#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 3.33 -0.19 0.03 0.02 -1.26 -5.01 135.00 131.92 2jn6 s PRO 2 Ca 0.00 1.45 -0.21 0.00 0.02 0.00 0.00 61.00 62.25 2jn6 s PRO 2 Cb 0.00 -2.02 -0.02 0.00 0.02 0.00 0.00 34.50 32.48 2jn6 s PRO 2 CO 0.00 -0.83 0.65 0.95 -0.33 0.00 0.00 177.00 177.44 2jn6 s THR 3 N -2.04 5.01 -1.16 0.99 -4.23 -1.26 -4.98 115.64 107.97 2jn6 s THR 3 Ca 0.69 1.23 -0.21 0.00 -1.18 0.00 0.00 61.69 62.23 2jn6 s THR 3 Cb -0.20 -3.96 0.04 0.00 1.34 0.00 0.00 72.50 69.71 2jn6 s THR 3 CO 0.30 0.11 1.66 -0.75 -0.54 0.00 0.00 174.62 175.40 2jn6 s LYS 4 N 1.89 3.62 0.47 3.99 2.36 -1.26 -4.73 119.74 126.08 2jn6 s LYS 4 Ca 0.30 -1.49 -0.20 0.00 -2.55 0.00 0.00 55.97 52.03 2jn6 s LYS 4 Cb -0.16 -5.42 -0.09 0.00 -1.05 0.00 0.00 37.83 31.11 2jn6 s LYS 4 CO 0.11 -2.46 1.02 -0.08 1.55 0.00 0.00 175.35 175.49 2jn6 s THR 5 N 5.46 3.93 -0.19 3.43 -1.32 -1.26 -5.06 115.64 120.63 2jn6 s THR 5 Ca 0.53 1.21 -0.05 0.00 -1.21 0.00 0.00 61.69 62.17 2jn6 s THR 5 Cb 0.01 -3.49 0.09 0.00 -1.51 0.00 0.00 72.50 67.61 2jn6 s THR 5 CO 0.01 -0.26 0.33 -0.72 -2.21 0.00 0.00 174.62 171.78 2jn6 s TYR 6 N -2.02 -0.62 0.74 9.09 1.13 -1.26 -5.02 117.35 119.39 2jn6 s TYR 6 Ca 0.66 0.98 -0.11 0.00 -1.41 0.00 0.00 57.07 57.19 2jn6 s TYR 6 Cb -0.15 0.03 0.04 0.00 -1.10 0.00 0.00 41.96 40.78 2jn6 s TYR 6 CO 0.18 -0.53 1.08 -1.12 -2.51 0.00 0.00 175.55 172.66 2jn6 s SER 7 N 2.50 4.81 0.57 -0.18 0.01 -1.26 -4.91 113.70 115.23 2jn6 s SER 7 Ca 0.04 1.77 0.25 0.00 1.31 0.00 0.00 55.95 59.33 2jn6 s SER 7 Cb -0.13 -2.52 1.65 0.00 0.21 0.00 0.00 66.02 65.23 2jn6 s SER 7 CO -0.12 -1.83 2.22 -0.33 0.41 0.00 0.00 173.24 173.59 2jn6 h GLU 8 N -0.93 0.00 -0.98 12.44 3.07 -2.01 -1.98 114.58 124.19 2jn6 h GLU 8 Ca -0.44 0.00 0.17 0.00 -0.50 0.00 0.00 59.36 58.59 2jn6 h GLU 8 Cb 1.23 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 29.04 2jn6 h GLU 8 CO 0.53 0.00 0.61 1.49 -1.40 0.00 0.00 179.01 180.25 2jn6 h GLU 9 N 0.00 0.76 -0.16 2.33 4.57 -1.98 0.32 114.58 120.42 2jn6 h GLU 9 Ca -0.00 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 2jn6 h GLU 9 Cb 0.01 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.42 2jn6 h GLU 9 CO 0.00 0.51 -0.08 0.35 -1.18 0.00 0.00 179.01 178.61 2jn6 h PHE 10 N 0.79 0.39 -0.57 0.92 3.57 -1.72 0.29 116.94 120.61 2jn6 h PHE 10 Ca 0.53 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.93 2jn6 h PHE 10 Cb 0.79 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 2jn6 h PHE 10 CO -0.00 0.66 0.35 0.87 -2.23 0.00 0.00 178.31 177.95 2jn6 h LYS 11 N 0.02 0.77 -0.06 1.11 1.57 -1.46 -0.78 116.57 117.74 2jn6 h LYS 11 Ca 0.04 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2jn6 h LYS 11 Cb 0.55 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2jn6 h LYS 11 CO 0.02 0.55 -0.04 -0.09 -0.57 0.00 0.00 179.45 179.32 2jn6 h ARG 12 N 0.76 -0.04 -0.40 3.15 2.43 -0.18 -2.11 114.38 117.99 2jn6 h ARG 12 Ca 0.20 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.29 2jn6 h ARG 12 Cb -0.03 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 2jn6 h ARG 12 CO -0.04 -0.02 -0.09 0.22 -1.51 0.00 0.00 179.97 178.53 2jn6 h ASP 13 N -0.04 0.68 -0.44 -3.80 3.58 -0.25 -0.64 116.42 115.52 2jn6 h ASP 13 Ca 0.04 