#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jbz s MET 1 N 0.00 4.40 0.00 -1.40 1.00 -1.26 -4.93 119.30 117.11 2jbz s MET 1 Ca 0.00 2.11 0.00 0.00 0.00 0.00 0.00 55.69 57.80 2jbz s MET 1 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 34.83 31.70 2jbz s MET 1 CO 0.00 -0.17 0.00 -1.13 0.00 0.00 0.00 175.02 173.72 2jbz n SER 2 N 1.55 0.00 -4.69 3.03 3.41 -1.26 -4.97 113.62 110.69 2jbz n SER 2 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.21 2jbz n SER 2 Cb 0.42 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 2jbz n SER 2 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2jbz s ILE 3 N 0.00 4.22 -0.20 -1.33 1.01 -1.26 -0.02 121.20 123.61 2jbz s ILE 3 Ca 0.00 1.56 0.12 0.00 0.00 0.00 0.00 60.65 62.33 2jbz s ILE 3 Cb 0.00 -4.00 -0.23 0.00 0.01 0.00 0.00 42.46 38.24 2jbz s ILE 3 CO 0.00 0.02 0.04 -0.38 0.00 0.00 0.00 174.94 174.62 2jbz n ILE 4 N 4.47 1.45 -3.53 2.92 5.41 0.66 -4.92 119.36 125.83 2jbz n ILE 4 Ca 0.10 -0.76 -0.07 0.00 1.00 0.00 0.00 62.75 63.02 2jbz n ILE 4 Cb 0.46 -0.84 -0.02 0.00 -0.71 0.00 0.00 39.64 38.53 2jbz n ILE 4 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2jbz s GLY 5 N -5.77 -0.40 0.08 7.39 0.00 -1.07 -4.99 107.32 102.55 2jbz s GLY 5 Ca -0.18 1.24 0.05 0.00 0.00 0.00 0.00 44.72 45.83 2jbz s GLY 5 CO 0.76 0.43 -0.13 0.54 0.00 0.00 0.00 173.10 174.70 2jbz s VAL 6 N -2.81 1.04 0.01 1.40 0.11 -1.26 -0.81 120.40 118.08 2jbz s VAL 6 Ca 0.06 -1.37 0.00 0.00 -2.93 0.00 0.00 61.98 57.74 2jbz s VAL 6 Cb -0.01 -1.10 -0.01 0.00 -1.53 0.00 0.00 36.38 33.73 2jbz s VAL 6 CO -0.07 -0.32 -0.02 -0.83 -3.33 0.00 0.00 175.10 170.53 2jbz s GLY 7 N -1.90 0.16 0.04 6.54 0.00 -0.02 -3.83 107.32 108.30 2jbz s GLY 7 Ca -0.01 -0.33 0.05 0.00 0.00 0.00 0.00 44.72 44.43 2jbz s GLY 7 CO 0.02 -0.36 -0.13 -1.50 0.00 0.00 0.00 173.10 171.12 2jbz s ILE 8 N -0.75 1.05 -0.08 0.90 2.07 -1.26 -1.02 121.20 122.12 2jbz s ILE 8 Ca -0.08 -0.97 -0.17 0.00 -1.41 0.00 0.00 60.65 58.03 2jbz s ILE 8 Cb -0.05 -0.96 0.04 0.00 0.13 0.00 0.00 42.46 41.61 2jbz s ILE 8 CO -0.00 -0.01 0.40 -0.62 -1.91 0.00 0.00 174.94 172.79 2jbz s ASP 9 N -1.11 -0.35 -0.07 4.50 2.15 -0.70 -4.64 116.67 116.45 2jbz s ASP 9 Ca 0.01 0.48 0.01 0.00 0.43 0.00 0.00 52.55 53.48 2jbz s ASP 9 Cb -0.08 0.57 0.02 0.00 -0.30 0.00 0.00 42.92 43.13 2jbz s ASP 9 CO 0.01 -0.34 -0.07 -0.69 -0.17 0.00 0.00 175.17 173.92 2jbz s VAL 10 N -0.65 0.80 -0.08 1.11 1.01 -1.26 -1.16 120.40 120.17 2jbz s VAL 10 Ca -0.07 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.72 2jbz s VAL 10 Cb -0.04 -0.80 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 2jbz s VAL 10 CO 0.03 0.30 -0.23 0.00 0.00 0.00 0.00 175.10 175.20 2jbz s ALA 11 N 1.15 2.08 -0.27 5.51 0.00 0.72 -4.96 121.76 125.98 2jbz s ALA 11 Ca -0.07 -0.95 -0.29 0.00 0.00 0.00 0.00 51.96 50.66 2jbz s ALA 11 Cb -0.14 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.25 2jbz s ALA 11 CO -0.01 0.32 1.25 -2.00 0.00 0.00 0.00 175.76 175.32 2jbz s GLU 12 N 0.18 4.02 0.13 0.00 2.12 -1.26 -0.11 118.70 123.78 2jbz s GLU 12 Ca -0.13 1.32 -0.19 0.00 0.36 0.00 0.00 54.97 56.33 2jbz s GLU 12 Cb -0.16 -3.82 -0.03 0.00 0.26 0.00 0.00 34.13 30.38 2jbz s GLU 12 CO 0.07 -0.98 1.73 0.28 -0.54 0.00 0.00 175.26 175.82 2jbz h VAL 13 N 5.80 0.88 -0.49 3.70 2.07 -1.58 -1.45 116.25 125.19 2jbz h VAL 13 Ca -0.25 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.24 2jbz h VAL 13 Cb 1.09 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 2jbz h VAL 13 CO 1.02 0.02 0.31 -0.08 0.02 0.00 0.00 177.57 178.86 2jbz h GLU 14 N 0.11 0.62 -0.52 1.57 4.81 -1.92 0.62 114.58 119.86 2jbz h GLU 14 Ca 0.10 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2jbz h GLU 14 Cb 0.10 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 2jbz h GLU 14 CO -0.14 0.41 0.34 -0.09 -0.73 0.00 0.00 179.01 178.80 2jbz h ARG 15 N 0.63 0.68 -0.51 1.92 2.43 -1.88 -1.25 114.38 116.40 2jbz h ARG 15 Ca 0.19 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2jbz h ARG 15 Cb -0.04 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 2jbz h ARG 15 CO -0.06 0.45 0.23 0.35 -1.51 0.00 0.00 179.97 179.43 2jbz h PHE 16 N 0.70 0.75 -0.39 2.20 3.57 -0.38 -1.31 116.94 122.09 2jbz h PHE 16 Ca 