#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 -0.15 0.00 5.66 -1.26 -4.91 114.28 113.62 2jub n THR 2 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 2jub n THR 2 Cb 0.00 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.79 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 0.53 0.09 1.09 5.85 -1.97 0.47 115.31 121.37 2jub h LEU 3 Ca 0.00 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 2jub h LEU 3 Cb 0.00 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.90 2jub h LEU 3 CO 0.00 0.39 -0.04 0.74 -0.34 0.00 0.00 178.44 179.19 2jub h THR 4 N 0.62 1.14 0.25 1.05 2.02 -1.91 -3.00 112.91 113.08 2jub h THR 4 Ca 0.17 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 2jub h THR 4 Cb -0.06 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2jub h THR 4 CO -0.04 0.25 -0.12 -1.28 0.37 0.00 0.00 175.52 174.70 2jub h SER 5 N -0.63 -0.29 -0.71 4.18 0.87 -1.88 -3.04 113.55 112.05 2jub h SER 5 Ca -0.01 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.33 2jub h SER 5 Cb 0.51 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 2jub h SER 5 CO 0.02 0.21 0.20 -0.33 -0.53 0.00 0.00 176.83 176.40 2jub h GLU 6 N -1.01 1.12 -0.07 2.24 5.08 -0.24 -2.64 114.58 119.06 2jub h GLU 6 Ca -0.03 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 2jub h GLU 6 Cb 0.42 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2jub h GLU 6 CO 0.06 0.98 -0.09 0.28 -1.00 0.00 0.00 179.01 179.23 2jub h VAL 7 N 1.06 1.38 -0.36 3.13 2.07 -1.48 -3.08 116.25 118.97 2jub h VAL 7 Ca 0.23 -1.30 -0.10 0.00 0.82 0.00 0.00 66.70 66.35 2jub h VAL 7 Cb 0.34 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 2jub h VAL 7 CO -0.00 0.36 -0.16 0.40 0.02 0.00 0.00 177.57 178.18 2jub h ILE 8 N -0.26 1.28 -0.82 4.57 2.04 -1.58 -3.00 117.51 119.74 2jub h ILE 8 Ca 0.01 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.59 2jub h ILE 8 Cb 0.63 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 2jub h ILE 8 CO 0.02 0.42 0.53 0.11 0.00 0.00 0.00 178.15 179.23 2jub h LYS 9 N 0.54 1.09 -0.93 2.37 1.57 -1.57 -2.30 116.57 117.34 2jub h LYS 9 Ca 0.08 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2jub h LYS 9 Cb 0.70 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 2jub h LYS 9 CO 0.05 0.74 0.59 0.00 -0.57 0.00 0.00 179.45 180.26 2jub h ALA 10 N 1.29 1.18 -3.23 3.86 0.00 -1.49 -3.40 119.26 117.47 2jub h ALA 10 Ca 0.30 -0.09 -0.58 0.00 0.00 0.00 0.00 54.91 54.54 2jub h ALA 10 Cb -0.10 -0.38 -0.35 0.00 0.00 0.00 0.00 17.79 16.96 2jub h ALA 10 CO -0.06 0.62 -0.83 -0.80 0.00 0.00 0.00 179.25 178.17 2jub s ASN 11 N -6.11 2.47 -0.47 0.00 0.02 -0.87 -5.05 114.94 104.93 2jub s ASN 11 Ca -0.13 -0.43 0.06 0.00 -1.02 0.00 0.00 52.86 51.34 2jub s ASN 11 Cb 0.17 -1.09 0.22 0.00 0.02 0.00 0.00 41.25 40.57 2jub s ASN 11 CO 0.82 -0.01 0.71 1.17 0.02 0.00 0.00 177.10 