#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 0.78 0.00 1.12 -1.04 -1.26 -4.99 114.28 108.90 2jrr n THR 2 Ca 0.00 -0.87 0.00 0.00 -2.04 0.00 0.00 64.05 61.14 2jrr n THR 2 Cb 0.00 0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 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 -0.51 0.00 -1.30 12.58 5.41 -1.26 -3.76 119.36 130.52 2jrr n ILE 3 Ca 0.04 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.69 2jrr n ILE 3 Cb 0.49 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.38 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 -1.07 -1.37 -2.73 0.38 6.02 -1.26 -4.84 117.38 112.51 2jrr n GLN 4 Ca 0.00 0.83 -0.09 0.00 -0.01 0.00 0.00 57.00 57.73 2jrr n GLN 4 Cb 0.00 -5.05 0.08 0.00 1.02 0.00 0.00 30.24 26.29 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 1.19 1.54 -1.85 -1.58 0.00 -1.25 -5.01 120.51 113.56 2jrr n ALA 5 Ca -0.10 -1.94 -0.23 0.00 0.00 0.00 0.00 53.44 51.17 2jrr n ALA 5 Cb 0.50 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 2jrr n ALA 5 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jrr s PRO 6 N -0.83 2.20 -1.46 0.00 0.04 -1.26 -2.58 135.00 131.11 2jrr s PRO 6 Ca 0.25 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.42 2jrr s PRO 6 Cb 0.40 -4.89 0.00 0.00 0.04 0.00 0.00 34.50 30.04 2jrr s PRO 6 CO -0.05 -3.71 0.00 -1.91 0.04 0.00 0.00 177.00 171.37 2jrr n GLU 7 N 8.88 -1.35 -4.00 4.56 2.13 -1.26 -4.95 120.64 124.64 2jrr n GLU 7 Ca 0.41 0.97 -0.31 0.00 0.66 0.00 0.00 57.16 58.89 2jrr n GLU 7 Cb 0.46 -5.23 -0.15 0.00 0.27 0.00 0.00 31.44 26.79 2jrr n GLU 7 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2jrr s THR 8 N -2.31 1.80 -0.32 6.31 2.01 -1.06 -1.49 115.64 120.57 2jrr s THR 8 Ca 0.00 -1.37 -0.11 0.00 0.31 0.00 0.00 61.69 60.53 2jrr s THR 8 Cb 0.00 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.52 2jrr s THR 8 CO 0.00 -0.04 0.19 -0.75 -0.69 0.00 0.00 174.62 173.33 2jrr s LYS 9 N 1.28 3.39 -0.69 4.92 2.36 0.73 -4.52 119.74 127.20 2jrr s LYS 9 Ca -0.07 -0.70 -0.26 0.00 -2.55 0.00 0.00 55.97 52.40 2jrr s LYS 9 Cb -0.19 -3.67 0.04 0.00 -1.05 0.00 0.00 37.83 32.96 2jrr s LYS 9 CO -0.06 -0.43 1.18 0.42 1.55 0.00 0.00 175.35 178.01 2jrr s ILE 10 N 1.66 3.92 0.38 5.43 1.09 -1.26 -0.06 121.20 132.36 2jrr s ILE 10 Ca 0.05 0.32 0.07 0.00 -1.10 0.00 0.00 60.65 59.99 2jrr s ILE 10 Cb -0.17 -4.82 -0.01 0.00 -1.06 0.00 0.00 42.46 36.40 2jrr s ILE 10 CO 0.08 -1.66 0.45 0.68 -0.10 0.00 0.00 174.94 174.39 2jrr s VAL 11 N 5.18 3.28 -0.03 2.92 -7.23 -0.17 -4.90 120.40 119.45 2jrr s VAL 11 Ca 0.33 -1.14 0.17 0.00 -1.81 0.00 0.00 61.98 59.53 2jrr s VAL 11 Cb -0.10 -3.13 -0.26 0.00 0.56 0.00 0.00 36.38 