#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 -4.95 0.00 3.64 -1.79 -3.37 116.57 111.42 1jns h LYS 2 Ca 0.00 -0.08 -0.37 0.00 -1.27 0.00 0.00 60.65 58.93 1jns h LYS 2 Cb 0.00 -0.30 -0.14 0.00 -0.41 0.00 0.00 32.23 31.38 1jns h LYS 2 CO 0.00 0.87 -0.61 0.95 -2.27 0.00 0.00 179.45 178.39 1jns s THR 3 N -6.12 0.67 -0.15 1.00 -4.23 -1.26 -4.83 115.64 100.72 1jns s THR 3 Ca -0.13 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.37 1jns s THR 3 Cb 0.18 -2.67 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 1jns s THR 3 CO 0.82 -0.00 -0.10 0.00 -0.54 0.00 0.00 174.62 174.79 1jns s ALA 4 N -3.68 2.71 -0.17 3.99 0.00 -0.61 -3.39 121.76 120.62 1jns s ALA 4 Ca 0.38 -0.91 -0.19 0.00 0.00 0.00 0.00 51.96 51.24 1jns s ALA 4 Cb 0.08 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 1jns s ALA 4 CO 0.14 0.15 0.51 0.00 0.00 0.00 0.00 175.76 176.56 1jns s ALA 5 N 0.50 3.51 -0.05 0.00 0.00 -0.53 -2.14 121.76 123.06 1jns s ALA 5 Ca -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1jns s ALA 5 Cb -0.15 -2.77 0.02 0.00 0.00 0.00 0.00 23.12 20.22 1jns s ALA 5 CO 0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 175.76 175.49 1jns s ALA 6 N 1.29 0.64 -0.12 0.00 0.00 -0.98 -0.99 121.76 121.60 1jns s ALA 6 Ca 0.25 -0.05 -0.06 0.00 0.00 0.00 0.00 51.96 52.10 1jns s ALA 6 Cb -0.15 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1jns s ALA 6 CO 0.10 -0.19 0.09 -0.51 0.00 0.00 0.00 175.76 175.25 1jns s LEU 7 N 1.32 4.04 -0.05 0.00 1.43 -0.81 -4.13 118.68 120.48 1jns s LEU 7 Ca -0.05 0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1jns s LEU 7 Cb -0.13 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.12 1jns s LEU 7 CO -0.02 0.35 -0.09 -1.00 0.23 0.00 0.00 176.35 175.82 1jns s HIS 8 N -0.70 1.14 -0.17 0.29 3.76 -1.26 -1.46 115.29 116.90 1jns s HIS 8 Ca 0.12 -0.37 -0.01 0.00 -0.15 0.00 0.00 55.06 54.65 1jns s HIS 8 Cb -0.12 -0.87 -0.01 0.00 1.11 0.00 0.00 32.58 32.69 1jns s HIS 8 CO 0.03 -0.21 -0.11 0.42 -0.85 0.00 0.00 174.74 174.01 1jns s ILE 9 N 0.64 2.99 -0.54 0.60 1.01 -0.90 -4.83 121.20 120.16 1jns s ILE 9 Ca -0.12 -0.65 -0.17 0.00 0.00 0.00 0.00 60.65 59.71 1jns s ILE 9 Cb -0.14 -2.29 0.11 0.00 0.01 0.00 0.00 42.46 40.14 1jns s ILE 9 CO 0.02 0.49 0.57 -0.22 0.00 0.00 0.00 174.94 175.80 1jns s LEU 10 N 0.89 5.72 0.00 2.97 0.20 -1.26 -2.20 118.68 125.00 1jns s LEU 10 Ca -0.03 -1.52 -0.25 0.00 0.69 0.00 0.00 54.13 53.02 1jns s LEU 10 Cb -0.15 -2.26 -0.19 0.00 -0.43 0.00 0.00 46.19 43.16 1jns s LEU 10 CO -0.00 -0.92 1.33 0.58 -0.29 0.00 0.00 176.35 177.05 1jns h VAL 11 N 5.88 1.18 0.00 1.68 2.07 -1.56 -3.45 116.25 122.05 1jns h VAL 11 Ca -0.29 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1jns h VAL 11 Cb 1.10 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1jns h VAL 11 CO 1.03 0.21 0.00 1.17 0.02 0.00 0.00 177.57 180.00 1jns n LYS 12 N -4.95 0.00 -3.93 1.57 4.81 -1.26 -4.88 118.16 109.52 1jns n LYS 12 Ca -0.08 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.21 