#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 0.39 -5.08 0.00 2.10 -1.88 -3.43 116.57 108.66 1jns h LYS 2 Ca 0.00 -0.04 -0.37 0.00 -2.00 0.00 0.00 60.65 58.24 1jns h LYS 2 Cb 0.00 -0.08 -0.21 0.00 -0.90 0.00 0.00 32.23 31.04 1jns h LYS 2 CO 0.00 0.33 -0.76 0.99 -2.00 0.00 0.00 179.45 178.00 1jns s THR 3 N -5.20 0.92 0.09 0.07 2.01 -1.26 -3.62 115.64 108.65 1jns s THR 3 Ca -0.07 -1.23 -0.17 0.00 0.31 0.00 0.00 61.69 60.53 1jns s THR 3 Cb 0.17 -0.92 0.04 0.00 0.01 0.00 0.00 72.50 71.79 1jns s THR 3 CO 0.73 -0.28 0.40 0.00 -0.69 0.00 0.00 174.62 174.78 1jns s ALA 4 N -1.31 -0.96 -0.10 7.40 0.00 -0.95 0.36 121.76 126.20 1jns s ALA 4 Ca -0.05 0.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 1jns s ALA 4 Cb -0.10 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 1jns s ALA 4 CO 0.02 -0.56 0.06 0.00 0.00 0.00 0.00 175.76 175.27 1jns s ALA 5 N -3.24 3.52 -0.15 0.00 0.00 -1.08 -1.24 121.76 119.57 1jns s ALA 5 Ca -0.01 -0.74 -0.08 0.00 0.00 0.00 0.00 51.96 51.13 1jns s ALA 5 Cb 0.01 -1.69 0.05 0.00 0.00 0.00 0.00 23.12 21.49 1jns s ALA 5 CO -0.08 0.58 0.35 0.00 0.00 0.00 0.00 175.76 176.61 1jns s ALA 6 N -0.87 -0.88 -0.01 0.00 0.00 -1.00 -0.34 121.76 118.65 1jns s ALA 6 Ca 0.13 1.32 -0.02 0.00 0.00 0.00 0.00 51.96 53.40 1jns s ALA 6 Cb -0.12 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 1jns s ALA 6 CO 0.03 -0.24 0.17 -0.51 0.00 0.00 0.00 175.76 175.21 1jns s LEU 7 N 1.26 4.29 0.05 0.00 1.43 -0.86 -4.01 118.68 120.84 1jns s LEU 7 Ca -0.09 0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 1jns s LEU 7 Cb -0.09 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 1jns s LEU 7 CO -0.10 0.26 -0.10 -1.00 0.23 0.00 0.00 176.35 175.64 1jns s HIS 8 N -1.31 0.83 -0.07 0.29 3.76 -1.15 -2.01 115.29 115.64 1jns s HIS 8 Ca 0.27 -0.49 0.02 0.00 -0.15 0.00 0.00 55.06 54.71 1jns s HIS 8 Cb -0.13 -0.48 0.01 0.00 1.11 0.00 0.00 32.58 33.10 1jns s HIS 8 CO 0.18 -0.04 -0.12 0.42 -0.85 0.00 0.00 174.74 174.33 1jns s ILE 9 N -1.37 1.13 -0.26 0.60 1.01 -0.36 -3.60 121.20 118.35 1jns s ILE 9 Ca -0.08 -0.47 -0.07 0.00 0.00 0.00 0.00 60.65 60.03 1jns s ILE 9 Cb -0.10 -1.03 -0.02 0.00 0.01 0.00 0.00 42.46 41.31 1jns s ILE 9 CO 0.01 0.35 0.07 -0.22 0.00 0.00 0.00 174.94 175.15 1jns s LEU 10 N 0.68 3.48 -0.12 2.97 0.20 -1.26 -2.22 118.68 122.41 1jns s LEU 10 Ca -0.14 -0.27 0.01 0.00 0.69 0.00 0.00 54.13 54.41 1jns s LEU 10 Cb -0.16 -1.92 -0.01 0.00 -0.43 0.00 0.00 46.19 43.67 1jns s LEU 10 CO 0.04 -0.06 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.20 1jns s VAL 11 N 1.60 2.91 0.14 1.68 1.01 -0.67 -4.69 120.40 122.37 1jns s VAL 11 Ca 0.06 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 1jns s VAL 11 Cb -0.15 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 1jns s VAL 11 CO 0.03 0.54 1.47 0.50 0.00 0.00 0.00 175.10 177.64 1jns h LYS 12 N 6.56 0.94 -5.86 2.72 3.64 -1.91 -1.40 116.57 121.26 1jns h LYS 12 Ca -0.27 -0.51 -0.67 0.00 -1.27 0.00 0.00 60.65 57.93 1jns h LYS 12 Cb 1.21 0.02 -0.19 0.00 -0.41 0.00 0.00 32.23 32.87 1jns h LYS 12 CO 0.54 1.16 -0.67 -1.21 -2.27 0.00 0.00 179.45 177.01 1jns s GLU 13 N -4.37 3.07 0.22 1.90 2.02 -1.26 -4.69 118.70 115.59 1jns s GLU 13 Ca -0.11 -0.50 -0.09 0.00 0.02 0.00 0.00 54.97 54.29 1jns s GLU 13 Cb 0.11 -2.74 0.18 0.00 0.10 0.00 0.00 34.13 31.78 1jns s GLU 13 CO 0.88 0.56 1.89 1.49 0.02 0.00 0.00 175.26 180.11 1jns h GLU 14 N 5.62 1.06 -0.91 1.61 4.81 -1.98 -0.01 114.58 124.77 1jns h GLU 14 Ca -0.44 -0.06 0.08 0.00 -0.13 0.00 0.00 59.36 58.80 1jns h GLU 14 Cb 1.18 -0.24 -0.07 0.00 0.63 0.00 0.00 28.75 30.25 1jns h GLU 14 CO 0.56 0.70 0.57 0.87 -0.73 0.00 0.00 179.01 180.98 1jns h LYS 15 N 1.09 0.96 -0.50 1.92 1.57 -1.99 0.84 116.57 120.47 1jns h LYS 15 Ca 0.30 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.89 1jns h LYS 15 Cb -0.13 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 31.95 1jns h LYS 15 CO -0.06 0.64 -0.19 1.25 -0.57 0.00 0.00 179.45 180.51 1jns h LEU 16 N 0.99 1.03 -0.95 2.94 6.46 -1.78 -1.49 115.31 122.52 1jns h LEU 16 Ca 0.41 -0.38 0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1jns h LEU 16 Cb 0.26 -0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 39.86 1jns h LEU 16 CO -0.20 1.18 0.63 0.00 -0.62 0.00 0.00 178.44 179.43 1jns h ALA 17 N 0.89 1.20 -0.80 1.25 0.00 1.00 0.19 119.26 122.99 1jns h ALA 17 Ca 0.12 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1jns h ALA 17 Cb 0.77 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1jns h ALA 17 CO 0.06 0.59 0.53 -0.07 0.00 0.00 0.00 179.25 180.36 1jns h LEU 18 N 1.28 0.92 -1.11 0.00 4.07 0.10 0.93 115.31 121.50 1jns h LEU 18 Ca 0.35 -0.03 0.01 0.00 0.08 0.00 0.00 57.88 58.29 1jns h LEU 18 Cb -0.14 -0.23 -0.05 0.00 1.08 0.00 0.00 40.66 41.32 1jns h LEU 18 CO -0.08 0.67 0.60 -0.78 -1.08 0.00 0.00 178.44 177.77 1jns h ASP 19 N 1.09 1.04 0.04 -0.43 1.82 -0.14 -1.28 116.42 118.56 1jns h ASP 19 Ca 0.29 -0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.90 1jns h ASP 19 Cb -0.12 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 39.63 1jns h ASP 19 CO -0.06 0.76 -0.02 0.17 -1.61 0.00 0.00 179.24 178.47 1jns h LEU 20 N 1.23 -0.04 -0.08 2.28 8.10 0.16 0.10 115.31 127.07 1jns h LEU 20 Ca 0.33 -0.04 0.00 0.00 0.11 0.00 0.00 57.88 58.29 1jns h LEU 20 Cb -0.14 0.01 -0.00 0.00 -0.44 0.00 0.00 40.66 40.08 1jns h LEU 20 CO -0.07 0.01 0.05 -0.07 -4.11 0.00 0.00 178.44 174.25 1jns h LEU 21 N -0.09 0.09 -0.97 0.17 3.38 -0.53 -2.39 115.31 114.96 1jns h LEU 21 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jns h LEU 21 Cb 0.08 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1jns h LEU 21 CO 0.01 0.06 0.61 -0.33 0.09 0.00 0.00 178.44 178.88 1jns h GLU 22 N 0.10 1.30 -0.88 1.13 5.08 -1.14 -2.82 114.58 117.35 1jns h GLU 22 Ca 0.03 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1jns h GLU 22 Cb -0.01 -0.28 -0.04 0.00 0.50 0.00 0.00 