#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 2.84 -2.63 1.12 -4.23 -1.26 -4.94 115.64 106.54 2jrr s THR 2 Ca 0.00 0.70 0.26 0.00 -1.18 0.00 0.00 61.69 61.48 2jrr s THR 2 Cb 0.00 -3.39 0.40 0.00 1.34 0.00 0.00 72.50 70.85 2jrr s THR 2 CO 0.00 0.06 1.56 2.30 -0.54 0.00 0.00 174.62 178.00 2jrr n ILE 3 N -0.09 0.00 0.00 2.99 -5.35 -1.26 -4.99 119.36 110.67 2jrr n ILE 3 Ca 0.05 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 2jrr n ILE 3 Cb 0.45 0.86 0.00 0.00 -1.74 0.00 0.00 39.64 39.21 2jrr n ILE 3 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jrr n GLN 4 N 0.54 0.00 -3.41 6.28 6.02 -1.26 -4.77 117.38 120.79 2jrr n GLN 4 Ca 0.17 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.97 2jrr n GLN 4 Cb 0.44 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.75 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 0.03 -2.54 -1.99 -1.58 0.00 -1.26 -4.86 120.51 108.32 2jrr n ALA 5 Ca 0.00 -0.05 -0.31 0.00 0.00 0.00 0.00 53.44 53.08 2jrr n ALA 5 Cb 0.00 -4.14 -0.04 0.00 0.00 0.00 0.00 19.45 15.27 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 -4.77 2.50 -0.70 0.00 0.02 -1.26 -4.89 135.00 125.91 2jrr s PRO 6 Ca 0.36 0.24 -0.38 0.00 0.02 0.00 0.00 61.00 61.24 2jrr s PRO 6 Cb -0.09 -4.73 -0.20 0.00 0.02 0.00 0.00 34.50 29.50 2jrr s PRO 6 CO 0.80 -3.17 2.38 -1.91 -0.33 0.00 0.00 177.00 174.77 2jrr n GLU 7 N 9.00 0.08 -3.40 5.54 4.07 -1.26 -4.83 120.64 129.85 2jrr n GLU 7 Ca 0.32 0.02 -0.44 0.00 -0.06 0.00 0.00 57.16 57.00 2jrr n GLU 7 Cb 0.49 -1.60 -0.08 0.00 -0.06 0.00 0.00 31.44 30.19 2jrr n GLU 7 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2jrr s THR 8 N 7.46 5.21 -0.69 6.31 2.01 -1.26 -0.58 115.64 134.10 2jrr s THR 8 Ca 1.26 -0.84 -0.12 0.00 0.31 0.00 0.00 61.69 62.30 2jrr s THR 8 Cb -1.33 -4.06 0.18 0.00 0.01 0.00 0.00 72.50 67.30 2jrr s THR 8 CO 0.57 -0.48 0.61 -0.54 -0.69 0.00 0.00 174.62 174.09 2jrr s LYS 9 N 1.74 3.17 -0.74 4.92 1.02 0.82 -4.92 119.74 125.76 2jrr s LYS 9 Ca 0.06 -2.23 -0.27 0.00 0.02 0.00 0.00 55.97 53.55 2jrr s LYS 9 Cb -0.22 -4.23 0.02 0.00 -0.52 0.00 0.00 37.83 32.89 2jrr s LYS 9 CO 0.09 -1.27 1.39 0.42 -0.92 0.00 0.00 175.35 175.06 2jrr s ILE 10 N 0.58 3.67 0.26 2.17 1.01 -1.25 -0.81 121.20 126.82 2jrr s ILE 10 Ca 0.13 0.31 0.07 0.00 0.00 0.00 0.00 60.65 61.16 2jrr s ILE 10 Cb -0.18 -4.76 -0.04 0.00 0.01 0.00 0.00 42.46 37.49 2jrr s ILE 10 CO -0.05 -1.70 0.21 0.68 0.00 0.00 0.00 174.94 174.08 2jrr s VAL 11 N 6.28 4.43 -2.50 2.92 -7.23 0.18 -4.80 120.40 119.68 2jrr s VAL 11 Ca 0.41 -1.39 0.26 0.00 -1.81 0.00 0.00 61.98 59.45 2jrr s VAL 11 Cb -0.08 -3.41 0.49 0.00 0.56 0.00 0.00 36.38 33.94 2jrr s VAL 11 CO 0.14 -0.34 1.64 0.47 -0.31 