#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 -0.91 -2.24 6.12 8.00 -1.26 -4.98 116.55 121.29 1jm7 n ASP 2 Ca 0.00 -2.02 -0.18 0.00 0.71 0.00 0.00 54.79 53.30 1jm7 n ASP 2 Cb 0.00 0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 41.37 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 -0.10 -1.59 -0.79 0.64 7.94 -1.26 -0.57 117.00 121.27 1jm7 n LEU 3 Ca -0.25 0.13 -0.10 0.00 -1.11 0.00 0.00 56.01 54.68 1jm7 n LEU 3 Cb 0.74 -2.63 -0.04 0.00 0.53 0.00 0.00 43.42 42.02 1jm7 n LEU 3 CO -0.13 -0.33 -0.10 -1.20 -1.11 0.00 0.00 177.39 174.51 1jm7 n SER 4 N -1.76 -5.39 -1.57 1.96 7.64 -1.26 -2.42 113.62 110.83 1jm7 n SER 4 Ca -0.20 0.26 -0.15 0.00 1.01 0.00 0.00 58.87 59.78 1jm7 n SER 4 Cb 0.65 -3.80 -0.06 0.00 -1.01 0.00 0.00 64.21 59.99 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 1.19 -0.29 -2.25 -0.43 0.00 0.26 -4.86 120.51 114.13 1jm7 n ALA 5 Ca -0.10 0.23 -0.39 0.00 0.00 0.00 0.00 53.44 53.17 1jm7 n ALA 5 Cb 0.53 -1.56 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 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 -4.21 3.24 0.00 0.00 0.05 -1.02 -4.63 118.68 112.11 1jm7 s LEU 6 Ca 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 54.13 54.15 1jm7 s LEU 6 Cb 0.00 -2.54 0.00 0.00 -2.05 0.00 0.00 46.19 41.60 1jm7 s LEU 6 CO 0.00 -2.16 0.00 0.54 -0.55 0.00 0.00 176.35 174.18 1jm7 n ARG 7 N 9.25 0.00 0.00 1.48 1.74 -1.26 -4.81 116.66 123.06 1jm7 n ARG 7 Ca 0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1jm7 n ARG 7 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 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 0.00 0.00 -0.39 1.55 0.31 -1.26 -3.86 118.33 114.69 1jm7 n VAL 8 Ca 0.00 0.00 0.38 0.00 -0.01 0.00 0.00 64.34 64.71 1jm7 n VAL 8 Cb 0.00 0.00 0.76 0.00 -0.91 0.00 0.00 33.84 33.69 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 0.00 0.62 5.55 4.11 -1.94 -0.09 114.58 122.83 1jm7 h GLU 9 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1jm7 h GLU 9 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1jm7 h GLU 9 CO 0.00 0.00 -0.30 0.93 0.07 0.00 0.00 179.01 179.71 1jm7 h GLU 10 N 0.00 -0.80 -0.90 1.06 3.07 -1.94 -2.44 114.58 112.63 1jm7 h GLU 10 Ca 0.63 0.05 0.04 0.00 -0.50 0.00 0.00 59.36 59.58 1jm7 h GLU 10 Cb 2.56 0.18 -0.06 0.00 -0.84 0.00 0.00 28.75 30.59 1jm7 h GLU 10 CO -0.01 -0.48 0.58 0.28 -1.40 0.00 0.00 179.01 177.98 1jm7 h VAL 11 N -1.10 1.13 -0.76 3.13 2.07 -1.41 -2.17 116.25 117.15 1jm7 h VAL 11 Ca -0.08 -0.38 0.10 0.00 0.82 0.00 0.00 66.70 67.15 1jm7 h VAL 11 Cb 0.68 -0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.30 1jm7 h VAL 11 CO 0.14 0.20 0.40 -0.61 0.02 0.00 0.00 177.57 177.72 1jm7 h GLN 12 N 1.10 0.65 -0.60 1.57 4.15 -1.21 -0.35 115.11 120.42 1jm7 h GLN 12 Ca 0.36 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.75 1jm7 h GLN 12 Cb 0.04 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 1jm7 h GLN 12 CO -0.13 0.43 0.40 -0.97 -1.93 0.00 0.00 178.83 176.63 1jm7 h ASN 13 N 0.67 0.69 0.40 -0.69 -0.73 -0.88 -1.11 115.58 113.92 1jm7 h ASN 13 Ca 0.37 -0.02 -0.06 0.00 1.87 0.00 0.00 56.30 58.46 1jm7 h ASN 13 Cb 0.38 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.79 