#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 4.22 -2.49 6.12 9.92 -1.23 -4.12 116.55 128.96 1jm7 n ASP 2 Ca 0.00 -3.52 -0.19 0.00 -0.53 0.00 0.00 54.79 50.54 1jm7 n ASP 2 Cb 0.00 -0.84 -0.00 0.00 -0.64 0.00 0.00 41.12 39.64 1jm7 n ASP 2 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1jm7 n LEU 3 N -1.00 -1.87 -1.17 0.64 7.94 -1.26 -0.73 117.00 119.55 1jm7 n LEU 3 Ca 0.56 -0.01 -0.15 0.00 -1.11 0.00 0.00 56.01 55.30 1jm7 n LEU 3 Cb 1.47 -2.79 -0.07 0.00 0.53 0.00 0.00 43.42 42.57 1jm7 n LEU 3 CO 0.59 -0.15 -0.14 -1.20 -1.11 0.00 0.00 177.39 175.38 1jm7 n SER 4 N -2.04 -5.43 -1.69 1.96 7.64 -1.26 -2.10 113.62 110.70 1jm7 n SER 4 Ca -0.21 0.38 -0.16 0.00 1.01 0.00 0.00 58.87 59.88 1jm7 n SER 4 Cb 0.66 -4.27 -0.06 0.00 -1.01 0.00 0.00 64.21 59.54 1jm7 n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jm7 n ALA 5 N 1.28 -0.35 -2.60 -0.43 0.00 0.09 -4.89 120.51 113.60 1jm7 n ALA 5 Ca -0.15 0.23 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 1jm7 n ALA 5 Cb 0.60 -1.71 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 1jm7 n ALA 5 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1jm7 s LEU 6 N -4.54 3.68 -0.81 0.00 0.05 -0.89 -3.99 118.68 112.18 1jm7 s LEU 6 Ca 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 54.13 54.16 1jm7 s LEU 6 Cb 0.00 -3.08 0.00 0.00 -2.05 0.00 0.00 46.19 41.06 1jm7 s LEU 6 CO 0.00 -1.37 0.00 -1.14 -0.55 0.00 0.00 176.35 173.29 1jm7 n ARG 7 N 8.06 -2.30 0.05 1.48 0.63 -1.26 -4.80 116.66 118.52 1jm7 n ARG 7 Ca 0.06 0.46 -0.08 0.00 -0.92 0.00 0.00 57.85 57.37 1jm7 n ARG 7 Cb 0.49 -4.99 -0.13 0.00 0.45 0.00 0.00 32.46 28.28 1jm7 n ARG 7 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1jm7 h VAL 8 N 0.00 1.51 -0.03 5.15 2.07 -1.91 -3.29 116.25 119.75 1jm7 h VAL 8 Ca -0.22 -3.23 -0.15 0.00 0.82 0.00 0.00 66.70 63.92 1jm7 h VAL 8 Cb 1.11 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 33.63 1jm7 h VAL 8 CO 0.26 0.87 -0.65 1.05 0.02 0.00 0.00 177.57 179.12 1jm7 h GLU 9 N 0.01 0.13 -0.55 1.57 9.09 -1.87 -3.17 114.58 119.79 1jm7 h GLU 9 Ca -0.08 -0.10 -0.05 0.00 0.05 0.00 0.00 59.36 59.18 1jm7 h GLU 9 Cb 1.84 0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 28.94 1jm7 h GLU 9 CO 0.13 0.74 0.16 0.93 0.05 0.00 0.00 179.01 181.01 1jm7 h GLU 10 N 0.09 0.87 -0.81 1.06 3.07 -1.95 -2.78 114.58 114.13 1jm7 h GLU 10 Ca -0.01 -0.20 -0.00 0.00 -0.50 0.00 0.00 59.36 58.65 1jm7 h GLU 10 Cb 1.17 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.92 1jm7 h GLU 10 CO 0.09 0.80 0.49 0.28 -1.40 0.00 0.00 179.01 179.28 1jm7 h VAL 11 N 0.78 1.22 -1.00 3.13 2.07 -1.61 -2.29 116.25 118.55 1jm7 h VAL 11 Ca 0.18 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.23 1jm7 h VAL 11 Cb 0.31 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 1jm7 h VAL 11 CO -0.00 0.23 0.66 -0.61 0.02 0.00 0.00 177.57 177.87 1jm7 h GLN 12 N 1.11 1.30 -0.91 1.57 -0.00 -1.47 -0.88 115.11 115.83 1jm7 h GLN 12 Ca 0.29 -0.08 0.01 0.00 -0.00 0.00 0.00 58.65 58.87 1jm7 h GLN 12 Cb -0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 27.48 27.09 1jm7 h GLN 12 CO -0.06 0.86 0.59 -0.97 0.00 0.00 0.00 178.83 179.26 1jm7 h ASN 13 N 1.34 1.06 -0.28 -0.69 -0.73 -1.26 0.13 