#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 4.46 -0.23 1.61 0.04 -1.26 -4.98 135.00 134.63 2jug s PRO 2 Ca 0.00 1.00 -0.06 0.00 0.04 0.00 0.00 61.00 61.98 2jug s PRO 2 Cb 0.00 -3.32 -0.18 0.00 0.04 0.00 0.00 34.50 31.04 2jug s PRO 2 CO 0.00 0.40 -0.11 -0.11 0.04 0.00 0.00 177.00 177.23 2jug n LEU 3 N 2.38 2.55 0.00 -3.56 7.94 -1.26 -5.09 117.00 119.96 2jug n LEU 3 Ca -0.05 0.10 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 2jug n LEU 3 Cb 0.50 -0.93 0.00 0.00 0.53 0.00 0.00 43.42 43.52 2jug n LEU 3 CO 0.46 0.77 0.00 0.61 -1.11 0.00 0.00 177.39 178.11 2jug n GLY 4 N 1.87 -0.12 0.02 -3.96 0.00 -1.26 -4.52 105.19 97.22 2jug n GLY 4 Ca -0.44 -1.02 -0.01 0.00 0.00 0.00 0.00 46.02 44.55 2jug n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jug h SER 5 N 1.97 0.00 0.00 1.61 0.02 -1.98 -3.50 113.55 111.67 2jug h SER 5 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jug h SER 5 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2jug h SER 5 CO 0.00 0.25 0.00 -1.54 -1.14 0.00 0.00 176.83 174.40 2jug n SER 6 N -3.14 0.00 0.10 3.07 3.41 -1.26 -5.01 113.62 110.79 2jug n SER 6 Ca -0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.47 2jug n SER 6 Cb 0.06 0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 63.96 2jug n SER 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jug h ALA 7 N 1.08 -0.28 -0.81 7.33 0.00 -1.98 -1.01 119.26 123.60 2jug h ALA 7 Ca 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2jug h ALA 7 Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2jug h ALA 7 CO 0.00 -0.47 0.53 0.78 0.00 0.00 0.00 179.25 180.09 2jug h GLY 8 N -0.66 1.16 0.95 0.00 0.00 -1.98 0.22 103.07 102.76 2jug h GLY 8 Ca -0.03 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 2jug h GLY 8 CO 0.05 0.38 0.19 0.00 0.00 0.00 0.00 176.54 177.15 2jug h ALA 9 N 1.32 0.56 -0.20 3.60 0.00 -1.87 0.18 119.26 122.85 2jug h ALA 9 Ca 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2jug h ALA 9 Cb -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2jug h ALA 9 CO -0.09 0.15 0.08 1.25 0.00 0.00 0.00 179.25 180.64 2jug h LEU 10 N 0.55 0.28 -0.22 0.00 5.85 -0.64 -1.08 115.31 120.05 2jug h LEU 10 Ca 0.15 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2jug h LEU 10 Cb 0.16 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2jug h LEU 10 CO -0.01 0.36 0.15 0.25 -0.34 0.00 0.00 178.44 178.84 2jug h LEU 11 N 0.18 0.26 0.06 2.25 7.12 -0.42 -1.02 115.31 123.73 2jug h LEU 11 Ca 0.07 -0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.06 2jug h LEU 11 Cb 0.16 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.23 2jug h LEU 11 CO -0.01 0.19 -0.03 0.00 -0.13 0.00 0.00 178.44 178.47 2jug h ALA 12 N 1.08 -0.08 0.00 1.25 0.00 -0.52 -1.05 119.26 119.95 2jug h ALA 12 Ca 0.08 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2jug h ALA 12 Cb -0.03 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2jug h ALA 12 CO -0.02 -0.53 -0.58 1.12 0.00 0.00 0.00 179.25 179.24 2jug h HIS 13 N -0.10 0.00 -0.18 0.00 2.07 -1.12 0.91 115.15 116.73 2jug h HIS 13 Ca -0.01 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.30 2jug h HIS 13 Cb 0.08 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.07 2jug h HIS 13 CO -0.07 0.58 -0.72 0.00 -3.07 0.00 0.00 177.93 174.66 2jug h ALA 14 N 1.42 0.34 -0.25 6.11 0.00 -1.04 -1.34 119.26 124.49 2jug h ALA 14 Ca -0.01 -0.58 -0.18 0.00 0.00 0.00 0.00 54.91 54.15 2jug h ALA 14 Cb 1.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2jug h ALA 14 CO 0.08 0.67 -0.55 0.00 0.00 0.00 0.00 179.25 179.45 2jug h ALA 15 N 0.58 0.41 -0.50 0.00 0.00 -1.02 0.10 119.26 118.82 2jug h ALA 15 Ca -0.04 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 2jug h ALA 15 Cb 1.34 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2jug h ALA 15 CO 0.15 0.62 0.08 1.03 0.00 0.00 0.00 179.25 181.13 2jug h SER 16 N 0.57 0.80 1.03 0.00 0.87 -0.82 -2.30 113.55 113.71 2jug h SER 16 Ca 0.00 -0.26 -0.07 0.00 -1.23 0.00 0.00 61.79 60.23 2jug h SER 16 Cb 1.16 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.90 2jug h SER 16 CO 0.12 0.86 -0.35 -0.07 -0.53 0.00 0.00 176.83 176.86 2jug h LEU 17 N 0.71 0.00 -1.18 2.23 3.38 -1.29 -3.48 115.31 115.69 2jug h LEU 17 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2jug h LEU 17 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2jug h LEU 17 CO 0.01 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.50 2jug n GLY 18 N 0.44 0.73 3.45 0.83 0.00 -0.55 -4.70 105.19 105.39 2jug n GLY 18 Ca 0.00 -0.47 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.71 4.57 -0.13 1.61 1.01 0.24 -4.46 120.40 120.52 2jug s VAL 19 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2jug s VAL 19 Cb 0.00 -4.53 -0.01 0.00 0.00 0.00 0.00 36.38 31.84 2jug s VAL 19 CO 0.00 -1.17 -0.14 -0.13 0.00 0.00 0.00 175.10 173.66 2jug s ARG 20 N 3.41 3.32 -0.13 2.72 3.00 -0.83 -4.78 118.95 125.66 2jug s ARG 20 Ca 0.20 -0.71 0.00 0.00 0.00 0.00 0.00 55.73 55.22 2jug s ARG 20 Cb -0.18 -2.61 0.02 0.00 0.00 0.00 0.00 34.95 32.18 2jug s ARG 20 CO 0.11 0.16 -0.12 -0.51 0.00 0.00 0.00 175.30 174.94 2jug s LEU 21 N 0.48 1.54 0.02 2.53 1.02 -1.26 -0.03 118.68 122.98 2jug s LEU 21 Ca -0.10 -0.42 0.02 0.00 0.02 0.00 0.00 54.13 53.64 2jug s LEU 21 Cb -0.16 -1.07 -0.02 0.00 0.02 0.00 0.00 46.19 44.97 2jug s LEU 21 CO 0.05 -0.07 -0.06 -1.66 0.02 0.00 0.00 176.35 174.63 2jug s TRP 22 N 1.49 0.56 -0.20 0.29 -2.14 -0.61 -4.69 118.94 113.64 2jug s TRP 22 Ca 0.04 -0.32 -0.19 0.00 2.66 0.00 0.00 56.10 58.28 2jug s TRP 22 Cb -0.13 -0.35 -0.03 0.00 -3.10 0.00 0.00 33.47 29.86 2jug s TRP 22 CO -0.09 -0.06 0.54 0.54 -2.66 0.00 0.00 176.95 175.22 2jug s VAL 23 N -0.85 5.09 -0.33 -0.66 0.11 -1.26 0.45 