#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 3.45 -1.12 2.03 -4.23 -1.26 -4.93 115.64 109.59 2jrr s THR 2 Ca 0.00 0.47 0.18 0.00 -1.18 0.00 0.00 61.69 61.16 2jrr s THR 2 Cb 0.00 -3.09 0.19 0.00 1.34 0.00 0.00 72.50 70.94 2jrr s THR 2 CO 0.00 -0.62 1.56 -0.38 -0.54 0.00 0.00 174.62 174.65 2jrr n ILE 3 N -3.41 0.69 -1.00 2.99 5.41 -1.26 -4.88 119.36 117.90 2jrr n ILE 3 Ca 0.08 0.17 -0.00 0.00 1.00 0.00 0.00 62.75 64.00 2jrr n ILE 3 Cb 0.54 -0.87 -0.00 0.00 -0.71 0.00 0.00 39.64 38.60 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 -1.44 -0.94 -3.50 0.38 6.02 -1.26 -4.93 117.38 111.71 2jrr n GLN 4 Ca 0.05 0.24 -0.27 0.00 -0.01 0.00 0.00 57.00 57.02 2jrr n GLN 4 Cb 0.19 -3.94 -0.09 0.00 1.02 0.00 0.00 30.24 27.41 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 1.00 3.33 -3.18 -1.58 0.00 -1.26 -5.05 120.51 113.77 2jrr n ALA 5 Ca -0.00 -4.12 -0.45 0.00 0.00 0.00 0.00 53.44 48.86 2jrr n ALA 5 Cb 0.24 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 2jrr n ALA 5 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jrr s PRO 6 N -1.49 3.34 0.00 0.00 0.04 -1.26 -4.88 135.00 130.75 2jrr s PRO 6 Ca 0.34 -1.85 0.15 0.00 0.04 0.00 0.00 61.00 59.68 2jrr s PRO 6 Cb 0.08 -4.45 0.70 0.00 0.04 0.00 0.00 34.50 30.87 2jrr s PRO 6 CO -0.11 -1.47 1.48 -0.85 0.04 0.00 0.00 177.00 176.09 2jrr n GLU 7 N 5.42 1.35 -3.04 4.56 -0.00 -1.26 -4.76 120.64 122.92 2jrr n GLU 7 Ca 0.04 -0.53 -0.43 0.00 -0.00 0.00 0.00 57.16 56.25 2jrr n GLU 7 Cb 0.45 -1.27 -0.06 0.00 -0.00 0.00 0.00 31.44 30.56 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 -1.87 4.76 -0.41 3.84 2.01 -1.26 -0.22 115.64 122.49 2jrr s THR 8 Ca 0.24 0.41 -0.15 0.00 0.31 0.00 0.00 61.69 62.50 2jrr s THR 8 Cb 0.12 -4.23 0.03 0.00 0.01 0.00 0.00 72.50 68.43 2jrr s THR 8 CO 0.19 -0.57 0.30 -0.75 -0.69 0.00 0.00 174.62 173.10 2jrr s LYS 9 N 3.01 2.95 -0.89 4.92 2.47 0.27 -4.93 119.74 127.54 2jrr s LYS 9 Ca 0.27 -1.08 -0.25 0.00 -1.56 0.00 0.00 55.97 53.35 2jrr s LYS 9 Cb -0.13 -3.97 0.03 0.00 -1.46 0.00 0.00 37.83 32.30 2jrr s LYS 9 CO 0.19 -0.79 1.43 0.42 0.16 0.00 0.00 175.35 176.77 2jrr s ILE 10 N 1.66 3.80 0.22 5.43 1.01 -1.26 0.33 121.20 132.38 2jrr s ILE 10 Ca 0.05 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.46 2jrr s ILE 10 Cb -0.20 -4.91 -0.04 0.00 0.01 0.00 0.00 42.46 37.33 2jrr s ILE 10 CO 0.09 -1.82 0.39 -0.69 0.00 0.00 0.00 174.94 172.91 2jrr s VAL 11 N 5.71 5.23 -2.04 2.92 1.01 0.80 -4.87 120.40 129.15 2jrr s VAL 11 Ca 0.44 -0.60 0.24 0.00 0.00 0.00 0.00 61.98 62.06 2jrr s VAL 11 Cb -0.04 -3.79 0.12 0.00 0.00 0.00 0.00 36.38 32.67 2jrr s VAL 11 CO 0.01 -0.26 1.28 -0.67 