#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 3.95 -0.99 3.17 -4.23 -1.26 -4.92 115.64 111.35 2jrr s THR 2 Ca 0.00 1.46 -0.15 0.00 -1.18 0.00 0.00 61.69 61.81 2jrr s THR 2 Cb 0.00 -3.93 -0.09 0.00 1.34 0.00 0.00 72.50 69.82 2jrr s THR 2 CO 0.00 0.15 2.10 2.30 -0.54 0.00 0.00 174.62 178.63 2jrr n ILE 3 N 3.55 2.45 0.87 2.99 -5.35 -1.26 -4.73 119.36 117.89 2jrr n ILE 3 Ca 0.08 -1.87 0.00 0.00 -0.27 0.00 0.00 62.75 60.69 2jrr n ILE 3 Cb 0.46 -2.34 0.03 0.00 -1.74 0.00 0.00 39.64 36.05 2jrr n ILE 3 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jrr n GLN 4 N 5.83 1.25 -0.03 6.28 10.64 -1.26 -4.10 117.38 135.99 2jrr n GLN 4 Ca 0.51 -0.21 -0.15 0.00 -1.83 0.00 0.00 57.00 55.32 2jrr n GLN 4 Cb 0.31 -1.53 -0.11 0.00 -0.86 0.00 0.00 30.24 28.06 2jrr n GLN 4 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2jrr h ALA 5 N 2.12 0.06 -0.50 2.61 0.00 -2.04 -3.45 119.26 118.07 2jrr h ALA 5 Ca 0.00 -0.45 -0.47 0.00 0.00 0.00 0.00 54.91 54.00 2jrr h ALA 5 Cb 0.62 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 2jrr h ALA 5 CO 0.03 0.09 1.69 -2.30 0.00 0.00 0.00 179.25 178.77 2jrr n PRO 6 N -4.50 0.34 -0.50 0.00 -0.02 -1.26 -4.77 135.00 124.28 2jrr n PRO 6 Ca -0.09 -0.03 0.01 0.00 -2.02 0.00 0.00 63.50 61.37 2jrr n PRO 6 Cb 0.49 -2.14 0.19 0.00 -0.02 0.00 0.00 33.50 32.02 2jrr n PRO 6 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2jrr n GLU 7 N 8.51 2.82 -5.21 -0.52 0.28 -1.26 -4.91 120.64 120.33 2jrr n GLU 7 Ca 0.57 -1.64 -0.31 0.00 -0.16 0.00 0.00 57.16 55.61 2jrr n GLU 7 Cb 0.21 -1.86 -0.16 0.00 1.43 0.00 0.00 31.44 31.06 2jrr n GLU 7 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2jrr s THR 8 N -1.89 2.24 -0.04 3.84 2.01 -1.26 -2.22 115.64 118.32 2jrr s THR 8 Ca 0.29 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 61.28 2jrr s THR 8 Cb 0.22 -1.81 0.02 0.00 0.01 0.00 0.00 72.50 70.95 2jrr s THR 8 CO 0.08 0.58 -0.04 -0.54 -0.69 0.00 0.00 174.62 174.01 2jrr s LYS 9 N -0.43 0.74 -0.27 4.92 1.02 0.29 -4.97 119.74 121.03 2jrr s LYS 9 Ca 0.05 -0.08 -0.23 0.00 0.02 0.00 0.00 55.97 55.72 2jrr s LYS 9 Cb -0.12 -0.77 -0.01 0.00 -0.52 0.00 0.00 37.83 36.42 2jrr s LYS 9 CO 0.01 -0.08 0.78 0.42 -0.92 0.00 0.00 175.35 175.56 2jrr s ILE 10 N 0.90 4.85 0.31 2.17 1.01 -1.26 0.02 121.20 129.20 2jrr s ILE 10 Ca -0.11 1.34 0.08 0.00 0.00 0.00 0.00 60.65 61.96 2jrr s ILE 10 Cb -0.14 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 2jrr s ILE 10 CO -0.00 -0.12 0.17 0.68 0.00 0.00 0.00 174.94 175.66 2jrr s VAL 11 N 2.83 3.46 -0.17 2.92 -7.23 0.54 -4.93 120.40 117.80 2jrr s VAL 11 Ca 0.32 -1.60 0.21 0.00 -1.81 0.00 0.00 61.98 59.10 2jrr s VAL 11 Cb -0.15 -3.08 -0.10 0.00 0.56 0.00 0.00 36.38 33.62 2jrr s VAL 11 CO 