#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 3.89 -1.60 3.17 2.01 -1.26 -4.99 115.64 116.85 2jrr s THR 2 Ca 0.00 -1.66 0.00 0.00 0.31 0.00 0.00 61.69 60.34 2jrr s THR 2 Cb 0.00 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.43 2jrr s THR 2 CO 0.00 -0.34 0.40 0.00 -0.69 0.00 0.00 174.62 173.98 2jrr n ILE 3 N -0.95 0.00 -2.49 1.82 3.06 -1.26 -4.87 119.36 114.67 2jrr n ILE 3 Ca -0.07 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.16 2jrr n ILE 3 Cb 0.58 -0.25 -0.01 0.00 0.54 0.00 0.00 39.64 40.50 2jrr n ILE 3 CO 0.00 0.00 0.00 1.67 -2.50 0.00 0.00 176.55 175.72 2jrr n GLN 4 N -0.20 -3.23 -2.68 9.51 0.00 -1.26 -5.06 117.38 114.45 2jrr n GLN 4 Ca 0.00 2.61 -0.05 0.00 -0.00 0.00 0.00 57.00 59.56 2jrr n GLN 4 Cb 0.05 -4.63 0.10 0.00 0.00 0.00 0.00 30.24 25.75 2jrr n GLN 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jrr n ALA 5 N 0.83 -2.71 0.98 1.69 0.00 -1.26 -5.04 120.51 115.00 2jrr n ALA 5 Ca -0.10 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.70 2jrr n ALA 5 Cb 0.16 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 16.92 2jrr n ALA 5 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2jrr n PRO 6 N 0.77 0.98 -1.97 0.00 -0.02 -1.26 -4.74 135.00 128.76 2jrr n PRO 6 Ca -0.01 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.08 2jrr n PRO 6 Cb 0.73 -1.01 -0.03 0.00 -0.02 0.00 0.00 33.50 33.17 2jrr n PRO 6 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2jrr n GLU 7 N 0.51 2.36 -3.80 -0.52 1.02 -1.26 -4.93 120.64 114.02 2jrr n GLU 7 Ca 0.00 -2.63 -0.36 0.00 -0.02 0.00 0.00 57.16 54.15 2jrr n GLU 7 Cb 0.49 -3.40 -0.06 0.00 -0.02 0.00 0.00 31.44 28.46 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 5.97 5.38 -0.14 2.62 2.01 -1.26 -0.11 115.64 130.10 2jrr s THR 8 Ca 0.57 0.25 -0.02 0.00 0.31 0.00 0.00 61.69 62.81 2jrr s THR 8 Cb 0.07 -3.50 0.04 0.00 0.01 0.00 0.00 72.50 69.12 2jrr s THR 8 CO 0.07 0.52 0.01 -0.75 -0.69 0.00 0.00 174.62 173.77 2jrr s LYS 9 N -1.31 0.79 -0.54 4.92 2.47 0.12 -4.89 119.74 121.29 2jrr s LYS 9 Ca 0.21 -0.24 -0.23 0.00 -1.56 0.00 0.00 55.97 54.15 2jrr s LYS 9 Cb -0.13 -1.67 0.05 0.00 -1.46 0.00 0.00 37.83 34.62 2jrr s LYS 9 CO 0.10 -0.47 0.85 0.42 0.16 0.00 0.00 175.35 176.41 2jrr s ILE 10 N 1.86 4.52 0.03 5.43 1.01 -1.26 0.02 121.20 132.81 2jrr s ILE 10 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.69 2jrr s ILE 10 Cb -0.15 -4.48 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 2jrr s ILE 10 CO -0.07 -1.05 0.13 -0.69 0.00 0.00 0.00 174.94 173.27 2jrr s VAL 11 N 3.58 4.99 -1.81 2.92 1.01 -0.10 -4.88 120.40 126.11 2jrr s VAL 11 Ca 0.26 -0.44 0.27 0.00 0.00 0.00 0.00 61.98 62.07 2jrr s VAL 11 