#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jn6 h PRO 2 N 0.00 0.00 -4.69 0.03 0.13 -2.14 -3.40 132.00 121.93 2jn6 h PRO 2 Ca 0.00 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.44 2jn6 h PRO 2 Cb 0.00 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 30.90 2jn6 h PRO 2 CO 0.00 0.15 -0.53 0.95 -0.23 0.00 0.00 178.00 178.34 2jn6 s THR 3 N -3.92 4.62 -0.46 1.56 -4.23 -1.26 -5.01 115.64 106.94 2jn6 s THR 3 Ca -0.01 -0.61 0.03 0.00 -1.18 0.00 0.00 61.69 59.92 2jn6 s THR 3 Cb 0.12 -3.45 0.15 0.00 1.34 0.00 0.00 72.50 70.65 2jn6 s THR 3 CO 0.60 -0.07 0.31 -0.75 -0.54 0.00 0.00 174.62 174.16 2jn6 s LYS 4 N 1.59 1.25 0.53 3.99 2.36 -1.26 -5.12 119.74 123.08 2jn6 s LYS 4 Ca 0.04 -2.15 -0.14 0.00 -2.55 0.00 0.00 55.97 51.16 2jn6 s LYS 4 Cb -0.18 -2.09 -0.07 0.00 -1.05 0.00 0.00 37.83 34.45 2jn6 s LYS 4 CO 0.07 -1.25 0.97 0.99 1.55 0.00 0.00 175.35 177.67 2jn6 s THR 5 N 0.09 4.61 0.25 3.43 2.01 -1.26 -5.09 115.64 119.68 2jn6 s THR 5 Ca 0.23 1.04 0.04 0.00 0.31 0.00 0.00 61.69 63.31 2jn6 s THR 5 Cb -0.13 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.57 2jn6 s THR 5 CO -0.08 -0.79 0.00 -0.72 -0.69 0.00 0.00 174.62 172.34 2jn6 s TYR 6 N -2.73 1.68 -0.00 4.92 1.13 -1.26 -5.16 117.35 115.92 2jn6 s TYR 6 Ca 0.57 -0.91 0.08 0.00 -1.41 0.00 0.00 57.07 55.40 2jn6 s TYR 6 Cb -0.10 -0.99 -0.02 0.00 -1.10 0.00 0.00 41.96 39.74 2jn6 s TYR 6 CO 0.37 -0.00 -0.24 -1.12 -2.51 0.00 0.00 175.55 172.05 2jn6 s SER 7 N -3.35 3.27 0.34 -0.18 0.01 -1.26 -5.01 113.70 107.52 2jn6 s SER 7 Ca 0.30 -0.46 0.04 0.00 1.31 0.00 0.00 55.95 57.14 2jn6 s SER 7 Cb 0.06 -0.42 0.62 0.00 0.21 0.00 0.00 66.02 66.50 2jn6 s SER 7 CO 0.10 0.30 1.91 1.05 0.41 0.00 0.00 173.24 177.02 2jn6 h GLU 8 N 5.22 0.59 -0.27 12.44 9.09 -2.01 -1.95 114.58 137.68 2jn6 h GLU 8 Ca -0.45 -0.10 -0.03 0.00 0.05 0.00 0.00 59.36 58.84 2jn6 h GLU 8 Cb 1.13 -0.10 -0.01 0.00 -1.65 0.00 0.00 28.75 28.12 2jn6 h GLU 8 CO 0.47 0.54 0.06 1.49 0.05 0.00 0.00 179.01 181.62 2jn6 h GLU 9 N 0.58 0.38 -0.48 1.06 4.81 -1.98 0.19 114.58 119.14 2jn6 h GLU 9 Ca 0.13 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 2jn6 h GLU 9 Cb 0.22 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2jn6 h GLU 9 CO -0.00 0.37 0.04 0.35 -0.73 0.00 0.00 179.01 179.04 2jn6 h PHE 10 N 0.38 0.88 -0.04 0.92 3.57 -1.77 0.21 116.94 121.09 2jn6 h PHE 10 Ca 0.09 -0.14 -0.11 0.00 3.53 0.00 0.00 57.97 61.35 2jn6 h PHE 10 Cb 0.17 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2jn6 h PHE 10 CO 0.00 0.83 -0.47 0.87 -2.23 0.00 0.00 178.31 177.31 2jn6 h LYS 11 N 0.68 0.10 -0.54 1.11 1.57 -1.11 -1.81 116.57 116.57 2jn6 h LYS 11 Ca 0.14 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.75 2jn6 h LYS 11 Cb 0.45 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 2jn6 h LYS 11 CO 0.02 0.55 -0.13 -0.09 -0.57 0.00 0.00 179.45 179.23 2jn6 h ARG 12 N 0.08 1.04 -0.45 3.15 2.43 -0.29 -2.97 114.38 117.37 2jn6 h ARG 12 Ca 0.00 -0.40 -0.07 0.00 -0.81 0.00 0.00 59.98 58.71 2jn6 h ARG 12 Cb 0.87 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 2jn6 h ARG 12 CO 0.07 1.09 0.01 0.22 -1.51 0.00 0.00 179.97 179.84 2jn6 h ASP 13 N 0.92 0.69 -0.43 -3.80 3.58 -0.13 -1.78 116.42 115.47 2jn6 h ASP 13 Ca 0.14 