1jns n LYS 12 Cb 0.21 -1.10 -0.15 0.00 0.02 0.00 0.00 35.03 34.01 1jns n LYS 12 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1jns s GLU 13 N -0.03 0.18 0.17 1.64 2.02 -1.26 -4.80 118.70 116.62 1jns s GLU 13 Ca 0.00 0.02 -0.15 0.00 0.02 0.00 0.00 54.97 54.86 1jns s GLU 13 Cb 0.00 -0.28 0.05 0.00 0.10 0.00 0.00 34.13 33.99 1jns s GLU 13 CO 0.00 -0.05 1.83 1.49 0.02 0.00 0.00 175.26 178.55 1jns h GLU 14 N 6.67 0.63 -0.96 1.61 4.81 -1.99 -0.52 114.58 124.83 1jns h GLU 14 Ca -0.35 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.86 1jns h GLU 14 Cb 1.17 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.35 1jns h GLU 14 CO 0.49 0.42 0.64 0.87 -0.73 0.00 0.00 179.01 180.70 1jns h LYS 15 N 0.65 1.25 -0.50 1.92 1.57 -1.99 -0.43 116.57 119.05 1jns h LYS 15 Ca 0.18 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.75 1jns h LYS 15 Cb -0.07 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 31.94 1jns h LYS 15 CO -0.04 0.83 -0.19 1.25 -0.57 0.00 0.00 179.45 180.74 1jns h LEU 16 N 1.29 1.02 -0.62 2.94 6.46 -1.81 -0.54 115.31 124.05 1jns h LEU 16 Ca 0.36 -0.37 0.01 0.00 -0.12 0.00 0.00 57.88 57.76 1jns h LEU 16 Cb -0.13 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 39.48 1jns h LEU 16 CO -0.08 1.17 0.40 0.00 -0.62 0.00 0.00 178.44 179.31 1jns h ALA 17 N 0.91 0.80 -0.92 1.25 0.00 -0.48 0.11 119.26 120.92 1jns h ALA 17 Ca 0.12 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1jns h ALA 17 Cb 0.76 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1jns h ALA 17 CO 0.06 0.19 0.61 -0.07 0.00 0.00 0.00 179.25 180.04 1jns h LEU 18 N 0.81 1.06 -0.03 0.00 3.38 -0.75 0.16 115.31 119.94 1jns h LEU 18 Ca 0.24 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1jns h LEU 18 Cb -0.05 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 1jns h LEU 18 CO -0.07 0.77 0.02 -0.78 0.09 0.00 0.00 178.44 178.46 1jns h ASP 19 N 1.25 0.03 0.02 -0.43 1.82 0.15 -2.79 116.42 116.47 1jns h ASP 19 Ca 0.34 -0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.93 1jns h ASP 19 Cb -0.15 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 39.86 1jns h ASP 19 CO -0.07 0.06 -0.01 0.17 -1.61 0.00 0.00 179.24 177.78 1jns h LEU 20 N -0.00 -0.02 -2.03 2.28 8.10 -0.26 -2.74 115.31 120.62 1jns h LEU 20 Ca 0.01 -0.44 0.03 0.00 0.11 0.00 0.00 57.88 57.59 1jns h LEU 20 Cb 0.04 0.01 -0.00 0.00 -0.44 0.00 0.00 40.66 40.26 1jns h LEU 20 CO -0.00 0.43 0.08 0.17 -4.11 0.00 0.00 178.44 175.01 1jns h LEU 21 N -0.48 0.00 -0.72 0.17 -0.00 -0.74 0.76 115.31 114.30 1jns h LEU 21 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.81 1jns h LEU 21 Cb 0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.09 1jns h LEU 21 CO 0.00 0.00 0.16 -0.08 -0.00 0.00 0.00 178.44 178.53 1jns h GLU 22 N 0.00 1.14 -0.49 0.17 4.81 -1.47 -3.22 114.58 115.52 1jns h GLU 22 Ca 0.05 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1jns h GLU 22 Cb 0.21 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1jns