#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 -0.46 -2.74 6.12 8.00 -1.18 -4.43 116.55 121.87 1jm7 n ASP 2 Ca 0.00 -1.99 -0.20 0.00 0.71 0.00 0.00 54.79 53.31 1jm7 n ASP 2 Cb 0.00 0.14 0.01 0.00 -0.02 0.00 0.00 41.12 41.24 1jm7 n ASP 2 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1jm7 n LEU 3 N 0.13 -1.96 -1.22 0.64 7.94 -1.26 -0.39 117.00 120.89 1jm7 n LEU 3 Ca -0.19 -0.11 -0.16 0.00 -1.11 0.00 0.00 56.01 54.45 1jm7 n LEU 3 Cb 0.82 -2.67 -0.07 0.00 0.53 0.00 0.00 43.42 42.03 1jm7 n LEU 3 CO -0.11 -0.00 -0.15 -1.20 -1.11 0.00 0.00 177.39 174.81 1jm7 n SER 4 N -2.17 -5.29 -1.73 1.96 7.64 -1.26 -2.10 113.62 110.67 1jm7 n SER 4 Ca -0.15 0.39 -0.17 0.00 1.01 0.00 0.00 58.87 59.95 1jm7 n SER 4 Cb 0.63 -4.18 -0.05 0.00 -1.01 0.00 0.00 64.21 59.59 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 1.29 -0.37 -2.56 -0.43 0.00 0.47 -4.91 120.51 114.01 1jm7 n ALA 5 Ca -0.16 0.24 -0.43 0.00 0.00 0.00 0.00 53.44 53.09 1jm7 n ALA 5 Cb 0.58 -1.74 -0.05 0.00 0.00 0.00 0.00 19.45 18.24 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 -4.64 4.23 -1.46 0.00 0.05 -0.89 -4.05 118.68 111.92 1jm7 s LEU 6 Ca 0.00 -0.13 -0.01 0.00 0.05 0.00 0.00 54.13 54.04 1jm7 s LEU 6 Cb 0.00 -2.96 0.00 0.00 -2.05 0.00 0.00 46.19 41.18 1jm7 s LEU 6 CO 0.00 -0.97 0.07 0.54 -0.55 0.00 0.00 176.35 175.44 1jm7 n ARG 7 N 6.84 -2.24 -0.06 1.48 1.74 -1.26 -4.85 116.66 118.32 1jm7 n ARG 7 Ca 0.02 0.82 -0.10 0.00 -0.77 0.00 0.00 57.85 57.83 1jm7 n ARG 7 Cb 0.48 -5.48 -0.15 0.00 -1.02 0.00 0.00 32.46 26.29 1jm7 n ARG 7 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1jm7 n VAL 8 N -3.81 1.53 -0.04 1.55 0.31 -1.26 -3.83 118.33 112.78 1jm7 n VAL 8 Ca -0.19 -0.81 -0.13 0.00 -0.01 0.00 0.00 64.34 63.20 1jm7 n VAL 8 Cb 0.65 -0.85 -0.08 0.00 -0.91 0.00 0.00 33.84 32.65 1jm7 n VAL 8 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1jm7 h GLU 9 N 0.00 0.24 0.50 5.55 4.81 -1.89 -1.71 114.58 122.08 1jm7 h GLU 9 Ca -0.41 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 1jm7 h GLU 9 Cb 2.11 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 31.49 1jm7 h GLU 9 CO 0.05 0.67 -0.30 0.93 -0.73 0.00 0.00 179.01 179.63 1jm7 h GLU 10 N -0.18 -0.73 -0.32 1.92 3.07 -1.98 -2.28 114.58 114.08 1jm7 h GLU 10 Ca 0.01 0.05 0.03 0.00 -0.50 0.00 0.00 59.36 58.96 1jm7 h GLU 10 Cb 0.63 0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.69 1jm7 h GLU 10 CO 0.03 -0.49 0.22 0.28 -1.40 0.00 0.00 179.01 177.64 1jm7 h VAL 11 N -0.76 1.00 -0.56 3.13 2.07 -1.66 -1.77 116.25 117.70 1jm7 h VAL 11 Ca -0.06 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1jm7 h VAL 11 Cb 0.62 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1jm7 h VAL 11 CO 0.06 0.06 0.34 -0.61 0.02 0.00 0.00 177.57 177.44 1jm7 h GLN 12 N 0.30 0.77 -0.11 1.57 4.15 -0.81 -1.90 115.11 119.08 1jm7 h GLN 12 Ca 0.13 -0.07 -0.16 0.00 0.77 0.00 0.00 58.65 59.33 1jm7 h GLN 12 Cb 0.15 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1jm7 h GLN 12 CO -0.03 0.55 -0.60 -0.91 -1.93 0.00 0.00 178.83 175.91 1jm7 h ASN 13 N 0.76 0.43 0.86 -0.69 4.21 -0.83 -2.94 115.58 117.39 1jm7 h ASN 13 Ca 0.20 -0.25 -0.04 0.00 1.21 0.00 0.00 56.30 57.43 1jm7 h ASN 13 Cb -0.02 -0.12 0.01 0.00 -1.12 0.00 0.00 38.32 37.06 1jm7 h ASN 13 CO -0.04 0.93 -0.42 0.58 -1.29 0.00 0.00 177.43 177.19 1jm7 h VAL 14 N 0.28 0.14 -0.68 2.81 2.07 -0.95 -0.42 116.25 119.49 1jm7 h VAL 14 Ca -0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.63 1jm7 h VAL 14 Cb 1.13 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1jm7 h VAL 14 CO 0.10 0.00 0.45 0.40 0.02 0.00 0.00 177.57 178.55 1jm7 h ILE 15 N -1.17 0.86 -0.27 4.57 2.04 -1.43 0.52 117.51 122.63 1jm7 h ILE 15 Ca -0.12 -0.15 -0.11 0.00 1.00 0.00 0.00 64.86 65.47 1jm7 h ILE 15 Cb 0.90 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1jm7 h ILE 15 CO 0.19 0.08 -0.32 -1.13 0.00 0.00 0.00 178.15 176.97 1jm7 h ASN 16 N 0.45 0.58 0.04 1.72 -0.73 -1.29 -2.89 115.58 113.46 1jm7 h ASN 16 Ca 0.32 -0.22 -0.15 0.00 1.87 0.00 0.00 56.30 58.12 1jm7 h ASN 16 Cb 0.65 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.07 1jm7 h ASN 16 CO -0.10 0.86 -0.50 0.00 -0.37 0.00 0.00 177.43 177.32 1jm7 h ALA 17 N 1.18 0.77 -0.52 1.57 0.00 0.79 -2.96 119.26 120.09 1jm7 h ALA 17 Ca 0.06 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1jm7 h ALA 17 Cb 0.78 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1jm7 h ALA 17 CO 0.06 0.67 0.25 1.98 0.00 0.00 0.00 179.25 182.22 1jm7 h MET 18 N 0.41 0.72 -0.41 0.00 1.85 -1.07 -2.44 114.93 113.99 1jm7 h MET 18 Ca 0.02 -0.09 -0.15 0.00 -0.61 0.00 0.00 59.70 58.87 1jm7 h MET 18 Cb 1.02 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.90 1jm7 h MET 18 CO 0.09 0.56 -0.34 0.37 -0.40 0.00 0.00 176.91 177.20 1jm7 h GLN 19 N 0.73 0.94 -0.14 0.39 4.15 -1.37 -2.94 115.11 116.87 1jm7 h GLN 19 Ca 0.18 -0.47 0.01 0.00 0.77 0.00 0.00 58.65 59.15 1jm7 h GLN 19 Cb 0.08 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1jm7 h GLN 19 CO -0.02 1.13 0.09 0.87 -1.93 0.00 0.00 178.83 178.97 1jm7 h LYS 20 N 0.78 0.13 -0.75 1.69 1.57 -1.29 -1.96 116.57 116.74 1jm7 h LYS 20 Ca 0.07 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1jm7 h LYS 20 Cb 0.93 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.17 1jm7 h LYS 20 CO 0.09 0.08 0.48 0.82 -0.57 0.00 0.00 179.45 180.35 1jm7 h ILE 21 N 0.13 1.14 -0.94 1.86 2.04 -1.31 -2.59 117.51 117.83 1jm7 h ILE 21 Ca 0.05 -0.33 -0.63 0.00 1.00 0.00 0.00 64.86 64.95 1jm7 h ILE 21 Cb 0.06 0.09 -0.34 0.00 -0.74 0.00 0.00 36.82 35.89 1jm7 h ILE 21 CO -0.01 0.17 0.24 0.18 0.00 0.00 0.00 178.15 178.74 1jm7 n LEU 22 N -4.61 6.66 0.00 1.44 4.32 -0.77 -5.00 117.00 119.04 1jm7 n LEU 22 Ca 0.08 -4.48 -0.20 0.00 -0.02 0.00 0.00 56.01 51.39 1jm7 n LEU 22 Cb 0.06 -0.74 0.10 0.00 -1.62 0.00 0.00 43.42 41.23 1jm7 n LEU 22 CO 0.34 1.72 0.48 1.21 -1.22 0.00 0.00 177.39 179.93 1jm7 n GLU 23 N -0.83 -0.03 -3.83 3.23 2.13 -0.98 -4.07 120.64 116.25 1jm7 n GLU 23 Ca 0.56 -2.30 -0.37 0.00 0.66 0.00 0.00 57.16 55.70 1jm7 n GLU 23 Cb 0.76 -0.58 -0.06 0.00 0.27 0.00 0.00 31.44 31.83 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 2.03 0.16 0.00 0.00 -0.04 -1.26 -3.75 135.00 132.13 1jm7 n PRO 25 Ca -0.19 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1jm7 n PRO 25 Cb 0.55 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.77 0.00 0.12 0.52 -5.35 -1.26 -4.82 119.36 106.80 1jm7 n ILE 26 Ca 0.04 