4.76 0.94 3.39 6.18 0.00 -1.26 -1.31 105.19 117.88 2p8i n GLY 105 Ca -0.05 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 2p8i n GLY 105 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2p8i s HIS 106 N 0.00 2.35 0.48 1.61 3.76 -1.26 -5.08 115.29 117.15 2p8i s HIS 106 Ca 0.00 -0.37 -0.19 0.00 -0.15 0.00 0.00 55.06 54.35 2p8i s HIS 106 Cb 0.00 -1.31 -0.09 0.00 1.11 0.00 0.00 32.58 32.29 2p8i s HIS 106 CO 0.00 0.28 0.97 -1.54 -0.85 0.00 0.00 174.74 173.61 2p8i s SER 107 N -1.82 6.75 0.17 1.40 1.04 -1.26 -4.74 113.70 115.24 2p8i s SER 107 Ca 0.14 1.64 0.06 0.00 0.48 0.00 0.00 55.95 58.27 2p8i s SER 107 Cb -0.10 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.45 2p8i s SER 107 CO 0.05 -0.50 -0.13 -1.00 0.98 0.00 0.00 173.24 172.65 2p8i s HIS 108 N -2.40 1.50 0.43 5.02 3.76 -1.26 -5.14 115.29 117.20 2p8i s HIS 108 Ca 0.61 -0.65 -0.22 0.00 -0.15 0.00 0.00 55.06 54.65 2p8i s HIS 108 Cb -0.10 -0.73 -0.10 0.00 1.11 0.00 0.00 32.58 32.76 2p8i s HIS 108 CO 0.23 0.23 0.98 -2.00 -0.85 0.00 0.00 174.74 173.33 2p8i s GLU 109 N -3.59 4.16 0.21 1.40 2.12 -1.26 -5.07 118.70 116.67 2p8i s GLU 109 Ca 0.19 1.25 0.08 0.00 0.36 0.00 0.00 54.97 56.85 2p8i s GLU 109 Cb 0.00 -2.28 -0.04 0.00 0.26 0.00 0.00 34.13 32.07 2p8i s GLU 109 CO 0.04 -0.10 0.01 -0.51 -0.54 0.00 0.00 175.26 174.16 2p8i s LEU 110 N -3.04 3.29 -1.18 2.70 1.43 -1.26 -4.48 118.68 116.14 2p8i s LEU 110 Ca 0.61 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 53.10 2p8i s LEU 110 Cb -0.14 -1.90 0.19 0.00 0.03 0.00 0.00 46.19 44.38 2p8i s LEU 110 CO 0.18 0.05 1.36 -0.69 0.23 0.00 0.00 176.35 177.48 2p8i s VAL 111 N -1.95 5.18 0.44 -1.59 1.01 0.12 -4.85 120.40 118.76 2p8i s VAL 111 Ca 0.29 -2.72 0.20 0.00 0.00 0.00 0.00 61.98 59.75 2p8i s VAL 111 Cb -0.08 -4.85 0.23 0.00 0.00 0.00 0.00 36.38 31.68 2p8i s VAL 111 CO 0.19 -1.54 2.03 -0.07 0.00 0.00 0.00 175.10 175.71 2p8i h LEU 112 N 9.23 0.00 -2.65 3.92 3.38 -1.96 -1.44 115.31 125.79 2p8i h LEU 112 Ca 0.29 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.26 2p8i h LEU 112 Cb 0.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2p8i h LEU 112 CO 1.20 0.16 0.07 0.77 0.09 0.00 0.00 178.44 180.73 2p8i h SER 113 N 0.00 0.00 0.78 -0.43 4.64 -1.98 -1.27 113.55 115.30 2p8i h SER 113 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2p8i h SER 113 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2p8i h SER 113 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 2p8i h ALA 114 N 1.88 1.00 0.00 5.18 0.00 -1.58 -3.52 119.26 122.22 2p8i h ALA 114 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2p8i h ALA 114 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2p8i h ALA 114 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53