#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 0.62 -5.31 2.12 0.11 -2.05 -3.40 132.00 124.08 2jn6 h PRO 2 Ca 0.00 -0.66 -0.63 0.00 0.11 0.00 0.00 66.00 64.83 2jn6 h PRO 2 Cb 0.00 0.19 -0.14 0.00 0.11 0.00 0.00 31.00 31.16 2jn6 h PRO 2 CO 0.00 1.26 -0.04 0.95 -0.21 0.00 0.00 178.00 179.96 2jn6 s THR 3 N -3.32 5.06 -0.25 -1.15 -4.23 -1.26 -4.56 115.64 105.93 2jn6 s THR 3 Ca -0.09 0.71 -0.02 0.00 -1.18 0.00 0.00 61.69 61.12 2jn6 s THR 3 Cb 0.08 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 70.06 2jn6 s THR 3 CO 0.90 0.00 0.07 1.17 -0.54 0.00 0.00 174.62 176.23 2jn6 n LYS 4 N 5.59 -2.53 -4.44 3.99 0.00 -1.26 -5.07 118.16 114.45 2jn6 n LYS 4 Ca -0.05 2.16 -0.25 0.00 0.00 0.00 0.00 58.31 60.18 2jn6 n LYS 4 Cb 0.50 -4.36 -0.10 0.00 0.00 0.00 0.00 35.03 31.06 2jn6 n LYS 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2jn6 s THR 5 N -1.38 2.51 0.25 3.15 2.01 -1.26 -4.99 115.64 115.93 2jn6 s THR 5 Ca 0.03 -2.25 0.01 0.00 0.31 0.00 0.00 61.69 59.79 2jn6 s THR 5 Cb -0.01 -2.28 -0.05 0.00 0.01 0.00 0.00 72.50 70.17 2jn6 s THR 5 CO 0.59 -0.31 0.11 -0.72 -0.69 0.00 0.00 174.62 173.61 2jn6 s TYR 6 N -2.23 1.47 0.03 4.92 -0.85 -1.26 -5.16 117.35 114.28 2jn6 s TYR 6 Ca 0.27 -1.24 0.04 0.00 -0.52 0.00 0.00 57.07 55.62 2jn6 s TYR 6 Cb -0.06 -0.83 -0.04 0.00 0.38 0.00 0.00 41.96 41.42 2jn6 s TYR 6 CO 0.14 -0.42 -0.08 -1.12 -1.52 0.00 0.00 175.55 172.55 2jn6 s SER 7 N -3.29 4.56 0.50 -0.18 0.01 -1.26 -5.00 113.70 109.03 2jn6 s SER 7 Ca 0.38 -0.22 0.16 0.00 1.31 0.00 0.00 55.95 57.58 2jn6 s SER 7 Cb 0.07 -1.01 1.20 0.00 0.21 0.00 0.00 66.02 66.49 2jn6 s SER 7 CO 0.14 0.25 2.10 1.05 0.41 0.00 0.00 173.24 177.18 2jn6 h GLU 8 N 4.24 0.00 -0.25 12.44 4.11 -2.01 -1.22 114.58 131.89 2jn6 h GLU 8 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2jn6 h GLU 8 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2jn6 h GLU 8 CO 0.54 0.07 0.17 0.93 0.07 0.00 0.00 179.01 180.78 2jn6 h GLU 9 N 0.00 0.33 -0.09 1.06 5.08 -1.99 -0.81 114.58 118.16 2jn6 h GLU 9 Ca -0.00 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 2jn6 h GLU 9 Cb 0.12 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2jn6 h GLU 9 CO 0.01 0.22 -0.60 0.35 -1.00 0.00 0.00 179.01 177.99 2jn6 h PHE 10 N 0.34 0.38 -0.51 4.33 3.57 -1.63 -1.08 116.94 122.34 2jn6 h PHE 10 Ca 0.09 -0.15 -0.08 0.00 3.53 0.00 0.00 57.97 61.37 2jn6 h PHE 10 Cb -0.04 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 2jn6 h PHE 10 CO 0.00 0.82 0.01 0.87 -2.23 0.00 0.00 178.31 177.79 2jn6 h LYS 11 N 0.22 0.89 -0.07 1.11 1.57 -1.10 -0.16 116.57 119.03 2jn6 h LYS 11 Ca -0.01 -0.28 -0.13 0.00 -1.87 0.00 0.00 60.65 58.37 2jn6 h LYS 11 Cb 1.12 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 2jn6 h LYS 11 CO 0.10 0.91 -0.53 -0.09 -0.57 0.00 0.00 179.45 179.27 2jn6 h ARG 12 N 0.76 0.19 -0.44 3.15 2.43 -1.28 -2.54 114.38 116.66 2jn6 h ARG 12 Ca 0.15 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 2jn6 h ARG 12 Cb 0.50 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2jn6 h ARG 12 CO 0.02 0.68 -0.04 0.22 -1.51 0.00 0.00 179.97 179.34 2jn6 h ASP 13 N 0.15 0.71 -0.16 -3.80 3.58 -0.86 -1.44 116.42 114.60 2jn6 h ASP 13 Ca 0.00 -0.18 -0.05 0.00 0.42 0.00 0.00 57.03 57.23 2jn6 h ASP 13 Cb 0.98 