179.81 2jub n LYS 12 N 4.38 0.62 0.00 -0.60 4.81 -1.24 -4.56 118.16 121.57 2jub n LYS 12 Ca -0.18 -2.24 0.00 0.00 -0.87 0.00 0.00 58.31 55.02 2jub n LYS 12 Cb 0.51 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 34.11 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 2.15 0.00 3.88 3.14 0.00 -1.26 -5.16 105.19 107.94 2jub n GLY 13 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2jub n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jub s ARG 14 N 0.00 3.59 0.13 1.61 1.81 -1.26 -4.99 118.95 119.84 2jub s ARG 14 Ca 0.00 0.62 -0.12 0.00 -1.72 0.00 0.00 55.73 54.51 2jub s ARG 14 Cb 0.00 -2.15 -0.07 0.00 -0.45 0.00 0.00 34.95 32.28 2jub s ARG 14 CO 0.00 -0.48 1.44 1.49 -0.68 0.00 0.00 175.30 177.06 2jub h GLU 15 N -0.18 0.88 0.00 3.54 4.22 -2.02 -3.47 114.58 117.55 2jub h GLU 15 Ca -0.45 -0.51 0.00 0.00 0.08 0.00 0.00 59.36 58.49 2jub h GLU 15 Cb 1.19 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2jub h GLU 15 CO 0.62 1.15 0.00 0.41 -2.18 0.00 0.00 179.01 179.01 2jub n GLY 16 N 0.24 0.68 0.00 1.92 0.00 -1.26 -5.03 105.19 101.75 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 -3.47 1.61 5.02 -1.26 -4.69 118.16 115.37 2jub n LYS 17 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 2jub n LYS 17 Cb 0.00 -0.22 -0.09 0.00 -0.02 0.00 0.00 35.03 34.71 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 -1.00 4.10 -0.00 1.97 0.04 -1.24 -1.38 135.00 137.48 2jub s PRO 18 Ca 0.00 0.01 0.07 0.00 0.04 0.00 0.00 61.00 61.12 2jub s PRO 18 Cb 0.00 -3.57 -0.02 0.00 0.04 0.00 0.00 34.50 30.95 2jub s PRO 18 CO 0.00 -0.08 -0.23 1.41 0.04 0.00 0.00 177.00 178.14 2jub s MET 19 N 1.45 1.81 -0.14 4.56 1.75 -1.20 -4.86 119.30 122.67 2jub s MET 19 Ca 0.14 -0.87 -0.02 0.00 -1.25 0.00 0.00 55.69 53.70 2jub s MET 19 Cb -0.15 -1.79 -0.02 0.00 2.84 0.00 0.00 34.83 35.71 2jub s MET 19 CO 0.08 0.49 -0.07 0.42 -0.65 0.00 0.00 175.02 175.29 2jub s ILE 20 N -0.59 3.65 -0.58 10.11 1.01 -1.26 -2.02 121.20 131.53 2jub s ILE 20 Ca 0.09 -0.45 -0.19 0.00 0.00 0.00 0.00 60.65 60.10 2jub s ILE 20 Cb -0.09 -2.57 0.09 0.00 0.01 0.00 0.00 42.46 39.90 2jub s ILE 20 CO -0.00 0.52 0.69 -0.44 0.00 0.00 0.00 174.94 175.70 2jub s SER 21 N 0.19 6.19 0.00 3.58 0.01 -1.09 -4.87 113.70 117.70 2jub s SER 21 Ca -0.04 -1.33 0.09 0.00 1.31 0.00 0.00 55.95 55.98 2jub s SER 21 Cb -0.14 -2.30 0.40 0.00 0.21 0.00 0.00 66.02 64.19 2jub s SER 21 CO 0.03 -1.07 1.24 0.00 0.41 0.00 0.00 173.24 173.85 2jub n LEU 22 N 6.31 0.00 -0.28 2.44 -0.00 -1.26 0.15 117.00 124.36 2jub n LEU 22 Ca -0.09 0.42 -0.04 0.00 -0.00 0.00 0.00 56.01 56.30 2jub n LEU 22 Cb 0.43 -0.42 0.07 0.00 -0.00 0.00 0.00 43.42 43.50 2jub n LEU 22 CO 0.58 -0.30 1.20 0.58 -0.00 0.00 0.00 177.39 179.45 2jub h VAL 23 N 0.00 1.20 0.00 1.47 2.07 -1.99 -3.24 116.25 115.76 2jub h VAL 23 Ca 0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2jub