#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 -3.60 1.12 -1.04 -1.26 -5.02 114.28 104.49 2jrr n THR 2 Ca 0.00 -0.43 -0.22 0.00 -2.04 0.00 0.00 64.05 61.35 2jrr n THR 2 Cb 0.00 1.23 0.00 0.00 -1.82 0.00 0.00 70.33 69.74 2jrr n THR 2 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 2jrr n ILE 3 N 0.34 -2.80 -1.42 12.58 -6.64 -1.26 -4.64 119.36 115.52 2jrr n ILE 3 Ca 0.07 -0.00 -0.49 0.00 -1.77 0.00 0.00 62.75 60.56 2jrr n ILE 3 Cb 0.32 -2.50 -0.10 0.00 -1.44 0.00 0.00 39.64 35.92 2jrr n ILE 3 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2jrr n GLN 4 N -2.21 0.47 0.07 6.28 6.02 -1.26 -4.40 117.38 122.35 2jrr n GLN 4 Ca -0.27 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 2jrr n GLN 4 Cb 0.60 -2.03 0.00 0.00 1.02 0.00 0.00 30.24 29.83 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 10.06 0.00 -0.16 -1.58 0.00 -1.26 -4.97 120.51 122.60 2jrr n ALA 5 Ca 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.93 2jrr n ALA 5 Cb 0.13 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.59 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 -2.74 1.12 -0.77 0.00 -0.04 -1.26 -4.51 135.00 126.80 2jrr n PRO 6 Ca 0.00 -0.24 -0.15 0.00 -0.04 0.00 0.00 63.50 63.07 2jrr n PRO 6 Cb 0.00 -1.09 0.10 0.00 -0.04 0.00 0.00 33.50 32.46 2jrr n PRO 6 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jrr n GLU 7 N 1.05 1.78 -5.12 0.54 1.02 -1.26 -4.83 120.64 113.82 2jrr n GLU 7 Ca 0.05 -1.79 -0.30 0.00 -0.02 0.00 0.00 57.16 55.10 2jrr n GLU 7 Cb 0.53 -1.70 -0.16 0.00 -0.02 0.00 0.00 31.44 30.09 2jrr n GLU 7 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2jrr s THR 8 N -2.09 1.83 -0.01 2.62 2.01 -1.26 -0.29 115.64 118.46 2jrr s THR 8 Ca 0.34 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.41 2jrr s THR 8 Cb 0.28 -1.55 0.00 0.00 0.01 0.00 0.00 72.50 71.24 2jrr s THR 8 CO 0.05 0.51 -0.03 -0.54 -0.69 0.00 0.00 174.62 173.93 2jrr s LYS 9 N -0.12 0.31 -0.46 4.92 1.02 0.86 -4.94 119.74 121.33 2jrr s LYS 9 Ca -0.03 -0.09 -0.17 0.00 0.02 0.00 0.00 55.97 55.70 2jrr s LYS 9 Cb -0.13 -0.33 0.05 0.00 -0.52 0.00 0.00 37.83 36.90 2jrr s LYS 9 CO 0.03 0.04 0.46 0.42 -0.92 0.00 0.00 175.35 175.37 2jrr s ILE 10 N 0.14 5.10 0.17 2.17 1.01 -1.26 0.50 121.20 129.03 2jrr s ILE 10 Ca -0.01 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.03 2jrr s ILE 10 Cb -0.04 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.27 2jrr s ILE 10 CO -0.00 -0.56 0.30 -0.69 0.00 0.00 0.00 174.94 173.99 2jrr s VAL 11 N 2.06 5.30 -1.33 2.92 1.01 0.86 -4.87 120.40 126.35 2jrr s VAL 11 Ca 0.10 -0.77 0.26 0.00 0.00 0.00 0.00 61.98 61.56 2jrr s VAL 11 Cb -0.20 -3.77 0.12 