#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jn6 n PRO 2 N 0.00 0.10 -1.07 0.03 -0.02 -1.26 -4.96 135.00 127.82 2jn6 n PRO 2 Ca 0.00 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2jn6 n PRO 2 Cb 0.00 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 2jn6 n PRO 2 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2jn6 n THR 3 N -1.95 -3.05 -3.59 3.45 -1.04 -1.26 -4.99 114.28 101.85 2jn6 n THR 3 Ca 0.00 1.34 -0.29 0.00 -2.04 0.00 0.00 64.05 63.06 2jn6 n THR 3 Cb 0.08 -1.97 -0.15 0.00 -1.82 0.00 0.00 70.33 66.47 2jn6 n THR 3 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2jn6 s LYS 4 N -4.68 0.33 0.19 -2.82 2.47 -1.26 -5.12 119.74 108.86 2jn6 s LYS 4 Ca 0.00 -0.68 0.03 0.00 -1.56 0.00 0.00 55.97 53.76 2jn6 s LYS 4 Cb 0.00 -1.39 -0.05 0.00 -1.46 0.00 0.00 37.83 34.93 2jn6 s LYS 4 CO 0.00 -1.01 -0.02 0.99 0.16 0.00 0.00 175.35 175.47 2jn6 s THR 5 N 1.97 0.91 0.33 3.43 2.01 -1.26 -5.17 115.64 117.86 2jn6 s THR 5 Ca 0.09 -2.02 -0.04 0.00 0.31 0.00 0.00 61.69 60.04 2jn6 s THR 5 Cb -0.16 -2.17 0.00 0.00 0.01 0.00 0.00 72.50 70.18 2jn6 s THR 5 CO -0.34 -0.46 0.48 -0.72 -0.69 0.00 0.00 174.62 172.90 2jn6 s TYR 6 N -3.50 0.97 -0.12 4.92 -0.85 -1.26 -5.15 117.35 112.36 2jn6 s TYR 6 Ca 0.25 -1.23 -0.12 0.00 -0.52 0.00 0.00 57.07 55.45 2jn6 s TYR 6 Cb 0.05 -0.04 -0.05 0.00 0.38 0.00 0.00 41.96 42.31 2jn6 s TYR 6 CO 0.05 -1.13 0.26 -1.12 -1.52 0.00 0.00 175.55 172.10 2jn6 s SER 7 N -3.21 6.48 0.39 -0.18 0.01 -1.26 -4.97 113.70 110.96 2jn6 s SER 7 Ca 0.29 0.56 0.19 0.00 1.31 0.00 0.00 55.95 58.31 2jn6 s SER 7 Cb -0.00 -2.16 0.79 0.00 0.21 0.00 0.00 66.02 64.85 2jn6 s SER 7 CO 0.19 0.23 1.79 -0.33 0.41 0.00 0.00 173.24 175.52 2jn6 h GLU 8 N 5.88 0.00 -0.12 12.44 5.08 -2.01 -2.34 114.58 133.51 2jn6 h GLU 8 Ca -0.46 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.91 2jn6 h GLU 8 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2jn6 h GLU 8 CO 0.69 0.34 0.08 1.49 -1.00 0.00 0.00 179.01 180.61 2jn6 h GLU 9 N 0.00 0.09 -0.66 2.33 4.57 -1.99 -1.45 114.58 117.47 2jn6 h GLU 9 Ca -0.00 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2jn6 h GLU 9 Cb 0.79 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.33 2jn6 h GLU 9 CO 0.04 0.06 0.32 0.35 -1.18 0.00 0.00 179.01 178.60 2jn6 h PHE 10 N 0.09 0.95 -0.69 0.92 3.57 -1.83 -0.80 116.94 119.14 2jn6 h PHE 10 Ca 0.05 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 2jn6 h PHE 10 Cb 0.09 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 2jn6 h PHE 10 CO -0.00 0.71 0.15 0.87 -2.23 0.00 0.00 178.31 177.81 2jn6 h LYS 11 N 0.91 1.10 -0.91 1.11 1.57 -1.37 -0.80 116.57 118.19 2jn6 h LYS 11 Ca 0.23 -0.27 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2jn6 h LYS 11 Cb 0.11 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 2jn6 h LYS 11 CO -0.03 0.98 0.60 -0.09 -0.57 0.00 0.00 179.45 180.34 2jn6 h ARG 12 N 1.05 1.16 -0.21 3.15 2.43 -0.85 0.64 114.38 121.75 2jn6 h ARG 12 Ca 0.22 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.17 2jn6 h ARG 12 Cb 0.38 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2jn6 h ARG 12 CO 0.00 0.77 -0.49 0.22 -1.51 0.00 0.00 179.97 178.96 2jn6 h ASP 13 N 1.19 0.60 -0.59 -3.80 3.58 -0.84 -2.95 116.42 113.62 2jn6 h ASP 13 Ca 0.35 -0.30 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 2jn6 h ASP 13 Cb -0.07 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 40.78 2jn6 h ASP 13 CO -0.10 0.99 0.21 0.00 -2.88 0.00 0.00 179.24 177.47 2jn6 h ALA 14 N 1.03 1.19 -0.76 -0.78 0.00 -0.14 -0.54 119.26 119.25 2jn6 h ALA 14 Ca 0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 2jn6 h ALA 14 Cb 1.