#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jug h PRO 2 N 0.00 -0.46 -0.85 1.61 0.11 -2.03 -3.43 132.00 126.95 2jug h PRO 2 Ca 0.00 0.03 0.11 0.00 0.11 0.00 0.00 66.00 66.25 2jug h PRO 2 Cb 0.00 0.10 -0.21 0.00 0.11 0.00 0.00 31.00 31.01 2jug h PRO 2 CO 0.00 -0.31 -0.21 -1.17 -0.21 0.00 0.00 178.00 176.11 2jug s LEU 3 N -10.34 -1.22 0.00 2.35 2.96 -1.26 -5.08 118.68 106.08 2jug s LEU 3 Ca -0.16 0.61 0.00 0.00 -0.22 0.00 0.00 54.13 54.37 2jug s LEU 3 Cb 0.09 1.97 0.00 0.00 0.50 0.00 0.00 46.19 48.74 2jug s LEU 3 CO 0.65 -0.23 0.00 0.61 -1.32 0.00 0.00 176.35 176.06 2jug n GLY 4 N 5.42 1.06 0.85 7.98 0.00 -1.26 -5.10 105.19 114.14 2jug n GLY 4 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2jug n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jug n SER 5 N 0.00 -5.12 0.00 1.61 2.88 -1.26 -4.83 113.62 106.90 2jug n SER 5 Ca 0.00 0.57 0.11 0.00 -1.33 0.00 0.00 58.87 58.22 2jug n SER 5 Cb 0.00 -1.74 -0.12 0.00 -0.75 0.00 0.00 64.21 61.60 2jug n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2jug n SER 6 N 0.07 0.39 0.06 -3.46 7.64 -1.26 -3.77 113.62 113.29 2jug n SER 6 Ca 0.00 -0.26 -0.08 0.00 1.01 0.00 0.00 58.87 59.53 2jug n SER 6 Cb 0.00 1.48 0.04 0.00 -1.01 0.00 0.00 64.21 64.73 2jug n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jug h ALA 7 N 2.33 0.64 -0.83 -0.43 0.00 -1.99 -2.31 119.26 116.68 2jug h ALA 7 Ca 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 54.91 54.32 2jug h ALA 7 Cb 0.83 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2jug h ALA 7 CO 0.00 0.78 0.55 0.78 0.00 0.00 0.00 179.25 181.36 2jug h GLY 8 N 1.42 1.17 1.09 0.00 0.00 -1.88 0.39 103.07 105.26 2jug h GLY 8 Ca -0.03 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 46.77 2jug h GLY 8 CO 0.12 0.38 -0.12 0.00 0.00 0.00 0.00 176.54 176.92 2jug h ALA 9 N 1.50 0.73 -0.28 3.60 0.00 -1.71 0.39 119.26 123.49 2jug h ALA 9 Ca 0.32 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2jug h ALA 9 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2jug h ALA 9 CO -0.08 0.66 0.15 1.25 0.00 0.00 0.00 179.25 181.22 2jug h LEU 10 N 0.89 0.36 -0.24 0.00 5.85 -0.80 0.04 115.31 121.41 2jug h LEU 10 Ca 0.13 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2jug h LEU 10 Cb 0.69 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2jug h LEU 10 CO 0.05 0.35 0.15 0.25 -0.34 0.00 0.00 178.44 178.90 2jug h LEU 11 N 0.34 0.28 -0.05 2.25 7.12 -0.08 -0.17 115.31 125.00 2jug h LEU 11 Ca 0.10 -0.03 0.02 0.00 0.13 0.00 0.00 57.88 58.10 2jug h LEU 11 Cb 0.07 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.12 2jug h LEU 11 CO -0.02 0.22 -0.04 0.00 -0.13 0.00 0.00 178.44 178.48 2jug h ALA 12 N 1.07 0.00 0.00 1.25 0.00 0.04 0.18 119.26 121.80 2jug h ALA 12 Ca 0.09 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2jug h ALA 12 Cb -0.01 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2jug h ALA 12 CO -0.02 -0.52 -0.57 1.12 0.00 0.00 0.00 179.25 179.26 2jug h