#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 3.71 0.00 1.61 0.04 -1.26 -4.79 135.00 134.31 2jug s PRO 2 Ca 0.00 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2jug s PRO 2 Cb 0.00 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.34 2jug s PRO 2 CO 0.00 -1.43 0.00 -0.11 0.04 0.00 0.00 177.00 175.50 2jug n LEU 3 N 9.18 2.03 0.03 -3.56 7.94 -1.26 -4.70 117.00 126.65 2jug n LEU 3 Ca 0.23 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 55.00 2jug n LEU 3 Cb 0.44 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.37 2jug n LEU 3 CO 0.66 0.34 0.29 1.23 -1.11 0.00 0.00 177.39 178.80 2jug h GLY 4 N 0.00 0.59 -1.79 -3.96 0.00 -2.06 -3.50 103.07 92.36 2jug h GLY 4 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 47.33 46.46 2jug h GLY 4 CO 0.00 0.77 -0.43 -1.26 0.00 0.00 0.00 176.54 175.62 2jug n SER 5 N -3.86 -4.91 -4.77 0.19 2.88 -1.26 -4.95 113.62 96.95 2jug n SER 5 Ca -0.06 0.59 -0.38 0.00 -1.33 0.00 0.00 58.87 57.70 2jug n SER 5 Cb 0.74 -1.73 -0.06 0.00 -0.75 0.00 0.00 64.21 62.41 2jug n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2jug s SER 6 N -2.16 6.76 0.20 -3.46 0.01 -1.26 -4.99 113.70 108.79 2jug s SER 6 Ca 0.00 0.90 -0.08 0.00 1.31 0.00 0.00 55.95 58.08 2jug s SER 6 Cb 0.00 -2.28 0.13 0.00 0.21 0.00 0.00 66.02 64.08 2jug s SER 6 CO 0.00 0.14 1.72 0.00 0.41 0.00 0.00 173.24 175.51 2jug h ALA 7 N 5.81 0.96 0.03 1.44 0.00 -1.99 -1.61 119.26 123.90 2jug h ALA 7 Ca -0.45 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2jug h ALA 7 Cb 1.20 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2jug h ALA 7 CO 0.70 0.67 -0.03 0.78 0.00 0.00 0.00 179.25 181.36 2jug h GLY 8 N 1.08 -0.06 1.08 0.00 0.00 -1.98 0.19 103.07 103.38 2jug h GLY 8 Ca 0.22 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 2jug h GLY 8 CO 0.00 -0.03 0.56 0.00 0.00 0.00 0.00 176.54 177.07 2jug h ALA 9 N 0.89 1.28 -0.23 3.60 0.00 -1.96 0.37 119.26 123.22 2jug h ALA 9 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2jug h ALA 9 Cb 0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2jug h ALA 9 CO -0.01 0.63 0.05 1.25 0.00 0.00 0.00 179.25 181.17 2jug h LEU 10 N 1.24 0.35 -0.27 0.00 5.85 -0.94 -1.35 115.31 120.20 2jug h LEU 10 Ca 0.33 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2jug h LEU 10 Cb -0.08 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 2jug h LEU 10 CO -0.06 0.50 0.08 0.25 -0.34 0.00 0.00 178.44 178.87 2jug h LEU 11 N 0.19 0.40 -0.17 2.25 7.12 -0.27 -1.83 115.31 122.99 2jug h LEU 11 Ca 0.07 -0.21 0.03 0.00 0.13 0.00 0.00 57.88 57.90 2jug h LEU 11 Cb 0.29 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.28 2jug h LEU 11 CO 0.00 0.50 0.00 0.00 -0.13 0.00 0.00 178.44 178.81 2jug h ALA 12 N 0.91 0.15 0.00 1.25 0.00 -0.17 0.12 119.26 121.53 2jug h ALA 12 Ca 0.09 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2jug h ALA 12 Cb 0.25 