#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrr n THR 2 N 0.00 0.65 0.00 3.17 -2.24 -1.26 -5.01 114.28 109.59 2jrr n THR 2 Ca 0.00 0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 2jrr n THR 2 Cb 0.00 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 2jrr n THR 2 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2jrr n ILE 3 N -3.37 0.00 -0.88 2.28 5.41 -1.26 -3.97 119.36 117.58 2jrr n ILE 3 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2jrr n ILE 3 Cb 0.06 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.99 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 -1.20 -1.07 -2.72 0.38 1.13 -1.26 -4.76 117.38 107.88 2jrr n GLN 4 Ca 0.00 0.27 -0.08 0.00 -1.94 0.00 0.00 57.00 55.24 2jrr n GLN 4 Cb 0.00 -4.41 0.10 0.00 0.11 0.00 0.00 30.24 26.04 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 1.00 -0.10 -0.42 -1.58 0.00 -1.25 -5.03 120.51 113.13 2jrr n ALA 5 Ca 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 53.44 52.01 2jrr n ALA 5 Cb 0.27 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.04 1.07 -2.07 0.00 -0.04 -1.26 -4.68 135.00 128.06 2jrr n PRO 6 Ca 0.03 -0.15 -0.41 0.00 -0.04 0.00 0.00 63.50 62.93 2jrr n PRO 6 Cb 0.75 -1.06 -0.02 0.00 -0.04 0.00 0.00 33.50 33.13 2jrr n PRO 6 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2jrr s GLU 7 N -0.17 4.30 0.03 0.54 2.12 -1.26 -4.80 118.70 119.46 2jrr s GLU 7 Ca 0.03 2.23 0.00 0.00 0.36 0.00 0.00 54.97 57.59 2jrr s GLU 7 Cb 0.02 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 2jrr s GLU 7 CO -0.00 -0.37 0.10 0.99 -0.54 0.00 0.00 175.26 175.44 2jrr s THR 8 N 0.00 4.79 -0.16 -1.70 2.01 -1.26 -1.54 115.64 117.78 2jrr s THR 8 Ca 0.58 -0.50 -0.02 0.00 0.31 0.00 0.00 61.69 62.06 2jrr s THR 8 Cb -0.40 -3.24 0.05 0.00 0.01 0.00 0.00 72.50 68.92 2jrr s THR 8 CO 0.42 0.26 0.03 -0.54 -0.69 0.00 0.00 174.62 174.09 2jrr s LYS 9 N -2.02 0.64 -0.52 4.92 1.02 0.52 -4.95 119.74 119.35 2jrr s LYS 9 Ca 0.26 -0.25 -0.24 0.00 0.02 0.00 0.00 55.97 55.76 2jrr s LYS 9 Cb -0.12 -1.76 0.04 0.00 -0.52 0.00 0.00 37.83 35.46 2jrr s LYS 9 CO 0.18 -0.54 0.90 0.42 -0.92 0.00 0.00 175.35 175.39 2jrr s ILE 10 N 1.90 4.46 0.23 2.17 1.01 -1.26 -0.50 121.20 129.22 2jrr s ILE 10 Ca 0.01 0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.99 2jrr s ILE 10 Cb -0.16 -4.48 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 2jrr s ILE 10 CO -0.07 -0.99 0.43 0.68 0.00 0.00 0.00 174.94 174.98 2jrr s VAL 11 N 3.75 5.17 -2.52 2.92 -7.23 0.32 -4.85 120.40 117.97 2jrr s VAL 11 Ca 0.31 -0.36 0.23 0.00 -1.81 0.00 0.00 61.98 60.35 2jrr s VAL 11 Cb -0.12 -3.76 0.41 0.00 0.56 0.00 0.00 36.38 33.47 2jrr s VAL 11 CO 