33.45 2jrr s VAL 11 CO 0.16 -0.07 0.35 -0.90 -0.31 0.00 0.00 175.10 174.33 2jrr n ASP 12 N -1.64 1.16 -4.34 4.85 5.75 -1.26 -0.90 116.55 120.16 2jrr n ASP 12 Ca 0.03 0.00 -0.17 0.00 -0.01 0.00 0.00 54.79 54.64 2jrr n ASP 12 Cb 0.60 1.71 -0.10 0.00 -1.03 0.00 0.00 41.12 42.30 2jrr n ASP 12 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2jrr s LYS 13 N -3.12 1.35 0.03 0.11 1.02 -1.26 -4.81 119.74 113.05 2jrr s LYS 13 Ca -0.06 -1.67 -0.10 0.00 0.02 0.00 0.00 55.97 54.16 2jrr s LYS 13 Cb 0.10 -0.70 -0.32 0.00 -0.52 0.00 0.00 37.83 36.40 2jrr s LYS 13 CO 0.70 -0.06 0.96 0.77 -0.92 0.00 0.00 175.35 176.80 2jrr h SER 14 N 2.47 0.63 -3.16 2.83 0.02 -1.95 -3.43 113.55 110.95 2jrr h SER 14 Ca -0.38 -0.73 -0.62 0.00 -0.84 0.00 0.00 61.79 59.22 2jrr h SER 14 Cb 1.22 -0.20 -0.13 0.00 0.14 0.00 0.00 62.40 63.43 2jrr h SER 14 CO 0.65 1.59 0.51 -0.60 -1.14 0.00 0.00 176.83 177.84 2jrr s ARG 15 N -2.61 3.29 -0.03 3.45 6.06 -1.26 -0.90 118.95 126.94 2jrr s ARG 15 Ca -0.09 -0.38 0.03 0.00 -2.50 0.00 0.00 55.73 52.79 2jrr s ARG 15 Cb 0.06 -4.07 0.00 0.00 0.06 0.00 0.00 34.95 31.00 2jrr s ARG 15 CO 0.90 -1.49 -0.10 0.08 -2.50 0.00 0.00 175.30 172.19 2jrr s VAL 16 N 3.83 0.90 -0.37 7.11 1.01 -1.00 -5.00 120.40 126.88 2jrr s VAL 16 Ca 0.28 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 2jrr s VAL 16 Cb -0.14 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.45 2jrr s VAL 16 CO 0.18 0.28 1.32 0.00 0.00 0.00 0.00 175.10 176.88 2jrr s ALA 17 N 0.24 3.22 0.00 5.51 0.00 -1.26 -0.79 121.76 128.67 2jrr s ALA 17 Ca -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.84 2jrr s ALA 17 Cb -0.10 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.17 2jrr s ALA 17 CO 0.01 -2.07 0.00 0.00 0.00 0.00 0.00 175.76 173.70 2jrr n ASP 19 N -0.52 -2.35 0.00 0.00 9.92 -1.26 -3.97 116.55 118.36 2jrr n ASP 19 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2jrr n ASP 19 Cb 0.00 -2.18 0.00 0.00 -0.64 0.00 0.00 41.12 38.30 2jrr n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jrr n GLY 20 N -1.15 0.69 0.00 0.44 0.00 -1.25 -1.78 105.19 102.14 2jrr n GLY 20 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.95 0.00 0.00 -0.02 0.00 -0.99 -4.75 105.19 98.48 2jrr n GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jrr n GLY 21 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2jrr n GLU 22 N 0.00 3.66 -0.29 1.61 -0.00 -1.26 -4.71 120.64 119.64 2jrr n GLU 22 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.16 57.22 2jrr n GLU 22 Cb 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 31.44 31.60 2jrr n GLU 22 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2jrr