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.30 2jn6 h ASP 13 Cb 0.09 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 2jn6 h ASP 13 CO -0.09 0.81 0.28 0.00 -2.88 0.00 0.00 179.24 177.36 2jn6 h ALA 14 N 1.26 0.55 -0.19 -0.78 0.00 -0.88 0.69 119.26 119.92 2jn6 h ALA 14 Ca 0.12 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 2jn6 h ALA 14 Cb 0.53 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2jn6 h ALA 14 CO 0.03 0.02 -0.50 0.28 0.00 0.00 0.00 179.25 179.08 2jn6 h VAL 15 N 0.58 1.32 -0.25 0.00 2.07 -1.12 -2.76 116.25 116.09 2jn6 h VAL 15 Ca 0.16 -1.73 -0.05 0.00 0.82 0.00 0.00 66.70 65.89 2jn6 h VAL 15 Cb -0.04 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2jn6 h VAL 15 CO -0.03 0.54 -0.08 0.00 0.02 0.00 0.00 177.57 178.02 2jn6 h ALA 16 N 1.05 1.40 -0.19 1.67 0.00 -0.66 -1.43 119.26 121.11 2jn6 h ALA 16 Ca 0.02 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2jn6 h ALA 16 Cb 1.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2jn6 h ALA 16 CO 0.09 0.41 -0.30 1.25 0.00 0.00 0.00 179.25 180.71 2jn6 h LEU 17 N 0.38 0.37 -1.71 0.00 7.12 -0.68 -2.55 115.31 118.23 2jn6 h LEU 17 Ca 0.08 -0.13 -0.03 0.00 0.13 0.00 0.00 57.88 57.93 2jn6 h LEU 17 Cb 0.38 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 40.40 2jn6 h LEU 17 CO 0.02 0.65 -0.14 0.22 -0.13 0.00 0.00 178.44 179.06 2jn6 h TYR 18 N 0.32 0.00 0.00 1.25 3.20 -0.99 -0.14 116.97 120.61 2jn6 h TYR 18 Ca 0.04 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 2jn6 h TYR 18 Cb 0.69 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.95 2jn6 h TYR 18 CO 0.02 0.14 -0.12 0.93 -1.64 0.00 0.00 178.16 177.49 2jn6 h GLU 19 N 0.00 0.00 -0.65 1.82 5.08 -1.15 -2.38 114.58 117.30 2jn6 h GLU 19 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2jn6 h GLU 19 Cb 0.45 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.61 2jn6 h GLU 19 CO 0.02 0.12 0.17 0.09 -1.00 0.00 0.00 179.01 178.40 2jn6 n ASN 20 N -3.56 4.98 0.23 1.42 3.02 -0.07 -4.52 115.26 116.76 2jn6 n ASN 20 Ca -0.02 -3.15 0.16 0.00 -0.03 0.00 0.00 54.58 51.54 2jn6 n ASN 20 Cb 0.25 -0.71 0.77 0.00 -0.61 0.00 0.00 39.78 39.48 2jn6 n ASN 20 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2jn6 h SER 21 N 2.94 0.00 -0.99 6.41 4.64 -1.42 -2.13 113.55 123.00 2jn6 h SER 21 Ca 0.17 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.72 2jn6 h SER 21 Cb 2.17 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 64.14 2jn6 h SER 21 CO 0.63 0.00 0.57 -0.78 -0.87 0.00 0.00 176.83 176.38 2jn6 h ASP 22 N 0.00 0.66 0.00 4.97 1.82 -1.85 -1.85 116.42 120.17 2jn6 h ASP 22 Ca 0.00 0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.77 2jn6 h ASP 22 Cb 0.16 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.20 2jn6 h ASP 22 CO 0.00 0.14 -0.01 0.61 -1.61 0.00 0.00 179.24 178.37 2jn6 n GLY 23 N -1.32 4.16 2.65 -0.78 0.00 -0.84 -4.97 105.19 104.11 2jn6 n GLY 23 Ca 0.25 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.20 0.39 0.67 4.61 0.00 -0.70 -5.11 121.76 119.42 2jn6 s ALA 24 Ca 0.21 -0.11 -0.14 0.00 0.00 0.00 0.00 51.96 51.91 2jn6 s ALA 24 Cb 0.18 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.45 2jn6 s ALA 24 CO 0.02 -0.85 1.10 0.45 0.00 0.00 0.00 175.76 176.48 2jn6 s SER 25 N 2.12 5.12 0.23 0.00 0.15 -1.26 -4.22 113.70 115.85 2jn6 s SER 25 Ca 0.03 1.94 -0.06 0.00 0.70 0.00 0.00 55.95 58.57 2jn6 s SER 25 Cb -0.14 -2.54 0.37 0.00 -1.71 0.00 0.00 66.02 61.99 2jn6 s SER 25 CO -0.06 -1.62 1.79 0.25 1.20 0.00 0.00 173.24 174.80 2jn6 h LEU 26 N -0.09 0.55 -0.22 3.45 7.12 -2.01 -0.81 115.31 123.30 2jn6 h LEU 26 Ca -0.46 0.06 -0.04 0.00 0.13 0.00 0.00 57.88 57.56 2jn6 h LEU 26 Cb 1.24 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 41.32 2jn6 h LEU 26 CO 0.54 0.31 -0.03 -0.61 -0.13 0.00 0.00 178.44 178.53 2jn6 h GLN 27 N 0.68 0.41 -0.61 1.25 5.75 -1.96 -3.13 115.11 117.49 2jn6 h GLN 27 Ca 0.37 -0.14 0.10 0.00 -0.15 0.00 0.00 58.65 58.83 2jn6 h GLN 27 Cb 0.38 -0.03 -0.08 0.00 1.07 0.00 0.00 27.48 28.82 2jn6 h GLN 27 CO -0.26 0.62 0.20 0.37 -2.65 0.00 0.00 178.83 177.11 2jn6 h GLN 28 N 0.15 0.36 0.55 1.69 -0.00 -1.63 0.61 115.11 116.85 2jn6 h GLN 28 Ca 0.06 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.67 2jn6 h GLN 28 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.85 2jn6 h GLN 28 CO 0.02 0.24 -0.36 0.82 0.00 0.00 0.00 178.83 179.55 2jn6 h ILE 29 N 0.37 0.27 -0.51 2.39 2.04 -1.22 0.15 117.51 121.00 2jn6 h ILE 29 Ca 0.31 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.10 2jn6 h ILE 29 Cb 0.41 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2jn6 h ILE 29 CO -0.33 0.00 0.04 0.00 0.00 0.00 0.00 178.15 177.85 2jn6 h ALA 30 N -0.50 1.10 -0.35 1.87 0.00 -1.37 -2.40 119.26 117.61 2jn6 h ALA 30 Ca -0.06 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 2jn6 h ALA 30 Cb 0.71 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2jn6 h ALA 30 CO 0.05 0.58 -0.19 -0.97 0.00 0.00 0.00 179.25 178.72 2jn6 h ASN 31 N 0.79 0.66 -0.30 0.00 -1.24 0.39 0.36 115.58 116.23 2jn6 h ASN 31 Ca 0.16 -0.22 -0.16 0.00 0.71 0.00 0.00 56.30 56.79 2jn6 h ASN 31 Cb 0.42 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.29 2jn6 h ASN 31 CO 0.01 0.85 -0.45 -0.78 -1.29 0.00 0.00 177.43 175.78 2jn6 h ASP 32 N 0.59 0.92 -0.04 1.15 3.58 -0.39 -3.19 116.42 119.03 2jn6 h ASP 32 Ca 0.09 -0.51 -0.24 0.00 0.42 0.00 0.00 57.03 56.79 2jn6 h ASP 32 Cb 0.65 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 41.45 2jn6 h ASP 32 CO 0.05 1.25 -0.90 -0.07 -2.88 0.00 0.00 179.24 176.68 2jn6 h LEU 33 N 0.61 0.89 0.00 2.28 4.07 -1.29 -3.48 115.31 118.40 2jn6 h LEU 33 Ca 0.03 -0.65 0.00 0.00 0.08 0.00 0.00 57.88 57.34 2jn6 h LEU 33 Cb 1.05 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.52 2jn6 h LEU 33 CO 0.10 1.45 0.00 0.61 -1.08 0.00 0.00 178.44 179.52 2jn6 n GLY 34 N 0.88 1.25 3.92 0.83 0.00 0.11 -5.11 105.19 107.07 2jn6 n GLY 34 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 2.42 0.32 -0.61 -4.36 -0.31 -5.00 121.20 111.66 2jn6 s ILE 35 Ca 0.00 -1.28 -0.27 0.00 -0.26 0.00 0.00 60.65 58.85 2jn6 s ILE 35 Cb 0.00 -2.69 -0.10 0.00 1.25 0.00 0.00 42.46 40.92 2jn6 s ILE 35 CO 0.00 0.00 0.98 0.21 0.24 0.00 0.00 174.94 176.37 2jn6 s ASN 36 N -4.27 7.27 0.33 4.36 3.84 -1.26 -4.33 114.94 120.87 2jn6 s ASN 36 Ca 0.48 1.95 0.14 0.00 0.21 0.00 0.00 52.86 55.64 2jn6 s ASN 36 Cb -0.04 -2.59 0.54 0.00 -0.55 0.00 0.00 41.25 38.61 2jn6 s ASN 36 CO 0.29 -0.12 1.69 0.08 -2.79 0.00 0.00 177.10 176.25 2jn6 h ARG 37 N 3.29 0.00 -0.07 0.43 0.11 -1.91 -1.06 