1jm7 h ASN 13 CO -0.26 0.50 -0.29 0.58 -0.37 0.00 0.00 177.43 177.59 1jm7 h VAL 14 N 0.82 1.05 -0.03 2.57 2.07 -0.91 -2.40 116.25 119.42 1jm7 h VAL 14 Ca 0.22 -1.05 -0.14 0.00 0.82 0.00 0.00 66.70 66.55 1jm7 h VAL 14 Cb -0.09 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1jm7 h VAL 14 CO -0.05 0.28 -0.63 0.40 0.02 0.00 0.00 177.57 177.60 1jm7 h ILE 15 N 0.00 1.42 0.01 4.57 1.08 -0.75 -2.35 117.51 121.49 1jm7 h ILE 15 Ca -0.00 -2.09 -0.00 0.00 -0.39 0.00 0.00 64.86 62.37 1jm7 h ILE 15 Cb 0.57 2.10 0.00 0.00 -3.07 0.00 0.00 36.82 36.42 1jm7 h ILE 15 CO 0.04 0.61 -0.00 -1.13 -0.69 0.00 0.00 178.15 176.97 1jm7 h ASN 16 N 0.08 -0.01 -0.75 1.72 -0.73 -1.22 -2.33 115.58 112.34 1jm7 h ASN 16 Ca -0.01 -0.70 0.03 0.00 1.87 0.00 0.00 56.30 57.49 1jm7 h ASN 16 Cb 1.12 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.67 1jm7 h ASN 16 CO 0.09 0.70 0.48 0.00 -0.37 0.00 0.00 177.43 178.33 1jm7 h ALA 17 N 0.23 0.98 -0.49 1.57 0.00 -1.50 -0.29 119.26 119.76 1jm7 h ALA 17 Ca -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1jm7 h ALA 17 Cb 0.71 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1jm7 h ALA 17 CO 0.00 0.28 0.13 1.98 0.00 0.00 0.00 179.25 181.64 1jm7 h MET 18 N 0.93 0.78 -0.69 0.00 1.85 -1.50 -2.94 114.93 113.35 1jm7 h MET 18 Ca 0.30 -0.18 -0.06 0.00 -0.61 0.00 0.00 59.70 59.14 1jm7 h MET 18 Cb 0.00 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 31.90 1jm7 h MET 18 CO -0.11 0.75 0.20 0.37 -0.40 0.00 0.00 176.91 177.72 1jm7 h GLN 19 N 0.67 1.09 -0.34 0.39 4.15 -0.96 -2.40 115.11 117.71 1jm7 h GLN 19 Ca 0.15 -0.25 0.10 0.00 0.77 0.00 0.00 58.65 59.43 1jm7 h GLN 19 Cb 0.32 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1jm7 h GLN 19 CO 0.00 0.95 0.28 0.87 -1.93 0.00 0.00 178.83 179.00 1jm7 h LYS 20 N 1.03 0.00 0.00 1.69 1.57 -0.89 0.14 116.57 120.11 1jm7 h LYS 20 Ca 0.22 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 1jm7 h LYS 20 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1jm7 h LYS 20 CO -0.00 0.00 -0.35 0.82 -0.57 0.00 0.00 179.45 179.35 1jm7 h ILE 21 N 0.00 1.17 -0.22 1.86 2.04 -1.33 -2.90 117.51 118.13 1jm7 h ILE 21 Ca 0.16 -1.23 -0.10 0.00 1.00 0.00 0.00 64.86 64.69 1jm7 h ILE 21 Cb 0.71 1.67 -0.06 0.00 -0.74 0.00 0.00 36.82 38.41 1jm7 h ILE 21 CO -0.00 0.34 -0.18 0.18 0.00 0.00 0.00 178.15 178.49 1jm7 n LEU 22 N -4.01 3.58 0.00 1.44 4.32 0.40 -5.03 117.00 117.70 1jm7 n LEU 22 Ca -0.02 -3.70 0.00 0.00 -0.02 0.00 0.00 56.01 52.27 1jm7 n LEU 22 Cb 0.40 -0.58 0.00 0.00 -1.62 0.00 0.00 43.42 41.61 1jm7 n LEU 22 CO 0.38 1.21 0.00 1.21 -1.22 0.00 0.00 177.39 178.97 1jm7 n GLU 23 N -1.09 0.44 -4.90 3.23 2.13 -0.67 -3.79 120.64 115.99 1jm7 n GLU 23 Ca 0.27 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.76 1jm7 n GLU 23 Cb 0.90 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.47 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 2.99 2.19 0.00 0.00 -0.04 -1.26 -3.04 135.00 135.84 1jm7 n PRO 25 Ca -0.18 -1.78 0.00 0.00 -0.04 0.00 0.00 63.50 61.51 1jm7 n PRO 25 Cb 0.52 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.92 0.00 -0.40 0.52 -6.64 -1.26 -4.88 119.36 107.62 1jm7 n ILE 26 Ca 0.16 