h VAL 23 Cb 0.13 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 2jub h VAL 23 CO 0.00 0.19 0.00 -0.67 0.02 0.00 0.00 177.57 177.11 2jub n ASP 24 N -4.55 0.76 -2.94 0.57 -0.08 -0.97 -5.07 116.55 104.27 2jub n ASP 24 Ca 0.07 -1.34 -0.04 0.00 -1.51 0.00 0.00 54.79 51.97 2jub n ASP 24 Cb 0.02 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.48 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 -0.17 -2.26 3.03 0.27 0.00 0.39 -5.03 105.19 101.42 2jub n GLY 25 Ca 0.00 0.50 -0.13 0.00 0.00 0.00 0.00 46.02 46.39 2jub n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jub s GLU 26 N -1.65 0.18 -0.18 1.61 2.02 -1.13 -4.95 118.70 114.61 2jub s GLU 26 Ca 0.07 0.29 -0.26 0.00 0.02 0.00 0.00 54.97 55.09 2jub s GLU 26 Cb -0.01 0.02 -0.01 0.00 0.10 0.00 0.00 34.13 34.23 2jub s GLU 26 CO 0.56 -0.06 0.88 -2.00 0.02 0.00 0.00 175.26 174.66 2jub s GLU 27 N 0.40 4.29 -0.69 1.61 2.56 -1.26 -2.69 118.70 122.93 2jub s GLU 27 Ca -0.03 1.09 0.05 0.00 0.00 0.00 0.00 54.97 56.09 2jub s GLU 27 Cb -0.04 -3.59 0.20 0.00 2.00 0.00 0.00 34.13 32.70 2jub s GLU 27 CO -0.02 -0.39 0.58 -0.89 -0.56 0.00 0.00 175.26 173.98 2jub n ILE 28 N 4.85 1.88 -1.89 -3.70 5.41 -0.85 -5.04 119.36 120.01 2jub n ILE 28 Ca 0.06 -4.99 -0.42 0.00 1.00 0.00 0.00 62.75 58.41 2jub n ILE 28 Cb 0.48 -2.16 -0.03 0.00 -0.71 0.00 0.00 39.64 37.22 2jub n ILE 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2jub s LYS 29 N -1.80 3.08 0.00 0.38 1.02 -1.26 -2.91 119.74 118.25 2jub s LYS 29 Ca 0.30 1.42 0.00 0.00 0.02 0.00 0.00 55.97 57.71 2jub s LYS 29 Cb 0.02 -4.29 0.00 0.00 -0.52 0.00 0.00 37.83 33.04 2jub s LYS 29 CO -0.12 -2.17 0.00 0.41 -0.92 0.00 0.00 175.35 172.55 2jub n GLY 30 N 5.58 0.39 3.04 -3.33 0.00 -1.01 -5.00 105.19 104.86 2jub n GLY 30 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.06 2jub n GLY 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jub s THR 31 N -0.46 0.91 -0.38 2.61 -4.23 -0.48 -4.83 115.64 108.78 2jub s THR 31 Ca 0.00 -0.45 0.02 0.00 -1.18 0.00 0.00 61.69 60.08 2jub s THR 31 Cb 0.00 -0.79 0.11 0.00 1.34 0.00 0.00 72.50 73.16 2jub s THR 31 CO 0.00 0.27 0.12 0.68 -0.54 0.00 0.00 174.62 175.15 2jub s VAL 32 N 0.01 2.60 -0.36 2.29 -7.23 -1.26 -3.27 120.40 113.18 2jub s VAL 32 Ca -0.00 -2.37 0.00 0.00 -1.81 0.00 0.00 61.98 57.79 2jub s VAL 32 Cb -0.07 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 34.00 2jub s VAL 32 CO 0.00 -0.65 0.00 -1.22 -0.31 0.00 0.00 175.10 172.92 2jub n TYR 33 N 4.22 -0.54 -2.37 2.82 4.01 -1.26 -4.85 117.16 119.18 2jub n TYR 33 Ca 0.03 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.37 2jub n TYR 33 Cb 0.41 -1.36 -0.03 0.00 -0.31 0.00 0.00 39.34 38.05 2jub n TYR 33 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2jub s LEU 34 N -1.87 4.37 0.00 7.72 1.43 -1.26 -2.23 118.68 126.84 2jub s LEU 34 