#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 0.67 -2.58 2.12 -0.04 -1.26 -4.88 135.00 129.03 2jn6 n PRO 2 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 2jn6 n PRO 2 Cb 0.00 -1.28 -0.02 0.00 -0.04 0.00 0.00 33.50 32.16 2jn6 n PRO 2 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2jn6 n THR 3 N 0.04 -9.63 0.97 0.52 -2.24 -1.26 -4.94 114.28 97.75 2jn6 n THR 3 Ca 0.00 2.11 0.11 0.00 -2.27 0.00 0.00 64.05 64.01 2jn6 n THR 3 Cb 0.14 -5.21 0.03 0.00 -2.10 0.00 0.00 70.33 63.19 2jn6 n THR 3 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2jn6 n LYS 4 N 1.94 1.62 -1.71 -0.78 2.85 -1.26 -4.94 118.16 115.88 2jn6 n LYS 4 Ca -0.21 -1.32 -0.42 0.00 -1.05 0.00 0.00 58.31 55.32 2jn6 n LYS 4 Cb 0.32 -1.46 -0.03 0.00 -0.65 0.00 0.00 35.03 33.21 2jn6 n LYS 4 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2jn6 s THR 5 N -2.25 2.59 -0.12 0.58 -4.23 -1.26 -4.98 115.64 105.97 2jn6 s THR 5 Ca 0.21 0.05 -0.06 0.00 -1.18 0.00 0.00 61.69 60.72 2jn6 s THR 5 Cb 0.18 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 2jn6 s THR 5 CO 0.46 -0.00 0.11 -0.72 -0.54 0.00 0.00 174.62 173.93 2jn6 s TYR 6 N 2.93 3.48 0.69 3.99 -0.85 -1.26 -5.09 117.35 121.24 2jn6 s TYR 6 Ca 0.82 0.43 -0.14 0.00 -0.52 0.00 0.00 57.07 57.66 2jn6 s TYR 6 Cb -0.46 -1.92 0.02 0.00 0.38 0.00 0.00 41.96 39.98 2jn6 s TYR 6 CO 0.37 0.65 1.11 -1.12 -1.52 0.00 0.00 175.55 175.04 2jn6 s SER 7 N -0.91 4.88 0.34 -0.18 0.01 -1.26 -4.92 113.70 111.66 2jn6 s SER 7 Ca 0.14 1.99 0.02 0.00 1.31 0.00 0.00 55.95 59.41 2jn6 s SER 7 Cb -0.12 -2.55 0.59 0.00 0.21 0.00 0.00 66.02 64.16 2jn6 s SER 7 CO 0.03 -1.78 1.96 1.05 0.41 0.00 0.00 173.24 174.91 2jn6 h GLU 8 N -0.26 0.79 -0.04 12.44 4.11 -2.00 -1.64 114.58 127.98 2jn6 h GLU 8 Ca -0.46 -0.08 -0.07 0.00 0.07 0.00 0.00 59.36 58.82 2jn6 h GLU 8 Cb 1.25 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2jn6 h GLU 8 CO 0.53 0.58 -0.31 1.49 0.07 0.00 0.00 179.01 181.37 2jn6 h GLU 9 N 0.80 0.07 -0.16 1.06 4.81 -1.98 -0.56 114.58 118.63 2jn6 h GLU 9 Ca 0.21 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 2jn6 h GLU 9 Cb 0.02 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2jn6 h GLU 9 CO -0.03 0.38 0.02 0.35 -0.73 0.00 0.00 179.01 178.99 2jn6 h PHE 10 N 0.07 0.29 -0.10 0.92 3.57 -1.66 0.13 116.94 120.16 2jn6 h PHE 10 Ca 0.01 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.38 2jn6 h PHE 10 Cb 0.58 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2jn6 h PHE 10 CO 0.00 0.45 -0.32 0.87 -2.23 0.00 0.00 178.31 177.08 2jn6 h LYS 11 N 0.04 0.19 -0.59 1.11 1.57 -1.27 -1.98 116.57 115.64 2jn6 h LYS 11 Ca 0.05 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2jn6 h LYS 11 Cb 0.32 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 2jn6 h LYS 11 CO 0.00 0.50 0.17 -0.09 -0.57 0.00 0.00 179.45 179.47 2jn6 h ARG 12 N 0.17 0.89 -0.19 3.15 1.12 -0.77 -2.87 114.38 115.88 2jn6 h ARG 12 Ca 0.02 -0.17 -0.14 0.00 -1.11 0.00 0.00 59.98 58.58 2jn6 h ARG 12 Cb 0.66 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.47 2jn6 h ARG 12 CO 0.05 0.77 -0.48 0.22 -3.11 0.00 0.00 179.97 177.43 2jn6 h ASP 13 N 0.86 0.53 -0.80 -3.80 3.58 -0.03 -2.63 116.42 114.13 2jn6 h ASP 13 Ca 0.19 -0.26 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 