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.14 1jm7 n ILE 26 Cb 0.43 -0.21 0.00 0.00 -1.44 0.00 0.00 39.64 38.42 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 -0.13 -1.48 -4.55 0.00 7.99 -1.17 -4.94 117.00 112.72 1jm7 n LEU 28 Ca 0.00 0.05 -0.37 0.00 -0.01 0.00 0.00 56.01 55.68 1jm7 n LEU 28 Cb 0.21 -2.38 -0.11 0.00 -0.11 0.00 0.00 43.42 41.03 1jm7 n LEU 28 CO 0.00 -0.09 -0.21 -1.61 -1.51 0.00 0.00 177.39 173.97 1jm7 s GLU 29 N -5.20 3.86 -0.82 3.23 2.02 -1.26 -4.66 118.70 115.88 1jm7 s GLU 29 Ca 0.07 -0.37 -0.29 0.00 0.02 0.00 0.00 54.97 54.40 1jm7 s GLU 29 Cb -0.03 -3.52 -0.19 0.00 0.10 0.00 0.00 34.13 30.48 1jm7 s GLU 29 CO 0.08 -0.15 2.33 -0.11 0.02 0.00 0.00 175.26 177.44 1jm7 n LEU 30 N 4.89 0.32 -4.50 1.80 7.94 -1.26 -4.20 117.00 122.00 1jm7 n LEU 30 Ca -0.15 0.23 -0.47 0.00 -1.11 0.00 0.00 56.01 54.51 1jm7 n LEU 30 Cb 0.52 -0.82 -0.06 0.00 0.53 0.00 0.00 43.42 43.59 1jm7 n LEU 30 CO 0.33 -0.65 1.86 2.30 -1.11 0.00 0.00 177.39 180.11 1jm7 n ILE 31 N 6.54 0.19 0.06 1.96 -6.64 -1.25 -4.82 119.36 115.41 1jm7 n ILE 31 Ca 0.57 -0.36 -0.19 0.00 -1.77 0.00 0.00 62.75 61.01 1jm7 n ILE 31 Cb 0.02 -1.96 -0.14 0.00 -1.44 0.00 0.00 39.64 36.11 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 13.83 0.29 -3.93 6.28 1.79 -1.88 -3.42 116.57 129.52 1jm7 h LYS 32 Ca -0.30 -0.49 -0.70 0.00 -2.18 0.00 0.00 60.65 56.98 1jm7 h LYS 32 Cb 1.29 0.18 -0.34 0.00 -1.58 0.00 0.00 32.23 31.78 1jm7 h LYS 32 CO 1.03 1.16 -0.41 -1.21 -1.08 0.00 0.00 179.45 178.94 1jm7 s GLU 33 N -2.60 2.42 -0.21 3.15 2.02 -1.26 -4.89 118.70 117.33 1jm7 s GLU 33 Ca -0.12 -2.25 -0.28 0.00 0.02 0.00 0.00 54.97 52.34 1jm7 s GLU 33 Cb 0.06 -3.73 -0.05 0.00 0.10 0.00 0.00 34.13 30.52 1jm7 s GLU 33 CO 0.84 -1.15 2.11 -1.25 0.02 0.00 0.00 175.26 175.83 1jm7 s PRO 34 N 0.43 3.28 -0.17 0.39 0.04 -1.25 -3.53 135.00 134.19 1jm7 s PRO 34 Ca 0.13 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1jm7 s PRO 34 Cb -0.21 -4.31 0.01 0.00 0.04 0.00 0.00 34.50 30.02 1jm7 s PRO 34 CO -0.04 -1.93 -0.16 0.08 0.04 0.00 0.00 177.00 174.99 1jm7 s VAL 35 N 7.61 2.48 -0.58 -0.36 1.01 -0.84 -3.46 120.40 126.27 1jm7 s VAL 35 Ca 0.95 -0.82 -0.23 0.00 0.00 0.00 0.00 61.98 61.88 1jm7 s VAL 35 Cb -0.32 -2.05 0.05 0.00 0.00 0.00 0.00 36.38 34.06 1jm7 s VAL 35 CO 0.35 0.52 0.91 -0.94 0.00 0.00 0.00 175.10 175.94 1jm7 s SER 36 N 1.03 6.28 0.82 3.32 1.04 -0.92 -0.97 113.70 124.30 1jm7 s SER 36 Ca -0.01 -0.61 -0.11 0.00 0.48 0.00 0.00 55.95 55.70 1jm7 s SER 36 Cb -0.15 -2.41 0.09 0.00 0.10 0.00 0.00 66.02 63.65 1jm7 s SER 36 CO -0.04 -1.25 1.09 0.42 0.98 0.00 0.00 173.24 174.44 1jm7 s THR 37 N 3.82 3.05 0.59 2.02 -4.23 0.25 -2.94 115.64 118.20 1jm7 s THR 37 Ca 0.26 0.34 0.30 0.00 -1.18 0.00 0.00 61.69 61.41 1jm7 s THR 37 Cb -0.15 -2.86 0.43 0.00 1.34 0.00 0.00 72.50 71.26 1jm7 s THR 37 CO 0.16 -0.44 1.69 0.50 -0.54 0.00 0.00 174.62 175.98 1jm7 h LYS 38 N -1.29 0.00 -0.85 3.99 3.64 -1.88 0.88 116.57 121.06 1jm7 h LYS 38 Ca -0.46 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 58.81 1jm7 h LYS 38 Cb 1.26 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.01 1jm7 h LYS 38 CO 0.54 0.00 0.14 0.00 -2.27 0.00 0.00 179.45 177.85 1jm7 