0.21 -0.25 1.48 0.47 -0.31 0.00 0.00 175.10 176.69 2jrr n ASP 12 N -0.89 2.48 -4.13 4.85 8.00 -1.26 -1.29 116.55 124.31 2jrr n ASP 12 Ca -0.05 -1.83 -0.13 0.00 0.71 0.00 0.00 54.79 53.50 2jrr n ASP 12 Cb 0.54 -0.12 -0.11 0.00 -0.02 0.00 0.00 41.12 41.42 2jrr n ASP 12 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2jrr s LYS 13 N -1.77 0.73 0.17 -1.24 -2.85 -1.26 -4.92 119.74 108.60 2jrr s LYS 13 Ca 0.34 -1.09 0.03 0.00 -1.00 0.00 0.00 55.97 54.26 2jrr s LYS 13 Cb 0.20 -0.33 0.01 0.00 -2.06 0.00 0.00 37.83 35.65 2jrr s LYS 13 CO 0.30 0.03 1.39 0.77 0.10 0.00 0.00 175.35 177.94 2jrr h SER 14 N 3.67 0.25 -3.36 0.03 0.02 -1.91 -3.43 113.55 108.81 2jrr h SER 14 Ca -0.36 -0.20 -0.66 0.00 -0.84 0.00 0.00 61.79 59.74 2jrr h SER 14 Cb 1.18 -0.07 -0.28 0.00 0.14 0.00 0.00 62.40 63.37 2jrr h SER 14 CO 0.53 0.99 -0.74 0.00 -1.14 0.00 0.00 176.83 176.47 2jrr s ARG 15 N -3.23 3.35 -0.06 3.45 1.70 -1.26 -0.52 118.95 122.38 2jrr s ARG 15 Ca -0.03 -0.65 0.03 0.00 -0.47 0.00 0.00 55.73 54.62 2jrr s ARG 15 Cb 0.10 -2.93 0.01 0.00 -0.57 0.00 0.00 34.95 31.55 2jrr s ARG 15 CO 0.82 -0.15 -0.14 0.08 -1.08 0.00 0.00 175.30 174.83 2jrr s VAL 16 N 1.33 1.27 -1.04 4.99 1.01 -0.81 -4.92 120.40 122.23 2jrr s VAL 16 Ca 0.04 -0.59 -0.21 0.00 0.00 0.00 0.00 61.98 61.22 2jrr s VAL 16 Cb -0.14 -1.13 0.08 0.00 0.00 0.00 0.00 36.38 35.19 2jrr s VAL 16 CO -0.03 0.38 1.40 0.00 0.00 0.00 0.00 175.10 176.84 2jrr s ALA 17 N 0.38 3.03 -0.54 5.51 0.00 -1.26 -0.75 121.76 128.14 2jrr s ALA 17 Ca -0.10 -2.53 -0.27 0.00 0.00 0.00 0.00 51.96 49.05 2jrr s ALA 17 Cb -0.14 -4.40 -0.01 0.00 0.00 0.00 0.00 23.12 18.58 2jrr s ALA 17 CO 0.03 -3.37 1.66 0.00 0.00 0.00 0.00 175.76 174.08 2jrr n ASP 19 N 10.92 -4.01 -4.00 0.00 2.03 -1.26 -4.80 116.55 115.42 2jrr n ASP 19 Ca 0.17 0.32 -0.31 0.00 0.52 0.00 0.00 54.79 55.49 2jrr n ASP 19 Cb 0.50 -3.62 -0.16 0.00 -0.72 0.00 0.00 41.12 37.12 2jrr n ASP 19 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2jrr s GLY 20 N -2.20 1.39 -1.37 0.27 0.00 -1.23 -2.17 107.32 102.01 2jrr s GLY 20 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.30 2jrr s GLY 20 CO 0.00 0.74 0.00 0.61 0.00 0.00 0.00 173.10 174.45 2jrr n GLY 21 N 4.60 0.26 0.00 0.20 0.00 -0.19 -3.82 105.19 106.24 2jrr n GLY 21 Ca -0.14 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.47 3.99 -0.30 1.61 -0.58 -1.26 -4.78 120.64 116.85 2jrr n GLU 22 Ca -0.17 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.67 2jrr n GLU 22 Cb 0.59 0.00 0.23 0.00 -0.57 0.00 0.00 31.44 31.69 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 1.06 -0.98 0.62 0.00 -1.95 0.15 103.07 101.97 2jrr h GLY 23 