#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrr s THR 2 N 0.00 1.64 0.41 2.03 2.01 -1.26 -5.00 115.64 115.47 2jrr s THR 2 Ca 0.00 -0.85 0.38 0.00 0.31 0.00 0.00 61.69 61.53 2jrr s THR 2 Cb 0.00 -1.39 0.41 0.00 0.01 0.00 0.00 72.50 71.52 2jrr s THR 2 CO 0.00 0.47 2.18 -0.29 -0.69 0.00 0.00 174.62 176.29 2jrr h ILE 3 N 5.07 0.08 0.00 1.82 6.09 -2.02 -3.46 117.51 125.08 2jrr h ILE 3 Ca -0.34 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 62.88 2jrr h ILE 3 Cb 1.17 1.25 0.00 0.00 0.47 0.00 0.00 36.82 39.71 2jrr h ILE 3 CO 0.48 0.02 0.00 0.00 -3.07 0.00 0.00 178.15 175.57 2jrr n GLN 4 N -3.16 0.00 -3.63 2.19 6.02 -1.26 -4.84 117.38 112.69 2jrr n GLN 4 Ca -0.01 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.70 2jrr n GLN 4 Cb 0.19 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.49 2jrr n GLN 4 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jrr n ALA 5 N 2.01 -2.45 -0.37 -1.58 0.00 -1.26 -4.77 120.51 112.09 2jrr n ALA 5 Ca 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 53.44 53.21 2jrr n ALA 5 Cb 0.00 -4.00 0.02 0.00 0.00 0.00 0.00 19.45 15.47 2jrr n ALA 5 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jrr n PRO 6 N -4.06 1.25 0.00 0.00 -0.04 -1.26 -4.43 135.00 126.46 2jrr n PRO 6 Ca -0.13 -0.50 0.00 0.00 -0.04 0.00 0.00 63.50 62.83 2jrr n PRO 6 Cb 0.61 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 2jrr n PRO 6 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2jrr n GLU 7 N 0.95 3.19 -2.22 0.54 0.00 -1.26 -4.64 120.64 117.19 2jrr n GLU 7 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.83 2jrr n GLU 7 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.97 2jrr n GLU 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2jrr s THR 8 N 0.64 3.79 -0.32 6.31 2.01 -1.26 -1.27 115.64 125.54 2jrr s THR 8 Ca 0.00 1.11 0.03 0.00 0.31 0.00 0.00 61.69 63.15 2jrr s THR 8 Cb 0.00 -3.72 0.09 0.00 0.01 0.00 0.00 72.50 68.89 2jrr s THR 8 CO 0.00 -0.03 0.03 -0.75 -0.69 0.00 0.00 174.62 173.17 2jrr s LYS 9 N 2.83 1.52 -0.71 4.92 2.47 0.67 -4.94 119.74 126.50 2jrr s LYS 9 Ca 0.64 -1.69 -0.25 0.00 -1.56 0.00 0.00 55.97 53.10 2jrr s LYS 9 Cb -0.30 -3.03 0.05 0.00 -1.46 0.00 0.00 37.83 33.09 2jrr s LYS 9 CO 0.25 -0.88 1.15 0.42 0.16 0.00 0.00 175.35 176.45 2jrr s ILE 10 N 1.02 3.98 0.16 5.43 1.01 -1.26 -0.23 121.20 131.31 2jrr s ILE 10 Ca 0.07 0.07 0.07 0.00 0.00 0.00 0.00 60.65 60.86 2jrr s ILE 10 Cb -0.19 -4.82 -0.04 0.00 0.01 0.00 0.00 42.46 37.42 2jrr s ILE 10 CO -0.09 -1.69 -0.00 0.68 0.00 0.00 0.00 174.94 173.83 2jrr s VAL 11 N 5.02 3.73 -1.36 2.92 -7.23 -0.02 -4.83 120.40 118.64 2jrr s VAL 11 Ca 0.30 -1.38 0.07 0.00 -1.81 0.00 0.00 61.98 59.16 2jrr s VAL 11 Cb -0.12 -2.86 0.28 0.00 0.56 0.00 0.00 36.38 34.24 2jrr s VAL 11 CO 