#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 -0.11 0.29 2.61 2.01 -1.26 -5.27 115.64 113.92 2p8i s THR 2 Ca 0.00 0.28 -0.29 0.00 0.31 0.00 0.00 61.69 62.00 2p8i s THR 2 Cb 0.00 -0.18 -0.09 0.00 0.01 0.00 0.00 72.50 72.24 2p8i s THR 2 CO 0.00 0.12 1.09 -0.36 -0.69 0.00 0.00 174.62 174.78 2p8i s PHE 3 N 1.59 3.55 0.18 4.92 0.40 -1.26 -5.05 117.98 122.31 2p8i s PHE 3 Ca -0.04 1.70 0.10 0.00 -0.60 0.00 0.00 56.93 58.09 2p8i s PHE 3 Cb -0.12 -3.25 -0.04 0.00 0.51 0.00 0.00 43.02 40.11 2p8i s PHE 3 CO -0.04 -0.52 -0.16 1.03 0.70 0.00 0.00 175.22 176.23 2p8i s ARG 4 N -1.58 1.84 0.41 0.44 0.52 -1.26 -5.14 118.95 114.18 2p8i s ARG 4 Ca 0.46 -1.35 -0.06 0.00 -0.52 0.00 0.00 55.73 54.26 2p8i s ARG 4 Cb -0.30 -2.04 -0.05 0.00 0.52 0.00 0.00 34.95 33.07 2p8i s ARG 4 CO 0.39 0.43 0.71 -0.51 0.02 0.00 0.00 175.30 176.34 2p8i s ASP 5 N -2.70 6.38 0.45 0.23 1.01 -1.26 -4.98 116.67 115.80 2p8i s ASP 5 Ca 0.23 0.90 0.31 0.00 0.71 0.00 0.00 52.55 54.69 2p8i s ASP 5 Cb -0.09 -2.23 1.38 0.00 1.01 0.00 0.00 42.92 42.99 2p8i s ASP 5 CO 0.13 -0.42 1.92 0.71 0.21 0.00 0.00 175.17 177.71 2p8i h THR 6 N 0.75 0.00 0.00 -1.27 1.35 -2.01 -1.19 112.91 110.55 2p8i h THR 6 Ca -0.47 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 2p8i h THR 6 Cb 1.20 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 2p8i h THR 6 CO 0.63 0.00 0.00 0.77 -0.25 0.00 0.00 175.52 176.67 2p8i h SER 7 N 0.00 0.00 0.40 5.36 4.64 -2.05 -0.70 113.55 121.20 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 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 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 2.00 1.00 -2.38 5.18 0.00 -1.60 -3.42 119.26 120.04 2p8i h ALA 8 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 2p8i h ALA 8 Cb 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.67 2p8i h ALA 8 CO 0.00 0.00 0.11 0.42 0.00 0.00 0.00 179.25 179.78 2p8i s ILE 9 N -3.72 4.93 0.08 0.00 1.01 -0.27 -4.44 121.20 118.79 2p8i s ILE 9 Ca -0.01 0.64 -0.01 0.00 0.00 0.00 0.00 60.65 61.27 2p8i s ILE 9 Cb 0.10 -4.02 -0.27 0.00 0.01 0.00 0.00 42.46 38.28 2p8i s ILE 9 CO 0.39 -0.23 1.14 0.00 0.00 0.00 0.00 174.94 176.24 2p8i h ALA 10 N 8.36 0.18 -2.31 9.38 0.00 -1.21 -3.47 119.26 130.19 2p8i h ALA 10 Ca -0.27 -0.92 0.22 0.00 0.00 0.00 0.00 54.91 53.94 2p8i h ALA 10 Cb 1.12 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 2p8i h ALA 10 CO 0.81 1.06 0.67 -1.54 0.00 0.00 0.00 179.25 180.25 2p8i s SER 11 N -7.02 -0.02 0.13 0.00 1.04 -1.24 -4.70 113.70 101.90 2p8i s SER 11 Ca -0.03 -0.49 0.08 0.00 0.48 0.00 0.00 55.95 55.99 2p8i s SER 11 Cb 0.08 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 2p8i s SER 11 CO 0.87 -0.76 -0.18 0.26 0.98 0.00 0.00 173.24 174.41 2p8i s TRP 12 N -2.29 1.68 -0.04 5.02 0.52 -0.15 -0.63 118.94 123.06 2p8i s TRP 12 Ca 0.22 -0.46 0.07 0.00 0.02 0.00 0.00 56.10 55.94 2p8i s TRP 12 Cb -0.01 -0.89 -0.02 0.00 -1.15 0.00 0.00 33.47 31.41 2p8i s TRP 12 CO 0.03 0.23 -0.26 -1.01 0.02 0.00 0.00 176.95 175.96 2p8i s HIS 13 N -1.66 2.38 0.06 -1.98 3.76 -0.72 -1.83 115.29 115.30 2p8i s HIS 13 Ca 0.09 -0.57 0.10 0.00 -0.15 0.00 0.00 55.06 54.53 2p8i s HIS 13 Cb -0.08 -1.54 -0.03 0.00 1.11 0.00 0.00 32.58 32.04 2p8i s HIS 13 CO 0.05 -0.12 -0.27 0.00 -0.85 0.00 0.00 174.74 173.55 2p8i s ALA 14 N -0.41 2.27 -0.12 -1.40 0.00 0.16 -1.41 121.76 120.85 2p8i s ALA 14 Ca 0.04 -1.30 -0.00 0.00 0.00 0.00 0.00 51.96 50.70 2p8i s ALA 14 Cb -0.12 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.56 2p8i s ALA 14 CO 0.01 0.53 -0.09 -1.01 0.00 0.00 0.00 175.76 175.21 2p8i s HIS 15 N -0.84 1.59 -0.20 0.00 3.76 0.10 -0.01 115.29 119.69 2p8i s HIS 15 Ca 0.12 -0.80 -0.29 0.00 -0.15 0.00 0.00 55.06 53.94 2p8i s HIS 15 Cb -0.10 -1.28 0.00 0.00 1.11 0.00 0.00 32.58 32.31 2p8i s HIS 15 CO 0.03 -0.53 1.01 0.08 -0.85 0.00 0.00 174.74 