#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 0.06 -0.74 6.12 1.11 -1.26 -4.51 116.67 117.45 1jm7 s ASP 2 Ca 0.00 -0.57 -0.00 0.00 0.18 0.00 0.00 52.55 52.16 1jm7 s ASP 2 Cb 0.00 0.36 0.37 0.00 1.07 0.00 0.00 42.92 44.72 1jm7 s ASP 2 CO 0.00 -0.73 1.82 0.00 1.18 0.00 0.00 175.17 177.44 1jm7 n LEU 3 N -0.01 6.89 0.00 1.23 -0.00 -1.26 -4.78 117.00 119.06 1jm7 n LEU 3 Ca -0.16 -4.89 0.00 0.00 -0.00 0.00 0.00 56.01 50.96 1jm7 n LEU 3 Cb 0.62 -0.92 0.00 0.00 -0.00 0.00 0.00 43.42 43.12 1jm7 n LEU 3 CO 0.22 1.85 0.00 -1.20 -0.00 0.00 0.00 177.39 178.26 1jm7 n SER 4 N -0.55 -0.70 -1.82 1.45 7.64 -1.26 -3.63 113.62 114.74 1jm7 n SER 4 Ca 0.51 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 60.22 1jm7 n SER 4 Cb 0.36 -0.57 -0.05 0.00 -1.01 0.00 0.00 64.21 62.94 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 1.00 -0.41 -0.10 -0.43 0.00 -1.26 -4.80 120.51 114.51 1jm7 n ALA 5 Ca 0.00 0.22 0.25 0.00 0.00 0.00 0.00 53.44 53.92 1jm7 n ALA 5 Cb 0.02 -1.76 0.72 0.00 0.00 0.00 0.00 19.45 18.42 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 -5.00 0.00 -0.00 -2.00 -3.37 115.31 104.94 1jm7 h LEU 6 Ca -0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.51 1jm7 h LEU 6 Cb 1.17 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.69 1jm7 h LEU 6 CO 0.49 0.00 -0.02 -1.14 -0.00 0.00 0.00 178.44 177.77 1jm7 n ARG 7 N -4.23 0.03 -0.08 0.17 0.63 -1.26 -5.05 116.66 106.86 1jm7 n ARG 7 Ca 0.15 -0.56 -0.15 0.00 -0.92 0.00 0.00 57.85 56.36 1jm7 n ARG 7 Cb 0.83 0.15 -0.07 0.00 0.45 0.00 0.00 32.46 33.82 1jm7 n ARG 7 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1jm7 n VAL 8 N 1.97 0.92 0.00 5.15 0.31 -1.26 -4.24 118.33 121.18 1jm7 n VAL 8 Ca 0.05 -0.28 0.04 0.00 -0.01 0.00 0.00 64.34 64.14 1jm7 n VAL 8 Cb 0.69 -1.46 0.43 0.00 -0.91 0.00 0.00 33.84 32.59 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 -0.37 0.52 0.33 5.55 4.11 -1.97 -0.26 114.58 122.49 1jm7 h GLU 9 Ca -0.40 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 58.98 1jm7 h GLU 9 Cb 1.44 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1jm7 h GLU 9 CO -0.18 0.34 -0.16 0.93 0.07 0.00 0.00 179.01 180.02 1jm7 h GLU 10 N 0.53 -0.42 -1.00 1.06 4.39 -1.98 -3.00 114.58 114.16 1jm7 h GLU 10 Ca 0.15 0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.92 1jm7 h GLU 10 Cb -0.04 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.65 1jm7 h GLU 10 CO -0.03 -0.09 0.65 0.28 -1.16 0.00 0.00 179.01 178.65 1jm7 h VAL 11 N -0.85 1.16 -0.72 3.13 2.07 -1.69 -2.25 116.25 117.11 1jm7 h VAL 11 Ca -0.04 -0.43 0.11 0.00 0.82 0.00 0.00 66.70 67.16 1jm7 h VAL 11 Cb 0.52 -0.20 -0.08 0.00 -1.52 0.00 0.00 31.29 30.02 1jm7 h VAL 11 CO 0.07 0.23 0.32 -0.61 0.02 0.00 0.00 177.57 177.61 1jm7 h GLN 12 N 1.25 0.51 -0.00 1.57 -0.00 -1.06 0.73 115.11 118.10 1jm7 h GLN 12 Ca 0.40 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.65 58.96 1jm7 h GLN 12 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 27.38 1jm7 h GLN 12 CO -0.13 0.34 -0.27 -0.91 0.00 0.00 0.00 178.83 177.85 1jm7 h ASN 13 N 0.52 0.01 0.39 -0.69 -0.26 -1.26 -2.28 115.58 112.01 1jm7 h ASN 13 Ca 0.37 -0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 