#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 -5.41 -3.48 3.17 8.00 -1.26 -1.40 116.55 116.17 1jm7 n ASP 2 Ca 0.00 0.02 -0.25 0.00 0.71 0.00 0.00 54.79 55.27 1jm7 n ASP 2 Cb 0.00 -4.51 0.04 0.00 -0.02 0.00 0.00 41.12 36.63 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 -3.01 -2.65 -1.53 0.64 7.94 -1.26 -0.43 117.00 116.71 1jm7 n LEU 3 Ca -0.22 -0.51 -0.19 0.00 -1.11 0.00 0.00 56.01 53.99 1jm7 n LEU 3 Cb 0.67 -2.74 -0.07 0.00 0.53 0.00 0.00 43.42 41.81 1jm7 n LEU 3 CO 0.27 0.40 -0.19 -1.20 -1.11 0.00 0.00 177.39 175.56 1jm7 n SER 4 N -2.70 -5.28 -1.78 1.96 7.64 -0.49 -1.99 113.62 110.98 1jm7 n SER 4 Ca -0.02 0.40 -0.16 0.00 1.01 0.00 0.00 58.87 60.10 1jm7 n SER 4 Cb 0.56 -4.41 -0.05 0.00 -1.01 0.00 0.00 64.21 59.30 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 0.92 -0.40 0.15 -0.43 0.00 0.43 -4.85 120.51 116.32 1jm7 n ALA 5 Ca -0.19 0.22 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 1jm7 n ALA 5 Cb 0.62 -1.70 -0.07 0.00 0.00 0.00 0.00 19.45 18.31 1jm7 n ALA 5 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1jm7 h LEU 6 N 0.00 -0.45 -4.97 0.00 3.38 -1.57 -3.43 115.31 108.28 1jm7 h LEU 6 Ca -0.35 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 1jm7 h LEU 6 Cb 1.12 0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.93 1jm7 h LEU 6 CO 0.47 -0.27 0.14 -1.14 0.09 0.00 0.00 178.44 177.73 1jm7 n ARG 7 N -5.30 0.28 0.02 1.13 0.63 -1.26 -5.01 116.66 107.16 1jm7 n ARG 7 Ca -0.08 -0.80 -0.09 0.00 -0.92 0.00 0.00 57.85 55.96 1jm7 n ARG 7 Cb 0.21 -0.01 -0.13 0.00 0.45 0.00 0.00 32.46 32.98 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 0.47 1.25 -0.29 5.15 2.07 -1.83 -3.13 116.25 119.95 1jm7 h VAL 8 Ca -0.55 -3.01 -0.17 0.00 0.82 0.00 0.00 66.70 63.79 1jm7 h VAL 8 Cb 1.24 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 33.66 1jm7 h VAL 8 CO -0.20 0.74 -0.50 1.05 0.02 0.00 0.00 177.57 178.69 1jm7 h GLU 9 N 0.01 0.80 0.15 1.57 4.11 -1.93 -1.42 114.58 117.87 1jm7 h GLU 9 Ca -0.17 -0.47 -0.01 0.00 0.07 0.00 0.00 59.36 58.78 1jm7 h GLU 9 Cb 1.91 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.21 1jm7 h GLU 9 CO 0.11 1.10 -0.07 0.93 0.07 0.00 0.00 179.01 181.15 1jm7 h GLU 10 N 0.62 -0.19 -0.31 1.06 4.39 -1.97 -2.85 114.58 115.33 1jm7 h GLU 10 Ca 0.03 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.75 1jm7 h GLU 10 Cb 1.08 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 1jm7 h GLU 10 CO 0.11 0.19 0.17 0.28 -1.16 0.00 0.00 179.01 178.61 1jm7 h VAL 11 N -0.64 1.02 -0.84 3.13 2.07 -1.61 -2.04 116.25 117.35 1jm7 h VAL 11 Ca -0.02 -0.12 0.17 0.00 0.82 0.00 0.00 66.70 67.55 1jm7 h VAL 11 Cb 0.48 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 1jm7 h VAL 11 CO 0.03 0.07 0.56 -0.61 0.02 0.00 0.00 177.57 177.64 1jm7 h GLN 12 N 0.36 0.43 -0.04 1.57 4.15 -1.31 0.24 115.11 120.52 1jm7 h GLN 12 Ca 0.12 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.41 1jm7 h GLN 12 Cb 0.01 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 1jm7 h GLN 12 CO -0.06 0.29 -0.46 -0.91 -1.93 0.00 0.00 178.83 175.75 1jm7 h ASN 13 N 0.45 0.10 0.11 -0.69 4.21 -1.12 -2.90 115.58 115.74 1jm7 h ASN 13 Ca 0.43 -0.04 -0.21 0.00 1.21 0.00 