0.19 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.67 2jbz h PHE 16 Cb -0.08 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.40 2jbz h PHE 16 CO -0.04 0.61 0.21 0.78 -2.23 0.00 0.00 178.31 177.63 2jbz h GLY 17 N 0.68 0.53 0.43 2.40 0.00 -0.72 -1.81 103.07 104.59 2jbz h GLY 17 Ca 0.17 -0.15 0.14 0.00 0.00 0.00 0.00 47.33 47.49 2jbz h GLY 17 CO -0.02 0.12 0.62 0.00 0.00 0.00 0.00 176.54 177.26 2jbz h ALA 18 N 1.19 1.61 -0.29 3.60 0.00 -0.95 -1.82 119.26 122.60 2jbz h ALA 18 Ca 0.16 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 2jbz h ALA 18 Cb 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2jbz h ALA 18 CO -0.10 0.13 -0.42 0.00 0.00 0.00 0.00 179.25 178.86 2jbz h ALA 19 N 1.57 0.72 -0.49 0.00 0.00 -0.45 -1.45 119.26 119.15 2jbz h ALA 19 Ca 0.50 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2jbz h ALA 19 Cb 0.60 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2jbz h ALA 19 CO -0.27 0.66 -0.18 -0.07 0.00 0.00 0.00 179.25 179.40 2jbz h LEU 20 N 0.58 1.00 -0.43 0.00 3.38 -1.01 -2.90 115.31 115.92 2jbz h LEU 20 Ca 0.04 -0.36 -0.16 0.00 0.09 0.00 0.00 57.88 57.49 2jbz h LEU 20 Cb 0.96 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2jbz h LEU 20 CO 0.09 1.15 -0.45 -0.33 0.09 0.00 0.00 178.44 178.98 2jbz h GLU 21 N 0.86 0.81 -0.49 1.13 5.08 -1.21 -3.25 114.58 117.52 2jbz h GLU 21 Ca 0.12 -0.46 -0.04 0.00 -1.00 0.00 0.00 59.36 57.98 2jbz h GLU 21 Cb 0.75 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2jbz h GLU 21 CO 0.06 1.09 0.14 -0.09 -1.00 0.00 0.00 179.01 179.21 2jbz h ARG 22 N 0.65 0.76 -4.65 2.33 2.43 -1.27 -3.40 114.38 111.24 2jbz h ARG 22 Ca 0.04 -0.17 -0.67 0.00 -0.81 0.00 0.00 59.98 58.37 2jbz h ARG 22 Cb 1.03 -0.11 -0.38 0.00 -0.42 0.00 0.00 29.97 30.09 2jbz h ARG 22 CO 0.10 0.73 -0.68 0.99 -1.51 0.00 0.00 179.97 179.60 2jbz s THR 23 N -5.36 2.58 0.37 0.20 2.01 -1.10 -5.00 115.64 109.33 2jbz s THR 23 Ca -0.13 -2.16 0.13 0.00 0.31 0.00 0.00 61.69 59.84 2jbz s THR 23 Cb 0.11 -2.81 0.35 0.00 0.01 0.00 0.00 72.50 70.16 2jbz s THR 23 CO 0.79 -0.55 1.82 -0.65 -0.69 0.00 0.00 174.62 175.33 2jbz h PRO 24 N 7.76 0.54 0.00 4.92 0.11 -1.78 -1.37 132.00 142.18 2jbz h PRO 24 Ca -0.09 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2jbz h PRO 24 Cb 1.03 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2jbz h PRO 24 CO 0.56 0.36 0.00 0.00 -0.21 0.00 0.00 178.00 178.71 2jbz h ALA 25 N 1.62 1.00 0.11 -0.75 0.00 -1.95 -3.36 119.26 115.93 2jbz h ALA 25 Ca 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.43 2jbz h ALA 25 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2jbz h ALA 25 CO -0.26 0.00 -0.05 1.25 0.00 0.00 0.00 179.25 180.18 2jbz h LEU 26 N 0.00 -0.12 -0.72 0.00 5.85 -1.55 -2.60 115.31 116.17 2jbz h LEU 26 Ca 0.00 -0.11 0.13 0.00 0.84 0.00 0.00 57.88 58.74 2jbz h LEU 26 Cb 0.51 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.48 2jbz h LEU 26 CO 0.00 0.03 0.27 0.00 -0.34 0.00 0.00 178.44 178.41 2jbz h ALA 27 N 0.61 0.98 0.00 1.25 0.00 -1.77 0.57 119.26 120.90 2jbz h ALA 27 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2jbz h ALA 27 Cb 0.22 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2jbz h ALA 27 CO 0.02 -0.21 0.00 0.78 0.00 0.00 0.00 179.25 179.85 2jbz h GLY 28 N 0.43 0.00 1.52 0.00 0.00 -1.76 0.65 103.07 103.91 2jbz h GLY 28 Ca 0.39 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.46 2jbz h GLY 28 CO -0.38 0.00 -1.33 3.21 0.00 0.00 0.00 176.54 178.03 2jbz h ARG 29 N 0.00 0.05 0.01 4.80 3.08 -0.54 -3.38 114.38 118.40 2jbz h ARG 29 Ca 0.00 -0.08 -0.30 0.00 0.07 0.00 0.00 59.98 59.67 2jbz h ARG 29 Cb 0.43 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.46 2jbz h ARG 29 CO 0.00 0.85 -1.80 1.28 -1.07 0.00 0.00 179.97 179.23 2jbz n LEU 30 N -3.27 0.90 -4.22 3.04 4.77 -0.57 -4.44 117.00 113.22 2jbz n LEU 30 Ca -0.09 0.36 -0.24 0.00 -0.03 0.00 0.00 56.01 56.02 2jbz n LEU 30 Cb 1.00 0.12 -0.14 0.00 -2.33 0.00 0.00 43.42 42.07 2jbz n LEU 30 CO 0.47 0.43 -0.50 -0.36 -1.33 0.00 0.00 177.39 176.10 2jbz s PHE 31 N -2.58 1.62 0.47 -1.77 0.08 0.19 -4.48 117.98 111.50 2jbz s PHE 31 Ca -0.06 -0.37 -0.20 0.00 0.12 0.00 0.00 56.93 56.42 2jbz s PHE 31 Cb 0.08 -0.96 -0.09 0.00 -0.57 