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2jn6 h ALA 14 CO 0.09 0.57 0.28 0.28 0.00 0.00 0.00 179.25 180.47 2jn6 h VAL 15 N 0.92 1.26 -0.08 0.00 2.07 -0.80 -2.03 116.25 117.59 2jn6 h VAL 15 Ca 0.21 -0.85 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 2jn6 h VAL 15 Cb 0.24 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2jn6 h VAL 15 CO -0.01 0.34 -0.39 0.00 0.02 0.00 0.00 177.57 177.53 2jn6 h ALA 16 N 1.18 1.21 -0.28 1.67 0.00 -1.24 -2.61 119.26 119.18 2jn6 h ALA 16 Ca 0.25 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2jn6 h ALA 16 Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2jn6 h ALA 16 CO -0.02 0.55 0.04 -0.07 0.00 0.00 0.00 179.25 179.75 2jn6 h LEU 17 N 0.14 0.38 -1.33 0.00 3.38 -0.41 -2.38 115.31 115.09 2jn6 h LEU 17 Ca 0.01 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2jn6 h LEU 17 Cb 0.75 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2jn6 h LEU 17 CO 0.06 0.41 -0.34 0.22 0.09 0.00 0.00 178.44 178.88 2jn6 h TYR 18 N 0.41 0.00 0.00 1.13 3.20 -1.04 -2.09 116.97 118.59 2jn6 h TYR 18 Ca 0.10 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 2jn6 h TYR 18 Cb 0.21 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 2jn6 h TYR 18 CO 0.01 0.34 -0.44 0.93 -1.64 0.00 0.00 178.16 177.36 2jn6 h GLU 19 N 0.00 0.00 -0.92 1.82 5.08 -1.46 -3.15 114.58 115.95 2jn6 h GLU 19 Ca -0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 2jn6 h GLU 19 Cb 0.60 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.74 2jn6 h GLU 19 CO 0.04 0.44 0.22 0.09 -1.00 0.00 0.00 179.01 178.80 2jn6 n ASN 20 N -3.35 3.42 0.23 1.42 3.02 -0.79 -4.37 115.26 114.85 2jn6 n ASN 20 Ca 0.01 -2.71 0.15 0.00 -0.03 0.00 0.00 54.58 52.00 2jn6 n ASN 20 Cb 0.63 -0.65 0.56 0.00 -0.61 0.00 0.00 39.78 39.70 2jn6 n ASN 20 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2jn6 h SER 21 N 1.08 0.00 0.33 6.41 4.64 -1.58 -2.10 113.55 122.33 2jn6 h SER 21 Ca 0.21 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 2jn6 h SER 21 Cb 1.72 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.81 2jn6 h SER 21 CO 0.46 0.00 -0.07 -0.78 -0.87 0.00 0.00 176.83 175.57 2jn6 h ASP 22 N 0.00 0.00 -0.06 4.97 3.58 -1.88 -2.14 116.42 120.89 2jn6 h ASP 22 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jn6 h ASP 22 Cb 0.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2jn6 h ASP 22 CO 0.00 0.07 0.00 0.61 -2.88 0.00 0.00 179.24 177.04 2jn6 n GLY 23 N -0.76 0.30 3.13 -0.78 0.00 -0.84 -4.96 105.19 101.29 2jn6 n GLY 23 Ca -0.02 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 2jn6 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jn6 s ALA 24 N -0.64 -1.33 0.53 4.61 0.00 -0.80 -5.15 121.76 118.98 2jn6 s ALA 24 Ca 0.08 1.35 -0.22 0.00 0.00 0.00 0.00 51.96 53.18 2jn6 s ALA 24 Cb 0.05 -1.61 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 2jn6 s ALA 24 CO 0.07 -1.06 1.32 0.45 0.00 0.00 0.00 175.76 176.54 2jn6 s SER 25 N 2.64 5.45 0.30 0.00 0.15 -1.25 -4.00 113.70 116.97 2jn6 s SER 25 Ca 0.07 2.66 0.01 0.00 0.70 0.00 0.00 55.95 59.39 2jn6 s SER 25 Cb -0.14 -2.63 0.53 0.00 -1.71 0.00 0.00 66.02 62.08 2jn6 s SER 25 CO -0.16 -1.44 1.89 0.25 1.20 0.00 0.00 173.24 174.98 2jn6 h LEU 26 N 1.56 0.92 -0.09 3.45 6.46 -1.97 -0.23 115.31 125.41 2jn6 h LEU 26 Ca -0.51 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.30 2jn6 h LEU 26 Cb 1.29 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 41.02 2jn6 h LEU 26 CO 0.58 0.56 -0.06 -0.61 -0.62 0.00 0.00 178.44 178.29 2jn6 h GLN 27 N 1.03 -0.06 -0.86 1.25 -0.00 -1.99 -1.68 115.11 112.79 2jn6 h GLN 27 Ca 0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 59.06 2jn6 h GLN 27 Cb 0.28 0.01 -0.04 0.00 0.00 0.00 0.00 27.48 27.73 2jn6 h GLN 27 CO -0.17 -0.04 0.47 1.96 0.00 0.00 0.00 178.83 181.04 2jn6 h GLN 28 N -0.07 1.20 0.50 1.69 1.08 -1.48 0.19 115.11 118.22 2jn6 h GLN 28 Ca 0.06 -0.14 -0.02 0.00 -1.45 0.00 0.00 58.65 57.09 2jn6 h GLN 28 Cb 0.15 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 2jn6 h GLN 28 CO -0.13 0.88 -0.24 0.82 -0.95 0.00 0.00 178.83 179.21 2jn6 h ILE 29 N 1.20 0.50 -0.59 2.54 1.08 -0.81 -0.76 117.51 120.68 2jn6 h ILE 29 Ca 0.30 -0.08 -0.07 0.00 -0.39 0.00 0.00 64.86 64.62 2jn6 h ILE 29 Cb 0.03 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 34.30 2jn6 h ILE 29 CO -0.05 0.02 0.09 0.00 -0.69 0.00 0.00 178.15 177.52 2jn6 h ALA 30 N -0.24 1.06 -0.65 1.87 0.00 -1.09 -2.34 119.26 117.87 2jn6 h ALA 30 Ca -0.07 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2jn6 h ALA 30 Cb 0.54 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2jn6 h ALA 30 CO 0.11 0.61 0.18 -0.97 0.00 0.00 0.00 179.25 179.18 2jn6 h ASN 31 N 0.89 0.98 -0.41 0.00 -0.73 -0.56 0.14 115.58 115.89 2jn6 h ASN 31 Ca 0.18 -0.22 -0.08 0.00 1.87 0.00 0.00 56.30 58.05 2jn6 h ASN 31 Cb 0.39 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.71 2jn6 h ASN 31 CO 0.01 0.94 -0.05 -0.78 -0.37 0.00 0.00 177.43 177.19 2jn6 h ASP 32 N 0.96 0.75 0.54 1.15 3.58 -0.89 -2.84 116.42 119.66 2jn6 h ASP 32 Ca 0.21 -0.34 -0.11 0.00 0.42 0.00 0.00 57.03 57.21 2jn6 h ASP 32 Cb 0.34 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 2jn6 h ASP 32 CO -0.00 0.91 -0.52 -0.07 -2.88 0.00 0.00 179.24 176.68 2jn6 h LEU 33 N 0.58 0.00 -0.04 2.28 4.07 -1.27 -3.47 115.31 117.45 2jn6 h LEU 33 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.07 2jn6 h LEU 33 Cb 0.55 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.29 2jn6 h LEU 33 CO 0.03 0.52 0.00 0.61 -1.08 0.00 0.00 178.44 178.52 2jn6 n GLY 34 N -0.01 1.30 3.25 0.83 0.00 -0.05 -5.09 105.19 105.42 2jn6 n GLY 34 Ca -0.01 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 2jn6 n GLY 34 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jn6 s ILE 35 N -2.04 1.16 0.58 -0.61 -4.36 -0.71 -5.04 121.20 110.17 2jn6 s ILE 35 Ca 0.00 -2.06 -0.19 0.00 -0.26 0.00 0.00 60.65 58.14 2jn6 s ILE 35 Cb 0.00 -1.86 -0.04 0.00 1.25 0.00 0.00 42.46 41.80 2jn6 s ILE 35 CO 0.00 -0.73 1.19 0.21 0.24 0.00 0.00 174.94 175.85 2jn6 s ASN 36 N -3.17 5.35 0.48 4.36 3.84 -1.26 -4.31 114.94 120.23 2jn6 s ASN 36 Ca 0.17 2.35 0.14 0.00 0.21 0.00 0.00 52.86 55.73 2jn6 s ASN 36 Cb 0.03 -2.60 1.11 0.00 -0.55 0.00 0.00 41.25 39.24 2jn6 s ASN 36 CO 0.01 -1.48 2.08 0.08 -2.79 0.00 0.00 177.10 175.00 2jn6 h ARG 37 N 1.02 0.09 -0.05 0.43 0.11 -1.93 0.16 114.38 114.20 2jn6 h ARG 37 Ca -0.50 -0.01 -0.25 0.00 0.10 0.00 0.00 59.98 59.32 2jn6 h ARG 37 Cb 1.29 -0.02 0.02 0.00 1.11 0.00 0.00 29.97 32.37 2jn6 h ARG 37 CO 0.56 0.12 -0.94 0.28 0.10 0.00 0.00 179.97 180.09 2jn6 h VAL 38 N 0.09 1.29 -0.77 0.08 2.07 -1.98 -0.97 116.25 116.05 2jn6 h VAL 38 Ca 0.02 -2.17 -0.00 0.00 0.82 0.00 0.00 66.70 65.37 2jn6 h VAL 38 Cb 0.10 2.