Cb -0.15 -3.36 0.33 0.00 0.00 0.00 0.00 36.38 33.20 2jrr s VAL 11 CO 0.17 0.24 1.64 0.47 0.00 0.00 0.00 175.10 177.61 2jrr n ASP 12 N 0.74 0.97 -4.17 3.32 9.92 -1.26 -0.20 116.55 125.88 2jrr n ASP 12 Ca -0.10 -0.90 -0.16 0.00 -0.53 0.00 0.00 54.79 53.10 2jrr n ASP 12 Cb 0.52 0.09 -0.11 0.00 -0.64 0.00 0.00 41.12 40.97 2jrr n ASP 12 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2jrr s LYS 13 N -2.45 0.82 0.00 -1.24 1.02 -1.26 -4.84 119.74 111.79 2jrr s LYS 13 Ca 0.26 -1.03 0.30 0.00 0.02 0.00 0.00 55.97 55.52 2jrr s LYS 13 Cb 0.20 -0.68 1.42 0.00 -0.52 0.00 0.00 37.83 38.25 2jrr s LYS 13 CO 0.49 0.13 2.01 0.43 -0.92 0.00 0.00 175.35 177.49 2jrr n SER 14 N 0.98 0.03 -4.55 2.83 7.64 -1.26 -4.72 113.62 114.57 2jrr n SER 14 Ca -0.19 -0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.27 2jrr n SER 14 Cb 0.56 -0.32 -0.08 0.00 -1.01 0.00 0.00 64.21 63.35 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 -2.68 3.56 -0.05 1.43 0.52 -1.26 -0.41 118.95 120.06 2jrr s ARG 15 Ca 0.25 -0.30 0.04 0.00 -0.52 0.00 0.00 55.73 55.20 2jrr s ARG 15 Cb 0.20 -3.82 -0.00 0.00 0.52 0.00 0.00 34.95 31.85 2jrr s ARG 15 CO 0.48 -0.62 -0.18 0.08 0.02 0.00 0.00 175.30 175.09 2jrr s VAL 16 N 2.24 1.49 -0.37 3.52 1.01 -0.72 -5.03 120.40 122.53 2jrr s VAL 16 Ca 0.16 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 2jrr s VAL 16 Cb -0.16 -1.28 0.03 0.00 0.00 0.00 0.00 36.38 34.97 2jrr s VAL 16 CO 0.13 0.43 0.21 0.00 0.00 0.00 0.00 175.10 175.86 2jrr s ALA 17 N 0.04 3.28 0.54 5.51 0.00 -1.26 -0.15 121.76 129.71 2jrr s ALA 17 Ca -0.04 -1.71 0.06 0.00 0.00 0.00 0.00 51.96 50.27 2jrr s ALA 17 Cb -0.12 -2.59 0.04 0.00 0.00 0.00 0.00 23.12 20.45 2jrr s ALA 17 CO 0.02 -1.38 0.47 0.00 0.00 0.00 0.00 175.76 174.88 2jrr n ASP 19 N -1.82 2.78 -3.30 0.00 8.00 -1.26 -0.16 116.55 120.79 2jrr n ASP 19 Ca 0.02 -3.29 0.03 0.00 0.71 0.00 0.00 54.79 52.26 2jrr n ASP 19 Cb 0.64 -0.63 -0.04 0.00 -0.02 0.00 0.00 41.12 41.07 2jrr n ASP 19 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2jrr s GLY 20 N -2.46 0.04 0.00 0.44 0.00 -1.26 -1.68 107.32 102.40 2jrr s GLY 20 Ca 0.41 3.35 0.00 0.00 0.00 0.00 0.00 44.72 48.48 2jrr s GLY 20 CO -0.07 3.31 0.00 0.61 0.00 0.00 0.00 173.10 176.94 2jrr n GLY 21 N 4.77 2.43 3.98 0.20 0.00 -0.40 -4.86 105.19 111.31 2jrr n GLY 21 Ca -0.08 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 2jrr n GLY 21 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jrr s GLU 22 N 0.00 2.68 0.10 1.61 2.02 -1.26 -4.08 118.70 119.77 2jrr s GLU 22 Ca 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.13 2jrr s GLU 22 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.66 2jrr s GLU 22 CO 