114.38 115.16 2jn6 h ARG 37 Ca -0.47 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.48 2jn6 h ARG 37 Cb 1.20 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.29 2jn6 h ARG 37 CO 0.65 0.49 -0.46 0.28 0.10 0.00 0.00 179.97 181.04 2jn6 h VAL 38 N 0.00 1.40 -0.68 0.08 2.07 -1.97 -0.20 116.25 116.95 2jn6 h VAL 38 Ca -0.00 -1.84 -0.01 0.00 0.82 0.00 0.00 66.70 65.66 2jn6 h VAL 38 Cb 0.95 2.32 -0.03 0.00 -1.52 0.00 0.00 31.29 33.00 2jn6 h VAL 38 CO 0.06 0.54 0.37 0.74 0.02 0.00 0.00 177.57 179.30 2jn6 h THR 39 N -0.02 1.21 -0.07 2.57 2.02 -1.93 0.39 112.91 117.07 2jn6 h THR 39 Ca -0.04 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.62 2jn6 h THR 39 Cb 1.12 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2jn6 h THR 39 CO 0.09 0.23 0.03 0.25 0.37 0.00 0.00 175.52 176.49 2jn6 h LEU 40 N 0.95 0.09 -1.09 2.58 5.85 -1.16 -2.99 115.31 119.53 2jn6 h LEU 40 Ca 0.24 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.93 2jn6 h LEU 40 Cb 0.03 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 2jn6 h LEU 40 CO -0.04 0.20 0.61 0.50 -0.34 0.00 0.00 178.44 179.37 2jn6 h LYS 41 N -0.03 0.97 0.10 1.25 3.64 -0.17 -1.37 116.57 120.95 2jn6 h LYS 41 Ca 0.02 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2jn6 h LYS 41 Cb 0.13 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 2jn6 h LYS 41 CO -0.00 0.64 -0.21 -0.91 -2.27 0.00 0.00 179.45 176.70 2jn6 h ASN 42 N 1.00 -0.59 -0.50 4.20 4.21 -0.83 -1.91 115.58 121.15 2jn6 h ASN 42 Ca 0.45 0.07 -0.05 0.00 1.21 0.00 0.00 56.30 57.98 2jn6 h ASN 42 Cb 0.37 0.23 -0.03 0.00 -1.12 0.00 0.00 38.32 37.78 2jn6 h ASN 42 CO -0.20 -0.29 0.15 -0.50 -1.29 0.00 0.00 177.43 175.30 2jn6 h TRP 43 N -0.39 0.86 -0.42 1.19 6.55 -1.23 0.56 115.95 123.07 2jn6 h TRP 43 Ca 0.03 -0.07 0.04 0.00 0.95 0.00 0.00 58.89 59.84 2jn6 h TRP 43 Cb 0.42 -0.26 -0.04 0.00 -0.86 0.00 0.00 29.16 28.42 2jn6 h TRP 43 CO -0.21 0.71 0.19 0.82 -1.05 0.00 0.00 178.44 178.90 2jn6 h ILE 44 N 0.82 0.93 -0.02 1.49 2.04 -0.97 -0.06 117.51 121.73 2jn6 h ILE 44 Ca 0.18 -0.13 -0.20 0.00 1.00 0.00 0.00 64.86 65.71 2jn6 h ILE 44 Cb 0.27 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2jn6 h ILE 44 CO -0.01 0.07 -0.85 0.40 0.00 0.00 0.00 178.15 177.76 2jn6 h ILE 45 N 0.38 1.43 -0.51 -0.67 2.04 -1.05 0.58 117.51 119.71 2jn6 h ILE 45 Ca 0.19 -2.41 -0.11 0.00 1.00 0.00 0.00 64.86 63.52 2jn6 h ILE 45 Cb 0.13 2.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 2jn6 h ILE 45 CO -0.16 0.71 -0.13 0.50 0.00 0.00 0.00 178.15 179.07 2jn6 h LYS 46 N 0.19 0.96 0.00 2.37 3.64 -0.40 -2.98 116.57 120.36 2jn6 h LYS 46 Ca -0.05 -0.36 -0.36 0.00 -1.27 0.00 0.00 60.65 58.61 2jn6 h LYS 46 Cb 1.46 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 33.16 2jn6 h LYS 46 CO 0.14 1.03 -2.35 0.66 -2.27 0.00 0.00 179.45 176.66 2jn6 n TYR 47 N -4.14 0.00 -1.32 1.91 4.01 -0.08 -3.92 117.16 113.62 2jn6 n TYR 47 Ca 0.01 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.52 2jn6 n TYR 47 Cb 0.41 -0.93 -0.06 0.00 -0.31 0.00 0.00 39.34 38.45 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 2.23 4.08 0.25 2.72 0.00 0.19 -4.55 105.19 110.12 2jn6 n GLY 48 Ca -0.40 -1.65 -0.09 0.00 0.00 0.00 0.00 46.02 43.88 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 