#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jm7 n ASP 2 N 0.00 5.97 -4.57 6.12 8.00 -1.26 -4.94 116.55 125.87 1jm7 n ASP 2 Ca 0.00 -3.74 -0.14 0.00 0.71 0.00 0.00 54.79 51.62 1jm7 n ASP 2 Cb 0.00 -0.85 -0.09 0.00 -0.02 0.00 0.00 41.12 40.16 1jm7 n ASP 2 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1jm7 s LEU 3 N -3.62 2.68 -0.05 0.64 2.96 -1.26 -4.08 118.68 115.95 1jm7 s LEU 3 Ca 0.60 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.18 1jm7 s LEU 3 Cb 0.48 -2.57 0.06 0.00 0.50 0.00 0.00 46.19 44.67 1jm7 s LEU 3 CO 0.03 -4.19 0.58 -0.24 -1.32 0.00 0.00 176.35 171.21 1jm7 n SER 4 N 18.97 -0.28 0.00 3.68 2.88 -1.26 -4.49 113.62 133.12 1jm7 n SER 4 Ca 0.45 -1.02 0.00 0.00 -1.33 0.00 0.00 58.87 56.96 1jm7 n SER 4 Cb 0.45 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1jm7 n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jm7 n ALA 5 N -0.24 0.00 -1.43 -1.46 0.00 -1.26 -5.00 120.51 111.13 1jm7 n ALA 5 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.04 1jm7 n ALA 5 Cb 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 1jm7 n ALA 5 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1jm7 n LEU 6 N -0.89 3.03 -2.92 0.00 -0.00 -1.26 -4.13 117.00 110.83 1jm7 n LEU 6 Ca 0.00 -2.76 -0.06 0.00 -0.00 0.00 0.00 56.01 53.19 1jm7 n LEU 6 Cb 0.00 -1.31 0.01 0.00 -0.00 0.00 0.00 43.42 42.12 1jm7 n LEU 6 CO 0.00 -1.43 0.14 -1.14 -0.00 0.00 0.00 177.39 174.96 1jm7 n ARG 7 N 7.71 -2.05 0.00 1.47 0.63 -1.26 -5.00 116.66 118.16 1jm7 n ARG 7 Ca 0.47 1.92 0.00 0.00 -0.92 0.00 0.00 57.85 59.32 1jm7 n ARG 7 Cb 0.43 -5.69 0.00 0.00 0.45 0.00 0.00 32.46 27.65 1jm7 n ARG 7 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1jm7 n VAL 8 N -0.77 0.00 0.15 5.15 0.31 -1.26 -4.63 118.33 117.27 1jm7 n VAL 8 Ca 0.08 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.44 1jm7 n VAL 8 Cb 0.47 -0.71 0.40 0.00 -0.91 0.00 0.00 33.84 33.10 1jm7 n VAL 8 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1jm7 h GLU 9 N 0.00 0.16 -0.12 5.55 9.09 -1.94 -2.82 114.58 124.49 1jm7 h GLU 9 Ca 0.00 -0.04 -0.01 0.00 0.05 0.00 0.00 59.36 59.36 1jm7 h GLU 9 Cb 0.89 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 27.97 1jm7 h GLU 9 CO 0.00 0.35 0.03 0.93 0.05 0.00 0.00 179.01 180.36 1jm7 h GLU 10 N 0.15 0.20 -0.27 1.06 4.39 -1.99 -2.80 114.58 115.32 1jm7 h GLU 10 Ca 0.03 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.69 1jm7 h GLU 10 Cb 0.42 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1jm7 h GLU 10 CO 0.03 0.37 0.18 0.28 -1.16 0.00 0.00 179.01 178.71 1jm7 h VAL 11 N -0.01 1.05 -0.21 3.13 2.07 -1.77 -2.38 116.25 118.12 1jm7 h VAL 11 Ca 0.04 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1jm7 h VAL 11 Cb 0.27 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1jm7 h VAL 11 CO 0.00 0.06 0.14 -0.61 0.02 0.00 0.00 177.57 177.18 1jm7 h GLN 12 N 0.34 0.27 -0.17 1.57 -0.00 -1.26 -0.89 115.11 114.98 1jm7 h GLN 12 Ca 0.10 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.73 1jm7 h GLN 12 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.41 1jm7 h GLN 12 CO -0.02 0.18 0.09 -0.91 0.00 0.00 0.00 178.83 178.16 1jm7 h ASN 13 N 0.28 0.20 0.40 -0.69 4.21 -1.31 0.02 115.58 118.69 1jm7 h ASN 13 Ca 0.08 -0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.56 