56.03 1jm7 h ASN 13 Cb 0.47 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.71 1jm7 h ASN 13 CO -0.32 0.28 -0.39 0.58 -1.06 0.00 0.00 177.43 176.52 1jm7 h VAL 14 N 0.01 1.28 0.13 2.81 2.07 -0.65 -2.40 116.25 119.51 1jm7 h VAL 14 Ca -0.00 -1.33 -0.28 0.00 0.82 0.00 0.00 66.70 65.90 1jm7 h VAL 14 Cb 0.49 1.72 0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1jm7 h VAL 14 CO 0.04 0.38 -1.25 0.40 0.02 0.00 0.00 177.57 177.16 1jm7 h ILE 15 N 0.00 1.44 0.18 4.57 1.08 -0.90 -3.01 117.51 120.87 1jm7 h ILE 15 Ca -0.00 -2.89 -0.01 0.00 -0.39 0.00 0.00 64.86 61.56 1jm7 h ILE 15 Cb 0.69 2.88 0.00 0.00 -3.07 0.00 0.00 36.82 37.32 1jm7 h ILE 15 CO 0.05 0.85 -0.09 -1.13 -0.69 0.00 0.00 178.15 177.15 1jm7 h ASN 16 N 0.12 -0.21 -0.66 1.72 -1.24 -1.31 -2.38 115.58 111.62 1jm7 h ASN 16 Ca -0.15 -0.18 0.04 0.00 0.71 0.00 0.00 56.30 56.71 1jm7 h ASN 16 Cb 1.95 0.05 -0.05 0.00 0.73 0.00 0.00 38.32 41.01 1jm7 h ASN 16 CO 0.21 0.07 0.40 0.00 -1.29 0.00 0.00 177.43 176.83 1jm7 h ALA 17 N 0.27 0.87 -0.33 1.57 0.00 -1.56 -2.26 119.26 117.81 1jm7 h ALA 17 Ca -0.02 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1jm7 h ALA 17 Cb 0.38 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1jm7 h ALA 17 CO 0.04 0.13 0.08 1.98 0.00 0.00 0.00 179.25 181.49 1jm7 h MET 18 N 0.77 0.20 -0.66 0.00 1.85 -1.49 -1.62 114.93 113.99 1jm7 h MET 18 Ca 0.28 -0.01 0.02 0.00 -0.61 0.00 0.00 59.70 59.38 1jm7 h MET 18 Cb 0.07 -0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.02 1jm7 h MET 18 CO -0.13 0.14 0.44 0.37 -0.40 0.00 0.00 176.91 177.32 1jm7 h GLN 19 N 0.21 0.80 -0.24 0.39 4.15 -1.02 -1.14 115.11 118.26 1jm7 h GLN 19 Ca 0.16 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 1jm7 h GLN 19 Cb 0.16 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1jm7 h GLN 19 CO -0.19 0.53 0.02 0.87 -1.93 0.00 0.00 178.83 178.13 1jm7 h LYS 20 N 0.83 0.34 -0.03 1.69 1.57 -0.74 -0.70 116.57 119.53 1jm7 h LYS 20 Ca 0.26 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 1jm7 h LYS 20 Cb 0.01 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1jm7 h LYS 20 CO -0.07 0.35 -0.42 0.82 -0.57 0.00 0.00 179.45 179.57 1jm7 h ILE 21 N 0.34 1.31 -0.44 1.86 2.04 -0.76 -2.89 117.51 118.96 1jm7 h ILE 21 Ca 0.08 -1.48 -0.24 0.00 1.00 0.00 0.00 64.86 64.22 1jm7 h ILE 21 Cb 0.19 1.76 -0.14 0.00 -0.74 0.00 0.00 36.82 37.89 1jm7 h ILE 21 CO 0.00 0.43 -0.01 0.18 0.00 0.00 0.00 178.15 178.75 1jm7 n LEU 22 N -4.03 4.50 0.00 1.44 4.77 -0.68 -5.01 117.00 118.00 1jm7 n LEU 22 Ca -0.02 -3.81 0.00 0.00 -0.03 0.00 0.00 56.01 52.15 1jm7 n LEU 22 Cb 0.46 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1jm7 n LEU 22 CO 0.40 1.28 0.00 1.21 -1.33 0.00 0.00 177.39 178.95 1jm7 n GLU 23 N -1.12 0.94 -4.73 3.23 2.13 -0.36 -4.17 120.64 116.57 1jm7 n GLU 23 Ca 0.37 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.86 1jm7 n GLU 23 Cb 1.10 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.69 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 2.41 2.61 0.03 0.00 -0.04 -1.26 -3.66 135.00 135.09 1jm7 n PRO 25 Ca -0.18 -1.94 0.00 0.00 -0.04 0.00 0.00 63.50 61.34 1jm7 n PRO 25 Cb 0.53 