h GLU 22 CO -0.00 1.01 0.33 0.37 -0.73 0.00 0.00 179.01 179.98 1jns h GLN 23 N 1.08 0.65 -0.19 1.92 5.75 0.85 -2.49 115.11 122.68 1jns h GLN 23 Ca 0.22 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.68 1jns h GLN 23 Cb 0.38 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 1jns h GLN 23 CO 0.00 0.43 0.11 0.82 -2.65 0.00 0.00 178.83 177.55 1jns h ILE 24 N 0.67 1.09 -0.10 2.39 2.04 -1.48 1.13 117.51 123.25 1jns h ILE 24 Ca 0.18 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1jns h ILE 24 Cb -0.07 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1jns h ILE 24 CO -0.04 0.08 0.06 0.11 0.00 0.00 0.00 178.15 178.37 1jns h LYS 25 N 0.22 0.13 0.86 2.37 1.57 -1.65 2.09 116.57 122.17 1jns h LYS 25 Ca 0.07 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1jns h LYS 25 Cb 0.04 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1jns h LYS 25 CO -0.01 0.10 -0.41 -0.97 -0.57 0.00 0.00 179.45 177.59 1jns h ASN 26 N 0.12 -0.97 0.00 0.86 -1.24 -1.17 -3.39 115.58 109.79 1jns h ASN 26 Ca 0.04 0.03 -0.32 0.00 0.71 0.00 0.00 56.30 56.76 1jns h ASN 26 Cb -0.00 0.25 -0.05 0.00 0.73 0.00 0.00 38.32 39.25 1jns h ASN 26 CO -0.01 -0.70 -2.10 0.61 -1.29 0.00 0.00 177.43 173.94 1jns n GLY 27 N -1.58 -0.30 0.02 1.57 0.00 0.38 -5.10 105.19 100.18 1jns n GLY 27 Ca -0.15 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.62 -0.06 0.00 4.61 0.00 0.71 -4.95 120.51 117.20 1jns n ALA 28 Ca -0.37 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1jns n ALA 28 Cb 0.80 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.23 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 -2.48 0.00 0.02 0.00 8.00 -1.26 -4.81 116.55 116.03 1jns n ASP 29 Ca -0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 1jns n ASP 29 Cb 0.01 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.05 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 0.00 0.05 -0.32 1.24 0.04 -1.98 -1.76 116.94 114.21 1jns h PHE 30 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1jns h PHE 30 Cb 0.00 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 1jns h PHE 30 CO 0.00 0.03 0.15 0.78 -0.60 0.00 0.00 178.31 178.68 1jns h GLY 31 N 0.05 0.49 1.05 -1.45 0.00 -2.00 -2.01 103.07 99.20 1jns h GLY 31 Ca 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1jns h GLY 31 CO -0.00 0.23 0.36 1.70 0.00 0.00 0.00 176.54 178.83 1jns h LYS 32 N 0.38 1.22 -0.82 4.80 3.64 -1.91 -2.28 116.57 121.60 1jns h LYS 32 Ca 0.11 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 1jns h LYS 32 Cb 0.12 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 1jns h LYS 32 CO -0.01 0.96 0.35 1.25 -2.27 0.00 0.00 179.45 179.73 1jns h LEU 33 N 1.20 1.11 -0.02 5.20 5.85 -1.14 -2.17 115.31 125.34 1jns h LEU 33 Ca 0.28 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1jns h LEU 33 Cb 0.17 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 1jns h LEU 33 CO -0.03 0.97 -0.00 0.00 -0.34 0.00 0.00 178.44 179.04 1jns h ALA 34 N 1.19 0.02 -0.25 1.25 0.00 -0.79 -1.80 119.26 118.87 1jns h ALA 34 Ca 0.28 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1jns h ALA 34 Cb 0.18 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1jns h ALA 34 CO -0.03 -0.49 0.17 -0.22 0.00 0.00 0.00 179.25 178.67 1jns h LYS 35 N 0.00 0.33 -0.75 0.00 3.64 -1.36 0.41 116.57 118.84 1jns h LYS 35 Ca 0.01 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1jns h LYS 35 Cb 0.01 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 1jns h LYS 35 CO -0.02 0.22 0.46 -0.22 -2.27 0.00 0.00 179.45 177.63 1jns h LYS 36 N 0.34 1.01 -0.01 1.90 1.63 -1.12 -3.14 116.57 117.18 1jns h LYS 36 Ca 0.09 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1jns h LYS 36 Cb -0.04 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.38 1jns h LYS 36 CO -0.02 0.70 -0.35 0.72 -3.45 0.00 0.00 179.45 177.05 1jns n HIS 37 N -4.52 0.00 -0.12 1.91 8.25 -0.70 -4.55 115.22 115.48 1jns n HIS 37 Ca 0.07 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.45 1jns n HIS 37 Cb 0.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1jns n HIS 37 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1jns h SER 38 N 2.12 0.46 -4.70 0.41 0.87 -0.13 -3.45 113.55 109.12 1jns h SER 38 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1jns h SER 38 Cb 0.62 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1jns h SER 38 CO 0.00 0.33 0.00 0.00 -0.53 0.00 0.00 176.83 176.63 1jns n ILE 39 N -4.81 0.00 -4.43 2.23 3.06 -1.26 -4.85 119.36 109.30 1jns n ILE 39 Ca 0.00 0.00 -0.21 0.00 -2.50 0.00 0.00 62.75 60.05 1jns n ILE 39 Cb 0.02 0.00 -0.16 0.00 0.54 0.00 0.00 39.64 40.05 1jns n ILE 39 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1jns h PRO 41 N 6.39 0.08 -0.72 0.00 0.11 -2.02 0.50 132.00 136.35 1jns h PRO 41 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1jns h PRO 41 Cb 1.17 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1jns h PRO 41 CO 0.49 0.06 0.00 0.43 -0.21 0.00 0.00 178.00 178.76 1jns n SER 42 N -4.33 4.30 -0.04 -2.05 7.64 -1.26 -3.69 113.62 114.19 1jns n SER 42 Ca 0.18 -2.16 -0.05 0.00 1.01 0.00 0.00 58.87 57.85 1jns n SER 42 Cb 0.87 -0.53 -0.02 0.00 -1.01 0.00 0.00 64.21 63.52 1jns n SER 42 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jns n GLY 43 N 1.50 -0.39 0.38 0.23 0.00 0.17 0.01 105.19 107.09 1jns n GLY 43 Ca 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 1jns n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jns h LYS 44 N -0.54 1.32 0.00 1.61 1.57 -1.73 1.44 116.57 120.24 1jns h LYS 44 Ca 0.00 -0.08 -0.33 0.00 -1.87 0.00 0.00 60.65 58.37 1jns h LYS 44 Cb 0.54 -0.30 -0.06 0.00 0.08 0.00 0.00 32.23 32.49 1jns h LYS 44 CO 0.00 0.88 -2.25 -2.13 -0.57 0.00 0.00 179.45 175.38 1jns n ARG 45 N -4.38 0.92 0.00 3.15 3.00 -1.25 -4.48 116.66 113.62 1jns n ARG 45 Ca 0.12 0.04 0.11 0.00 -0.00 0.00 0.00 57.85 58.12 1jns n ARG 45 Cb 0.01 -1.46 0.01 0.00 0.00 0.00 0.00 32.46 31.03 1jns n ARG 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jns