#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jug s PRO 2 N 0.00 4.11 0.02 1.61 0.02 -1.26 -4.90 135.00 134.60 2jug s PRO 2 Ca 0.00 2.22 -0.12 0.00 0.02 0.00 0.00 61.00 63.12 2jug s PRO 2 Cb 0.00 -4.03 -0.33 0.00 0.02 0.00 0.00 34.50 30.15 2jug s PRO 2 CO 0.00 -0.94 0.94 1.25 -0.33 0.00 0.00 177.00 177.92 2jug h LEU 3 N 10.57 0.72 -8.38 -5.54 5.85 -2.11 -3.42 115.31 112.99 2jug h LEU 3 Ca -0.41 -0.83 -0.39 0.00 0.84 0.00 0.00 57.88 57.09 2jug h LEU 3 Cb 1.19 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 2jug h LEU 3 CO 0.96 1.66 1.06 -0.83 -0.34 0.00 0.00 178.44 180.95 2jug s GLY 4 N -4.74 0.14 -1.17 3.75 0.00 -1.26 -4.89 107.32 99.14 2jug s GLY 4 Ca -0.10 -1.00 -0.20 0.00 0.00 0.00 0.00 44.72 43.42 2jug s GLY 4 CO 0.91 3.50 1.66 -0.45 0.00 0.00 0.00 173.10 178.73 2jug s SER 5 N 8.31 6.50 -0.61 1.64 0.15 -1.26 -4.43 113.70 124.00 2jug s SER 5 Ca 0.70 -1.95 -0.10 0.00 0.70 0.00 0.00 55.95 55.30 2jug s SER 5 Cb -0.10 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.65 2jug s SER 5 CO 0.11 -1.51 0.65 -1.20 1.20 0.00 0.00 173.24 172.49 2jug n SER 6 N 9.30 -7.24 -0.09 5.45 7.64 -1.26 -4.82 113.62 122.60 2jug n SER 6 Ca 0.43 0.03 -0.09 0.00 1.01 0.00 0.00 58.87 60.25 2jug n SER 6 Cb 0.48 -4.49 0.06 0.00 -1.01 0.00 0.00 64.21 59.26 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 1.31 0.81 -0.75 -0.43 0.00 -1.99 -2.31 119.26 115.89 2jug h ALA 7 Ca -0.14 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.39 2jug h ALA 7 Cb 1.10 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2jug h ALA 7 CO 0.26 0.65 0.50 0.78 0.00 0.00 0.00 179.25 181.44 2jug h GLY 8 N 0.94 1.05 1.02 0.00 0.00 -1.97 0.17 103.07 104.29 2jug h GLY 8 Ca 0.09 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 2jug h GLY 8 CO 0.07 0.37 0.01 0.00 0.00 0.00 0.00 176.54 176.99 2jug h ALA 9 N 1.54 0.70 -0.31 3.60 0.00 -1.84 0.46 119.26 123.40 2jug h ALA 9 Ca 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jug h ALA 9 Cb -0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2jug h ALA 9 CO -0.06 0.50 0.16 1.25 0.00 0.00 0.00 179.25 181.10 2jug h LEU 10 N 0.78 0.41 -0.26 0.00 5.85 -0.85 -0.50 115.31 120.73 2jug h LEU 10 Ca 0.15 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2jug h LEU 10 Cb 0.51 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2jug h LEU 10 CO 0.02 0.40 0.17 0.25 -0.34 0.00 0.00 178.44 178.95 2jug h LEU 11 N 0.38 0.31 0.13 2.25 7.12 -0.51 -1.76 115.31 123.23 2jug h LEU 11 Ca 0.11 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.10 2jug h LEU 11 Cb 0.10 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.15 2jug h LEU 11 CO -0.02 0.23 -0.07 0.00 -0.13 0.00 0.00 178.44 178.46 2jug h ALA 12 N 1.09 -0.18 0.00 1.25 0.00 0.19 0.18 119.26 121.79 2jug h ALA 12 Ca 0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2jug h ALA 12 Cb -0.03 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2jug