0.00 0.00 43.02 41.47 2jbz s PHE 31 CO 0.82 0.08 0.99 -0.51 -0.10 0.00 0.00 175.22 176.50 2jbz s LEU 32 N -1.20 3.85 0.27 -0.37 1.43 -1.26 -4.53 118.68 116.87 2jbz s LEU 32 Ca 0.05 1.77 -0.03 0.00 -1.03 0.00 0.00 54.13 54.89 2jbz s LEU 32 Cb -0.09 -4.54 0.58 0.00 0.03 0.00 0.00 46.19 42.18 2jbz s LEU 32 CO 0.02 -0.57 1.61 -0.08 0.23 0.00 0.00 176.35 177.56 2jbz h GLU 33 N 1.60 0.08 -0.72 1.70 4.81 -1.96 -0.12 114.58 119.97 2jbz h GLU 33 Ca -0.49 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.77 2jbz h GLU 33 Cb 1.20 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 2jbz h GLU 33 CO 0.60 0.05 0.48 0.66 -0.73 0.00 0.00 179.01 180.07 2jbz h SER 34 N 0.08 0.76 0.88 1.04 4.64 -1.94 -2.10 113.55 116.90 2jbz h SER 34 Ca 0.50 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.76 2jbz h SER 34 Cb 0.95 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 2jbz h SER 34 CO -0.77 0.52 -0.24 -0.33 -0.87 0.00 0.00 176.83 175.15 2jbz h GLU 35 N 0.88 0.00 -0.00 4.77 5.08 -1.30 -3.07 114.58 120.94 2jbz h GLU 35 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2jbz h GLU 35 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2jbz h GLU 35 CO -0.08 0.24 -0.06 1.28 -1.00 0.00 0.00 179.01 179.39 2jbz n LEU 36 N -3.43 0.25 -4.53 1.33 4.77 -0.79 -4.80 117.00 109.80 2jbz n LEU 36 Ca -0.00 0.11 -0.30 0.00 -0.03 0.00 0.00 56.01 55.80 2jbz n LEU 36 Cb 0.43 -0.21 -0.11 0.00 -2.33 0.00 0.00 43.42 41.21 2jbz n LEU 36 CO 0.34 0.05 -0.46 -0.76 -1.33 0.00 0.00 177.39 175.22 2jbz s LEU 37 N -2.47 2.86 0.42 2.23 1.43 -1.16 -0.23 118.68 121.75 2jbz s LEU 37 Ca 0.31 -0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 52.81 2jbz s LEU 37 Cb 0.20 -1.68 -0.07 0.00 0.03 0.00 0.00 46.19 44.67 2jbz s LEU 37 CO 0.46 0.19 0.83 -0.76 0.23 0.00 0.00 176.35 177.29 2jbz s LEU 38 N -2.09 3.82 0.34 1.79 1.43 0.75 -4.66 118.68 120.07 2jbz s LEU 38 Ca 0.19 1.29 0.15 0.00 -1.03 0.00 0.00 54.13 54.73 2jbz s LEU 38 Cb -0.11 -4.17 1.12 0.00 0.03 0.00 0.00 46.19 43.06 2jbz s LEU 38 CO 0.11 -0.41 1.62 -0.65 0.23 0.00 0.00 176.35 177.25 2jbz h PRO 39 N 1.36 0.15 0.00 1.29 0.10 -1.95 0.34 132.00 133.29 2jbz h PRO 39 Ca -0.47 -0.01 0.00 0.00 0.10 0.00 0.00 66.00 65.62 2jbz h PRO 39 Cb 1.18 -0.03 0.00 0.00 0.10 0.00 0.00 31.00 32.25 2jbz h PRO 39 CO 0.63 0.10 0.00 0.78 0.10 0.00 0.00 178.00 179.61 2jbz h GLY 40 N 0.15 0.00 0.00 -0.55 0.00 -2.04 -3.46 103.07 97.17 2jbz h GLY 40 Ca 0.75 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.08 2jbz h GLY 40 CO -0.71 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.44 2jbz n GLY 41 N -0.33 0.71 3.88 4.60 0.00 0.12 -5.11 105.19 109.06 2jbz n GLY 41 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2jbz n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jbz s GLU 42 N -0.54 3.40 0.06 1.61 8.01 -1.26 -4.79 118.70 125.20 2jbz s GLU 42 Ca 0.00 0.53 -0.31 0.00 0.01 0.00 0.00 54.97 55.20 2jbz s GLU 42 Cb 0.00 -2.14 -0.07 0.00 -4.31 0.00 0.00 34.13 27.61 2jbz s GLU 42 CO 0.00 -0.59 1.37 1.03 0.01 0.00 0.00 175.26 177.08 2jbz s ARG 43 N -5.11 4.32 0.34 1.61 1.81 -1.26 -0.18 118.95 120.48 2jbz s ARG 43 Ca 0.54 1.99 -0.29 0.00 -1.72 0.00 0.00 55.73 56.25 2jbz s ARG 43 Cb -0.11 -3.41 -0.11 0.00 -0.45 0.00 0.00 34.95 30.87 2jbz s ARG 43 CO 0.51 -0.48 1.51 -2.13 -0.68 0.00 0.00 175.30 174.03 2jbz n ARG 44 N 4.59 2.63 -1.86 3.54 0.63 0.68 -4.74 116.66 122.12 2jbz n ARG 44 Ca 0.12 0.93 -0.30 0.00 -0.92 0.00 0.00 57.85 57.68 2jbz n ARG 44 Cb 0.43 -2.66 0.06 0.00 0.45 0.00 0.00 32.46 30.74 2jbz n ARG 44 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2jbz s GLY 45 N 0.07 1.62 0.11 5.14 0.00 -1.26 -4.85 107.32 108.15 2jbz s GLY 45 Ca 0.57 -0.39 -0.22 0.00 0.00 0.00 0.00 44.72 44.69 2jbz s GLY 45 CO 0.58 0.01 1.72 -0.24 0.00 0.00 0.00 173.10 175.17 2jbz h VAL 46 N -0.76 0.88 -0.64 1.40 3.04 -1.98 -0.35 116.25 117.84 2jbz h VAL 46 Ca -0.45 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.26 2jbz h VAL 46 Cb 1.27 0.88 -0.04 0.00 -2.01 0.00 0.00 31.29 31.39 2jbz h VAL 46 CO 0.64 0.00 0.41 0.00 -1.01 0.00 0.00 177.57 177.61 2jbz h ALA 47 N 1.06 0.82 -0.72 3.17 0.00 -1.95 0.28 119.26 121.93 2jbz h ALA 47 Ca 0.05 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2jbz