0.00 56.30 57.69 1jm7 h ASN 13 Cb 0.99 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 38.16 1jm7 h ASN 13 CO -0.16 0.55 -0.79 0.58 -1.29 0.00 0.00 177.43 176.32 1jm7 h VAL 14 N 0.08 1.34 -0.17 2.81 2.07 -0.29 -2.88 116.25 119.21 1jm7 h VAL 14 Ca 0.00 -2.13 -0.06 0.00 0.82 0.00 0.00 66.70 65.33 1jm7 h VAL 14 Cb 0.85 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1jm7 h VAL 14 CO 0.06 0.65 -0.16 0.40 0.02 0.00 0.00 177.57 178.54 1jm7 h ILE 15 N 0.37 1.20 -0.11 4.57 1.08 -1.19 -2.33 117.51 121.11 1jm7 h ILE 15 Ca -0.05 -0.92 -0.09 0.00 -0.39 0.00 0.00 64.86 63.41 1jm7 h ILE 15 Cb 1.40 1.26 0.00 0.00 -3.07 0.00 0.00 36.82 36.41 1jm7 h ILE 15 CO 0.15 0.29 -0.27 -1.13 -0.69 0.00 0.00 178.15 176.49 1jm7 h ASN 16 N 0.26 0.43 -0.59 1.72 -0.73 -1.48 -3.00 115.58 112.19 1jm7 h ASN 16 Ca 0.05 -0.58 0.02 0.00 1.87 0.00 0.00 56.30 57.66 1jm7 h ASN 16 Cb 0.45 -0.12 -0.04 0.00 0.27 0.00 0.00 38.32 38.88 1jm7 h ASN 16 CO 0.03 0.93 0.36 0.00 -0.37 0.00 0.00 177.43 178.38 1jm7 h ALA 17 N 0.50 0.76 -0.91 1.57 0.00 -1.35 -2.28 119.26 117.55 1jm7 h ALA 17 Ca -0.00 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1jm7 h ALA 17 Cb 0.88 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1jm7 h ALA 17 CO 0.06 0.10 0.58 1.98 0.00 0.00 0.00 179.25 181.97 1jm7 h MET 18 N 0.71 1.05 -1.00 0.00 4.05 -1.46 -1.82 114.93 116.46 1jm7 h MET 18 Ca 0.23 -0.06 0.03 0.00 -0.28 0.00 0.00 59.70 59.62 1jm7 h MET 18 Cb 0.01 -0.24 -0.05 0.00 -0.80 0.00 0.00 31.60 30.52 1jm7 h MET 18 CO -0.10 0.70 0.66 0.37 0.23 0.00 0.00 176.91 178.77 1jm7 h GLN 19 N 1.08 1.27 -0.27 0.39 4.15 -1.26 -1.22 115.11 119.24 1jm7 h GLN 19 Ca 0.39 -0.08 0.03 0.00 0.77 0.00 0.00 58.65 59.76 1jm7 h GLN 19 Cb 0.11 -0.29 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 1jm7 h GLN 19 CO -0.15 0.84 0.18 0.87 -1.93 0.00 0.00 178.83 178.64 1jm7 h LYS 20 N 1.31 0.24 -0.05 1.69 1.57 -1.05 -0.32 116.57 119.96 1jm7 h LYS 20 Ca 0.38 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 59.03 1jm7 h LYS 20 Cb -0.07 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1jm7 h LYS 20 CO -0.11 0.16 -0.52 0.82 -0.57 0.00 0.00 179.45 179.23 1jm7 h ILE 21 N 0.25 1.37 -0.73 1.86 2.04 -1.08 -2.94 117.51 118.27 1jm7 h ILE 21 Ca 0.11 -1.79 -0.37 0.00 1.00 0.00 0.00 64.86 63.81 1jm7 h ILE 21 Cb 0.14 1.92 -0.22 0.00 -0.74 0.00 0.00 36.82 37.91 1jm7 h ILE 21 CO -0.02 0.52 0.35 0.18 0.00 0.00 0.00 178.15 179.18 1jm7 n LEU 22 N -3.93 5.68 0.00 1.44 7.99 -0.22 -4.99 117.00 122.97 1jm7 n LEU 22 Ca -0.02 -3.66 0.00 0.00 -0.01 0.00 0.00 56.01 52.33 1jm7 n LEU 22 Cb 0.55 -0.75 0.00 0.00 -0.11 0.00 0.00 43.42 43.10 1jm7 n LEU 22 CO 0.42 1.12 0.00 1.21 -1.51 0.00 0.00 177.39 178.63 1jm7 n GLU 23 N -1.09 0.41 -4.92 3.23 2.13 -0.66 -3.90 120.64 115.84 1jm7 n GLU 23 Ca 0.48 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.98 1jm7 n GLU 23 Cb 1.41 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.98 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 2.63 2.68 0.00 0.00 -0.04 -1.26 -3.31 135.00 135.69 1jm7 n PRO 25 Ca -0.17 -1.97 0.00 0.00 -0.04 0.00 0.00 63.50 61.32 1jm7 n PRO 25 Cb 0.52 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.25 