#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 0.76 -3.43 2.12 0.11 -2.02 -3.48 132.00 126.06 2jn6 h PRO 2 Ca 0.00 -0.59 -0.02 0.00 0.11 0.00 0.00 66.00 65.50 2jn6 h PRO 2 Cb 0.00 0.11 -0.07 0.00 0.11 0.00 0.00 31.00 31.15 2jn6 h PRO 2 CO 0.00 1.20 0.01 -0.08 -0.21 0.00 0.00 178.00 178.92 2jn6 s THR 3 N -3.81 0.00 -0.34 -1.15 -1.32 -1.26 -5.01 115.64 102.75 2jn6 s THR 3 Ca -0.10 -1.26 -0.01 0.00 -1.21 0.00 0.00 61.69 59.11 2jn6 s THR 3 Cb 0.09 -2.19 0.12 0.00 -1.51 0.00 0.00 72.50 69.01 2jn6 s THR 3 CO 0.89 0.00 0.17 -0.75 -2.21 0.00 0.00 174.62 172.72 2jn6 s LYS 4 N -3.86 0.61 0.41 7.08 2.36 -1.26 -5.13 119.74 119.96 2jn6 s LYS 4 Ca 0.19 -1.16 -0.12 0.00 -2.55 0.00 0.00 55.97 52.33 2jn6 s LYS 4 Cb -0.03 -1.60 -0.07 0.00 -1.05 0.00 0.00 37.83 35.09 2jn6 s LYS 4 CO 0.09 -1.10 0.80 0.99 1.55 0.00 0.00 175.35 177.68 2jn6 s THR 5 N 1.37 4.73 -0.28 3.43 2.01 -1.26 -5.08 115.64 120.56 2jn6 s THR 5 Ca 0.13 0.75 -0.10 0.00 0.31 0.00 0.00 61.69 62.79 2jn6 s THR 5 Cb -0.20 -3.72 0.12 0.00 0.01 0.00 0.00 72.50 68.71 2jn6 s THR 5 CO -0.16 -0.51 0.60 -0.47 -0.69 0.00 0.00 174.62 173.39 2jn6 s TYR 6 N -2.37 -1.23 0.31 4.92 5.04 -1.26 -5.14 117.35 117.62 2jn6 s TYR 6 Ca 0.53 2.16 -0.30 0.00 -2.44 0.00 0.00 57.07 57.03 2jn6 s TYR 6 Cb -0.10 0.70 -0.12 0.00 0.35 0.00 0.00 41.96 42.79 2jn6 s TYR 6 CO 0.30 -0.63 1.50 0.43 -1.34 0.00 0.00 175.55 175.81 2jn6 n SER 7 N 5.39 3.51 0.25 4.32 7.64 -1.26 -4.88 113.62 128.60 2jn6 n SER 7 Ca -0.12 1.17 0.11 0.00 1.01 0.00 0.00 58.87 61.04 2jn6 n SER 7 Cb 0.49 -1.56 0.67 0.00 -1.01 0.00 0.00 64.21 62.81 2jn6 n SER 7 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2jn6 h GLU 8 N 3.98 0.00 -0.83 1.43 3.07 -1.97 -2.44 114.58 117.82 2jn6 h GLU 8 Ca -0.47 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.37 2jn6 h GLU 8 Cb 1.25 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.12 2jn6 h GLU 8 CO 0.73 0.13 0.47 1.49 -1.40 0.00 0.00 179.01 180.43 2jn6 h GLU 9 N 0.00 1.15 -0.53 2.33 4.81 -1.99 0.27 114.58 120.62 2jn6 h GLU 9 Ca -0.00 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 2jn6 h GLU 9 Cb 0.30 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2jn6 h GLU 9 CO 0.02 0.83 0.08 0.35 -0.73 0.00 0.00 179.01 179.56 2jn6 h PHE 10 N 1.16 0.94 -0.32 0.92 3.04 -1.81 -0.07 116.94 120.79 2jn6 h PHE 10 Ca 0.29 -0.13 -0.02 0.00 3.98 0.00 0.00 57.97 62.09 2jn6 h PHE 10 Cb 0.01 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.25 2jn6 h PHE 10 CO 0.01 0.84 0.12 0.87 -2.02 0.00 0.00 178.31 178.13 2jn6 h LYS 11 N 0.77 0.49 -0.33 1.11 1.57 -1.35 0.18 116.57 119.01 2jn6 h LYS 11 Ca 0.16 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2jn6 h LYS 11 Cb 0.41 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 2jn6 h LYS 11 CO 0.01 0.51 0.15 -0.09 -0.57 0.00 0.00 179.45 179.46 2jn6 h ARG 12 N 0.37 0.30 -0.41 3.15 2.43 -0.29 -1.63 114.38 118.31 2jn6 h ARG 12 Ca 0.11 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 2jn6 h ARG 12 Cb 0.21 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2jn6 h ARG 12 CO -0.01 0.20 -0.03 0.22 -1.51 0.00 0.00 179.97 178.84 2jn6 h ASP 13 N 0.31 0.65 -0.52 -3.80 3.58 -0.83 -1.98 116.42 113.83 2jn6 h ASP 13 Ca 0.14 -0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.40 2jn6 