0.00 0.00 175.10 176.71 2jrr n ASP 12 N -1.20 1.74 -4.53 4.85 8.00 -1.26 -0.63 116.55 123.53 2jrr n ASP 12 Ca -0.08 -1.61 -0.27 0.00 0.71 0.00 0.00 54.79 53.54 2jrr n ASP 12 Cb 0.58 -0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.55 2jrr n ASP 12 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2jrr s LYS 13 N -1.94 1.92 0.15 -1.24 1.02 -1.26 -4.91 119.74 113.48 2jrr s LYS 13 Ca 0.36 -1.29 0.20 0.00 0.02 0.00 0.00 55.97 55.26 2jrr s LYS 13 Cb 0.20 -2.10 -0.05 0.00 -0.52 0.00 0.00 37.83 35.36 2jrr s LYS 13 CO 0.31 0.44 0.98 0.77 -0.92 0.00 0.00 175.35 176.93 2jrr h SER 14 N 3.14 0.00 -3.55 2.83 0.02 -1.91 -3.45 113.55 110.63 2jrr h SER 14 Ca -0.47 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.80 2jrr h SER 14 Cb 1.20 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.42 2jrr h SER 14 CO 0.52 0.28 -0.73 -0.13 -1.14 0.00 0.00 176.83 175.62 2jrr s ARG 15 N -3.15 2.82 -0.03 3.45 0.52 -1.26 -0.10 118.95 121.21 2jrr s ARG 15 Ca -0.01 -0.99 0.06 0.00 -0.52 0.00 0.00 55.73 54.26 2jrr s ARG 15 Cb 0.09 -3.05 -0.01 0.00 0.52 0.00 0.00 34.95 32.50 2jrr s ARG 15 CO 0.79 -0.43 -0.20 0.08 0.02 0.00 0.00 175.30 175.57 2jrr s VAL 16 N 1.34 1.61 -0.66 3.52 1.01 -0.91 -4.94 120.40 121.37 2jrr s VAL 16 Ca -0.00 -0.85 -0.27 0.00 0.00 0.00 0.00 61.98 60.85 2jrr s VAL 16 Cb -0.17 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.88 2jrr s VAL 16 CO -0.03 0.46 1.36 0.00 0.00 0.00 0.00 175.10 176.89 2jrr s ALA 17 N -0.30 2.74 0.91 5.51 0.00 -1.26 -1.00 121.76 128.36 2jrr s ALA 17 Ca 0.03 -1.05 -0.14 0.00 0.00 0.00 0.00 51.96 50.81 2jrr s ALA 17 Cb -0.10 -4.19 0.15 0.00 0.00 0.00 0.00 23.12 18.98 2jrr s ALA 17 CO 0.01 -3.18 1.23 0.00 0.00 0.00 0.00 175.76 173.82 2jrr n ASP 19 N -3.65 1.47 -4.20 0.00 5.68 -1.26 -3.59 116.55 111.00 2jrr n ASP 19 Ca 0.11 -1.24 -0.27 0.00 -0.50 0.00 0.00 54.79 52.89 2jrr n ASP 19 Cb 0.60 0.46 -0.16 0.00 -1.14 0.00 0.00 41.12 40.88 2jrr n ASP 19 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2jrr s GLY 20 N -1.67 1.02 0.00 6.12 0.00 -1.26 -1.13 107.32 110.40 2jrr s GLY 20 Ca 0.11 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.97 2jrr s GLY 20 CO 0.34 -0.64 0.00 0.61 0.00 0.00 0.00 173.10 173.41 2jrr n GLY 21 N 2.75 0.00 3.53 0.20 0.00 -1.23 -4.88 105.19 105.56 2jrr n GLY 21 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.49 0.67 0.18 1.61 2.12 -1.12 -4.94 118.70 115.73 2jrr s GLU 22 Ca 0.00 -0.22 -0.24 0.00 0.36 0.00 0.00 54.97 54.88 2jrr s GLU 22 Cb 0.00 0.31 0.08 0.00 0.26 0.00 0.00 34.13 34.78 2jrr s GLU 22 CO 0.00 -0.29 1.57 0.78 -0.54 0.00 0.00 175.26 176.78 2jrr h GLY 23 N 2.05 -0.33 0.97 -1.50 0.00 -2.00 -0.30 103.07 101.96 2jrr h GLY 23 Ca -0.19 0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2jrr h GLY 23 CO 0.29 -0.17 -0.17 0.00 0.00 0.00 0.00 176.54 176.49 2jrr n ALA 24 N -3.19 2.86 -2.30 3.60 0.00 -1.26 -3.91 120.51 116.30 2jrr n ALA 24 Ca 0.03 -0.27 -0.29 0.00 0.00 0.00 0.00 53.44 52.90 2jrr n ALA 24 Cb 0.35 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.52 2jrr n ALA 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jrr n LEU 25 N -1.07 5.36 -4.71 0.00 4.77 -0.20 -5.06 117.00 116.10 2jrr n LEU 25 Ca 0.12 -5.08 -0.42 0.00 -0.03 0.00 0.00 56.01 50.60 2jrr n LEU 25 Cb 0.30 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 2jrr n LEU 25 CO 0.26 2.12 1.01 -0.83 -1.33 0.00 0.00 177.39 178.62 2jrr s GLY 26 N -3.02 2.10 -1.10 -0.72 0.00 -0.77 -2.79 107.32 101.02 2jrr s GLY 26 Ca 0.49 0.97 -0.17 0.00 0.00 0.00 0.00 44.72 46.02 2jrr s GLY 26 CO -0.21 2.27 0.82 1.42 0.00 0.00 0.00 173.10 177.40 2jrr n HIS 27 N 4.24 -2.07 -0.82 1.90 8.25 -0.29 -4.93 115.22 121.51 2jrr n HIS 27 Ca 0.11 0.57 0.08 0.00 -0.26 0.00 0.00 57.72 58.22 2jrr n HIS 27 Cb 0.44 -3.61 0.37 0.00 1.12 0.00 0.00 29.99 28.31 2jrr n HIS 27 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2jrr n PRO 28 N -3.86 4.23 -2.69 -0.41 -0.04 -1.25 -4.99 135.00 125.98 2jrr n PRO 28 Ca -0.09 -3.02 -0.01 0.00 -0.04 0.00 0.00 63.50 60.35 2jrr n PRO 28 Cb 0.60 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 2jrr n PRO 28 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jrr n ARG 29 N 0.62 -3.26 -4.66 0.54 5.12 -1.26 -5.05 116.66 108.70 2jrr n ARG 29 Ca 0.26 2.65 -0.33 0.00 -1.93 0.00 0.00 57.85 58.50 2jrr n ARG 29 Cb 1.05 -5.28 -0.16 0.00 -1.16 0.00 0.00 32.46 26.90 2jrr n ARG 29 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2jrr s VAL 30 N -1.69 2.09 -0.34 1.55 -7.23 -1.24 -5.02 120.40 108.53 2jrr s VAL 30 Ca 0.03 -0.97 -0.12 0.00 -1.81 0.00 0.00 61.98 59.11 2jrr s VAL 30 Cb -0.01 -1.84 -0.01 0.00 0.56 0.00 0.00 36.38 35.09 2jrr s VAL 30 CO 0.76 0.55 0.21 0.26 -0.31 0.00 0.00 175.10 176.57 2jrr s TRP 31 N 0.82 3.21 0.21 2.82 0.52 -1.26 0.93 118.94 126.19 2jrr s TRP 31 Ca -0.07 -0.43 -0.07 0.00 0.02 0.00 0.00 56.10 55.55 2jrr s TRP 31 Cb -0.15 -2.44 -0.06 0.00 -1.15 0.00 0.00 33.47 29.66 2jrr s TRP 31 CO -0.02 -0.44 0.49 -0.51 0.02 0.00 0.00 176.95 176.49 2jrr s LEU 32 N 1.67 4.19 -0.22 2.99 1.02 -0.17 -4.87 118.68 123.29 2jrr s LEU 32 Ca 0.05 0.76 -0.08 0.00 0.02 0.00 0.00 54.13 54.89 2jrr s LEU 32 Cb -0.18 -3.52 -0.04 0.00 0.02 0.00 0.00 46.19 42.48 2jrr s LEU 32 CO 0.09 -0.05 0.08 -1.58 0.02 0.00 0.00 176.35 174.91 2jrr s GLN 33 N -2.87 3.84 -0.36 1.70 2.00 -1.26 -2.13 119.66 120.57 2jrr s GLN 33 Ca 0.44 -0.40 -0.26 0.00 -2.00 0.00 0.00 