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.84 0.00 0.67 0.52 -6.64 -1.26 -4.80 119.36 108.69 1jm7 n ILE 26 Ca 0.18 0.00 0.08 0.00 -1.77 0.00 0.00 62.75 61.23 1jm7 n ILE 26 Cb 0.57 -0.47 0.01 0.00 -1.44 0.00 0.00 39.64 38.31 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 0.09 -2.36 -4.39 0.00 7.99 -1.24 -4.98 117.00 112.11 1jm7 n LEU 28 Ca 0.07 -0.19 -0.34 0.00 -0.01 0.00 0.00 56.01 55.55 1jm7 n LEU 28 Cb 0.34 -2.92 -0.14 0.00 -0.11 0.00 0.00 43.42 40.59 1jm7 n LEU 28 CO 0.17 0.07 -0.40 -1.61 -1.51 0.00 0.00 177.39 174.11 1jm7 s GLU 29 N -5.48 3.47 -0.93 3.23 0.41 -1.26 -4.70 118.70 113.44 1jm7 s GLU 29 Ca 0.20 -0.62 -0.28 0.00 -0.41 0.00 0.00 54.97 53.86 1jm7 s GLU 29 Cb -0.09 -2.82 -0.21 0.00 -1.78 0.00 0.00 34.13 29.23 1jm7 s GLU 29 CO 0.24 0.11 2.49 -0.11 -0.49 0.00 0.00 175.26 177.51 1jm7 n LEU 30 N 3.88 0.19 -4.59 1.80 7.94 -1.26 -4.19 117.00 120.76 1jm7 n LEU 30 Ca -0.18 0.13 -0.49 0.00 -1.11 0.00 0.00 56.01 54.36 1jm7 n LEU 30 Cb 0.52 -0.84 -0.05 0.00 0.53 0.00 0.00 43.42 43.58 1jm7 n LEU 30 CO 0.31 -0.70 0.83 2.30 -1.11 0.00 0.00 177.39 179.01 1jm7 n ILE 31 N 6.91 0.54 -0.12 1.96 -5.35 -1.26 -4.91 119.36 117.13 1jm7 n ILE 31 Ca 0.62 -0.14 -0.22 0.00 -0.27 0.00 0.00 62.75 62.75 1jm7 n ILE 31 Cb 0.03 -0.91 -0.09 0.00 -1.74 0.00 0.00 39.64 36.93 1jm7 n ILE 31 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1jm7 n LYS 32 N 2.13 0.52 -3.33 6.28 5.02 -1.26 -4.73 118.16 122.78 1jm7 n LYS 32 Ca 0.16 0.18 -0.38 0.00 -2.02 0.00 0.00 58.31 56.26 1jm7 n LYS 32 Cb 0.23 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 1jm7 n LYS 32 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1jm7 n GLU 33 N -3.71 3.40 -1.68 1.97 1.02 -1.26 -4.90 120.64 115.48 1jm7 n GLU 33 Ca -0.44 -4.54 -0.45 0.00 -0.02 0.00 0.00 57.16 51.71 1jm7 n GLU 33 Cb 0.86 -2.44 -0.04 0.00 -0.02 0.00 0.00 31.44 29.81 1jm7 n GLU 33 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1jm7 n PRO 34 N 1.72 2.40 -4.59 3.49 -0.04 -1.24 -2.52 135.00 134.21 1jm7 n PRO 34 Ca 0.25 0.87 -0.28 0.00 -0.04 0.00 0.00 63.50 64.31 1jm7 n PRO 34 Cb 0.37 -2.70 -0.08 0.00 -0.04 0.00 0.00 33.50 31.04 1jm7 n PRO 34 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1jm7 s VAL 35 N 2.08 0.93 -0.18 0.52 -7.23 -0.97 -4.02 120.40 111.53 1jm7 s VAL 35 Ca 0.82 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 1jm7 s VAL 35 Cb -0.61 -2.38 0.04 0.00 0.56 0.00 0.00 36.38 33.99 1jm7 s VAL 35 CO 0.40 0.00 -0.07 -0.94 -0.31 0.00 0.00 175.10 174.18 1jm7 s SER 36 N -3.68 3.12 0.52 4.85 1.04 -1.02 -3.24 113.70 115.28 1jm7 s SER 36 Ca 0.20 -0.79 -0.09 0.00 0.48 0.00 0.00 55.95 55.76 1jm7 s SER 36 Cb 0.03 -1.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.07 1jm7 s SER 36 CO 0.11 -0.18 0.88 0.42 0.98 0.00 0.00 173.24 175.46 1jm7 s THR 37 N 1.53 4.80 0.59 2.02 -4.23 0.61 -0.99 115.64 119.96 1jm7 s THR 37 Ca -0.01 0.56 0.30 0.00 -1.18 0.00 0.00 61.69 61.37 1jm7 s THR 37 Cb -0.16 -3.84 0.43 0.00 1.34 0.00 0.00 72.50 70.27 1jm7 s THR 37 CO -0.08 -0.90 1.69 0.50 -0.54 0.00 0.00 174.62 175.29 1jm7 h LYS 38 N 0.21 0.00 -0.85 3.99 3.64 -1.70 0.88 116.57 122.73 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 1.20 