174.48 2p8i s VAL 16 N 1.63 4.72 0.01 -0.90 1.01 -0.12 -1.00 120.40 125.75 2p8i s VAL 16 Ca 0.04 1.99 -0.07 0.00 0.00 0.00 0.00 61.98 63.94 2p8i s VAL 16 Cb -0.13 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 2p8i s VAL 16 CO -0.08 -0.12 0.28 -0.31 0.00 0.00 0.00 175.10 174.86 2p8i s TYR 17 N 2.88 3.59 0.32 5.22 1.51 -0.29 -1.96 117.35 128.61 2p8i s TYR 17 Ca 0.44 0.61 -0.18 0.00 -1.01 0.00 0.00 57.07 56.93 2p8i s TYR 17 Cb -0.16 -2.01 0.06 0.00 -0.11 0.00 0.00 41.96 39.73 2p8i s TYR 17 CO 0.09 0.61 0.84 -0.59 -1.11 0.00 0.00 175.55 175.39 2p8i s PHE 18 N -1.28 0.06 0.00 2.71 -0.71 -0.44 -4.06 117.98 114.25 2p8i s PHE 18 Ca 0.27 -0.63 0.00 0.00 -1.04 0.00 0.00 56.93 55.53 2p8i s PHE 18 Cb -0.13 0.79 0.00 0.00 -1.21 0.00 0.00 43.02 42.46 2p8i s PHE 18 CO 0.15 -1.36 0.00 -0.40 -1.34 0.00 0.00 175.22 172.27 2p8i n ASP 19 N -1.20 0.00 -0.27 1.98 5.68 -1.26 -1.34 116.55 120.13 2p8i n ASP 19 Ca -0.07 -0.93 0.02 0.00 -0.50 0.00 0.00 54.79 53.31 2p8i n ASP 19 Cb 0.60 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.80 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 1.43 1.46 0.00 2.12 0.00 -2.00 -0.76 119.26 121.51 2p8i h ALA 20 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2p8i h ALA 20 Cb 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2p8i h ALA 20 CO 0.00 0.46 -0.18 0.66 0.00 0.00 0.00 179.25 180.19 2p8i h SER 21 N 1.07 0.00 -0.10 0.00 4.64 -2.05 -3.08 113.55 114.03 2p8i h SER 21 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2p8i h SER 21 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2p8i h SER 21 CO -0.09 0.18 0.00 -1.54 -0.87 0.00 0.00 176.83 174.50 2p8i n SER 22 N -4.04 2.56 -0.08 4.97 3.41 -0.74 -4.74 113.62 114.96 2p8i n SER 22 Ca -0.02 -2.53 -0.10 0.00 -0.26 0.00 0.00 58.87 55.96 2p8i n SER 22 Cb 0.26 -0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 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 0.60 0.39 -0.67 4.33 2.43 -1.08 0.12 114.38 120.51 2p8i h ARG 23 Ca 0.00 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2p8i h ARG 23 Cb 0.85 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 2p8i h ARG 23 CO 0.04 0.34 0.35 -0.44 -1.51 0.00 0.00 179.97 178.75 2p8i h ASP 24 N 0.34 0.85 -0.68 -3.80 3.32 -1.85 -0.83 116.42 113.76 2p8i h ASP 24 Ca 0.10 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 2p8i h ASP 24 Cb 0.06 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 2p8i h ASP 24 CO -0.02 0.71 0.26 0.00 -1.72 0.00 0.00 179.24 178.48 2p8i h ALA 25 N 1.17 1.13 -0.72 3.45 0.00 -1.80 -1.45 119.26 121.04 2p8i h ALA 25 Ca 0.23 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2p8i h ALA 25 Cb 0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2p8i h ALA 25 CO -0.03 0.61 0.20 0.00 0.00 0.00 0.00 179.25 180.03 2p8i h ALA 26 N 1.26 0.98 -0.30 0.00 0.00 -0.37 -1.98 119.26 118.86 2p8i h ALA 26 Ca 0.23 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2p8i h ALA 26 Cb 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2p8i h ALA 26 CO -0.02 0.67 0.02 2.35 0.00 0.00 0.00 179.25 182.27 2p8i h TRP 27 N 1.08 0.55 -0.62 0.00 2.91 -0.86 -0.55 115.95 118.47 2p8i h TRP 27 Ca 0.23 -0.09 -0.01 0.00 1.13 0.00 0.00 58.89 60.15 2p8i h TRP 27 Cb 0.34 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 28.82 2p8i h TRP 27 CO 0.03 0.63 0.34 1.15 -1.03 0.00 0.00 178.44 179.56 2p8i h THR 28 N 0.31 1.20 -0.81 2.65 2.02 -1.11 -0.86 112.91 116.30 2p8i h THR 28 Ca 0.09 -0.49 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 2p8i h THR 28 Cb 0.40 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 2p8i h THR 28 CO 0.01 0.21 0.34 0.25 0.37 0.00 0.00 175.52 176.70 2p8i h LEU 29 N 0.84 1.11 -1.02 2.58 5.85 -1.23 -2.39 115.31 121.05 2p8i h LEU 29 Ca 0.22 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2p8i h LEU 29 Cb 0.03 