h ASP 13 Cb 0.07 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 2jn6 h ASP 13 CO -0.11 0.74 0.20 0.00 -2.88 0.00 0.00 179.24 177.19 2jn6 h ALA 14 N 1.33 1.29 -0.14 -0.78 0.00 -0.41 0.35 119.26 120.91 2jn6 h ALA 14 Ca 0.12 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2jn6 h ALA 14 Cb 0.44 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2jn6 h ALA 14 CO 0.02 0.52 -0.44 0.28 0.00 0.00 0.00 179.25 179.62 2jn6 h VAL 15 N 0.82 1.32 0.00 0.00 2.07 -0.82 -2.65 116.25 116.99 2jn6 h VAL 15 Ca 0.19 -1.62 -0.12 0.00 0.82 0.00 0.00 66.70 65.97 2jn6 h VAL 15 Cb 0.20 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2jn6 h VAL 15 CO -0.01 0.49 -0.60 0.00 0.02 0.00 0.00 177.57 177.47 2jn6 h ALA 16 N 1.26 0.96 0.00 1.67 0.00 -0.56 -2.76 119.26 119.83 2jn6 h ALA 16 Ca 0.02 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 2jn6 h ALA 16 Cb 0.89 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2jn6 h ALA 16 CO 0.07 0.74 -0.12 -0.07 0.00 0.00 0.00 179.25 179.88 2jn6 h LEU 17 N 0.00 0.00 -1.60 0.00 3.38 0.01 -0.84 115.31 116.26 2jn6 h LEU 17 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2jn6 h LEU 17 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2jn6 h LEU 17 CO 0.08 0.12 -0.11 0.22 0.09 0.00 0.00 178.44 178.84 2jn6 h TYR 18 N 0.00 0.12 0.00 1.13 3.20 -1.31 -0.50 116.97 119.60 2jn6 h TYR 18 Ca -0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2jn6 h TYR 18 Cb 0.23 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.46 2jn6 h TYR 18 CO 0.00 0.24 0.00 0.93 -1.64 0.00 0.00 178.16 177.69 2jn6 h GLU 19 N 0.12 0.00 -0.60 1.82 5.08 -1.25 -3.19 114.58 116.56 2jn6 h GLU 19 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2jn6 h GLU 19 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2jn6 h GLU 19 CO 0.02 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.12 2jn6 n ASN 20 N -2.79 3.17 0.11 1.42 3.02 -0.21 -4.30 115.26 115.70 2jn6 n ASN 20 Ca 0.05 -2.28 0.11 0.00 -0.03 0.00 0.00 54.58 52.43 2jn6 n ASN 20 Cb 0.49 -0.46 0.47 0.00 -0.61 0.00 0.00 39.78 39.67 2jn6 n ASN 20 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2jn6 n SER 21 N 0.63 0.58 -0.11 6.41 3.41 -1.14 -2.61 113.62 120.78 2jn6 n SER 21 Ca 0.16 0.65 0.23 0.00 -0.26 0.00 0.00 58.87 59.65 2jn6 n SER 21 Cb 0.61 -0.77 0.67 0.00 -0.26 0.00 0.00 64.21 64.45 2jn6 n SER 21 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2jn6 h ASP 22 N 0.00 0.08 0.00 4.04 3.32 -1.87 -1.58 116.42 120.41 2jn6 h ASP 22 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2jn6 h ASP 22 Cb 0.33 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2jn6 h ASP 22 CO 0.00 0.04 -0.98 0.61 -1.72 0.00 0.00 179.24 177.19 2jn6 n GLY 23 N -1.65 -0.59 3.54 2.75 0.00 -1.07 -4.97 105.19 103.20 2jn6 n GLY 23 Ca 0.15 -0.45 -0.07 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.67 -1.67 0.86 4.61 0.00 -0.59 -5.15 121.76 117.14 2jn6 s ALA 24 Ca 0.04 2.17 -0.11 0.00 0.00 0.00 0.00 51.96 54.06 2jn6 s ALA 24 Cb 0.12 -1.34 0.11 0.00 0.00 0.00 0.00 23.12 22.01 2jn6 s ALA 24 CO 0.68 -0.42 1.14 0.45 0.00 0.00 0.00 175.76 177.61 2jn6 s SER 25 N 1.74 3.41 0.37 0.00 0.15 -1.26 -4.10 113.70 114.02 2jn6 s SER 25 Ca -0.09 2.14 0.07 0.00 0.70 0.00 0.00 55.95 58.77 2jn6 s SER 25 Cb -0.07 -2.56 0.78 0.00 -1.71 0.00 0.00 66.02 62.46 2jn6 s SER 25 CO -0.18 -2.78 1.94 0.25 1.20 0.00 0.00 173.24 173.68 2jn6 h LEU 26 N -1.51 0.64 -1.15 3.45 6.46 -1.97 0.11 115.31 121.34 2jn6 h LEU 26 Ca -0.44 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.29 2jn6 h LEU 26 Cb 1.26 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 41.05 2jn6 h LEU 26 CO 0.45 0.39 0.13 -0.61 -0.62 0.00 0.00 178.44 178.18 2jn6 h GLN 27 N 0.71 0.73 -0.17 1.25 5.75 -2.00 -1.33 115.11 120.05 2jn6 h GLN 27 Ca 0.34 -0.13 -0.21 0.00 -0.15 0.00 0.00 58.65 58.50 2jn6 h GLN 27 Cb 0.38 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.81 2jn6 h GLN 27 CO -0.12 0.65 -0.71 0.37 -2.65 0.00 0.00 178.83 176.37 2jn6 h GLN 28 N 0.71 0.72 -0.08 1.69 5.75 -1.20 -1.90 115.11 120.81 2jn6 h GLN 28 Ca 0.16 -0.55 0.03 0.00 -0.15 0.00 0.00 58.65 58.13 2jn6 h GLN 28 Cb 0.25 0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 2jn6 h GLN 28 CO -0.00 1.17 -0.08 0.82 -2.65 0.00 0.00 178.83 178.08 2jn6 h ILE 29 N 0.51 0.76 -0.74 2.39 1.08 -0.56 0.32 117.51 121.27 2jn6 h ILE 29 Ca -0.03 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.41 2jn6 h ILE 29 Cb 1.32 0.76 -0.03 0.00 -3.07 0.00 0.00 36.82 35.80 2jn6 h ILE 29 CO 0.14 0.00 0.35 0.00 -0.69 0.00 0.00 178.15 177.96 2jn6 h ALA 30 N 0.96 0.95 -0.36 1.87 0.00 -1.25 -1.86 119.26 119.58 2jn6 h ALA 30 Ca 0.06 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2jn6 h ALA 30 Cb 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2jn6 h ALA 30 CO -0.15 0.52 -0.24 -0.91 0.00 0.00 0.00 179.25 178.47 2jn6 h ASN 31 N 1.04 0.72 -0.74 0.00 2.35 -0.99 0.24 115.58 118.20 2jn6 h ASN 31 Ca 0.25 -0.26 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 2jn6 h ASN 31 Cb 0.12 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2jn6 h ASN 31 CO -0.03 0.94 0.21 -0.78 -1.65 0.00 0.00 177.43 176.12 2jn6 h ASP 32 N 0.62 1.09 0.18 5.81 3.58 0.00 -2.82 116.42 124.89 2jn6 h ASP 32 Ca 0.09 -0.22 -0.25 0.00 0.42 0.00 0.00 57.03 57.07 2jn6 h ASP 32 Cb 0.73 -0.29 0.01 0.00 1.72 0.00 0.00 39.33 41.51 2jn6 h ASP 32 CO 0.06 1.02 -0.99 -0.07 -2.88 0.00 0.00 179.24 176.38 2jn6 h LEU 33 N 1.11 0.71 0.00 2.28 3.38 -1.18 -3.48 115.31 118.12 2jn6 h LEU 33 Ca 0.24 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2jn6 h LEU 33 Cb 0.34 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2jn6 h LEU 33 CO -0.00 1.37 0.00 0.61 0.09 0.00 0.00 178.44 180.51 2jn6 n GLY 34 N 1.01 1.49 3.66 0.83 0.00 0.71 -5.10 105.19 107.80 2jn6 n GLY 34 Ca -0.09 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.00 1.22 0.33 -0.61 -4.36 -0.41 -5.01 121.20 110.36 2jn6 s ILE 35 Ca 0.00 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.13 2jn6 s ILE 35 Cb 0.00 -2.41 -0.10 0.00 1.25 0.00 0.00 42.46 41.20 2jn6 s ILE 35 CO 0.00 0.00 0.94 0.21 0.24 0.00 0.00 174.94 176.33 2jn6 s ASN 36 N -3.76 7.30 0.38 4.36 2.47 -1.26 -4.35 114.94 120.07 2jn6 s ASN 36 Ca 0.17 1.82 0.11 0.00 0.42 0.00 0.00 52.86 55.38 2jn6 s ASN 36 Cb 0.04 -2.57 0.75 0.00 -1.45 0.00 0.00 41.25 38.02 2jn6 s ASN 36 CO 0.09 -0.09 1.87 0.08 -3.72 0.00 0.00 177.10 175.33 2jn6 h ARG 37 N 3.07 0.12 -0.37 0.43 0.11 -1.92 -1.07 114.38 114.74 2jn6 h ARG 37 Ca -0.47 -0.03 -0.08 0.00 0.10 0.00 0.00 59.98 59.49 2jn6 h ARG 37 Cb 1.19 