n ASP 40 N 0.07 -5.11 -4.54 0.00 2.03 0.30 -4.98 116.55 104.32 1jm7 n ASP 40 Ca 0.23 -0.45 -0.30 0.00 0.52 0.00 0.00 54.79 54.79 1jm7 n ASP 40 Cb 0.94 -4.13 -0.10 0.00 -0.72 0.00 0.00 41.12 37.10 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 -3.14 2.67 0.26 -0.67 3.76 -1.21 -4.84 115.29 112.12 1jm7 s HIS 41 Ca 0.44 -0.19 -0.13 0.00 -0.15 0.00 0.00 55.06 55.03 1jm7 s HIS 41 Cb -0.21 -1.41 -0.08 0.00 1.11 0.00 0.00 32.58 31.98 1jm7 s HIS 41 CO 0.54 0.40 0.63 0.42 -0.85 0.00 0.00 174.74 175.89 1jm7 s ILE 42 N -1.17 4.81 0.27 0.60 -1.09 -1.25 0.88 121.20 124.26 1jm7 s ILE 42 Ca 0.20 0.73 -0.04 0.00 -2.23 0.00 0.00 60.65 59.31 1jm7 s ILE 42 Cb -0.11 -3.64 0.02 0.00 -1.58 0.00 0.00 42.46 37.15 1jm7 s ILE 42 CO 0.12 -0.07 0.42 0.49 -1.23 0.00 0.00 174.94 174.68 1jm7 n PHE 43 N -0.08 -1.41 -1.01 3.97 3.01 -0.15 -4.85 117.46 116.94 1jm7 n PHE 43 Ca 0.01 -1.68 -0.02 0.00 1.01 0.00 0.00 57.45 56.77 1jm7 n PHE 43 Cb 0.53 0.48 0.34 0.00 -0.01 0.00 0.00 39.48 40.82 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 0.05 0.00 0.24 0.00 4.81 -1.23 -4.01 118.16 118.03 1jm7 n LYS 45 Ca 0.37 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.95 1jm7 n LYS 45 Cb 1.32 0.00 0.82 0.00 0.02 0.00 0.00 35.03 37.19 1jm7 n LYS 45 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 1jm7 h PHE 46 N 0.00 0.00 -0.51 5.64 3.04 -1.93 -1.38 116.94 121.81 1jm7 h PHE 46 Ca 0.00 0.00 0.15 0.00 3.98 0.00 0.00 57.97 62.10 1jm7 h PHE 46 Cb 0.00 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 1jm7 h PHE 46 CO 0.00 0.00 0.39 0.00 -2.02 0.00 0.00 178.31 176.68 1jm7 h MET 48 N 0.00 0.78 -0.66 0.00 2.86 -1.60 -1.13 114.93 115.18 1jm7 h MET 48 Ca 0.24 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 1jm7 h MET 48 Cb 1.01 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.64 1jm7 h MET 48 CO -0.00 1.01 0.34 -0.07 1.06 0.00 0.00 176.91 179.24 1jm7 h LEU 49 N 0.65 0.84 -0.43 1.22 4.07 -1.06 0.62 115.31 121.23 1jm7 h LEU 49 Ca 0.07 -0.11 -0.18 0.00 0.08 0.00 0.00 57.88 57.74 1jm7 h LEU 49 Cb 0.89 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.40 1jm7 h LEU 49 CO 0.08 0.71 -0.76 0.11 -1.08 0.00 0.00 178.44 177.50 1jm7 h LYS 50 N 0.91 0.25 0.06 1.13 1.57 -1.45 -2.28 116.57 116.76 1jm7 h LYS 50 Ca 0.23 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jm7 h LYS 50 Cb 0.08 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1jm7 h LYS 50 CO -0.03 0.90 -0.03 1.25 -0.57 0.00 0.00 179.45 180.96 1jm7 h LEU 51 N 0.16 -0.07 -1.87 2.94 5.85 -0.86 -0.45 115.31 121.01 1jm7 h LEU 51 Ca -0.03 -0.57 0.00 0.00 0.84 0.00 0.00 57.88 58.13 1jm7 h LEU 51 Cb 1.34 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 1jm7 h LEU 51 CO 0.12 0.62 0.10 -0.07 -0.34 0.00 0.00 178.44 178.86 1jm7 h LEU 52 N -0.85 0.16 0.06 2.25 3.38 0.15 -1.90 115.31 118.56 1jm7 h LEU 52 Ca -0.01 -0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 1jm7 h LEU 52 Cb 0.63 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1jm7 h LEU 52 CO 0.01 0.11 -1.27 -1.13 0.09 0.00 0.00 178.44 176.26 1jm7 h ASN 53 N 0.18 0.20 -2.48 -0.43 -0.73 -1.46 -3.44 115.58 107.42 1jm7 h ASN 53 Ca 0.06 -0.24 -0.53 0.00 1.87 0.00 0.00 56.30 