#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jn6 s PRO 2 N 0.00 3.88 -0.46 0.03 0.04 -1.26 -5.01 135.00 132.22 2jn6 s PRO 2 Ca 0.00 1.47 -0.20 0.00 0.04 0.00 0.00 61.00 62.32 2jn6 s PRO 2 Cb 0.00 -2.27 0.03 0.00 0.04 0.00 0.00 34.50 32.30 2jn6 s PRO 2 CO 0.00 -0.38 0.60 0.95 0.04 0.00 0.00 177.00 178.21 2jn6 s THR 3 N -1.81 4.89 -0.20 1.26 -4.23 -1.26 -5.00 115.64 109.28 2jn6 s THR 3 Ca 0.64 -0.15 -0.04 0.00 -1.18 0.00 0.00 61.69 60.96 2jn6 s THR 3 Cb -0.20 -4.20 0.10 0.00 1.34 0.00 0.00 72.50 69.53 2jn6 s THR 3 CO 0.24 -0.63 0.24 -0.75 -0.54 0.00 0.00 174.62 173.18 2jn6 s LYS 4 N 2.65 0.20 0.45 3.99 2.47 -1.26 -5.15 119.74 123.09 2jn6 s LYS 4 Ca 0.18 0.25 -0.08 0.00 -1.56 0.00 0.00 55.97 54.77 2jn6 s LYS 4 Cb -0.16 -1.11 -0.05 0.00 -1.46 0.00 0.00 37.83 35.05 2jn6 s LYS 4 CO 0.16 -0.64 0.78 0.99 0.16 0.00 0.00 175.35 176.79 2jn6 s THR 5 N 2.35 4.86 -0.06 3.43 2.01 -1.26 -5.10 115.64 121.87 2jn6 s THR 5 Ca 0.07 0.39 -0.02 0.00 0.31 0.00 0.00 61.69 62.44 2jn6 s THR 5 Cb -0.16 -3.80 0.04 0.00 0.01 0.00 0.00 72.50 68.59 2jn6 s THR 5 CO -0.12 -0.70 0.12 -0.31 -0.69 0.00 0.00 174.62 172.91 2jn6 s TYR 6 N -2.58 -0.11 0.41 4.92 2.02 -1.26 -5.15 117.35 115.61 2jn6 s TYR 6 Ca 0.49 0.40 -0.25 0.00 -0.37 0.00 0.00 57.07 57.34 2jn6 s TYR 6 Cb -0.10 -0.14 -0.08 0.00 -0.40 0.00 0.00 41.96 41.23 2jn6 s TYR 6 CO 0.39 -0.16 1.20 -1.54 -1.57 0.00 0.00 175.55 173.88 2jn6 s SER 7 N 1.25 6.41 0.27 2.29 1.04 -1.26 -4.93 113.70 118.78 2jn6 s SER 7 Ca -0.08 2.42 -0.04 0.00 0.48 0.00 0.00 55.95 58.73 2jn6 s SER 7 Cb -0.12 -2.62 0.35 0.00 0.10 0.00 0.00 66.02 63.73 2jn6 s SER 7 CO -0.05 -0.76 1.93 -0.33 0.98 0.00 0.00 173.24 175.01 2jn6 h GLU 8 N 2.56 1.22 -0.82 4.02 5.08 -2.01 -2.51 114.58 122.13 2jn6 h GLU 8 Ca -0.49 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 57.87 2jn6 h GLU 8 Cb 1.24 -0.27 -0.06 0.00 0.50 0.00 0.00 28.75 30.15 2jn6 h GLU 8 CO 0.62 0.81 0.49 0.93 -1.00 0.00 0.00 179.01 180.85 2jn6 h GLU 9 N 1.26 0.84 -0.25 2.33 4.39 -1.98 0.42 114.58 121.58 2jn6 h GLU 9 Ca 0.37 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.95 2jn6 h GLU 9 Cb -0.07 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.39 2jn6 h GLU 9 CO -0.10 0.56 -0.12 0.35 -1.16 0.00 0.00 179.01 178.54 2jn6 h PHE 10 N 0.86 0.60 -0.44 4.33 3.57 -1.85 -1.51 116.94 122.50 2jn6 h PHE 10 Ca 0.37 -0.15 -0.09 0.00 3.53 0.00 0.00 57.97 61.63 2jn6 h PHE 10 Cb 0.24 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 2jn6 h PHE 10 CO -0.05 0.78 -0.11 0.87 -2.23 0.00 0.00 178.31 177.57 2jn6 h LYS 11 N 0.24 0.79 -0.38 1.11 1.57 -1.05 -2.26 116.57 116.59 2jn6 h LYS 11 Ca 0.06 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.45 2jn6 h LYS 11 Cb 0.62 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2jn6 h LYS 11 CO 0.04 0.87 -0.24 0.00 -0.57 0.00 0.00 179.45 179.55 2jn6 h ARG 12 N 0.72 0.78 -0.51 3.15 3.08 -0.13 -2.65 114.38 118.81 2jn6 h ARG 12 Ca 0.12 -0.32 -0.07 0.00 0.07 0.00 0.00 59.98 59.78 2jn6 h ARG 12 Cb 0.59 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2jn6 h ARG 12 CO 0.04 0.94 0.04 0.22 -1.07 0.00 0.00 179.97 180.13 2jn6 h ASP 13 N 0.67 0.80 -0.30 7.04 3.58 -0.95 -1.86 116.42 125.41 2jn6 h ASP 13 Ca 0.09 -0.18 -0.05 0.00 0.42 0.00 0.00 