#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 5.24 -0.41 2.03 -4.23 -1.26 -4.98 115.64 112.04 2jrr s THR 2 Ca 0.00 0.58 0.22 0.00 -1.18 0.00 0.00 61.69 61.32 2jrr s THR 2 Cb 0.00 -3.60 0.30 0.00 1.34 0.00 0.00 72.50 70.54 2jrr s THR 2 CO 0.00 0.54 1.56 0.16 -0.54 0.00 0.00 174.62 176.34 2jrr h ILE 3 N 4.04 0.05 -4.40 2.99 -2.65 -2.15 -3.50 117.51 111.90 2jrr h ILE 3 Ca -0.50 -1.08 0.01 0.00 1.03 0.00 0.00 64.86 64.32 2jrr h ILE 3 Cb 1.21 1.99 -0.09 0.00 -2.05 0.00 0.00 36.82 37.88 2jrr h ILE 3 CO 0.64 0.03 -1.14 0.00 0.03 0.00 0.00 178.15 177.71 2jrr n GLN 4 N -3.08 -3.46 -3.68 0.16 6.02 -1.26 -5.00 117.38 107.08 2jrr n GLN 4 Ca 0.04 2.72 -0.38 0.00 -0.01 0.00 0.00 57.00 59.37 2jrr n GLN 4 Cb 0.54 -3.96 -0.09 0.00 1.02 0.00 0.00 30.24 27.75 2jrr n GLN 4 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jrr s ALA 5 N -0.48 3.52 -0.96 -1.58 0.00 -1.26 -5.04 121.76 115.96 2jrr s ALA 5 Ca -0.19 -3.03 -0.25 0.00 0.00 0.00 0.00 51.96 48.49 2jrr s ALA 5 Cb 0.01 -2.71 -0.10 0.00 0.00 0.00 0.00 23.12 20.33 2jrr s ALA 5 CO 0.52 -2.03 2.07 -2.14 0.00 0.00 0.00 175.76 174.17 2jrr s PRO 6 N 0.37 2.17 0.43 0.00 0.02 -1.26 -4.73 135.00 132.00 2jrr s PRO 6 Ca 0.14 -0.32 0.23 0.00 0.02 0.00 0.00 61.00 61.07 2jrr s PRO 6 Cb -0.21 -5.03 0.80 0.00 0.02 0.00 0.00 34.50 30.08 2jrr s PRO 6 CO -0.04 -4.00 1.77 1.05 -0.33 0.00 0.00 177.00 175.46 2jrr h GLU 7 N 11.30 0.00 -6.05 5.54 4.11 -1.93 -3.42 114.58 124.13 2jrr h GLU 7 Ca 0.09 0.00 -0.59 0.00 0.07 0.00 0.00 59.36 58.93 2jrr h GLU 7 Cb 0.99 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.13 2jrr h GLU 7 CO 1.14 0.23 0.71 0.99 0.07 0.00 0.00 179.01 182.15 2jrr s THR 8 N -3.53 4.24 -0.16 -1.06 2.01 -1.26 -0.95 115.64 114.93 2jrr s THR 8 Ca 0.02 0.39 0.01 0.00 0.31 0.00 0.00 61.69 62.42 2jrr s THR 8 Cb 0.09 -4.63 0.02 0.00 0.01 0.00 0.00 72.50 67.99 2jrr s THR 8 CO 0.65 -1.26 -0.20 -0.54 -0.69 0.00 0.00 174.62 172.58 2jrr s LYS 9 N 4.35 2.90 -0.20 4.92 1.02 0.03 -4.95 119.74 127.81 2jrr s LYS 9 Ca 0.33 -0.80 -0.27 0.00 0.02 0.00 0.00 55.97 55.26 2jrr s LYS 9 Cb -0.11 -2.45 -0.01 0.00 -0.52 0.00 0.00 37.83 34.75 2jrr s LYS 9 CO 0.20 -0.14 0.91 0.42 -0.92 0.00 0.00 175.35 175.82 2jrr s ILE 10 N 1.13 4.80 0.07 2.17 -1.09 -1.26 -0.26 121.20 126.76 2jrr s ILE 10 Ca 0.00 1.77 0.05 0.00 -2.23 0.00 0.00 60.65 60.24 2jrr s ILE 10 Cb -0.14 -4.20 -0.03 0.00 -1.58 0.00 0.00 42.46 36.51 2jrr s ILE 10 CO -0.08 -0.06 -0.15 0.68 -1.23 0.00 0.00 174.94 174.10 2jrr s VAL 11 N 2.60 1.17 -0.56 2.92 -7.23 -0.04 -4.94 120.40 114.33 2jrr s VAL 11 Ca 0.40 -1.32 0.23 0.00 -1.81 0.00 0.00 61.98 59.48 2jrr s VAL 11 Cb -0.16 -1.12 -0.01 0.00 0.56 0.00 0.00 36.38 35.65 2jrr s VAL 11 CO 0.10 -0.20 1.18 -0.90 -0.31 