#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 4.55 -0.21 1.97 2.56 -1.26 -5.04 118.70 121.28 2peb s GLU 3 Ca 0.00 1.28 -0.23 0.00 0.00 0.00 0.00 54.97 56.01 2peb s GLU 3 Cb 0.00 -3.43 -0.01 0.00 2.00 0.00 0.00 34.13 32.69 2peb s GLU 3 CO 0.00 0.06 0.76 -0.51 -0.56 0.00 0.00 175.26 175.01 2peb s ASP 4 N 0.65 6.81 0.00 -1.70 1.01 -1.26 -4.93 116.67 117.25 2peb s ASP 4 Ca 0.47 1.00 0.14 0.00 0.71 0.00 0.00 52.55 54.87 2peb s ASP 4 Cb -0.21 -2.41 0.65 0.00 1.01 0.00 0.00 42.92 41.96 2peb s ASP 4 CO 0.26 -0.40 1.42 0.35 0.21 0.00 0.00 175.17 177.01 2peb n THR 5 N 4.92 0.84 0.01 -1.27 -2.24 -1.26 -0.64 114.28 114.64 2peb n THR 5 Ca 0.03 0.21 0.10 0.00 -2.27 0.00 0.00 64.05 62.12 2peb n THR 5 Cb 0.49 -0.97 0.52 0.00 -2.10 0.00 0.00 70.33 68.27 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 0.96 0.00 2.28 6.09 -2.04 -1.15 117.51 123.65 2peb h ILE 6 Ca 0.00 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.37 2peb h ILE 6 Cb 0.19 0.59 0.00 0.00 0.47 0.00 0.00 36.82 38.07 2peb h ILE 6 CO 0.00 0.06 0.00 -1.84 -3.07 0.00 0.00 178.15 173.30 2peb n GLU 7 N -4.47 0.19 -3.08 2.19 0.28 0.19 -4.42 120.64 111.50 2peb n GLU 7 Ca 0.06 0.13 -0.43 0.00 -0.16 0.00 0.00 57.16 56.76 2peb n GLU 7 Cb 0.26 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.56 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 -2.38 4.80 -0.71 3.84 1.01 -0.44 -4.27 121.20 123.05 2peb s ILE 8 Ca 0.11 0.15 0.25 0.00 0.00 0.00 0.00 60.65 61.16 2peb s ILE 8 Cb 0.06 -4.23 0.11 0.00 0.01 0.00 0.00 42.46 38.42 2peb s ILE 8 CO 0.13 -0.62 1.47 0.00 0.00 0.00 0.00 174.94 175.91 2peb n ALA 9 N 6.34 2.79 0.00 9.38 0.00 -0.17 -4.86 120.51 134.00 2peb n ALA 9 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2peb n ALA 9 Cb 0.48 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2peb n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2peb n GLY 10 N 1.35 -2.11 3.10 0.00 0.00 -1.25 -4.38 105.19 101.90 2peb n GLY 10 Ca 0.04 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.06 0.79 -0.06 1.61 0.40 0.07 -0.65 117.98 118.08 2peb s PHE 11 Ca 0.00 -0.57 0.03 0.00 -0.60 0.00 0.00 56.93 55.79 2peb s PHE 11 Cb 0.00 -0.46 -0.02 0.00 0.51 0.00 0.00 43.02 43.04 2peb s PHE 11 CO 0.00 -0.07 -0.14 -1.01 0.70 0.00 0.00 175.22 174.70 2peb s HIS 12 N -1.80 2.72 -0.18 0.36 3.76 -0.03 -1.33 115.29 118.79 2peb s HIS 12 Ca -0.05 -0.22 -0.08 0.00 -0.15 0.00 0.00 55.06 54.56 2peb s HIS 12 Cb -0.07 -1.66 -0.04 0.00 1.11 0.00 0.00 32.58 31.91 2peb s HIS 12 CO -0.00 0.13 0.09 0.00 -0.85 0.00 0.00 174.74 174.10 2peb s ALA 13 N -0.57 3.51 -0.31 -1.40 0.00 0.76 -1.05 121.76 122.70 2peb s ALA 13 Ca 0.08 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 2peb s ALA 13 Cb -0.11 -2.00 0.02 0.00 0.00 0.00 0.00 23.12 21.03 2peb s ALA 13 CO 0.01 0.19 0.09 -1.01 0.00 0.00 0.00 175.76 175.05 2peb s HIS 14 N 0.31 3.19 -0.41 0.00 3.76 0.73 -0.49 115.29 122.37 2peb s HIS 14 Ca 0.05 -1.13 -0.14 0.00 -0.15 0.00 0.00 55.06 53.69 2peb s HIS 14 Cb -0.12 -2.27 0.03 0.00 1.11 0.00 0.00 32.58 31.33 2peb s HIS 14 CO -0.01 -0.63 0.30 0.08 -0.85 0.00 0.00 174.74 173.63 2peb s VAL 15 N 1.47 5.16 0.33 -0.90 1.01 -0.59 -1.69 120.40 125.19 2peb s VAL 15 Ca 0.01 -0.73 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 2peb s VAL 15 Cb -0.18 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 2peb s VAL 15 CO 0.03 -0.33 0.77 -0.31 0.00 0.00 0.00 175.10 175.26 2peb s TYR 16 N 1.66 3.41 0.25 5.22 2.02 -0.74 -1.91 117.35 127.25 2peb s TYR 16 Ca 0.05 1.31 -0.19 0.00 -0.37 0.00 0.00 57.07 57.87 2peb s TYR 16 Cb -0.19 -2.60 0.02 0.00 -0.40 0.00 0.00 41.96 38.78 2peb s TYR 16 CO 0.09 0.10 0.63 -0.59 -1.57 0.00 0.00 175.55 174.21 2peb s PHE 17 N -1.94 -0.11 0.34 2.71 -0.12 -0.22 -4.33 117.98 114.31 2peb s PHE 17 Ca 0.54 -0.29 0.04 0.00 -0.05 0.00 0.00 56.93 57.17 2peb s PHE 17 Cb -0.11 0.54 -0.01 0.00 -0.63 0.00 0.00 43.02 42.80 2peb s PHE 17 CO 0.17 -1.10 0.14 -0.40 -0.05 0.00 0.00 175.22 173.99 2peb n ASP 18 N -0.42 0.95 -0.26 1.98 5.68 -1.26 -3.59 116.55 119.63 2peb n ASP 18 Ca -0.06 -2.84 0.07 0.00 -0.50 0.00 0.00 54.79 51.46 2peb n ASP 18 Cb 0.61 0.95 0.20 0.00 -1.14 0.00 0.00 41.12 41.74 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 1.62 1.05 -0.52 2.12 0.00 -1.99 0.12 119.26 121.65 2peb h ALA 19 Ca -0.26 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2peb h ALA 19 Cb 1.03 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2peb h ALA 19 CO 0.41 -0.32 0.30 0.00 0.00 0.00 0.00 179.25 179.64 2peb h ALA 20 N 1.62 1.55 -0.21 0.00 0.00 -2.05 -3.07 119.26 117.10 2peb h ALA 20 Ca 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2peb h ALA 20 Cb 0.76 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2peb h ALA 20 CO -0.50 0.39 0.00 -1.13 0.00 0.00 0.00 179.25 178.00 2peb n SER 21 N -4.42 2.75 -0.23 0.00 3.41 -0.63 -4.65 113.62 109.85 2peb n SER 21 Ca 0.05 -1.80 0.03 0.00 -0.26 0.00 0.00 58.87 56.88 2peb n SER 21 Cb 0.08 -0.13 0.27 0.00 -0.26 0.00 0.00 64.21 64.17 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 3.08 0.93 -0.32 4.33 2.43 -0.70 -1.07 114.38 123.07 2peb h ARG 22 Ca 0.00 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 58.96 2peb h ARG 22 Cb 0.74 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2peb h ARG 22 CO 0.00 0.61 -0.39 -0.44 -1.51 0.00 0.00 179.97 178.24 2peb h ASP 23 N 0.95 0.89 -0.63 -3.80 3.32 -1.82 0.31 116.42 115.64 2peb h ASP 23 Ca 0.32 -0.49 0.06 0.00 0.02 0.00 0.00 57.03 56.93 2peb h ASP 23 Cb 0.07 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.31 2peb h ASP 23 CO -0.09 1.20 0.34 0.58 -1.72 0.00 0.00 179.24 179.55 2peb h VAL 24 N 0.60 0.96 -0.91 -1.35 2.07 -1.77 -1.69 116.25 114.16 2peb h VAL 24 Ca 0.04 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.36 2peb h VAL 24 Cb 0.98 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 2peb h VAL 24 CO 0.09 0.12 0.60 0.00 0.02 0.00 0.00 177.57 178.40 2peb h ALA 25 N 1.34 1.36 -0.56 1.67 0.00 -0.76 -0.84 119.26 121.47 2peb h ALA 25 Ca 0.28 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 2peb h ALA 25 Cb 0.18 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2peb h ALA 25 CO -0.18 0.58 -0.03 0.00 0.00 0.00 0.00 179.25 179.62 2peb h ALA 26 N 1.44 0.87 -0.32 0.00 0.00 -0.35 -0.91 119.26 119.99 2peb h ALA 26 Ca 0.34 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 2peb h ALA 26 Cb -0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2peb h ALA 26 CO -0.08 0.66 -0.37 0.00 0.00 0.00 0.00 179.25 179.46 2peb h ARG 27 N 0.91 0.75 -0.65 0.00 3.08 -0.79 -1.49 114.38 116.19 2peb h ARG 27 Ca 0.16 -0.37 -0.07 0.00 0.07 0.00 0.00 59.98 59.76 2peb h ARG 27 Cb 0.58 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 2peb h ARG 27 CO 0.03 0.99 0.11 0.28 -1.07 0.00 0.00 179.97 180.32 2peb h VAL 28 N 0.62 1.26 -0.36 2.04 2.07 -1.00 -1.26 116.25 119.61 2peb h VAL 28 Ca 0.06 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2peb h VAL 28 Cb 0.90 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2peb h VAL 28 CO 0.08 0.38 0.24 -0.09 0.02 0.00 0.00 177.57 178.20 2peb h ARG 29 N 0.99 0.48 -0.64 1.57 2.43 -0.82 -1.07 114.38 117.33 2peb h ARG 29 Ca 0.20 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 2peb h ARG 29 Cb 0.41 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2peb h ARG 29 CO 0.01 0.33 0.07 1.49 -1.51 0.00 0.00 179.97 180.36 2peb h GLU 30 N 0.49 1.08 -0.76 0.20 4.22 -1.13 -1.36 114.58 