h ALA 47 Cb 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2jbz h ALA 47 CO -0.10 0.19 0.20 1.03 0.00 0.00 0.00 179.25 180.57 2jbz h SER 48 N 0.82 1.06 -0.51 0.00 0.87 -1.86 -1.45 113.55 112.48 2jbz h SER 48 Ca 0.25 -0.22 -0.11 0.00 -1.23 0.00 0.00 61.79 60.48 2jbz h SER 48 Cb -0.04 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.63 2jbz h SER 48 CO -0.08 1.01 -0.08 -0.07 -0.53 0.00 0.00 176.83 177.07 2jbz h LEU 49 N 1.07 0.98 -1.10 2.23 3.38 -0.46 -2.45 115.31 118.95 2jbz h LEU 49 Ca 0.23 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2jbz h LEU 49 Cb 0.34 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 2jbz h LEU 49 CO -0.00 1.08 0.61 0.00 0.09 0.00 0.00 178.44 180.22 2jbz h ALA 50 N 1.01 1.41 -0.39 1.53 0.00 -0.07 0.73 119.26 123.48 2jbz h ALA 50 Ca 0.14 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2jbz h ALA 50 Cb 0.63 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2jbz h ALA 50 CO 0.04 0.50 -0.10 0.00 0.00 0.00 0.00 179.25 179.69 2jbz h ALA 51 N 1.46 1.09 -0.24 0.00 0.00 -1.10 -0.59 119.26 119.88 2jbz h ALA 51 Ca 0.37 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 2jbz h ALA 51 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2jbz h ALA 51 CO -0.11 0.56 -0.46 0.00 0.00 0.00 0.00 179.25 179.24 2jbz h ARG 52 N 0.62 0.63 -0.40 0.00 3.08 -0.82 -0.41 114.38 117.08 2jbz h ARG 52 Ca 0.11 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 2jbz h ARG 52 Cb 0.54 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2jbz h ARG 52 CO 0.03 0.96 0.24 0.35 -1.07 0.00 0.00 179.97 180.48 2jbz h PHE 53 N 0.50 0.53 -0.85 3.04 3.57 -0.60 -1.23 116.94 121.90 2jbz h PHE 53 Ca 0.03 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.55 2jbz h PHE 53 Cb 1.00 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.52 2jbz h PHE 53 CO 0.05 0.38 0.56 0.00 -2.23 0.00 0.00 178.31 177.07 2jbz h ALA 54 N 1.10 1.45 -0.68 2.41 0.00 -0.96 -0.53 119.26 122.04 2jbz h ALA 54 Ca 0.14 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2jbz h ALA 54 Cb 0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 2jbz h ALA 54 CO -0.03 0.48 0.23 0.00 0.00 0.00 0.00 179.25 179.94 2jbz h ALA 55 N 1.49 0.89 -0.21 0.00 0.00 -0.32 0.11 119.26 121.22 2jbz h ALA 55 Ca 0.33 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 2jbz h ALA 55 Cb -0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2jbz h ALA 55 CO -0.09 0.55 -0.52 0.87 0.00 0.00 0.00 179.25 180.06 2jbz h LYS 56 N 0.98 0.59 -0.11 0.00 1.57 -0.36 0.66 116.57 119.91 2jbz h LYS 56 Ca 0.22 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2jbz h LYS 56 Cb 0.27 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2jbz h LYS 56 CO -0.01 0.97 0.05 0.93 -0.57 0.00 0.00 179.45 180.82 2jbz h GLU 57 N 0.46 0.17 -0.88 3.15 4.39 -0.82 -1.10 114.58 119.95 2jbz h GLU 57 Ca 0.02 -0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.77 2jbz h GLU 57 Cb 1.06 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.62 2jbz h GLU 57 CO 0.10 0.26 0.53 0.00 -1.16 0.00 0.00 179.01 178.74 2jbz h ALA 58 N 0.90 1.24 -0.10 3.43 0.00 -0.64 -0.65 119.26 123.43 2jbz h ALA 58 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2jbz h ALA 58 Cb 0.15 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2jbz h ALA 58 CO -0.00 0.22 0.04 1.25 0.00 0.00 0.00 179.25 180.75 2jbz h LEU 59 N 0.92 0.14 -0.47 0.00 5.85 -0.69 -0.35 115.31 120.73 2jbz h LEU 59 Ca 0.40 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 59.05 2jbz h LEU 59 Cb 0.28 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.19 2jbz h LEU 59 CO -0.21 0.27 -0.04 0.00 -0.34 0.00 0.00 178.44 178.12 2jbz h ALA 60 N 0.88 0.39 -0.85 1.25 0.00 -0.92 -1.63 119.26 118.39 2jbz h ALA 60 Ca 0.03 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.14 2jbz h ALA 60 Cb 0.17 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2jbz h ALA 60 CO -0.00 -0.41 0.55 0.87 0.00 0.00 0.00 179.25 180.25 2jbz h LYS 61 N 0.07 1.01 -0.04 0.00 1.57 -0.70 0.26 116.57 118.75 2jbz h LYS 61 Ca 0.23 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 2jbz h LYS 61 Cb 0.35 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 2jbz h LYS 61 CO -0.42 0.67 0.03 0.00 -0.57 0.00 