#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 2.95 -0.13 2.03 -4.23 -1.26 -5.02 115.64 109.99 2jrr s THR 2 Ca 0.00 -1.71 0.18 0.00 -1.18 0.00 0.00 61.69 58.98 2jrr s THR 2 Cb 0.00 -2.44 -0.22 0.00 1.34 0.00 0.00 72.50 71.18 2jrr s THR 2 CO 0.00 -0.07 0.46 -0.38 -0.54 0.00 0.00 174.62 174.09 2jrr n ILE 3 N 0.23 1.10 0.00 2.99 5.41 -1.26 -5.00 119.36 122.83 2jrr n ILE 3 Ca -0.12 -0.73 0.00 0.00 1.00 0.00 0.00 62.75 62.90 2jrr n ILE 3 Cb 0.55 -0.54 0.00 0.00 -0.71 0.00 0.00 39.64 38.94 2jrr n ILE 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jrr n GLN 4 N -2.74 0.00 -2.39 0.38 6.02 -1.26 -4.86 117.38 112.52 2jrr n GLN 4 Ca -0.18 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.77 2jrr n GLN 4 Cb 0.94 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 32.17 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 0.45 -3.17 -1.57 -1.58 0.00 -1.26 -4.74 120.51 108.65 2jrr n ALA 5 Ca 0.00 1.67 -0.13 0.00 0.00 0.00 0.00 53.44 54.98 2jrr n ALA 5 Cb 0.00 -3.41 -0.08 0.00 0.00 0.00 0.00 19.45 15.96 2jrr n ALA 5 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2jrr s PRO 6 N -0.73 1.46 -0.20 0.00 0.02 -1.26 -4.88 135.00 129.41 2jrr s PRO 6 Ca -0.18 0.30 -0.42 0.00 0.02 0.00 0.00 61.00 60.72 2jrr s PRO 6 Cb 0.01 -4.82 -0.19 0.00 0.02 0.00 0.00 34.50 29.52 2jrr s PRO 6 CO 0.49 -4.74 1.42 0.39 -0.33 0.00 0.00 177.00 174.23 2jrr n GLU 7 N 8.67 0.43 -3.26 5.54 -0.58 -1.26 -4.43 120.64 125.75 2jrr n GLU 7 Ca 0.46 0.16 -0.39 0.00 -0.42 0.00 0.00 57.16 56.97 2jrr n GLU 7 Cb 0.44 -1.72 -0.06 0.00 -0.57 0.00 0.00 31.44 29.53 2jrr n GLU 7 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2jrr s THR 8 N 1.74 4.91 -0.16 2.62 2.01 -1.26 -0.44 115.64 125.06 2jrr s THR 8 Ca 0.96 1.17 -0.00 0.00 0.31 0.00 0.00 61.69 64.12 2jrr s THR 8 Cb -1.25 -3.89 0.04 0.00 0.01 0.00 0.00 72.50 67.41 2jrr s THR 8 CO 0.65 0.46 -0.08 -0.75 -0.69 0.00 0.00 174.62 174.21 2jrr s LYS 9 N -0.42 1.68 -0.41 4.92 2.20 0.60 -4.94 119.74 123.38 2jrr s LYS 9 Ca 0.29 -0.53 -0.24 0.00 -0.36 0.00 0.00 55.97 55.13 2jrr s LYS 9 Cb -0.18 -2.01 0.02 0.00 -1.51 0.00 0.00 37.83 34.15 2jrr s LYS 9 CO 0.17 -0.37 0.85 0.42 -0.36 0.00 0.00 175.35 176.06 2jrr s ILE 10 N 1.58 4.62 0.33 5.43 -1.09 -1.26 -0.56 121.20 130.25 2jrr s ILE 10 Ca 0.02 0.82 0.09 0.00 -2.23 0.00 0.00 60.65 59.35 2jrr s ILE 10 Cb -0.15 -4.32 -0.05 0.00 -1.58 0.00 0.00 42.46 36.37 2jrr s ILE 10 CO -0.08 -0.62 0.08 0.68 -1.23 0.00 0.00 174.94 173.77 2jrr s VAL 11 N 3.39 2.92 -1.27 2.92 -7.23 -0.18 -4.92 120.40 116.03 2jrr s VAL 11 Ca 0.34 -1.81 0.16 0.00 -1.81 0.00 0.00 61.98 58.86 2jrr s VAL 11 Cb -0.12 -2.90 -0.05 0.00 0.56 0.00 0.00 