120.40 122.95 2jug s VAL 23 Ca -0.05 1.00 0.03 0.00 -2.93 0.00 0.00 61.98 60.03 2jug s VAL 23 Cb -0.07 -3.86 0.10 0.00 -1.53 0.00 0.00 36.38 31.02 2jug s VAL 23 CO 0.00 0.17 0.04 -0.70 -3.33 0.00 0.00 175.10 171.27 2jug s GLU 24 N 1.67 1.49 4.52 1.54 2.56 0.37 -4.94 118.70 125.90 2jug s GLU 24 Ca 0.25 -1.75 0.00 0.00 0.00 0.00 0.00 54.97 53.47 2jug s GLU 24 Cb -0.15 -3.07 0.00 0.00 2.00 0.00 0.00 34.13 32.91 2jug s GLU 24 CO 0.10 -0.90 0.00 0.41 -0.56 0.00 0.00 175.26 174.31 2jug n GLY 25 N 4.32 1.22 0.03 -1.50 0.00 -1.26 -1.89 105.19 106.11 2jug n GLY 25 Ca 0.01 0.25 0.06 0.00 0.00 0.00 0.00 46.02 46.35 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 0.67 -5.18 1.61 0.28 -1.26 -4.98 120.64 111.78 2jug n GLU 26 Ca 0.00 -0.15 -0.30 0.00 -0.16 0.00 0.00 57.16 56.55 2jug n GLU 26 Cb 0.00 -1.49 -0.16 0.00 1.43 0.00 0.00 31.44 31.22 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 -3.23 2.27 -0.02 3.44 6.06 -0.79 -5.10 118.95 121.58 2jug s ARG 27 Ca -0.08 -0.85 -0.30 0.00 -2.50 0.00 0.00 55.73 52.00 2jug s ARG 27 Cb 0.12 -1.99 -0.03 0.00 0.06 0.00 0.00 34.95 33.10 2jug s ARG 27 CO 0.84 0.40 0.98 -1.17 -2.50 0.00 0.00 175.30 173.85 2jug s LEU 28 N -0.24 4.35 -0.14 -0.88 0.20 -1.26 -0.48 118.68 120.23 2jug s LEU 28 Ca -0.00 1.64 -0.08 0.00 0.69 0.00 0.00 54.13 56.37 2jug s LEU 28 Cb -0.12 -3.57 -0.04 0.00 -0.43 0.00 0.00 46.19 42.03 2jug s LEU 28 CO 0.02 -0.29 0.15 -0.13 -0.29 0.00 0.00 176.35 175.81 2jug s ARG 29 N 1.20 3.69 -0.10 1.98 3.00 0.17 -4.92 118.95 123.96 2jug s ARG 29 Ca 0.51 -0.13 0.03 0.00 0.00 0.00 0.00 55.73 56.14 2jug s ARG 29 Cb -0.20 -3.26 -0.01 0.00 0.00 0.00 0.00 34.95 31.48 2jug s ARG 29 CO 0.26 0.63 -0.20 0.12 0.00 0.00 0.00 175.30 176.11 2jug s PHE 30 N -0.60 2.63 -0.33 -0.53 2.19 -1.26 -1.58 117.98 118.51 2jug s PHE 30 Ca 0.13 -0.87 -0.04 0.00 0.33 0.00 0.00 56.93 56.48 2jug s PHE 30 Cb -0.12 -1.74 0.05 0.00 -1.31 0.00 0.00 43.02 39.90 2jug s PHE 30 CO 0.03 -0.32 0.07 -1.14 1.83 0.00 0.00 175.22 175.68 2jug s GLN 31 N 0.27 2.52 -0.17 10.12 2.00 0.95 -4.99 119.66 130.37 2jug s GLN 31 Ca -0.14 -1.24 -0.04 0.00 -2.00 0.00 0.00 55.36 51.94 2jug s GLN 31 Cb -0.17 -3.35 0.08 0.00 0.80 0.00 0.00 33.01 30.37 2jug s GLN 31 CO 0.07 -0.66 0.21 0.00 -0.50 0.00 0.00 175.29 174.41 2jug s ALA 32 N 1.33 -0.28 0.62 1.58 0.00 -1.26 -1.96 121.76 121.80 2jug s ALA 32 Ca -0.03 0.41 -0.18 0.00 0.00 0.00 0.00 51.96 52.16 2jug s ALA 32 Cb -0.20 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 2jug s ALA 32 CO 0.01 -0.99 1.18 -2.30 0.00 0.00 0.00 175.76 173.66 2jug n PRO 33 N 5.32 1.08 -1.90 0.00 -0.02 -1.26 -4.92 135.00 133.31 2jug n PRO 33 Ca -0.05 0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 2jug n PRO 33 Cb 0.50 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 2jug n PRO 33 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jug