2jn6 h ASP 13 Cb 0.27 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.13 2jn6 h ASP 13 CO -0.01 0.92 0.44 0.00 -2.88 0.00 0.00 179.24 177.72 2jn6 h ALA 14 N 1.10 1.25 -0.58 -0.78 0.00 -1.20 -0.64 119.26 118.40 2jn6 h ALA 14 Ca 0.02 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2jn6 h ALA 14 Cb 0.98 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2jn6 h ALA 14 CO 0.09 0.61 -0.01 0.28 0.00 0.00 0.00 179.25 180.22 2jn6 h VAL 15 N 1.14 1.26 -0.33 0.00 2.07 -1.32 -2.45 116.25 116.62 2jn6 h VAL 15 Ca 0.29 -1.14 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 2jn6 h VAL 15 Cb 0.03 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2jn6 h VAL 15 CO -0.05 0.41 -0.04 0.00 0.02 0.00 0.00 177.57 177.91 2jn6 h ALA 16 N 1.05 1.32 -0.59 1.67 0.00 -1.01 -1.80 119.26 119.90 2jn6 h ALA 16 Ca 0.17 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2jn6 h ALA 16 Cb 0.55 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2jn6 h ALA 16 CO 0.03 0.46 0.12 1.25 0.00 0.00 0.00 179.25 181.11 2jn6 h LEU 17 N 0.49 0.88 -1.65 0.00 7.12 -0.85 -2.50 115.31 118.80 2jn6 h LEU 17 Ca 0.10 -0.18 -0.01 0.00 0.13 0.00 0.00 57.88 57.92 2jn6 h LEU 17 Cb 0.39 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 40.29 2jn6 h LEU 17 CO 0.02 0.87 -0.06 0.22 -0.13 0.00 0.00 178.44 179.36 2jn6 h TYR 18 N 0.89 0.00 0.00 1.25 3.20 -0.87 0.26 116.97 121.69 2jn6 h TYR 18 Ca 0.19 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2jn6 h TYR 18 Cb 0.35 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.62 2jn6 h TYR 18 CO 0.02 0.06 0.00 0.93 -1.64 0.00 0.00 178.16 177.53 2jn6 h GLU 19 N 0.00 0.00 -0.87 1.82 4.39 -1.10 -2.54 114.58 116.28 2jn6 h GLU 19 Ca -0.00 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.23 2jn6 h GLU 19 Cb 0.47 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 28.85 2jn6 h GLU 19 CO 0.01 0.00 0.50 0.09 -1.16 0.00 0.00 179.01 178.45 2jn6 n ASN 20 N -2.92 3.95 0.28 1.42 3.02 0.08 -4.74 115.26 116.35 2jn6 n ASN 20 Ca 0.00 -3.67 0.13 0.00 -0.03 0.00 0.00 54.58 51.01 2jn6 n ASN 20 Cb 0.26 -0.81 0.82 0.00 -0.61 0.00 0.00 39.78 39.45 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 1.14 0.00 0.07 6.41 4.64 -1.52 -0.05 113.55 124.23 2jn6 h SER 21 Ca 0.55 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.85 2jn6 h SER 21 Cb 2.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.47 2jn6 h SER 21 CO 1.01 0.01 -0.07 -0.78 -0.87 0.00 0.00 176.83 176.14 2jn6 h ASP 22 N 0.00 0.00 -0.02 4.97 3.58 -1.87 -1.33 116.42 121.75 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 0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2jn6 h ASP 22 CO 0.00 0.07 -0.05 0.61 -2.88 0.00 0.00 179.24 176.99 2jn6 n GLY 23 N -1.31 0.05 2.87 -0.78 0.00 -0.13 -4.89 105.19 100.99 2jn6 n GLY 23 Ca -0.03 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.34 -0.95 0.69 4.61 0.00 -0.50 -5.13 121.76 119.13 2jn6 s ALA 24 Ca 0.17 0.32 -0.14 0.00 0.00 0.00 0.00 51.96 52.30 2jn6 s ALA 24 Cb 0.12 -1.85 0.01 0.00 0.00 0.00 0.00 23.12 21.41 2jn6 s ALA 24 CO 0.22 -1.56 1.12 0.45 0.00 0.00 0.00 175.76 175.99 2jn6 s SER 25 N 2.49 4.86 0.28 0.00 0.15 -1.23 -3.95 113.70 116.30 2jn6 s SER 25 Ca 0.10 2.04 -0.01 0.00 0.70 0.00 0.00 55.95 58.78 2jn6 s