HIS 13 N -0.05 0.00 -0.21 0.00 2.07 -0.92 0.10 115.15 116.14 2jug h HIS 13 Ca 0.04 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.49 2jug h HIS 13 Cb 0.10 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.08 2jug h HIS 13 CO -0.14 0.57 -0.13 0.00 -3.07 0.00 0.00 177.93 175.17 2jug h ALA 14 N 1.43 0.30 -0.65 6.11 0.00 -0.73 -2.13 119.26 123.58 2jug h ALA 14 Ca -0.01 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 2jug h ALA 14 Cb 1.18 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2jug h ALA 14 CO 0.07 0.16 0.14 0.00 0.00 0.00 0.00 179.25 179.62 2jug h ALA 15 N 0.69 1.01 -0.13 0.00 0.00 -0.45 0.28 119.26 120.65 2jug h ALA 15 Ca 0.04 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2jug h ALA 15 Cb 0.63 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2jug h ALA 15 CO 0.04 0.64 -0.20 0.77 0.00 0.00 0.00 179.25 180.50 2jug h SER 16 N 0.99 0.21 0.99 0.00 0.02 -0.94 -2.14 113.55 112.69 2jug h SER 16 Ca 0.20 -0.05 -0.16 0.00 -0.84 0.00 0.00 61.79 60.94 2jug h SER 16 Cb 0.38 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 2jug h SER 16 CO 0.01 0.43 -1.07 -0.07 -1.14 0.00 0.00 176.83 174.98 2jug h LEU 17 N 0.21 0.00 -0.29 5.07 3.38 -1.03 -3.48 115.31 119.17 2jug h LEU 17 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2jug h LEU 17 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2jug h LEU 17 CO 0.03 0.64 0.00 0.61 0.09 0.00 0.00 178.44 179.81 2jug n GLY 18 N 1.35 0.69 3.67 0.83 0.00 0.91 -4.60 105.19 108.02 2jug n GLY 18 Ca -0.05 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 2jug n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jug s VAL 19 N -2.29 3.95 -0.06 1.61 1.01 -0.72 -4.56 120.40 119.34 2jug s VAL 19 Ca 0.00 1.19 0.03 0.00 0.00 0.00 0.00 61.98 63.20 2jug s VAL 19 Cb 0.00 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.62 2jug s VAL 19 CO 0.00 -0.08 -0.16 -0.13 0.00 0.00 0.00 175.10 174.73 2jug s ARG 20 N 3.45 1.94 -0.07 2.72 0.52 0.90 -4.78 118.95 123.63 2jug s ARG 20 Ca 0.63 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 55.29 2jug s ARG 20 Cb -0.27 -1.59 0.02 0.00 0.52 0.00 0.00 34.95 33.63 2jug s ARG 20 CO 0.22 0.12 -0.06 -0.51 0.02 0.00 0.00 175.30 175.09 2jug s LEU 21 N 0.41 1.21 -0.05 2.53 1.02 -1.26 -0.27 118.68 122.27 2jug s LEU 21 Ca -0.12 -0.19 -0.03 0.00 0.02 0.00 0.00 54.13 53.81 2jug s LEU 21 Cb -0.15 -0.62 0.03 0.00 0.02 0.00 0.00 46.19 45.47 2jug s LEU 21 CO 0.04 -0.08 0.12 -1.66 0.02 0.00 0.00 176.35 174.80 2jug s TRP 22 N 1.26 -0.13 -0.19 0.29 -2.14 -0.92 -4.13 118.94 112.97 2jug s TRP 22 Ca -0.05 0.38 -0.17 0.00 2.66 0.00 0.00 56.10 58.92 2jug s TRP 22 Cb -0.14 -0.04 -0.04 0.00 -3.10 0.00 0.00 33.47 30.16 2jug s TRP 22 CO -0.02 -0.11 0.46 0.54 -2.66 0.00 0.00 176.95 175.16 2jug s VAL 23 N 0.67 5.15 -0.19 -0.66 0.11 -1.26 -0.18 120.40 124.05 2jug s VAL 23 Ca -0.05 0.85 0.01 0.00 -2.93 0.00 0.00 61.98 59.87 2jug s VAL 23 Cb -0.07 -3.79 0.03 0.00 -1.53 0.00 0.00 36.38 31.02 