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2jug h ALA 12 CO -0.00 -0.44 -0.51 1.12 0.00 0.00 0.00 179.25 179.42 2jug h HIS 13 N 0.06 0.00 -0.12 0.00 2.07 -1.23 0.43 115.15 116.37 2jug h HIS 13 Ca 0.08 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.53 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 -0.16 0.51 -0.22 0.00 -3.07 0.00 0.00 177.93 174.99 2jug h ALA 14 N 1.49 0.18 -0.40 6.11 0.00 -0.87 -2.42 119.26 123.35 2jug h ALA 14 Ca -0.01 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 2jug h ALA 14 Cb 1.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2jug h ALA 14 CO 0.07 0.14 -0.06 0.00 0.00 0.00 0.00 179.25 179.40 2jug h ALA 15 N 0.53 1.14 -0.65 0.00 0.00 -0.65 0.35 119.26 119.99 2jug h ALA 15 Ca 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2jug h ALA 15 Cb 0.80 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2jug h ALA 15 CO 0.05 0.54 0.36 1.03 0.00 0.00 0.00 179.25 181.24 2jug h SER 16 N 0.63 0.80 1.47 0.00 0.87 -0.88 -2.64 113.55 113.80 2jug h SER 16 Ca 0.12 -0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.50 2jug h SER 16 Cb 0.48 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2jug h SER 16 CO 0.03 0.65 -0.54 -0.07 -0.53 0.00 0.00 176.83 176.37 2jug h LEU 17 N 0.88 0.00 -0.33 2.23 3.38 -1.24 -3.48 115.31 116.76 2jug h LEU 17 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2jug h LEU 17 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2jug h LEU 17 CO -0.04 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.54 2jug n GLY 18 N 1.23 1.05 3.60 0.83 0.00 -0.03 -4.58 105.19 107.29 2jug n GLY 18 Ca 0.01 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.33 4.51 -0.05 1.61 1.01 -0.38 -4.35 120.40 120.42 2jug s VAL 19 Ca 0.00 1.20 0.05 0.00 0.00 0.00 0.00 61.98 63.22 2jug s VAL 19 Cb 0.00 -4.39 -0.00 0.00 0.00 0.00 0.00 36.38 31.98 2jug s VAL 19 CO 0.00 -0.63 -0.19 -0.13 0.00 0.00 0.00 175.10 174.15 2jug s ARG 20 N 3.66 1.97 -0.05 2.72 0.52 0.70 -4.72 118.95 123.75 2jug s ARG 20 Ca 0.40 -0.66 0.01 0.00 -0.52 0.00 0.00 55.73 54.96 2jug s ARG 20 Cb -0.11 -1.68 0.02 0.00 0.52 0.00 0.00 34.95 33.70 2jug s ARG 20 CO 0.21 0.25 -0.04 -0.51 0.02 0.00 0.00 175.30 175.23 2jug s LEU 21 N 0.05 1.28 -0.11 2.53 1.02 -1.26 0.08 118.68 122.27 2jug s LEU 21 Ca -0.05 -0.13 -0.16 0.00 0.02 0.00 0.00 54.13 53.81 2jug s LEU 21 Cb -0.12 -0.47 0.04 0.00 0.02 0.00 0.00 46.19 45.66 2jug s LEU 21 CO 0.03 -0.06 0.40 -1.66 0.02 0.00 0.00 176.35 175.08 2jug s TRP 22 N 1.01 -0.39 -0.14 0.29 -2.14 -0.82 -4.27 118.94 112.48 2jug s TRP 22 Ca -0.10 0.86 -0.21 0.00 2.66 0.00 0.00 56.10 59.32 2jug s TRP 22 Cb -0.14 0.16 -0.03 0.00 -3.10 0.00 0.00 33.47 30.35 2jug s TRP 22 CO -0.00 -0.30 0.62 0.54 -2.66 0.00 0.00 176.95 175.14 2jug s VAL 23 N -0.36 5.06 -0.30 -0.66 0.11 -1.26 0.77 120.40 123.77 2jug s VAL 23 Ca -0.05 1.22 0.02 0.00 -2.93 0.00 0.00 61.98 60.24 2jug s VAL 23 Cb -0.03 -3.95 0.07 0.00 -1.53 0.00 0.00 36.38 30.94 2jug s VAL 23 CO 0.02 0.20 -0.03 -0.70 -3.33 0.00 0.00 175.10 171.27 2jug s GLU 24 N 1.30 2.01 5.29 1.54 2.56 0.06 -4.91 118.70 126.55 2jug s GLU 24 Ca 0.31 -1.53 0.00 0.00 0.00 0.00 0.00 54.97 53.74 2jug s GLU 24 Cb -0.16 -3.07 0.00 0.00 2.00 0.00 0.00 34.13 32.90 2jug s GLU 24 CO 0.13 -0.72 0.00 0.41 -0.56 0.00 0.00 175.26 174.51 2jug n GLY 25 N 4.41 1.39 0.12 -1.50 0.00 -1.26 -1.66 105.19 106.69 2jug n GLY 25 Ca -0.07 0.13 0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 1.85 -3.74 1.61 0.00 -1.26 -4.97 120.64 114.14 2jug n GLU 26 Ca 0.00 -0.49 -0.38 0.00 0.00 0.00 0.00 57.16 56.29 2jug n GLU 26 Cb 0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 31.44 30.37 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 -0.77 3.06 -0.10 3.44 6.06 -0.67 -5.06 118.95 124.93 2jug s ARG 27 Ca 0.04 -0.88 -0.29 0.00 -2.50 0.00 0.00 55.73 52.10 2jug s ARG 27 Cb 0.04 -3.42 -0.05 0.00 0.06 0.00 0.00 34.95 31.58 2jug s ARG 27 CO 0.10 -0.47 1.62 -1.17 -2.50 0.00 0.00 175.30 172.88 2jug s LEU 28 N 1.51 4.22 -0.13 -0.88 0.20 -1.26 -0.76 118.68 121.57 2jug s LEU 28 Ca 0.02 2.07 -0.23 0.00 0.69 0.00 0.00 54.13 56.68 2jug s LEU 28 Cb -0.17 -3.53 -0.03 0.00 -0.43 0.00 0.00 46.19 42.02 2jug s LEU 28 CO 0.03 -0.99 0.69 -0.13 -0.29 0.00 0.00 176.35 175.66 2jug s ARG 29 N 4.14 4.34 -0.13 1.98 1.81 0.23 -4.92 118.95 126.40 2jug s ARG 29 Ca 0.72 0.79 -0.01 0.00 -1.72 0.00 0.00 55.73 55.51 2jug s ARG 29 Cb -0.31 -3.51 -0.02 0.00 -0.45 0.00 0.00 34.95 30.66 2jug s ARG 29 CO 0.28 -0.10 -0.08 0.12 -0.68 0.00 0.00 175.30 174.84 2jug s PHE 30 N 1.38 2.91 -0.26 -0.53 2.19 -1.26 -1.94 117.98 120.48 2jug s PHE 30 Ca 0.34 -0.41 0.01 0.00 0.33 0.00 0.00 56.93 57.20 2jug s PHE 30 Cb -0.17 -1.87 0.07 0.00 -1.31 0.00 0.00 43.02 39.74 2jug s PHE 30 CO 0.14 -0.07 -0.03 -1.14 1.83 0.00 0.00 175.22 175.95 2jug s GLN 31 N 0.21 1.59 -0.15 10.12 2.00 0.11 -4.99 119.66 128.55 2jug s GLN 31 Ca -0.05 -1.15 -0.08 0.00 -2.00 0.00 0.00 55.36 52.08 2jug s GLN 31 Cb -0.15 -2.65 0.06 0.00 0.80 0.00 0.00 33.01 31.07 2jug s GLN 31 CO 0.04 -0.67 0.36 0.00 -0.50 0.00 0.00 175.29 174.52 2jug s ALA 32 N 1.32 -0.90 0.75 1.58 0.00 -1.26 -0.22 121.76 123.04 2jug s ALA 32 Ca -0.03 1.37 -0.13 0.00 0.00 0.00 0.00 51.96 53.17 2jug s ALA 32 Cb -0.19 -0.84 0.05 0.00 0.00 0.00 0.00 23.12 22.14 2jug s ALA 32 CO -0.08 -0.25 1.12 -1.25 0.00 0.00 0.00 175.76 175.30 2jug s PRO 33 N 1.38 2.21 0.09 0.00 0.04 -1.26 -4.93 135.00 132.53 2jug s PRO 33 Ca -0.09 1.40 -0.31 0.00 0.04 0.00 0.00 61.00 62.03 2jug s PRO 33 Cb -0.09 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 2jug s PRO 33 CO -0.11 -1.71 1.87 -0.35 0.04 0.00 0.00 177.00 176.74 2jug n PRO 34 N -3.15 2.76 0.00 0.56 -0.04 -1.26 -2.76 135.00 131.11 2jug n PRO 34 Ca 0.11 1.