#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 0.00 0.00 2.03 -1.04 -1.26 -4.90 114.28 109.11 2jrr n THR 2 Ca 0.00 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2jrr n THR 2 Cb 0.00 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 2jrr n THR 2 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2jrr n ILE 3 N -0.65 0.00 0.00 12.58 -0.00 -1.26 -4.57 119.36 125.46 2jrr n ILE 3 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.93 2jrr n ILE 3 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.90 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 -1.71 0.00 -3.05 0.38 6.02 -1.26 -4.65 117.38 113.10 2jrr n GLN 4 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2jrr n GLN 4 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 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 0.00 -2.49 -2.15 -1.58 0.00 -1.26 -4.87 120.51 108.16 2jrr n ALA 5 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 2jrr n ALA 5 Cb 0.00 -1.59 -0.05 0.00 0.00 0.00 0.00 19.45 17.82 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 -3.03 2.75 0.46 0.00 0.02 -1.26 -4.97 135.00 128.97 2jrr s PRO 6 Ca 0.01 -0.42 -0.24 0.00 0.02 0.00 0.00 61.00 60.37 2jrr s PRO 6 Cb -0.00 -5.09 -0.07 0.00 0.02 0.00 0.00 34.50 29.35 2jrr s PRO 6 CO 0.74 -3.14 1.31 -1.21 -0.33 0.00 0.00 177.00 174.37 2jrr s GLU 7 N 6.63 3.69 0.11 5.54 2.02 -1.26 -4.81 118.70 130.61 2jrr s GLU 7 Ca 0.65 2.14 -0.16 0.00 0.02 0.00 0.00 54.97 57.62 2jrr s GLU 7 Cb -0.06 -2.55 -0.07 0.00 0.10 0.00 0.00 34.13 31.56 2jrr s GLU 7 CO -0.02 -0.72 0.54 0.95 0.02 0.00 0.00 175.26 176.03 2jrr s THR 8 N -1.32 4.84 -0.42 3.63 -4.23 -1.26 -1.83 115.64 115.06 2jrr s THR 8 Ca 0.62 0.93 0.01 0.00 -1.18 0.00 0.00 61.69 62.07 2jrr s THR 8 Cb -0.37 -3.78 0.11 0.00 1.34 0.00 0.00 72.50 69.80 2jrr s THR 8 CO 0.47 0.37 0.17 -0.75 -0.54 0.00 0.00 174.62 174.34 2jrr s LYS 9 N -1.62 1.85 -0.10 3.99 2.20 0.48 -4.89 119.74 121.64 2jrr s LYS 9 Ca 0.34 -2.01 -0.30 0.00 -0.36 0.00 0.00 55.97 53.64 2jrr s LYS 9 Cb -0.16 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.71 2jrr s LYS 9 CO 0.18 -1.03 1.14 0.42 -0.36 0.00 0.00 175.35 175.70 2jrr s ILE 10 N 0.76 4.44 0.13 5.43 1.09 -1.26 -1.22 121.20 130.56 2jrr s ILE 10 Ca 0.11 1.74 0.01 0.00 -1.10 0.00 0.00 60.65 61.41 2jrr s ILE 10 Cb -0.21 -4.12 -0.04 0.00 -1.06 0.00 0.00 42.46 37.02 2jrr s ILE 10 CO -0.05 -0.04 -0.02 0.68 -0.10 0.00 0.00 174.94 175.41 2jrr s VAL 11 N 2.45 0.57 -0.34 2.92 -7.23 -0.42 -4.96 120.40 113.39 2jrr s VAL 11 Ca 0.53 -1.94 0.19 0.00 -1.81 0.00 0.00 61.98 58.95 2jrr s VAL 11 Cb -0.22 -1.89 -0.27 0.00 0.56 0.00 0.00 36.38 34.57 2jrr s VAL 11 CO 0.18 -0.68 0.56 0.47 -0.31 0.00 0.00 175.10 