57.45 1jm7 h ASN 53 Cb -0.00 -0.06 0.02 0.00 0.27 0.00 0.00 38.32 38.54 1jm7 h ASN 53 CO -0.01 1.19 1.16 -1.58 -0.37 0.00 0.00 177.43 177.82 1jm7 s GLN 54 N -2.66 4.16 0.77 6.67 0.74 -0.18 -4.72 119.66 124.43 1jm7 s GLN 54 Ca -0.03 2.49 0.00 0.00 0.05 0.00 0.00 55.36 57.87 1jm7 s GLN 54 Cb 0.08 -3.98 0.00 0.00 1.10 0.00 0.00 33.01 30.22 1jm7 s GLN 54 CO 0.84 -0.89 0.00 1.63 -0.55 0.00 0.00 175.29 176.32 1jm7 n LYS 55 N 6.96 -2.17 -3.25 1.67 5.02 -1.26 -4.86 118.16 120.26 1jm7 n LYS 55 Ca 0.19 1.43 -0.23 0.00 -2.02 0.00 0.00 58.31 57.67 1jm7 n LYS 55 Cb 0.41 -2.65 -0.00 0.00 -0.02 0.00 0.00 35.03 32.77 1jm7 n LYS 55 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1jm7 s LYS 56 N -1.65 3.34 0.26 1.97 0.00 -1.26 -4.99 119.74 117.41 1jm7 s LYS 56 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 55.97 55.56 1jm7 s LYS 56 Cb 0.00 -2.63 0.00 0.00 0.00 0.00 0.00 37.83 35.20 1jm7 s LYS 56 CO 0.00 0.01 0.00 0.41 0.00 0.00 0.00 175.35 175.77 1jm7 n GLY 57 N -1.88 -2.44 2.44 0.59 0.00 -1.26 -4.96 105.19 97.69 1jm7 n GLY 57 Ca -0.03 -1.60 -0.15 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.57 -1.73 0.05 1.61 -0.02 -1.26 -4.91 135.00 128.16 1jm7 n PRO 58 Ca 0.00 -0.70 -0.10 0.00 -2.02 0.00 0.00 63.50 60.69 1jm7 n PRO 58 Cb 0.00 -1.24 -0.13 0.00 -0.02 0.00 0.00 33.50 32.11 1jm7 n PRO 58 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1jm7 h SER 59 N -2.71 0.11 -4.40 2.55 4.64 -0.52 -3.45 113.55 109.77 1jm7 h SER 59 Ca -0.19 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1jm7 h SER 59 Cb 0.63 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1jm7 h SER 59 CO 0.11 1.11 -0.89 0.00 -0.87 0.00 0.00 176.83 176.29 1jm7 n GLN 60 N -3.32 -5.08 -2.06 4.77 3.00 -1.22 -4.76 117.38 108.72 1jm7 n GLN 60 Ca -0.07 3.66 -0.43 0.00 -0.01 0.00 0.00 57.00 60.15 1jm7 n GLN 60 Cb 0.99 -4.08 -0.03 0.00 0.00 0.00 0.00 30.24 27.12 1jm7 n GLN 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jm7 n PRO 62 N 7.73 0.18 0.08 0.00 -0.04 -1.26 0.10 135.00 141.80 1jm7 n PRO 62 Ca 0.20 0.13 -0.07 0.00 -0.04 0.00 0.00 63.50 63.72 1jm7 n PRO 62 Cb 0.45 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.06 -1.98 1.53 4.07 -1.89 -3.39 115.31 113.71 1jm7 h LEU 63 Ca 0.00 -0.05 -0.08 0.00 0.08 0.00 0.00 57.88 57.82 1jm7 h LEU 63 Cb 0.23 -0.02 -0.13 0.00 1.08 0.00 0.00 40.66 41.81 1jm7 h LEU 63 CO 0.00 0.96 -0.43 0.00 -1.08 0.00 0.00 178.44 177.88 1jm7 n LYS 65 N 0.12 -3.84 0.00 0.00 4.76 0.29 -4.96 118.16 114.53 1jm7 n LYS 65 Ca -0.07 0.71 0.00 0.00 -2.87 0.00 0.00 58.31 56.07 1jm7 n LYS 65 Cb 0.76 -5.47 0.00 0.00 -1.84 0.00 0.00 35.03 28.48 1jm7 n LYS 65 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1jm7 n ASN 66 N -2.32 -0.39 -3.85 4.39 5.15 -0.39 -4.71 115.26 113.14 1jm7 n ASN 66 Ca -0.09 -0.58 -0.30 0.00 -0.60 0.00 0.00 54.58 53.01 1jm7 n ASN 66 Cb 0.59 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.69 1jm7 n ASN 66 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1jm7 s ASP 67 N -1.25 4.04 -0.08 1.20 2.15 -1.26 -1.71 116.67 119.76 1jm7 s ASP 67 Ca 0.00 -1.55 -0.01 0.00 0.43 0.00 0.00 52.55 51.42 1jm7 s ASP 67 Cb 0.00 -1.08 -0.03 0.00 -0.30 0.00 0.00 42.92 