28.75 28.91 1jns h GLU 22 CO -0.01 0.89 0.58 0.37 -1.00 0.00 0.00 179.01 179.84 1jns h GLN 23 N 1.33 1.15 -0.16 2.33 5.75 -0.31 0.13 115.11 125.34 1jns h GLN 23 Ca 0.35 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.77 1jns h GLN 23 Cb -0.10 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.18 1jns h GLN 23 CO -0.07 0.76 0.06 0.82 -2.65 0.00 0.00 178.83 177.75 1jns h ILE 24 N 1.19 1.17 -0.43 2.39 2.04 -1.20 0.74 117.51 123.40 1jns h ILE 24 Ca 0.32 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1jns h ILE 24 Cb -0.14 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1jns h ILE 24 CO -0.07 0.16 0.22 0.11 0.00 0.00 0.00 178.15 178.57 1jns h LYS 25 N 0.09 0.61 0.94 2.37 1.79 -1.38 2.20 116.57 123.20 1jns h LYS 25 Ca 0.05 -0.08 -0.05 0.00 -2.18 0.00 0.00 60.65 58.39 1jns h LYS 25 Cb 0.20 -0.11 0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1jns h LYS 25 CO -0.00 0.52 -0.45 -0.97 -1.08 0.00 0.00 179.45 177.46 1jns h ASN 26 N 0.56 -1.07 0.00 0.86 -1.24 -0.50 -3.39 115.58 110.79 1jns h ASN 26 Ca 0.15 0.04 -0.31 0.00 0.71 0.00 0.00 56.30 56.89 1jns h ASN 26 Cb 0.10 0.28 -0.05 0.00 0.73 0.00 0.00 38.32 39.37 1jns h ASN 26 CO -0.02 -0.76 -2.08 0.61 -1.29 0.00 0.00 177.43 173.88 1jns n GLY 27 N -1.63 -0.29 0.00 1.57 0.00 0.25 -5.08 105.19 100.01 1jns n GLY 27 Ca -0.16 -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 -3.53 -0.07 0.00 4.61 0.00 0.74 -4.96 120.51 117.31 1jns n ALA 28 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1jns n ALA 28 Cb 0.81 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.19 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 -1.92 0.00 -0.17 0.00 8.00 -1.26 -4.88 116.55 116.32 1jns n ASP 29 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 1jns n ASP 29 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 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 0.63 0.35 1.24 0.04 -1.98 -1.52 116.94 115.70 1jns h PHE 30 Ca 0.00 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1jns h PHE 30 Cb 0.00 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 37.94 1jns h PHE 30 CO 0.00 0.40 -0.17 0.78 -0.60 0.00 0.00 178.31 178.72 1jns h GLY 31 N 0.68 -0.49 1.09 -1.45 0.00 -1.97 -0.16 103.07 100.78 1jns h GLY 31 Ca 0.18 0.18 -0.09 0.00 0.00 0.00 0.00 47.33 47.60 1jns h GLY 31 CO -0.04 -0.18 0.03 0.50 0.00 0.00 0.00 176.54 176.85 1jns h LYS 32 N -0.73 1.09 -0.78 4.80 1.57 -1.96 -2.49 116.57 118.08 1jns h LYS 32 Ca -0.05 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.34 1jns h LYS 32 Cb 0.50 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1jns h LYS 32 CO 0.08 1.05 0.27 -0.07 -0.57 0.00 0.00 179.45 180.21 1jns h LEU 33 N 1.00 1.10 -0.19 2.94 3.38 -1.31 -2.64 115.31 119.60 1jns h LEU 33 Ca 0.18 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1jns h LEU 33 Cb 0.53 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1jns h LEU 33 CO 0.03 1.00 -0.09 0.00 0.09 0.00 0.00 178.44 