#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 2.01 0.25 3.17 -4.23 -1.26 -4.98 115.64 110.60 2jrr s THR 2 Ca 0.00 -0.35 0.25 0.00 -1.18 0.00 0.00 61.69 60.41 2jrr s THR 2 Cb 0.00 -2.65 0.25 0.00 1.34 0.00 0.00 72.50 71.44 2jrr s THR 2 CO 0.00 0.00 1.92 0.16 -0.54 0.00 0.00 174.62 176.16 2jrr h ILE 3 N -1.10 0.56 0.00 2.99 3.07 -2.12 -3.46 117.51 117.45 2jrr h ILE 3 Ca -0.38 -0.90 0.00 0.00 1.55 0.00 0.00 64.86 65.13 2jrr h ILE 3 Cb 1.24 1.60 0.00 0.00 -0.27 0.00 0.00 36.82 39.39 2jrr h ILE 3 CO 0.35 0.19 0.00 0.00 -1.05 0.00 0.00 178.15 177.63 2jrr n GLN 4 N -3.49 -0.37 -1.58 0.16 6.02 -1.26 -4.89 117.38 111.97 2jrr n GLN 4 Ca -0.01 0.09 -0.41 0.00 -0.01 0.00 0.00 57.00 56.67 2jrr n GLN 4 Cb 0.35 -4.41 -0.03 0.00 1.02 0.00 0.00 30.24 27.17 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 1.00 1.42 -0.37 -1.58 0.00 -1.26 -4.85 120.51 114.87 2jrr n ALA 5 Ca 0.00 -0.48 -0.15 0.00 0.00 0.00 0.00 53.44 52.81 2jrr n ALA 5 Cb 0.09 -3.01 0.10 0.00 0.00 0.00 0.00 19.45 16.64 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 8.83 1.76 -0.77 0.00 -0.04 -1.26 -4.48 135.00 139.04 2jrr n PRO 6 Ca 0.33 -1.78 -0.07 0.00 -0.04 0.00 0.00 63.50 61.94 2jrr n PRO 6 Cb 0.47 -1.70 0.20 0.00 -0.04 0.00 0.00 33.50 32.43 2jrr n PRO 6 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2jrr n GLU 7 N -0.43 2.77 -3.08 0.54 0.28 -1.26 -4.86 120.64 114.60 2jrr n GLU 7 Ca 0.35 -2.19 -0.41 0.00 -0.16 0.00 0.00 57.16 54.76 2jrr n GLU 7 Cb 1.15 -1.94 -0.06 0.00 1.43 0.00 0.00 31.44 32.02 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 -2.30 4.96 -0.37 3.84 2.01 -1.26 -1.67 115.64 120.84 2jrr s THR 8 Ca 0.40 1.15 -0.06 0.00 0.31 0.00 0.00 61.69 63.48 2jrr s THR 8 Cb 0.32 -3.96 0.06 0.00 0.01 0.00 0.00 72.50 68.93 2jrr s THR 8 CO 0.09 -0.01 0.15 -0.75 -0.69 0.00 0.00 174.62 173.42 2jrr s LYS 9 N 2.56 2.50 -0.66 4.92 2.47 0.63 -4.94 119.74 127.22 2jrr s LYS 9 Ca 0.27 -1.37 -0.24 0.00 -1.56 0.00 0.00 55.97 53.07 2jrr s LYS 9 Cb -0.15 -3.54 0.06 0.00 -1.46 0.00 0.00 37.83 32.73 2jrr s LYS 9 CO 0.09 -0.81 1.03 0.42 0.16 0.00 0.00 175.35 176.24 2jrr s ILE 10 N 1.35 4.21 0.29 5.43 1.01 -1.26 0.23 121.20 132.46 2jrr s ILE 10 Ca 0.01 -0.09 0.07 0.00 0.00 0.00 0.00 60.65 60.63 2jrr s ILE 10 Cb -0.21 -4.71 -0.03 0.00 0.01 0.00 0.00 42.46 37.52 2jrr s ILE 10 CO 0.01 -1.49 0.30 0.68 0.00 0.00 0.00 174.94 174.45 2jrr s VAL 11 N 4.40 4.22 -0.10 2.92 -7.23 0.13 -4.84 120.40 119.90 2jrr s VAL 11 Ca 0.26 -1.25 0.10 0.00 -1.81 0.00 0.00 61.98 59.28 2jrr s VAL 11 Cb -0.14 -3.41 -0.24 0.00 0.56 0.00 0.00 36.38 33.15 2jrr s VAL 11 CO 0.13 -0.26 0.43 -0.67 -0.31 0.00 0.00 175.10 174.42 