#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jns h LYS 2 N 0.00 1.32 -3.91 0.00 3.64 -1.95 -3.42 116.57 112.25 1jns h LYS 2 Ca 0.00 -0.08 -0.16 0.00 -1.27 0.00 0.00 60.65 59.14 1jns h LYS 2 Cb 0.00 -0.30 -0.20 0.00 -0.41 0.00 0.00 32.23 31.32 1jns h LYS 2 CO 0.00 0.88 -0.65 0.95 -2.27 0.00 0.00 179.45 178.35 1jns s THR 3 N -6.12 0.11 0.11 1.00 -4.23 -1.26 -3.62 115.64 101.64 1jns s THR 3 Ca -0.13 -0.95 0.04 0.00 -1.18 0.00 0.00 61.69 59.47 1jns s THR 3 Cb 0.18 -0.41 -0.04 0.00 1.34 0.00 0.00 72.50 73.57 1jns s THR 3 CO 0.82 -0.52 -0.10 0.00 -0.54 0.00 0.00 174.62 174.28 1jns s ALA 4 N -1.68 1.22 -0.19 3.99 0.00 0.13 -0.22 121.76 125.02 1jns s ALA 4 Ca -0.14 -1.28 -0.18 0.00 0.00 0.00 0.00 51.96 50.36 1jns s ALA 4 Cb -0.08 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1jns s ALA 4 CO -0.01 -0.05 0.50 0.00 0.00 0.00 0.00 175.76 176.19 1jns s ALA 5 N -2.70 3.53 -0.03 0.00 0.00 -0.73 -1.69 121.76 120.15 1jns s ALA 5 Ca 0.09 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.67 1jns s ALA 5 Cb -0.01 -2.76 0.03 0.00 0.00 0.00 0.00 23.12 20.37 1jns s ALA 5 CO 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 175.76 175.41 1jns s ALA 6 N 1.42 0.38 -0.09 0.00 0.00 -0.93 -1.06 121.76 121.47 1jns s ALA 6 Ca 0.24 0.12 -0.04 0.00 0.00 0.00 0.00 51.96 52.28 1jns s ALA 6 Cb -0.15 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1jns s ALA 6 CO 0.09 -0.05 0.07 -0.51 0.00 0.00 0.00 175.76 175.37 1jns s LEU 7 N 0.95 3.99 0.04 0.00 1.43 -0.83 -3.86 118.68 120.40 1jns s LEU 7 Ca -0.10 0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 1jns s LEU 7 Cb -0.13 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 1jns s LEU 7 CO -0.01 0.38 -0.09 -1.00 0.23 0.00 0.00 176.35 175.85 1jns s HIS 8 N -0.99 0.81 -0.03 0.29 3.76 0.81 -1.69 115.29 118.24 1jns s HIS 8 Ca 0.15 -0.43 0.01 0.00 -0.15 0.00 0.00 55.06 54.64 1jns s HIS 8 Cb -0.12 -0.48 0.02 0.00 1.11 0.00 0.00 32.58 33.12 1jns s HIS 8 CO 0.05 -0.04 -0.02 0.42 -0.85 0.00 0.00 174.74 174.30 1jns s ILE 9 N -1.17 0.33 -0.25 0.60 1.01 -0.88 -3.33 121.20 117.51 1jns s ILE 9 Ca -0.06 -0.02 -0.11 0.00 0.00 0.00 0.00 60.65 60.45 1jns s ILE 9 Cb -0.09 -0.39 -0.05 0.00 0.01 0.00 0.00 42.46 41.95 1jns s ILE 9 CO 0.01 0.17 0.20 -0.22 0.00 0.00 0.00 174.94 175.10 1jns s LEU 10 N 0.85 4.09 -0.12 2.97 0.20 -1.26 -2.04 118.68 123.38 1jns s LEU 10 Ca -0.10 0.13 0.01 0.00 0.69 0.00 0.00 54.13 54.86 1jns s LEU 10 Cb -0.13 -2.16 -0.01 0.00 -0.43 0.00 0.00 46.19 43.46 1jns s LEU 10 CO -0.01 0.01 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.21 1jns s VAL 11 N 1.29 2.75 0.15 1.68 1.01 -0.47 -4.74 120.40 122.08 1jns s VAL 11 Ca 0.09 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 1jns s VAL 11 Cb -0.14 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1jns s VAL 11 CO 0.07 0.53 1.50 0.11 0.00 0.00 0.00 175.10 177.31 1jns h LYS 12 N 6.73 0.97 -6.31 2.72 1.79 -1.91 -0.77 116.57 119.79 1jns h LYS 12 Ca -0.24 -0.48 -0.69 0.00 -2.18 0.00 0.00 60.65 57.06 1jns h LYS 12 Cb 1.22 