179.47 1jns h ALA 34 N 1.15 0.07 0.20 1.53 0.00 -0.58 -0.17 119.26 121.46 1jns h ALA 34 Ca 0.25 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1jns h ALA 34 Cb 0.27 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1jns h ALA 34 CO -0.01 -0.52 -0.10 -0.22 0.00 0.00 0.00 179.25 178.40 1jns h LYS 35 N -0.07 -0.26 0.01 0.00 3.64 -1.29 0.54 116.57 119.14 1jns h LYS 35 Ca 0.10 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1jns h LYS 35 Cb 0.22 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1jns h LYS 35 CO -0.24 -0.17 -0.00 -0.22 -2.27 0.00 0.00 179.45 176.55 1jns h LYS 36 N -0.27 -0.01 -0.35 1.90 3.64 -1.20 -2.84 116.57 117.45 1jns h LYS 36 Ca -0.03 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 1jns h LYS 36 Cb 0.21 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1jns h LYS 36 CO 0.04 0.04 -0.46 0.45 -2.27 0.00 0.00 179.45 177.26 1jns h HIS 37 N -0.06 1.13 -0.37 1.91 3.86 -1.02 -3.28 115.15 117.32 1jns h HIS 37 Ca -0.00 -0.37 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 1jns h HIS 37 Cb 0.06 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 1jns h HIS 37 CO -0.06 1.20 0.24 1.03 0.86 0.00 0.00 177.93 181.20 1jns h SER 38 N 0.73 0.42 -4.56 2.45 0.87 -0.84 -3.44 113.55 109.18 1jns h SER 38 Ca 0.04 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1jns h SER 38 Cb 1.06 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1jns h SER 38 CO 0.11 0.31 0.00 0.00 -0.53 0.00 0.00 176.83 176.72 1jns n ILE 39 N -4.83 0.00 -4.35 2.23 3.06 -1.08 -4.78 119.36 109.61 1jns n ILE 39 Ca -0.00 0.00 -0.18 0.00 -2.50 0.00 0.00 62.75 60.07 1jns n ILE 39 Cb 0.03 0.00 -0.10 0.00 0.54 0.00 0.00 39.64 40.10 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 2.43 0.00 -0.61 0.00 0.13 -2.03 2.01 132.00 133.93 1jns h PRO 41 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1jns h PRO 41 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1jns h PRO 41 CO 0.65 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.29 1jns n SER 42 N -3.94 5.46 0.02 1.44 3.41 -1.26 -4.14 113.62 114.60 1jns n SER 42 Ca 0.22 -2.78 -0.09 0.00 -0.26 0.00 0.00 58.87 55.96 1jns n SER 42 Cb 1.18 -0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 64.41 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 4.10 -0.16 1.02 5.00 0.00 0.29 2.24 103.07 115.56 1jns h GLY 43 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1jns h GLY 43 CO 0.42 -0.06 0.55 1.70 0.00 0.00 0.00 176.54 179.14 1jns h LYS 44 N -0.93 1.28 0.00 4.80 3.64 -1.73 -1.97 116.57 121.66 1jns h LYS 44 Ca -0.02 -0.13 -0.31 0.00 -1.27 0.00 0.00 60.65 58.93 1jns h LYS 44 Cb 0.51 -0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 1jns h LYS 44 CO 0.03 0.91 -2.15 -2.13 -2.27 0.00 0.00 179.45 173.83 1jns n ARG 45 N -4.35 0.50 0.11 1.90 3.00 -1.24 -4.32 116.66 112.26 1jns n ARG 45 Ca 0.10 0.13 -0.02 0.00 -0.00 0.00 0.00 57.85 58.06 1jns n ARG 45 Cb 0.07 -1.39 0.21 0.00 0.00 0.00 