SER 25 Cb -0.14 -2.55 0.44 0.00 -1.71 0.00 0.00 66.02 62.06 2jn6 s SER 25 CO -0.25 -1.80 1.89 0.25 1.20 0.00 0.00 173.24 174.53 2jn6 h LEU 26 N -0.17 1.01 -0.55 3.45 5.85 -1.97 0.07 115.31 122.99 2jn6 h LEU 26 Ca -0.46 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.29 2jn6 h LEU 26 Cb 1.25 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 2jn6 h LEU 26 CO 0.53 0.64 0.33 -0.61 -0.34 0.00 0.00 178.44 178.99 2jn6 h GLN 27 N 1.14 0.64 -0.52 1.25 5.75 -1.97 -2.95 115.11 118.44 2jn6 h GLN 27 Ca 0.43 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.82 2jn6 h GLN 27 Cb 0.19 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 2jn6 h GLN 27 CO -0.17 0.42 0.06 0.37 -2.65 0.00 0.00 178.83 176.86 2jn6 h GLN 28 N 0.66 0.89 -0.21 1.69 -0.00 -1.38 0.22 115.11 116.98 2jn6 h GLN 28 Ca 0.22 -0.25 0.02 0.00 -0.00 0.00 0.00 58.65 58.64 2jn6 h GLN 28 Cb 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.38 2jn6 h GLN 28 CO -0.10 0.88 0.06 0.82 0.00 0.00 0.00 178.83 180.50 2jn6 h ILE 29 N 0.77 0.93 -0.07 2.39 1.08 -1.15 0.28 117.51 121.75 2jn6 h ILE 29 Ca 0.16 -0.05 -0.12 0.00 -0.39 0.00 0.00 64.86 64.45 2jn6 h ILE 29 Cb 0.45 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 2jn6 h ILE 29 CO 0.02 0.03 -0.52 0.00 -0.69 0.00 0.00 178.15 176.99 2jn6 h ALA 30 N 1.14 1.01 -0.31 1.87 0.00 -1.35 -3.06 119.26 118.57 2jn6 h ALA 30 Ca 0.09 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 2jn6 h ALA 30 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2jn6 h ALA 30 CO -0.11 0.66 -0.12 -0.97 0.00 0.00 0.00 179.25 178.71 2jn6 h ASN 31 N 0.14 0.65 -0.37 0.00 -0.73 0.26 0.81 115.58 116.34 2jn6 h ASN 31 Ca 0.00 -0.39 -0.02 0.00 1.87 0.00 0.00 56.30 57.76 2jn6 h ASN 31 Cb 0.96 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 39.35 2jn6 h ASN 31 CO 0.08 0.90 0.16 -0.78 -0.37 0.00 0.00 177.43 177.42 2jn6 h ASP 32 N 0.40 0.50 1.46 1.15 1.82 -0.46 -2.78 116.42 118.51 2jn6 h ASP 32 Ca 0.07 -0.15 -0.06 0.00 -0.39 0.00 0.00 57.03 56.51 2jn6 h ASP 32 Cb 0.64 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.51 2jn6 h ASP 32 CO 0.04 0.51 -0.27 -0.07 -1.61 0.00 0.00 179.24 177.83 2jn6 h LEU 33 N 0.46 0.00 -0.17 2.28 4.07 -1.53 -3.47 115.31 116.95 2jn6 h LEU 33 Ca 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.08 2jn6 h LEU 33 Cb 0.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.89 2jn6 h LEU 33 CO -0.01 0.27 -0.01 0.61 -1.08 0.00 0.00 178.44 178.23 2jn6 n GLY 34 N 0.86 0.47 3.75 0.83 0.00 0.11 -5.06 105.19 106.15 2jn6 n GLY 34 Ca 0.02 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.20 2.35 0.43 -0.61 -4.36 -0.19 -5.03 121.20 111.59 2jn6 s ILE 35 Ca 0.00 -1.67 -0.25 0.00 -0.26 0.00 0.00 60.65 58.47 2jn6 s ILE 35 Cb -0.00 -3.00 -0.08 0.00 1.25 0.00 0.00 42.46 40.63 2jn6 s ILE 35 CO 0.00 -0.01 1.24 0.21 0.24 0.00 0.00 174.94 176.63 2jn6 s ASN 36 N -3.92 6.26 0.22 4.36 3.84 -1.26 -4.54 114.94 119.89 2jn6 s ASN 36 Ca 0.42 2.50 -0.04 0.00 0.21 0.00 0.00 52.86 55.95 2jn6 s ASN 36 Cb 0.03 -2.62 0.19 0.00 -0.55 0.00 0.00 41.25 38.30 2jn6 s ASN 36 CO 0.23 -0.87 1.63 -0.09 -2.79 0.00 0.00 177.10 175.20 2jn6 h ARG 37 N 2.44 0.74 -0.18 0.43 2.43 -1.94 -2.51 114.38 115.79 2jn6 h ARG 37 Ca -0.49 -0.31 -0.06 0.00 -0.81 0.00 0.00 59.98 58.31 