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.62 1jm7 n ILE 26 Cb 0.39 -0.40 -0.14 0.00 -1.74 0.00 0.00 39.64 37.75 1jm7 n ILE 26 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jm7 n LEU 28 N -2.22 -1.70 -4.35 0.00 7.99 -1.25 -4.98 117.00 110.49 1jm7 n LEU 28 Ca -0.03 0.14 -0.33 0.00 -0.01 0.00 0.00 56.01 55.78 1jm7 n LEU 28 Cb 0.54 -2.68 -0.14 0.00 -0.11 0.00 0.00 43.42 41.03 1jm7 n LEU 28 CO 0.45 -0.45 -0.43 -1.61 -1.51 0.00 0.00 177.39 173.83 1jm7 s GLU 29 N -4.50 3.37 -0.86 3.23 0.41 -1.26 -4.76 118.70 114.33 1jm7 s GLU 29 Ca 0.00 -0.67 -0.32 0.00 -0.41 0.00 0.00 54.97 53.57 1jm7 s GLU 29 Cb 0.00 -2.72 -0.20 0.00 -1.78 0.00 0.00 34.13 29.42 1jm7 s GLU 29 CO 0.00 0.10 2.46 -0.11 -0.49 0.00 0.00 175.26 177.21 1jm7 n LEU 30 N 3.88 0.35 -4.63 1.80 7.94 -1.26 -4.13 117.00 120.95 1jm7 n LEU 30 Ca -0.18 0.26 -0.47 0.00 -1.11 0.00 0.00 56.01 54.51 1jm7 n LEU 30 Cb 0.52 -0.87 -0.03 0.00 0.53 0.00 0.00 43.42 43.57 1jm7 n LEU 30 CO 0.30 -0.69 0.86 2.30 -1.11 0.00 0.00 177.39 179.05 1jm7 n ILE 31 N 6.92 0.98 -0.07 1.96 -5.35 -1.26 -4.91 119.36 117.63 1jm7 n ILE 31 Ca 0.61 -0.25 -0.10 0.00 -0.27 0.00 0.00 62.75 62.74 1jm7 n ILE 31 Cb 0.02 -1.17 -0.08 0.00 -1.74 0.00 0.00 39.64 36.67 1jm7 n ILE 31 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1jm7 n LYS 32 N 1.83 0.68 -3.75 6.28 3.00 -1.26 -4.81 118.16 120.12 1jm7 n LYS 32 Ca 0.13 0.07 -0.33 0.00 -0.00 0.00 0.00 58.31 58.18 1jm7 n LYS 32 Cb 0.28 -1.31 -0.09 0.00 0.00 0.00 0.00 35.03 33.92 1jm7 n LYS 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1jm7 s GLU 33 N -2.30 2.86 0.22 1.64 8.01 -1.26 -4.90 118.70 122.98 1jm7 s GLU 33 Ca -0.18 -3.20 -0.30 0.00 0.01 0.00 0.00 54.97 51.29 1jm7 s GLU 33 Cb 0.05 -3.72 -0.15 0.00 -4.31 0.00 0.00 34.13 26.00 1jm7 s GLU 33 CO 0.38 -1.26 1.06 -2.30 0.01 0.00 0.00 175.26 173.15 1jm7 n PRO 34 N 2.35 1.18 -3.84 0.39 -0.02 -1.25 -3.68 135.00 130.13 1jm7 n PRO 34 Ca 0.19 0.42 -0.18 0.00 -2.02 0.00 0.00 63.50 61.90 1jm7 n PRO 34 Cb 0.36 -1.83 -0.17 0.00 -0.02 0.00 0.00 33.50 31.85 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 -0.62 0.13 -0.44 -1.45 1.01 -0.88 -4.05 120.40 114.10 1jm7 s VAL 35 Ca 0.66 0.17 -0.19 0.00 0.00 0.00 0.00 61.98 62.62 1jm7 s VAL 35 Cb -0.79 -0.27 0.03 0.00 0.00 0.00 0.00 36.38 35.35 1jm7 s VAL 35 CO 0.56 0.16 0.56 -0.94 0.00 0.00 0.00 175.10 175.44 1jm7 s SER 36 N 1.41 6.26 0.68 3.32 1.04 -1.22 -1.94 113.70 123.25 1jm7 s SER 36 Ca -0.04 -0.52 -0.11 0.00 0.48 0.00 0.00 55.95 55.75 1jm7 s SER 36 Cb -0.13 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1jm7 s SER 36 CO -0.03 -0.71 1.06 0.42 0.98 0.00 0.00 173.24 174.96 1jm7 s THR 37 N 2.53 4.08 0.59 2.02 -4.23 0.97 -2.71 115.64 118.89 1jm7 s THR 37 Ca 0.18 0.69 0.30 0.00 -1.18 0.00 0.00 61.69 61.68 1jm7 s THR 37 Cb -0.16 -3.44 0.41 0.00 1.34 0.00 0.00 72.50 70.65 1jm7 s THR 37 CO 0.16 -0.87 1.78 0.11 -0.54 0.00 0.00 174.62 175.26 1jm7 h LYS 38 N -0.61 0.00 -0.78 3.99 1.79 -1.85 0.82 116.57 119.94 1jm7 h LYS 38 Ca -0.44 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 57.97 1jm7 h LYS 38 Cb 1.21 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.82 1jm7 h LYS 38 CO 0.57 0.00 0.07 0.00 -1.08 0.00 0.00 179.45 179.02 1jm7 n ASP 40 N 