1jm7 h ASN 13 Cb -0.02 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.13 1jm7 h ASN 13 CO -0.02 0.17 -0.19 0.58 -1.29 0.00 0.00 177.43 176.68 1jm7 h VAL 14 N 0.23 0.23 -0.26 2.81 2.07 -1.19 -1.16 116.25 118.97 1jm7 h VAL 14 Ca 0.06 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 66.97 1jm7 h VAL 14 Cb 0.02 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1jm7 h VAL 14 CO -0.01 0.05 0.18 0.40 0.02 0.00 0.00 177.57 178.21 1jm7 h ILE 15 N -1.07 0.97 -0.04 4.57 2.04 -1.06 -1.23 117.51 121.68 1jm7 h ILE 15 Ca -0.05 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1jm7 h ILE 15 Cb 0.49 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1jm7 h ILE 15 CO 0.09 0.03 -0.08 -1.13 0.00 0.00 0.00 178.15 177.06 1jm7 h ASN 16 N 0.18 0.14 -0.37 1.72 -0.00 -1.01 -2.98 115.58 113.26 1jm7 h ASN 16 Ca 0.11 -0.57 0.00 0.00 -0.00 0.00 0.00 56.30 55.84 1jm7 h ASN 16 Cb 0.23 -0.04 -0.02 0.00 -0.00 0.00 0.00 38.32 38.49 1jm7 h ASN 16 CO -0.02 0.69 0.24 0.00 -0.00 0.00 0.00 177.43 178.34 1jm7 h ALA 17 N 0.46 1.71 -0.65 1.57 0.00 -0.68 -2.09 119.26 119.58 1jm7 h ALA 17 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1jm7 h ALA 17 Cb 0.67 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1jm7 h ALA 17 CO 0.02 0.27 0.28 1.98 0.00 0.00 0.00 179.25 181.79 1jm7 h MET 18 N 0.52 0.96 -0.98 0.00 4.05 -1.22 -2.65 114.93 115.61 1jm7 h MET 18 Ca 0.14 -0.16 0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1jm7 h MET 18 Cb -0.04 -0.16 -0.05 0.00 -0.80 0.00 0.00 31.60 30.55 1jm7 h MET 18 CO -0.03 0.79 0.65 0.37 0.23 0.00 0.00 176.91 178.92 1jm7 h GLN 19 N 0.91 1.28 -0.29 0.39 4.15 -1.22 -1.47 115.11 118.86 1jm7 h GLN 19 Ca 0.22 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.57 1jm7 h GLN 19 Cb 0.17 -0.29 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1jm7 h GLN 19 CO -0.02 0.85 0.19 0.87 -1.93 0.00 0.00 178.83 178.79 1jm7 h LYS 20 N 1.32 0.35 -0.11 1.69 1.57 -1.29 -0.65 116.57 119.45 1jm7 h LYS 20 Ca 0.36 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 59.03 1jm7 h LYS 20 Cb -0.14 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 1jm7 h LYS 20 CO -0.08 0.23 -0.33 0.82 -0.57 0.00 0.00 179.45 179.52 1jm7 h ILE 21 N 0.36 1.27 -0.64 1.86 2.04 -1.08 -2.74 117.51 118.58 1jm7 h ILE 21 Ca 0.11 -1.30 -0.33 0.00 1.00 0.00 0.00 64.86 64.34 1jm7 h ILE 21 Cb 0.01 1.56 -0.20 0.00 -0.74 0.00 0.00 36.82 37.45 1jm7 h ILE 21 CO -0.02 0.39 0.23 0.18 0.00 0.00 0.00 178.15 178.92 1jm7 n LEU 22 N -4.10 5.29 0.00 1.44 7.99 -0.35 -4.99 117.00 122.28 1jm7 n LEU 22 Ca -0.01 -3.74 0.00 0.00 -0.01 0.00 0.00 56.01 52.25 1jm7 n LEU 22 Cb 0.41 -0.73 0.00 0.00 -0.11 0.00 0.00 43.42 43.00 1jm7 n LEU 22 CO 0.40 1.20 0.00 1.21 -1.51 0.00 0.00 177.39 178.69 1jm7 n GLU 23 N -1.13 0.98 -4.79 3.23 2.13 -0.63 -3.98 120.64 116.46 1jm7 n GLU 23 Ca 0.45 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.94 1jm7 n GLU 23 Cb 1.30 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.88 1jm7 n GLU 23 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jm7 n PRO 25 N 2.44 3.06 0.00 0.00 -0.04 -1.26 -3.37 135.00 135.83 1jm7 n PRO 25 Ca -0.17 -1.99 0.00 0.00 -0.04 0.00 0.00 63.50 61.30 1jm7 n PRO 25 Cb 0.52 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 1jm7 n PRO 25 