2.77 0.78 -2.71 1.61 0.02 -1.71 -3.43 113.55 110.88 2jn6 h SER 49 Ca 0.34 -0.33 -0.57 0.00 -0.84 0.00 0.00 61.79 60.39 2jn6 h SER 49 Cb 0.87 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 2jn6 h SER 49 CO 0.75 1.05 1.18 0.20 -1.14 0.00 0.00 176.83 178.87 2jn6 s ASN 50 N -6.82 6.24 -0.01 3.07 0.01 -1.26 -4.72 114.94 111.44 2jn6 s ASN 50 Ca -0.09 1.59 -0.05 0.00 -0.71 0.00 0.00 52.86 53.60 2jn6 s ASN 50 Cb 0.12 -2.53 0.02 0.00 0.41 0.00 0.00 41.25 39.27 2jn6 s ASN 50 CO 0.85 -1.38 0.22 1.41 -1.51 0.00 0.00 177.10 176.69 2jn6 n HIS 51 N 8.94 -0.11 -0.88 2.20 8.25 -1.26 -4.99 115.22 127.36 2jn6 n HIS 51 Ca 0.20 -0.11 -0.13 0.00 -0.26 0.00 0.00 57.72 57.42 2jn6 n HIS 51 Cb 0.45 0.05 -0.00 0.00 1.12 0.00 0.00 29.99 31.61 2jn6 n HIS 51 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2jn6 n ASN 52 N -0.25 6.09 0.04 0.41 2.85 -1.26 -4.38 115.26 118.76 2jn6 n ASN 52 Ca 0.01 -2.87 -0.21 0.00 -0.11 0.00 0.00 54.58 51.40 2jn6 n ASN 52 Cb 0.10 -1.13 -0.14 0.00 1.24 0.00 0.00 39.78 39.84 2jn6 n ASN 52 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 2jn6 h VAL 53 N 1.22 1.34 -0.75 3.44 -1.51 -1.94 -3.50 116.25 114.54 2jn6 h VAL 53 Ca 0.22 -2.50 0.00 0.00 -1.23 0.00 0.00 66.70 63.20 2jn6 h VAL 53 Cb 0.96 3.03 0.00 0.00 -2.13 0.00 0.00 31.29 33.15 2jn6 h VAL 53 CO 0.54 0.71 0.00 1.67 -1.23 0.00 0.00 177.57 179.26 2jn6 n GLN 54 N -4.05 0.00 0.00 5.19 -0.06 -1.26 -5.13 117.38 112.07 2jn6 n GLN 54 Ca -0.18 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.82 2jn6 n GLN 54 Cb 0.86 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 27.04 2jn6 n GLN 54 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2jn6 n GLY 55 N 0.00 0.13 2.96 1.69 0.00 -1.26 -4.97 105.19 103.74 2jn6 n GLY 55 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -0.70 -0.11 2.61 -4.23 -1.26 -5.08 115.64 106.88 2jn6 s THR 56 Ca 0.00 -0.27 -0.00 0.00 -1.18 0.00 0.00 61.69 60.23 2jn6 s THR 56 Cb 0.00 -0.92 0.02 0.00 1.34 0.00 0.00 72.50 72.94 2jn6 s THR 56 CO 0.00 -0.24 -0.07 0.42 -0.54 0.00 0.00 174.62 174.19 2jn6 s THR 57 N 2.49 0.98 -1.00 3.99 -4.23 -1.26 -5.07 115.64 111.54 2jn6 s THR 57 Ca 0.10 -0.27 -0.25 0.00 -1.18 0.00 0.00 61.69 60.10 2jn6 s THR 57 Cb -0.12 -1.00 -0.11 0.00 1.34 0.00 0.00 72.50 72.61 2jn6 s THR 57 CO -0.27 0.36 2.06 -2.16 -0.54 0.00 0.00 174.62 174.08 2jn6 s PRO 58 N 1.67 2.09 0.07 3.99 0.04 -1.26 -4.68 135.00 136.92 2jn6 s PRO 58 Ca 0.04 -0.43 0.17 0.00 0.04 0.00 0.00 61.00 60.82 2jn6 s PRO 58 Cb -0.13 -5.05 -0.12 0.00 0.04 0.00 0.00 34.50 29.24 2jn6 s PRO 58 CO -0.07 -4.17 0.85 0.77 0.04 0.00 0.00 177.00 174.41 2jn6 h SER 59 N 11.15 0.00 -0.08 6.66 0.02 -1.96 -3.35 113.55 126.00 2jn6 h SER 59 Ca 0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2jn6 h SER 59 Cb 0.98 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 2jn6 h SER 59 CO 1.14 0.54 0.04 0.00 -1.14 0.00 0.00 176.83 177.40 2jn6 h ALA 60 N 1.46 1.88 -0.08 3.77 0.00 -1.84 -1.77 119.26 122.69 2jn6 h ALA 60 Ca -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2jn6 h ALA 60 Cb 1.54 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2jn6 h ALA 60 CO 0.04 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.40 2jn6 n ALA 61 N -2.52 2.52 -0.06 0.00 0.00 -1.26 -3.55 120.51 115.65 2jn6 n ALA 61 Ca -0.01 -0.57 -0.07 0.00 0.00 0.00 0.00 53.44 52.79 2jn6 n ALA 61 Cb 0.11 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 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 3.13 0.75 0.00 0.00 2.07 -1.49 -3.30 116.25 117.41 2jn6 h VAL 62 Ca 0.00 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 65.94 2jn6 h VAL 62 Cb 0.67 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2jn6 h VAL 62 CO 0.00 0.25 0.00 0.28 0.02 0.00 0.00 177.57 178.12 2jn6 h SER 63 N -1.00 0.00 1.15 0.57 0.02 -1.74 -3.13 113.55 109.42 2jn6 h SER 63 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2jn6 h SER 63 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2jn6 h SER 63 CO -0.01 0.00 0.00 -0.08 -1.14 0.00 0.00 176.83 175.60 2jn6 h GLU 64 N 0.00 0.00 -1.02 3.45 4.57 -1.70 -3.26 114.58 116.62 2jn6 h GLU 64 Ca 0.00 0.00 0.28 0.00 -1.18 0.00 0.00 59.36 58.46 2jn6 h GLU 64 Cb 0.92 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.45 2jn6 h GLU 64 CO 0.00 0.00 0.71 0.00 -1.18 0.00 0.00 179.01 178.54 2jn6 h ALA 65 N 2.21 2.65 -0.53 2.92 0.00 -1.62 0.29 119.26 125.19 2jn6 h ALA 65 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2jn6 h ALA 65 Cb 0.57 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2jn6 h ALA 65 CO 0.00 -0.98 0.31 1.49 0.00 0.00 0.00 179.25 180.07 2jn6 h GLU 66 N 0.17 0.60 0.01 0.00 4.57 -1.83 -0.28 114.58 117.82 2jn6 h GLU 66 Ca 0.52 -0.04 -0.23 0.00 -1.18 0.00 0.00 59.36 58.43 2jn6 h GLU 66 Cb 1.74 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 30.20 2jn6 h GLU 66 CO -0.12 0.40 -0.97 1.96 -1.18 0.00 0.00 179.01 179.10 2jn6 h GLN 67 N 0.62 0.43 0.31 1.92 1.08 -0.77 -3.14 115.11 115.55 2jn6 h GLN 67 Ca 0.22 -0.48 -0.01 0.00 -1.45 0.00 0.00 58.65 56.93 2jn6 h GLN 67 Cb 0.04 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 2jn6 h GLN 67 CO -0.11 1.14 -0.22 0.82 -0.95 0.00 0.00 178.83 179.51 2jn6 h ILE 68 N 0.24 0.54 0.00 2.54 2.04 -0.61 -1.67 117.51 120.59 2jn6 h ILE 68 Ca -0.09 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 2jn6 h ILE 68 Cb 1.61 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 2jn6 h ILE 68 CO 0.17 0.00 -0.19 0.08 0.00 0.00 0.00 178.15 178.21 2jn6 h ARG 69 N -0.52 0.00 0.09 2.37 0.11 -1.14 0.30 114.38 115.60 2jn6 h ARG 69 Ca -0.03 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.05 2jn6 h ARG 69 Cb 0.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.52 2jn6 h ARG 69 CO 0.01 0.19 -0.04 0.37 0.10 0.00 0.00 179.97 180.59 2jn6 h GLN 70 N 0.00 -0.11 0.00 0.08 -0.00 -1.43 -2.82 115.11 110.82 2jn6 h GLN 70 Ca -0.00 0.01 -0.18 0.00 -0.00 0.00 0.00 58.65 58.47 2jn6 h GLN 70 Cb 0.38 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 27.86 2jn6 h GLN 70 CO 0.02 0.34 -0.85 1.25 0.00 0.00 0.00 178.83 179.59 2jn6 h LEU 71 N -0.62 0.08 -0.70 -2.39 5.85 -1.00 -3.16 115.31 113.36 2jn6 h LEU 71 Ca -0.01 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.51 2jn6 h LEU 71 Cb 0.51 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2jn6 h LEU 71 CO 0.02 0.89 -0.52 0.50 -0.34 0.00 0.00 178.44 178.99 2jn6 h LYS 72 N 0.03 0.36 0.00 1.25 3.64 -0.50 -3.40 116.57 117.95 2jn6 h LYS 72 Ca -0.02 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2jn6 