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.95 1jm7 h LYS 38 CO 0.62 0.00 0.14 0.00 -2.27 0.00 0.00 179.45 177.94 1jm7 n ASP 40 N 0.05 -4.98 -4.79 0.00 2.03 0.30 -4.97 116.55 104.19 1jm7 n ASP 40 Ca 0.23 -0.30 -0.22 0.00 0.52 0.00 0.00 54.79 55.01 1jm7 n ASP 40 Cb 0.93 -4.07 -0.05 0.00 -0.72 0.00 0.00 41.12 37.22 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 -3.04 2.93 0.06 -0.67 3.76 -1.21 -4.85 115.29 112.27 1jm7 s HIS 41 Ca 0.32 -0.21 0.04 0.00 -0.15 0.00 0.00 55.06 55.06 1jm7 s HIS 41 Cb -0.16 -1.50 -0.04 0.00 1.11 0.00 0.00 32.58 31.99 1jm7 s HIS 41 CO 0.40 0.43 -0.01 0.42 -0.85 0.00 0.00 174.74 175.12 1jm7 s ILE 42 N -2.25 3.97 0.28 0.60 -1.09 -1.26 -0.29 121.20 121.16 1jm7 s ILE 42 Ca 0.35 -0.89 -0.00 0.00 -2.23 0.00 0.00 60.65 57.89 1jm7 s ILE 42 Cb -0.06 -2.84 0.00 0.00 -1.58 0.00 0.00 42.46 37.98 1jm7 s ILE 42 CO 0.24 0.21 0.36 0.49 -1.23 0.00 0.00 174.94 175.02 1jm7 n PHE 43 N 0.90 -1.13 -1.23 3.97 3.01 -1.20 -4.63 117.46 117.14 1jm7 n PHE 43 Ca -0.12 -1.93 -0.22 0.00 1.01 0.00 0.00 57.45 56.18 1jm7 n PHE 43 Cb 0.52 0.40 0.19 0.00 -0.01 0.00 0.00 39.48 40.58 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 -1.09 0.00 0.25 0.00 0.00 -1.05 -3.93 118.16 112.35 1jm7 n LYS 45 Ca 0.58 0.00 0.10 0.00 0.00 0.00 0.00 58.31 58.99 1jm7 n LYS 45 Cb 1.64 0.00 0.67 0.00 0.00 0.00 0.00 35.03 37.34 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 -0.72 5.64 3.57 -1.93 -2.52 116.94 120.98 1jm7 h PHE 46 Ca 0.00 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.71 1jm7 h PHE 46 Cb 0.00 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1jm7 h PHE 46 CO 0.00 0.12 0.55 0.00 -2.23 0.00 0.00 178.31 176.76 1jm7 h MET 48 N 0.00 0.13 0.20 0.00 2.86 -1.80 -1.45 114.93 114.87 1jm7 h MET 48 Ca 0.34 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1jm7 h MET 48 Cb 1.45 0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.16 1jm7 h MET 48 CO -0.00 0.98 -0.10 1.25 1.06 0.00 0.00 176.91 180.10 1jm7 h LEU 49 N 0.06 -0.23 -0.38 1.22 6.46 -0.40 -1.75 115.31 120.30 1jm7 h LEU 49 Ca -0.04 -0.20 -0.17 0.00 -0.12 0.00 0.00 57.88 57.35 1jm7 h LEU 49 Cb 1.62 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 41.61 1jm7 h LEU 49 CO 0.14 0.09 -0.45 0.11 -0.62 0.00 0.00 178.44 177.70 1jm7 h LYS 50 N -0.56 0.88 -0.05 1.25 6.56 -1.52 -2.96 116.57 120.18 1jm7 h LYS 50 Ca -0.03 -0.50 -0.00 0.00 -1.06 0.00 0.00 60.65 59.06 1jm7 h LYS 50 Cb 0.42 0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.11 1jm7 h LYS 50 CO 0.05 1.15 0.03 1.25 -2.06 0.00 0.00 179.45 179.86 1jm7 h LEU 51 N 0.70 0.06 -0.48 2.94 5.85 -1.28 0.87 115.31 123.97 1jm7 h LEU 51 Ca 0.04 -0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.60 1jm7 h LEU 51 Cb 1.05 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1jm7 h LEU 51 CO 0.10 0.04 -0.76 -0.07 -0.34 0.00 0.00 178.44 177.42 1jm7 h LEU 52 N 0.07 0.09 0.01 2.25 3.38 -1.15 -3.20 115.31 116.76 1jm7 h LEU 52 Ca 0.02 -0.07 -0.30 0.00 0.09 0.00 0.00 57.88 57.62 1jm7 h LEU 52 Cb -0.00 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1jm7 h LEU 52 CO -0.00 0.81 -1.75 0.59 0.09 0.00 0.00 178.44 178.18 1jm7 n ASN 53 N -3.68 0.94 