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 2p8i h LEU 29 CO -0.04 0.97 0.58 -0.09 -0.34 0.00 0.00 178.44 179.53 2p8i h ARG 30 N 1.18 1.24 -0.70 1.25 2.43 -0.22 0.21 114.38 119.77 2p8i h ARG 30 Ca 0.27 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 2p8i h ARG 30 Cb 0.20 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2p8i h ARG 30 CO -0.02 0.85 0.23 0.93 -1.51 0.00 0.00 179.97 180.45 2p8i h GLU 31 N 1.27 1.07 -0.15 0.20 5.08 -0.92 -0.62 114.58 120.52 2p8i h GLU 31 Ca 0.34 -0.21 -0.16 0.00 -1.00 0.00 0.00 59.36 58.32 2p8i h GLU 31 Cb -0.09 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 2p8i h GLU 31 CO -0.07 0.91 -0.58 1.96 -1.00 0.00 0.00 179.01 180.23 2p8i h GLN 32 N 1.03 0.46 -0.43 2.33 1.08 -0.92 -0.75 115.11 117.92 2p8i h GLN 32 Ca 0.23 -0.30 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 2p8i h GLN 32 Cb 0.27 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 2p8i h GLN 32 CO -0.01 0.91 0.15 0.82 -0.95 0.00 0.00 178.83 179.75 2p8i h ILE 33 N 0.35 1.21 -0.41 2.54 2.04 -0.47 0.20 117.51 122.97 2p8i h ILE 33 Ca 0.00 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 2p8i h ILE 33 Cb 1.11 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2p8i h ILE 33 CO 0.10 0.25 0.17 -0.08 0.00 0.00 0.00 178.15 178.60 2p8i h GLU 34 N 0.55 0.61 -0.84 2.37 4.57 -0.97 0.14 114.58 121.01 2p8i h GLU 34 Ca 0.14 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 2p8i h GLU 34 Cb 0.24 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 2p8i h GLU 34 CO -0.01 0.56 0.46 0.00 -1.18 0.00 0.00 179.01 178.84 2p8i h ALA 35 N 1.02 1.07 0.00 2.92 0.00 -0.88 -3.06 119.26 120.33 2p8i h ALA 35 Ca 0.14 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 2p8i h ALA 35 Cb 0.17 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2p8i h ALA 35 CO -0.01 0.58 -1.40 1.25 0.00 0.00 0.00 179.25 179.67 2p8i h HIS 36 N 1.16 0.00 0.00 0.00 -0.00 -0.34 -3.40 115.15 112.58 2p8i h HIS 36 Ca 0.29 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.64 2p8i h HIS 36 Cb 0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.38 2p8i h HIS 36 CO 0.01 0.60 -0.40 0.91 -0.00 0.00 0.00 177.93 179.05 2p8i n TRP 37 N -2.91 0.00 -1.83 5.26 7.02 0.46 -5.03 117.44 120.41 2p8i n TRP 37 Ca -0.10 -0.82 -0.42 0.00 -1.02 0.00 0.00 57.50 55.14 2p8i n TRP 37 Cb 0.85 -0.15 -0.02 0.00 -2.42 0.00 0.00 31.31 29.56 2p8i n TRP 37 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2p8i s SER 38 N -2.41 6.46 0.00 -0.99 1.04 -1.16 -1.16 113.70 115.48 2p8i s SER 38 Ca 0.27 2.82 0.00 0.00 0.48 0.00 0.00 55.95 59.52 2p8i s SER 38 Cb 0.26 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.76 2p8i s SER 38 CO -0.03 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.92 2p8i n GLY 39 N 2.96 1.36 0.00 7.32 0.00 -1.26 -4.84 105.19 110.73 2p8i n GLY 39 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.00 2.67 -3.60 1.61 5.02 -0.31 -5.02 118.16 116.54 2p8i n LYS 40 Ca 0.00 -0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 2p8i n LYS 40 Cb 0.00 -1.11 -0.02 0.00 -0.02 0.00 0.00 35.03 33.88 2p8i n LYS 40 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2p8i s LEU 41 N -2.64 -0.44 -0.22 -0.35 0.05 -1.24 -4.75 118.68 109.09 2p8i s LEU 41 Ca 0.05 -0.24 -0.09 0.00 0.05 0.00 0.00 54.13 53.90 2p8i s LEU 41 Cb 0.10 2.61 -0.04 0.00 -2.05 0.00 0.00 46.19 46.81 2p8i s LEU 41 CO 0.53 -1.10 0.12 -1.10 -0.55 0.00 0.00 176.35 174.25 2p8i s GLN 42 N -3.78 3.99 -0.20 1.48 -0.21 -0.37 -4.94 119.66 115.65 2p8i s GLN 42 Ca 0.05 -0.32 -0.06 0.00 0.02 0.00 0.00 55.36 55.06 2p8i s GLN 42 Cb -0.03 -3.40 -0.03 0.00 1.00 0.00 0.00 33.01 30.55 2p8i s GLN 42 CO -0.05 0.11 0.02 -1.17 -2.12 0.00 0.00 175.29 172.08 2p8i s LEU 43 N 0.88 3.40 0.00 2.90 2.96 -1.26 -0.99 118.68 126.57 2p8i s LEU 43 Ca 0.06 -0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 53.81 