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1jm7 n ILE 26 N 0.63 0.00 -0.41 0.52 -6.64 -1.26 -4.85 119.36 107.34 1jm7 n ILE 26 Ca 0.18 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.16 1jm7 n ILE 26 Cb 0.71 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.91 1jm7 n ILE 26 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1jm7 n LEU 28 N -0.27 -1.06 -4.59 0.00 7.99 -1.22 -4.91 117.00 112.94 1jm7 n LEU 28 Ca 0.00 0.22 -0.40 0.00 -0.01 0.00 0.00 56.01 55.82 1jm7 n LEU 28 Cb 0.33 -2.06 -0.09 0.00 -0.11 0.00 0.00 43.42 41.49 1jm7 n LEU 28 CO 0.00 -0.17 0.05 -1.61 -1.51 0.00 0.00 177.39 174.15 1jm7 s GLU 29 N -4.83 3.89 -0.96 3.23 0.41 -1.26 -4.61 118.70 114.56 1jm7 s GLU 29 Ca 0.00 -0.10 -0.26 0.00 -0.41 0.00 0.00 54.97 54.20 1jm7 s GLU 29 Cb 0.00 -3.70 -0.23 0.00 -1.78 0.00 0.00 34.13 28.42 1jm7 s GLU 29 CO 0.00 -0.35 2.49 -0.11 -0.49 0.00 0.00 175.26 176.80 1jm7 n LEU 30 N 5.35 -0.03 -4.54 1.80 7.94 -1.26 -4.15 117.00 122.12 1jm7 n LEU 30 Ca -0.09 0.05 -0.51 0.00 -1.11 0.00 0.00 56.01 54.35 1jm7 n LEU 30 Cb 0.50 -0.81 -0.06 0.00 0.53 0.00 0.00 43.42 43.58 1jm7 n LEU 30 CO 0.38 -0.81 1.68 2.30 -1.11 0.00 0.00 177.39 179.83 1jm7 n ILE 31 N 6.83 0.29 -0.02 1.96 -6.64 -1.26 -4.84 119.36 115.68 1jm7 n ILE 31 Ca 0.63 -0.22 -0.22 0.00 -1.77 0.00 0.00 62.75 61.18 1jm7 n ILE 31 Cb 0.05 -1.69 -0.13 0.00 -1.44 0.00 0.00 39.64 36.42 1jm7 n ILE 31 CO 0.00 0.00 0.00 0.11 -1.77 0.00 0.00 176.55 174.89 1jm7 h LYS 32 N 11.29 0.19 -3.82 6.28 1.79 -1.90 -3.43 116.57 126.98 1jm7 h LYS 32 Ca -0.35 -0.33 -0.78 0.00 -2.18 0.00 0.00 60.65 57.02 1jm7 h LYS 32 Cb 1.31 0.12 -0.27 0.00 -1.58 0.00 0.00 32.23 31.81 1jm7 h LYS 32 CO 0.99 1.16 0.01 -1.21 -1.08 0.00 0.00 179.45 179.33 1jm7 s GLU 33 N -2.49 3.43 -0.17 3.15 2.02 -1.26 -4.90 118.70 118.46 1jm7 s GLU 33 Ca -0.24 -2.42 -0.29 0.00 0.02 0.00 0.00 54.97 52.05 1jm7 s GLU 33 Cb 0.06 -4.33 -0.05 0.00 0.10 0.00 0.00 34.13 29.91 1jm7 s GLU 33 CO 0.72 -1.28 2.02 -1.25 0.02 0.00 0.00 175.26 175.49 1jm7 s PRO 34 N 0.24 3.48 0.18 0.39 0.04 -1.26 -3.94 135.00 134.14 1jm7 s PRO 34 Ca 0.17 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.31 1jm7 s PRO 34 Cb -0.13 -4.25 -0.04 0.00 0.04 0.00 0.00 34.50 30.11 1jm7 s PRO 34 CO -0.07 -1.69 -0.14 0.54 0.04 0.00 0.00 177.00 175.67 1jm7 s VAL 35 N 6.79 1.62 -0.17 -0.36 0.11 -1.20 -2.16 120.40 125.03 1jm7 s VAL 35 Ca 0.91 -2.11 -0.03 0.00 -2.93 0.00 0.00 61.98 57.81 1jm7 s VAL 35 Cb -0.33 -1.94 -0.02 0.00 -1.53 0.00 0.00 36.38 32.56 1jm7 s VAL 35 CO 0.35 -0.58 -0.05 -0.94 -3.33 0.00 0.00 175.10 170.56 1jm7 s SER 36 N -3.15 4.57 0.35 3.54 1.04 -1.05 -2.79 113.70 116.22 1jm7 s SER 36 Ca 0.20 -0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.38 1jm7 s SER 36 Cb -0.01 -1.75 -0.04 0.00 0.10 0.00 0.00 66.02 64.32 1jm7 s SER 36 CO 0.05 0.13 0.59 0.42 0.98 0.00 0.00 173.24 175.42 1jm7 s THR 37 N 0.61 5.04 0.63 2.02 -4.23 0.29 -3.29 115.64 116.70 1jm7 s THR 37 Ca -0.03 -0.16 0.28 0.00 -1.18 0.00 0.00 61.69 60.60 1jm7 s THR 37 Cb -0.15 -3.82 0.33 0.00 1.34 0.00 0.00 72.50 70.21 1jm7 s THR 37 CO 0.03 -0.53 1.88 0.50 -0.54 0.00 0.00 174.62 175.96 1jm7 h LYS 38 N 0.99 0.00 -0.87 3.99 1.63 -1.90 0.29 116.57 120.70 1jm7 h LYS 38 Ca -0.48 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.19 