0.52 -6.64 -1.26 -4.88 119.36 107.68 1jm7 n ILE 26 Ca 0.18 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.16 1jm7 n ILE 26 Cb 0.59 -0.06 0.00 0.00 -1.44 0.00 0.00 39.64 38.72 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 -1.67 -4.49 0.00 7.99 -1.21 -4.95 117.00 112.58 1jm7 n LEU 28 Ca 0.00 0.06 -0.37 0.00 -0.01 0.00 0.00 56.01 55.69 1jm7 n LEU 28 Cb 0.12 -2.67 -0.12 0.00 -0.11 0.00 0.00 43.42 40.64 1jm7 n LEU 28 CO 0.00 -0.20 -0.24 -1.61 -1.51 0.00 0.00 177.39 173.83 1jm7 s GLU 29 N -5.01 3.72 -0.91 3.23 0.41 -1.26 -4.64 118.70 114.25 1jm7 s GLU 29 Ca 0.00 -0.45 -0.24 0.00 -0.41 0.00 0.00 54.97 53.88 1jm7 s GLU 29 Cb 0.00 -3.46 -0.22 0.00 -1.78 0.00 0.00 34.13 28.67 1jm7 s GLU 29 CO 0.00 -0.21 2.34 -0.11 -0.49 0.00 0.00 175.26 176.80 1jm7 n LEU 30 N 4.97 -0.09 -4.60 1.80 7.94 -1.26 -4.21 117.00 121.56 1jm7 n LEU 30 Ca -0.15 0.02 -0.49 0.00 -1.11 0.00 0.00 56.01 54.28 1jm7 n LEU 30 Cb 0.51 -0.76 -0.04 0.00 0.53 0.00 0.00 43.42 43.66 1jm7 n LEU 30 CO 0.32 -0.80 0.82 2.30 -1.11 0.00 0.00 177.39 178.92 1jm7 n ILE 31 N 6.42 0.71 -0.06 1.96 -5.35 -1.25 -4.90 119.36 116.89 1jm7 n ILE 31 Ca 0.60 -0.18 -0.07 0.00 -0.27 0.00 0.00 62.75 62.84 1jm7 n ILE 31 Cb 0.05 -0.98 -0.08 0.00 -1.74 0.00 0.00 39.64 36.89 1jm7 n ILE 31 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1jm7 n LYS 32 N 2.01 1.60 -3.78 6.28 3.00 -1.26 -4.81 118.16 121.19 1jm7 n LYS 32 Ca 0.15 0.02 -0.32 0.00 -0.00 0.00 0.00 58.31 58.17 1jm7 n LYS 32 Cb 0.25 -1.27 -0.10 0.00 0.00 0.00 0.00 35.03 33.91 1jm7 n LYS 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1jm7 s GLU 33 N -2.26 2.81 0.15 1.64 2.02 -1.26 -4.94 118.70 116.85 1jm7 s GLU 33 Ca -0.10 -3.29 -0.34 0.00 0.02 0.00 0.00 54.97 51.26 1jm7 s GLU 33 Cb 0.04 -3.66 -0.15 0.00 0.10 0.00 0.00 34.13 30.45 1jm7 s GLU 33 CO 0.40 -1.27 1.38 -2.30 0.02 0.00 0.00 175.26 173.49 1jm7 n PRO 34 N 2.18 1.58 -3.67 0.39 -0.02 -1.25 -3.55 135.00 130.66 1jm7 n PRO 34 Ca 0.20 0.57 -0.15 0.00 -2.02 0.00 0.00 63.50 62.10 1jm7 n PRO 34 Cb 0.36 -2.22 -0.14 0.00 -0.02 0.00 0.00 33.50 31.48 1jm7 n PRO 34 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1jm7 s VAL 35 N 0.38 -0.34 0.02 -1.45 0.11 -1.07 -4.07 120.40 113.99 1jm7 s VAL 35 Ca 0.78 0.30 -0.30 0.00 -2.93 0.00 0.00 61.98 59.83 1jm7 s VAL 35 Cb -0.81 -0.38 -0.05 0.00 -1.53 0.00 0.00 36.38 33.61 1jm7 s VAL 35 CO 0.46 0.13 1.16 -0.94 -3.33 0.00 0.00 175.10 172.57 1jm7 s SER 36 N 2.30 7.13 0.37 3.54 1.04 -1.19 -1.66 113.70 125.22 1jm7 s SER 36 Ca 0.01 1.90 0.02 0.00 0.48 0.00 0.00 55.95 58.37 1jm7 s SER 36 Cb -0.12 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.41 1jm7 s SER 36 CO -0.07 -0.46 0.56 0.42 0.98 0.00 0.00 173.24 174.67 1jm7 s THR 37 N 1.31 4.45 0.56 2.02 -4.23 0.32 0.89 115.64 120.97 1jm7 s THR 37 Ca 0.57 -0.65 0.34 0.00 -1.18 0.00 0.00 61.69 60.77 1jm7 s THR 37 Cb -0.27 -3.61 0.50 0.00 1.34 0.00 0.00 72.50 70.46 1jm7 s THR 37 CO 0.27 -0.35 1.75 0.50 -0.54 0.00 0.00 174.62 176.25 1jm7 h LYS 38 N 0.69 0.00 -0.88 3.99 3.11 -1.89 0.96 116.57 122.55 1jm7 h LYS 38 Ca -0.48 0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.09 1jm7 h LYS 38 Cb 1.24 0.00 -0.16 0.00 -1.00 0.00 0.00 32.23 