#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 -0.30 -4.38 0.00 1.57 -1.96 -3.40 116.57 108.10 1jns h LYS 2 Ca 0.00 0.02 -0.40 0.00 -1.87 0.00 0.00 60.65 58.40 1jns h LYS 2 Cb 0.00 0.07 -0.31 0.00 0.08 0.00 0.00 32.23 32.07 1jns h LYS 2 CO 0.00 -0.20 -0.77 0.99 -0.57 0.00 0.00 179.45 178.89 1jns s THR 3 N -6.14 0.62 0.09 -0.16 2.01 -1.26 -2.48 115.64 108.31 1jns s THR 3 Ca -0.15 -0.26 -0.13 0.00 0.31 0.00 0.00 61.69 61.46 1jns s THR 3 Cb 0.05 -0.57 0.02 0.00 0.01 0.00 0.00 72.50 72.01 1jns s THR 3 CO 0.65 0.21 0.30 0.00 -0.69 0.00 0.00 174.62 175.09 1jns s ALA 4 N 0.29 -0.63 -0.14 7.40 0.00 -0.88 -3.73 121.76 124.07 1jns s ALA 4 Ca -0.04 -0.21 -0.07 0.00 0.00 0.00 0.00 51.96 51.64 1jns s ALA 4 Cb -0.08 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 1jns s ALA 4 CO 0.00 -0.53 0.11 0.00 0.00 0.00 0.00 175.76 175.34 1jns s ALA 5 N -3.45 3.72 -0.15 0.00 0.00 -0.99 -1.42 121.76 119.47 1jns s ALA 5 Ca 0.01 -0.68 -0.08 0.00 0.00 0.00 0.00 51.96 51.21 1jns s ALA 5 Cb 0.02 -1.94 0.06 0.00 0.00 0.00 0.00 23.12 21.25 1jns s ALA 5 CO -0.09 0.48 0.37 0.00 0.00 0.00 0.00 175.76 176.51 1jns s ALA 6 N -0.59 -0.92 -0.15 0.00 0.00 -0.90 -0.71 121.76 118.49 1jns s ALA 6 Ca 0.12 1.39 -0.09 0.00 0.00 0.00 0.00 51.96 53.38 1jns s ALA 6 Cb -0.12 -0.86 -0.05 0.00 0.00 0.00 0.00 23.12 22.10 1jns s ALA 6 CO 0.02 -0.26 0.16 -0.51 0.00 0.00 0.00 175.76 175.17 1jns s LEU 7 N 1.40 4.31 -0.06 0.00 1.43 -0.78 -3.77 118.68 121.20 1jns s LEU 7 Ca -0.09 0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 1jns s LEU 7 Cb -0.09 -2.12 0.02 0.00 0.03 0.00 0.00 46.19 44.03 1jns s LEU 7 CO -0.12 0.29 -0.10 -1.00 0.23 0.00 0.00 176.35 175.65 1jns s HIS 8 N -0.34 1.26 -0.13 0.29 3.76 0.77 -1.17 115.29 119.73 1jns s HIS 8 Ca 0.12 -0.45 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 1jns s HIS 8 Cb -0.12 -0.96 -0.01 0.00 1.11 0.00 0.00 32.58 32.59 1jns s HIS 8 CO 0.02 -0.26 -0.14 0.42 -0.85 0.00 0.00 174.74 173.93 1jns s ILE 9 N 0.79 2.99 -0.30 0.60 1.01 -0.95 -1.92 121.20 123.41 1jns s ILE 9 Ca -0.13 -0.68 -0.08 0.00 0.00 0.00 0.00 60.65 59.76 1jns s ILE 9 Cb -0.15 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 40.07 1jns s ILE 9 CO 0.02 0.53 0.11 -0.22 0.00 0.00 0.00 174.94 175.38 1jns s LEU 10 N 0.37 3.97 -0.20 2.97 1.98 -1.26 -2.13 118.68 124.38 1jns s LEU 10 Ca -0.11 -0.66 -0.09 0.00 -2.89 0.00 0.00 54.13 50.38 1jns s LEU 10 Cb -0.16 -1.93 -0.05 0.00 0.66 0.00 0.00 46.19 44.72 1jns s LEU 10 CO 0.06 -0.20 0.11 -0.69 -1.89 0.00 0.00 176.35 173.74 1jns s VAL 11 N 1.54 5.18 0.17 1.68 1.01 -0.49 -4.87 120.40 124.62 1jns s VAL 11 Ca 0.03 0.11 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 1jns s VAL 11 Cb -0.17 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 32.87 1jns s VAL 11 CO 0.04 0.43 1.59 0.50 0.00 0.00 0.00 175.10 177.66 1jns h LYS 12 N 6.84 1.04 -6.00 2.72 3.64 -1.88 -0.16 116.57 122.77 1jns h LYS 12 Ca -0.39 -0.39 -0.68 0.00 -1.27 