2jug s VAL 23 CO -0.03 0.23 -0.17 -0.70 -3.33 0.00 0.00 175.10 171.10 2jug s GLU 24 N 1.37 2.67 3.41 1.54 2.12 0.44 -4.94 118.70 125.30 2jug s GLU 24 Ca 0.22 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.70 2jug s GLU 24 Cb -0.15 -2.51 0.00 0.00 0.26 0.00 0.00 34.13 31.73 2jug s GLU 24 CO 0.09 -0.28 0.00 0.41 -0.54 0.00 0.00 175.26 174.94 2jug n GLY 25 N 4.63 1.21 0.00 -1.50 0.00 -1.26 -1.95 105.19 106.32 2jug n GLY 25 Ca -0.19 0.29 0.02 0.00 0.00 0.00 0.00 46.02 46.14 2jug n GLY 25 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2jug n GLU 26 N 0.00 2.23 -4.88 1.61 0.28 -1.26 -5.05 120.64 113.57 2jug n GLU 26 Ca 0.00 -0.02 -0.33 0.00 -0.16 0.00 0.00 57.16 56.65 2jug n GLU 26 Cb 0.00 -0.93 -0.14 0.00 1.43 0.00 0.00 31.44 31.80 2jug n GLU 26 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2jug s ARG 27 N -1.91 2.89 -0.10 3.44 6.06 -0.82 -5.08 118.95 123.42 2jug s ARG 27 Ca -0.00 -0.71 -0.30 0.00 -2.50 0.00 0.00 55.73 52.22 2jug s ARG 27 Cb 0.02 -2.46 -0.02 0.00 0.06 0.00 0.00 34.95 32.56 2jug s ARG 27 CO 0.15 0.42 1.09 -1.17 -2.50 0.00 0.00 175.30 173.29 2jug s LEU 28 N -0.21 4.24 -0.04 -0.88 1.98 -1.26 -0.42 118.68 122.09 2jug s LEU 28 Ca 0.00 1.62 -0.04 0.00 -2.89 0.00 0.00 54.13 52.83 2jug s LEU 28 Cb -0.13 -3.56 -0.04 0.00 0.66 0.00 0.00 46.19 43.12 2jug s LEU 28 CO 0.03 -0.52 0.15 -0.13 -1.89 0.00 0.00 176.35 173.98 2jug s ARG 29 N 2.22 3.36 -0.09 1.98 3.00 0.74 -4.95 118.95 125.22 2jug s ARG 29 Ca 0.51 -0.29 0.05 0.00 0.00 0.00 0.00 55.73 55.99 2jug s ARG 29 Cb -0.20 -3.08 -0.00 0.00 0.00 0.00 0.00 34.95 31.67 2jug s ARG 29 CO 0.18 0.70 -0.24 0.12 0.00 0.00 0.00 175.30 176.07 2jug s PHE 30 N -1.20 2.53 -0.19 -0.53 2.19 -1.26 -2.18 117.98 117.34 2jug s PHE 30 Ca 0.22 -0.91 0.00 0.00 0.33 0.00 0.00 56.93 56.57 2jug s PHE 30 Cb -0.12 -1.68 0.04 0.00 -1.31 0.00 0.00 43.02 39.95 2jug s PHE 30 CO 0.13 -0.34 -0.08 -1.14 1.83 0.00 0.00 175.22 175.63 2jug s GLN 31 N 0.16 1.75 -0.18 10.12 2.00 0.63 -5.01 119.66 129.13 2jug s GLN 31 Ca -0.13 -0.73 -0.09 0.00 -2.00 0.00 0.00 55.36 52.41 2jug s GLN 31 Cb -0.16 -2.28 0.07 0.00 0.80 0.00 0.00 33.01 31.44 2jug s GLN 31 CO 0.07 -0.45 0.42 0.00 -0.50 0.00 0.00 175.29 174.83 2jug s ALA 32 N 1.49 -1.09 0.74 1.58 0.00 -1.26 -0.07 121.76 123.15 2jug s ALA 32 Ca -0.01 1.53 -0.14 0.00 0.00 0.00 0.00 51.96 53.35 2jug s ALA 32 Cb -0.16 -1.06 0.04 0.00 0.00 0.00 0.00 23.12 21.94 2jug s ALA 32 CO -0.08 -0.42 1.15 -2.14 0.00 0.00 0.00 175.76 174.28 2jug s PRO 33 N 1.79 2.22 0.10 0.00 0.02 -1.26 -4.91 135.00 132.96 2jug s PRO 33 Ca -0.07 1.55 -0.31 0.00 0.02 0.00 0.00 61.00 62.19 2jug s PRO 33 Cb -0.09 -1.86 -0.10 0.00 0.02 0.00 0.00 34.50 32.46 2jug s PRO 33 CO -0.13 -1.73 1.88 -1.25 -0.33 0.00 0.00 177.00 175.44 2jug s PRO 34 N -4.18 4.13 0.00 5.54 0.04 -1.26 -2.66 135.00 136.62 2jug s PRO 34 Ca 0.69 2.62 0.00 0.00 0.04 0.00 0.00 61.00 64.35 2jug s PRO 34 Cb -0.24 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.55 