117.33 2peb h GLU 30 Ca 0.13 -0.31 0.03 0.00 0.08 0.00 0.00 59.36 59.29 2peb h GLU 30 Cb -0.05 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 2peb h GLU 30 CO -0.03 1.01 0.48 0.78 -2.18 0.00 0.00 179.01 179.08 2peb h GLY 31 N 0.99 1.09 0.77 1.92 0.00 -0.88 -1.29 103.07 105.68 2peb h GLY 31 Ca 0.19 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 2peb h GLY 31 CO 0.02 0.32 -0.00 1.41 0.00 0.00 0.00 176.54 178.29 2peb h LEU 32 N 0.95 -0.01 -1.97 3.11 3.38 -0.92 -2.70 115.31 117.15 2peb h LEU 32 Ca 0.30 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2peb h LEU 32 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2peb h LEU 32 CO -0.10 0.22 0.00 1.23 0.09 0.00 0.00 178.44 179.88 2peb h GLY 33 N -0.24 0.00 1.60 0.83 0.00 -1.03 -2.10 103.07 102.13 2peb h GLY 33 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 2peb h GLY 33 CO 0.00 0.00 -1.28 0.00 0.00 0.00 0.00 176.54 175.26 2peb h ALA 34 N 2.00 0.41 0.00 3.60 0.00 -1.20 -3.41 119.26 120.66 2peb h ALA 34 Ca 0.00 -1.07 -0.22 0.00 0.00 0.00 0.00 54.91 53.62 2peb h ALA 34 Cb 0.34 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2peb h ALA 34 CO 0.00 1.28 -1.84 0.54 0.00 0.00 0.00 179.25 179.23 2peb n ARG 35 N -3.32 1.66 -4.48 0.00 1.74 -1.01 -5.07 116.66 106.18 2peb n ARG 35 Ca -0.08 0.01 -0.23 0.00 -0.77 0.00 0.00 57.85 56.79 2peb n ARG 35 Cb 0.99 -1.31 -0.10 0.00 -1.02 0.00 0.00 32.46 31.02 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 -2.30 2.14 -0.85 -1.55 0.08 -0.82 -5.06 117.98 109.61 2peb s PHE 36 Ca -0.09 -0.65 -0.21 0.00 0.12 0.00 0.00 56.93 56.10 2peb s PHE 36 Cb 0.04 -1.26 0.09 0.00 -0.57 0.00 0.00 43.02 41.32 2peb s PHE 36 CO 0.47 0.37 1.15 -1.21 -0.10 0.00 0.00 175.22 175.90 2peb s GLU 37 N -3.70 3.42 0.08 0.44 2.02 -1.26 -4.79 118.70 114.91 2peb s GLU 37 Ca 0.31 -1.26 0.01 0.00 0.02 0.00 0.00 54.97 54.06 2peb s GLU 37 Cb 0.04 -4.75 -0.04 0.00 0.10 0.00 0.00 34.13 29.48 2peb s GLU 37 CO 0.14 -1.90 -0.06 0.14 0.02 0.00 0.00 175.26 173.60 2peb s VAL 38 N 3.75 0.58 -0.21 2.63 -7.23 -1.26 -4.53 120.40 114.13 2peb s VAL 38 Ca 0.32 -1.78 -0.01 0.00 -1.81 0.00 0.00 61.98 58.69 2peb s VAL 38 Cb -0.08 -1.49 0.01 0.00 0.56 0.00 0.00 36.38 35.38 2peb s VAL 38 CO -0.02 -0.83 -0.11 -1.58 -0.31 0.00 0.00 175.10 172.25 2peb s GLN 39 N -3.52 3.14 -0.22 4.82 0.74 0.37 -4.96 119.66 120.03 2peb s GLN 39 Ca 0.08 -0.76 -0.16 0.00 0.05 0.00 0.00 55.36 54.57 2peb s GLN 39 Cb 0.04 -2.82 -0.04 0.00 1.10 0.00 0.00 33.01 31.29 2peb s GLN 39 CO -0.05 -0.23 0.41 -0.51 -0.55 0.00 0.00 175.29 174.35 2peb s LEU 40 N 1.38 4.12 0.00 3.68 1.43 -1.26 -0.80 118.68 127.23 2peb s LEU 40 Ca 0.05 0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 53.60 2peb s LEU 40 Cb -0.14 -2.51 0.06 0.00 0.03 0.00 0.00 46.19 43.63 2peb s LEU 40 CO -0.08 -0.12 0.42 0.61 0.23 0.00 0.00 176.35 177.42 2peb n GLY 41 N 4.11 0.14 3.80 -3.19 0.00 0.14 -5.01 105.19 105.18 2peb n GLY 41 Ca -0.08 -1.90 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 2peb n GLY 41 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2peb s ARG 42 N -3.63 2.78 -0.20 1.61 6.06 -1.26 -4.52 118.95 119.79 2peb s ARG 42 Ca 0.26 1.06 -0.21 0.00 -2.50 0.00 0.00 55.73 54.35 2peb s ARG 42 Cb -0.01 -1.97 -0.02 0.00 0.06 0.00 0.00 34.95 33.01 2peb s ARG 42 CO 0.18 -1.23 0.65 -0.46 -2.50 0.00 0.00 175.30 171.94 2peb s TRP 43 N -2.91 3.36 -0.34 5.12 -0.11 -1.26 -3.99 118.94 118.81 2peb s TRP 43 Ca 0.60 0.94 -0.07 0.00 1.22 0.00 0.00 56.10 58.79 2peb s TRP 43 Cb -0.15 -2.82 0.04 0.00 -1.50 0.00 0.00 33.47 29.03 2peb s TRP 43 CO 0.53 -0.20 0.11 -0.06 -4.62 0.00 0.00 176.95 172.71 2peb s PHE 44 N 2.03 3.26 0.04 5.86 0.08 -1.26 -4.97 117.98 123.01 2peb s PHE 44 Ca 