0.00 179.45 179.16 2jbz h ALA 62 N 1.37 1.87 -0.38 3.86 0.00 -0.16 -1.23 119.26 124.58 2jbz h ALA 62 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2jbz h ALA 62 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jbz h ALA 62 CO -0.13 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.35 2jbz n LEU 63 N -4.28 3.18 -0.08 0.00 4.77 -0.44 -4.25 117.00 115.90 2jbz n LEU 63 Ca -0.02 -1.39 -0.01 0.00 -0.03 0.00 0.00 56.01 54.56 2jbz n LEU 63 Cb 0.13 -0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2jbz n LEU 63 CO 0.32 0.69 -0.01 0.61 -1.33 0.00 0.00 177.39 177.67 2jbz n GLY 64 N 1.45 0.49 4.09 -0.72 0.00 -0.46 -4.50 105.19 105.54 2jbz n GLY 64 Ca 0.19 -0.53 -0.47 0.00 0.00 0.00 0.00 46.02 45.21 2jbz n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jbz n ALA 65 N 1.02 -2.62 -1.66 4.61 0.00 0.78 -4.93 120.51 117.70 2jbz n ALA 65 Ca -0.01 -0.60 -0.31 0.00 0.00 0.00 0.00 53.44 52.53 2jbz n ALA 65 Cb 0.05 -2.49 0.05 0.00 0.00 0.00 0.00 19.45 17.07 2jbz n ALA 65 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jbz s PRO 66 N -7.44 2.89 0.77 0.00 0.04 -1.26 -5.02 135.00 124.97 2jbz s PRO 66 Ca 0.48 0.80 -0.13 0.00 0.04 0.00 0.00 61.00 62.19 2jbz s PRO 66 Cb -0.27 -2.00 0.06 0.00 0.04 0.00 0.00 34.50 32.33 2jbz s PRO 66 CO 0.98 -1.09 1.16 0.00 0.04 0.00 0.00 177.00 178.08 2jbz s ALA 67 N -3.13 2.06 0.00 8.56 0.00 -1.26 -4.16 121.76 123.83 2jbz s ALA 67 Ca 0.58 0.66 0.00 0.00 0.00 0.00 0.00 51.96 53.20 2jbz s ALA 67 Cb -0.13 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2jbz s ALA 67 CO 0.54 -1.95 0.00 0.41 0.00 0.00 0.00 175.76 174.76 2jbz n GLY 68 N -0.07 0.76 3.80 0.00 0.00 -1.26 -5.05 105.19 103.36 2jbz n GLY 68 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2jbz n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jbz s LEU 69 N 0.00 4.53 -0.12 0.99 1.43 -1.26 -4.89 118.68 119.36 2jbz s LEU 69 Ca 0.00 1.35 -0.09 0.00 -1.03 0.00 0.00 54.13 54.36 2jbz s LEU 69 Cb 0.00 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 2jbz s LEU 69 CO 0.00 0.24 0.18 -0.76 0.23 0.00 0.00 176.35 176.24 2jbz s LEU 70 N -0.99 4.37 0.38 1.79 1.43 -1.26 -4.99 118.68 119.40 2jbz s LEU 70 Ca 0.31 0.50 0.07 0.00 -1.03 0.00 0.00 54.13 53.98 2jbz s LEU 70 Cb -0.20 -2.15 0.80 0.00 0.03 0.00 0.00 46.19 44.67 2jbz s LEU 70 CO 0.21 0.35 1.98 -0.50 0.23 0.00 0.00 176.35 178.61 2jbz h TRP 71 N 5.29 0.68 0.00 0.29 4.06 -1.88 -2.04 115.95 122.34 2jbz h TRP 71 Ca -0.52 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.45 2jbz h TRP 71 Cb 1.21 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 29.15 2jbz h TRP 71 CO 0.72 0.36 0.00 0.25 -3.56 0.00 0.00 178.44 176.21 2jbz n THR 72 N -4.48 0.01 0.76 1.49 -2.24 -1.26 -2.48 114.28 106.08 2jbz n THR 72 Ca 0.09 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.00 2jbz n THR 72 Cb 0.22 -0.54 0.20 0.00 -2.10 0.00 0.00 70.33 68.12 2jbz n THR 72 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jbz n ASP 73 N -1.03 2.99 -4.26 3.42 8.00 -0.77 -4.79 116.55 120.11 2jbz n ASP 73 Ca 0.21 -1.94 -0.31 0.00 0.71 0.00 0.00 54.79 53.46 2jbz n ASP 73 Cb 0.12 -0.11 -0.16 0.00 -0.02 0.00 0.00 41.12 40.94 2jbz n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jbz s ALA 74 N -1.77 2.11 -0.06 2.24 0.00 -1.04 -0.99 121.76 122.25 2jbz s ALA 74 Ca 0.34 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.28 2jbz s ALA 74 Cb 0.21 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.70 2jbz s ALA 74 CO 0.31 0.41 -0.05 -2.00 0.00 0.00 0.00 175.76 174.43 2jbz s GLU 75 N -0.15 0.95 -0.23 0.00 2.12 0.50 -4.88 118.70 117.01 2jbz s GLU 75 Ca -0.03 -0.11 -0.17 0.00 0.36 0.00 0.00 54.97 55.01 2jbz s GLU 75 Cb -0.14 -1.00 -0.03 0.00 0.26 0.00 0.00 34.13 33.23 2jbz s GLU 75 CO 0.04 -0.13 0.47 0.08 -0.54 0.00 0.00 175.26 175.18 2jbz s VAL 76 N 1.16 5.12 0.49 3.70 1.01 -1.26 -0.83 120.40 129.79 2jbz s VAL 76 Ca -0.07 0.82 0.02 0.00 0.00 0.00 0.00 61.98 62.75 2jbz s VAL 76 Cb -0.14 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 2jbz s VAL 76 CO -0.01 0.16 0.02 -1.66 0.00 0.00 0.00 175.10 173.61 2jbz s TRP 77 N 1.86 1.86 -0.04 5.22 1.48 -0.13 -4.71 118.94 124.47 2jbz s TRP 77 Ca 0.21 -1.01 -0.01 0.00 -1.06 0.00 0.00 56.10 54.23 2jbz