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 2jn6 h ASP 13 Cb 0.70 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 2jn6 h ASP 13 CO 0.05 0.76 0.23 0.00 -2.88 0.00 0.00 179.24 177.40 2jn6 h ALA 14 N 1.32 1.53 -0.39 -0.78 0.00 -1.25 0.57 119.26 120.26 2jn6 h ALA 14 Ca 0.14 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2jn6 h ALA 14 Cb 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2jn6 h ALA 14 CO 0.02 0.38 -0.31 0.28 0.00 0.00 0.00 179.25 179.61 2jn6 h VAL 15 N 0.65 1.28 -0.57 0.00 2.07 -1.19 -1.14 116.25 117.35 2jn6 h VAL 15 Ca 0.17 -1.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.16 2jn6 h VAL 15 Cb 0.06 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 2jn6 h VAL 15 CO -0.02 0.50 0.19 0.00 0.02 0.00 0.00 177.57 178.25 2jn6 h ALA 16 N 0.79 1.27 -0.44 1.67 0.00 -0.71 -0.30 119.26 121.53 2jn6 h ALA 16 Ca 0.07 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2jn6 h ALA 16 Cb 0.90 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2jn6 h ALA 16 CO 0.08 0.53 0.11 -0.07 0.00 0.00 0.00 179.25 179.90 2jn6 h LEU 17 N 0.82 0.60 -0.83 0.00 3.38 -0.69 -2.50 115.31 116.10 2jn6 h LEU 17 Ca 0.19 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 2jn6 h LEU 17 Cb 0.22 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2jn6 h LEU 17 CO -0.01 0.60 -0.46 0.22 0.09 0.00 0.00 178.44 178.88 2jn6 h TYR 18 N 0.64 0.00 -0.64 1.13 3.20 0.13 -2.06 116.97 119.38 2jn6 h TYR 18 Ca 0.15 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 2jn6 h TYR 18 Cb 0.23 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 2jn6 h TYR 18 CO 0.01 0.46 0.32 0.93 -1.64 0.00 0.00 178.16 178.24 2jn6 h GLU 19 N 0.00 0.89 -0.74 1.82 5.08 -0.66 -2.53 114.58 118.44 2jn6 h GLU 19 Ca -0.00 -0.11 -0.24 0.00 -1.00 0.00 0.00 59.36 58.00 2jn6 h GLU 19 Cb 0.99 -0.17 -0.14 0.00 0.50 0.00 0.00 28.75 29.92 2jn6 h GLU 19 CO 0.06 0.68 0.29 0.09 -1.00 0.00 0.00 179.01 179.13 2jn6 n ASN 20 N -4.36 4.62 0.29 1.42 3.02 -0.86 -4.54 115.26 114.86 2jn6 n ASN 20 Ca 0.06 -3.28 0.19 0.00 -0.03 0.00 0.00 54.58 51.52 2jn6 n ASN 20 Cb 0.12 -0.75 0.89 0.00 -0.61 0.00 0.00 39.78 39.44 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 2.41 0.00 0.26 6.41 4.64 -0.94 -0.99 113.55 125.34 2jn6 h SER 21 Ca 0.30 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.61 2jn6 h SER 21 Cb 2.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.44 2jn6 h SER 21 CO 0.76 0.00 -0.05 -0.78 -0.87 0.00 0.00 176.83 175.89 2jn6 h ASP 22 N 0.00 0.00 -0.01 4.97 3.58 -1.84 -1.38 116.42 121.74 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 0.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.34 2jn6 h ASP 22 CO 0.00 0.05 -0.15 0.61 -2.88 0.00 0.00 179.24 176.87 2jn6 n GLY 23 N -0.86 -0.24 2.64 -0.78 0.00 -0.44 -4.89 105.19 100.62 2jn6 n GLY 23 Ca -0.02 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.17 0.13 0.71 4.61 0.00 -0.52 -5.14 121.76 120.38 2jn6 s ALA 24 Ca 0.08 -0.86 -0.15 0.00 0.00 0.00 0.00 51.96 51.03 2jn6 s ALA 24 Cb 0.07 -1.63 0.03 0.00 0.00 0.00 0.00 23.12 21.59 2jn6 s ALA 24 CO 0.20 -1.77 1.20 0.45 0.00 0.00 0.00 175.76 175.85 2jn6 s SER 25 N 2.04 4.37 0.35 0.00 0.15 -1.22 -4.13 113.70 115.26 2jn6 s SER 25 Ca 0.11 2.32 0.06 0.00 0.70 0.00 0.00 55.95 59.14 