#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jub n THR 2 N 0.00 0.00 0.01 0.00 5.66 -1.26 -4.87 114.28 113.82 2jub n THR 2 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 2jub n THR 2 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 2jub n THR 2 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 2jub h LEU 3 N 0.00 0.07 -0.06 1.09 5.85 -1.99 1.79 115.31 122.06 2jub h LEU 3 Ca 0.00 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2jub h LEU 3 Cb 0.00 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 2jub h LEU 3 CO 0.00 0.05 0.01 0.74 -0.34 0.00 0.00 178.44 178.89 2jub h THR 4 N 0.08 1.23 0.28 1.05 2.02 -1.92 -2.36 112.91 113.29 2jub h THR 4 Ca 0.02 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 2jub h THR 4 Cb -0.01 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 2jub h THR 4 CO -0.01 0.19 -0.14 0.28 0.37 0.00 0.00 175.52 176.22 2jub h SER 5 N -0.16 -0.32 -0.39 4.18 0.02 -1.83 -3.16 113.55 111.89 2jub h SER 5 Ca 0.02 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.77 2jub h SER 5 Cb 0.30 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2jub h SER 5 CO 0.00 0.16 0.07 -0.33 -1.14 0.00 0.00 176.83 175.60 2jub h GLU 6 N -1.00 0.64 -0.38 3.45 4.39 0.26 -2.87 114.58 119.07 2jub h GLU 6 Ca -0.04 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.47 2jub h GLU 6 Cb 0.46 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 2jub h GLU 6 CO 0.06 0.69 0.16 0.28 -1.16 0.00 0.00 179.01 179.05 2jub h VAL 7 N 0.49 1.19 -0.94 3.13 2.07 -1.43 -2.63 116.25 118.13 2jub h VAL 7 Ca 0.12 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.08 2jub h VAL 7 Cb 0.35 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 2jub h VAL 7 CO 0.01 0.20 0.62 0.40 0.02 0.00 0.00 177.57 178.82 2jub h ILE 8 N 0.48 1.24 -0.61 4.57 5.03 -1.57 -2.21 117.51 124.44 2jub h ILE 8 Ca 0.13 -0.45 0.01 0.00 -0.12 0.00 0.00 64.86 64.42 2jub h ILE 8 Cb 0.17 -0.14 -0.03 0.00 -3.03 0.00 0.00 36.82 33.79 2jub h ILE 8 CO -0.01 0.24 0.40 0.11 -0.68 0.00 0.00 178.15 178.21 2jub h LYS 9 N 1.28 0.79 -0.72 2.37 1.57 -1.24 -2.11 116.57 118.51 2jub h LYS 9 Ca 0.34 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 59.12 2jub h LYS 9 Cb -0.14 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 31.95 2jub h LYS 9 CO -0.07 0.52 0.48 0.00 -0.57 0.00 0.00 179.45 179.81 2jub h ALA 10 N 1.23 1.61 -3.25 3.86 0.00 -1.06 -3.39 119.26 118.25 2jub h ALA 10 Ca 0.23 -0.03 -0.50 0.00 0.00 0.00 0.00 54.91 54.60 2jub h ALA 10 Cb -0.08 -0.24 -0.36 0.00 0.00 0.00 0.00 17.79 17.11 2jub h ALA 10 CO -0.06 0.31 -0.80 -0.80 0.00 0.00 0.00 179.25 177.91 2jub s ASN 11 N -6.28 1.94 -0.39 0.00 0.02 -0.79 -4.81 114.94 104.63 2jub s ASN 11 Ca -0.10 -0.26 0.11 0.00 -1.02 0.00 0.00 52.86 51.59 2jub s ASN 11 Cb 0.19 -0.75 0.40 0.00 0.02 0.00 0.00 41.25 41.10 2jub s ASN 11 CO 0.77 -0.10 1.24 1.17 0.02 0.00 0.00 177.10 180.20 2jub