0.00 0.00 0.00 175.10 175.47 2jrr n ASP 12 N -1.00 1.76 -4.07 3.32 2.03 -1.26 -1.22 116.55 116.11 2jrr n ASP 12 Ca -0.06 -1.35 -0.11 0.00 0.52 0.00 0.00 54.79 53.79 2jrr n ASP 12 Cb 0.55 0.32 -0.11 0.00 -0.72 0.00 0.00 41.12 41.16 2jrr n ASP 12 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2jrr s LYS 13 N -2.43 0.55 0.04 -0.67 1.02 -1.26 -4.91 119.74 112.08 2jrr s LYS 13 Ca 0.22 -0.89 -0.16 0.00 0.02 0.00 0.00 55.97 55.16 2jrr s LYS 13 Cb 0.19 -0.12 -0.33 0.00 -0.52 0.00 0.00 37.83 37.04 2jrr s LYS 13 CO 0.53 -0.00 1.04 0.66 -0.92 0.00 0.00 175.35 176.65 2jrr h SER 14 N 4.08 0.86 -1.54 2.83 4.64 -1.92 -3.42 113.55 119.09 2jrr h SER 14 Ca -0.35 -0.88 -0.49 0.00 -0.47 0.00 0.00 61.79 59.60 2jrr h SER 14 Cb 1.19 -0.28 -0.07 0.00 -0.31 0.00 0.00 62.40 62.94 2jrr h SER 14 CO 0.48 1.67 1.17 -0.13 -0.87 0.00 0.00 176.83 179.15 2jrr s ARG 15 N -2.76 3.03 -0.08 4.77 0.52 -1.26 -1.69 118.95 121.49 2jrr s ARG 15 Ca -0.09 -0.31 0.01 0.00 -0.52 0.00 0.00 55.73 54.81 2jrr s ARG 15 Cb 0.05 -4.77 -0.03 0.00 0.52 0.00 0.00 34.95 30.72 2jrr s ARG 15 CO 0.94 -2.58 -0.09 0.08 0.02 0.00 0.00 175.30 173.67 2jrr s VAL 16 N 7.28 3.54 -0.30 3.52 1.01 -0.67 -4.94 120.40 129.84 2jrr s VAL 16 Ca 0.53 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 2jrr s VAL 16 Cb -0.06 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 2jrr s VAL 16 CO 0.05 0.58 0.29 0.00 0.00 0.00 0.00 175.10 176.03 2jrr s ALA 17 N -0.55 3.53 0.04 5.51 0.00 -1.26 -0.69 121.76 128.34 2jrr s ALA 17 Ca 0.08 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.68 2jrr s ALA 17 Cb -0.12 -2.65 -0.07 0.00 0.00 0.00 0.00 23.12 20.28 2jrr s ALA 17 CO 0.02 -0.75 1.57 0.00 0.00 0.00 0.00 175.76 176.60 2jrr n ASP 19 N 5.57 0.00 0.00 0.00 2.03 -1.26 -3.55 116.55 119.35 2jrr n ASP 19 Ca 0.15 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.48 2jrr n ASP 19 Cb 0.42 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 2jrr n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jrr n GLY 20 N 1.87 -2.68 0.00 0.27 0.00 -1.26 0.83 105.19 104.22 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 -0.82 0.75 3.93 -0.02 0.00 -1.12 -4.93 105.19 102.97 2jrr n GLY 21 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 0.18 2.75 0.22 1.61 2.02 -1.26 -4.89 118.70 119.34 2jrr s GLU 22 Ca 0.00 -0.19 -0.13 0.00 0.02 0.00 0.00 54.97 54.67 2jrr s GLU 22 Cb 0.00 -2.31 0.27 0.00 0.10 0.00 0.00 34.13 32.19 2jrr s GLU 22 CO 0.00 -0.76 1.60 0.78 0.02 0.00 0.00 175.26 176.91 2jrr h GLY 23 N -0.17 0.43 2.00 -1.39 0.00 -1.97 0.37 103.07 102.33 2jrr h GLY 23 Ca -0.45 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2jrr