115.58 115.15 1jm7 h ASN 13 Ca 0.37 -0.04 -0.14 0.00 1.87 0.00 0.00 56.30 58.37 1jm7 h ASN 13 Cb -0.12 -0.27 -0.00 0.00 0.27 0.00 0.00 38.32 38.20 1jm7 h ASN 13 CO -0.09 0.78 -0.36 0.58 -0.37 0.00 0.00 177.43 177.96 1jm7 h VAL 14 N 1.24 1.30 -0.10 2.57 2.07 -1.26 -2.14 116.25 119.94 1jm7 h VAL 14 Ca 0.33 -1.55 -0.09 0.00 0.82 0.00 0.00 66.70 66.22 1jm7 h VAL 14 Cb -0.12 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1jm7 h VAL 14 CO -0.07 0.50 -0.34 0.40 0.02 0.00 0.00 177.57 178.08 1jm7 h ILE 15 N 0.49 1.27 0.12 4.57 2.04 -0.84 -1.84 117.51 123.33 1jm7 h ILE 15 Ca 0.03 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 1jm7 h ILE 15 Cb 0.95 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1jm7 h ILE 15 CO 0.09 0.39 -0.06 -1.13 0.00 0.00 0.00 178.15 177.44 1jm7 h ASN 16 N 0.17 -0.14 -0.94 1.72 -0.73 -0.67 -2.86 115.58 112.13 1jm7 h ASN 16 Ca 0.02 -0.40 0.03 0.00 1.87 0.00 0.00 56.30 57.83 1jm7 h ASN 16 Cb 0.68 0.04 -0.05 0.00 0.27 0.00 0.00 38.32 39.25 1jm7 h ASN 16 CO 0.05 0.38 0.62 0.00 -0.37 0.00 0.00 177.43 178.10 1jm7 h ALA 17 N 0.04 1.40 -0.74 1.57 0.00 -1.37 -2.06 119.26 118.09 1jm7 h ALA 17 Ca -0.02 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1jm7 h ALA 17 Cb 0.53 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1jm7 h ALA 17 CO 0.03 0.52 0.46 1.98 0.00 0.00 0.00 179.25 182.24 1jm7 h MET 18 N 1.19 0.87 -0.53 0.00 1.85 -1.36 -1.79 114.93 115.15 1jm7 h MET 18 Ca 0.37 -0.05 -0.04 0.00 -0.61 0.00 0.00 59.70 59.36 1jm7 h MET 18 Cb 0.00 -0.20 -0.02 0.00 0.43 0.00 0.00 31.60 31.81 1jm7 h MET 18 CO -0.11 0.58 0.15 0.37 -0.40 0.00 0.00 176.91 177.49 1jm7 h GLN 19 N 0.90 0.80 -0.93 0.39 4.15 -1.14 -2.54 115.11 116.73 1jm7 h GLN 19 Ca 0.30 -0.15 0.01 0.00 0.77 0.00 0.00 58.65 59.58 1jm7 h GLN 19 Cb 0.04 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.56 1jm7 h GLN 19 CO -0.12 0.70 0.60 0.87 -1.93 0.00 0.00 178.83 178.96 1jm7 h LYS 20 N 0.77 1.23 0.00 1.69 1.57 -0.94 -0.02 116.57 120.87 1jm7 h LYS 20 Ca 0.17 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1jm7 h LYS 20 Cb 0.25 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1jm7 h LYS 20 CO -0.01 0.82 -0.17 0.82 -0.57 0.00 0.00 179.45 180.34 1jm7 h ILE 21 N 1.26 1.10 -0.49 1.86 2.04 -1.07 -2.13 117.51 120.08 1jm7 h ILE 21 Ca 0.34 -0.59 -0.26 0.00 1.00 0.00 0.00 64.86 65.34 1jm7 h ILE 21 Cb -0.13 1.32 -0.16 0.00 -0.74 0.00 0.00 36.82 37.12 1jm7 h ILE 21 CO -0.07 0.17 0.05 0.18 0.00 0.00 0.00 178.15 178.48 1jm7 n LEU 22 N -4.30 4.71 0.00 1.44 4.77 -0.57 -5.00 117.00 118.05 1jm7 n LEU 22 Ca -0.02 -3.80 0.00 0.00 -0.03 0.00 0.00 56.01 52.16 1jm7 n LEU 22 Cb 0.24 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1jm7 n LEU 22 CO 0.36 1.26 0.00 1.21 -1.33 0.00 0.00 177.39 178.89 1jm7 n GLU 23 N -1.12 1.28 -4.68 3.23 2.13 -0.13 -4.22 120.64 117.13 1jm7 n GLU 23 Ca 0.39 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.88 1jm7 n GLU 23 Cb 1.15 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.74 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 2.43 2.55 0.06 0.00 -0.04 -1.26 -3.66 135.00 135.08 1jm7 n PRO 25 Ca -0.18 -1.85 0.00 0.00 -0.04 0.00 0.00 63.50 61.43 1jm7 n PRO 25 Cb 0.53 