s TRP 77 Cb -0.15 -1.54 0.03 0.00 -1.16 0.00 0.00 33.47 30.65 2jbz s TRP 77 CO 0.09 0.14 0.01 0.08 -4.06 0.00 0.00 176.95 173.22 2jbz s VAL 78 N -2.93 0.18 0.75 -0.66 1.01 -1.26 -0.42 120.40 117.07 2jbz s VAL 78 Ca 0.09 0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.10 2jbz s VAL 78 Cb 0.02 -0.33 0.05 0.00 0.00 0.00 0.00 36.38 36.12 2jbz s VAL 78 CO 0.05 0.19 1.16 -1.61 0.00 0.00 0.00 175.10 174.89 2jbz s GLU 79 N 1.54 2.11 0.29 2.72 2.02 -0.20 -4.87 118.70 122.30 2jbz s GLU 79 Ca -0.02 1.59 0.02 0.00 0.02 0.00 0.00 54.97 56.57 2jbz s GLU 79 Cb -0.13 -1.85 0.71 0.00 0.10 0.00 0.00 34.13 32.96 2jbz s GLU 79 CO -0.03 -1.82 1.65 0.00 0.02 0.00 0.00 175.26 175.08 2jbz h ALA 80 N -0.57 1.28 0.00 5.21 0.00 -2.01 0.25 119.26 123.42 2jbz h ALA 80 Ca -0.46 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2jbz h ALA 80 Cb 1.27 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2jbz h ALA 80 CO 0.49 -0.47 0.00 0.78 0.00 0.00 0.00 179.25 180.06 2jbz h GLY 81 N 0.21 0.00 0.00 0.00 0.00 -2.06 -3.46 103.07 97.77 2jbz h GLY 81 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.88 2jbz h GLY 81 CO -0.65 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.50 2jbz n GLY 82 N -0.16 0.90 3.70 4.60 0.00 0.87 -5.08 105.19 110.03 2jbz n GLY 82 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2jbz n GLY 82 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jbz s ARG 83 N -0.37 4.38 0.50 1.61 3.52 -1.26 -4.67 118.95 122.66 2jbz s ARG 83 Ca 0.00 1.78 -0.21 0.00 -0.13 0.00 0.00 55.73 57.17 2jbz s ARG 83 Cb 0.00 -3.45 -0.06 0.00 -1.56 0.00 0.00 34.95 29.88 2jbz s ARG 83 CO 0.00 -0.38 1.18 -1.25 -0.81 0.00 0.00 175.30 174.04 2jbz s PRO 84 N 1.66 3.52 0.03 5.12 0.04 -1.26 -1.03 135.00 143.08 2jbz s PRO 84 Ca 0.59 1.77 -0.00 0.00 0.04 0.00 0.00 61.00 63.40 2jbz s PRO 84 Cb -0.28 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 2jbz s PRO 84 CO 0.26 -0.75 -0.03 1.03 0.04 0.00 0.00 177.00 177.55 2jbz s ARG 85 N -2.94 0.42 -0.12 4.56 1.81 0.44 -4.73 118.95 118.40 2jbz s ARG 85 Ca 0.68 -0.80 -0.04 0.00 -1.72 0.00 0.00 55.73 53.86 2jbz s ARG 85 Cb -0.28 0.10 -0.03 0.00 -0.45 0.00 0.00 34.95 34.28 2jbz s ARG 85 CO 0.33 -0.06 0.02 -0.51 -0.68 0.00 0.00 175.30 174.41 2jbz s LEU 86 N -1.88 3.64 -0.09 2.53 1.43 -1.26 -0.95 118.68 122.09 2jbz s LEU 86 Ca -0.09 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 2jbz s LEU 86 Cb -0.05 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.32 2jbz s LEU 86 CO -0.03 0.31 -0.14 -0.60 0.23 0.00 0.00 176.35 176.11 2jbz s ARG 87 N -0.47 2.04 -0.01 1.70 3.52 -0.01 -4.90 118.95 120.81 2jbz s ARG 87 Ca 0.09 -0.51 0.08 0.00 -0.13 0.00 0.00 55.73 55.25 2jbz s ARG 87 Cb -0.12 -1.70 -0.02 0.00 -1.56 0.00 0.00 34.95 31.55 2jbz s ARG 87 CO 0.02 -0.01 -0.24 0.14 -0.81 0.00 0.00 175.30 174.40 2jbz s VAL 88 N 0.82 2.24 0.33 7.11 -7.23 -1.26 -0.37 120.40 122.03 2jbz s VAL 88 Ca -0.11 -1.10 0.04 0.00 -1.81 0.00 0.00 61.98 59.00 2jbz s VAL 88 Cb -0.15 -1.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 2jbz s VAL 88 CO 0.02 0.54 0.18 0.42 -0.31 0.00 0.00 175.10 175.94 2jbz s THR 89 N -0.67 0.31 0.00 5.32 -4.23 -0.16 -4.61 115.64 111.59 2jbz s THR 89 Ca 0.11 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 2jbz s THR 89 Cb -0.10 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.26 2jbz s THR 89 CO -0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2jbz n GLY 90 N -0.64 2.81 0.24 3.99 0.00 -1.26 -1.41 105.19 108.92 2jbz n GLY 90 Ca 0.01 0.21 -0.08 0.00 0.00 0.00 0.00 46.02 46.16 2jbz n GLY 90 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jbz h THR 91 N 0.00 1.23 -0.26 2.61 1.35 -1.90 0.13 112.91 116.08 2jbz h THR 91 Ca 0.00 -0.80 -0.04 0.00 -0.55 0.00 0.00 66.41 65.02 2jbz h THR 91 Cb 0.00 0.77 -0.01 0.00 -1.73 0.00 0.00 68.15 67.18 2jbz h THR 91 CO 0.00 0.29 0.00 0.58 -0.25 0.00 0.00 175.52 176.14 2jbz h VAL 92 N 0.71 1.26 -0.87 6.82 2.07 -1.65 -1.58 116.25 123.01 2jbz h VAL 92 Ca 0.17 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 2jbz h VAL 92 Cb 0.29 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 2jbz h VAL 92 CO -0.00 0.29 0.47 0.00 0.02 0.00 0.00 177.57 178.34 2jbz h ALA 93 N 0.82 1.11 -0.68 1.67 