1jm7 h LYS 38 Cb 1.21 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.76 1jm7 h LYS 38 CO 0.63 0.00 0.15 0.00 -3.45 0.00 0.00 179.45 176.78 1jm7 n ASP 40 N 0.03 -4.84 -4.49 0.00 2.03 0.10 -4.98 116.55 104.40 1jm7 n ASP 40 Ca 0.23 -0.73 -0.31 0.00 0.52 0.00 0.00 54.79 54.49 1jm7 n ASP 40 Cb 0.94 -4.13 -0.07 0.00 -0.72 0.00 0.00 41.12 37.13 1jm7 n ASP 40 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1jm7 n HIS 41 N -4.72 0.90 -4.59 -0.67 8.25 -1.21 -4.90 115.22 108.27 1jm7 n HIS 41 Ca 0.01 -2.57 -0.29 0.00 -0.26 0.00 0.00 57.72 54.61 1jm7 n HIS 41 Cb 0.54 -0.25 -0.14 0.00 1.12 0.00 0.00 29.99 31.27 1jm7 n HIS 41 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1jm7 s ILE 42 N -2.93 2.14 0.27 1.59 -1.09 -1.26 -0.55 121.20 119.37 1jm7 s ILE 42 Ca 0.06 -1.57 0.00 0.00 -2.23 0.00 0.00 60.65 56.91 1jm7 s ILE 42 Cb 0.00 -1.87 -0.00 0.00 -1.58 0.00 0.00 42.46 39.01 1jm7 s ILE 42 CO 0.04 0.19 0.34 0.49 -1.23 0.00 0.00 174.94 174.77 1jm7 n PHE 43 N 1.31 -1.07 -1.07 3.97 3.01 -1.12 -4.68 117.46 117.81 1jm7 n PHE 43 Ca -0.18 -1.90 -0.08 0.00 1.01 0.00 0.00 57.45 56.30 1jm7 n PHE 43 Cb 0.53 0.38 0.30 0.00 -0.01 0.00 0.00 39.48 40.67 1jm7 n PHE 43 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jm7 n LYS 45 N -0.24 0.00 0.20 0.00 3.00 -1.25 -4.07 118.16 115.80 1jm7 n LYS 45 Ca 0.44 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.86 1jm7 n LYS 45 Cb 1.44 0.00 0.66 0.00 0.00 0.00 0.00 35.03 37.12 1jm7 n LYS 45 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 1jm7 h PHE 46 N 0.00 0.00 -0.54 5.64 3.57 -1.93 -1.25 116.94 122.44 1jm7 h PHE 46 Ca 0.00 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1jm7 h PHE 46 Cb 0.00 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1jm7 h PHE 46 CO 0.00 0.00 0.36 0.00 -2.23 0.00 0.00 178.31 176.44 1jm7 h MET 48 N 0.48 0.99 0.39 0.00 2.86 -1.57 -1.27 114.93 116.81 1jm7 h MET 48 Ca 0.24 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 1jm7 h MET 48 Cb 0.32 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1jm7 h MET 48 CO -0.06 1.06 -0.19 -0.07 1.06 0.00 0.00 176.91 178.71 1jm7 h LEU 49 N 0.87 -0.45 -0.48 1.22 4.07 -1.30 0.83 115.31 120.07 1jm7 h LEU 49 Ca 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.09 1jm7 h LEU 49 Cb 0.71 0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.54 1jm7 h LEU 49 CO 0.05 -0.30 0.29 0.11 -1.08 0.00 0.00 178.44 177.51 1jm7 h LYS 50 N -0.55 0.66 -0.07 1.13 6.56 -1.47 0.23 116.57 123.05 1jm7 h LYS 50 Ca -0.05 -0.06 -0.10 0.00 -1.06 0.00 0.00 60.65 59.37 1jm7 h LYS 50 Cb 0.42 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 31.93 1jm7 h LYS 50 CO 0.09 0.49 -0.41 1.25 -2.06 0.00 0.00 179.45 178.80 1jm7 h LEU 51 N 0.64 0.16 -0.01 2.94 6.46 -1.11 -1.09 115.31 123.30 1jm7 h LEU 51 Ca 0.17 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1jm7 h LEU 51 Cb 0.00 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 39.89 1jm7 h LEU 51 CO -0.03 0.56 -0.05 -0.07 -0.62 0.00 0.00 178.44 178.22 1jm7 h LEU 52 N 0.13 0.06 -0.73 2.25 3.38 0.12 -3.30 115.31 117.22 1jm7 h LEU 52 Ca 0.01 -0.69 -0.04 0.00 0.09 0.00 0.00 57.88 57.26 1jm7 h LEU 52 Cb 0.79 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1jm7 h LEU 52 CO 0.06 0.74 0.32 0.78 0.09 0.00 0.00 178.44 180.42 