55.36 53.15 2jrr s GLN 33 Cb -0.11 -3.30 0.01 0.00 0.80 0.00 0.00 33.01 30.41 2jrr s GLN 33 CO 0.24 0.04 0.92 0.42 -0.50 0.00 0.00 175.29 176.41 2jrr s ILE 34 N 1.01 4.60 0.21 -2.34 1.01 0.86 -4.87 121.20 121.69 2jrr s ILE 34 Ca 0.04 1.19 -0.22 0.00 0.00 0.00 0.00 60.65 61.66 2jrr s ILE 34 Cb -0.14 -4.32 -0.08 0.00 0.01 0.00 0.00 42.46 37.92 2jrr s ILE 34 CO 0.03 -0.52 0.75 -2.16 0.00 0.00 0.00 174.94 173.04 2jrr s PRO 35 N 3.44 4.36 0.00 2.79 0.04 -1.26 -4.91 135.00 139.46 2jrr s PRO 35 Ca 0.38 0.98 0.15 0.00 0.04 0.00 0.00 61.00 62.54 2jrr s PRO 35 Cb -0.12 -2.98 0.79 0.00 0.04 0.00 0.00 34.50 32.23 2jrr s PRO 35 CO 0.18 0.44 1.37 0.39 0.04 0.00 0.00 177.00 179.42 2jrr n GLU 36 N 0.96 0.29 0.28 4.56 -0.58 -1.26 0.20 120.64 125.08 2jrr n GLU 36 Ca -0.03 0.10 -0.11 0.00 -0.42 0.00 0.00 57.16 56.70 2jrr n GLU 36 Cb 0.50 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.82 2jrr n GLU 36 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2jrr h ASP 37 N 0.00 -0.61 0.01 1.62 1.82 -1.99 -3.41 116.42 113.86 2jrr h ASP 37 Ca 0.00 0.02 -0.29 0.00 -0.39 0.00 0.00 57.03 56.37 2jrr h ASP 37 Cb 0.09 0.16 -0.04 0.00 0.68 0.00 0.00 39.33 40.22 2jrr h ASP 37 CO 0.00 -0.35 -1.57 0.35 -1.61 0.00 0.00 179.24 176.06 2jrr n THR 38 N -4.46 1.56 0.00 2.25 -2.24 -1.11 -5.01 114.28 105.26 2jrr n THR 38 Ca -0.09 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2jrr n THR 38 Cb 0.29 -1.98 0.00 0.00 -2.10 0.00 0.00 70.33 66.54 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 0.59 3.55 3.38 0.00 0.13 -4.17 105.19 110.14 2jrr n GLY 39 Ca -0.36 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.16 0.01 1.61 1.48 -1.26 -1.92 118.94 116.70 2jrr s TRP 40 Ca 0.00 -0.18 -0.10 0.00 -1.06 0.00 0.00 56.10 54.76 2jrr s TRP 40 Cb 0.00 0.44 0.01 0.00 -1.16 0.00 0.00 33.47 32.76 2jrr s TRP 40 CO 0.00 -0.94 0.21 0.54 -4.06 0.00 0.00 176.95 172.70 2jrr s VAL 41 N -3.87 0.09 0.08 -0.66 0.11 -0.47 -4.56 120.40 111.11 2jrr s VAL 41 Ca 0.09 -0.71 0.08 0.00 -2.93 0.00 0.00 61.98 58.51 2jrr s VAL 41 Cb -0.01 -0.68 -0.03 0.00 -1.53 0.00 0.00 36.38 34.12 2jrr s VAL 41 CO -0.03 -0.39 -0.22 -1.83 -3.33 0.00 0.00 175.10 169.30 2jrr s GLU 42 N -1.87 1.30 -0.46 1.54 -1.05 -1.26 0.49 118.70 117.39 2jrr s GLU 42 Ca -0.10 -1.08 -0.14 0.00 -0.15 0.00 0.00 54.97 53.49 2jrr s GLU 42 Cb -0.04 -1.51 0.07 0.00 -0.44 0.00 0.00 34.13 32.21 2jrr s GLU 42 CO 0.00 0.37 0.36 0.00 0.95 0.00 0.00 175.26 176.94 2jrr n PRO 44 N 5.14 0.83 -0.02 0.00 -0.04 -1.26 -1.48 135.00 138.17 2jrr n PRO 44 Ca -0.12 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.33 2jrr n PRO 44 Cb 0.44 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.02 0.22 0.13 0.54 