#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 4.45 0.51 2.03 -4.23 -1.26 -4.96 115.64 112.18 2jrr s THR 2 Ca 0.00 1.38 0.28 0.00 -1.18 0.00 0.00 61.69 62.17 2jrr s THR 2 Cb 0.00 -3.63 0.32 0.00 1.34 0.00 0.00 72.50 70.53 2jrr s THR 2 CO 0.00 -0.39 2.17 0.40 -0.54 0.00 0.00 174.62 176.26 2jrr h ILE 3 N 1.69 0.56 -5.29 2.99 5.03 -2.08 -3.47 117.51 116.94 2jrr h ILE 3 Ca -0.48 -0.25 -0.01 0.00 -0.12 0.00 0.00 64.86 64.00 2jrr h ILE 3 Cb 1.18 1.16 0.00 0.00 -3.03 0.00 0.00 36.82 36.13 2jrr h ILE 3 CO 0.61 0.06 -0.53 0.00 -0.68 0.00 0.00 178.15 177.61 2jrr n GLN 4 N -3.77 -2.43 0.03 2.37 1.13 -1.26 -4.97 117.38 108.48 2jrr n GLN 4 Ca -0.02 2.15 0.00 0.00 -1.94 0.00 0.00 57.00 57.18 2jrr n GLN 4 Cb 0.15 -5.63 0.00 0.00 0.11 0.00 0.00 30.24 24.87 2jrr n GLN 4 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jrr n ALA 5 N -0.26 0.00 -0.15 -1.58 0.00 -1.26 -4.97 120.51 112.29 2jrr n ALA 5 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.46 2jrr n ALA 5 Cb 0.45 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.51 1.93 -3.06 0.00 -0.04 -1.26 -4.81 135.00 125.25 2jrr n PRO 6 Ca 0.00 -1.61 -0.45 0.00 -0.04 0.00 0.00 63.50 61.40 2jrr n PRO 6 Cb 0.00 -1.68 -0.02 0.00 -0.04 0.00 0.00 33.50 31.76 2jrr n PRO 6 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2jrr s GLU 7 N -1.78 3.73 0.08 0.54 2.02 -1.26 -4.99 118.70 117.04 2jrr s GLU 7 Ca 0.30 -2.19 0.07 0.00 0.02 0.00 0.00 54.97 53.17 2jrr s GLU 7 Cb 0.25 -4.79 -0.03 0.00 0.10 0.00 0.00 34.13 29.66 2jrr s GLU 7 CO 0.06 -1.61 -0.19 0.99 0.02 0.00 0.00 175.26 174.53 2jrr s THR 8 N 1.56 1.54 -0.12 3.63 2.01 -1.26 -2.59 115.64 120.41 2jrr s THR 8 Ca 0.30 -1.40 0.03 0.00 0.31 0.00 0.00 61.69 60.93 2jrr s THR 8 Cb -0.06 -1.40 0.01 0.00 0.01 0.00 0.00 72.50 71.05 2jrr s THR 8 CO -0.08 -0.05 -0.23 -0.54 -0.69 0.00 0.00 174.62 173.04 2jrr s LYS 9 N -1.71 3.02 -0.65 4.92 1.02 0.13 -4.97 119.74 121.50 2jrr s LYS 9 Ca 0.05 -0.86 -0.20 0.00 0.02 0.00 0.00 55.97 54.97 2jrr s LYS 9 Cb -0.10 -2.37 0.10 0.00 -0.52 0.00 0.00 37.83 34.94 2jrr s LYS 9 CO 0.03 0.06 0.85 0.42 -0.92 0.00 0.00 175.35 175.79 2jrr s ILE 10 N 0.63 4.64 0.22 2.17 -1.09 -1.26 -0.05 121.20 126.46 2jrr s ILE 10 Ca -0.12 -0.84 0.03 0.00 -2.23 0.00 0.00 60.65 57.49 2jrr s ILE 10 Cb -0.16 -4.59 -0.03 0.00 -1.58 0.00 0.00 42.46 36.09 2jrr s ILE 10 CO 0.02 -1.29 0.36 0.68 -1.23 0.00 0.00 174.94 173.48 2jrr s VAL 11 N 3.16 5.26 -0.10 2.92 -7.23 -0.31 -4.84 120.40 119.25 2jrr s VAL 11 Ca 0.18 -0.79 0.05 0.00 -1.81 0.00 0.00 61.98 59.61 2jrr s VAL 11 Cb -0.19 -3.81 -0.24 0.00 0.56 0.00 0.00 36.38 32.69 2jrr s VAL 11 CO 0.06 -0.27 0.44 0.47 -0.31 0.00 0.00 175.10 175.49 2jrr n ASP 12 N -1.12 1.35 -4.88 4.85 9.92 -1.26 -1.16 116.55 124.25 2jrr n ASP 12 Ca -0.08 0.26 -0.31 0.00 -0.53 0.00 0.00 54.79 54.14 2jrr n ASP 12 Cb 0.56 -0.30 -0.05 0.00 -0.64 0.00 0.00 41.12 40.68 2jrr n ASP 12 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2jrr s LYS 13 N -2.57 3.78 0.23 -1.24 1.02 -1.26 -4.83 119.74 114.87 2jrr s LYS 13 Ca -0.14 0.26 0.12 0.00 0.02 0.00 0.00 55.97 56.24 2jrr s LYS 13 Cb 0.07 -2.61 0.07 0.00 -0.52 0.00 0.00 37.83 34.84 2jrr s LYS 13 CO 0.79 0.26 1.43 0.77 -0.92 0.00 0.00 175.35 177.69 2jrr h SER 14 N 2.28 0.00 -3.36 2.83 0.02 -1.94 -3.42 113.55 109.95 2jrr h SER 14 Ca -0.47 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 59.83 2jrr h SER 14 Cb 1.17 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.57 2jrr h SER 14 CO 0.68 0.69 0.27 -0.13 -1.14 0.00 0.00 176.83 177.20 2jrr s ARG 15 N -3.01 3.26 -0.22 3.45 0.52 -1.26 -0.90 118.95 120.79 2jrr s ARG 15 Ca 0.02 -0.47 -0.03 0.00 -0.52 0.00 0.00 55.73 54.73 2jrr s ARG 15 Cb 0.09 -4.03 0.01 0.00 0.52 0.00 0.00 34.95 31.54 2jrr s ARG 15 CO 0.77 -1.24 -0.07 0.08 0.02 0.00 0.00 175.30 174.86 2jrr s VAL 16 N 3.18 3.05 -0.64 3.52 1.01 -0.35 -4.95 120.40 125.22 2jrr s VAL 16 Ca 0.24 -0.71 -0.28 0.00 0.00 0.00 0.00 61.98 61.23 2jrr s VAL 16 Cb -0.15 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.83 2jrr s VAL 16 CO 0.17 0.37 1.34 0.00 0.00 0.00 0.00 175.10 176.99 2jrr s ALA 17 N 1.41 2.79 -1.08 5.51 0.00 -1.26 -1.17 121.76 127.95 2jrr s ALA 17 Ca 0.04 -0.97 -0.23 0.00 0.00 0.00 0.00 51.96 50.80 2jrr s ALA 17 Cb -0.15 -4.16 -0.06 0.00 0.00 0.00 0.00 23.12 18.75 2jrr s ALA 17 CO -0.05 -3.07 1.91 0.00 0.00 0.00 0.00 175.76 174.55 2jrr n ASP 19 N 13.72 -4.58 -3.57 0.00 8.00 -1.26 -4.56 116.55 124.29 2jrr n ASP 19 Ca 0.43 -1.10 -0.16 0.00 0.71 0.00 0.00 54.79 54.68 2jrr n ASP 19 Cb 0.47 -1.66 -0.06 0.00 -0.02 0.00 0.00 41.12 39.85 2jrr n ASP 19 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2jrr s GLY 20 N -3.19 -0.46 0.00 0.44 0.00 -1.25 -2.54 107.32 100.32 2jrr s GLY 20 Ca 0.18 0.89 0.00 0.00 0.00 0.00 0.00 44.72 45.79 2jrr s GLY 20 CO 0.93 0.57 0.00 0.61 0.00 0.00 0.00 173.10 175.21 2jrr n GLY 21 N 0.76 2.62 3.62 0.20 0.00 0.42 -4.31 105.19 108.50 2jrr n GLY 21 Ca -0.19 0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 4.25 4.04 0.00 1.61 2.02 -1.26 -2.71 118.70 126.65 2jrr s GLU 22 Ca 0.00 0.54 0.00 0.00 0.02 0.00 0.00 54.97 55.53 2jrr s GLU 22 Cb 0.00 -3.68 0.00 0.00 0.10 0.00 0.00 34.13 30.55 2jrr s GLU 22 CO 0.00 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.17 2jrr n GLY 23 N 4.18 0.57 0.25 -1.39 0.00 -1.26 -1.25 105.19 106.28 2jrr n GLY 23 Ca 0.01 0.42 0.17 0.00 0.00 0.00 0.00 46.02 