41.50 1jm7 s ASP 67 CO 0.00 -0.35 -0.01 -0.63 -0.17 0.00 0.00 175.17 174.01 1jm7 s ILE 68 N 1.43 4.18 0.10 4.11 1.01 -1.26 -4.84 121.20 125.92 1jm7 s ILE 68 Ca 0.05 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.41 1jm7 s ILE 68 Cb -0.18 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 1jm7 s ILE 68 CO -0.15 0.60 -0.04 0.42 0.00 0.00 0.00 174.94 175.77 1jm7 s THR 69 N -0.83 0.52 0.97 2.92 -4.23 -1.26 0.17 115.64 113.90 1jm7 s THR 69 Ca 0.13 -1.90 -0.11 0.00 -1.18 0.00 0.00 61.69 58.63 1jm7 s THR 69 Cb -0.11 -1.71 0.18 0.00 1.34 0.00 0.00 72.50 72.19 1jm7 s THR 69 CO 0.02 -0.84 1.12 0.29 -0.54 0.00 0.00 174.62 174.67 1jm7 n LYS 70 N -0.03 -0.85 -3.42 3.99 5.02 -1.26 -3.70 118.16 117.92 1jm7 n LYS 70 Ca -0.12 -0.19 -0.18 0.00 -2.02 0.00 0.00 58.31 55.80 1jm7 n LYS 70 Cb 0.61 -2.33 0.08 0.00 -0.02 0.00 0.00 35.03 33.37 1jm7 n LYS 70 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1jm7 n ARG 71 N -4.37 -6.71 0.14 1.97 3.00 -1.26 -4.87 116.66 104.55 1jm7 n ARG 71 Ca 0.10 0.80 0.00 0.00 -0.00 0.00 0.00 57.85 58.75 1jm7 n ARG 71 Cb 0.52 -5.71 0.00 0.00 0.00 0.00 0.00 32.46 27.28 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 -2.95 -0.83 -4.50 6.15 7.64 -1.24 -5.13 113.62 112.76 1jm7 n SER 72 Ca -0.19 0.48 -0.29 0.00 1.01 0.00 0.00 58.87 59.89 1jm7 n SER 72 Cb 0.63 0.95 0.25 0.00 -1.01 0.00 0.00 64.21 65.02 1jm7 n SER 72 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jm7 n LEU 73 N -3.30 -0.79 -3.68 -3.43 -0.00 -1.26 -4.73 117.00 99.81 1jm7 n LEU 73 Ca 0.00 -0.08 -0.10 0.00 -0.00 0.00 0.00 56.01 55.83 1jm7 n LEU 73 Cb 0.00 -1.29 -0.03 0.00 -0.00 0.00 0.00 43.42 42.10 1jm7 n LEU 73 CO 0.00 -3.14 0.33 -1.10 -0.00 0.00 0.00 177.39 173.48 1jm7 s GLN 74 N -4.43 1.40 -0.64 1.47 -0.21 -1.15 -5.00 119.66 111.10 1jm7 s GLN 74 Ca 0.68 -0.79 -0.23 0.00 0.02 0.00 0.00 55.36 55.05 1jm7 s GLN 74 Cb -0.25 0.55 0.06 0.00 1.00 0.00 0.00 33.01 34.37 1jm7 s GLN 74 CO 0.64 -0.61 0.97 -1.21 -2.12 0.00 0.00 175.29 172.97 1jm7 s GLU 75 N -3.85 3.15 -0.25 2.91 8.01 -1.26 -2.16 118.70 125.24 1jm7 s GLU 75 Ca 0.07 -0.72 -0.03 0.00 0.01 0.00 0.00 54.97 54.31 1jm7 s GLU 75 Cb -0.02 -4.20 0.02 0.00 -4.31 0.00 0.00 34.13 25.63 1jm7 s GLU 75 CO -0.04 -1.77 -0.03 -1.54 0.01 0.00 0.00 175.26 171.88 1jm7 s SER 76 N 3.54 4.45 -0.83 -0.19 1.04 -1.22 -5.01 113.70 115.47 1jm7 s SER 76 Ca 0.24 -0.80 -0.24 0.00 0.48 0.00 0.00 55.95 55.63 1jm7 s SER 76 Cb -0.16 -1.71 -0.17 0.00 0.10 0.00 0.00 66.02 64.08 1jm7 s SER 76 CO 0.12 -0.13 1.90 0.41 0.98 0.00 0.00 173.24 176.52 1jm7 n THR 77 N 4.71 1.44 -0.04 2.02 -1.04 -1.26 -4.25 114.28 115.86 1jm7 n THR 77 Ca -0.16 -1.36 -0.05 0.00 -2.04 0.00 0.00 64.05 60.43 1jm7 n THR 77 Cb 0.48 -2.20 -0.05 0.00 -1.82 0.00 0.00 70.33 66.74 1jm7 n THR 77 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1jm7 n ARG 78 N 7.68 1.31 -2.48 -2.82 1.74 -1.26 -4.75 116.66 116.08 1jm7 n ARG 78 Ca 0.47 0.03 -0.18 0.00 -0.77 0.00 0.00 57.85 57.40 1jm7 n ARG 78 Cb 0.43 -1.18 0.02 0.00 -1.02 0.00 0.00 32.46 30.71 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 -2.56 2.40 0.00 -1.55 3.72 -1.26 -4.84 117.46 113.37 1jm7 n PHE 79 Ca -0.14 -2.71 0.00 0.00 -0.05 