0.00 -1.01 0.77 119.26 121.94 2jbz h ALA 93 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jbz h ALA 93 Cb 0.42 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2jbz h ALA 93 CO 0.01 0.62 0.43 0.00 0.00 0.00 0.00 179.25 180.32 2jbz h ALA 94 N 1.25 0.87 -0.61 0.00 0.00 -0.49 0.52 119.26 120.81 2jbz h ALA 94 Ca 0.30 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2jbz h ALA 94 Cb 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2jbz h ALA 94 CO -0.05 0.31 0.02 -0.09 0.00 0.00 0.00 179.25 179.44 2jbz h ARG 95 N 0.93 1.07 -0.96 0.00 9.65 -0.96 -1.75 114.38 122.36 2jbz h ARG 95 Ca 0.25 -0.33 0.02 0.00 -1.10 0.00 0.00 59.98 58.82 2jbz h ARG 95 Cb -0.07 -0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 28.36 2jbz h ARG 95 CO -0.05 1.04 0.63 0.00 2.80 0.00 0.00 179.97 184.39 2jbz h ALA 96 N 0.99 1.34 -0.32 2.80 0.00 -0.27 -2.50 119.26 121.31 2jbz h ALA 96 Ca 0.18 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 2jbz h ALA 96 Cb 0.54 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jbz h ALA 96 CO 0.03 0.59 -0.36 0.00 0.00 0.00 0.00 179.25 179.50 2jbz h ALA 97 N 1.42 0.76 -0.92 0.00 0.00 -0.49 -0.31 119.26 119.70 2jbz h ALA 97 Ca 0.36 -0.43 0.17 0.00 0.00 0.00 0.00 54.91 55.01 2jbz h ALA 97 Cb -0.09 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.50 2jbz h ALA 97 CO -0.09 0.66 0.59 0.93 0.00 0.00 0.00 179.25 181.34 2jbz h GLU 98 N 0.61 0.63 -0.00 0.00 5.08 -0.89 -2.22 114.58 117.79 2jbz h GLU 98 Ca 0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2jbz h GLU 98 Cb 0.90 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2jbz h GLU 98 CO 0.08 0.42 -0.72 1.28 -1.00 0.00 0.00 179.01 179.06 2jbz n LEU 99 N -4.59 0.86 0.00 1.33 4.77 -0.92 -4.98 117.00 113.47 2jbz n LEU 99 Ca 0.19 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2jbz n LEU 99 Cb 0.54 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2jbz n LEU 99 CO 0.28 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2jbz n GLY 100 N 1.49 0.63 3.68 -0.72 0.00 -0.38 -5.01 105.19 104.87 2jbz n GLY 100 Ca 0.05 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 2jbz n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jbz s VAL 101 N -2.00 4.05 -0.17 1.61 1.01 -0.27 -4.34 120.40 120.29 2jbz s VAL 101 Ca 0.00 1.35 0.12 0.00 0.00 0.00 0.00 61.98 63.44 2jbz s VAL 101 Cb 0.00 -3.87 -0.18 0.00 0.00 0.00 0.00 36.38 32.33 2jbz s VAL 101 CO 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 175.10 175.06 2jbz n ALA 102 N 5.92 1.60 -2.74 5.51 0.00 0.58 -4.70 120.51 126.67 2jbz n ALA 102 Ca 0.13 -1.01 -0.17 0.00 0.00 0.00 0.00 53.44 52.39 2jbz n ALA 102 Cb 0.45 -0.06 -0.13 0.00 0.00 0.00 0.00 19.45 19.70 2jbz n ALA 102 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jbz s SER 103 N -5.14 1.02 -0.04 0.00 0.15 -0.36 -5.02 113.70 104.31 2jbz s SER 103 Ca -0.12 -0.32 0.07 0.00 0.70 0.00 0.00 55.95 56.29 2jbz s SER 103 Cb 0.05 -0.06 -0.01 0.00 -1.71 0.00 0.00 66.02 64.29 2jbz s SER 103 CO 0.61 -0.00 -0.25 0.26 1.20 0.00 0.00 173.24 175.06 2jbz s TRP 104 N -0.64 2.35 -0.10 3.44 0.52 -1.26 -1.11 118.94 122.13 2jbz s TRP 104 Ca -0.01 -0.60 0.01 0.00 0.02 0.00 0.00 56.10 55.53 2jbz s TRP 104 Cb -0.06 -1.53 0.02 0.00 -1.15 0.00 0.00 33.47 30.75 2jbz s TRP 104 CO 0.00 -0.14 -0.13 -1.01 0.02 0.00 0.00 176.95 175.69 2jbz s HIS 105 N -0.34 1.81 0.08 -1.98 3.76 -0.30 -4.80 115.29 113.52 2jbz s HIS 105 Ca 0.02 -0.84 0.04 0.00 -0.15 0.00 0.00 55.06 54.13 2jbz s HIS 105 Cb -0.12 -1.34 -0.03 0.00 1.11 0.00 0.00 32.58 32.20 2jbz s HIS 105 CO 0.02 -0.45 -0.11 0.54 -0.85 0.00 0.00 174.74 173.89 2jbz s VAL 106 N 1.05 0.91 0.01 -0.90 0.11 -1.26 -0.76 120.40 119.55 2jbz s VAL 106 Ca -0.06 -1.42 -0.03 0.00 -2.93 0.00 0.00 61.98 57.54 2jbz s VAL 106 Cb -0.15 -1.11 -0.01 0.00 -1.53 0.00 0.00 36.38 33.58 2jbz s VAL 106 CO -0.02 -0.42 0.05 -0.55 -3.33 0.00 0.00 175.10 170.83 2jbz s SER 107 N -2.05 0.11 0.08 3.54 0.15 -0.77 -4.86 113.70 109.90 2jbz s SER 107 Ca -0.00 -0.28 0.07 0.00 0.70 0.00 0.00 55.95 56.43 2jbz s SER 107 Cb -0.07 0.15 -0.03 0.00 -1.71 0.00 0.00 66.02 64.36 2jbz s SER 107 CO 0.01 -0.28 -0.18 -0.76 1.20 0.00 0.00 173.24 173.23 2jbz s LEU 108 N -1.18 2.27 -0.10 3.45 1.43 -1.26 -1.90 