h GLY 23 N 0.00 0.80 -2.67 -1.84 0.00 -2.02 0.31 103.07 97.65 2jrr h GLY 23 Ca 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 2jrr h GLY 23 CO 0.00 -0.35 0.03 0.00 0.00 0.00 0.00 176.54 176.22 2jrr n ALA 24 N -3.21 3.59 -1.89 3.60 0.00 -1.26 -4.93 120.51 116.42 2jrr n ALA 24 Ca 0.15 -2.19 -0.20 0.00 0.00 0.00 0.00 53.44 51.20 2jrr n ALA 24 Cb 0.50 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.02 -1.63 0.00 0.00 4.77 0.11 -4.46 117.00 115.78 2jrr n LEU 25 Ca 0.27 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 2jrr n LEU 25 Cb 1.08 -2.83 0.00 0.00 -2.33 0.00 0.00 43.42 39.34 2jrr n LEU 25 CO 0.26 -0.75 0.00 0.61 -1.33 0.00 0.00 177.39 176.18 2jrr n GLY 26 N -0.60 0.84 3.76 -0.72 0.00 -1.26 -2.35 105.19 104.85 2jrr n GLY 26 Ca -0.22 0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 3.59 0.00 1.61 3.76 -0.73 -4.97 115.29 118.55 2jrr s HIS 27 Ca 0.00 0.90 0.00 0.00 -0.15 0.00 0.00 55.06 55.81 2jrr s HIS 27 Cb 0.00 -2.43 0.00 0.00 1.11 0.00 0.00 32.58 31.26 2jrr s HIS 27 CO 0.00 0.36 0.00 -2.30 -0.85 0.00 0.00 174.74 171.95 2jrr n PRO 28 N 2.95 0.00 0.00 8.40 -0.02 -1.26 -3.93 135.00 141.14 2jrr n PRO 28 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 2jrr n PRO 28 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 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 -3.50 0.00 -3.70 -0.52 3.00 -1.26 -4.77 116.66 105.91 2jrr n ARG 29 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.49 2jrr n ARG 29 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.37 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 0.00 5.29 -0.30 5.15 1.01 -1.25 -5.03 120.40 125.26 2jrr s VAL 30 Ca 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.05 2jrr s VAL 30 Cb 0.00 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.92 2jrr s VAL 30 CO 0.00 0.37 0.13 0.26 0.00 0.00 0.00 175.10 175.86 2jrr s TRP 31 N 0.92 3.16 0.50 5.22 0.52 -1.26 -0.56 118.94 127.44 2jrr s TRP 31 Ca 0.07 -0.67 0.06 0.00 0.02 0.00 0.00 56.10 55.58 2jrr s TRP 31 Cb -0.13 -2.32 0.04 0.00 -1.15 0.00 0.00 33.47 29.91 2jrr s TRP 31 CO 0.03 -0.48 0.69 -0.51 0.02 0.00 0.00 176.95 176.69 2jrr s LEU 32 N 1.58 3.42 -0.10 2.99 1.02 0.03 -4.96 118.68 122.66 2jrr s LEU 32 Ca 0.04 -0.42 -0.03 0.00 0.02 0.00 0.00 54.13 53.75 2jrr s LEU 32 Cb -0.17 -2.46 0.04 0.00 0.02 0.00 0.00 46.19 43.62 2jrr s LEU 32 CO 0.05 -1.03 0.04 -1.58 0.02 0.00 0.00 176.35 173.85 2jrr s GLN 33 N -4.55 0.29 -0.07 1.70 2.00 -1.26 -2.38 119.66 115.39 2jrr s GLN 33 Ca 0.58 0.07 -0.30 0.00 -2.00 0.00 0.00 55.36 53.71 2jrr s GLN 33 Cb -0.09 -1.19 -0.05 0.00 0.80 0.00 0.00 33.01 32.49 2jrr s GLN 33 CO 0.36 -0.44 