0.29 -1.42 0.26 0.00 0.12 0.00 0.00 56.93 56.18 2peb s PHE 44 Cb -0.16 -2.32 0.90 0.00 -0.57 0.00 0.00 43.02 40.88 2peb s PHE 44 CO 0.10 -0.73 1.81 -0.44 -0.10 0.00 0.00 175.22 175.86 2peb h ASP 45 N 8.23 0.00 -2.61 1.36 3.32 -1.96 -3.39 116.42 121.38 2peb h ASP 45 Ca -0.23 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.22 2peb h ASP 45 Cb 1.08 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.50 2peb h ASP 45 CO 0.61 0.17 -0.71 -0.54 -1.72 0.00 0.00 179.24 177.05 2peb s LYS 46 N -3.55 2.04 0.37 3.56 3.01 -1.26 -3.96 119.74 119.95 2peb s LYS 46 Ca 0.02 -1.42 -0.28 0.00 -1.01 0.00 0.00 55.97 53.28 2peb s LYS 46 Cb 0.09 -2.07 -0.11 0.00 -1.01 0.00 0.00 37.83 34.72 2peb s LYS 46 CO 0.63 0.39 1.42 -2.30 0.51 0.00 0.00 175.35 176.00 2peb n PRO 47 N -0.37 2.48 -3.88 -1.68 -0.02 -1.26 -4.32 135.00 125.94 2peb n PRO 47 Ca -0.08 0.87 -0.11 0.00 -2.02 0.00 0.00 63.50 62.15 2peb n PRO 47 Cb 0.57 -2.56 -0.13 0.00 -0.02 0.00 0.00 33.50 31.37 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 -1.12 0.03 0.00 4.25 1.10 -1.21 -5.00 121.20 119.26 2peb s ILE 48 Ca 0.54 -0.25 0.00 0.00 -0.51 0.00 0.00 60.65 60.44 2peb s ILE 48 Cb -0.50 -0.16 0.00 0.00 0.15 0.00 0.00 42.46 41.95 2peb s ILE 48 CO 0.63 -0.14 0.00 0.61 -2.11 0.00 0.00 174.94 173.94 2peb n GLY 49 N 2.60 3.81 0.07 1.50 0.00 -1.26 -1.06 105.19 110.85 2peb n GLY 49 Ca -0.16 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 0.14 -3.02 1.61 -0.04 -1.26 -4.76 135.00 141.67 2peb n PRO 50 Ca 0.00 0.24 -0.40 0.00 -0.04 0.00 0.00 63.50 63.30 2peb n PRO 50 Cb 0.00 -1.70 -0.05 0.00 -0.04 0.00 0.00 33.50 31.71 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 -3.13 3.56 -2.04 0.54 3.76 -0.23 0.03 115.29 117.79 2peb s HIS 51 Ca 0.09 1.26 0.15 0.00 -0.15 0.00 0.00 55.06 56.40 2peb s HIS 51 Cb 0.12 -2.83 0.44 0.00 1.11 0.00 0.00 32.58 31.42 2peb s HIS 51 CO 0.46 0.05 1.36 -0.35 -0.85 0.00 0.00 174.74 175.41 2peb n PRO 52 N 3.94 2.05 -3.59 8.40 -0.04 -1.26 -3.29 135.00 141.21 2peb n PRO 52 Ca -0.01 -1.63 -0.14 0.00 -0.04 0.00 0.00 63.50 61.69 2peb n PRO 52 Cb 0.51 -1.37 -0.05 0.00 -0.04 0.00 0.00 33.50 32.55 2peb n PRO 52 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2peb s LYS 53 N -1.43 1.01 0.94 0.54 1.02 -1.26 -4.82 119.74 115.75 2peb s LYS 53 Ca 0.31 -0.23 -0.13 0.00 0.02 0.00 0.00 55.97 55.94 2peb s LYS 53 Cb 0.16 0.46 0.02 0.00 -0.52 0.00 0.00 37.83 37.96 2peb s LYS 53 CO 0.22 -0.36 0.35 0.41 -0.92 0.00 0.00 175.35 175.05 2peb n GLY 54 N 0.45 -2.11 3.21 -3.33 0.00 -1.24 -4.32 105.19 97.86 2peb n GLY 54 Ca -0.18 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.35 1.25 -0.06 1.61 -0.85 -0.80 -1.05 117.35 115.10 2peb s TYR 56 Ca 0.56 -0.60 -0.04 0.00 -0.52 0.00 0.00 57.07 56.48 2peb s TYR 56 Cb -0.22 -0.66 -0.04 0.00 0.38 0.00 0.00 41.96 41.42 2peb s TYR 56 CO 0.68 0.08 0.12 -1.14 -1.52 0.00 0.00 175.55 173.77 2peb s GLN 57 N -2.74 3.30 -0.12 -3.49 0.74 -1.26 -1.54 119.66 114.55 2peb s GLN 57 Ca 0.08 -0.29 -0.00 0.00 0.05 0.00 0.00 55.36 55.19 2peb s GLN 57 Cb -0.04 -3.04 0.03 0.00 1.10 0.00 0.00 33.01 31.06 2peb s GLN 57 CO 0.02 0.72 -0.07 0.08 -0.55 0.00 0.00 175.29 175.48 2peb s VAL 58 N -1.12 1.00 -0.03 1.34 1.01 0.36 -0.68 120.40 122.28 2peb s VAL 58 Ca 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 2peb s VAL 58 Cb -0.12 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2peb s VAL 58 CO 0.10 0.34 0.06 0.00 0.00 0.00 0.00 175.10 175.60 2peb s ALA 59 N 1.72 3.50 0.06 5.51 0.00 0.02 -0.17 121.76 132.39 2peb s ALA 59 Ca 0.05 -0.85 -0.18 0.00 0.00 0.00 0.00 51.96 50.97 2peb s ALA 59 Cb -0.13 -1.55 0.04 0.00 0.00 0.00 0.00 23.12 21.48 2peb s ALA 59 CO -0.08 0.66 0.42 -0.59 0.00 0.00 0.00 175.76 176.17 