0.10 -0.24 0.87 0.47 -0.31 0.00 0.00 175.10 175.98 2jrr n ASP 12 N -1.17 0.67 -4.37 4.85 8.00 -1.26 -0.72 116.55 122.55 2jrr n ASP 12 Ca -0.04 0.27 -0.26 0.00 0.71 0.00 0.00 54.79 55.46 2jrr n ASP 12 Cb 0.60 0.69 -0.12 0.00 -0.02 0.00 0.00 41.12 42.26 2jrr n ASP 12 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2jrr s LYS 13 N -3.28 1.37 0.53 -1.24 1.02 -1.26 -4.67 119.74 112.21 2jrr s LYS 13 Ca -0.03 -1.38 0.31 0.00 0.02 0.00 0.00 55.97 54.90 2jrr s LYS 13 Cb 0.10 -1.72 1.28 0.00 -0.52 0.00 0.00 37.83 36.97 2jrr s LYS 13 CO 0.82 0.39 1.96 0.77 -0.92 0.00 0.00 175.35 178.36 2jrr h SER 14 N 3.62 0.00 -3.59 2.83 0.02 -1.93 -3.41 113.55 111.08 2jrr h SER 14 Ca -0.48 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 59.86 2jrr h SER 14 Cb 1.19 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.61 2jrr h SER 14 CO 0.43 0.05 0.39 -0.13 -1.14 0.00 0.00 176.83 176.44 2jrr s ARG 15 N -3.69 3.56 -0.26 3.45 0.52 -1.26 -1.55 118.95 119.73 2jrr s ARG 15 Ca 0.01 0.10 -0.03 0.00 -0.52 0.00 0.00 55.73 55.29 2jrr s ARG 15 Cb 0.09 -3.88 0.02 0.00 0.52 0.00 0.00 34.95 31.70 2jrr s ARG 15 CO 0.56 -1.02 -0.02 0.08 0.02 0.00 0.00 175.30 174.92 2jrr s VAL 16 N 3.27 3.22 -0.35 3.52 1.01 -0.53 -4.93 120.40 125.61 2jrr s VAL 16 Ca 0.31 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 61.26 2jrr s VAL 16 Cb -0.12 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 2jrr s VAL 16 CO 0.21 0.20 0.45 0.00 0.00 0.00 0.00 175.10 175.96 2jrr s ALA 17 N 1.39 3.48 -0.15 5.51 0.00 -1.26 -0.29 121.76 130.45 2jrr s ALA 17 Ca 0.02 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 2jrr s ALA 17 Cb -0.16 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 2jrr s ALA 17 CO -0.03 -1.16 -0.12 0.00 0.00 0.00 0.00 175.76 174.45 2jrr n ASP 19 N 3.78 0.00 0.00 0.00 9.92 -1.26 -1.09 116.55 127.90 2jrr n ASP 19 Ca -0.18 0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 2jrr n ASP 19 Cb 0.52 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.83 2jrr n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jrr n GLY 20 N 2.28 -0.54 0.00 0.44 0.00 -1.25 -2.20 105.19 103.91 2jrr n GLY 20 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 0.87 0.00 -0.02 0.00 0.96 -4.98 105.19 102.02 2jrr n GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jrr n GLY 21 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jrr n GLU 22 N 0.00 0.26 -0.25 1.61 -0.58 -1.25 -4.78 120.64 115.65 2jrr n GLU 22 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 2jrr n GLU 22 Cb 0.00 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 30.90 2jrr n GLU 22 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2jrr h GLY 23 N 0.00 0.08 -3.40 0.62 0.00 -2.01 0.12 103.07 