2p8i s LEU 43 Cb -0.13 -1.86 0.11 0.00 0.50 0.00 0.00 46.19 44.81 2p8i s LEU 43 CO 0.03 0.09 0.76 0.61 -1.32 0.00 0.00 176.35 176.51 2p8i n GLY 44 N 4.09 0.19 3.79 7.98 0.00 0.02 -5.00 105.19 116.26 2p8i n GLY 44 Ca -0.17 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 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 -4.47 2.79 -0.72 1.61 3.00 -1.26 -4.62 118.95 115.28 2p8i s ARG 45 Ca 0.48 1.17 -0.25 0.00 0.00 0.00 0.00 55.73 57.13 2p8i s ARG 45 Cb -0.02 -1.96 0.05 0.00 0.00 0.00 0.00 34.95 33.02 2p8i s ARG 45 CO 0.32 -1.23 1.13 0.12 0.00 0.00 0.00 175.30 175.65 2p8i s PHE 46 N -2.72 2.49 -0.43 -0.53 5.36 -1.26 -4.42 117.98 116.47 2p8i s PHE 46 Ca 0.62 -0.34 -0.22 0.00 -0.96 0.00 0.00 56.93 56.03 2p8i s PHE 46 Cb -0.17 -4.47 0.02 0.00 -0.34 0.00 0.00 43.02 38.07 2p8i s PHE 46 CO 0.48 -1.86 0.69 -1.01 -1.46 0.00 0.00 175.22 172.07 2p8i s HIS 47 N 4.86 3.05 -0.42 10.12 3.76 -0.00 -4.93 115.29 131.72 2p8i s HIS 47 Ca 0.29 0.06 -0.01 0.00 -0.15 0.00 0.00 55.06 55.26 2p8i s HIS 47 Cb -0.12 -3.44 0.32 0.00 1.11 0.00 0.00 32.58 30.46 2p8i s HIS 47 CO 0.11 -0.89 1.96 0.39 -0.85 0.00 0.00 174.74 175.47 2p8i n GLU 48 N 6.40 2.08 -3.65 1.40 1.02 -1.26 -1.52 120.64 125.10 2p8i n GLU 48 Ca -0.00 -2.15 -0.10 0.00 -0.02 0.00 0.00 57.16 54.89 2p8i n GLU 48 Cb 0.48 -1.84 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 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 -2.49 1.40 0.09 3.49 1.70 -1.26 -4.97 118.95 116.91 2p8i s ARG 49 Ca 0.42 -0.75 -0.31 0.00 -0.47 0.00 0.00 55.73 54.62 2p8i s ARG 49 Cb 0.34 0.56 -0.08 0.00 -0.57 0.00 0.00 34.95 35.19 2p8i s ARG 49 CO 0.01 -0.61 1.52 -2.14 -1.08 0.00 0.00 175.30 173.00 2p8i s PRO 50 N -3.84 4.25 0.10 3.89 0.02 -1.26 -4.36 135.00 133.80 2p8i s PRO 50 Ca 0.07 2.21 0.08 0.00 0.02 0.00 0.00 61.00 63.38 2p8i s PRO 50 Cb -0.02 -3.41 -0.04 0.00 0.02 0.00 0.00 34.50 31.06 2p8i s PRO 50 CO -0.05 -0.61 -0.22 0.14 -0.33 0.00 0.00 177.00 175.94 2p8i s VAL 51 N 1.90 1.77 0.00 3.83 -7.23 -1.22 -4.99 120.40 114.46 2p8i s VAL 51 Ca 0.69 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 2p8i s VAL 51 Cb -0.38 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 34.96 2p8i s VAL 51 CO 0.30 -0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.67 2p8i n GLY 52 N 1.10 3.39 0.40 2.32 0.00 -1.26 -1.07 105.19 110.07 2p8i n GLY 52 Ca -0.19 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 13.96 1.52 -3.20 1.61 -0.04 -1.26 -4.82 135.00 142.77 2p8i n PRO 53 Ca 0.00 -0.79 -0.39 0.00 -0.04 0.00 0.00 63.50 62.28 2p8i n PRO 53 Cb 0.00 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.05 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 -1.83 3.40 -0.20 0.54 3.76 -0.24 -0.30 115.29 120.43 2p8i s HIS 54 Ca 0.30 0.87 0.01 0.00 -0.15 0.00 0.00 55.06 56.08 2p8i s HIS 54 Cb 0.15 -2.70 0.15 0.00 1.11 0.00 0.00 32.58 31.29 2p8i s HIS 54 CO 0.24 -0.08 1.14 -0.35 -0.85 0.00 0.00 174.74 174.83 2p8i n PRO 55 N 4.67 1.34 -2.80 8.40 -0.04 -1.26 -3.45 135.00 141.86 2p8i n PRO 55 Ca -0.04 -0.64 -0.30 0.00 -0.04 0.00 0.00 63.50 62.48 2p8i n PRO 55 Cb 0.50 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.79 3.47 0.12 0.54 0.52 -0.45 -4.78 118.94 117.57 2p8i s TRP 57 Ca 0.12 1.08 -0.24 0.00 0.02 0.00 0.00 56.10 57.08 2p8i s TRP 57 Cb 0.10 -2.48 0.08 0.00 -1.15 0.00 0.00 33.47 30.02 2p8i s TRP 57 CO 0.02 -0.14 0.66 -1.54 0.02 0.00 0.00 176.95 175.97 2p8i s SER 58 N -3.18 -0.53 0.05 2.95 1.04 -0.58 -1.33 113.70 112.13 2p8i s SER 58 Ca 0.52 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.96 2p8i s SER 58 Cb -0.10 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 2p8i s SER 58 CO 0.32 -0.89 -0.04 -0.72 0.98 0.00 0.00 173.24 172.88 2p8i s TYR 59 N -3.59 0.52 -0.04 5.02 -0.85 -0.83 -0.82 117.35 116.75 2p8i s TYR 59 Ca 0.02 -0.82 -0.01 0.00 -0.52 0.00 0.00 57.07 