2peb s PHE 60 N -1.10 -0.27 0.75 0.00 -0.71 -0.44 -0.48 117.98 115.73 2peb s PHE 60 Ca 0.20 0.20 -0.11 0.00 -1.04 0.00 0.00 56.93 56.18 2peb s PHE 60 Cb -0.12 0.23 0.04 0.00 -1.21 0.00 0.00 43.02 41.97 2peb s PHE 60 CO 0.10 -0.60 1.08 -0.51 -1.34 0.00 0.00 175.22 173.96 2peb s LEU 61 N -2.11 3.00 0.48 -1.99 1.43 -1.26 -0.75 118.68 117.48 2peb s LEU 61 Ca -0.04 1.69 0.21 0.00 -1.03 0.00 0.00 54.13 54.96 2peb s LEU 61 Cb -0.00 -4.43 1.24 0.00 0.03 0.00 0.00 46.19 43.02 2peb s LEU 61 CO -0.04 -1.84 1.96 -0.65 0.23 0.00 0.00 176.35 176.01 2peb h PRO 62 N -0.99 0.19 0.00 1.29 0.11 -1.89 -1.99 132.00 128.71 2peb h PRO 62 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2peb h PRO 62 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2peb h PRO 62 CO 0.54 0.12 0.00 0.27 -0.21 0.00 0.00 178.00 178.73 2peb n ASN 63 N -4.42 0.00 -0.55 -2.05 0.23 -1.26 -1.79 115.26 105.43 2peb n ASN 63 Ca 0.12 0.18 0.10 0.00 -0.53 0.00 0.00 54.58 54.46 2peb n ASN 63 Cb 0.59 -0.29 0.01 0.00 -2.08 0.00 0.00 39.78 38.01 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 -1.29 1.47 -0.29 -3.83 1.13 -0.75 -4.61 117.38 109.21 2peb n GLN 64 Ca 0.04 -1.12 -0.04 0.00 -1.94 0.00 0.00 57.00 53.93 2peb n GLN 64 Cb 0.07 -1.43 0.07 0.00 0.11 0.00 0.00 30.24 29.06 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 2.68 1.03 -0.08 1.08 3.57 -1.49 0.29 116.94 124.02 2peb h PHE 65 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2peb h PHE 65 Cb 0.75 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.15 2peb h PHE 65 CO 0.00 0.68 0.00 -0.40 -2.23 0.00 0.00 178.31 176.36 2peb n ASP 66 N -4.49 0.92 -0.07 0.41 5.68 -1.26 -2.02 116.55 115.72 2peb n ASP 66 Ca 0.08 -1.56 -0.09 0.00 -0.50 0.00 0.00 54.79 52.72 2peb n ASP 66 Cb 0.05 -0.05 -0.03 0.00 -1.14 0.00 0.00 41.12 39.94 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 -0.19 0.44 -0.13 0.11 5.02 -0.22 -4.55 118.16 118.64 2peb n LYS 67 Ca 0.16 0.18 -0.08 0.00 -2.02 0.00 0.00 58.31 56.54 2peb n LYS 67 Cb 0.21 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 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 -0.81 1.11 -0.02 -0.18 2.07 -0.57 -2.71 116.25 115.14 2peb h VAL 68 Ca -0.07 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 2peb h VAL 68 Cb 0.90 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2peb h VAL 68 CO -0.04 0.11 -0.23 0.58 0.02 0.00 0.00 177.57 178.01 2peb h VAL 69 N 0.54 1.51 -0.60 2.57 2.07 -1.60 -1.37 116.25 119.38 2peb h VAL 69 Ca 0.15 -1.83 0.04 0.00 0.82 0.00 0.00 66.70 65.87 2peb h VAL 69 Cb -0.05 2.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 2peb h VAL 69 CO -0.03 0.50 0.40 -0.65 0.02 0.00 0.00 177.57 177.81 2peb h PRO 70 N -0.44 0.66 -0.07 1.57 0.11 -1.74 -2.38 132.00 129.72 2peb h PRO 70 Ca -0.02 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 2peb h PRO 70 Cb 0.94 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 2peb h PRO 70 CO 0.05 0.44 0.04 2.35 -0.21 0.00 0.00 178.00 180.66 2peb h TRP 71 N 0.68 0.09 0.00 0.65 7.01 -1.21 -2.79 115.95 120.38 2peb h TRP 71 Ca 0.24 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.24 2peb h TRP 71 Cb 0.11 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.15 2peb h TRP 71 CO -0.00 0.08 0.06 1.28 -2.79 0.00 0.00 178.44 177.07 2peb n LEU 72 N -5.03 0.66 0.00 0.65 4.77 -0.54 -0.79 117.00 116.72 2peb n LEU 72 Ca -0.06 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 2peb n LEU 72 Cb 0.04 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2peb n LEU 72 CO 0.33 0.07 0.00 0.18 -1.33 0.00 0.00 177.39 176.65 2peb n LEU 74 N 2.08 0.00 0.00 2.23 4.77 -1.05 -1.25 117.00 123.78 2peb n LEU 74 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2peb