#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2peb s GLU 3 N 0.00 3.59 -0.06 1.97 2.56 -1.26 -5.06 118.70 120.44 2peb s GLU 3 Ca 0.00 -0.11 -0.30 0.00 0.00 0.00 0.00 54.97 54.56 2peb s GLU 3 Cb 0.00 -2.69 -0.02 0.00 2.00 0.00 0.00 34.13 33.42 2peb s GLU 3 CO 0.00 0.24 1.00 0.34 -0.56 0.00 0.00 175.26 176.28 2peb s ASP 4 N -3.28 7.29 0.18 -1.70 -1.08 -1.26 -4.94 116.67 111.88 2peb s ASP 4 Ca 0.42 1.60 0.15 0.00 -0.52 0.00 0.00 52.55 54.20 2peb s ASP 4 Cb -0.11 -2.56 0.74 0.00 -1.46 0.00 0.00 42.92 39.53 2peb s ASP 4 CO 0.31 -0.38 1.46 0.35 0.52 0.00 0.00 175.17 177.43 2peb n THR 5 N 4.28 1.26 -0.08 1.71 -2.24 -1.26 -1.30 114.28 116.65 2peb n THR 5 Ca 0.08 0.51 0.18 0.00 -2.27 0.00 0.00 64.05 62.55 2peb n THR 5 Cb 0.50 -1.47 0.60 0.00 -2.10 0.00 0.00 70.33 67.86 2peb n THR 5 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2peb h ILE 6 N 0.00 0.77 0.00 2.28 6.09 -2.05 -0.95 117.51 123.66 2peb h ILE 6 Ca 0.00 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.42 2peb h ILE 6 Cb 0.10 0.55 0.00 0.00 0.47 0.00 0.00 36.82 37.94 2peb h ILE 6 CO 0.00 0.04 0.00 -1.84 -3.07 0.00 0.00 178.15 173.28 2peb n GLU 7 N -4.42 0.32 -3.01 2.19 0.28 -0.42 -4.46 120.64 111.11 2peb n GLU 7 Ca 0.12 0.06 -0.42 0.00 -0.16 0.00 0.00 57.16 56.75 2peb n GLU 7 Cb 0.56 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.88 2peb n GLU 7 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2peb s ILE 8 N -2.19 4.76 -0.58 3.84 1.01 -0.36 -4.31 121.20 123.37 2peb s ILE 8 Ca 0.16 0.64 0.24 0.00 0.00 0.00 0.00 60.65 61.69 2peb s ILE 8 Cb 0.08 -4.20 0.05 0.00 0.01 0.00 0.00 42.46 38.41 2peb s ILE 8 CO 0.16 -0.48 1.29 0.00 0.00 0.00 0.00 174.94 175.91 2peb h ALA 9 N 8.62 0.58 0.00 9.38 0.00 -1.27 -3.46 119.26 133.11 2peb h ALA 9 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2peb h ALA 9 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2peb h ALA 9 CO 0.90 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.56 2peb n GLY 10 N 1.31 -0.75 3.25 0.00 0.00 -1.25 -4.35 105.19 103.39 2peb n GLY 10 Ca 0.03 -1.10 -0.15 0.00 0.00 0.00 0.00 46.02 44.81 2peb n GLY 10 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2peb s PHE 11 N -2.00 1.28 -0.04 1.61 0.40 0.12 -0.63 117.98 118.72 2peb s PHE 11 Ca 0.00 -0.73 0.06 0.00 -0.60 0.00 0.00 56.93 55.66 2peb s PHE 11 Cb 0.00 -0.65 -0.01 0.00 0.51 0.00 0.00 43.02 42.87 2peb s PHE 11 CO 0.00 0.10 -0.23 -1.01 0.70 0.00 0.00 175.22 174.77 2peb s HIS 12 N -3.21 2.19 -0.12 0.36 3.76 -0.34 -1.57 115.29 116.36 2peb s HIS 12 Ca 0.16 -0.54 -0.04 0.00 -0.15 0.00 0.00 55.06 54.49 2peb s HIS 12 Cb 0.02 -1.43 -0.04 0.00 1.11 0.00 0.00 32.58 32.24 2peb s HIS 12 CO 0.01 -0.13 0.03 0.00 -0.85 0.00 0.00 174.74 173.80 2peb s ALA 13 N -0.32 3.38 -0.27 -1.40 0.00 0.92 -1.09 121.76 122.98 2peb s ALA 13 Ca 0.02 -0.77 -0.00 0.00 0.00 0.00 0.00 51.96 51.21 2peb s ALA 13 Cb -0.11 -1.65 0.05 0.00 0.00 0.00 0.00 23.12 21.40 2peb s ALA 13 CO 0.01 0.47 -0.06 -1.01 0.00 0.00 0.00 175.76 175.18 2peb s HIS 14 N -0.53 3.19 -0.37 0.00 3.76 0.64 -0.17 115.29 121.81 2peb s HIS 14 Ca 0.10 -1.92 -0.16 0.00 -0.15 0.00 0.00 55.06 52.93 2peb s HIS 14 Cb -0.12 -2.03 -0.00 0.00 1.11 0.00 0.00 32.58 31.54 2peb s HIS 14 CO 0.02 -0.81 0.40 0.08 -0.85 0.00 0.00 174.74 173.59 2peb s VAL 15 N 1.23 5.13 0.17 -0.90 1.01 -0.55 -1.61 120.40 124.88 2peb s VAL 15 Ca -0.05 -0.