2jn6 h ARG 37 Cb 1.25 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2jn6 h ARG 37 CO 0.62 0.91 -0.11 0.28 -1.51 0.00 0.00 179.97 180.16 2jn6 h VAL 38 N 0.65 1.32 -0.71 0.20 2.07 -1.99 -2.40 116.25 115.38 2jn6 h VAL 38 Ca 0.09 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 2jn6 h VAL 38 Cb 0.75 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 2jn6 h VAL 38 CO 0.06 0.36 0.38 0.74 0.02 0.00 0.00 177.57 179.12 2jn6 h THR 39 N 0.08 1.22 -0.20 2.57 2.02 -1.94 -1.11 112.91 115.54 2jn6 h THR 39 Ca 0.04 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 2jn6 h THR 39 Cb 0.60 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2jn6 h THR 39 CO 0.03 0.25 0.09 0.25 0.37 0.00 0.00 175.52 176.50 2jn6 h LEU 40 N 1.00 0.27 -0.83 2.58 5.85 -1.39 -2.69 115.31 120.09 2jn6 h LEU 40 Ca 0.25 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.85 2jn6 h LEU 40 Cb 0.05 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 2jn6 h LEU 40 CO -0.04 0.34 0.54 0.50 -0.34 0.00 0.00 178.44 179.44 2jn6 h LYS 41 N 0.18 1.03 -0.91 1.25 3.64 -0.89 -2.07 116.57 118.79 2jn6 h LYS 41 Ca 0.07 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2jn6 h LYS 41 Cb 0.15 -0.23 -0.06 0.00 -0.41 0.00 0.00 32.23 31.68 2jn6 h LYS 41 CO -0.01 0.68 0.59 -0.91 -2.27 0.00 0.00 179.45 177.54 2jn6 h ASN 42 N 1.06 0.93 -0.33 4.20 2.35 -1.03 -0.80 115.58 121.96 2jn6 h ASN 42 Ca 0.33 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.06 2jn6 h ASN 42 Cb -0.03 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 2jn6 h ASN 42 CO -0.10 0.60 0.14 -0.50 -1.65 0.00 0.00 177.43 175.92 2jn6 h TRP 43 N 1.05 0.49 -0.35 1.19 6.55 -1.05 -0.69 115.95 123.14 2jn6 h TRP 43 Ca 0.39 -0.03 -0.00 0.00 0.95 0.00 0.00 58.89 60.20 2jn6 h TRP 43 Cb 0.18 -0.15 -0.02 0.00 -0.86 0.00 0.00 29.16 28.31 2jn6 h TRP 43 CO -0.00 0.46 0.22 0.82 -1.05 0.00 0.00 178.44 178.88 2jn6 h ILE 44 N 0.39 1.11 -0.08 1.49 2.04 -1.07 -0.39 117.51 121.01 2jn6 h ILE 44 Ca 0.11 -0.26 -0.12 0.00 1.00 0.00 0.00 64.86 65.59 2jn6 h ILE 44 Cb 0.17 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2jn6 h ILE 44 CO -0.01 0.11 -0.51 0.40 0.00 0.00 0.00 178.15 178.14 2jn6 h ILE 45 N 0.46 1.35 0.21 -0.67 2.04 -1.09 -0.74 117.51 119.08 2jn6 h ILE 45 Ca 0.13 -1.76 -0.28 0.00 1.00 0.00 0.00 64.86 63.95 2jn6 h ILE 45 Cb -0.00 1.86 0.03 0.00 -0.74 0.00 0.00 36.82 37.97 2jn6 h ILE 45 CO -0.02 0.52 -1.21 0.50 0.00 0.00 0.00 178.15 177.94 2jn6 h LYS 46 N 0.16 0.44 0.01 2.37 3.64 -0.85 -3.35 116.57 118.99 2jn6 h LYS 46 Ca 0.00 -0.76 -0.38 0.00 -1.27 0.00 0.00 60.65 58.24 2jn6 h LYS 46 Cb 0.96 0.28 -0.07 0.00 -0.41 0.00 0.00 32.23 32.99 2jn6 h LYS 46 CO 0.08 1.36 -2.41 0.66 -2.27 0.00 0.00 179.45 176.87 2jn6 n TYR 47 N -3.89 0.11 -2.69 1.91 4.01 -0.18 -4.77 117.16 111.66 2jn6 n TYR 47 Ca -0.16 0.03 -0.07 0.00 -0.16 0.00 0.00 57.90 57.54 2jn6 n TYR 47 Cb 0.99 -1.02 0.03 0.00 -0.31 0.00 0.00 39.34 39.04 2jn6 n TYR 47 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jn6 n GLY 48 N 2.12 1.56 0.08 2.72 0.00 -0.34 -4.86 105.19 106.48 2jn6 n GLY 48 Ca -0.42 -1.24 -0.08 0.00 0.00 0.00 0.00 46.02 44.28 2jn6 n GLY 48 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jn6 h SER 49 N 2.91 0.00 0.40 1.61 4.64 -1.56 -3.43 113.55 118.12 