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2jrr h GLY 23 CO 0.00 -0.40 -0.28 0.00 0.00 0.00 0.00 176.54 175.86 2jrr n ALA 24 N -3.05 3.12 -2.05 3.60 0.00 -1.26 -4.96 120.51 115.91 2jrr n ALA 24 Ca 0.19 -0.60 -0.03 0.00 0.00 0.00 0.00 53.44 52.99 2jrr n ALA 24 Cb 0.62 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 19.18 2jrr n ALA 24 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2jrr n LEU 25 N 0.24 -0.29 0.07 0.00 -0.00 0.51 -4.84 117.00 112.68 2jrr n LEU 25 Ca 0.12 0.31 -0.04 0.00 -0.00 0.00 0.00 56.01 56.40 2jrr n LEU 25 Cb 0.47 -1.18 -0.02 0.00 -0.00 0.00 0.00 43.42 42.69 2jrr n LEU 25 CO 0.24 -0.08 0.51 1.23 -0.00 0.00 0.00 177.39 179.28 2jrr h GLY 26 N 0.00 -0.71 -1.61 1.47 0.00 -1.85 -3.35 103.07 97.02 2jrr h GLY 26 Ca -0.08 0.31 -0.49 0.00 0.00 0.00 0.00 47.33 47.07 2jrr h GLY 26 CO 0.10 -0.25 0.38 0.30 0.00 0.00 0.00 176.54 177.07 2jrr s HIS 27 N -3.57 3.27 0.00 5.60 3.76 -0.92 -4.80 115.29 118.63 2jrr s HIS 27 Ca -0.04 1.45 -0.03 0.00 -0.15 0.00 0.00 55.06 56.29 2jrr s HIS 27 Cb 0.01 -2.87 -0.15 0.00 1.11 0.00 0.00 32.58 30.68 2jrr s HIS 27 CO 0.12 -0.81 2.31 -2.30 -0.85 0.00 0.00 174.74 173.21 2jrr n PRO 28 N -2.18 1.18 -2.30 8.40 -0.02 -1.26 -1.03 135.00 137.79 2jrr n PRO 28 Ca 0.07 -0.54 -0.02 0.00 -2.02 0.00 0.00 63.50 60.99 2jrr n PRO 28 Cb 0.54 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 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 2.54 -1.94 -3.70 -0.52 3.00 -1.25 -4.90 116.66 109.88 2jrr n ARG 29 Ca 0.23 1.79 -0.38 0.00 -0.00 0.00 0.00 57.85 59.49 2jrr n ARG 29 Cb 0.55 -3.93 -0.12 0.00 0.00 0.00 0.00 32.46 28.95 2jrr n ARG 29 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2jrr s VAL 30 N -1.43 4.15 -0.29 5.15 1.01 -1.25 -4.96 120.40 122.78 2jrr s VAL 30 Ca 0.06 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 2jrr s VAL 30 Cb -0.02 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 2jrr s VAL 30 CO 0.49 -0.07 0.42 0.26 0.00 0.00 0.00 175.10 176.20 2jrr s TRP 31 N 1.50 3.23 -0.40 5.22 0.52 -1.26 -2.45 118.94 125.30 2jrr s TRP 31 Ca 0.02 0.34 -0.18 0.00 0.02 0.00 0.00 56.10 56.29 2jrr s TRP 31 Cb -0.18 -2.67 0.01 0.00 -1.15 0.00 0.00 33.47 29.48 2jrr s TRP 31 CO 0.04 -0.32 0.51 -0.51 0.02 0.00 0.00 176.95 176.69 2jrr s LEU 32 N 2.15 4.60 -0.44 2.99 1.02 0.07 -4.90 118.68 124.18 2jrr s LEU 32 Ca 0.16 -0.38 -0.20 0.00 0.02 0.00 0.00 54.13 53.72 2jrr s LEU 32 Cb -0.16 -2.53 0.02 0.00 0.02 0.00 0.00 46.19 43.54 2jrr s LEU 32 CO 0.11 -0.60 0.62 -1.58 0.02 0.00 0.00 176.35 174.92 2jrr s GLN 33 N 2.39 3.26 -0.20 1.70 2.00 -1.26 -1.93 119.66 125.63 2jrr s GLN 33 Ca 0.17 -0.42 -0.29 0.00 -2.00 0.00 0.00 55.36 52.82 2jrr s GLN 33 Cb -0.16 -3.95 -0.01 0.00 0.80 0.00 0.00 33.01 29.69 2jrr s GLN 33 CO 0.15 -0.99 1.25 0.42 -0.50 0.00 0.00 175.29 175.62 2jrr s ILE 34 N 2.73 4.29 0.26 -2.34 1.01 0.32 -4.98 121.20 122.49 2jrr s ILE 34 Ca 0.21 1.54 -0.18 0.00 0.00 0.00 0.00 60.65 62.22 2jrr s ILE 34 Cb -0.14 -4.05 -0.09 0.00 0.01 0.00 0.00 42.46 38.19 2jrr s ILE 34 CO 0.18 -0.20 0.74 -2.16 0.00 0.00 0.00 174.94 173.50 2jrr s PRO 35 N 3.59 4.18 0.01 2.79 0.04 -1.26 -4.92 135.00 139.43 2jrr s PRO 35 Ca 0.54 0.82 0.16 0.00 0.04 0.00 0.00 61.00 62.56 2jrr s PRO 35 Cb -0.20 -2.72 0.68 0.00 0.04 0.00 0.00 34.50 32.30 2jrr s PRO 35 CO 0.15 0.31 1.51 -0.85 0.04 0.00 0.00 177.00 178.16 2jrr n GLU 36 N 0.35 0.01 -0.28 4.56 0.00 -1.26 -0.42 120.64 123.59 2jrr n GLU 36 Ca -0.00 0.23 -0.06 0.00 0.00 0.00 0.00 57.16 57.33 2jrr n GLU 36 Cb 0.52 -1.51 0.06 0.00 0.00 0.00 0.00 31.44 30.51 2jrr n GLU 36 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2jrr h ASP 37 N 0.00 1.05 0.00 -1.84 5.19 -1.99 -3.39 116.42 115.44 2jrr h ASP 37 Ca 0.00 -0.16 -0.16 0.00 -0.62 0.00 0.00 57.03 56.09 2jrr h ASP 37 Cb 0.28 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 2jrr h ASP 37 CO 0.00 0.92 -1.36 0.35 -3.12 0.00 0.00 179.24 176.03 2jrr n THR 38 N -4.33 1.08 -0.02 0.35 -2.24 -0.97 -5.03 114.28 103.12 2jrr n THR 38 Ca 0.07 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2jrr n THR 38 Cb 0.17 -1.84 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 2.13 0.56 3.64 3.38 0.00 0.43 -4.58 105.19 110.76 2jrr n GLY 39 Ca -0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.04 -0.10 -0.07 1.61 1.48 -1.26 -1.40 118.94 117.16 2jrr s TRP 40 Ca 0.00 -0.27 -0.06 0.00 -1.06 0.00 0.00 56.10 54.71 2jrr s TRP 40 Cb 0.00 0.48 0.03 0.00 -1.16 0.00 0.00 33.47 32.82 2jrr s TRP 40 CO 0.00 -1.03 0.19 0.54 -4.06 0.00 0.00 176.95 172.59 2jrr s VAL 41 N -3.90 -0.02 -0.07 -0.66 0.11 0.35 -4.56 120.40 111.66 2jrr s VAL 41 Ca 0.11 0.06 -0.18 0.00 -2.93 0.00 0.00 61.98 59.04 2jrr s VAL 41 Cb -0.03 -0.28 -0.05 0.00 -1.53 0.00 0.00 36.38 34.49 2jrr s VAL 41 CO 0.02 0.02 0.48 -1.83 -3.33 0.00 0.00 175.10 170.45 2jrr s GLU 42 N 0.48 4.23 -0.44 1.54 1.03 -1.26 -0.55 118.70 123.73 2jrr s GLU 42 Ca -0.03 0.48 -0.12 0.00 0.03 0.00 0.00 54.97 55.33 2jrr s GLU 42 Cb -0.05 -3.36 0.07 0.00 -0.80 0.00 0.00 34.13 29.99 2jrr s GLU 42 CO -0.02 0.33 0.31 0.00 -1.33 0.00 0.00 175.26 174.55 2jrr n PRO 44 N 5.04 0.51 -0.02 0.00 -0.04 -1.26 -0.63 135.00 138.59 2jrr n PRO 44 Ca -0.11 0.04 -0.22 0.00 -0.04 0.00 0.00 63.50 63.17 2jrr n PRO 44 Cb 0.43 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.26 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 -1.13 1.15 0.05 0.54 