n LYS 12 N 4.74 1.16 0.00 -0.60 4.81 -1.24 -4.59 118.16 122.45 2jub n LYS 12 Ca -0.14 -2.17 0.00 0.00 -0.87 0.00 0.00 58.31 55.13 2jub n LYS 12 Cb 0.50 -0.43 0.00 0.00 0.02 0.00 0.00 35.03 35.13 2jub n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jub n GLY 13 N -0.37 0.00 3.89 3.14 0.00 -1.26 -5.15 105.19 105.44 2jub n GLY 13 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2jub n GLY 13 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jub s ARG 14 N 0.00 2.78 0.14 1.61 1.70 -1.26 -4.98 118.95 118.94 2jub s ARG 14 Ca 0.00 0.29 -0.11 0.00 -0.47 0.00 0.00 55.73 55.44 2jub s ARG 14 Cb 0.00 -2.08 -0.06 0.00 -0.57 0.00 0.00 34.95 32.24 2jub s ARG 14 CO 0.00 -1.00 1.45 1.49 -1.08 0.00 0.00 175.30 176.16 2jub h GLU 15 N -0.56 0.92 0.00 3.89 4.57 -2.02 -3.47 114.58 117.91 2jub h GLU 15 Ca -0.45 -0.52 0.00 0.00 -1.18 0.00 0.00 59.36 57.21 2jub h GLU 15 Cb 1.26 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 2jub h GLU 15 CO 0.63 1.17 0.00 0.41 -1.18 0.00 0.00 179.01 180.04 2jub n GLY 16 N 0.22 0.85 0.68 1.92 0.00 -1.26 -5.04 105.19 102.56 2jub n GLY 16 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2jub n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jub n LYS 17 N 0.00 0.00 -3.82 1.61 5.02 -1.26 -4.65 118.16 115.06 2jub n LYS 17 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 2jub n LYS 17 Cb 0.00 -0.28 -0.08 0.00 -0.02 0.00 0.00 35.03 34.64 2jub n LYS 17 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2jub s PRO 18 N -1.34 4.11 -0.01 1.97 0.04 -1.19 -0.69 135.00 137.90 2jub s PRO 18 Ca 0.00 -0.26 0.04 0.00 0.04 0.00 0.00 61.00 60.82 2jub s PRO 18 Cb 0.00 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 2jub s PRO 18 CO 0.00 0.30 -0.10 1.41 0.04 0.00 0.00 177.00 178.65 2jub s MET 19 N 0.33 2.49 -0.19 4.56 1.75 -0.84 -4.87 119.30 122.53 2jub s MET 19 Ca 0.07 -0.74 -0.08 0.00 -1.25 0.00 0.00 55.69 53.69 2jub s MET 19 Cb -0.11 -2.44 -0.04 0.00 2.84 0.00 0.00 34.83 35.07 2jub s MET 19 CO -0.01 0.60 0.07 0.42 -0.65 0.00 0.00 175.02 175.45 2jub s ILE 20 N -0.92 4.84 -0.58 10.11 -1.09 -1.26 -2.70 121.20 129.59 2jub s ILE 20 Ca 0.15 -0.02 -0.15 0.00 -2.23 0.00 0.00 60.65 58.41 2jub s ILE 20 Cb -0.11 -3.19 0.14 0.00 -1.58 0.00 0.00 42.46 37.73 2jub s ILE 20 CO 0.05 0.45 0.53 -0.44 -1.23 0.00 0.00 174.94 174.31 2jub s SER 21 N 0.41 6.23 0.00 3.58 0.01 -1.13 -4.84 113.70 117.97 2jub s SER 21 Ca 0.04 -1.94 0.11 0.00 1.31 0.00 0.00 55.95 55.47 2jub s SER 21 Cb -0.12 -2.19 0.59 0.00 0.21 0.00 0.00 66.02 64.51 2jub s SER 21 CO 0.00 -0.80 1.17 0.00 0.41 0.00 0.00 173.24 174.02 2jub n LEU 22 N 5.03 0.00 -0.20 2.44 -0.00 -1.26 0.59 117.00 123.59 2jub n LEU 22 Ca -0.09 0.15 -0.06 0.00 -0.00 0.00 0.00 56.01 56.00 2jub n LEU 22 Cb 0.41 -0.15 0.03 0.00 -0.00 0.00 0.00 43.42 43.71 2jub n LEU 22 CO 0.50 -0.10 1.11 0.58 -0.00 0.00 0.00 177.39 179.49 2jub h VAL 23 N 0.00 1.15 0.00 1.47 