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.57 2jug n PRO 34 Cb 0.52 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 2jug n PRO 34 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jug n GLY 35 N 4.30 2.16 0.88 0.55 0.00 -1.26 -4.90 105.19 106.92 2jug n GLY 35 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 2jug n GLY 35 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jug n VAL 36 N -0.44 0.35 -0.45 1.61 0.24 -1.11 -4.07 118.33 114.45 2jug n VAL 36 Ca 0.00 -0.56 0.06 0.00 -2.04 0.00 0.00 64.34 61.80 2jug n VAL 36 Cb 0.00 0.73 0.32 0.00 -1.47 0.00 0.00 33.84 33.42 2jug n VAL 36 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 2jug n MET 37 N 0.97 3.96 -1.69 7.34 0.00 -1.26 -4.78 117.12 121.65 2jug n MET 37 Ca 0.18 -2.49 -0.39 0.00 0.00 0.00 0.00 57.70 54.99 2jug n MET 37 Cb 0.48 -2.05 0.03 0.00 0.00 0.00 0.00 33.22 31.69 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 0.58 3.36 -0.33 1.12 -2.24 -1.26 -4.69 114.28 110.82 2jug n THR 38 Ca 0.22 -0.50 0.13 0.00 -2.27 0.00 0.00 64.05 61.63 2jug n THR 38 Cb 0.96 -1.47 0.31 0.00 -2.10 0.00 0.00 70.33 68.03 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 1.38 0.62 -0.22 -0.78 0.11 -1.97 -0.24 132.00 130.90 2jug h PRO 39 Ca -0.49 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.61 2jug h PRO 39 Cb 1.32 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2jug h PRO 39 CO 0.56 0.41 0.07 1.49 -0.21 0.00 0.00 178.00 180.32 2jug h GLU 40 N 0.64 0.16 -0.51 1.05 4.81 -1.98 -0.66 114.58 118.08 2jug h GLU 40 Ca 0.56 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.69 2jug h GLU 40 Cb 0.94 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 2jug h GLU 40 CO -0.42 0.11 -0.05 1.25 -0.73 0.00 0.00 179.01 179.17 2jug h LEU 41 N 0.16 0.88 -0.96 1.64 6.46 -1.42 0.34 115.31 122.41 2jug h LEU 41 Ca 0.10 -0.25 0.01 0.00 -0.12 0.00 0.00 57.88 57.62 2jug h LEU 41 Cb 0.08 -0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 39.72 2jug h LEU 41 CO -0.11 0.96 0.63 -0.61 -0.62 0.00 0.00 178.44 178.70 2jug h GLN 42 N 0.82 1.27 0.00 1.25 5.75 -0.90 0.01 115.11 123.32 2jug h GLN 42 Ca 0.15 -0.08 -0.13 0.00 -0.15 0.00 0.00 58.65 58.44 2jug h GLN 42 Cb 0.55 -0.28 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 2jug h GLN 42 CO 0.03 0.84 -0.61 1.03 -2.65 0.00 0.00 178.83 177.47 2jug h SER 43 N 1.30 0.00 0.09 -0.69 0.87 -0.32 -2.92 113.55 111.88 2jug h SER 43 Ca 0.35 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.83 2jug h SER 43 Cb -0.14 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 2jug h SER 43 CO -0.07 0.61 -0.26 0.03 -0.53 0.00 0.00 176.83 176.61 2jug h ARG 44 N 0.00 0.28 0.00 2.24 2.47 0.85 -1.25 114.38 118.97 2jug h ARG 44 Ca -0.01 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.60 2jug h ARG 44 Cb 1.10 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.40 2jug h ARG 44 CO 0.08 0.53 -0.07 -0.07 0.56 0.00 0.00 179.97 181.00 2jug h LEU 45 N 0.26 0.00 0.00 3.04 3.38 -0.84 -3.46 