2jrr n ASP 12 N -1.36 0.99 -4.67 4.85 2.03 -1.26 -0.57 116.55 116.55 2jrr n ASP 12 Ca -0.05 0.25 -0.33 0.00 0.52 0.00 0.00 54.79 55.19 2jrr n ASP 12 Cb 0.58 -0.01 -0.09 0.00 -0.72 0.00 0.00 41.12 40.88 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 -2.56 2.80 0.28 -0.67 1.02 -1.26 -4.73 119.74 114.62 2jrr s LYS 13 Ca -0.11 -0.57 -0.01 0.00 0.02 0.00 0.00 55.97 55.29 2jrr s LYS 13 Cb 0.07 -2.67 0.41 0.00 -0.52 0.00 0.00 37.83 35.12 2jrr s LYS 13 CO 0.80 0.64 1.85 1.03 -0.92 0.00 0.00 175.35 178.76 2jrr h SER 14 N 4.60 0.81 -2.73 2.83 0.87 -1.91 -3.40 113.55 114.61 2jrr h SER 14 Ca -0.49 -0.12 -0.55 0.00 -1.23 0.00 0.00 61.79 59.40 2jrr h SER 14 Cb 1.18 -0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.88 2jrr h SER 14 CO 0.56 0.75 1.16 -0.13 -0.53 0.00 0.00 176.83 178.63 2jrr s ARG 15 N -5.35 3.24 -0.45 2.24 0.52 -1.26 -2.27 118.95 115.62 2jrr s ARG 15 Ca -0.10 0.65 -0.14 0.00 -0.52 0.00 0.00 55.73 55.62 2jrr s ARG 15 Cb 0.16 -4.16 0.06 0.00 0.52 0.00 0.00 34.95 31.53 2jrr s ARG 15 CO 0.80 -2.00 0.36 0.08 0.02 0.00 0.00 175.30 174.55 2jrr s VAL 16 N 6.53 5.10 -0.71 3.52 1.01 0.00 -4.93 120.40 130.93 2jrr s VAL 16 Ca 0.59 -1.03 -0.27 0.00 0.00 0.00 0.00 61.98 61.28 2jrr s VAL 16 Cb -0.13 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.28 2jrr s VAL 16 CO 0.26 -0.51 1.23 0.00 0.00 0.00 0.00 175.10 176.08 2jrr s ALA 17 N 1.62 2.83 -0.50 5.51 0.00 -1.26 -1.16 121.76 128.79 2jrr s ALA 17 Ca 0.04 -1.33 -0.18 0.00 0.00 0.00 0.00 51.96 50.50 2jrr s ALA 17 Cb -0.23 -4.18 0.07 0.00 0.00 0.00 0.00 23.12 18.78 2jrr s ALA 17 CO 0.07 -3.14 0.54 0.00 0.00 0.00 0.00 175.76 173.23 2jrr h ASP 19 N 8.91 -0.14 0.00 0.00 5.19 -1.85 -2.06 116.42 126.47 2jrr h ASP 19 Ca -0.28 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 2jrr h ASP 19 Cb 1.10 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.65 2jrr h ASP 19 CO 0.94 0.38 0.00 0.61 -3.12 0.00 0.00 179.24 178.06 2jrr n GLY 20 N 1.30 1.24 0.00 2.75 0.00 -1.26 -1.31 105.19 107.92 2jrr n GLY 20 Ca -0.03 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.88 -0.19 4.01 -0.02 0.00 -1.24 -4.95 105.19 101.92 2jrr n GLY 21 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 2.84 0.27 1.61 0.41 -1.26 -4.94 118.70 117.63 2jrr s GLU 22 Ca 0.00 -1.19 -0.03 0.00 -0.41 0.00 0.00 54.97 53.33 2jrr s GLU 22 Cb 0.00 -2.75 0.56 0.00 -1.78 0.00 0.00 34.13 30.16 2jrr s GLU 22 CO 0.00 -0.26 1.62 0.78 -0.49 0.00 0.00 175.26 176.90 2jrr h GLY 23 N 0.63 1.03 2.00 -1.39 0.00 -1.98 0.20 103.07 103.56 2jrr h GLY 23 Ca -0.41 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 2jrr h GLY 23 CO 0.46 -0.36 -0.08 0.00 0.00 