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.63 1jns h LYS 12 CO 0.53 1.14 -0.79 -1.21 -1.08 0.00 0.00 179.45 178.05 1jns s GLU 13 N -4.49 2.49 0.21 3.15 2.02 -1.26 -4.66 118.70 116.16 1jns s GLU 13 Ca -0.11 -0.73 -0.10 0.00 0.02 0.00 0.00 54.97 54.05 1jns s GLU 13 Cb 0.11 -2.34 0.16 0.00 0.10 0.00 0.00 34.13 32.16 1jns s GLU 13 CO 0.88 0.59 1.88 1.49 0.02 0.00 0.00 175.26 180.13 1jns h GLU 14 N 5.43 1.01 -0.77 1.61 4.81 -1.99 -1.11 114.58 123.57 1jns h GLU 14 Ca -0.45 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 58.79 1jns h GLU 14 Cb 1.15 -0.23 -0.06 0.00 0.63 0.00 0.00 28.75 30.24 1jns h GLU 14 CO 0.50 0.67 0.45 -0.22 -0.73 0.00 0.00 179.01 179.68 1jns h LYS 15 N 1.04 0.79 -0.38 1.92 3.64 -1.98 0.69 116.57 122.30 1jns h LYS 15 Ca 0.28 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.51 1jns h LYS 15 Cb -0.12 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.52 1jns h LYS 15 CO -0.06 0.53 -0.15 1.25 -2.27 0.00 0.00 179.45 178.74 1jns h LEU 16 N 0.82 0.79 -0.35 5.20 6.46 -1.83 0.56 115.31 126.96 1jns h LEU 16 Ca 0.34 -0.39 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1jns h LEU 16 Cb 0.21 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.90 1jns h LEU 16 CO -0.19 1.01 0.23 0.00 -0.62 0.00 0.00 178.44 178.87 1jns h ALA 17 N 0.81 0.45 -1.00 1.25 0.00 -0.46 0.46 119.26 120.76 1jns h ALA 17 Ca 0.09 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1jns h ALA 17 Cb 0.69 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1jns h ALA 17 CO 0.05 -0.09 0.66 -0.07 0.00 0.00 0.00 179.25 179.80 1jns h LEU 18 N 0.48 1.16 -0.95 0.00 3.38 0.63 0.80 115.31 120.81 1jns h LEU 18 Ca 0.13 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1jns h LEU 18 Cb -0.05 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.36 1jns h LEU 18 CO -0.03 0.84 0.63 -0.78 0.09 0.00 0.00 178.44 179.19 1jns h ASP 19 N 1.36 1.09 -0.79 -0.43 1.82 0.13 0.15 116.42 119.75 1jns h ASP 19 Ca 0.37 -0.03 -0.05 0.00 -0.39 0.00 0.00 57.03 56.93 1jns h ASP 19 Cb -0.15 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 39.55 1jns h ASP 19 CO -0.08 0.79 0.31 0.25 -1.61 0.00 0.00 179.24 178.90 1jns h LEU 20 N 1.28 1.10 -0.74 2.28 5.85 0.20 -1.47 115.31 123.81 1jns h LEU 20 Ca 0.35 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.91 1jns h LEU 20 Cb -0.15 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 40.56 1jns h LEU 20 CO -0.08 0.97 0.48 -0.07 -0.34 0.00 0.00 178.44 179.41 1jns h LEU 21 N 1.16 0.81 -0.99 2.25 4.07 0.29 -0.11 115.31 122.79 1jns h LEU 21 Ca 0.26 -0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.22 1jns h LEU 21 Cb 0.22 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 41.73 1jns h LEU 21 CO -0.02 0.57 0.64 -0.08 -1.08 0.00 0.00 178.44 178.47 1jns h GLU 22 N 0.95 1.31 -0.87 1.13 4.81 -0.31 -2.66 114.58 118.95 1jns h GLU 22 Ca 0.28 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1jns h GLU 22 Cb -0.05 -0.29 -0.04 0.00 0.63 0.00 0.00 28.75 29.00 1jns h GLU 22 CO -0.09 0.88 0.46 1.96 -0.73 0.00 0.00 179.01 