0.13 -0.43 3.02 -0.49 -4.03 115.26 110.72 1jm7 n ASN 53 Ca -0.02 0.39 0.08 0.00 -0.03 0.00 0.00 54.58 55.01 1jm7 n ASN 53 Cb 0.73 -0.10 0.57 0.00 -0.61 0.00 0.00 39.78 40.37 1jm7 n ASN 53 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1jm7 h GLN 54 N 0.01 0.20 -5.66 3.52 4.20 0.67 -3.41 115.11 114.64 1jm7 h GLN 54 Ca -0.30 -0.01 -0.61 0.00 0.06 0.00 0.00 58.65 57.78 1jm7 h GLN 54 Cb 2.02 -0.05 -0.31 0.00 0.30 0.00 0.00 27.48 29.45 1jm7 h GLN 54 CO 0.08 0.13 -0.86 0.21 -0.67 0.00 0.00 178.83 177.72 1jm7 s LYS 55 N -5.22 2.04 -0.18 1.46 2.36 -1.21 -5.08 119.74 113.90 1jm7 s LYS 55 Ca -0.06 -0.73 -0.29 0.00 -2.55 0.00 0.00 55.97 52.34 1jm7 s LYS 55 Cb 0.18 -1.78 -0.06 0.00 -1.05 0.00 0.00 37.83 35.12 1jm7 s LYS 55 CO 0.70 0.32 2.19 1.63 1.55 0.00 0.00 175.35 181.74 1jm7 n LYS 56 N 2.99 2.07 0.00 4.03 5.02 -1.26 -4.63 118.16 126.38 1jm7 n LYS 56 Ca -0.17 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1jm7 n LYS 56 Cb 0.53 -3.17 0.00 0.00 -0.02 0.00 0.00 35.03 32.36 1jm7 n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jm7 n GLY 57 N 5.61 -0.47 3.11 0.72 0.00 -1.26 -5.04 105.19 107.85 1jm7 n GLY 57 Ca 0.29 -2.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.38 -0.07 1.61 -0.02 -1.26 -4.73 135.00 128.15 1jm7 n PRO 58 Ca 0.00 -0.70 -0.14 0.00 -2.02 0.00 0.00 63.50 60.64 1jm7 n PRO 58 Cb 0.00 -1.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 1jm7 n PRO 58 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1jm7 h SER 59 N -2.62 0.95 -4.65 2.55 0.02 -1.81 -3.43 113.55 104.56 1jm7 h SER 59 Ca -0.34 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.10 1jm7 h SER 59 Cb 1.00 -0.27 -0.07 0.00 0.14 0.00 0.00 62.40 63.20 1jm7 h SER 59 CO 0.23 1.31 -1.19 0.00 -1.14 0.00 0.00 176.83 176.03 1jm7 n GLN 60 N -4.00 -4.32 -1.48 3.45 3.00 -1.25 -4.68 117.38 108.10 1jm7 n GLN 60 Ca -0.04 3.26 -0.48 0.00 -0.01 0.00 0.00 57.00 59.72 1jm7 n GLN 60 Cb 0.63 -4.46 -0.06 0.00 0.00 0.00 0.00 30.24 26.35 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 8.36 0.04 0.05 0.00 -0.04 -1.26 -0.54 135.00 141.62 1jm7 n PRO 62 Ca 0.40 0.22 -0.09 0.00 -0.04 0.00 0.00 63.50 63.99 1jm7 n PRO 62 Cb 0.28 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.11 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 0.10 0.00 1.53 4.07 -1.87 -3.43 115.31 115.71 1jm7 h LEU 63 Ca 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.85 1jm7 h LEU 63 Cb 0.24 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.95 1jm7 h LEU 63 CO 0.00 1.09 -0.10 0.00 -1.08 0.00 0.00 178.44 178.35 1jm7 n LYS 65 N -3.42 0.00 0.00 0.00 3.00 0.30 -5.08 118.16 112.97 1jm7 n LYS 65 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1jm7 n LYS 65 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.08 1jm7 n LYS 65 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1jm7 n ASN 66 N 0.00 0.00 0.00 3.14 6.94 -1.09 -4.37 115.26 119.88 1jm7 n ASN 66 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1jm7 n ASN 66 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1jm7 n ASN 66 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1jm7 n ASP 67 N 0.00 0.00 -3.71 0.53 8.00 -1.26 -4.56 116.55 115.55 