2jn6 h SER 49 Ca -0.11 -0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.00 2jn6 h SER 49 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 2jn6 h SER 49 CO 0.43 0.91 -1.69 -3.20 -0.87 0.00 0.00 176.83 172.42 2jn6 n ASN 50 N -4.58 0.40 -3.82 4.97 5.15 -1.26 -4.77 115.26 111.34 2jn6 n ASN 50 Ca -0.13 0.16 -0.27 0.00 -0.60 0.00 0.00 54.58 53.75 2jn6 n ASN 50 Cb 0.35 1.06 -0.17 0.00 -0.53 0.00 0.00 39.78 40.49 2jn6 n ASN 50 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2jn6 s HIS 51 N -3.19 1.28 -1.36 1.20 3.76 -1.26 -5.05 115.29 110.67 2jn6 s HIS 51 Ca -0.05 -0.81 -0.13 0.00 -0.15 0.00 0.00 55.06 53.91 2jn6 s HIS 51 Cb 0.11 -1.12 0.09 0.00 1.11 0.00 0.00 32.58 32.77 2jn6 s HIS 51 CO 0.85 -0.55 1.98 0.09 -0.85 0.00 0.00 174.74 176.26 2jn6 n ASN 52 N 4.98 4.51 0.09 1.40 4.13 -1.26 -4.58 115.26 124.53 2jn6 n ASN 52 Ca -0.10 -2.94 -0.02 0.00 1.68 0.00 0.00 54.58 53.20 2jn6 n ASN 52 Cb 0.48 -1.62 -0.05 0.00 -1.54 0.00 0.00 39.78 37.05 2jn6 n ASN 52 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2jn6 h VAL 53 N 4.27 1.26 -2.94 2.41 2.07 -1.93 -3.43 116.25 117.96 2jn6 h VAL 53 Ca 0.48 -2.81 -0.57 0.00 0.82 0.00 0.00 66.70 64.62 2jn6 h VAL 53 Cb 0.70 2.61 -0.04 0.00 -1.52 0.00 0.00 31.29 33.04 2jn6 h VAL 53 CO 1.68 0.72 0.90 -1.10 0.02 0.00 0.00 177.57 179.80 2jn6 s GLN 54 N -2.83 4.20 0.00 1.57 1.11 -1.26 -5.02 119.66 117.44 2jn6 s GLN 54 Ca 0.02 1.60 0.00 0.00 0.01 0.00 0.00 55.36 56.99 2jn6 s GLN 54 Cb 0.09 -3.77 0.00 0.00 -1.01 0.00 0.00 33.01 28.32 2jn6 s GLN 54 CO 0.79 -0.74 0.00 0.41 0.01 0.00 0.00 175.29 175.75 2jn6 n GLY 55 N 3.66 0.90 2.56 3.09 0.00 -1.26 -4.96 105.19 109.18 2jn6 n GLY 55 Ca 0.14 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.96 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 0.14 -0.05 -0.40 2.61 -4.23 -1.26 -4.74 115.64 107.72 2jn6 s THR 56 Ca 0.00 -1.24 0.03 0.00 -1.18 0.00 0.00 61.69 59.30 2jn6 s THR 56 Cb 0.00 -0.99 0.16 0.00 1.34 0.00 0.00 72.50 73.01 2jn6 s THR 56 CO 0.00 -0.81 0.31 0.42 -0.54 0.00 0.00 174.62 174.00 2jn6 s THR 57 N 1.50 0.24 -0.25 3.99 -4.23 -1.26 -5.12 115.64 110.52 2jn6 s THR 57 Ca 0.15 -2.34 -0.29 0.00 -1.18 0.00 0.00 61.69 58.03 2jn6 s THR 57 Cb -0.19 -1.18 -0.02 0.00 1.34 0.00 0.00 72.50 72.44 2jn6 s THR 57 CO -0.12 -1.14 1.63 -2.16 -0.54 0.00 0.00 174.62 172.28 2jn6 s PRO 58 N 0.37 3.71 0.14 3.99 0.04 -1.26 -4.87 135.00 137.12 2jn6 s PRO 58 Ca 0.29 1.58 0.01 0.00 0.04 0.00 0.00 61.00 62.92 2jn6 s PRO 58 Cb -0.04 -4.06 -0.08 0.00 0.04 0.00 0.00 34.50 30.37 2jn6 s PRO 58 CO -0.14 -1.40 1.32 0.77 0.04 0.00 0.00 177.00 177.60 2jn6 h SER 59 N 11.04 0.28 1.16 6.66 0.02 -1.96 -3.14 113.55 127.61 2jn6 h SER 59 Ca -0.33 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.37 2jn6 h SER 59 Cb 1.15 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 2jn6 h SER 59 CO 1.01 1.08 -0.02 0.00 -1.14 0.00 0.00 176.83 177.76 2jn6 h ALA 60 N 0.89 1.00 -0.01 3.77 0.00 -1.92 -2.81 119.26 120.18 2jn6 h ALA 60 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jn6 h ALA 60 Cb 1.