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.25 2jn6 h ARG 37 CO 0.65 0.37 -0.09 0.28 0.10 0.00 0.00 179.97 181.29 2jn6 h VAL 38 N 0.11 1.28 -0.70 0.08 2.07 -1.99 -0.11 116.25 116.98 2jn6 h VAL 38 Ca 0.02 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 2jn6 h VAL 38 Cb 0.52 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2jn6 h VAL 38 CO 0.04 0.38 0.35 0.74 0.02 0.00 0.00 177.57 179.10 2jn6 h THR 39 N 0.51 1.22 -0.37 2.57 2.02 -1.80 0.06 112.91 117.12 2jn6 h THR 39 Ca 0.09 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 2jn6 h THR 39 Cb 0.60 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2jn6 h THR 39 CO 0.04 0.26 0.18 0.25 0.37 0.00 0.00 175.52 176.61 2jn6 h LEU 40 N 0.99 0.48 -0.74 2.58 5.85 -1.01 -2.93 115.31 120.53 2jn6 h LEU 40 Ca 0.25 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.89 2jn6 h LEU 40 Cb 0.08 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 2jn6 h LEU 40 CO -0.03 0.46 0.45 0.50 -0.34 0.00 0.00 178.44 179.48 2jn6 h LYS 41 N 0.46 0.84 -0.71 1.25 3.64 -0.17 -2.30 116.57 119.58 2jn6 h LYS 41 Ca 0.13 -0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.58 2jn6 h LYS 41 Cb 0.11 -0.19 -0.09 0.00 -0.41 0.00 0.00 32.23 31.66 2jn6 h LYS 41 CO -0.02 0.55 0.29 -0.91 -2.27 0.00 0.00 179.45 177.09 2jn6 h ASN 42 N 0.86 0.29 -0.37 4.20 4.21 -0.83 0.31 115.58 124.26 2jn6 h ASN 42 Ca 0.31 0.09 -0.10 0.00 1.21 0.00 0.00 56.30 57.81 2jn6 h ASN 42 Cb 0.08 0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.34 2jn6 h ASN 42 CO -0.14 0.14 -0.15 -0.50 -1.29 0.00 0.00 177.43 175.49 2jn6 h TRP 43 N 0.46 0.87 -0.70 1.19 6.55 -1.41 -2.82 115.95 120.08 2jn6 h TRP 43 Ca 0.38 -0.21 -0.01 0.00 0.95 0.00 0.00 58.89 60.00 2jn6 h TRP 43 Cb 0.52 -0.20 -0.03 0.00 -0.86 0.00 0.00 29.16 28.58 2jn6 h TRP 43 CO -0.16 0.93 0.40 0.82 -1.05 0.00 0.00 178.44 179.38 2jn6 h ILE 44 N 0.55 1.20 0.37 1.49 2.04 -0.59 0.57 117.51 123.14 2jn6 h ILE 44 Ca 0.09 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 2jn6 h ILE 44 Cb 0.69 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2jn6 h ILE 44 CO 0.05 0.22 -0.18 0.40 0.00 0.00 0.00 178.15 178.64 2jn6 h ILE 45 N 0.96 0.64 0.00 -0.67 2.04 -0.37 -0.83 117.51 119.29 2jn6 h ILE 45 Ca 0.25 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2jn6 h ILE 45 Cb -0.01 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2jn6 h ILE 45 CO -0.04 0.05 -0.00 0.50 0.00 0.00 0.00 178.15 178.65 2jn6 h LYS 46 N -0.64 -0.01 0.00 2.37 3.64 -1.26 -2.48 116.57 118.20 2jn6 h LYS 46 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2jn6 h LYS 46 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2jn6 h LYS 46 CO 0.08 0.73 0.00 1.88 -2.27 0.00 0.00 179.45 179.87 2jn6 h TYR 47 N -0.75 0.00 -0.55 1.91 -1.99 -1.03 -3.00 116.97 111.56 2jn6 h TYR 47 Ca -0.00 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 60.45 2jn6 h TYR 47 Cb 0.74 0.00 -0.17 0.00 2.00 0.00 0.00 36.73 39.30 2jn6 h TYR 47 CO 0.19 0.00 0.14 0.41 -0.00 0.00 0.00 178.16 178.90 2jn6 n GLY 48 N 1.09 4.76 0.06 3.88 0.00 -0.32 -4.15 105.19 110.52 2jn6 n GLY 48 Ca 0.04 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 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 1.04 -0.01 0.00 1.61 0.02 -1.29 -3.46 113.55 111.46 2jn6 h SER 49 Ca 0.34 -0.62 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2jn6 h SER 49 Cb 2.