115.31 117.69 2jug h LEU 45 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2jug h LEU 45 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2jug h LEU 45 CO 0.04 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.25 2jug n GLY 46 N -0.99 2.94 2.33 0.83 0.00 -0.47 -4.03 105.19 105.79 2jug n GLY 46 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.27 0.74 3.90 -0.02 0.00 -1.26 -5.00 105.19 102.28 2jug n GLY 47 Ca 0.00 -0.38 -0.32 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 -2.56 3.79 0.04 4.61 0.00 -1.26 -5.02 121.76 121.36 2jug s ALA 48 Ca 0.00 -0.55 -0.21 0.00 0.00 0.00 0.00 51.96 51.19 2jug s ALA 48 Cb 0.00 -2.13 -0.14 0.00 0.00 0.00 0.00 23.12 20.85 2jug s ALA 48 CO 0.00 0.67 1.42 0.07 0.00 0.00 0.00 175.76 177.92 2jug h ARG 49 N 2.86 0.25 -0.28 0.00 -0.00 -1.96 -2.57 114.38 112.68 2jug h ARG 49 Ca -0.46 -0.10 -0.00 0.00 -0.00 0.00 0.00 59.98 59.42 2jug h ARG 49 Cb 1.17 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 31.11 2jug h ARG 49 CO 0.72 0.55 0.16 1.12 -0.00 0.00 0.00 179.97 182.53 2jug h HIS 50 N -0.06 0.36 -0.32 4.08 2.07 -2.00 -0.99 115.15 118.29 2jug h HIS 50 Ca 0.03 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.40 2jug h HIS 50 Cb 0.46 -0.12 -0.01 0.00 2.57 0.00 0.00 27.41 30.32 2jug h HIS 50 CO 0.05 0.25 -0.44 0.93 -3.07 0.00 0.00 177.93 175.66 2jug h GLU 51 N 0.38 0.81 0.00 5.12 3.07 -1.89 -2.77 114.58 119.30 2jug h GLU 51 Ca 0.10 -0.45 -0.07 0.00 -0.50 0.00 0.00 59.36 58.44 2jug h GLU 51 Cb -0.01 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 2jug h GLU 51 CO -0.02 1.08 -0.33 -0.07 -1.40 0.00 0.00 179.01 178.27 2jug h LEU 52 N 0.65 0.00 0.14 1.33 3.38 -0.88 0.28 115.31 120.22 2jug h LEU 52 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2jug h LEU 52 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2jug h LEU 52 CO 0.10 0.33 -0.07 0.40 0.09 0.00 0.00 178.44 179.29 2jug h ILE 53 N 0.00 0.91 -0.35 1.22 2.04 -0.96 0.33 117.51 120.70 2jug h ILE 53 Ca -0.00 -0.19 -0.12 0.00 1.00 0.00 0.00 64.86 65.54 2jug h ILE 53 Cb 0.79 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2jug h ILE 53 CO 0.04 0.05 -0.28 0.00 0.00 0.00 0.00 178.15 177.95 2jug h ALA 54 N 0.57 0.85 -0.25 1.87 0.00 -1.24 -0.82 119.26 120.25 2jug h ALA 54 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2jug h ALA 54 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2jug h ALA 54 CO 0.03 0.64 0.16 1.25 0.00 0.00 0.00 179.25 181.33 2jug h LEU 55 N 0.62 0.27 -0.84 0.00 7.12 -0.28 -0.95 115.31 121.26 2jug h LEU 55 Ca 0.08 -0.00 -0.11 0.00 0.13 0.00 0.00 57.88 57.97 2jug h LEU 55 Cb 0.80 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.85 2jug h LEU 55 CO 0.07 0.20 -0.28 0.25 -0.13 0.00 0.00 178.44 178.54 2jug h LEU 56 N 0.33 0.56 -1.53 2.25 5.85 -0.26 -2.78 115.31 119.72 2jug h LEU 56 Ca 0.09 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2jug h LEU 56 