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.83 2jn6 h ASP 13 CO 0.08 0.80 -0.03 0.00 -2.88 0.00 0.00 179.24 177.21 2jn6 h ALA 14 N 1.27 1.43 -0.43 -0.78 0.00 -0.70 0.24 119.26 120.29 2jn6 h ALA 14 Ca 0.13 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2jn6 h ALA 14 Cb 0.48 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2jn6 h ALA 14 CO 0.02 0.40 0.01 0.28 0.00 0.00 0.00 179.25 179.96 2jn6 h VAL 15 N 0.41 1.26 -0.42 0.00 2.07 -0.97 0.90 116.25 119.51 2jn6 h VAL 15 Ca 0.09 -1.01 -0.07 0.00 0.82 0.00 0.00 66.70 66.53 2jn6 h VAL 15 Cb 0.32 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2jn6 h VAL 15 CO 0.01 0.35 -0.03 0.00 0.02 0.00 0.00 177.57 177.92 2jn6 h ALA 16 N 0.91 1.17 -0.47 1.67 0.00 -0.65 -1.47 119.26 120.41 2jn6 h ALA 16 Ca 0.12 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2jn6 h ALA 16 Cb 0.47 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2jn6 h ALA 16 CO 0.02 0.54 -0.07 1.25 0.00 0.00 0.00 179.25 180.99 2jn6 h LEU 17 N 0.65 0.81 -1.35 0.00 5.85 -0.29 -2.48 115.31 118.51 2jn6 h LEU 17 Ca 0.13 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 2jn6 h LEU 17 Cb 0.44 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2jn6 h LEU 17 CO 0.02 0.92 0.34 0.22 -0.34 0.00 0.00 178.44 179.60 2jn6 h TYR 18 N 0.76 0.76 -0.03 1.25 3.20 -0.06 -0.62 116.97 122.23 2jn6 h TYR 18 Ca 0.13 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.02 2jn6 h TYR 18 Cb 0.55 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 2jn6 h TYR 18 CO 0.03 0.51 0.03 0.93 -1.64 0.00 0.00 178.16 178.02 2jn6 h GLU 19 N 0.80 0.00 -0.60 1.82 4.39 -0.82 -1.25 114.58 118.93 2jn6 h GLU 19 Ca 0.21 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.84 2jn6 h GLU 19 Cb -0.02 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 2jn6 h GLU 19 CO -0.04 0.00 0.09 0.09 -1.16 0.00 0.00 179.01 177.99 2jn6 n ASN 20 N -4.22 5.25 0.11 1.42 3.02 -0.26 -4.48 115.26 116.11 2jn6 n ASN 20 Ca -0.02 -3.05 0.10 0.00 -0.03 0.00 0.00 54.58 51.57 2jn6 n ASN 20 Cb 0.12 -0.69 0.46 0.00 -0.61 0.00 0.00 39.78 39.05 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 0.24 0.50 0.28 6.41 3.41 -0.47 -0.73 113.62 123.25 2jn6 n SER 21 Ca 0.32 0.66 0.13 0.00 -0.26 0.00 0.00 58.87 59.71 2jn6 n SER 21 Cb 1.24 -0.75 0.79 0.00 -0.26 0.00 0.00 64.21 65.23 2jn6 n SER 21 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2jn6 h ASP 22 N 0.00 0.00 0.07 4.04 3.58 -1.82 -2.45 116.42 119.83 2jn6 h ASP 22 Ca 0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2jn6 h ASP 22 Cb 0.21 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.26 2jn6 h ASP 22 CO 0.00 0.05 -1.95 0.61 -2.88 0.00 0.00 179.24 175.07 2jn6 n GLY 23 N -1.16 -1.03 2.72 -0.78 0.00 0.09 -4.91 105.19 100.13 2jn6 n GLY 23 Ca -0.03 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.47 0.11 0.68 4.61 0.00 -0.92 -5.14 121.76 117.64 2jn6 s ALA 24 Ca -0.08 0.30 -0.17 0.00 0.00 0.00 0.00 51.96 52.02 2jn6 s ALA 24 Cb 0.13 -0.68 0.01 0.00 0.00 0.00 0.00 23.12 22.58 2jn6 s ALA 24 CO 0.90 -0.52 1.24 -1.12 0.00 0.00 0.00 175.76 176.26 2jn6 s SER 25 N 2.21 4.46 0.25 0.00 0.01 -1.25 -4.12 113.70 115.26 2jn6 s SER 25 Ca 0.04 2.45 -0.03 0.00 1.31 0.00 0.00 55.95 59.73 2jn6 s SER 25 Cb -0.12 -2.60 0.50 0.00 0.21 0.00 0.00 66.02 64.01 2jn6 s SER 25 CO -0.04 -2.09 1.73 0.25 0.41 0.00 0.00 173.24 173.50 2jn6 h LEU 26 N 0.14 0.32 -0.43 2.44 6.46 -1.99 0.27 115.31 122.53 2jn6 h LEU 26 Ca -0.49 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.38 2jn6 h LEU 26 Cb 1.31 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 41.30 2jn6 h LEU 26 CO 0.51 0.11 0.25 -0.61 -0.62 0.00 0.00 178.44 178.08 2jn6 h GLN 27 N 0.47 0.59 -0.83 1.25 5.75 -1.98 -2.76 115.11 117.60 2jn6 h GLN 27 Ca 0.44 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.90 2jn6 h GLN 27 Cb 0.68 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 29.07 2jn6 h GLN 27 CO -0.41 0.45 0.55 0.37 -2.65 0.00 0.00 178.83 177.14 2jn6 h GLN 28 N 0.56 1.05 0.29 1.69 5.75 -1.33 0.62 115.11 123.74 2jn6 h GLN 28 Ca 0.15 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.59 2jn6 h GLN 28 Cb 0.02 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.32 2jn6 h GLN 28 CO -0.03 0.70 -0.27 0.82 -2.65 0.00 0.00 178.83 177.40 2jn6 h ILE 29 N 1.09 0.43 -0.12 2.39 1.08 -0.98 0.20 117.51 121.59 2jn6 h ILE 29 Ca 0.31 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.66 2jn6 h ILE 29 Cb -0.06 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.10 2jn6 h ILE 29 CO -0.08 0.00 -0.46 0.00 -0.69 0.00 0.00 178.15 176.93 2jn6 h ALA 30 N 0.03 1.01 -0.56 1.87 0.00 -1.20 -2.12 119.26 118.28 2jn6 h ALA 30 Ca -0.01 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 2jn6 h ALA 30 Cb 0.53 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2jn6 h ALA 30 CO -0.05 0.63 0.17 -0.97 0.00 0.00 0.00 179.25 179.04 2jn6 h ASN 31 N 0.24 0.82 -0.27 0.00 -0.73 0.53 0.28 115.58 116.45 2jn6 h ASN 31 Ca 0.02 -0.21 -0.13 0.00 1.87 0.00 0.00 56.30 57.84 2jn6 h ASN 31 Cb 0.90 -0.22 -0.00 0.00 0.27 0.00 0.00 38.32 39.27 2jn6 h ASN 31 CO 0.07 0.81 -0.36 -0.78 -0.37 0.00 0.00 177.43 176.81 2jn6 h ASP 32 N 0.79 0.78 0.54 1.15 3.58 -0.51 -3.09 116.42 119.66 2jn6 h ASP 32 Ca 0.18 -0.50 -0.10 0.00 0.42 0.00 0.00 57.03 57.03 2jn6 h ASP 32 Cb 0.29 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2jn6 h ASP 32 CO -0.01 1.13 -0.47 -0.07 -2.88 0.00 0.00 179.24 176.94 2jn6 h LEU 33 N 0.45 0.00 -0.07 2.28 4.07 -1.21 -3.47 115.31 117.36 2jn6 h LEU 33 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 2jn6 h LEU 33 Cb 0.94 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.68 2jn6 h LEU 33 CO 0.08 0.47 0.00 0.61 -1.08 0.00 0.00 178.44 178.52 2jn6 n GLY 34 N -0.07 1.31 3.47 0.83 0.00 0.82 -5.08 105.19 106.47 2jn6 n GLY 34 Ca -0.01 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.07 0.78 0.51 -0.61 -4.36 -0.25 -5.03 121.20 110.16 2jn6 s ILE 35 Ca 0.00 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 58.22 2jn6 s ILE 35 Cb 0.00 -2.52 -0.08 0.00 1.25 0.00 0.00 42.46 41.11 2jn6 s ILE 35 CO 0.00 0.00 0.99 0.21 0.24 0.00 0.00 174.94 176.38 2jn6 s ASN 36 N -3.54 6.60 0.38 4.36 3.84 -1.26 -4.28 114.94 121.04 2jn6 s ASN 36 Ca 0.29 1.62 0.06 0.00 0.21 0.00 0.00 52.86 55.04 2jn6 s ASN 36 Cb 0.05 -2.52 0.78 0.00 -0.55 0.00 0.00 41.25 39.02 2jn6 s ASN 36 CO 0.15 -0.60 2.01 -0.09 -2.79 0.00 0.00 177.10 175.78 2jn6 h ARG 37 N 1.05 0.66 -0.12 0.43 2.43 -1.93 -0.54 114.38 116.36 2jn6 h ARG 37 Ca -0.47 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 58.46 2jn6 h ARG 37 Cb 1.19 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.60 2jn6 h ARG 37 CO 0.61 0.44 -0.71 0.28 -1.51 0.00 0.00 179.97 179.08 2jn6 h VAL 38 N 0.68 1.31 -0.80 0.20 2.07 -1.99 -2.19 116.25 115.53 2jn6 h VAL 38 Ca 0.23 -1.95 0.05 0.00 0.82 0.00 0.00 66.70 65.85 2jn6 h VAL 38 Cb 0.08 2.