2.07 -1.95 -3.27 116.25 115.71 2jub h VAL 23 Ca 0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2jub h VAL 23 Cb 0.05 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2jub h VAL 23 CO 0.00 0.14 0.00 -0.67 0.02 0.00 0.00 177.57 177.06 2jub n ASP 24 N -4.68 0.31 -0.02 0.57 -0.08 -0.97 -4.98 116.55 106.70 2jub n ASP 24 Ca 0.04 -0.64 -0.00 0.00 -1.51 0.00 0.00 54.79 52.68 2jub n ASP 24 Cb 0.02 0.44 -0.00 0.00 2.34 0.00 0.00 41.12 43.92 2jub n ASP 24 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jub n GLY 25 N 0.44 0.46 3.76 0.27 0.00 0.20 -4.99 105.19 105.31 2jub n GLY 25 Ca 0.00 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 2jub n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jub s GLU 26 N -0.47 4.70 -0.01 1.61 2.56 -1.17 -4.86 118.70 121.07 2jub s GLU 26 Ca 0.00 1.72 -0.23 0.00 0.00 0.00 0.00 54.97 56.46 2jub s GLU 26 Cb 0.00 -3.21 -0.05 0.00 2.00 0.00 0.00 34.13 32.87 2jub s GLU 26 CO 0.00 0.29 0.67 -1.21 -0.56 0.00 0.00 175.26 174.46 2jub s GLU 27 N -1.38 4.41 -0.62 4.30 2.02 -1.26 -2.85 118.70 123.31 2jub s GLU 27 Ca 0.44 0.87 0.06 0.00 0.02 0.00 0.00 54.97 56.35 2jub s GLU 27 Cb -0.30 -3.38 0.22 0.00 0.10 0.00 0.00 34.13 30.77 2jub s GLU 27 CO 0.38 0.26 0.63 -0.89 0.02 0.00 0.00 175.26 175.66 2jub n ILE 28 N 3.03 1.61 -1.89 -1.63 5.41 -1.10 -5.01 119.36 119.79 2jub n ILE 28 Ca -0.04 -4.88 -0.43 0.00 1.00 0.00 0.00 62.75 58.40 2jub n ILE 28 Cb 0.51 -2.08 -0.03 0.00 -0.71 0.00 0.00 39.64 37.33 2jub n ILE 28 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2jub s LYS 29 N -1.91 3.22 0.00 0.38 2.20 -1.26 -2.83 119.74 119.54 2jub s LYS 29 Ca 0.35 1.54 0.00 0.00 -0.36 0.00 0.00 55.97 57.50 2jub s LYS 29 Cb 0.09 -4.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.15 2jub s LYS 29 CO -0.08 -1.99 0.00 0.41 -0.36 0.00 0.00 175.35 173.33 2jub n GLY 30 N 5.53 0.81 2.99 5.54 0.00 -1.17 -4.97 105.19 113.92 2jub n GLY 30 Ca 0.25 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.08 2jub n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jub s THR 31 N -0.81 0.68 -0.32 2.61 2.01 0.13 -4.62 115.64 115.32 2jub s THR 31 Ca 0.00 -0.33 0.04 0.00 0.31 0.00 0.00 61.69 61.71 2jub s THR 31 Cb 0.00 -0.60 0.09 0.00 0.01 0.00 0.00 72.50 72.00 2jub s THR 31 CO 0.00 0.21 0.01 0.68 -0.69 0.00 0.00 174.62 174.83 2jub s VAL 32 N 0.08 2.24 -0.13 3.82 -7.23 -1.25 -1.98 120.40 115.94 2jub s VAL 32 Ca -0.01 -2.16 0.00 0.00 -1.81 0.00 0.00 61.98 58.00 2jub s VAL 32 Cb -0.06 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.30 2jub s VAL 32 CO 0.00 -0.46 0.00 -1.22 -0.31 0.00 0.00 175.10 173.11 2jub n TYR 33 N 4.30 -0.65 -3.47 2.82 4.01 -1.26 -4.84 117.16 118.06 2jub n TYR 33 Ca -0.01 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.36 2jub n TYR 33 Cb 0.42 -1.04 -0.06 0.00 -0.31 0.00 0.00 39.34 38.35 2jub n TYR 33 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2jub s LEU 