Cb -0.03 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.85 2jug h LEU 56 CO -0.03 0.82 0.00 -0.09 -0.34 0.00 0.00 178.44 178.80 2jug h ARG 57 N 0.47 0.00 0.00 1.25 2.43 -0.59 -2.93 114.38 115.02 2jug h ARG 57 Ca 0.06 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 2jug h ARG 57 Cb 0.73 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2jug h ARG 57 CO 0.06 0.00 -0.16 -0.56 -1.51 0.00 0.00 179.97 177.79 2jug h GLN 58 N 0.00 0.00 -0.46 0.20 3.07 -0.89 -1.65 115.11 115.38 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 0.45 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.01 2jug h GLN 58 CO 0.00 0.16 0.00 1.47 0.09 0.00 0.00 178.83 180.55 2jug n LEU 59 N -4.08 3.24 -4.70 0.06 -0.00 -1.11 -4.93 117.00 105.47 2jug n LEU 59 Ca -0.02 -1.96 -0.38 0.00 -0.00 0.00 0.00 56.01 53.66 2jug n LEU 59 Cb 0.24 -0.31 -0.07 0.00 -0.00 0.00 0.00 43.42 43.29 2jug n LEU 59 CO 0.34 0.80 0.11 -1.10 -0.00 0.00 0.00 177.39 177.54 2jug s GLN 60 N -1.01 4.26 0.00 1.47 -0.21 -0.62 -4.95 119.66 118.60 2jug s GLN 60 Ca 0.31 0.29 0.01 0.00 0.02 0.00 0.00 55.36 55.99 2jug s GLN 60 Cb 0.17 -3.47 0.07 0.00 1.00 0.00 0.00 33.01 30.77 2jug s GLN 60 CO 0.22 0.10 0.68 -2.30 -2.12 0.00 0.00 175.29 171.87 2jug n PRO 61 N 3.95 0.63 0.09 2.91 -0.02 -1.26 -3.09 135.00 138.21 2jug n PRO 61 Ca -0.08 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.32 2jug n PRO 61 Cb 0.51 -1.03 0.01 0.00 -0.02 0.00 0.00 33.50 32.97 2jug n PRO 61 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2jug h SER 62 N 0.00 0.19 -3.30 2.55 0.02 -1.92 -3.43 113.55 107.65 2jug h SER 62 Ca 0.00 -0.15 -0.66 0.00 -0.84 0.00 0.00 61.79 60.14 2jug h SER 62 Cb 0.00 -0.06 -0.29 0.00 0.14 0.00 0.00 62.40 62.19 2jug h SER 62 CO 0.00 0.95 -0.76 -0.44 -1.14 0.00 0.00 176.83 175.44 2jug s SER 63 N -6.89 3.96 0.04 3.07 0.01 -1.18 -5.10 113.70 107.61 2jug s SER 63 Ca -0.02 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.80 2jug s SER 63 Cb 0.10 -1.65 -0.04 0.00 0.21 0.00 0.00 66.02 64.64 2jug s SER 63 CO 0.82 0.02 0.14 -1.10 0.41 0.00 0.00 173.24 173.53 2jug s GLN 64 N 1.24 3.21 -0.07 12.44 1.11 -1.26 -4.95 119.66 131.38 2jug s GLN 64 Ca 0.03 -0.50 -0.26 0.00 0.01 0.00 0.00 55.36 54.64 2jug s GLN 64 Cb -0.14 -2.93 -0.24 0.00 -1.01 0.00 0.00 33.01 28.69 2jug s GLN 64 CO -0.04 0.61 0.98 0.78 0.01 0.00 0.00 175.29 177.63 2jug h GLY 65 N 3.44 0.11 -5.58 3.09 0.00 -2.00 -3.38 103.07 98.75 2jug h GLY 65 Ca -0.47 -0.20 -0.61 0.00 0.00 0.00 0.00 47.33 46.05 2jug h GLY 65 CO 0.70 0.18 -0.48 0.61 0.00 0.00 0.00 176.54 177.55 2jug n GLY 66 N 1.12 5.49 0.01 4.60 0.00 -1.26 -4.71 105.19 110.44 2jug n GLY 66 Ca -0.10 -2.77 0.06 0.00 0.00 0.00 0.00 46.02 43.21 2jug n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jug n SER 67 N 0.02 1.46 -4.47 1.61 3.41 -1.26 -4.94 113.62 109.45 2jug n SER 67 Ca 0.32 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.57 