0.00 0.00 175.10 174.97 2jrr n ASP 12 N 1.28 0.69 -4.87 4.85 5.75 -1.26 -0.69 116.55 122.29 2jrr n ASP 12 Ca -0.21 0.06 -0.36 0.00 -0.01 0.00 0.00 54.79 54.27 2jrr n ASP 12 Cb 0.54 0.41 -0.06 0.00 -1.03 0.00 0.00 41.12 40.98 2jrr n ASP 12 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2jrr s LYS 13 N -3.21 3.63 0.33 0.11 1.02 -1.26 -4.84 119.74 115.52 2jrr s LYS 13 Ca 0.04 0.03 0.18 0.00 0.02 0.00 0.00 55.97 56.24 2jrr s LYS 13 Cb 0.13 -3.12 0.16 0.00 -0.52 0.00 0.00 37.83 34.47 2jrr s LYS 13 CO 0.76 0.68 1.48 0.77 -0.92 0.00 0.00 175.35 178.11 2jrr h SER 14 N 4.33 0.00 -3.25 2.83 0.02 -1.94 -3.43 113.55 112.10 2jrr h SER 14 Ca -0.51 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.77 2jrr h SER 14 Cb 1.21 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.43 2jrr h SER 14 CO 0.63 0.31 -0.79 0.00 -1.14 0.00 0.00 176.83 175.84 2jrr s ARG 15 N -3.06 3.13 0.01 3.45 1.70 -1.26 -0.14 118.95 122.78 2jrr s ARG 15 Ca 0.05 -0.76 0.08 0.00 -0.47 0.00 0.00 55.73 54.62 2jrr s ARG 15 Cb 0.07 -2.80 -0.03 0.00 -0.57 0.00 0.00 34.95 31.62 2jrr s ARG 15 CO 0.72 -0.23 -0.23 0.08 -1.08 0.00 0.00 175.30 174.57 2jrr s VAL 16 N 1.37 2.39 -0.42 4.99 1.01 -0.56 -4.93 120.40 124.25 2jrr s VAL 16 Ca 0.05 -1.15 -0.19 0.00 0.00 0.00 0.00 61.98 60.69 2jrr s VAL 16 Cb -0.14 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.35 2jrr s VAL 16 CO -0.08 0.47 0.53 0.00 0.00 0.00 0.00 175.10 176.02 2jrr s ALA 17 N -0.75 3.40 -0.79 5.51 0.00 -1.26 -0.83 121.76 127.03 2jrr s ALA 17 Ca 0.12 -1.34 -0.22 0.00 0.00 0.00 0.00 51.96 50.52 2jrr s ALA 17 Cb -0.10 -3.16 0.08 0.00 0.00 0.00 0.00 23.12 19.94 2jrr s ALA 17 CO 0.01 -1.64 1.10 0.00 0.00 0.00 0.00 175.76 175.23 2jrr n ASP 19 N 7.65 0.00 0.00 0.00 8.00 -1.26 -3.43 116.55 127.50 2jrr n ASP 19 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.60 2jrr n ASP 19 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 2jrr n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jrr n GLY 20 N 2.50 -2.82 0.00 0.44 0.00 -1.26 -0.08 105.19 103.97 2jrr n GLY 20 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2jrr n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jrr n GLY 21 N -0.92 1.55 3.83 -0.02 0.00 -1.24 -4.80 105.19 103.59 2jrr n GLY 21 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2jrr n GLY 21 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jrr s GLU 22 N 0.22 2.19 0.25 1.61 8.01 -1.26 -4.74 118.70 124.97 2jrr s GLU 22 Ca 0.00 0.53 -0.09 0.00 0.01 0.00 0.00 54.97 55.41 2jrr s GLU 22 Cb 0.00 -1.94 0.39 0.00 -4.31 0.00 0.00 34.13 28.27 2jrr s GLU 22 CO 0.00 -1.52 1.60 0.78 0.01 0.00 0.00 175.26 176.12 2jrr h GLY 23 N -1.01 0.68 1.81 -1.39 0.00 -1.96 0.39 103.07 101.58 2jrr h GLY 