1jm7 n ASP 67 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 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 0.06 -0.46 0.53 1.01 -1.26 -4.00 121.20 117.07 1jm7 s ILE 68 Ca 0.00 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.18 1jm7 s ILE 68 Cb 0.00 -0.86 0.26 0.00 0.01 0.00 0.00 42.46 41.87 1jm7 s ILE 68 CO 0.00 -0.29 0.99 0.35 0.00 0.00 0.00 174.94 175.99 1jm7 n THR 69 N 0.75 0.00 0.00 2.92 -2.24 -1.26 -3.56 114.28 110.89 1jm7 n THR 69 Ca -0.19 -1.40 0.00 0.00 -2.27 0.00 0.00 64.05 60.19 1jm7 n THR 69 Cb 0.59 1.45 0.00 0.00 -2.10 0.00 0.00 70.33 70.26 1jm7 n THR 69 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1jm7 n LYS 70 N 1.33 0.00 -1.57 -0.78 5.02 -1.26 -4.00 118.16 116.90 1jm7 n LYS 70 Ca 0.07 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.05 1jm7 n LYS 70 Cb 0.66 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.61 1jm7 n LYS 70 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1jm7 n ARG 71 N 0.00 3.36 -0.05 1.97 5.12 -1.26 -4.25 116.66 121.55 1jm7 n ARG 71 Ca 0.00 -2.53 -0.12 0.00 -1.93 0.00 0.00 57.85 53.28 1jm7 n ARG 71 Cb 0.00 -2.41 -0.04 0.00 -1.16 0.00 0.00 32.46 28.86 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 1.87 0.95 -2.89 0.55 7.64 -1.26 -5.05 113.62 115.42 1jm7 n SER 72 Ca 0.58 0.16 -0.13 0.00 1.01 0.00 0.00 58.87 60.49 1jm7 n SER 72 Cb 0.44 -0.38 0.10 0.00 -1.01 0.00 0.00 64.21 63.36 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 -3.60 0.00 -3.70 -3.43 -0.00 -1.26 -3.93 117.00 101.09 1jm7 n LEU 73 Ca -0.21 -0.59 -0.11 0.00 -0.00 0.00 0.00 56.01 55.11 1jm7 n LEU 73 Cb 0.61 -0.45 -0.11 0.00 -0.00 0.00 0.00 43.42 43.47 1jm7 n LEU 73 CO 0.02 -1.18 0.07 -1.10 -0.00 0.00 0.00 177.39 175.21 1jm7 s GLN 74 N -4.20 0.41 0.20 1.47 -0.21 -0.16 -4.93 119.66 112.24 1jm7 s GLN 74 Ca 0.32 0.79 -0.30 0.00 0.02 0.00 0.00 55.36 56.19 1jm7 s GLN 74 Cb -0.02 0.00 -0.08 0.00 1.00 0.00 0.00 33.01 33.92 1jm7 s GLN 74 CO 0.24 -0.15 1.14 -2.00 -2.12 0.00 0.00 175.29 172.39 1jm7 s GLU 75 N 1.31 4.56 0.11 2.91 2.12 -1.26 -2.44 118.70 126.01 1jm7 s GLU 75 Ca -0.09 1.80 -0.12 0.00 0.36 0.00 0.00 54.97 56.92 1jm7 s GLU 75 Cb -0.08 -3.25 0.04 0.00 0.26 0.00 0.00 34.13 31.11 1jm7 s GLU 75 CO -0.12 0.03 0.56 0.43 -0.54 0.00 0.00 175.26 175.63 1jm7 n SER 76 N 2.20 -0.98 -3.78 -1.70 7.64 -1.26 -5.00 113.62 110.74 1jm7 n SER 76 Ca 0.03 -1.53 -0.30 0.00 1.01 0.00 0.00 58.87 58.08 1jm7 n SER 76 Cb 0.45 1.60 -0.14 0.00 -1.01 0.00 0.00 64.21 65.12 1jm7 n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1jm7 s THR 77 N -2.30 1.56 0.06 0.44 2.01 -1.26 -4.62 115.64 111.53 1jm7 s THR 77 Ca 0.12 -2.43 0.00 0.00 0.31 0.00 0.00 61.69 59.70 1jm7 s THR 77 Cb -0.02 -2.11 0.00 0.00 0.01 0.00 0.00 72.50 70.38 1jm7 s THR 77 CO 0.03 -0.81 0.00 -1.14 -0.69 0.00 0.00 174.62 172.01 1jm7 n ARG 78 N 3.79 0.00 -1.08 4.92 0.63 -1.26 -4.80 116.66 118.85 1jm7 n ARG 78 Ca 0.06 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.81 1jm7 n ARG 78 Cb 0.36 -0.31 0.20 0.00 0.45 0.00 0.00 32.46 33.15 1jm7 n ARG 78 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1jm7 n PHE 79 N -3.05 2.69 -0.06 -0.14 3.72 -1.26 -4.48 117.46 114.89 1jm7 