n GLY 46 N 2.07 0.01 0.19 5.14 0.00 -1.00 -4.40 105.19 107.20 1jns n GLY 46 Ca -0.33 -0.63 -0.05 0.00 0.00 0.00 0.00 46.02 45.01 1jns n GLY 46 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jns h GLY 47 N 4.85 0.25 -7.03 -0.02 0.00 0.58 -3.26 103.07 98.44 1jns h GLY 47 Ca 0.00 0.16 -0.55 0.00 0.00 0.00 0.00 47.33 46.94 1jns h GLY 47 CO 0.00 -0.17 1.20 -0.35 0.00 0.00 0.00 176.54 177.22 1jns s ASP 48 N -5.20 5.92 0.00 0.19 -1.08 -1.26 -4.02 116.67 111.22 1jns s ASP 48 Ca -0.14 0.76 0.13 0.00 -0.52 0.00 0.00 52.55 52.78 1jns s ASP 48 Cb 0.15 -2.53 0.13 0.00 -1.46 0.00 0.00 42.92 39.21 1jns s ASP 48 CO 0.71 -1.78 0.96 0.18 0.52 0.00 0.00 175.17 175.75 1jns n LEU 49 N 10.29 2.21 0.00 -1.34 4.32 -1.23 -5.07 117.00 126.19 1jns n LEU 49 Ca 0.18 -1.11 0.00 0.00 -0.02 0.00 0.00 56.01 55.06 1jns n LEU 49 Cb 0.49 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 1jns n LEU 49 CO 0.70 0.43 0.00 0.61 -1.22 0.00 0.00 177.39 177.91 1jns n GLY 50 N 0.74 1.87 3.26 -0.72 0.00 -1.26 -4.73 105.19 104.35 1jns n GLY 50 Ca 0.08 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 1jns n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jns s GLU 51 N 0.00 2.09 0.43 1.61 2.02 -1.26 -2.32 118.70 121.27 1jns s GLU 51 Ca 0.00 -0.85 0.05 0.00 0.02 0.00 0.00 54.97 54.18 1jns s GLU 51 Cb 0.00 -1.93 -0.05 0.00 0.10 0.00 0.00 34.13 32.25 1jns s GLU 51 CO 0.00 0.46 0.02 -0.59 0.02 0.00 0.00 175.26 175.17 1jns s PHE 52 N -0.42 2.20 0.03 1.61 -0.12 -0.91 -4.82 117.98 115.56 1jns s PHE 52 Ca 0.05 -0.84 0.07 0.00 -0.05 0.00 0.00 56.93 56.17 1jns s PHE 52 Cb -0.11 -1.62 -0.02 0.00 -0.63 0.00 0.00 43.02 40.64 1jns s PHE 52 CO 0.00 0.28 -0.21 -0.98 -0.05 0.00 0.00 175.22 174.26 1jns s ARG 53 N -3.78 1.48 0.00 1.99 1.70 -1.26 -1.58 118.95 117.50 1jns s ARG 53 Ca 0.25 -0.93 0.00 0.00 -0.47 0.00 0.00 55.73 54.58 1jns s ARG 53 Cb 0.07 -1.58 0.00 0.00 -0.57 0.00 0.00 34.95 32.87 1jns s ARG 53 CO 0.13 0.41 0.00 1.04 -1.08 0.00 0.00 175.30 175.80 1jns n GLN 54 N 1.95 0.00 0.00 3.89 6.02 -1.26 -4.25 117.38 123.72 1jns n GLN 54 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 1jns n GLN 54 Cb 0.53 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.79 1jns n GLN 54 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jns n GLY 55 N 0.00 3.38 4.58 1.08 0.00 -1.26 -4.98 105.19 107.99 1jns n GLY 55 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1jns n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jns n GLN 56 N 0.00 0.00 0.00 1.61 10.64 -1.26 -3.69 117.38 124.68 1jns n GLN 56 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1jns n GLN 56 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1jns n GLN 56 CO 0.00 0.00 0.00 -0.12 -1.83 0.00 0.00 177.06 175.11 1jns n MET 57 N 0.00 0.00 -3.67 2.61 1.56 -1.26 -4.15 117.12 112.21 1jns n MET 57 Ca 0.00 0.00 -0.10 0.00 -0.27 0.00 0.00 57.70 57.33 1jns n MET 57 Cb 0.00 0.00 -0.09 0.00 2.15 0.00 0.00 33.22 35.28 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 -0.16 -0.01 0.16 1.12 0.11 -1.24 -5.05 120.40 115.32 1jns s VAL 58 Ca 0.00 0.03 -0.23 0.00 -2.93 0.00 0.00 61.98 58.86 1jns s VAL 58 Cb 0.00 -0.79 0.04 0.00 -1.53 0.00 0.00 36.38 34.11 1jns s VAL 58 CO 0.00 0.01 1.62 1.55 -3.33 0.00 0.00 175.10 174.95 1jns h PRO 59 N 6.49 -0.25 -1.27 1.54 0.13 -1.92 0.04 132.00 136.77 1jns h PRO 59 Ca -0.32 0.02 0.41 0.00 -0.87 0.00 0.00 66.00 65.24 1jns h PRO 59 Cb 1.19 0.06 -0.12 0.00 0.13 0.00 0.00 31.00 32.26 1jns h PRO 59 CO 0.21 -0.16 0.81 0.00 -0.23 0.00 0.00 178.00 178.63 1jns h ALA 60 N 0.78 2.64 -1.01 -0.56 0.00 -1.96 0.58 119.26 119.73 1jns h ALA 60 Ca 0.15 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1jns h ALA 60 Cb 0.49 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1jns h ALA 60 CO -0.44 -1.24 0.67 0.35 0.00 0.00 0.00 179.25 178.59 1jns h PHE 61 N 0.13 1.27 -0.00 0.00 3.57 -1.39 -2.13 116.94 118.39 1jns h PHE 61 Ca 0.78 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.32 1jns h PHE 61 Cb 2.40 -0.43 -0.00 0.00 2.79 0.00 0.00 35.95 40.71 1jns h PHE 61 CO -0.01 0.80 0.00 0.22 -2.23 0.00 0.00 178.31 177.09 1jns h ASP 62 N 1.37 0.00 0.00 0.41 1.82 0.11 0.51 116.42 120.64 1jns h ASP 62 Ca 0.37 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 57.01 1jns h ASP 62 Cb -0.16 0.00 0.00 0.00 0.68 0.00 0.00 39.33 39.85 1jns h ASP 62 CO -0.08 0.00 -0.00 0.50 -1.61 0.00 0.00 179.24 178.05 1jns h LYS 63 N 0.00 -0.00 -0.12 0.28 3.64 -1.53 -1.55 116.57 117.29 1jns h LYS 63 Ca 0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1jns h LYS 63 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1jns h LYS 63 CO -0.00 -0.00 -0.33 -0.24 -2.27 0.00 0.00 179.45 176.60 1jns h VAL 64 N -0.00 1.38 -0.37 2.00 3.04 -1.15 1.40 116.25 122.54 1jns h VAL 64 Ca -0.00 -1.64 0.11 0.00 -1.01 0.00 0.00 66.70 64.16 1jns h VAL 64 Cb 0.00 2.12 -0.01 0.00 -2.01 0.00 0.00 31.29 31.39 1jns h VAL 64 CO 0.00 0.49 0.30 1.62 -1.01 0.00 0.00 177.57 178.97 1jns h VAL 65 N 0.01 0.66 0.00 1.51 3.04 -0.02 1.47 116.25 122.92 1jns h VAL 65 Ca -0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 1jns h VAL 65 Cb 0.95 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 1jns h VAL 65 CO 0.07 0.00 -0.71 0.33 -1.01 0.00 0.00 177.57 176.25 1jns n PHE 66 N -4.18 0.04 -0.09 3.17 7.35 -0.58 -4.35 117.46 118.82 1jns n PHE 66 Ca 0.06 0.01 -0.11 0.00 -0.76 0.00 0.00 57.45 56.65 1jns n PHE 66 Cb 0.48 -0.20 -0.04 0.00 0.35 0.00 0.00 39.48 40.06 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 -1.57 1.87 -4.35 -2.13 2.88 0.48 -4.89 113.62 105.91 1jns n SER 67 Ca 0.05 0.49 -0.35 0.00 -1.33 0.00 0.00 58.87 57.73 1jns n SER 67 Cb 0.35 -0.85 -0.14 0.00 -0.75 0.00 0.00 64.21 62.82 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 4.43 -4.56 -0.75 0.00 -0.04 -1.26 -4.29 135.00 128.52 1jns n PRO 69 Ca -0.18 -1.48 -0.31 0.00 -0.04 0.00 0.00 63.50 61.50 1jns n PRO 69 Cb 0.51 -1.82 0.17 0.00 -0.04 0.00 0.00 33.50 32.32 1jns n PRO 69 