23 Ca -0.47 0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 2jrr h GLY 23 CO 0.61 -0.32 -0.01 0.00 0.00 0.00 0.00 176.54 176.82 2jrr h ALA 24 N 1.81 1.68 -0.03 3.60 0.00 -2.02 -1.45 119.26 122.86 2jrr h ALA 24 Ca 0.41 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2jrr h ALA 24 Cb 0.66 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2jrr h ALA 24 CO -0.82 0.24 0.00 1.28 0.00 0.00 0.00 179.25 179.95 2jrr n LEU 25 N -4.39 1.57 -4.86 0.00 4.77 0.11 -4.93 117.00 109.26 2jrr n LEU 25 Ca -0.00 -0.53 -0.30 0.00 -0.03 0.00 0.00 56.01 55.14 2jrr n LEU 25 Cb 0.17 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 2jrr n LEU 25 CO 0.36 0.27 0.75 -0.83 -1.33 0.00 0.00 177.39 176.61 2jrr s GLY 26 N -1.97 1.62 0.06 -0.72 0.00 0.19 -3.63 107.32 102.86 2jrr s GLY 26 Ca 0.37 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.74 2jrr s GLY 26 CO 0.33 0.05 -0.04 0.30 0.00 0.00 0.00 173.10 173.73 2jrr s HIS 27 N -3.34 0.58 0.00 1.90 3.76 0.89 -4.88 115.29 114.20 2jrr s HIS 27 Ca 0.59 -0.90 0.00 0.00 -0.15 0.00 0.00 55.06 54.61 2jrr s HIS 27 Cb -0.12 -0.39 0.00 0.00 1.11 0.00 0.00 32.58 33.18 2jrr s HIS 27 CO 0.52 -0.27 0.70 -0.35 -0.85 0.00 0.00 174.74 174.49 2jrr n PRO 28 N 0.43 0.61 -1.69 8.40 -0.04 -1.26 -4.75 135.00 136.70 2jrr n PRO 28 Ca -0.16 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.29 2jrr n PRO 28 Cb 0.59 -1.19 -0.01 0.00 -0.04 0.00 0.00 33.50 32.85 2jrr n PRO 28 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2jrr n ARG 29 N 0.84 -0.74 -5.18 0.54 0.00 -1.26 -5.08 116.66 105.78 2jrr n ARG 29 Ca 0.00 0.98 -0.32 0.00 -0.00 0.00 0.00 57.85 58.51 2jrr n ARG 29 Cb 0.31 -1.69 -0.17 0.00 0.00 0.00 0.00 32.46 30.90 2jrr n ARG 29 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2jrr s VAL 30 N -0.14 2.03 -0.23 5.15 1.01 -1.22 -5.00 120.40 122.00 2jrr s VAL 30 Ca -0.04 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 60.86 2jrr s VAL 30 Cb 0.00 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 2jrr s VAL 30 CO 0.13 0.55 0.09 0.26 0.00 0.00 0.00 175.10 176.13 2jrr s TRP 31 N 0.36 3.17 0.07 5.22 0.52 -1.26 -0.05 118.94 126.98 2jrr s TRP 31 Ca -0.19 -0.12 0.02 0.00 0.02 0.00 0.00 56.10 55.83 2jrr s TRP 31 Cb -0.18 -2.19 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 2jrr s TRP 31 CO 0.09 -0.11 0.14 -0.51 0.02 0.00 0.00 176.95 176.57 2jrr s LEU 32 N 1.11 4.05 -0.27 2.99 1.02 -0.01 -4.93 118.68 122.64 2jrr s LEU 32 Ca 0.05 0.12 0.03 0.00 0.02 0.00 0.00 54.13 54.34 2jrr s LEU 32 Cb -0.14 -2.68 0.06 0.00 0.02 0.00 0.00 46.19 43.45 2jrr s LEU 32 CO 0.04 0.17 -0.09 -1.58 0.02 0.00 0.00 176.35 174.91 2jrr s GLN 33 N -2.42 2.13 0.20 1.70 2.00 -1.26 -1.50 119.66 120.51 2jrr s GLN 33 Ca 0.32 -1.38 -0.32 