s PRO 34 N -3.12 4.19 0.00 0.52 0.04 -1.26 -2.86 135.00 132.51 2jug s PRO 34 Ca 0.80 2.35 0.00 0.00 0.04 0.00 0.00 61.00 64.18 2jug s PRO 34 Cb -0.40 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.42 2jug s PRO 34 CO 0.43 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 177.10 2jug n GLY 35 N 4.09 2.45 0.18 0.56 0.00 -1.26 -4.86 105.19 106.34 2jug n GLY 35 Ca 0.17 -0.43 0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 0.22 -0.10 1.61 -1.51 -1.91 -3.30 116.25 111.27 2jug h VAL 36 Ca 0.00 -1.33 -0.02 0.00 -1.23 0.00 0.00 66.70 64.13 2jug h VAL 36 Cb 0.00 2.04 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 2jug h VAL 36 CO 0.00 0.13 0.02 0.80 -1.23 0.00 0.00 177.57 177.29 2jug n MET 37 N -3.07 1.46 -1.63 5.19 0.00 -1.25 -4.70 117.12 113.12 2jug n MET 37 Ca 0.02 -0.44 -0.43 0.00 0.00 0.00 0.00 57.70 56.86 2jug n MET 37 Cb 0.59 -1.49 -0.00 0.00 0.00 0.00 0.00 33.22 32.32 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 0.13 2.17 -0.28 1.12 -2.24 -1.24 -4.72 114.28 109.21 2jug n THR 38 Ca 0.05 -0.50 0.27 0.00 -2.27 0.00 0.00 64.05 61.60 2jug n THR 38 Cb 0.46 -1.21 0.62 0.00 -2.10 0.00 0.00 70.33 68.10 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 1.95 0.20 -0.08 -0.78 0.11 -1.96 0.26 132.00 131.70 2jug h PRO 39 Ca -0.43 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.51 2jug h PRO 39 Cb 1.32 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2jug h PRO 39 CO 0.60 0.13 -0.62 1.49 -0.21 0.00 0.00 178.00 179.38 2jug h GLU 40 N 0.21 0.31 -0.58 1.05 4.81 -1.95 -2.39 114.58 116.03 2jug h GLU 40 Ca 0.54 -0.22 -0.09 0.00 -0.13 0.00 0.00 59.36 59.46 2jug h GLU 40 Cb 1.72 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 31.11 2jug h GLU 40 CO -0.14 0.83 0.02 1.25 -0.73 0.00 0.00 179.01 180.24 2jug h LEU 41 N 0.23 0.99 -1.45 1.64 6.46 -0.78 -0.92 115.31 121.47 2jug h LEU 41 Ca -0.01 -0.30 0.01 0.00 -0.12 0.00 0.00 57.88 57.47 2jug h LEU 41 Cb 1.15 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.78 2jug h LEU 41 CO 0.10 1.04 0.38 -0.61 -0.62 0.00 0.00 178.44 178.73 2jug h GLN 42 N 0.90 0.72 0.00 1.25 5.75 -1.31 0.19 115.11 122.62 2jug h GLN 42 Ca 0.17 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.53 2jug h GLN 42 Cb 0.52 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 2jug h GLN 42 CO 0.03 0.48 -0.44 1.03 -2.65 0.00 0.00 178.83 177.27 2jug h SER 43 N 0.74 0.00 -0.30 -0.69 0.87 -0.86 -1.50 113.55 111.81 2jug h SER 43 Ca 0.22 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.60 2jug h SER 43 Cb -0.04 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2jug h SER 43 CO -0.05 0.44 -0.51 0.03 -0.53 0.00 0.00 176.83 176.22 2jug h ARG 44 N 0.00 0.89 -0.96 2.24 2.47 0.57 -2.87 114.38 116.73 2jug h ARG 44 Ca -0.00 -0.54 0.04 0.00 -1.26 0.00 0.00 59.98 58.21 2jug h ARG 44 Cb 0.80 0.05 -0.06 0.00 -1.65 0.00 0.00 