32.31 1jm7 h LYS 38 CO 0.58 0.00 0.35 0.00 -2.81 0.00 0.00 179.45 177.56 1jm7 n ASP 40 N -0.36 -1.76 -4.28 0.00 2.03 0.33 -5.00 116.55 107.51 1jm7 n ASP 40 Ca 0.40 -0.82 -0.22 0.00 0.52 0.00 0.00 54.79 54.66 1jm7 n ASP 40 Cb 1.31 -4.12 -0.12 0.00 -0.72 0.00 0.00 41.12 37.46 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 -3.63 1.70 -0.10 -0.67 3.76 -1.21 -4.82 115.29 110.32 1jm7 s HIS 41 Ca 0.06 -0.44 -0.10 0.00 -0.15 0.00 0.00 55.06 54.42 1jm7 s HIS 41 Cb -0.02 -0.91 -0.05 0.00 1.11 0.00 0.00 32.58 32.72 1jm7 s HIS 41 CO 0.81 0.21 0.23 0.42 -0.85 0.00 0.00 174.74 175.56 1jm7 s ILE 42 N -1.43 5.35 0.34 0.60 -1.09 -1.25 0.12 121.20 123.84 1jm7 s ILE 42 Ca 0.08 0.42 0.05 0.00 -2.23 0.00 0.00 60.65 58.96 1jm7 s ILE 42 Cb -0.09 -3.51 -0.03 0.00 -1.58 0.00 0.00 42.46 37.25 1jm7 s ILE 42 CO 0.04 0.57 0.20 -0.36 -1.23 0.00 0.00 174.94 174.17 1jm7 s PHE 43 N -0.81 1.70 -0.45 3.97 0.40 -0.67 -4.67 117.98 117.45 1jm7 s PHE 43 Ca 0.17 -1.49 0.04 0.00 -0.60 0.00 0.00 56.93 55.05 1jm7 s PHE 43 Cb -0.13 -0.86 0.64 0.00 0.51 0.00 0.00 43.02 43.18 1jm7 s PHE 43 CO 0.06 -0.63 1.91 0.00 0.70 0.00 0.00 175.22 177.26 1jm7 n LYS 45 N -1.10 0.00 0.06 0.00 4.76 -1.23 -3.77 118.16 116.87 1jm7 n LYS 45 Ca 0.59 0.00 0.21 0.00 -2.87 0.00 0.00 58.31 56.24 1jm7 n LYS 45 Cb 1.61 0.00 0.73 0.00 -1.84 0.00 0.00 35.03 35.53 1jm7 n LYS 45 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1jm7 h PHE 46 N 0.00 0.00 -0.36 2.13 3.04 -1.93 0.14 116.94 119.97 1jm7 h PHE 46 Ca 0.00 0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.02 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 0.25 0.00 -2.02 0.00 0.00 178.31 176.54 1jm7 h MET 48 N 0.17 0.72 0.59 0.00 2.86 -1.05 -1.94 114.93 116.28 1jm7 h MET 48 Ca 0.16 -0.34 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1jm7 h MET 48 Cb 0.43 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1jm7 h MET 48 CO -0.02 0.95 -0.31 -0.07 1.06 0.00 0.00 176.91 178.51 1jm7 h LEU 49 N 0.61 -0.74 -1.12 1.22 4.07 -1.25 0.53 115.31 118.62 1jm7 h LEU 49 Ca 0.07 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1jm7 h LEU 49 Cb 0.85 0.20 -0.04 0.00 1.08 0.00 0.00 40.66 42.75 1jm7 h LEU 49 CO 0.07 -0.51 0.54 0.11 -1.08 0.00 0.00 178.44 177.58 1jm7 h LYS 50 N -0.83 1.14 -0.10 1.13 6.56 -1.54 0.12 116.57 123.06 1jm7 h LYS 50 Ca -0.08 -0.08 -0.12 0.00 -1.06 0.00 0.00 60.65 59.31 1jm7 h LYS 50 Cb 0.65 -0.25 -0.01 0.00 -0.57 0.00 0.00 32.23 32.04 1jm7 h LYS 50 CO 0.11 0.77 -0.48 1.25 -2.06 0.00 0.00 179.45 179.05 1jm7 h LEU 51 N 1.16 0.26 -0.20 2.94 5.85 -1.10 0.84 115.31 125.07 1jm7 h LEU 51 Ca 0.31 -0.12 -0.20 0.00 0.84 0.00 0.00 57.88 58.71 1jm7 h LEU 51 Cb -0.10 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1jm7 h LEU 51 CO -0.06 0.70 -0.92 -0.07 -0.34 0.00 0.00 178.44 177.75 1jm7 h LEU 52 N 0.20 0.08 0.00 2.25 3.38 0.89 -3.27 115.31 118.84 1jm7 h LEU 52 Ca 0.01 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1jm7 h LEU 52 Cb 0.92 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1jm7 h LEU 52 CO 0.07 0.95 -1.34 0.59 0.09 0.00 0.00 178.44 178.81 1jm7 n ASN 53 N -3.51 0.57 -0.04 -0.43 5.03 0.35 -2.93 115.26 114.30 1jm7 n ASN 53 Ca -0.02 