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 2jn6 h VAL 38 CO 0.00 0.67 0.46 0.74 0.02 0.00 0.00 177.57 179.47 2jn6 h THR 39 N 0.43 1.22 -0.22 2.57 2.02 -1.68 0.18 112.91 117.42 2jn6 h THR 39 Ca -0.10 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 2jn6 h THR 39 Cb 1.58 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2jn6 h THR 39 CO 0.19 0.23 0.13 0.25 0.37 0.00 0.00 175.52 176.68 2jn6 h LEU 40 N 1.05 0.27 -0.36 2.58 5.85 -0.98 -2.14 115.31 121.58 2jn6 h LEU 40 Ca 0.28 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.98 2jn6 h LEU 40 Cb -0.04 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 2jn6 h LEU 40 CO -0.05 0.26 0.10 0.50 -0.34 0.00 0.00 178.44 178.91 2jn6 h LYS 41 N 0.27 0.23 -0.75 1.25 1.63 -0.54 -1.38 116.57 117.27 2jn6 h LYS 41 Ca 0.08 -0.01 0.08 0.00 -0.85 0.00 0.00 60.65 59.95 2jn6 h LYS 41 Cb 0.04 -0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 31.55 2jn6 h LYS 41 CO -0.01 0.15 0.41 -0.91 -3.45 0.00 0.00 179.45 175.64 2jn6 h ASN 42 N 0.23 0.59 -0.59 4.20 4.21 -0.52 0.25 115.58 123.95 2jn6 h ASN 42 Ca 0.17 0.04 0.01 0.00 1.21 0.00 0.00 56.30 57.73 2jn6 h ASN 42 Cb 0.17 -0.07 -0.03 0.00 -1.12 0.00 0.00 38.32 37.27 2jn6 h ASN 42 CO -0.20 0.36 0.39 -0.50 -1.29 0.00 0.00 177.43 176.18 2jn6 h TRP 43 N 0.72 0.73 -0.01 1.19 4.06 -0.70 -1.43 115.95 120.51 2jn6 h TRP 43 Ca 0.35 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.32 2jn6 h TRP 43 Cb 0.29 -0.24 -0.00 0.00 -1.00 0.00 0.00 29.16 28.21 2jn6 h TRP 43 CO -0.08 0.45 0.00 0.82 -3.56 0.00 0.00 178.44 176.08 2jn6 h ILE 44 N 0.78 1.10 -0.59 1.49 2.04 -0.20 -1.76 117.51 120.37 2jn6 h ILE 44 Ca 0.22 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.72 2jn6 h ILE 44 Cb -0.07 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2jn6 h ILE 44 CO -0.06 0.08 0.09 0.40 0.00 0.00 0.00 178.15 178.65 2jn6 h ILE 45 N -0.11 1.25 0.01 -0.67 2.04 -0.87 0.43 117.51 119.58 2jn6 h ILE 45 Ca 0.00 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 64.89 2jn6 h ILE 45 Cb 0.12 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2jn6 h ILE 45 CO -0.00 0.36 -0.01 0.50 0.00 0.00 0.00 178.15 179.00 2jn6 h LYS 46 N 0.90 -0.01 0.15 2.37 3.64 -1.18 -3.00 116.57 119.44 2jn6 h LYS 46 Ca 0.18 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.22 2jn6 h LYS 46 Cb 0.41 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2jn6 h LYS 46 CO 0.01 0.55 -1.75 1.88 -2.27 0.00 0.00 179.45 177.88 2jn6 h TYR 47 N -0.59 0.58 -2.73 1.91 -1.99 -1.33 -3.37 116.97 109.45 2jn6 h TYR 47 Ca -0.00 -0.43 -0.72 0.00 2.00 0.00 0.00 58.73 59.58 2jn6 h TYR 47 Cb 0.57 -0.02 -0.34 0.00 2.00 0.00 0.00 36.73 38.94 2jn6 h TYR 47 CO 0.12 1.60 0.19 0.41 -0.00 0.00 0.00 178.16 180.49 2jn6 n GLY 48 N 1.83 4.90 0.34 3.88 0.00 0.15 -4.87 105.19 111.42 2jn6 n GLY 48 Ca -0.24 -2.70 0.18 0.00 0.00 0.00 0.00 46.02 43.26 