181.49 1jns h GLN 23 N 1.35 1.22 -0.61 1.92 4.20 -0.01 -0.91 115.11 122.27 1jns h GLN 23 Ca 0.36 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.82 1jns h GLN 23 Cb -0.13 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.40 1jns h GLN 23 CO -0.07 0.91 -0.00 0.82 -0.67 0.00 0.00 178.83 179.81 1jns h ILE 24 N 1.22 1.27 0.30 2.54 2.04 -0.96 0.99 117.51 124.90 1jns h ILE 24 Ca 0.30 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 1jns h ILE 24 Cb 0.06 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1jns h ILE 24 CO -0.05 0.42 -0.15 0.11 0.00 0.00 0.00 178.15 178.49 1jns h LYS 25 N 0.99 -0.39 -0.64 2.37 1.57 -1.25 2.17 116.57 121.38 1jns h LYS 25 Ca 0.17 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1jns h LYS 25 Cb 0.57 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 1jns h LYS 25 CO 0.03 -0.14 0.40 -0.91 -0.57 0.00 0.00 179.45 178.27 1jns h ASN 26 N -0.61 0.75 0.00 0.86 4.21 -1.05 -3.38 115.58 116.36 1jns h ASN 26 Ca -0.04 -0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.42 1jns h ASN 26 Cb 0.44 -0.19 -0.00 0.00 -1.12 0.00 0.00 38.32 37.45 1jns h ASN 26 CO 0.07 0.57 -0.71 0.61 -1.29 0.00 0.00 177.43 176.68 1jns n GLY 27 N -1.21 -0.38 1.26 2.83 0.00 0.34 -5.08 105.19 102.95 1jns n GLY 27 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1jns n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jns n ALA 28 N -4.15 -2.52 -2.67 4.61 0.00 0.73 -4.97 120.51 111.56 1jns n ALA 28 Ca -0.10 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 1jns n ALA 28 Cb 0.36 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.85 1jns n ALA 28 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jns n ASP 29 N -0.00 -1.37 -0.35 0.00 8.00 -1.26 -5.03 116.55 116.53 1jns n ASP 29 Ca 0.00 -0.98 -0.03 0.00 0.71 0.00 0.00 54.79 54.49 1jns n ASP 29 Cb 0.00 0.70 0.10 0.00 -0.02 0.00 0.00 41.12 41.89 1jns n ASP 29 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1jns h PHE 30 N 4.03 1.20 0.13 1.24 0.04 -1.98 -2.20 116.94 119.39 1jns h PHE 30 Ca -0.04 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1jns h PHE 30 Cb 1.17 -0.40 0.00 0.00 2.20 0.00 0.00 35.95 38.92 1jns h PHE 30 CO -0.09 0.76 -0.06 0.78 -0.60 0.00 0.00 178.31 179.10 1jns h GLY 31 N 1.29 -0.18 1.09 -1.45 0.00 -1.96 -1.05 103.07 100.81 1jns h GLY 31 Ca 0.35 0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.64 1jns h GLY 31 CO -0.07 -0.06 -0.00 0.50 0.00 0.00 0.00 176.54 176.90 1jns h LYS 32 N -0.30 1.09 -0.63 4.80 1.57 -1.93 -2.68 116.57 118.49 1jns h LYS 32 Ca -0.02 -0.35 -0.09 0.00 -1.87 0.00 0.00 60.65 58.32 1jns h LYS 32 Cb 0.24 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1jns h LYS 32 CO 0.03 1.06 0.03 -0.07 -0.57 0.00 0.00 179.45 179.92 1jns h LEU 33 N 0.99 1.07 -0.03 2.94 3.38 -1.36 -2.48 115.31 119.82 1jns h LEU 33 Ca 0.17 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1jns h LEU 33 Cb 0.57 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1jns h LEU 33 CO 0.03 1.10 -0.01 0.00 0.09 0.00 0.00 178.44 179.65 1jns h ALA 