Ca 0.00 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.43 2jub s LEU 34 Cb 0.00 -3.82 0.00 0.00 0.03 0.00 0.00 46.19 42.40 2jub s LEU 34 CO 0.00 -0.41 0.00 0.61 0.23 0.00 0.00 176.35 176.78 2jub n GLY 35 N 0.85 2.85 0.18 -3.19 0.00 -1.26 -4.71 105.19 99.91 2jub n GLY 35 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 2jub n GLY 35 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jub h ASP 36 N 0.00 0.52 0.00 1.61 5.19 -1.79 -3.46 116.42 118.50 2jub h ASP 36 Ca 0.00 -0.33 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 2jub h ASP 36 Cb 0.00 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.36 2jub h ASP 36 CO 0.00 1.07 0.00 0.61 -3.12 0.00 0.00 179.24 177.80 2jub n GLY 37 N 0.51 1.50 3.54 2.75 0.00 -1.19 -4.54 105.19 107.76 2jub n GLY 37 Ca -0.04 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.52 2jub n GLY 37 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2jub n TRP 38 N 0.00 0.87 -3.68 1.61 -0.00 -1.19 -4.11 117.44 110.92 2jub n TRP 38 Ca 0.00 0.77 -0.11 0.00 -0.00 0.00 0.00 57.50 58.15 2jub n TRP 38 Cb 0.00 -2.18 -0.09 0.00 -0.00 0.00 0.00 31.31 29.03 2jub n TRP 38 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 2jub s SER 39 N -0.62 -0.61 0.32 5.87 0.01 -1.22 -5.01 113.70 112.44 2jub s SER 39 Ca 0.61 1.09 -0.09 0.00 1.31 0.00 0.00 55.95 58.87 2jub s SER 39 Cb -0.77 1.04 0.03 0.00 0.21 0.00 0.00 66.02 66.53 2jub s SER 39 CO 0.58 -0.20 0.58 0.00 0.41 0.00 0.00 173.24 174.62 2jub n ALA 40 N 3.53 -1.07 -3.52 1.44 0.00 -1.26 -0.86 120.51 118.77 2jub n ALA 40 Ca -0.18 -1.17 -0.13 0.00 0.00 0.00 0.00 53.44 51.96 2jub n ALA 40 Cb 0.56 0.94 -0.08 0.00 0.00 0.00 0.00 19.45 20.87 2jub n ALA 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2jub s LYS 41 N -2.28 0.70 -0.22 0.00 -2.85 -0.81 -5.01 119.74 109.27 2jub s LYS 41 Ca 0.17 0.85 -0.16 0.00 -1.00 0.00 0.00 55.97 55.83 2jub s LYS 41 Cb -0.03 0.33 -0.04 0.00 -2.06 0.00 0.00 37.83 36.03 2jub s LYS 41 CO 0.13 -0.09 0.42 0.15 0.10 0.00 0.00 175.35 176.05 2jub s LYS 42 N 0.39 4.13 0.00 1.78 1.02 -1.26 -2.65 119.74 123.15 2jub s LYS 42 Ca -0.01 0.20 0.20 0.00 0.02 0.00 0.00 55.97 56.38 2jub s LYS 42 Cb -0.04 -3.58 -0.04 0.00 -0.52 0.00 0.00 37.83 33.65 2jub s LYS 42 CO -0.00 -0.13 0.97 -3.47 -0.92 0.00 0.00 175.35 171.79 2jub n ASP 43 N 4.79 1.72 0.00 2.83 -0.08 -1.24 -5.02 116.55 119.55 2jub n ASP 43 Ca -0.08 -1.36 0.00 0.00 -1.51 0.00 0.00 54.79 51.84 2jub n ASP 43 Cb 0.51 0.56 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 1.34 0.02 0.18 0.27 0.00 -1.26 -4.84 105.19 100.89 2jub n GLY 44 Ca 0.07 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.53 3.29 -4.00 4.61 0.00 -1.26 -4.77 120.51 117.85 2jub n ALA 45 Ca 0.00 -0.40 -0.30 0.00 0.00 0.00 0.00 53.44 52.74 2jub n ALA 45 Cb 0.00 -1.10 -0.17 0.00 0.00 0.00 0.00 19.45 18.18 