36.38 33.87 2jrr s VAL 11 CO 0.21 -0.21 0.80 0.47 -0.31 0.00 0.00 175.10 176.07 2jrr n ASP 12 N -1.06 1.37 -4.34 4.85 8.00 -1.26 -0.63 116.55 123.48 2jrr n ASP 12 Ca -0.04 -1.19 -0.30 0.00 0.71 0.00 0.00 54.79 53.98 2jrr n ASP 12 Cb 0.61 0.63 -0.15 0.00 -0.02 0.00 0.00 41.12 42.20 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 -2.09 1.80 0.50 -1.24 -0.14 -1.26 -4.90 119.74 112.40 2jrr s LYS 13 Ca 0.11 -1.11 0.29 0.00 -1.36 0.00 0.00 55.97 53.90 2jrr s LYS 13 Cb 0.13 -1.97 1.01 0.00 -1.68 0.00 0.00 37.83 35.32 2jrr s LYS 13 CO 0.48 0.51 1.85 0.77 -0.76 0.00 0.00 175.35 178.21 2jrr h SER 14 N 4.79 0.00 -3.59 2.83 0.02 -1.93 -3.41 113.55 112.26 2jrr h SER 14 Ca -0.46 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 59.78 2jrr h SER 14 Cb 1.14 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.46 2jrr h SER 14 CO 0.44 0.07 -0.49 -0.13 -1.14 0.00 0.00 176.83 175.57 2jrr s ARG 15 N -3.55 3.05 -0.09 3.45 0.52 -1.26 -0.83 118.95 120.24 2jrr s ARG 15 Ca 0.02 -0.94 0.04 0.00 -0.52 0.00 0.00 55.73 54.34 2jrr s ARG 15 Cb 0.08 -3.79 -0.00 0.00 0.52 0.00 0.00 34.95 31.76 2jrr s ARG 15 CO 0.60 -0.63 -0.24 0.08 0.02 0.00 0.00 175.30 175.12 2jrr s VAL 16 N 1.63 2.07 0.27 3.52 1.01 -0.79 -4.95 120.40 123.15 2jrr s VAL 16 Ca 0.04 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.70 2jrr s VAL 16 Cb -0.19 -1.77 -0.09 0.00 0.00 0.00 0.00 36.38 34.33 2jrr s VAL 16 CO 0.08 0.56 1.09 0.00 0.00 0.00 0.00 175.10 176.83 2jrr s ALA 17 N 0.23 3.40 -0.55 5.51 0.00 -1.26 -0.54 121.76 128.54 2jrr s ALA 17 Ca -0.15 0.87 0.06 0.00 0.00 0.00 0.00 51.96 52.74 2jrr s ALA 17 Cb -0.17 -3.32 0.24 0.00 0.00 0.00 0.00 23.12 19.87 2jrr s ALA 17 CO 0.08 -0.13 0.63 0.00 0.00 0.00 0.00 175.76 176.34 2jrr n ASP 19 N 1.22 0.00 0.00 0.00 8.00 -1.26 -4.36 116.55 120.14 2jrr n ASP 19 Ca 0.26 0.51 0.00 0.00 0.71 0.00 0.00 54.79 56.27 2jrr n ASP 19 Cb 0.45 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 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 0.65 -2.24 0.00 0.44 0.00 -1.26 -0.42 105.19 102.37 2jrr n GLY 20 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.55 0.58 3.64 -0.02 0.00 -1.22 -4.88 105.19 102.74 2jrr n GLY 21 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 1.22 0.39 0.19 1.61 0.41 -1.26 -4.62 118.70 116.64 2jrr s GLU 22 Ca 0.00 0.76 -0.21 0.00 -0.41 0.00 0.00 54.97 55.11 2jrr s GLU 22 Cb 0.00 -1.71 0.13 0.00 -1.78 0.00 0.00 34.13 30.77 2jrr s GLU 22 CO 0.00 -2.82 1.57 0.78 -0.49 0.00 0.00 175.26 174.30 2jrr h GLY 23 N -1.97 -0.16 2.00 -1.39 0.00 -1.98 0.24 103.07 99.81 2jrr h GLY 23 Ca -0.54 0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 2jrr h GLY 23 