57.03 57.31 2jn6 h ASP 13 Cb 0.76 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 2jn6 h ASP 13 CO 0.06 0.84 0.03 0.00 -2.88 0.00 0.00 179.24 177.29 2jn6 h ALA 14 N 1.25 1.32 -0.34 -0.78 0.00 -1.25 -1.78 119.26 117.69 2jn6 h ALA 14 Ca 0.16 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2jn6 h ALA 14 Cb 0.42 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2jn6 h ALA 14 CO 0.01 0.47 -0.16 0.28 0.00 0.00 0.00 179.25 179.85 2jn6 h VAL 15 N 0.59 1.25 -0.30 0.00 2.07 -1.01 -2.42 116.25 116.43 2jn6 h VAL 15 Ca 0.13 -1.17 -0.08 0.00 0.82 0.00 0.00 66.70 66.40 2jn6 h VAL 15 Cb 0.33 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2jn6 h VAL 15 CO 0.01 0.38 -0.16 0.00 0.02 0.00 0.00 177.57 177.83 2jn6 h ALA 16 N 1.27 1.17 -0.57 1.67 0.00 -0.64 -1.98 119.26 120.18 2jn6 h ALA 16 Ca 0.09 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2jn6 h ALA 16 Cb 0.59 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2jn6 h ALA 16 CO 0.04 0.53 0.20 -0.07 0.00 0.00 0.00 179.25 179.95 2jn6 h LEU 17 N 0.49 0.77 -0.79 0.00 -0.00 -0.93 -1.93 115.31 112.91 2jn6 h LEU 17 Ca 0.08 -0.11 -0.06 0.00 -0.00 0.00 0.00 57.88 57.80 2jn6 h LEU 17 Cb 0.56 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 40.98 2jn6 h LEU 17 CO 0.04 0.71 0.25 0.22 -0.00 0.00 0.00 178.44 179.66 2jn6 h TYR 18 N 0.82 1.19 -0.17 1.13 3.20 -0.91 -2.17 116.97 120.06 2jn6 h TYR 18 Ca 0.19 -0.11 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 2jn6 h TYR 18 Cb 0.20 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 2jn6 h TYR 18 CO 0.01 0.93 -0.19 0.93 -1.64 0.00 0.00 178.16 178.19 2jn6 h GLU 19 N 1.11 0.30 -1.20 1.82 4.39 -1.01 -2.82 114.58 117.17 2jn6 h GLU 19 Ca 0.24 -0.09 -0.51 0.00 0.34 0.00 0.00 59.36 59.35 2jn6 h GLU 19 Cb 0.28 -0.03 -0.23 0.00 -0.10 0.00 0.00 28.75 28.68 2jn6 h GLU 19 CO -0.01 0.49 0.66 0.09 -1.16 0.00 0.00 179.01 179.08 2jn6 n ASN 20 N -4.20 6.77 0.05 1.42 3.02 -0.76 -4.48 115.26 117.07 2jn6 n ASN 20 Ca -0.01 -3.45 0.13 0.00 -0.03 0.00 0.00 54.58 51.23 2jn6 n ASN 20 Cb 0.33 -0.99 0.50 0.00 -0.61 0.00 0.00 39.78 39.02 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 -0.41 0.38 -0.28 6.41 3.41 -1.06 -3.61 113.62 118.45 2jn6 n SER 21 Ca 0.48 0.54 0.10 0.00 -0.26 0.00 0.00 58.87 59.74 2jn6 n SER 21 Cb 0.71 -0.64 0.25 0.00 -0.26 0.00 0.00 64.21 64.27 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 -0.04 -0.01 4.04 3.32 -1.86 -1.21 116.42 120.65 2jn6 h ASP 22 Ca 0.00 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2jn6 h ASP 22 Cb 0.57 0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2jn6 h ASP 22 CO 0.00 -0.12 -0.26 0.61 -1.72 0.00 0.00 179.24 177.74 2jn6 n GLY 23 N -1.38 -0.05 2.88 2.75 0.00 -1.25 -4.93 105.19 103.21 2jn6 n GLY 23 Ca 0.19 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.69 1.39 0.55 4.61 0.00 -0.46 -5.12 121.76 121.04 2jn6 s ALA 24 Ca 0.13 -0.74 -0.21 0.00 0.00 0.00 0.00 51.96 51.14 2jn6 s ALA 24 Cb 0.12 -1.