n PHE 79 Ca 0.00 -1.58 -0.04 0.00 -0.05 0.00 0.00 57.45 55.78 1jm7 n PHE 79 Cb 0.21 -0.83 -0.01 0.00 -0.94 0.00 0.00 39.48 37.90 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 -0.78 1.40 0.17 4.37 2.88 -1.26 -3.80 113.62 116.60 1jm7 n SER 80 Ca 0.51 0.53 0.14 0.00 -1.33 0.00 0.00 58.87 58.72 1jm7 n SER 80 Cb 1.52 -0.78 0.71 0.00 -0.75 0.00 0.00 64.21 64.91 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 -0.77 0.00 -0.16 -1.46 4.20 -1.93 0.03 115.11 115.02 1jm7 h GLN 81 Ca 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1jm7 h GLN 81 Cb 0.41 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1jm7 h GLN 81 CO 0.00 0.00 -0.32 -0.07 -0.67 0.00 0.00 178.83 177.77 1jm7 h LEU 82 N 0.00 0.32 0.08 1.46 3.38 -1.80 0.88 115.31 119.64 1jm7 h LEU 82 Ca 0.10 -0.12 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 1jm7 h LEU 82 Cb 0.43 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 41.12 1jm7 h LEU 82 CO -0.00 0.63 -1.01 0.58 0.09 0.00 0.00 178.44 178.73 1jm7 h VAL 83 N 0.28 1.35 -0.11 1.22 2.07 -1.11 -2.76 116.25 117.18 1jm7 h VAL 83 Ca 0.04 -2.36 -0.03 0.00 0.82 0.00 0.00 66.70 65.17 1jm7 h VAL 83 Cb 0.71 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 33.19 1jm7 h VAL 83 CO 0.05 0.70 -0.06 -0.33 0.02 0.00 0.00 177.57 177.96 1jm7 h GLU 84 N 0.11 0.23 -0.97 1.57 5.08 -1.29 -2.76 114.58 116.55 1jm7 h GLU 84 Ca -0.15 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1jm7 h GLU 84 Cb 1.71 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.90 1jm7 h GLU 84 CO 0.20 0.59 0.63 0.93 -1.00 0.00 0.00 179.01 180.35 1jm7 h GLU 85 N -0.13 1.15 -0.48 2.33 3.07 -0.94 -2.09 114.58 117.49 1jm7 h GLU 85 Ca 0.02 -0.07 0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1jm7 h GLU 85 Cb 0.52 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 1jm7 h GLU 85 CO 0.02 0.76 0.32 1.25 -1.40 0.00 0.00 179.01 179.95 1jm7 h LEU 86 N 1.19 0.54 -1.80 1.33 5.85 -1.42 -1.67 115.31 119.32 1jm7 h LEU 86 Ca 0.40 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 59.22 1jm7 h LEU 86 Cb 0.08 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1jm7 h LEU 86 CO -0.14 0.39 0.36 0.25 -0.34 0.00 0.00 178.44 178.97 1jm7 h LEU 87 N 0.64 0.20 -0.51 2.25 5.85 -1.08 0.65 115.31 123.31 1jm7 h LEU 87 Ca 0.18 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.74 1jm7 h LEU 87 Cb -0.07 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1jm7 h LEU 87 CO -0.04 0.11 -0.70 0.11 -0.34 0.00 0.00 178.44 177.58 1jm7 h LYS 88 N 0.22 0.24 -0.22 1.25 1.79 -1.10 -2.65 116.57 116.10 1jm7 h LYS 88 Ca 0.25 -0.20 -0.11 0.00 -2.18 0.00 0.00 60.65 58.41 1jm7 h LYS 88 Cb 0.69 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 1jm7 h LYS 88 CO -0.05 0.85 -0.35 0.82 -1.08 0.00 0.00 179.45 179.64 1jm7 h ILE 89 N 0.17 1.29 -0.16 1.86 2.04 -0.41 -2.68 117.51 119.62 1jm7 h ILE 89 Ca -0.02 -1.46 -0.11 0.00 1.00 0.00 0.00 64.86 64.27 1jm7 h ILE 89 Cb 1.25 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1jm7 h ILE 89 CO 0.11 0.46 -0.34 0.40 0.00 0.00 0.00 178.15 178.77 1jm7 h ILE 90 N 0.41 1.35 -0.51 -0.67 2.04 -1.32 -2.95 117.51 115.87 1jm7 h ILE 90 Ca 0.05 -1.61 0.03 0.00 1.00 0.00 