n LEU 74 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2peb n LEU 74 CO 0.03 0.00 0.40 0.59 -1.33 0.00 0.00 177.39 177.08 2peb n ASN 75 N 0.00 1.40 0.03 -1.43 3.02 0.03 -4.69 115.26 113.61 2peb n ASN 75 Ca 0.00 -1.63 0.07 0.00 -0.03 0.00 0.00 54.58 52.99 2peb n ASN 75 Cb 0.00 0.00 0.29 0.00 -0.61 0.00 0.00 39.78 39.46 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 -0.31 0.03 -4.13 3.52 1.85 -0.38 -4.88 116.66 112.36 2peb n ARG 76 Ca 0.00 0.34 -0.28 0.00 -1.00 0.00 0.00 57.85 56.91 2peb n ARG 76 Cb 0.26 -1.57 -0.06 0.00 -1.05 0.00 0.00 32.46 30.04 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 -1.64 -2.23 -0.64 2.89 1.02 -1.26 -1.25 120.64 117.52 2peb n GLU 77 Ca 0.02 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 2peb n GLU 77 Cb 0.14 -4.12 0.00 0.00 -0.02 0.00 0.00 31.44 27.44 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 -2.23 1.17 3.78 0.62 0.00 -1.26 -5.02 105.19 102.25 2peb n GLY 78 Ca -0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 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 4.09 0.02 0.99 1.43 -0.38 -4.96 118.68 119.86 2peb s LEU 79 Ca 0.00 2.09 -0.20 0.00 -1.03 0.00 0.00 54.13 54.99 2peb s LEU 79 Cb 0.00 -4.23 -0.06 0.00 0.03 0.00 0.00 46.19 41.93 2peb s LEU 79 CO 0.00 -0.62 0.58 -1.81 0.23 0.00 0.00 176.35 174.74 2peb s ASP 80 N -1.55 7.00 -0.06 2.29 1.01 -1.26 -4.46 116.67 119.64 2peb s ASP 80 Ca 0.60 1.19 -0.03 0.00 0.71 0.00 0.00 52.55 55.02 2peb s ASP 80 Cb -0.23 -2.36 0.04 0.00 1.01 0.00 0.00 42.92 41.37 2peb s ASP 80 CO 0.29 0.16 0.09 -0.63 0.21 0.00 0.00 175.17 175.28 2peb s ILE 81 N -0.48 -0.14 -0.08 0.77 1.01 -0.25 -1.79 121.20 120.24 2peb s ILE 81 Ca 0.30 0.35 -0.25 0.00 0.00 0.00 0.00 60.65 61.05 2peb s ILE 81 Cb -0.19 -0.23 -0.03 0.00 0.01 0.00 0.00 42.46 42.02 2peb s ILE 81 CO 0.18 0.12 0.78 -0.22 0.00 0.00 0.00 174.94 175.79 2peb s LEU 82 N 2.19 4.30 -0.14 2.97 2.96 -0.68 -0.60 118.68 129.68 2peb s LEU 82 Ca 0.04 1.27 0.02 0.00 -0.22 0.00 0.00 54.13 55.24 2peb s LEU 82 Cb -0.12 -3.20 0.00 0.00 0.50 0.00 0.00 46.19 43.37 2peb s LEU 82 CO -0.04 -0.20 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.91 2peb s VAL 83 N 1.11 2.39 0.05 1.68 1.01 -0.22 -0.19 120.40 126.22 2peb s VAL 83 Ca 0.40 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.54 2peb s VAL 83 Cb -0.18 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 2peb s VAL 83 CO 0.19 0.53 -0.11 -1.38 0.00 0.00 0.00 175.10 174.33 2peb s HIS 84 N 0.71 0.95 0.77 5.22 -3.43 -0.22 -1.12 115.29 118.16 2peb s HIS 84 Ca -0.08 -0.42 -0.12 0.00 -0.80 0.00 0.00 55.06 53.64 2peb s HIS 84 Cb -0.16 -0.56 0.05 0.00 -1.43 0.00 0.00 32.58 30.49 2peb s HIS 84 CO 0.01 -0.01 1.14 -1.25 -2.00 0.00 0.00 174.74 172.63 2peb s PRO 85 N -1.41 2.32 -0.31 -0.38 0.04 -1.26 -0.85 135.00 133.15 2peb s PRO 85 Ca -0.04 0.29 0.03 0.00 0.04 0.00 0.00 61.00 61.33 2peb s PRO 85 Cb -0.09 -1.98 0.09 0.00 0.04 0.00 0.00 34.50 32.56 2peb s PRO 85 CO 0.01 -1.38 0.00 -1.21 0.04 0.00 0.00 177.00 174.47 2peb s GLU 86 N -5.45 1.67 0.00 4.56 0.41 0.17 -4.78 118.70 115.28 2peb s GLU 86 Ca 0.60 -1.68 0.00 0.00 -0.41 0.00 0.00 54.97 53.49 2peb s GLU 86 Cb -0.11 -3.06 0.00 0.00 -1.78 0.00 0.00 34.13 29.18 2peb s GLU 86 CO 0.51 -0.83 0.74 0.25 -0.49 0.00 0.00 175.26 175.44 2peb n THR 87 N 4.33 0.54 -0.78 3.63 -2.24 -1.26 -1.00 114.28 117.51 2peb n THR 87 Ca -0.02 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 2peb n THR 87 Cb 0.42 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 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 -0.27 0.57 2.63 3.38 0.00 -1.26 -4.96 105.19 105.27 2peb n GLY 88 Ca 0.00 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.30 3.08 0.24 