2jn6 s SER 25 Cb -0.16 -2.59 0.73 0.00 -1.71 0.00 0.00 66.02 62.30 2jn6 s SER 25 CO -0.28 -2.14 1.91 -0.07 1.20 0.00 0.00 173.24 173.85 2jn6 h LEU 26 N -0.16 0.71 -0.71 3.45 3.38 -1.98 0.54 115.31 120.54 2jn6 h LEU 26 Ca -0.48 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.44 2jn6 h LEU 26 Cb 1.29 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 2jn6 h LEU 26 CO 0.51 0.42 0.15 -0.61 0.09 0.00 0.00 178.44 178.99 2jn6 h GLN 27 N 0.78 1.14 -0.41 1.13 5.75 -1.98 0.10 115.11 121.63 2jn6 h GLN 27 Ca 0.39 -0.29 -0.08 0.00 -0.15 0.00 0.00 58.65 58.52 2jn6 h GLN 27 Cb 0.46 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 2jn6 h GLN 27 CO -0.16 1.02 -0.07 0.37 -2.65 0.00 0.00 178.83 177.34 2jn6 h GLN 28 N 1.08 0.78 0.29 1.69 -0.00 -1.35 0.10 115.11 117.71 2jn6 h GLN 28 Ca 0.22 -0.28 -0.01 0.00 -0.00 0.00 0.00 58.65 58.57 2jn6 h GLN 28 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 27.83 2jn6 h GLN 28 CO 0.01 0.89 -0.14 0.82 0.00 0.00 0.00 178.83 180.41 2jn6 h ILE 29 N 0.60 0.74 -0.77 2.39 1.08 -0.82 -1.09 117.51 119.65 2jn6 h ILE 29 Ca 0.11 -0.31 -0.00 0.00 -0.39 0.00 0.00 64.86 64.26 2jn6 h ILE 29 Cb 0.58 0.92 -0.04 0.00 -3.07 0.00 0.00 36.82 35.21 2jn6 h ILE 29 CO 0.03 0.07 0.47 0.00 -0.69 0.00 0.00 178.15 178.03 2jn6 h ALA 30 N 0.09 1.37 -0.45 1.87 0.00 -0.94 -0.81 119.26 120.40 2jn6 h ALA 30 Ca -0.04 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2jn6 h ALA 30 Cb 0.41 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2jn6 h ALA 30 CO 0.07 0.55 -0.06 -0.97 0.00 0.00 0.00 179.25 178.83 2jn6 h ASN 31 N 1.07 0.83 -0.25 0.00 -0.73 -0.69 0.18 115.58 115.97 2jn6 h ASN 31 Ca 0.28 -0.34 -0.11 0.00 1.87 0.00 0.00 56.30 58.00 2jn6 h ASN 31 Cb -0.05 -0.22 -0.00 0.00 0.27 0.00 0.00 38.32 38.32 2jn6 h ASN 31 CO -0.05 0.97 -0.26 -0.78 -0.37 0.00 0.00 177.43 176.94 2jn6 h ASP 32 N 0.67 0.66 1.43 1.15 3.58 -0.78 -3.01 116.42 120.12 2jn6 h ASP 32 Ca 0.12 -0.48 -0.02 0.00 0.42 0.00 0.00 57.03 57.07 2jn6 h ASP 32 Cb 0.59 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.45 2jn6 h ASP 32 CO 0.04 1.00 -0.10 -0.07 -2.88 0.00 0.00 179.24 177.23 2jn6 h LEU 33 N 0.33 0.00 -1.06 2.28 4.07 -1.13 -3.47 115.31 116.33 2jn6 h LEU 33 Ca 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.98 2jn6 h LEU 33 Cb 0.82 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.56 2jn6 h LEU 33 CO 0.06 0.10 -0.03 0.61 -1.08 0.00 0.00 178.44 178.10 2jn6 n GLY 34 N 0.60 0.86 3.41 0.83 0.00 0.40 -5.07 105.19 106.22 2jn6 n GLY 34 Ca 0.02 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.01 0.51 0.25 -0.61 -4.36 0.03 -5.03 121.20 108.97 2jn6 s ILE 35 Ca 0.02 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.18 2jn6 s ILE 35 Cb -0.01 -2.49 -0.09 0.00 1.25 0.00 0.00 42.46 41.12 2jn6 s ILE 35 CO 0.03 0.00 0.82 0.21 0.24 0.00 0.00 174.94 176.24 2jn6 s ASN 36 N -3.47 7.22 0.31 4.36 2.47 -1.26 -4.43 114.94 120.14 2jn6 s ASN 36 Ca 0.32 1.61 0.05 0.00 0.42 0.00 0.00 52.86 55.27 2jn6 s ASN 36 Cb 0.04 -2.49 0.50 0.00 -1.45 0.00 0.00 41.25 37.86 2jn6 s ASN 36 CO 0.17 0.03 1.76 0.08 -3.72 0.00 0.00 177.10 175.41 2jn6 h ARG 37 N 3.48 0.35 -0.18 0.43 0.11 -1.92 0.14 114.38 116.80 2jn6 h ARG 37 Ca -0.47 -0.13 -0.04 0.00 0.10 0.00 0.00 59.98 59.43 2jn6 