175.33 2jrr n ASP 12 N -0.11 0.67 -4.70 4.85 8.00 -1.26 -0.52 116.55 123.47 2jrr n ASP 12 Ca -0.09 -0.34 -0.34 0.00 0.71 0.00 0.00 54.79 54.73 2jrr n ASP 12 Cb 0.62 1.57 -0.09 0.00 -0.02 0.00 0.00 41.12 43.20 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 -3.15 2.93 0.00 -1.24 -2.85 -1.26 -4.88 119.74 109.29 2jrr s LYS 13 Ca -0.02 -0.48 0.24 0.00 -1.00 0.00 0.00 55.97 54.71 2jrr s LYS 13 Cb 0.13 -2.76 1.19 0.00 -2.06 0.00 0.00 37.83 34.33 2jrr s LYS 13 CO 0.80 0.67 1.80 0.43 0.10 0.00 0.00 175.35 179.15 2jrr n SER 14 N 1.76 0.00 -4.32 0.03 7.64 -1.26 -4.63 113.62 112.84 2jrr n SER 14 Ca -0.17 0.04 -0.35 0.00 1.01 0.00 0.00 58.87 59.40 2jrr n SER 14 Cb 0.53 -0.32 -0.14 0.00 -1.01 0.00 0.00 64.21 63.27 2jrr n SER 14 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2jrr s ARG 15 N -2.65 3.39 -0.00 1.43 0.52 -1.26 0.15 118.95 120.54 2jrr s ARG 15 Ca 0.21 -0.62 0.02 0.00 -0.52 0.00 0.00 55.73 54.83 2jrr s ARG 15 Cb 0.16 -3.02 -0.01 0.00 0.52 0.00 0.00 34.95 32.60 2jrr s ARG 15 CO 0.38 -0.19 -0.07 0.08 0.02 0.00 0.00 175.30 175.52 2jrr s VAL 16 N 1.47 0.56 -0.17 3.52 1.01 -0.89 -4.98 120.40 120.92 2jrr s VAL 16 Ca 0.06 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 2jrr s VAL 16 Cb -0.14 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 2jrr s VAL 16 CO -0.03 0.11 0.40 0.00 0.00 0.00 0.00 175.10 175.58 2jrr s ALA 17 N -0.27 3.54 -0.57 5.51 0.00 -1.26 -0.17 121.76 128.53 2jrr s ALA 17 Ca 0.02 -0.40 -0.26 0.00 0.00 0.00 0.00 51.96 51.32 2jrr s ALA 17 Cb -0.03 -2.59 -0.06 0.00 0.00 0.00 0.00 23.12 20.44 2jrr s ALA 17 CO -0.00 -0.11 2.21 0.00 0.00 0.00 0.00 175.76 177.86 2jrr h ASP 19 N 17.17 -0.14 0.00 0.00 3.32 -1.90 -3.42 116.42 131.45 2jrr h ASP 19 Ca -0.21 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.48 2jrr h ASP 19 Cb 1.20 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2jrr h ASP 19 CO 1.17 0.32 0.00 0.61 -1.72 0.00 0.00 179.24 179.62 2jrr n GLY 20 N 0.16 3.55 1.54 2.75 0.00 -1.26 -0.56 105.19 111.37 2jrr n GLY 20 Ca -0.09 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 1.15 3.63 -0.02 0.00 -1.08 -4.03 105.19 104.84 2jrr n GLY 21 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2jrr n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jrr s GLU 22 N -0.49 4.08 0.00 1.61 2.56 -1.16 -4.61 118.70 120.70 2jrr s GLU 22 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.97 55.06 2jrr s GLU 22 Cb 0.00 -3.60 0.00 0.00 2.00 0.00 0.00 34.13 32.53 2jrr s GLU 22 CO 0.00 -0.17 0.00 0.41 -0.56 0.00 0.00 175.26 174.94 2jrr n GLY 23 N 4.36 0.51 1.11 -1.50 0.00 -1.26 0.60 105.19 109.01 2jrr n GLY 23 Ca -0.09 0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 2jrr