0.22 0.20 0.00 0.87 0.00 0.00 54.58 55.85 1jm7 n ASN 53 Cb 0.86 0.96 0.67 0.00 -1.02 0.00 0.00 39.78 41.24 1jm7 n ASN 53 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 1jm7 h GLN 54 N 0.00 0.06 0.00 3.52 1.08 0.66 -2.68 115.11 117.74 1jm7 h GLN 54 Ca -0.00 -0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 1jm7 h GLN 54 Cb 1.01 -0.01 -0.13 0.00 -0.05 0.00 0.00 27.48 28.30 1jm7 h GLN 54 CO 0.00 0.04 -0.63 0.36 -0.95 0.00 0.00 178.83 177.65 1jm7 n LYS 55 N -4.38 0.23 -1.51 1.46 2.85 -1.26 -5.09 118.16 110.46 1jm7 n LYS 55 Ca 0.11 -1.64 0.08 0.00 -1.05 0.00 0.00 58.31 55.82 1jm7 n LYS 55 Cb 0.62 -0.50 -0.05 0.00 -0.65 0.00 0.00 35.03 34.45 1jm7 n LYS 55 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1jm7 n LYS 56 N -0.05 -3.75 0.00 -1.58 4.76 -1.01 -4.91 118.16 111.63 1jm7 n LYS 56 Ca 0.05 2.98 0.00 0.00 -2.87 0.00 0.00 58.31 58.47 1jm7 n LYS 56 Cb 0.84 -3.95 0.00 0.00 -1.84 0.00 0.00 35.03 30.08 1jm7 n LYS 56 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jm7 n GLY 57 N -3.43 0.91 3.39 0.72 0.00 -1.21 -4.75 105.19 100.82 1jm7 n GLY 57 Ca -0.05 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 1jm7 n GLY 57 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jm7 n PRO 58 N 0.00 -0.15 -1.49 1.61 -0.02 -1.26 -4.43 135.00 129.26 1jm7 n PRO 58 Ca 0.00 -0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.36 1jm7 n PRO 58 Cb 0.00 -1.78 0.06 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 -0.71 0.59 -3.77 2.55 3.41 0.28 -4.76 113.62 111.21 1jm7 n SER 59 Ca 0.07 -1.51 -0.27 0.00 -0.26 0.00 0.00 58.87 56.90 1jm7 n SER 59 Cb 0.53 -0.33 -0.17 0.00 -0.26 0.00 0.00 64.21 63.98 1jm7 n SER 59 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1jm7 s GLN 60 N -3.76 0.79 -0.28 4.33 0.74 -1.26 -0.47 119.66 119.75 1jm7 s GLN 60 Ca 0.32 -0.32 -0.30 0.00 0.05 0.00 0.00 55.36 55.12 1jm7 s GLN 60 Cb -0.02 -1.82 -0.07 0.00 1.10 0.00 0.00 33.01 32.20 1jm7 s GLN 60 CO 0.22 -0.52 2.23 0.00 -0.55 0.00 0.00 175.29 176.66 1jm7 h PRO 62 N 14.50 0.00 0.00 0.00 0.13 -1.93 0.93 132.00 145.63 1jm7 h PRO 62 Ca -0.36 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.60 1jm7 h PRO 62 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1jm7 h PRO 62 CO 0.99 0.00 -0.82 -0.07 -0.23 0.00 0.00 178.00 177.87 1jm7 h LEU 63 N 0.00 0.00 -2.19 1.56 4.07 -1.89 -3.36 115.31 113.49 1jm7 h LEU 63 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 1jm7 h LEU 63 Cb 0.56 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.25 1jm7 h LEU 63 CO 0.00 0.82 -0.55 0.00 -1.08 0.00 0.00 178.44 177.62 1jm7 n LYS 65 N -0.00 -2.17 -0.13 0.00 3.00 0.31 -4.92 118.16 114.23 1jm7 n LYS 65 Ca 0.02 0.48 0.00 0.00 -0.00 0.00 0.00 58.31 58.81 1jm7 n LYS 65 Cb 0.76 -4.98 0.00 0.00 0.00 0.00 0.00 35.03 30.81 1jm7 n LYS 65 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1jm7 n ASN 66 N -1.41 0.00 -3.92 3.14 5.15 -0.37 -4.77 115.26 113.07 1jm7 n ASN 66 Ca -0.11 -0.91 -0.31 0.00 -0.60 0.00 0.00 54.58 52.65 1jm7 n ASN 66 Cb 0.53 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.63 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 -1.00 4.38 0.55 1.20 2.15 -1.26 -0.61 116.67 122.08 1jm7 s