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.57 2jn6 h SER 49 CO 0.61 0.62 0.00 -3.20 -1.14 0.00 0.00 176.83 173.71 2jn6 n ASN 50 N -4.79 -0.10 0.00 3.07 5.15 -1.26 -5.02 115.26 112.31 2jn6 n ASN 50 Ca -0.09 0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 2jn6 n ASN 50 Cb 0.31 0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.80 2jn6 n ASN 50 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2jn6 n HIS 51 N -2.57 0.00 -2.47 1.20 -0.00 -1.26 -5.12 115.22 105.00 2jn6 n HIS 51 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 2jn6 n HIS 51 Cb 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.84 2jn6 n HIS 51 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 2jn6 n ASN 52 N -0.22 -2.97 0.11 0.26 5.15 -1.26 -4.85 115.26 111.48 2jn6 n ASN 52 Ca 0.00 1.18 -0.24 0.00 -0.60 0.00 0.00 54.58 54.93 2jn6 n ASN 52 Cb 0.00 -4.69 -0.15 0.00 -0.53 0.00 0.00 39.78 34.41 2jn6 n ASN 52 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2jn6 h VAL 53 N 3.18 1.13 -2.25 3.44 2.07 -1.95 -3.42 116.25 118.45 2jn6 h VAL 53 Ca -0.31 -2.60 -0.61 0.00 0.82 0.00 0.00 66.70 64.00 2jn6 h VAL 53 Cb 0.71 2.92 -0.12 0.00 -1.52 0.00 0.00 31.29 33.28 2jn6 h VAL 53 CO 0.04 0.83 0.92 -1.10 0.02 0.00 0.00 177.57 178.27 2jn6 s GLN 54 N -2.58 3.30 0.54 1.57 -1.52 -1.26 -4.84 119.66 114.86 2jn6 s GLN 54 Ca -0.12 -0.85 0.25 0.00 -1.95 0.00 0.00 55.36 52.69 2jn6 s GLN 54 Cb 0.04 -4.52 1.53 0.00 -0.22 0.00 0.00 33.01 29.84 2jn6 s GLN 54 CO 0.90 -1.98 2.15 0.78 -0.25 0.00 0.00 175.29 176.89 2jn6 h GLY 55 N 11.98 0.00 -2.88 3.09 0.00 -1.99 -3.48 103.07 109.79 2jn6 h GLY 55 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2jn6 h GLY 55 CO 1.25 0.00 -0.32 2.41 0.00 0.00 0.00 176.54 179.87 2jn6 n THR 56 N -3.92 -5.75 -3.29 4.70 -1.04 -1.26 -5.01 114.28 98.71 2jn6 n THR 56 Ca -0.03 1.04 -0.06 0.00 -2.04 0.00 0.00 64.05 62.96 2jn6 n THR 56 Cb 0.15 -4.02 -0.06 0.00 -1.82 0.00 0.00 70.33 64.59 2jn6 n THR 56 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2jn6 s THR 57 N -0.20 -0.71 -0.82 12.58 2.01 -1.26 -5.06 115.64 122.18 2jn6 s THR 57 Ca 0.00 -0.14 -0.25 0.00 0.31 0.00 0.00 61.69 61.61 2jn6 s THR 57 Cb 0.00 -0.92 -0.01 0.00 0.01 0.00 0.00 72.50 71.58 2jn6 s THR 57 CO 0.00 -0.16 1.71 -2.84 -0.69 0.00 0.00 174.62 172.64 2jn6 s PRO 58 N 2.61 2.90 -0.20 4.92 0.02 -1.26 -4.80 135.00 139.19 2jn6 s PRO 58 Ca 0.12 -0.22 -0.19 0.00 0.02 0.00 0.00 61.00 60.73 2jn6 s PRO 58 Cb -0.14 -4.81 -0.16 0.00 0.02 0.00 0.00 34.50 29.41 2jn6 s PRO 58 CO -0.23 -2.76 0.15 0.77 -0.33 0.00 0.00 177.00 174.60 2jn6 h SER 59 N 11.75 0.00 1.77 2.53 0.02 -2.03 -3.39 113.55 124.20 2jn6 h SER 59 Ca -0.04 -0.42 -0.01 0.00 -0.84 0.00 0.00 61.79 60.48 2jn6 h SER 59 Cb 1.06 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.59 2jn6 h SER 59 CO 1.27 1.37 -0.05 0.00 -1.14 0.00 0.00 176.83 178.29 2jn6 h ALA 60 N -0.58 0.97 0.00 3.77 0.00 -2.05 -3.20 119.26 118.18 2jn6 h ALA 60 Ca -0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2jn6 h ALA 60 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2jn6 h ALA 60 CO -0.18 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.13 2jn6 n ALA 61 N -2.11 2.16 -0.04 0.00 