1jm7 h ASN 53 N -0.61 0.99 -4.08 -0.43 4.21 -0.55 -3.41 115.58 111.70 1jm7 h ASN 53 Ca -0.00 -0.16 -0.56 0.00 1.21 0.00 0.00 56.30 56.79 1jm7 h ASN 53 Cb 0.74 -0.26 0.15 0.00 -1.12 0.00 0.00 38.32 37.83 1jm7 h ASN 53 CO 0.01 0.88 0.56 -1.58 -1.29 0.00 0.00 177.43 176.01 1jm7 s GLN 54 N -5.61 2.81 0.57 0.81 2.00 -0.42 -4.73 119.66 115.10 1jm7 s GLN 54 Ca -0.13 2.16 0.00 0.00 -2.00 0.00 0.00 55.36 55.39 1jm7 s GLN 54 Cb 0.15 -2.03 0.00 0.00 0.80 0.00 0.00 33.01 31.92 1jm7 s GLN 54 CO 0.82 -1.42 0.00 1.17 -0.50 0.00 0.00 175.29 175.36 1jm7 n LYS 55 N -1.51 -3.63 -2.54 1.67 0.00 -1.26 -4.66 118.16 106.23 1jm7 n LYS 55 Ca 0.13 2.87 -0.42 0.00 0.00 0.00 0.00 58.31 60.89 1jm7 n LYS 55 Cb 0.47 -3.75 -0.02 0.00 0.00 0.00 0.00 35.03 31.72 1jm7 n LYS 55 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1jm7 s LYS 56 N -4.95 3.52 0.00 1.64 3.01 -1.26 -4.83 119.74 116.86 1jm7 s LYS 56 Ca 0.00 0.37 0.00 0.00 -1.01 0.00 0.00 55.97 55.33 1jm7 s LYS 56 Cb 0.00 -4.02 0.00 0.00 -1.01 0.00 0.00 37.83 32.80 1jm7 s LYS 56 CO 0.00 -1.67 0.00 0.41 0.51 0.00 0.00 175.35 174.60 1jm7 n GLY 57 N 5.06 -0.01 3.07 -3.33 0.00 -1.26 -5.08 105.19 103.64 1jm7 n GLY 57 Ca 0.10 -2.29 -0.21 0.00 0.00 0.00 0.00 46.02 43.61 1jm7 n GLY 57 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jm7 n PRO 58 N -0.75 -2.16 -2.86 1.61 -0.02 -1.26 -4.81 135.00 124.74 1jm7 n PRO 58 Ca 0.00 -0.64 -0.27 0.00 -2.02 0.00 0.00 63.50 60.57 1jm7 n PRO 58 Cb 0.00 -1.51 -0.01 0.00 -0.02 0.00 0.00 33.50 31.96 1jm7 n PRO 58 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1jm7 s SER 59 N -1.95 6.31 -0.26 2.55 1.04 0.36 -4.88 113.70 116.86 1jm7 s SER 59 Ca 0.40 0.84 -0.02 0.00 0.48 0.00 0.00 55.95 57.65 1jm7 s SER 59 Cb -0.07 -2.20 0.03 0.00 0.10 0.00 0.00 66.02 63.88 1jm7 s SER 59 CO 0.41 -0.47 -0.03 -1.10 0.98 0.00 0.00 173.24 173.02 1jm7 s GLN 60 N -4.46 2.79 -0.30 4.02 -0.21 -1.26 0.11 119.66 120.35 1jm7 s GLN 60 Ca 0.46 -1.01 -0.31 0.00 0.02 0.00 0.00 55.36 54.52 1jm7 s GLN 60 Cb -0.10 -3.06 -0.08 0.00 1.00 0.00 0.00 33.01 30.77 1jm7 s GLN 60 CO 0.40 -0.44 2.23 0.00 -2.12 0.00 0.00 175.29 175.36 1jm7 n PRO 62 N 8.56 0.12 0.05 0.00 -0.04 -1.26 0.12 135.00 142.54 1jm7 n PRO 62 Ca 0.35 0.18 -0.05 0.00 -0.04 0.00 0.00 63.50 63.94 1jm7 n PRO 62 Cb 0.36 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.23 1jm7 n PRO 62 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1jm7 h LEU 63 N 0.00 0.00 -2.21 1.53 4.07 -1.89 -3.39 115.31 113.42 1jm7 h LEU 63 Ca 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.88 1jm7 h LEU 63 Cb 0.22 0.00 -0.16 0.00 1.08 0.00 0.00 40.66 41.80 1jm7 h LEU 63 CO 0.00 0.85 -0.59 0.00 -1.08 0.00 0.00 178.44 177.62 1jm7 n LYS 65 N 0.18 -2.03 0.00 0.00 5.02 0.32 -4.93 118.16 116.72 1jm7 n LYS 65 Ca -0.02 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1jm7 n LYS 65 Cb 0.83 -5.04 0.00 0.00 -0.02 0.00 0.00 35.03 30.80 1jm7 n LYS 65 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1jm7 n ASN 66 N -1.36 -0.05 -3.70 4.39 2.85 -0.70 -4.71 115.26 111.99 1jm7 n ASN 66 Ca -0.12 -0.77 -0.28 0.00 -0.11 0.00 0.00 54.58 53.30 1jm7 n ASN 66 Cb 0.53 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.39 1jm7 n ASN 66 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1jm7 s ASP 67 N -1.03 