2jug s PRO 34 CO 0.47 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 177.04 2jug n GLY 35 N 4.34 1.74 0.16 0.56 0.00 -1.26 -4.90 105.19 105.83 2jug n GLY 35 Ca 0.18 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2jug n GLY 35 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2jug h VAL 36 N 0.00 0.00 -0.04 1.61 -1.51 -1.88 -3.33 116.25 111.10 2jug h VAL 36 Ca 0.00 -0.99 -0.00 0.00 -1.23 0.00 0.00 66.70 64.48 2jug h VAL 36 Cb 0.00 1.73 -0.00 0.00 -2.13 0.00 0.00 31.29 30.89 2jug h VAL 36 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 177.57 177.14 2jug n MET 37 N -2.87 1.27 -1.60 5.19 0.00 -1.26 -4.69 117.12 113.16 2jug n MET 37 Ca 0.02 -0.22 -0.43 0.00 0.00 0.00 0.00 57.70 57.07 2jug n MET 37 Cb 0.54 -1.54 0.00 0.00 0.00 0.00 0.00 33.22 32.22 2jug n MET 37 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2jug n THR 38 N 0.05 2.20 -0.34 1.12 -2.24 -1.25 -4.76 114.28 109.06 2jug n THR 38 Ca 0.02 -0.50 0.22 0.00 -2.27 0.00 0.00 64.05 61.52 2jug n THR 38 Cb 0.32 -1.11 0.47 0.00 -2.10 0.00 0.00 70.33 67.91 2jug n THR 38 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2jug h PRO 39 N 1.76 0.42 -0.91 -0.78 0.11 -1.97 0.20 132.00 130.84 2jug h PRO 39 Ca -0.43 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 2jug h PRO 39 Cb 1.34 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 2jug h PRO 39 CO 0.58 0.28 0.50 1.49 -0.21 0.00 0.00 178.00 180.65 2jug h GLU 40 N 0.44 1.27 -0.54 1.05 4.81 -1.95 -2.06 114.58 117.59 2jug h GLU 40 Ca 0.65 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 2jug h GLU 40 Cb 1.50 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 2jug h GLU 40 CO -0.42 0.92 0.34 1.25 -0.73 0.00 0.00 179.01 180.38 2jug h LEU 41 N 1.27 0.63 -1.11 1.64 5.85 -0.88 0.12 115.31 122.83 2jug h LEU 41 Ca 0.32 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.07 2jug h LEU 41 Cb 0.02 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 2jug h LEU 41 CO -0.05 0.47 0.61 -0.61 -0.34 0.00 0.00 178.44 178.52 2jug h GLN 42 N 0.73 1.04 0.00 1.25 5.75 -1.19 0.30 115.11 122.99 2jug h GLN 42 Ca 0.20 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.54 2jug h GLN 42 Cb -0.06 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.25 2jug h GLN 42 CO -0.04 0.69 -0.43 1.03 -2.65 0.00 0.00 178.83 177.42 2jug h SER 43 N 1.07 0.00 -0.16 -0.69 0.87 -0.60 0.10 113.55 114.14 2jug h SER 43 Ca 0.40 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.76 2jug h SER 43 Cb 0.19 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.16 2jug h SER 43 CO -0.15 0.43 -0.68 0.03 -0.53 0.00 0.00 176.83 175.93 2jug h ARG 44 N 0.00 0.75 -0.84 2.24 2.47 0.98 -2.99 114.38 116.98 2jug h ARG 44 Ca -0.00 -0.59 0.01 0.00 -1.26 0.00 0.00 59.98 58.14 2jug h ARG 44 Cb 0.78 0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 29.17 2jug h ARG 44 CO 0.06 1.20 0.55 -0.07 0.56 0.00 0.00 179.97 182.26 2jug h LEU 45 N 0.46 0.98 0.00 3.04 3.38 -0.22 -3.46 115.31 