2jn6 n GLY 48 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jn6 h SER 49 N 5.10 0.00 0.00 1.61 0.02 -1.65 -3.39 113.55 115.24 2jn6 h SER 49 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2jn6 h SER 49 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2jn6 h SER 49 CO 1.10 0.00 0.00 -3.20 -1.14 0.00 0.00 176.83 173.59 2jn6 n ASN 50 N -3.62 0.00 0.06 3.07 2.85 -1.26 -4.10 115.26 112.25 2jn6 n ASN 50 Ca 0.02 0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.28 2jn6 n ASN 50 Cb 0.35 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.25 2jn6 n ASN 50 CO 0.00 0.00 0.00 0.45 -2.11 0.00 0.00 177.26 175.60 2jn6 h HIS 51 N 0.00 0.86 -0.32 1.20 3.86 -1.98 -3.30 115.15 115.47 2jn6 h HIS 51 Ca 0.00 -0.52 -0.70 0.00 -1.16 0.00 0.00 60.37 57.99 2jn6 h HIS 51 Cb 0.00 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 2jn6 h HIS 51 CO 0.00 1.36 3.23 -1.71 0.86 0.00 0.00 177.93 181.67 2jn6 n ASN 52 N -3.96 6.72 -0.07 2.45 5.15 -1.26 -4.56 115.26 119.73 2jn6 n ASN 52 Ca -0.12 -2.80 -0.15 0.00 -0.60 0.00 0.00 54.58 50.90 2jn6 n ASN 52 Cb 0.87 -1.55 -0.13 0.00 -0.53 0.00 0.00 39.78 38.44 2jn6 n ASN 52 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 2jn6 h VAL 53 N 3.34 1.65 -1.61 3.44 3.04 -1.92 -3.45 116.25 120.73 2jn6 h VAL 53 Ca 0.70 -2.33 -0.40 0.00 -1.01 0.00 0.00 66.70 63.66 2jn6 h VAL 53 Cb 0.44 3.20 -0.11 0.00 -2.01 0.00 0.00 31.29 32.81 2jn6 h VAL 53 CO 1.76 0.57 -0.42 1.67 -1.01 0.00 0.00 177.57 180.14 2jn6 n GLN 54 N -4.56 -1.44 0.00 4.17 -0.06 -1.26 -4.93 117.38 109.29 2jn6 n GLN 54 Ca -0.14 1.11 0.00 0.00 -2.00 0.00 0.00 57.00 55.97 2jn6 n GLN 54 Cb 0.52 -5.54 0.00 0.00 -4.06 0.00 0.00 30.24 21.17 2jn6 n GLN 54 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2jn6 n GLY 55 N -0.72 1.04 2.71 1.69 0.00 -1.26 -5.04 105.19 103.61 2jn6 n GLY 55 Ca -0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 2jn6 n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jn6 s THR 56 N 0.71 -0.32 -0.23 2.61 -4.23 -1.26 -5.11 115.64 107.81 2jn6 s THR 56 Ca 0.00 -0.50 -0.32 0.00 -1.18 0.00 0.00 61.69 59.69 2jn6 s THR 56 Cb 0.00 -0.95 -0.09 0.00 1.34 0.00 0.00 72.50 72.81 2jn6 s THR 56 CO 0.00 -0.49 2.13 1.07 -0.54 0.00 0.00 174.62 176.79 2jn6 n THR 57 N 5.30 0.35 -1.81 3.99 5.66 -1.26 -4.87 114.28 121.64 2jn6 n THR 57 Ca -0.03 -0.30 -0.41 0.00 -3.05 0.00 0.00 64.05 60.25 2jn6 n THR 57 Cb 0.46 -2.08 -0.03 0.00 -1.55 0.00 0.00 70.33 67.13 2jn6 n THR 57 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 2jn6 s PRO 58 N 5.77 2.96 0.50 1.09 0.02 -1.26 -4.83 135.00 139.24 2jn6 s PRO 58 Ca 1.02 1.50 0.27 0.00 0.02 0.00 0.00 61.00 63.81 2jn6 s PRO 58 Cb -0.60 -4.34 1.27 0.00 0.02 0.00 0.00 34.50 30.85 2jn6 s PRO 58 CO 0.44 -2.30 1.98 1.03 -0.33 0.00 0.00 177.00 177.82 2jn6 h SER 59 N 14.98 0.00 1.11 2.53 0.87 -2.03 -1.61 113.55 129.41 2jn6 h SER 59 Ca -0.33 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.22 2jn6 h SER 59 Cb 1.21 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2jn6 h SER 59 CO 1.06 0.15 -0.03 0.00 -0.53 0.00 0.00 176.83 177.47 2jn6 h ALA 60 N 1.85 1.00 -0.07 6.23 0.00 -2.01 -2.90 119.26 123.36 2jn6 h ALA 60 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jn6 h ALA 60 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2jn6 h ALA 60 CO 0.02 