#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jm7 s ASP 2 N 0.00 6.09 -1.19 6.12 1.01 -1.26 -4.99 116.67 122.44 1jm7 s ASP 2 Ca 0.00 -1.86 -0.20 0.00 0.71 0.00 0.00 52.55 51.20 1jm7 s ASP 2 Cb 0.00 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.73 1jm7 s ASP 2 CO 0.00 -0.81 1.89 -0.11 0.21 0.00 0.00 175.17 176.35 1jm7 n LEU 3 N 5.11 4.06 -0.97 1.23 0.00 -1.26 -4.04 117.00 121.12 1jm7 n LEU 3 Ca -0.11 -3.45 -0.04 0.00 0.00 0.00 0.00 56.01 52.40 1jm7 n LEU 3 Cb 0.40 -1.66 -0.04 0.00 0.00 0.00 0.00 43.42 42.12 1jm7 n LEU 3 CO 0.50 -0.82 0.26 -1.20 0.00 0.00 0.00 177.39 176.14 1jm7 n SER 4 N 11.08 -0.71 0.00 1.96 7.64 -1.26 -4.49 113.62 127.83 1jm7 n SER 4 Ca 0.47 -1.41 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1jm7 n SER 4 Cb 0.45 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 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 -0.09 0.00 -0.32 -0.43 0.00 -1.26 -4.92 120.51 113.49 1jm7 n ALA 5 Ca -0.19 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.39 1jm7 n ALA 5 Cb 0.58 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.38 1jm7 n ALA 5 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1jm7 h LEU 6 N 0.00 0.71 -4.79 0.00 8.10 -1.94 -3.37 115.31 114.02 1jm7 h LEU 6 Ca 0.00 0.07 -0.12 0.00 0.11 0.00 0.00 57.88 57.95 1jm7 h LEU 6 Cb 0.00 -0.06 -0.10 0.00 -0.44 0.00 0.00 40.66 40.06 1jm7 h LEU 6 CO 0.00 0.29 0.01 0.54 -4.11 0.00 0.00 178.44 175.17 1jm7 n ARG 7 N -4.66 0.50 -0.10 0.17 1.74 -1.26 -5.01 116.66 108.04 1jm7 n ARG 7 Ca 0.21 -0.94 -0.16 0.00 -0.77 0.00 0.00 57.85 56.19 1jm7 n ARG 7 Cb 0.56 0.02 -0.09 0.00 -1.02 0.00 0.00 32.46 31.93 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 -0.56 1.14 -0.16 1.55 0.31 -1.26 -4.12 118.33 115.23 1jm7 n VAL 8 Ca -0.18 -0.40 -0.00 0.00 -0.01 0.00 0.00 64.34 63.75 1jm7 n VAL 8 Cb 0.70 -1.35 0.24 0.00 -0.91 0.00 0.00 33.84 32.52 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 -0.20 0.89 -0.02 5.55 4.11 -1.93 0.24 114.58 123.22 1jm7 h GLU 9 Ca -0.47 -0.10 -0.00 0.00 0.07 0.00 0.00 59.36 58.86 1jm7 h GLU 9 Cb 1.63 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.70 1jm7 h GLU 9 CO -0.14 0.66 -0.00 0.93 0.07 0.00 0.00 179.01 180.53 1jm7 h GLU 10 N 0.89 0.03 -0.50 1.06 4.39 -1.94 -2.38 114.58 116.13 1jm7 h GLU 10 Ca 0.23 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.82 1jm7 h GLU 10 Cb 0.04 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1jm7 h GLU 10 CO -0.04 0.40 -0.06 0.28 -1.16 0.00 0.00 179.01 178.43 1jm7 h VAL 11 N -0.34 1.26 -0.90 3.13 2.07 -1.66 -2.68 116.25 117.13 1jm7 h VAL 11 Ca 0.00 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.39 1jm7 h VAL 11 Cb 0.38 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1jm7 h VAL 11 CO 0.00 0.40 0.59 -0.61 0.02 0.00 0.00 177.57 177.97 1jm7 h GLN 12 N 0.80 1.20 -0.11 1.57 4.15 -0.51 -1.53 115.11 120.68 1jm7 h GLN 12 Ca 0.14 -0.08 -0.11 0.00 0.77 0.00 0.00 58.65 59.37 1jm7 h GLN 12 Cb 0.56 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 1jm7 h GLN 12 CO 0.03 0.80 -0.42 -0.97 -1.93 0.00 0.00 178.83 176.34 1jm7 h ASN 13 N 1.23 0.27 0.14 -0.69 -1.24 -1.19 -2.78 115.58 111.33 1jm7 h ASN 13 Ca 0.33 -0.11 -0.01 0.00 0.71 0.00 0.00 56.30 