0.00 32.46 31.35 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 1.25 0.19 0.91 5.14 0.00 0.34 -1.44 103.07 109.47 1jns h GLY 46 Ca -0.46 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.67 1jns h GLY 46 CO -0.10 0.18 0.00 0.61 0.00 0.00 0.00 176.54 177.23 1jns n GLY 47 N -0.05 -0.78 2.70 4.60 0.00 0.57 -2.92 105.19 109.31 1jns n GLY 47 Ca -0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.96 -2.08 0.09 1.61 -0.08 -0.68 -4.36 116.55 110.10 1jns n ASP 48 Ca 0.17 -1.93 0.13 0.00 -1.51 0.00 0.00 54.79 51.64 1jns n ASP 48 Cb 0.08 1.12 0.33 0.00 2.34 0.00 0.00 41.12 44.98 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 2.28 0.80 0.00 -2.67 4.77 -0.63 -4.69 117.00 116.86 1jns n LEU 49 Ca 0.10 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1jns n LEU 49 Cb 0.64 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1jns n LEU 49 CO -0.07 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.45 1jns n GLY 50 N 1.31 0.70 3.74 -0.72 0.00 -1.26 -4.90 105.19 104.06 1jns n GLY 50 Ca 0.05 -1.24 -0.23 0.00 0.00 0.00 0.00 46.02 44.60 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 2.65 0.31 1.61 2.02 -1.26 -2.38 118.70 121.65 1jns s GLU 51 Ca 0.00 -1.15 0.06 0.00 0.02 0.00 0.00 54.97 53.90 1jns s GLU 51 Cb 0.00 -2.42 -0.03 0.00 0.10 0.00 0.00 34.13 31.78 1jns s GLU 51 CO 0.00 0.41 0.25 -0.06 0.02 0.00 0.00 175.26 175.88 1jns s PHE 52 N -2.09 1.67 0.13 1.61 0.40 -0.37 -4.92 117.98 114.41 1jns s PHE 52 Ca 0.31 -1.62 -0.12 0.00 -0.60 0.00 0.00 56.93 54.90 1jns s PHE 52 Cb -0.08 -0.69 0.04 0.00 0.51 0.00 0.00 43.02 42.80 1jns s PHE 52 CO 0.22 -0.83 0.60 2.89 0.70 0.00 0.00 175.22 178.79 1jns n ARG 53 N -0.57 0.43 0.00 0.44 1.85 -1.26 -2.24 116.66 115.31 1jns n ARG 53 Ca 0.07 -0.95 0.00 0.00 -1.00 0.00 0.00 57.85 55.97 1jns n ARG 53 Cb 0.63 1.26 0.00 0.00 -1.05 0.00 0.00 32.46 33.30 1jns n ARG 53 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1jns n GLN 54 N -0.42 0.00 0.00 2.89 6.02 -1.24 -3.79 117.38 120.85 1jns n GLN 54 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1jns n GLN 54 Cb 0.35 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.61 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 -1.66 2.55 1.08 0.00 -1.26 -4.68 105.19 101.21 1jns n GLY 55 Ca 0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.52 -0.13 1.61 1.13 -1.25 -4.82 117.38 112.39 1jns n GLN 56 Ca 0.00 1.18 -0.08 0.00 -1.94 0.00 0.00 57.00 56.16 1jns n GLN 56 Cb 0.00 -5.65 0.00 0.00 0.11 0.00 0.00 30.24 24.71 1jns n GLN 56 CO 0.00 0.00 0.00 1.98 -1.44 0.00 0.00 177.06 177.60 1jns h MET 57 N 0.00 0.55 -5.81 -1.09 4.05 -1.93 -3.42 114.93 107.29 1jns h MET 57 Ca -0.45 -0.03 -0.73 0.00 -0.28 0.00 0.00 59.70 58.20 1jns h MET 57 Cb 1.37 -0.12 0.06 0.00 -0.80 0.00 0.00 31.60 32.11 1jns h MET 57 CO 0.62 0.37 -0.10 1.55 0.23 0.00 0.00 176.91 179.57 1jns n VAL 58 N -4.80 0.53 0.09 -5.77 3.14 -1.26 -4.78 118.33 105.48 1jns n VAL 58 Ca 0.01 -0.13 -0.12 