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 2jn6 h VAL 38 CO -0.06 0.61 0.49 0.74 0.02 0.00 0.00 177.57 179.37 2jn6 h THR 39 N 0.39 1.05 -0.35 2.57 2.02 -1.76 0.02 112.91 116.85 2jn6 h THR 39 Ca -0.05 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2jn6 h THR 39 Cb 1.35 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 2jn6 h THR 39 CO 0.15 0.17 0.22 0.25 0.37 0.00 0.00 175.52 176.68 2jn6 h LEU 40 N 0.92 0.42 -0.76 2.58 5.85 -1.05 -2.34 115.31 120.92 2jn6 h LEU 40 Ca 0.34 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 2jn6 h LEU 40 Cb 0.12 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2jn6 h LEU 40 CO -0.15 0.33 0.47 0.50 -0.34 0.00 0.00 178.44 179.24 2jn6 h LYS 41 N 0.47 1.02 -0.98 1.25 3.64 -0.71 -1.61 116.57 119.65 2jn6 h LYS 41 Ca 0.13 -0.08 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 2jn6 h LYS 41 Cb -0.02 -0.22 -0.07 0.00 -0.41 0.00 0.00 32.23 31.51 2jn6 h LYS 41 CO -0.03 0.71 0.63 -0.91 -2.27 0.00 0.00 179.45 177.58 2jn6 h ASN 42 N 1.03 0.98 -0.59 4.20 2.35 -0.73 0.16 115.58 122.99 2jn6 h ASN 42 Ca 0.27 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.95 2jn6 h ASN 42 Cb -0.06 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 2jn6 h ASN 42 CO -0.05 0.61 0.02 -0.50 -1.65 0.00 0.00 177.43 175.85 2jn6 h TRP 43 N 1.10 1.11 -0.65 1.19 4.06 -0.83 -2.49 115.95 119.44 2jn6 h TRP 43 Ca 0.43 -0.18 -0.06 0.00 2.06 0.00 0.00 58.89 61.14 2jn6 h TRP 43 Cb 0.24 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 28.09 2jn6 h TRP 43 CO -0.00 0.98 0.15 0.82 -3.56 0.00 0.00 178.44 176.83 2jn6 h ILE 44 N 0.91 1.25 -0.24 1.49 2.04 -0.28 -1.47 117.51 121.21 2jn6 h ILE 44 Ca 0.17 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 2jn6 h ILE 44 Cb 0.52 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2jn6 h ILE 44 CO 0.03 0.35 0.13 0.40 0.00 0.00 0.00 178.15 179.06 2jn6 h ILE 45 N 0.97 1.11 0.39 -0.67 2.04 -0.56 0.34 117.51 121.13 2jn6 h ILE 45 Ca 0.21 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 2jn6 h ILE 45 Cb 0.35 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2jn6 h ILE 45 CO 0.00 0.10 -0.19 0.50 0.00 0.00 0.00 178.15 178.57 2jn6 h LYS 46 N 0.28 -0.51 0.00 2.37 3.64 -1.23 -3.05 116.57 118.07 2jn6 h LYS 46 Ca 0.08 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2jn6 h LYS 46 Cb 0.05 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2jn6 h LYS 46 CO -0.01 -0.20 -0.69 1.88 -2.27 0.00 0.00 179.45 178.16 2jn6 h TYR 47 N -0.91 0.00 0.00 1.91 -1.99 -1.34 -3.11 116.97 111.53 2jn6 h TYR 47 Ca -0.05 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.53 2jn6 h TYR 47 Cb 0.55 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.26 2jn6 h TYR 47 CO 0.02 0.00 -0.69 0.78 -0.00 0.00 0.00 178.16 178.28 2jn6 h GLY 48 N 4.03 0.00 0.06 3.88 0.00 -0.43 -3.33 103.07 107.28 2jn6 h GLY 48 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jn6 h GLY 48 CO 0.00 0.00 -0.03 1.76 0.00 0.00 0.00 176.54 178.27 2jn6 h SER 49 N 0.00 -0.07 0.00 0.19 0.02 -1.58 -3.50 113.55 108.61 2jn6 h SER 49 Ca -0.01 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2jn6 h SER 49 Cb 1.22 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2jn6 h SER 49 CO 0.09 0.46 0.00 -3.20 -1.14 0.00 0.00 176.83 173.04 2jn6 n ASN 50 N -4.82 0.00 -3.63 3.07 5.15 -1.17 -5.10 115.26 108.76 2jn6 n ASN 50 Ca -0.02 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.82 2jn6 n ASN 50 Cb 0.06 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.18 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 0.00 -0.42 -0.29 1.20 3.76 -1.26 -4.73 115.29 113.55 2jn6 s HIS 51 Ca 0.00 0.86 0.04 0.00 -0.15 0.00 0.00 55.06 55.81 2jn6 s HIS 51 Cb 0.00 -0.08 0.19 0.00 1.11 0.00 0.00 32.58 33.80 2jn6 s HIS 51 CO 0.00 -0.40 0.56 1.21 -0.85 0.00 0.00 174.74 175.26 2jn6 s ASN 52 N 2.41 -1.27 0.00 1.40 3.84 -1.26 -5.09 114.94 114.97 2jn6 s ASN 52 Ca 0.03 0.27 -0.03 0.00 0.21 0.00 0.00 52.86 53.33 2jn6 s ASN 52 Cb -0.13 1.92 -0.02 0.00 -0.55 0.00 0.00 41.25 42.48 2jn6 s ASN 52 CO -0.09 -0.30 0.69 0.58 -2.79 0.00 0.00 177.10 175.19 2jn6 h VAL 53 N 6.03 0.00 -2.05 -5.21 2.07 -1.99 -3.46 116.25 111.64 2jn6 h VAL 53 Ca -0.07 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.44 2jn6 h VAL 53 Cb 1.17 0.00 -0.22 0.00 -1.52 0.00 0.00 31.29 30.72 2jn6 h VAL 53 CO 0.19 0.00 -0.21 -1.10 0.02 0.00 0.00 177.57 176.48 2jn6 s GLN 54 N -2.54 0.51 0.00 1.57 -0.21 -1.26 -5.10 119.66 112.63 2jn6 s GLN 54 Ca -0.02 1.31 0.00 0.00 0.02 0.00 0.00 55.36 56.67 2jn6 s GLN 54 Cb 0.00 0.70 0.00 0.00 1.00 0.00 0.00 33.01 34.71 2jn6 s GLN 54 CO 0.05 -0.25 0.00 0.41 -2.12 0.00 0.00 175.29 173.38 2jn6 n GLY 55 N 5.43 2.45 3.04 3.09 0.00 -1.26 -5.07 105.19 112.87 2jn6 n GLY 55 Ca -0.10 -1.73 -0.02 0.00 0.00 0.00 0.00 46.02 44.17 2jn6 n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jn6 s THR 56 N -1.92 -0.82 -0.04 2.61 2.01 -1.26 -5.05 115.64 111.16 2jn6 s THR 56 Ca 0.00 -0.05 -0.02 0.00 0.31 0.00 0.00 61.69 61.93 2jn6 s THR 56 Cb 0.00 -0.93 0.03 0.00 0.01 0.00 0.00 72.50 71.61 2jn6 s THR 56 CO 0.00 -0.07 0.04 0.28 -0.69 0.00 0.00 174.62 174.18 2jn6 s THR 57 N 2.71 0.00 -0.50 -0.82 -1.32 -1.26 -5.11 115.64 109.35 2jn6 s THR 57 Ca 0.16 0.34 -0.16 0.00 -1.21 0.00 0.00 61.69 60.82 2jn6 s THR 57 Cb -0.14 -0.23 0.08 0.00 -1.51 0.00 0.00 72.50 70.70 2jn6 s THR 57 CO -0.21 0.19 0.46 -2.16 -2.21 0.00 0.00 174.62 170.70 2jn6 s PRO 58 N 2.02 3.00 -0.13 7.08 0.04 -1.26 -4.94 135.00 140.81 2jn6 s PRO 58 Ca 0.04 -1.36 -0.27 0.00 0.04 0.00 0.00 61.00 59.45 2jn6 s PRO 58 Cb -0.12 -4.17 -0.26 0.00 0.04 0.00 0.00 34.50 29.99 2jn6 s PRO 58 CO -0.03 -1.14 0.74 0.77 0.04 0.00 0.00 177.00 177.38 2jn6 h SER 59 N 8.84 0.07 1.59 6.66 0.02 -2.03 -3.37 113.55 125.34 2jn6 h SER 59 Ca -0.29 -0.96 -0.04 0.00 -0.84 0.00 0.00 61.79 59.67 2jn6 h SER 59 Cb 1.10 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 2jn6 h SER 59 CO 0.93 1.10 -0.19 0.00 -1.14 0.00 0.00 176.83 177.53 2jn6 h ALA 60 N -0.02 0.90 0.00 3.77 0.00 -2.03 -3.12 119.26 118.75 2jn6 h ALA 60 Ca -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2jn6 h ALA 60 Cb 1.