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 2peb s VAL 15 Cb -0.19 -3.90 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 2peb s VAL 15 CO -0.04 -0.21 0.49 -0.31 0.00 0.00 0.00 175.10 175.04 2peb s TYR 16 N 2.10 3.49 0.26 5.22 2.02 -0.72 -2.12 117.35 127.60 2peb s TYR 16 Ca 0.13 0.83 -0.12 0.00 -0.37 0.00 0.00 57.07 57.54 2peb s TYR 16 Cb -0.17 -2.22 -0.00 0.00 -0.40 0.00 0.00 41.96 39.18 2peb s TYR 16 CO 0.12 0.37 0.48 -0.59 -1.57 0.00 0.00 175.55 174.36 2peb s PHE 17 N -1.66 0.42 0.32 2.71 -0.12 -0.57 -4.30 117.98 114.79 2peb s PHE 17 Ca 0.42 -0.78 0.04 0.00 -0.05 0.00 0.00 56.93 56.56 2peb s PHE 17 Cb -0.12 0.17 -0.01 0.00 -0.63 0.00 0.00 43.02 42.42 2peb s PHE 17 CO 0.21 -1.01 0.13 -0.40 -0.05 0.00 0.00 175.22 174.10 2peb n ASP 18 N -0.48 0.95 -0.29 1.98 5.68 -1.26 -3.79 116.55 119.34 2peb n ASP 18 Ca -0.01 -2.72 0.09 0.00 -0.50 0.00 0.00 54.79 51.64 2peb n ASP 18 Cb 0.62 0.88 0.25 0.00 -1.14 0.00 0.00 41.12 41.73 2peb n ASP 18 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2peb h ALA 19 N 1.58 1.28 0.00 2.12 0.00 -2.00 0.47 119.26 122.71 2peb h ALA 19 Ca -0.24 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2peb h ALA 19 Cb 0.96 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2peb h ALA 19 CO 0.38 -0.23 -0.29 0.00 0.00 0.00 0.00 179.25 179.11 2peb h ALA 20 N 1.62 1.07 -0.14 0.00 0.00 -2.05 -3.24 119.26 116.52 2peb h ALA 20 Ca 0.49 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2peb h ALA 20 Cb 0.82 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2peb h ALA 20 CO -0.45 0.36 0.00 -1.13 0.00 0.00 0.00 179.25 178.04 2peb n SER 21 N -3.54 2.22 -0.31 0.00 3.41 -0.66 -4.71 113.62 110.02 2peb n SER 21 Ca -0.00 -1.69 0.01 0.00 -0.26 0.00 0.00 58.87 56.92 2peb n SER 21 Cb 0.44 -0.09 0.14 0.00 -0.26 0.00 0.00 64.21 64.44 2peb n SER 21 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2peb h ARG 22 N 1.55 0.95 -0.26 4.33 2.43 -0.97 -0.58 114.38 121.83 2peb h ARG 22 Ca 0.00 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 2peb h ARG 22 Cb 0.52 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2peb h ARG 22 CO 0.00 0.63 -0.04 -0.44 -1.51 0.00 0.00 179.97 178.61 2peb h ASP 23 N 0.98 0.48 -0.56 -3.80 3.32 -1.84 -0.38 116.42 114.61 2peb h ASP 23 Ca 0.37 -0.34 0.10 0.00 0.02 0.00 0.00 57.03 57.18 2peb h ASP 23 Cb 0.17 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.51 2peb h ASP 23 CO -0.17 0.71 0.11 0.58 -1.72 0.00 0.00 179.24 178.74 2peb h VAL 24 N 0.24 0.66 -0.75 -1.35 2.07 -1.77 -1.99 116.25 113.36 2peb h VAL 24 Ca 0.07 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2peb h VAL 24 Cb 0.49 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 2peb h VAL 24 CO 0.02 0.04 0.43 0.00 0.02 0.00 0.00 177.57 178.08 2peb h ALA 25 N 1.45 1.35 -0.64 1.67 0.00 -0.64 -0.37 119.26 122.08 2peb h ALA 25 Ca 0.29 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2peb h ALA 25 Cb 0.42 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2peb h ALA 25 CO -0.39 0.55 0.19 0.00 0.00 0.00 0.00 179.25 179.60 2peb h ALA 26 N 1.43 1.13 -0.24 0.00 0.00 -0.44 -0.70 119.26 120.44 2peb h ALA 26 Ca 0.27 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 2peb h ALA 26 Cb -0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2peb h ALA 26 CO -0.05 0.60 -0.56 0.00 0.00 0.00 0.00 179.25 179.24 2peb h ARG 27 N 0.95 0.74 -0.63 0.00 3.08 -0.66 -1.63 114.38 116.23 2peb h ARG 27 Ca 0.21 -0.48 -0.06 0.00 0.07 0.00 0.00 59.98 59.72 2peb h ARG 27 Cb 0.28 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 2peb h ARG 27 CO -0.01 1.10 0.14 0.28 -1.07 0.00 0.00 179.97 180.41 2peb h VAL 28 N 0.56 1.25 -0.63 2.04 2.07 -0.91 -1.43 116.25 119.20 2peb h VAL 28 Ca 0.01 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 2peb h VAL 28 Cb 1.15 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2peb h VAL 28 CO 0.12 0.35 0.30 -0.09 0.02 0.00 0.00 177.57 178.26 2peb h ARG 29 N 0.95 0.91 -0.59 1.57 2.43 -0.83 -1.16 114.38 117.67 2peb h ARG 29 Ca 0.20 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 2peb h ARG 29 Cb 0.36 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2peb h ARG 29 CO 0.00 0.74 0.08 1.49 -1.51 0.00 0.00 179.97 180.77 2peb h GLU 30 N 0.87 0.96 -0.41 0.20 4.22 -1.02 -1.48 114.58 117.92 2peb h