57.22 1jm7 h ASN 13 Cb -0.13 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 38.85 1jm7 h ASN 13 CO -0.07 0.66 -0.07 0.58 -1.29 0.00 0.00 177.43 177.24 1jm7 h VAL 14 N 0.21 1.01 -0.12 2.57 2.07 -1.01 -2.81 116.25 118.17 1jm7 h VAL 14 Ca 0.02 -0.84 0.04 0.00 0.82 0.00 0.00 66.70 66.74 1jm7 h VAL 14 Cb 0.83 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1jm7 h VAL 14 CO 0.07 0.19 0.12 0.40 0.02 0.00 0.00 177.57 178.36 1jm7 h ILE 15 N -0.61 0.61 -0.15 4.57 2.04 -1.32 -0.82 117.51 121.84 1jm7 h ILE 15 Ca -0.02 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.66 1jm7 h ILE 15 Cb 0.46 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1jm7 h ILE 15 CO 0.03 0.00 -0.65 -1.13 0.00 0.00 0.00 178.15 176.40 1jm7 h ASN 16 N 0.00 0.65 0.27 1.72 -0.73 -1.36 -2.57 115.58 113.56 1jm7 h ASN 16 Ca 0.06 -0.38 -0.01 0.00 1.87 0.00 0.00 56.30 57.83 1jm7 h ASN 16 Cb 0.29 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.70 1jm7 h ASN 16 CO -0.00 1.13 -0.13 0.00 -0.37 0.00 0.00 177.43 178.05 1jm7 h ALA 17 N 0.87 -0.37 -0.38 1.57 0.00 -0.91 -2.90 119.26 117.15 1jm7 h ALA 17 Ca -0.01 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.82 1jm7 h ALA 17 Cb 1.22 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1jm7 h ALA 17 CO 0.12 -0.42 0.31 0.00 0.00 0.00 0.00 179.25 179.26 1jm7 h MET 18 N -0.94 0.00 -0.27 0.00 -0.00 -1.50 -0.11 114.93 112.11 1jm7 h MET 18 Ca -0.04 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.50 1jm7 h MET 18 Cb 0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.09 1jm7 h MET 18 CO 0.06 0.00 -0.50 0.37 -0.00 0.00 0.00 176.91 176.85 1jm7 h GLN 19 N 0.00 0.75 -0.11 -0.10 4.15 -1.45 -3.01 115.11 115.34 1jm7 h GLN 19 Ca 0.18 -0.45 -0.03 0.00 0.77 0.00 0.00 58.65 59.12 1jm7 h GLN 19 Cb 0.80 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.52 1jm7 h GLN 19 CO -0.00 1.07 -0.08 0.87 -1.93 0.00 0.00 178.83 178.76 1jm7 h LYS 20 N 0.59 0.17 -0.58 1.69 1.79 -0.80 -2.31 116.57 117.11 1jm7 h LYS 20 Ca 0.03 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 1jm7 h LYS 20 Cb 1.07 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.66 1jm7 h LYS 20 CO 0.11 0.26 0.12 0.82 -1.08 0.00 0.00 179.45 179.68 1jm7 h ILE 21 N 0.16 1.24 -0.94 1.86 2.04 -1.37 -2.53 117.51 117.98 1jm7 h ILE 21 Ca 0.04 -0.89 -0.49 0.00 1.00 0.00 0.00 64.86 64.51 1jm7 h ILE 21 Cb 0.25 0.66 -0.29 0.00 -0.74 0.00 0.00 36.82 36.70 1jm7 h ILE 21 CO 0.01 0.33 0.63 0.18 0.00 0.00 0.00 178.15 179.30 1jm7 n LEU 22 N -4.25 6.56 0.00 1.44 4.77 -0.89 -4.94 117.00 119.68 1jm7 n LEU 22 Ca 0.04 -3.50 0.00 0.00 -0.03 0.00 0.00 56.01 52.52 1jm7 n LEU 22 Cb 0.25 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1jm7 n LEU 22 CO 0.41 1.03 0.00 1.21 -1.33 0.00 0.00 177.39 178.71 1jm7 n GLU 23 N -1.04 0.98 -4.60 3.23 4.07 -0.95 -3.07 120.64 119.25 1jm7 n GLU 23 Ca 0.56 0.00 -0.22 0.00 -0.06 0.00 0.00 57.16 57.44 1jm7 n GLU 23 Cb 1.57 0.00 -0.15 0.00 -0.06 0.00 0.00 31.44 32.80 1jm7 n GLU 23 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jm7 n PRO 25 N 2.99 1.48 0.00 0.00 -0.04 -1.26 -1.94 135.00 136.23 1jm7 n PRO 25 Ca -0.16 -0.93 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 1jm7 n PRO 25 Cb 0.54 