h LYS 72 Cb 1.49 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 2jn6 h LYS 72 CO 0.12 0.79 0.00 1.17 -2.27 0.00 0.00 179.45 179.26 2jn6 n LYS 73 N -3.95 0.00 -3.91 1.90 3.00 -1.07 -4.94 118.16 109.19 2jn6 n LYS 73 Ca -0.02 0.13 -0.35 0.00 -0.00 0.00 0.00 58.31 58.07 2jn6 n LYS 73 Cb 0.57 -0.51 -0.14 0.00 0.00 0.00 0.00 35.03 34.94 2jn6 n LYS 73 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2jn6 s GLU 74 N -0.44 3.22 0.47 1.64 0.41 -1.20 -4.95 118.70 117.85 2jn6 s GLU 74 Ca 0.00 -0.73 0.30 0.00 -0.41 0.00 0.00 54.97 54.13 2jn6 s GLU 74 Cb 0.00 -3.02 1.06 0.00 -1.78 0.00 0.00 34.13 30.39 2jn6 s GLU 74 CO 0.00 -0.26 1.85 -0.91 -0.49 0.00 0.00 175.26 175.45 2jn6 h ASN 75 N 8.10 0.00 -0.02 -0.19 4.21 -1.84 -3.05 115.58 122.78 2jn6 h ASN 75 Ca -0.39 0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.13 2jn6 h ASN 75 Cb 1.15 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.34 2jn6 h ASN 75 CO 0.60 0.00 0.03 0.00 -1.29 0.00 0.00 177.43 176.77 2jn6 h ALA 76 N 2.07 1.46 0.00 -0.83 0.00 -1.95 -1.23 119.26 118.77 2jn6 h ALA 76 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2jn6 h ALA 76 Cb 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2jn6 h ALA 76 CO 0.00 -0.04 -0.17 -0.07 0.00 0.00 0.00 179.25 178.97 2jn6 h LEU 77 N 0.00 0.00 -2.03 0.00 3.38 -1.90 -3.07 115.31 111.70 2jn6 h LEU 77 Ca 0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2jn6 h LEU 77 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2jn6 h LEU 77 CO -0.00 0.17 0.04 0.06 0.09 0.00 0.00 178.44 178.79 2jn6 h GLN 78 N 0.00 0.00 0.00 1.13 3.07 -1.45 -0.48 115.11 117.38 2jn6 h GLN 78 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2jn6 h GLN 78 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.06 2jn6 h GLN 78 CO 0.02 0.00 0.00 0.54 0.09 0.00 0.00 178.83 179.48 2jn6 n ARG 79 N -4.48 0.23 0.22 0.06 1.74 -1.16 -2.50 116.66 110.77 2jn6 n ARG 79 Ca -0.02 0.27 0.12 0.00 -0.77 0.00 0.00 57.85 57.46 2jn6 n ARG 79 Cb 0.14 -1.81 0.21 0.00 -1.02 0.00 0.00 32.46 29.97 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 2.46 1.00 0.00 7.54 0.00 -1.26 -3.08 119.26 125.92 2jn6 h ALA 80 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jn6 h ALA 80 Cb 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2jn6 h ALA 80 CO 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.21 2jn6 h ARG 81 N 0.00 0.00 0.00 0.00 3.08 -1.54 -2.77 114.38 113.15 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 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 2jn6 h ARG 81 CO 0.00 0.04 0.00 2.41 -1.07 0.00 0.00 179.97 181.35 2jn6 n THR 82 N -3.16 0.81 -2.51 2.04 -1.04 -1.16 -4.77 114.28 104.49 2jn6 n THR 82 Ca 0.00 0.18 -0.36 0.00 -2.04 0.00 0.00 64.05 61.83 2jn6 n THR 82 Cb 0.32 -1.04 -0.04 0.00 -1.82 0.00 0.00 70.33 67.75 2jn6 n THR 82 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2jn6 s ARG 83 N -3.21 4.05 0.27 -2.82 3.52 -1.04 -4.98 118.95 114.74 2jn6 s ARG 83 Ca 0.06 1.51 -0.30 0.00 -0.13 0.00 0.00 55.73 56.88 2jn6 s ARG 83 Cb 0.10 -2.44 -0.10 0.00 -1.56 0.00 0.00 34.95 30.95 2jn6 s ARG 83 CO 0.39 -0.24 1.41 -1.01 -0.81 0.00 0.00 175.30 175.03 2jn6 s HIS 84 N -1.71 3.00 1.15 5.12 3.76 -1.26 -4.98 115.29 120.37 2jn6 s HIS 84 Ca 0.60 