34 N 1.01 0.01 -0.18 1.53 0.00 -1.00 -2.12 119.26 118.52 1jns h ALA 34 Ca 0.18 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1jns h ALA 34 Cb 0.53 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1jns h ALA 34 CO 0.03 -0.50 0.12 -0.22 0.00 0.00 0.00 179.25 178.67 1jns h LYS 35 N -0.01 0.23 -0.05 0.00 3.64 -1.40 -0.83 116.57 118.16 1jns h LYS 35 Ca 0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jns h LYS 35 Cb 0.03 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1jns h LYS 35 CO -0.03 0.15 0.03 -0.22 -2.27 0.00 0.00 179.45 177.11 1jns h LYS 36 N 0.24 0.06 0.22 1.90 3.64 -1.27 -3.23 116.57 118.13 1jns h LYS 36 Ca 0.06 -0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.11 1jns h LYS 36 Cb -0.03 -0.01 0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1jns h LYS 36 CO -0.01 0.04 -1.51 0.45 -2.27 0.00 0.00 179.45 176.15 1jns h HIS 37 N 0.06 0.86 -0.00 1.91 3.86 -1.35 -3.38 115.15 117.11 1jns h HIS 37 Ca 0.02 -0.63 0.00 0.00 -1.16 0.00 0.00 60.37 58.60 1jns h HIS 37 Cb -0.00 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 1jns h HIS 37 CO -0.08 1.58 0.00 1.03 0.86 0.00 0.00 177.93 181.33 1jns h SER 38 N 0.07 0.00 -6.32 2.45 0.87 -1.23 -3.45 113.55 105.95 1jns h SER 38 Ca -0.28 -0.00 -0.42 0.00 -1.23 0.00 0.00 61.79 59.86 1jns h SER 38 Cb 2.09 -0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 63.90 1jns h SER 38 CO 0.23 0.00 -0.64 -0.38 -0.53 0.00 0.00 176.83 175.51 1jns n ILE 39 N -5.09 -0.58 -4.26 2.23 5.41 -1.22 -4.86 119.36 111.00 1jns n ILE 39 Ca -0.07 -0.29 -0.17 0.00 1.00 0.00 0.00 62.75 63.22 1jns n ILE 39 Cb 0.03 -0.62 -0.09 0.00 -0.71 0.00 0.00 39.64 38.25 1jns n ILE 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jns n PRO 41 N -0.50 1.41 0.00 0.00 -0.02 -1.26 -2.53 135.00 132.10 1jns n PRO 41 Ca 0.06 -1.54 0.00 0.00 -2.02 0.00 0.00 63.50 60.00 1jns n PRO 41 Cb 0.64 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1jns n PRO 41 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1jns n SER 42 N 6.46 0.00 -0.41 2.55 3.41 -1.26 -4.98 113.62 119.40 1jns n SER 42 Ca 0.44 0.00 0.35 0.00 -0.26 0.00 0.00 58.87 59.39 1jns n SER 42 Cb 0.29 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 64.86 1jns n SER 42 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1jns h GLY 43 N 0.00 1.62 1.01 5.00 0.00 -1.82 3.53 103.07 112.41 1jns h GLY 43 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1jns h GLY 43 CO 0.00 -0.51 0.64 0.50 0.00 0.00 0.00 176.54 177.17 1jns h LYS 44 N 0.09 1.32 0.00 4.80 1.79 -1.92 -2.69 116.57 119.96 1jns h LYS 44 Ca 0.82 -0.09 -0.37 0.00 -2.18 0.00 0.00 60.65 58.83 1jns h LYS 44 Cb 2.42 -0.29 -0.06 0.00 -1.58 0.00 0.00 32.23 32.72 1jns h LYS 44 CO -0.52 0.89 -2.32 -2.13 -1.08 0.00 0.00 179.45 174.28 1jns n ARG 45 N -4.37 0.56 -0.18 3.15 3.00 0.87 -4.45 116.66 115.23 1jns n ARG 45 Ca 0.12 0.16 0.12 0.00 -0.00 0.00 0.00 57.85 58.25 1jns n ARG 45 Cb 0.03 -1.43 0.44 0.00 0.00 0.00 0.00 32.46 31.50 1jns n ARG 45 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1jns