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.31 2jn6 n ALA 61 N -2.11 2.57 0.15 0.00 0.00 -0.60 -3.60 120.51 116.92 2jn6 n ALA 61 Ca 0.01 -0.40 0.01 0.00 0.00 0.00 0.00 53.44 53.05 2jn6 n ALA 61 Cb 0.35 -1.19 0.29 0.00 0.00 0.00 0.00 19.45 18.89 2jn6 n ALA 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jn6 h VAL 62 N 1.71 1.31 -0.80 0.00 2.07 -1.60 -1.14 116.25 117.80 2jn6 h VAL 62 Ca 0.00 -1.51 -0.05 0.00 0.82 0.00 0.00 66.70 65.96 2jn6 h VAL 62 Cb 0.37 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 2jn6 h VAL 62 CO 0.00 0.44 0.32 0.28 0.02 0.00 0.00 177.57 178.62 2jn6 h SER 63 N 0.05 1.10 1.15 0.57 0.02 -1.80 -2.26 113.55 112.38 2jn6 h SER 63 Ca 0.00 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.73 2jn6 h SER 63 Cb 0.79 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 2jn6 h SER 63 CO 0.06 0.98 -0.24 -0.08 -1.14 0.00 0.00 176.83 176.40 2jn6 h GLU 64 N 1.16 0.00 -0.11 3.45 4.81 -1.64 -3.01 114.58 119.23 2jn6 h GLU 64 Ca 0.27 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2jn6 h GLU 64 Cb 0.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2jn6 h GLU 64 CO -0.02 0.24 0.06 0.00 -0.73 0.00 0.00 179.01 178.57 2jn6 h ALA 65 N 1.76 1.90 -0.58 2.92 0.00 -0.60 0.48 119.26 125.14 2jn6 h ALA 65 Ca -0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2jn6 h ALA 65 Cb 0.88 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2jn6 h ALA 65 CO 0.03 0.09 0.01 1.49 0.00 0.00 0.00 179.25 180.87 2jn6 h GLU 66 N 0.16 0.99 -0.08 0.00 4.57 -1.53 0.37 114.58 119.06 2jn6 h GLU 66 Ca 0.04 -0.30 -0.04 0.00 -1.18 0.00 0.00 59.36 57.89 2jn6 h GLU 66 Cb 0.00 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.49 2jn6 h GLU 66 CO -0.01 0.97 -0.09 1.96 -1.18 0.00 0.00 179.01 180.66 2jn6 h GLN 67 N 0.91 0.20 -0.39 1.92 1.08 -1.00 -3.14 115.11 114.68 2jn6 h GLN 67 Ca 0.17 -0.11 0.01 0.00 -1.45 0.00 0.00 58.65 57.27 2jn6 h GLN 67 Cb 0.52 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 2jn6 h GLN 67 CO 0.03 0.65 0.26 0.82 -0.95 0.00 0.00 178.83 179.64 2jn6 h ILE 68 N -0.24 1.09 -0.58 2.54 1.08 -0.04 0.19 117.51 121.54 2jn6 h ILE 68 Ca 0.01 -0.17 0.12 0.00 -0.39 0.00 0.00 64.86 64.42 2jn6 h ILE 68 Cb 0.62 0.53 -0.09 0.00 -3.07 0.00 0.00 36.82 34.81 2jn6 h ILE 68 CO 0.02 0.09 0.05 -0.09 -0.69 0.00 0.00 178.15 177.54 2jn6 h ARG 69 N 0.51 0.17 0.04 2.37 2.43 -0.22 0.35 114.38 120.03 2jn6 h ARG 69 Ca 0.15 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 2jn6 h ARG 69 Cb -0.03 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2jn6 h ARG 69 CO -0.03 0.11 -0.29 0.37 -1.51 0.00 0.00 179.97 178.61 2jn6 h GLN 70 N 0.17 0.08 0.37 0.20 4.15 -1.41 -3.31 115.11 115.36 2jn6 h GLN 70 Ca 0.31 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 2jn6 h GLN 70 Cb 0.47 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.22 2jn6 h GLN 70 CO -0.45 1.07 -0.18 1.25 -1.93 0.00 0.00 178.83 178.59 2jn6 h LEU 71 N -0.83 -0.42 -1.31 -2.39 7.12 -0.39 -3.26 115.31 113.84 2jn6 h LEU 71 Ca -0.06 -0.12 0.00 0.00 0.13 0.00 0.00 57.88 57.83 2jn6 h LEU 71 Cb 1.19 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.43 2jn6 h LEU 71 CO 0.03 -0.11 0.00 1.17 -0.13 0.00 0.00 178.44 179.40 2jn6 n LYS 72 N -5.20 1.87 -4.00 1.25 4.81 0.12 -4.63 118.16 112.39 2jn6 n LYS 72 Ca -0.10 -1.30 -0.31 