h GLY 23 CO 0.59 -0.27 0.00 0.00 0.00 0.00 0.00 176.54 176.87 2jrr h ALA 24 N 1.62 1.00 -0.25 3.60 0.00 -2.03 -0.25 119.26 122.94 2jrr h ALA 24 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2jrr h ALA 24 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2jrr h ALA 24 CO -0.74 0.00 0.00 1.28 0.00 0.00 0.00 179.25 179.79 2jrr n LEU 25 N -2.34 3.71 -4.68 0.00 4.77 0.11 -5.02 117.00 113.55 2jrr n LEU 25 Ca -0.00 -2.92 -0.43 0.00 -0.03 0.00 0.00 56.01 52.64 2jrr n LEU 25 Cb 0.13 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 2jrr n LEU 25 CO 0.15 0.68 0.99 -0.83 -1.33 0.00 0.00 177.39 177.05 2jrr s GLY 26 N -1.88 1.91 -0.25 -0.72 0.00 0.12 -2.80 107.32 103.70 2jrr s GLY 26 Ca 0.40 0.51 -0.18 0.00 0.00 0.00 0.00 44.72 45.45 2jrr s GLY 26 CO 0.09 2.30 0.51 0.30 0.00 0.00 0.00 173.10 176.30 2jrr s HIS 27 N 2.76 3.29 -0.41 1.90 3.76 0.24 -4.95 115.29 121.89 2jrr s HIS 27 Ca 0.54 0.65 -0.05 0.00 -0.15 0.00 0.00 55.06 56.05 2jrr s HIS 27 Cb -0.22 -2.70 -0.14 0.00 1.11 0.00 0.00 32.58 30.62 2jrr s HIS 27 CO 0.18 -0.24 2.59 -0.35 -0.85 0.00 0.00 174.74 176.06 2jrr n PRO 28 N 5.37 1.83 -1.77 8.40 -0.04 -1.26 -4.40 135.00 143.13 2jrr n PRO 28 Ca -0.04 -1.05 -0.01 0.00 -0.04 0.00 0.00 63.50 62.35 2jrr n PRO 28 Cb 0.50 -2.10 -0.01 0.00 -0.04 0.00 0.00 33.50 31.84 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 3.13 -1.11 -4.26 0.54 0.00 -1.23 -5.10 116.66 108.63 2jrr n ARG 29 Ca 0.39 1.22 -0.17 0.00 -0.00 0.00 0.00 57.85 59.29 2jrr n ARG 29 Cb 0.47 -2.01 -0.14 0.00 0.00 0.00 0.00 32.46 30.79 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 -0.18 0.60 -0.22 5.15 -7.23 -1.24 -4.98 120.40 112.30 2jrr s VAL 30 Ca -0.07 -0.41 -0.06 0.00 -1.81 0.00 0.00 61.98 59.64 2jrr s VAL 30 Cb 0.00 -0.52 -0.03 0.00 0.56 0.00 0.00 36.38 36.40 2jrr s VAL 30 CO 0.20 0.11 0.03 0.26 -0.31 0.00 0.00 175.10 175.39 2jrr s TRP 31 N -0.30 3.08 0.22 2.82 0.52 -1.26 -0.38 118.94 123.64 2jrr s TRP 31 Ca 0.02 -0.40 0.06 0.00 0.02 0.00 0.00 56.10 55.80 2jrr s TRP 31 Cb -0.04 -2.14 -0.03 0.00 -1.15 0.00 0.00 33.47 30.11 2jrr s TRP 31 CO -0.00 -0.24 0.25 -0.51 0.02 0.00 0.00 176.95 176.46 2jrr s LEU 32 N 1.15 4.02 -0.25 2.99 1.02 0.13 -4.93 118.68 122.81 2jrr s LEU 32 Ca 0.03 -0.09 0.02 0.00 0.02 0.00 0.00 54.13 54.11 2jrr s LEU 32 Cb -0.14 -2.57 0.06 0.00 0.02 0.00 0.00 46.19 43.56 2jrr s LEU 32 CO 0.02 -0.02 -0.07 -1.58 0.02 0.00 0.00 176.35 174.73 2jrr s GLN 33 N -3.70 1.80 -0.23 1.70 2.00 -1.25 -1.67 119.66 118.31 2jrr s GLN 33 Ca 0.33 -1.14 -0.29 0.00 -2.00 0.00 0.00 55.36 52.27 2jrr s GLN 33 Cb -0.09 -2.70 -0.02 0.00 0.80 0.00 0.00 33.01 31.00 2jrr s GLN 33 CO 