0.00 -1.26 -3.06 120.51 116.20 2jn6 n ALA 61 Ca 0.03 -0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.21 2jn6 n ALA 61 Cb 0.51 -1.36 -0.09 0.00 0.00 0.00 0.00 19.45 18.52 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 1.39 -0.02 0.00 2.07 -1.75 -1.92 116.25 116.02 2jn6 h VAL 62 Ca 0.00 -1.69 -0.18 0.00 0.82 0.00 0.00 66.70 65.64 2jn6 h VAL 62 Cb 0.18 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 2jn6 h VAL 62 CO 0.00 0.50 -0.80 0.28 0.02 0.00 0.00 177.57 177.57 2jn6 h SER 63 N -0.03 0.26 0.50 0.57 0.02 -1.79 -3.06 113.55 110.02 2jn6 h SER 63 Ca -0.02 -0.19 -0.12 0.00 -0.84 0.00 0.00 61.79 60.62 2jn6 h SER 63 Cb 0.98 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 2jn6 h SER 63 CO 0.07 0.95 -0.55 -0.08 -1.14 0.00 0.00 176.83 176.09 2jn6 h GLU 64 N 0.13 0.05 -0.13 3.45 4.81 -1.60 -3.01 114.58 118.28 2jn6 h GLU 64 Ca -0.03 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2jn6 h GLU 64 Cb 1.39 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.77 2jn6 h GLU 64 CO 0.12 0.58 0.12 0.00 -0.73 0.00 0.00 179.01 179.10 2jn6 h ALA 65 N 1.41 1.92 -0.19 2.92 0.00 -1.23 -0.78 119.26 123.31 2jn6 h ALA 65 Ca -0.00 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2jn6 h ALA 65 Cb 0.98 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2jn6 h ALA 65 CO 0.07 -0.18 0.06 1.49 0.00 0.00 0.00 179.25 180.69 2jn6 h GLU 66 N 0.00 0.15 0.04 0.00 4.57 -1.63 0.14 114.58 117.84 2jn6 h GLU 66 Ca 0.06 -0.01 -0.22 0.00 -1.18 0.00 0.00 59.36 58.01 2jn6 h GLU 66 Cb 0.29 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 2jn6 h GLU 66 CO -0.00 0.10 -1.02 1.96 -1.18 0.00 0.00 179.01 178.87 2jn6 h GLN 67 N 0.15 0.13 -0.56 1.92 4.20 -1.46 -3.24 115.11 116.25 2jn6 h GLN 67 Ca 0.08 -0.19 -0.10 0.00 0.06 0.00 0.00 58.65 58.49 2jn6 h GLN 67 Cb 0.05 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2jn6 h GLN 67 CO -0.08 1.04 -0.06 0.82 -0.67 0.00 0.00 178.83 179.88 2jn6 h ILE 68 N 0.05 1.27 -0.38 2.54 1.08 -0.97 -3.06 117.51 118.04 2jn6 h ILE 68 Ca -0.05 -1.21 0.11 0.00 -0.39 0.00 0.00 64.86 63.32 2jn6 h ILE 68 Cb 1.73 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 36.37 2jn6 h ILE 68 CO 0.15 0.43 0.30 -0.09 -0.69 0.00 0.00 178.15 178.25 2jn6 h ARG 69 N 0.91 0.00 0.12 2.37 2.43 -0.75 0.63 114.38 120.09 2jn6 h ARG 69 Ca 0.15 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2jn6 h ARG 69 Cb 0.62 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2jn6 h ARG 69 CO 0.04 0.00 -0.06 0.37 -1.51 0.00 0.00 179.97 178.81 2jn6 h GLN 70 N 0.00 -0.15 0.12 0.20 4.15 -1.66 -1.24 115.11 116.52 2jn6 h GLN 70 Ca 0.18 0.01 -0.28 0.00 0.77 0.00 0.00 58.65 59.33 2jn6 h GLN 70 Cb 0.78 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.50 2jn6 h GLN 70 CO -0.00 -0.01 -1.36 1.25 -1.93 0.00 0.00 178.83 176.78 2jn6 h LEU 71 N -0.26 0.38 -1.23 -2.39 6.46 -1.31 -3.29 115.31 113.66 2jn6 h LEU 71 Ca -0.02 -0.46 -0.02 0.00 -0.12 0.00 0.00 57.88 57.26 2jn6 h LEU 71 Cb 0.21 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.02 2jn6 h LEU 71 CO 0.03 1.37 -0.10 0.50 -0.62 0.00 0.00 178.44 179.61 2jn6 h LYS 72 N 0.07 0.00 -3.99 1.25 3.11 0.18 -3.48 116.57 113.71 2jn6 h LYS 72 Ca -0.18 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.67 2jn6 h LYS 72 Cb 