0.00 0.00 176.54 176.56 2jrr h ALA 24 N 1.80 1.37 -0.43 3.60 0.00 -2.01 -2.22 119.26 121.37 2jrr h ALA 24 Ca 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2jrr h ALA 24 Cb 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2jrr h ALA 24 CO -0.74 0.10 0.00 1.28 0.00 0.00 0.00 179.25 179.89 2jrr n LEU 25 N -3.71 4.20 -4.77 0.00 4.77 0.62 -4.99 117.00 113.11 2jrr n LEU 25 Ca -0.02 -2.63 -0.39 0.00 -0.03 0.00 0.00 56.01 52.93 2jrr n LEU 25 Cb 0.18 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.71 2jrr n LEU 25 CO 0.29 0.72 0.45 -0.83 -1.33 0.00 0.00 177.39 176.69 2jrr s GLY 26 N -1.30 2.84 0.01 -0.72 0.00 -0.68 -3.63 107.32 103.85 2jrr s GLY 26 Ca 0.43 0.29 -0.21 0.00 0.00 0.00 0.00 44.72 45.22 2jrr s GLY 26 CO 0.16 0.88 0.47 -2.38 0.00 0.00 0.00 173.10 172.23 2jrr s HIS 27 N -0.79 -0.37 0.04 1.90 -3.43 -0.42 -5.00 115.29 107.21 2jrr s HIS 27 Ca 0.36 0.49 -0.08 0.00 -0.80 0.00 0.00 55.06 55.02 2jrr s HIS 27 Cb -0.22 0.26 -0.02 0.00 -1.43 0.00 0.00 32.58 31.18 2jrr s HIS 27 CO 0.24 -0.56 1.08 -2.30 -2.00 0.00 0.00 174.74 171.21 2jrr n PRO 28 N 0.74 -0.11 -2.78 -0.38 -0.02 -1.26 -4.60 135.00 126.59 2jrr n PRO 28 Ca -0.19 1.08 0.03 0.00 -2.02 0.00 0.00 63.50 62.39 2jrr n PRO 28 Cb 0.58 -1.60 0.01 0.00 -0.02 0.00 0.00 33.50 32.47 2jrr n PRO 28 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2jrr s ARG 29 N -3.67 0.09 -0.51 -0.52 1.81 -1.26 -4.82 118.95 110.06 2jrr s ARG 29 Ca -0.03 -0.01 -0.19 0.00 -1.72 0.00 0.00 55.73 53.77 2jrr s ARG 29 Cb 0.03 0.01 0.06 0.00 -0.45 0.00 0.00 34.95 34.60 2jrr s ARG 29 CO 0.16 -0.13 0.64 0.08 -0.68 0.00 0.00 175.30 175.37 2jrr s VAL 30 N 2.14 4.85 -0.41 3.52 1.01 -0.78 -4.92 120.40 125.82 2jrr s VAL 30 Ca 0.17 -0.50 -0.20 0.00 0.00 0.00 0.00 61.98 61.45 2jrr s VAL 30 Cb 0.03 -4.32 0.02 0.00 0.00 0.00 0.00 36.38 32.11 2jrr s VAL 30 CO -0.17 -0.84 0.61 0.26 0.00 0.00 0.00 175.10 174.96 2jrr s TRP 31 N 2.69 3.10 -0.05 5.22 0.52 -1.26 -0.65 118.94 128.51 2jrr s TRP 31 Ca 0.15 0.03 -0.18 0.00 0.02 0.00 0.00 56.10 56.12 2jrr s TRP 31 Cb -0.19 -3.22 -0.05 0.00 -1.15 0.00 0.00 33.47 28.85 2jrr s TRP 31 CO 0.12 -0.77 0.49 -0.51 0.02 0.00 0.00 176.95 176.30 2jrr s LEU 32 N 2.70 4.37 -0.41 2.99 1.02 -0.31 -4.87 118.68 124.16 2jrr s LEU 32 Ca 0.22 0.95 -0.11 0.00 0.02 0.00 0.00 54.13 55.21 2jrr s LEU 32 Cb -0.15 -2.73 0.06 0.00 0.02 0.00 0.00 46.19 43.39 2jrr s LEU 32 CO 0.17 0.12 0.26 -1.58 0.02 0.00 0.00 176.35 175.34 2jrr s GLN 33 N -0.06 2.74 -0.07 1.70 2.00 -1.26 -0.82 119.66 123.89 2jrr s GLN 33 Ca 0.27 -1.30 -0.29 0.00 -2.00 0.00 0.00 55.36 52.03 2jrr s GLN 33 Cb -0.16 -3.81 -0.06 0.00 0.80 0.00 0.00 33.01 29.77 