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1jns s VAL 70 N -2.23 2.22 -1.93 0.52 -7.23 -1.26 -2.84 120.40 107.66 1jns s VAL 70 Ca 0.66 0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.90 1jns s VAL 70 Cb -0.11 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.67 1jns s VAL 70 CO 0.55 -0.09 0.00 0.18 -0.31 0.00 0.00 175.10 175.43 1jns n LEU 71 N -4.24 -1.56 -3.38 1.32 4.32 0.33 -4.88 117.00 108.90 1jns n LEU 71 Ca 0.10 0.32 -0.26 0.00 -0.02 0.00 0.00 56.01 56.15 1jns n LEU 71 Cb 0.53 -2.75 -0.08 0.00 -1.62 0.00 0.00 43.42 39.50 1jns n LEU 71 CO 0.51 -0.73 -0.12 -0.62 -1.22 0.00 0.00 177.39 175.21 1jns n GLU 72 N -2.54 1.51 -1.69 3.23 1.02 -1.13 -5.02 120.64 116.03 1jns n GLU 72 Ca -0.21 -3.94 -0.61 0.00 -0.02 0.00 0.00 57.16 52.38 1jns n GLU 72 Cb 0.65 -1.80 -0.08 0.00 -0.02 0.00 0.00 31.44 30.19 1jns n GLU 72 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1jns n PRO 73 N 1.40 0.65 -5.22 3.49 -0.02 -1.26 -4.72 135.00 129.32 1jns n PRO 73 Ca 0.25 0.24 -0.32 0.00 -2.02 0.00 0.00 63.50 61.65 1jns n PRO 73 Cb 0.46 -1.84 -0.17 0.00 -0.02 0.00 0.00 33.50 31.93 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 2.70 2.06 -4.33 3.45 2.01 -0.84 -4.98 115.64 115.71 1jns s THR 74 Ca 0.98 -1.02 0.00 0.00 0.31 0.00 0.00 61.69 61.96 1jns s THR 74 Cb -1.22 -1.78 0.00 0.00 0.01 0.00 0.00 72.50 69.51 1jns s THR 74 CO 0.68 0.56 0.00 0.61 -0.69 0.00 0.00 174.62 175.78 1jns n GLY 75 N 3.51 0.91 3.76 4.40 0.00 -1.26 -1.57 105.19 114.94 1jns n GLY 75 Ca -0.19 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.63 2.77 0.11 1.61 0.04 -1.26 -4.97 135.00 131.67 1jns s PRO 76 Ca 0.00 1.51 0.04 0.00 0.04 0.00 0.00 61.00 62.59 1jns s PRO 76 Cb 0.00 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 1jns s PRO 76 CO 0.00 -1.29 -0.10 -1.17 0.04 0.00 0.00 177.00 174.48 1jns s LEU 77 N -4.72 2.47 0.23 -3.56 2.96 -0.68 -4.88 118.68 110.49 1jns s LEU 77 Ca 0.70 -0.91 -0.31 0.00 -0.22 0.00 0.00 54.13 53.39 1jns s LEU 77 Cb -0.23 -0.28 -0.11 0.00 0.50 0.00 0.00 46.19 46.07 1jns s LEU 77 CO 0.40 -0.32 1.57 -1.00 -1.32 0.00 0.00 176.35 175.67 1jns s HIS 78 N -2.93 2.94 0.09 5.38 3.76 -1.26 -1.19 115.29 122.07 1jns s HIS 78 Ca 0.10 0.73 -0.10 0.00 -0.15 0.00 0.00 55.06 55.64 1jns s HIS 78 Cb 0.00 -3.97 0.01 0.00 1.11 0.00 0.00 32.58 29.73 1jns s HIS 78 CO -0.01 -3.41 0.23 -0.08 -0.85 0.00 0.00 174.74 170.63 1jns s THR 79 N 0.53 0.12 0.57 1.30 -1.32 -0.25 -4.81 115.64 111.78 1jns s THR 79 Ca 0.66 -1.02 0.25 0.00 -1.21 0.00 0.00 61.69 60.37 1jns s THR 79 Cb -0.45 -1.24 0.33 0.00 -1.51 0.00 0.00 72.50 69.62 1jns s THR 79 CO 0.39 -0.56 2.22 1.56 -2.21 0.00 0.00 174.62 176.02 1jns h GLN 80 N 2.78 0.00 -0.01 7.08 4.20 -2.02 -1.00 115.11 126.15 1jns h GLN 80 Ca -0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.37 1jns h GLN 80 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1jns h GLN 80 CO 0.53 0.00 -0.07 1.19 -0.67 0.00 0.00 178.83 179.82 1jns n PHE 81 N -4.09 0.00 0.00 2.96 3.01 -1.26 -5.03 117.46 