0.23 -3.09 -4.25 0.00 -0.08 0.29 -5.01 116.55 104.63 1jm7 n ASP 40 Ca 0.21 -0.74 -0.24 0.00 -1.51 0.00 0.00 54.79 52.51 1jm7 n ASP 40 Cb 0.93 -4.65 -0.13 0.00 2.34 0.00 0.00 41.12 39.61 1jm7 n ASP 40 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 1jm7 s HIS 41 N -3.48 1.72 0.19 -0.67 3.76 -1.21 -4.87 115.29 110.73 1jm7 s HIS 41 Ca 0.15 -0.40 -0.04 0.00 -0.15 0.00 0.00 55.06 54.62 1jm7 s HIS 41 Cb -0.03 -0.98 -0.05 0.00 1.11 0.00 0.00 32.58 32.63 1jm7 s HIS 41 CO 0.77 0.14 0.43 0.42 -0.85 0.00 0.00 174.74 175.65 1jm7 s ILE 42 N -1.00 5.13 0.30 0.60 -1.09 -1.25 -0.02 121.20 123.88 1jm7 s ILE 42 Ca 0.06 -0.03 -0.09 0.00 -2.23 0.00 0.00 60.65 58.36 1jm7 s ILE 42 Cb -0.09 -3.67 0.04 0.00 -1.58 0.00 0.00 42.46 37.15 1jm7 s ILE 42 CO 0.03 -0.09 0.56 0.49 -1.23 0.00 0.00 174.94 174.70 1jm7 n PHE 43 N -0.31 -1.87 -1.60 3.97 3.72 -0.82 -4.80 117.46 115.76 1jm7 n PHE 43 Ca -0.03 -1.56 -0.04 0.00 -0.05 0.00 0.00 57.45 55.77 1jm7 n PHE 43 Cb 0.53 0.66 0.17 0.00 -0.94 0.00 0.00 39.48 39.90 1jm7 n PHE 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jm7 n LYS 45 N -1.06 0.00 -0.29 0.00 4.76 -1.24 -4.32 118.16 116.01 1jm7 n LYS 45 Ca 0.30 0.00 0.34 0.00 -2.87 0.00 0.00 58.31 56.08 1jm7 n LYS 45 Cb 0.87 0.00 0.73 0.00 -1.84 0.00 0.00 35.03 34.80 1jm7 n LYS 45 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1jm7 h PHE 46 N 0.00 0.00 -0.66 2.13 3.04 -1.94 0.49 116.94 120.00 1jm7 h PHE 46 Ca 0.00 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 1jm7 h PHE 46 Cb 0.00 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.48 1jm7 h PHE 46 CO 0.00 0.00 0.25 0.00 -2.02 0.00 0.00 178.31 176.54 1jm7 h MET 48 N 0.96 0.15 0.58 0.00 2.86 -0.38 0.14 114.93 119.24 1jm7 h MET 48 Ca 0.22 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.80 1jm7 h MET 48 Cb 0.20 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.84 1jm7 h MET 48 CO -0.02 0.30 -0.28 -0.07 1.06 0.00 0.00 176.91 177.90 1jm7 h LEU 49 N 0.14 -0.66 -1.05 1.22 3.38 -1.36 0.17 115.31 117.15 1jm7 h LEU 49 Ca 0.03 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1jm7 h LEU 49 Cb 0.34 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1jm7 h LEU 49 CO 0.02 -0.28 0.02 0.11 0.09 0.00 0.00 178.44 178.40 1jm7 h LYS 50 N -1.12 0.69 -0.04 1.13 1.57 -1.44 0.11 116.57 117.47 1jm7 h LYS 50 Ca -0.08 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.41 1jm7 h LYS 50 Cb 0.64 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1jm7 h LYS 50 CO 0.13 0.70 -0.53 1.25 -0.57 0.00 0.00 179.45 180.43 1jm7 h LEU 51 N 0.66 0.13 0.20 2.94 5.85 -0.74 0.85 115.31 125.20 1jm7 h LEU 51 Ca 0.14 -0.07 -0.27 0.00 0.84 0.00 0.00 57.88 58.52 1jm7 h LEU 51 Cb 0.39 -0.04 0.03 0.00 0.37 0.00 0.00 40.66 41.41 1jm7 h LEU 51 CO 0.01 0.63 -1.19 -0.07 -0.34 0.00 0.00 178.44 177.49 1jm7 h LEU 52 N 0.09 0.69 -1.39 2.25 3.38 -0.16 -3.30 115.31 116.88 1jm7 h LEU 52 Ca -0.00 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.04 1jm7 h LEU 52 Cb 0.96 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1jm7 h LEU 52 CO 0.07 1.57 0.00 0.59 0.09 0.00 0.00 178.44 180.77 1jm7 n ASN 53 N -3.90 2.12 0.00 -0.43 3.02 0.33 -4.17 115.26 112.23 1jm7 n ASN 53 Ca -0.15 -1.73 0.00 0.00 -0.03 0.00 