0.00 0.00 60.65 57.92 1jns h LYS 12 Cb 1.16 -0.06 -0.18 0.00 -0.41 0.00 0.00 32.23 32.74 1jns h LYS 12 CO 0.72 1.09 -0.66 -1.21 -2.27 0.00 0.00 179.45 177.11 1jns s GLU 13 N -4.83 2.92 0.23 1.90 2.02 -1.26 -4.70 118.70 114.99 1jns s GLU 13 Ca -0.12 -0.49 -0.08 0.00 0.02 0.00 0.00 54.97 54.30 1jns s GLU 13 Cb 0.13 -2.70 0.21 0.00 0.10 0.00 0.00 34.13 31.87 1jns s GLU 13 CO 0.87 0.64 1.90 1.49 0.02 0.00 0.00 175.26 180.18 1jns h GLU 14 N 5.36 1.16 -0.70 1.61 4.81 -1.99 -1.52 114.58 123.31 1jns h GLU 14 Ca -0.48 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 58.75 1jns h GLU 14 Cb 1.18 -0.26 -0.06 0.00 0.63 0.00 0.00 28.75 30.24 1jns h GLU 14 CO 0.54 0.77 0.38 0.87 -0.73 0.00 0.00 179.01 180.85 1jns h LYS 15 N 1.19 0.67 -0.31 1.92 1.57 -1.99 0.25 116.57 119.88 1jns h LYS 15 Ca 0.32 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.95 1jns h LYS 15 Cb -0.13 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.02 1jns h LYS 15 CO -0.07 0.44 -0.26 1.25 -0.57 0.00 0.00 179.45 180.24 1jns h LEU 16 N 0.69 0.63 -0.63 2.94 6.46 -1.86 0.78 115.31 124.33 1jns h LEU 16 Ca 0.33 -0.23 0.05 0.00 -0.12 0.00 0.00 57.88 57.90 1jns h LEU 16 Cb 0.25 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 39.96 1jns h LEU 16 CO -0.21 0.87 0.36 0.00 -0.62 0.00 0.00 178.44 178.84 1jns h ALA 17 N 1.18 0.82 -1.00 1.25 0.00 -0.05 1.53 119.26 123.00 1jns h ALA 17 Ca 0.07 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1jns h ALA 17 Cb 0.73 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1jns h ALA 17 CO 0.06 0.06 0.66 -0.07 0.00 0.00 0.00 179.25 179.95 1jns h LEU 18 N 0.68 1.15 -0.86 0.00 4.07 0.16 0.36 115.31 120.87 1jns h LEU 18 Ca 0.27 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.19 1jns h LEU 18 Cb 0.12 -0.29 -0.04 0.00 1.08 0.00 0.00 40.66 41.53 1jns h LEU 18 CO -0.15 0.84 0.51 -0.78 -1.08 0.00 0.00 178.44 177.78 1jns h ASP 19 N 1.36 1.05 0.00 -0.43 1.82 0.16 -3.09 116.42 117.29 1jns h ASP 19 Ca 0.37 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.93 1jns h ASP 19 Cb -0.15 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 39.59 1jns h ASP 19 CO -0.08 0.82 0.00 -0.11 -1.61 0.00 0.00 179.24 178.26 1jns n LEU 20 N -4.40 0.58 0.33 2.28 7.94 0.50 -3.25 117.00 120.98 1jns n LEU 20 Ca 0.09 0.37 0.12 0.00 -1.11 0.00 0.00 56.01 55.47 1jns n LEU 20 Cb 0.07 0.00 0.61 0.00 0.53 0.00 0.00 43.42 44.63 1jns n LEU 20 CO 0.38 0.00 1.10 0.17 -1.11 0.00 0.00 177.39 177.92 1jns h LEU 21 N 0.00 0.00 -0.73 -1.96 8.10 -0.58 1.26 115.31 121.41 1jns h LEU 21 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.92 1jns h LEU 21 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.19 1jns h LEU 21 CO 0.00 0.00 0.18 -0.08 -4.11 0.00 0.00 178.44 174.43 1jns h GLU 22 N 0.00 1.15 -0.81 0.17 4.57 -1.60 -3.20 114.58 114.87 1jns h GLU 22 Ca 0.00 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1jns h GLU 22 Cb 1.00 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 