2jrr s GLN 33 CO 0.13 -0.87 1.88 0.42 -0.50 0.00 0.00 175.29 176.35 2jrr s ILE 34 N 1.50 3.27 -0.05 -2.34 1.01 -0.96 -4.93 121.20 118.70 2jrr s ILE 34 Ca 0.03 0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.69 2jrr s ILE 34 Cb -0.22 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 2jrr s ILE 34 CO 0.04 -0.07 0.99 -2.16 0.00 0.00 0.00 174.94 173.75 2jrr s PRO 35 N 4.72 4.49 0.62 2.79 0.04 -1.26 -4.93 135.00 141.48 2jrr s PRO 35 Ca 0.84 1.40 0.38 0.00 0.04 0.00 0.00 61.00 63.66 2jrr s PRO 35 Cb -0.36 -3.50 2.09 0.00 0.04 0.00 0.00 34.50 32.77 2jrr s PRO 35 CO 0.35 -0.18 2.28 1.05 0.04 0.00 0.00 177.00 180.55 2jrr h GLU 36 N 6.94 0.00 -0.39 4.56 4.11 -1.95 0.49 114.58 128.35 2jrr h GLU 36 Ca -0.36 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.02 2jrr h GLU 36 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 2jrr h GLU 36 CO 0.80 0.01 0.02 0.22 0.07 0.00 0.00 179.01 180.13 2jrr h ASP 37 N 0.00 0.56 0.00 3.06 3.58 -1.98 -3.37 116.42 118.27 2jrr h ASP 37 Ca -0.00 -0.11 -0.25 0.00 0.42 0.00 0.00 57.03 57.09 2jrr h ASP 37 Cb 0.08 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 40.94 2jrr h ASP 37 CO 0.00 0.62 -1.75 0.35 -2.88 0.00 0.00 179.24 175.58 2jrr n THR 38 N -4.27 1.15 0.00 2.25 -2.24 -0.69 -5.04 114.28 105.44 2jrr n THR 38 Ca 0.02 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2jrr n THR 38 Cb 0.25 -1.85 0.00 0.00 -2.10 0.00 0.00 70.33 66.63 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 1.85 0.70 3.45 3.38 0.00 0.08 -4.42 105.19 110.23 2jrr n GLY 39 Ca -0.31 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.20 -0.18 1.61 1.48 -1.26 -2.07 118.94 116.32 2jrr s TRP 40 Ca 0.00 -0.11 -0.09 0.00 -1.06 0.00 0.00 56.10 54.84 2jrr s TRP 40 Cb 0.00 0.38 0.07 0.00 -1.16 0.00 0.00 33.47 32.76 2jrr s TRP 40 CO 0.00 -0.85 0.42 0.54 -4.06 0.00 0.00 176.95 172.99 2jrr s VAL 41 N -3.84 -0.16 0.07 -0.66 0.11 0.16 -4.38 120.40 111.70 2jrr s VAL 41 Ca 0.06 0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.23 2jrr s VAL 41 Cb -0.00 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 2jrr s VAL 41 CO -0.07 0.04 0.19 -1.83 -3.33 0.00 0.00 175.10 170.11 2jrr s GLU 42 N 1.67 3.35 -0.46 1.54 -1.05 -1.26 -0.36 118.70 122.13 2jrr s GLU 42 Ca -0.08 -0.49 -0.17 0.00 -0.15 0.00 0.00 54.97 54.08 2jrr s GLU 42 Cb -0.09 -2.99 0.05 0.00 -0.44 0.00 0.00 34.13 30.66 2jrr s GLU 42 CO -0.13 0.60 0.47 0.00 0.95 0.00 0.00 175.26 177.15 2jrr n PRO 44 N 5.62 0.13 0.00 0.00 -0.02 -1.26 0.12 135.00 139.59 2jrr n PRO 44 Ca -0.09 0.62 0.09 0.00 -2.02 0.00 0.00 63.50 62.10 2jrr n PRO 44 Cb 0.46 -1.97 0.07 0.00 -0.02 0.00 0.00 33.50 32.04 2jrr n