h ALA 12 CO -0.02 -0.60 -0.35 1.12 0.00 0.00 0.00 179.25 179.40 2jug h HIS 13 N -0.18 0.00 -0.12 0.00 2.07 -1.08 -0.76 115.15 115.07 2jug h HIS 13 Ca -0.02 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.31 2jug h HIS 13 Cb 0.14 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.12 2jug h HIS 13 CO -0.07 0.35 -0.72 0.00 -3.07 0.00 0.00 177.93 174.42 2jug h ALA 14 N 1.65 0.51 -0.44 6.11 0.00 -0.95 -3.04 119.26 123.10 2jug h ALA 14 Ca -0.00 -0.59 -0.12 0.00 0.00 0.00 0.00 54.91 54.20 2jug h ALA 14 Cb 0.77 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2jug h ALA 14 CO 0.05 0.73 -0.20 0.00 0.00 0.00 0.00 179.25 179.82 2jug h ALA 15 N 0.81 0.81 0.00 0.00 0.00 0.10 0.24 119.26 121.22 2jug h ALA 15 Ca -0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2jug h ALA 15 Cb 1.31 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2jug h ALA 15 CO 0.13 0.65 -0.07 0.66 0.00 0.00 0.00 179.25 180.63 2jug h SER 16 N 0.76 0.00 0.21 0.00 4.64 -1.17 -2.55 113.55 115.45 2jug h SER 16 Ca 0.11 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.25 2jug h SER 16 Cb 0.74 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.79 2jug h SER 16 CO 0.06 0.07 -1.96 0.18 -0.87 0.00 0.00 176.83 174.31 2jug n LEU 17 N -3.29 0.25 -0.32 5.97 4.77 -0.99 -5.01 117.00 118.38 2jug n LEU 17 Ca -0.01 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2jug n LEU 17 Cb 0.26 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2jug n LEU 17 CO 0.28 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2jug n GLY 18 N 1.47 0.87 3.66 -0.72 0.00 0.75 -4.71 105.19 106.50 2jug n GLY 18 Ca -0.16 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.64 4.36 -0.11 1.61 1.01 -0.63 -4.65 120.40 119.36 2jug s VAL 19 Ca 0.00 1.65 0.04 0.00 0.00 0.00 0.00 61.98 63.67 2jug s VAL 19 Cb 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2jug s VAL 19 CO 0.00 -0.14 -0.23 -0.13 0.00 0.00 0.00 175.10 174.59 2jug s ARG 20 N 3.40 3.03 -0.07 2.72 0.52 0.30 -4.81 118.95 124.05 2jug s ARG 20 Ca 0.53 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.86 2jug s ARG 20 Cb -0.20 -2.32 0.02 0.00 0.52 0.00 0.00 34.95 32.97 2jug s ARG 20 CO 0.13 0.14 -0.04 -0.51 0.02 0.00 0.00 175.30 175.03 2jug s LEU 21 N 0.45 1.08 -0.01 2.53 1.02 -1.26 -0.42 118.68 122.07 2jug s LEU 21 Ca -0.16 -0.17 -0.02 0.00 0.02 0.00 0.00 54.13 53.79 2jug s LEU 21 Cb -0.17 -0.58 -0.00 0.00 0.02 0.00 0.00 46.19 45.46 2jug s LEU 21 CO 0.07 -0.11 0.04 -1.66 0.02 0.00 0.00 176.35 174.71 2jug s TRP 22 N 1.44 0.02 -0.02 0.29 -2.14 -0.51 -3.89 118.94 114.13 2jug s TRP 22 Ca -0.02 -0.03 -0.29 0.00 2.66 0.00 0.00 56.10 58.42 2jug s TRP 22 Cb -0.13 -0.03 -0.03 0.00 -3.10 0.00 0.00 33.47 30.17 2jug s TRP 22 CO -0.03 -0.09 0.93 0.54 -2.66 0.00 0.00 176.95 175.63 2jug s VAL 23 N -0.43 4.90 -0.06 -0.66 0.11 -1.26 0.45 120.40 123.44 2jug s VAL 23 