55.73 2p8i s TYR 59 Cb -0.01 -0.35 -0.04 0.00 0.38 0.00 0.00 41.96 41.94 2p8i s TYR 59 CO -0.12 -0.25 0.05 -1.14 -1.52 0.00 0.00 175.55 172.57 2p8i s GLN 60 N -2.92 3.04 -0.12 -3.49 0.74 -1.26 -0.94 119.66 114.71 2p8i s GLN 60 Ca -0.01 -0.44 0.03 0.00 0.05 0.00 0.00 55.36 54.99 2p8i s GLN 60 Cb 0.00 -2.84 0.00 0.00 1.10 0.00 0.00 33.01 31.27 2p8i s GLN 60 CO -0.05 0.68 -0.22 -0.51 -0.55 0.00 0.00 175.29 174.63 2p8i s LEU 61 N -1.37 2.19 -0.09 3.68 1.43 0.99 -0.80 118.68 124.70 2p8i s LEU 61 Ca 0.19 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 2p8i s LEU 61 Cb -0.12 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 2p8i s LEU 61 CO 0.09 0.13 -0.18 0.00 0.23 0.00 0.00 176.35 176.62 2p8i s ALA 62 N 0.50 2.45 0.19 4.21 0.00 -0.16 -0.67 121.76 128.27 2p8i s ALA 62 Ca -0.14 -0.95 -0.19 0.00 0.00 0.00 0.00 51.96 50.68 2p8i s ALA 62 Cb -0.17 -0.98 0.04 0.00 0.00 0.00 0.00 23.12 22.01 2p8i s ALA 62 CO 0.05 0.35 0.54 -0.59 0.00 0.00 0.00 175.76 176.11 2p8i s PHE 63 N 0.03 -0.22 0.47 0.00 -0.71 -0.76 -1.23 117.98 115.57 2p8i s PHE 63 Ca -0.07 -0.11 -0.04 0.00 -1.04 0.00 0.00 56.93 55.68 2p8i s PHE 63 Cb -0.15 0.43 -0.03 0.00 -1.21 0.00 0.00 43.02 42.07 2p8i s PHE 63 CO 0.05 -0.90 0.76 0.95 -1.34 0.00 0.00 175.22 174.74 2p8i s THR 64 N -3.84 4.71 0.48 -4.49 -4.23 -1.26 -0.98 115.64 106.02 2p8i s THR 64 Ca 0.07 0.04 0.22 0.00 -1.18 0.00 0.00 61.69 60.83 2p8i s THR 64 Cb -0.01 -3.79 0.40 0.00 1.34 0.00 0.00 72.50 70.44 2p8i s THR 64 CO -0.05 -0.73 1.93 -0.61 -0.54 0.00 0.00 174.62 174.62 2p8i h GLN 65 N 0.26 0.20 0.00 3.99 5.75 -1.90 -0.85 115.11 122.55 2p8i h GLN 65 Ca -0.47 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.01 2p8i h GLN 65 Cb 1.22 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.72 2p8i h GLN 65 CO 0.61 0.13 -0.02 0.93 -2.65 0.00 0.00 178.83 177.84 2p8i h GLU 66 N 0.21 0.00 -0.01 1.69 3.07 -1.98 -2.57 114.58 114.99 2p8i h GLU 66 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 2p8i h GLU 66 Cb 1.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 2p8i h GLU 66 CO -0.07 0.02 -0.63 1.04 -1.40 0.00 0.00 179.01 177.97 2p8i n GLN 67 N -3.12 0.69 0.06 2.33 1.13 -0.36 -4.68 117.38 113.43 2p8i n GLN 67 Ca 0.01 -0.55 -0.11 0.00 -1.94 0.00 0.00 57.00 54.41 2p8i n GLN 67 Cb 0.34 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 29.16 2p8i n GLN 67 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 2p8i h PHE 68 N 1.34 -0.61 -0.35 1.08 3.04 -1.03 -1.27 116.94 119.15 2p8i h PHE 68 Ca 0.00 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 2p8i h PHE 68 Cb 0.63 0.27 -0.02 0.00 2.56 0.00 0.00 35.95 39.39 2p8i h PHE 68 CO 0.00 -0.32 0.14 0.00 -2.02 0.00 0.00 178.31 176.11 2p8i h ALA 69 N 0.48 0.46 -0.13 2.41 0.00 -1.83 0.11 119.26 120.76 2p8i h ALA 69 Ca 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2p8i h ALA 69 Cb 0.44 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2p8i h ALA 69 CO -0.20 0.06 0.06 -0.44 0.00 0.00 0.00 179.25 178.73 2p8i h ASP 70 N 0.42 0.17 -0.00 0.00 3.32 -1.85 -1.21 116.42 117.26 2p8i h ASP 70 Ca 0.12 -0.12 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 2p8i h ASP 70 Cb 0.19 -0.04 0.02 0.00 0.22 0.00 0.00 39.33 39.71 2p8i h ASP 70 CO -0.01 0.24 -0.85 0.25 -1.72 0.00 0.00 179.24 177.14 2p8i h LEU 71 N 0.08 0.75 -0.42 1.55 5.85 -1.09 -1.66 115.31 120.39 2p8i h LEU 71 Ca 0.04 -0.75 -0.16 0.00 0.84 0.00 0.00 57.88 57.86 2p8i h LEU 71 Cb 0.11 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2p8i h LEU 71 CO -0.01 1.40 -0.38 0.58 -0.34 0.00 0.00 178.44 179.69 2p8i h VAL 72 N 0.18 1.27 -0.52 1.05 2.07 -0.84 0.83 116.25 120.30 2p8i h VAL 72 Ca -0.11 -1.56 0.04 0.00 0.82 0.00 0.00 66.70 65.89 2p8i h VAL 72 Cb 1.53 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 32.65 2p8i h VAL 72 CO 0.17 0.52 0.29 1.23 0.02 0.00 0.00 177.57 179.80 