0.00 0.00 0.00 0.00 36.38 32.53 2jrr s VAL 11 CO 0.11 -0.15 1.48 -0.90 0.00 0.00 0.00 175.10 175.63 2jrr n ASP 12 N -0.76 0.73 -4.20 3.32 5.75 -1.26 -0.24 116.55 119.89 2jrr n ASP 12 Ca -0.07 -0.54 -0.18 0.00 -0.01 0.00 0.00 54.79 53.99 2jrr n ASP 12 Cb 0.55 0.21 -0.12 0.00 -1.03 0.00 0.00 41.12 40.73 2jrr n ASP 12 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2jrr s LYS 13 N -2.78 0.89 0.00 0.11 -2.85 -1.26 -4.72 119.74 109.12 2jrr s LYS 13 Ca 0.17 -1.08 0.05 0.00 -1.00 0.00 0.00 55.97 54.12 2jrr s LYS 13 Cb 0.18 -0.82 0.19 0.00 -2.06 0.00 0.00 37.83 35.33 2jrr s LYS 13 CO 0.62 0.17 1.14 0.43 0.10 0.00 0.00 175.35 177.81 2jrr n SER 14 N 0.94 0.72 -3.92 0.03 7.64 -1.26 -4.73 113.62 113.04 2jrr n SER 14 Ca -0.19 -1.96 -0.28 0.00 1.01 0.00 0.00 58.87 57.45 2jrr n SER 14 Cb 0.55 -0.09 -0.17 0.00 -1.01 0.00 0.00 64.21 63.50 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 -1.83 1.62 0.09 1.43 0.52 -1.26 -0.53 118.95 118.99 2jrr s ARG 15 Ca 0.11 -0.48 0.05 0.00 -0.52 0.00 0.00 55.73 54.88 2jrr s ARG 15 Cb 0.06 -1.95 -0.03 0.00 0.52 0.00 0.00 34.95 33.55 2jrr s ARG 15 CO 0.08 -0.37 -0.12 0.08 0.02 0.00 0.00 175.30 174.99 2jrr s VAL 16 N 1.61 1.05 0.48 3.52 1.01 -0.95 -4.98 120.40 122.14 2jrr s VAL 16 Ca 0.02 -1.48 -0.15 0.00 0.00 0.00 0.00 61.98 60.37 2jrr s VAL 16 Cb -0.14 -1.22 -0.08 0.00 0.00 0.00 0.00 36.38 34.94 2jrr s VAL 16 CO -0.08 -0.38 0.93 0.00 0.00 0.00 0.00 175.10 175.56 2jrr s ALA 17 N -1.83 3.13 0.00 5.51 0.00 -1.26 -0.58 121.76 126.73 2jrr s ALA 17 Ca 0.02 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2jrr s ALA 17 Cb -0.07 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.03 2jrr s ALA 17 CO 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 175.76 175.63 2jrr n ASP 19 N -1.84 -7.13 0.00 0.00 2.03 -1.26 -4.29 116.55 104.07 2jrr n ASP 19 Ca 0.00 0.84 0.00 0.00 0.52 0.00 0.00 54.79 56.15 2jrr n ASP 19 Cb 0.00 -4.74 0.00 0.00 -0.72 0.00 0.00 41.12 35.66 2jrr n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jrr n GLY 20 N 0.13 3.11 0.00 0.27 0.00 -1.26 0.45 105.19 107.89 2jrr n GLY 20 Ca 0.05 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.00 0.00 3.52 -0.02 0.00 -1.22 -3.21 105.19 103.27 2jrr n GLY 21 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.89 0.17 1.61 2.56 -1.26 -4.92 118.70 117.74 2jrr s GLU 22 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 54.97 55.52 2jrr s GLU 22 Cb 0.00 0.43 0.00 0.00 2.00 0.00 0.00 34.13 36.56 2jrr s GLU 22 CO 0.00 -0.20 0.00 0.41 -0.56 0.00 0.00 175.26 174.91 2jrr n GLY 23 N 1.82 0.57 0.00 -1.50 0.00 -1.26 0.07 105.19 104.89 2jrr n GLY 23 Ca -0.17 0.53 0.11 0.00 0.00 