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.82 0.00 0.22 0.52 -0.00 -1.26 -4.92 119.36 114.75 1jm7 n ILE 26 Ca 0.18 0.00 0.02 0.00 -0.00 0.00 0.00 62.75 62.95 1jm7 n ILE 26 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 40.16 1jm7 n ILE 26 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1jm7 n LEU 28 N -1.04 -5.25 -3.93 0.00 7.99 -0.82 -4.99 117.00 108.96 1jm7 n LEU 28 Ca 0.01 -0.64 -0.09 0.00 -0.01 0.00 0.00 56.01 55.28 1jm7 n LEU 28 Cb 0.08 -2.94 -0.02 0.00 -0.11 0.00 0.00 43.42 40.42 1jm7 n LEU 28 CO 0.09 0.10 0.34 -1.61 -1.51 0.00 0.00 177.39 174.80 1jm7 s GLU 29 N -4.27 1.82 0.63 3.23 0.41 -1.25 -4.82 118.70 114.44 1jm7 s GLU 29 Ca 0.40 -1.29 -0.10 0.00 -0.41 0.00 0.00 54.97 53.58 1jm7 s GLU 29 Cb -0.05 0.54 0.15 0.00 -1.78 0.00 0.00 34.13 32.99 1jm7 s GLU 29 CO 0.67 -0.81 0.35 1.28 -0.49 0.00 0.00 175.26 176.25 1jm7 n LEU 30 N -0.46 0.00 -3.51 1.80 4.32 -1.26 0.12 117.00 118.01 1jm7 n LEU 30 Ca -0.03 -0.35 -0.29 0.00 -0.02 0.00 0.00 56.01 55.32 1jm7 n LEU 30 Cb 0.61 -0.44 -0.13 0.00 -1.62 0.00 0.00 43.42 41.84 1jm7 n LEU 30 CO 0.22 -2.04 -0.32 0.27 -1.22 0.00 0.00 177.39 174.30 1jm7 s ILE 31 N -1.43 0.13 0.08 -0.08 -4.36 -1.18 -4.39 121.20 109.98 1jm7 s ILE 31 Ca 0.27 -1.37 -0.26 0.00 -0.26 0.00 0.00 60.65 59.03 1jm7 s ILE 31 Cb -0.05 -1.12 -0.16 0.00 1.25 0.00 0.00 42.46 42.38 1jm7 s ILE 31 CO 0.22 -0.88 1.69 0.11 0.24 0.00 0.00 174.94 176.33 1jm7 h LYS 32 N 7.57 -0.25 -3.54 0.37 1.79 -1.89 -3.33 116.57 117.29 1jm7 h LYS 32 Ca -0.05 0.02 -0.75 0.00 -2.18 0.00 0.00 60.65 57.69 1jm7 h LYS 32 Cb 0.99 0.06 -0.31 0.00 -1.58 0.00 0.00 32.23 31.38 1jm7 h LYS 32 CO 0.34 -0.15 0.05 -2.00 -1.08 0.00 0.00 179.45 176.61 1jm7 s GLU 33 N -6.08 3.48 -0.04 3.15 2.56 -1.26 -4.92 118.70 115.59 1jm7 s GLU 33 Ca -0.14 -2.96 -0.30 0.00 0.00 0.00 0.00 54.97 51.57 1jm7 s GLU 33 Cb 0.05 -4.19 -0.07 0.00 2.00 0.00 0.00 34.13 31.93 1jm7 s GLU 33 CO 0.65 -1.25 1.81 -1.25 -0.56 0.00 0.00 175.26 174.66 1jm7 s PRO 34 N -0.77 4.08 -0.14 4.30 0.04 -1.25 -3.10 135.00 138.16 1jm7 s PRO 34 Ca 0.24 2.31 0.01 0.00 0.04 0.00 0.00 61.00 63.60 1jm7 s PRO 34 Cb -0.11 -4.08 0.02 0.00 0.04 0.00 0.00 34.50 30.37 1jm7 s PRO 34 CO -0.09 -0.99 -0.14 0.54 0.04 0.00 0.00 177.00 176.36 1jm7 s VAL 35 N 4.53 1.51 -0.29 -0.36 0.11 -1.17 -3.21 120.40 121.53 1jm7 s VAL 35 Ca 0.81 -0.61 -0.29 0.00 -2.93 0.00 0.00 61.98 58.96 1jm7 s VAL 35 Cb -0.36 -1.42 -0.00 0.00 -1.53 0.00 0.00 36.38 33.07 1jm7 s VAL 35 CO 0.35 0.45 1.33 -0.94 -3.33 0.00 0.00 175.10 172.96 1jm7 s SER 36 N 1.38 6.65 0.69 3.54 1.04 -0.97 -2.64 113.70 123.39 1jm7 s SER 36 Ca 0.02 1.25 -0.11 0.00 0.48 0.00 0.00 55.95 57.60 1jm7 s SER 36 Cb -0.13 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.46 1jm7 s SER 36 CO -0.08 -1.09 1.08 0.42 0.98 0.00 0.00 173.24 174.54 1jm7 s THR 37 N 4.44 3.62 0.57 2.02 -4.23 0.23 -1.00 115.64 121.29 1jm7 s THR 37 Ca 0.58 0.49 0.34 0.00 -1.18 0.00 0.00 61.69 61.92 1jm7 s THR 37 Cb -0.18 -3.52 0.50 0.00 1.34 0.00 0.00 72.50 70.65 1jm7 s THR 37 CO 0.24 -0.67 1.73 0.50 -0.54 0.00 0.00 174.62 175.87 1jm7 h LYS 38 N -0.59 0.00 -0.88 3.99 3.11 -1.90 0.99 116.57 121.30 1jm7 h LYS 38 Ca -0.45 0.00 -0.23 0.00 -2.81 0.00 0.00 60.65 57.16 1jm7 h