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.12 2jn6 s ALA 24 CO 0.34 -0.72 1.33 -1.12 0.00 0.00 0.00 175.76 175.59 2jn6 s SER 25 N 1.67 5.27 0.24 0.00 0.01 -1.26 -4.19 113.70 115.45 2jn6 s SER 25 Ca 0.02 2.69 -0.05 0.00 1.31 0.00 0.00 55.95 59.92 2jn6 s SER 25 Cb -0.15 -2.63 0.33 0.00 0.21 0.00 0.00 66.02 63.79 2jn6 s SER 25 CO -0.08 -1.56 1.86 0.25 0.41 0.00 0.00 173.24 174.12 2jn6 h LEU 26 N 1.39 0.88 -0.33 2.44 6.46 -1.96 0.38 115.31 124.57 2jn6 h LEU 26 Ca -0.51 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.30 2jn6 h LEU 26 Cb 1.30 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 41.02 2jn6 h LEU 26 CO 0.57 0.57 0.12 -0.61 -0.62 0.00 0.00 178.44 178.47 2jn6 h GLN 27 N 1.02 0.26 -0.14 1.25 5.75 -1.99 -2.77 115.11 118.49 2jn6 h GLN 27 Ca 0.38 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.84 2jn6 h GLN 27 Cb 0.14 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 2jn6 h GLN 27 CO -0.16 0.17 -0.04 0.37 -2.65 0.00 0.00 178.83 176.52 2jn6 h GLN 28 N 0.27 0.21 0.47 1.69 5.75 -1.34 0.26 115.11 122.41 2jn6 h GLN 28 Ca 0.14 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 2jn6 h GLN 28 Cb 0.11 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 2jn6 h GLN 28 CO -0.14 0.26 -0.29 0.82 -2.65 0.00 0.00 178.83 176.83 2jn6 h ILE 29 N 0.20 0.40 -0.11 2.39 1.08 -0.85 0.28 117.51 120.91 2jn6 h ILE 29 Ca 0.05 0.00 -0.14 0.00 -0.39 0.00 0.00 64.86 64.37 2jn6 h ILE 29 Cb 0.20 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.35 2jn6 h ILE 29 CO 0.01 0.00 -0.56 0.00 -0.69 0.00 0.00 178.15 176.91 2jn6 h ALA 30 N -0.24 0.84 -0.03 1.87 0.00 -1.43 -2.96 119.26 117.31 2jn6 h ALA 30 Ca -0.05 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.25 2jn6 h ALA 30 Cb 0.59 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2jn6 h ALA 30 CO 0.05 0.70 -0.40 -0.97 0.00 0.00 0.00 179.25 178.63 2jn6 h ASN 31 N 0.26 0.07 -0.10 0.00 -1.24 -0.28 0.86 115.58 115.15 2jn6 h ASN 31 Ca 0.00 -0.03 -0.16 0.00 0.71 0.00 0.00 56.30 56.83 2jn6 h ASN 31 Cb 1.06 -0.02 0.01 0.00 0.73 0.00 0.00 38.32 40.10 2jn6 h ASN 31 CO 0.09 0.46 -0.55 -0.78 -1.29 0.00 0.00 177.43 175.36 2jn6 h ASP 32 N 0.06 0.65 1.46 1.15 3.58 -0.36 -3.20 116.42 119.77 2jn6 h ASP 32 Ca 0.00 -0.65 0.00 0.00 0.42 0.00 0.00 57.03 56.80 2jn6 h ASP 32 Cb 0.73 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2jn6 h ASP 32 CO 0.05 1.20 0.00 -0.07 -2.88 0.00 0.00 179.24 177.55 2jn6 h LEU 33 N 0.15 0.00 -0.92 2.28 4.07 -1.34 -3.47 115.31 116.08 2jn6 h LEU 33 Ca -0.04 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.89 2jn6 h LEU 33 Cb 1.20 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.95 2jn6 h LEU 33 CO 0.11 0.00 -0.05 0.61 -1.08 0.00 0.00 178.44 178.04 2jn6 n GLY 34 N 0.90 0.82 3.42 0.83 0.00 0.14 -5.06 105.19 106.25 2jn6 n GLY 34 Ca 0.04 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.97 1.13 0.38 -0.61 -4.36 -0.29 -5.03 121.20 109.44 2jn6 s ILE 35 Ca 0.04 -2.01 -0.26 0.00 -0.26 0.00 0.00 60.65 58.16 2jn6 s ILE 35 Cb -0.02 -2.72 -0.09 0.00 1.25 0.00 0.00 42.46 40.88 2jn6 s ILE 35 CO 0.05 -0.04 1.17 0.21 0.24 0.00 0.00 174.94 176.57 2jn6 s ASN 36 N -3.45 6.61 0.26 4.36 2.47 -1.26 -4.37 114.94 119.56 2jn6 s ASN 36 Ca 0.36 2.36 0.06 0.00 0.42 0.00 0.00 52.86 56.05 2jn6 s ASN 36 Cb 0.08 -2.62 0.32 0.00 -1.45 0.00 0.00 41.25 37.58 2jn6 s ASN 36 CO 0.15 -0.62 1.60 -0.09 -3.72 0.00 0.00 177.10 174.42 2jn6 h ARG 37 N 2.79 0.21 -0.33 0.43 2.43 -1.94 -0.30 114.38 117.67 2jn6 h ARG 37 Ca -0.49 -0.13 -0.13 0.00 -0.81 0.00 0.00 59.98 58.42 2jn6 h ARG 37 Cb 1.23 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 2jn6 h ARG 37 CO 0.63 0.71 -0.31 0.28 -1.51 0.00 0.00 179.97 179.77 2jn6 h VAL 38 N 0.16 1.29 -0.45 0.20 2.07 -1.99 -0.87 116.25 116.66 2jn6 h VAL 38 Ca -0.00 -1.