34 N -1.59 4.35 0.00 7.72 2.96 -1.26 -3.85 118.68 127.02 2jub s LEU 34 Ca 0.00 0.78 0.00 0.00 -0.22 0.00 0.00 54.13 54.69 2jub s LEU 34 Cb 0.00 -2.54 0.00 0.00 0.50 0.00 0.00 46.19 44.15 2jub s LEU 34 CO 0.00 0.18 0.00 0.61 -1.32 0.00 0.00 176.35 175.82 2jub n GLY 35 N 2.65 1.38 1.97 7.98 0.00 -1.26 -4.99 105.19 112.91 2jub n GLY 35 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2jub n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jub n ASP 36 N 0.00 -0.00 0.00 1.61 5.75 -1.26 -5.06 116.55 117.59 2jub n ASP 36 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2jub n ASP 36 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2jub n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jub n GLY 37 N 1.56 0.00 3.45 6.12 0.00 -1.26 -5.06 105.19 110.00 2jub n GLY 37 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2jub n GLY 37 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2jub n TRP 38 N 0.00 -1.01 -3.69 1.61 4.27 -1.19 -4.25 117.44 113.18 2jub n TRP 38 Ca 0.00 0.31 -0.10 0.00 -3.89 0.00 0.00 57.50 53.82 2jub n TRP 38 Cb 0.00 -1.87 -0.10 0.00 -1.36 0.00 0.00 31.31 27.98 2jub n TRP 38 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2jub s SER 39 N -1.63 -0.59 0.34 -0.67 0.15 -1.22 -4.98 113.70 105.10 2jub s SER 39 Ca 0.63 1.02 -0.08 0.00 0.70 0.00 0.00 55.95 58.22 2jub s SER 39 Cb -0.31 0.92 0.02 0.00 -1.71 0.00 0.00 66.02 64.94 2jub s SER 39 CO 0.61 -0.20 0.56 0.00 1.20 0.00 0.00 173.24 175.42 2jub s ALA 40 N 1.22 0.21 0.16 5.45 0.00 -1.26 -1.81 121.76 125.73 2jub s ALA 40 Ca -0.08 -1.22 -0.23 0.00 0.00 0.00 0.00 51.96 50.44 2jub s ALA 40 Cb -0.07 1.01 0.07 0.00 0.00 0.00 0.00 23.12 24.13 2jub s ALA 40 CO -0.11 -0.85 0.59 -1.59 0.00 0.00 0.00 175.76 173.79 2jub s LYS 41 N -2.99 1.27 -0.35 0.00 -2.85 -0.84 -5.01 119.74 108.98 2jub s LYS 41 Ca 0.25 -0.48 -0.14 0.00 -1.00 0.00 0.00 55.97 54.60 2jub s LYS 41 Cb -0.02 0.58 -0.01 0.00 -2.06 0.00 0.00 37.83 36.32 2jub s LYS 41 CO 0.16 -0.55 0.27 0.15 0.10 0.00 0.00 175.35 175.48 2jub s LYS 42 N -3.75 3.45 0.00 1.78 -0.14 -1.26 -2.76 119.74 117.06 2jub s LYS 42 Ca 0.01 -0.64 0.23 0.00 -1.36 0.00 0.00 55.97 54.21 2jub s LYS 42 Cb -0.01 -3.83 0.12 0.00 -1.68 0.00 0.00 37.83 32.43 2jub s LYS 42 CO -0.13 -0.49 1.15 -3.47 -0.76 0.00 0.00 175.35 171.65 2jub n ASP 43 N 5.16 1.22 0.00 2.83 -0.08 -1.18 -5.04 116.55 119.47 2jub n ASP 43 Ca -0.12 -1.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.16 2jub n ASP 43 Cb 0.49 0.58 0.00 0.00 2.34 0.00 0.00 41.12 44.53 2jub n ASP 43 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jub n GLY 44 N 1.45 0.23 0.20 0.27 0.00 -1.26 -4.81 105.19 101.27 2jub n GLY 44 Ca 0.07 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.96 2jub n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jub n ALA 45 N -0.65 3.02 -3.04 4.61 0.00 -1.26 -4.81 120.51 118.38 2jub n ALA 45 Ca 