119.49 2jug h LEU 45 Ca -0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2jug h LEU 45 Cb 1.31 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2jug h LEU 45 CO 0.14 0.72 0.00 0.61 0.09 0.00 0.00 178.44 180.00 2jug n GLY 46 N -1.38 2.97 2.38 0.83 0.00 -0.00 -4.01 105.19 105.98 2jug n GLY 46 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 2jug n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jug n GLY 47 N -1.35 1.26 3.83 -0.02 0.00 -1.26 -4.99 105.19 102.66 2jug n GLY 47 Ca 0.00 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 2jug n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jug s ALA 48 N -2.39 3.19 -0.01 4.61 0.00 -1.26 -4.98 121.76 120.92 2jug s ALA 48 Ca 0.00 0.23 -0.25 0.00 0.00 0.00 0.00 51.96 51.94 2jug s ALA 48 Cb 0.00 -2.96 -0.19 0.00 0.00 0.00 0.00 23.12 19.96 2jug s ALA 48 CO 0.00 0.23 1.27 0.07 0.00 0.00 0.00 175.76 177.33 2jug h ARG 49 N 2.15 -0.05 -0.27 0.00 0.11 -1.96 -1.55 114.38 112.82 2jug h ARG 49 Ca -0.48 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.58 2jug h ARG 49 Cb 1.18 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.25 2jug h ARG 49 CO 0.63 0.39 0.09 1.12 0.10 0.00 0.00 179.97 182.31 2jug h HIS 50 N -0.50 0.37 0.09 4.08 2.07 -2.00 -1.18 115.15 118.08 2jug h HIS 50 Ca -0.00 -0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.50 2jug h HIS 50 Cb 0.46 -0.12 0.00 0.00 2.57 0.00 0.00 27.41 30.32 2jug h HIS 50 CO 0.08 0.31 -0.04 0.93 -3.07 0.00 0.00 177.93 176.14 2jug h GLU 51 N 0.38 -0.11 0.00 5.12 3.07 -1.89 -2.81 114.58 118.34 2jug h GLU 51 Ca 0.09 0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.90 2jug h GLU 51 Cb 0.11 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 2jug h GLU 51 CO -0.01 0.20 -0.30 -0.07 -1.40 0.00 0.00 179.01 177.43 2jug h LEU 52 N -0.43 0.00 -0.17 1.33 3.38 -0.88 -0.15 115.31 118.38 2jug h LEU 52 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jug h LEU 52 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2jug h LEU 52 CO 0.02 0.30 0.10 0.40 0.09 0.00 0.00 178.44 179.35 2jug h ILE 53 N 0.00 1.08 0.00 1.22 2.04 -1.15 -0.29 117.51 120.41 2jug h ILE 53 Ca -0.00 -0.20 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 2jug h ILE 53 Cb 0.68 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 2jug h ILE 53 CO 0.04 0.08 -0.32 0.00 0.00 0.00 0.00 178.15 177.95 2jug h ALA 54 N 1.02 1.24 -0.34 1.87 0.00 -1.12 -0.39 119.26 121.53 2jug h ALA 54 Ca 0.06 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 2jug h ALA 54 Cb 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2jug h ALA 54 CO -0.01 0.40 -0.37 1.25 0.00 0.00 0.00 179.25 180.52 2jug h LEU 55 N 0.00 0.83 -0.06 0.00 7.12 -0.51 -1.78 115.31 120.90 2jug h LEU 55 Ca -0.00 -0.36 -0.14 0.00 0.13 0.00 0.00 57.88 57.50 2jug h LEU 55 Cb 0.66 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.54 2jug h LEU 55 CO 0.04 1.11 -0.66 0.25 -0.13 0.00 0.00 178.44 179.05 2jug h LEU 56 N 0.65 0.00 -1.71 2.25 