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.78 0.00 0.74 0.52 -6.64 -1.26 -4.86 119.36 108.63 1jm7 n ILE 26 Ca 0.17 0.00 0.09 0.00 -1.77 0.00 0.00 62.75 61.24 1jm7 n ILE 26 Cb 0.55 -0.46 0.05 0.00 -1.44 0.00 0.00 39.64 38.33 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 0.61 -2.13 -4.44 0.00 7.99 -1.24 -4.97 117.00 112.82 1jm7 n LEU 28 Ca 0.09 -0.16 -0.34 0.00 -0.01 0.00 0.00 56.01 55.59 1jm7 n LEU 28 Cb 0.41 -2.76 -0.13 0.00 -0.11 0.00 0.00 43.42 40.84 1jm7 n LEU 28 CO 0.15 0.05 -0.36 -1.61 -1.51 0.00 0.00 177.39 174.11 1jm7 s GLU 29 N -5.47 3.58 -1.00 3.23 0.41 -1.26 -4.70 118.70 113.50 1jm7 s GLU 29 Ca 0.19 -0.55 -0.27 0.00 -0.41 0.00 0.00 54.97 53.93 1jm7 s GLU 29 Cb -0.09 -2.97 -0.24 0.00 -1.78 0.00 0.00 34.13 29.05 1jm7 s GLU 29 CO 0.23 0.08 2.59 -0.11 -0.49 0.00 0.00 175.26 177.57 1jm7 n LEU 30 N 4.00 -0.05 -4.56 1.80 7.94 -1.26 -4.16 117.00 120.71 1jm7 n LEU 30 Ca -0.17 0.03 -0.47 0.00 -1.11 0.00 0.00 56.01 54.29 1jm7 n LEU 30 Cb 0.52 -0.85 -0.03 0.00 0.53 0.00 0.00 43.42 43.60 1jm7 n LEU 30 CO 0.32 -0.86 0.55 2.30 -1.11 0.00 0.00 177.39 178.58 1jm7 n ILE 31 N 7.11 1.52 -0.07 1.96 -5.35 -1.26 -4.91 119.36 118.35 1jm7 n ILE 31 Ca 0.66 -0.38 -0.09 0.00 -0.27 0.00 0.00 62.75 62.67 1jm7 n ILE 31 Cb 0.05 -0.78 -0.07 0.00 -1.74 0.00 0.00 39.64 37.10 1jm7 n ILE 31 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1jm7 n LYS 32 N 1.19 0.70 -3.74 6.28 4.01 -1.26 -4.81 118.16 120.52 1jm7 n LYS 32 Ca 0.13 0.07 -0.33 0.00 -0.51 0.00 0.00 58.31 57.66 1jm7 n LYS 32 Cb 0.28 -1.29 -0.09 0.00 -0.51 0.00 0.00 35.03 33.42 1jm7 n LYS 32 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1jm7 s GLU 33 N -2.29 2.93 -0.72 1.97 2.56 -1.26 -4.86 118.70 117.03 1jm7 s GLU 33 Ca -0.17 -3.24 -0.30 0.00 0.00 0.00 0.00 54.97 51.26 1jm7 s GLU 33 Cb 0.05 -3.75 -0.15 0.00 2.00 0.00 0.00 34.13 32.27 1jm7 s GLU 33 CO 0.36 -1.26 2.51 -2.30 -0.56 0.00 0.00 175.26 174.01 1jm7 n PRO 34 N 2.31 0.49 -3.76 4.30 -0.02 -1.23 -3.53 135.00 133.55 1jm7 n PRO 34 Ca 0.19 0.03 -0.37 0.00 -2.02 0.00 0.00 63.50 61.34 1jm7 n PRO 34 Cb 0.36 -2.28 -0.12 0.00 -0.02 0.00 0.00 33.50 31.44 1jm7 n PRO 34 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jm7 s VAL 35 N 9.75 4.49 -0.48 -1.45 1.01 -0.58 -3.62 120.40 129.52 1jm7 s VAL 35 Ca 1.19 -0.11 -0.23 0.00 0.00 0.00 0.00 61.98 62.83 1jm7 s VAL 35 Cb -0.85 -3.10 0.03 0.00 0.00 0.00 0.00 36.38 32.46 1jm7 s VAL 35 CO 0.42 0.34 0.79 -0.55 0.00 0.00 0.00 175.10 176.09 1jm7 s SER 36 N 1.53 6.36 0.69 3.32 0.15 -1.07 -0.55 113.70 124.13 1jm7 s SER 36 Ca 0.06 -0.30 -0.11 0.00 0.70 0.00 0.00 55.95 56.30 1jm7 s SER 36 Cb -0.15 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1jm7 s SER 36 CO 0.05 -0.97 1.07 0.42 1.20 0.00 0.00 173.24 175.01 1jm7 s THR 37 N 3.31 3.86 0.57 6.45 -4.23 0.51 -1.84 115.64 124.27 1jm7 s THR 37 Ca 0.27 0.60 0.34 0.00 -1.18 0.00 0.00 61.69 61.73 1jm7 s THR 37 Cb -0.13 -3.54 0.50 0.00 1.34 0.00 0.00 72.50 70.67 1jm7 s THR 37 CO 0.20 -0.79 1.72 0.11 -0.54 0.00 0.00 174.62 175.32 1jm7 h LYS 38 N -0.61 0.00 -0.79 3.99 1.79 -1.80 1.00 116.57 120.14 1jm7 h LYS 38 Ca -0.45 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 57.99 1jm7 h LYS 38 Cb 1.23 