0.00 0.00 57.45 54.55 1jm7 n PHE 79 Cb 0.70 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 1jm7 n PHE 79 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1jm7 n SER 80 N -0.44 0.00 0.33 4.37 3.41 -1.26 -4.09 113.62 115.94 1jm7 n SER 80 Ca 0.28 0.06 0.21 0.00 -0.26 0.00 0.00 58.87 59.16 1jm7 n SER 80 Cb 0.79 -0.44 1.13 0.00 -0.26 0.00 0.00 64.21 65.43 1jm7 n SER 80 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1jm7 h GLN 81 N 0.00 0.00 -0.01 4.33 1.08 -1.94 -0.05 115.11 118.52 1jm7 h GLN 81 Ca 0.00 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.06 1jm7 h GLN 81 Cb 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 1jm7 h GLN 81 CO 0.00 0.00 -0.67 -0.07 -0.95 0.00 0.00 178.83 177.14 1jm7 h LEU 82 N 0.00 0.05 0.21 1.46 3.38 -1.88 -1.40 115.31 117.13 1jm7 h LEU 82 Ca 0.00 -0.03 -0.32 0.00 0.09 0.00 0.00 57.88 57.62 1jm7 h LEU 82 Cb 0.08 -0.01 0.04 0.00 0.09 0.00 0.00 40.66 40.85 1jm7 h LEU 82 CO -0.00 0.70 -1.38 0.58 0.09 0.00 0.00 178.44 178.43 1jm7 h VAL 83 N 0.03 1.30 -0.20 1.22 2.07 -1.16 -2.92 116.25 116.59 1jm7 h VAL 83 Ca -0.01 -2.62 -0.05 0.00 0.82 0.00 0.00 66.70 64.84 1jm7 h VAL 83 Cb 1.18 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.91 1jm7 h VAL 83 CO 0.09 0.79 -0.07 -0.33 0.02 0.00 0.00 177.57 178.06 1jm7 h GLU 84 N 0.15 0.40 -0.77 1.57 5.08 -1.48 -3.01 114.58 116.51 1jm7 h GLU 84 Ca -0.23 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1jm7 h GLU 84 Cb 2.07 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 31.27 1jm7 h GLU 84 CO 0.26 0.68 0.51 0.93 -1.00 0.00 0.00 179.01 180.39 1jm7 h GLU 85 N 0.10 1.02 -0.57 2.33 3.07 -1.37 -2.31 114.58 116.85 1jm7 h GLU 85 Ca 0.05 -0.06 0.05 0.00 -0.50 0.00 0.00 59.36 58.89 1jm7 h GLU 85 Cb 0.54 -0.23 -0.05 0.00 -0.84 0.00 0.00 28.75 28.18 1jm7 h GLU 85 CO 0.02 0.68 0.31 1.25 -1.40 0.00 0.00 179.01 179.87 1jm7 h LEU 86 N 1.05 0.46 -1.41 1.33 7.12 -1.41 -1.18 115.31 121.28 1jm7 h LEU 86 Ca 0.28 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.32 1jm7 h LEU 86 Cb -0.11 -0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 39.92 1jm7 h LEU 86 CO -0.06 0.31 0.37 -0.07 -0.13 0.00 0.00 178.44 178.86 1jm7 h LEU 87 N 0.59 0.67 -0.53 2.25 3.38 -1.29 -1.78 115.31 118.60 1jm7 h LEU 87 Ca 0.25 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.07 1jm7 h LEU 87 Cb 0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1jm7 h LEU 87 CO -0.16 0.49 -0.22 0.11 0.09 0.00 0.00 178.44 178.76 1jm7 h LYS 88 N 0.78 0.96 -0.69 1.13 1.79 -1.04 -1.87 116.57 117.64 1jm7 h LYS 88 Ca 0.21 -0.41 -0.05 0.00 -2.18 0.00 0.00 60.65 58.22 1jm7 h LYS 88 Cb -0.07 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.52 1jm7 h LYS 88 CO -0.04 1.08 0.23 0.82 -1.08 0.00 0.00 179.45 180.45 1jm7 h ILE 89 N 0.83 1.25 -0.51 1.86 2.04 -0.52 -2.37 117.51 120.09 1jm7 h ILE 89 Ca 0.11 -0.86 -0.11 0.00 1.00 0.00 0.00 64.86 65.00 1jm7 h ILE 89 Cb 0.79 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1jm7 h ILE 89 CO 0.07 0.34 -0.13 0.40 0.00 0.00 0.00 178.15 178.82 1jm7 h ILE 90 N 1.01 1.27 -0.96 -0.67 2.04 -1.24 -2.93 117.51 116.02 1jm7 h ILE 90 Ca 0.22 -1.28 0.01 0.00 1.00 0.00 0.00 64.86 64.81 1jm7 h ILE 90 