Ca -0.05 1.94 -0.01 0.00 -2.93 0.00 0.00 61.98 60.93 2jug s VAL 23 Cb -0.03 -4.27 0.03 0.00 -1.53 0.00 0.00 36.38 30.58 2jug s VAL 23 CO -0.00 0.17 0.02 -0.70 -3.33 0.00 0.00 175.10 171.26 2jug s GLU 24 N 1.01 0.39 5.01 1.54 2.56 0.66 -4.89 118.70 124.98 2jug s GLU 24 Ca 0.49 0.19 0.00 0.00 0.00 0.00 0.00 54.97 55.65 2jug s GLU 24 Cb -0.20 -0.82 0.00 0.00 2.00 0.00 0.00 34.13 35.10 2jug s GLU 24 CO 0.26 -0.31 0.00 0.41 -0.56 0.00 0.00 175.26 175.06 2jug n GLY 25 N 5.17 1.29 0.10 -1.50 0.00 -1.26 -1.86 105.19 107.14 2jug n GLY 25 Ca -0.06 0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.18 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 1.47 -4.22 1.61 -0.00 -1.26 -5.05 120.64 113.19 2jug n GLU 26 Ca 0.00 -0.50 -0.19 0.00 -0.00 0.00 0.00 57.16 56.47 2jug n GLU 26 Cb 0.00 -0.95 -0.12 0.00 -0.00 0.00 0.00 31.44 30.38 2jug n GLU 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2jug s ARG 27 N -0.62 0.96 -0.12 3.44 6.06 -0.78 -5.11 118.95 122.79 2jug s ARG 27 Ca 0.03 -1.12 -0.29 0.00 -2.50 0.00 0.00 55.73 51.85 2jug s ARG 27 Cb 0.03 -0.95 -0.02 0.00 0.06 0.00 0.00 34.95 34.07 2jug s ARG 27 CO 0.07 0.20 1.22 -1.17 -2.50 0.00 0.00 175.30 173.12 2jug s LEU 28 N -2.10 4.22 -0.18 -0.88 1.98 -1.26 -0.24 118.68 120.21 2jug s LEU 28 Ca 0.04 1.72 -0.11 0.00 -2.89 0.00 0.00 54.13 52.90 2jug s LEU 28 Cb -0.08 -3.55 -0.05 0.00 0.66 0.00 0.00 46.19 43.18 2jug s LEU 28 CO 0.03 -0.67 0.17 -0.13 -1.89 0.00 0.00 176.35 173.86 2jug s ARG 29 N 2.91 4.13 0.16 1.98 3.00 0.17 -4.92 118.95 126.38 2jug s ARG 29 Ca 0.54 -0.13 0.06 0.00 0.00 0.00 0.00 55.73 56.20 2jug s ARG 29 Cb -0.22 -3.40 -0.04 0.00 0.00 0.00 0.00 34.95 31.29 2jug s ARG 29 CO 0.17 0.34 0.06 0.12 0.00 0.00 0.00 175.30 175.99 2jug s PHE 30 N 0.24 3.00 -0.25 -0.53 2.19 -1.26 -1.43 117.98 119.94 2jug s PHE 30 Ca 0.11 -0.06 -0.03 0.00 0.33 0.00 0.00 56.93 57.28 2jug s PHE 30 Cb -0.12 -1.46 0.14 0.00 -1.31 0.00 0.00 43.02 40.28 2jug s PHE 30 CO 0.00 0.51 0.43 -1.14 1.83 0.00 0.00 175.22 176.85 2jug s GLN 31 N -2.92 0.40 -0.03 10.12 2.00 0.45 -4.98 119.66 124.69 2jug s GLN 31 Ca 0.29 0.66 0.02 0.00 -2.00 0.00 0.00 55.36 54.33 2jug s GLN 31 Cb -0.10 -0.22 0.00 0.00 0.80 0.00 0.00 33.01 33.50 2jug s GLN 31 CO 0.21 -0.62 -0.09 0.00 -0.50 0.00 0.00 175.29 174.28 2jug s ALA 32 N 2.62 0.92 0.79 1.58 0.00 -1.26 -0.54 121.76 125.87 2jug s ALA 32 Ca 0.14 -0.34 -0.13 0.00 0.00 0.00 0.00 51.96 51.63 2jug s ALA 32 Cb -0.15 -0.35 0.07 0.00 0.00 0.00 0.00 23.12 22.69 2jug s ALA 32 CO -0.17 0.14 1.19 -2.14 0.00 0.00 0.00 175.76 174.78 2jug s PRO 33 N 0.26 1.79 0.05 0.00 0.02 -1.26 -4.92 135.00 130.94 2jug s PRO 33 Ca -0.05 1.69 -0.30 0.00 0.02 0.00 0.00 61.00 62.36 2jug s PRO 33 Cb -0.10 -1.80 -0.08 0.00 0.02 0.00 0.00 34.50 32.54 2jug s PRO 33 CO 0.01 -2.08 1.73 -1.25 -0.33 0.00 0.00 177.00 175.07 2jug s PRO 34 N -4.17 4.18 0.00 5.54 0.04 -1.26 -3.17 