0.13 -0.08 1.09 0.47 -0.31 0.00 0.00 175.10 176.39 2jrr n ASP 12 N -0.03 2.15 -4.07 4.85 9.92 -1.26 -0.37 116.55 127.74 2jrr n ASP 12 Ca -0.10 -2.18 -0.18 0.00 -0.53 0.00 0.00 54.79 51.81 2jrr n ASP 12 Cb 0.55 -0.38 -0.14 0.00 -0.64 0.00 0.00 41.12 40.51 2jrr n ASP 12 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2jrr s LYS 13 N -1.65 0.73 0.13 -1.24 -2.85 -1.26 -4.91 119.74 108.70 2jrr s LYS 13 Ca 0.20 -0.55 0.17 0.00 -1.00 0.00 0.00 55.97 54.79 2jrr s LYS 13 Cb 0.13 -0.68 -0.08 0.00 -2.06 0.00 0.00 37.83 35.14 2jrr s LYS 13 CO 0.09 0.17 0.98 0.77 0.10 0.00 0.00 175.35 177.47 2jrr h SER 14 N 5.31 0.00 -3.66 0.03 0.02 -1.93 -3.45 113.55 109.87 2jrr h SER 14 Ca -0.34 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 59.91 2jrr h SER 14 Cb 1.18 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.45 2jrr h SER 14 CO 0.46 0.49 -0.59 -0.13 -1.14 0.00 0.00 176.83 175.92 2jrr s ARG 15 N -2.98 2.67 0.06 3.45 0.52 -1.26 -0.45 118.95 120.96 2jrr s ARG 15 Ca -0.01 -1.15 0.07 0.00 -0.52 0.00 0.00 55.73 54.11 2jrr s ARG 15 Cb 0.08 -3.50 -0.04 0.00 0.52 0.00 0.00 34.95 32.02 2jrr s ARG 15 CO 0.79 -0.66 -0.13 0.08 0.02 0.00 0.00 175.30 175.40 2jrr s VAL 16 N 1.43 3.17 -0.50 3.52 1.01 -0.97 -4.89 120.40 123.17 2jrr s VAL 16 Ca -0.01 -1.17 -0.21 0.00 0.00 0.00 0.00 61.98 60.59 2jrr s VAL 16 Cb -0.19 -2.41 0.04 0.00 0.00 0.00 0.00 36.38 33.82 2jrr s VAL 16 CO 0.03 0.24 0.73 0.00 0.00 0.00 0.00 175.10 176.10 2jrr s ALA 17 N -1.07 3.31 0.73 5.51 0.00 -1.25 -1.00 121.76 127.99 2jrr s ALA 17 Ca 0.18 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.68 2jrr s ALA 17 Cb -0.11 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2jrr s ALA 17 CO 0.09 -2.07 0.00 0.00 0.00 0.00 0.00 175.76 173.78 2jrr n ASP 19 N 0.00 -5.97 -3.81 0.00 2.03 -1.26 -4.36 116.55 103.18 2jrr n ASP 19 Ca 0.00 0.92 -0.12 0.00 0.52 0.00 0.00 54.79 56.11 2jrr n ASP 19 Cb 0.00 -3.86 -0.11 0.00 -0.72 0.00 0.00 41.12 36.43 2jrr n ASP 19 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2jrr s GLY 20 N -1.12 -0.10 0.00 0.27 0.00 -1.09 -0.03 107.32 105.25 2jrr s GLY 20 Ca 0.01 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.09 2jrr s GLY 20 CO 0.52 0.24 0.00 0.61 0.00 0.00 0.00 173.10 174.47 2jrr n GLY 21 N 2.26 0.64 3.54 0.20 0.00 -1.13 -4.53 105.19 106.17 2jrr n GLY 21 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 2jrr n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jrr s GLU 22 N 0.00 1.46 0.16 1.61 2.12 -1.26 -4.86 118.70 117.93 2jrr s GLU 22 Ca 0.00 -1.18 -0.27 0.00 0.36 0.00 0.00 54.97 53.88 2jrr s GLU 22 Cb 0.00 0.46 0.01 0.00 0.26 0.00 0.00 34.13 34.86 2jrr s GLU 22 CO 0.00 -0.60 1.56 0.78 -0.54 0.00 0.00 175.26 176.46 2jrr h GLY 23 N 2.29 -0.57 2.00 -1.50 0.00 -2.00 0.40 103.07 103.69 