h ARG 37 Cb 1.19 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.25 2jn6 h ARG 37 CO 0.65 0.60 -0.06 0.28 0.10 0.00 0.00 179.97 181.54 2jn6 h VAL 38 N 0.31 1.30 -0.79 0.08 2.07 -1.97 0.56 116.25 117.80 2jn6 h VAL 38 Ca 0.04 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 2jn6 h VAL 38 Cb 0.65 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 2jn6 h VAL 38 CO 0.05 0.32 0.42 0.74 0.02 0.00 0.00 177.57 179.12 2jn6 h THR 39 N 0.06 1.24 0.03 2.57 2.02 -1.90 -0.17 112.91 116.76 2jn6 h THR 39 Ca 0.04 -0.61 0.02 0.00 0.77 0.00 0.00 66.41 66.62 2jn6 h THR 39 Cb 0.52 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2jn6 h THR 39 CO 0.02 0.27 -0.12 0.25 0.37 0.00 0.00 175.52 176.31 2jn6 h LEU 40 N 1.10 -0.34 -0.96 2.58 5.85 -0.60 -1.85 115.31 121.10 2jn6 h LEU 40 Ca 0.28 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 2jn6 h LEU 40 Cb 0.05 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2jn6 h LEU 40 CO -0.04 -0.17 0.34 0.50 -0.34 0.00 0.00 178.44 178.72 2jn6 h LYS 41 N -0.22 1.09 -0.30 1.25 3.64 -0.48 -2.05 116.57 119.49 2jn6 h LYS 41 Ca 0.03 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 2jn6 h LYS 41 Cb 0.26 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2jn6 h LYS 41 CO -0.10 0.85 -0.06 -0.91 -2.27 0.00 0.00 179.45 176.97 2jn6 h ASN 42 N 1.08 0.46 -0.45 4.20 4.21 -0.83 -1.97 115.58 122.27 2jn6 h ASN 42 Ca 0.26 -0.10 -0.01 0.00 1.21 0.00 0.00 56.30 57.66 2jn6 h ASN 42 Cb 0.14 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.20 2jn6 h ASN 42 CO -0.03 0.57 0.24 -0.50 -1.29 0.00 0.00 177.43 176.42 2jn6 h TRP 43 N 0.46 0.64 -0.20 1.19 6.55 -0.64 -2.80 115.95 121.15 2jn6 h TRP 43 Ca 0.09 -0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.90 2jn6 h TRP 43 Cb 0.40 -0.20 -0.01 0.00 -0.86 0.00 0.00 29.16 28.48 2jn6 h TRP 43 CO 0.01 0.49 0.06 0.82 -1.05 0.00 0.00 178.44 178.78 2jn6 h ILE 44 N 0.59 1.09 -0.77 1.49 2.04 -0.95 -2.14 117.51 118.86 2jn6 h ILE 44 Ca 0.16 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2jn6 h ILE 44 Cb 0.08 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 2jn6 h ILE 44 CO -0.02 0.11 0.48 0.40 0.00 0.00 0.00 178.15 179.12 2jn6 h ILE 45 N 0.27 1.21 0.17 -0.67 2.04 -1.10 0.30 117.51 119.72 2jn6 h ILE 45 Ca 0.07 -0.43 -0.33 0.00 1.00 0.00 0.00 64.86 65.17 2jn6 h ILE 45 Cb 0.09 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.27 2jn6 h ILE 45 CO -0.01 0.21 -1.68 0.50 0.00 0.00 0.00 178.15 177.18 2jn6 h LYS 46 N 1.06 0.35 0.01 2.37 3.64 -1.43 -3.39 116.57 119.18 2jn6 h LYS 46 Ca 0.28 -0.60 -0.28 0.00 -1.27 0.00 0.00 60.65 58.78 2jn6 h LYS 46 Cb -0.07 0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 2jn6 h LYS 46 CO -0.06 1.29 -1.62 1.88 -2.27 0.00 0.00 179.45 178.68 2jn6 h TYR 47 N -0.00 0.04 -3.14 1.91 -1.99 -1.44 -3.40 116.97 108.94 2jn6 h TYR 47 Ca -0.34 -0.03 -0.77 0.00 2.00 0.00 0.00 58.73 59.59 2jn6 h TYR 47 Cb 2.01 -0.00 -0.24 0.00 2.00 0.00 0.00 36.73 40.50 2jn6 h TYR 47 CO 0.11 1.05 0.67 0.20 -0.00 0.00 0.00 178.16 180.19 2jn6 s GLY 48 N -5.07 2.83 0.35 3.88 0.00 0.10 -4.83 107.32 104.58 2jn6 s GLY 48 Ca -0.05 -3.56 0.19 0.00 0.00 0.00 0.00 44.72 41.30 2jn6 s GLY 48 CO 0.82 1.57 1.58 1.76 0.00 0.00 0.00 173.10 178.83 2jn6 h SER 49 N 7.13 