#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 0.13 1.25 6.12 1.11 -1.26 -4.93 116.67 119.09 1jm7 s ASP 2 Ca 0.00 -0.14 -0.14 0.00 0.18 0.00 0.00 52.55 52.46 1jm7 s ASP 2 Cb 0.00 0.02 0.21 0.00 1.07 0.00 0.00 42.92 44.22 1jm7 s ASP 2 CO 0.00 -0.07 0.48 0.18 1.18 0.00 0.00 175.17 176.94 1jm7 n LEU 3 N 2.68 0.00 0.17 1.23 4.32 -1.26 -4.79 117.00 119.35 1jm7 n LEU 3 Ca -0.15 -0.48 0.19 0.00 -0.02 0.00 0.00 56.01 55.54 1jm7 n LEU 3 Cb 0.59 -0.56 0.79 0.00 -1.62 0.00 0.00 43.42 42.62 1jm7 n LEU 3 CO 0.24 -2.25 1.16 0.28 -1.22 0.00 0.00 177.39 175.60 1jm7 h SER 4 N -2.90 0.00 -0.75 -1.43 0.02 -2.01 -3.45 113.55 103.03 1jm7 h SER 4 Ca -0.22 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.41 1jm7 h SER 4 Cb 0.73 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.15 1jm7 h SER 4 CO 0.13 0.00 -0.29 0.00 -1.14 0.00 0.00 176.83 175.53 1jm7 n ALA 5 N -2.27 -0.24 0.23 3.77 0.00 -1.26 -4.85 120.51 115.88 1jm7 n ALA 5 Ca 0.04 0.25 0.07 0.00 0.00 0.00 0.00 53.44 53.80 1jm7 n ALA 5 Cb 0.48 -1.72 0.55 0.00 0.00 0.00 0.00 19.45 18.75 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 0.00 -4.54 0.00 -0.00 -2.02 -3.39 115.31 105.37 1jm7 h LEU 6 Ca -0.32 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.49 1jm7 h LEU 6 Cb 1.08 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.67 1jm7 h LEU 6 CO 0.47 0.19 0.13 -1.14 -0.00 0.00 0.00 178.44 178.09 1jm7 n ARG 7 N -4.12 0.18 0.14 0.17 0.63 -1.26 -5.01 116.66 107.40 1jm7 n ARG 7 Ca -0.02 -0.55 0.00 0.00 -0.92 0.00 0.00 57.85 56.36 1jm7 n ARG 7 Cb 0.26 0.01 0.29 0.00 0.45 0.00 0.00 32.46 33.47 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 0.37 1.29 0.07 5.15 2.07 -1.97 -3.01 116.25 120.23 1jm7 h VAL 8 Ca -0.45 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 65.66 1jm7 h VAL 8 Cb 1.19 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1jm7 h VAL 8 CO -0.16 0.41 -0.05 -0.08 0.02 0.00 0.00 177.57 177.71 1jm7 h GLU 9 N 0.09 -0.12 0.31 1.57 4.81 -1.94 0.16 114.58 119.46 1jm7 h GLU 9 Ca 0.01 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1jm7 h GLU 9 Cb 0.74 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1jm7 h GLU 9 CO 0.06 -0.08 -0.21 0.93 -0.73 0.00 0.00 179.01 178.98 1jm7 h GLU 10 N -0.12 -0.49 -0.13 1.92 4.39 -1.97 -0.39 114.58 117.79 1jm7 h GLU 10 Ca -0.01 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.74 1jm7 h GLU 10 Cb 0.10 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1jm7 h GLU 10 CO 0.00 -0.33 0.09 0.28 -1.16 0.00 0.00 179.01 177.90 1jm7 h VAL 11 N -0.51 1.02 -0.09 3.13 2.07 -1.46 -1.20 116.25 119.22 1jm7 h VAL 11 Ca -0.03 -0.05 -0.15 0.00 0.82 0.00 0.00 66.70 67.29 1jm7 h VAL 11 Cb 0.43 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1jm7 h VAL 11 CO 0.01 0.03 -0.61 -0.61 0.02 0.00 0.00 177.57 176.41 1jm7 h GLN 12 N 0.16 0.31 -0.22 1.57 -0.00 -0.06 -3.00 115.11 113.87 1jm7 h GLN 12 Ca 0.05 -0.22 -0.20 0.00 -0.00 0.00 0.00 58.65 58.29 1jm7 h GLN 12 Cb 0.02 0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.54 1jm7 h GLN 12 CO -0.01 0.83 -0.65 -0.91 0.00 0.00 0.00 178.83 178.09 1jm7 h ASN 13 N 0.23 0.91 -0.81 -0.69 2.35 0.08 -2.84 115.58 114.81 1jm7 h ASN 13 Ca -0.01 -0.54 0.01 0.00 -0.55 0.00 0.00 56.30 55.22 1jm7 h ASN 13 Cb 1.13 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 39.19 1jm7 h ASN 13 CO 0.10 1.33 0.53 0.58 -1.65 0.00 0.00 177.43 178.32 1jm7 h VAL 14 N 0.58 1.20 -0.06 2.81 2.07 -1.32 0.37 116.25 121.89 1jm7 h VAL 14 Ca -0.01 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 1jm7 h VAL 14 Cb 1.26 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1jm7 h VAL 14 CO 0.14 0.20 -0.38 0.40 0.02 0.00 0.00 177.57 177.94 1jm7 h ILE 15 N 1.08 1.29 -0.08 4.57 2.04 -1.52 -2.47 117.51 122.43 1jm7 h ILE 15 Ca 0.30 -1.39 -0.20 0.00 1.00 0.00 0.00 64.86 64.57 1jm7 h ILE 15 Cb -0.11 1.67 0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1jm7 h ILE 15 CO -0.07 0.41 -0.73 -1.13 0.00 0.00 0.00 178.15 176.62 1jm7 h ASN 16 N 0.11 0.78 0.41 1.72 -0.00 -1.10 -2.82 115.58 114.67 1jm7 h ASN 16 Ca 0.01 -0.68 -0.02 0.00 -0.00 0.00 0.00 56.30 55.61 1jm7 h ASN 16 Cb 0.73 -0.23 0.00 0.00 -0.00 0.00 0.00 38.32 38.82 1jm7 h ASN 16 CO 0.05 1.34 -0.20 0.00 -0.00 0.00 0.00 177.43 178.63 1jm7 h ALA 17 N 0.45 -0.55 -0.42 1.57 0.00 -0.84 -2.57 119.26 116.91 1jm7 h ALA 17 Ca -0.07 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1jm7 h ALA 17 Cb 1.39 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1jm7 h ALA 17 CO 0.15 -0.78 0.28 0.00 0.00 0.00 0.00 179.25 178.90 1jm7 h MET 18 N -0.60 0.24 -0.85 0.00 -0.00 -1.55 -0.99 114.93 111.18 1jm7 h MET 18 Ca -0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.63 1jm7 h MET 18 Cb 0.45 -0.05 -0.04 0.00 -0.00 0.00 0.00 31.60 31.95 1jm7 h MET 18 CO 0.09 0.16 0.54 0.37 -0.00 0.00 0.00 176.91 178.07 1jm7 h GLN 19 N 0.25 1.13 -0.05 -0.10 4.15 -1.19 -1.46 115.11 117.83 1jm7 h GLN 19 Ca 0.19 -0.08 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 1jm7 h GLN 19 Cb 0.43 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1jm7 h GLN 19 CO -0.04 0.77 -0.09 0.87 -1.93 0.00 0.00 178.83 178.42 1jm7 h LYS 20 N 1.16 0.07 0.00 1.69 1.57 -0.96 -1.42 116.57 118.68 1jm7 h LYS 20 Ca 0.31 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.99 1jm7 h LYS 20 Cb -0.09 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1jm7 h LYS 20 CO -0.06 0.17 -0.39 0.82 -0.57 0.00 0.00 179.45 179.41 1jm7 h ILE 21 N 0.07 1.21 -0.52 1.86 2.04 -1.25 -2.89 117.51 118.03 1jm7 h ILE 21 Ca 0.02 -1.38 -0.32 0.00 1.00 0.00 0.00 64.86 64.18 1jm7 h ILE 21 Cb 0.20 1.76 -0.19 0.00 -0.74 0.00 0.00 36.82 37.85 1jm7 h ILE 21 CO 0.01 0.39 -0.06 0.18 0.00 0.00 0.00 178.15 178.67 1jm7 n LEU 22 N -3.97 4.81 0.00 1.44 7.99 -0.60 -5.01 117.00 121.66 1jm7 n LEU 22 Ca -0.02 -3.99 0.00 0.00 -0.01 0.00 0.00 56.01 51.99 1jm7 n LEU 22 Cb 0.44 -0.64 0.00 0.00 -0.11 0.00 0.00 43.42 43.10 1jm7 n LEU 22 CO 0.39 1.42 0.00 1.21 -1.51 0.00 0.00 177.39 178.90 1jm7 n GLU 23 N -1.04 1.01 -5.03 3.23 2.13 -0.84 -3.87 120.64 116.23 1jm7 n GLU 23 Ca 0.40 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.90 1jm7 n GLU 23 Cb 1.03 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.59 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 2.49 2.35 0.05 0.00 -0.04 -1.26 -3.61 135.00 134.98 1jm7 n PRO 25 Ca -0.17 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.50 