4.01 -1.26 -4.62 117.16 115.16 2jrr n TYR 45 Ca 0.20 0.09 0.09 0.00 -0.16 0.00 0.00 57.90 58.13 2jrr n TYR 45 Cb 0.10 -0.37 0.19 0.00 -0.31 0.00 0.00 39.34 38.95 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 1.16 -1.70 -3.61 0.00 8.00 -0.55 -5.09 116.55 114.75 2jrr n ASP 47 Ca 0.16 0.78 -0.01 0.00 0.71 0.00 0.00 54.79 56.44 2jrr n ASP 47 Cb 0.52 -3.36 -0.04 0.00 -0.02 0.00 0.00 41.12 38.22 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 3.04 -0.49 0.00 2.20 0.25 -0.24 119.74 127.22 2jrr s LYS 49 Ca -0.06 -0.97 -0.21 0.00 -0.36 0.00 0.00 55.97 54.38 2jrr s LYS 49 Cb -0.10 -3.93 0.04 0.00 -1.51 0.00 0.00 37.83 32.33 2jrr s LYS 49 CO -0.19 -0.70 0.70 0.71 -0.36 0.00 0.00 175.35 175.52 2jrr s TYR 50 N 1.68 3.00 -0.19 4.03 1.51 0.18 -0.12 117.35 127.43 2jrr s TYR 50 Ca 0.05 -0.25 -0.09 0.00 -1.01 0.00 0.00 57.07 55.77 2jrr s TYR 50 Cb -0.19 -3.60 -0.05 0.00 -0.11 0.00 0.00 41.96 38.02 2jrr s TYR 50 CO 0.10 -1.05 0.12 0.08 -1.11 0.00 0.00 175.55 173.69 2jrr s VAL 51 N 3.00 5.36 -0.25 0.71 1.01 0.01 -1.37 120.40 128.87 2jrr s VAL 51 Ca 0.21 0.17 -0.28 0.00 0.00 0.00 0.00 61.98 62.08 2jrr s VAL 51 Cb -0.16 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.80 2jrr s VAL 51 CO 0.16 0.47 0.98 -0.22 0.00 0.00 0.00 175.10 176.49 2jrr s LEU 52 N 0.17 4.07 -0.38 3.92 2.96 -0.81 -0.64 118.68 127.97 2jrr s LEU 52 Ca 0.08 1.22 -0.28 0.00 -0.22 0.00 0.00 54.13 54.93 2jrr s LEU 52 Cb -0.11 -3.43 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 2jrr s LEU 52 CO -0.01 -0.66 1.77 -0.75 -1.32 0.00 0.00 176.35 175.38 2jrr s LYS 53 N 3.16 3.24 0.00 1.98 2.20 0.20 -1.90 119.74 128.62 2jrr s LYS 53 Ca 0.41 1.25 0.00 0.00 -0.36 0.00 0.00 55.97 57.27 2jrr s LYS 53 Cb -0.15 -4.21 0.00 0.00 -1.51 0.00 0.00 37.83 31.96 2jrr s LYS 53 CO 0.08 -1.97 0.00 0.41 -0.36 0.00 0.00 175.35 173.51 2jrr n GLY 54 N 5.43 1.76 2.59 5.54 0.00 -1.26 -4.86 105.19 114.38 2jrr n GLY 54 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.15 0.26 1.61 3.41 -0.80 -4.91 113.62 113.35 2jrr n SER 55 Ca 0.00 -1.37 0.15 0.00 -0.26 0.00 0.00 58.87 57.40 2jrr n SER 55 Cb 0.00 -0.66 0.53 0.00 -0.26 0.00 0.00 64.21 63.82 2jrr n SER 55 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2jrr h LYS 56 N 0.00 0.00 -0.01 4.33 1.57 -1.86 -2.69 116.57 117.90 2jrr h LYS 56 Ca -0.28 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 2jrr h LYS 56 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2jrr h LYS 56 CO 0.21 0.01 -0.02 0.00 -0.57 0.00 0.00 179.45 179.08 2jrr h ALA 57 N 1.99 0.02 0.00 3.86 0.00 -1.81 -0.51 119.26 122.80 2jrr h ALA 57 Ca -0.00 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 2jrr h ALA 57 Cb 0.66 