0.00 -2.00 0.00 0.00 55.36 51.98 2jrr s GLN 33 Cb -0.13 -2.90 -0.12 0.00 0.80 0.00 0.00 33.01 30.67 2jrr s GLN 33 CO 0.24 -0.61 1.73 0.42 -0.50 0.00 0.00 175.29 176.57 2jrr s ILE 34 N 1.10 2.12 -0.23 -2.34 1.01 0.81 -4.96 121.20 118.70 2jrr s ILE 34 Ca -0.07 0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.34 2jrr s ILE 34 Cb -0.20 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.25 2jrr s ILE 34 CO -0.05 0.00 1.11 -2.16 0.00 0.00 0.00 174.94 173.84 2jrr s PRO 35 N 1.35 4.21 0.26 2.79 0.04 -1.26 -4.95 135.00 137.45 2jrr s PRO 35 Ca 0.75 1.39 -0.02 0.00 0.04 0.00 0.00 61.00 63.16 2jrr s PRO 35 Cb -0.49 -3.70 0.42 0.00 0.04 0.00 0.00 34.50 30.77 2jrr s PRO 35 CO 0.32 -0.71 1.87 0.93 0.04 0.00 0.00 177.00 179.45 2jrr h GLU 36 N 7.83 1.08 -0.00 4.56 3.07 -1.94 -1.45 114.58 127.72 2jrr h GLU 36 Ca -0.21 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 2jrr h GLU 36 Cb 1.07 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 2jrr h GLU 36 CO 0.99 0.71 0.00 -3.47 -1.40 0.00 0.00 179.01 175.84 2jrr n ASP 37 N -4.55 0.17 -0.09 1.42 2.03 -1.26 -3.27 116.55 111.01 2jrr n ASP 37 Ca 0.16 -1.13 -0.16 0.00 0.52 0.00 0.00 54.79 54.17 2jrr n ASP 37 Cb 0.22 -0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.54 2jrr n ASP 37 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2jrr n THR 38 N -0.83 0.98 0.00 5.18 -2.24 -0.68 -5.04 114.28 111.65 2jrr n THR 38 Ca 0.22 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2jrr n THR 38 Cb 0.13 -1.50 0.00 0.00 -2.10 0.00 0.00 70.33 66.86 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 2.18 0.55 3.40 3.38 0.00 -0.63 -4.64 105.19 109.42 2jrr n GLY 39 Ca -0.33 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.44 -0.00 1.61 1.48 -1.26 -0.87 118.94 117.46 2jrr s TRP 40 Ca 0.00 0.35 0.02 0.00 -1.06 0.00 0.00 56.10 55.41 2jrr s TRP 40 Cb 0.00 0.41 -0.00 0.00 -1.16 0.00 0.00 33.47 32.71 2jrr s TRP 40 CO 0.00 -0.72 -0.06 0.54 -4.06 0.00 0.00 176.95 172.65 2jrr s VAL 41 N -3.09 0.46 -0.15 -0.66 0.11 -0.47 -4.29 120.40 112.32 2jrr s VAL 41 Ca -0.02 -0.25 -0.05 0.00 -2.93 0.00 0.00 61.98 58.73 2jrr s VAL 41 Cb -0.00 -0.39 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 2jrr s VAL 41 CO -0.07 0.13 0.01 -0.70 -3.33 0.00 0.00 175.10 171.14 2jrr s GLU 42 N -0.13 3.68 -0.21 1.54 2.12 -1.26 -0.45 118.70 123.99 2jrr s GLU 42 Ca 0.02 -0.43 -0.23 0.00 0.36 0.00 0.00 54.97 54.69 2jrr s GLU 42 Cb -0.02 -3.01 -0.01 0.00 0.26 0.00 0.00 34.13 31.34 2jrr s GLU 42 CO -0.00 0.34 0.76 0.00 -0.54 0.00 0.00 175.26 175.82 2jrr n PRO 44 N 5.49 0.12 -0.12 0.00 -0.04 -1.26 0.01 135.00 139.20 2jrr n PRO 44 Ca 0.03 0.24 -0.17 0.00 -0.04 0.00 0.00 63.50 63.55 2jrr n PRO 44 Cb 0.49 -1.69 -0.12 