0.00 54.58 52.67 1jm7 n ASN 53 Cb 0.98 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 40.10 1jm7 n ASN 53 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1jm7 n GLN 54 N 0.64 0.00 0.00 3.52 7.27 0.30 -4.65 117.38 124.45 1jm7 n GLN 54 Ca 0.17 0.39 0.00 0.00 0.07 0.00 0.00 57.00 57.64 1jm7 n GLN 54 Cb 0.44 -1.28 0.00 0.00 2.41 0.00 0.00 30.24 31.81 1jm7 n GLN 54 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1jm7 n LYS 55 N -1.51 0.00 -3.65 3.69 5.02 -1.26 -5.08 118.16 115.37 1jm7 n LYS 55 Ca 0.00 0.03 0.02 0.00 -2.02 0.00 0.00 58.31 56.34 1jm7 n LYS 55 Cb 0.00 -0.34 -0.06 0.00 -0.02 0.00 0.00 35.03 34.60 1jm7 n LYS 55 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1jm7 s LYS 56 N -0.12 0.00 2.18 1.97 2.20 -1.26 -5.16 119.74 119.55 1jm7 s LYS 56 Ca 0.00 0.00 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 1jm7 s LYS 56 Cb 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 1jm7 s LYS 56 CO 0.00 -0.00 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 1jm7 n GLY 57 N 2.63 -1.06 3.43 5.54 0.00 -1.26 -4.92 105.19 109.55 1jm7 n GLY 57 Ca -0.15 -1.30 -0.36 0.00 0.00 0.00 0.00 46.02 44.20 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 0.27 0.00 1.61 -0.02 -1.26 -4.68 135.00 130.92 1jm7 n PRO 58 Ca 0.00 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1jm7 n PRO 58 Cb 0.00 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1jm7 n PRO 58 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1jm7 n SER 59 N 0.14 -1.89 -3.30 2.55 7.64 -0.58 -4.87 113.62 113.31 1jm7 n SER 59 Ca 0.09 -0.03 -0.09 0.00 1.01 0.00 0.00 58.87 59.85 1jm7 n SER 59 Cb 0.50 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.64 1jm7 n SER 59 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1jm7 s GLN 60 N -2.92 0.44 -0.63 1.43 1.11 -1.26 -4.17 119.66 113.67 1jm7 s GLN 60 Ca 0.00 0.05 -0.34 0.00 0.01 0.00 0.00 55.36 55.08 1jm7 s GLN 60 Cb 0.00 -0.32 -0.16 0.00 -1.01 0.00 0.00 33.01 31.52 1jm7 s GLN 60 CO 0.00 -1.05 2.39 0.00 0.01 0.00 0.00 175.29 176.64 1jm7 n PRO 62 N 8.30 0.49 0.00 0.00 -0.04 -1.26 -1.67 135.00 140.82 1jm7 n PRO 62 Ca 0.52 0.04 -0.00 0.00 -0.04 0.00 0.00 63.50 64.02 1jm7 n PRO 62 Cb 0.16 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.01 1jm7 n PRO 62 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1jm7 n LEU 63 N -1.18 0.57 0.00 1.53 4.32 -1.26 -4.86 117.00 116.12 1jm7 n LEU 63 Ca 0.14 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.38 1jm7 n LEU 63 Cb 0.15 0.14 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 1jm7 n LEU 63 CO 0.16 0.19 0.00 0.00 -1.22 0.00 0.00 177.39 176.52 1jm7 n LYS 65 N -0.81 0.00 -1.51 0.00 3.00 -1.03 -5.07 118.16 112.74 1jm7 n LYS 65 Ca 0.00 -0.51 0.00 0.00 -0.00 0.00 0.00 58.31 57.80 1jm7 n LYS 65 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 35.03 35.02 1jm7 n LYS 65 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1jm7 n ASN 66 N 0.66 -8.09 0.00 3.14 3.02 -0.67 -4.85 115.26 108.47 1jm7 n ASN 66 Ca -0.07 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.60 1jm7 n ASN 66 Cb 0.76 -4.09 0.00 0.00 -0.61 0.00 0.00 39.78 35.84 1jm7 n ASN 66 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1jm7 n ASP 67 N -0.05 0.00 -4.08 6.41 8.00 -1.26 -4.61 116.55 120.96 1jm7 n ASP 67 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 1jm7 n ASP 67 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 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 0.21 0.17 0.53 1.01 -1.26 -4.63 121.20 117.23 1jm7 s ILE 68 Ca 0.00 -1.74 0.02 0.00 0.00 0.00 0.00 60.65 58.93 1jm7 s ILE 68 Cb 0.00 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 1jm7 s ILE 68 CO 0.00 -0.96 0.08 0.35 0.00 0.00 0.00 174.94 174.41 1jm7 n THR 69 N 0.19 0.00 0.11 2.92 -2.24 -1.26 -1.53 114.28 112.48 1jm7 n THR 69 Ca -0.15 -1.06 -0.05 0.00 -2.27 0.00 0.00 64.05 60.53 1jm7 n THR 69 Cb 0.61 0.43 -0.02 0.00 -2.10 0.00 0.00 70.33 69.24 1jm7 n THR 69 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1jm7 h LYS 70 N 0.00 -0.28 -3.85 -0.78 3.64 -1.94 -3.40 116.57 109.97 1jm7 h LYS 70 Ca -0.13 0.02 -0.69 0.00 -1.27 0.00 0.00 60.65 58.58 1jm7 h LYS 70 Cb 0.53 0.06 -0.35 0.00 -0.41 0.00 0.00 32.23 32.06 1jm7 h LYS 70 CO 0.20 -0.19 -0.44 0.50 -2.27 0.00 0.00 179.45 177.25 1jm7 s ARG 71 N -3.65 2.35 0.00 1.90 3.00 -1.26 -4.77 118.95 116.51 1jm7 s ARG 71 Ca -0.04 -2.33 0.00 0.00 -1.00 0.00 0.00 55.73 52.36 1jm7 s ARG 71 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 34.95 31.30 1jm7 s ARG 71 CO 0.13 -1.14 0.94 0.43 0.00 0.00 0.00 175.30 175.67 1jm7 n SER 72 N 3.79 -0.93 -4.41 -2.12 7.64 -1.26 -5.14 113.62 111.19 1jm7 n SER 72 Ca 0.05 -1.89 -0.22 0.00 1.01 0.00 0.00 58.87 57.82 1jm7 n SER 72 Cb 0.38 0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 1jm7 n SER 72 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1jm7 n LEU 73 N 0.00 0.00 -3.43 -3.43 4.32 -1.26 -4.26 117.00 108.94 1jm7 n LEU 73 Ca -0.26 -2.44 -0.28 0.00 -0.02 0.00 0.00 56.01 53.00 1jm7 n LEU 73 Cb 0.68 -0.03 -0.11 0.00 -1.62 0.00 0.00 43.42 42.33 1jm7 n LEU 73 CO -0.13 -0.54 -0.32 -1.10 -1.22 0.00 0.00 177.39 174.09 1jm7 s GLN 74 N -3.92 0.68 -0.57 3.23 1.11 -1.10 -5.03 119.66 114.06 1jm7 s GLN 74 Ca 0.26 -1.62 -0.27 0.00 0.01 0.00 0.00 55.36 53.74 1jm7 s GLN 74 Cb -0.02 -1.33 -0.02 0.00 -1.01 0.00 0.00 33.01 30.62 1jm7 s GLN 74 CO 0.17 -1.28 1.86 -1.21 0.01 0.00 0.00 175.29 174.83 1jm7 s GLU 75 N 0.69 2.73 0.29 2.91 8.01 -1.26 -3.42 118.70 128.64 1jm7 s GLU 75 Ca 0.24 0.74 0.06 0.00 0.01 0.00 0.00 54.97 56.02 1jm7 s GLU 75 Cb -0.13 -4.36 -0.06 0.00 -4.31 0.00 0.00 34.13 25.28 1jm7 s GLU 75 CO -0.07 -2.61 -0.03 -1.12 0.01 0.00 0.00 175.26 171.45 1jm7 s SER 76 N 7.85 2.65 -1.15 -0.19 0.01 -1.26 -5.05 113.70 116.56 1jm7 s SER 76 Ca 0.69 -1.24 -0.13 0.00 1.31 0.00 0.00 55.95 56.59 1jm7 s SER 76 Cb -0.14 -0.15 0.20 0.00 0.21 0.00 0.00 66.02 66.15 1jm7 s SER 76 CO 0.23 -0.42 1.30 -0.89 0.41 0.00 0.00 173.24 173.87 1jm7 s THR 77 N -3.09 5.34 0.05 1.44 2.01 -1.26 -4.65 115.64 115.48 1jm7 s THR 77 Ca 0.31 -2.83 -0.03 0.00 0.31 0.00 0.00 61.69 59.45 1jm7 s THR 77 Cb 0.05 -4.80 -0.01 0.00 0.01 0.00 0.00 72.50 67.76 1jm7 s THR 77 CO 0.13 -1.46 -0.05 0.54 -0.69 0.00 0.00 174.62 173.08 1jm7 n ARG 78 N 4.71 0.08 -1.17 4.92 1.74 -1.26 -4.76 116.66 120.92 1jm7 n ARG 78 Ca 0.31 0.03 -0.23 0.00 -0.77 0.00 0.00 57.85 57.19 1jm7 n ARG 78 Cb 0.42 -0.64 0.16 0.00 -1.02 0.00 0.00 32.46 31.38 