4.02 -1.26 -4.58 117.16 115.95 2jrr n TYR 45 Ca 0.13 0.29 0.01 0.00 -0.01 0.00 0.00 57.90 58.32 2jrr n TYR 45 Cb 0.11 -1.14 0.01 0.00 -0.02 0.00 0.00 39.34 38.30 2jrr n TYR 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jrr n ASP 47 N 0.02 -2.62 -3.78 0.00 9.92 0.19 -5.03 116.55 115.25 2jrr n ASP 47 Ca 0.01 -0.65 -0.10 0.00 -0.53 0.00 0.00 54.79 53.52 2jrr n ASP 47 Cb 0.09 -5.04 -0.07 0.00 -0.64 0.00 0.00 41.12 35.46 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 -3.24 3.67 -0.29 0.00 2.20 -0.59 -0.81 119.74 120.68 2jrr s LYS 49 Ca -0.00 -0.47 -0.12 0.00 -0.36 0.00 0.00 55.97 55.02 2jrr s LYS 49 Cb 0.02 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 2jrr s LYS 49 CO -0.08 -0.10 0.21 0.71 -0.36 0.00 0.00 175.35 175.73 2jrr s TYR 50 N 1.37 3.22 -0.11 4.03 1.51 0.28 -0.36 117.35 127.30 2jrr s TYR 50 Ca 0.05 0.10 -0.06 0.00 -1.01 0.00 0.00 57.07 56.16 2jrr s TYR 50 Cb -0.15 -2.41 -0.04 0.00 -0.11 0.00 0.00 41.96 39.25 2jrr s TYR 50 CO 0.03 -0.19 0.10 0.08 -1.11 0.00 0.00 175.55 174.46 2jrr s VAL 51 N 1.78 5.19 -0.28 0.71 1.01 0.34 -0.49 120.40 128.66 2jrr s VAL 51 Ca 0.08 0.09 -0.22 0.00 0.00 0.00 0.00 61.98 61.93 2jrr s VAL 51 Cb -0.16 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 2jrr s VAL 51 CO 0.11 0.62 0.69 -0.22 0.00 0.00 0.00 175.10 176.30 2jrr s LEU 52 N -0.99 4.09 0.23 3.92 2.96 -0.50 -0.52 118.68 127.88 2jrr s LEU 52 Ca 0.15 0.67 -0.31 0.00 -0.22 0.00 0.00 54.13 54.42 2jrr s LEU 52 Cb -0.12 -2.94 -0.10 0.00 0.50 0.00 0.00 46.19 43.53 2jrr s LEU 52 CO 0.04 -0.47 1.53 -0.75 -1.32 0.00 0.00 176.35 175.38 2jrr s LYS 53 N 2.67 4.21 0.00 1.98 2.20 -0.41 -2.36 119.74 128.03 2jrr s LYS 53 Ca 0.28 2.40 0.00 0.00 -0.36 0.00 0.00 55.97 58.30 2jrr s LYS 53 Cb -0.15 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 2jrr s LYS 53 CO 0.10 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 174.95 2jrr n GLY 54 N 2.79 1.32 3.85 5.54 0.00 -1.24 -4.95 105.19 112.50 2jrr n GLY 54 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2jrr n GLY 54 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jrr s SER 55 N -2.97 2.23 0.43 1.61 0.15 -0.99 -4.89 113.70 109.26 2jrr s SER 55 Ca 0.00 0.23 0.18 0.00 0.70 0.00 0.00 55.95 57.06 2jrr s SER 55 Cb 0.00 -0.21 0.98 0.00 -1.71 0.00 0.00 66.02 65.08 2jrr s SER 55 CO 0.00 -3.28 1.91 0.50 1.20 0.00 0.00 173.24 173.57 2jrr h LYS 56 N -2.02 0.00 0.00 5.44 3.64 -1.90 -2.23 116.57 119.50 2jrr h LYS 56 Ca -0.44 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.85 2jrr h LYS 56 Cb 1.23 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 2jrr h LYS 56 CO 0.30 0.27 -0.44 0.00 -2.27 0.00 0.00 179.45 177.31 2jrr h