5.85 -0.80 -3.06 115.31 118.49 2jug h LEU 56 Ca 0.06 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2jug h LEU 56 Cb 0.92 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 2jug h LEU 56 CO 0.08 0.66 -0.18 -0.09 -0.34 0.00 0.00 178.44 178.58 2jug h ARG 57 N 0.00 0.00 0.00 1.25 2.43 -0.60 -1.25 114.38 116.20 2jug h ARG 57 Ca -0.01 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 2jug h ARG 57 Cb 1.48 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.02 2jug h ARG 57 CO 0.09 0.18 -0.26 -0.56 -1.51 0.00 0.00 179.97 177.91 2jug h GLN 58 N 0.00 0.00 0.00 0.20 3.07 -1.23 -2.59 115.11 114.56 2jug h GLN 58 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2jug h GLN 58 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.96 2jug h GLN 58 CO 0.02 0.26 0.00 -0.07 0.09 0.00 0.00 178.83 179.13 2jug h LEU 59 N 0.00 0.00 -8.45 0.06 3.38 -1.33 -3.40 115.31 105.57 2jug h LEU 59 Ca -0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.31 2jug h LEU 59 Cb 0.53 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.12 2jug h LEU 59 CO 0.03 0.00 0.25 -1.10 0.09 0.00 0.00 178.44 177.72 2jug s GLN 60 N -3.44 3.22 -1.05 1.13 -0.21 -0.98 -4.98 119.66 113.35 2jug s GLN 60 Ca 0.04 -0.59 -0.24 0.00 0.02 0.00 0.00 55.36 54.60 2jug s GLN 60 Cb 0.08 -4.06 -0.06 0.00 1.00 0.00 0.00 33.01 29.96 2jug s GLN 60 CO 0.58 -1.30 1.93 -2.14 -2.12 0.00 0.00 175.29 172.25 2jug s PRO 61 N 3.15 2.55 5.46 2.91 0.02 -1.26 -4.79 135.00 143.04 2jug s PRO 61 Ca 0.22 -0.75 0.00 0.00 0.02 0.00 0.00 61.00 60.49 2jug s PRO 61 Cb -0.16 -5.16 0.00 0.00 0.02 0.00 0.00 34.50 29.20 2jug s PRO 61 CO 0.16 -3.65 0.00 0.43 -0.33 0.00 0.00 177.00 173.60 2jug n SER 62 N 14.07 0.00 0.00 2.53 7.64 -1.26 -2.44 113.62 134.16 2jug n SER 62 Ca 0.42 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.30 2jug n SER 62 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 2jug n SER 62 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jug n SER 63 N 11.10 0.12 0.00 6.43 7.64 -1.26 -4.99 113.62 132.66 2jug n SER 63 Ca 0.00 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 58.86 2jug n SER 63 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2jug n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jug n GLN 64 N -0.01 0.00 0.01 1.43 3.00 -1.02 -5.11 117.38 115.68 2jug n GLN 64 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2jug n GLN 64 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.52 2jug n GLN 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jug n GLY 65 N 2.15 -0.34 3.56 1.08 0.00 -1.13 -4.88 105.19 105.63 2jug n GLY 65 Ca 0.00 0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2jug n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jug s GLY 66 N -2.00 -0.00 -0.77 -0.02 0.00 -1.26 -4.78 107.32 98.49 2jug s GLY 66 Ca 0.00 -0.14 -0.15 0.00 0.00 0.00 0.00 44.72 44.43 2jug s GLY 66 CO 0.00 3.76 0.72 -0.56 0.00 0.00 0.00 173.10 177.02 2jug s SER 67 N 9.75 6.64 0.22 1.64 0.01 -1.26 -4.92 113.70 125.78 2jug s SER 67 Ca 0.85 -2.48 -0.14 0.00 1.31 0.00 0.00 55.95 55.49 2jug s SER 67 Cb -0.17 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.85 2jug s SER 67 CO 0.25 -0.65 0.48 -0.22 0.41 0.00 0.00 173.24 173.51 2jug s LEU 68 N 0.55 0.32 -0.05 2.44 2.96 -1.26 -5.08 118.68 118.56 2jug s LEU 68 Ca 0.15 -0.79 -0.03 0.00 -0.22 0.00 0.00 54.13 53.24 2jug s LEU 68 Cb -0.14 1.84 -0.02 0.00 0.50 0.00 0.00 46.19 48.37 2jug s LEU 68 CO -0.06 -1.10 0.19 -0.07 -1.32 0.00 0.00 176.35 173.98 2jug h LEU 69 N 2.27 -0.10 -2.76 -0.68 3.38 -2.06 -3.50 115.31 111.85 2jug h LEU 69 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2jug h LEU 69 Cb 1.25 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2jug h LEU 69 CO 0.37 0.21 -0.90 0.00 0.09 0.00 0.00 178.44 178.21 2jug n ALA 70 N -2.50 -2.50 0.95 1.53 0.00 -1.26 -4.82 120.51 111.91 2jug n ALA 70 Ca -0.02 0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2jug n ALA 70 Cb 0.05 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.15 2jug n ALA 70 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2jug n PRO 71 N 1.45 0.95 -2.26 0.00 -0.02 -1.26 -4.84 135.00 129.02 2jug n PRO 71 Ca -0.07 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.98 2jug n PRO 71 Cb 0.29 -1.23 -0.02 0.00 -0.02 0.00 0.00 33.50 32.51 2jug n PRO 71 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jug s VAL 72 N -0.43 3.79 0.78 -1.45 0.11 -1.26 -5.00 120.40 116.94 2jug s VAL 72 Ca 0.00 0.80 -0.13 0.00 -2.93 0.00 0.00 61.98 59.73 2jug s VAL 72 Cb 0.00 -4.07 0.18 0.00 -1.53 0.00 0.00 36.38 30.96 2jug s VAL 72 CO 0.00 -0.68 1.06 0.00 -3.33 0.00 0.00 175.10 172.14 2jug n ALA 73 N 9.21 -1.17 0.63 1.54 0.00 -1.26 -4.96 120.51 124.50 2jug n ALA 73 Ca 0.18 -1.40 0.09 0.00 0.00 0.00 0.00 53.44 52.31 2jug n ALA 73 Cb 0.48 -0.05 0.25 0.00 0.00 0.00 0.00 19.45 20.13 2jug n ALA 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jug n ARG 74 N -3.23 2.08 -1.34 0.00 1.74 -1.26 -5.02 116.66 109.63 2jug n ARG 74 Ca 0.13 -1.66 0.00 0.00 -0.77 0.00 0.00 57.85 55.56 2jug n ARG 74 Cb 0.47 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 2jug n ARG 74 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jug n ASN 75 N 0.85 -6.71 -3.67 0.55 3.02 -1.26 -4.69 115.26 103.35 2jug n ASN 75 Ca 0.17 0.88 -0.42 0.00 -0.03 0.00 0.00 54.58 55.17 2jug n ASN 75 Cb 0.42 -3.23 -0.03 0.00 -0.61 0.00 0.00 39.78 36.33 2jug n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jug n GLY 76 N 0.62 3.55 0.23 7.41 0.00 -1.26 -4.55 105.19 111.19 2jug n GLY 76 Ca 0.00 -1.44 0.16 0.00 0.00 0.00 0.00 46.02 44.74 2jug n GLY 76 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jug h ARG 77 N 6.88 0.00 -0.00 1.61 0.11 -2.04 -3.57 114.38 117.36 2jug h ARG 77 Ca 0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.58 2jug h ARG 77 Cb 0.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.73 2jug h ARG 77 CO 1.92 0.00 0.00 1.28 0.10 0.00 0.00 179.97 183.27