0.00 -3.10 1.64 0.02 -1.80 -3.44 113.55 114.01 2jn6 h SER 49 Ca 0.20 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.59 2jn6 h SER 49 Cb 0.91 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.40 2jn6 h SER 49 CO 1.04 0.36 0.99 0.20 -1.14 0.00 0.00 176.83 178.28 2jn6 s ASN 50 N -6.35 6.63 -0.12 3.07 -0.87 -1.26 -4.37 114.94 111.66 2jn6 s ASN 50 Ca 0.03 1.25 -0.09 0.00 -1.57 0.00 0.00 52.86 52.49 2jn6 s ASN 50 Cb 0.08 -2.54 0.03 0.00 -0.02 0.00 0.00 41.25 38.80 2jn6 s ASN 50 CO 0.70 -1.11 0.17 1.57 -2.57 0.00 0.00 177.10 175.87 2jn6 n HIS 51 N 7.75 -4.55 -2.23 2.20 -0.00 -1.26 -4.77 115.22 112.36 2jn6 n HIS 51 Ca 0.15 2.67 -0.37 0.00 -0.00 0.00 0.00 57.72 60.18 2jn6 n HIS 51 Cb 0.46 -3.86 -0.03 0.00 -0.00 0.00 0.00 29.99 26.56 2jn6 n HIS 51 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 2jn6 n ASN 52 N 1.79 3.94 -0.36 0.26 6.94 -1.26 -4.71 115.26 121.86 2jn6 n ASN 52 Ca -0.29 -2.81 -0.01 0.00 -0.02 0.00 0.00 54.58 51.45 2jn6 n ASN 52 Cb 0.45 -1.70 0.13 0.00 -2.36 0.00 0.00 39.78 36.30 2jn6 n ASN 52 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 2jn6 h VAL 53 N 5.66 1.19 -0.79 3.53 2.07 -1.92 -3.29 116.25 122.70 2jn6 h VAL 53 Ca 0.36 -0.43 -0.55 0.00 0.82 0.00 0.00 66.70 66.90 2jn6 h VAL 53 Cb 0.87 -0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.41 2jn6 h VAL 53 CO 1.41 0.23 1.69 -1.10 0.02 0.00 0.00 177.57 179.82 2jn6 s GLN 54 N -6.09 3.44 0.00 1.57 1.11 -1.26 -4.63 119.66 113.79 2jn6 s GLN 54 Ca -0.13 -1.51 0.00 0.00 0.01 0.00 0.00 55.36 53.73 2jn6 s GLN 54 Cb 0.18 -5.40 0.00 0.00 -1.01 0.00 0.00 33.01 26.78 2jn6 s GLN 54 CO 0.81 -2.77 0.00 0.41 0.01 0.00 0.00 175.29 173.75 2jn6 n GLY 55 N 5.86 0.57 2.93 3.09 0.00 -1.24 -5.07 105.19 111.34 2jn6 n GLY 55 Ca 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.46 2jn6 n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jn6 n THR 56 N -0.10 -6.52 -2.80 2.61 -2.24 -1.26 -4.88 114.28 99.09 2jn6 n THR 56 Ca 0.00 1.18 -0.43 0.00 -2.27 0.00 0.00 64.05 62.54 2jn6 n THR 56 Cb 0.00 -4.61 -0.04 0.00 -2.10 0.00 0.00 70.33 63.58 2jn6 n THR 56 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2jn6 s THR 57 N -0.89 4.49 0.17 4.28 2.01 -1.26 -5.03 115.64 119.41 2jn6 s THR 57 Ca -0.05 0.94 0.01 0.00 0.31 0.00 0.00 61.69 62.90 2jn6 s THR 57 Cb 0.00 -4.41 0.03 0.00 0.01 0.00 0.00 72.50 68.13 2jn6 s THR 57 CO 0.36 -0.75 0.23 -0.81 -0.69 0.00 0.00 174.62 172.96 2jn6 n PRO 58 N 7.09 0.70 0.24 4.92 -0.04 -1.26 -4.98 135.00 141.67 2jn6 n PRO 58 Ca 0.07 -0.78 0.10 0.00 -0.04 0.00 0.00 63.50 62.84 2jn6 n PRO 58 Cb 0.48 -0.11 0.58 0.00 -0.04 0.00 0.00 33.50 34.41 2jn6 n PRO 58 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2jn6 h SER 59 N -0.05 0.00 1.12 3.54 0.87 -2.04 -2.52 113.55 114.48 2jn6 h SER 59 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 2jn6 h SER 59 Cb 0.33 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2jn6 h SER 59 CO 0.10 0.20 0.00 0.00 -0.53 0.00 0.00 176.83 176.60 2jn6 h ALA 60 N 1.80 1.00 0.00 6.23 0.00 -1.99 -2.95 119.26 123.35 2jn6 h ALA 60 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jn6 h ALA 60 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2jn6 h ALA 60 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.28 