1.57 0.42 -0.50 0.00 0.00 175.29 176.71 2jrr s ILE 34 N 2.05 3.71 -0.39 -2.34 1.01 -0.08 -4.89 121.20 120.27 2jrr s ILE 34 Ca 0.03 0.87 -0.29 0.00 0.00 0.00 0.00 60.65 61.27 2jrr s ILE 34 Cb -0.14 -3.56 0.01 0.00 0.01 0.00 0.00 42.46 38.78 2jrr s ILE 34 CO -0.06 -0.07 1.39 -2.16 0.00 0.00 0.00 174.94 174.04 2jrr s PRO 35 N 3.87 3.64 0.65 2.79 0.04 -1.26 -4.89 135.00 139.84 2jrr s PRO 35 Ca 0.70 0.99 0.32 0.00 0.04 0.00 0.00 61.00 63.04 2jrr s PRO 35 Cb -0.31 -4.00 1.76 0.00 0.04 0.00 0.00 34.50 31.99 2jrr s PRO 35 CO 0.27 -1.48 2.03 1.49 0.04 0.00 0.00 177.00 179.34 2jrr h GLU 36 N 10.42 0.00 -0.29 4.56 4.81 -1.94 0.18 114.58 132.32 2jrr h GLU 36 Ca -0.27 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2jrr h GLU 36 Cb 1.10 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 2jrr h GLU 36 CO 1.08 0.00 0.17 0.22 -0.73 0.00 0.00 179.01 179.74 2jrr h ASP 37 N 0.00 0.35 0.00 1.04 3.58 -1.99 -3.35 116.42 116.05 2jrr h ASP 37 Ca 0.04 -0.06 -0.21 0.00 0.42 0.00 0.00 57.03 57.22 2jrr h ASP 37 Cb 0.58 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.51 2jrr h ASP 37 CO -0.00 0.31 -1.14 0.71 -2.88 0.00 0.00 179.24 176.24 2jrr h THR 38 N 0.36 0.97 0.00 2.25 1.35 -1.16 -3.49 112.91 113.18 2jrr h THR 38 Ca 0.10 -2.17 0.00 0.00 -0.55 0.00 0.00 66.41 63.80 2jrr h THR 38 Cb 0.03 2.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2jrr h THR 38 CO -0.02 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 2jrr n GLY 39 N 1.45 0.68 3.30 5.82 0.00 -0.01 -4.55 105.19 111.87 2jrr n GLY 39 Ca -0.30 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.17 -0.09 1.61 1.48 -1.26 -0.76 118.94 117.75 2jrr s TRP 40 Ca 0.00 -0.11 -0.04 0.00 -1.06 0.00 0.00 56.10 54.88 2jrr s TRP 40 Cb 0.00 0.21 0.05 0.00 -1.16 0.00 0.00 33.47 32.57 2jrr s TRP 40 CO 0.00 -0.65 0.20 0.54 -4.06 0.00 0.00 176.95 172.98 2jrr s VAL 41 N -3.56 -0.14 0.12 -0.66 0.11 -0.44 -4.27 120.40 111.56 2jrr s VAL 41 Ca 0.02 0.22 0.03 0.00 -2.93 0.00 0.00 61.98 59.31 2jrr s VAL 41 Cb 0.02 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 2jrr s VAL 41 CO -0.10 0.09 0.16 -1.83 -3.33 0.00 0.00 175.10 170.09 2jrr s GLU 42 N 1.60 3.08 0.19 1.54 -1.05 -1.26 -0.46 118.70 122.34 2jrr s GLU 42 Ca -0.05 -0.70 -0.30 0.00 -0.15 0.00 0.00 54.97 53.77 2jrr s GLU 42 Cb -0.11 -2.79 -0.09 0.00 -0.44 0.00 0.00 34.13 30.70 2jrr s GLU 42 CO -0.07 0.54 1.31 0.00 0.95 0.00 0.00 175.26 177.98 2jrr n PRO 44 N 2.70 0.37 0.00 0.00 -0.04 -1.26 -4.62 135.00 132.16 2jrr n PRO 44 Ca 0.06 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2jrr n PRO 44 Cb 0.43 -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 -1.30 0.00 -1.22 