135.00 136.16 2jug s PRO 34 Ca 0.72 2.39 0.00 0.00 0.04 0.00 0.00 61.00 64.15 2jug s PRO 34 Cb -0.27 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.50 2jug s PRO 34 CO 0.50 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 177.14 2jug n GLY 35 N 4.15 2.87 0.27 0.56 0.00 -1.26 -4.88 105.19 106.89 2jug n GLY 35 Ca 0.17 -0.75 0.17 0.00 0.00 0.00 0.00 46.02 45.61 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 0.04 -0.10 1.61 -1.51 -1.94 -3.14 116.25 111.22 2jug h VAL 36 Ca 0.00 -0.57 -0.03 0.00 -1.23 0.00 0.00 66.70 64.87 2jug h VAL 36 Cb 0.00 1.55 -0.02 0.00 -2.13 0.00 0.00 31.29 30.69 2jug h VAL 36 CO 0.00 0.02 0.04 0.80 -1.23 0.00 0.00 177.57 177.19 2jug n MET 37 N -3.12 1.37 -1.55 5.19 0.00 -1.26 -4.75 117.12 113.00 2jug n MET 37 Ca 0.01 -0.41 -0.43 0.00 0.00 0.00 0.00 57.70 56.87 2jug n MET 37 Cb 0.32 -1.42 0.00 0.00 0.00 0.00 0.00 33.22 32.13 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 0.17 2.13 -0.33 1.12 -2.24 -1.19 -4.40 114.28 109.54 2jug n THR 38 Ca 0.05 -0.50 0.21 0.00 -2.27 0.00 0.00 64.05 61.54 2jug n THR 38 Cb 0.49 -0.89 0.42 0.00 -2.10 0.00 0.00 70.33 68.25 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 1.43 0.35 -0.48 -0.78 0.11 -1.94 0.33 132.00 131.02 2jug h PRO 39 Ca -0.41 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 2jug h PRO 39 Cb 1.36 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 2jug h PRO 39 CO 0.56 0.23 0.25 1.05 -0.21 0.00 0.00 178.00 179.89 2jug h GLU 40 N 0.36 0.68 -0.27 1.05 4.11 -1.96 -0.29 114.58 118.25 2jug h GLU 40 Ca 0.68 -0.09 -0.06 0.00 0.07 0.00 0.00 59.36 59.96 2jug h GLU 40 Cb 1.48 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 2jug h GLU 40 CO -0.58 0.55 -0.08 1.25 0.07 0.00 0.00 179.01 180.21 2jug h LEU 41 N 0.63 0.54 -0.87 3.06 6.46 -0.76 -1.10 115.31 123.27 2jug h LEU 41 Ca 0.17 -0.38 0.08 0.00 -0.12 0.00 0.00 57.88 57.63 2jug h LEU 41 Cb 0.08 -0.15 -0.07 0.00 -0.73 0.00 0.00 40.66 39.79 2jug h LEU 41 CO -0.02 0.80 0.53 -0.61 -0.62 0.00 0.00 178.44 178.51 2jug h GLN 42 N 0.28 0.89 0.00 1.25 5.75 -0.75 0.31 115.11 122.84 2jug h GLN 42 Ca 0.07 -0.05 -0.12 0.00 -0.15 0.00 0.00 58.65 58.39 2jug h GLN 42 Cb 0.57 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 2jug h GLN 42 CO 0.03 0.59 -0.59 1.03 -2.65 0.00 0.00 178.83 177.24 2jug h SER 43 N 0.92 0.00 0.94 -0.69 0.87 -0.85 -3.09 113.55 111.65 2jug h SER 43 Ca 0.40 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.82 2jug h SER 43 Cb 0.27 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 2jug h SER 43 CO -0.21 0.59 -0.64 0.03 -0.53 0.00 0.00 176.83 176.07 2jug h ARG 44 N 0.00 0.00 -0.56 2.24 3.08 0.24 -2.83 114.38 116.54 2jug h ARG 44 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2jug h ARG 44 Cb 1.10 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.12 2jug h ARG 44 CO 0.08 0.64 0.30 -0.07 -1.07 0.00 0.00 179.97 179.85 