46.62 2jrr n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jrr h ALA 24 N 0.00 1.00 0.00 4.61 0.00 -1.98 -1.88 119.26 121.01 2jrr h ALA 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jrr h ALA 24 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jrr h ALA 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 2jrr n LEU 25 N -2.74 0.00 0.00 0.00 4.77 -0.38 -5.00 117.00 113.64 2jrr n LEU 25 Ca -0.01 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2jrr n LEU 25 Cb 0.15 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2jrr n LEU 25 CO 0.19 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 2jrr n GLY 26 N 0.92 0.30 3.88 -0.72 0.00 -0.71 -3.68 105.19 105.18 2jrr n GLY 26 Ca 0.17 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 2jrr n GLY 26 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jrr s HIS 27 N 0.00 3.51 -0.30 1.61 3.76 -1.05 -4.53 115.29 118.29 2jrr s HIS 27 Ca 0.00 1.07 -0.14 0.00 -0.15 0.00 0.00 55.06 55.84 2jrr s HIS 27 Cb 0.00 -2.49 -0.15 0.00 1.11 0.00 0.00 32.58 31.06 2jrr s HIS 27 CO 0.00 -0.25 1.53 -2.30 -0.85 0.00 0.00 174.74 172.88 2jrr n PRO 28 N -1.73 0.63 -3.16 8.40 -0.02 -1.24 0.16 135.00 138.04 2jrr n PRO 28 Ca 0.03 -1.05 -0.21 0.00 -2.02 0.00 0.00 63.50 60.25 2jrr n PRO 28 Cb 0.54 -2.38 0.02 0.00 -0.02 0.00 0.00 33.50 31.66 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 6.08 -2.10 -3.65 -0.52 3.00 -1.10 -4.88 116.66 113.49 2jrr n ARG 29 Ca 0.30 1.76 -0.39 0.00 -0.00 0.00 0.00 57.85 59.53 2jrr n ARG 29 Cb 0.22 -3.67 -0.12 0.00 0.00 0.00 0.00 32.46 28.89 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 -1.90 4.54 -0.24 5.15 -7.23 -1.26 -4.99 120.40 114.47 2jrr s VAL 30 Ca 0.27 -0.52 -0.09 0.00 -1.81 0.00 0.00 61.98 59.83 2jrr s VAL 30 Cb -0.05 -3.36 -0.04 0.00 0.56 0.00 0.00 36.38 33.49 2jrr s VAL 30 CO 0.76 0.02 0.13 0.26 -0.31 0.00 0.00 175.10 175.95 2jrr s TRP 31 N 1.59 3.25 -0.08 2.82 0.52 -1.26 -0.95 118.94 124.83 2jrr s TRP 31 Ca 0.04 0.07 0.04 0.00 0.02 0.00 0.00 56.10 56.27 2jrr s TRP 31 Cb -0.17 -2.24 -0.01 0.00 -1.15 0.00 0.00 33.47 29.89 2jrr s TRP 31 CO 0.06 -0.02 -0.20 -0.51 0.02 0.00 0.00 176.95 176.30 2jrr s LEU 32 N 1.12 2.35 -0.32 2.99 1.02 -0.32 -4.95 118.68 120.57 2jrr s LEU 32 Ca 0.06 -0.42 -0.18 0.00 0.02 0.00 0.00 54.13 53.62 2jrr s LEU 32 Cb -0.14 -1.47 -0.01 0.00 0.02 0.00 0.00 46.19 44.59 2jrr s LEU 32 CO 0.04 0.23 0.49 -1.58 0.02 0.00 0.00 176.35 175.56 2jrr s GLN 33 N -0.07 3.75 0.07 1.70 2.00 -1.26 -1.21 119.66 124.63 2jrr s GLN 33 Ca -0.05 -0.06 -0.30 0.00 -2.00 0.00 0.00 55.36 52.95 2jrr s GLN 33 Cb -0.14 -3.76 -0.09 0.00 0.80 0.00 0.00 33.01 29.81 2jrr s GLN 33 CO 0.04 -0.55 1.83 0.42 -0.50 0.00 