0.00 -0.54 0.00 0.41 0.02 0.00 0.00 175.26 175.15 2jrr n GLY 23 N -2.18 0.60 1.00 -1.39 0.00 -1.26 0.11 105.19 102.07 2jrr n GLY 23 Ca 0.07 0.65 0.04 0.00 0.00 0.00 0.00 46.02 46.77 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 6.53 2.95 -0.41 4.61 0.00 -1.26 -4.89 120.51 128.03 2jrr n ALA 24 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.64 2jrr n ALA 24 Cb 0.00 -1.03 0.00 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 0.35 0.52 -3.89 0.00 -0.00 0.31 -4.87 117.00 109.42 2jrr n LEU 25 Ca 0.12 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.83 2jrr n LEU 25 Cb 0.57 -1.21 -0.15 0.00 -0.00 0.00 0.00 43.42 42.64 2jrr n LEU 25 CO 0.13 -0.41 -0.35 -0.83 -0.00 0.00 0.00 177.39 175.94 2jrr s GLY 26 N -1.04 1.46 -1.23 1.47 0.00 -1.26 -1.27 107.32 105.45 2jrr s GLY 26 Ca 0.00 -1.96 -0.02 0.00 0.00 0.00 0.00 44.72 42.74 2jrr s GLY 26 CO 0.00 1.21 0.83 1.42 0.00 0.00 0.00 173.10 176.56 2jrr n HIS 27 N 4.58 -2.07 -0.53 1.90 8.25 -0.68 -4.93 115.22 121.74 2jrr n HIS 27 Ca -0.02 0.84 0.09 0.00 -0.26 0.00 0.00 57.72 58.38 2jrr n HIS 27 Cb 0.42 -4.49 0.31 0.00 1.12 0.00 0.00 29.99 27.35 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 -4.08 3.33 -2.49 -0.41 -0.04 -1.26 -4.93 135.00 125.12 2jrr n PRO 28 Ca -0.25 -2.72 -0.02 0.00 -0.04 0.00 0.00 63.50 60.47 2jrr n PRO 28 Cb 0.66 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 2jrr n PRO 28 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2jrr n ARG 29 N 1.04 -2.51 -4.17 0.54 0.00 -1.26 -4.97 116.66 105.32 2jrr n ARG 29 Ca 0.23 2.16 -0.27 0.00 -0.00 0.00 0.00 57.85 59.97 2jrr n ARG 29 Cb 0.76 -4.58 -0.07 0.00 0.00 0.00 0.00 32.46 28.57 2jrr n ARG 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2jrr s VAL 30 N -1.59 3.89 -0.20 5.15 -7.23 0.77 -4.97 120.40 116.22 2jrr s VAL 30 Ca 0.06 -1.32 0.01 0.00 -1.81 0.00 0.00 61.98 58.92 2jrr s VAL 30 Cb -0.02 -2.95 0.04 0.00 0.56 0.00 0.00 36.38 34.01 2jrr s VAL 30 CO 0.62 -0.09 -0.11 0.26 -0.31 0.00 0.00 175.10 175.48 2jrr s TRP 31 N -1.69 2.43 0.38 2.82 0.52 -1.26 0.36 118.94 122.50 2jrr s TRP 31 Ca 0.28 -1.59 0.08 0.00 0.02 0.00 0.00 56.10 54.88 2jrr s TRP 31 Cb -0.10 -1.65 -0.02 0.00 -1.15 0.00 0.00 33.47 30.56 2jrr s TRP 31 CO 0.19 -0.74 0.37 -0.51 0.02 0.00 0.00 176.95 176.28 2jrr s LEU 32 N 1.39 3.54 -0.18 2.99 1.02 0.78 -4.98 118.68 123.26 2jrr s LEU 32 Ca -0.01 -0.57 -0.01 0.00 0.02 0.00 0.00 54.13 53.56 2jrr s LEU 32 Cb -0.16 -2.23 0.05 0.00 0.02 0.00 0.00 46.19 43.87 2jrr s LEU 32 CO -0.08 -0.52 -0.03 -1.58 0.02 0.00 0.00 176.35 174.16 2jrr s GLN 33 N -4.10 1.23 0.00 1.70 2.00 -1.26 -1.75 119.66 117.47 2jrr s GLN 33 Ca 0.45 -0.53 -0.30 0.00 -2.00 