118.68 121.39 2jbz s LEU 108 Ca -0.13 -0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 52.26 2jbz s LEU 108 Cb -0.08 -0.73 0.03 0.00 0.03 0.00 0.00 46.19 45.45 2jbz s LEU 108 CO 0.00 0.01 0.25 -0.55 0.23 0.00 0.00 176.35 176.30 2jbz s SER 109 N -1.73 -0.27 -0.15 2.29 0.15 -0.50 -5.00 113.70 108.50 2jbz s SER 109 Ca 0.03 0.51 -0.04 0.00 0.70 0.00 0.00 55.95 57.15 2jbz s SER 109 Cb -0.10 0.49 0.06 0.00 -1.71 0.00 0.00 66.02 64.77 2jbz s SER 109 CO 0.03 -0.11 0.12 -1.38 1.20 0.00 0.00 173.24 173.10 2jbz s HIS 110 N 0.40 0.06 0.14 3.44 -3.43 -1.26 0.19 115.29 114.83 2jbz s HIS 110 Ca -0.02 -0.07 -0.18 0.00 -0.80 0.00 0.00 55.06 53.99 2jbz s HIS 110 Cb -0.04 -0.57 0.04 0.00 -1.43 0.00 0.00 32.58 30.59 2jbz s HIS 110 CO -0.02 -0.47 0.47 0.34 -2.00 0.00 0.00 174.74 173.06 2jbz s ASP 111 N 2.19 -0.33 -1.17 7.38 -1.08 -0.81 -4.94 116.67 117.91 2jbz s ASP 111 Ca 0.03 -0.25 -0.02 0.00 -0.52 0.00 0.00 52.55 51.79 2jbz s ASP 111 Cb -0.15 0.52 0.01 0.00 -1.46 0.00 0.00 42.92 41.84 2jbz s ASP 111 CO -0.09 -0.91 0.13 0.00 0.52 0.00 0.00 175.17 174.83 2jbz n ALA 112 N -0.28 -0.84 -0.97 3.66 0.00 -1.26 -1.28 120.51 119.53 2jbz n ALA 112 Ca -0.15 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2jbz n ALA 112 Cb 0.64 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.14 2jbz n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jbz n GLY 113 N -0.94 0.18 3.40 0.00 0.00 -1.26 -4.99 105.19 101.58 2jbz n GLY 113 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 2jbz n GLY 113 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jbz s ILE 114 N -1.38 2.65 -0.19 -0.61 -4.36 -0.41 -1.39 121.20 115.52 2jbz s ILE 114 Ca 0.00 -0.88 -0.09 0.00 -0.26 0.00 0.00 60.65 59.43 2jbz s ILE 114 Cb 0.00 -2.00 -0.05 0.00 1.25 0.00 0.00 42.46 41.66 2jbz s ILE 114 CO 0.00 0.58 0.09 0.00 0.24 0.00 0.00 174.94 175.86 2jbz s ALA 115 N -0.62 3.54 0.10 2.27 0.00 0.85 -1.93 121.76 125.97 2jbz s ALA 115 Ca 0.09 -0.72 0.09 0.00 0.00 0.00 0.00 51.96 51.42 2jbz s ALA 115 Cb -0.11 -2.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 2jbz s ALA 115 CO 0.00 0.17 -0.23 -1.12 0.00 0.00 0.00 175.76 174.58 2jbz s SER 116 N 0.37 2.80 0.00 0.00 0.01 0.13 -0.20 113.70 116.81 2jbz s SER 116 Ca 0.05 -0.69 -0.01 0.00 1.31 0.00 0.00 55.95 56.62 2jbz s SER 116 Cb -0.12 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 65.93 2jbz s SER 116 CO -0.01 0.12 0.02 0.00 0.41 0.00 0.00 173.24 173.77 2jbz s ALA 117 N -1.08 -0.02 -0.01 1.44 0.00 -0.31 -1.41 121.76 120.39 2jbz s ALA 117 Ca 0.09 -0.23 0.08 0.00 0.00 0.00 0.00 51.96 51.90 2jbz s ALA 117 Cb -0.10 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 2jbz s ALA 117 CO 0.04 -0.10 -0.25 0.54 0.00 0.00 0.00 175.76 176.00 2jbz s VAL 118 N -0.76 1.95 -0.02 0.00 0.11 -0.80 -1.72 120.40 119.16 2jbz s VAL 118 Ca -0.08 -1.10 0.02 0.00 -2.93 0.00 0.00 61.98 57.88 2jbz s VAL 118 Cb -0.05 -1.63 0.01 0.00 -1.53 0.00 0.00 36.38 33.18 2jbz s VAL 118 CO -0.00 0.50 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.52 2jbz s VAL 119 N -0.62 0.54 -0.06 2.04 1.01 -0.19 -1.85 120.40 121.28 2jbz s VAL 119 Ca 0.10 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.89 2jbz s VAL 119 Cb -0.09 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.78 2jbz s VAL 119 CO -0.00 0.18 -0.18 -0.63 0.00 0.00 0.00 175.10 174.47 2jbz s ILE 120 N 0.28 1.56 -0.16 2.22 1.01 0.06 -0.84 121.20 125.32 2jbz s ILE 120 Ca -0.03 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 2jbz s ILE 120 Cb -0.08 -1.35 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 2jbz s ILE 120 CO -0.00 0.45 0.00 0.00 0.00 0.00 0.00 174.94 175.39 2jbz s ALA 121 N 0.20 3.16 0.06 9.38 0.00 0.01 -1.15 121.76 133.42 2jbz s ALA 121 Ca -0.09 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.14 2jbz s ALA 121 Cb -0.14 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 2jbz s ALA 121 CO 0.04 0.22 -0.15 -2.00 0.00 0.00 0.00 175.76 173.87 2jbz s GLU 122 N 0.31 0.92 0.00 0.00 2.12 -0.27 -0.25 118.70 121.54 2jbz s GLU 122 Ca -0.01 -0.91 0.00 0.00 0.36 0.00 0.00 54.97 54.41 2jbz s GLU 122 Cb -0.13 -0.97 0.00 0.00 0.26 0.00 0.00 34.13 33.29 2jbz s GLU 122 CO 0.02 0.23 0.00 0.41 -0.54 0.00 0.00 175.26 175.38