CO 0.54 -0.19 -0.08 0.00 0.00 0.00 0.00 176.54 176.81 2jrr h ALA 24 N 0.99 1.79 -0.06 3.60 0.00 -2.04 -0.78 119.26 122.76 2jrr h ALA 24 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jrr h ALA 24 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jrr h ALA 24 CO -0.76 0.10 0.00 1.28 0.00 0.00 0.00 179.25 179.87 2jrr n LEU 25 N -4.34 1.55 -4.59 0.00 4.77 0.60 -4.85 117.00 110.14 2jrr n LEU 25 Ca -0.03 -0.56 -0.42 0.00 -0.03 0.00 0.00 56.01 54.97 2jrr n LEU 25 Cb 0.16 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 2jrr n LEU 25 CO 0.34 0.28 1.21 -0.83 -1.33 0.00 0.00 177.39 177.06 2jrr s GLY 26 N -1.87 1.02 0.19 -0.72 0.00 0.20 -3.41 107.32 102.74 2jrr s GLY 26 Ca 0.36 -0.47 -0.04 0.00 0.00 0.00 0.00 44.72 44.57 2jrr s GLY 26 CO 0.31 2.73 0.43 0.30 0.00 0.00 0.00 173.10 176.87 2jrr s HIS 27 N 5.60 3.47 0.00 1.90 3.76 0.44 -4.97 115.29 125.49 2jrr s HIS 27 Ca 0.55 0.54 -0.01 0.00 -0.15 0.00 0.00 55.06 55.99 2jrr s HIS 27 Cb -0.11 -2.00 -0.00 0.00 1.11 0.00 0.00 32.58 31.57 2jrr s HIS 27 CO 0.29 0.35 1.01 -1.35 -0.85 0.00 0.00 174.74 174.19 2jrr h PRO 28 N 2.36 -0.02 0.00 8.40 0.11 -1.91 -3.43 132.00 137.51 2jrr h PRO 28 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jrr h PRO 28 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2jrr h PRO 28 CO 0.70 -0.01 0.00 -2.13 -0.21 0.00 0.00 178.00 176.35 2jrr n ARG 29 N -2.44 0.00 -5.09 1.05 0.00 -1.26 -4.97 116.66 103.95 2jrr n ARG 29 Ca -0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.55 2jrr n ARG 29 Cb 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.31 2jrr n ARG 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2jrr s VAL 30 N 0.00 1.81 -0.14 5.15 -7.23 -1.26 -5.04 120.40 113.68 2jrr s VAL 30 Ca 0.00 -0.93 0.01 0.00 -1.81 0.00 0.00 61.98 59.25 2jrr s VAL 30 Cb 0.00 -1.54 -0.01 0.00 0.56 0.00 0.00 36.38 35.39 2jrr s VAL 30 CO 0.00 0.51 -0.16 0.26 -0.31 0.00 0.00 175.10 175.40 2jrr s TRP 31 N -0.04 2.76 0.24 2.82 0.52 -1.26 -0.29 118.94 123.68 2jrr s TRP 31 Ca -0.05 -0.93 -0.07 0.00 0.02 0.00 0.00 56.10 55.07 2jrr s TRP 31 Cb -0.13 -1.85 -0.06 0.00 -1.15 0.00 0.00 33.47 30.28 2jrr s TRP 31 CO 0.03 -0.39 0.53 -0.51 0.02 0.00 0.00 176.95 176.63 2jrr s LEU 32 N 0.62 4.13 -0.34 2.99 1.02 0.29 -4.87 118.68 122.53 2jrr s LEU 32 Ca -0.09 0.79 -0.06 0.00 0.02 0.00 0.00 54.13 54.79 2jrr s LEU 32 Cb -0.16 -3.57 0.05 0.00 0.02 0.00 0.00 46.19 42.53 2jrr s LEU 32 CO 0.03 -0.11 0.11 -1.58 0.02 0.00 0.00 176.35 174.82 2jrr s GLN 33 N -3.10 2.56 -0.07 1.70 2.00 -1.26 -1.88 119.66 119.61 2jrr s GLN 33 Ca 0.45 -1.25 -0.30 0.00 -2.00 0.00 0.00 55.36 52.26 2jrr s GLN 33 Cb -0.11 -3.46 -0.04 0.00 0.80 