0.00 0.00 55.36 52.99 2jrr s GLN 33 Cb -0.05 -2.05 -0.08 0.00 0.80 0.00 0.00 33.01 31.63 2jrr s GLN 33 CO 0.28 -0.50 1.83 0.42 -0.50 0.00 0.00 175.29 176.82 2jrr s ILE 34 N 1.67 3.24 -0.38 -2.34 1.01 0.46 -4.95 121.20 119.90 2jrr s ILE 34 Ca -0.00 0.31 -0.29 0.00 0.00 0.00 0.00 60.65 60.67 2jrr s ILE 34 Cb -0.16 -3.20 0.02 0.00 0.01 0.00 0.00 42.46 39.13 2jrr s ILE 34 CO -0.07 -0.03 1.11 -2.16 0.00 0.00 0.00 174.94 173.79 2jrr s PRO 35 N 4.24 3.92 0.33 2.79 0.04 -1.26 -4.89 135.00 140.16 2jrr s PRO 35 Ca 0.82 0.87 0.23 0.00 0.04 0.00 0.00 61.00 62.96 2jrr s PRO 35 Cb -0.39 -3.81 1.21 0.00 0.04 0.00 0.00 34.50 31.54 2jrr s PRO 35 CO 0.36 -1.11 1.69 -1.91 0.04 0.00 0.00 177.00 176.08 2jrr n GLU 36 N 7.29 0.15 0.18 4.56 2.13 -1.26 -0.29 120.64 133.40 2jrr n GLU 36 Ca 0.12 0.63 0.02 0.00 0.66 0.00 0.00 57.16 58.59 2jrr n GLU 36 Cb 0.48 -1.97 0.33 0.00 0.27 0.00 0.00 31.44 30.54 2jrr n GLU 36 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2jrr h ASP 37 N 0.00 0.00 0.00 4.31 5.19 -1.99 -3.36 116.42 120.57 2jrr h ASP 37 Ca 0.00 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.20 2jrr h ASP 37 Cb 0.03 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.51 2jrr h ASP 37 CO 0.00 0.42 -1.61 0.35 -3.12 0.00 0.00 179.24 175.28 2jrr n THR 38 N -3.97 1.36 0.00 0.35 -2.24 0.19 -5.05 114.28 104.93 2jrr n THR 38 Ca -0.02 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2jrr n THR 38 Cb 0.46 -2.01 0.00 0.00 -2.10 0.00 0.00 70.33 66.68 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 1.66 0.83 3.56 3.38 0.00 0.61 -4.56 105.19 110.66 2jrr n GLY 39 Ca -0.30 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.31 -0.19 1.61 1.48 -1.26 -0.86 118.94 117.41 2jrr s TRP 40 Ca 0.00 0.12 -0.13 0.00 -1.06 0.00 0.00 56.10 55.03 2jrr s TRP 40 Cb 0.00 0.57 0.06 0.00 -1.16 0.00 0.00 33.47 32.93 2jrr s TRP 40 CO 0.00 -0.64 0.49 0.54 -4.06 0.00 0.00 176.95 173.28 2jrr s VAL 41 N -3.21 -0.01 0.08 -0.66 0.11 -0.49 -4.56 120.40 111.65 2jrr s VAL 41 Ca 0.06 0.04 0.05 0.00 -2.93 0.00 0.00 61.98 59.21 2jrr s VAL 41 Cb -0.01 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 2jrr s VAL 41 CO -0.07 0.02 -0.06 -1.83 -3.33 0.00 0.00 175.10 169.84 2jrr s GLU 42 N 1.04 2.37 -0.51 1.54 1.03 -1.26 -0.47 118.70 122.43 2jrr s GLU 42 Ca -0.06 -0.90 -0.26 0.00 0.03 0.00 0.00 54.97 53.79 2jrr s GLU 42 Cb -0.06 -2.43 0.03 0.00 -0.80 0.00 0.00 34.13 30.87 2jrr s GLU 42 CO -0.09 0.54 0.98 0.00 -1.33 0.00 0.00 175.26 175.35 2jrr n PRO 44 N 7.47 0.02 0.00 0.00 -0.04 -1.26 -4.08 135.00 137.10 2jrr n PRO 44 Ca 0.05 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 2jrr n PRO 44 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.47 