1jm7 n PRO 25 Cb 0.52 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 0.83 0.02 0.72 0.52 -6.64 -1.26 -4.91 119.36 108.64 1jm7 n ILE 26 Ca 0.16 0.01 0.08 0.00 -1.77 0.00 0.00 62.75 61.23 1jm7 n ILE 26 Cb 0.48 -0.54 0.05 0.00 -1.44 0.00 0.00 39.64 38.19 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 0.60 -2.10 -4.39 0.00 7.99 -1.24 -4.97 117.00 112.89 1jm7 n LEU 28 Ca 0.09 -0.11 -0.35 0.00 -0.01 0.00 0.00 56.01 55.64 1jm7 n LEU 28 Cb 0.40 -2.84 -0.13 0.00 -0.11 0.00 0.00 43.42 40.74 1jm7 n LEU 28 CO 0.14 -0.04 -0.36 -1.61 -1.51 0.00 0.00 177.39 174.02 1jm7 s GLU 29 N -5.32 3.52 -0.78 3.23 2.02 -1.26 -4.67 118.70 115.44 1jm7 s GLU 29 Ca 0.12 -0.57 -0.27 0.00 0.02 0.00 0.00 54.97 54.28 1jm7 s GLU 29 Cb -0.06 -3.03 -0.18 0.00 0.10 0.00 0.00 34.13 30.97 1jm7 s GLU 29 CO 0.15 -0.05 2.18 1.28 0.02 0.00 0.00 175.26 178.84 1jm7 n LEU 30 N 4.40 0.29 -4.55 1.80 7.99 -1.26 -4.17 117.00 121.49 1jm7 n LEU 30 Ca -0.18 0.20 -0.49 0.00 -0.01 0.00 0.00 56.01 55.54 1jm7 n LEU 30 Cb 0.52 -0.76 -0.06 0.00 -0.11 0.00 0.00 43.42 43.01 1jm7 n LEU 30 CO 0.30 -0.60 1.70 2.30 -1.51 0.00 0.00 177.39 179.59 1jm7 n ILE 31 N 6.11 0.33 0.01 -0.08 -6.64 -1.25 -4.84 119.36 113.00 1jm7 n ILE 31 Ca 0.54 -0.25 -0.21 0.00 -1.77 0.00 0.00 62.75 61.06 1jm7 n ILE 31 Cb 0.02 -1.85 -0.14 0.00 -1.44 0.00 0.00 39.64 36.23 1jm7 n ILE 31 CO 0.00 0.00 0.00 0.50 -1.77 0.00 0.00 176.55 175.28 1jm7 h LYS 32 N 11.76 0.26 -3.76 6.28 1.63 -1.85 -3.43 116.57 127.47 1jm7 h LYS 32 Ca -0.36 -0.45 -0.77 0.00 -0.85 0.00 0.00 60.65 58.22 1jm7 h LYS 32 Cb 1.29 0.17 -0.28 0.00 -0.60 0.00 0.00 32.23 32.81 1jm7 h LYS 32 CO 0.99 1.18 0.04 -1.21 -3.45 0.00 0.00 179.45 176.99 1jm7 s GLU 33 N -2.56 3.46 -0.47 1.90 8.01 -1.26 -4.82 118.70 122.95 1jm7 s GLU 33 Ca -0.20 -2.55 -0.27 0.00 0.01 0.00 0.00 54.97 51.96 1jm7 s GLU 33 Cb 0.07 -4.31 -0.05 0.00 -4.31 0.00 0.00 34.13 25.53 1jm7 s GLU 33 CO 0.78 -1.27 2.21 -1.25 0.01 0.00 0.00 175.26 175.75 1jm7 s PRO 34 N -0.01 2.45 -0.16 0.39 0.04 -1.25 -3.61 135.00 132.85 1jm7 s PRO 34 Ca 0.19 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1jm7 s PRO 34 Cb -0.12 -4.48 -0.00 0.00 0.04 0.00 0.00 34.50 29.94 1jm7 s PRO 34 CO -0.08 -2.89 -0.15 0.54 0.04 0.00 0.00 177.00 174.46 1jm7 s VAL 35 N 10.57 2.71 -0.24 -0.36 0.11 -1.15 -1.91 120.40 130.12 1jm7 s VAL 35 Ca 0.89 -0.76 -0.28 0.00 -2.93 0.00 0.00 61.98 58.91 1jm7 s VAL 35 Cb -0.18 -2.14 0.01 0.00 -1.53 0.00 0.00 36.38 32.53 1jm7 s VAL 35 CO 0.26 0.51 0.98 -0.94 -3.33 0.00 0.00 175.10 172.58 1jm7 s SER 36 N 0.81 7.00 0.56 3.54 1.04 -1.12 -2.18 113.70 123.35 1jm7 s SER 36 Ca -0.05 1.23 -0.06 0.00 0.48 0.00 0.00 55.95 57.55 1jm7 s SER 36 Cb -0.15 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.45 1jm7 s SER 36 CO 0.00 -0.65 0.88 0.42 0.98 0.00 0.00 173.24 174.87 1jm7 s THR 37 N 3.14 4.13 0.58 2.02 -4.23 0.28 -2.94 115.64 118.61 1jm7 s THR 37 Ca 0.41 0.14 0.32 0.00 -1.18 0.00 0.00 61.69 61.38 1jm7 s THR 37 Cb -0.15 -3.62 0.46 0.00 1.34 0.00 0.00 72.50 70.54 1jm7 s THR 37 CO 0.07 -0.64 1.73 0.50 -0.54 0.00 0.00 174.62 175.74 1jm7 h LYS 38 N -0.07 0.00 -0.86 3.99 3.11 -1.65 0.91 116.57 122.00 1jm7 h LYS 38 Ca -0.46 