0.26 -0.61 1.57 0.42 -0.50 0.00 0.00 175.29 176.44 2jrr s ILE 34 N 1.29 3.76 0.34 -2.34 1.01 -0.68 -4.92 121.20 119.65 2jrr s ILE 34 Ca -0.06 0.85 -0.25 0.00 0.00 0.00 0.00 60.65 61.19 2jrr s ILE 34 Cb -0.19 -3.76 -0.10 0.00 0.01 0.00 0.00 42.46 38.41 2jrr s ILE 34 CO -0.06 -0.31 0.94 -2.16 0.00 0.00 0.00 174.94 173.35 2jrr s PRO 35 N 4.59 4.51 0.47 2.79 0.04 -1.26 -4.81 135.00 141.33 2jrr s PRO 35 Ca 0.69 1.28 0.16 0.00 0.04 0.00 0.00 61.00 63.17 2jrr s PRO 35 Cb -0.24 -2.68 1.10 0.00 0.04 0.00 0.00 34.50 32.72 2jrr s PRO 35 CO 0.28 0.22 2.03 0.93 0.04 0.00 0.00 177.00 180.51 2jrr h GLU 36 N 2.93 0.00 -0.05 4.56 3.07 -1.97 -0.15 114.58 122.97 2jrr h GLU 36 Ca -0.47 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.40 2jrr h GLU 36 Cb 1.19 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.08 2jrr h GLU 36 CO 0.64 0.14 -0.03 -0.44 -1.40 0.00 0.00 179.01 177.92 2jrr h ASP 37 N 0.00 -0.11 0.01 1.42 5.19 -1.99 -3.33 116.42 117.61 2jrr h ASP 37 Ca -0.00 0.02 -0.25 0.00 -0.62 0.00 0.00 57.03 56.18 2jrr h ASP 37 Cb 0.26 0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.79 2jrr h ASP 37 CO 0.02 -0.05 -1.38 0.35 -3.12 0.00 0.00 179.24 175.06 2jrr n THR 38 N -5.15 1.56 -0.09 0.35 -2.24 -1.14 -4.99 114.28 102.58 2jrr n THR 38 Ca -0.05 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2jrr n THR 38 Cb 0.08 -2.01 0.00 0.00 -2.10 0.00 0.00 70.33 66.30 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 0.58 3.53 3.38 0.00 -0.08 -4.22 105.19 109.85 2jrr n GLY 39 Ca -0.33 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.16 -0.21 -0.04 1.61 1.48 -1.26 -0.49 118.94 117.88 2jrr s TRP 40 Ca 0.00 -0.12 -0.03 0.00 -1.06 0.00 0.00 56.10 54.88 2jrr s TRP 40 Cb 0.00 0.45 0.02 0.00 -1.16 0.00 0.00 33.47 32.78 2jrr s TRP 40 CO 0.00 -0.93 0.11 0.54 -4.06 0.00 0.00 176.95 172.61 2jrr s VAL 41 N -3.85 -0.01 0.05 -0.66 0.11 -0.13 -4.48 120.40 111.41 2jrr s VAL 41 Ca 0.08 0.05 -0.03 0.00 -2.93 0.00 0.00 61.98 59.15 2jrr s VAL 41 Cb -0.01 -0.17 -0.04 0.00 -1.53 0.00 0.00 36.38 34.62 2jrr s VAL 41 CO -0.04 0.02 0.24 -1.83 -3.33 0.00 0.00 175.10 170.16 2jrr s GLU 42 N 0.38 3.49 -0.29 1.54 -1.05 -1.26 -0.18 118.70 121.33 2jrr s GLU 42 Ca -0.03 -0.29 -0.13 0.00 -0.15 0.00 0.00 54.97 54.38 2jrr s GLU 42 Cb -0.04 -3.03 -0.04 0.00 -0.44 0.00 0.00 34.13 30.58 2jrr s GLU 42 CO -0.01 0.61 0.27 0.00 0.95 0.00 0.00 175.26 177.08 2jrr n PRO 44 N 5.19 0.66 0.00 0.00 -0.04 -1.26 -4.14 135.00 135.40 2jrr n PRO 44 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2jrr n PRO 44 Cb 0.51 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.29 0.00 -1.97 0.54 4.01 -1.26 -5.05 