2jug h LEU 45 N 0.00 0.71 0.00 3.04 3.38 -0.94 -3.46 115.31 118.03 2jug h LEU 45 Ca -0.01 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2jug h LEU 45 Cb 1.28 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2jug h LEU 45 CO 0.08 0.60 0.00 0.61 0.09 0.00 0.00 178.44 179.82 2jug n GLY 46 N -1.02 2.89 2.43 0.83 0.00 -1.07 -3.98 105.19 105.27 2jug n GLY 46 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.28 1.17 3.78 -0.02 0.00 -1.26 -4.97 105.19 102.61 2jug n GLY 47 Ca 0.00 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.28 2.93 -0.01 4.61 0.00 -1.26 -4.91 121.76 120.85 2jug s ALA 48 Ca 0.00 0.76 -0.25 0.00 0.00 0.00 0.00 51.96 52.47 2jug s ALA 48 Cb 0.00 -3.31 -0.19 0.00 0.00 0.00 0.00 23.12 19.62 2jug s ALA 48 CO 0.00 -0.45 1.31 0.07 0.00 0.00 0.00 175.76 176.68 2jug h ARG 49 N 1.92 -0.05 -0.60 0.00 0.11 -1.97 0.07 114.38 113.86 2jug h ARG 49 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2jug h ARG 49 Cb 1.23 0.01 -0.03 0.00 1.11 0.00 0.00 29.97 32.29 2jug h ARG 49 CO 0.60 0.35 0.39 1.12 0.10 0.00 0.00 179.97 182.53 2jug h HIS 50 N -0.47 0.77 -0.24 4.08 2.07 -2.00 0.41 115.15 119.77 2jug h HIS 50 Ca -0.01 0.01 -0.13 0.00 -2.85 0.00 0.00 60.37 57.40 2jug h HIS 50 Cb 0.43 -0.26 -0.00 0.00 2.57 0.00 0.00 27.41 30.15 2jug h HIS 50 CO 0.07 0.49 -0.35 1.49 -3.07 0.00 0.00 177.93 176.56 2jug h GLU 51 N 0.82 0.66 0.00 5.12 4.57 -1.91 -2.84 114.58 121.01 2jug h GLU 51 Ca 0.22 -0.39 -0.06 0.00 -1.18 0.00 0.00 59.36 57.95 2jug h GLU 51 Cb -0.07 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 2jug h GLU 51 CO -0.05 1.00 -0.28 -0.07 -1.18 0.00 0.00 179.01 178.44 2jug h LEU 52 N 0.38 0.00 0.00 1.64 3.38 -0.29 -0.22 115.31 120.21 2jug h LEU 52 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jug h LEU 52 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2jug h LEU 52 CO 0.08 0.28 -0.00 0.40 0.09 0.00 0.00 178.44 179.29 2jug h ILE 53 N 0.00 1.02 -0.06 1.22 2.04 -0.71 0.31 117.51 121.32 2jug h ILE 53 Ca -0.00 -0.06 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 2jug h ILE 53 Cb 0.74 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2jug h ILE 53 CO 0.04 0.02 -0.37 0.00 0.00 0.00 0.00 178.15 177.83 2jug h ALA 54 N 0.97 1.28 -0.29 1.87 0.00 -1.27 -0.94 119.26 120.88 2jug h ALA 54 Ca -0.00 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 2jug h ALA 54 Cb 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2jug h ALA 54 CO 0.00 0.51 -0.50 1.25 0.00 0.00 0.00 179.25 180.52 2jug h LEU 55 N 0.10 0.93 -0.23 0.00 7.12 -0.60 -2.40 115.31 120.24 2jug h LEU 55 Ca 0.01 -0.53 -0.20 0.00 0.13 0.00 0.00 57.88 57.30 2jug h LEU 55 Cb 0.70 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 40.55 2jug h LEU 55 CO 0.05 1.28 -0.90 0.25 -0.13 0.00 0.00 178.44 178.99 2jug h LEU 56 N 0.62 0.12 -1.71 2.25 5.85 -0.32 -3.04 115.31 119.08 2jug h LEU 56 Ca 0.02 