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2jn6 h ALA 60 CO 0.01 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.49 2jn6 n ALA 61 N -2.16 2.21 0.01 0.00 0.00 -1.26 -2.30 120.51 117.02 2jn6 n ALA 61 Ca 0.02 -0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 2jn6 n ALA 61 Cb 0.56 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 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 0.01 0.00 2.07 -1.70 -1.17 116.25 116.74 2jn6 h VAL 62 Ca 0.00 -1.27 -0.19 0.00 0.82 0.00 0.00 66.70 66.06 2jn6 h VAL 62 Cb 0.18 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 2jn6 h VAL 62 CO 0.00 0.31 -0.89 0.28 0.02 0.00 0.00 177.57 177.29 2jn6 h SER 63 N -0.66 0.11 0.62 0.57 0.02 -1.77 -3.12 113.55 109.33 2jn6 h SER 63 Ca -0.01 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.79 2jn6 h SER 63 Cb 0.57 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 2jn6 h SER 63 CO 0.01 0.94 -0.24 -0.08 -1.14 0.00 0.00 176.83 176.33 2jn6 h GLU 64 N 0.04 0.00 -0.02 3.45 4.57 -1.51 -2.77 114.58 118.34 2jn6 h GLU 64 Ca -0.03 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2jn6 h GLU 64 Cb 1.54 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.13 2jn6 h GLU 64 CO 0.12 0.24 0.02 0.00 -1.18 0.00 0.00 179.01 178.21 2jn6 h ALA 65 N 1.76 1.56 0.30 2.92 0.00 -1.13 0.29 119.26 124.95 2jn6 h ALA 65 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jn6 h ALA 65 Cb 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2jn6 h ALA 65 CO 0.03 -0.03 -0.18 0.93 0.00 0.00 0.00 179.25 180.00 2jn6 h GLU 66 N 0.00 -0.44 0.03 0.00 4.39 -1.66 -1.06 114.58 115.84 2jn6 h GLU 66 Ca 0.01 0.03 -0.23 0.00 0.34 0.00 0.00 59.36 59.51 2jn6 h GLU 66 Cb 0.05 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2jn6 h GLU 66 CO -0.00 -0.30 -1.06 0.37 -1.16 0.00 0.00 179.01 176.86 2jn6 h GLN 67 N -0.46 0.07 -0.72 2.33 4.15 -1.34 -2.67 115.11 116.47 2jn6 h GLN 67 Ca -0.03 -0.11 -0.05 0.00 0.77 0.00 0.00 58.65 59.22 2jn6 h GLN 67 Cb 0.38 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 2jn6 h GLN 67 CO 0.03 1.05 0.25 0.82 -1.93 0.00 0.00 178.83 179.05 2jn6 h ILE 68 N 0.02 1.26 -0.62 2.39 2.04 -0.52 -1.32 117.51 120.75 2jn6 h ILE 68 Ca -0.04 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 64.97 2jn6 h ILE 68 Cb 1.82 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 2jn6 h ILE 68 CO 0.15 0.34 0.40 -0.09 0.00 0.00 0.00 178.15 178.95 2jn6 h ARG 69 N 1.05 0.77 -0.19 2.37 2.43 -1.08 0.64 114.38 120.38 2jn6 h ARG 69 Ca 0.24 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.38 2jn6 h ARG 69 Cb 0.27 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2jn6 h ARG 69 CO -0.01 0.51 0.05 0.37 -1.51 0.00 0.00 179.97 179.38 2jn6 h GLN 70 N 0.80 0.13 -0.61 0.20 -0.00 -1.10 0.49 115.11 115.02 2jn6 h GLN 70 Ca 0.24 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 58.80 2jn6 h GLN 70 Cb -0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 27.48 27.39 2jn6 h GLN 70 CO -0.08 0.09 0.05 1.25 0.00 0.00 0.00 178.83 180.15 2jn6 h LEU 71 N 0.14 0.99 0.32 -2.39 5.85 -1.00 -3.29 115.31 115.92 2jn6 h LEU 71 Ca 0.09 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 2jn6 h LEU 71 Cb 0.07 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.84 2jn6 h LEU 71 CO -0.10 1.01 -0.15 0.50 -0.34 0.00 0.00 178.44 179.36 2jn6 h LYS 72 N 0.95 -0.41 -4.55 1.25 3.64 -0.34 -3.45 116.57 113.66 2jn6 h LYS 72 Ca 0.18 0.03 -0.51 0.00 -1.27 0.00 0.00 60.65 59.08 2jn6 h LYS 72 