0.00 -2.96 0.00 0.00 64.34 61.14 1jns n VAL 58 Cb 0.02 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.75 1jns n VAL 58 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1jns h PRO 59 N 2.37 -0.31 -0.88 1.45 0.13 -1.99 -2.95 132.00 129.82 1jns h PRO 59 Ca -0.43 0.02 0.24 0.00 -0.87 0.00 0.00 66.00 64.95 1jns h PRO 59 Cb 1.39 0.07 -0.14 0.00 0.13 0.00 0.00 31.00 32.44 1jns h PRO 59 CO 0.61 -0.21 0.22 0.00 -0.23 0.00 0.00 178.00 178.39 1jns h ALA 60 N 0.54 1.26 -0.84 -0.56 0.00 -1.87 0.54 119.26 118.33 1jns h ALA 60 Ca 0.03 0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1jns h ALA 60 Cb 0.35 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1jns h ALA 60 CO -0.11 -0.47 0.56 0.35 0.00 0.00 0.00 179.25 179.57 1jns h PHE 61 N 0.19 1.06 -0.22 0.00 3.04 -1.84 -2.49 116.94 116.68 1jns h PHE 61 Ca 0.55 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 62.34 1jns h PHE 61 Cb 1.12 -0.36 -0.00 0.00 2.56 0.00 0.00 35.95 39.27 1jns h PHE 61 CO -0.28 0.66 -0.60 0.22 -2.02 0.00 0.00 178.31 176.30 1jns h ASP 62 N 1.14 0.83 -0.25 0.41 1.82 -0.12 -3.23 116.42 117.02 1jns h ASP 62 Ca 0.31 -0.47 0.05 0.00 -0.39 0.00 0.00 57.03 56.53 1jns h ASP 62 Cb -0.13 -0.24 -0.05 0.00 0.68 0.00 0.00 39.33 39.59 1jns h ASP 62 CO -0.07 1.24 -0.06 0.50 -1.61 0.00 0.00 179.24 179.24 1jns h LYS 63 N 0.55 0.00 -0.11 0.28 3.64 -0.00 -0.59 116.57 120.33 1jns h LYS 63 Ca -0.00 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1jns h LYS 63 Cb 1.19 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1jns h LYS 63 CO 0.12 0.00 -0.11 -0.24 -2.27 0.00 0.00 179.45 176.95 1jns h VAL 64 N 0.00 1.36 -0.18 2.00 3.04 -1.59 2.12 116.25 123.00 1jns h VAL 64 Ca 0.12 -1.27 0.05 0.00 -1.01 0.00 0.00 66.70 64.59 1jns h VAL 64 Cb 0.18 1.95 -0.01 0.00 -2.01 0.00 0.00 31.29 31.40 1jns h VAL 64 CO -0.25 0.36 0.17 1.62 -1.01 0.00 0.00 177.57 178.46 1jns h VAL 65 N -0.12 0.62 0.00 1.51 3.04 -1.56 1.42 116.25 121.15 1jns h VAL 65 Ca 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 1jns h VAL 65 Cb 0.63 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 1jns h VAL 65 CO 0.03 0.00 -0.73 0.33 -1.01 0.00 0.00 177.57 176.19 1jns n PHE 66 N -4.04 0.08 -0.06 3.17 7.35 -0.24 -4.14 117.46 119.58 1jns n PHE 66 Ca 0.02 0.02 -0.22 0.00 -0.76 0.00 0.00 57.45 56.51 1jns n PHE 66 Cb 0.30 -0.25 -0.13 0.00 0.35 0.00 0.00 39.48 39.75 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 -1.63 2.00 -4.04 -2.13 2.88 0.71 -4.97 113.62 106.45 1jns n SER 67 Ca 0.04 0.28 -0.12 0.00 -1.33 0.00 0.00 58.87 57.74 1jns n SER 67 Cb 0.36 -0.87 -0.11 0.00 -0.75 0.00 0.00 64.21 62.84 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 1.50 -1.67 -0.92 0.00 -0.04 -1.26 -4.16 135.00 128.45 1jns n PRO 69 Ca -0.23 -1.92 -0.32 0.00 -0.04 0.00 0.00 63.50 60.98 1jns n PRO 69 Cb 0.55 -1.39 0.15 0.00 -0.04 0.00 0.00 33.50 32.77 1jns n PRO 69 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1jns s VAL 70 