2p8i h GLY 73 N 0.80 0.73 0.96 2.17 0.00 -1.24 -0.38 103.07 106.11 2p8i h GLY 73 Ca 0.06 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 2p8i h GLY 73 CO 0.09 0.15 0.01 -0.25 0.00 0.00 0.00 176.54 176.55 2p8i h TRP 74 N 0.56 0.81 -0.66 5.60 7.01 -0.91 -2.16 115.95 126.20 2p8i h TRP 74 Ca 0.22 -0.13 -0.03 0.00 2.11 0.00 0.00 58.89 61.06 2p8i h TRP 74 Cb 0.08 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 26.90 2p8i h TRP 74 CO -0.08 0.80 0.31 -0.07 -2.79 0.00 0.00 178.44 176.60 2p8i h LEU 75 N 0.59 0.85 -0.85 0.65 3.38 -0.68 -1.39 115.31 117.86 2p8i h LEU 75 Ca 0.12 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2p8i h LEU 75 Cb 0.47 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2p8i h LEU 75 CO 0.02 0.72 0.41 0.74 0.09 0.00 0.00 178.44 180.43 2p8i h THR 76 N 0.93 1.26 0.00 0.22 2.02 -0.75 -0.33 112.91 116.25 2p8i h THR 76 Ca 0.23 -0.71 -0.12 0.00 0.77 0.00 0.00 66.41 66.58 2p8i h THR 76 Cb 0.11 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 2p8i h THR 76 CO -0.03 0.31 -0.56 -0.07 0.37 0.00 0.00 175.52 175.54 2p8i h LEU 77 N 1.20 0.00 -1.62 2.58 3.38 -1.09 -3.38 115.31 116.37 2p8i h LEU 77 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2p8i h LEU 77 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2p8i h LEU 77 CO -0.04 0.56 0.00 0.59 0.09 0.00 0.00 178.44 179.64 2p8i n ASN 78 N -3.68 1.27 0.06 -0.43 3.02 -0.55 -4.72 115.26 110.22 2p8i n ASN 78 Ca -0.01 -1.33 0.11 0.00 -0.03 0.00 0.00 54.58 53.32 2p8i n ASN 78 Cb 0.60 0.00 0.45 0.00 -0.61 0.00 0.00 39.78 40.22 2p8i n ASN 78 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2p8i n HIS 79 N -0.17 0.40 -1.09 3.10 1.44 -0.16 -4.98 115.22 113.76 2p8i n HIS 79 Ca 0.00 0.14 0.00 0.00 -2.01 0.00 0.00 57.72 55.85 2p8i n HIS 79 Cb 0.10 -0.72 0.00 0.00 0.12 0.00 0.00 29.99 29.49 2p8i n HIS 79 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2p8i n GLY 80 N 0.62 2.96 1.43 -1.39 0.00 -1.26 -1.93 105.19 105.61 2p8i n GLY 80 Ca 0.04 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 11.03 2.64 -2.66 4.61 0.00 -1.26 -4.91 120.51 129.97 2p8i n ALA 81 Ca 0.00 -1.37 -0.41 0.00 0.00 0.00 0.00 53.44 51.66 2p8i n ALA 81 Cb 0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.29 4.13 0.35 0.00 1.43 -0.81 -5.04 118.68 117.45 2p8i s LEU 82 Ca 0.49 1.06 -0.26 0.00 -1.03 0.00 0.00 54.13 54.39 2p8i s LEU 82 Cb 0.28 -3.16 -0.09 0.00 0.03 0.00 0.00 46.19 43.25 2p8i s LEU 82 CO 0.30 -0.43 1.08 -1.81 0.23 0.00 0.00 176.35 175.72 2p8i s ASP 83 N 1.24 6.93 -0.09 2.29 1.01 -1.26 -4.81 116.67 121.98 2p8i s ASP 83 Ca 0.35 2.16 0.01 0.00 0.71 0.00 0.00 52.55 55.79 2p8i s ASP 83 Cb -0.16 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.18 2p8i s ASP 83 CO 0.10 -0.38 -0.12 -0.63 0.21 0.00 0.00 175.17 174.35 2p8i s ILE 84 N -1.44 1.24 -0.16 0.77 1.01 -0.36 -1.14 121.20 121.12 2p8i s ILE 84 Ca 0.53 -0.49 -0.16 0.00 0.00 0.00 0.00 60.65 60.52 2p8i s ILE 84 Cb -0.27 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 2p8i s ILE 84 CO 0.34 0.39 0.40 0.12 0.00 0.00 0.00 174.94 176.19 2p8i s PHE 85 N 1.00 3.44 0.03 3.97 5.36 -0.17 -0.73 117.98 130.89 2p8i s PHE 85 Ca -0.08 0.71 0.07 0.00 -0.96 0.00 0.00 56.93 56.67 2p8i s PHE 85 Cb -0.15 -2.49 -0.02 0.00 -0.34 0.00 0.00 43.02 40.02 2p8i s PHE 85 CO -0.01 0.11 -0.19 -0.51 -1.46 0.00 0.00 175.22 173.17 2p8i s LEU 86 N 0.87 2.15 -0.04 6.12 1.02 0.11 0.01 118.68 128.92 2p8i s LEU 86 Ca 0.21 -0.48 -0.20 0.00 0.02 0.00 0.00 54.13 53.67 2p8i s LEU 86 Cb -0.14 -0.90 0.04 0.00 0.02 0.00 0.00 46.19 45.21 2p8i s LEU 86 CO 0.08 0.14 0.44 -1.38 0.02 0.00 0.00 176.35 175.65 2p8i s HIS 87 N -0.76 -0.36 0.70 0.29 -3.43 -0.50 -0.74 115.29 110.49 2p8i s HIS 87 Ca 0.06 0.62 -0.11 0.00 -0.80 0.00 0.00 55.06 54.83 2p8i s HIS 87 Cb -0.08 0.20 0.01 0.00 -1.43 0.00 0.00 32.58 31.28 2p8i s HIS 87 CO 0.01 -0.45 1.06 -1.25 -2.00 0.00 0.00 174.74 172.12 2p8i s PRO 88 N -1.16 2.93 -0.31 -0.38 0.04 -1.26 -1.75 135.00 133.10 2p8i s PRO 88 Ca -0.12 0.78 -0.03 0.00 0.04 0.00 0.00 61.00 61.68 2p8i s PRO 88 Cb -0.03 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.55 2p8i s PRO 88 CO 0.06 -1.06 0.03 -0.80 0.04 0.00 0.00 177.00 175.27 2p8i s ASN 89 N -3.98 5.00 0.00 6.66 0.01 0.20 -4.83 114.94 118.01 2p8i s ASN 89 Ca 0.58 -1.25 0.07 0.00 -0.71 0.00 0.00 52.86 51.55 2p8i s ASN 89 Cb -0.13 -1.75 0.09 0.00 0.41 0.00 0.00 41.25 39.87 2p8i s ASN 89 CO 0.54 -0.28 0.84 0.35 -1.51 0.00 0.00 177.10 177.04 2p8i n THR 90 N 4.67 0.25 -0.17 1.60 -2.24 -1.26 -0.77 114.28 116.36 2p8i n THR 90 Ca -0.13 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 2p8i n THR 90 Cb 0.44 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 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 0.35 0.86 2.46 3.38 0.00 -1.26 -4.94 105.19 106.05 2p8i n GLY 91 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.18 2.94 0.15 1.61 -1.08 -1.26 -5.04 116.67 111.81 2p8i s ASP 92 Ca 0.00 -2.21 -0.16 0.00 -0.52 0.00 0.00 52.55 49.66 2p8i s ASP 92 Cb 0.00 -0.41 0.03 0.00 -1.46 0.00 0.00 42.92 41.08 2p8i s ASP 92 CO 0.00 -0.31 1.79 0.00 0.52 0.00 0.00 175.17 177.18 2p8i h ALA 93 N 6.98 0.47 -0.13 3.66 0.00 -1.97 0.38 119.26 128.65 2p8i h ALA 93 Ca 0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2p8i h ALA 93 Cb 0.97 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2p8i h ALA 93 CO 0.27 -0.13 0.07 1.25 0.00 0.00 0.00 179.25 180.70 2p8i h LEU 94 N 0.44 0.16 -0.42 0.00 5.85 -1.96 -1.69 115.31 117.69 2p8i h LEU 94 Ca 0.15 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.80 2p8i h LEU 94 Cb 0.02 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2p8i h LEU 94 CO -0.08 0.21 0.24 -0.09 -0.34 0.00 0.00 178.44 178.39 2p8i h ARG 95 N 0.10 0.47 -0.81 1.25 2.43 -1.92 0.16 114.38 116.06 2p8i h ARG 95 Ca 0.04 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 2p8i h ARG 95 Cb 0.09 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 2p8i h ARG 95 CO -0.01 0.31 0.52 -0.44 -1.51 0.00 0.00 179.97 178.85 2p8i h ASP 96 N 0.49 0.87 -0.04 -3.80 3.32 -0.74 0.22 116.42 116.74 2p8i h ASP 96 Ca 0.17 -0.01 -0.20 0.00 0.02 0.00 0.00 57.03 57.01 2p8i h ASP 96 Cb 0.03 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.39 2p8i h ASP 96 CO -0.09 0.61 -0.76 0.45 -1.72 0.00 0.00 179.24 177.73 2p8i h HIS 97 N 1.03 0.84 -0.12 4.55 3.86 -1.05 -1.87 115.15 122.38 2p8i h HIS 97 Ca 0.32 -0.43 -0.16 0.00 -1.16 0.00 0.00 60.37 58.95 2p8i h HIS 97 Cb -0.01 -0.11 0.01 0.00 1.06 0.00 0.00 27.41 28.36 2p8i h HIS 97 CO -0.03 1.25 -0.53 -0.09 0.86 0.00 0.00 177.93 179.40 2p8i h ARG 98 N 0.19 0.58 0.00 2.45 2.43 -0.53 -3.36 114.38 116.13 2p8i h ARG 98 Ca -0.08 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 2p8i h ARG 98 Cb 1.43 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.07 2p8i h ARG 98 CO 0.15 1.08 -1.39 -0.25 -1.51 0.00 0.00 179.97 178.05 2p8i n ASP 99 N -4.19 2.28 -0.66 -3.80 8.00 0.76 -4.67 116.55 114.27 2p8i n ASP 99 Ca -0.08 -0.09 0.06 0.00 0.71 0.00 0.00 54.79 55.40 2p8i n ASP 99 Cb 0.61 1.44 0.17 0.00 -0.02 0.00 0.00 41.12 43.32 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 -1.81 3.24 -1.94 2.24 0.00 -0.71 -5.02 120.51 116.51 2p8i n ALA 100 Ca -0.02 -3.01 -0.41 0.00 0.00 0.00 0.00 53.44 50.01 2p8i n ALA 100 Cb 0.27 -0.42 -0.03 0.00 0.00 0.00 0.00 19.45 19.27 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 -2.62 3.44 0.03 0.00 0.00 -1.20 -4.28 121.76 117.13 2p8i s ALA 101 Ca 0.35 0.98 0.05 0.00 0.00 0.00 0.00 51.96 53.35 2p8i s ALA 101 Cb 0.35 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 20.04 2p8i s ALA 101 CO -0.07 -0.36 -0.16 0.08 0.00 0.00 0.00 175.76 175.25 2p8i s VAL 102 N -0.44 1.27 -0.06 0.00 1.01 0.08 -5.00 