ASP 67 Ca 0.00 -1.81 -0.10 0.00 0.43 0.00 0.00 52.55 51.07 1jm7 s ASP 67 Cb 0.00 -1.32 -0.05 0.00 -0.30 0.00 0.00 42.92 41.26 1jm7 s ASP 67 CO 0.00 -0.36 0.93 -0.63 -0.17 0.00 0.00 175.17 174.95 1jm7 s ILE 68 N 1.21 4.74 0.18 4.11 1.01 0.38 -4.82 121.20 128.01 1jm7 s ILE 68 Ca 0.07 0.73 0.03 0.00 0.00 0.00 0.00 60.65 61.48 1jm7 s ILE 68 Cb -0.18 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 1jm7 s ILE 68 CO -0.13 -0.94 0.10 0.35 0.00 0.00 0.00 174.94 174.32 1jm7 n THR 69 N -2.29 0.00 -1.11 2.92 -2.24 -1.26 0.10 114.28 110.40 1jm7 n THR 69 Ca 0.04 -1.16 -0.25 0.00 -2.27 0.00 0.00 64.05 60.41 1jm7 n THR 69 Cb 0.54 0.48 0.13 0.00 -2.10 0.00 0.00 70.33 69.38 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 -0.39 2.28 -1.43 -0.78 5.02 -1.26 -4.15 118.16 117.46 1jm7 n LYS 70 Ca -0.00 -2.83 -0.03 0.00 -2.02 0.00 0.00 58.31 53.43 1jm7 n LYS 70 Cb 0.29 -2.11 0.01 0.00 -0.02 0.00 0.00 35.03 33.21 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 -0.89 0.37 0.00 1.97 1.74 -1.26 -4.99 116.66 113.60 1jm7 n ARG 71 Ca 0.56 -0.64 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 1jm7 n ARG 71 Cb 1.23 0.39 0.00 0.00 -1.02 0.00 0.00 32.46 33.06 1jm7 n ARG 71 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1jm7 n SER 72 N -0.42 2.62 -4.46 0.55 3.41 -1.26 -5.07 113.62 108.99 1jm7 n SER 72 Ca -0.14 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.19 1jm7 n SER 72 Cb 0.61 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.82 1jm7 n SER 72 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1jm7 s LEU 73 N -5.26 0.69 -0.35 1.04 1.02 -1.26 -4.23 118.68 110.34 1jm7 s LEU 73 Ca 0.00 1.54 0.00 0.00 0.02 0.00 0.00 54.13 55.70 1jm7 s LEU 73 Cb 0.00 -3.40 0.14 0.00 0.02 0.00 0.00 46.19 42.94 1jm7 s LEU 73 CO 0.00 -4.38 0.23 -1.10 0.02 0.00 0.00 176.35 171.12 1jm7 s GLN 74 N -4.40 0.52 -0.49 1.70 -1.52 0.26 -4.93 119.66 110.80 1jm7 s GLN 74 Ca 0.69 -1.14 -0.28 0.00 -1.95 0.00 0.00 55.36 52.68 1jm7 s GLN 74 Cb -0.26 -1.16 -0.09 0.00 -0.22 0.00 0.00 33.01 31.29 1jm7 s GLN 74 CO 0.66 -1.19 2.40 0.39 -0.25 0.00 0.00 175.29 177.30 1jm7 n GLU 75 N 4.22 1.09 -3.46 2.91 4.71 -1.26 -3.18 120.64 125.66 1jm7 n GLU 75 Ca 0.10 0.10 -0.15 0.00 -0.01 0.00 0.00 57.16 57.20 1jm7 n GLU 75 Cb 0.39 -3.15 -0.04 0.00 -1.01 0.00 0.00 31.44 27.63 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 14.30 1.18 -4.04 1.62 7.64 -1.26 -5.00 113.62 128.06 1jm7 n SER 76 Ca 0.39 -2.32 -0.34 0.00 1.01 0.00 0.00 58.87 57.61 1jm7 n SER 76 Cb 0.46 0.61 -0.10 0.00 -1.01 0.00 0.00 64.21 64.17 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 -2.46 3.60 -0.03 0.44 2.01 -1.26 -4.64 115.64 113.29 1jm7 s THR 77 Ca 0.12 -3.51 -0.04 0.00 0.31 0.00 0.00 61.69 58.57 1jm7 s THR 77 Cb 0.01 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.17 1jm7 s THR 77 CO 0.09 -0.95 -0.08 0.54 -0.69 0.00 0.00 174.62 173.52 1jm7 n ARG 78 N 2.83 0.13 -1.18 4.92 1.74 -1.26 -4.76 116.66 119.08 1jm7 n ARG 78 Ca 0.13 0.06 -0.18 0.00 -0.77 0.00 0.00 57.85 57.09 1jm7 n ARG 78 Cb 0.36 -0.73 0.15 0.00 -1.02 0.00 0.00 32.46 31.22 1jm7 n ARG 78 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1jm7 n PHE 79 N -3.43 2.20 0.05 -1.55 3.72 -1.26 -4.56 117.46 112.62 1jm7 n PHE 79 Ca -0.10 -2.03 -0.22 0.00 -0.05 0.00 0.00 57.45 55.05 1jm7 n PHE 79 Cb 0.44 -0.77 -0.14 0.00 -0.94 0.00 0.00 39.48 38.07 1jm7 n PHE 79 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1jm7 h SER 80 N 1.35 0.52 0.75 4.37 4.64 -1.90 -3.28 113.55 120.01 1jm7 h SER 80 Ca 0.42 -0.91 -0.25 0.00 -0.47 0.00 0.00 61.79 60.58 1jm7 h SER 80 Cb 1.77 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 63.66 1jm7 h SER 80 CO 0.84 1.72 -1.30 1.56 -0.87 0.00 0.00 176.83 178.78 1jm7 h GLN 81 N -0.06 0.05 -0.06 4.77 1.08 -1.93 -3.09 115.11 115.86 1jm7 h GLN 81 Ca -0.33 -0.09 -0.03 0.00 -1.45 0.00 0.00 58.65 56.75 1jm7 h GLN 81 Cb 1.96 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 29.41 1jm7 h GLN 81 CO 0.13 0.89 -0.12 -0.07 -0.95 0.00 0.00 178.83 178.71 1jm7 h LEU 82 N 0.01 0.09 0.10 1.46 3.38 -1.82 0.57 115.31 119.10 1jm7 h LEU 82 Ca -0.13 -0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.54 1jm7 h LEU 82 Cb 1.89 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.61 1jm7 h LEU 82 CO 0.12 0.22 -1.41 0.58 0.09 0.00 0.00 178.44 178.05 1jm7 h VAL 83 N 0.09 1.29 0.00 1.22 2.07 -1.64 -2.93 116.25 116.36 1jm7 h VAL 83 Ca 0.02 -2.93 -0.01 0.00 0.82 0.00 0.00 66.70 64.60 1jm7 h VAL 83 Cb 0.27 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1jm7 h VAL 83 CO 0.02 0.84 -0.03 -0.33 0.02 0.00 0.00 177.57 178.08 1jm7 h GLU 84 N 0.06 0.02 -0.88 1.57 4.39 -1.37 -3.04 114.58 115.33 1jm7 h GLU 84 Ca -0.19 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.50 1jm7 h GLU 84 Cb 1.98 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 30.59 1jm7 h GLU 84 CO 0.17 0.85 0.58 0.93 -1.16 0.00 0.00 179.01 180.37 1jm7 h GLU 85 N -0.80 1.12 -0.33 2.33 3.07 -0.03 -2.50 114.58 117.44 1jm7 h GLU 85 Ca -0.00 -0.07 0.03 0.00 -0.50 0.00 0.00 59.36 58.82 1jm7 h GLU 85 Cb 0.86 -0.25 -0.03 0.00 -0.84 0.00 0.00 28.75 28.48 1jm7 h GLU 85 CO 0.01 0.74 0.13 1.25 -1.40 0.00 0.00 179.01 179.74 1jm7 h LEU 86 N 1.16 0.16 -1.90 1.33 5.85 -1.61 -1.04 115.31 119.26 1jm7 h LEU 86 Ca 0.33 0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.16 1jm7 h LEU 86 Cb -0.09 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1jm7 h LEU 86 CO -0.09 0.13 0.26 -0.07 -0.34 0.00 0.00 178.44 178.33 1jm7 h LEU 87 N 0.28 0.11 -0.26 2.25 3.38 -1.33 -0.62 115.31 119.11 1jm7 h LEU 87 Ca 0.14 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.91 1jm7 h LEU 87 Cb 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1jm7 h LEU 87 CO -0.13 0.07 -0.79 0.11 0.09 0.00 0.00 178.44 177.78 1jm7 h LYS 88 N 0.12 0.57 -0.15 1.13 1.79 -0.92 -2.96 116.57 116.14 1jm7 h LYS 88 Ca 0.17 -0.49 -0.08 0.00 -2.18 0.00 0.00 60.65 58.07 1jm7 h LYS 88 Cb 0.53 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 1jm7 h LYS 88 CO -0.02 1.11 -0.27 0.82 -1.08 0.00 0.00 179.45 180.01 1jm7 h ILE 89 N 0.38 1.25 -0.36 1.86 2.04 -0.20 -2.42 117.51 120.05 1jm7 h ILE 89 Ca -0.05 -1.20 -0.10 0.00 1.00 0.00 0.00 64.86 64.51 1jm7 h ILE 89 Cb 1.40 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 1jm7 h ILE 89 CO 0.15 0.37 -0.17 0.40 0.00 0.00 0.00 178.15 178.90 1jm7 h ILE 90 N 0.26 1.28 -0.45 -0.67 