h GLY 46 N 0.91 0.87 1.60 5.14 0.00 0.52 1.38 103.07 113.48 1jns h GLY 46 Ca -0.55 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1jns h GLY 46 CO -0.18 0.11 0.00 0.61 0.00 0.00 0.00 176.54 177.08 1jns n GLY 47 N -1.48 -0.70 2.70 4.60 0.00 -1.01 -0.13 105.19 109.16 1jns n GLY 47 Ca 0.14 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 1jns n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jns n ASP 48 N -1.30 -1.82 0.19 1.61 -0.08 0.41 -4.63 116.55 110.93 1jns n ASP 48 Ca 0.06 -2.53 0.05 0.00 -1.51 0.00 0.00 54.79 50.85 1jns n ASP 48 Cb 0.10 1.34 0.36 0.00 2.34 0.00 0.00 41.12 45.26 1jns n ASP 48 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1jns h LEU 49 N 2.98 0.00 0.00 -2.67 3.38 0.25 -3.45 115.31 115.80 1jns h LEU 49 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1jns h LEU 49 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1jns h LEU 49 CO 0.04 0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.56 1jns n GLY 50 N -0.07 0.69 3.47 0.83 0.00 -1.26 -4.92 105.19 103.93 1jns n GLY 50 Ca -0.01 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 43.97 1jns n GLY 50 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jns s GLU 51 N 0.00 3.25 0.17 1.61 2.12 -1.26 -2.19 118.70 122.39 1jns s GLU 51 Ca 0.00 -0.61 -0.07 0.00 0.36 0.00 0.00 54.97 54.66 1jns s GLU 51 Cb 0.00 -2.68 -0.02 0.00 0.26 0.00 0.00 34.13 31.69 1jns s GLU 51 CO 0.00 0.36 0.24 -0.59 -0.54 0.00 0.00 175.26 174.73 1jns s PHE 52 N -0.01 0.59 0.42 5.30 -0.12 -0.68 -4.87 117.98 118.61 1jns s PHE 52 Ca -0.02 -0.93 -0.25 0.00 -0.05 0.00 0.00 56.93 55.68 1jns s PHE 52 Cb -0.14 -0.18 -0.08 0.00 -0.63 0.00 0.00 43.02 41.99 1jns s PHE 52 CO 0.03 -0.70 1.21 1.03 -0.05 0.00 0.00 175.22 176.74 1jns s ARG 53 N -4.01 3.93 -0.27 1.99 0.52 -1.26 -0.69 118.95 119.16 1jns s ARG 53 Ca 0.22 1.92 -0.12 0.00 -0.52 0.00 0.00 55.73 57.22 1jns s ARG 53 Cb 0.04 -2.62 -0.13 0.00 0.52 0.00 0.00 34.95 32.76 1jns s ARG 53 CO 0.03 -0.45 1.49 0.00 0.02 0.00 0.00 175.30 176.38 1jns n GLN 54 N -0.08 0.58 0.00 3.54 10.64 -1.24 -3.46 117.38 127.36 1jns n GLN 54 Ca 0.05 -0.99 0.00 0.00 -1.83 0.00 0.00 57.00 54.23 1jns n GLN 54 Cb 0.46 -2.34 0.00 0.00 -0.86 0.00 0.00 30.24 27.50 1jns n GLN 54 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1jns n GLY 55 N 4.30 -1.80 0.94 2.61 0.00 -1.26 -4.80 105.19 105.17 1jns n GLY 55 Ca 0.27 0.69 -0.01 0.00 0.00 0.00 0.00 46.02 46.97 1jns n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jns n GLN 56 N 0.00 0.04 -0.11 1.61 1.13 -1.22 -4.95 117.38 113.87 1jns n GLN 56 Ca 0.00 0.02 -0.22 0.00 -1.94 0.00 0.00 57.00 54.85 1jns n GLN 56 Cb 0.00 -0.46 -0.10 0.00 0.11 0.00 0.00 30.24 29.79 1jns n GLN 56 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 1jns n MET 57 N -3.33 0.56 -3.77 -1.09 1.56 -1.26 -4.99 117.12 104.79 1jns n MET 57 Ca -0.01 0.45 -0.13 0.00 -0.27 0.00 0.00 57.70 57.73 1jns n MET 57 Cb 0.04 -1.64 -0.14 0.00 2.15 0.00 0.00 33.22 33.63 1jns n MET 57 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1jns