0.00 0.00 33.01 30.20 2jrr s GLN 33 CO 0.25 -0.71 1.40 0.42 -0.50 0.00 0.00 175.29 176.16 2jrr s ILE 34 N 1.37 3.90 -0.12 -2.34 1.01 -0.01 -4.95 121.20 120.07 2jrr s ILE 34 Ca -0.01 1.18 -0.24 0.00 0.00 0.00 0.00 60.65 61.59 2jrr s ILE 34 Cb -0.20 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 2jrr s ILE 34 CO 0.02 -0.06 0.73 -2.16 0.00 0.00 0.00 174.94 173.47 2jrr s PRO 35 N 3.12 4.36 0.64 2.79 0.04 -1.26 -4.92 135.00 139.77 2jrr s PRO 35 Ca 0.63 0.88 0.38 0.00 0.04 0.00 0.00 61.00 62.93 2jrr s PRO 35 Cb -0.28 -3.50 2.14 0.00 0.04 0.00 0.00 34.50 32.90 2jrr s PRO 35 CO 0.23 -0.10 2.29 0.93 0.04 0.00 0.00 177.00 180.39 2jrr h GLU 36 N 7.04 0.00 -0.25 4.56 3.07 -1.95 0.30 114.58 127.36 2jrr h GLU 36 Ca -0.36 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.53 2jrr h GLU 36 Cb 1.17 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 2jrr h GLU 36 CO 0.78 0.00 0.17 -0.44 -1.40 0.00 0.00 179.01 178.12 2jrr h ASP 37 N 0.00 0.19 0.00 1.42 5.19 -1.98 -3.33 116.42 117.91 2jrr h ASP 37 Ca 0.01 -0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.28 2jrr h ASP 37 Cb 0.09 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.54 2jrr h ASP 37 CO -0.00 0.13 -1.47 0.35 -3.12 0.00 0.00 179.24 175.13 2jrr n THR 38 N -4.50 0.46 0.00 0.35 -2.24 -0.47 -5.02 114.28 102.87 2jrr n THR 38 Ca 0.02 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2jrr n THR 38 Cb 0.16 -1.40 0.00 0.00 -2.10 0.00 0.00 70.33 66.99 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 2.64 0.56 3.43 3.38 0.00 0.93 -2.72 105.19 113.41 2jrr n GLY 39 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.21 -0.14 1.61 1.48 -1.26 -1.20 118.94 117.23 2jrr s TRP 40 Ca 0.00 -0.11 -0.06 0.00 -1.06 0.00 0.00 56.10 54.87 2jrr s TRP 40 Cb 0.00 0.36 0.06 0.00 -1.16 0.00 0.00 33.47 32.73 2jrr s TRP 40 CO 0.00 -0.83 0.32 0.54 -4.06 0.00 0.00 176.95 172.92 2jrr s VAL 41 N -3.83 -0.20 0.04 -0.66 0.11 0.21 -4.49 120.40 111.57 2jrr s VAL 41 Ca 0.06 0.17 -0.11 0.00 -2.93 0.00 0.00 61.98 59.16 2jrr s VAL 41 Cb 0.00 -0.49 -0.06 0.00 -1.53 0.00 0.00 36.38 34.30 2jrr s VAL 41 CO -0.08 0.07 0.38 -1.83 -3.33 0.00 0.00 175.10 170.31 2jrr s GLU 42 N 1.74 3.78 0.11 1.54 -1.05 -1.26 -0.56 118.70 123.00 2jrr s GLU 42 Ca -0.06 0.23 -0.31 0.00 -0.15 0.00 0.00 54.97 54.68 2jrr s GLU 42 Cb -0.10 -3.09 -0.07 0.00 -0.44 0.00 0.00 34.13 30.42 2jrr s GLU 42 CO -0.10 0.62 1.29 0.00 0.95 0.00 0.00 175.26 178.02 2jrr n PRO 44 N 3.65 0.83 0.00 0.00 -0.04 -1.26 -4.41 135.00 133.77 2jrr n PRO 44 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2jrr n PRO 44 Cb 0.44 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.98 0.00 -1.57 