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.00 2jn6 h VAL 38 Cb 1.03 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 2jn6 h VAL 38 CO 0.08 0.48 0.09 0.74 0.02 0.00 0.00 177.57 178.99 2jn6 h THR 39 N 0.57 1.20 0.30 2.57 2.02 -1.89 0.34 112.91 118.02 2jn6 h THR 39 Ca 0.06 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 2jn6 h THR 39 Cb 0.89 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2jn6 h THR 39 CO 0.08 0.27 -0.14 0.25 0.37 0.00 0.00 175.52 176.34 2jn6 h LEU 40 N 0.66 -0.34 -1.55 2.58 5.85 -0.83 -2.85 115.31 118.83 2jn6 h LEU 40 Ca 0.15 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2jn6 h LEU 40 Cb 0.27 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2jn6 h LEU 40 CO -0.00 -0.20 0.18 0.50 -0.34 0.00 0.00 178.44 178.58 2jn6 h LYS 41 N -0.46 0.47 0.17 1.25 3.64 -0.76 -1.71 116.57 119.18 2jn6 h LYS 41 Ca -0.04 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2jn6 h LYS 41 Cb 0.35 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 2jn6 h LYS 41 CO 0.07 0.37 -0.41 -0.97 -2.27 0.00 0.00 179.45 176.23 2jn6 h ASN 42 N 0.48 -1.19 -0.78 4.20 -0.73 -0.80 -0.31 115.58 116.45 2jn6 h ASN 42 Ca 0.12 0.13 0.05 0.00 1.87 0.00 0.00 56.30 58.47 2jn6 h ASN 42 Cb 0.04 0.44 -0.05 0.00 0.27 0.00 0.00 38.32 39.02 2jn6 h ASN 42 CO -0.02 -0.50 0.48 -0.50 -0.37 0.00 0.00 177.43 176.53 2jn6 h TRP 43 N -0.68 0.90 -0.92 0.67 6.55 -1.19 -2.22 115.95 119.05 2jn6 h TRP 43 Ca 0.01 0.03 0.05 0.00 0.95 0.00 0.00 58.89 59.92 2jn6 h TRP 43 Cb 0.68 -0.29 -0.06 0.00 -0.86 0.00 0.00 29.16 28.64 2jn6 h TRP 43 CO -0.34 0.48 0.60 0.82 -1.05 0.00 0.00 178.44 178.96 2jn6 h ILE 44 N 0.91 1.12 -0.13 1.49 2.04 -0.78 -0.18 117.51 121.99 2jn6 h ILE 44 Ca 0.33 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 2jn6 h ILE 44 Cb 0.10 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.08 2jn6 h ILE 44 CO -0.14 0.20 -0.04 0.40 0.00 0.00 0.00 178.15 178.57 2jn6 h ILE 45 N 1.12 1.30 0.07 -0.67 2.04 -0.49 0.14 117.51 121.02 2jn6 h ILE 45 Ca 0.38 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 2jn6 h ILE 45 Cb 0.08 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2jn6 h ILE 45 CO -0.13 0.29 -0.03 0.50 0.00 0.00 0.00 178.15 178.78 2jn6 h LYS 46 N -0.06 -0.09 0.02 2.37 3.11 -0.97 -2.04 116.57 118.91 2jn6 h LYS 46 Ca 0.03 0.01 -0.21 0.00 -2.81 0.00 0.00 60.65 57.67 2jn6 h LYS 46 Cb 0.47 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.70 2jn6 h LYS 46 CO 0.01 0.21 -0.98 1.88 -2.81 0.00 0.00 179.45 177.77 2jn6 h TYR 47 N -0.40 0.09 0.00 1.91 0.05 -1.14 -2.96 116.97 114.53 2jn6 h TYR 47 Ca -0.01 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.71 2jn6 h TYR 47 Cb 0.34 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.08 2jn6 h TYR 47 CO 0.03 0.99 0.00 0.41 -1.05 0.00 0.00 178.16 178.54 2jn6 n GLY 48 N 1.21 -0.92 0.22 3.88 0.00 0.50 -2.41 105.19 107.67 2jn6 n GLY 48 Ca -0.02 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 45.99 2jn6 n GLY 48 