0.54 4.02 -1.26 -5.05 117.16 112.89 2jrr n TYR 45 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 2jrr n TYR 45 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 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 0.00 0.00 -2.94 0.00 9.92 -1.26 -5.12 116.55 117.15 2jrr n ASP 47 Ca 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.13 2jrr n ASP 47 Cb 0.50 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.97 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 -2.57 3.73 -0.37 0.00 2.20 -0.56 -1.06 119.74 121.11 2jrr s LYS 49 Ca 0.25 -0.46 -0.14 0.00 -0.36 0.00 0.00 55.97 55.26 2jrr s LYS 49 Cb -0.02 -3.15 -0.00 0.00 -1.51 0.00 0.00 37.83 33.14 2jrr s LYS 49 CO 0.18 0.06 0.27 0.71 -0.36 0.00 0.00 175.35 176.22 2jrr s TYR 50 N 0.90 3.23 -0.18 4.03 1.51 0.39 -0.19 117.35 127.04 2jrr s TYR 50 Ca 0.02 -0.34 -0.11 0.00 -1.01 0.00 0.00 57.07 55.63 2jrr s TYR 50 Cb -0.14 -2.54 -0.05 0.00 -0.11 0.00 0.00 41.96 39.12 2jrr s TYR 50 CO 0.02 -0.46 0.17 0.08 -1.11 0.00 0.00 175.55 174.26 2jrr s VAL 51 N 1.73 5.39 -0.25 0.71 1.01 0.92 -1.33 120.40 128.58 2jrr s VAL 51 Ca 0.06 0.28 -0.29 0.00 0.00 0.00 0.00 61.98 62.03 2jrr s VAL 51 Cb -0.18 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2jrr s VAL 51 CO 0.10 0.46 1.15 -0.22 0.00 0.00 0.00 175.10 176.59 2jrr s LEU 52 N 0.16 4.04 0.52 3.92 2.96 0.06 -1.00 118.68 129.34 2jrr s LEU 52 Ca 0.11 1.34 -0.19 0.00 -0.22 0.00 0.00 54.13 55.17 2jrr s LEU 52 Cb -0.12 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.96 2jrr s LEU 52 CO 0.00 -0.82 1.05 -0.75 -1.32 0.00 0.00 176.35 174.51 2jrr s LYS 53 N 3.57 3.64 -0.06 1.98 2.20 -0.08 -3.24 119.74 127.74 2jrr s LYS 53 Ca 0.49 1.34 0.00 0.00 -0.36 0.00 0.00 55.97 57.44 2jrr s LYS 53 Cb -0.16 -2.07 0.00 0.00 -1.51 0.00 0.00 37.83 34.09 2jrr s LYS 53 CO 0.14 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 174.97 2jrr n GLY 54 N -0.40 0.47 2.87 5.54 0.00 -1.26 -4.89 105.19 107.52 2jrr n GLY 54 Ca 0.09 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 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 0.79 2.84 -0.04 1.61 2.88 -1.20 -5.01 113.62 115.49 2jrr n SER 55 Ca -0.01 -2.64 0.03 0.00 -1.33 0.00 0.00 58.87 54.92 2jrr n SER 55 Cb 0.04 0.17 0.37 0.00 -0.75 0.00 0.00 64.21 64.04 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 0.62 -0.21 -1.46 1.57 -1.89 -1.91 116.57 113.29 2jrr h LYS 56 Ca -0.31 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 2jrr h LYS 56 Cb 0.99 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2jrr h LYS 56 CO 0.50 0.44 0.00 0.00 -0.57 0.00 0.00 179.45 179.82 2jrr n ALA 57 N -2.47 2.48 1.29 3.86 0.00 -1.26 -3.83 