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.86 1jm7 h LYS 38 CO 0.62 0.00 0.05 0.00 -1.08 0.00 0.00 179.45 179.04 1jm7 n ASP 40 N 0.26 -3.66 -4.18 0.00 2.03 0.35 -5.01 116.55 106.34 1jm7 n ASP 40 Ca 0.18 -0.78 -0.24 0.00 0.52 0.00 0.00 54.79 54.47 1jm7 n ASP 40 Cb 0.84 -4.49 -0.15 0.00 -0.72 0.00 0.00 41.12 36.61 1jm7 n ASP 40 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1jm7 s HIS 41 N -3.49 1.55 -0.12 -0.67 3.76 -1.22 -4.86 115.29 110.24 1jm7 s HIS 41 Ca 0.22 -0.32 -0.18 0.00 -0.15 0.00 0.00 55.06 54.62 1jm7 s HIS 41 Cb -0.05 -0.97 -0.04 0.00 1.11 0.00 0.00 32.58 32.63 1jm7 s HIS 41 CO 0.78 0.01 0.49 0.42 -0.85 0.00 0.00 174.74 175.60 1jm7 s ILE 42 N -0.57 5.18 0.30 0.60 -1.09 -1.23 -0.37 121.20 124.02 1jm7 s ILE 42 Ca 0.06 0.98 0.02 0.00 -2.23 0.00 0.00 60.65 59.48 1jm7 s ILE 42 Cb -0.07 -3.83 -0.01 0.00 -1.58 0.00 0.00 42.46 36.97 1jm7 s ILE 42 CO 0.00 0.32 0.08 0.49 -1.23 0.00 0.00 174.94 174.60 1jm7 n PHE 43 N 3.71 0.26 -1.08 3.97 3.01 0.29 -4.65 117.46 122.97 1jm7 n PHE 43 Ca -0.07 -1.80 -0.02 0.00 1.01 0.00 0.00 57.45 56.57 1jm7 n PHE 43 Cb 0.52 -0.06 0.29 0.00 -0.01 0.00 0.00 39.48 40.22 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 -0.31 0.00 0.19 0.00 3.00 -1.23 -4.12 118.16 115.69 1jm7 n LYS 45 Ca 0.35 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.80 1jm7 n LYS 45 Cb 1.24 0.00 0.72 0.00 0.00 0.00 0.00 35.03 36.98 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 -0.99 5.64 3.57 -1.93 -1.72 116.94 121.50 1jm7 h PHE 46 Ca 0.00 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1jm7 h PHE 46 Cb 0.00 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.67 1jm7 h PHE 46 CO 0.00 0.00 0.64 0.00 -2.23 0.00 0.00 178.31 176.72 1jm7 h MET 48 N 1.14 0.33 0.31 0.00 2.86 -1.67 0.20 114.93 118.11 1jm7 h MET 48 Ca 0.44 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.94 1jm7 h MET 48 Cb 0.22 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1jm7 h MET 48 CO -0.18 0.60 -0.15 -0.07 1.06 0.00 0.00 176.91 178.17 1jm7 h LEU 49 N 0.29 -0.35 -0.76 1.22 4.07 -1.20 -1.03 115.31 117.55 1jm7 h LEU 49 Ca 0.04 -0.11 -0.10 0.00 0.08 0.00 0.00 57.88 57.79 1jm7 h LEU 49 Cb 0.67 0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.49 1jm7 h LEU 49 CO 0.05 -0.09 -0.14 0.11 -1.08 0.00 0.00 178.44 177.29 1jm7 h LYS 50 N -0.61 0.80 -0.69 1.13 1.57 -1.36 -0.67 116.57 116.74 1jm7 h LYS 50 Ca -0.04 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 1jm7 h LYS 50 Cb 0.44 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1jm7 h LYS 50 CO 0.07 0.89 0.40 1.25 -0.57 0.00 0.00 179.45 181.49 1jm7 h LEU 51 N 0.72 0.83 0.03 2.94 5.85 -0.88 -2.04 115.31 122.75 1jm7 h LEU 51 Ca 0.12 -0.05 -0.23 0.00 0.84 0.00 0.00 57.88 58.55 1jm7 h LEU 51 Cb 0.63 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1jm7 h LEU 51 CO 0.04 0.65 -1.07 -0.07 -0.34 0.00 0.00 178.44 177.66 1jm7 h LEU 52 N 0.95 0.11 0.34 2.25 3.38 -0.92 -3.34 115.31 118.08 1jm7 h LEU 52 Ca 0.25 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1jm7 h LEU 52 Cb -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1jm7 h LEU 52 CO -0.04 1.09 -0.16 -1.13 0.09 0.00 0.00 178.44 178.28 1jm7 h ASN 53 N 0.02 -0.39 0.00 -0.43 -1.24 -0.53 -2.76 115.58 110.25 1jm7 h ASN 53 Ca -0.04 0.00 -0.59 0.00 0.71 0.00 0.00 56.30 56.37 1jm7 h ASN 53 Cb 1.82 0.10 0.01 0.00 0.73 0.00 0.00 38.32 40.99 1jm7 h ASN 53 CO 0.15 -0.26 3.09 0.00 -1.29 0.00 0.00 177.43 179.11 1jm7 n GLN 54 N -5.28 2.68 0.00 6.67 6.02 -0.82 -2.82 117.38 123.83 1jm7 n GLN 54 Ca -0.10 -2.01 0.00 0.00 -0.01 0.00 0.00 57.00 54.87 1jm7 n GLN 54 Cb 0.21 -2.83 0.00 0.00 1.02 0.00 0.00 30.24 28.64 1jm7 n GLN 54 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1jm7 n LYS 55 N 4.89 0.00 -1.38 -1.09 3.00 -1.21 -4.99 118.16 117.37 1jm7 n LYS 55 Ca 0.58 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.76 1jm7 n LYS 55 Cb 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.24 1jm7 n LYS 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1jm7 n LYS 56 N 0.00 -0.97 -0.40 1.64 4.76 -1.04 -4.92 118.16 117.23 1jm7 n LYS 56 Ca 0.00 0.96 0.00 0.00 -2.87 0.00 0.00 58.31 56.40 1jm7 n LYS 56 Cb 0.00 -5.03 0.00 0.00 -1.84 0.00 0.00 35.03 28.16 1jm7 n LYS 56 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jm7 n GLY 57 N -1.25 2.83 3.63 0.72 0.00 -1.26 -5.12 105.19 104.75 1jm7 n GLY 57 Ca -0.13 -0.91 -0.49 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 1.68 -0.51 1.61 -0.02 -1.26 -4.61 135.00 131.89 1jm7 n PRO 58 Ca 0.00 0.61 -0.29 0.00 -2.02 0.00 0.00 63.50 61.79 1jm7 n PRO 58 Cb 0.00 -2.30 0.24 0.00 -0.02 0.00 0.00 33.50 31.42 1jm7 n PRO 58 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1jm7 n SER 59 N 2.90 -2.10 -3.65 2.55 3.41 0.13 -4.85 113.62 112.02 1jm7 n SER 59 Ca 0.17 -0.21 -0.29 0.00 -0.26 0.00 0.00 58.87 58.28 1jm7 n SER 59 Cb 0.25 -1.16 -0.16 0.00 -0.26 0.00 0.00 64.21 62.89 1jm7 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jm7 s GLN 60 N -4.12 0.45 -0.44 4.33 -2.07 -1.26 -3.55 119.66 113.00 1jm7 s GLN 60 Ca 0.65 -0.63 -0.37 0.00 -1.82 0.00 0.00 55.36 53.19 1jm7 s GLN 60 Cb -0.22 -1.70 -0.14 0.00 -1.09 0.00 0.00 33.01 29.86 1jm7 s GLN 60 CO 0.66 -0.89 2.22 0.00 -1.32 0.00 0.00 175.29 175.95 1jm7 n PRO 62 N 8.03 0.48 0.07 0.00 -0.04 -1.26 -0.98 135.00 141.31 1jm7 n PRO 62 Ca 0.47 0.04 -0.15 0.00 -0.04 0.00 0.00 63.50 63.82 1jm7 n PRO 62 Cb 0.14 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.97 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 0.35 0.00 1.53 4.07 -1.89 -3.43 115.31 115.94 1jm7 h LEU 63 Ca 0.00 -0.45 -0.04 0.00 0.08 0.00 0.00 57.88 57.47 1jm7 h LEU 63 Cb 0.16 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 1jm7 h LEU 63 CO 0.00 1.37 -0.72 0.00 -1.08 0.00 0.00 178.44 178.01 1jm7 n LYS 65 N -3.42 0.00 0.00 0.00 2.85 -0.15 -5.10 118.16 112.34 1jm7 n LYS 65 Ca -0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1jm7 n LYS 65 Cb 0.33 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.71 1jm7 n LYS 65 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1jm7 n ASN 66 N 0.00 0.00 0.00 -5.58 6.94 -0.92 -4.39 115.26 111.31 1jm7 n ASN 66 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1jm7 n ASN 66 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1jm7 n ASN 66 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1jm7 n ASP 67 N 0.00 0.00 -3.91 0.53 8.00 -1.26 -4.65 116.55 115.26 1jm7 n ASP 67 