GLU 30 Ca 0.22 -0.25 0.01 0.00 0.08 0.00 0.00 59.36 59.42 2peb h GLU 30 Cb 0.13 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2peb h GLU 30 CO -0.03 0.90 0.26 0.78 -2.18 0.00 0.00 179.01 178.75 2peb h GLY 31 N 1.02 0.58 0.90 1.92 0.00 -0.75 -0.96 103.07 105.77 2peb h GLY 31 Ca 0.18 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2peb h GLY 31 CO 0.01 0.19 -0.00 1.41 0.00 0.00 0.00 176.54 178.15 2peb h LEU 32 N 0.53 -0.01 -1.68 3.11 3.38 -0.97 -2.73 115.31 116.95 2peb h LEU 32 Ca 0.16 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2peb h LEU 32 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2peb h LEU 32 CO -0.05 0.10 -0.17 1.23 0.09 0.00 0.00 178.44 179.64 2peb h GLY 33 N -0.11 0.00 2.00 0.83 0.00 -1.11 -1.52 103.07 103.16 2peb h GLY 33 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 2peb h GLY 33 CO 0.00 0.00 -0.83 0.00 0.00 0.00 0.00 176.54 175.71 2peb h ALA 34 N 1.83 0.54 0.00 3.60 0.00 -1.07 -3.40 119.26 120.76 2peb h ALA 34 Ca -0.00 -0.75 -0.22 0.00 0.00 0.00 0.00 54.91 53.94 2peb h ALA 34 Cb 0.45 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2peb h ALA 34 CO 0.02 1.04 -1.82 0.54 0.00 0.00 0.00 179.25 179.03 2peb n ARG 35 N -3.43 1.53 -4.44 0.00 1.74 -0.93 -5.08 116.66 106.05 2peb n ARG 35 Ca 0.00 0.02 -0.22 0.00 -0.77 0.00 0.00 57.85 56.89 2peb n ARG 35 Cb 0.83 -1.30 -0.10 0.00 -1.02 0.00 0.00 32.46 30.87 2peb n ARG 35 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2peb s PHE 36 N -2.29 2.03 -0.90 -1.55 0.08 -0.62 -5.07 117.98 109.67 2peb s PHE 36 Ca -0.11 -0.60 -0.21 0.00 0.12 0.00 0.00 56.93 56.14 2peb s PHE 36 Cb 0.04 -1.09 0.10 0.00 -0.57 0.00 0.00 43.02 41.50 2peb s PHE 36 CO 0.43 0.40 1.17 -1.21 -0.10 0.00 0.00 175.22 175.92 2peb s GLU 37 N -3.67 3.50 0.10 0.44 2.02 -1.26 -4.77 118.70 115.06 2peb s GLU 37 Ca 0.29 -1.42 0.03 0.00 0.02 0.00 0.00 54.97 53.89 2peb s GLU 37 Cb 0.02 -4.87 -0.04 0.00 0.10 0.00 0.00 34.13 29.33 2peb s GLU 37 CO 0.12 -1.89 -0.08 0.14 0.02 0.00 0.00 175.26 173.57 2peb s VAL 38 N 3.51 0.84 -0.24 2.63 -7.23 -1.26 -4.54 120.40 114.11 2peb s VAL 38 Ca 0.34 -1.84 -0.04 0.00 -1.81 0.00 0.00 61.98 58.63 2peb s VAL 38 Cb -0.06 -1.57 0.00 0.00 0.56 0.00 0.00 36.38 35.31 2peb s VAL 38 CO -0.06 -0.74 -0.02 0.00 -0.31 0.00 0.00 175.10 173.97 2peb s GLN 39 N -3.43 3.22 -0.17 4.82 0.00 0.52 -4.94 119.66 119.67 2peb s GLN 39 Ca 0.10 -0.74 -0.21 0.00 -0.00 0.00 0.00 55.36 54.51 2peb s GLN 39 Cb 0.02 -3.09 -0.03 0.00 0.00 0.00 0.00 33.01 29.91 2peb s GLN 39 CO -0.02 -0.29 0.65 -0.51 0.00 0.00 0.00 175.29 175.11 2peb s LEU 40 N 1.46 4.18 0.00 2.60 1.43 -1.26 -0.93 118.68 126.15 2peb s LEU 40 Ca 0.04 0.91 -0.08 0.00 -1.03 0.00 0.00 54.13 53.98 2peb s LEU 40 Cb -0.15 -2.93 0.15 0.00 0.03 0.00 0.00 46.19 43.29 2peb s LEU 40 CO -0.02 -0.24 0.94 0.61 0.23 0.00 0.00 176.35 177.87 2peb n GLY 41 N 3.63 -0.54 3.82 -3.19 0.00 0.28 -5.01 105.19 104.17 2peb n GLY 41 Ca -0.01 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 43.86 2peb n GLY 41 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2peb s ARG 42 N -4.98 3.24 -0.19 1.61 1.70 -1.26 -4.54 118.95 114.53 2peb s ARG 42 Ca 0.57 1.04 -0.27 0.00 -0.47 0.00 0.00 55.73 56.60 2peb s ARG 42 Cb -0.02 -2.03 -0.00 0.00 -0.57 0.00 0.00 34.95 32.33 2peb s ARG 42 CO 0.39 -0.86 0.93 -0.46 -1.08 0.00 0.00 175.30 174.22 2peb s TRP 43 N -2.77 3.39 -0.33 5.89 -0.11 -1.26 -4.28 118.94 119.47 2peb s TRP 43 Ca 0.60 1.37 -0.07 0.00 1.22 0.00 0.00 56.10 59.22 2peb s TRP 43 Cb -0.14 -3.14 0.03 0.00 -1.50 0.00 0.00 33.47 28.72 2peb s TRP 43 CO 0.45 -0.34 0.11 -0.06 -4.62 0.00 0.00 176.95 172.49 2peb s PHE 44 N 2.59 3.22 -1.00 5.86 0.08 -1.26 -4.97 117.98 122.51 2peb s PHE 44 Ca 0.41 -1.22 0.28 0.00 0.12 0.00 0.00 56.93 56.52 2peb s PHE 44 Cb -0.16 -2.29 1.17 0.00 -0.57 0.00 0.00 43.02 41.17 2peb s PHE 