2.99 0.28 1.20 -1.08 -1.26 -0.42 116.67 117.35 1jm7 s ASP 67 Ca 0.00 -0.92 0.00 0.00 -0.52 0.00 0.00 52.55 51.11 1jm7 s ASP 67 Cb 0.00 -0.54 -0.04 0.00 -1.46 0.00 0.00 42.92 40.88 1jm7 s ASP 67 CO 0.00 -0.34 0.48 -0.63 0.52 0.00 0.00 175.17 175.20 1jm7 s ILE 68 N 1.90 5.15 0.02 4.11 1.09 0.29 -4.87 121.20 128.89 1jm7 s ILE 68 Ca 0.02 -0.45 0.02 0.00 -1.10 0.00 0.00 60.65 59.13 1jm7 s ILE 68 Cb -0.17 -3.81 -0.01 0.00 -1.06 0.00 0.00 42.46 37.41 1jm7 s ILE 68 CO -0.13 -0.39 -0.06 0.42 -0.10 0.00 0.00 174.94 174.68 1jm7 s THR 69 N -2.12 0.43 -1.07 2.92 -4.23 -1.26 -0.49 115.64 109.83 1jm7 s THR 69 Ca 0.39 -0.68 -0.24 0.00 -1.18 0.00 0.00 61.69 59.98 1jm7 s THR 69 Cb -0.10 -0.45 -0.10 0.00 1.34 0.00 0.00 72.50 73.18 1jm7 s THR 69 CO 0.32 -0.18 2.00 -1.59 -0.54 0.00 0.00 174.62 174.64 1jm7 s LYS 70 N -0.93 2.25 0.00 3.99 0.00 -1.26 -2.89 119.74 120.91 1jm7 s LYS 70 Ca -0.05 -0.71 0.00 0.00 0.00 0.00 0.00 55.97 55.21 1jm7 s LYS 70 Cb -0.06 -5.12 0.00 0.00 0.00 0.00 0.00 37.83 32.64 1jm7 s LYS 70 CO 0.00 -4.08 0.00 -2.13 0.00 0.00 0.00 175.35 169.14 1jm7 n ARG 71 N 8.46 0.00 -1.13 1.78 3.00 -1.26 -4.97 116.66 122.53 1jm7 n ARG 71 Ca 0.43 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 58.02 1jm7 n ARG 71 Cb 0.46 0.00 0.09 0.00 0.00 0.00 0.00 32.46 33.01 1jm7 n ARG 71 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1jm7 n SER 72 N -0.38 6.34 -4.20 6.15 7.64 -1.14 -4.86 113.62 123.17 1jm7 n SER 72 Ca 0.00 -3.48 -0.35 0.00 1.01 0.00 0.00 58.87 56.05 1jm7 n SER 72 Cb 0.00 -0.95 -0.13 0.00 -1.01 0.00 0.00 64.21 62.12 1jm7 n SER 72 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1jm7 s LEU 73 N -3.01 3.87 -0.24 -3.43 2.01 -1.26 -3.66 118.68 112.95 1jm7 s LEU 73 Ca 0.51 -1.16 0.02 0.00 0.01 0.00 0.00 54.13 53.51 1jm7 s LEU 73 Cb 0.41 -1.74 0.04 0.00 0.01 0.00 0.00 46.19 44.91 1jm7 s LEU 73 CO 0.02 -0.25 -0.12 0.00 1.01 0.00 0.00 176.35 177.01 1jm7 s GLN 74 N 1.30 2.54 -0.50 1.70 -2.07 -1.21 -4.98 119.66 116.45 1jm7 s GLN 74 Ca -0.03 -1.15 -0.26 0.00 -1.82 0.00 0.00 55.36 52.09 1jm7 s GLN 74 Cb -0.19 -2.83 -0.05 0.00 -1.09 0.00 0.00 33.01 28.84 1jm7 s GLN 74 CO -0.01 -0.45 2.23 -1.21 -1.32 0.00 0.00 175.29 174.54 1jm7 s GLU 75 N 1.19 2.35 -0.22 9.60 2.02 -1.26 -2.52 118.70 129.87 1jm7 s GLU 75 Ca -0.04 1.25 -0.15 0.00 0.02 0.00 0.00 54.97 56.06 1jm7 s GLU 75 Cb -0.18 -4.50 -0.04 0.00 0.10 0.00 0.00 34.13 29.51 1jm7 s GLU 75 CO -0.07 -3.00 0.35 -1.12 0.02 0.00 0.00 175.26 171.44 1jm7 s SER 76 N 10.63 6.36 -1.28 -0.19 0.01 -0.92 -4.94 113.70 123.37 1jm7 s SER 76 Ca 0.89 0.42 -0.08 0.00 1.31 0.00 0.00 55.95 58.49 1jm7 s SER 76 Cb -0.17 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 1jm7 s SER 76 CO 0.26 -0.06 2.86 0.41 0.41 0.00 0.00 173.24 177.12 1jm7 n THR 77 N 4.41 4.38 -0.04 1.44 -1.04 -1.26 -4.10 114.28 118.06 1jm7 n THR 77 Ca -0.10 -2.99 -0.04 0.00 -2.04 0.00 0.00 64.05 58.88 1jm7 n THR 77 Cb 0.51 -2.32 -0.06 0.00 -1.82 0.00 0.00 70.33 66.63 1jm7 n THR 77 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1jm7 n ARG 78 N 2.74 2.52 -0.96 -2.82 1.85 -1.26 -4.59 116.66 114.14 1jm7 n ARG 78 Ca 0.68 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 57.42 1jm7 n ARG 78 Cb 0.33 -1.21 0.21 0.00 -1.05 0.00 0.00 32.46 30.74 1jm7 n ARG 78 