0.00 175.29 176.54 2jrr s ILE 34 N 2.33 2.88 0.22 -2.34 1.01 -0.07 -4.98 121.20 120.25 2jrr s ILE 34 Ca 0.19 0.18 -0.28 0.00 0.00 0.00 0.00 60.65 60.73 2jrr s ILE 34 Cb -0.16 -3.11 -0.09 0.00 0.01 0.00 0.00 42.46 39.11 2jrr s ILE 34 CO 0.12 -0.01 0.89 -2.16 0.00 0.00 0.00 174.94 173.79 2jrr s PRO 35 N 3.41 4.76 0.33 2.79 0.04 -1.26 -4.95 135.00 140.12 2jrr s PRO 35 Ca 0.81 1.38 0.14 0.00 0.04 0.00 0.00 61.00 63.38 2jrr s PRO 35 Cb -0.43 -3.26 0.57 0.00 0.04 0.00 0.00 34.50 31.43 2jrr s PRO 35 CO 0.37 0.53 1.72 1.49 0.04 0.00 0.00 177.00 181.14 2jrr h GLU 36 N 4.17 0.00 0.00 4.56 4.81 -1.95 0.19 114.58 126.36 2jrr h GLU 36 Ca -0.46 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 2jrr h GLU 36 Cb 1.20 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 2jrr h GLU 36 CO 0.67 0.47 -0.04 0.38 -0.73 0.00 0.00 179.01 179.77 2jrr h ASP 37 N 0.00 0.00 0.00 1.04 2.03 -1.98 -3.31 116.42 114.20 2jrr h ASP 37 Ca -0.00 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.15 2jrr h ASP 37 Cb 0.90 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.38 2jrr h ASP 37 CO 0.06 0.04 -1.28 0.35 -1.03 0.00 0.00 179.24 177.38 2jrr n THR 38 N -3.76 1.02 0.00 1.15 -2.24 -1.11 -5.04 114.28 104.29 2jrr n THR 38 Ca -0.03 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2jrr n THR 38 Cb 0.13 -1.81 0.00 0.00 -2.10 0.00 0.00 70.33 66.56 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 2.25 0.59 3.40 3.38 0.00 0.67 -3.64 105.19 111.84 2jrr n GLY 39 Ca -0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.03 -0.09 1.61 1.48 -1.26 -1.57 118.94 117.09 2jrr s TRP 40 Ca 0.00 -0.31 -0.03 0.00 -1.06 0.00 0.00 56.10 54.69 2jrr s TRP 40 Cb 0.00 0.23 0.05 0.00 -1.16 0.00 0.00 33.47 32.59 2jrr s TRP 40 CO 0.00 -0.78 0.14 0.54 -4.06 0.00 0.00 176.95 172.79 2jrr s VAL 41 N -3.87 -0.23 -0.45 -0.66 0.11 0.29 -4.42 120.40 111.17 2jrr s VAL 41 Ca 0.08 0.31 -0.15 0.00 -2.93 0.00 0.00 61.98 59.29 2jrr s VAL 41 Cb 0.01 -0.31 0.06 0.00 -1.53 0.00 0.00 36.38 34.61 2jrr s VAL 41 CO -0.06 0.10 0.37 -1.83 -3.33 0.00 0.00 175.10 170.35 2jrr s GLU 42 N 2.26 2.98 0.06 1.54 -1.05 -1.26 -0.28 118.70 122.95 2jrr s GLU 42 Ca 0.04 -1.25 -0.30 0.00 -0.15 0.00 0.00 54.97 53.30 2jrr s GLU 42 Cb -0.12 -4.09 -0.05 0.00 -0.44 0.00 0.00 34.13 29.42 2jrr s GLU 42 CO -0.06 -0.95 1.13 0.00 0.95 0.00 0.00 175.26 176.33 2jrr h PRO 44 N 6.54 0.00 0.13 0.00 0.13 -1.97 0.27 132.00 137.10 2jrr h PRO 44 Ca -0.42 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.43 2jrr h PRO 44 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2jrr h PRO 44 CO 0.78 0.00 -1.40 1.88 -0.23 0.00 0.00 178.00 179.03 2jrr h TYR 45 N 0.00 0.50 0.00 1.56 0.05 -1.94 -3.38 116.97 113.76 2jrr h TYR 45 Ca 0.00 -0.37 0.00 0.00 0.05 0.00 0.00 58.73 58.41 2jrr h TYR 45 Cb 0.36 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.08 2jrr h TYR 45 CO 0.00 1.55 -1.51 0.00 -1.05 0.00 0.00 178.16 177.14 2jrr n ASP 47 N -2.19 -4.52 -4.40 0.00 2.03 0.94 -5.00 116.55 103.42 2jrr n ASP 47 Ca -0.01 0.31 -0.25 0.00 0.52 0.00 0.00 54.79 55.36 2jrr n ASP 47 Cb 0.51 -3.14 -0.12 0.00 -0.72 0.00 0.00 41.12 37.66 2jrr n ASP 47 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jrr s LYS 49 N -2.74 3.92 -0.27 0.00 2.20 -1.07 -1.27 119.74 120.52 2jrr s LYS 49 Ca 0.20 -0.06 -0.02 0.00 -0.36 0.00 0.00 55.97 55.73 2jrr s LYS 49 Cb -0.07 -3.32 0.03 0.00 -1.51 0.00 0.00 37.83 32.96 2jrr s LYS 49 CO 0.09 0.49 -0.04 0.71 -0.36 0.00 0.00 175.35 176.24 2jrr s TYR 50 N -0.24 3.14 -0.19 4.03 2.02 0.61 0.21 117.35 126.93 2jrr s TYR 50 Ca 0.14 -1.68 -0.13 0.00 -0.37 0.00 0.00 57.07 55.04 2jrr s TYR 50 Cb -0.12 -2.07 -0.05 0.00 -0.40 0.00 0.00 41.96 39.32 2jrr s TYR 50 CO 0.03 -0.76 0.25 0.08 -1.57 0.00 0.00 175.55 173.58 2jrr s VAL 51 N 1.30 5.33 -0.36 0.71 1.01 0.92 -0.54 120.40 128.76 2jrr s VAL 51 Ca -0.02 0.42 -0.29 0.00 0.00 0.00 0.00 61.98 62.09 2jrr s VAL 51 Cb -0.18 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.63 2jrr s VAL 51 CO -0.03 0.37 1.17 -0.22 0.00 0.00 0.00 175.10 176.39 2jrr s LEU 52 N 0.68 3.82 0.02 3.92 2.96 -0.61 -1.16 118.68 128.31 2jrr s LEU 52 Ca 0.13 0.93 -0.30 0.00 -0.22 0.00 0.00 54.13 54.67 2jrr s LEU 52 Cb -0.13 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.94 2jrr s LEU 52 CO 0.03 -1.06 1.78 -0.75 -1.32 0.00 0.00 176.35 175.03 2jrr s LYS 53 N 4.08 4.17 0.00 1.98 2.20 -0.31 -1.93 119.74 129.93 2jrr s LYS 53 Ca 0.50 2.41 0.00 0.00 -0.36 0.00 0.00 55.97 58.52 2jrr s LYS 53 Cb -0.12 -3.92 0.00 0.00 -1.51 0.00 0.00 37.83 32.28 2jrr s LYS 53 CO 0.23 -0.86 0.00 0.41 -0.36 0.00 0.00 175.35 174.77 2jrr n GLY 54 N 4.25 0.79 0.00 5.54 0.00 -1.26 -4.92 105.19 109.59 2jrr n GLY 54 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2jrr n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jrr n SER 55 N 0.28 0.73 0.32 1.61 3.41 -0.81 -4.93 113.62 114.23 2jrr n SER 55 Ca 0.00 -0.67 0.21 0.00 -0.26 0.00 0.00 58.87 58.15 2jrr n SER 55 Cb 0.00 0.00 1.04 0.00 -0.26 0.00 0.00 64.21 64.99 2jrr n SER 55 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2jrr h LYS 56 N 0.00 0.00 -0.02 4.33 3.64 -1.84 -1.63 116.57 121.05 2jrr h LYS 56 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jrr h LYS 56 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2jrr h LYS 56 CO 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 179.45 177.10 2jrr n ALA 57 N -2.10 