2jrr h GLY 23 Ca -0.27 0.61 -0.02 0.00 0.00 0.00 0.00 47.33 47.65 2jrr h GLY 23 CO 0.38 -0.14 -0.10 0.00 0.00 0.00 0.00 176.54 176.68 2jrr h ALA 24 N 0.52 1.20 -0.67 3.60 0.00 -2.02 -2.52 119.26 119.38 2jrr h ALA 24 Ca 0.17 -0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.74 2jrr h ALA 24 Cb 0.56 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.18 2jrr h ALA 24 CO -0.71 0.13 0.25 1.28 0.00 0.00 0.00 179.25 180.20 2jrr n LEU 25 N -3.50 5.62 -2.35 0.00 4.77 0.53 -4.79 117.00 117.28 2jrr n LEU 25 Ca -0.01 -3.38 -0.20 0.00 -0.03 0.00 0.00 56.01 52.39 2jrr n LEU 25 Cb 0.24 -0.72 -0.12 0.00 -2.33 0.00 0.00 43.42 40.49 2jrr n LEU 25 CO 0.29 0.92 1.89 0.61 -1.33 0.00 0.00 177.39 179.77 2jrr n GLY 26 N -0.58 3.55 3.58 -0.72 0.00 0.11 -2.67 105.19 108.46 2jrr n GLY 26 Ca 0.41 -1.43 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 2jrr n GLY 26 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jrr n HIS 27 N 2.27 -2.14 0.38 1.61 8.25 0.96 -4.95 115.22 121.61 2jrr n HIS 27 Ca 0.50 0.66 -0.16 0.00 -0.26 0.00 0.00 57.72 58.46 2jrr n HIS 27 Cb 0.72 -3.44 -0.08 0.00 1.12 0.00 0.00 29.99 28.32 2jrr n HIS 27 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2jrr h PRO 28 N -1.13 -0.97 -0.03 -0.41 0.11 -1.81 -3.45 132.00 124.30 2jrr h PRO 28 Ca -0.53 0.07 0.11 0.00 0.11 0.00 0.00 66.00 65.76 2jrr h PRO 28 Cb 1.30 0.22 -0.16 0.00 0.11 0.00 0.00 31.00 32.47 2jrr h PRO 28 CO 0.42 -0.65 -0.04 0.50 -0.21 0.00 0.00 178.00 178.03 2jrr s ARG 29 N -5.27 0.03 -0.26 1.05 6.06 -1.26 -5.14 118.95 114.16 2jrr s ARG 29 Ca -0.15 -0.02 -0.03 0.00 -2.50 0.00 0.00 55.73 53.03 2jrr s ARG 29 Cb 0.02 0.00 0.08 0.00 0.06 0.00 0.00 34.95 35.11 2jrr s ARG 29 CO 0.46 -0.04 0.09 0.08 -2.50 0.00 0.00 175.30 173.39 2jrr s VAL 30 N 1.53 0.42 -0.22 7.11 1.01 -1.26 -5.05 120.40 123.94 2jrr s VAL 30 Ca 0.18 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 2jrr s VAL 30 Cb 0.10 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2jrr s VAL 30 CO -0.14 -0.52 0.39 0.26 0.00 0.00 0.00 175.10 175.08 2jrr s TRP 31 N 1.87 3.34 -0.16 5.22 0.52 -1.26 -0.52 118.94 127.95 2jrr s TRP 31 Ca 0.06 0.56 -0.06 0.00 0.02 0.00 0.00 56.10 56.68 2jrr s TRP 31 Cb -0.17 -2.53 -0.04 0.00 -1.15 0.00 0.00 33.47 29.59 2jrr s TRP 31 CO -0.22 -0.06 0.03 -0.51 0.02 0.00 0.00 176.95 176.21 2jrr s LEU 32 N 1.48 3.65 -0.35 2.99 1.02 -0.17 -4.93 118.68 122.38 2jrr s LEU 32 Ca 0.18 0.05 -0.19 0.00 0.02 0.00 0.00 54.13 54.19 2jrr s LEU 32 Cb -0.15 -1.90 -0.00 0.00 0.02 0.00 0.00 46.19 44.16 2jrr s LEU 32 CO 0.08 0.21 0.54 -1.58 0.02 0.00 0.00 176.35 175.62 2jrr s GLN 33 N 0.16 3.66 -0.10 1.70 2.00 -1.26 -2.28 119.66 123.53 2jrr s GLN 33 Ca 0.03 -0.08 -0.29 0.00 -2.00 0.00 0.00 55.36 53.01 2jrr s GLN 33 Cb -0.13 -3.80 -0.05 0.00 