2jn6 n ALA 61 N -2.08 2.36 -0.10 0.00 0.00 -0.95 -2.99 120.51 116.75 2jn6 n ALA 61 Ca 0.01 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.18 2jn6 n ALA 61 Cb 0.33 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 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 0.00 1.27 0.06 0.00 2.07 -1.69 -1.59 116.25 116.38 2jn6 h VAL 62 Ca 0.00 -1.63 -0.24 0.00 0.82 0.00 0.00 66.70 65.65 2jn6 h VAL 62 Cb 0.23 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2jn6 h VAL 62 CO 0.00 0.54 -1.08 0.28 0.02 0.00 0.00 177.57 177.33 2jn6 h SER 63 N 0.73 0.37 0.79 0.57 0.02 -1.77 -3.24 113.55 111.03 2jn6 h SER 63 Ca 0.04 -0.35 -0.05 0.00 -0.84 0.00 0.00 61.79 60.59 2jn6 h SER 63 Cb 1.05 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 2jn6 h SER 63 CO 0.11 1.22 -0.26 -0.08 -1.14 0.00 0.00 176.83 176.68 2jn6 h GLU 64 N 0.10 0.00 -0.06 3.45 4.57 -1.54 -3.11 114.58 118.00 2jn6 h GLU 64 Ca -0.09 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.10 2jn6 h GLU 64 Cb 1.78 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.36 2jn6 h GLU 64 CO 0.17 0.26 0.09 0.00 -1.18 0.00 0.00 179.01 178.35 2jn6 h ALA 65 N 1.74 1.45 -0.35 2.92 0.00 -1.31 -2.83 119.26 120.89 2jn6 h ALA 65 Ca -0.00 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2jn6 h ALA 65 Cb 0.72 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2jn6 h ALA 65 CO 0.03 -0.12 0.17 1.49 0.00 0.00 0.00 179.25 180.82 2jn6 h GLU 66 N 0.00 0.34 0.03 0.00 4.57 -1.74 0.57 114.58 118.35 2jn6 h GLU 66 Ca 0.03 -0.02 -0.22 0.00 -1.18 0.00 0.00 59.36 57.97 2jn6 h GLU 66 Cb 0.21 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 2jn6 h GLU 66 CO -0.00 0.23 -1.01 -0.56 -1.18 0.00 0.00 179.01 176.49 2jn6 h GLN 67 N 0.35 0.08 -0.62 1.92 3.07 -1.77 -3.11 115.11 115.04 2jn6 h GLN 67 Ca 0.15 -0.12 -0.00 0.00 0.09 0.00 0.00 58.65 58.76 2jn6 h GLN 67 Cb 0.06 0.04 -0.03 0.00 0.08 0.00 0.00 27.48 27.63 2jn6 h GLN 67 CO -0.11 1.01 0.38 0.82 0.09 0.00 0.00 178.83 181.02 2jn6 h ILE 68 N 0.03 1.18 -0.71 1.86 1.08 -1.37 -2.11 117.51 117.46 2jn6 h ILE 68 Ca -0.04 -0.39 0.14 0.00 -0.39 0.00 0.00 64.86 64.18 2jn6 h ILE 68 Cb 1.73 0.32 -0.05 0.00 -3.07 0.00 0.00 36.82 35.76 2jn6 h ILE 68 CO 0.14 0.18 0.48 -0.09 -0.69 0.00 0.00 178.15 178.18 2jn6 h ARG 69 N 0.84 0.37 0.10 2.37 2.43 0.20 0.14 114.38 120.83 2jn6 h ARG 69 Ca 0.22 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.22 2jn6 h ARG 69 Cb -0.03 -0.08 0.02 0.00 -0.42 0.00 0.00 29.97 29.45 2jn6 h ARG 69 CO -0.04 0.24 -0.65 0.37 -1.51 0.00 0.00 179.97 178.38 2jn6 h GLN 70 N 0.38 0.27 0.06 0.20 -0.00 -1.36 -3.38 115.11 111.29 2jn6 h GLN 70 Ca 0.35 -0.42 -0.25 0.00 -0.00 0.00 0.00 58.65 58.32 2jn6 h GLN 70 Cb 0.82 0.15 -0.02 0.00 0.00 0.00 0.00 27.48 28.43 2jn6 h GLN 70 CO -0.10 1.18 -1.22 1.25 0.00 0.00 0.00 178.83 179.93 2jn6 h LEU 71 N -0.42 0.20 -0.06 -2.39 5.85 -1.04 -3.33 115.31 114.12 2jn6 h LEU 71 Ca -0.11 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2jn6 h LEU 71 Cb 1.49 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.45 2jn6 h LEU 71 CO 0.12 1.19 0.00 1.17 -0.34 0.00 0.00 178.44 180.58 2jn6 n LYS 72 N -3.40 1.04 -1.91 1.25 4.81 0.46 -4.82 118.16 115.60 2jn6 n LYS 72 Ca -0.07 -0.06 -0.18 0.00 -0.87 0.00 0.00 58.31 57.14 