120.40 117.26 2p8i s VAL 102 Ca 0.51 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.50 2p8i s VAL 102 Cb -0.34 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 34.95 2p8i s VAL 102 CO 0.40 0.11 -0.06 0.26 0.00 0.00 0.00 175.10 175.81 2p8i s TRP 103 N -0.75 0.93 -0.35 5.22 0.52 -1.26 0.04 118.94 123.28 2p8i s TRP 103 Ca 0.04 -0.31 -0.18 0.00 0.02 0.00 0.00 56.10 55.67 2p8i s TRP 103 Cb -0.08 -0.80 -0.00 0.00 -1.15 0.00 0.00 33.47 31.44 2p8i s TRP 103 CO 0.01 -0.25 0.53 0.42 0.02 0.00 0.00 176.95 177.68 2p8i s ILE 104 N 1.05 5.00 0.00 2.03 1.01 0.09 -4.78 121.20 125.61 2p8i s ILE 104 Ca -0.09 0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2p8i s ILE 104 Cb -0.14 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.35 2p8i s ILE 104 CO -0.01 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.30 2p8i n GLY 105 N 4.80 0.89 3.55 6.18 0.00 -1.26 -1.23 105.19 118.12 2p8i n GLY 105 Ca -0.04 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 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 2.71 0.44 1.61 3.76 -1.26 -5.06 115.29 117.49 2p8i s HIS 106 Ca 0.00 -0.17 -0.20 0.00 -0.15 0.00 0.00 55.06 54.54 2p8i s HIS 106 Cb 0.00 -1.45 -0.10 0.00 1.11 0.00 0.00 32.58 32.13 2p8i s HIS 106 CO 0.00 0.39 0.96 -1.54 -0.85 0.00 0.00 174.74 173.70 2p8i s SER 107 N -1.98 6.87 0.10 1.40 1.04 -1.26 -4.73 113.70 115.15 2p8i s SER 107 Ca 0.19 1.68 0.09 0.00 0.48 0.00 0.00 55.95 58.39 2p8i s SER 107 Cb -0.11 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.44 2p8i s SER 107 CO 0.11 -0.41 -0.22 -1.00 0.98 0.00 0.00 173.24 172.70 2p8i s HIS 108 N -2.23 1.91 -0.23 5.02 3.76 -1.26 -5.10 115.29 117.16 2p8i s HIS 108 Ca 0.62 -0.41 -0.29 0.00 -0.15 0.00 0.00 55.06 54.83 2p8i s HIS 108 Cb -0.09 -1.05 -0.00 0.00 1.11 0.00 0.00 32.58 32.54 2p8i s HIS 108 CO 0.16 0.22 1.24 -1.21 -0.85 0.00 0.00 174.74 174.30 2p8i s GLU 109 N -1.87 4.11 0.66 1.40 0.41 -1.26 -5.01 118.70 117.15 2p8i s GLU 109 Ca 0.08 1.45 -0.11 0.00 -0.41 0.00 0.00 54.97 55.98 2p8i s GLU 109 Cb -0.10 -3.79 -0.01 0.00 -1.78 0.00 0.00 34.13 28.45 2p8i s GLU 109 CO 0.04 -0.86 1.05 -0.51 -0.49 0.00 0.00 175.26 174.50 2p8i s LEU 110 N 3.79 3.20 -1.37 1.80 1.43 -1.26 -4.67 118.68 121.60 2p8i s LEU 110 Ca 0.54 1.58 -0.12 0.00 -1.03 0.00 0.00 54.13 55.10 2p8i s LEU 110 Cb -0.19 -4.49 0.10 0.00 0.03 0.00 0.00 46.19 41.64 2p8i s LEU 110 CO 0.17 -1.25 2.04 0.52 0.23 0.00 0.00 176.35 178.06 2p8i n VAL 111 N -2.90 3.87 0.23 -1.59 0.31 0.59 -4.73 118.33 114.11 2p8i n VAL 111 Ca 0.07 -3.68 0.09 0.00 -0.01 0.00 0.00 64.34 60.81 2p8i n VAL 111 Cb 0.54 -2.49 0.58 0.00 -0.91 0.00 0.00 33.84 31.55 2p8i n VAL 111 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2p8i h LEU 112 N 9.17 0.00 -2.27 7.52 3.38 -1.92 -1.64 115.31 129.54 2p8i h LEU 112 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 2p8i h LEU 112 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2p8i h LEU 112 CO 1.75 0.20 0.00 0.77 0.09 0.00 0.00 178.44 181.25 2p8i h SER 113 N 0.00 0.00 0.90 -0.43 4.64 -1.97 -1.61 113.55 115.08 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 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2p8i h SER 113 CO 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 2p8i n ALA 114 N -1.99 1.81 -2.54 5.18 0.00 -0.62 -4.86 120.51 117.50 2p8i n ALA 114 Ca -0.02 0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.23 2p8i n ALA 114 Cb 0.10 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.14 2p8i n ALA 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2p8i s LEU 115 N -4.46 3.91 0.00 0.00 1.43 -0.61 -4.88 118.68 114.08 2p8i s LEU 115 Ca 0.06 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 2p8i s LEU 115 Cb 0.10 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.83 2p8i s LEU 115 CO 0.44 -0.36 0.00 -3.20 0.23 0.00 0.00 176.35 173.46