120.51 120.59 2jrr n ALA 57 Ca 0.04 -0.40 0.11 0.00 0.00 0.00 0.00 53.44 53.19 2jrr n ALA 57 Cb 0.08 -1.02 0.41 0.00 0.00 0.00 0.00 19.45 18.92 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 0.13 1.63 -3.38 0.00 2.03 -0.72 -4.55 116.55 111.69 2jrr n ASP 58 Ca 0.09 -1.65 -0.24 0.00 0.52 0.00 0.00 54.79 53.51 2jrr n ASP 58 Cb 0.20 -0.08 -0.10 0.00 -0.72 0.00 0.00 41.12 40.43 2jrr n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jrr s ALA 59 N -1.84 0.49 -1.04 -1.67 0.00 -1.25 -4.92 121.76 111.52 2jrr s ALA 59 Ca 0.34 -1.68 0.04 0.00 0.00 0.00 0.00 51.96 50.66 2jrr s ALA 59 Cb 0.18 -1.79 0.21 0.00 0.00 0.00 0.00 23.12 21.73 2jrr s ALA 59 CO 0.28 -2.10 0.90 1.28 0.00 0.00 0.00 175.76 176.13 2jrr n LEU 60 N 3.76 2.04 -4.87 0.00 4.32 -1.26 -4.90 117.00 116.09 2jrr n LEU 60 Ca 0.16 -1.03 -0.33 0.00 -0.02 0.00 0.00 56.01 54.80 2jrr n LEU 60 Cb 0.43 -0.47 -0.05 0.00 -1.62 0.00 0.00 43.42 41.71 2jrr n LEU 60 CO 0.10 0.33 0.23 -1.61 -1.22 0.00 0.00 177.39 175.23 2jrr s GLU 61 N -1.53 3.85 -0.11 3.23 2.02 -1.26 -5.00 118.70 119.90 2jrr s GLU 61 Ca 0.14 0.34 -0.04 0.00 0.02 0.00 0.00 54.97 55.44 2jrr s GLU 61 Cb 0.10 -2.69 -0.26 0.00 0.10 0.00 0.00 34.13 31.39 2jrr s GLU 61 CO 0.05 0.34 0.41 1.58 0.02 0.00 0.00 175.26 177.66 2jrr n HIS 62 N 0.03 1.23 -3.15 1.61 -0.00 -1.26 -4.93 115.22 108.75 2jrr n HIS 62 Ca -0.00 0.28 0.05 0.00 -0.00 0.00 0.00 57.72 58.05 2jrr n HIS 62 Cb 0.52 -1.17 -0.00 0.00 -0.00 0.00 0.00 29.99 29.34 2jrr n HIS 62 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jrr s HIS 63 N -2.56 -0.76 0.00 1.57 5.65 -1.26 -5.10 115.29 112.83 2jrr s HIS 63 Ca -0.20 0.44 0.00 0.00 0.25 0.00 0.00 55.06 55.56 2jrr s HIS 63 Cb 0.07 0.13 0.00 0.00 -1.18 0.00 0.00 32.58 31.60 2jrr s HIS 63 CO 0.78 -0.44 0.00 1.58 -0.65 0.00 0.00 174.74 176.01 2jrr n HIS 64 N 5.17 0.00 -3.58 3.88 -0.00 -1.26 -5.06 115.22 114.38 2jrr n HIS 64 Ca 0.08 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.53 2jrr n HIS 64 Cb 0.57 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.46 2jrr n HIS 64 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jrr n HIS 65 N -0.91 2.54 0.56 1.57 -0.00 -1.26 -4.83 115.22 112.90 2jrr n HIS 65 Ca 0.00 -4.06 0.12 0.00 -0.00 0.00 0.00 57.72 53.78 2jrr n HIS 65 Cb 0.00 -0.47 0.17 0.00 -0.00 0.00 0.00 29.99 29.69 2jrr n HIS 65 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jrr n HIS 66 N 1.55 0.58 0.63 1.57 8.25 -1.26 -5.09 115.22 121.45 2jrr n HIS 66 Ca 0.25 0.17 0.08 0.00 -0.26 0.00 0.00 57.72 57.96 2jrr n HIS 66 Cb 0.41 -0.67 0.06 0.00 1.12 0.00 0.00 29.99 30.91 2jrr n HIS 66 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56