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2jn6 h ALA 60 CO 0.15 0.02 -0.13 0.00 0.00 0.00 0.00 179.25 179.29 2jn6 n ALA 61 N -2.10 2.82 0.21 0.00 0.00 -1.19 -3.78 120.51 116.47 2jn6 n ALA 61 Ca 0.01 -0.45 0.05 0.00 0.00 0.00 0.00 53.44 53.06 2jn6 n ALA 61 Cb 0.35 -1.12 0.48 0.00 0.00 0.00 0.00 19.45 19.16 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 2.00 1.08 -0.57 0.00 2.07 -1.54 -2.13 116.25 117.15 2jn6 h VAL 62 Ca 0.00 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.64 2jn6 h VAL 62 Cb 0.54 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 2jn6 h VAL 62 CO 0.00 0.25 0.38 0.28 0.02 0.00 0.00 177.57 178.49 2jn6 h SER 63 N 0.00 0.65 1.06 0.57 0.02 -1.78 -1.88 113.55 112.20 2jn6 h SER 63 Ca -0.00 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.79 2jn6 h SER 63 Cb 0.47 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 2jn6 h SER 63 CO 0.03 0.47 -0.68 -0.08 -1.14 0.00 0.00 176.83 175.43 2jn6 h GLU 64 N 0.77 0.00 0.00 3.45 4.81 -1.64 -3.11 114.58 118.85 2jn6 h GLU 64 Ca 0.21 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 2jn6 h GLU 64 Cb -0.08 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 2jn6 h GLU 64 CO -0.05 0.68 -0.03 0.00 -0.73 0.00 0.00 179.01 178.89 2jn6 h ALA 65 N 1.32 1.36 -0.03 2.92 0.00 -1.18 -1.72 119.26 121.93 2jn6 h ALA 65 Ca -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2jn6 h ALA 65 Cb 1.40 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2jn6 h ALA 65 CO 0.09 0.03 -0.10 1.49 0.00 0.00 0.00 179.25 180.77 2jn6 h GLU 66 N 0.00 -0.15 0.10 0.00 4.81 -1.52 -0.62 114.58 117.20 2jn6 h GLU 66 Ca -0.00 0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 58.98 2jn6 h GLU 66 Cb 0.08 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 2jn6 h GLU 66 CO 0.00 -0.10 -1.17 -0.56 -0.73 0.00 0.00 179.01 176.45 2jn6 h GLN 67 N -0.15 0.23 -0.77 1.92 3.07 -1.66 -3.33 115.11 114.42 2jn6 h GLN 67 Ca 0.05 -0.38 -0.02 0.00 0.09 0.00 0.00 58.65 58.39 2jn6 h GLN 67 Cb 0.21 0.14 -0.04 0.00 0.08 0.00 0.00 27.48 27.87 2jn6 h GLN 67 CO -0.12 1.17 0.39 0.82 0.09 0.00 0.00 178.83 181.18 2jn6 h ILE 68 N 0.07 1.24 -0.14 1.86 1.08 -1.12 -1.63 117.51 118.87 2jn6 h ILE 68 Ca -0.11 -0.64 -0.00 0.00 -0.39 0.00 0.00 64.86 63.72 2jn6 h ILE 68 Cb 1.90 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 35.87 2jn6 h ILE 68 CO 0.19 0.28 0.07 0.08 -0.69 0.00 0.00 178.15 178.07 2jn6 h ARG 69 N 1.09 0.19 0.00 2.37 -0.00 -1.22 0.96 114.38 117.77 2jn6 h ARG 69 Ca 0.27 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.98 60.23 2jn6 h ARG 69 Cb 0.08 -0.04 -0.00 0.00 -0.00 0.00 0.00 29.97 30.01 2jn6 h ARG 69 CO -0.04 0.15 -0.03 0.37 -0.00 0.00 0.00 179.97 180.42 2jn6 h GLN 70 N 0.19 0.00 -0.38 0.08 -0.00 -1.57 -3.33 115.11 110.10 2jn6 h GLN 70 Ca 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.63 2jn6 h GLN 70 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.48 2jn6 h GLN 70 CO -0.01 0.86 -0.06 -0.07 0.00 0.00 0.00 178.83 179.55 2jn6 h LEU 71 N -1.00 0.61 -0.61 -2.39 4.07 -0.99 -2.45 115.31 112.54 2jn6 h LEU 71 Ca -0.01 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.81 2jn6 h LEU 71 Cb 0.86 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.44 2jn6 h LEU 71 CO -0.00 0.72 0.00 0.50 -1.08 0.00 0.00 178.44 178.57 2jn6 h LYS 72 N 0.59 0.00 -1.74 1.13 3.64 -0.99 -3.49 116.57 115.70 2jn6 h LYS 72 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2jn6 h LYS 72 