29.40 1jns h GLU 22 CO -0.00 1.01 0.51 1.96 -1.18 0.00 0.00 179.01 181.31 1jns h GLN 23 N 1.09 1.08 -0.47 1.92 1.08 0.16 -2.89 115.11 117.10 1jns h GLN 23 Ca 0.23 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.31 1jns h GLN 23 Cb 0.37 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 1jns h GLN 23 CO 0.00 0.74 0.13 0.82 -0.95 0.00 0.00 178.83 179.57 1jns h ILE 24 N 1.11 1.23 0.00 2.54 5.03 -1.61 0.77 117.51 126.58 1jns h ILE 24 Ca 0.29 -0.79 -0.00 0.00 -0.12 0.00 0.00 64.86 64.25 1jns h ILE 24 Cb -0.09 0.86 0.00 0.00 -3.03 0.00 0.00 36.82 34.56 1jns h ILE 24 CO -0.06 0.28 -0.00 0.50 -0.68 0.00 0.00 178.15 178.19 1jns h LYS 25 N 0.62 -0.01 0.62 2.37 3.64 -1.64 2.12 116.57 124.30 1jns h LYS 25 Ca 0.15 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1jns h LYS 25 Cb 0.30 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1jns h LYS 25 CO -0.00 0.09 -0.30 -0.97 -2.27 0.00 0.00 179.45 176.00 1jns h ASN 26 N -0.10 -0.71 0.00 4.20 -0.00 -1.40 -3.39 115.58 114.19 1jns h ASN 26 Ca -0.00 -0.02 -0.30 0.00 -0.00 0.00 0.00 56.30 55.98 1jns h ASN 26 Cb 0.10 0.18 -0.05 0.00 -0.00 0.00 0.00 38.32 38.55 1jns h ASN 26 CO 0.00 -0.40 -2.14 0.61 -0.00 0.00 0.00 177.43 175.49 1jns n GLY 27 N -0.99 -0.28 5.95 1.57 0.00 0.26 -5.11 105.19 106.59 1jns n GLY 27 Ca -0.12 -0.13 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 -3.09 0.00 -2.84 4.61 0.00 0.72 -4.94 120.51 114.97 1jns n ALA 28 Ca -0.36 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.04 1jns n ALA 28 Cb 0.88 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.33 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 0.55 -7.49 -0.04 0.00 8.00 -1.26 -4.55 116.55 111.76 1jns n ASP 29 Ca 0.00 0.26 -0.10 0.00 0.71 0.00 0.00 54.79 55.66 1jns n ASP 29 Cb 0.00 -5.07 -0.04 0.00 -0.02 0.00 0.00 41.12 35.99 1jns n ASP 29 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1jns h PHE 30 N 1.24 0.23 -0.86 1.24 3.04 -1.95 -2.48 116.94 117.41 1jns h PHE 30 Ca 0.00 0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.96 1jns h PHE 30 Cb 0.96 -0.08 -0.04 0.00 2.56 0.00 0.00 35.95 39.35 1jns h PHE 30 CO 0.13 0.15 0.57 0.78 -2.02 0.00 0.00 178.31 177.92 1jns h GLY 31 N 0.25 1.21 1.09 2.40 0.00 -1.91 -1.51 103.07 104.60 1jns h GLY 31 Ca 0.07 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 1jns h GLY 31 CO -0.02 0.44 -0.02 0.50 0.00 0.00 0.00 176.54 177.45 1jns h LYS 32 N 1.16 1.08 -0.69 4.80 1.57 -1.87 -2.54 116.57 120.08 1jns h LYS 32 Ca 0.31 -0.35 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 1jns h LYS 32 Cb -0.14 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 1jns h LYS 32 CO -0.07 1.06 0.14 -0.07 -0.57 0.00 0.00 179.45 179.94 1jns h LEU 33 N 0.98 1.08 -0.31 2.94 3.38 -1.03 -2.39 115.31 119.96 1jns h LEU 33 Ca 0.17 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1jns h LEU 33 Cb 0.58 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1jns h LEU 33 CO 