N -3.61 2.01 -1.36 0.52 0.11 -1.26 -2.97 120.40 113.83 1jns s VAL 70 Ca 0.72 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.68 1jns s VAL 70 Cb -0.03 -2.24 0.01 0.00 -1.53 0.00 0.00 36.38 32.59 1jns s VAL 70 CO 0.52 -0.00 1.19 0.18 -3.33 0.00 0.00 175.10 173.65 1jns n LEU 71 N -3.72 -3.41 -3.35 2.54 4.32 0.13 -4.97 117.00 108.54 1jns n LEU 71 Ca 0.13 -0.54 -0.11 0.00 -0.02 0.00 0.00 56.01 55.47 1jns n LEU 71 Cb 0.51 -3.04 -0.08 0.00 -1.62 0.00 0.00 43.42 39.19 1jns n LEU 71 CO 0.49 0.66 -0.09 -1.61 -1.22 0.00 0.00 177.39 175.61 1jns s GLU 72 N -6.32 0.36 0.23 3.23 0.41 -1.16 -5.02 118.70 110.44 1jns s GLU 72 Ca 0.59 0.24 -0.30 0.00 -0.41 0.00 0.00 54.97 55.08 1jns s GLU 72 Cb -0.26 -0.49 -0.10 0.00 -1.78 0.00 0.00 34.13 31.50 1jns s GLU 72 CO 0.73 -0.86 1.38 -1.25 -0.49 0.00 0.00 175.26 174.77 1jns s PRO 73 N 2.50 4.32 0.01 0.39 0.04 -1.26 -4.12 135.00 136.88 1jns s PRO 73 Ca 0.11 2.20 -0.00 0.00 0.04 0.00 0.00 61.00 63.34 1jns s PRO 73 Cb -0.14 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 1jns s PRO 73 CO -0.24 -0.34 -0.02 0.99 0.04 0.00 0.00 177.00 177.43 1jns s THR 74 N -0.03 0.08 -1.43 1.26 2.01 -0.77 -4.99 115.64 111.77 1jns s THR 74 Ca 0.58 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.92 1jns s THR 74 Cb -0.40 -0.20 0.00 0.00 0.01 0.00 0.00 72.50 71.92 1jns s THR 74 CO 0.42 -0.36 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 1jns n GLY 75 N 2.01 0.46 3.76 4.40 0.00 -1.26 -1.14 105.19 113.42 1jns n GLY 75 Ca -0.21 -2.19 -0.41 0.00 0.00 0.00 0.00 46.02 43.22 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 -0.57 4.55 0.55 1.61 0.04 -1.26 -5.00 135.00 134.91 1jns s PRO 76 Ca 0.00 1.91 0.01 0.00 0.04 0.00 0.00 61.00 62.96 1jns s PRO 76 Cb 0.00 -3.17 0.03 0.00 0.04 0.00 0.00 34.50 31.40 1jns s PRO 76 CO 0.00 0.07 0.77 -0.51 0.04 0.00 0.00 177.00 177.37 1jns s LEU 77 N -1.34 3.30 -0.28 -3.56 1.43 0.72 -4.76 118.68 114.19 1jns s LEU 77 Ca 0.47 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.49 1jns s LEU 77 Cb -0.34 -2.91 -0.05 0.00 0.03 0.00 0.00 46.19 42.93 1jns s LEU 77 CO 0.43 -1.11 0.19 -2.28 0.23 0.00 0.00 176.35 173.81 1jns s HIS 78 N -2.76 3.22 0.15 0.29 5.65 -1.26 -0.59 115.29 119.99 1jns s HIS 78 Ca 0.56 0.07 -0.03 0.00 0.25 0.00 0.00 55.06 55.92 1jns s HIS 78 Cb -0.10 -2.38 -0.03 0.00 -1.18 0.00 0.00 32.58 28.88 1jns s HIS 78 CO 0.39 -0.19 0.12 -0.08 -0.65 0.00 0.00 174.74 174.33 1jns s THR 79 N 1.75 0.07 0.39 0.89 -1.32 -0.81 -4.81 115.64 111.81 1jns s THR 79 Ca 0.07 -1.83 0.06 0.00 -1.21 0.00 0.00 61.69 58.77 1jns s THR 79 Cb -0.16 -2.11 0.27 0.00 -1.51 0.00 0.00 72.50 68.99 1jns s THR 79 CO 0.11 -0.33 2.04 0.06 -2.21 0.00 0.00 174.62 174.29 1jns h GLN 80 N 2.75 0.63 0.00 7.08 3.07 -2.02 -0.44 115.11 126.18 1jns h GLN 80 Ca -0.34 -0.04 -0.00 0.00 0.09 0.00 0.00 58.65 58.36 1jns h GLN 80 Cb 1.21 -0.14 -0.00 0.00 0.08 0.00 0.00 27.48 28.63 1jns h GLN 80 CO 0.55 0.42 -0.00 0.74 0.09 0.00 