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.19 1jm7 h LYS 38 Cb 1.23 0.00 -0.12 0.00 -1.00 0.00 0.00 32.23 32.35 1jm7 h LYS 38 CO 0.61 0.00 0.25 0.00 -2.81 0.00 0.00 179.45 177.50 1jm7 n ASP 40 N -0.14 -2.56 -4.37 0.00 9.92 0.31 -4.99 116.55 114.72 1jm7 n ASP 40 Ca 0.32 -0.81 -0.24 0.00 -0.53 0.00 0.00 54.79 53.53 1jm7 n ASP 40 Cb 1.14 -3.97 -0.11 0.00 -0.64 0.00 0.00 41.12 37.53 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 -3.54 2.02 0.09 1.24 3.76 -1.21 -4.84 115.29 112.81 1jm7 s HIS 41 Ca 0.26 -0.42 -0.02 0.00 -0.15 0.00 0.00 55.06 54.73 1jm7 s HIS 41 Cb -0.13 -1.01 -0.05 0.00 1.11 0.00 0.00 32.58 32.51 1jm7 s HIS 41 CO 0.82 0.40 0.28 0.42 -0.85 0.00 0.00 174.74 175.81 1jm7 s ILE 42 N -1.85 5.30 0.25 0.60 -1.09 -1.25 0.10 121.20 123.26 1jm7 s ILE 42 Ca 0.17 -0.20 -0.02 0.00 -2.23 0.00 0.00 60.65 58.37 1jm7 s ILE 42 Cb -0.07 -3.62 0.01 0.00 -1.58 0.00 0.00 42.46 37.20 1jm7 s ILE 42 CO 0.08 0.10 0.37 0.49 -1.23 0.00 0.00 174.94 174.75 1jm7 n PHE 43 N 0.23 -1.23 -1.00 3.97 3.01 -0.92 -4.82 117.46 116.70 1jm7 n PHE 43 Ca -0.04 -1.63 -0.01 0.00 1.01 0.00 0.00 57.45 56.77 1jm7 n PHE 43 Cb 0.51 0.42 0.35 0.00 -0.01 0.00 0.00 39.48 40.74 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 0.13 0.00 0.04 0.00 4.76 -1.24 -4.16 118.16 117.70 1jm7 n LYS 45 Ca 0.36 0.00 0.18 0.00 -2.87 0.00 0.00 58.31 55.98 1jm7 n LYS 45 Cb 1.32 0.00 0.67 0.00 -1.84 0.00 0.00 35.03 35.19 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 0.02 -0.70 2.13 3.04 -1.93 -0.41 116.94 119.09 1jm7 h PHE 46 Ca 0.00 0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.01 1jm7 h PHE 46 Cb 0.00 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.46 1jm7 h PHE 46 CO 0.00 0.01 0.46 0.00 -2.02 0.00 0.00 178.31 176.76 1jm7 h MET 48 N 0.76 1.13 0.53 0.00 2.86 -1.42 0.25 114.93 119.04 1jm7 h MET 48 Ca 0.30 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1jm7 h MET 48 Cb 0.20 -0.20 0.01 0.00 0.06 0.00 0.00 31.60 31.67 1jm7 h MET 48 CO -0.09 0.88 -0.26 -0.07 1.06 0.00 0.00 176.91 178.43 1jm7 h LEU 49 N 1.11 -0.60 -0.82 1.22 3.38 -1.36 0.19 115.31 118.43 1jm7 h LEU 49 Ca 0.27 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 1jm7 h LEU 49 Cb 0.12 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1jm7 h LEU 49 CO -0.03 -0.38 0.32 0.11 0.09 0.00 0.00 178.44 178.54 1jm7 h LYS 50 N -0.78 1.19 -0.42 1.13 6.56 -1.39 0.15 116.57 123.01 1jm7 h LYS 50 Ca -0.07 -0.22 -0.07 0.00 -1.06 0.00 0.00 60.65 59.24 1jm7 h LYS 50 Cb 0.58 -0.19 -0.02 0.00 -0.57 0.00 0.00 32.23 32.02 1jm7 h LYS 50 CO 0.12 0.96 -0.01 1.25 -2.06 0.00 0.00 179.45 179.71 1jm7 h LEU 51 N 1.16 0.65 -0.04 2.94 5.85 -0.39 0.82 115.31 126.30 1jm7 h LEU 51 Ca 0.27 -0.15 -0.22 0.00 0.84 0.00 0.00 57.88 58.61 1jm7 h LEU 51 Cb 0.22 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1jm7 h LEU 51 CO -0.02 0.73 -1.04 -0.07 -0.34 0.00 0.00 178.44 177.70 1jm7 h LEU 52 N 0.64 0.19 0.02 2.25 4.07 -0.18 -3.29 115.31 119.01 1jm7 h LEU 52 Ca 0.13 -0.19 -0.24 0.00 0.08 0.00 0.00 57.88 57.66 1jm7 h LEU 52 Cb 0.42 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.07 1jm7 h LEU 52 CO 0.02 1.10 -1.22 0.78 -1.08 0.00 0.00 178.44 178.03 1jm7 h ASN 53 N 0.05 