n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jrr n ALA 24 N 5.09 2.81 -4.06 4.61 0.00 -1.26 -4.82 120.51 122.88 2jrr n ALA 24 Ca 0.00 -0.13 -0.33 0.00 0.00 0.00 0.00 53.44 52.98 2jrr n ALA 24 Cb 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.42 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 0.55 -1.92 -4.16 0.00 -0.00 0.20 -4.89 117.00 106.79 2jrr n LEU 25 Ca 0.03 -0.88 -0.16 0.00 -0.00 0.00 0.00 56.01 55.00 2jrr n LEU 25 Cb 0.54 -2.22 -0.11 0.00 -0.00 0.00 0.00 43.42 41.63 2jrr n LEU 25 CO 0.03 0.33 -0.43 -0.83 -0.00 0.00 0.00 177.39 176.48 2jrr s GLY 26 N -3.22 0.81 0.04 1.47 0.00 -0.88 -2.63 107.32 102.91 2jrr s GLY 26 Ca 0.70 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 44.36 2jrr s GLY 26 CO 0.86 -1.11 -0.04 0.30 0.00 0.00 0.00 173.10 173.11 2jrr s HIS 27 N -1.85 0.48 0.00 1.90 3.76 0.28 -3.99 115.29 115.87 2jrr s HIS 27 Ca 0.01 -0.79 0.00 0.00 -0.15 0.00 0.00 55.06 54.13 2jrr s HIS 27 Cb -0.07 -0.33 0.00 0.00 1.11 0.00 0.00 32.58 33.29 2jrr s HIS 27 CO 0.01 -0.25 0.47 -0.35 -0.85 0.00 0.00 174.74 173.77 2jrr n PRO 28 N 0.80 0.00 -2.90 8.40 -0.04 -1.26 -4.85 135.00 135.16 2jrr n PRO 28 Ca -0.19 0.36 0.04 0.00 -0.04 0.00 0.00 63.50 63.67 2jrr n PRO 28 Cb 0.58 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 2jrr n PRO 28 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2jrr s ARG 29 N -1.66 0.03 -0.06 0.54 3.00 -1.26 -5.07 118.95 114.47 2jrr s ARG 29 Ca 0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 55.73 54.72 2jrr s ARG 29 Cb 0.00 0.01 0.03 0.00 0.00 0.00 0.00 34.95 34.99 2jrr s ARG 29 CO 0.00 -0.05 0.02 0.14 0.00 0.00 0.00 175.30 175.41 2jrr s VAL 30 N 2.46 0.25 -0.38 7.11 -7.23 -1.26 -5.05 120.40 116.30 2jrr s VAL 30 Ca 0.23 0.20 -0.14 0.00 -1.81 0.00 0.00 61.98 60.46 2jrr s VAL 30 Cb 0.03 -0.43 0.00 0.00 0.56 0.00 0.00 36.38 36.54 2jrr s VAL 30 CO -0.19 0.24 0.30 0.26 -0.31 0.00 0.00 175.10 175.39 2jrr s TRP 31 N 2.02 3.23 -0.07 2.82 0.52 -1.26 -0.89 118.94 125.31 2jrr s TRP 31 Ca 0.05 -0.37 -0.19 0.00 0.02 0.00 0.00 56.10 55.61 2jrr s TRP 31 Cb -0.12 -2.58 -0.05 0.00 -1.15 0.00 0.00 33.47 29.57 2jrr s TRP 31 CO -0.05 -0.49 0.54 -0.51 0.02 0.00 0.00 176.95 176.46 2jrr s LEU 32 N 1.77 4.34 -0.49 2.99 1.02 0.76 -4.89 118.68 124.18 2jrr s LEU 32 Ca 0.07 0.98 -0.19 0.00 0.02 0.00 0.00 54.13 55.00 2jrr s LEU 32 Cb -0.18 -2.81 0.05 0.00 0.02 0.00 0.00 46.19 43.27 2jrr s LEU 32 CO 0.11 0.03 0.62 -1.58 0.02 0.00 0.00 176.35 175.55 2jrr s GLN 33 N 0.30 3.16 0.12 1.70 2.00 -1.26 -2.09 119.66 123.59 2jrr s GLN 33 Ca 0.29 -0.76 -0.31 0.00 -2.00 0.00 0.00 55.36 52.58 2jrr s GLN 33 Cb -0.16 -4.06 -0.10 0.00 0.80 0.00 0.00 33.01 29.49 2jrr s GLN 33 CO 0.14 -1.16 1.82 0.42 -0.50 0.00 0.00 175.29 176.00 2jrr s ILE 34 N 2.67 2.55 -0.56 -2.34 1.01 0.12 -4.94 121.20 119.71 2jrr s ILE 34 Ca 0.17 0.07 -0.28 0.00 0.00 0.00 0.00 60.65 60.61 2jrr s ILE 34 Cb -0.18 -3.05 0.02 0.00 0.01 0.00 0.00 42.46 39.26 2jrr s ILE 34 CO 0.14 0.00 1.37 -2.16 0.00 0.00 0.00 174.94 174.29 2jrr s PRO 35 N 2.69 3.35 0.61 2.79 0.04 -1.26 -4.86 135.00 138.36 2jrr s PRO 35 Ca 0.80 0.42 0.37 0.00 0.04 0.00 0.00 61.00 62.64 2jrr s PRO 35 Cb -0.46 -4.10 2.01 0.00 0.04 0.00 0.00 34.50 31.99 2jrr s PRO 35 CO 0.36 -1.89 2.13 1.49 0.04 0.00 0.00 177.00 179.13 2jrr h GLU 36 N 10.77 0.00 -0.75 4.56 4.81 -1.93 0.29 114.58 132.33 2jrr h GLU 36 Ca -0.27 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.06 2jrr h GLU 36 Cb 1.09 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.39 2jrr h GLU 36 CO 1.18 0.00 0.39 -0.44 -0.73 0.00 0.00 179.01 179.40 2jrr h ASP 37 N 0.00 0.52 0.00 1.04 5.19 -1.98 -3.33 116.42 117.86 2jrr h ASP 37 Ca 0.00 0.06 -0.09 0.00 -0.62 0.00 0.00 57.03 56.38 2jrr h ASP 37 Cb 0.20 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 2jrr h ASP 37 CO 0.00 0.29 -1.18 0.35 -3.12 0.00 0.00 179.24 175.58 2jrr n THR 38 N -4.83 1.49 0.00 0.35 -2.24 0.34 -5.04 114.28 104.34 2jrr n THR 38 Ca 0.12 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 2jrr n THR 38 Cb 0.28 -2.26 0.00 0.00 -2.10 0.00 0.00 70.33 66.25 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 1.45 0.99 3.47 3.38 0.00 0.74 -4.45 105.19 110.77 2jrr n GLY 39 Ca -0.21 0.00 -0.11 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 -1.95 -0.46 -0.13 1.61 1.48 -1.26 -0.98 118.94 117.26 2jrr s TRP 40 Ca 0.00 0.26 -0.07 0.00 -1.06 0.00 0.00 56.10 55.23 2jrr s TRP 40 Cb 0.00 0.56 0.05 0.00 -1.16 0.00 0.00 33.47 32.92 2jrr s TRP 40 CO 0.00 -0.78 0.31 0.54 -4.06 0.00 0.00 176.95 172.96 2jrr s VAL 41 N -3.57 -0.04 0.04 -0.66 0.11 -0.10 -4.37 120.40 111.81 2jrr s VAL 41 Ca 0.03 0.13 -0.17 0.00 -2.93 0.00 0.00 61.98 59.03 2jrr s VAL 41 Cb -0.01 -0.47 -0.06 0.00 -1.53 0.00 0.00 36.38 34.31 2jrr s VAL 41 CO -0.11 0.05 0.50 -1.83 -3.33 0.00 0.00 175.10 170.39 2jrr s GLU 42 N 1.33 4.09 0.03 1.54 -1.05 -1.26 0.01 118.70 123.38 2jrr s GLU 42 Ca -0.09 0.61 -0.30 0.00 -0.15 0.00 0.00 54.97 55.03 2jrr s GLU 42 Cb -0.10 -3.23 -0.06 0.00 -0.44 0.00 0.00 34.13 30.30 2jrr s GLU 42 CO -0.10 0.66 1.40 0.00 0.95 0.00 0.00 175.26 178.17 2jrr h PRO 44 N 7.59 0.00 0.00 0.00 0.13 -1.96 -3.39 132.00 134.37 2jrr h PRO 44 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2jrr h PRO 44 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2jrr h PRO 44 CO 0.89 0.29 0.00 0.66 -0.23 0.00 0.00 178.00 179.61 2jrr n TYR 45 N -3.64 0.00 -2.72 1.56 