Cb 0.48 0.09 -0.33 0.00 -0.41 0.00 0.00 32.23 32.06 2jn6 h LYS 72 CO 0.02 -0.11 -0.81 0.21 -2.27 0.00 0.00 179.45 176.49 2jn6 s LYS 73 N -3.65 1.69 0.01 1.90 2.20 0.17 -5.09 119.74 116.97 2jn6 s LYS 73 Ca -0.11 -0.41 -0.34 0.00 -0.36 0.00 0.00 55.97 54.75 2jn6 s LYS 73 Cb 0.01 -1.40 -0.12 0.00 -1.51 0.00 0.00 37.83 34.81 2jn6 s LYS 73 CO 0.39 0.03 1.77 0.39 -0.36 0.00 0.00 175.35 177.57 2jn6 n GLU 74 N 3.80 2.19 0.28 4.03 1.02 -1.25 -3.99 120.64 126.73 2jn6 n GLU 74 Ca -0.23 0.80 0.13 0.00 -0.02 0.00 0.00 57.16 57.84 2jn6 n GLU 74 Cb 0.52 -2.62 0.83 0.00 -0.02 0.00 0.00 31.44 30.14 2jn6 n GLU 74 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2jn6 h ASN 75 N 8.03 0.00 -0.32 1.62 -1.24 -1.86 -1.91 115.58 119.89 2jn6 h ASN 75 Ca -0.47 0.00 0.09 0.00 0.71 0.00 0.00 56.30 56.63 2jn6 h ASN 75 Cb 1.26 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.30 2jn6 h ASN 75 CO 0.93 0.01 0.32 0.00 -1.29 0.00 0.00 177.43 177.39 2jn6 h ALA 76 N 1.99 2.04 0.00 1.57 0.00 -1.97 -0.32 119.26 122.57 2jn6 h ALA 76 Ca -0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2jn6 h ALA 76 Cb 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2jn6 h ALA 76 CO 0.00 -0.48 -0.47 -0.07 0.00 0.00 0.00 179.25 178.23 2jn6 h LEU 77 N 0.00 0.00 0.00 0.00 3.38 -1.71 -3.00 115.31 113.98 2jn6 h LEU 77 Ca 0.15 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 2jn6 h LEU 77 Cb 0.78 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2jn6 h LEU 77 CO -0.00 0.47 -0.63 1.56 0.09 0.00 0.00 178.44 179.94 2jn6 h GLN 78 N 0.00 0.00 0.00 1.13 1.08 -1.24 -3.25 115.11 112.82 2jn6 h GLN 78 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2jn6 h GLN 78 Cb 0.93 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.36 2jn6 h GLN 78 CO 0.06 0.43 0.00 0.54 -0.95 0.00 0.00 178.83 178.92 2jn6 n ARG 79 N -3.16 0.13 0.31 1.46 1.74 -1.13 -1.89 116.66 114.13 2jn6 n ARG 79 Ca 0.00 0.37 0.21 0.00 -0.77 0.00 0.00 57.85 57.66 2jn6 n ARG 79 Cb 0.74 -1.75 1.00 0.00 -1.02 0.00 0.00 32.46 31.42 2jn6 n ARG 79 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jn6 h ALA 80 N 2.34 1.00 0.00 7.54 0.00 -1.66 -2.46 119.26 126.02 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 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2jn6 h ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2jn6 h ARG 81 N 0.00 0.00 -0.76 0.00 3.08 -1.63 -2.90 114.38 112.18 2jn6 h ARG 81 Ca -0.00 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.16 2jn6 h ARG 81 Cb 0.22 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 2jn6 h ARG 81 CO 0.00 0.00 0.50 1.15 -1.07 0.00 0.00 179.97 180.55 2jn6 h THR 82 N 0.00 0.89 -4.74 2.04 2.02 -1.66 -3.48 112.91 107.99 2jn6 h THR 82 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2jn6 h THR 82 Cb 0.39 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 2jn6 h THR 82 CO 0.00 0.11 -0.98 -1.14 0.37 0.00 0.00 175.52 173.87 2jn6 n ARG 83 N -4.50 -5.19 -4.00 6.66 0.63 -1.10 -5.00 116.66 104.16 2jn6 n ARG 83 Ca 0.13 3.76 -0.31 0.00 -0.92 0.00 0.00 57.85 60.51 2jn6 n ARG 83 Cb 0.39 -4.72 -0.15 0.00 0.45 0.00 0.00 32.46 28.43 2jn6 n ARG 83 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2jn6 s HIS 84 N -0.60 3.59 0.04 -0.14 2.46 -1.26 -5.10 115.29 114.28 2jn6 s HIS 84 Ca -0.00 -2.87 -0.00 0.00 0.47 0.00 0.00 55.06 52.66 2jn6 s HIS 84 Cb 0.00 -2.77 0.01 0.00 -0.13 0.00 0.00 32.58 29.69 2jn6 s HIS 84 CO 0.00 -0.94 0.06 -0.35 -2.47 0.00 0.00 174.74 171.04 2jn6 n PRO 85 N 4.31 0.34 -4.43 2.88 -0.04 -1.26 -5.12 135.00 131.68 2jn6 n PRO 85 Ca 0.02 -0.13 -0.25 0.00 -0.04 0.00 0.00 63.50 63.11 2jn6 n PRO 85 Cb 0.42 -0.05 -0.13 0.00 -0.04 0.00 0.00 33.50 33.70 2jn6 n PRO 85 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jn6 s ALA 86 N -3.23 1.82 0.49 0.55 0.00 -1.26 -5.02 121.76 115.10 2jn6 s ALA 86 Ca 0.04 -1.19 0.17 0.00 0.00 0.00 0.00 51.96 50.97 2jn6 s ALA 86 Cb -0.00 -0.29 1.19 0.00 0.00 0.00 0.00 23.12 24.02 2jn6 s ALA 86 CO 0.02 0.38 2.06 1.05 0.00 0.00 0.00 175.76 179.27 2jn6 h GLU 87 N 4.37 0.17 -0.88 0.00 4.11 -2.00 -0.92 114.58 119.43 2jn6 h GLU 87 Ca -0.45 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 58.96 2jn6 h GLU 87 Cb 1.17 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 2jn6 h GLU 87 CO 0.41 0.11 0.51 0.77 0.07 0.00 0.00 179.01 180.88 2jn6 h SER 88 N 0.17 1.07 1.43 3.06 0.02 -2.03 -2.72 113.55 114.55 2jn6 h SER 88 Ca 0.15 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 2jn6 h SER 88 Cb 0.39 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2jn6 h SER 88 CO -0.02 0.84 -0.35 0.00 -1.14 0.00 0.00 176.83 176.15 2jn6 h LEU 90 N 0.00 1.13 -0.56 0.00 5.85 -1.13 -2.43 115.31 118.18 2jn6 h LEU 90 Ca -0.00 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 2jn6 h LEU 90 Cb 1.16 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 2jn6 h LEU 90 CO 0.05 0.80 0.07 -0.33 -0.34 0.00 0.00 178.44 178.68 2jn6 h GLU 91 N 1.33 0.94 -6.46 1.25 3.07 -1.65 -3.40 114.58 109.66 2jn6 h GLU 91 Ca 0.38 -0.27 -0.55 0.00 -0.50 0.00 0.00 59.36 58.43 2jn6 h GLU 91 Cb -0.09 -0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 27.66 2jn6 h GLU 91 CO -0.10 0.92 1.07 -1.58 -1.40 0.00 0.00 179.01 177.92 2jn6 s HIS 92 N -5.15 2.36 -0.38 4.33 2.46 -0.91 -4.95 115.29 113.05 2jn6 s HIS 92 Ca -0.12 0.49 0.03 0.00 0.47 0.00 0.00 55.06 55.92 2jn6 s HIS 92 Cb 0.13 -4.41 0.11 0.00 -0.13 0.00 0.00 32.58 28.28 2jn6 s HIS 92 CO 0.83 -1.89 0.12 -1.58 -2.47 0.00 0.00 174.74 169.74 2jn6 s HIS 93 N 5.76 3.01 0.12 3.88 5.04 -1.26 -4.97 115.29 126.88 2jn6 s HIS 93 Ca 0.52 -2.70 -0.31 0.00 -1.54 0.00 0.00 55.06 51.03 2jn6 s HIS 93 Cb -0.10 -2.53 -0.10 0.00 0.04 0.00 0.00 32.58 29.89 2jn6 s HIS 93 CO 0.26 -0.88 1.77 -1.58 -2.34 0.00 0.00 174.74 171.98 2jn6 s HIS 94 N 0.78 2.31 -0.06 3.88 2.46 -1.26 -4.99 115.29 118.41 2jn6 s HIS 94 Ca 0.13 0.11 -0.12 0.00 0.47 0.00 0.00 55.06 55.64 2jn6 s HIS 94 Cb -0.20 -4.12 0.02 0.00 -0.13 0.00 0.00 32.58 28.15 2jn6 s HIS 94 CO -0.09 -4.56 0.30 -3.38 -2.47 0.00 0.00 174.74 164.54 2jn6 s HIS 95 N 2.50 -0.23 -0.13 3.88 -3.43 -1.26 -5.15 115.29 111.46 2jn6 s HIS 95 Ca 0.78 0.48 -0.04 0.00 -0.80 0.00 0.00 55.06 55.48 2jn6 s HIS 95 Cb -0.45 0.09 0.07 0.00 -1.43 0.00 0.00 32.58 30.86 2jn6 s HIS 95 CO 0.35 -0.28 0.25 -1.58 -2.00 0.00 0.00 174.74 171.47 2jn6 s HIS 96 N -0.67 -0.38 0.00 0.38 2.46 -1.26 -5.33 115.29 110.48 2jn6 s HIS 96 Ca -0.08 0.87 0.00 0.00 0.47 0.00 0.00 55.06 56.32 2jn6 s HIS 96 Cb -0.04 -0.09 0.00 0.00 -0.13 0.00 0.00 32.58 32.32 2jn6 s HIS 96 CO 0.02 -0.37 0.00 1.58 -2.47 0.00 0.00 174.74 173.51