2jn6 n LYS 72 Cb 0.99 -1.29 0.10 0.00 0.02 0.00 0.00 35.03 34.85 2jn6 n LYS 72 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2jn6 n LYS 73 N -0.72 -0.12 -0.29 1.64 2.85 -1.25 -4.99 118.16 115.27 2jn6 n LYS 73 Ca 0.14 -1.88 0.04 0.00 -1.05 0.00 0.00 58.31 55.55 2jn6 n LYS 73 Cb 0.08 -0.59 -0.01 0.00 -0.65 0.00 0.00 35.03 33.86 2jn6 n LYS 73 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2jn6 n GLU 74 N -2.48 -0.58 -4.94 -1.58 1.02 -1.26 -4.86 120.64 105.96 2jn6 n GLU 74 Ca 0.12 0.38 -0.29 0.00 -0.02 0.00 0.00 57.16 57.36 2jn6 n GLU 74 Cb 0.43 -0.71 -0.17 0.00 -0.02 0.00 0.00 31.44 30.97 2jn6 n GLU 74 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2jn6 s ASN 75 N -4.54 2.50 0.13 1.62 4.22 -1.26 -4.99 114.94 112.62 2jn6 s ASN 75 Ca 0.00 -0.44 0.26 0.00 -2.14 0.00 0.00 52.86 50.53 2jn6 s ASN 75 Cb 0.00 -1.14 0.64 0.00 1.28 0.00 0.00 41.25 42.03 2jn6 s ASN 75 CO 0.00 0.10 1.57 0.00 -2.04 0.00 0.00 177.10 176.74 2jn6 n ALA 76 N 3.64 2.67 -0.30 3.54 0.00 -1.26 -4.22 120.51 124.58 2jn6 n ALA 76 Ca -0.21 -0.16 0.08 0.00 0.00 0.00 0.00 53.44 53.16 2jn6 n ALA 76 Cb 0.52 -1.31 0.24 0.00 0.00 0.00 0.00 19.45 18.90 2jn6 n ALA 76 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jn6 h LEU 77 N 0.00 0.54 -1.35 0.00 3.38 -1.98 0.14 115.31 116.05 2jn6 h LEU 77 Ca 0.00 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2jn6 h LEU 77 Cb 0.69 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2jn6 h LEU 77 CO 0.00 0.21 0.45 1.56 0.09 0.00 0.00 178.44 180.75 2jn6 h GLN 78 N 0.62 0.87 0.00 1.13 4.20 -2.03 -2.36 115.11 117.54 2jn6 h GLN 78 Ca 0.49 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 59.01 2jn6 h GLN 78 Cb 0.72 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 2jn6 h GLN 78 CO -0.38 0.57 -1.24 0.00 -0.67 0.00 0.00 178.83 177.12 2jn6 h ARG 79 N 0.89 0.00 0.00 1.46 3.08 -1.31 -3.28 114.38 115.22 2jn6 h ARG 79 Ca 0.25 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 2jn6 h ARG 79 Cb -0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 2jn6 h ARG 79 CO -0.06 0.26 -0.01 0.00 -1.07 0.00 0.00 179.97 179.09 2jn6 h ALA 80 N 1.53 1.01 0.00 0.04 0.00 -0.29 -2.57 119.26 118.98 2jn6 h ALA 80 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2jn6 h ALA 80 Cb 1.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2jn6 h ALA 80 CO 0.04 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.30 2jn6 h ARG 81 N 0.00 0.00 0.00 0.00 3.08 -1.56 0.78 114.38 116.68 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 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 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 -4.14 2.04 2.02 -1.70 -3.43 112.91 107.70 2jn6 h THR 82 Ca 0.00 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 2jn6 h THR 82 Cb 0.24 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2jn6 h THR 82 CO 0.00 0.00 -0.03 0.54 0.37 0.00 0.00 175.52 176.40 2jn6 n ARG 83 N -2.49 1.56 -3.74 6.66 1.74 0.27 -5.16 116.66 115.50 2jn6 n ARG 83 Ca 0.02 -0.30 -0.13 0.00 -0.77 0.00 0.00 57.85 56.67 2jn6 n ARG 83 Cb 0.27 0.05 -0.11 0.00 -1.02 0.00 0.00 32.46 31.65 2jn6 n ARG 83 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2jn6 s HIS 84 N -0.50 -0.41 0.00 -1.55 -3.43 -1.26 -5.00 115.29 103.14 2jn6 