1.61 -1.08 -1.26 -5.01 116.67 111.95 2peb s ASP 89 Ca 0.00 -3.09 -0.05 0.00 -0.52 0.00 0.00 52.55 48.89 2peb s ASP 89 Cb 0.00 -0.93 0.36 0.00 -1.46 0.00 0.00 42.92 40.89 2peb s ASP 89 CO 0.00 -0.18 1.83 0.00 0.52 0.00 0.00 175.17 177.33 2peb h ALA 90 N 5.98 1.16 0.06 3.66 0.00 -1.96 0.25 119.26 128.41 2peb h ALA 90 Ca 0.14 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2peb h ALA 90 Cb 0.88 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2peb h ALA 90 CO 0.49 0.16 -0.03 0.28 0.00 0.00 0.00 179.25 180.15 2peb h VAL 91 N 0.85 1.08 -0.63 0.00 2.07 -1.93 -2.27 116.25 115.43 2peb h VAL 91 Ca 0.38 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 2peb h VAL 91 Cb 0.28 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 2peb h VAL 91 CO -0.21 0.12 0.08 0.28 0.02 0.00 0.00 177.57 177.85 2peb h SER 92 N -0.29 1.00 -0.77 0.57 0.02 -1.89 -0.38 113.55 111.80 2peb h SER 92 Ca -0.01 -0.24 0.07 0.00 -0.84 0.00 0.00 61.79 60.77 2peb h SER 92 Cb 0.26 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 62.47 2peb h SER 92 CO 0.01 1.01 0.45 0.44 -1.14 0.00 0.00 176.83 177.60 2peb h ASP 93 N 0.97 0.68 0.35 3.07 3.32 -0.39 0.29 116.42 124.70 2peb h ASP 93 Ca 0.19 0.03 -0.32 0.00 0.02 0.00 0.00 57.03 56.94 2peb h ASP 93 Cb 0.45 -0.11 0.02 0.00 0.22 0.00 0.00 39.33 39.91 2peb h ASP 93 CO 0.02 0.43 -1.51 0.45 -1.72 0.00 0.00 179.24 176.90 2peb h HIS 94 N 0.81 0.73 0.04 4.55 3.86 -1.28 -3.24 115.15 120.62 2peb h HIS 94 Ca 0.35 -0.53 -0.31 0.00 -1.16 0.00 0.00 60.37 58.71 2peb h HIS 94 Cb 0.22 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.62 2peb h HIS 94 CO -0.06 1.50 -1.79 0.00 0.86 0.00 0.00 177.93 178.45 2peb n ALA 95 N -2.71 1.30 -0.03 2.45 0.00 -0.17 -4.47 120.51 116.89 2peb n ALA 95 Ca -0.17 -0.70 -0.04 0.00 0.00 0.00 0.00 53.44 52.53 2peb n ALA 95 Cb 1.07 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 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 -3.19 0.30 0.50 0.00 0.31 -0.09 -4.74 118.33 111.42 2peb n VAL 96 Ca -0.21 -0.11 0.11 0.00 -0.01 0.00 0.00 64.34 64.12 2peb n VAL 96 Cb 1.05 -0.83 0.26 0.00 -0.91 0.00 0.00 33.84 33.41 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 -2.75 0.50 -2.70 3.52 4.01 -0.17 -4.95 117.16 114.62 2peb n TYR 97 Ca -0.10 -0.25 -0.21 0.00 -0.16 0.00 0.00 57.90 57.18 2peb n TYR 97 Cb 0.60 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.69 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 -1.39 4.98 0.15 7.72 1.04 -1.22 -4.47 113.70 120.52 2peb s SER 98 Ca 0.37 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.55 2peb s SER 98 Cb 0.21 -0.44 -0.04 0.00 0.10 0.00 0.00 66.02 65.85 2peb s SER 98 CO 0.29 -1.37 0.03 -1.48 0.98 0.00 0.00 173.24 171.69 2peb s LEU 99 N -4.84 1.96 -0.03 2.42 0.05 -0.28 -5.01 118.68 112.95 2peb s LEU 99 Ca 0.61 -1.19 0.03 0.00 0.05 0.00 0.00 54.13 53.63 2peb s LEU 99 Cb -0.08 0.13 0.00 0.00 -2.05 0.00 0.00 46.19 44.18 2peb s LEU 99 CO 0.40 -0.65 -0.11 0.26 -0.55 0.00 0.00 176.35 175.69 2peb s TRP 100 N -3.86 1.17 -0.16 3.48 0.52 -1.26 -1.06 118.94 117.77 2peb s TRP 100 Ca 0.24 -0.30 -0.06 0.00 0.02 0.00 0.00 56.10 55.99 2peb s TRP 100 Cb 0.07 -0.81 -0.04 0.00 -1.15 0.00 0.00 33.47 31.54 2peb s TRP 100 CO 0.03 -0.11 0.04 -0.51 0.02 0.00 0.00 176.95 176.41 2peb s LEU 101 N 0.12 3.70 0.00 2.99 1.02 0.24 -4.96 118.68 121.79 2peb s LEU 101 Ca -0.03 0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.19 2peb s LEU 101 Cb -0.09 -1.91 0.00 0.00 0.02 0.00 0.00 46.19 44.21 2peb s LEU 101 CO 0.01 0.21 0.00 0.61 0.02 0.00 0.00 176.35 177.20 2peb n GLY 102 N 3.25 0.55 3.41 -3.19 0.00 -1.26 -1.09 105.19 106.86 2peb n GLY 102 Ca -0.17 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.00 