0.08 -1.92 -0.43 2.35 -0.42 -3.44 115.58 111.84 1jm7 h ASN 53 Ca -0.06 -0.09 -0.59 0.00 -0.55 0.00 0.00 56.30 55.02 1jm7 h ASN 53 Cb 1.75 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 40.10 1jm7 h ASN 53 CO 0.15 1.08 1.51 1.67 -1.65 0.00 0.00 177.43 180.18 1jm7 n GLN 54 N -3.31 1.87 -1.46 0.81 7.27 0.28 -4.60 117.38 118.24 1jm7 n GLN 54 Ca -0.06 0.49 0.09 0.00 0.07 0.00 0.00 57.00 57.59 1jm7 n GLN 54 Cb 0.98 -3.23 -0.05 0.00 2.41 0.00 0.00 30.24 30.35 1jm7 n GLN 54 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1jm7 n LYS 55 N 8.77 -3.60 -2.30 3.69 4.81 -1.26 -4.78 118.16 123.49 1jm7 n LYS 55 Ca 0.31 2.87 -0.42 0.00 -0.87 0.00 0.00 58.31 60.20 1jm7 n LYS 55 Cb 0.45 -3.83 -0.03 0.00 0.02 0.00 0.00 35.03 31.64 1jm7 n LYS 55 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1jm7 s LYS 56 N -4.81 4.41 0.00 1.64 2.47 -1.26 -4.88 119.74 117.30 1jm7 s LYS 56 Ca 0.00 1.94 0.00 0.00 -1.56 0.00 0.00 55.97 56.35 1jm7 s LYS 56 Cb 0.00 -3.26 0.00 0.00 -1.46 0.00 0.00 37.83 33.11 1jm7 s LYS 56 CO 0.00 -0.26 0.00 0.41 0.16 0.00 0.00 175.35 175.66 1jm7 n GLY 57 N 2.83 2.88 1.01 5.54 0.00 -1.26 -5.11 105.19 111.08 1jm7 n GLY 57 Ca 0.08 -2.01 -0.07 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.27 -1.31 0.09 1.61 -0.02 -1.26 -4.85 135.00 127.99 1jm7 n PRO 58 Ca 0.00 -0.33 -0.17 0.00 -2.02 0.00 0.00 63.50 60.98 1jm7 n PRO 58 Cb 0.00 -0.54 -0.14 0.00 -0.02 0.00 0.00 33.50 32.80 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 -2.15 0.45 -4.72 2.55 4.64 -1.75 -3.44 113.55 109.13 1jm7 h SER 59 Ca -0.09 -0.55 0.01 0.00 -0.47 0.00 0.00 61.79 60.69 1jm7 h SER 59 Cb 0.30 -0.15 -0.11 0.00 -0.31 0.00 0.00 62.40 62.13 1jm7 h SER 59 CO 0.05 1.44 -1.38 0.00 -0.87 0.00 0.00 176.83 176.08 1jm7 n GLN 60 N -3.52 -4.14 -1.49 4.77 6.02 -1.25 -4.75 117.38 113.02 1jm7 n GLN 60 Ca -0.13 3.16 -0.47 0.00 -0.01 0.00 0.00 57.00 59.55 1jm7 n GLN 60 Cb 1.04 -4.57 -0.06 0.00 1.02 0.00 0.00 30.24 27.67 1jm7 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jm7 n PRO 62 N 8.44 0.97 -0.10 0.00 -0.04 -1.26 -1.65 135.00 141.36 1jm7 n PRO 62 Ca 0.40 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.72 1jm7 n PRO 62 Cb 0.30 -1.26 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.76 1.26 0.00 1.53 4.32 -1.26 -4.90 117.00 117.19 1jm7 n LEU 63 Ca 0.12 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 1jm7 n LEU 63 Cb 0.05 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 1jm7 n LEU 63 CO 0.09 0.66 0.00 0.00 -1.22 0.00 0.00 177.39 176.92 1jm7 n LYS 65 N -1.01 0.11 -1.41 0.00 5.02 -1.17 -5.09 118.16 114.61 1jm7 n LYS 65 Ca 0.00 -0.67 0.00 0.00 -2.02 0.00 0.00 58.31 55.62 1jm7 n LYS 65 Cb 0.00 -0.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.87 1jm7 n LYS 65 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jm7 n ASN 66 N 0.83 -7.67 0.00 4.39 3.02 -0.66 -4.87 115.26 110.29 1jm7 n ASN 66 Ca -0.04 1.05 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 1jm7 n ASN 66 Cb 0.74 -3.81 0.00 0.00 -0.61 0.00 0.00 39.78 36.10 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 -0.21 0.00 -3.89 6.41 8.00 -1.26 -4.62 116.55 120.97 1jm7 n ASP 67 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 