s VAL 58 N -2.43 -0.04 0.09 1.12 0.11 -1.26 -5.04 120.40 112.95 1jns s VAL 58 Ca -0.31 0.13 -0.21 0.00 -2.93 0.00 0.00 61.98 58.66 1jns s VAL 58 Cb 0.09 -0.21 -0.11 0.00 -1.53 0.00 0.00 36.38 34.61 1jns s VAL 58 CO 0.52 0.05 1.68 1.55 -3.33 0.00 0.00 175.10 175.57 1jns h PRO 59 N 6.89 0.18 -1.65 1.54 0.13 -1.96 -2.67 132.00 134.46 1jns h PRO 59 Ca -0.38 -0.02 0.52 0.00 -0.87 0.00 0.00 66.00 65.25 1jns h PRO 59 Cb 1.16 -0.03 -0.11 0.00 0.13 0.00 0.00 31.00 32.14 1jns h PRO 59 CO 0.43 0.22 1.13 0.00 -0.23 0.00 0.00 178.00 179.55 1jns n ALA 60 N -2.18 1.61 -0.21 -0.56 0.00 -1.26 0.85 120.51 118.76 1jns n ALA 60 Ca -0.05 0.77 -0.06 0.00 0.00 0.00 0.00 53.44 54.10 1jns n ALA 60 Cb 0.08 -1.10 0.04 0.00 0.00 0.00 0.00 19.45 18.47 1jns n ALA 60 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1jns h PHE 61 N 0.00 0.76 -0.96 0.00 3.57 -1.91 -2.42 116.94 115.99 1jns h PHE 61 Ca 0.91 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 62.42 1jns h PHE 61 Cb 3.27 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 41.71 1jns h PHE 61 CO -0.00 0.48 0.59 0.22 -2.23 0.00 0.00 178.31 177.36 1jns h ASP 62 N 0.82 1.14 -0.44 0.41 1.82 0.29 -0.86 116.42 119.59 1jns h ASP 62 Ca 0.22 -0.06 0.02 0.00 -0.39 0.00 0.00 57.03 56.82 1jns h ASP 62 Cb -0.09 -0.29 -0.03 0.00 0.68 0.00 0.00 39.33 39.60 1jns h ASP 62 CO -0.05 0.87 0.26 0.11 -1.61 0.00 0.00 179.24 178.82 1jns h LYS 63 N 1.32 0.52 -0.16 0.28 1.79 -1.40 0.13 116.57 119.04 1jns h LYS 63 Ca 0.34 -0.03 -0.22 0.00 -2.18 0.00 0.00 60.65 58.56 1jns h LYS 63 Cb -0.07 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 30.47 1jns h LYS 63 CO -0.07 0.34 -0.78 -0.24 -1.08 0.00 0.00 179.45 177.63 1jns h VAL 64 N 0.53 1.27 -0.46 0.50 3.04 -1.28 0.63 116.25 120.49 1jns h VAL 64 Ca 0.18 -1.96 0.12 0.00 -1.01 0.00 0.00 66.70 64.02 1jns h VAL 64 Cb 0.01 1.97 -0.02 0.00 -2.01 0.00 0.00 31.29 31.23 1jns h VAL 64 CO -0.08 0.63 0.33 0.58 -1.01 0.00 0.00 177.57 178.01 1jns h VAL 65 N 0.55 0.80 -0.02 1.51 2.07 -0.94 0.88 116.25 121.10 1jns h VAL 65 Ca -0.05 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1jns h VAL 65 Cb 1.41 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1jns h VAL 65 CO 0.16 0.01 -0.03 0.33 0.02 0.00 0.00 177.57 178.07 1jns n PHE 66 N -4.42 0.00 -0.04 1.57 7.35 0.42 -4.40 117.46 117.94 1jns n PHE 66 Ca 0.08 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.73 1jns n PHE 66 Cb 0.49 -0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.30 1jns n PHE 66 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1jns n SER 67 N 0.81 1.01 -4.73 -2.13 2.88 0.26 -4.90 113.62 106.83 1jns n SER 67 Ca 0.16 0.28 -0.39 0.00 -1.33 0.00 0.00 58.87 57.59 1jns n SER 67 Cb 0.50 -0.65 -0.05 0.00 -0.75 0.00 0.00 64.21 63.25 1jns n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jns n PRO 69 N 3.57 1.26 -0.09 0.00 -0.04 -1.26 -4.56 135.00 133.89 1jns n PRO 69 Ca -0.05 -2.26 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 1jns n PRO 69 Cb 0.51 -3.71 0.00 0.00 -0.04 0.00 0.00 33.50 30.26 