29.97 29.12 2jug h ARG 44 CO 0.06 1.18 0.63 -0.07 0.56 0.00 0.00 179.97 182.33 2jug h LEU 45 N 0.69 1.05 0.00 3.04 3.38 -0.45 -3.46 115.31 119.56 2jug h LEU 45 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2jug h LEU 45 Cb 1.11 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2jug h LEU 45 CO 0.12 0.72 0.00 0.61 0.09 0.00 0.00 178.44 179.97 2jug n GLY 46 N -1.38 3.01 2.45 0.83 0.00 -0.59 -4.03 105.19 105.47 2jug n GLY 46 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.52 -0.10 3.92 -0.02 0.00 -1.26 -5.01 105.19 101.19 2jug n GLY 47 Ca 0.00 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.85 3.92 -0.01 4.61 0.00 -1.26 -5.05 121.76 121.13 2jug s ALA 48 Ca 0.13 -1.00 -0.26 0.00 0.00 0.00 0.00 51.96 50.84 2jug s ALA 48 Cb -0.06 -1.74 -0.20 0.00 0.00 0.00 0.00 23.12 21.13 2jug s ALA 48 CO 0.16 0.62 1.31 0.07 0.00 0.00 0.00 175.76 177.93 2jug h ARG 49 N 2.46 -0.00 -0.32 0.00 0.11 -1.96 -3.13 114.38 111.54 2jug h ARG 49 Ca -0.47 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.64 2jug h ARG 49 Cb 1.18 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.23 2jug h ARG 49 CO 0.70 0.44 0.12 1.12 0.10 0.00 0.00 179.97 182.44 2jug h HIS 50 N -0.44 0.21 -0.15 4.08 2.07 -1.99 0.22 115.15 119.15 2jug h HIS 50 Ca -0.00 0.02 -0.19 0.00 -2.85 0.00 0.00 60.37 57.35 2jug h HIS 50 Cb 0.44 -0.05 -0.00 0.00 2.57 0.00 0.00 27.41 30.37 2jug h HIS 50 CO 0.08 0.10 -0.67 1.05 -3.07 0.00 0.00 177.93 175.41 2jug h GLU 51 N 0.26 0.59 -0.61 5.12 9.09 -1.97 -2.78 114.58 124.28 2jug h GLU 51 Ca 0.14 -0.43 -0.07 0.00 0.05 0.00 0.00 59.36 59.05 2jug h GLU 51 Cb 0.11 0.08 -0.03 0.00 -1.65 0.00 0.00 28.75 27.26 2jug h GLU 51 CO -0.14 1.06 0.10 -0.07 0.05 0.00 0.00 179.01 180.00 2jug h LEU 52 N 0.42 0.95 -0.88 3.06 3.38 -1.31 0.72 115.31 121.66 2jug h LEU 52 Ca -0.02 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 57.82 2jug h LEU 52 Cb 1.25 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 2jug h LEU 52 CO 0.13 0.95 0.53 0.40 0.09 0.00 0.00 178.44 180.54 2jug h ILE 53 N 0.94 0.95 0.00 1.22 2.04 -0.49 0.18 117.51 122.35 2jug h ILE 53 Ca 0.19 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 2jug h ILE 53 Cb 0.41 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2jug h ILE 53 CO 0.01 0.16 -0.24 0.00 0.00 0.00 0.00 178.15 178.08 2jug h ALA 54 N 1.46 1.22 -0.06 1.87 0.00 -0.89 -1.39 119.26 121.47 2jug h ALA 54 Ca 0.42 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 2jug h ALA 54 Cb 0.34 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2jug h ALA 54 CO -0.23 0.30 -0.53 -0.07 0.00 0.00 0.00 179.25 178.72 2jug h LEU 55 N 0.00 0.19 -0.08 0.00 -0.00 0.16 -2.03 115.31 113.54 2jug h LEU 55 Ca -0.00 -0.10 -0.25 0.00 -0.00 0.00 0.00 57.88 57.53 2jug h LEU 55 Cb 0.58 -0.05 0.01 0.00 -0.00 0.00 0.00 40.66 41.20 2jug h LEU 55 CO 0.03 0.69 -0.98 -0.07 -0.00 