44 CO 0.10 -0.67 1.88 -0.25 -0.10 0.00 0.00 175.22 176.19 2peb n ASP 45 N 4.85 0.01 -4.40 1.36 8.00 -1.26 -4.31 116.55 120.80 2peb n ASP 45 Ca -0.13 0.50 -0.24 0.00 0.71 0.00 0.00 54.79 55.63 2peb n ASP 45 Cb 0.46 -0.50 -0.11 0.00 -0.02 0.00 0.00 41.12 40.94 2peb n ASP 45 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2peb s LYS 46 N -3.00 1.48 0.45 -1.24 1.02 -1.26 -4.33 119.74 112.86 2peb s LYS 46 Ca 0.13 -1.56 -0.24 0.00 0.02 0.00 0.00 55.97 54.32 2peb s LYS 46 Cb 0.18 -1.63 -0.09 0.00 -0.52 0.00 0.00 37.83 35.77 2peb s LYS 46 CO 0.51 0.33 1.27 -2.30 -0.92 0.00 0.00 175.35 174.24 2peb n PRO 47 N 0.01 1.85 -3.81 -1.68 -0.02 -1.26 -4.37 135.00 125.72 2peb n PRO 47 Ca -0.11 0.66 -0.12 0.00 -2.02 0.00 0.00 63.50 61.92 2peb n PRO 47 Cb 0.58 -2.41 -0.11 0.00 -0.02 0.00 0.00 33.50 31.53 2peb n PRO 47 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2peb s ILE 48 N -1.23 0.03 0.00 4.25 2.07 -1.16 -5.00 121.20 120.16 2peb s ILE 48 Ca 0.63 -0.29 0.00 0.00 -1.41 0.00 0.00 60.65 59.59 2peb s ILE 48 Cb -0.48 -0.40 0.00 0.00 0.13 0.00 0.00 42.46 41.70 2peb s ILE 48 CO 0.56 -0.16 0.00 0.61 -1.91 0.00 0.00 174.94 174.04 2peb n GLY 49 N 2.23 3.37 0.00 1.50 0.00 -1.26 -0.80 105.19 110.23 2peb n GLY 49 Ca -0.17 0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.08 2peb n GLY 49 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2peb n PRO 50 N 14.00 0.45 -2.96 1.61 -0.04 -1.26 -4.72 135.00 142.08 2peb n PRO 50 Ca 0.00 0.01 -0.41 0.00 -0.04 0.00 0.00 63.50 63.06 2peb n PRO 50 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 2peb n PRO 50 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2peb s HIS 51 N -2.54 3.39 -0.39 0.54 3.76 0.02 -0.24 115.29 119.83 2peb s HIS 51 Ca 0.29 1.14 0.24 0.00 -0.15 0.00 0.00 55.06 56.58 2peb s HIS 51 Cb 0.20 -2.95 0.48 0.00 1.11 0.00 0.00 32.58 31.42 2peb s HIS 51 CO 0.44 -0.24 1.66 -1.00 -0.85 0.00 0.00 174.74 174.75 2peb h PRO 52 N 7.43 0.00 -4.78 8.40 0.13 -1.86 -3.06 132.00 138.26 2peb h PRO 52 Ca -0.29 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.47 2peb h PRO 52 Cb 1.13 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.12 2peb h PRO 52 CO 0.82 0.00 -0.56 0.15 -0.23 0.00 0.00 178.00 178.19 2peb s LYS 53 N -3.26 1.51 0.94 0.86 1.02 -1.26 -4.68 119.74 114.88 2peb s LYS 53 Ca 0.06 -1.85 -0.11 0.00 0.02 0.00 0.00 55.97 54.09 2peb s LYS 53 Cb 0.06 0.19 0.10 0.00 -0.52 0.00 0.00 37.83 37.66 2peb s LYS 53 CO 0.65 -0.50 0.78 0.41 -0.92 0.00 0.00 175.35 175.77 2peb n GLY 54 N -0.48 -1.21 3.35 -3.33 0.00 -1.25 -4.27 105.19 98.00 2peb n GLY 54 Ca 0.04 -0.75 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 2peb n GLY 54 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2peb s TYR 56 N -2.51 1.76 -0.09 1.61 -0.85 -0.90 -1.51 117.35 114.85 2peb s TYR 56 Ca 0.62 -0.54 -0.08 0.00 -0.52 0.00 0.00 57.07 56.55 2peb s TYR 56 Cb -0.22 -0.83 -0.04 0.00 0.38 0.00 0.00 41.96 41.25 2peb s TYR 56 CO 0.63 0.37 0.19 -1.14 -1.52 0.00 0.00 175.55 174.08 2peb s GLN 57 N -3.45 3.53 -0.18 -3.49 0.74 -1.26 -1.48 119.66 114.07 2peb s GLN 57 Ca 0.21 -0.04 0.00 0.00 0.05 0.00 0.00 55.36 55.59 2peb s GLN 57 Cb -0.02 -3.19 0.04 0.00 1.10 0.00 0.00 33.01 30.94 2peb s GLN 57 CO 0.07 0.76 -0.09 0.08 -0.55 0.00 0.00 175.29 175.56 2peb s VAL 58 N -1.05 1.43 -0.04 1.34 1.01 0.76 -0.56 120.40 123.30 2peb s VAL 58 Ca 0.17 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 2peb s VAL 58 Cb -0.13 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2peb s VAL 58 CO 0.06 0.19 0.02 0.00 0.00 0.00 0.00 175.10 175.37 2peb s ALA 59 N 1.50 3.35 0.05 5.51 0.00 -0.11 -0.05 121.76 132.01 2peb s ALA 59 Ca 0.00 -0.87 -0.20 0.00 0.00 0.00 0.00 51.96 50.89 2peb s ALA 59 Cb -0.15 -1.45 0.04 0.00 0.00 0.00 0.00 23.12 21.56 2peb s ALA 59 CO -0.08 0.63 0.47 -0.59 0.00 0.00 0.00 175.76 