98.48 2jrr h GLY 23 Ca 0.00 0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.72 2jrr h GLY 23 CO 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 176.54 176.34 2jrr n ALA 24 N -3.24 3.86 0.00 3.60 0.00 -1.26 -4.92 120.51 118.55 2jrr n ALA 24 Ca 0.07 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 51.70 2jrr n ALA 24 Cb 0.37 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2jrr n ALA 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jrr n LEU 25 N 0.52 0.00 0.00 0.00 4.77 0.40 -4.79 117.00 117.91 2jrr n LEU 25 Ca 0.27 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2jrr n LEU 25 Cb 1.15 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 42.24 2jrr n LEU 25 CO 0.31 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2jrr n GLY 26 N -1.60 1.26 3.14 -0.72 0.00 -1.26 -0.02 105.19 105.97 2jrr n GLY 26 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 46.02 45.41 2jrr n GLY 26 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jrr s HIS 27 N 0.00 -1.71 -0.74 1.61 -3.43 -0.94 -5.04 115.29 105.04 2jrr s HIS 27 Ca 0.00 1.33 -0.24 0.00 -0.80 0.00 0.00 55.06 55.35 2jrr s HIS 27 Cb 0.00 0.41 -0.15 0.00 -1.43 0.00 0.00 32.58 31.41 2jrr s HIS 27 CO 0.00 -0.99 2.41 -2.30 -2.00 0.00 0.00 174.74 171.86 2jrr n PRO 28 N 5.42 0.59 -1.25 -0.38 -0.02 -1.26 -4.06 135.00 134.05 2jrr n PRO 28 Ca 0.02 -0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.05 2jrr n PRO 28 Cb 0.52 -3.16 0.00 0.00 -0.02 0.00 0.00 33.50 30.85 2jrr n PRO 28 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2jrr n ARG 29 N 8.45 0.00 -4.38 -0.52 0.00 -1.24 -4.99 116.66 113.99 2jrr n ARG 29 Ca 0.48 0.46 -0.21 0.00 -0.00 0.00 0.00 57.85 58.58 2jrr n ARG 29 Cb 0.40 -0.79 -0.16 0.00 0.00 0.00 0.00 32.46 31.91 2jrr n ARG 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2jrr s VAL 30 N 0.00 0.80 -0.18 5.15 0.11 -0.25 -4.94 120.40 121.08 2jrr s VAL 30 Ca 0.00 -0.33 -0.09 0.00 -2.93 0.00 0.00 61.98 58.63 2jrr s VAL 30 Cb 0.00 -0.74 -0.05 0.00 -1.53 0.00 0.00 36.38 34.07 2jrr s VAL 30 CO 0.00 0.26 0.13 0.26 -3.33 0.00 0.00 175.10 172.42 2jrr s TRP 31 N 0.48 3.45 0.28 1.54 0.52 -1.26 -0.39 118.94 123.56 2jrr s TRP 31 Ca -0.08 0.37 0.10 0.00 0.02 0.00 0.00 56.10 56.52 2jrr s TRP 31 Cb -0.12 -2.10 -0.05 0.00 -1.15 0.00 0.00 33.47 30.05 2jrr s TRP 31 CO 0.01 0.40 -0.06 -0.51 0.02 0.00 0.00 176.95 176.81 2jrr s LEU 32 N 0.01 2.97 -0.14 2.99 1.02 0.60 -4.94 118.68 121.19 2jrr s LEU 32 Ca 0.10 -0.82 0.02 0.00 0.02 0.00 0.00 54.13 53.44 2jrr s LEU 32 Cb -0.11 -1.46 0.01 0.00 0.02 0.00 0.00 46.19 44.64 2jrr s LEU 32 CO -0.00 -0.03 -0.21 -1.58 0.02 0.00 0.00 176.35 174.54 2jrr s GLN 33 N -3.63 3.04 0.06 1.70 2.00 -1.26 -1.46 119.66 120.12 2jrr