0.00 0.00 178.44 178.11 2jug h LEU 56 N 0.13 0.76 -1.97 1.67 -0.00 -1.13 -3.22 115.31 111.56 2jug h LEU 56 Ca 0.00 -0.60 0.20 0.00 -0.00 0.00 0.00 57.88 57.48 2jug h LEU 56 Cb 0.99 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 41.39 2jug h LEU 56 CO 0.08 1.40 0.56 -0.09 -0.00 0.00 0.00 178.44 180.39 2jug h ARG 57 N 0.34 0.00 -0.60 1.13 9.65 -0.75 0.36 114.38 124.52 2jug h ARG 57 Ca -0.10 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.69 2jug h ARG 57 Cb 1.63 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.19 2jug h ARG 57 CO 0.19 0.00 0.03 -0.56 2.80 0.00 0.00 179.97 182.42 2jug h GLN 58 N 0.00 1.04 0.00 0.20 3.07 -1.39 -3.21 115.11 114.82 2jug h GLN 58 Ca 0.33 -0.32 0.00 0.00 0.09 0.00 0.00 58.65 58.75 2jug h GLN 58 Cb 1.45 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 28.91 2jug h GLN 58 CO -0.00 1.01 -0.46 1.28 0.09 0.00 0.00 178.83 180.75 2jug n LEU 59 N -4.22 0.62 -4.48 0.06 4.77 0.12 -4.94 117.00 108.93 2jug n LEU 59 Ca 0.03 0.26 -0.45 0.00 -0.03 0.00 0.00 56.01 55.81 2jug n LEU 59 Cb 0.33 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 41.10 2jug n LEU 59 CO 0.44 -0.03 1.93 0.00 -1.33 0.00 0.00 177.39 178.40 2jug n GLN 60 N -1.97 0.89 -0.12 3.23 1.13 -0.60 -4.80 117.38 115.15 2jug n GLN 60 Ca 0.04 0.17 0.12 0.00 -1.94 0.00 0.00 57.00 55.39 2jug n GLN 60 Cb 0.41 -2.54 0.17 0.00 0.11 0.00 0.00 30.24 28.39 2jug n GLN 60 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2jug n PRO 61 N 8.46 2.40 0.15 -1.09 -0.04 -1.26 -4.56 135.00 139.06 2jug n PRO 61 Ca 0.44 -2.14 0.05 0.00 -0.04 0.00 0.00 63.50 61.82 2jug n PRO 61 Cb 0.27 -1.49 0.52 0.00 -0.04 0.00 0.00 33.50 32.76 2jug n PRO 61 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jug h SER 62 N 4.48 0.19 -5.94 3.54 4.64 -2.02 -3.46 113.55 114.98 2jug h SER 62 Ca 0.00 -0.01 -0.40 0.00 -0.47 0.00 0.00 61.79 60.91 2jug h SER 62 Cb 0.98 -0.05 0.09 0.00 -0.31 0.00 0.00 62.40 63.11 2jug h SER 62 CO 0.00 0.19 -0.76 -1.20 -0.87 0.00 0.00 176.83 174.19 2jug n SER 63 N -4.45 -3.42 -1.63 4.97 7.64 -1.26 -4.84 113.62 110.62 2jug n SER 63 Ca -0.01 -0.69 -0.04 0.00 1.01 0.00 0.00 58.87 59.15 2jug n SER 63 Cb 0.13 -4.58 -0.02 0.00 -1.01 0.00 0.00 64.21 58.73 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 -4.50 1.25 0.00 1.43 1.13 -1.26 -4.82 117.38 110.61 2jug n GLN 64 Ca -0.15 -0.35 0.00 0.00 -1.94 0.00 0.00 57.00 54.55 2jug n GLN 64 Cb 0.62 -1.23 0.00 0.00 0.11 0.00 0.00 30.24 29.74 2jug n GLN 64 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jug n GLY 65 N 1.51 2.05 2.09 1.08 0.00 -1.26 -4.64 105.19 106.02 2jug n GLY 65 Ca 0.10 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 3.36 3.39 -0.02 0.00 -1.26 -4.83 105.19 105.82 2jug n GLY 66 Ca 0.00 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.32 2jug n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jug