0.00 -3.08 0.54 4.02 -1.26 -5.00 117.16 110.91 2jrr n TYR 45 Ca 0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.79 2jrr n TYR 45 Cb 0.08 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.37 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 3.26 0.00 0.00 0.00 -0.08 -1.26 -4.80 116.55 113.67 2jrr n ASP 47 Ca 0.20 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 2jrr n ASP 47 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 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 -1.39 3.64 -0.44 0.00 2.20 0.85 -1.51 119.74 123.09 2jrr s LYS 49 Ca 0.00 -0.49 -0.16 0.00 -0.36 0.00 0.00 55.97 54.96 2jrr s LYS 49 Cb 0.00 -3.30 0.04 0.00 -1.51 0.00 0.00 37.83 33.06 2jrr s LYS 49 CO 0.00 -0.18 0.39 0.71 -0.36 0.00 0.00 175.35 175.91 2jrr s TYR 50 N 1.57 3.21 -0.08 4.03 1.51 0.38 0.15 117.35 128.12 2jrr s TYR 50 Ca 0.06 -0.63 -0.15 0.00 -1.01 0.00 0.00 57.07 55.34 2jrr s TYR 50 Cb -0.15 -2.91 -0.05 0.00 -0.11 0.00 0.00 41.96 38.74 2jrr s TYR 50 CO 0.03 -0.71 0.39 0.08 -1.11 0.00 0.00 175.55 174.23 2jrr s VAL 51 N 1.86 5.16 -0.20 0.71 1.01 0.10 -1.40 120.40 127.64 2jrr s VAL 51 Ca 0.07 0.78 -0.29 0.00 0.00 0.00 0.00 61.98 62.55 2jrr s VAL 51 Cb -0.20 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2jrr s VAL 51 CO 0.10 0.45 1.07 -0.22 0.00 0.00 0.00 175.10 176.51 2jrr s LEU 52 N -0.16 4.13 -0.24 3.92 2.96 -0.04 -0.93 118.68 128.33 2jrr s LEU 52 Ca 0.22 1.45 -0.29 0.00 -0.22 0.00 0.00 54.13 55.30 2jrr s LEU 52 Cb -0.15 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.00 2jrr s LEU 52 CO 0.10 -0.66 1.18 -0.75 -1.32 0.00 0.00 176.35 174.90 2jrr s LYS 53 N 3.10 4.13 0.00 1.98 2.20 0.72 -3.67 119.74 128.20 2jrr s LYS 53 Ca 0.46 1.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.46 2jrr s LYS 53 Cb -0.17 -3.76 0.00 0.00 -1.51 0.00 0.00 37.83 32.40 2jrr s LYS 53 CO 0.09 -0.82 0.00 0.41 -0.36 0.00 0.00 175.35 174.67 2jrr n GLY 54 N 3.75 0.71 0.00 5.54 0.00 -1.26 -4.81 105.19 109.13 2jrr n GLY 54 Ca 0.13 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.74 0.00 -1.85 1.61 2.88 -1.24 -5.06 113.62 109.22 2jrr n SER 55 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 2jrr n SER 55 Cb 0.29 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 64.08 2jrr n SER 55 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2jrr n LYS 56 N 0.00 3.98 0.00 -1.46 2.85 -1.26 -4.44 118.16 117.83 2jrr n LYS 56 Ca 0.00 -3.10 0.00 0.00 -1.05 0.00 0.00 58.31 54.16 2jrr n LYS 56 Cb 0.00 -2.19 0.00 0.00 -0.65 0.00 0.00 35.03 32.19 2jrr n LYS 56 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2jrr n ALA 57 N 0.02 1.68 -1.36 0.58 0.00 -1.26 -4.88 