PRO 44 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2jrr n TYR 45 N -2.20 0.00 -0.97 6.00 4.01 -1.26 -4.53 117.16 118.20 2jrr n TYR 45 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2jrr n TYR 45 Cb 0.08 0.00 0.00 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 -4.72 0.00 8.00 0.33 -4.94 116.55 115.22 2jrr n ASP 47 Ca 0.00 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.11 2jrr n ASP 47 Cb 0.19 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.33 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 -2.72 3.65 -0.35 0.00 2.20 -0.67 -1.36 119.74 120.49 2jrr s LYS 49 Ca 0.69 -0.50 -0.13 0.00 -0.36 0.00 0.00 55.97 55.68 2jrr s LYS 49 Cb -0.44 -3.17 -0.01 0.00 -1.51 0.00 0.00 37.83 32.70 2jrr s LYS 49 CO 0.51 -0.05 0.24 0.71 -0.36 0.00 0.00 175.35 176.40 2jrr s TYR 50 N 1.18 3.23 -0.01 4.03 2.02 0.51 -0.27 117.35 128.05 2jrr s TYR 50 Ca 0.04 -0.31 -0.04 0.00 -0.37 0.00 0.00 57.07 56.38 2jrr s TYR 50 Cb -0.14 -2.48 -0.04 0.00 -0.40 0.00 0.00 41.96 38.89 2jrr s TYR 50 CO 0.02 -0.40 0.21 0.08 -1.57 0.00 0.00 175.55 173.89 2jrr s VAL 51 N 1.70 5.40 -0.19 0.71 1.01 0.13 -0.67 120.40 128.50 2jrr s VAL 51 Ca 0.06 -0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 2jrr s VAL 51 Cb -0.18 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2jrr s VAL 51 CO 0.10 0.36 0.40 -0.22 0.00 0.00 0.00 175.10 175.74 2jrr s LEU 52 N -1.82 4.17 0.07 3.92 2.96 -0.88 -0.69 118.68 126.41 2jrr s LEU 52 Ca 0.27 0.55 -0.30 0.00 -0.22 0.00 0.00 54.13 54.42 2jrr s LEU 52 Cb -0.13 -2.53 -0.09 0.00 0.50 0.00 0.00 46.19 43.94 2jrr s LEU 52 CO 0.17 -0.06 1.82 -0.75 -1.32 0.00 0.00 176.35 176.21 2jrr s LYS 53 N 1.19 4.15 0.00 1.98 2.20 0.26 -1.70 119.74 127.82 2jrr s LYS 53 Ca 0.20 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.32 2jrr s LYS 53 Cb -0.15 -3.83 0.00 0.00 -1.51 0.00 0.00 37.83 32.35 2jrr s LYS 53 CO 0.08 -0.86 0.00 0.41 -0.36 0.00 0.00 175.35 174.62 2jrr n GLY 54 N 4.28 0.75 1.44 5.54 0.00 -1.26 -4.94 105.19 111.00 2jrr n GLY 54 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.18 1.61 2.88 -0.69 -4.87 113.62 113.21 2jrr n SER 55 Ca 0.00 -1.58 0.15 0.00 -1.33 0.00 0.00 58.87 56.11 2jrr n SER 55 Cb 0.00 -0.15 0.48 0.00 -0.75 0.00 0.00 64.21 63.80 2jrr n SER 55 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2jrr h LYS 56 N 0.00 0.45 -0.37 -1.46 1.79 -1.85 -1.12 116.57 114.01 2jrr h LYS 56 Ca -0.10 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 2jrr h LYS 56 Cb 0.46 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 2jrr h LYS 56 CO 0.15 0.30 0.00 0.00 -1.08 0.00 0.00 179.45 178.81 2jrr n ALA 57 N -2.51 2.45 -2.87 3.86 