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 -2.66 1.51 0.08 0.00 2.01 -1.26 -0.15 115.64 115.16 2jub s THR 46 Ca 0.20 -0.59 -0.20 0.00 0.31 0.00 0.00 61.69 61.41 2jub s THR 46 Cb 0.19 -1.43 -0.07 0.00 0.01 0.00 0.00 72.50 71.20 2jub s THR 46 CO 0.59 0.45 0.58 -0.63 -0.69 0.00 0.00 174.62 174.91 2jub s ILE 47 N 1.51 4.72 -0.31 1.82 -1.09 -0.52 -3.63 121.20 123.70 2jub s ILE 47 Ca 0.05 1.24 -0.08 0.00 -2.23 0.00 0.00 60.65 59.63 2jub s ILE 47 Cb -0.13 -3.91 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 2jub s ILE 47 CO -0.10 0.54 0.12 -0.69 -1.23 0.00 0.00 174.94 173.58 2jub s VAL 48 N -1.12 4.26 0.44 2.92 1.01 -1.08 -1.71 120.40 125.11 2jub s VAL 48 Ca 0.30 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.74 2jub s VAL 48 Cb -0.20 -3.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.93 2jub s VAL 48 CO 0.19 0.05 0.05 0.27 0.00 0.00 0.00 175.10 175.66 2jub s ILE 49 N 1.55 1.83 -0.28 2.22 -4.36 -0.91 -1.92 121.20 119.33 2jub s ILE 49 Ca 0.03 -1.94 -0.02 0.00 -0.26 0.00 0.00 60.65 58.46 2jub s ILE 49 Cb -0.17 -2.76 0.09 0.00 1.25 0.00 0.00 42.46 40.86 2jub s ILE 49 CO 0.04 0.00 0.10 -0.44 0.24 0.00 0.00 174.94 174.88 2jub s SER 50 N -3.80 3.59 0.00 4.36 0.01 -0.03 -1.45 113.70 116.38 2jub s SER 50 Ca 0.29 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 56.22 2jub s SER 50 Cb 0.07 -0.62 0.00 0.00 0.21 0.00 0.00 66.02 65.67 2jub s SER 50 CO 0.15 -0.40 0.00 -2.65 0.41 0.00 0.00 173.24 170.75 2jub n PRO 51 N 5.03 0.00 0.03 12.44 -0.02 -1.26 -3.38 135.00 147.84 2jub n PRO 51 Ca -0.05 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.24 2jub n PRO 51 Cb 0.43 -0.02 -0.13 0.00 -0.02 0.00 0.00 33.50 33.76 2jub n PRO 51 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jub h ALA 52 N -1.33 -0.03 -2.59 3.55 0.00 -1.83 -3.19 119.26 113.84 2jub h ALA 52 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2jub h ALA 52 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2jub h ALA 52 CO 0.00 0.37 0.00 0.39 0.00 0.00 0.00 179.25 180.01 2jub n GLU 53 N -4.15 0.00 -3.15 0.00 1.02 -1.23 -3.20 120.64 109.93 2jub n GLU 53 Ca -0.12 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.07 2jub n GLU 53 Cb 0.77 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 32.18 2jub n GLU 53 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2jub s GLU 54 N -0.16 0.25 0.09 3.49 2.56 -1.26 -4.72 118.70 118.96 2jub s GLU 54 Ca 0.00 0.32 0.05 0.00 0.00 0.00 0.00 54.97 55.34 2jub s GLU 54 Cb 0.00 0.16 -0.03 0.00 2.00 0.00 0.00 34.13 36.26 2jub s GLU 54 CO 0.00 -0.40 -0.13 0.95 -0.56 0.00 0.00 175.26 175.11 2jub s THR 55 N 2.93 1.14 0.19 -1.70 -4.23 -1.26 -4.97 115.64 107.74 2jub s THR 55 Ca 0.16 -1.50 0.17 0.00 -1.18 0.00 0.00 61.69 59.34 2jub s THR 55 Cb -0.06 -1.27 0.25 0.00 1.34 0.00 0.00 72.50 72.76 2jub s THR 55 CO -0.20 -0.36 0.53 0.00 -0.54 0.00 0.00 174.62 