120.51 115.28 2jrr n ALA 57 Ca 0.35 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.38 2jrr n ALA 57 Cb 1.28 0.17 -0.03 0.00 0.00 0.00 0.00 19.45 20.88 2jrr n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2jrr n ASP 58 N -1.53 3.59 -2.17 0.00 5.75 -1.26 -4.65 116.55 116.28 2jrr n ASP 58 Ca 0.00 -2.71 -0.22 0.00 -0.01 0.00 0.00 54.79 51.85 2jrr n ASP 58 Cb 0.26 -1.36 0.18 0.00 -1.03 0.00 0.00 41.12 39.17 2jrr n ASP 58 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jrr n ALA 59 N 6.46 5.43 -2.39 2.12 0.00 -1.26 -4.89 120.51 125.98 2jrr n ALA 59 Ca 0.52 -2.75 -0.38 0.00 0.00 0.00 0.00 53.44 50.83 2jrr n ALA 59 Cb 0.37 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 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 -3.14 3.55 -0.88 0.00 1.02 -1.26 -4.91 118.68 113.05 2jrr s LEU 60 Ca 0.54 -2.17 -0.22 0.00 0.02 0.00 0.00 54.13 52.31 2jrr s LEU 60 Cb 0.46 -2.58 0.08 0.00 0.02 0.00 0.00 46.19 44.16 2jrr s LEU 60 CO 0.11 -1.87 1.23 -1.61 0.02 0.00 0.00 176.35 174.23 2jrr s GLU 61 N 5.04 3.45 -0.31 1.70 2.02 -1.26 -4.93 118.70 124.41 2jrr s GLU 61 Ca 0.59 -1.15 -0.03 0.00 0.02 0.00 0.00 54.97 54.40 2jrr s GLU 61 Cb 0.02 -4.83 0.11 0.00 0.10 0.00 0.00 34.13 29.53 2jrr s GLU 61 CO 0.10 -1.98 0.15 -1.01 0.02 0.00 0.00 175.26 172.53 2jrr s HIS 62 N 4.17 0.54 -1.06 1.61 3.76 -1.26 -5.06 115.29 117.98 2jrr s HIS 62 Ca 0.36 -1.13 -0.23 0.00 -0.15 0.00 0.00 55.06 53.90 2jrr s HIS 62 Cb -0.06 -0.98 -0.06 0.00 1.11 0.00 0.00 32.58 32.59 2jrr s HIS 62 CO -0.02 -0.83 1.91 -1.58 -0.85 0.00 0.00 174.74 173.36 2jrr s HIS 63 N 1.81 1.95 0.58 1.40 2.46 -1.26 -4.94 115.29 117.29 2jrr s HIS 63 Ca 0.11 0.39 -0.18 0.00 0.47 0.00 0.00 55.06 55.85 2jrr s HIS 63 Cb -0.18 -4.08 -0.04 0.00 -0.13 0.00 0.00 32.58 28.15 2jrr s HIS 63 CO -0.27 -1.49 1.12 -1.58 -2.47 0.00 0.00 174.74 170.05 2jrr s HIS 64 N 10.09 2.65 -0.65 3.88 2.46 -0.53 -4.85 115.29 128.35 2jrr s HIS 64 Ca 0.68 1.55 -0.25 0.00 0.47 0.00 0.00 55.06 57.50 2jrr s HIS 64 Cb -0.03 -3.25 -0.22 0.00 -0.13 0.00 0.00 32.58 28.95 2jrr s HIS 64 CO 0.06 -1.61 1.85 1.58 -2.47 0.00 0.00 174.74 174.15 2jrr n HIS 65 N -1.65 1.41 0.00 3.88 -0.00 -1.26 -0.59 115.22 117.01 2jrr n HIS 65 Ca 0.11 -1.25 0.00 0.00 0.46 0.00 0.00 57.72 57.04 2jrr n HIS 65 Cb 0.51 -1.66 0.00 0.00 -0.12 0.00 0.00 29.99 28.72 2jrr n HIS 65 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jrr n HIS 66 N 10.08 0.00 -0.74 1.57 -0.00 -1.26 -5.36 115.22 119.51 2jrr n HIS 66 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.19 2jrr n HIS 66 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.41 2jrr n HIS 66 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92