1.13 -0.16 0.00 -0.15 0.00 0.00 55.06 56.48 2jn6 s HIS 84 Cb -0.22 -3.79 0.26 0.00 1.11 0.00 0.00 32.58 29.94 2jn6 s HIS 84 CO 0.27 -2.48 1.07 -1.25 -0.85 0.00 0.00 174.74 171.50 2jn6 s PRO 85 N -0.80 -0.78 -0.61 8.40 0.04 -1.26 -5.00 135.00 134.99 2jn6 s PRO 85 Ca 0.56 0.27 -0.05 0.00 0.04 0.00 0.00 61.00 61.83 2jn6 s PRO 85 Cb -0.41 -1.62 0.16 0.00 0.04 0.00 0.00 34.50 32.66 2jn6 s PRO 85 CO 0.47 -3.49 0.44 0.00 0.04 0.00 0.00 177.00 174.45 2jn6 s ALA 86 N -2.85 3.57 -0.13 8.56 0.00 -1.26 -4.88 121.76 124.76 2jn6 s ALA 86 Ca 0.68 -3.11 0.21 0.00 0.00 0.00 0.00 51.96 49.75 2jn6 s ALA 86 Cb -0.15 -2.74 0.47 0.00 0.00 0.00 0.00 23.12 20.70 2jn6 s ALA 86 CO 0.58 -2.06 1.63 1.05 0.00 0.00 0.00 175.76 176.96 2jn6 h GLU 87 N 7.38 0.00 -0.00 0.00 4.11 -2.05 -3.17 114.58 120.85 2jn6 h GLU 87 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2jn6 h GLU 87 Cb 0.99 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2jn6 h GLU 87 CO 0.73 0.25 0.00 0.77 0.07 0.00 0.00 179.01 180.84 2jn6 h SER 88 N 0.00 0.00 0.05 3.06 0.02 -2.03 -2.60 113.55 112.05 2jn6 h SER 88 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2jn6 h SER 88 Cb 1.04 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 2jn6 h SER 88 CO 0.03 0.00 -0.02 0.00 -1.14 0.00 0.00 176.83 175.71 2jn6 h LEU 90 N 0.00 0.00 0.00 0.00 8.10 -1.72 -2.65 115.31 119.04 2jn6 h LEU 90 Ca -0.00 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.95 2jn6 h LEU 90 Cb 0.05 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.26 2jn6 h LEU 90 CO 0.00 0.00 -0.23 -0.08 -4.11 0.00 0.00 178.44 174.03 2jn6 h GLU 91 N 0.00 0.00 -0.78 0.17 4.22 -1.38 -3.34 114.58 113.48 2jn6 h GLU 91 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2jn6 h GLU 91 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2jn6 h GLU 91 CO 0.00 0.72 0.00 0.72 -2.18 0.00 0.00 179.01 178.27 2jn6 n HIS 92 N -4.62 0.55 -2.97 0.92 8.25 -1.19 -4.74 115.22 111.42 2jn6 n HIS 92 Ca -0.11 -0.20 -0.44 0.00 -0.26 0.00 0.00 57.72 56.71 2jn6 n HIS 92 Cb 0.39 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 2jn6 n HIS 92 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jn6 s HIS 93 N -1.54 3.16 0.18 4.41 5.65 -1.00 -4.99 115.29 121.16 2jn6 s HIS 93 Ca 0.15 -1.38 0.09 0.00 0.25 0.00 0.00 55.06 54.17 2jn6 s HIS 93 Cb 0.11 -4.22 -0.04 0.00 -1.18 0.00 0.00 32.58 27.25 2jn6 s HIS 93 CO 0.05 -1.44 -0.11 -1.58 -0.65 0.00 0.00 174.74 171.02 2jn6 s HIS 94 N 2.50 2.60 -0.18 3.88 2.46 -1.26 -5.03 115.29 120.25 2jn6 s HIS 94 Ca 0.29 -0.24 -0.31 0.00 0.47 0.00 0.00 55.06 55.27 2jn6 s HIS 94 Cb -0.07 -1.27 -0.09 0.00 -0.13 0.00 0.00 32.58 31.02 2jn6 s HIS 94 CO -0.07 0.51 2.10 1.58 -2.47 0.00 0.00 174.74 176.39 2jn6 n HIS 95 N 0.05 2.06 -3.62 3.88 -0.00 -1.26 -4.93 115.22 111.40 2jn6 n HIS 95 Ca -0.11 -0.05 -0.02 0.00 0.46 0.00 0.00 57.72 58.00 2jn6 n HIS 95 Cb 0.56 -2.68 -0.05 0.00 -0.12 0.00 0.00 29.99 27.69 2jn6 n HIS 95 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jn6 s HIS 96 N 6.50 -1.15 -2.95 1.57 5.04 -1.26 -5.32 115.29 117.72 2jn6 s HIS 96 Ca 0.99 2.08 0.24 0.00 -1.54 0.00 0.00 55.06 56.84 2jn6 s HIS 96 Cb -0.55 0.69 0.28 0.00 0.04 0.00 0.00 32.58 33.04 2jn6 s HIS 96 CO 0.43 -0.57 1.31 -2.39 -2.34 0.00 0.00 174.74 171.19