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 2jug h LEU 56 Cb 1.10 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2jug h LEU 56 CO 0.11 0.96 -0.02 -0.09 -0.34 0.00 0.00 178.44 179.06 2jug h ARG 57 N 0.04 0.15 0.00 1.25 2.43 -1.00 0.04 114.38 117.30 2jug h ARG 57 Ca -0.03 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2jug h ARG 57 Cb 1.57 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 31.09 2jug h ARG 57 CO 0.13 0.19 -0.08 -0.56 -1.51 0.00 0.00 179.97 178.14 2jug h GLN 58 N 0.15 0.00 -0.01 0.20 3.07 -1.31 -1.56 115.11 115.65 2jug h GLN 58 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.78 2jug h GLN 58 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.71 2jug h GLN 58 CO 0.00 0.08 -0.14 -0.11 0.09 0.00 0.00 178.83 178.75 2jug n LEU 59 N -4.39 1.21 -4.38 0.06 7.94 -0.02 -4.81 117.00 112.61 2jug n LEU 59 Ca -0.03 -0.36 -0.33 0.00 -1.11 0.00 0.00 56.01 54.19 2jug n LEU 59 Cb 0.16 -0.07 -0.14 0.00 0.53 0.00 0.00 43.42 43.89 2jug n LEU 59 CO 0.35 0.21 -0.45 -1.10 -1.11 0.00 0.00 177.39 175.29 2jug s GLN 60 N -2.29 3.34 0.00 1.96 -0.21 -0.59 -4.99 119.66 116.89 2jug s GLN 60 Ca 0.30 -0.68 0.21 0.00 0.02 0.00 0.00 55.36 55.20 2jug s GLN 60 Cb 0.20 -2.62 0.88 0.00 1.00 0.00 0.00 33.01 32.48 2jug s GLN 60 CO 0.44 0.24 1.66 -2.30 -2.12 0.00 0.00 175.29 173.21 2jug n PRO 61 N 3.45 0.01 -3.67 2.91 -0.02 -1.26 -4.80 135.00 131.62 2jug n PRO 61 Ca -0.18 0.14 -0.30 0.00 -2.02 0.00 0.00 63.50 61.14 2jug n PRO 61 Cb 0.53 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.47 2jug n PRO 61 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2jug s SER 62 N -2.99 6.45 -0.27 2.55 0.15 -1.26 -4.75 113.70 113.58 2jug s SER 62 Ca 0.10 0.52 -0.08 0.00 0.70 0.00 0.00 55.95 57.19 2jug s SER 62 Cb 0.13 -2.06 0.01 0.00 -1.71 0.00 0.00 66.02 62.39 2jug s SER 62 CO 0.37 0.01 0.29 -1.20 1.20 0.00 0.00 173.24 173.92 2jug n SER 63 N -0.22 -6.10 -0.01 5.45 7.64 -1.26 -4.99 113.62 114.13 2jug n SER 63 Ca -0.03 0.55 0.06 0.00 1.01 0.00 0.00 58.87 60.45 2jug n SER 63 Cb 0.52 -4.00 -0.14 0.00 -1.01 0.00 0.00 64.21 59.58 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 -0.12 0.66 0.00 1.43 3.00 -1.26 -5.01 117.38 116.07 2jug n GLN 64 Ca 0.06 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2jug n GLN 64 Cb 0.22 -1.59 0.00 0.00 0.00 0.00 0.00 30.24 28.88 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 1.37 1.54 0.27 1.08 0.00 -1.26 -5.07 105.19 103.12 2jug n GLY 65 Ca -0.10 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2jug n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jug n GLY 66 N 0.00 -1.24 3.16 -0.02 0.00 -1.26 -5.03 105.19 100.80 2jug n GLY 66 Ca 0.00 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 2jug n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jug s SER 67 N 0.00 4.96 -0.53 1.61 1.04 -1.26 -5.04 113.70 114.48 2jug s SER 67 Ca 0.00 -1.46 0.02 