2jug n SER 67 Cb 0.38 1.61 -0.12 0.00 -0.26 0.00 0.00 64.21 65.82 2jug n SER 67 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2jug s LEU 68 N -4.19 3.45 -0.04 1.04 2.96 -1.26 -5.08 118.68 115.56 2jug s LEU 68 Ca -0.06 -0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 53.64 2jug s LEU 68 Cb 0.09 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.89 2jug s LEU 68 CO 0.64 0.02 0.12 -1.48 -1.32 0.00 0.00 176.35 174.33 2jug s LEU 69 N 1.29 1.54 -0.35 -0.68 0.05 -1.26 -5.12 118.68 114.15 2jug s LEU 69 Ca 0.05 0.19 0.03 0.00 0.05 0.00 0.00 54.13 54.45 2jug s LEU 69 Cb -0.15 0.44 0.16 0.00 -2.05 0.00 0.00 46.19 44.60 2jug s LEU 69 CO 0.03 -0.08 0.43 0.00 -0.55 0.00 0.00 176.35 176.18 2jug s ALA 70 N -0.11 -1.04 -0.69 1.48 0.00 -1.26 -5.11 121.76 115.03 2jug s ALA 70 Ca -0.02 -0.33 -0.27 0.00 0.00 0.00 0.00 51.96 51.35 2jug s ALA 70 Cb -0.02 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.93 2jug s ALA 70 CO 0.00 -2.00 1.58 -2.14 0.00 0.00 0.00 175.76 173.20 2jug s PRO 71 N 1.93 2.92 -0.05 0.00 0.02 -1.26 -4.72 135.00 133.83 2jug s PRO 71 Ca 0.14 0.13 0.04 0.00 0.02 0.00 0.00 61.00 61.32 2jug s PRO 71 Cb -0.12 -4.35 -0.06 0.00 0.02 0.00 0.00 34.50 29.99 2jug s PRO 71 CO -0.15 -2.47 0.00 1.55 -0.33 0.00 0.00 177.00 175.61 2jug n VAL 72 N 6.84 0.35 -2.27 3.83 3.14 -1.26 -4.54 118.33 124.41 2jug n VAL 72 Ca 0.13 -0.20 -0.43 0.00 -2.96 0.00 0.00 64.34 60.88 2jug n VAL 72 Cb 0.50 -0.84 -0.02 0.00 -1.06 0.00 0.00 33.84 32.42 2jug n VAL 72 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jug s ALA 73 N -2.12 3.22 0.00 1.55 0.00 -1.26 -3.16 121.76 119.98 2jug s ALA 73 Ca -0.04 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2jug s ALA 73 Cb 0.02 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 19.28 2jug s ALA 73 CO 0.20 -2.04 0.00 0.54 0.00 0.00 0.00 175.76 174.45 2jug n ARG 74 N 7.69 0.00 0.00 0.00 1.74 -1.26 -4.67 116.66 120.16 2jug n ARG 74 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2jug n ARG 74 Cb 0.46 -2.44 0.00 0.00 -1.02 0.00 0.00 32.46 29.46 2jug n ARG 74 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2jug n ASN 75 N 0.00 0.00 -0.75 0.55 2.85 -1.19 -2.09 115.26 114.62 2jug n ASN 75 Ca 0.00 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.43 2jug n ASN 75 Cb 0.00 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 40.98 2jug n ASN 75 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jug n GLY 76 N 0.00 0.18 3.20 8.20 0.00 -1.26 -4.82 105.19 110.69 2jug n GLY 76 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2jug n GLY 76 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jug s ARG 77 N 0.00 2.55 0.00 1.61 6.06 -0.89 -5.28 118.95 123.00 2jug s ARG 77 Ca 0.00 -1.92 0.00 0.00 -2.50 0.00 0.00 55.73 51.31 2jug s ARG 77 Cb 0.00 -3.93 0.00 0.00 0.06 0.00 0.00 34.95 31.08 2jug s ARG 77 CO 0.00 -1.20 0.00 -0.11 -2.50 0.00 0.00 175.30 171.49