1jm7 n ARG 78 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1jm7 n PHE 79 N -3.60 2.93 -0.04 -1.55 3.01 -1.26 -4.51 117.46 112.44 1jm7 n PHE 79 Ca -0.03 -1.85 -0.03 0.00 1.01 0.00 0.00 57.45 56.56 1jm7 n PHE 79 Cb 0.12 -0.94 -0.01 0.00 -0.01 0.00 0.00 39.48 38.64 1jm7 n PHE 79 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1jm7 n SER 80 N -1.05 1.03 0.24 4.37 7.64 -1.26 -3.88 113.62 120.71 1jm7 n SER 80 Ca 0.57 0.44 0.09 0.00 1.01 0.00 0.00 58.87 60.98 1jm7 n SER 80 Cb 1.56 -0.70 0.64 0.00 -1.01 0.00 0.00 64.21 64.70 1jm7 n SER 80 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1jm7 h GLN 81 N -0.57 0.00 -0.56 1.43 4.20 -1.91 -1.35 115.11 116.36 1jm7 h GLN 81 Ca 0.00 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1jm7 h GLN 81 Cb 0.31 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 1jm7 h GLN 81 CO 0.00 0.00 0.17 -0.07 -0.67 0.00 0.00 178.83 178.26 1jm7 h LEU 82 N 0.00 0.76 0.13 1.46 3.38 -1.79 -0.42 115.31 118.84 1jm7 h LEU 82 Ca 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1jm7 h LEU 82 Cb 0.07 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1jm7 h LEU 82 CO -0.00 0.72 -0.06 0.58 0.09 0.00 0.00 178.44 179.77 1jm7 h VAL 83 N 0.81 1.02 -0.97 1.22 2.07 -1.36 -2.84 116.25 116.20 1jm7 h VAL 83 Ca 0.18 -1.09 0.07 0.00 0.82 0.00 0.00 66.70 66.68 1jm7 h VAL 83 Cb 0.23 1.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.59 1jm7 h VAL 83 CO -0.01 0.24 0.63 -0.33 0.02 0.00 0.00 177.57 178.12 1jm7 h GLU 84 N -0.74 1.08 -0.76 1.57 4.39 -1.42 -1.64 114.58 117.06 1jm7 h GLU 84 Ca -0.02 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.63 1jm7 h GLU 84 Cb 0.53 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 1jm7 h GLU 84 CO 0.03 0.71 0.50 0.93 -1.16 0.00 0.00 179.01 180.02 1jm7 h GLU 85 N 1.11 0.97 -0.52 2.33 4.39 -1.10 -2.53 114.58 119.22 1jm7 h GLU 85 Ca 0.42 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 60.15 1jm7 h GLU 85 Cb 0.21 -0.22 -0.07 0.00 -0.10 0.00 0.00 28.75 28.57 1jm7 h GLU 85 CO -0.17 0.64 0.12 1.25 -1.16 0.00 0.00 179.01 179.68 1jm7 h LEU 86 N 1.00 0.02 -1.80 1.33 7.12 -1.04 0.65 115.31 122.59 1jm7 h LEU 86 Ca 0.29 0.09 0.04 0.00 0.13 0.00 0.00 57.88 58.42 1jm7 h LEU 86 Cb -0.07 0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 40.17 1jm7 h LEU 86 CO -0.08 0.04 0.20 -0.07 -0.13 0.00 0.00 178.44 178.40 1jm7 h LEU 87 N 0.26 0.22 -0.61 2.25 4.07 -1.34 -0.10 115.31 120.06 1jm7 h LEU 87 Ca 0.26 -0.00 -0.15 0.00 0.08 0.00 0.00 57.88 58.07 1jm7 h LEU 87 Cb 0.35 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.03 1jm7 h LEU 87 CO -0.33 0.15 -0.58 0.11 -1.08 0.00 0.00 178.44 176.71 1jm7 h LYS 88 N 0.26 0.37 -0.06 1.13 1.79 -0.70 -2.13 116.57 117.23 1jm7 h LYS 88 Ca 0.13 -0.24 -0.17 0.00 -2.18 0.00 0.00 60.65 58.18 1jm7 h LYS 88 Cb 0.18 0.03 0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1jm7 h LYS 88 CO -0.03 0.84 -0.63 0.82 -1.08 0.00 0.00 179.45 179.38 1jm7 h ILE 89 N 0.28 1.37 -0.75 1.86 2.04 -0.17 -3.05 117.51 119.09 1jm7 h ILE 89 Ca -0.00 -1.97 -0.05 0.00 1.00 0.00 0.00 64.86 63.84 1jm7 h ILE 89 Cb 1.09 2.33 -0.03 0.00 -0.74 0.00 0.00 36.82 39.47 1jm7 h ILE 89 CO 0.10 0.59 0.27 0.40 0.00 0.00 0.00 178.15 179.50 1jm7 h ILE 