1jm7 n ASP 67 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 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 0.08 0.39 0.53 1.01 -1.26 -4.03 121.20 117.92 1jm7 s ILE 68 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 60.65 59.42 1jm7 s ILE 68 Cb 0.00 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.83 1jm7 s ILE 68 CO 0.00 -0.38 0.00 0.35 0.00 0.00 0.00 174.94 174.91 1jm7 n THR 69 N -0.18 0.00 0.00 2.92 -2.24 -1.26 -3.60 114.28 109.92 1jm7 n THR 69 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1jm7 n THR 69 Cb 0.63 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1jm7 n THR 69 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1jm7 n LYS 70 N -3.35 0.00 -1.52 -0.78 0.00 -1.26 -4.34 118.16 106.92 1jm7 n LYS 70 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 58.31 57.95 1jm7 n LYS 70 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 1jm7 n LYS 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1jm7 n ARG 71 N -1.83 1.42 -1.35 1.64 5.12 -1.26 -3.71 116.66 116.70 1jm7 n ARG 71 Ca 0.00 -2.06 -0.01 0.00 -1.93 0.00 0.00 57.85 53.85 1jm7 n ARG 71 Cb 0.00 -3.27 0.01 0.00 -1.16 0.00 0.00 32.46 28.04 1jm7 n ARG 71 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1jm7 n SER 72 N 10.85 -0.20 -4.28 0.55 7.64 -1.26 -5.06 113.62 121.85 1jm7 n SER 72 Ca 0.47 -0.92 -0.29 0.00 1.01 0.00 0.00 58.87 59.15 1jm7 n SER 72 Cb 0.43 0.09 -0.15 0.00 -1.01 0.00 0.00 64.21 63.57 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 -0.44 2.10 -0.29 -3.43 2.01 -1.24 -2.00 118.68 115.38 1jm7 s LEU 73 Ca 0.01 -0.48 0.02 0.00 0.01 0.00 0.00 54.13 53.68 1jm7 s LEU 73 Cb 0.05 -1.18 0.16 0.00 0.01 0.00 0.00 46.19 45.22 1jm7 s LEU 73 CO -0.01 0.26 0.40 -1.10 1.01 0.00 0.00 176.35 176.90 1jm7 s GLN 74 N -0.84 0.41 -0.47 1.70 -1.52 -1.15 -5.02 119.66 112.76 1jm7 s GLN 74 Ca 0.09 0.10 -0.26 0.00 -1.95 0.00 0.00 55.36 53.34 1jm7 s GLN 74 Cb -0.09 -0.34 -0.07 0.00 -0.22 0.00 0.00 33.01 32.29 1jm7 s GLN 74 CO 0.00 -1.04 2.40 -1.21 -0.25 0.00 0.00 175.29 175.19 1jm7 s GLU 75 N 2.52 2.17 0.18 2.91 8.01 -1.26 -2.80 118.70 130.44 1jm7 s GLU 75 Ca 0.10 1.46 0.03 0.00 0.01 0.00 0.00 54.97 56.57 1jm7 s GLU 75 Cb -0.12 -4.57 -0.03 0.00 -4.31 0.00 0.00 34.13 25.09 1jm7 s GLU 75 CO -0.31 -3.19 0.31 -1.54 0.01 0.00 0.00 175.26 170.54 1jm7 s SER 76 N 11.92 6.34 -0.97 -0.19 1.04 -0.80 -4.97 113.70 126.05 1jm7 s SER 76 Ca 0.98 0.15 -0.01 0.00 0.48 0.00 0.00 55.95 57.55 1jm7 s SER 76 Cb -0.18 -1.90 0.31 0.00 0.10 0.00 0.00 66.02 64.35 1jm7 s SER 76 CO 0.27 0.01 1.52 0.41 0.98 0.00 0.00 173.24 176.43 1jm7 n THR 77 N -0.81 5.23 -0.04 2.02 -1.04 -1.26 -4.44 114.28 113.93 1jm7 n THR 77 Ca -0.07 -5.87 -0.06 0.00 -2.04 0.00 0.00 64.05 56.00 1jm7 n THR 77 Cb 0.55 -1.79 -0.03 0.00 -1.82 0.00 0.00 70.33 67.24 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 0.53 0.16 -1.14 -2.82 1.74 -1.26 -4.69 116.66 109.18 1jm7 n ARG 78 Ca 0.36 0.05 -0.19 0.00 -0.77 0.00 0.00 57.85 57.30 1jm7 n ARG 78 Cb 0.31 -0.96 0.17 0.00 -1.02 0.00 0.00 32.46 30.96 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 -2.99 2.47 -0.07 -1.55 3.01 -1.26 -4.58 117.46 112.49 1jm7 n PHE 79 Ca -0.13 -1.92 -0.05 0.00 1.01 0.00 0.00 57.45 56.35 1jm7 n PHE 79 Cb 0.62 -0.85 -0.03 0.00 -0.01 0.00 0.00 39.48 39.21 1jm7 n PHE 79 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1jm7 h SER 80 N 1.15 0.00 0.28 4.37 4.64 -1.86 -3.29 113.55 118.83 1jm7 h SER 80 Ca 0.50 -0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.63 1jm7 h SER 80 Cb 2.