s HIS 84 Ca 0.02 0.98 0.00 0.00 -0.80 0.00 0.00 55.06 55.26 2jn6 s HIS 84 Cb -0.00 0.14 0.00 0.00 -1.43 0.00 0.00 32.58 31.29 2jn6 s HIS 84 CO 0.01 -0.21 0.00 -0.35 -2.00 0.00 0.00 174.74 172.19 2jn6 n PRO 85 N 3.16 2.16 -2.49 -0.38 -0.05 -1.26 -4.97 135.00 131.17 2jn6 n PRO 85 Ca -0.15 0.00 -0.02 0.00 -0.05 0.00 0.00 63.50 63.27 2jn6 n PRO 85 Cb 0.57 0.00 -0.02 0.00 -0.05 0.00 0.00 33.50 34.00 2jn6 n PRO 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2jn6 n ALA 86 N -3.00 -3.53 0.28 0.55 0.00 -1.26 -4.78 120.51 108.77 2jn6 n ALA 86 Ca 0.00 1.24 0.18 0.00 0.00 0.00 0.00 53.44 54.86 2jn6 n ALA 86 Cb 0.00 -2.43 0.94 0.00 0.00 0.00 0.00 19.45 17.96 2jn6 n ALA 86 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2jn6 h GLU 87 N 3.04 0.00 -0.35 0.00 4.11 -2.05 -2.22 114.58 117.10 2jn6 h GLU 87 Ca -0.24 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.29 2jn6 h GLU 87 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2jn6 h GLU 87 CO 0.05 0.00 0.49 0.77 0.07 0.00 0.00 179.01 180.39 2jn6 h SER 88 N 0.00 0.00 0.31 3.06 0.02 -2.02 -0.46 113.55 114.45 2jn6 h SER 88 Ca 0.04 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2jn6 h SER 88 Cb 0.37 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 2jn6 h SER 88 CO -0.00 0.00 -0.06 0.00 -1.14 0.00 0.00 176.83 175.63 2jn6 h LEU 90 N 0.00 0.00 -1.03 0.00 8.10 -1.33 0.10 115.31 121.15 2jn6 h LEU 90 Ca -0.00 0.00 0.03 0.00 0.11 0.00 0.00 57.88 58.02 2jn6 h LEU 90 Cb 0.23 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.40 2jn6 h LEU 90 CO 0.01 0.00 0.65 -0.08 -4.11 0.00 0.00 178.44 174.91 2jn6 h GLU 91 N 0.00 1.24 -2.31 0.17 4.81 -1.64 -2.79 114.58 114.05 2jn6 h GLU 91 Ca 0.00 -0.07 -0.71 0.00 -0.13 0.00 0.00 59.36 58.45 2jn6 h GLU 91 Cb 0.16 -0.28 -0.34 0.00 0.63 0.00 0.00 28.75 28.92 2jn6 h GLU 91 CO 0.00 0.82 0.23 0.72 -0.73 0.00 0.00 179.01 180.06 2jn6 n HIS 92 N -4.42 3.31 -1.20 0.92 8.25 0.35 -5.06 115.22 117.37 2jn6 n HIS 92 Ca 0.13 -3.25 -0.34 0.00 -0.26 0.00 0.00 57.72 54.00 2jn6 n HIS 92 Cb 0.07 -0.87 0.12 0.00 1.12 0.00 0.00 29.99 30.42 2jn6 n HIS 92 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jn6 n HIS 93 N 0.03 1.24 -0.68 4.41 1.44 -1.06 -4.70 115.22 115.90 2jn6 n HIS 93 Ca 0.38 0.40 0.01 0.00 -2.01 0.00 0.00 57.72 56.50 2jn6 n HIS 93 Cb 0.33 -2.12 -0.00 0.00 0.12 0.00 0.00 29.99 28.32 2jn6 n HIS 93 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2jn6 n HIS 94 N -3.05 -1.90 -3.82 -1.40 8.25 -1.26 -5.06 115.22 106.97 2jn6 n HIS 94 Ca 0.14 0.06 -0.09 0.00 -0.26 0.00 0.00 57.72 57.57 2jn6 n HIS 94 Cb 0.50 -0.11 -0.07 0.00 1.12 0.00 0.00 29.99 31.44 2jn6 n HIS 94 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jn6 s HIS 95 N -0.88 0.10 0.28 4.41 -3.43 -1.26 -5.09 115.29 109.41 2jn6 s HIS 95 Ca 0.00 -0.51 -0.30 0.00 -0.80 0.00 0.00 55.06 53.45 2jn6 s HIS 95 Cb 0.00 -0.01 -0.13 0.00 -1.43 0.00 0.00 32.58 31.01 2jn6 s HIS 95 CO 0.00 -0.57 1.44 -2.39 -2.00 0.00 0.00 174.74 171.22 2jn6 n HIS 96 N -0.09 2.39 -0.46 0.38 1.44 -1.26 -5.29 115.22 112.33 2jn6 n HIS 96 Ca -0.15 0.41 0.00 0.00 -2.01 0.00 0.00 57.72 55.97 2jn6 n HIS 96 Cb 0.63 -2.49 0.00 0.00 0.12 0.00 0.00 29.99 28.25 2jn6 n HIS 96 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25