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2jn6 h SER 49 N 0.00 0.00 0.00 1.61 0.87 -1.19 -3.47 113.55 111.37 2jn6 h SER 49 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jn6 h SER 49 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2jn6 h SER 49 CO 0.00 0.20 0.00 -3.20 -0.53 0.00 0.00 176.83 173.30 2jn6 n ASN 50 N -3.31 0.00 -3.60 6.23 2.85 -1.01 -4.57 115.26 111.86 2jn6 n ASN 50 Ca 0.01 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.21 2jn6 n ASN 50 Cb 0.45 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.31 2jn6 n ASN 50 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 2jn6 s HIS 51 N 0.00 0.31 -0.30 1.20 5.04 -1.26 -5.07 115.29 115.21 2jn6 s HIS 51 Ca 0.00 -0.55 -0.16 0.00 -1.54 0.00 0.00 55.06 52.81 2jn6 s HIS 51 Cb 0.00 -0.80 0.17 0.00 0.04 0.00 0.00 32.58 32.00 2jn6 s HIS 51 CO 0.00 -0.62 1.17 1.21 -2.34 0.00 0.00 174.74 174.16 2jn6 s ASN 52 N 2.10 -0.20 -0.05 9.88 2.47 -1.26 -5.11 114.94 122.76 2jn6 s ASN 52 Ca 0.04 0.13 -0.01 0.00 0.42 0.00 0.00 52.86 53.44 2jn6 s ASN 52 Cb -0.16 1.17 -0.00 0.00 -1.45 0.00 0.00 41.25 40.81 2jn6 s ASN 52 CO -0.18 -0.04 -0.01 1.62 -3.72 0.00 0.00 177.10 174.77 2jn6 h VAL 53 N 5.14 0.00 -2.32 -5.21 3.04 -2.00 -3.48 116.25 111.42 2jn6 h VAL 53 Ca -0.11 -0.48 -0.45 0.00 -1.01 0.00 0.00 66.70 64.65 2jn6 h VAL 53 Cb 1.18 0.00 0.02 0.00 -2.01 0.00 0.00 31.29 30.48 2jn6 h VAL 53 CO -0.19 0.00 -0.17 -1.10 -1.01 0.00 0.00 177.57 175.10 2jn6 s GLN 54 N -1.32 2.96 0.00 4.17 -0.21 -1.26 -5.10 119.66 118.91 2jn6 s GLN 54 Ca -0.01 -0.76 0.00 0.00 0.02 0.00 0.00 55.36 54.61 2jn6 s GLN 54 Cb 0.00 -2.64 0.00 0.00 1.00 0.00 0.00 33.01 31.37 2jn6 s GLN 54 CO 0.02 -0.26 0.00 0.41 -2.12 0.00 0.00 175.29 173.34 2jn6 n GLY 55 N -1.98 0.36 2.94 3.09 0.00 -1.26 -5.09 105.19 103.24 2jn6 n GLY 55 Ca 0.03 0.67 -0.01 0.00 0.00 0.00 0.00 46.02 46.71 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 0.00 -6.45 -3.42 2.61 -2.24 -1.26 -5.04 114.28 98.48 2jn6 n THR 56 Ca 0.00 1.17 -0.19 0.00 -2.27 0.00 0.00 64.05 62.75 2jn6 n THR 56 Cb 0.00 -4.59 -0.10 0.00 -2.10 0.00 0.00 70.33 63.53 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 -0.91 -0.33 -0.51 4.28 2.01 -1.26 -5.11 115.64 113.81 2jn6 s THR 57 Ca -0.05 -0.58 -0.26 0.00 0.31 0.00 0.00 61.69 61.11 2jn6 s THR 57 Cb 0.00 -0.97 0.03 0.00 0.01 0.00 0.00 72.50 71.57 2jn6 s THR 57 CO 0.35 -0.53 1.00 -2.16 -0.69 0.00 0.00 174.62 172.60 2jn6 s PRO 58 N 2.25 3.49 0.31 4.92 0.05 -1.26 -4.91 135.00 139.86 2jn6 s PRO 58 Ca 0.10 0.10 0.12 0.00 0.05 0.00 0.00 61.00 61.38 2jn6 s PRO 58 Cb -0.14 -3.98 0.50 0.00 0.05 0.00 0.00 34.50 30.93 2jn6 s PRO 58 CO -0.32 -1.40 1.69 0.66 0.05 0.00 0.00 177.00 177.68 2jn6 h SER 59 N 9.25 0.00 0.63 6.66 4.64 -2.04 -2.88 113.55 129.81 2jn6 h SER 59 Ca -0.25 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2jn6 h SER 59 Cb 1.