LYS 38 Cb 1.25 0.00 -0.14 0.00 -1.00 0.00 0.00 32.23 32.34 1jm7 h LYS 38 CO 0.63 0.00 0.30 0.00 -2.81 0.00 0.00 179.45 177.57 1jm7 n ASP 40 N -0.25 -2.97 -4.47 0.00 9.92 0.34 -4.98 116.55 114.14 1jm7 n ASP 40 Ca 0.35 -0.81 -0.28 0.00 -0.53 0.00 0.00 54.79 53.52 1jm7 n ASP 40 Cb 1.21 -3.91 -0.11 0.00 -0.64 0.00 0.00 41.12 37.67 1jm7 n ASP 40 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 1jm7 s HIS 41 N -3.50 2.43 -0.14 1.24 3.76 -1.21 -4.82 115.29 113.05 1jm7 s HIS 41 Ca 0.34 -0.31 -0.07 0.00 -0.15 0.00 0.00 55.06 54.87 1jm7 s HIS 41 Cb -0.17 -1.24 -0.04 0.00 1.11 0.00 0.00 32.58 32.23 1jm7 s HIS 41 CO 0.83 0.44 0.13 0.42 -0.85 0.00 0.00 174.74 175.71 1jm7 s ILE 42 N -1.43 5.40 0.36 0.60 -1.09 -1.26 0.76 121.20 124.54 1jm7 s ILE 42 Ca 0.20 0.17 0.06 0.00 -2.23 0.00 0.00 60.65 58.85 1jm7 s ILE 42 Cb -0.09 -3.37 -0.02 0.00 -1.58 0.00 0.00 42.46 37.39 1jm7 s ILE 42 CO 0.10 0.58 0.22 0.49 -1.23 0.00 0.00 174.94 175.10 1jm7 n PHE 43 N 2.36 -0.36 -0.83 3.97 3.01 -1.08 -4.74 117.46 119.79 1jm7 n PHE 43 Ca -0.19 -2.69 -0.11 0.00 1.01 0.00 0.00 57.45 55.47 1jm7 n PHE 43 Cb 0.54 0.15 0.23 0.00 -0.01 0.00 0.00 39.48 40.39 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 -0.40 0.00 0.25 0.00 3.00 -1.18 -4.00 118.16 115.84 1jm7 n LYS 45 Ca 0.42 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.83 1jm7 n LYS 45 Cb 1.36 0.00 0.70 0.00 0.00 0.00 0.00 35.03 37.09 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 -0.36 5.64 3.57 -1.92 -1.40 116.94 122.47 1jm7 h PHE 46 Ca 0.00 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 1jm7 h PHE 46 Cb 0.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1jm7 h PHE 46 CO 0.00 0.00 0.25 0.00 -2.23 0.00 0.00 178.31 176.33 1jm7 h MET 48 N 0.06 0.43 -0.53 0.00 2.86 -1.60 -1.97 114.93 114.18 1jm7 h MET 48 Ca 0.17 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1jm7 h MET 48 Cb 0.60 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.34 1jm7 h MET 48 CO -0.01 1.08 0.34 -0.07 1.06 0.00 0.00 176.91 179.31 1jm7 h LEU 49 N 0.26 0.61 -0.17 1.22 4.07 -1.17 0.32 115.31 120.44 1jm7 h LEU 49 Ca -0.07 -0.02 -0.22 0.00 0.08 0.00 0.00 57.88 57.65 1jm7 h LEU 49 Cb 1.50 -0.15 0.01 0.00 1.08 0.00 0.00 40.66 43.09 1jm7 h LEU 49 CO 0.15 0.45 -0.80 0.11 -1.08 0.00 0.00 178.44 177.27 1jm7 h LYS 50 N 0.71 0.74 -0.03 1.13 6.56 -1.53 -2.11 116.57 122.04 1jm7 h LYS 50 Ca 0.19 -0.62 -0.08 0.00 -1.06 0.00 0.00 60.65 59.08 1jm7 h LYS 50 Cb -0.07 0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 31.71 1jm7 h LYS 50 CO -0.04 1.23 -0.35 1.25 -2.06 0.00 0.00 179.45 179.48 1jm7 h LEU 51 N 0.50 0.06 0.01 2.94 5.85 -1.10 0.83 115.31 124.40 1jm7 h LEU 51 Ca -0.06 -0.02 -0.22 0.00 0.84 0.00 0.00 57.88 58.42 1jm7 h LEU 51 Cb 1.43 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 1jm7 h LEU 51 CO 0.16 0.41 -1.03 -0.07 -0.34 0.00 0.00 178.44 177.57 1jm7 h LEU 52 N 0.05 0.06 0.01 2.25 3.38 -0.33 -3.29 115.31 117.43 1jm7 h LEU 52 Ca 0.00 -0.06 -0.29 0.00 0.09 0.00 0.00 57.88 57.62 1jm7 h LEU 52 Cb 0.64 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1jm7 h LEU 52 CO 0.05 1.05 -1.66 0.78 0.09 0.00 0.00 178.44 178.74 1jm7 h ASN 53 N 0.01 0.02 -0.22 -0.43 4.21 -1.09 -3.35 115.58 