0.00 -1.26 -4.91 120.51 115.27 2jrr n ALA 57 Ca 0.15 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2jrr n ALA 57 Cb 0.52 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 0.93 0.00 -0.90 0.00 2.03 -0.42 -4.86 116.55 113.32 2jrr n ASP 58 Ca 0.17 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.37 2jrr n ASP 58 Cb 0.45 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.80 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 -0.18 0.88 -1.67 0.00 -1.26 -4.87 120.51 110.41 2jrr n ALA 59 Ca 0.00 0.19 0.06 0.00 0.00 0.00 0.00 53.44 53.69 2jrr n ALA 59 Cb 0.00 -1.57 0.15 0.00 0.00 0.00 0.00 19.45 18.03 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 -1.34 1.87 -4.56 0.00 -0.00 -1.26 -4.84 117.00 106.87 2jrr n LEU 60 Ca -0.12 -0.94 -0.22 0.00 -0.00 0.00 0.00 56.01 54.74 2jrr n LEU 60 Cb 0.50 -0.24 -0.06 0.00 -0.00 0.00 0.00 43.42 43.63 2jrr n LEU 60 CO 0.18 0.47 1.31 -0.70 -0.00 0.00 0.00 177.39 178.65 2jrr s GLU 61 N -1.54 2.17 -0.17 1.47 2.12 -1.26 -4.65 118.70 116.83 2jrr s GLU 61 Ca 0.23 0.08 0.14 0.00 0.36 0.00 0.00 54.97 55.78 2jrr s GLU 61 Cb 0.12 -4.92 -0.24 0.00 0.26 0.00 0.00 34.13 29.35 2jrr s GLU 61 CO 0.16 -3.79 0.16 0.72 -0.54 0.00 0.00 175.26 171.97 2jrr n HIS 62 N 15.86 0.25 0.00 5.30 8.25 -1.26 -4.96 115.22 138.65 2jrr n HIS 62 Ca 0.42 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.96 2jrr n HIS 62 Cb 0.46 -1.04 0.00 0.00 1.12 0.00 0.00 29.99 30.52 2jrr n HIS 62 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jrr n HIS 63 N -2.91 0.00 -1.76 4.41 -0.00 -1.26 -5.07 115.22 108.63 2jrr n HIS 63 Ca -0.31 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.63 2jrr n HIS 63 Cb 1.11 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.93 2jrr n HIS 63 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jrr s HIS 64 N -0.61 1.38 0.00 1.57 3.76 -1.26 -3.64 115.29 116.48 2jrr s HIS 64 Ca 0.00 1.41 0.00 0.00 -0.15 0.00 0.00 55.06 56.32 2jrr s HIS 64 Cb 0.00 -3.70 0.00 0.00 1.11 0.00 0.00 32.58 29.99 2jrr s HIS 64 CO 0.00 -1.84 0.00 1.58 -0.85 0.00 0.00 174.74 173.63 2jrr n HIS 65 N 16.29 0.00 -3.73 1.40 -0.00 -1.26 -4.88 115.22 123.04 2jrr n HIS 65 Ca 0.41 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.99 2jrr n HIS 65 Cb 0.47 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.38 2jrr n HIS 65 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2jrr s HIS 66 N -0.16 -0.24 0.00 1.57 -3.43 -1.24 -5.23 115.29 106.55 2jrr s HIS 66 Ca 0.00 0.38 0.00 0.00 -0.80 0.00 0.00 55.06 54.64 2jrr s HIS 66 Cb 0.00 0.14 0.00 0.00 -1.43 0.00 0.00 32.58 31.29 2jrr s HIS 66 CO 0.00 -0.42 0.00 1.58 -2.00 0.00 0.00 174.74 173.90