0.03 1.05 0.19 0.00 0.09 0.00 0.00 178.44 179.80 1jns h ALA 34 N 1.07 0.39 -0.92 1.53 0.00 -1.06 -1.05 119.26 119.22 1jns h ALA 34 Ca 0.21 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1jns h ALA 34 Cb 0.41 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1jns h ALA 34 CO 0.01 -0.17 0.61 0.87 0.00 0.00 0.00 179.25 180.57 1jns h LYS 35 N 0.39 1.21 0.07 0.00 1.57 -1.24 -0.73 116.57 117.84 1jns h LYS 35 Ca 0.12 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1jns h LYS 35 Cb -0.02 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.02 1jns h LYS 35 CO -0.04 0.80 -0.04 0.87 -0.57 0.00 0.00 179.45 180.47 1jns h LYS 36 N 1.24 -0.10 0.00 3.15 1.57 -0.95 -3.40 116.57 118.08 1jns h LYS 36 Ca 0.34 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1jns h LYS 36 Cb -0.14 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1jns h LYS 36 CO -0.08 0.45 -1.44 -2.39 -0.57 0.00 0.00 179.45 175.42 1jns n HIS 37 N -4.84 0.00 0.04 -1.35 1.44 -0.44 -4.65 115.22 105.42 1jns n HIS 37 Ca -0.08 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.51 1jns n HIS 37 Cb 0.30 -0.26 -0.07 0.00 0.12 0.00 0.00 29.99 30.07 1jns n HIS 37 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1jns h SER 38 N 0.00 -0.01 -4.93 4.39 4.64 -1.24 -3.44 113.55 112.96 1jns h SER 38 Ca 0.00 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1jns h SER 38 Cb 0.61 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.66 1jns h SER 38 CO 0.00 -0.00 -0.10 0.00 -0.87 0.00 0.00 176.83 175.86 1jns n ILE 39 N -5.09 0.00 -4.49 0.95 3.06 -1.26 -4.79 119.36 107.74 1jns n ILE 39 Ca -0.07 0.00 -0.23 0.00 -2.50 0.00 0.00 62.75 59.95 1jns n ILE 39 Cb 0.03 -0.05 -0.11 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 2.06 0.36 -0.41 0.00 0.11 -1.94 0.43 132.00 132.60 1jns h PRO 41 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1jns h PRO 41 Cb 1.24 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1jns h PRO 41 CO 0.72 0.24 0.00 -1.13 -0.21 0.00 0.00 178.00 177.62 1jns n SER 42 N -4.50 4.15 -0.05 -2.05 3.41 -1.26 -4.29 113.62 109.03 1jns n SER 42 Ca 0.20 -2.65 -0.00 0.00 -0.26 0.00 0.00 58.87 56.15 1jns n SER 42 Cb 0.73 -0.51 -0.00 0.00 -0.26 0.00 0.00 64.21 64.17 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 2.69 -0.00 1.00 5.00 0.00 -0.41 1.05 103.07 112.41 1jns h GLY 43 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1jns h GLY 43 CO 0.21 -0.00 0.64 1.70 0.00 0.00 0.00 176.54 179.10 1jns h LYS 44 N -1.00 1.28 0.00 4.80 1.63 -1.79 -2.01 116.57 119.47 1jns h LYS 44 Ca -0.00 -0.08 -0.32 0.00 -0.85 0.00 0.00 60.65 59.40 1jns h LYS 44 Cb 0.00 -0.29 -0.05 0.00 -0.60 0.00 0.00 32.23 31.29 1jns h LYS 44 CO 0.00 0.84 -2.14 -2.13 -3.45 0.00 0.00 179.45 172.57 1jns n ARG 45 N -4.41 0.47 0.24 1.90 3.00 -1.26 -4.41 116.66 112.20 1jns n ARG 45 Ca 0.11 0.15 0.08 0.00 -0.00 0.00 0.00 57.85 58.19 1jns n ARG 45 Cb 0.01 -1.33 0.60 0.00 0.00 0.00 0.00 32.46 31.75 