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 53.44 52.78 2jub n ALA 45 Cb 0.00 -1.18 -0.17 0.00 0.00 0.00 0.00 19.45 18.10 2jub n ALA 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2jub s THR 46 N -2.52 1.75 -0.01 0.00 2.01 -1.26 -0.88 115.64 114.73 2jub s THR 46 Ca 0.25 -0.87 -0.09 0.00 0.31 0.00 0.00 61.69 61.28 2jub s THR 46 Cb 0.19 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 2jub s THR 46 CO 0.52 0.49 0.30 -0.63 -0.69 0.00 0.00 174.62 174.61 2jub s ILE 47 N 0.17 5.24 -0.23 1.82 -1.09 -0.76 -3.11 121.20 123.23 2jub s ILE 47 Ca -0.10 0.40 -0.05 0.00 -2.23 0.00 0.00 60.65 58.66 2jub s ILE 47 Cb -0.15 -3.58 -0.02 0.00 -1.58 0.00 0.00 42.46 37.13 2jub s ILE 47 CO 0.05 0.46 0.01 -0.69 -1.23 0.00 0.00 174.94 173.54 2jub s VAL 48 N -1.21 3.81 0.02 2.92 1.01 -1.11 -2.66 120.40 123.18 2jub s VAL 48 Ca 0.25 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.92 2jub s VAL 48 Cb -0.14 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 2jub s VAL 48 CO 0.13 0.38 -0.12 -0.63 0.00 0.00 0.00 175.10 174.87 2jub s ILE 49 N 1.54 0.91 -0.18 2.22 1.01 -0.84 -1.98 121.20 123.88 2jub s ILE 49 Ca 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.92 2jub s ILE 49 Cb -0.15 -0.82 0.01 0.00 0.01 0.00 0.00 42.46 41.51 2jub s ILE 49 CO -0.00 0.03 -0.17 -0.44 0.00 0.00 0.00 174.94 174.36 2jub s SER 50 N -0.86 3.38 0.00 3.58 0.01 -0.75 -1.06 113.70 118.00 2jub s SER 50 Ca 0.01 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.68 2jub s SER 50 Cb -0.07 -1.53 0.00 0.00 0.21 0.00 0.00 66.02 64.63 2jub s SER 50 CO 0.01 0.01 0.08 -2.65 0.41 0.00 0.00 173.24 171.09 2jub n PRO 51 N 4.56 0.00 -0.12 12.44 -0.02 -1.26 -3.43 135.00 147.17 2jub n PRO 51 Ca -0.20 0.08 -0.15 0.00 -2.02 0.00 0.00 63.50 61.20 2jub n PRO 51 Cb 0.50 -0.41 -0.13 0.00 -0.02 0.00 0.00 33.50 33.44 2jub n PRO 51 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jub n ALA 52 N -1.73 1.46 -3.00 3.55 0.00 -1.26 -3.68 120.51 115.85 2jub n ALA 52 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.26 2jub n ALA 52 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.32 2jub n ALA 52 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jub n GLU 53 N -3.09 0.00 -3.25 0.00 -0.58 -1.26 -3.14 120.64 109.32 2jub n GLU 53 Ca -0.41 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.36 2jub n GLU 53 Cb 1.05 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.88 2jub n GLU 53 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2jub s GLU 54 N 0.04 0.17 -0.28 3.49 -6.30 -1.26 -4.81 118.70 109.74 2jub s GLU 54 Ca 0.00 0.38 0.14 0.00 -2.50 0.00 0.00 54.97 52.99 2jub s GLU 54 Cb 0.00 0.23 0.48 0.00 0.00 0.00 0.00 34.13 34.84 2jub s GLU 54 CO 0.00 -0.09 1.15 0.25 0.02 0.00 0.00 175.26 176.59 2jub n THR 55 N 4.97 1.96 0.00 -1.70 -2.24 -1.26 -4.94 114.28 111.06 2jub n THR 55 Ca -0.08 -3.66 0.00 0.00 -2.27 0.00 0.00 64.05 58.05 2jub n THR 55 Cb 0.54 