176.19 2peb s PHE 60 N -1.03 -0.35 0.75 0.00 -0.71 -0.61 -0.36 117.98 115.68 2peb s PHE 60 Ca 0.18 0.33 -0.11 0.00 -1.04 0.00 0.00 56.93 56.28 2peb s PHE 60 Cb -0.12 0.29 0.04 0.00 -1.21 0.00 0.00 43.02 42.03 2peb s PHE 60 CO 0.08 -0.62 1.08 -0.51 -1.34 0.00 0.00 175.22 173.90 2peb s LEU 61 N -2.06 2.93 0.52 -1.99 1.43 -1.26 -0.70 118.68 117.54 2peb s LEU 61 Ca -0.05 1.59 0.22 0.00 -1.03 0.00 0.00 54.13 54.87 2peb s LEU 61 Cb -0.01 -4.34 1.33 0.00 0.03 0.00 0.00 46.19 43.21 2peb s LEU 61 CO -0.03 -1.78 2.02 -0.65 0.23 0.00 0.00 176.35 176.14 2peb h PRO 62 N -0.96 0.04 0.00 1.29 0.11 -1.89 -2.13 132.00 128.47 2peb h PRO 62 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2peb h PRO 62 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2peb h PRO 62 CO 0.56 0.03 0.00 0.27 -0.21 0.00 0.00 178.00 178.65 2peb n ASN 63 N -4.42 0.00 -0.57 -2.05 0.23 -1.26 -1.64 115.26 105.54 2peb n ASN 63 Ca 0.07 0.44 0.12 0.00 -0.53 0.00 0.00 54.58 54.68 2peb n ASN 63 Cb 0.48 -0.46 0.08 0.00 -2.08 0.00 0.00 39.78 37.80 2peb n ASN 63 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2peb n GLN 64 N -1.46 1.44 -0.21 -3.83 1.13 -0.80 -4.64 117.38 109.01 2peb n GLN 64 Ca 0.03 -1.15 -0.03 0.00 -1.94 0.00 0.00 57.00 53.90 2peb n GLN 64 Cb 0.11 -1.48 0.07 0.00 0.11 0.00 0.00 30.24 29.05 2peb n GLN 64 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 2peb h PHE 65 N 2.82 0.64 -0.05 1.08 3.57 -1.43 0.56 116.94 124.13 2peb h PHE 65 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2peb h PHE 65 Cb 0.78 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.32 2peb h PHE 65 CO 0.00 0.34 0.00 -0.40 -2.23 0.00 0.00 178.31 176.02 2peb n ASP 66 N -4.78 0.48 -0.08 0.41 5.68 -1.26 -1.84 116.55 115.16 2peb n ASP 66 Ca 0.06 -1.50 -0.10 0.00 -0.50 0.00 0.00 54.79 52.75 2peb n ASP 66 Cb 0.12 -0.03 -0.03 0.00 -1.14 0.00 0.00 41.12 40.04 2peb n ASP 66 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2peb n LYS 67 N -0.47 0.45 -0.01 0.11 5.02 -0.58 -4.53 118.16 118.16 2peb n LYS 67 Ca 0.15 0.18 -0.12 0.00 -2.02 0.00 0.00 58.31 56.50 2peb n LYS 67 Cb 0.14 -1.29 -0.08 0.00 -0.02 0.00 0.00 35.03 33.78 2peb n LYS 67 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2peb h VAL 68 N -0.84 1.22 0.02 -0.18 2.07 -1.02 -2.77 116.25 114.75 2peb h VAL 68 Ca -0.09 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 2peb h VAL 68 Cb 0.94 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 2peb h VAL 68 CO -0.05 0.18 -0.01 0.58 0.02 0.00 0.00 177.57 178.29 2peb h VAL 69 N -0.17 1.25 -0.81 2.57 2.07 -1.55 -0.71 116.25 118.90 2peb h VAL 69 Ca 0.01 -0.87 0.11 0.00 0.82 0.00 0.00 66.70 66.77 2peb h VAL 69 Cb 0.28 1.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.83 2peb h VAL 69 CO 0.00 0.22 0.53 -0.65 0.02 0.00 0.00 177.57 177.69 2peb h PRO 70 N -0.41 0.66 -0.36 1.57 0.11 -1.73 -2.41 132.00 129.43 2peb h PRO 70 Ca -0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 2peb h PRO 70 Cb 0.39 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 2peb h PRO 70 CO 0.01 0.44 0.21 2.35 -0.21 0.00 0.00 178.00 180.79 2peb h TRP 71 N 0.68 0.48 0.00 0.65 7.01 -1.22 -2.83 115.95 120.73 2peb h TRP 71 Ca 0.38 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.35 2peb h TRP 71 Cb 0.55 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.44 2peb h TRP 71 CO -0.00 0.36 0.04 1.28 -2.79 0.00 0.00 178.44 177.33 2peb n LEU 72 N -4.78 2.20 0.00 0.65 4.77 -0.30 -0.58 117.00 118.96 2peb n LEU 72 Ca -0.00 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 2peb n LEU 72 Cb 0.06 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 2peb n LEU 72 CO 0.35 0.41 0.00 0.18 -1.33 0.00 0.00 177.39 177.01 2peb n LEU 74 N 2.08 0.00 0.00 2.23 4.77 -1.07 -1.70 117.00 123.31 2peb n LEU 74 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2peb