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.31 1jm7 h SER 80 CO 0.93 0.76 -0.36 1.56 -0.87 0.00 0.00 176.83 178.85 1jm7 h GLN 81 N -1.00 0.13 -0.92 4.77 1.08 -1.92 -2.74 115.11 114.51 1jm7 h GLN 81 Ca -0.03 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1jm7 h GLN 81 Cb 0.45 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.83 1jm7 h GLN 81 CO -0.02 0.48 0.61 -0.07 -0.95 0.00 0.00 178.83 178.88 1jm7 h LEU 82 N 0.11 1.05 0.07 1.46 3.38 -1.81 0.82 115.31 120.40 1jm7 h LEU 82 Ca 0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1jm7 h LEU 82 Cb 0.70 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1jm7 h LEU 82 CO 0.05 0.75 -0.04 0.58 0.09 0.00 0.00 178.44 179.88 1jm7 h VAL 83 N 1.24 1.21 -0.43 1.22 2.07 -1.58 -2.22 116.25 117.76 1jm7 h VAL 83 Ca 0.34 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 1jm7 h VAL 83 Cb -0.12 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1jm7 h VAL 83 CO -0.08 0.28 0.13 -0.33 0.02 0.00 0.00 177.57 177.59 1jm7 h GLU 84 N -0.64 0.67 -0.88 1.57 4.39 -1.36 -2.77 114.58 115.55 1jm7 h GLU 84 Ca -0.01 -0.14 0.03 0.00 0.34 0.00 0.00 59.36 59.58 1jm7 h GLU 84 Cb 0.53 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.04 1jm7 h GLU 84 CO 0.02 0.65 0.58 0.93 -1.16 0.00 0.00 179.01 180.03 1jm7 h GLU 85 N 0.55 1.09 -0.97 2.33 5.08 0.59 -1.87 114.58 121.39 1jm7 h GLU 85 Ca 0.14 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1jm7 h GLU 85 Cb 0.26 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 1jm7 h GLU 85 CO -0.00 0.72 0.64 1.25 -1.00 0.00 0.00 179.01 180.61 1jm7 h LEU 86 N 1.12 1.08 -0.85 1.33 7.12 -1.12 -2.09 115.31 121.91 1jm7 h LEU 86 Ca 0.35 -0.02 0.01 0.00 0.13 0.00 0.00 57.88 58.35 1jm7 h LEU 86 Cb -0.00 -0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 39.82 1jm7 h LEU 86 CO -0.10 0.77 0.56 -0.07 -0.13 0.00 0.00 178.44 179.47 1jm7 h LEU 87 N 1.27 0.97 -1.38 2.25 -0.00 -1.18 -1.20 115.31 116.05 1jm7 h LEU 87 Ca 0.37 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 58.18 1jm7 h LEU 87 Cb -0.08 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.33 1jm7 h LEU 87 CO -0.10 0.70 -0.11 0.11 -0.00 0.00 0.00 178.44 179.05 1jm7 h LYS 88 N 1.15 0.28 -0.15 1.13 1.79 -1.25 0.31 116.57 119.82 1jm7 h LYS 88 Ca 0.32 -0.06 -0.17 0.00 -2.18 0.00 0.00 60.65 58.55 1jm7 h LYS 88 Cb -0.12 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 30.50 1jm7 h LYS 88 CO -0.07 0.40 -0.56 0.82 -1.08 0.00 0.00 179.45 178.95 1jm7 h ILE 89 N 0.27 1.32 -0.06 1.86 2.04 -0.92 -2.42 117.51 119.59 1jm7 h ILE 89 Ca 0.06 -1.82 -0.19 0.00 1.00 0.00 0.00 64.86 63.91 1jm7 h ILE 89 Cb 0.36 2.01 0.01 0.00 -0.74 0.00 0.00 36.82 38.47 1jm7 h ILE 89 CO 0.02 0.56 -0.71 0.40 0.00 0.00 0.00 178.15 178.42 1jm7 h ILE 90 N 0.33 1.34 -0.75 -0.67 2.04 -0.99 -2.79 117.51 116.01 1jm7 h ILE 90 Ca -0.03 -2.02 0.00 0.00 1.00 0.00 0.00 64.86 63.82 1jm7 h ILE 90 Cb 1.19 2.30 -0.04 0.00 -0.74 0.00 0.00 36.82 39.53 1jm7 h ILE 90 CO 0.12 0.61 0.47 0.00 0.00 0.00 0.00 178.15 179.36 1jm7 h ALA 92 N 1.50 0.76 0.09 0.00 0.00 -1.46 -2.87 119.26 117.28 1jm7 h ALA 92 Ca 0.27 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1jm7 h ALA 92 Cb -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1jm7 h ALA 92 CO -0.06 0.66 -0.11 0.35 0.00 0.00 0.00 179.25 180.09 1jm7 h PHE 93 N 0.54 -0.29 -0.11 0.00 3.57 -1.12 -1.98 116.94 117.55 1jm7 h PHE 93 Ca 0.04 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1jm7 h PHE 93 Cb 0.95 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1jm7 h PHE 93 CO 0.04 -0.17 0.05 1.96 -2.23 0.00 0.00 178.31 177.97 1jm7 h GLN 94 N -0.24 0.15 -0.10 1.11 4.20 -1.49 0.58 115.11 119.33 1jm7 h GLN 94 Ca 0.01 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1jm7 h GLN 94 Cb 0.24 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1jm7 h GLN 94 CO -0.05 0.12 -0.13 1.25 -0.67 0.00 0.00 178.83 179.36 1jm7 h LEU 95 N 0.16 0.14 0.00 1.46 5.85 -1.13 -1.49 115.31 120.30 1jm7 h LEU 95 Ca 0.04 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1jm7 h LEU 95 Cb 0.02 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1jm7 h LEU 95 CO -0.01 0.29 -0.05 -0.67 -0.34 0.00 0.00 178.44 177.67 1jm7 n ASP 96 N -4.31 0.12 -0.18 1.25 -0.08 -0.48 -4.75 116.55 108.11 1jm7 n ASP 96 Ca -0.01 0.02 -0.09 0.00 -1.51 0.00 0.00 54.79 53.19 1jm7 n ASP 96 Cb 0.25 -0.40 0.01 0.00 2.34 0.00 0.00 41.12 43.32 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 -0.05 1.26 -1.80 5.18 1.35 -0.07 -3.42 112.91 115.36 1jm7 h THR 97 Ca 0.00 -1.04 -0.33 0.00 -0.55 0.00 0.00 66.41 64.49 1jm7 h THR 97 Cb 0.05 0.90 -0.06 0.00 -1.73 0.00 0.00 68.15 67.32 1jm7 h THR 97 CO 0.00 0.37 -0.38 0.61 -0.25 0.00 0.00 175.52 175.87 1jm7 n GLY 98 N -0.44 0.38 3.84 5.82 0.00 -0.56 -4.81 105.19 109.41 1jm7 n GLY 98 Ca 0.01 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 1jm7 n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jm7 s LEU 99 N -4.39 3.83 0.22 0.99 1.43 -1.26 -4.96 118.68 114.54 1jm7 s LEU 99 Ca 0.00 1.48 -0.31 0.00 -1.03 0.00 0.00 54.13 54.27 1jm7 s LEU 99 Cb 0.00 -4.36 -0.10 0.00 0.03 0.00 0.00 46.19 41.76 1jm7 s LEU 99 CO 0.00 -0.42 1.52 -1.61 0.23 0.00 0.00 176.35 176.07 1jm7 s GLU 100 N -3.57 4.22 0.47 1.70 2.02 -1.26 -4.78 118.70 117.50 1jm7 s GLU 100 Ca 0.58 2.37 0.07 0.00 0.02 0.00 0.00 54.97 58.00 1jm7 s GLU 100 Cb -0.10 -3.12 0.03 0.00 0.10 0.00 0.00 34.13 31.04 1jm7 s GLU 100 CO 0.23 -0.53 0.64 -0.47 0.02 0.00 0.00 175.26 175.16 1jm7 s TYR 101 N 0.49 2.58 0.00 1.61 5.04 -1.26 -5.06 117.35 120.75 1jm7 s TYR 101 Ca 0.64 -0.39 -0.03 0.00 -2.44 0.00 0.00 57.07 54.85 1jm7 s TYR 101 Cb -0.44 -2.42 -0.02 0.00 0.35 0.00 0.00 41.96 39.43 1jm7 s TYR 101 CO 0.39 -0.63 1.04 0.00 -1.34 0.00 0.00 175.55 175.01 1jm7 h ALA 102 N 0.46 -1.03 0.00 3.97 0.00 -1.99 -3.55 119.26 117.13 1jm7 h ALA 102 Ca -0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1jm7 h ALA 102 Cb 1.28 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1jm7 h ALA 102 CO 0.45 -1.02 0.00 -1.71 0.00 0.00 0.00 179.25 176.97