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1jm7 n PHE 79 N -2.33 1.94 -0.05 2.89 3.01 -1.26 -4.62 117.46 117.04 1jm7 n PHE 79 Ca -0.14 -1.61 -0.03 0.00 1.01 0.00 0.00 57.45 56.68 1jm7 n PHE 79 Cb 0.76 -0.67 -0.01 0.00 -0.01 0.00 0.00 39.48 39.55 1jm7 n PHE 79 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1jm7 h SER 80 N 1.22 0.00 -0.30 4.37 0.87 -1.85 -3.31 113.55 114.55 1jm7 h SER 80 Ca 0.37 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.98 1jm7 h SER 80 Cb 2.16 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.11 1jm7 h SER 80 CO 0.68 0.55 0.20 1.56 -0.53 0.00 0.00 176.83 179.29 1jm7 h GLN 81 N -0.75 0.15 0.66 2.24 1.08 -1.89 -2.01 115.11 114.58 1jm7 h GLN 81 Ca 0.00 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1jm7 h GLN 81 Cb 0.35 -0.03 0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1jm7 h GLN 81 CO 0.00 0.10 -0.32 -0.07 -0.95 0.00 0.00 178.83 177.59 1jm7 h LEU 82 N 0.15 -0.75 0.17 1.46 3.38 -1.82 0.81 115.31 118.71 1jm7 h LEU 82 Ca 0.13 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1jm7 h LEU 82 Cb 0.34 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1jm7 h LEU 82 CO -0.02 -0.54 -0.11 0.58 0.09 0.00 0.00 178.44 178.45 1jm7 h VAL 83 N -0.89 0.77 -0.53 1.22 2.07 -1.55 -2.22 116.25 115.13 1jm7 h VAL 83 Ca -0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1jm7 h VAL 83 Cb 0.68 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1jm7 h VAL 83 CO 0.15 0.00 0.30 -0.33 0.02 0.00 0.00 177.57 177.70 1jm7 h GLU 84 N -0.27 0.72 -0.71 1.57 4.39 -1.35 -2.25 114.58 116.67 1jm7 h GLU 84 Ca -0.01 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.65 1jm7 h GLU 84 Cb 0.23 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.68 1jm7 h GLU 84 CO 0.01 0.52 0.44 0.93 -1.16 0.00 0.00 179.01 179.76 1jm7 h GLU 85 N 0.73 0.84 -0.65 2.33 4.39 0.11 -2.15 114.58 120.18 1jm7 h GLU 85 Ca 0.19 -0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.89 1jm7 h GLU 85 Cb 0.01 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 28.42 1jm7 h GLU 85 CO -0.03 0.55 0.37 -0.07 -1.16 0.00 0.00 179.01 178.67 1jm7 h LEU 86 N 0.86 0.58 -1.99 1.33 -0.00 -0.82 0.20 115.31 115.46 1jm7 h LEU 86 Ca 0.29 0.02 0.06 0.00 -0.00 0.00 0.00 57.88 58.25 1jm7 h LEU 86 Cb 0.04 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.59 1jm7 h LEU 86 CO -0.12 0.38 0.16 -0.07 -0.00 0.00 0.00 178.44 178.80 1jm7 h LEU 87 N 0.71 0.01 0.12 1.67 -0.00 -1.30 0.21 115.31 116.73 1jm7 h LEU 87 Ca 0.28 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.92 1jm7 h LEU 87 Cb 0.12 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1jm7 h LEU 87 CO -0.15 0.01 -1.20 0.11 -0.00 0.00 0.00 178.44 177.21 1jm7 h LYS 88 N 0.01 0.25 -0.68 1.13 1.57 -0.85 -2.80 116.57 115.22 1jm7 h LYS 88 Ca 0.11 -0.43 -0.04 0.00 -1.87 0.00 0.00 60.65 58.41 1jm7 h LYS 88 Cb 0.41 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1jm7 h LYS 88 CO -0.00 1.21 0.25 0.82 -0.57 0.00 0.00 179.45 181.15 1jm7 h ILE 89 N -0.35 1.24 -0.18 1.86 2.04 -0.16 -1.73 117.51 120.22 1jm7 h ILE 89 Ca -0.25 -0.78 -0.20 0.00 1.00 0.00 0.00 64.86 64.63 1jm7 h ILE 89 Cb 1.70 0.45 0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1jm7 h ILE 89 CO 0.08 0.31 -0.68 0.40 0.00 0.00 0.00 178.15 178.26 1jm7 h ILE 90 N 0.98 1.29 -0.73 -0.67 2.04 -0.74 -2.98 117.51 116.70 1jm7 h ILE 90 Ca 0.23 -1.88 -0.00 0.00 1.00 0.00 0.00 64.86 64.20 1jm7 h ILE 90 Cb 0.22 1.91 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 1jm7 h ILE 90 CO -0.02 0.60 0.45 0.00 0.00 0.00 0.00 178.15 179.19 1jm7 h ALA 92 N 1.24 1.19 0.15 0.00 0.00 -1.34 0.15 119.26 120.66 1jm7 h ALA 92 Ca 0.26 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1jm7 h ALA 92 Cb -0.06 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 1jm7 h ALA 92 CO -0.05 0.63 -0.10 0.35 0.00 0.00 0.00 179.25 180.08 1jm7 h PHE 93 N 1.14 -0.25 -0.00 0.00 3.57 -1.28 -2.48 116.94 117.65 1jm7 h PHE 93 Ca 0.28 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.69 1jm7 h PHE 93 Cb 0.09 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1jm7 h PHE 93 CO 0.01 -0.15 -0.39 1.96 -2.23 0.00 0.00 178.31 177.51 1jm7 h GLN 94 N -0.24 0.00 -0.24 1.11 4.20 -1.30 0.32 115.11 118.96 1jm7 h GLN 94 Ca -0.01 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1jm7 h GLN 94 Cb 0.20 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1jm7 h GLN 94 CO 0.01 0.40 0.16 -0.07 -0.67 0.00 0.00 178.83 178.66 1jm7 h LEU 95 N 0.00 0.19 0.00 1.46 3.38 -0.52 -1.25 115.31 118.57 1jm7 h LEU 95 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jm7 h LEU 95 Cb 0.70 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1jm7 h LEU 95 CO 0.05 0.13 -0.09 0.47 0.09 0.00 0.00 178.44 179.09 1jm7 n ASP 96 N -4.50 0.29 -0.36 -0.43 9.92 -1.02 -4.75 116.55 115.69 1jm7 n ASP 96 Ca 0.01 0.04 -0.02 0.00 -0.53 0.00 0.00 54.79 54.29 1jm7 n ASP 96 Cb 0.15 -0.30 0.10 0.00 -0.64 0.00 0.00 41.12 40.43 1jm7 n ASP 96 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1jm7 h THR 97 N -0.09 1.25 -1.95 -3.53 1.35 -0.54 -3.47 112.91 105.94 1jm7 h THR 97 Ca 0.00 -0.48 -0.31 0.00 -0.55 0.00 0.00 66.41 65.06 1jm7 h THR 97 Cb 0.09 -0.17 -0.04 0.00 -1.73 0.00 0.00 68.15 66.31 1jm7 h THR 97 CO 0.00 0.25 -0.38 0.61 -0.25 0.00 0.00 175.52 175.75 1jm7 n GLY 98 N -1.34 0.07 3.95 5.82 0.00 -0.47 -4.93 105.19 108.28 1jm7 n GLY 98 Ca 0.11 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 1jm7 n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jm7 s LEU 99 N -4.31 3.71 1.02 0.99 1.02 -1.26 -4.97 118.68 114.87 1jm7 s LEU 99 Ca 0.00 0.37 -0.12 0.00 0.02 0.00 0.00 54.13 54.40 1jm7 s LEU 99 Cb 0.00 -3.25 0.20 0.00 0.02 0.00 0.00 46.19 43.16 1jm7 s LEU 99 CO 0.00 -0.62 1.07 -1.61 0.02 0.00 0.00 176.35 175.21 1jm7 s GLU 100 N -4.53 0.22 0.03 1.70 2.02 -1.26 -4.68 118.70 112.20 1jm7 s GLU 100 Ca 0.47 0.87 0.00 0.00 0.02 0.00 0.00 54.97 56.33 1jm7 s GLU 100 Cb -0.10 -1.68 0.00 0.00 0.10 0.00 0.00 34.13 32.45 1jm7 s GLU 100 CO 0.38 -2.97 0.00 0.98 0.02 0.00 0.00 175.26 173.68 1jm7 n TYR 101 N -4.39 -0.15 -3.43 1.61 9.36 -1.26 -5.05 117.16 113.85 1jm7 n TYR 101 Ca 0.06 0.03 0.01 0.00 3.32 0.00 0.00 57.90 61.32 1jm7 n TYR 101 Cb 0.55 0.13 -0.05 0.00 -0.63 0.00 0.00 39.34 39.34 1jm7 n TYR 101 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1jm7 s ALA 102 N -2.00 -2.75 0.00 2.98 0.00 -1.26 -4.98 121.76 113.75 1jm7 s ALA 102 Ca 0.00 2.01 0.00 0.00 0.00 0.00 0.00 51.96 53.97 1jm7 s ALA 102 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1jm7 s ALA 102 CO 0.00 -0.75 0.00 -1.71 0.00 0.00 0.00 175.76 173.30