0.00 0.00 46.02 46.50 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 6.27 2.56 -1.17 4.61 0.00 -1.26 -4.87 120.51 126.64 2jrr n ALA 24 Ca 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.24 2jrr n ALA 24 Cb 0.00 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.05 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 -0.89 0.03 0.00 0.00 4.77 0.11 -4.79 117.00 116.23 2jrr n LEU 25 Ca 0.17 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2jrr n LEU 25 Cb 0.08 -2.12 0.00 0.00 -2.33 0.00 0.00 43.42 39.05 2jrr n LEU 25 CO 0.13 -0.79 0.00 0.61 -1.33 0.00 0.00 177.39 176.01 2jrr n GLY 26 N -0.37 3.43 2.40 -0.72 0.00 -1.26 -3.37 105.19 105.30 2jrr n GLY 26 Ca -0.06 0.25 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 2jrr n GLY 26 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jrr n HIS 27 N 11.39 -2.52 0.08 1.61 8.25 0.17 -4.97 115.22 129.23 2jrr n HIS 27 Ca 0.00 1.05 -0.04 0.00 -0.26 0.00 0.00 57.72 58.47 2jrr n HIS 27 Cb 0.00 -3.28 -0.02 0.00 1.12 0.00 0.00 29.99 27.81 2jrr n HIS 27 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2jrr h PRO 28 N 1.60 -0.26 0.00 -0.41 0.13 -1.80 -3.48 132.00 127.78 2jrr h PRO 28 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2jrr h PRO 28 Cb 0.47 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.66 2jrr h PRO 28 CO 0.12 -0.18 0.00 -2.13 -0.23 0.00 0.00 178.00 175.58 2jrr n ARG 29 N -4.30 0.00 -4.65 0.86 3.00 -1.26 -5.14 116.66 105.16 2jrr n ARG 29 Ca -0.03 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.57 2jrr n ARG 29 Cb 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.41 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 1.20 -0.07 5.15 1.01 -1.26 -5.02 120.40 121.41 2jrr s VAL 30 Ca 0.00 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.46 2jrr s VAL 30 Cb 0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 2jrr s VAL 30 CO 0.00 0.36 -0.17 0.26 0.00 0.00 0.00 175.10 175.56 2jrr s TRP 31 N 0.42 2.66 0.02 5.22 0.52 -1.26 0.40 118.94 126.92 2jrr s TRP 31 Ca -0.10 -0.43 0.05 0.00 0.02 0.00 0.00 56.10 55.64 2jrr s TRP 31 Cb -0.14 -1.68 -0.03 0.00 -1.15 0.00 0.00 33.47 30.47 2jrr s TRP 31 CO 0.03 -0.02 -0.12 -0.51 0.02 0.00 0.00 176.95 176.35 2jrr s LEU 32 N -0.30 2.89 -0.26 2.99 1.02 0.25 -4.94 118.68 120.33 2jrr s LEU 32 Ca 0.02 -0.28 -0.09 0.00 0.02 0.00 0.00 54.13 53.80 2jrr s LEU 32 Cb -0.13 -1.67 -0.04 0.00 0.02 0.00 0.00 46.19 44.38 2jrr s LEU 32 CO 0.03 0.27 0.12 -1.58 0.02 0.00 0.00 176.35 175.20 2jrr s GLN 33 N -1.41 3.75 -0.30 1.70 2.00 -1.26 -2.24 119.66 121.89 2jrr s GLN 33 Ca 0.16 -0.43 -0.29 0.00 -2.00 0.00 0.00 55.36 52.80 2jrr s GLN 33 Cb -0.11 -3.45 -0.00 0.00 0.80 0.00 0.00 33.01 30.25 2jrr s GLN 33 CO 0.06 -0.19 1.35 0.42 -0.50 0.00 0.00 175.29 176.43 2jrr s ILE 34 N 1.67 4.06 0.08 -2.34 1.01 0.31 -4.84 121.20 121.15 2jrr s ILE 34 Ca 0.07 1.19 -0.30 0.00 0.00 0.00 0.00 60.65 61.60 2jrr s ILE 34 Cb -0.15 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 2jrr s ILE 34 CO 0.06 -0.48 1.04 -2.16 0.00 0.00 0.00 174.94 173.40 2jrr s PRO 35 N 4.31 4.58 0.00 2.79 0.04 -1.26 -4.86 135.00 140.60 2jrr s PRO 35 Ca 0.59 1.56 0.26 0.00 0.04 0.00 0.00 61.00 63.44 2jrr s PRO 35 Cb -0.17 -3.38 1.21 0.00 0.04 0.00 0.00 34.50 32.19 2jrr s PRO 35 CO 0.25 0.00 1.85 -0.85 0.04 0.00 0.00 177.00 178.29 2jrr n GLU 36 N 3.32 0.20 0.18 4.56 0.28 -1.26 -0.52 120.64 127.40 2jrr n GLU 36 Ca 0.05 0.05 -0.13 0.00 -0.16 0.00 0.00 57.16 56.98 2jrr n GLU 36 Cb 0.49 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.78 2jrr n GLU 36 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2jrr h ASP 37 N 0.00 -0.42 0.17 -1.84 1.82 -1.98 -3.37 116.42 110.81 2jrr h ASP 37 Ca 0.00 -0.15 -0.24 0.00 -0.39 0.00 0.00 57.03 56.26 2jrr h ASP 37 Cb 0.33 0.11 0.02 0.00 0.68 0.00 0.00 39.33 40.48 2jrr h ASP 37 CO 0.00 -0.02 -1.05 0.71 -1.61 0.00 0.00 179.24 177.27 2jrr h THR 38 N -0.89 1.40 0.00 2.25 1.35 -1.97 -3.48 112.91 111.57 2jrr h THR 38 Ca -0.05 -2.57 0.00 0.00 -0.55 0.00 0.00 66.41 63.24 2jrr h THR 38 Cb 0.54 3.12 0.00 0.00 -1.73 0.00 0.00 68.15 70.07 2jrr h THR 38 CO 0.08 0.74 0.00 0.61 -0.25 0.00 0.00 175.52 176.71 2jrr n GLY 39 N 1.69 0.57 3.48 5.82 0.00 0.32 -4.55 105.19 112.52 2jrr n GLY 39 Ca -0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.47 -0.10 1.61 1.48 -1.23 -0.90 118.94 117.33 2jrr s TRP 40 Ca 0.00 0.24 -0.06 0.00 -1.06 0.00 0.00 56.10 55.22 2jrr s TRP 40 Cb 0.00 0.57 0.04 0.00 -1.16 0.00 0.00 33.47 32.92 2jrr s TRP 40 CO 0.00 -0.84 0.25 0.54 -4.06 0.00 0.00 176.95 172.84 2jrr s VAL 41 N -3.67 -0.03 -0.06 -0.66 0.11 -0.46 -4.35 120.40 111.29 2jrr s VAL 41 Ca 0.03 0.10 0.02 0.00 -2.93 0.00 0.00 61.98 59.19 2jrr s VAL 41 Cb -0.02 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 2jrr s VAL 41 CO -0.10 0.04 -0.09 -1.83 -3.33 0.00 0.00 175.10 169.79 2jrr s GLU 42 N 0.88 2.66 -0.33 1.54 -1.05 -1.26 -0.47 118.70 120.67 2jrr s GLU 42 Ca -0.06 -0.60 -0.29 0.00 -0.15 0.00 0.00 54.97 53.87 2jrr s GLU 42 Cb -0.07 -2.53 0.00 0.00 -0.44 0.00 0.00 34.13 31.09 2jrr s GLU 42 CO -0.06 0.65 1.40 0.00 0.95 0.00 0.00 175.26 178.21 2jrr n PRO 44 N 7.70 0.12 -0.09 0.00 -0.02 -1.26 0.61 135.00 142.06 2jrr n PRO 44 Ca 0.16 0.61 -0.18 0.00 -2.02 0.00 0.00 63.50 62.08 2jrr n PRO 44 Cb 0.47 -1.95 -0.10 0.00 -0.02 0.00 0.00 33.50 31.90 2jrr