1.98 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 33.20 2jn6 h LYS 72 CO 0.18 0.10 -0.51 1.63 -2.81 0.00 0.00 179.45 178.05 2jn6 n LYS 73 N -3.24 -1.73 -3.70 1.90 5.02 -0.47 -5.02 118.16 110.92 2jn6 n LYS 73 Ca 0.01 1.63 -0.25 0.00 -2.02 0.00 0.00 58.31 57.67 2jn6 n LYS 73 Cb 0.37 -3.04 -0.17 0.00 -0.02 0.00 0.00 35.03 32.17 2jn6 n LYS 73 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2jn6 s GLU 74 N -0.78 0.39 0.00 1.97 2.02 -1.21 -4.89 118.70 116.21 2jn6 s GLU 74 Ca -0.02 -0.13 0.00 0.00 0.02 0.00 0.00 54.97 54.84 2jn6 s GLU 74 Cb 0.00 -1.63 0.00 0.00 0.10 0.00 0.00 34.13 32.60 2jn6 s GLU 74 CO 0.37 -0.55 0.00 -1.71 0.02 0.00 0.00 175.26 173.39 2jn6 n ASN 75 N 5.16 0.00 0.25 -0.19 2.85 -1.26 -4.95 115.26 117.12 2jn6 n ASN 75 Ca -0.07 0.00 0.18 0.00 -0.11 0.00 0.00 54.58 54.57 2jn6 n ASN 75 Cb 0.49 0.00 0.86 0.00 1.24 0.00 0.00 39.78 42.36 2jn6 n ASN 75 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jn6 h ALA 76 N 0.00 1.57 0.19 5.20 0.00 -1.96 -1.89 119.26 122.37 2jn6 h ALA 76 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jn6 h ALA 76 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2jn6 h ALA 76 CO 0.00 -0.35 -0.15 -0.07 0.00 0.00 0.00 179.25 178.68 2jn6 h LEU 77 N 0.00 -0.38 0.02 0.00 3.38 -1.98 -0.12 115.31 116.23 2jn6 h LEU 77 Ca 0.06 0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.83 2jn6 h LEU 77 Cb 0.63 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2jn6 h LEU 77 CO -0.00 -0.23 -1.17 0.06 0.09 0.00 0.00 178.44 177.19 2jn6 h GLN 78 N -0.35 0.04 0.00 1.13 3.07 -1.81 -3.25 115.11 113.95 2jn6 h GLN 78 Ca -0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 58.65 58.65 2jn6 h GLN 78 Cb 0.31 0.03 -0.00 0.00 0.08 0.00 0.00 27.48 27.89 2jn6 h GLN 78 CO -0.01 0.94 -0.06 -0.09 0.09 0.00 0.00 178.83 179.70 2jn6 h ARG 79 N 0.01 0.00 0.00 0.06 9.65 -1.27 -2.65 114.38 120.18 2jn6 h ARG 79 Ca -0.08 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 2jn6 h ARG 79 Cb 1.84 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 30.42 2jn6 h ARG 79 CO 0.13 0.06 -0.00 0.00 2.80 0.00 0.00 179.97 182.96 2jn6 h ALA 80 N 1.94 1.07 0.00 2.80 0.00 -1.05 -0.45 119.26 123.58 2jn6 h ALA 80 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jn6 h ALA 80 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2jn6 h ALA 80 CO 0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.80 2jn6 n ARG 81 N -3.19 0.02 -0.07 0.00 1.74 -1.00 -2.53 116.66 111.63 2jn6 n ARG 81 Ca -0.03 0.20 0.09 0.00 -0.77 0.00 0.00 57.85 57.34 2jn6 n ARG 81 Cb 0.08 -1.53 0.38 0.00 -1.02 0.00 0.00 32.46 30.37 2jn6 n ARG 81 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2jn6 n THR 82 N -1.57 0.18 -3.20 0.55 -1.04 -0.18 -4.88 114.28 104.15 2jn6 n THR 82 Ca 0.04 -0.27 -0.30 0.00 -2.04 0.00 0.00 64.05 61.48 2jn6 n THR 82 Cb 0.22 0.20 -0.04 0.00 -1.82 0.00 0.00 70.33 68.89 2jn6 n THR 82 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2jn6 s ARG 83 N -1.82 3.76 0.27 -2.82 0.52 -1.05 -5.10 118.95 112.71 2jn6 s ARG 83 Ca 0.29 0.28 0.10 0.00 -0.52 0.00 0.00 55.73 55.88 2jn6 s ARG 83 Cb 0.15 -2.55 -0.04 0.00 0.52 0.00 0.00 34.95 33.03 2jn6 s ARG 83 CO 0.23 0.16 -0.01 -1.01 0.02 0.00 0.00 175.30 174.69 2jn6 s HIS 84 N -2.08 2.67 1.23 -0.53 3.76 -1.26 -5.13 115.29 113.95 2jn6 s HIS 84 Ca 0.48 -0.24 -0.17 0.00 -0.15 0.00 0.00 55.06 54.98 2jn6 s HIS 84 Cb -0.11 -1.20 0.26 0.00 1.11 0.00 0.00 32.58 32.65 2jn6 s HIS 84 CO 0.27 0.62 0.64 -2.30 -0.85 0.00 0.00 174.74 173.12 2jn6 n PRO 85 N -0.89 -2.89 -0.96 8.40 -0.02 -1.26 -4.90 135.00 132.48 2jn6 n PRO 85 Ca -0.06 -0.83 -0.06 0.00 -2.02 0.00 0.00 63.50 60.53 2jn6 n PRO 85 Cb 0.59 -1.91 0.29 0.00 -0.02 0.00 0.00 33.50 32.45 2jn6 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jn6 n ALA 86 N -5.03 4.46 -0.16 3.55 0.00 -1.26 -4.43 120.51 117.64 2jn6 n ALA 86 Ca 0.05 -2.16 -0.08 0.00 0.00 0.00 0.00 53.44 51.25 2jn6 n ALA 86 Cb 0.56 -1.24 0.01 0.00 0.00 0.00 0.00 19.45 18.77 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 2.53 0.67 0.00 0.00 4.11 -2.01 -1.81 114.58 118.07 2jn6 h GLU 87 Ca 0.25 -0.07 -0.05 0.00 0.07 0.00 0.00 59.36 59.56 2jn6 h GLU 87 Cb 2.24 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 31.35 2jn6 h GLU 87 CO 0.70 0.51 -0.23 0.77 0.07 0.00 0.00 179.01 180.83 2jn6 h SER 88 N 0.64 0.00 0.24 3.06 0.02 -1.99 -3.16 113.55 112.36 2jn6 h SER 88 Ca 0.17 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.91 2jn6 h SER 88 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2jn6 h SER 88 CO -0.03 0.23 -0.85 0.00 -1.14 0.00 0.00 176.83 175.04 2jn6 h LEU 90 N 0.29 0.00 -1.11 0.00 8.10 -1.35 -2.58 115.31 118.65 2jn6 h LEU 90 Ca -0.06 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.84 2jn6 h LEU 90 Cb 1.47 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.67 2jn6 h LEU 90 CO 0.15 0.00 -0.41 -0.33 -4.11 0.00 0.00 178.44 173.74 2jn6 h GLU 91 N 0.00 0.06 -5.32 0.17 4.39 -1.52 -3.37 114.58 108.99 2jn6 h GLU 91 Ca -0.00 -0.03 -0.70 0.00 0.34 0.00 0.00 59.36 58.97 2jn6 h GLU 91 Cb 0.72 -0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.26 2jn6 h GLU 91 CO 0.00 0.47 1.99 0.72 -1.16 0.00 0.00 179.01 181.03 2jn6 n HIS 92 N -4.04 4.65 -3.78 4.33 8.25 -0.97 -4.88 115.22 118.78 2jn6 n HIS 92 Ca -0.02 -3.01 -0.13 0.00 -0.26 0.00 0.00 57.72 54.30 2jn6 n HIS 92 Cb 0.45 -2.47 -0.09 0.00 1.12 0.00 0.00 29.99 29.00 2jn6 n HIS 92 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jn6 s HIS 93 N 3.20 -0.15 0.00 4.41 3.76 -1.26 -5.05 115.29 120.20 2jn6 s HIS 93 Ca 0.50 0.22 0.00 0.00 -0.15 0.00 0.00 55.06 55.62 2jn6 s HIS 93 Cb 0.03 0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.79 2jn6 s HIS 93 CO 0.04 -0.36 0.00 0.72 -0.85 0.00 0.00 174.74 174.29 2jn6 n HIS 94 N 1.39 -1.63 -4.80 1.40 8.25 -1.26 -4.87 115.22 113.68 2jn6 n HIS 94 Ca -0.21 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 56.98 2jn6 n HIS 94 Cb 0.56 0.22 -0.15 0.00 1.12 0.00 0.00 29.99 31.74 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 0.00 1.81 -0.11 4.41 -3.43 -1.26 -5.13 115.29 111.59 2jn6 s HIS 95 Ca 0.00 -0.36 -0.15 0.00 -0.80 0.00 0.00 55.06 53.75 2jn6 s HIS 95 Cb 0.00 -1.12 -0.05 0.00 -1.43 0.00 0.00 32.58 29.98 2jn6 s HIS 95 CO 0.00 0.03 0.38 -1.58 -2.00 0.00 0.00 174.74 171.57 2jn6 s HIS 96 N -0.65 3.54 -2.86 0.38 2.46 -1.26 -5.28 115.29 111.61 2jn6 s HIS 96 Ca 0.08 0.78 0.23 0.00 0.47 0.00 0.00 55.06 56.61 2jn6 s HIS 96 Cb -0.08 -2.40 0.18 0.00 -0.13 0.00 0.00 32.58 30.15 2jn6 s HIS 96 CO 0.01 0.31 1.23 1.58 -2.47 0.00 0.00 174.74 175.39