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.91 0.07 0.10 0.54 4.01 -1.26 -4.63 117.16 114.09 2jrr n TYR 45 Ca 0.04 0.02 0.02 0.00 -0.16 0.00 0.00 57.90 57.82 2jrr n TYR 45 Cb 0.29 -1.01 0.03 0.00 -0.31 0.00 0.00 39.34 38.34 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 0.12 -4.29 -4.87 0.00 9.92 0.10 -4.95 116.55 112.58 2jrr n ASP 47 Ca 0.03 0.23 -0.35 0.00 -0.53 0.00 0.00 54.79 54.17 2jrr n ASP 47 Cb 0.15 -3.74 -0.05 0.00 -0.64 0.00 0.00 41.12 36.84 2jrr n ASP 47 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jrr s LYS 49 N -1.82 2.35 -0.42 0.00 2.20 -0.12 -0.51 119.74 121.42 2jrr s LYS 49 Ca 0.30 -1.43 -0.21 0.00 -0.36 0.00 0.00 55.97 54.27 2jrr s LYS 49 Cb -0.14 -3.41 0.02 0.00 -1.51 0.00 0.00 37.83 32.79 2jrr s LYS 49 CO 0.17 -0.79 0.66 0.71 -0.36 0.00 0.00 175.35 175.73 2jrr s TYR 50 N 1.27 3.08 -0.12 4.03 2.02 0.41 -0.79 117.35 127.25 2jrr s TYR 50 Ca 0.00 0.06 -0.15 0.00 -0.37 0.00 0.00 57.07 56.62 2jrr s TYR 50 Cb -0.21 -3.33 -0.05 0.00 -0.40 0.00 0.00 41.96 37.97 2jrr s TYR 50 CO -0.01 -0.82 0.35 0.08 -1.57 0.00 0.00 175.55 173.58 2jrr s VAL 51 N 2.84 5.24 -0.33 0.71 1.01 0.64 -1.37 120.40 129.13 2jrr s VAL 51 Ca 0.24 0.68 -0.27 0.00 0.00 0.00 0.00 61.98 62.62 2jrr s VAL 51 Cb -0.14 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.58 2jrr s VAL 51 CO 0.18 0.43 0.98 -0.22 0.00 0.00 0.00 175.10 176.48 2jrr s LEU 52 N 0.10 3.97 -0.24 3.92 2.96 -0.05 -0.86 118.68 128.48 2jrr s LEU 52 Ca 0.20 0.84 -0.29 0.00 -0.22 0.00 0.00 54.13 54.66 2jrr s LEU 52 Cb -0.14 -3.38 -0.03 0.00 0.50 0.00 0.00 46.19 43.14 2jrr s LEU 52 CO 0.07 -0.84 1.78 -0.75 -1.32 0.00 0.00 176.35 175.29 2jrr s LYS 53 N 3.50 3.58 0.00 1.98 2.36 0.13 -1.66 119.74 129.63 2jrr s LYS 53 Ca 0.41 1.69 0.00 0.00 -2.55 0.00 0.00 55.97 55.52 2jrr s LYS 53 Cb -0.12 -4.14 0.00 0.00 -1.05 0.00 0.00 37.83 32.52 2jrr s LYS 53 CO 0.16 -1.56 0.00 0.41 1.55 0.00 0.00 175.35 175.91 2jrr n GLY 54 N 5.06 0.95 3.95 5.54 0.00 -1.26 -4.83 105.19 114.60 2jrr n GLY 54 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 2jrr n GLY 54 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jrr s SER 55 N -1.38 3.01 0.23 1.61 0.15 -0.66 -4.91 113.70 111.73 2jrr s SER 55 Ca 0.00 0.04 -0.07 0.00 0.70 0.00 0.00 55.95 56.62 2jrr s SER 55 Cb 0.00 -0.03 0.34 0.00 -1.71 0.00 0.00 66.02 64.62 2jrr s SER 55 CO 0.00 -2.78 1.79 0.07 1.20 0.00 0.00 173.24 173.52 2jrr h LYS 56 N -1.59 0.62 0.00 5.44 2.10 -1.88 -1.10 116.57 120.17 2jrr h LYS 56 Ca -0.42 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.17 2jrr h LYS 56 Cb 1.22 -0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 32.41 2jrr h LYS 56 CO 0.32 0.41 -0.08 0.00 -2.00 0.00 0.00 179.45 178.10 2jrr h ALA 57 N 1.43 