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 2jub n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jub n ALA 56 N -0.64 0.00 1.46 6.98 0.00 -1.26 -4.59 120.51 122.46 2jub n ALA 56 Ca 0.27 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.85 2jub n ALA 56 Cb 0.89 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.84 2jub n ALA 56 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jub n LEU 57 N 0.00 1.43 0.00 0.00 4.32 -1.26 -4.88 117.00 116.61 2jub n LEU 57 Ca 0.00 -0.46 0.00 0.00 -0.02 0.00 0.00 56.01 55.53 2jub n LEU 57 Cb 0.00 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 2jub n LEU 57 CO 0.00 0.24 0.00 0.49 -1.22 0.00 0.00 177.39 176.90 2jub n PHE 58 N 0.05 0.00 -4.06 -1.77 3.01 -1.26 -5.17 117.46 108.26 2jub n PHE 58 Ca 0.18 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.57 2jub n PHE 58 Cb 0.35 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.72 2jub n PHE 58 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 2jub s LYS 59 N 1.28 0.58 0.76 -1.08 -2.85 -1.26 -4.88 119.74 112.29 2jub s LYS 59 Ca 0.00 -1.10 -0.07 0.00 -1.00 0.00 0.00 55.97 53.80 2jub s LYS 59 Cb 0.00 0.20 0.11 0.00 -2.06 0.00 0.00 37.83 36.08 2jub s LYS 59 CO 0.00 -0.11 1.07 0.00 0.10 0.00 0.00 175.35 176.41 2jub s ALA 60 N -3.51 3.11 -0.05 0.59 0.00 -1.26 -4.75 121.76 115.88 2jub s ALA 60 Ca 0.03 -1.20 -0.02 0.00 0.00 0.00 0.00 51.96 50.77 2jub s ALA 60 Cb 0.05 -2.48 0.03 0.00 0.00 0.00 0.00 23.12 20.72 2jub s ALA 60 CO -0.09 -1.58 0.05 0.21 0.00 0.00 0.00 175.76 174.35 2jub s LYS 61 N -5.35 0.08 0.74 0.00 2.20 -0.22 -5.00 119.74 112.19 2jub s LYS 61 Ca 0.65 0.32 -0.08 0.00 -0.36 0.00 0.00 55.97 56.50 2jub s LYS 61 Cb -0.08 -0.61 0.08 0.00 -1.51 0.00 0.00 37.83 35.71 2jub s LYS 61 CO 0.46 -0.32 1.06 -1.01 -0.36 0.00 0.00 175.35 175.18 2jub s HIS 62 N 2.12 2.70 -0.30 4.03 3.76 -1.26 -1.99 115.29 124.34 2jub s HIS 62 Ca 0.05 0.41 -0.10 0.00 -0.15 0.00 0.00 55.06 55.27 2jub s HIS 62 Cb -0.12 -3.31 0.14 0.00 1.11 0.00 0.00 32.58 30.41 2jub s HIS 62 CO -0.04 -1.59 0.70 0.42 -0.85 0.00 0.00 174.74 173.38 2jub s ILE 63 N -3.34 -0.92 0.75 0.60 1.01 -1.09 -4.90 121.20 113.32 2jub s ILE 63 Ca 0.62 0.00 -0.15 0.00 0.00 0.00 0.00 60.65 61.12 2jub s ILE 63 Cb -0.10 -1.00 0.05 0.00 0.01 0.00 0.00 42.46 41.42 2jub s ILE 63 CO 0.46 0.00 1.24 -0.44 0.00 0.00 0.00 174.94 176.20 2jub s SER 64 N 2.83 3.92 0.23 3.58 0.01 -1.26 -1.83 113.70 121.17 2jub s SER 64 Ca -0.03 2.46 -0.07 0.00 1.31 0.00 0.00 55.95 59.63 2jub s SER 64 Cb -0.11 -2.60 0.35 0.00 0.21 0.00 0.00 66.02 63.87 2jub s SER 64 CO -0.19 -2.45 1.76 0.00 0.41 0.00 0.00 173.24 172.77 2jub h ALA 65 N -0.41 0.97 -0.73 1.44 0.00 -1.37 0.34 119.26 119.49 2jub h ALA 65 Ca -0.48 0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.61 2jub h ALA 65 Cb 1.31 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 2jub h ALA 65 CO 0.48 -0.10 0.34 0.00 0.00 0.00 0.00 