0.00 178.83 180.63 1jns h PHE 81 N 0.65 0.00 0.00 0.06 0.04 -2.00 -3.48 116.94 112.21 1jns h PHE 81 Ca 0.18 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.95 1jns h PHE 81 Cb -0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.08 1jns h PHE 81 CO -0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1jns n GLY 82 N -1.41 0.48 3.61 -1.45 0.00 -0.17 -4.93 105.19 101.32 1jns n GLY 82 Ca -0.03 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.95 3.26 -0.28 1.61 2.02 -0.53 -1.92 117.35 120.58 1jns s TYR 83 Ca 0.00 0.37 -0.03 0.00 -0.37 0.00 0.00 57.07 57.04 1jns s TYR 83 Cb 0.00 -2.51 0.03 0.00 -0.40 0.00 0.00 41.96 39.08 1jns s TYR 83 CO 0.00 -0.17 -0.01 -1.01 -1.57 0.00 0.00 175.55 172.79 1jns s HIS 84 N 1.85 3.14 -0.12 2.71 3.76 0.25 -1.68 115.29 125.20 1jns s HIS 84 Ca 0.13 -1.50 -0.02 0.00 -0.15 0.00 0.00 55.06 53.53 1jns s HIS 84 Cb -0.16 -2.12 -0.03 0.00 1.11 0.00 0.00 32.58 31.38 1jns s HIS 84 CO 0.09 -0.71 -0.05 -1.50 -0.85 0.00 0.00 174.74 171.72 1jns s ILE 85 N 1.35 3.78 0.00 0.60 2.07 -0.94 0.26 121.20 128.32 1jns s ILE 85 Ca -0.01 -0.42 0.01 0.00 -1.41 0.00 0.00 60.65 58.82 1jns s ILE 85 Cb -0.18 -2.61 -0.01 0.00 0.13 0.00 0.00 42.46 39.80 1jns s ILE 85 CO -0.02 0.54 -0.03 -0.63 -1.91 0.00 0.00 174.94 172.89 1jns s ILE 86 N -0.11 0.20 0.01 2.00 1.01 -0.29 -1.22 121.20 122.80 1jns s ILE 86 Ca 0.02 -0.27 0.08 0.00 0.00 0.00 0.00 60.65 60.48 1jns s ILE 86 Cb -0.13 -0.21 -0.02 0.00 0.01 0.00 0.00 42.46 42.11 1jns s ILE 86 CO 0.03 -0.05 -0.25 -1.59 0.00 0.00 0.00 174.94 173.08 1jns s LYS 87 N -0.34 2.00 -0.16 2.79 -2.85 -0.85 -1.84 119.74 118.49 1jns s LYS 87 Ca -0.02 -1.00 -0.04 0.00 -1.00 0.00 0.00 55.97 53.91 1jns s LYS 87 Cb -0.03 -2.04 -0.03 0.00 -2.06 0.00 0.00 37.83 33.68 1jns s LYS 87 CO -0.00 0.54 -0.02 0.08 0.10 0.00 0.00 175.35 176.05 1jns s VAL 88 N -0.71 4.09 0.05 1.79 1.01 -1.26 -2.04 120.40 123.33 1jns s VAL 88 Ca 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1jns s VAL 88 Cb -0.10 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1jns s VAL 88 CO 0.01 0.49 0.02 0.18 0.00 0.00 0.00 175.10 175.80 1jns n LEU 89 N 3.52 0.00 0.00 3.92 4.77 0.53 0.17 117.00 129.92 1jns n LEU 89 Ca -0.17 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 1jns n LEU 89 Cb 0.52 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1jns n LEU 89 CO 0.33 -0.18 0.00 -1.22 -1.33 0.00 0.00 177.39 174.99 1jns n TYR 90 N -0.42 0.00 -3.40 -1.77 4.01 -1.26 -2.64 117.16 111.69 1jns n TYR 90 Ca -0.01 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.56 1jns n TYR 90 Cb 0.06 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.18 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 0.00 -6.54 0.00 -0.72 0.63 -1.25 -4.83 116.66 103.95 1jns n ARG 91 Ca 0.00 0.81 0.15 0.00 -0.92 0.00 0.00 57.85 57.90 1jns n ARG 91 Cb 0.00 -5.74 0.81 0.00 0.45 0.00 0.00 32.46 27.98 1jns n ARG 91 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41