s SER 67 N 1.51 5.62 0.30 1.61 0.15 -1.26 -4.98 113.70 116.65 2jug s SER 67 Ca 0.59 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 56.39 2jug s SER 67 Cb 0.31 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.62 2jug s SER 67 CO -0.06 -0.32 0.00 0.18 1.20 0.00 0.00 173.24 174.25 2jug n LEU 68 N 4.97 0.00 -0.13 3.45 7.99 -1.26 -4.78 117.00 127.24 2jug n LEU 68 Ca -0.13 0.74 -0.26 0.00 -0.01 0.00 0.00 56.01 56.35 2jug n LEU 68 Cb 0.47 -2.07 -0.10 0.00 -0.11 0.00 0.00 43.42 41.61 2jug n LEU 68 CO 0.35 -1.56 -1.39 -0.11 -1.51 0.00 0.00 177.39 173.17 2jug n LEU 69 N 0.00 2.14 -3.09 2.23 -0.00 -1.26 -5.06 117.00 111.95 2jug n LEU 69 Ca 0.00 0.22 -0.07 0.00 -0.00 0.00 0.00 56.01 56.16 2jug n LEU 69 Cb 0.31 -0.80 0.01 0.00 -0.00 0.00 0.00 43.42 42.93 2jug n LEU 69 CO 0.00 0.64 0.16 0.00 -0.00 0.00 0.00 177.39 178.20 2jug n ALA 70 N -3.96 -2.68 0.10 1.96 0.00 -1.26 -4.95 120.51 109.72 2jug n ALA 70 Ca -0.51 0.36 0.01 0.00 0.00 0.00 0.00 53.44 53.31 2jug n ALA 70 Cb 0.90 -2.19 -0.02 0.00 0.00 0.00 0.00 19.45 18.14 2jug n ALA 70 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2jug h PRO 71 N 0.96 0.00 0.00 0.00 0.14 -2.02 -3.47 132.00 127.61 2jug h PRO 71 Ca -0.10 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.04 2jug h PRO 71 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.20 2jug h PRO 71 CO 0.27 0.47 0.00 1.55 0.14 0.00 0.00 178.00 180.44 2jug n VAL 72 N -3.14 0.00 -1.90 1.56 3.14 -1.26 -4.79 118.33 111.94 2jug n VAL 72 Ca -0.01 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.95 2jug n VAL 72 Cb 0.78 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.56 2jug n VAL 72 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jug n ALA 73 N 0.01 5.68 0.04 1.55 0.00 -1.26 -4.54 120.51 121.98 2jug n ALA 73 Ca 0.00 -4.00 -0.12 0.00 0.00 0.00 0.00 53.44 49.31 2jug n ALA 73 Cb 0.00 -3.32 -0.14 0.00 0.00 0.00 0.00 19.45 15.99 2jug n ALA 73 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2jug h ARG 74 N 5.80 0.13 0.00 0.00 2.43 -1.99 -3.47 114.38 117.27 2jug h ARG 74 Ca 0.54 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 2jug h ARG 74 Cb 0.60 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2jug h ARG 74 CO 1.79 0.93 0.00 0.09 -1.51 0.00 0.00 179.97 181.27 2jug n ASN 75 N -3.32 1.89 0.00 -3.80 4.13 -1.26 -4.92 115.26 107.97 2jug n ASN 75 Ca -0.13 -0.99 0.00 0.00 1.68 0.00 0.00 54.58 55.14 2jug n ASN 75 Cb 1.02 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.26 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 5.00 0.31 0.00 7.41 0.00 -1.26 -4.87 105.19 111.78 2jug n GLY 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.27 116.66 112.37 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 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2jug n ARG 77 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59