0.00 -0.87 0.00 0.00 58.31 55.73 2jn6 n LYS 72 Cb 0.27 -1.43 -0.15 0.00 0.02 0.00 0.00 35.03 33.73 2jn6 n LYS 72 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2jn6 s LYS 73 N -1.79 1.95 -0.13 1.64 3.01 -1.23 -5.03 119.74 118.15 2jn6 s LYS 73 Ca 0.34 -1.07 -0.29 0.00 -1.01 0.00 0.00 55.97 53.94 2jn6 s LYS 73 Cb 0.19 -2.65 -0.07 0.00 -1.01 0.00 0.00 37.83 34.29 2jn6 s LYS 73 CO 0.28 -0.54 2.12 0.39 0.51 0.00 0.00 175.35 178.11 2jn6 n GLU 74 N 4.60 2.25 -3.63 1.68 4.71 -1.26 -4.71 120.64 124.28 2jn6 n GLU 74 Ca -0.13 0.72 -0.18 0.00 -0.01 0.00 0.00 57.16 57.56 2jn6 n GLU 74 Cb 0.44 -3.09 -0.05 0.00 -1.01 0.00 0.00 31.44 27.74 2jn6 n GLU 74 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 2jn6 n ASN 75 N 9.87 1.63 -0.11 1.62 0.23 -1.26 -5.02 115.26 122.22 2jn6 n ASN 75 Ca 0.27 -2.44 -0.07 0.00 -0.53 0.00 0.00 54.58 51.81 2jn6 n ASN 75 Cb 0.41 0.56 0.01 0.00 -2.08 0.00 0.00 39.78 38.68 2jn6 n ASN 75 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jn6 h ALA 76 N 1.37 0.44 -0.56 -2.53 0.00 -1.98 -1.53 119.26 114.46 2jn6 h ALA 76 Ca -0.23 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 2jn6 h ALA 76 Cb 0.81 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2jn6 h ALA 76 CO 0.37 -0.19 0.02 -0.07 0.00 0.00 0.00 179.25 179.38 2jn6 h LEU 77 N 0.37 0.93 -0.68 0.00 3.38 -1.98 -0.65 115.31 116.67 2jn6 h LEU 77 Ca 0.15 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 2jn6 h LEU 77 Cb 0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2jn6 h LEU 77 CO -0.10 0.97 -0.28 1.56 0.09 0.00 0.00 178.44 180.68 2jn6 h GLN 78 N 0.88 0.71 0.00 1.13 1.08 -1.82 -2.94 115.11 114.15 2jn6 h GLN 78 Ca 0.17 -0.31 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 2jn6 h GLN 78 Cb 0.50 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2jn6 h GLN 78 CO 0.02 0.91 -0.23 -0.09 -0.95 0.00 0.00 178.83 178.50 2jn6 h ARG 79 N 0.61 0.00 0.00 1.46 2.43 -1.00 -3.22 114.38 114.66 2jn6 h ARG 79 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2jn6 h ARG 79 Cb 0.79 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2jn6 h ARG 79 CO 0.07 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.53 2jn6 h ALA 80 N 2.08 1.00 -0.12 2.80 0.00 -0.94 -3.30 119.26 120.79 2jn6 h ALA 80 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2jn6 h ALA 80 Cb 0.96 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2jn6 h ALA 80 CO 0.00 0.00 0.29 0.00 0.00 0.00 0.00 179.25 179.54 2jn6 h ARG 81 N 0.00 0.00 0.00 0.00 3.08 -1.55 0.11 114.38 116.02 2jn6 h ARG 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jn6 h ARG 81 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2jn6 h ARG 81 CO 0.00 0.00 0.00 1.15 -1.07 0.00 0.00 179.97 180.05 2jn6 h THR 82 N 0.00 0.00 -3.49 2.04 2.02 -1.83 -3.43 112.91 108.22 2jn6 h THR 82 Ca 0.06 -0.34 -0.33 0.00 0.77 0.00 0.00 66.41 66.57 2jn6 h THR 82 Cb 0.63 1.31 -0.15 0.00 -1.74 0.00 0.00 68.15 68.19 2jn6 h THR 82 CO -0.00 0.00 -0.72 -0.13 0.37 0.00 0.00 175.52 175.04 2jn6 s ARG 83 N -3.77 1.00 -0.31 6.66 1.81 0.40 -5.12 118.95 119.62 2jn6 s ARG 83 Ca -0.00 -1.37 0.02 0.00 -1.72 0.00 0.00 55.73 52.65 2jn6 s ARG 83 Cb 0.10 -0.60 0.09 0.00 -0.45 0.00 0.00 34.95 34.09 2jn6 s ARG 83 CO 0.49 0.08 0.05 -1.58 -0.68 0.00 0.00 175.30 173.65 2jn6 s HIS 84 N -3.09 2.82 1.05 -0.53 