4.01 -1.26 -5.03 117.16 110.08 2jrr n TYR 45 Ca -0.01 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.70 2jrr n TYR 45 Cb 0.41 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.46 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 2.83 0.00 -1.07 0.00 -0.08 -1.26 -2.98 116.55 113.99 2jrr n ASP 47 Ca 0.12 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.40 2jrr n ASP 47 Cb 0.63 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 44.09 2jrr n ASP 47 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jrr s LYS 49 N -2.02 3.02 -0.36 0.00 2.20 -0.76 -1.58 119.74 120.25 2jrr s LYS 49 Ca 0.01 -0.88 -0.27 0.00 -0.36 0.00 0.00 55.97 54.47 2jrr s LYS 49 Cb -0.00 -3.17 0.02 0.00 -1.51 0.00 0.00 37.83 33.17 2jrr s LYS 49 CO 0.01 -0.39 0.98 0.71 -0.36 0.00 0.00 175.35 176.29 2jrr s TYR 50 N 1.42 3.09 -0.20 4.03 2.02 0.10 -0.39 117.35 127.42 2jrr s TYR 50 Ca 0.02 0.91 -0.05 0.00 -0.37 0.00 0.00 57.07 57.58 2jrr s TYR 50 Cb -0.17 -3.68 -0.02 0.00 -0.40 0.00 0.00 41.96 37.69 2jrr s TYR 50 CO -0.01 -0.82 -0.01 0.08 -1.57 0.00 0.00 175.55 173.22 2jrr s VAL 51 N 3.56 3.81 -0.53 0.71 1.01 -0.36 -0.93 120.40 127.67 2jrr s VAL 51 Ca 0.41 -0.36 -0.28 0.00 0.00 0.00 0.00 61.98 61.75 2jrr s VAL 51 Cb -0.12 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.57 2jrr s VAL 51 CO 0.18 0.43 1.13 -0.22 0.00 0.00 0.00 175.10 176.61 2jrr s LEU 52 N 1.09 3.62 0.53 3.92 2.96 -0.15 -1.30 118.68 129.36 2jrr s LEU 52 Ca 0.02 0.21 -0.21 0.00 -0.22 0.00 0.00 54.13 53.92 2jrr s LEU 52 Cb -0.14 -3.29 -0.05 0.00 0.50 0.00 0.00 46.19 43.20 2jrr s LEU 52 CO 0.01 -1.34 1.25 -0.75 -1.32 0.00 0.00 176.35 174.20 2jrr s LYS 53 N 4.58 3.30 0.00 1.98 2.20 0.32 -2.85 119.74 129.27 2jrr s LYS 53 Ca 0.43 1.96 0.00 0.00 -0.36 0.00 0.00 55.97 58.00 2jrr s LYS 53 Cb -0.08 -2.21 0.00 0.00 -1.51 0.00 0.00 37.83 34.03 2jrr s LYS 53 CO 0.28 -0.97 0.00 0.41 -0.36 0.00 0.00 175.35 174.70 2jrr n GLY 54 N 0.57 0.69 3.86 5.54 0.00 -1.26 -4.84 105.19 109.75 2jrr n GLY 54 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.21 4.72 0.52 1.61 0.15 -1.13 -4.88 113.70 112.47 2jrr s SER 55 Ca 0.00 -1.04 0.35 0.00 0.70 0.00 0.00 55.95 55.96 2jrr s SER 55 Cb 0.00 -0.12 1.78 0.00 -1.71 0.00 0.00 66.02 65.97 2jrr s SER 55 CO 0.00 -0.82 2.05 0.07 1.20 0.00 0.00 173.24 175.74 2jrr h LYS 56 N 1.00 0.00 0.00 5.44 2.10 -1.87 0.17 116.57 123.41 2jrr h LYS 56 Ca -0.40 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.19 2jrr h LYS 56 Cb 1.28 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.60 2jrr h LYS 56 CO 0.60 0.00 -0.32 0.00 -2.00 0.00 0.00 179.45 177.74 2jrr h ALA 57 N 2.03 0.93 0.00 0.07 0.00 -1.85 -3.05 119.26 117.38 2jrr h ALA 57 Ca 