2.83 0.48 4.61 0.00 -1.26 -4.99 121.76 121.43 2peb s ALA 103 Ca 0.00 -0.93 -0.24 0.00 0.00 0.00 0.00 51.96 50.80 2peb s ALA 103 Cb 0.00 -1.48 -0.07 0.00 0.00 0.00 0.00 23.12 21.57 2peb s ALA 103 CO 0.00 0.07 1.32 0.00 0.00 0.00 0.00 175.76 177.15 2peb s ALA 104 N 0.63 3.03 0.31 0.00 0.00 -1.26 -4.81 121.76 119.65 2peb s ALA 104 Ca -0.04 1.26 0.07 0.00 0.00 0.00 0.00 51.96 53.25 2peb s ALA 104 Cb -0.15 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 2peb s ALA 104 CO 0.03 -1.08 0.37 -0.51 0.00 0.00 0.00 175.76 174.57 2peb s LEU 105 N -3.04 3.92 -0.47 0.00 1.43 -1.26 -5.08 118.68 114.18 2peb s LEU 105 Ca 0.65 -0.23 -0.19 0.00 -1.03 0.00 0.00 54.13 53.33 2peb s LEU 105 Cb -0.38 -2.58 0.04 0.00 0.03 0.00 0.00 46.19 43.30 2peb s LEU 105 CO 0.47 -0.31 0.58 0.00 0.23 0.00 0.00 176.35 177.33 2peb s ALA 106 N -2.17 3.39 0.34 4.21 0.00 -1.26 -5.05 121.76 121.21 2peb s ALA 106 Ca 0.41 -1.57 -0.15 0.00 0.00 0.00 0.00 51.96 50.65 2peb s ALA 106 Cb -0.08 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 2peb s ALA 106 CO 0.29 -1.85 0.75 -0.51 0.00 0.00 0.00 175.76 174.43 2peb s LEU 107 N 2.54 4.03 -0.96 0.00 2.01 -1.26 -4.51 118.68 120.53 2peb s LEU 107 Ca 0.16 1.28 -0.22 0.00 0.01 0.00 0.00 54.13 55.36 2peb s LEU 107 Cb -0.18 -4.09 0.07 0.00 0.01 0.00 0.00 46.19 42.00 2peb s LEU 107 CO 0.14 -0.23 1.32 0.21 1.01 0.00 0.00 176.35 178.80 2peb s ASN 108 N -2.36 6.50 0.21 2.29 3.84 0.10 -4.83 114.94 120.70 2peb s ASN 108 Ca 0.54 -1.54 0.01 0.00 0.21 0.00 0.00 52.86 52.08 2peb s ASN 108 Cb -0.10 -2.51 0.17 0.00 -0.55 0.00 0.00 41.25 38.26 2peb s ASN 108 CO 0.19 -1.40 1.52 0.40 -2.79 0.00 0.00 177.10 175.02 2peb h ILE 109 N 6.42 1.36 -0.27 -5.21 1.08 -1.94 -3.05 117.51 115.90 2peb h ILE 109 Ca 0.13 -1.93 0.05 0.00 -0.39 0.00 0.00 64.86 62.72 2peb h ILE 109 Cb 1.02 1.93 -0.01 0.00 -3.07 0.00 0.00 36.82 36.69 2peb h ILE 109 CO 1.31 0.58 0.18 -0.08 -0.69 0.00 0.00 178.15 179.46 2peb h GLU 110 N 0.28 0.13 -0.91 2.37 4.57 -1.99 -0.17 114.58 118.87 2peb h GLU 110 Ca -0.01 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.22 2peb h GLU 110 Cb 1.13 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 29.63 2peb h GLU 110 CO 0.10 0.09 0.58 0.35 -1.18 0.00 0.00 179.01 178.95 2peb h PHE 111 N 0.14 1.07 -0.20 0.92 3.04 -1.91 0.25 116.94 120.26 2peb h PHE 111 Ca 0.12 0.03 -0.17 0.00 3.98 0.00 0.00 57.97 61.93 2peb h PHE 111 Cb 0.30 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 38.47 2peb h PHE 111 CO -0.00 0.57 -0.54 -0.07 -2.02 0.00 0.00 178.31 176.25 2peb h LEU 112 N 1.07 0.82 -0.48 0.59 3.38 -1.19 -2.93 115.31 116.56 2peb h LEU 112 Ca 0.39 -0.58 0.04 0.00 0.09 0.00 0.00 57.88 57.82 2peb h LEU 112 Cb 0.12 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2peb h LEU 112 CO -0.16 1.25 0.23 0.03 0.09 0.00 0.00 178.44 179.89 2peb h ARG 113 N 0.42 0.45 -0.76 1.13 3.08 -0.75 -1.84 114.38 116.11 2peb h ARG 113 Ca -0.01 -0.03 0.14 0.00 0.07 0.00 0.00 59.98 60.15 2peb h ARG 113 Cb 1.16 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 31.06 2peb h ARG 113 CO 0.12 0.30 0.51 0.37 -1.07 0.00 0.00 179.97 180.19 2peb h GLN 114 N 0.46 0.45 -0.10 0.04 5.75 -0.95 0.16 115.11 120.93 2peb h GLN 114 Ca 0.21 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.72 2peb h GLN 114 Cb 0.14 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.58 2peb h GLN 114 CO -0.16 0.30 0.32 -0.07 -2.65 0.00 0.00 178.83 176.57 2peb h LEU 115 N 0.46 0.00 0.00 -2.39 -0.00 -1.14 -3.51 115.31 108.73 2peb h LEU 115 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.25 2peb h LEU 115 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.45 2peb h LEU 115 CO -0.13 0.00 0.00 -0.24 -0.00 0.00 0.00 178.44 178.07