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2jn6 h SER 59 CO 1.08 0.52 -0.00 0.00 -0.87 0.00 0.00 176.83 177.56 2jn6 h ALA 60 N 1.48 1.00 0.00 5.18 0.00 -2.03 -2.58 119.26 122.31 2jn6 h ALA 60 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jn6 h ALA 60 Cb 0.96 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2jn6 h ALA 60 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.32 2jn6 n ALA 61 N -2.09 2.16 0.03 0.00 0.00 -1.09 -2.60 120.51 116.93 2jn6 n ALA 61 Ca -0.01 -0.10 -0.19 0.00 0.00 0.00 0.00 53.44 53.13 2jn6 n ALA 61 Cb 0.21 -1.37 -0.11 0.00 0.00 0.00 0.00 19.45 18.18 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 1.35 -0.24 0.00 2.07 -1.65 -0.89 116.25 116.89 2jn6 h VAL 62 Ca 0.00 -2.22 -0.12 0.00 0.82 0.00 0.00 66.70 65.17 2jn6 h VAL 62 Cb 0.23 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 2jn6 h VAL 62 CO 0.00 0.67 -0.37 0.28 0.02 0.00 0.00 177.57 178.17 2jn6 h SER 63 N 0.13 0.57 0.20 0.57 0.02 -1.70 -3.08 113.55 110.25 2jn6 h SER 63 Ca -0.12 -0.24 -0.19 0.00 -0.84 0.00 0.00 61.79 60.40 2jn6 h SER 63 Cb 1.57 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.95 2jn6 h SER 63 CO 0.17 0.89 -0.75 -0.08 -1.14 0.00 0.00 176.83 175.92 2jn6 h GLU 64 N 0.46 0.47 -0.85 3.45 4.81 -1.54 -3.18 114.58 118.19 2jn6 h GLU 64 Ca 0.05 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2jn6 h GLU 64 Cb 0.85 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.27 2jn6 h GLU 64 CO 0.07 1.02 0.55 0.00 -0.73 0.00 0.00 179.01 179.92 2jn6 h ALA 65 N 0.86 1.36 -0.18 2.92 0.00 -1.08 -0.26 119.26 122.89 2jn6 h ALA 65 Ca -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jn6 h ALA 65 Cb 1.34 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2jn6 h ALA 65 CO 0.13 0.58 0.12 1.49 0.00 0.00 0.00 179.25 181.57 2jn6 h GLU 66 N 1.16 0.24 -0.47 0.00 4.81 -1.52 0.30 114.58 119.11 2jn6 h GLU 66 Ca 0.31 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.44 2jn6 h GLU 66 Cb -0.11 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 2jn6 h GLU 66 CO -0.06 0.17 -0.05 1.96 -0.73 0.00 0.00 179.01 180.29 2jn6 h GLN 67 N 0.25 0.81 -0.76 1.92 4.20 -1.51 -1.62 115.11 118.40 2jn6 h GLN 67 Ca 0.07 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 2jn6 h GLN 67 Cb -0.02 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 2jn6 h GLN 67 CO -0.01 0.85 0.28 0.82 -0.67 0.00 0.00 178.83 180.10 2jn6 h ILE 68 N 0.74 1.26 -0.76 2.54 1.08 -0.64 0.82 117.51 122.54 2jn6 h ILE 68 Ca 0.13 -0.84 -0.05 0.00 -0.39 0.00 0.00 64.86 63.72 2jn6 h ILE 68 Cb 0.53 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.63 2jn6 h ILE 68 CO 0.03 0.34 0.30 0.03 -0.69 0.00 0.00 178.15 178.15 2jn6 h ARG 69 N 1.10 1.14 -0.01 2.37 2.47 0.20 -1.24 114.38 120.41 2jn6 h ARG 69 Ca 0.25 -0.21 -0.21 0.00 -1.26 0.00 0.00 59.98 58.56 2jn6 h ARG 69 Cb 0.24 -0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 28.37 2jn6 h ARG 69 CO -0.02 0.93 -0.87 0.37 0.56 0.00 0.00 179.97 180.94 2jn6 h GLN 70 N 1.11 0.32 0.61 0.04 -0.00 -1.09 0.19 115.11 116.30 2jn6 h GLN 70 Ca 0.25 -0.33 -0.03 0.00 -0.00 0.00 0.00 58.65 58.55 2jn6 h GLN 70 Cb 0.22 0.09 0.01 0.00 0.00 0.00 0.00 27.48 27.79 2jn6 h GLN 70 CO -0.02 1.01 -0.29 1.25 0.00 0.00 0.00 178.83 180.78 2jn6 h LEU 71 N 0.19 -0.69 0.04 -2.39 7.12 -0.46 -3.28 115.31 115.84 2jn6 h LEU 71 Ca -0.06 -0.02 -0.26 0.00 0.13 0.00 0.00 57.88 57.68 2jn6 h LEU 71 Cb 1.49 0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 41.77 2jn6 h LEU 71 CO 0.14 -0.41 -1.32 0.50 -0.13 0.00 0.00 178.44 177.22 2jn6 h LYS 72 N -0.95 0.08 -2.23 1.25 1.63 -1.34 -3.50 116.57 111.51 2jn6 h LYS 72 Ca -0.08 -0.14 0.26 0.00 -0.85 0.00 0.00 60.65 59.83 2jn6 h LYS 72 Cb 0.67 0.05 -0.09 0.00 -0.60 0.00 0.00 32.23 32.27 2jn6 h LYS 72 CO 0.14 0.93 -0.51 1.63 -3.45 0.00 0.00 179.45 178.19 2jn6 n LYS 73 N -3.32 -2.06 -3.11 1.90 5.02 0.68 -4.71 118.16 112.57 2jn6 n LYS 73 Ca -0.09 1.47 -0.42 0.00 -2.02 0.00 0.00 58.31 57.25 2jn6 n LYS 73 Cb 1.00 -2.47 -0.07 0.00 -0.02 0.00 0.00 35.03 33.47 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 -2.44 3.62 0.40 1.97 0.41 -1.26 -4.99 118.70 116.41 2jn6 s GLU 74 Ca 0.00 -0.01 0.04 0.00 -0.41 0.00 0.00 54.97 54.59 2jn6 s GLU 74 Cb 0.00 -3.83 -0.03 0.00 -1.78 0.00 0.00 34.13 28.49 2jn6 s GLU 74 CO 0.00 -0.78 0.14 1.21 -0.49 0.00 0.00 175.26 175.34 2jn6 s ASN 75 N 1.83 2.66 0.50 -0.19 3.84 -1.26 -5.04 114.94 117.28 2jn6 s ASN 75 Ca 0.24 -1.68 0.15 0.00 0.21 0.00 0.00 52.86 51.78 2jn6 s ASN 75 Cb -0.14 0.50 1.19 0.00 -0.55 0.00 0.00 41.25 42.25 2jn6 s ASN 75 CO 0.15 -0.94 2.12 0.00 -2.79 0.00 0.00 177.10 175.64 2jn6 h ALA 76 N 1.83 1.93 -0.96 1.71 0.00 -1.99 -2.96 119.26 118.83 2jn6 h ALA 76 Ca -0.34 -0.03 0.26 0.00 0.00 0.00 0.00 54.91 54.80 2jn6 h ALA 76 Cb 1.27 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 2jn6 h ALA 76 CO 0.55 0.06 0.48 -0.07 0.00 0.00 0.00 179.25 180.27 2jn6 h LEU 77 N 0.06 0.44 0.00 0.00 3.38 -1.98 0.27 115.31 117.48 2jn6 h LEU 77 Ca 0.01 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2jn6 h LEU 77 Cb 0.04 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2jn6 h LEU 77 CO 0.00 -0.03 -0.13 -0.61 0.09 0.00 0.00 178.44 177.77 2jn6 h GLN 78 N 0.41 0.00 0.00 1.13 4.15 -1.93 -3.35 115.11 115.52 2jn6 h GLN 78 Ca 0.63 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.05 2jn6 h GLN 78 Cb 1.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.98 2jn6 h GLN 78 CO -0.55 0.94 -0.08 0.00 -1.93 0.00 0.00 178.83 177.22 2jn6 h ARG 79 N -1.00 0.00 0.00 1.69 3.08 -1.49 -2.99 114.38 113.68 2jn6 h ARG 79 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2jn6 h ARG 79 Cb 0.98 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.03 2jn6 h ARG 79 CO -0.02 0.00 -0.05 0.00 -1.07 0.00 0.00 179.97 178.83 2jn6 h ALA 80 N 2.10 0.97 0.00 0.04 0.00 -0.63 0.73 119.26 122.47 2jn6 h ALA 80 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jn6 h ALA 80 Cb 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2jn6 h ALA 80 CO 0.00 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.31 2jn6 h ARG 81 N 0.00 0.00 0.00 0.00 3.08 -1.65 -3.40 114.38 112.41 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 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 2jn6 h ARG 81 CO 0.01 0.00 0.00 2.41 -1.07 0.00 0.00 179.97 181.32 2jn6 n THR 82 N -2.88 0.00 -2.24 2.04 -1.04 -1.08 -4.94 114.28 104.13 2jn6 n THR 82 Ca 0.04 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.63 2jn6 n THR 82 Cb 0.48 -0.79 -0.03 0.00 -1.82 0.00 0.00 70.33 68.17 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 0.00 4.30 0.28 -2.82 0.52 0.23 -5.01 118.95 116.45 2jn6 s ARG 83 Ca 0.00 1.95 -0.07 0.00 -0.52 0.00 0.00 55.73 57.09 2jn6 s ARG 83 Cb 0.00 -3.51 -0.06 0.00 0.52 0.00 0.00 34.95 31.90 2jn6 s ARG 83 CO 0.00 -0.52 0.57 -3.38 0.02 0.00 0.00 175.30 171.99 2jn6 s HIS 84 N 2.11 3.46 1.29 -0.53 -3.43 -1.26 -4.11 115.29 