n LEU 74 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2peb n LEU 74 CO 0.06 0.00 0.44 0.59 -1.33 0.00 0.00 177.39 177.15 2peb n ASN 75 N 0.00 1.66 0.00 -1.43 3.02 0.26 -4.72 115.26 114.05 2peb n ASN 75 Ca 0.00 -1.78 0.08 0.00 -0.03 0.00 0.00 54.58 52.85 2peb n ASN 75 Cb 0.00 0.00 0.36 0.00 -0.61 0.00 0.00 39.78 39.53 2peb n ASN 75 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2peb n ARG 76 N -0.39 0.02 -4.01 3.52 1.85 -0.69 -4.89 116.66 112.07 2peb n ARG 76 Ca 0.00 0.21 -0.27 0.00 -1.00 0.00 0.00 57.85 56.79 2peb n ARG 76 Cb 0.25 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.14 2peb n ARG 76 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2peb n GLU 77 N -1.48 -3.13 -0.64 2.89 1.02 -1.26 -1.32 120.64 116.71 2peb n GLU 77 Ca 0.04 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 2peb n GLU 77 Cb 0.19 -4.53 0.00 0.00 -0.02 0.00 0.00 31.44 27.08 2peb n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2peb n GLY 78 N -1.96 1.07 3.77 0.62 0.00 -1.26 -5.03 105.19 102.40 2peb n GLY 78 Ca -0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 2peb n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2peb s LEU 79 N 0.00 4.32 -0.12 0.99 1.43 -0.44 -4.92 118.68 119.94 2peb s LEU 79 Ca 0.00 2.09 -0.25 0.00 -1.03 0.00 0.00 54.13 54.94 2peb s LEU 79 Cb 0.00 -3.96 -0.02 0.00 0.03 0.00 0.00 46.19 42.24 2peb s LEU 79 CO 0.00 -0.30 0.78 -1.81 0.23 0.00 0.00 176.35 175.25 2peb s ASP 80 N -1.33 6.98 -0.07 2.29 1.01 -1.26 -4.36 116.67 119.93 2peb s ASP 80 Ca 0.52 1.19 0.00 0.00 0.71 0.00 0.00 52.55 54.97 2peb s ASP 80 Cb -0.25 -2.44 0.02 0.00 1.01 0.00 0.00 42.92 41.26 2peb s ASP 80 CO 0.32 -0.28 -0.05 -0.63 0.21 0.00 0.00 175.17 174.74 2peb s ILE 81 N 1.57 0.65 -0.09 0.77 1.01 -0.13 -1.75 121.20 123.22 2peb s ILE 81 Ca 0.38 -0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.73 2peb s ILE 81 Cb -0.17 -0.69 -0.05 0.00 0.01 0.00 0.00 42.46 41.56 2peb s ILE 81 CO 0.16 0.27 0.48 -0.22 0.00 0.00 0.00 174.94 175.63 2peb s LEU 82 N 1.32 4.32 -0.09 2.97 2.96 -0.63 -0.65 118.68 128.87 2peb s LEU 82 Ca -0.04 0.87 0.03 0.00 -0.22 0.00 0.00 54.13 54.77 2peb s LEU 82 Cb -0.14 -2.71 0.01 0.00 0.50 0.00 0.00 46.19 43.85 2peb s LEU 82 CO -0.02 0.05 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.18 2peb s VAL 83 N 0.32 1.67 0.02 1.68 1.01 -0.26 -0.26 120.40 124.59 2peb s VAL 83 Ca 0.26 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.47 2peb s VAL 83 Cb -0.16 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 2peb s VAL 83 CO 0.11 0.47 -0.05 -1.38 0.00 0.00 0.00 175.10 174.26 2peb s HIS 84 N 0.53 0.44 0.84 5.22 -3.43 -0.25 -1.06 115.29 117.58 2peb s HIS 84 Ca -0.16 -0.41 -0.12 0.00 -0.80 0.00 0.00 55.06 53.57 2peb s HIS 84 Cb -0.17 -0.28 0.10 0.00 -1.43 0.00 0.00 32.58 30.80 2peb s HIS 84 CO 0.06 -0.10 1.11 -1.25 -2.00 0.00 0.00 174.74 172.55 2peb s PRO 85 N -1.21 1.71 -0.33 -0.38 0.04 -1.26 -1.19 135.00 132.38 2peb s PRO 85 Ca -0.10 0.55 0.02 0.00 0.04 0.00 0.00 61.00 61.51 2peb s PRO 85 Cb -0.08 -1.88 0.09 0.00 0.04 0.00 0.00 34.50 32.66 2peb s PRO 85 CO -0.00 -1.86 0.04 -1.21 0.04 0.00 0.00 177.00 174.01 2peb s GLU 86 N -5.17 1.87 0.00 4.56 0.41 0.19 -4.78 118.70 115.79 2peb s GLU 86 Ca 0.62 -1.67 0.00 0.00 -0.41 0.00 0.00 54.97 53.51 2peb s GLU 86 Cb -0.15 -3.21 0.00 0.00 -1.78 0.00 0.00 34.13 28.99 2peb s GLU 86 CO 0.54 -0.85 0.63 0.25 -0.49 0.00 0.00 175.26 175.35 2peb n THR 87 N 4.41 0.33 -0.80 3.63 -2.24 -1.26 -0.96 114.28 117.38 2peb n THR 87 Ca -0.03 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2peb n THR 87 Cb 0.42 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 2peb n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2peb n GLY 88 N -0.16 0.53 2.52 3.38 0.00 -1.26 -4.97 105.19 105.23 2peb n GLY 88 Ca 0.00 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 