179.25 179.98 2jub h ALA 66 N 1.45 1.02 0.00 0.00 0.00 -1.89 0.43 119.26 120.27 2jub h ALA 66 Ca 0.36 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 2jub h ALA 66 Cb 0.42 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2jub h ALA 66 CO -0.30 -0.10 -0.14 0.45 0.00 0.00 0.00 179.25 179.16 2jub h HIS 67 N 0.55 0.00 -0.30 0.00 -0.00 -1.29 -0.33 115.15 113.78 2jub h HIS 67 Ca 0.37 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.75 2jub h HIS 67 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.85 2jub h HIS 67 CO -0.12 0.14 0.20 1.25 -0.00 0.00 0.00 177.93 179.39 2jub h LEU 68 N 0.00 0.33 -1.03 2.43 7.12 0.86 0.26 115.31 125.28 2jub h LEU 68 Ca -0.00 -0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.01 2jub h LEU 68 Cb 0.30 -0.08 -0.05 0.00 -0.53 0.00 0.00 40.66 40.30 2jub h LEU 68 CO 0.02 0.24 0.65 0.11 -0.13 0.00 0.00 178.44 179.33 2jub h LYS 69 N 0.39 1.29 -0.58 1.25 1.57 -0.82 -1.26 116.57 118.43 2jub h LYS 69 Ca 0.11 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2jub h LYS 69 Cb -0.03 -0.29 -0.03 0.00 0.08 0.00 0.00 32.23 31.95 2jub h LYS 69 CO -0.02 0.86 0.38 0.82 -0.57 0.00 0.00 179.45 180.91 2jub h ILE 70 N 1.33 1.03 -0.99 1.86 2.04 -0.98 -1.44 117.51 120.36 2jub h ILE 70 Ca 0.36 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 66.03 2jub h ILE 70 Cb -0.15 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.26 2jub h ILE 70 CO -0.08 0.11 0.66 0.40 0.00 0.00 0.00 178.15 179.24 2jub h ILE 71 N 0.61 1.26 0.00 -0.67 2.04 -1.17 -1.54 117.51 118.03 2jub h ILE 71 Ca 0.24 -0.47 -0.14 0.00 1.00 0.00 0.00 64.86 65.49 2jub h ILE 71 Cb 0.19 -0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.05 2jub h ILE 71 CO -0.07 0.25 -0.68 0.00 0.00 0.00 0.00 178.15 177.65 2jub h ALA 72 N 1.36 0.76 0.27 1.87 0.00 -1.29 -3.18 119.26 119.05 2jub h ALA 72 Ca 0.36 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2jub h ALA 72 Cb -0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2jub h ALA 72 CO -0.08 0.85 -0.13 -0.22 0.00 0.00 0.00 179.25 179.67 2jub h LYS 73 N 0.00 -0.35 -0.09 0.00 3.11 -0.62 -2.25 116.57 116.37 2jub h LYS 73 Ca -0.01 0.02 0.02 0.00 -2.81 0.00 0.00 60.65 57.88 2jub h LYS 73 Cb 1.29 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 32.58 2jub h LYS 73 CO 0.09 0.01 -0.03 -0.97 -2.81 0.00 0.00 179.45 175.74 2jub h ASN 74 N -0.85 -0.10 -0.48 4.20 -0.00 -1.42 -2.85 115.58 114.09 2jub h ASN 74 Ca -0.04 0.03 -0.13 0.00 -0.00 0.00 0.00 56.30 56.16 2jub h ASN 74 Cb 0.51 0.06 -0.01 0.00 -0.00 0.00 0.00 38.32 38.88 2jub h ASN 74 CO 0.06 -0.04 -0.21 -0.07 -0.00 0.00 0.00 177.43 177.17 2jub h LEU 75 N -0.01 1.02 0.00 0.34 4.07 -1.67 -3.46 115.31 115.61 2jub h LEU 75 Ca 0.05 -0.38 0.00 0.00 0.08 0.00 0.00 57.88 57.62 2jub h LEU 75 Cb 0.08 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.53 2jub h LEU 75 CO -0.10 1.19 0.00 0.00 -1.08 0.00 0.00 178.44 178.45