90 N 0.12 1.26 -0.45 -0.67 2.04 -1.09 -2.81 117.51 115.91 1jm7 h ILE 90 Ca -0.06 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 64.94 1jm7 h ILE 90 Cb 1.29 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1jm7 h ILE 90 CO 0.13 0.34 0.30 0.00 0.00 0.00 0.00 178.15 178.92 1jm7 h ALA 92 N 1.17 1.78 -0.12 0.00 0.00 -1.39 -2.02 119.26 118.67 1jm7 h ALA 92 Ca 0.17 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1jm7 h ALA 92 Cb -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1jm7 h ALA 92 CO -0.04 0.19 0.05 0.35 0.00 0.00 0.00 179.25 179.80 1jm7 h PHE 93 N 0.45 0.09 0.00 0.00 3.57 -1.13 -2.21 116.94 117.71 1jm7 h PHE 93 Ca 0.14 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 1jm7 h PHE 93 Cb -0.01 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1jm7 h PHE 93 CO -0.00 0.05 -0.34 -0.56 -2.23 0.00 0.00 178.31 175.23 1jm7 h GLN 94 N 0.11 0.00 -0.31 1.11 3.07 -1.33 0.86 115.11 118.63 1jm7 h GLN 94 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.79 1jm7 h GLN 94 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.56 1jm7 h GLN 94 CO -0.05 0.34 0.20 -0.07 0.09 0.00 0.00 178.83 179.35 1jm7 h LEU 95 N 0.00 0.36 0.00 0.06 3.38 -0.76 -2.35 115.31 116.00 1jm7 h LEU 95 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1jm7 h LEU 95 Cb 0.71 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1jm7 h LEU 95 CO 0.04 0.27 -0.35 0.47 0.09 0.00 0.00 178.44 178.97 1jm7 n ASP 96 N -4.87 0.88 0.32 -0.43 8.00 -1.04 -4.72 116.55 114.69 1jm7 n ASP 96 Ca -0.01 0.30 -0.15 0.00 0.71 0.00 0.00 54.79 55.64 1jm7 n ASP 96 Cb 0.03 -0.65 -0.08 0.00 -0.02 0.00 0.00 41.12 40.40 1jm7 n ASP 96 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1jm7 h THR 97 N -0.47 0.23 0.00 -3.53 1.35 -1.04 -3.41 112.91 106.04 1jm7 h THR 97 Ca 0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1jm7 h THR 97 Cb 0.35 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.08 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 -0.74 0.77 3.82 5.82 0.00 -0.65 -3.07 105.19 111.13 1jm7 n GLY 98 Ca -0.12 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 3.80 1.08 0.99 2.01 -1.26 -4.91 118.68 120.40 1jm7 s LEU 99 Ca 0.00 1.68 -0.12 0.00 0.01 0.00 0.00 54.13 55.70 1jm7 s LEU 99 Cb 0.00 -4.53 0.24 0.00 0.01 0.00 0.00 46.19 41.90 1jm7 s LEU 99 CO 0.00 -0.52 1.06 -1.61 1.01 0.00 0.00 176.35 176.29 1jm7 s GLU 100 N -3.52 -0.25 0.19 1.70 2.02 -1.26 -4.57 118.70 113.01 1jm7 s GLU 100 Ca 0.62 0.78 0.03 0.00 0.02 0.00 0.00 54.97 56.41 1jm7 s GLU 100 Cb -0.10 -1.64 -0.05 0.00 0.10 0.00 0.00 34.13 32.44 1jm7 s GLU 100 CO 0.21 -3.26 -0.02 -0.47 0.02 0.00 0.00 175.26 171.74 1jm7 s TYR 101 N -2.66 1.34 0.59 1.61 5.04 -1.26 -5.06 117.35 116.95 1jm7 s TYR 101 Ca 0.67 -0.93 -0.20 0.00 -2.44 0.00 0.00 57.07 54.17 1jm7 s TYR 101 Cb -0.22 -0.75 -0.03 0.00 0.35 0.00 0.00 41.96 41.30 1jm7 s TYR 101 CO 0.61 -0.09 1.32 0.00 -1.34 0.00 0.00 175.55 176.05 1jm7 n ALA 102 N -0.29 1.37 1.61 3.97 0.00 -1.26 -5.22 120.51 120.69 1jm7 n ALA 102 Ca -0.07 0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.59 1jm7 n ALA 102 Cb 0.63 -2.34 0.62 0.00 0.00 0.00 0.00 19.45 18.36 1jm7 n ALA 102 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59