112.81 2jn6 s HIS 84 Ca 0.63 0.76 -0.18 0.00 -0.80 0.00 0.00 55.06 55.46 2jn6 s HIS 84 Cb -0.32 -2.19 0.30 0.00 -1.43 0.00 0.00 32.58 28.95 2jn6 s HIS 84 CO 0.27 0.18 0.77 -2.30 -2.00 0.00 0.00 174.74 171.65 2jn6 n PRO 85 N -0.71 -3.43 -0.84 -0.38 -0.02 -1.26 -5.00 135.00 123.36 2jn6 n PRO 85 Ca -0.01 -1.00 0.04 0.00 -2.02 0.00 0.00 63.50 60.51 2jn6 n PRO 85 Cb 0.53 -1.94 0.06 0.00 -0.02 0.00 0.00 33.50 32.14 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 -5.26 2.47 0.32 3.55 0.00 -1.26 -4.78 120.51 115.55 2jn6 n ALA 86 Ca 0.07 -2.15 0.20 0.00 0.00 0.00 0.00 53.44 51.56 2jn6 n ALA 86 Cb 0.56 -0.55 1.06 0.00 0.00 0.00 0.00 19.45 20.51 2jn6 n ALA 86 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2jn6 h GLU 87 N 0.56 0.00 0.00 0.00 3.07 -2.05 -1.61 114.58 114.55 2jn6 h GLU 87 Ca -0.09 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.69 2jn6 h GLU 87 Cb 1.47 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.36 2jn6 h GLU 87 CO 0.04 0.01 -0.38 1.03 -1.40 0.00 0.00 179.01 178.31 2jn6 h SER 88 N 0.00 0.00 0.65 1.42 0.87 -2.02 -3.27 113.55 111.20 2jn6 h SER 88 Ca -0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 2jn6 h SER 88 Cb 0.08 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2jn6 h SER 88 CO 0.00 0.38 -0.18 0.00 -0.53 0.00 0.00 176.83 176.50 2jn6 h LEU 90 N 0.00 0.00 0.02 0.00 8.10 -1.74 -3.11 115.31 118.57 2jn6 h LEU 90 Ca -0.00 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 2jn6 h LEU 90 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.78 2jn6 h LEU 90 CO 0.02 0.00 -0.11 -0.33 -4.11 0.00 0.00 178.44 173.91 2jn6 h GLU 91 N 0.00 0.05 0.00 0.17 4.39 -1.74 -3.50 114.58 113.95 2jn6 h GLU 91 Ca 0.00 -0.07 0.09 0.00 0.34 0.00 0.00 59.36 59.72 2jn6 h GLU 91 Cb 0.46 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2jn6 h GLU 91 CO 0.00 0.99 -0.12 0.72 -1.16 0.00 0.00 179.01 179.44 2jn6 n HIS 92 N -4.56 -2.30 0.00 4.33 8.25 -1.18 -4.69 115.22 115.07 2jn6 n HIS 92 Ca -0.10 0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 2jn6 n HIS 92 Cb 0.51 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 31.05 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 -2.34 0.00 -2.85 4.41 1.44 -1.26 -5.10 115.22 109.52 2jn6 n HIS 93 Ca 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 2jn6 n HIS 93 Cb 0.15 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.25 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 -1.10 -2.66 -2.61 -1.40 8.25 -1.26 -4.89 115.22 109.55 2jn6 n HIS 94 Ca 0.00 1.33 -0.43 0.00 -0.26 0.00 0.00 57.72 58.36 2jn6 n HIS 94 Cb 0.00 -2.89 -0.02 0.00 1.12 0.00 0.00 29.99 28.20 2jn6 n HIS 94 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jn6 s HIS 95 N -1.02 3.13 0.15 4.41 2.46 -1.26 -4.99 115.29 118.17 2jn6 s HIS 95 Ca -0.07 1.22 -0.31 0.00 0.47 0.00 0.00 55.06 56.37 2jn6 s HIS 95 Cb 0.00 -3.58 -0.09 0.00 -0.13 0.00 0.00 32.58 28.78 2jn6 s HIS 95 CO 0.50 -0.86 1.43 -3.38 -2.47 0.00 0.00 174.74 169.96 2jn6 s HIS 96 N 3.59 3.18 0.00 3.88 -3.43 -1.26 -5.33 115.29 115.92 2jn6 s HIS 96 Ca 0.47 0.91 0.00 0.00 -0.80 0.00 0.00 55.06 55.64 2jn6 s HIS 96 Cb -0.14 -3.74 0.00 0.00 -1.43 0.00 0.00 32.58 27.26 2jn6 s HIS 96 CO 0.13 -2.60 0.00 1.58 -2.00 0.00 0.00 174.74 171.85