1jns n PRO 69 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1jns n VAL 70 N 7.96 0.00 -2.24 0.52 0.24 -1.26 -4.44 118.33 119.12 1jns n VAL 70 Ca 0.44 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.65 1jns n VAL 70 Cb 0.46 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.81 1jns n VAL 70 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jns n LEU 71 N -0.70 -0.18 -3.45 1.34 -0.00 0.19 -4.75 117.00 109.43 1jns n LEU 71 Ca 0.00 -0.27 -0.27 0.00 -0.00 0.00 0.00 56.01 55.46 1jns n LEU 71 Cb 0.43 -0.35 -0.11 0.00 -0.00 0.00 0.00 43.42 43.39 1jns n LEU 71 CO 0.00 0.03 -0.29 -0.70 -0.00 0.00 0.00 177.39 176.42 1jns s GLU 72 N -2.52 0.98 0.02 1.47 2.56 -1.26 -4.97 118.70 114.98 1jns s GLU 72 Ca 0.17 -2.08 -0.39 0.00 0.00 0.00 0.00 54.97 52.67 1jns s GLU 72 Cb -0.10 -1.58 -0.18 0.00 2.00 0.00 0.00 34.13 34.26 1jns s GLU 72 CO 0.23 -1.34 1.22 -2.30 -0.56 0.00 0.00 175.26 172.50 1jns n PRO 73 N 2.99 0.52 -4.70 4.30 -0.02 -1.26 -4.74 135.00 132.09 1jns n PRO 73 Ca 0.26 0.19 -0.24 0.00 -2.02 0.00 0.00 63.50 61.68 1jns n PRO 73 Cb 0.45 -1.75 -0.16 0.00 -0.02 0.00 0.00 33.50 32.02 1jns n PRO 73 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1jns s THR 74 N 0.37 1.23 -3.40 3.45 2.01 -0.65 -4.98 115.64 113.67 1jns s THR 74 Ca 0.89 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 62.28 1jns s THR 74 Cb -1.14 -1.06 0.00 0.00 0.01 0.00 0.00 72.50 70.31 1jns s THR 74 CO 0.54 0.36 0.00 0.61 -0.69 0.00 0.00 174.62 175.43 1jns n GLY 75 N 3.16 0.90 3.79 4.40 0.00 -1.26 -1.39 105.19 114.79 1jns n GLY 75 Ca -0.18 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 43.45 1jns n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jns s PRO 76 N -1.12 3.28 0.10 1.61 0.04 -1.26 -5.01 135.00 132.64 1jns s PRO 76 Ca 0.00 1.37 0.05 0.00 0.04 0.00 0.00 61.00 62.46 1jns s PRO 76 Cb 0.00 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1jns s PRO 76 CO 0.00 -0.87 -0.12 -1.17 0.04 0.00 0.00 177.00 174.88 1jns s LEU 77 N -4.26 2.39 0.06 -3.56 2.96 -0.98 -4.90 118.68 110.39 1jns s LEU 77 Ca 0.67 -0.79 -0.30 0.00 -0.22 0.00 0.00 54.13 53.49 1jns s LEU 77 Cb -0.19 -0.42 -0.05 0.00 0.50 0.00 0.00 46.19 46.03 1jns s LEU 77 CO 0.33 -0.20 1.10 -2.28 -1.32 0.00 0.00 176.35 173.98 1jns s HIS 78 N -2.20 3.55 0.26 5.38 5.65 -1.26 -0.95 115.29 125.72 1jns s HIS 78 Ca 0.06 1.50 0.00 0.00 0.25 0.00 0.00 55.06 56.87 1jns s HIS 78 Cb -0.04 -3.28 -0.03 0.00 -1.18 0.00 0.00 32.58 28.05 1jns s HIS 78 CO 0.01 -0.68 0.25 -0.08 -0.65 0.00 0.00 174.74 173.59 1jns s THR 79 N 0.84 0.00 0.55 0.89 -1.32 0.00 -4.89 115.64 111.72 1jns s THR 79 Ca 0.55 -1.90 0.23 0.00 -1.21 0.00 0.00 61.69 59.36 1jns s THR 79 Cb -0.26 -2.49 0.31 0.00 -1.51 0.00 0.00 72.50 68.55 1jns s THR 79 CO 0.29 0.00 2.20 1.56 -2.21 0.00 0.00 174.62 176.47 1jns h GLN 80 N 2.39 0.00 -0.61 7.08 4.20 -2.00 -2.32 115.11 123.84 1jns h GLN 80 Ca -0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1jns h GLN 80 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1jns h GLN 80 CO 0.45 0.00 0.00 