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 1jm7 n ASP 67 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 1jm7 n ASP 67 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1jm7 s ILE 68 N 0.00 0.12 0.39 0.53 1.01 -1.23 -4.44 121.20 117.57 1jm7 s ILE 68 Ca 0.00 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.71 1jm7 s ILE 68 Cb 0.00 -0.77 -0.01 0.00 0.01 0.00 0.00 42.46 41.69 1jm7 s ILE 68 CO 0.00 -0.53 0.09 0.35 0.00 0.00 0.00 174.94 174.85 1jm7 n THR 69 N 0.93 0.00 0.12 2.92 -2.24 -1.26 -0.69 114.28 114.06 1jm7 n THR 69 Ca -0.20 -2.11 0.06 0.00 -2.27 0.00 0.00 64.05 59.53 1jm7 n THR 69 Cb 0.58 0.66 0.52 0.00 -2.10 0.00 0.00 70.33 69.99 1jm7 n THR 69 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1jm7 h LYS 70 N 0.00 0.29 -2.81 -0.78 1.79 -1.91 -3.36 116.57 109.79 1jm7 h LYS 70 Ca -0.31 -0.02 -0.59 0.00 -2.18 0.00 0.00 60.65 57.56 1jm7 h LYS 70 Cb 1.09 -0.07 -0.39 0.00 -1.58 0.00 0.00 32.23 31.28 1jm7 h LYS 70 CO 0.49 0.20 -0.80 0.50 -1.08 0.00 0.00 179.45 178.76 1jm7 s ARG 71 N -5.29 0.78 -0.03 3.15 6.06 -1.26 -4.89 118.95 117.47 1jm7 s ARG 71 Ca -0.07 -1.47 0.01 0.00 -2.50 0.00 0.00 55.73 51.70 1jm7 s ARG 71 Cb 0.17 -1.69 0.03 0.00 0.06 0.00 0.00 34.95 33.53 1jm7 s ARG 71 CO 0.70 -1.16 0.88 0.43 -2.50 0.00 0.00 175.30 173.65 1jm7 n SER 72 N 4.04 -0.86 -4.88 -2.12 7.64 -1.26 -5.15 113.62 111.03 1jm7 n SER 72 Ca 0.08 -1.68 -0.23 0.00 1.01 0.00 0.00 58.87 58.06 1jm7 n SER 72 Cb 0.37 0.28 0.06 0.00 -1.01 0.00 0.00 64.21 63.91 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 -0.34 3.11 -0.43 -3.43 1.43 -1.26 -3.67 118.68 114.09 1jm7 s LEU 73 Ca 0.01 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1jm7 s LEU 73 Cb 0.04 -2.68 0.15 0.00 0.03 0.00 0.00 46.19 43.73 1jm7 s LEU 73 CO -0.01 -1.42 0.29 -1.10 0.23 0.00 0.00 176.35 174.34 1jm7 s GLN 74 N -4.95 1.05 -0.42 1.70 -0.21 -0.77 -4.98 119.66 111.09 1jm7 s GLN 74 Ca 0.60 -1.96 -0.27 0.00 0.02 0.00 0.00 55.36 53.76 1jm7 s GLN 74 Cb -0.09 -1.84 -0.07 0.00 1.00 0.00 0.00 33.01 32.01 1jm7 s GLN 74 CO 0.41 -1.26 2.37 0.39 -2.12 0.00 0.00 175.29 175.08 1jm7 n GLU 75 N 3.33 1.27 -3.47 2.91 1.02 -1.26 -2.60 120.64 121.85 1jm7 n GLU 75 Ca 0.17 0.15 -0.15 0.00 -0.02 0.00 0.00 57.16 57.32 1jm7 n GLU 75 Cb 0.39 -3.32 -0.05 0.00 -0.02 0.00 0.00 31.44 28.44 1jm7 n GLU 75 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1jm7 n SER 76 N 14.51 0.63 -3.01 1.62 3.41 -1.24 -5.03 113.62 124.51 1jm7 n SER 76 Ca 0.36 -2.36 -0.13 0.00 -0.26 0.00 0.00 58.87 56.48 1jm7 n SER 76 Cb 0.50 0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 65.19 1jm7 n SER 76 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1jm7 n THR 77 N -0.52 -0.50 -0.01 6.66 -1.04 -1.26 -4.45 114.28 113.17 1jm7 n THR 77 Ca -0.01 -1.98 -0.02 0.00 -2.04 0.00 0.00 64.05 59.99 1jm7 n THR 77 Cb 0.38 -0.07 -0.01 0.00 -1.82 0.00 0.00 70.33 68.81 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 2.89 0.07 0.02 -2.82 1.85 -1.26 -4.69 116.66 112.71 1jm7 n ARG 78 Ca 0.23 0.02 0.13 0.00 -1.00 0.00 0.00 57.85 57.22 1jm7 n ARG 78 Cb 0.53 -0.89 0.35 0.00 -1.05 0.00 0.00 32.46 31.40 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 -2.78 0.18 -0.01 2.89 3.72 -1.26 -4.10 117.46 116.10 1jm7 n PHE 79 Ca -0.05 0.05 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 1jm7 n PHE 79 Cb 0.55 -0.45 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 1jm7 n PHE 79 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1jm7 h SER 80 N 0.00 -0.40 0.14 4.37 0.02 -1.89 0.45 113.55 116.25 1jm7 h SER 80 Ca 0.00 0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1jm7 h SER 80 Cb 0.56 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 1jm7 h SER 80 CO 0.00 -0.17 -0.22 1.56 -1.14 0.00 0.00 176.83 176.86 1jm7 h GLN 81 N -0.14 0.16 -0.03 3.45 4.20 -1.89 -0.68 115.11 120.17 1jm7 h GLN 81 Ca 0.09 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.59 1jm7 h GLN 81 Cb 0.28 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1jm7 h GLN 81 CO -0.23 0.38 -0.74 -0.07 -0.67 0.00 0.00 178.83 177.50 1jm7 h LEU 82 N 0.15 0.26 0.03 1.46 3.38 -1.45 -0.11 115.31 119.04 1jm7 h LEU 82 Ca 0.03 -0.18 -0.28 0.00 0.09 0.00 0.00 57.88 57.54 1jm7 h LEU 82 Cb 0.48 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 41.18 1jm7 h LEU 82 CO 0.03 0.91 -1.14 0.58 0.09 0.00 0.00 178.44 178.91 1jm7 h VAL 83 N 0.14 1.31 -0.03 1.22 2.07 0.30 -2.63 116.25 118.64 1jm7 h VAL 83 Ca -0.02 -2.42 -0.05 0.00 0.82 0.00 0.00 66.70 65.02 1jm7 h VAL 83 Cb 1.30 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.64 1jm7 h VAL 83 CO 0.11 0.74 -0.18 -0.33 0.02 0.00 0.00 177.57 177.93 1jm7 h GLU 84 N 0.30 0.18 -0.95 1.57 5.08 -1.16 -3.03 114.58 116.58 1jm7 h GLU 84 Ca -0.15 -0.15 0.05 0.00 -1.00 0.00 0.00 59.36 58.11 1jm7 h GLU 84 Cb 1.80 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 31.02 1jm7 h GLU 84 CO 0.21 0.82 0.61 0.93 -1.00 0.00 0.00 179.01 180.58 1jm7 h GLU 85 N -0.41 1.12 -0.50 2.33 4.39 -1.13 -2.18 114.58 118.20 1jm7 h GLU 85 Ca -0.01 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.65 1jm7 h GLU 85 Cb 0.85 -0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 29.22 1jm7 h GLU 85 CO 0.04 0.74 0.29 1.25 -1.16 0.00 0.00 179.01 180.17 1jm7 h LEU 86 N 1.16 0.46 -1.73 1.33 5.85 -1.51 -1.35 115.31 119.52 1jm7 h LEU 86 Ca 0.39 0.01 0.11 0.00 0.84 0.00 0.00 57.88 59.23 1jm7 h LEU 86 Cb 0.07 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1jm7 h LEU 86 CO -0.14 0.33 0.38 -0.07 -0.34 0.00 0.00 178.44 178.60 1jm7 h LEU 87 N 0.58 0.27 -0.55 2.25 3.38 -1.27 0.37 115.31 120.34 1jm7 h LEU 87 Ca 0.21 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.02 1jm7 h LEU 87 Cb 0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1jm7 h LEU 87 CO -0.10 0.16 -0.63 0.11 0.09 0.00 0.00 178.44 178.07 1jm7 h LYS 88 N 0.29 0.35 -0.36 1.13 1.57 -1.05 -2.49 116.57 116.02 1jm7 h LYS 88 Ca 0.27 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1jm7 h LYS 88 Cb 0.65 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 1jm7 h LYS 88 CO -0.06 0.87 -0.20 0.82 -0.57 0.00 0.00 179.45 180.31 1jm7 h ILE 89 N 0.26 1.27 -0.20 1.86 2.04 -0.42 -2.24 117.51 120.07 1jm7 h ILE 89 Ca -0.01 -1.27 -0.13 0.00 1.00 0.00 0.00 64.86 64.45 1jm7 h ILE 89 Cb 1.16 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1jm7 h ILE 89 CO 0.10 0.42 -0.37 0.40 0.00 0.00 0.00 178.15 178.70 1jm7 h ILE 90 N 0.61 1.33 -0.54 -0.67 2.04 -1.32 -2.90 117.51 116.06 1jm7 h ILE 90 Ca 0.09 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.36 1jm7 h ILE 90 Cb 0.68 1.84 -0.03 0.00 -0.74 0.00 0.00 36.82 38.57 1jm7 h ILE 90 CO 0.05 0.49 0.35 0.00 0.00 0.00 0.00 178.15 179.05 1jm7 h ALA 92 N 1.19 1.62 0.36 0.00 0.00 -1.42 -2.17 119.26 118.84 1jm7 h ALA 92 Ca 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1jm7 h ALA 92 Cb -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1jm7 h ALA 92 CO -0.04 0.34 -0.19 0.35 0.00 0.00 0.00 179.25 179.71 1jm7 h PHE 93 N 0.65 -0.48 0.00 0.00 3.57 -1.17 -2.34 116.94 117.16 1jm7 h PHE 93 Ca 0.17 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1jm7 h PHE 93 Cb -0.04 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 1jm7 h PHE 93 CO 0.00 -0.30 -0.08 -0.56 -2.23 0.00 0.00 178.31 175.15 1jm7 h GLN 94 N -0.50 0.00 -0.54 1.11 3.07 -1.29 0.27 115.11 117.23 1jm7 h GLN 94 Ca -0.04 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.71 1jm7 h GLN 94 Cb 0.39 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.93 1jm7 h GLN 94 CO 0.07 0.08 0.35 1.25 0.09 0.00 0.00 178.83 180.66 1jm7 h LEU 95 N 0.00 0.58 0.00 0.06 6.46 -0.86 -2.11 115.31 119.44 1jm7 h LEU 95 Ca -0.00 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1jm7 h LEU 95 Cb 0.14 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1jm7 h LEU 95 CO 0.01 0.42 -0.14 -0.67 -0.62 0.00 0.00 178.44 177.44 1jm7 n ASP 96 N -4.74 0.33 0.29 1.25 -0.08 -0.93 -4.72 116.55 107.95 1jm7 n ASP 96 Ca 0.04 0.17 -0.16 0.00 -1.51 0.00 0.00 54.79 53.32 1jm7 n ASP 96 Cb 0.04 -0.55 -0.08 0.00 2.34 0.00 0.00 41.12 42.86 1jm7 n ASP 96 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1jm7 h THR 97 N -0.17 0.45 0.00 5.18 1.35 -0.64 -3.42 112.91 115.65 1jm7 h THR 97 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1jm7 h THR 97 Cb 0.14 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.07 1jm7 h THR 97 CO 0.00 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1jm7 n GLY 98 N -1.12 0.76 3.92 5.82 0.00 -0.79 -3.56 105.19 110.21 1jm7 n GLY 98 Ca -0.12 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 3.47 0.69 0.99 1.02 -1.26 -4.94 118.68 118.65 1jm7 s LEU 99 Ca 0.00 0.77 -0.11 0.00 0.02 0.00 0.00 54.13 54.81 1jm7 s LEU 99 Cb 0.00 -3.66 0.00 0.00 0.02 0.00 0.00 46.19 42.55 1jm7 s LEU 99 CO 0.00 -0.79 1.06 -1.61 0.02 0.00 0.00 176.35 175.03 1jm7 s GLU 100 N -4.82 3.01 0.22 1.70 0.41 -1.26 -4.62 118.70 113.33 1jm7 s GLU 100 Ca 0.50 0.87 0.04 0.00 -0.41 0.00 0.00 54.97 55.97 1jm7 s GLU 100 Cb -0.10 -2.00 -0.05 0.00 -1.78 0.00 0.00 34.13 30.19 1jm7 s GLU 100 CO 0.44 -1.03 -0.02 -0.47 -0.49 0.00 0.00 175.26 173.70 1jm7 s TYR 101 N -3.09 1.51 0.04 1.61 5.04 -1.26 -5.08 117.35 116.13 1jm7 s TYR 101 Ca 0.58 -0.90 -0.00 0.00 -2.44 0.00 0.00 57.07 54.30 1jm7 s TYR 101 Cb -0.13 -0.86 -0.04 0.00 0.35 0.00 0.00 41.96 41.28 1jm7 s TYR 101 CO 0.55 -0.03 0.17 0.00 -1.34 0.00 0.00 175.55 174.90 1jm7 s ALA 102 N -3.41 3.89 -2.10 3.97 0.00 -1.26 -5.21 121.76 117.64 1jm7 s ALA 102 Ca 0.27 -0.86 0.17 0.00 0.00 0.00 0.00 51.96 51.54 1jm7 s ALA 102 Cb 0.05 -1.75 0.13 0.00 0.00 0.00 0.00 23.12 21.56 1jm7 s ALA 102 CO 0.07 0.79 1.03 0.27 0.00 0.00 0.00 175.76 177.92