117.16 113.72 2jrr n TYR 45 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2jrr n TYR 45 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 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 -3.52 0.00 9.92 -1.26 -4.81 116.55 116.88 2jrr n ASP 47 Ca 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.19 2jrr n ASP 47 Cb 0.49 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.96 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 -3.22 2.90 -0.64 0.00 2.20 0.69 -2.39 119.74 119.28 2jrr s LYS 49 Ca 0.13 -1.40 -0.27 0.00 -0.36 0.00 0.00 55.97 54.08 2jrr s LYS 49 Cb -0.05 -4.07 0.04 0.00 -1.51 0.00 0.00 37.83 32.24 2jrr s LYS 49 CO 0.08 -1.03 1.16 0.71 -0.36 0.00 0.00 175.35 175.91 2jrr s TYR 50 N 1.59 2.52 -0.23 4.03 2.02 0.74 -0.57 117.35 127.46 2jrr s TYR 50 Ca 0.04 0.07 -0.16 0.00 -0.37 0.00 0.00 57.07 56.65 2jrr s TYR 50 Cb -0.24 -4.47 -0.04 0.00 -0.40 0.00 0.00 41.96 36.81 2jrr s TYR 50 CO 0.05 -1.74 0.41 0.08 -1.57 0.00 0.00 175.55 172.79 2jrr s VAL 51 N 5.00 5.17 -0.19 0.71 1.01 0.15 -0.96 120.40 131.28 2jrr s VAL 51 Ca 0.36 0.71 -0.29 0.00 0.00 0.00 0.00 61.98 62.76 2jrr s VAL 51 Cb -0.09 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 2jrr s VAL 51 CO 0.19 0.20 1.14 -0.22 0.00 0.00 0.00 175.10 176.41 2jrr s LEU 52 N 1.65 4.15 0.49 3.92 2.96 0.36 -0.14 118.68 132.07 2jrr s LEU 52 Ca 0.19 1.53 -0.23 0.00 -0.22 0.00 0.00 54.13 55.40 2jrr s LEU 52 Cb -0.15 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 2jrr s LEU 52 CO 0.09 -0.70 1.26 -0.75 -1.32 0.00 0.00 176.35 174.93 2jrr s LYS 53 N 3.24 3.53 0.00 1.98 2.20 -0.36 -3.07 119.74 127.26 2jrr s LYS 53 Ca 0.49 1.99 0.00 0.00 -0.36 0.00 0.00 55.97 58.09 2jrr s LYS 53 Cb -0.18 -2.38 0.00 0.00 -1.51 0.00 0.00 37.83 33.76 2jrr s LYS 53 CO 0.11 -0.81 0.00 0.41 -0.36 0.00 0.00 175.35 174.70 2jrr n GLY 54 N 0.58 0.56 3.69 5.54 0.00 -1.26 -4.99 105.19 109.31 2jrr n GLY 54 Ca 0.08 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.55 4.07 0.53 1.61 0.01 -1.18 -5.00 113.70 111.19 2jrr s SER 55 Ca 0.00 -1.37 0.22 0.00 1.31 0.00 0.00 55.95 56.11 2jrr s SER 55 Cb 0.00 -0.19 1.35 0.00 0.21 0.00 0.00 66.02 67.40 2jrr s SER 55 CO 0.00 -0.58 2.04 0.07 0.41 0.00 0.00 173.24 175.18 2jrr h LYS 56 N 1.57 0.01 0.00 12.44 2.10 -1.87 -0.11 116.57 130.70 2jrr h LYS 56 Ca -0.43 -0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.10 2jrr h LYS 56 Cb 1.26 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.57 2jrr h LYS 56 CO 0.76 0.01 -0.55 0.00 -2.00 0.00 0.00 179.45 177.67 2jrr h ALA 57 N 1.81 0.78 -0.19 0.07 0.00 -1.86 -3.38 119.26 116.49 2jrr h ALA 57 Ca 0.18 -0.50 -0.67 0.00 0.00 0.00 0.00 54.91 53.91 2jrr h ALA 57 Cb 0.70 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2jrr h ALA 57 CO -0.00 0.69 2.69 -3.47 0.00 0.00 0.00 179.25 179.16 2jrr n ASP 58 N -3.44 3.78 0.00 0.00 2.03 -0.06 -3.74 116.55 115.13 2jrr n ASP 58 Ca 0.00 -2.82 0.00 0.00 0.52 0.00 0.00 54.79 52.50 2jrr n ASP 58 Cb 0.67 -1.