n PRO 44 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 2jrr h TYR 45 N 0.00 0.00 -0.02 6.00 -1.99 -1.90 -3.40 116.97 115.66 2jrr h TYR 45 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2jrr h TYR 45 Cb 0.12 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.85 2jrr h TYR 45 CO 0.00 1.18 -0.31 0.00 -0.00 0.00 0.00 178.16 179.03 2jrr n ASP 47 N 0.19 -5.11 -4.64 0.00 8.00 0.20 -4.95 116.55 110.24 2jrr n ASP 47 Ca 0.09 0.02 -0.43 0.00 0.71 0.00 0.00 54.79 55.18 2jrr n ASP 47 Cb 0.42 -2.70 -0.02 0.00 -0.02 0.00 0.00 41.12 38.79 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 4.06 3.52 -0.52 0.00 2.20 0.61 -1.11 119.74 128.50 2jrr s LYS 49 Ca 0.60 -0.15 -0.17 0.00 -0.36 0.00 0.00 55.97 55.89 2jrr s LYS 49 Cb -0.21 -3.86 0.08 0.00 -1.51 0.00 0.00 37.83 32.34 2jrr s LYS 49 CO 0.22 -0.81 0.54 0.71 -0.36 0.00 0.00 175.35 175.65 2jrr s TYR 50 N 2.67 3.14 0.25 4.03 2.02 0.37 -0.10 117.35 129.74 2jrr s TYR 50 Ca 0.22 -0.89 -0.25 0.00 -0.37 0.00 0.00 57.07 55.79 2jrr s TYR 50 Cb -0.15 -3.55 -0.09 0.00 -0.40 0.00 0.00 41.96 37.78 2jrr s TYR 50 CO 0.16 -1.00 0.84 0.08 -1.57 0.00 0.00 175.55 174.06 2jrr s VAL 51 N 2.11 4.33 -0.17 0.71 1.01 0.18 -1.36 120.40 127.21 2jrr s VAL 51 Ca 0.08 1.68 -0.21 0.00 0.00 0.00 0.00 61.98 63.54 2jrr s VAL 51 Cb -0.24 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 2jrr s VAL 51 CO 0.07 0.29 0.61 -0.22 0.00 0.00 0.00 175.10 175.86 2jrr s LEU 52 N -1.72 4.18 -0.05 3.92 2.96 -0.08 -0.10 118.68 127.79 2jrr s LEU 52 Ca 0.44 0.85 -0.30 0.00 -0.22 0.00 0.00 54.13 54.90 2jrr s LEU 52 Cb -0.20 -2.87 -0.05 0.00 0.50 0.00 0.00 46.19 43.57 2jrr s LEU 52 CO 0.25 -0.22 1.42 -0.75 -1.32 0.00 0.00 176.35 175.73 2jrr s LYS 53 N 1.63 4.25 0.00 1.98 2.36 0.66 -3.61 119.74 127.01 2jrr s LYS 53 Ca 0.29 1.94 0.00 0.00 -2.55 0.00 0.00 55.97 55.65 2jrr s LYS 53 Cb -0.16 -3.71 0.00 0.00 -1.05 0.00 0.00 37.83 32.91 2jrr s LYS 53 CO 0.11 -0.66 0.00 0.41 1.55 0.00 0.00 175.35 176.76 2jrr n GLY 54 N 3.73 0.60 3.12 5.54 0.00 -1.26 -4.89 105.19 112.04 2jrr n GLY 54 Ca 0.14 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.16 -1.66 0.15 1.61 3.41 -1.24 -5.01 113.62 110.73 2jrr n SER 55 Ca 0.00 -2.49 0.12 0.00 -0.26 0.00 0.00 58.87 56.24 2jrr n SER 55 Cb 0.07 2.86 0.54 0.00 -0.26 0.00 0.00 64.21 67.43 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 -0.20 4.33 3.64 -1.89 -1.56 116.57 120.89 2jrr h LYS 56 Ca -0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2jrr h LYS 56 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2jrr h LYS 56 CO 0.35 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.53 2jrr n ALA 57 N -1.81 2.44 -2.70 5.00 0.00 -1.26 -4.98 120.51 117.20 2jrr n ALA 57 Ca 0.01 -0.83 -0.31 0.00 0.00 0.00 0.00 53.44 52.30 2jrr n ALA 57 Cb 0.19 -0.84 -0.08 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.77 4.12 -0.18 0.00 2.15 -0.59 -4.98 116.67 115.43 2jrr s ASP 58 Ca 0.33 -1.55 -0.03 0.00 0.43 0.00 0.00 52.55 51.73 2jrr s ASP 58 Cb 0.21 0.28 0.00 0.00 -0.30 0.00 0.00 42.92 43.11 2jrr s ASP 58 CO 0.31 -0.77 0.12 0.00 -0.17 0.00 0.00 175.17 174.66 2jrr n ALA 59 N -1.23 -3.15 -2.85 3.66 0.00 -1.26 -4.72 120.51 110.95 2jrr n ALA 59 Ca -0.14 0.39 -0.44 0.00 0.00 0.00 0.00 53.44 53.25 2jrr n ALA 59 Cb 0.67 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 2jrr n ALA 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jrr s LEU 60 N -1.22 4.72 0.00 0.00 1.02 -1.26 -4.80 118.68 117.14 2jrr s LEU 60 Ca 0.05 -2.62 0.03 0.00 0.02 0.00 0.00 54.13 51.61 2jrr s LEU 60 Cb -0.01 -2.45 0.16 0.00 0.02 0.00 0.00 46.19 43.91 2jrr s LEU 60 CO 0.39 -0.93 1.06 -0.62 0.02 0.00 0.00 176.35 176.27 2jrr n GLU 61 N 6.55 0.01 -0.96 1.70 1.02 -1.26 -1.22 120.64 126.47 2jrr n GLU 61 Ca 0.37 0.39 -0.02 0.00 -0.02 0.00 0.00 57.16 57.88 2jrr n GLU 61 Cb 0.45 -1.50 0.33 0.00 -0.02 0.00 0.00 31.44 30.70 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 -1.44 2.28 -3.92 -0.32 1.44 -1.26 -4.37 115.22 107.62 2jrr n HIS 62 Ca 0.01 -1.06 -0.11 0.00 -2.01 0.00 0.00 57.72 54.55 2jrr n HIS 62 Cb 0.04 -0.62 -0.12 0.00 0.12 0.00 0.00 29.99 29.40 2jrr n HIS 62 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2jrr s HIS 63 N -2.93 0.12 0.00 -1.40 3.76 -0.36 -5.02 115.29 109.46 2jrr s HIS 63 Ca 0.55 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 55.20 2jrr s HIS 63 Cb 0.43 -0.09 0.00 0.00 1.11 0.00 0.00 32.58 34.03 2jrr s HIS 63 CO 0.14 -0.10 0.00 1.58 -0.85 0.00 0.00 174.74 175.50 2jrr n HIS 64 N 2.31 0.00 -3.64 1.40 -0.00 -1.26 -4.48 115.22 109.54 2jrr n HIS 64 Ca -0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.51 2jrr n HIS 64 Cb 0.57 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.50 2jrr n HIS 64 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jrr s HIS 65 N 0.00 -0.39 0.24 1.57 5.65 -1.26 -5.18 115.29 115.91 2jrr s HIS 65 Ca 0.00 0.84 0.07 0.00 0.25 0.00 0.00 55.06 56.22 2jrr s HIS 65 Cb 0.00 0.31 -0.04 0.00 -1.18 0.00 0.00 32.58 31.67 2jrr s HIS 65 CO 0.00 -0.19 0.14 -3.38 -0.65 0.00 0.00 174.74 170.65 2jrr s HIS 66 N 0.87 3.01 -2.00 3.88 -0.00 -1.26 -4.96 115.29 114.83 2jrr s HIS 66 Ca -0.04 -0.13 0.22 0.00 -0.00 0.00 0.00 55.06 55.11 2jrr s HIS 66 Cb -0.04 -1.37 1.32 0.00 -0.00 0.00 0.00 32.58 32.50 2jrr s HIS 66 CO -0.12 0.54 1.70 -2.39 -0.00 0.00 0.00 174.74 174.47