2peb n GLY 88 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2peb s ASP 89 N -2.56 3.07 0.20 1.61 -1.08 -1.26 -5.03 116.67 111.62 2peb s ASP 89 Ca 0.00 -2.35 -0.11 0.00 -0.52 0.00 0.00 52.55 49.57 2peb s ASP 89 Cb 0.00 -0.57 0.23 0.00 -1.46 0.00 0.00 42.92 41.12 2peb s ASP 89 CO 0.00 -0.29 1.75 0.00 0.52 0.00 0.00 175.17 177.15 2peb h ALA 90 N 6.86 0.72 0.11 3.66 0.00 -1.96 0.06 119.26 128.72 2peb h ALA 90 Ca 0.05 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2peb h ALA 90 Cb 0.95 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2peb h ALA 90 CO 0.33 -0.18 -0.05 0.28 0.00 0.00 0.00 179.25 179.62 2peb h VAL 91 N 0.41 1.00 -0.65 0.00 2.07 -1.95 -1.45 116.25 115.68 2peb h VAL 91 Ca 0.28 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 2peb h VAL 91 Cb 0.31 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2peb h VAL 91 CO -0.27 0.10 0.16 0.28 0.02 0.00 0.00 177.57 177.86 2peb h SER 92 N -0.34 0.96 -0.66 0.57 0.02 -1.94 0.18 113.55 112.34 2peb h SER 92 Ca -0.02 -0.19 0.08 0.00 -0.84 0.00 0.00 61.79 60.82 2peb h SER 92 Cb 0.28 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.50 2peb h SER 92 CO 0.03 0.93 0.33 0.44 -1.14 0.00 0.00 176.83 177.42 2peb h ASP 93 N 0.98 0.45 0.44 3.07 3.32 -0.76 0.33 116.42 124.24 2peb h ASP 93 Ca 0.21 0.05 -0.31 0.00 0.02 0.00 0.00 57.03 57.00 2peb h ASP 93 Cb 0.34 -0.03 0.02 0.00 0.22 0.00 0.00 39.33 39.88 2peb h ASP 93 CO -0.00 0.28 -1.40 0.45 -1.72 0.00 0.00 179.24 176.84 2peb h HIS 94 N 0.60 0.71 0.00 4.55 3.86 -0.91 -3.24 115.15 120.72 2peb h HIS 94 Ca 0.31 -0.52 -0.29 0.00 -1.16 0.00 0.00 60.37 58.72 2peb h HIS 94 Cb 0.28 -0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.67 2peb h HIS 94 CO -0.10 1.43 -2.28 0.00 0.86 0.00 0.00 177.93 177.83 2peb n ALA 95 N -2.64 1.77 -0.02 2.45 0.00 0.02 -4.52 120.51 117.57 2peb n ALA 95 Ca -0.14 -1.15 -0.04 0.00 0.00 0.00 0.00 53.44 52.11 2peb n ALA 95 Cb 1.06 -0.32 -0.01 0.00 0.00 0.00 0.00 19.45 20.18 2peb n ALA 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2peb n VAL 96 N -2.66 0.22 0.88 0.00 0.31 0.20 -4.79 118.33 112.48 2peb n VAL 96 Ca -0.26 -0.06 0.06 0.00 -0.01 0.00 0.00 64.34 64.07 2peb n VAL 96 Cb 1.03 -1.36 0.18 0.00 -0.91 0.00 0.00 33.84 32.79 2peb n VAL 96 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2peb n TYR 97 N -3.05 0.46 -2.88 3.52 4.01 0.91 -4.94 117.16 115.19 2peb n TYR 97 Ca -0.08 -0.23 -0.19 0.00 -0.16 0.00 0.00 57.90 57.25 2peb n TYR 97 Cb 0.56 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.61 2peb n TYR 97 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2peb s SER 98 N -1.05 5.52 0.22 7.72 1.04 -1.22 -4.34 113.70 121.60 2peb s SER 98 Ca 0.25 -0.24 0.03 0.00 0.48 0.00 0.00 55.95 56.47 2peb s SER 98 Cb 0.13 -0.77 -0.05 0.00 0.10 0.00 0.00 66.02 65.43 2peb s SER 98 CO 0.17 -0.90 -0.00 -1.48 0.98 0.00 0.00 173.24 172.01 2peb s LEU 99 N -4.51 2.17 -0.05 2.42 0.05 -0.23 -5.01 118.68 113.53 2peb s LEU 99 Ca 0.56 -1.21 0.03 0.00 0.05 0.00 0.00 54.13 53.56 2peb s LEU 99 Cb -0.10 -0.24 0.00 0.00 -2.05 0.00 0.00 46.19 43.80 2peb s LEU 99 CO 0.35 -0.52 -0.15 0.26 -0.55 0.00 0.00 176.35 175.74 2peb s TRP 100 N -3.45 1.55 -0.13 3.48 0.52 -1.26 -1.10 118.94 118.55 2peb s TRP 100 Ca 0.28 -0.48 -0.06 0.00 0.02 0.00 0.00 56.10 55.86 2peb s TRP 100 Cb 0.06 -1.07 -0.04 0.00 -1.15 0.00 0.00 33.47 31.27 2peb s TRP 100 CO 0.08 -0.19 0.11 -0.51 0.02 0.00 0.00 176.95 176.46 2peb s LEU 101 N 0.23 4.17 0.00 2.99 1.02 0.17 -4.95 118.68 122.31 2peb s LEU 101 Ca -0.07 0.35 0.00 0.00 0.02 0.00 0.00 54.13 54.43 2peb s LEU 101 Cb -0.12 -2.02 0.00 0.00 0.02 0.00 0.00 46.19 44.07 2peb s LEU 101 CO 0.02 0.36 0.00 0.61 0.02 0.00 0.00 176.35 177.36 2peb n GLY 102 N 2.32 0.58 3.36 -3.19 0.00 -1.26 -0.96 105.19 106.05 2peb n GLY 102 Ca -0.19 