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 0.52 0.00 0.95 5.14 0.00 0.80 0.20 103.07 110.68 1jns h GLY 46 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1jns h GLY 46 CO -0.18 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.97 1jns n GLY 47 N -1.16 -0.64 2.70 4.60 0.00 0.94 0.27 105.19 111.90 1jns n GLY 47 Ca -0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.98 -2.17 -0.21 1.61 -0.08 0.66 -4.63 116.55 110.76 1jns n ASP 48 Ca 0.15 -2.01 0.13 0.00 -1.51 0.00 0.00 54.79 51.54 1jns n ASP 48 Cb 0.07 1.17 0.30 0.00 2.34 0.00 0.00 41.12 45.00 1jns n ASP 48 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1jns n LEU 49 N 2.30 0.99 0.00 -2.67 4.77 -0.96 -4.80 117.00 116.63 1jns n LEU 49 Ca 0.11 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1jns n LEU 49 Cb 0.64 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1jns n LEU 49 CO -0.07 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1jns n GLY 50 N 1.38 2.25 3.45 -0.72 0.00 -1.26 -4.67 105.19 105.62 1jns n GLY 50 Ca 0.10 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 1.98 0.22 1.61 8.01 -1.26 -2.12 118.70 127.14 1jns s GLU 51 Ca 0.00 -1.03 0.04 0.00 0.01 0.00 0.00 54.97 53.99 1jns s GLU 51 Cb 0.00 -2.15 -0.05 0.00 -4.31 0.00 0.00 34.13 27.62 1jns s GLU 51 CO 0.00 0.53 -0.04 -0.59 0.01 0.00 0.00 175.26 175.17 1jns s PHE 52 N -0.95 1.57 0.00 1.61 -0.12 -0.50 -4.90 117.98 114.69 1jns s PHE 52 Ca 0.15 -0.84 0.00 0.00 -0.05 0.00 0.00 56.93 56.19 1jns s PHE 52 Cb -0.10 -0.88 0.00 0.00 -0.63 0.00 0.00 43.02 41.41 1jns s PHE 52 CO 0.06 0.05 0.00 0.54 -0.05 0.00 0.00 175.22 175.82 1jns n ARG 53 N -0.40 1.63 0.16 1.99 1.74 -1.26 -2.08 116.66 118.44 1jns n ARG 53 Ca -0.06 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.13 1jns n ARG 53 Cb 0.63 0.00 0.57 0.00 -1.02 0.00 0.00 32.46 32.63 1jns n ARG 53 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jns n GLN 54 N -0.51 0.14 -0.42 5.56 10.64 -1.04 -2.36 117.38 129.39 1jns n GLN 54 Ca 0.00 0.61 -0.04 0.00 -1.83 0.00 0.00 57.00 55.74 1jns n GLN 54 Cb 0.00 -1.94 0.11 0.00 -0.86 0.00 0.00 30.24 27.55 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 -1.14 2.59 0.00 2.61 0.00 -1.26 -4.75 105.19 103.23 1jns n GLY 55 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 0.03 0.00 0.00 1.61 0.00 -1.00 -5.15 117.38 112.87 1jns n GLN 56 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.18 1jns n GLN 56 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 30.24 31.05 1jns n GLN 56 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1jns n MET 57 N 0.00 0.00 -3.72 2.61 2.81 -1.25 -4.84 117.12 112.74 1jns n MET 57 Ca 0.00 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.78 1jns n MET 57 Cb 0.00 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.40 1jns n MET 57 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1jns s VAL 58 N 0.00 -0.02 0.27 2.03 0.11 -1.26 -5.04 120.40 116.49 1jns s VAL 58 Ca 0.00 0.09 -0.05 0.00 -2.93 0.00 0.00 61.98 59.08 1jns s VAL 58 Cb 0.00 -0.53 0.43 0.00 -1.53 0.00 0.00 36.38 34.75 1jns s VAL 58 CO 0.00 0.04 1.49 -2.65 -3.33 0.00 0.00 175.10 170.64 1jns n PRO 59 N 3.95 -0.08 -0.34 1.54 -0.01 -1.26 0.11 135.00 138.90 1jns n PRO 59 Ca -0.22 1.47 0.01 0.00 -0.01 0.00 0.00 63.50 64.76 1jns n PRO 59 Cb 0.55 -2.23 0.18 0.00 -0.01 0.00 0.00 33.50 31.99 1jns n PRO 59 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1jns h ALA 60 N 1.90 1.40 -0.84 3.55 0.00 -1.96 -1.59 119.26 121.72 1jns h ALA 60 Ca 0.49 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.36 1jns h ALA 60 Cb 0.82 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1jns h ALA 60 CO -0.96 0.50 0.56 0.35 0.00 0.00 0.00 179.25 179.70 1jns h PHE 61 N 1.19 1.05 -0.28 0.00 3.57 0.31 -1.55 116.94 121.23 1jns h PHE 61 Ca 0.38 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.91 1jns h PHE 61 Cb 0.03 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.40 1jns h PHE 61 CO -0.00 0.66 0.18 0.22 -2.23 0.00 0.00 178.31 177.14 1jns h ASP 62 N 1.13 0.32 -0.59 0.41 1.82 -0.84 0.51 116.42 119.18 1jns h ASP 62 Ca 0.31 -0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.95 1jns h ASP 62 Cb -0.12 -0.08 -0.03 0.00 0.68 0.00 0.00 39.33 39.78 1jns h ASP 62 CO -0.07 0.23 0.39 0.11 -1.61 0.00 0.00 179.24 178.29 1jns h LYS 63 N 0.38 0.76 0.11 0.28 1.57 -1.12 -2.18 116.57 116.37 1jns h LYS 63 Ca 0.10 -0.05 -0.22 0.00 -1.87 0.00 0.00 60.65 58.62 1jns h LYS 63 Cb -0.04 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.10 1jns h LYS 63 CO -0.02 0.50 -1.07 -0.24 -0.57 0.00 0.00 179.45 178.06 1jns h VAL 64 N 0.79 1.26 -0.20 0.50 3.04 -0.85 0.17 116.25 120.96 1jns h VAL 64 Ca 0.22 -2.43 0.06 0.00 -1.01 0.00 0.00 66.70 63.53 1jns h VAL 64 Cb -0.08 2.92 -0.01 0.00 -2.01 0.00 0.00 31.29 32.11 1jns h VAL 64 CO -0.05 0.67 0.27 1.62 -1.01 0.00 0.00 177.57 179.07 1jns h VAL 65 N -0.43 0.33 0.00 1.51 3.04 -0.07 2.56 116.25 123.19 1jns h VAL 65 Ca -0.22 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 1jns h VAL 65 Cb 1.62 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 1jns h VAL 65 CO 0.07 0.00 -0.98 0.33 -1.01 0.00 0.00 177.57 175.98 1jns n PHE 66 N -3.57 0.36 -0.10 3.17 7.35 -0.82 -4.23 117.46 119.63 1jns n PHE 66 Ca 0.02 0.11 -0.24 0.00 -0.76 0.00 0.00 57.45 56.58 1jns n PHE 66 Cb 0.39 -0.52 -0.12 0.00 0.35 0.00 0.00 39.48 39.59 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 -2.05 1.94 -4.75 -2.13 2.88 0.39 -4.88 113.62 105.01 1jns n SER 67 Ca 0.02 0.33 -0.36 0.00 -1.33 0.00 0.00 58.87 57.53 1jns n SER 67 Cb 0.45 -0.87 -0.08 0.00 -0.75 0.00 0.00 64.21 62.95 1jns n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jns s PRO 69 N -0.56 -0.56 1.21 0.00 0.02 -1.26 -4.31 135.00 129.54 1jns s PRO 69 Ca 0.11 0.48 -0.16 0.00 0.02 0.00 0.00 61.00 61.45 1jns s PRO 69 Cb -0.12 -1.63 0.26 0.00 0.02 0.00 0.00 34.50 33.04 1jns s PRO 69 CO 0.02 -3.39 0.72 1.33 -0.33 0.00 