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2jn6 h LYS 72 CO 0.02 0.00 -0.41 1.17 -2.27 0.00 0.00 179.45 177.97 2jn6 n LYS 73 N -2.86 -2.22 0.00 1.90 4.81 -0.92 -4.67 118.16 114.20 2jn6 n LYS 73 Ca 0.03 1.60 0.00 0.00 -0.87 0.00 0.00 58.31 59.07 2jn6 n LYS 73 Cb 0.40 -1.76 0.00 0.00 0.02 0.00 0.00 35.03 33.68 2jn6 n LYS 73 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2jn6 n GLU 74 N -0.07 0.00 0.00 1.64 4.71 -1.26 -4.94 120.64 120.72 2jn6 n GLU 74 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2jn6 n GLU 74 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 2jn6 n GLU 74 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 2jn6 n ASN 75 N 2.01 -2.24 0.21 1.62 2.85 -1.26 -2.95 115.26 115.48 2jn6 n ASN 75 Ca 0.00 0.00 0.15 0.00 -0.11 0.00 0.00 54.58 54.62 2jn6 n ASN 75 Cb 0.00 0.00 0.70 0.00 1.24 0.00 0.00 39.78 41.72 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 -0.96 1.00 -0.94 5.20 0.00 -1.92 -2.93 119.26 118.71 2jn6 h ALA 76 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 2jn6 h ALA 76 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2jn6 h ALA 76 CO 0.00 0.00 0.61 -0.07 0.00 0.00 0.00 179.25 179.79 2jn6 h LEU 77 N 0.00 0.96 -1.13 0.00 3.38 -1.91 0.61 115.31 117.22 2jn6 h LEU 77 Ca 0.00 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2jn6 h LEU 77 Cb 0.18 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2jn6 h LEU 77 CO 0.00 0.61 -0.08 -0.61 0.09 0.00 0.00 178.44 178.45 2jn6 h GLN 78 N 1.09 0.51 0.00 1.13 5.75 -1.59 -2.40 115.11 119.60 2jn6 h GLN 78 Ca 0.41 -0.13 -0.17 0.00 -0.15 0.00 0.00 58.65 58.61 2jn6 h GLN 78 Cb 0.19 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 2jn6 h GLN 78 CO -0.16 0.60 -1.29 -0.09 -2.65 0.00 0.00 178.83 175.25 2jn6 h ARG 79 N 0.48 0.00 0.00 1.69 2.43 -1.45 -3.31 114.38 114.22 2jn6 h ARG 79 Ca 0.09 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 2jn6 h ARG 79 Cb 0.44 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2jn6 h ARG 79 CO 0.02 0.34 -0.45 0.00 -1.51 0.00 0.00 179.97 178.38 2jn6 h ALA 80 N 1.40 0.85 0.00 2.80 0.00 -0.74 -2.93 119.26 120.64 2jn6 h ALA 80 Ca -0.14 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 2jn6 h ALA 80 Cb 1.58 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2jn6 h ALA 80 CO 0.05 0.56 -0.19 -0.09 0.00 0.00 0.00 179.25 179.58 2jn6 h ARG 81 N 0.00 0.00 0.00 0.00 2.43 -1.52 -3.07 114.38 112.22 2jn6 h ARG 81 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2jn6 h ARG 81 Cb 1.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2jn6 h ARG 81 CO 0.06 0.19 -0.30 1.15 -1.51 0.00 0.00 179.97 179.56 2jn6 h THR 82 N 0.00 0.00 -2.15 0.20 2.02 -1.65 -3.46 112.91 107.86 2jn6 h THR 82 Ca -0.00 -0.74 -0.58 0.00 0.77 0.00 0.00 66.41 65.86 2jn6 h THR 82 Cb 0.57 1.57 -0.14 0.00 -1.74 0.00 0.00 68.15 68.41 2jn6 h THR 82 CO 0.03 0.00 -0.67 -0.13 0.37 0.00 0.00 175.52 175.11 2jn6 s ARG 83 N -3.20 1.74 -0.19 6.66 0.52 -1.16 -5.13 118.95 118.19 2jn6 s ARG 83 Ca 0.07 -1.90 -0.02 0.00 -0.52 0.00 0.00 55.73 53.36 2jn6 s ARG 83 Cb 0.10 -1.52 0.00 0.00 0.52 0.00 0.00 34.95 34.04 2jn6 s ARG 83 CO 0.68 0.10 -0.11 -1.58 0.02 0.00 0.00 175.30 174.41 2jn6 s HIS 84 N -2.75 2.88 1.04 -0.53 5.65 -1.26 -4.95 115.29 115.36 2jn6 s HIS 84 Ca 0.32 -1.13 -0.15 0.00 0.25 0.00 0.00 55.06 54.34 2jn6 s HIS 84 Cb 0.03 -2.01 0.21 0.00 -1.18 0.00 0.00 32.58 29.63 2jn6 s HIS 84 CO 0.15 -0.59 1.15 -1.25 -0.65 0.00 0.00 174.74 173.56 2jn6 s PRO 85 N 1.26 0.12 -0.28 2.88 0.04 -1.26 -5.05 135.00 132.71 2jn6 s PRO 85 Ca 0.03 0.07 0.03 0.00 0.04 0.00 0.00 61.00 61.17 2jn6 s PRO 85 Cb -0.14 -1.74 0.07 0.00 0.04 0.00 0.00 34.50 32.73 2jn6 s PRO 85 CO -0.05 -2.85 -0.08 0.00 0.04 0.00 0.00 177.00 174.07 2jn6 s ALA 86 N -3.25 2.64 0.23 8.56 0.00 -1.26 -4.97 121.76 123.72 2jn6 s ALA 86 Ca 0.68 -1.90 0.22 0.00 0.00 0.00 0.00 51.96 50.96 2jn6 s ALA 86 Cb -0.12 -1.68 0.92 0.00 0.00 0.00 0.00 23.12 22.25 2jn6 s ALA 86 CO 0.55 -1.29 1.84 1.05 0.00 0.00 0.00 175.76 177.91 2jn6 h GLU 87 N 7.76 0.00 -0.43 0.00 4.11 -1.98 -1.75 114.58 122.28 2jn6 h GLU 87 Ca -0.17 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.21 2jn6 h GLU 87 Cb 1.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 2jn6 h GLU 87 CO 0.48 0.27 0.04 0.66 0.07 0.00 0.00 179.01 180.53 2jn6 h SER 88 N 0.00 0.64 1.00 3.06 4.64 -2.00 -0.56 113.55 120.34 2jn6 h SER 88 Ca -0.00 -0.13 -0.12 0.00 -0.47 0.00 0.00 61.79 61.07 2jn6 h SER 88 Cb 0.71 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 2jn6 h SER 88 CO 0.04 0.69 -1.06 0.00 -0.87 0.00 0.00 176.83 175.62 2jn6 h LEU 90 N 0.00 0.62 -1.24 0.00 5.85 -0.85 -3.02 115.31 116.67 2jn6 h LEU 90 Ca -0.09 -0.47 -0.08 0.00 0.84 0.00 0.00 57.88 58.08 2jn6 h LEU 90 Cb 1.43 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 2jn6 h LEU 90 CO 0.04 0.96 -0.38 -0.08 -0.34 0.00 0.00 178.44 178.65 2jn6 h GLU 91 N 0.28 0.00 -3.85 1.25 4.81 -1.24 -3.49 114.58 112.35 2jn6 h GLU 91 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2jn6 h GLU 91 Cb 0.79 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.13 2jn6 h GLU 91 CO 0.06 0.38 -0.60 1.58 -0.73 0.00 0.00 179.01 179.69 2jn6 n HIS 92 N -4.08 -1.83 -3.39 0.92 -0.00 -1.14 -5.08 115.22 100.61 2jn6 n HIS 92 Ca -0.02 1.00 -0.21 0.00 -0.00 0.00 0.00 57.72 58.49 2jn6 n HIS 92 Cb 0.41 -2.53 0.00 0.00 -0.00 0.00 0.00 29.99 27.87 2jn6 n HIS 92 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jn6 s HIS 93 N -0.40 2.28 -0.99 1.57 3.76 -1.26 -5.03 115.29 115.22 2jn6 s HIS 93 Ca -0.09 -0.58 -0.23 0.00 -0.15 0.00 0.00 55.06 54.01 2jn6 s HIS 93 Cb 0.01 -2.18 0.06 0.00 1.11 0.00 0.00 32.58 31.58 2jn6 s HIS 93 CO 0.33 -0.46 1.39 -1.01 -0.85 0.00 0.00 174.74 174.15 2jn6 s HIS 94 N -2.54 2.60 -0.10 1.40 3.76 -1.26 -4.88 115.29 114.27 2jn6 s HIS 94 Ca 0.50 -0.87 -0.30 0.00 -0.15 0.00 0.00 55.06 54.24 2jn6 s HIS 94 Cb -0.05 -4.64 0.11 0.00 1.11 0.00 0.00 32.58 29.11 2jn6 s HIS 94 CO 0.30 -1.88 0.89 -3.38 -0.85 0.00 0.00 174.74 169.81 2jn6 s HIS 95 N 4.71 -0.45 0.23 1.40 -3.43 -1.26 -5.15 115.29 111.34 2jn6 s HIS 95 Ca 0.43 0.68 -0.30 0.00 -0.80 0.00 0.00 55.06 55.08 2jn6 s HIS 95 Cb -0.01 0.46 -0.09 0.00 -1.43 0.00 0.00 32.58 31.51 2jn6 s HIS 95 CO -0.08 -0.46 1.22 -3.38 -2.00 0.00 0.00 174.74 170.04 2jn6 s HIS 96 N -1.54 3.36 0.00 0.38 -3.43 -1.26 -5.19 115.29 107.61 2jn6 s HIS 96 Ca -0.03 1.43 0.00 0.00 -0.80 0.00 0.00 55.06 55.66 2jn6 s HIS 96 Cb -0.00 -3.48 0.00 0.00 -1.43 0.00 0.00 32.58 27.66 2jn6 s HIS 96 CO 0.02 -1.34 0.46 1.58 -2.00 0.00 0.00 174.74 173.45