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 2peb n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2peb s ALA 103 N -1.98 2.88 0.39 4.61 0.00 -1.26 -5.01 121.76 121.39 2peb s ALA 103 Ca 0.00 -1.09 -0.27 0.00 0.00 0.00 0.00 51.96 50.60 2peb s ALA 103 Cb 0.00 -1.71 -0.11 0.00 0.00 0.00 0.00 23.12 21.31 2peb s ALA 103 CO 0.00 -0.30 1.38 0.00 0.00 0.00 0.00 175.76 176.84 2peb n ALA 104 N 4.54 1.78 -2.74 0.00 0.00 -1.26 -4.84 120.51 117.99 2peb n ALA 104 Ca -0.18 0.31 -0.33 0.00 0.00 0.00 0.00 53.44 53.25 2peb n ALA 104 Cb 0.51 -2.34 -0.08 0.00 0.00 0.00 0.00 19.45 17.55 2peb n ALA 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2peb s LEU 105 N -1.78 3.73 0.25 0.00 1.43 -1.26 -5.09 118.68 115.96 2peb s LEU 105 Ca 0.57 0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 53.47 2peb s LEU 105 Cb -0.50 -2.11 -0.10 0.00 0.03 0.00 0.00 46.19 43.50 2peb s LEU 105 CO 0.61 0.29 1.44 0.00 0.23 0.00 0.00 176.35 178.92 2peb s ALA 106 N -1.11 3.63 0.17 4.21 0.00 -1.26 -5.02 121.76 122.38 2peb s ALA 106 Ca 0.20 1.32 0.06 0.00 0.00 0.00 0.00 51.96 53.54 2peb s ALA 106 Cb -0.12 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 2peb s ALA 106 CO 0.11 -0.74 0.10 -0.51 0.00 0.00 0.00 175.76 174.72 2peb s LEU 107 N -0.35 3.67 -1.27 0.00 1.43 -1.26 -4.52 118.68 116.37 2peb s LEU 107 Ca 0.59 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 53.37 2peb s LEU 107 Cb -0.42 -2.28 0.16 0.00 0.03 0.00 0.00 46.19 43.68 2peb s LEU 107 CO 0.43 0.07 1.79 -3.20 0.23 0.00 0.00 176.35 175.67 2peb n ASN 108 N -0.33 5.05 0.24 2.29 5.15 0.66 -4.76 115.26 123.57 2peb n ASN 108 Ca -0.09 -3.06 0.07 0.00 -0.60 0.00 0.00 54.58 50.91 2peb n ASN 108 Cb 0.55 -1.52 0.58 0.00 -0.53 0.00 0.00 39.78 38.87 2peb n ASN 108 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2peb h ILE 109 N 4.02 1.02 -0.63 -1.44 1.08 -1.93 -2.15 117.51 117.48 2peb h ILE 109 Ca 0.39 -0.37 0.08 0.00 -0.39 0.00 0.00 64.86 64.57 2peb h ILE 109 Cb 0.69 1.20 -0.04 0.00 -3.07 0.00 0.00 36.82 35.61 2peb h ILE 109 CO 1.55 0.10 0.42 -0.08 -0.69 0.00 0.00 178.15 179.45 2peb h GLU 110 N 0.00 0.52 -0.61 2.37 4.57 -1.98 0.37 114.58 119.83 2peb h GLU 110 Ca -0.00 -0.03 0.08 0.00 -1.18 0.00 0.00 59.36 58.23 2peb h GLU 110 Cb 0.19 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.60 2peb h GLU 110 CO 0.01 0.35 0.26 0.35 -1.18 0.00 0.00 179.01 178.80 2peb h PHE 111 N 0.54 0.47 -0.36 0.92 3.04 -1.72 0.11 116.94 119.94 2peb h PHE 111 Ca 0.28 0.03 -0.16 0.00 3.98 0.00 0.00 57.97 62.10 2peb h PHE 111 Cb 0.40 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.78 2peb h PHE 111 CO -0.00 0.16 -0.40 -0.07 -2.02 0.00 0.00 178.31 175.99 2peb h LEU 112 N 0.48 0.94 -0.82 0.59 3.38 -1.11 -2.84 115.31 115.92 2peb h LEU 112 Ca 0.29 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2peb h LEU 112 Cb 0.31 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2peb h LEU 112 CO -0.26 1.21 0.42 0.03 0.09 0.00 0.00 178.44 179.94 2peb h ARG 113 N 0.71 1.17 0.00 1.13 3.08 -0.70 -2.55 114.38 117.22 2peb h ARG 113 Ca 0.06 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 2peb h ARG 113 Cb 0.98 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 2peb h ARG 113 CO 0.09 0.88 -0.17 1.96 -1.07 0.00 0.00 179.97 181.66 2peb h GLN 114 N 1.15 0.00 -0.01 0.04 7.50 -0.71 -2.14 115.11 120.95 2peb h GLN 114 Ca 0.29 0.00 -0.14 0.00 0.50 0.00 0.00 58.65 59.30 2peb h GLN 114 Cb 0.08 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.59 2peb h GLN 114 CO -0.04 0.17 -0.66 -0.07 -1.50 0.00 0.00 178.83 176.73 2peb h LEU 115 N 0.00 0.03 -0.59 1.46 3.38 -1.22 -3.51 115.31 114.86 2peb h LEU 115 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2peb h LEU 115 Cb 0.42 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2peb h LEU 115 CO 0.02 0.68 0.00 -1.54 0.09 0.00 0.00 178.44 177.69