0.54 4.01 -1.26 -5.05 117.16 112.85 2jrr n TYR 45 Ca 0.19 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.92 2jrr n TYR 45 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.11 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 0.00 -3.00 0.00 9.92 -1.26 -5.00 116.55 117.21 2jrr n ASP 47 Ca -0.03 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.11 2jrr n ASP 47 Cb 0.31 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.79 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 -2.52 3.40 -0.31 0.00 2.20 0.41 -1.29 119.74 121.64 2jrr s LYS 49 Ca 0.22 -0.61 -0.10 0.00 -0.36 0.00 0.00 55.97 55.11 2jrr s LYS 49 Cb -0.03 -3.03 -0.02 0.00 -1.51 0.00 0.00 37.83 33.25 2jrr s LYS 49 CO 0.15 -0.18 0.16 0.71 -0.36 0.00 0.00 175.35 175.83 2jrr s TYR 50 N 1.45 3.18 -0.13 4.03 2.02 0.28 -0.29 117.35 127.89 2jrr s TYR 50 Ca 0.05 -0.42 -0.05 0.00 -0.37 0.00 0.00 57.07 56.29 2jrr s TYR 50 Cb -0.14 -2.37 -0.04 0.00 -0.40 0.00 0.00 41.96 39.01 2jrr s TYR 50 CO -0.03 -0.40 0.04 0.08 -1.57 0.00 0.00 175.55 173.67 2jrr s VAL 51 N 1.65 4.60 -0.21 0.71 1.01 0.28 -0.62 120.40 127.81 2jrr s VAL 51 Ca 0.05 -0.12 -0.22 0.00 0.00 0.00 0.00 61.98 61.69 2jrr s VAL 51 Cb -0.17 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 2jrr s VAL 51 CO 0.07 0.55 0.71 -0.22 0.00 0.00 0.00 175.10 176.21 2jrr s LEU 52 N -0.34 4.12 0.09 3.92 2.96 -0.34 -1.01 118.68 128.07 2jrr s LEU 52 Ca 0.08 0.92 -0.31 0.00 -0.22 0.00 0.00 54.13 54.60 2jrr s LEU 52 Cb -0.12 -3.01 -0.08 0.00 0.50 0.00 0.00 46.19 43.48 2jrr s LEU 52 CO 0.02 -0.37 1.48 -0.75 -1.32 0.00 0.00 176.35 175.41 2jrr s LYS 53 N 2.26 4.27 0.00 1.98 2.36 0.20 -2.04 119.74 128.76 2jrr s LYS 53 Ca 0.31 2.15 0.00 0.00 -2.55 0.00 0.00 55.97 55.89 2jrr s LYS 53 Cb -0.16 -3.38 0.00 0.00 -1.05 0.00 0.00 37.83 33.25 2jrr s LYS 53 CO 0.10 -0.56 0.00 0.41 1.55 0.00 0.00 175.35 176.85 2jrr n GLY 54 N 3.68 0.67 1.33 5.54 0.00 -1.26 -4.90 105.19 110.25 2jrr n GLY 54 Ca 0.13 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 0.33 1.64 -0.10 1.61 2.88 -0.87 -4.99 113.62 114.12 2jrr n SER 55 Ca 0.00 -1.67 -0.07 0.00 -1.33 0.00 0.00 58.87 55.81 2jrr n SER 55 Cb 0.00 -0.01 0.01 0.00 -0.75 0.00 0.00 64.21 63.46 2jrr n SER 55 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2jrr h LYS 56 N 0.00 0.25 0.00 -1.46 3.64 -1.78 -2.08 116.57 115.14 2jrr h LYS 56 Ca -0.12 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2jrr h LYS 56 Cb 0.45 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2jrr h LYS 56 CO 0.19 0.17 0.00 0.00 -2.27 0.00 0.00 179.45 177.54 2jrr n ALA 57 N -2.32 1.91 -2.18 5.00 0.00 -1.10 -4.55 120.51 117.27 2jrr n ALA 57 Ca 0.01 0.02 -0.31 0.00 0.00 0.00 0.00 53.44 53.16 2jrr n ALA 57 Cb 0.12 -1.