s GLN 33 Ca 0.32 -0.84 -0.30 0.00 -2.00 0.00 0.00 55.36 52.54 2jrr s GLN 33 Cb -0.05 -2.47 -0.05 0.00 0.80 0.00 0.00 33.01 31.25 2jrr s GLN 33 CO 0.18 -0.02 0.99 0.42 -0.50 0.00 0.00 175.29 176.37 2jrr s ILE 34 N 0.84 4.60 -0.30 -2.34 1.01 -0.59 -4.93 121.20 119.49 2jrr s ILE 34 Ca -0.06 2.00 -0.27 0.00 0.00 0.00 0.00 60.65 62.31 2jrr s ILE 34 Cb -0.15 -4.28 0.01 0.00 0.01 0.00 0.00 42.46 38.05 2jrr s ILE 34 CO -0.02 0.23 0.98 -2.16 0.00 0.00 0.00 174.94 173.97 2jrr s PRO 35 N 0.51 4.07 0.41 2.79 0.04 -1.26 -4.95 135.00 136.62 2jrr s PRO 35 Ca 0.50 0.98 0.07 0.00 0.04 0.00 0.00 61.00 62.60 2jrr s PRO 35 Cb -0.23 -3.72 0.87 0.00 0.04 0.00 0.00 34.50 31.46 2jrr s PRO 35 CO 0.29 -0.78 2.06 1.49 0.04 0.00 0.00 177.00 180.09 2jrr h GLU 36 N 7.98 0.50 -0.08 4.56 4.81 -1.95 0.81 114.58 131.21 2jrr h GLU 36 Ca -0.21 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 2jrr h GLU 36 Cb 1.07 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 2jrr h GLU 36 CO 0.98 0.35 -0.06 0.38 -0.73 0.00 0.00 179.01 179.92 2jrr h ASP 37 N 0.52 0.10 0.01 1.04 2.03 -1.98 -3.07 116.42 115.06 2jrr h ASP 37 Ca 0.14 -0.01 -0.28 0.00 -0.73 0.00 0.00 57.03 56.14 2jrr h ASP 37 Cb -0.04 -0.03 -0.04 0.00 -0.83 0.00 0.00 39.33 38.40 2jrr h ASP 37 CO -0.03 0.19 -1.54 0.35 -1.03 0.00 0.00 179.24 177.17 2jrr n THR 38 N -4.40 1.56 0.00 1.15 -2.24 -0.87 -5.00 114.28 104.48 2jrr n THR 38 Ca -0.02 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2jrr n THR 38 Cb 0.18 -1.98 0.00 0.00 -2.10 0.00 0.00 70.33 66.43 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 1.47 0.62 3.46 3.38 0.00 0.22 -4.32 105.19 110.04 2jrr n GLY 39 Ca -0.36 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.57 0.07 1.61 1.48 -1.25 -0.49 118.94 117.79 2jrr s TRP 40 Ca 0.00 0.81 0.05 0.00 -1.06 0.00 0.00 56.10 55.90 2jrr s TRP 40 Cb 0.00 0.41 -0.03 0.00 -1.16 0.00 0.00 33.47 32.69 2jrr s TRP 40 CO 0.00 -0.65 -0.13 0.54 -4.06 0.00 0.00 176.95 172.65 2jrr s VAL 41 N -1.91 1.02 -0.10 -0.66 0.11 -0.18 -4.43 120.40 114.24 2jrr s VAL 41 Ca -0.08 -1.31 0.03 0.00 -2.93 0.00 0.00 61.98 57.69 2jrr s VAL 41 Cb -0.01 -1.04 -0.01 0.00 -1.53 0.00 0.00 36.38 33.79 2jrr s VAL 41 CO 0.03 -0.28 -0.19 -1.83 -3.33 0.00 0.00 175.10 169.50 2jrr s GLU 42 N -1.83 3.08 -0.46 1.54 1.03 -1.26 -0.81 118.70 119.99 2jrr s GLU 42 Ca -0.02 -0.79 -0.27 0.00 0.03 0.00 0.00 54.97 53.91 2jrr s GLU 42 Cb -0.09 -2.42 0.03 0.00 -0.80 0.00 0.00 34.13 30.85 2jrr s GLU 42 CO 0.02 0.25 1.02 0.00 -1.33 0.00 0.00 175.26 175.23 2jrr h PRO 44 N 9.08 0.00 -0.25 0.00 0.11 -1.98 0.44 132.00 139.41 2jrr h PRO 44 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2jrr h PRO 44 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2jrr