0.00 64.86 64.33 1jm7 h ILE 90 Cb 0.80 1.99 -0.03 0.00 -0.74 0.00 0.00 36.82 38.84 1jm7 h ILE 90 CO 0.07 0.49 0.34 0.00 0.00 0.00 0.00 178.15 179.04 1jm7 h ALA 92 N 1.71 0.79 -0.14 0.00 0.00 -1.43 -2.57 119.26 117.61 1jm7 h ALA 92 Ca 0.20 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1jm7 h ALA 92 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1jm7 h ALA 92 CO -0.05 0.65 0.04 0.35 0.00 0.00 0.00 179.25 180.24 1jm7 h PHE 93 N 0.76 0.06 0.00 0.00 3.57 -1.14 -1.80 116.94 118.39 1jm7 h PHE 93 Ca 0.10 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1jm7 h PHE 93 Cb 0.77 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1jm7 h PHE 93 CO 0.04 0.03 -0.17 1.96 -2.23 0.00 0.00 178.31 177.94 1jm7 h GLN 94 N 0.10 0.00 -0.07 1.11 4.20 -1.47 0.53 115.11 119.51 1jm7 h GLN 94 Ca 0.06 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.79 1jm7 h GLN 94 Cb 0.05 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1jm7 h GLN 94 CO -0.08 0.17 -0.05 1.25 -0.67 0.00 0.00 178.83 179.46 1jm7 h LEU 95 N 0.00 -0.15 0.00 1.46 6.46 -0.90 -2.12 115.31 120.06 1jm7 h LEU 95 Ca -0.00 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1jm7 h LEU 95 Cb 0.36 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1jm7 h LEU 95 CO 0.02 -0.07 -0.22 -0.67 -0.62 0.00 0.00 178.44 176.89 1jm7 n ASP 96 N -5.17 0.60 0.40 1.25 2.03 -1.11 -4.68 116.55 109.86 1jm7 n ASP 96 Ca -0.05 0.29 -0.18 0.00 0.52 0.00 0.00 54.79 55.36 1jm7 n ASP 96 Cb 0.10 -0.61 -0.09 0.00 -0.72 0.00 0.00 41.12 39.80 1jm7 n ASP 96 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1jm7 h THR 97 N -0.32 0.28 0.00 5.18 1.35 -1.09 -3.41 112.91 114.89 1jm7 h THR 97 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1jm7 h THR 97 Cb 0.22 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 66.92 1jm7 h THR 97 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1jm7 n GLY 98 N -1.49 0.76 3.91 5.82 0.00 -0.80 -4.33 105.19 109.07 1jm7 n GLY 98 Ca -0.14 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.93 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 3.48 1.18 0.99 1.02 -1.26 -4.94 118.68 119.15 1jm7 s LEU 99 Ca 0.00 0.81 -0.18 0.00 0.02 0.00 0.00 54.13 54.78 1jm7 s LEU 99 Cb 0.00 -3.71 0.27 0.00 0.02 0.00 0.00 46.19 42.77 1jm7 s LEU 99 CO 0.00 -0.76 1.10 -1.61 0.02 0.00 0.00 176.35 175.09 1jm7 s GLU 100 N -4.82 -1.04 0.32 1.70 2.02 -1.26 -4.62 118.70 110.99 1jm7 s GLU 100 Ca 0.50 0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.54 1jm7 s GLU 100 Cb -0.10 -1.61 0.00 0.00 0.10 0.00 0.00 34.13 32.52 1jm7 s GLU 100 CO 0.45 -3.61 0.00 0.98 0.02 0.00 0.00 175.26 173.09 1jm7 n TYR 101 N -4.71 -3.92 0.00 1.61 9.36 -1.26 -5.03 117.16 113.21 1jm7 n TYR 101 Ca 0.12 1.09 0.00 0.00 3.32 0.00 0.00 57.90 62.43 1jm7 n TYR 101 Cb 0.59 2.86 0.00 0.00 -0.63 0.00 0.00 39.34 42.16 1jm7 n TYR 101 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1jm7 n ALA 102 N -3.15 1.52 1.99 2.98 0.00 -1.26 -5.10 120.51 117.49 1jm7 n ALA 102 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 1jm7 n ALA 102 Cb 0.00 0.00 0.94 0.00 0.00 0.00 0.00 19.45 20.39 1jm7 n ALA 102 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59