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 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 7.26 0.00 -0.37 -1.67 0.00 -1.26 -4.72 120.51 119.75 2jrr n ALA 59 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2jrr n ALA 59 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2jrr n ALA 59 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jrr n LEU 60 N 0.00 0.04 -4.56 0.00 4.32 -1.24 -4.61 117.00 110.94 2jrr n LEU 60 Ca 0.00 0.80 -0.40 0.00 -0.02 0.00 0.00 56.01 56.38 2jrr n LEU 60 Cb 0.00 -0.31 -0.09 0.00 -1.62 0.00 0.00 43.42 41.40 2jrr n LEU 60 CO 0.00 -0.31 0.06 -1.61 -1.22 0.00 0.00 177.39 174.31 2jrr s GLU 61 N -2.20 3.68 -0.29 3.23 0.41 -1.26 -5.04 118.70 117.23 2jrr s GLU 61 Ca 0.00 -0.28 -0.20 0.00 -0.41 0.00 0.00 54.97 54.08 2jrr s GLU 61 Cb 0.00 -3.77 0.13 0.00 -1.78 0.00 0.00 34.13 28.71 2jrr s GLU 61 CO 0.00 -0.48 0.97 -3.38 -0.49 0.00 0.00 175.26 171.88 2jrr s HIS 62 N 2.08 -0.57 0.34 1.61 -3.43 -1.26 -5.12 115.29 108.93 2jrr s HIS 62 Ca 0.13 1.24 0.07 0.00 -0.80 0.00 0.00 55.06 55.70 2jrr s HIS 62 Cb -0.16 0.38 -0.03 0.00 -1.43 0.00 0.00 32.58 31.34 2jrr s HIS 62 CO 0.12 -0.28 0.26 -2.39 -2.00 0.00 0.00 174.74 170.44 2jrr n HIS 63 N 3.12 -0.65 -1.44 0.38 1.44 -1.26 -5.09 115.22 111.72 2jrr n HIS 63 Ca -0.16 -2.75 -0.49 0.00 -2.01 0.00 0.00 57.72 52.30 2jrr n HIS 63 Cb 0.57 0.25 -0.08 0.00 0.12 0.00 0.00 29.99 30.85 2jrr n HIS 63 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2jrr n HIS 64 N -0.67 1.50 0.00 -1.40 8.25 -1.26 -4.27 115.22 117.37 2jrr n HIS 64 Ca 0.06 0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.81 2jrr n HIS 64 Cb 0.60 -2.52 0.00 0.00 1.12 0.00 0.00 29.99 29.19 2jrr n HIS 64 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jrr n HIS 65 N 10.21 0.00 0.00 4.41 8.25 -1.26 -3.51 115.22 133.33 2jrr n HIS 65 Ca 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.89 2jrr n HIS 65 Cb 0.23 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 2jrr n HIS 65 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jrr n HIS 66 N 0.00 0.00 0.00 4.41 -0.00 -1.26 -5.15 115.22 113.22 2jrr n HIS 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jrr n HIS 66 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2jrr n HIS 66 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06