113.05 1jns n PHE 81 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 1jns n PHE 81 Cb 0.08 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 1jns n PHE 81 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jns n GLY 82 N 1.20 0.39 3.28 1.37 0.00 -0.38 -4.80 105.19 106.26 1jns n GLY 82 Ca 0.18 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 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 2.88 -0.23 1.61 1.51 -1.26 -1.09 117.35 120.77 1jns s TYR 83 Ca 0.00 -1.01 -0.05 0.00 -1.01 0.00 0.00 57.07 54.99 1jns s TYR 83 Cb 0.00 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.83 1jns s TYR 83 CO 0.00 -0.52 0.01 -1.01 -1.11 0.00 0.00 175.55 172.92 1jns s HIS 84 N 1.16 3.01 -0.30 2.71 3.76 -0.33 -1.38 115.29 123.91 1jns s HIS 84 Ca 0.01 -0.69 -0.10 0.00 -0.15 0.00 0.00 55.06 54.13 1jns s HIS 84 Cb -0.14 -2.16 -0.02 0.00 1.11 0.00 0.00 32.58 31.37 1jns s HIS 84 CO -0.03 -0.45 0.16 -1.50 -0.85 0.00 0.00 174.74 172.08 1jns s ILE 85 N 1.49 4.78 -0.13 0.60 2.07 -0.94 -1.68 121.20 127.40 1jns s ILE 85 Ca 0.06 -0.27 0.00 0.00 -1.41 0.00 0.00 60.65 59.03 1jns s ILE 85 Cb -0.15 -3.39 -0.01 0.00 0.13 0.00 0.00 42.46 39.04 1jns s ILE 85 CO -0.00 0.12 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.38 1jns s ILE 86 N 1.65 2.96 -0.27 2.00 1.01 -0.61 -2.12 121.20 125.82 1jns s ILE 86 Ca 0.05 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 59.90 1jns s ILE 86 Cb -0.17 -2.23 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 1jns s ILE 86 CO 0.07 0.53 0.18 -0.75 0.00 0.00 0.00 174.94 174.97 1jns s LYS 87 N 0.34 3.96 -0.12 2.79 2.20 -0.54 -1.98 119.74 126.40 1jns s LYS 87 Ca -0.12 -0.32 -0.06 0.00 -0.36 0.00 0.00 55.97 55.11 1jns s LYS 87 Cb -0.16 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.48 1jns s LYS 87 CO 0.06 -0.15 0.12 0.08 -0.36 0.00 0.00 175.35 175.10 1jns s VAL 88 N 1.66 5.30 -0.05 4.02 1.01 -1.26 -1.92 120.40 129.15 1jns s VAL 88 Ca 0.07 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 1jns s VAL 88 Cb -0.16 -3.31 0.03 0.00 0.00 0.00 0.00 36.38 32.95 1jns s VAL 88 CO 0.10 0.60 0.04 -0.76 0.00 0.00 0.00 175.10 175.08 1jns s LEU 89 N -0.90 0.36 0.00 3.92 1.43 -0.16 0.12 118.68 123.46 1jns s LEU 89 Ca 0.14 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1jns s LEU 89 Cb -0.12 -0.25 0.00 0.00 0.03 0.00 0.00 46.19 45.85 1jns s LEU 89 CO 0.03 -0.22 0.00 -1.22 0.23 0.00 0.00 176.35 175.17 1jns n TYR 90 N 5.17 0.00 -1.29 0.29 4.01 -1.26 -1.45 117.16 122.63 1jns n TYR 90 Ca -0.06 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.83 1jns n TYR 90 Cb 0.50 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.46 1jns n TYR 90 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1jns n ARG 91 N -1.06 -2.67 0.00 -0.72 0.63 -1.26 -4.58 116.66 107.00 1jns n ARG 91 Ca 0.00 2.10 0.12 0.00 -0.92 0.00 0.00 57.85 59.15 1jns n ARG 91 Cb 0.00 -3.25 0.15 0.00 0.45 0.00 0.00 32.46 29.81 1jns n ARG 91 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41