0.00 0.48 0.00 0.00 55.95 54.99 2jug s SER 67 Cb 0.00 -1.73 0.14 0.00 0.10 0.00 0.00 66.02 64.52 2jug s SER 67 CO 0.00 -0.32 0.29 -0.22 0.98 0.00 0.00 173.24 173.97 2jug s LEU 68 N 1.22 4.64 0.00 2.42 2.96 -1.26 -4.77 118.68 123.89 2jug s LEU 68 Ca -0.02 -2.86 0.00 0.00 -0.22 0.00 0.00 54.13 51.03 2jug s LEU 68 Cb -0.20 -1.71 0.00 0.00 0.50 0.00 0.00 46.19 44.78 2jug s LEU 68 CO -0.02 -0.29 0.20 0.00 -1.32 0.00 0.00 176.35 174.92 2jug n LEU 69 N 3.36 0.00 -4.73 -0.68 -0.00 -1.26 -5.10 117.00 108.60 2jug n LEU 69 Ca 0.05 -0.05 -0.41 0.00 -0.00 0.00 0.00 56.01 55.60 2jug n LEU 69 Cb 0.35 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.73 2jug n LEU 69 CO 0.33 0.07 0.81 0.00 -0.00 0.00 0.00 177.39 178.60 2jug s ALA 70 N 0.00 3.35 -0.47 1.47 0.00 -1.26 -4.96 121.76 119.89 2jug s ALA 70 Ca 0.00 0.79 -0.28 0.00 0.00 0.00 0.00 51.96 52.47 2jug s ALA 70 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2jug s ALA 70 CO 0.00 -0.28 1.54 -2.14 0.00 0.00 0.00 175.76 174.88 2jug s PRO 71 N 0.25 3.32 -0.26 0.00 0.02 -1.26 -4.95 135.00 132.11 2jug s PRO 71 Ca 0.53 0.82 -0.02 0.00 0.02 0.00 0.00 61.00 62.35 2jug s PRO 71 Cb -0.28 -4.14 0.08 0.00 0.02 0.00 0.00 34.50 30.18 2jug s PRO 71 CO 0.32 -1.90 0.07 0.54 -0.33 0.00 0.00 177.00 175.71 2jug s VAL 72 N 6.38 0.69 -0.04 3.83 0.11 -1.26 -5.01 120.40 125.10 2jug s VAL 72 Ca 0.62 -1.01 -0.23 0.00 -2.93 0.00 0.00 61.98 58.43 2jug s VAL 72 Cb -0.14 -1.37 -0.18 0.00 -1.53 0.00 0.00 36.38 33.16 2jug s VAL 72 CO 0.29 -0.47 1.02 0.00 -3.33 0.00 0.00 175.10 172.60 2jug h ALA 73 N 8.17 -0.15 0.00 1.54 0.00 -2.06 -3.47 119.26 123.29 2jug h ALA 73 Ca -0.15 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2jug h ALA 73 Cb 1.06 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2jug h ALA 73 CO 0.41 -0.29 0.00 2.89 0.00 0.00 0.00 179.25 182.26 2jug n ARG 74 N -4.90 0.00 -0.55 0.00 1.85 -1.26 -5.17 116.66 106.64 2jug n ARG 74 Ca -0.08 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 56.84 2jug n ARG 74 Cb 0.28 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.67 2jug n ARG 74 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2jug n ASN 75 N -0.26 -4.92 0.00 2.89 4.13 -1.26 -5.04 115.26 110.80 2jug n ASN 75 Ca 0.00 0.59 0.00 0.00 1.68 0.00 0.00 54.58 56.85 2jug n ASN 75 Cb 0.00 -1.65 0.00 0.00 -1.54 0.00 0.00 39.78 36.59 2jug n ASN 75 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jug n GLY 76 N -1.79 0.47 1.31 7.41 0.00 -1.26 -4.81 105.19 106.52 2jug n GLY 76 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 2jug n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jug n ARG 77 N 0.00 0.00 0.00 1.61 0.63 -1.26 -5.30 116.66 112.34 2jug n ARG 77 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2jug n ARG 77 Cb 0.00 -0.02 0.00 0.00 0.45 0.00 0.00 32.46 32.89 2jug n ARG 77 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01