ALA 57 N 1.73 0.81 -3.04 5.00 0.00 -1.86 -3.39 119.26 118.51 2jrr h ALA 57 Ca -0.00 -0.40 -0.71 0.00 0.00 0.00 0.00 54.91 53.80 2jrr h ALA 57 Cb 0.55 -0.07 -0.35 0.00 0.00 0.00 0.00 17.79 17.92 2jrr h ALA 57 CO 0.03 0.55 -0.24 0.34 0.00 0.00 0.00 179.25 179.94 2jrr s ASP 58 N -6.43 5.59 -0.02 0.00 2.15 -0.84 -4.79 116.67 112.33 2jrr s ASP 58 Ca 0.02 -3.14 0.19 0.00 0.43 0.00 0.00 52.55 50.05 2jrr s ASP 58 Cb 0.09 -1.90 -0.28 0.00 -0.30 0.00 0.00 42.92 40.53 2jrr s ASP 58 CO 0.71 -0.32 0.47 0.00 -0.17 0.00 0.00 175.17 175.87 2jrr n ALA 59 N 3.12 2.96 0.52 3.66 0.00 -1.26 -3.62 120.51 125.88 2jrr n ALA 59 Ca 0.13 -0.46 0.06 0.00 0.00 0.00 0.00 53.44 53.16 2jrr n ALA 59 Cb 0.38 -0.65 0.28 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.05 0.00 0.00 0.00 -0.00 -1.26 -0.21 117.00 113.48 2jrr n LEU 60 Ca -0.02 0.31 0.00 0.00 -0.00 0.00 0.00 56.01 56.29 2jrr n LEU 60 Cb 0.46 -0.31 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 2jrr n LEU 60 CO 0.39 -0.19 0.00 1.21 -0.00 0.00 0.00 177.39 178.80 2jrr n GLU 61 N -1.31 0.00 0.17 1.47 4.07 -1.26 -4.68 120.64 119.10 2jrr n GLU 61 Ca 0.05 0.18 0.12 0.00 -0.06 0.00 0.00 57.16 57.45 2jrr n GLU 61 Cb 0.09 -0.61 0.09 0.00 -0.06 0.00 0.00 31.44 30.96 2jrr n GLU 61 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2jrr h HIS 62 N 0.00 0.00 0.00 4.31 2.76 -1.85 -3.47 115.15 116.90 2jrr h HIS 62 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2jrr h HIS 62 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 2jrr h HIS 62 CO 0.00 0.00 0.00 1.58 -1.30 0.00 0.00 177.93 178.21 2jrr n HIS 63 N -2.91 0.00 -4.19 5.26 -0.00 0.71 -4.88 115.22 109.21 2jrr n HIS 63 Ca 0.02 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.07 2jrr n HIS 63 Cb 0.54 -0.40 -0.09 0.00 -0.12 0.00 0.00 29.99 29.92 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 -1.18 1.18 0.14 1.57 3.76 -1.26 -5.00 115.29 114.49 2jrr s HIS 64 Ca 0.00 -1.37 0.05 0.00 -0.15 0.00 0.00 55.06 53.59 2jrr s HIS 64 Cb 0.00 -0.52 -0.04 0.00 1.11 0.00 0.00 32.58 33.13 2jrr s HIS 64 CO 0.00 -0.70 0.10 -1.01 -0.85 0.00 0.00 174.74 172.28 2jrr s HIS 65 N -4.05 3.10 0.09 1.40 0.09 -1.26 -5.02 115.29 109.65 2jrr s HIS 65 Ca 0.38 -0.02 -0.07 0.00 -0.00 0.00 0.00 55.06 55.35 2jrr s HIS 65 Cb 0.06 -1.52 -0.23 0.00 -0.00 0.00 0.00 32.58 30.90 2jrr s HIS 65 CO 0.14 0.52 1.18 0.45 -0.00 0.00 0.00 174.74 177.02 2jrr h HIS 66 N 2.69 0.68 0.00 1.40 3.86 -2.01 -3.55 115.15 118.23 2jrr h HIS 66 Ca -0.47 -0.44 0.00 0.00 -1.16 0.00 0.00 60.37 58.30 2jrr h HIS 66 Cb 1.19 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.61 2jrr h HIS 66 CO 0.59 1.30 0.00 1.58 0.86 0.00 0.00 177.93 182.26