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 2jrr h ALA 57 Cb 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2jrr h ALA 57 CO 0.00 0.40 -1.63 -3.47 0.00 0.00 0.00 179.25 174.54 2jrr n ASP 58 N -3.37 0.38 -1.89 0.00 2.03 0.26 -5.03 116.55 108.93 2jrr n ASP 58 Ca 0.01 0.15 -0.02 0.00 0.52 0.00 0.00 54.79 55.45 2jrr n ASP 58 Cb 0.52 1.19 -0.02 0.00 -0.72 0.00 0.00 41.12 42.10 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 -2.29 -3.13 -1.42 -1.67 0.00 0.35 -4.81 120.51 107.55 2jrr n ALA 59 Ca -0.06 0.89 -0.39 0.00 0.00 0.00 0.00 53.44 53.89 2jrr n ALA 59 Cb 0.64 -1.80 0.03 0.00 0.00 0.00 0.00 19.45 18.32 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 0.79 -0.31 0.00 0.00 4.77 -1.25 -3.10 117.00 117.90 2jrr n LEU 60 Ca -0.15 0.74 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 2jrr n LEU 60 Cb 0.22 -1.09 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 2jrr n LEU 60 CO 0.14 -3.43 0.00 -0.62 -1.33 0.00 0.00 177.39 172.14 2jrr n GLU 61 N 0.36 0.00 -2.29 3.23 -0.58 -1.26 -4.84 120.64 115.26 2jrr n GLU 61 Ca 0.11 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.72 2jrr n GLU 61 Cb 0.47 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.32 2jrr n GLU 61 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2jrr n HIS 62 N 0.00 -1.26 -2.02 -0.32 -0.00 -1.18 -0.54 115.22 109.91 2jrr n HIS 62 Ca 0.00 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.00 2jrr n HIS 62 Cb 0.00 -2.77 -0.04 0.00 -0.12 0.00 0.00 29.99 27.06 2jrr n HIS 62 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jrr n HIS 63 N -3.20 -0.52 1.18 1.57 -0.00 -1.26 -4.87 115.22 108.12 2jrr n HIS 63 Ca -0.15 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.14 2jrr n HIS 63 Cb 0.59 -3.38 0.60 0.00 -0.12 0.00 0.00 29.99 27.68 2jrr n HIS 63 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jrr n HIS 64 N -3.40 0.00 -2.02 1.57 8.25 0.30 -4.75 115.22 115.17 2jrr n HIS 64 Ca -0.20 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.83 2jrr n HIS 64 Cb 0.64 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.52 2jrr n HIS 64 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jrr s HIS 65 N -2.39 1.88 0.63 4.41 5.04 -1.26 -5.00 115.29 118.59 2jrr s HIS 65 Ca 0.25 0.55 -0.07 0.00 -1.54 0.00 0.00 55.06 54.26 2jrr s HIS 65 Cb 0.15 -4.08 0.02 0.00 0.04 0.00 0.00 32.58 28.72 2jrr s HIS 65 CO 0.32 -3.08 0.95 -1.01 -2.34 0.00 0.00 174.74 169.58 2jrr s HIS 66 N 6.21 3.20 0.00 3.88 3.76 -1.26 -5.21 115.29 125.87 2jrr s HIS 66 Ca 0.78 0.67 0.00 0.00 -0.15 0.00 0.00 55.06 56.35 2jrr s HIS 66 Cb -0.24 -2.87 0.00 0.00 1.11 0.00 0.00 32.58 30.58 2jrr s HIS 66 CO 0.32 -0.98 0.00 1.58 -0.85 0.00 0.00 174.74 174.81