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2jrr h ALA 57 CO 0.00 -0.17 -0.81 0.22 0.00 0.00 0.00 179.25 178.49 2jrr h ASP 58 N -0.53 0.04 -0.13 0.00 3.58 -1.77 -3.30 116.42 114.32 2jrr h ASP 58 Ca 0.00 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 2jrr h ASP 58 Cb 0.60 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.64 2jrr h ASP 58 CO 0.01 0.83 -0.04 0.00 -2.88 0.00 0.00 179.24 177.15 2jrr h ALA 59 N 1.17 0.18 0.00 -0.78 0.00 -1.48 -3.47 119.26 114.88 2jrr h ALA 59 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2jrr h ALA 59 Cb 1.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2jrr h ALA 59 CO 0.11 -0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.58 2jrr n LEU 60 N -4.71 0.00 -0.60 0.00 4.77 -0.20 -4.63 117.00 111.62 2jrr n LEU 60 Ca -0.06 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.93 2jrr n LEU 60 Cb 0.26 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.42 2jrr n LEU 60 CO 0.37 0.00 0.41 -0.62 -1.33 0.00 0.00 177.39 176.22 2jrr n GLU 61 N -0.07 1.57 -3.78 3.23 1.02 -1.26 -4.84 120.64 116.52 2jrr n GLU 61 Ca 0.00 -0.52 -0.28 0.00 -0.02 0.00 0.00 57.16 56.33 2jrr n GLU 61 Cb 0.00 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 29.90 2jrr n GLU 61 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2jrr n HIS 62 N 0.04 -1.60 0.00 -0.32 1.44 -1.26 -1.53 115.22 111.99 2jrr n HIS 62 Ca 0.05 0.52 0.00 0.00 -2.01 0.00 0.00 57.72 56.28 2jrr n HIS 62 Cb 0.33 -2.24 0.00 0.00 0.12 0.00 0.00 29.99 28.21 2jrr n HIS 62 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2jrr n HIS 63 N -3.81 0.00 -0.92 -1.40 -0.00 -1.26 -4.89 115.22 102.94 2jrr n HIS 63 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 2jrr n HIS 63 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.48 2jrr n HIS 63 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jrr n HIS 64 N 0.00 -2.53 -1.63 1.57 -0.00 -0.58 -4.68 115.22 107.36 2jrr n HIS 64 Ca 0.00 1.36 -0.38 0.00 -0.00 0.00 0.00 57.72 58.70 2jrr n HIS 64 Cb 0.00 -2.40 -0.03 0.00 -0.00 0.00 0.00 29.99 27.56 2jrr n HIS 64 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jrr s HIS 65 N -3.58 1.18 -1.26 1.57 3.76 -1.26 -4.77 115.29 110.93 2jrr s HIS 65 Ca 0.00 1.23 0.23 0.00 -0.15 0.00 0.00 55.06 56.37 2jrr s HIS 65 Cb 0.00 -3.73 0.10 0.00 1.11 0.00 0.00 32.58 30.06 2jrr s HIS 65 CO 0.00 -2.87 1.14 0.72 -0.85 0.00 0.00 174.74 172.88 2jrr n HIS 66 N 14.47 0.00 -0.24 1.40 8.25 -1.26 -5.28 115.22 132.55 2jrr n HIS 66 Ca 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 2jrr n HIS 66 Cb 0.52 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.55 2jrr n HIS 66 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70