h PRO 44 CO 1.07 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.52 2jrr n TYR 45 N -4.06 0.73 -0.59 0.65 4.01 -1.26 -4.49 117.16 112.15 2jrr n TYR 45 Ca -0.01 -0.80 0.00 0.00 -0.16 0.00 0.00 57.90 56.93 2jrr n TYR 45 Cb 0.17 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 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 0.00 -4.46 -4.77 0.00 8.00 0.15 -4.96 116.55 110.51 2jrr n ASP 47 Ca 0.00 0.26 -0.36 0.00 0.71 0.00 0.00 54.79 55.40 2jrr n ASP 47 Cb 0.07 -3.91 -0.08 0.00 -0.02 0.00 0.00 41.12 37.18 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 -0.71 3.54 -0.15 0.00 2.20 -0.94 -0.96 119.74 122.72 2jrr s LYS 49 Ca 0.12 -0.54 0.01 0.00 -0.36 0.00 0.00 55.97 55.19 2jrr s LYS 49 Cb -0.12 -3.13 -0.00 0.00 -1.51 0.00 0.00 37.83 33.07 2jrr s LYS 49 CO 0.03 -0.13 -0.17 0.71 -0.36 0.00 0.00 175.35 175.43 2jrr s TYR 50 N 1.37 2.76 -0.03 4.03 2.02 0.01 -0.55 117.35 126.96 2jrr s TYR 50 Ca 0.05 -1.07 -0.13 0.00 -0.37 0.00 0.00 57.07 55.54 2jrr s TYR 50 Cb -0.15 -1.87 -0.05 0.00 -0.40 0.00 0.00 41.96 39.49 2jrr s TYR 50 CO 0.01 -0.48 0.36 0.08 -1.57 0.00 0.00 175.55 173.94 2jrr s VAL 51 N 0.77 5.13 -0.27 0.71 1.01 0.10 -1.01 120.40 126.85 2jrr s VAL 51 Ca -0.06 0.72 -0.23 0.00 0.00 0.00 0.00 61.98 62.41 2jrr s VAL 51 Cb -0.15 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 2jrr s VAL 51 CO 0.00 0.57 0.75 -0.22 0.00 0.00 0.00 175.10 176.20 2jrr s LEU 52 N -0.96 4.08 -0.10 3.92 2.96 0.36 -0.34 118.68 128.59 2jrr s LEU 52 Ca 0.22 0.80 -0.29 0.00 -0.22 0.00 0.00 54.13 54.64 2jrr s LEU 52 Cb -0.16 -3.04 -0.05 0.00 0.50 0.00 0.00 46.19 43.45 2jrr s LEU 52 CO 0.11 -0.49 1.65 -0.75 -1.32 0.00 0.00 176.35 175.54 2jrr s LYS 53 N 2.76 4.07 0.00 1.98 2.20 0.10 -2.16 119.74 128.69 2jrr s LYS 53 Ca 0.31 2.05 0.00 0.00 -0.36 0.00 0.00 55.97 57.97 2jrr s LYS 53 Cb -0.15 -4.00 0.00 0.00 -1.51 0.00 0.00 37.83 32.17 2jrr s LYS 53 CO 0.09 -0.98 0.00 0.41 -0.36 0.00 0.00 175.35 174.52 2jrr n GLY 54 N 4.27 0.70 3.90 5.54 0.00 -1.26 -4.91 105.19 113.43 2jrr n GLY 54 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2jrr n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jrr s SER 55 N -1.12 4.87 0.60 1.61 0.01 -0.92 -4.92 113.70 113.83 2jrr s SER 55 Ca 0.00 0.85 0.30 0.00 1.31 0.00 0.00 55.95 58.41 2jrr s SER 55 Cb 0.00 -1.48 1.79 0.00 0.21 0.00 0.00 66.02 66.54 2jrr s SER 55 CO 0.00 -1.66 2.20 0.07 0.41 0.00 0.00 173.24 174.25 2jrr h LYS 56 N -0.85 0.00 -0.19 12.44 2.10 -1.86 0.47 116.57 128.69 2jrr h LYS 56 Ca -0.45 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.11 2jrr h LYS 56 Cb 1.30 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.62 2jrr h LYS 56 CO 0.65 0.00 -0.25 0.00 -2.00 0.00 0.00 179.45 