Cb 0.28 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 1jm7 h ILE 90 CO -0.01 0.45 0.63 0.00 0.00 0.00 0.00 178.15 179.21 1jm7 h ALA 92 N 1.38 0.54 -0.01 0.00 0.00 -1.25 0.13 119.26 120.05 1jm7 h ALA 92 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1jm7 h ALA 92 Cb -0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1jm7 h ALA 92 CO -0.07 -0.02 0.01 0.35 0.00 0.00 0.00 179.25 179.51 1jm7 h PHE 93 N 0.56 0.00 0.00 0.00 3.57 -1.35 -1.05 116.94 118.67 1jm7 h PHE 93 Ca 0.16 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.49 1jm7 h PHE 93 Cb -0.05 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1jm7 h PHE 93 CO -0.05 0.00 -1.12 1.96 -2.23 0.00 0.00 178.31 176.87 1jm7 h GLN 94 N 0.00 0.00 0.27 1.11 4.20 -0.99 0.86 115.11 120.56 1jm7 h GLN 94 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1jm7 h GLN 94 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1jm7 h GLN 94 CO -0.00 0.46 -0.13 1.25 -0.67 0.00 0.00 178.83 179.74 1jm7 h LEU 95 N 0.00 -0.31 0.00 1.46 5.85 0.35 -2.78 115.31 119.88 1jm7 h LEU 95 Ca -0.11 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1jm7 h LEU 95 Cb 1.59 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.70 1jm7 h LEU 95 CO 0.07 -0.21 -0.31 -0.78 -0.34 0.00 0.00 178.44 176.87 1jm7 h ASP 96 N -0.39 0.00 -0.88 1.25 1.82 -1.72 -3.39 116.42 113.11 1jm7 h ASP 96 Ca -0.04 0.00 0.09 0.00 -0.39 0.00 0.00 57.03 56.69 1jm7 h ASP 96 Cb 0.28 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 40.22 1jm7 h ASP 96 CO 0.06 0.53 0.53 0.71 -1.61 0.00 0.00 179.24 179.46 1jm7 h THR 97 N -0.76 0.95 -2.66 2.25 1.35 -1.69 -3.44 112.91 108.91 1jm7 h THR 97 Ca 0.00 -0.30 -0.37 0.00 -0.55 0.00 0.00 66.41 65.19 1jm7 h THR 97 Cb 0.31 -0.02 -0.05 0.00 -1.73 0.00 0.00 68.15 66.65 1jm7 h THR 97 CO 0.00 0.16 -0.44 0.61 -0.25 0.00 0.00 175.52 175.61 1jm7 n GLY 98 N -1.33 0.12 2.85 5.82 0.00 0.30 -4.82 105.19 108.12 1jm7 n GLY 98 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1jm7 n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jm7 n LEU 99 N -2.75 0.00 -4.77 0.99 7.99 -1.18 -4.93 117.00 112.35 1jm7 n LEU 99 Ca -0.21 -1.03 -0.36 0.00 -0.01 0.00 0.00 56.01 54.40 1jm7 n LEU 99 Cb 0.65 -0.77 -0.07 0.00 -0.11 0.00 0.00 43.42 43.12 1jm7 n LEU 99 CO 0.26 -1.46 -0.08 -1.61 -1.51 0.00 0.00 177.39 172.99 1jm7 s GLU 100 N -5.10 4.02 0.30 3.23 2.02 -1.26 -4.74 118.70 117.17 1jm7 s GLU 100 Ca 0.56 -0.00 0.08 0.00 0.02 0.00 0.00 54.97 55.64 1jm7 s GLU 100 Cb -0.03 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 1jm7 s GLU 100 CO 0.41 0.43 0.13 -0.47 0.02 0.00 0.00 175.26 175.77 1jm7 s TYR 101 N -0.07 2.82 0.04 1.61 5.04 -1.26 -5.07 117.35 120.46 1jm7 s TYR 101 Ca 0.15 -0.26 -0.22 0.00 -2.44 0.00 0.00 57.07 54.30 1jm7 s TYR 101 Cb -0.13 -1.46 -0.12 0.00 0.35 0.00 0.00 41.96 40.60 1jm7 s TYR 101 CO 0.03 0.45 1.33 0.00 -1.34 0.00 0.00 175.55 176.02 1jm7 h ALA 102 N 1.61 -1.16 -0.03 3.97 0.00 -1.97 -3.54 119.26 118.15 1jm7 h ALA 102 Ca -0.45 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1jm7 h ALA 102 Cb 1.25 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1jm7 h ALA 102 CO 0.61 -1.12 0.00 -1.71 0.00 0.00 0.00 179.25 177.03