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.12 2jrr n ALA 57 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jrr s ASP 58 N -4.13 5.47 0.00 0.00 2.15 -0.78 -4.16 116.67 115.22 2jrr s ASP 58 Ca 0.07 -1.37 0.00 0.00 0.43 0.00 0.00 52.55 51.68 2jrr s ASP 58 Cb 0.11 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 2jrr s ASP 58 CO 0.46 -2.53 0.55 0.00 -0.17 0.00 0.00 175.17 173.48 2jrr n ALA 59 N 12.83 1.89 -0.88 3.66 0.00 -1.26 -4.78 120.51 131.98 2jrr n ALA 59 Ca 0.42 -0.20 0.03 0.00 0.00 0.00 0.00 53.44 53.69 2jrr n ALA 59 Cb 0.47 -0.09 0.04 0.00 0.00 0.00 0.00 19.45 19.87 2jrr n ALA 59 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2jrr n LEU 60 N 0.00 1.29 -4.71 0.00 -0.00 -1.26 -5.08 117.00 107.24 2jrr n LEU 60 Ca 0.00 -1.68 -0.43 0.00 -0.00 0.00 0.00 56.01 53.90 2jrr n LEU 60 Cb 0.54 -0.12 -0.02 0.00 -0.00 0.00 0.00 43.42 43.82 2jrr n LEU 60 CO 0.00 0.40 1.15 -1.84 -0.00 0.00 0.00 177.39 177.10 2jrr n GLU 61 N -0.56 2.40 -3.17 1.47 0.28 -1.26 -4.94 120.64 114.87 2jrr n GLU 61 Ca 0.04 0.86 -0.42 0.00 -0.16 0.00 0.00 57.16 57.48 2jrr n GLU 61 Cb 0.49 -2.59 -0.07 0.00 1.43 0.00 0.00 31.44 30.70 2jrr n GLU 61 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2jrr s HIS 62 N 0.08 3.14 -1.33 -1.84 3.76 -1.26 -4.99 115.29 112.85 2jrr s HIS 62 Ca 0.67 0.16 -0.13 0.00 -0.15 0.00 0.00 55.06 55.61 2jrr s HIS 62 Cb -0.57 -3.10 0.11 0.00 1.11 0.00 0.00 32.58 30.13 2jrr s HIS 62 CO 0.48 -0.66 1.89 0.72 -0.85 0.00 0.00 174.74 176.32 2jrr n HIS 63 N 5.97 3.82 0.00 1.40 -0.00 -1.26 -4.64 115.22 120.51 2jrr n HIS 63 Ca -0.03 -2.96 0.00 0.00 -0.00 0.00 0.00 57.72 54.73 2jrr n HIS 63 Cb 0.48 -2.33 0.00 0.00 -0.00 0.00 0.00 29.99 28.15 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 5.80 0.00 -1.66 4.41 8.25 -1.26 -4.93 115.22 125.83 2jrr n HIS 64 Ca 0.45 0.00 -0.53 0.00 -0.26 0.00 0.00 57.72 57.38 2jrr n HIS 64 Cb 0.40 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.45 2jrr n HIS 64 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jrr n HIS 65 N 0.00 1.91 -0.01 4.41 -0.00 -1.26 -4.88 115.22 115.39 2jrr n HIS 65 Ca 0.00 0.48 -0.03 0.00 -0.00 0.00 0.00 57.72 58.18 2jrr n HIS 65 Cb 0.00 -2.44 -0.01 0.00 -0.00 0.00 0.00 29.99 27.54 2jrr n HIS 65 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jrr n HIS 66 N 4.30 0.00 1.25 1.57 -0.00 -1.26 -4.90 115.22 116.18 2jrr n HIS 66 Ca 0.22 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.53 2jrr n HIS 66 Cb 0.19 -0.09 0.31 0.00 -0.12 0.00 0.00 29.99 30.28 2jrr n HIS 66 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38