0.00 177.00 175.36 1jns n VAL 70 N -4.63 0.00 -4.32 3.83 0.24 -1.26 -2.78 118.33 109.41 1jns n VAL 70 Ca 0.06 -0.38 -0.39 0.00 -2.04 0.00 0.00 64.34 61.58 1jns n VAL 70 Cb 0.57 -0.88 -0.07 0.00 -1.47 0.00 0.00 33.84 31.98 1jns n VAL 70 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1jns n LEU 71 N -4.21 -0.76 -3.47 1.34 4.32 -1.02 -4.84 117.00 108.36 1jns n LEU 71 Ca 0.03 -1.13 -0.28 0.00 -0.02 0.00 0.00 56.01 54.61 1jns n LEU 71 Cb 0.56 -1.49 -0.11 0.00 -1.62 0.00 0.00 43.42 40.76 1jns n LEU 71 CO 0.53 0.09 -0.29 -0.70 -1.22 0.00 0.00 177.39 175.80 1jns s GLU 72 N -6.83 0.93 -0.07 3.23 2.56 -1.12 -5.00 118.70 112.41 1jns s GLU 72 Ca 0.77 -1.94 -0.37 0.00 0.00 0.00 0.00 54.97 53.43 1jns s GLU 72 Cb -0.45 -1.59 -0.15 0.00 2.00 0.00 0.00 34.13 33.94 1jns s GLU 72 CO 0.94 -1.31 1.60 -0.35 -0.56 0.00 0.00 175.26 175.59 1jns n PRO 73 N 3.22 1.43 -4.20 4.30 -0.04 -1.26 -4.60 135.00 133.86 1jns n PRO 73 Ca 0.22 0.52 -0.17 0.00 -0.04 0.00 0.00 63.50 64.03 1jns n PRO 73 Cb 0.43 -2.23 -0.15 0.00 -0.04 0.00 0.00 33.50 31.51 1jns n PRO 73 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1jns s THR 74 N 2.21 0.48 -5.00 0.52 2.01 -0.84 -5.00 115.64 110.01 1jns s THR 74 Ca 0.90 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.67 1jns s THR 74 Cb -0.92 -0.43 0.00 0.00 0.01 0.00 0.00 72.50 71.16 1jns s THR 74 CO 0.53 0.15 0.00 0.61 -0.69 0.00 0.00 174.62 175.22 1jns n GLY 75 N 3.14 -0.11 3.66 4.40 0.00 -1.26 -1.98 105.19 113.04 1jns n GLY 75 Ca -0.15 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.84 -0.22 0.34 1.61 0.04 -1.26 -5.00 135.00 128.67 1jns s PRO 76 Ca 0.00 0.22 0.04 0.00 0.04 0.00 0.00 61.00 61.30 1jns s PRO 76 Cb 0.00 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.82 1jns s PRO 76 CO 0.00 -3.11 0.15 -0.51 0.04 0.00 0.00 177.00 173.57 1jns s LEU 77 N -6.62 1.82 -0.28 -3.56 1.43 0.36 -4.86 118.68 106.98 1jns s LEU 77 Ca 0.68 -1.59 -0.15 0.00 -1.03 0.00 0.00 54.13 52.04 1jns s LEU 77 Cb -0.14 0.07 -0.04 0.00 0.03 0.00 0.00 46.19 46.11 1jns s LEU 77 CO 0.57 -0.88 0.37 -2.28 0.23 0.00 0.00 176.35 174.35 1jns s HIS 78 N -3.45 3.24 0.11 0.29 5.65 -1.26 -0.78 115.29 119.08 1jns s HIS 78 Ca 0.32 0.36 -0.02 0.00 0.25 0.00 0.00 55.06 55.97 1jns s HIS 78 Cb 0.04 -2.58 -0.04 0.00 -1.18 0.00 0.00 32.58 28.83 1jns s HIS 78 CO 0.17 -0.25 0.05 -0.08 -0.65 0.00 0.00 174.74 173.98 1jns s THR 79 N 2.06 0.14 0.25 0.89 -1.32 -0.45 -4.86 115.64 112.35 1jns s THR 79 Ca 0.14 -1.80 -0.06 0.00 -1.21 0.00 0.00 61.69 58.76 1jns s THR 79 Cb -0.16 -1.83 0.26 0.00 -1.51 0.00 0.00 72.50 69.26 1jns s THR 79 CO 0.10 -0.63 1.93 -0.61 -2.21 0.00 0.00 174.62 173.20 1jns h GLN 80 N 2.92 1.33 0.00 7.08 5.75 -2.01 -0.22 115.11 129.96 1jns h GLN 80 Ca -0.34 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.08 1jns h GLN 80 Cb 1.18 -0.30 0.00 0.00 1.07 0.00 0.00 27.48 29.43 1jns h GLN 80 CO 0.60 0.88 0.00 0.74 -2.65 0.00 0.00 178.83 178.40 1jns h PHE 81 N 1.37 0.00 0.00 3.99 -1.00 -2.00 -3.47 116.94 115.83 1jns h PHE 81 Ca 0.37 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.15 1jns h PHE 81 Cb -0.