1.12 0.00 0.07 0.00 -1.91 -2.51 119.26 117.46 2jrr h ALA 57 Ca 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2jrr h ALA 57 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2jrr h ALA 57 CO -0.26 0.11 0.00 0.22 0.00 0.00 0.00 179.25 179.32 2jrr h ASP 58 N 0.00 0.00 -0.10 0.00 3.58 -1.48 -3.39 116.42 115.03 2jrr h ASP 58 Ca -0.00 0.00 -0.62 0.00 0.42 0.00 0.00 57.03 56.83 2jrr h ASP 58 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2jrr h ASP 58 CO 0.01 0.00 3.22 0.00 -2.88 0.00 0.00 179.24 179.59 2jrr n ALA 59 N -2.07 7.38 -1.05 -0.78 0.00 -0.95 -4.92 120.51 118.12 2jrr n ALA 59 Ca 0.04 -3.37 -0.30 0.00 0.00 0.00 0.00 53.44 49.82 2jrr n ALA 59 Cb 0.52 -3.20 0.23 0.00 0.00 0.00 0.00 19.45 17.00 2jrr n ALA 59 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2jrr s LEU 60 N -0.06 0.83 -0.19 0.00 0.05 -1.26 -4.98 118.68 113.06 2jrr s LEU 60 Ca 0.68 0.80 -0.24 0.00 0.05 0.00 0.00 54.13 55.42 2jrr s LEU 60 Cb 0.20 -2.64 -0.01 0.00 -2.05 0.00 0.00 46.19 41.69 2jrr s LEU 60 CO -0.06 -3.95 0.79 -1.83 -0.55 0.00 0.00 176.35 170.75 2jrr s GLU 61 N -5.25 4.25 -0.38 1.48 -1.05 -1.26 -4.95 118.70 111.54 2jrr s GLU 61 Ca 0.69 0.91 -0.02 0.00 -0.15 0.00 0.00 54.97 56.41 2jrr s GLU 61 Cb -0.13 -3.59 0.19 0.00 -0.44 0.00 0.00 34.13 30.17 2jrr s GLU 61 CO 0.57 -0.35 0.91 -1.58 0.95 0.00 0.00 175.26 175.75 2jrr s HIS 62 N 2.25 -0.90 0.31 4.83 2.46 -1.26 -5.18 115.29 117.81 2jrr s HIS 62 Ca 0.35 -0.06 0.02 0.00 0.47 0.00 0.00 55.06 55.85 2jrr s HIS 62 Cb -0.16 0.17 -0.02 0.00 -0.13 0.00 0.00 32.58 32.44 2jrr s HIS 62 CO 0.11 -0.65 0.32 -3.38 -2.47 0.00 0.00 174.74 168.67 2jrr s HIS 63 N 1.48 1.41 0.23 3.88 -3.43 -1.26 -5.18 115.29 112.42 2jrr s HIS 63 Ca 0.20 -1.48 -0.04 0.00 -0.80 0.00 0.00 55.06 52.95 2jrr s HIS 63 Cb 0.03 -0.47 -0.03 0.00 -1.43 0.00 0.00 32.58 30.69 2jrr s HIS 63 CO -0.10 -0.92 0.25 -3.38 -2.00 0.00 0.00 174.74 168.58 2jrr s HIS 64 N -3.45 0.98 -0.88 0.38 -3.43 -1.26 -5.08 115.29 102.55 2jrr s HIS 64 Ca 0.37 -1.22 -0.25 0.00 -0.80 0.00 0.00 55.06 53.16 2jrr s HIS 64 Cb 0.02 -0.35 -0.05 0.00 -1.43 0.00 0.00 32.58 30.77 2jrr s HIS 64 CO 0.22 -0.77 1.97 -1.01 -2.00 0.00 0.00 174.74 173.16 2jrr s HIS 65 N -4.03 1.76 -0.13 0.38 3.76 -1.26 -4.63 115.29 111.13 2jrr s HIS 65 Ca 0.34 0.73 0.21 0.00 -0.15 0.00 0.00 55.06 56.20 2jrr s HIS 65 Cb 0.04 -4.01 -0.18 0.00 1.11 0.00 0.00 32.58 29.55 2jrr s HIS 65 CO 0.12 -1.76 0.71 1.58 -0.85 0.00 0.00 174.74 174.54 2jrr n HIS 66 N 14.23 0.49 0.39 1.40 -0.00 -1.26 -5.38 115.22 125.08 2jrr n HIS 66 Ca 0.40 0.15 0.05 0.00 -0.00 0.00 0.00 57.72 58.31 2jrr n HIS 66 Cb 0.47 -0.78 0.04 0.00 -0.00 0.00 0.00 29.99 29.72 2jrr n HIS 66 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06