5.65 -1.26 -4.94 115.29 115.00 2jn6 s HIS 84 Ca 0.14 -2.35 -0.15 0.00 0.25 0.00 0.00 55.06 52.94 2jn6 s HIS 84 Cb 0.01 -2.27 0.22 0.00 -1.18 0.00 0.00 32.58 29.36 2jn6 s HIS 84 CO 0.00 -0.89 1.14 -1.25 -0.65 0.00 0.00 174.74 173.09 2jn6 s PRO 85 N 1.23 -0.04 -1.01 2.88 0.04 -1.26 -4.95 135.00 131.89 2jn6 s PRO 85 Ca 0.07 0.12 -0.17 0.00 0.04 0.00 0.00 61.00 61.06 2jn6 s PRO 85 Cb -0.18 -1.72 0.14 0.00 0.04 0.00 0.00 34.50 32.78 2jn6 s PRO 85 CO -0.14 -2.96 1.22 0.00 0.04 0.00 0.00 177.00 175.17 2jn6 s ALA 86 N -3.17 3.55 0.20 8.56 0.00 -1.26 -4.78 121.76 124.87 2jn6 s ALA 86 Ca 0.68 -2.94 0.07 0.00 0.00 0.00 0.00 51.96 49.77 2jn6 s ALA 86 Cb -0.13 -4.08 0.12 0.00 0.00 0.00 0.00 23.12 19.04 2jn6 s ALA 86 CO 0.55 -2.92 1.47 1.05 0.00 0.00 0.00 175.76 175.91 2jn6 h GLU 87 N 8.34 0.08 -0.45 0.00 9.09 -2.02 -3.14 114.58 126.48 2jn6 h GLU 87 Ca 0.21 -0.08 -0.04 0.00 0.05 0.00 0.00 59.36 59.50 2jn6 h GLU 87 Cb 0.98 0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 28.08 2jn6 h GLU 87 CO 1.15 0.81 0.13 0.77 0.05 0.00 0.00 179.01 181.92 2jn6 h SER 88 N 0.05 0.61 1.16 3.06 0.02 -1.97 -2.67 113.55 113.81 2jn6 h SER 88 Ca -0.02 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 2jn6 h SER 88 Cb 1.36 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 2jn6 h SER 88 CO 0.11 0.60 -0.30 0.00 -1.14 0.00 0.00 176.83 176.09 2jn6 h LEU 90 N 0.00 -0.01 0.17 0.00 5.85 -1.53 -3.14 115.31 116.66 2jn6 h LEU 90 Ca -0.00 -0.40 -0.25 0.00 0.84 0.00 0.00 57.88 58.07 2jn6 h LEU 90 Cb 0.96 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.02 2jn6 h LEU 90 CO 0.04 0.40 -1.08 -0.33 -0.34 0.00 0.00 178.44 177.12 2jn6 h GLU 91 N -0.42 0.43 -3.01 1.25 5.08 -1.58 -3.36 114.58 112.96 2jn6 h GLU 91 Ca -0.00 -0.69 -0.78 0.00 -1.00 0.00 0.00 59.36 56.89 2jn6 h GLU 91 Cb 0.41 0.25 -0.21 0.00 0.50 0.00 0.00 28.75 29.70 2jn6 h GLU 91 CO 0.00 1.32 1.50 0.72 -1.00 0.00 0.00 179.01 181.55 2jn6 n HIS 92 N -3.95 2.59 -4.01 4.33 8.25 -0.13 -4.97 115.22 117.32 2jn6 n HIS 92 Ca -0.15 -2.68 -0.30 0.00 -0.26 0.00 0.00 57.72 54.33 2jn6 n HIS 92 Cb 0.93 -1.58 -0.06 0.00 1.12 0.00 0.00 29.99 30.40 2jn6 n HIS 92 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jn6 s HIS 93 N -1.58 3.29 0.28 4.41 -3.43 -1.19 -4.58 115.29 112.50 2jn6 s HIS 93 Ca 0.38 0.12 0.02 0.00 -0.80 0.00 0.00 55.06 54.78 2jn6 s HIS 93 Cb 0.10 -1.65 -0.05 0.00 -1.43 0.00 0.00 32.58 29.55 2jn6 s HIS 93 CO 0.02 0.54 0.10 -1.01 -2.00 0.00 0.00 174.74 172.39 2jn6 s HIS 94 N -1.45 1.63 -0.70 0.38 3.76 -1.26 -5.09 115.29 112.55 2jn6 s HIS 94 Ca 0.31 -1.17 -0.21 0.00 -0.15 0.00 0.00 55.06 53.84 2jn6 s HIS 94 Cb -0.12 -0.97 0.09 0.00 1.11 0.00 0.00 32.58 32.69 2jn6 s HIS 94 CO 0.24 -0.30 0.94 -1.58 -0.85 0.00 0.00 174.74 173.18 2jn6 s HIS 95 N -3.64 2.86 0.00 1.40 2.46 -1.26 -4.83 115.29 112.29 2jn6 s HIS 95 Ca 0.37 -0.85 0.00 0.00 0.47 0.00 0.00 55.06 55.05 2jn6 s HIS 95 Cb 0.07 -4.22 0.00 0.00 -0.13 0.00 0.00 32.58 28.30 2jn6 s HIS 95 CO 0.14 -1.53 0.00 1.58 -2.47 0.00 0.00 174.74 172.47 2jn6 n HIS 96 N 7.09 0.00 0.00 3.88 -0.00 -1.26 -5.38 115.22 119.55 2jn6 n HIS 96 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 2jn6 n HIS 96 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 2jn6 n HIS 96 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06