174.06 2jub n ALA 56 N 0.89 0.65 1.55 3.99 0.00 -1.26 0.34 120.51 126.67 2jub n ALA 56 Ca -0.18 0.22 0.15 0.00 0.00 0.00 0.00 53.44 53.63 2jub n ALA 56 Cb 0.56 -0.39 0.68 0.00 0.00 0.00 0.00 19.45 20.30 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 -2.65 0.49 0.00 0.00 4.32 -1.26 -4.89 117.00 113.02 2jub n LEU 57 Ca 0.15 -0.05 0.00 0.00 -0.02 0.00 0.00 56.01 56.09 2jub n LEU 57 Cb 0.69 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 2jub n LEU 57 CO 0.15 0.09 0.00 0.49 -1.22 0.00 0.00 177.39 176.90 2jub n PHE 58 N -0.82 0.00 -4.04 -1.77 3.72 1.02 -5.18 117.46 110.39 2jub n PHE 58 Ca 0.17 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.49 2jub n PHE 58 Cb 0.25 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.69 2jub n PHE 58 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 2jub s LYS 59 N 0.68 0.48 0.88 -1.08 0.00 -1.26 -4.71 119.74 114.73 2jub s LYS 59 Ca 0.00 -0.95 -0.13 0.00 0.00 0.00 0.00 55.97 54.89 2jub s LYS 59 Cb 0.00 0.17 0.15 0.00 0.00 0.00 0.00 37.83 38.15 2jub s LYS 59 CO 0.00 -0.09 1.23 0.00 0.00 0.00 0.00 175.35 176.50 2jub s ALA 60 N -2.86 2.56 0.09 0.59 0.00 -1.26 -4.85 121.76 116.04 2jub s ALA 60 Ca -0.03 -1.11 0.04 0.00 0.00 0.00 0.00 51.96 50.86 2jub s ALA 60 Cb 0.00 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.37 2jub s ALA 60 CO -0.06 -2.07 -0.11 0.21 0.00 0.00 0.00 175.76 173.73 2jub s LYS 61 N -5.69 0.85 0.28 0.00 2.20 -0.53 -5.01 119.74 111.84 2jub s LYS 61 Ca 0.69 -1.10 0.08 0.00 -0.36 0.00 0.00 55.97 55.28 2jub s LYS 61 Cb -0.06 -0.63 -0.04 0.00 -1.51 0.00 0.00 37.83 35.59 2jub s LYS 61 CO 0.50 0.11 0.12 -1.01 -0.36 0.00 0.00 175.35 174.72 2jub s HIS 62 N -2.09 2.89 -0.22 4.03 3.76 -1.26 -2.14 115.29 120.25 2jub s HIS 62 Ca 0.03 -0.20 -0.06 0.00 -0.15 0.00 0.00 55.06 54.68 2jub s HIS 62 Cb -0.05 -1.39 0.11 0.00 1.11 0.00 0.00 32.58 32.36 2jub s HIS 62 CO 0.01 0.51 0.44 0.42 -0.85 0.00 0.00 174.74 175.27 2jub s ILE 63 N -2.26 -0.69 0.61 0.60 1.01 -0.69 -4.88 121.20 114.90 2jub s ILE 63 Ca 0.34 0.10 -0.19 0.00 0.00 0.00 0.00 60.65 60.89 2jub s ILE 63 Cb -0.06 -0.74 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 2jub s ILE 63 CO 0.23 0.02 1.28 -0.44 0.00 0.00 0.00 174.94 176.03 2jub s SER 64 N 2.64 4.90 0.24 3.58 0.01 -1.26 -1.44 113.70 122.36 2jub s SER 64 Ca 0.02 2.59 -0.06 0.00 1.31 0.00 0.00 55.95 59.81 2jub s SER 64 Cb -0.13 -2.62 0.43 0.00 0.21 0.00 0.00 66.02 63.91 2jub s SER 64 CO -0.14 -1.80 1.69 0.00 0.41 0.00 0.00 173.24 173.39 2jub h ALA 65 N 0.83 0.90 -0.89 1.44 0.00 -0.92 0.63 119.26 121.24 2jub h ALA 65 Ca -0.51 0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.70 2jub h ALA 65 Cb 1.32 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 19.25 2jub h ALA 65 CO 0.54 -0.33 0.50 0.00 0.00 0.00 0.00 179.25 179.96 2jub h ALA 66 N 1.59 1.35 0.00 0.00 0.00 -1.89 0.13 