114.74 1jm7 h ASN 53 Ca -0.03 -0.05 0.03 0.00 1.21 0.00 0.00 56.30 57.47 1jm7 h ASN 53 Cb 1.79 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 38.97 1jm7 h ASN 53 CO 0.14 1.04 0.15 -0.61 -1.29 0.00 0.00 177.43 176.86 1jm7 h GLN 54 N 0.00 0.16 -6.47 0.81 -0.00 0.60 -3.41 115.11 106.80 1jm7 h GLN 54 Ca -0.27 -0.01 -0.66 0.00 -0.00 0.00 0.00 58.65 57.71 1jm7 h GLN 54 Cb 2.00 -0.04 -0.28 0.00 0.00 0.00 0.00 27.48 29.16 1jm7 h GLN 54 CO 0.08 0.10 -0.87 0.21 0.00 0.00 0.00 178.83 178.36 1jm7 s LYS 55 N -5.19 1.78 0.21 1.69 2.36 -1.24 -5.08 119.74 114.27 1jm7 s LYS 55 Ca -0.06 -0.98 -0.32 0.00 -2.55 0.00 0.00 55.97 52.07 1jm7 s LYS 55 Cb 0.18 -1.85 -0.12 0.00 -1.05 0.00 0.00 37.83 34.99 1jm7 s LYS 55 CO 0.70 0.49 1.73 0.15 1.55 0.00 0.00 175.35 179.96 1jm7 s LYS 56 N -0.95 4.12 2.64 4.03 1.02 -1.26 -4.69 119.74 124.64 1jm7 s LYS 56 Ca 0.10 2.62 0.00 0.00 0.02 0.00 0.00 55.97 58.71 1jm7 s LYS 56 Cb -0.09 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 1jm7 s LYS 56 CO 0.01 -0.76 0.00 0.41 -0.92 0.00 0.00 175.35 174.09 1jm7 n GLY 57 N 3.95 -0.50 3.58 -3.33 0.00 -1.26 -4.85 105.19 102.77 1jm7 n GLY 57 Ca 0.16 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 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 1.22 -0.13 1.61 -0.02 -1.26 -4.78 135.00 131.63 1jm7 n PRO 58 Ca 0.00 0.43 -0.18 0.00 -2.02 0.00 0.00 63.50 61.73 1jm7 n PRO 58 Cb 0.00 -1.90 0.17 0.00 -0.02 0.00 0.00 33.50 31.76 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 0.83 -3.30 -3.77 2.55 3.41 0.30 -4.72 113.62 108.92 1jm7 n SER 59 Ca 0.10 -0.52 -0.29 0.00 -0.26 0.00 0.00 58.87 57.91 1jm7 n SER 59 Cb 0.37 -0.59 -0.16 0.00 -0.26 0.00 0.00 64.21 63.57 1jm7 n SER 59 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1jm7 s GLN 60 N -4.21 0.83 -0.28 4.33 -0.21 -1.26 -1.51 119.66 117.35 1jm7 s GLN 60 Ca 0.40 -0.64 -0.30 0.00 0.02 0.00 0.00 55.36 54.83 1jm7 s GLN 60 Cb -0.07 -2.17 -0.07 0.00 1.00 0.00 0.00 33.01 31.70 1jm7 s GLN 60 CO 0.33 -0.70 2.23 0.00 -2.12 0.00 0.00 175.29 175.03 1jm7 h PRO 62 N 14.40 0.00 0.00 0.00 0.13 -1.94 0.93 132.00 145.52 1jm7 h PRO 62 Ca -0.36 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.58 1jm7 h PRO 62 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1jm7 h PRO 62 CO 0.99 0.00 -0.90 -0.07 -0.23 0.00 0.00 178.00 177.79 1jm7 h LEU 63 N 0.00 0.00 -2.14 1.56 4.07 -1.94 -3.36 115.31 113.49 1jm7 h LEU 63 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1jm7 h LEU 63 Cb 0.57 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.31 1jm7 h LEU 63 CO 0.00 0.90 -0.43 0.00 -1.08 0.00 0.00 178.44 177.83 1jm7 n LYS 65 N -0.20 -2.06 -0.85 0.00 4.76 0.31 -4.93 118.16 115.19 1jm7 n LYS 65 Ca 0.02 0.54 -0.06 0.00 -2.87 0.00 0.00 58.31 55.93 1jm7 n LYS 65 Cb 0.69 -5.02 0.04 0.00 -1.84 0.00 0.00 35.03 28.90 1jm7 n LYS 65 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1jm7 n ASN 66 N -1.36 0.21 -3.95 4.39 5.03 -0.43 -4.78 115.26 114.37 1jm7 n ASN 66 Ca -0.12 -1.22 -0.31 0.00 0.87 0.00 0.00 54.58 53.81 1jm7 n ASN 66 Cb 0.53 -0.20 -0.15 0.00 -1.02 0.00 0.00 39.78 38.94 1jm7 n ASN 66 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1jm7 s ASP 67 N -2.09 4.51 0.55 6.41 2.15 -1.26 0.62 116.67 