2.04 -1.30 -2.97 117.51 115.70 1jm7 h ILE 90 Ca 0.04 -1.29 -0.07 0.00 1.00 0.00 0.00 64.86 64.54 1jm7 h ILE 90 Cb 0.62 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1jm7 h ILE 90 CO 0.04 0.43 0.01 0.00 0.00 0.00 0.00 178.15 178.63 1jm7 h ALA 92 N 1.33 1.20 0.56 0.00 0.00 -1.32 0.32 119.26 121.34 1jm7 h ALA 92 Ca 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1jm7 h ALA 92 Cb 0.41 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1jm7 h ALA 92 CO 0.02 0.57 -0.31 0.35 0.00 0.00 0.00 179.25 179.87 1jm7 h PHE 93 N 1.25 -0.81 -0.08 0.00 3.57 -1.33 -2.27 116.94 117.27 1jm7 h PHE 93 Ca 0.35 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 1jm7 h PHE 93 Cb -0.12 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1jm7 h PHE 93 CO -0.01 -0.48 -0.07 -0.56 -2.23 0.00 0.00 178.31 174.96 1jm7 h GLN 94 N -0.81 0.11 -0.81 1.11 3.07 -1.43 0.61 115.11 116.96 1jm7 h GLN 94 Ca -0.07 -0.02 0.01 0.00 0.09 0.00 0.00 58.65 58.66 1jm7 h GLN 94 Cb 0.64 -0.02 -0.04 0.00 0.08 0.00 0.00 27.48 28.14 1jm7 h GLN 94 CO 0.09 0.19 0.53 1.25 0.09 0.00 0.00 178.83 180.98 1jm7 h LEU 95 N 0.11 0.94 0.00 0.06 5.85 -0.50 -1.97 115.31 119.80 1jm7 h LEU 95 Ca 0.03 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1jm7 h LEU 95 Cb 0.20 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1jm7 h LEU 95 CO 0.01 0.68 -0.40 -0.67 -0.34 0.00 0.00 178.44 177.73 1jm7 n ASP 96 N -4.51 0.82 0.32 1.25 2.03 -0.90 -4.72 116.55 110.84 1jm7 n ASP 96 Ca 0.08 0.18 -0.17 0.00 0.52 0.00 0.00 54.79 55.40 1jm7 n ASP 96 Cb 0.02 -0.61 -0.08 0.00 -0.72 0.00 0.00 41.12 39.72 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 -0.43 0.32 0.00 5.18 1.35 0.05 -3.46 112.91 115.92 1jm7 h THR 97 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1jm7 h THR 97 Cb 0.40 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.13 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 -1.47 1.03 3.96 5.82 0.00 -0.74 -4.26 105.19 109.54 1jm7 n GLY 98 Ca -0.12 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 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 3.59 -0.04 0.99 1.02 -1.26 -4.97 118.68 118.02 1jm7 s LEU 99 Ca 0.00 0.15 -0.24 0.00 0.02 0.00 0.00 54.13 54.06 1jm7 s LEU 99 Cb 0.00 -3.04 -0.04 0.00 0.02 0.00 0.00 46.19 43.13 1jm7 s LEU 99 CO 0.00 -0.78 0.74 -1.61 0.02 0.00 0.00 176.35 174.72 1jm7 s GLU 100 N -4.56 4.46 -0.05 1.70 2.02 -1.26 -4.57 118.70 116.44 1jm7 s GLU 100 Ca 0.50 0.97 -0.07 0.00 0.02 0.00 0.00 54.97 56.39 1jm7 s GLU 100 Cb -0.10 -3.43 -0.29 0.00 0.10 0.00 0.00 34.13 30.41 1jm7 s GLU 100 CO 0.37 0.11 0.66 -0.92 0.02 0.00 0.00 175.26 175.50 1jm7 h TYR 101 N 6.51 0.57 -0.27 1.61 3.20 -1.97 -3.45 116.97 123.16 1jm7 h TYR 101 Ca -0.42 -0.42 -0.01 0.00 3.14 0.00 0.00 58.73 61.02 1jm7 h TYR 101 Cb 1.20 -0.02 -0.15 0.00 1.54 0.00 0.00 36.73 39.30 1jm7 h TYR 101 CO 0.65 1.59 -0.17 0.00 -1.64 0.00 0.00 178.16 178.59 1jm7 n ALA 102 N -2.82 -3.54 -1.47 1.82 0.00 -1.26 -5.03 120.51 108.22 1jm7 n ALA 102 Ca -0.23 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1jm7 n ALA 102 Cb 1.06 -3.07 0.00 0.00 0.00 0.00 0.00 19.45 17.45 1jm7 n ALA 102 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79