0.80 0.00 0.00 33.01 29.83 2jrr s GLN 33 CO 0.01 -0.65 1.70 0.42 -0.50 0.00 0.00 175.29 176.27 2jrr s ILE 34 N 2.47 3.54 0.07 -2.34 1.01 0.40 -4.95 121.20 121.40 2jrr s ILE 34 Ca 0.20 0.64 -0.28 0.00 0.00 0.00 0.00 60.65 61.21 2jrr s ILE 34 Cb -0.15 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 2jrr s ILE 34 CO 0.13 -0.12 0.87 -2.16 0.00 0.00 0.00 174.94 173.67 2jrr s PRO 35 N 4.37 4.60 0.63 2.79 0.04 -1.26 -4.94 135.00 141.22 2jrr s PRO 35 Ca 0.75 1.27 0.35 0.00 0.04 0.00 0.00 61.00 63.41 2jrr s PRO 35 Cb -0.32 -3.38 1.97 0.00 0.04 0.00 0.00 34.50 32.81 2jrr s PRO 35 CO 0.31 0.23 2.22 1.49 0.04 0.00 0.00 177.00 181.28 2jrr h GLU 36 N 5.71 0.00 -0.45 4.56 4.81 -1.96 0.12 114.58 127.36 2jrr h GLU 36 Ca -0.43 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 2jrr h GLU 36 Cb 1.21 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 2jrr h GLU 36 CO 0.72 0.00 0.16 -0.44 -0.73 0.00 0.00 179.01 178.72 2jrr h ASP 37 N 0.00 0.60 0.00 1.04 5.19 -1.99 -3.35 116.42 117.91 2jrr h ASP 37 Ca 0.02 -0.07 -0.26 0.00 -0.62 0.00 0.00 57.03 56.10 2jrr h ASP 37 Cb 0.20 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 39.52 2jrr h ASP 37 CO -0.00 0.56 -1.87 0.35 -3.12 0.00 0.00 179.24 175.15 2jrr n THR 38 N -4.35 0.86 0.00 0.35 -2.24 -0.72 -5.04 114.28 103.14 2jrr n THR 38 Ca 0.03 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2jrr n THR 38 Cb 0.17 -1.63 0.00 0.00 -2.10 0.00 0.00 70.33 66.77 2jrr n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jrr n GLY 39 N 2.11 0.50 3.56 3.38 0.00 0.33 -4.31 105.19 110.76 2jrr n GLY 39 Ca -0.30 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 2jrr n GLY 39 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2jrr s TRP 40 N -2.00 -0.02 -0.03 1.61 1.48 -1.26 -1.30 118.94 117.42 2jrr s TRP 40 Ca 0.00 -0.34 -0.06 0.00 -1.06 0.00 0.00 56.10 54.64 2jrr s TRP 40 Cb 0.00 0.37 0.01 0.00 -1.16 0.00 0.00 33.47 32.69 2jrr s TRP 40 CO 0.00 -0.96 0.13 0.54 -4.06 0.00 0.00 176.95 172.60 2jrr s VAL 41 N -3.91 0.04 -0.07 -0.66 0.11 -0.26 -4.43 120.40 111.22 2jrr s VAL 41 Ca 0.12 -0.32 -0.02 0.00 -2.93 0.00 0.00 61.98 58.83 2jrr s VAL 41 Cb -0.01 -0.30 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 2jrr s VAL 41 CO 0.00 -0.17 0.04 -1.83 -3.33 0.00 0.00 175.10 169.82 2jrr s GLU 42 N -0.57 3.07 -0.32 1.54 -1.05 -1.26 -0.20 118.70 119.91 2jrr s GLU 42 Ca -0.07 -0.38 -0.13 0.00 -0.15 0.00 0.00 54.97 54.24 2jrr s GLU 42 Cb -0.04 -2.87 -0.02 0.00 -0.44 0.00 0.00 34.13 30.75 2jrr s GLU 42 CO 0.01 0.70 0.27 0.00 0.95 0.00 0.00 175.26 177.19 2jrr n PRO 44 N 5.18 0.52 -0.02 0.00 -0.04 -1.26 -0.76 135.00 138.61 2jrr n PRO 44 Ca -0.12 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.30 2jrr n PRO 44 Cb 0.50 -1.18 -0.01 0.00 -0.04 0.00 