177.85 2jrr h ALA 57 N 1.89 1.24 0.00 0.07 0.00 -1.84 -2.21 119.26 118.41 2jrr h ALA 57 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2jrr h ALA 57 Cb 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2jrr h ALA 57 CO -0.00 0.50 0.00 -3.47 0.00 0.00 0.00 179.25 176.28 2jrr n ASP 58 N -4.15 0.00 -1.33 0.00 2.03 0.15 -4.11 116.55 109.15 2jrr n ASP 58 Ca -0.01 -0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.25 2jrr n ASP 58 Cb 0.38 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 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 -1.30 3.25 -0.71 -1.67 0.00 -0.83 -4.89 120.51 114.38 2jrr n ALA 59 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.27 2jrr n ALA 59 Cb 0.21 -1.05 0.20 0.00 0.00 0.00 0.00 19.45 18.82 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 0.00 1.75 0.11 0.00 0.05 -1.26 -4.72 118.68 114.61 2jrr s LEU 60 Ca 0.00 1.74 0.00 0.00 0.05 0.00 0.00 54.13 55.92 2jrr s LEU 60 Cb 0.00 -3.89 0.00 0.00 -2.05 0.00 0.00 46.19 40.25 2jrr s LEU 60 CO 0.00 -3.58 0.00 -1.84 -0.55 0.00 0.00 176.35 170.38 2jrr n GLU 61 N -4.52 -2.65 -0.62 1.48 0.28 -1.26 -4.71 120.64 108.63 2jrr n GLU 61 Ca 0.07 1.87 -0.05 0.00 -0.16 0.00 0.00 57.16 58.89 2jrr n GLU 61 Cb 0.54 -2.30 0.00 0.00 1.43 0.00 0.00 31.44 31.11 2jrr n GLU 61 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2jrr n HIS 62 N 1.59 0.41 0.11 -1.84 -0.00 -1.26 -4.11 115.22 110.13 2jrr n HIS 62 Ca 0.00 -1.27 0.09 0.00 -0.00 0.00 0.00 57.72 56.54 2jrr n HIS 62 Cb 0.00 -0.66 0.26 0.00 -0.00 0.00 0.00 29.99 29.60 2jrr n HIS 62 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jrr n HIS 63 N 1.22 0.82 -0.83 1.57 -0.00 -1.26 -5.04 115.22 111.70 2jrr n HIS 63 Ca 0.09 -0.40 0.00 0.00 -0.00 0.00 0.00 57.72 57.42 2jrr n HIS 63 Cb 0.53 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.50 2jrr n HIS 63 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jrr n HIS 64 N 1.17 -2.22 -3.15 1.57 8.25 -1.26 -5.07 115.22 114.52 2jrr n HIS 64 Ca 0.20 1.17 -0.21 0.00 -0.26 0.00 0.00 57.72 58.62 2jrr n HIS 64 Cb 0.52 -2.40 0.06 0.00 1.12 0.00 0.00 29.99 29.28 2jrr n HIS 64 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jrr s HIS 65 N -2.04 1.30 -0.82 4.41 0.09 -1.26 -5.01 115.29 111.97 2jrr s HIS 65 Ca 0.00 -0.77 -0.25 0.00 -0.00 0.00 0.00 55.06 54.04 2jrr s HIS 65 Cb 0.00 -2.15 -0.03 0.00 -0.00 0.00 0.00 32.58 30.40 2jrr s HIS 65 CO 0.00 -1.14 1.85 -1.01 -0.00 0.00 0.00 174.74 174.44 2jrr s HIS 66 N -2.71 1.84 -2.57 1.40 3.76 -1.26 -5.28 115.29 110.48 2jrr s HIS 66 Ca 0.59 0.53 0.27 0.00 -0.15 0.00 0.00 55.06 56.30 2jrr s HIS 66 Cb -0.05 -4.14 0.94 0.00 1.11 0.00 0.00 32.58 30.44 2jrr s HIS 66 CO 0.37 -1.94 1.68 -2.39 -0.85 0.00 0.00 174.74 171.61