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.40 1jns h PHE 81 CO -0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1jns n GLY 82 N -1.14 0.43 3.63 -1.45 0.00 -0.10 -4.77 105.19 101.79 1jns n GLY 82 Ca -0.02 -1.16 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.16 3.29 -0.31 1.61 1.51 -0.07 -1.34 117.35 121.87 1jns s TYR 83 Ca 0.00 0.61 -0.11 0.00 -1.01 0.00 0.00 57.07 56.56 1jns s TYR 83 Cb 0.00 -2.67 -0.02 0.00 -0.11 0.00 0.00 41.96 39.17 1jns s TYR 83 CO 0.00 -0.22 0.18 -1.01 -1.11 0.00 0.00 175.55 173.39 1jns s HIS 84 N 2.08 3.19 -0.19 2.71 3.76 0.04 -1.39 115.29 125.50 1jns s HIS 84 Ca 0.20 -0.38 -0.05 0.00 -0.15 0.00 0.00 55.06 54.68 1jns s HIS 84 Cb -0.16 -2.39 -0.03 0.00 1.11 0.00 0.00 32.58 31.12 1jns s HIS 84 CO 0.09 -0.39 -0.01 -1.50 -0.85 0.00 0.00 174.74 172.08 1jns s ILE 85 N 1.66 3.94 -0.10 0.60 2.07 -0.90 0.14 121.20 128.61 1jns s ILE 85 Ca 0.05 -0.32 0.04 0.00 -1.41 0.00 0.00 60.65 59.01 1jns s ILE 85 Cb -0.17 -2.77 0.00 0.00 0.13 0.00 0.00 42.46 39.65 1jns s ILE 85 CO 0.08 0.45 -0.24 -0.63 -1.91 0.00 0.00 174.94 172.69 1jns s ILE 86 N 0.80 2.05 -0.20 2.00 1.01 -0.84 -2.25 121.20 123.78 1jns s ILE 86 Ca -0.00 -1.01 -0.09 0.00 0.00 0.00 0.00 60.65 59.54 1jns s ILE 86 Cb -0.14 -1.77 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 1jns s ILE 86 CO 0.02 0.56 0.11 -0.75 0.00 0.00 0.00 174.94 174.88 1jns s LYS 87 N 0.35 4.12 -0.12 2.79 2.20 -0.32 -1.99 119.74 126.78 1jns s LYS 87 Ca -0.19 -0.26 -0.06 0.00 -0.36 0.00 0.00 55.97 55.10 1jns s LYS 87 Cb -0.18 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 1jns s LYS 87 CO 0.09 0.29 0.12 0.08 -0.36 0.00 0.00 175.35 175.57 1jns s VAL 88 N 0.38 5.37 0.21 4.02 1.01 -1.26 -1.87 120.40 128.26 1jns s VAL 88 Ca 0.07 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 1jns s VAL 88 Cb -0.11 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1jns s VAL 88 CO -0.01 0.62 0.18 -0.76 0.00 0.00 0.00 175.10 175.13 1jns s LEU 89 N -1.01 1.04 0.00 3.92 1.43 0.11 -2.42 118.68 121.75 1jns s LEU 89 Ca 0.15 -1.33 0.00 0.00 -1.03 0.00 0.00 54.13 51.92 1jns s LEU 89 Cb -0.12 0.58 0.00 0.00 0.03 0.00 0.00 46.19 46.68 1jns s LEU 89 CO 0.04 -0.89 0.00 -1.22 0.23 0.00 0.00 176.35 174.51 1jns n TYR 90 N -0.29 0.00 -4.99 0.29 4.02 -1.26 -2.35 117.16 112.57 1jns n TYR 90 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 1jns n TYR 90 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.97 1jns n TYR 90 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1jns n ARG 91 N 0.00 0.00 0.00 -0.72 0.63 -1.26 -4.85 116.66 110.46 1jns n ARG 91 Ca 0.00 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.96 1jns n ARG 91 Cb 0.00 0.00 0.18 0.00 0.45 0.00 0.00 32.46 33.09 1jns n ARG 91 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21