2.71 -2.44 5.00 0.00 -1.24 -4.89 120.51 117.55 2jrr n ALA 57 Ca -0.02 -0.54 -0.22 0.00 0.00 0.00 0.00 53.44 52.67 2jrr n ALA 57 Cb 0.15 -1.01 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.12 2.27 -0.43 0.00 2.15 -0.61 -4.96 116.67 112.98 2jrr s ASP 58 Ca 0.31 -1.48 -0.10 0.00 0.43 0.00 0.00 52.55 51.70 2jrr s ASP 58 Cb 0.20 0.18 0.01 0.00 -0.30 0.00 0.00 42.92 43.01 2jrr s ASP 58 CO 0.37 -0.75 0.52 0.00 -0.17 0.00 0.00 175.17 175.15 2jrr n ALA 59 N -0.72 -2.85 0.27 3.66 0.00 -1.26 -4.53 120.51 115.08 2jrr n ALA 59 Ca -0.03 0.75 -0.11 0.00 0.00 0.00 0.00 53.44 54.05 2jrr n ALA 59 Cb 0.66 -2.72 -0.05 0.00 0.00 0.00 0.00 19.45 17.34 2jrr n ALA 59 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jrr h LEU 60 N 1.36 -0.61 -1.20 0.00 3.38 -1.96 -3.22 115.31 113.06 2jrr h LEU 60 Ca 0.00 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2jrr h LEU 60 Cb 0.88 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2jrr h LEU 60 CO 0.19 -0.33 -0.29 1.05 0.09 0.00 0.00 178.44 179.15 2jrr h GLU 61 N -0.93 0.00 -0.34 1.13 -0.00 -2.02 -3.47 114.58 108.95 2jrr h GLU 61 Ca -0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 59.36 59.16 2jrr h GLU 61 Cb 0.55 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 29.25 2jrr h GLU 61 CO 0.12 0.29 -0.12 1.58 -0.00 0.00 0.00 179.01 180.88 2jrr n HIS 62 N -3.57 -0.02 0.73 2.06 -0.00 -1.22 -4.88 115.22 108.32 2jrr n HIS 62 Ca -0.01 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.85 2jrr n HIS 62 Cb 0.43 -1.41 0.45 0.00 -0.00 0.00 0.00 29.99 29.46 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 -2.92 0.66 -2.54 1.57 -0.00 -1.26 -4.40 115.22 106.33 2jrr n HIS 63 Ca -0.06 0.19 -0.41 0.00 -0.00 0.00 0.00 57.72 57.44 2jrr n HIS 63 Cb 0.23 -0.81 -0.03 0.00 -0.00 0.00 0.00 29.99 29.38 2jrr n HIS 63 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jrr s HIS 64 N -3.07 2.43 0.19 1.57 5.04 -1.26 -5.00 115.29 115.19 2jrr s HIS 64 Ca 0.11 -0.56 -0.20 0.00 -1.54 0.00 0.00 55.06 52.88 2jrr s HIS 64 Cb 0.14 -4.66 -0.08 0.00 0.04 0.00 0.00 32.58 28.02 2jrr s HIS 64 CO 0.59 -1.98 0.69 -3.38 -2.34 0.00 0.00 174.74 168.32 2jrr s HIS 65 N 5.36 3.68 -0.30 3.88 -3.43 -1.26 -5.05 115.29 118.18 2jrr s HIS 65 Ca 0.44 1.36 -0.17 0.00 -0.80 0.00 0.00 55.06 55.89 2jrr s HIS 65 Cb -0.03 -2.59 0.19 0.00 -1.43 0.00 0.00 32.58 28.72 2jrr s HIS 65 CO -0.02 0.39 1.17 -3.38 -2.00 0.00 0.00 174.74 170.89 2jrr s HIS 66 N -1.44 -0.28 0.00 0.38 -3.43 -1.26 -5.25 115.29 104.00 2jrr s HIS 66 Ca 0.40 0.51 0.00 0.00 -0.80 0.00 0.00 55.06 55.18 2jrr s HIS 66 Cb -0.17 0.17 0.00 0.00 -1.43 0.00 0.00 32.58 31.14 2jrr s HIS 66 CO 0.21 -0.14 0.49 0.72 -2.00 0.00 0.00 174.74 174.02