127.55 1jm7 s ASP 67 Ca 0.17 -1.92 -0.10 0.00 0.43 0.00 0.00 52.55 51.13 1jm7 s ASP 67 Cb -0.01 -1.41 -0.05 0.00 -0.30 0.00 0.00 42.92 41.16 1jm7 s ASP 67 CO 0.12 -0.37 0.94 -0.63 -0.17 0.00 0.00 175.17 175.06 1jm7 s ILE 68 N 1.12 4.74 0.32 4.11 1.01 -0.57 -4.85 121.20 127.10 1jm7 s ILE 68 Ca 0.08 0.73 0.01 0.00 0.00 0.00 0.00 60.65 61.47 1jm7 s ILE 68 Cb -0.19 -3.84 -0.00 0.00 0.01 0.00 0.00 42.46 38.44 1jm7 s ILE 68 CO -0.12 -0.95 0.05 0.35 0.00 0.00 0.00 174.94 174.27 1jm7 n THR 69 N -2.32 0.00 0.05 2.92 -2.24 -1.26 0.11 114.28 111.54 1jm7 n THR 69 Ca 0.04 -1.68 -0.10 0.00 -2.27 0.00 0.00 64.05 60.05 1jm7 n THR 69 Cb 0.54 0.46 -0.13 0.00 -2.10 0.00 0.00 70.33 69.10 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 0.08 -1.01 -0.78 1.57 -1.98 -3.30 116.57 111.15 1jm7 h LYS 70 Ca -0.26 -0.13 -0.49 0.00 -1.87 0.00 0.00 60.65 57.89 1jm7 h LYS 70 Cb 0.88 0.05 -0.29 0.00 0.08 0.00 0.00 32.23 32.95 1jm7 h LYS 70 CO 0.43 0.96 0.63 0.54 -0.57 0.00 0.00 179.45 181.44 1jm7 n ARG 71 N -3.34 2.19 -0.03 3.15 5.12 -1.26 -4.17 116.66 118.31 1jm7 n ARG 71 Ca -0.07 -2.81 -0.04 0.00 -1.93 0.00 0.00 57.85 53.01 1jm7 n ARG 71 Cb 0.99 -2.10 -0.05 0.00 -1.16 0.00 0.00 32.46 30.14 1jm7 n ARG 71 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1jm7 n SER 72 N -1.01 3.41 -4.67 0.55 3.41 -1.24 -5.04 113.62 109.03 1jm7 n SER 72 Ca 0.56 -0.02 -0.35 0.00 -0.26 0.00 0.00 58.87 58.80 1jm7 n SER 72 Cb 1.52 0.38 0.10 0.00 -0.26 0.00 0.00 64.21 65.95 1jm7 n SER 72 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jm7 n LEU 73 N -2.41 4.58 -3.43 1.04 7.99 -1.26 -3.93 117.00 119.57 1jm7 n LEU 73 Ca -0.12 0.69 -0.27 0.00 -0.01 0.00 0.00 56.01 56.30 1jm7 n LEU 73 Cb 0.69 -1.49 -0.11 0.00 -0.11 0.00 0.00 43.42 42.40 1jm7 n LEU 73 CO 0.12 -1.61 -0.29 -1.10 -1.51 0.00 0.00 177.39 173.00 1jm7 s GLN 74 N -3.62 0.59 -0.48 3.23 -1.52 -0.17 -4.99 119.66 112.71 1jm7 s GLN 74 Ca 0.76 -1.31 -0.27 0.00 -1.95 0.00 0.00 55.36 52.60 1jm7 s GLN 74 Cb -0.34 -1.19 -0.08 0.00 -0.22 0.00 0.00 33.01 31.18 1jm7 s GLN 74 CO 0.47 -1.22 2.41 0.39 -0.25 0.00 0.00 175.29 177.09 1jm7 n GLU 75 N 3.97 1.09 -1.73 2.91 4.71 -1.26 -2.28 120.64 128.04 1jm7 n GLU 75 Ca 0.13 0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.35 1jm7 n GLU 75 Cb 0.39 -3.29 0.00 0.00 -1.01 0.00 0.00 31.44 27.53 1jm7 n GLU 75 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1jm7 n SER 76 N 15.01 1.48 -3.47 1.62 7.64 -1.20 -4.99 113.62 129.72 1jm7 n SER 76 Ca 0.38 -0.87 -0.27 0.00 1.01 0.00 0.00 58.87 59.13 1jm7 n SER 76 Cb 0.50 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.60 1jm7 n SER 76 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1jm7 n THR 77 N 0.00 0.20 -0.04 0.44 -1.04 -1.26 -4.59 114.28 107.99 1jm7 n THR 77 Ca 0.00 -4.22 -0.05 0.00 -2.04 0.00 0.00 64.05 57.74 1jm7 n THR 77 Cb 0.00 -1.93 -0.04 0.00 -1.82 0.00 0.00 70.33 66.54 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 1.94 0.99 -1.23 -2.82 1.74 -1.26 -4.71 116.66 111.31 1jm7 n ARG 78 Ca 0.25 0.03 -0.06 0.00 -0.77 0.00 0.00 57.85 57.31 1jm7 n ARG 78 Cb 0.45 -1.17 0.13 0.00 -1.02 0.00 0.00 32.46 30.85 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 -2.60 1.10 -0.08 -1.55 3.72 -1.26 -4.77 117.46 112.01 1jm7 n PHE 79 Ca -0.14 -1.76 -0.07 0.00 -0.05 0.00 0.00 57.45 55.43 1jm7 n PHE 79 Cb 0.67 -0.28 -0.02 0.00 -0.94 0.00 0.00 39.48 38.91 1jm7 n PHE 79 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1jm7 n SER 80 N -0.90 1.88 0.13 4.37 2.88 -1.26 -3.96 113.62 116.76 1jm7 n SER 80 Ca 0.28 0.48 0.13 0.00 -1.33 0.00 0.00 58.87 58.43 1jm7 n SER 80 Cb 0.82 -0.81 0.66 0.00 -0.75 0.00 0.00 64.21 64.13 1jm7 n SER 80 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1jm7 h GLN 81 N -1.00 0.02 -0.19 -1.46 4.20 -1.90 -0.40 115.11 114.37 1jm7 h GLN 81 Ca -0.01 -0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 1jm7 h GLN 81 Cb 0.78 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 1jm7 h GLN 81 CO -0.01 0.01 -0.34 -0.07 -0.67 0.00 0.00 178.83 177.75 1jm7 h LEU 82 N 0.02 0.42 0.11 1.46 4.07 -1.86 -0.75 115.31 118.77 1jm7 h LEU 82 Ca 0.12 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 1jm7 h LEU 82 Cb 0.46 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1jm7 h LEU 82 CO -0.00 0.74 -0.05 0.58 -1.08 0.00 0.00 178.44 178.62 1jm7 h VAL 83 N 0.35 1.05 -0.39 1.22 2.07 -1.21 -2.43 116.25 116.90 1jm7 h VAL 83 Ca 0.04 -1.23 0.01 0.00 0.82 0.00 0.00 66.70 66.33 1jm7 h VAL 83 Cb 0.77 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 1jm7 h VAL 83 CO 0.06 0.27 0.26 -0.33 0.02 0.00 0.00 177.57 177.85 1jm7 h GLU 84 N -0.79 0.51 -0.25 1.57 4.39 -1.45 -1.97 114.58 116.58 1jm7 h GLU 84 Ca -0.02 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1jm7 h GLU 84 Cb 0.56 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1jm7 h GLU 84 CO 0.03 0.34 0.16 0.93 -1.16 0.00 0.00 179.01 179.30 1jm7 h GLU 85 N 0.52 0.34 -0.53 2.33 4.39 -1.23 -2.11 114.58 118.29 1jm7 h GLU 85 Ca 0.14 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.77 1jm7 h GLU 85 Cb -0.05 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 1jm7 h GLU 85 CO -0.04 0.23 0.12 1.25 -1.16 0.00 0.00 179.01 179.41 1jm7 h LEU 86 N 0.35 0.82 -1.33 1.33 5.85 -0.84 -2.65 115.31 118.83 1jm7 h LEU 86 Ca 0.09 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.61 1jm7 h LEU 86 Cb -0.02 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 1jm7 h LEU 86 CO -0.02 0.85 0.47 0.25 -0.34 0.00 0.00 178.44 179.66 1jm7 h LEU 87 N 0.76 0.75 -1.25 2.25 5.85 -1.03 -0.47 115.31 122.16 1jm7 h LEU 87 Ca 0.17 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 1jm7 h LEU 87 Cb 0.36 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1jm7 h LEU 87 CO 0.00 0.51 -0.17 0.11 -0.34 0.00 0.00 178.44 178.55 1jm7 h LYS 88 N 0.87 0.30 -0.04 1.25 1.79 -1.32 0.11 116.57 119.52 1jm7 h LYS 88 Ca 0.29 -0.08 -0.17 0.00 -2.18 0.00 0.00 60.65 58.51 1jm7 h LYS 88 Cb 0.07 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1jm7 h LYS 88 CO -0.08 0.47 -0.71 0.82 -1.08 0.00 0.00 179.45 178.87 1jm7 h ILE 89 N 0.28 1.43 0.01 1.86 2.04 -0.87 -2.46 117.51 119.80 1jm7 h ILE 89 Ca 0.05 -2.23 -0.22 0.00 1.00 0.00 0.00 64.86 63.46 1jm7 h ILE 89 Cb 0.47 2.18 -0.03 0.00 -0.74 0.00 0.00 36.82 38.71 1jm7 h ILE 89 CO 0.03 0.65 -1.06 0.40 0.00 0.00 0.00 178.15 178.18 1jm7 h ILE 90 N 0.15 1.66 -0.19 -0.67 2.04 -0.82 -2.71 117.51 116.97 1jm7 h ILE 90 Ca -0.02 -3.37 -0.10 