119.26 120.44 2jub h ALA 66 Ca 0.40 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.31 2jub h ALA 66 Cb 0.66 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2jub h ALA 66 CO -0.50 0.01 -0.28 0.45 0.00 0.00 0.00 179.25 178.93 2jub h HIS 67 N 0.75 0.00 -0.66 0.00 -0.00 -1.22 -1.68 115.15 112.34 2jub h HIS 67 Ca 0.47 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.86 2jub h HIS 67 Cb 0.59 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.97 2jub h HIS 67 CO -0.06 0.28 0.44 1.25 -0.00 0.00 0.00 177.93 179.84 2jub h LEU 68 N 0.00 0.73 -1.09 2.43 7.12 -0.31 0.72 115.31 124.91 2jub h LEU 68 Ca -0.00 -0.02 0.03 0.00 0.13 0.00 0.00 57.88 58.02 2jub h LEU 68 Cb 0.51 -0.18 -0.05 0.00 -0.53 0.00 0.00 40.66 40.41 2jub h LEU 68 CO 0.04 0.52 0.62 0.50 -0.13 0.00 0.00 178.44 179.99 2jub h LYS 69 N 0.86 1.18 -0.26 1.25 3.64 -1.08 -0.78 116.57 121.38 2jub h LYS 69 Ca 0.25 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2jub h LYS 69 Cb -0.05 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.49 2jub h LYS 69 CO -0.06 0.78 0.17 0.82 -2.27 0.00 0.00 179.45 178.89 2jub h ILE 70 N 1.21 1.07 -0.49 2.00 2.04 -0.82 -1.77 117.51 120.76 2jub h ILE 70 Ca 0.36 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 66.06 2jub h ILE 70 Cb -0.04 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2jub h ILE 70 CO -0.10 0.07 0.25 0.40 0.00 0.00 0.00 178.15 178.77 2jub h ILE 71 N 0.36 1.19 -0.08 -0.67 2.04 -0.97 -1.61 117.51 117.77 2jub h ILE 71 Ca 0.10 -0.51 -0.24 0.00 1.00 0.00 0.00 64.86 65.21 2jub h ILE 71 Cb -0.03 0.62 0.01 0.00 -0.74 0.00 0.00 36.82 36.69 2jub h ILE 71 CO -0.02 0.20 -0.90 0.00 0.00 0.00 0.00 178.15 177.43 2jub h ALA 72 N 1.09 0.24 0.52 1.87 0.00 -1.45 -3.11 119.26 118.42 2jub h ALA 72 Ca 0.17 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2jub h ALA 72 Cb 0.10 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2jub h ALA 72 CO -0.02 0.69 -0.25 -0.22 0.00 0.00 0.00 179.25 179.45 2jub h LYS 73 N 0.46 -0.67 -0.42 0.00 3.64 -1.26 -0.23 116.57 118.09 2jub h LYS 73 Ca -0.09 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.42 2jub h LYS 73 Cb 1.54 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 33.43 2jub h LYS 73 CO 0.18 -0.37 -0.08 -0.97 -2.27 0.00 0.00 179.45 175.94 2jub h ASN 74 N -0.92 -0.34 0.61 4.20 -1.24 -1.42 0.88 115.58 117.35 2jub h ASN 74 Ca -0.07 0.12 -0.03 0.00 0.71 0.00 0.00 56.30 57.03 2jub h ASN 74 Cb 0.61 0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.90 2jub h ASN 74 CO 0.12 -0.12 -0.15 -0.07 -1.29 0.00 0.00 177.43 175.92 2jub h LEU 75 N 0.03 0.00 -1.77 0.34 -0.00 -1.52 -3.49 115.31 108.90 2jub h LEU 75 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 2jub h LEU 75 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 2jub h LEU 75 CO -0.41 0.15 0.00 0.18 -0.00 0.00 0.00 178.44 178.36