1.19 -0.67 0.00 0.00 178.83 179.80 1jns n PHE 81 N -4.21 0.82 0.00 2.96 3.72 -1.26 -5.04 117.46 114.45 1jns n PHE 81 Ca -0.03 -0.41 0.00 0.00 -0.05 0.00 0.00 57.45 56.96 1jns n PHE 81 Cb 0.09 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 1jns n PHE 81 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jns n GLY 82 N 1.47 0.13 3.47 1.37 0.00 -0.87 -4.92 105.19 105.85 1jns n GLY 82 Ca 0.20 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 1jns n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jns s TYR 83 N 0.00 2.72 -0.16 1.61 2.02 -0.30 -0.82 117.35 122.43 1jns s TYR 83 Ca 0.00 -0.20 0.01 0.00 -0.37 0.00 0.00 57.07 56.51 1jns s TYR 83 Cb 0.00 -1.65 0.02 0.00 -0.40 0.00 0.00 41.96 39.93 1jns s TYR 83 CO 0.00 0.15 -0.18 -1.01 -1.57 0.00 0.00 175.55 172.94 1jns s HIS 84 N -0.63 2.52 -0.10 2.71 3.76 -0.12 -1.36 115.29 122.07 1jns s HIS 84 Ca 0.09 -1.40 -0.01 0.00 -0.15 0.00 0.00 55.06 53.60 1jns s HIS 84 Cb -0.11 -1.76 -0.03 0.00 1.11 0.00 0.00 32.58 31.79 1jns s HIS 84 CO 0.01 -0.70 -0.06 -1.50 -0.85 0.00 0.00 174.74 171.64 1jns s ILE 85 N 1.21 3.78 -0.04 0.60 2.07 -0.86 -2.31 121.20 125.64 1jns s ILE 85 Ca 0.01 -0.44 0.02 0.00 -1.41 0.00 0.00 60.65 58.83 1jns s ILE 85 Cb -0.14 -2.58 0.02 0.00 0.13 0.00 0.00 42.46 39.89 1jns s ILE 85 CO -0.09 0.57 -0.06 -0.63 -1.91 0.00 0.00 174.94 172.82 1jns s ILE 86 N -0.45 0.64 -0.19 2.00 1.01 -0.48 -2.06 121.20 121.66 1jns s ILE 86 Ca 0.07 -0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.44 1jns s ILE 86 Cb -0.12 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 1jns s ILE 86 CO 0.02 0.23 0.04 -0.75 0.00 0.00 0.00 174.94 174.49 1jns s LYS 87 N 0.67 3.85 -0.08 2.79 2.20 -0.68 -1.63 119.74 126.85 1jns s LYS 87 Ca -0.10 -0.41 -0.01 0.00 -0.36 0.00 0.00 55.97 55.10 1jns s LYS 87 Cb -0.13 -3.17 -0.03 0.00 -1.51 0.00 0.00 37.83 32.99 1jns s LYS 87 CO 0.01 0.18 -0.04 0.08 -0.36 0.00 0.00 175.35 175.22 1jns s VAL 88 N 0.61 3.99 -0.03 4.02 1.01 -1.26 -1.97 120.40 126.76 1jns s VAL 88 Ca 0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1jns s VAL 88 Cb -0.13 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.62 1jns s VAL 88 CO 0.02 0.59 0.05 -0.76 0.00 0.00 0.00 175.10 175.00 1jns s LEU 89 N -0.76 0.69 0.00 3.92 1.43 -0.22 0.54 118.68 124.27 1jns s LEU 89 Ca 0.12 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1jns s LEU 89 Cb -0.11 -0.05 0.00 0.00 0.03 0.00 0.00 46.19 46.06 1jns s LEU 89 CO 0.02 -0.18 0.00 0.00 0.23 0.00 0.00 176.35 176.42 1jns n TYR 90 N 4.61 0.00 -3.80 0.29 4.19 -1.26 -1.78 117.16 119.40 1jns n TYR 90 Ca -0.19 0.00 -0.28 0.00 3.31 0.00 0.00 57.90 60.74 1jns n TYR 90 Cb 0.50 0.00 0.04 0.00 0.49 0.00 0.00 39.34 40.38 1jns n TYR 90 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 1jns n ARG 91 N 0.00 -6.40 0.00 2.98 0.63 -1.26 -4.96 116.66 107.65 1jns n ARG 91 Ca 0.00 0.68 0.00 0.00 -0.92 0.00 0.00 57.85 57.61 1jns n ARG 91 Cb 0.00 -5.63 0.00 0.00 0.45 0.00 0.00 32.46 27.28 1jns n ARG 91 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21