0.00 1.00 0.00 0.00 64.86 62.37 1jm7 h ILE 90 Cb 1.26 2.83 -0.00 0.00 -0.74 0.00 0.00 36.82 40.18 1jm7 h ILE 90 CO 0.11 0.95 -0.27 0.00 0.00 0.00 0.00 178.15 178.94 1jm7 h ALA 92 N 0.61 0.77 0.85 0.00 0.00 -1.54 -2.76 119.26 117.19 1jm7 h ALA 92 Ca 0.02 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1jm7 h ALA 92 Cb 0.85 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1jm7 h ALA 92 CO 0.06 0.65 -0.46 0.35 0.00 0.00 0.00 179.25 179.86 1jm7 h PHE 93 N 0.57 -1.21 -0.32 0.00 3.57 -1.48 -2.37 116.94 115.69 1jm7 h PHE 93 Ca 0.05 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.62 1jm7 h PHE 93 Cb 0.92 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 1jm7 h PHE 93 CO 0.04 -0.71 0.30 -0.56 -2.23 0.00 0.00 178.31 175.15 1jm7 h GLN 94 N -1.20 0.00 0.21 1.11 -0.00 -1.53 -2.02 115.11 111.67 1jm7 h GLN 94 Ca -0.12 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.54 1jm7 h GLN 94 Cb 0.94 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.40 1jm7 h GLN 94 CO 0.15 0.00 -0.23 1.25 -0.00 0.00 0.00 178.83 180.01 1jm7 h LEU 95 N 0.00 -0.61 -3.98 0.06 7.12 -1.12 -2.60 115.31 114.19 1jm7 h LEU 95 Ca 0.15 0.06 -0.56 0.00 0.13 0.00 0.00 57.88 57.66 1jm7 h LEU 95 Cb 0.75 0.21 -0.30 0.00 -0.53 0.00 0.00 40.66 40.79 1jm7 h LEU 95 CO -0.00 -0.33 0.69 -0.67 -0.13 0.00 0.00 178.44 178.00 1jm7 n ASP 96 N -5.35 4.87 -3.65 1.25 -0.08 -0.81 -4.85 116.55 107.92 1jm7 n ASP 96 Ca -0.08 -3.67 -0.05 0.00 -1.51 0.00 0.00 54.79 49.48 1jm7 n ASP 96 Cb 0.26 -0.87 -0.07 0.00 2.34 0.00 0.00 41.12 42.78 1jm7 n ASP 96 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1jm7 s THR 97 N -3.75 -0.54 -1.87 5.18 -4.23 -0.90 -4.81 115.64 104.72 1jm7 s THR 97 Ca 0.59 0.04 0.03 0.00 -1.18 0.00 0.00 61.69 61.17 1jm7 s THR 97 Cb 0.49 -0.89 0.09 0.00 1.34 0.00 0.00 72.50 73.52 1jm7 s THR 97 CO 0.07 0.02 1.02 0.61 -0.54 0.00 0.00 174.62 175.80 1jm7 n GLY 98 N 4.99 -0.28 0.10 3.99 0.00 -1.26 -3.43 105.19 109.30 1jm7 n GLY 98 Ca -0.15 -0.11 -0.00 0.00 0.00 0.00 0.00 46.02 45.76 1jm7 n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jm7 h LEU 99 N 0.57 0.00 -0.27 0.99 4.07 -1.92 -3.50 115.31 115.25 1jm7 h LEU 99 Ca 0.00 0.00 0.27 0.00 0.08 0.00 0.00 57.88 58.23 1jm7 h LEU 99 Cb 0.20 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 41.85 1jm7 h LEU 99 CO 0.01 0.60 -0.54 -0.62 -1.08 0.00 0.00 178.44 176.80 1jm7 n GLU 100 N -2.94 -2.14 0.04 1.13 1.02 -1.22 -4.71 120.64 111.81 1jm7 n GLU 100 Ca -0.08 1.54 -0.02 0.00 -0.02 0.00 0.00 57.16 58.58 1jm7 n GLU 100 Cb 0.84 -2.68 -0.01 0.00 -0.02 0.00 0.00 31.44 29.57 1jm7 n GLU 100 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1jm7 h TYR 101 N -1.16 -0.11 -1.38 -0.32 3.20 -1.94 -3.48 116.97 111.77 1jm7 h TYR 101 Ca -0.03 -0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.06 1jm7 h TYR 101 Cb 1.26 0.04 -0.21 0.00 1.54 0.00 0.00 36.73 39.35 1jm7 h TYR 101 CO -0.84 -0.07 0.81 0.00 -1.64 0.00 0.00 178.16 176.42 1jm7 s ALA 102 N -3.15 -2.07 -2.00 1.82 0.00 -1.26 -5.11 121.76 109.99 1jm7 s ALA 102 Ca -0.02 1.68 0.05 0.00 0.00 0.00 0.00 51.96 53.67 1jm7 s ALA 102 Cb 0.00 -0.53 0.28 0.00 0.00 0.00 0.00 23.12 22.87 1jm7 s ALA 102 CO 0.05 -0.47 0.76 0.09 0.00 0.00 0.00 175.76 176.19