0.00 33.50 32.77 2jrr n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jrr n TYR 45 N 0.01 0.00 0.74 0.54 4.01 -1.26 -4.83 117.16 116.37 2jrr n TYR 45 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 2jrr n TYR 45 Cb 0.09 -0.14 -0.01 0.00 -0.31 0.00 0.00 39.34 38.98 2jrr n TYR 45 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jrr n ASP 47 N -0.17 -5.10 -4.73 0.00 8.00 0.06 -4.27 116.55 110.34 2jrr n ASP 47 Ca 0.07 0.36 -0.41 0.00 0.71 0.00 0.00 54.79 55.52 2jrr n ASP 47 Cb 0.35 -3.89 -0.05 0.00 -0.02 0.00 0.00 41.12 37.51 2jrr n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jrr s LYS 49 N -0.15 3.28 -0.59 0.00 2.20 -0.40 -2.33 119.74 121.75 2jrr s LYS 49 Ca 0.46 -2.03 -0.27 0.00 -0.36 0.00 0.00 55.97 53.78 2jrr s LYS 49 Cb -0.24 -4.37 0.03 0.00 -1.51 0.00 0.00 37.83 31.75 2jrr s LYS 49 CO 0.30 -1.33 1.12 0.71 -0.36 0.00 0.00 175.35 175.80 2jrr s TYR 50 N 1.02 2.62 -0.16 4.03 2.02 0.72 -0.24 117.35 127.36 2jrr s TYR 50 Ca 0.10 0.20 -0.19 0.00 -0.37 0.00 0.00 57.07 56.82 2jrr s TYR 50 Cb -0.21 -4.40 -0.04 0.00 -0.40 0.00 0.00 41.96 36.92 2jrr s TYR 50 CO -0.02 -1.59 0.51 0.08 -1.57 0.00 0.00 175.55 172.96 2jrr s VAL 51 N 4.74 5.14 -0.33 0.71 1.01 0.69 -1.10 120.40 131.25 2jrr s VAL 51 Ca 0.38 0.98 -0.29 0.00 0.00 0.00 0.00 61.98 63.05 2jrr s VAL 51 Cb -0.09 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.44 2jrr s VAL 51 CO 0.22 0.24 1.47 -0.22 0.00 0.00 0.00 175.10 176.80 2jrr s LEU 52 N 1.20 3.73 -0.05 3.92 2.96 -0.42 -0.84 118.68 129.17 2jrr s LEU 52 Ca 0.25 1.16 -0.30 0.00 -0.22 0.00 0.00 54.13 55.03 2jrr s LEU 52 Cb -0.15 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.93 2jrr s LEU 52 CO 0.10 -1.32 1.87 -0.75 -1.32 0.00 0.00 176.35 174.92 2jrr s LYS 53 N 4.74 3.98 0.00 1.98 2.20 0.50 -0.91 119.74 132.22 2jrr s LYS 53 Ca 0.64 2.30 0.00 0.00 -0.36 0.00 0.00 55.97 58.55 2jrr s LYS 53 Cb -0.18 -4.12 0.00 0.00 -1.51 0.00 0.00 37.83 32.02 2jrr s LYS 53 CO 0.29 -1.12 0.00 0.41 -0.36 0.00 0.00 175.35 174.57 2jrr n GLY 54 N 4.60 0.42 2.73 5.54 0.00 -1.26 -4.86 105.19 112.36 2jrr n GLY 54 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 2jrr n GLY 54 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jrr n SER 55 N 0.00 0.84 0.03 1.61 2.88 -0.09 -4.88 113.62 114.01 2jrr n SER 55 Ca 0.00 -1.74 0.09 0.00 -1.33 0.00 0.00 58.87 55.89 2jrr n SER 55 Cb 0.00 -0.49 0.40 0.00 -0.75 0.00 0.00 64.21 63.37 2jrr n SER 55 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jrr n LYS 56 N -2.39 0.04 0.00 -1.46 5.02 -1.26 -0.93 118.16 117.19 2jrr n LYS 56 Ca 0.12 0.23 0.13 0.00 -2.02 0.00 0.00 58.31 56.77 2jrr n LYS 56 Cb 0.41 -1.58 0.34 0.00 -0.02 0.00 0.00 35.03 34.19 2jrr n LYS 56 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jrr n ALA 57 N -1.56 2.67 -3.18 7.82 0.00 -1.26 -4.96 120.51 120.04 2jrr n ALA 57 Ca 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2jrr n ALA 57 Cb 0.22 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.65 2jrr n ALA 57 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jrr n ASP 58 N 0.43 1.31 -1.88 0.00 2.03 -0.10 -4.94 116.55 113.39 2jrr n ASP 58 Ca 0.16 -0.28 -0.08 0.00 0.52 0.00 0.00 54.79 55.11 2jrr n ASP 58 Cb 0.44 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.87 2jrr n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jrr n ALA 59 N -3.00 -0.68 0.27 -1.67 0.00 -1.26 -4.76 120.51 109.41 2jrr n ALA 59 Ca 0.00 0.07 0.16 0.00 0.00 0.00 0.00 53.44 53.67 2jrr n ALA 59 Cb 0.00 -1.91 0.68 0.00 0.00 0.00 0.00 19.45 18.22 2jrr n ALA 59 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jrr h LEU 60 N -0.94 0.00 -4.98 0.00 4.07 -1.94 -3.27 115.31 108.24 2jrr h LEU 60 Ca -0.24 0.00 -0.43 0.00 0.08 0.00 0.00 57.88 57.29 2jrr h LEU 60 Cb 1.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.89 2jrr h LEU 60 CO 0.22 0.04 2.40 -0.62 -1.08 0.00 0.00 178.44 179.40 2jrr n GLU 61 N -3.16 2.56 0.26 1.13 1.02 -1.26 -4.58 120.64 116.60 2jrr n GLU 61 Ca 0.00 -1.57 0.12 0.00 -0.02 0.00 0.00 57.16 55.69 2jrr n GLU 61 Cb 0.31 -2.44 0.68 0.00 -0.02 0.00 0.00 31.44 29.97 2jrr n GLU 61 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2jrr h HIS 62 N 5.19 0.00 0.00 -0.32 2.76 -1.98 -0.56 115.15 120.24 2jrr h HIS 62 Ca 0.55 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.62 2jrr h HIS 62 Cb 0.45 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.39 2jrr h HIS 62 CO 1.85 0.14 -0.62 1.12 -1.30 0.00 0.00 177.93 179.12 2jrr h HIS 63 N 0.00 0.00 -3.66 5.26 2.07 -1.93 -3.43 115.15 113.46 2jrr h HIS 63 Ca -0.00 0.00 -0.68 0.00 -2.85 0.00 0.00 60.37 56.83 2jrr h HIS 63 Cb 0.37 0.00 -0.34 0.00 2.57 0.00 0.00 27.41 30.01 2jrr h HIS 63 CO 0.00 0.46 -0.65 -1.58 -3.07 0.00 0.00 177.93 173.09 2jrr s HIS 64 N -2.99 3.45 -0.25 6.12 5.04 -0.22 -4.96 115.29 121.48 2jrr s HIS 64 Ca 0.03 -2.24 -0.10 0.00 -1.54 0.00 0.00 55.06 51.22 2jrr s HIS 64 Cb 0.08 -2.63 -0.15 0.00 0.04 0.00 0.00 32.58 29.91 2jrr s HIS 64 CO 0.75 -0.89 -0.19 0.72 -2.34 0.00 0.00 174.74 172.79 2jrr n HIS 65 N 4.56 0.22 -2.06 3.88 -0.00 -1.26 -4.78 115.22 115.78 2jrr n HIS 65 Ca -0.07 0.07 -0.37 0.00 -0.00 0.00 0.00 57.72 57.35 2jrr n HIS 65 Cb 0.42 -1.03 -0.03 0.00 -0.00 0.00 0.00 29.99 29.36 2jrr n HIS 65 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jrr s HIS 66 N -2.50 1.69 -2.79 4.41 5.65 -1.26 -5.18 115.29 115.30 2jrr s HIS 66 Ca -0.35 0.74 0.26 0.00 0.25 0.00 0.00 55.06 55.96 2jrr s HIS 66 Cb 0.11 -4.10 0.54 0.00 -1.18 0.00 0.00 32.58 27.96 2jrr s HIS 66 CO 0.56 -2.24 1.46 -2.39 -0.65 0.00 0.00 174.74 171.48