#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ji7 s ILE 16 N 0.00 2.51 -0.16 0.44 1.01 -1.26 -5.09 121.20 118.65 1ji7 s ILE 16 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 60.65 59.31 1ji7 s ILE 16 Cb 0.00 -2.36 0.03 0.00 0.01 0.00 0.00 42.46 40.13 1ji7 s ILE 16 CO 0.00 0.08 -0.13 -0.13 0.00 0.00 0.00 174.94 174.76 1ji7 s ARG 17 N 1.21 2.19 0.52 2.79 1.81 -1.26 -5.10 118.95 121.12 1ji7 s ARG 17 Ca -0.04 -0.59 -0.19 0.00 -1.72 0.00 0.00 55.73 53.19 1ji7 s ARG 17 Cb -0.18 -2.13 -0.07 0.00 -0.45 0.00 0.00 34.95 32.12 1ji7 s ARG 17 CO -0.05 -0.28 1.05 -0.51 -0.68 0.00 0.00 175.30 174.84 1ji7 s LEU 18 N 1.49 3.74 0.74 2.53 1.43 -1.26 -5.01 118.68 122.33 1ji7 s LEU 18 Ca 0.04 1.93 -0.13 0.00 -1.03 0.00 0.00 54.13 54.94 1ji7 s LEU 18 Cb -0.13 -4.56 0.04 0.00 0.03 0.00 0.00 46.19 41.58 1ji7 s LEU 18 CO -0.10 -0.94 1.12 -2.16 0.23 0.00 0.00 176.35 174.50 1ji7 s PRO 19 N -3.47 2.28 0.31 1.29 0.04 -1.26 -4.83 135.00 129.36 1ji7 s PRO 19 Ca 0.67 1.38 0.09 0.00 0.04 0.00 0.00 61.00 63.18 1ji7 s PRO 19 Cb -0.17 -1.89 0.88 0.00 0.04 0.00 0.00 34.50 33.36 1ji7 s PRO 19 CO 0.25 -1.65 1.70 0.00 0.04 0.00 0.00 177.00 177.35 1ji7 h ALA 20 N -0.68 1.71 0.00 8.56 0.00 -2.02 -0.20 119.26 126.62 1ji7 h ALA 20 Ca -0.45 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ji7 h ALA 20 Cb 1.25 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1ji7 h ALA 20 CO 0.51 -0.35 0.00 -2.39 0.00 0.00 0.00 179.25 177.02 1ji7 n HIS 21 N -4.97 0.00 -0.42 0.00 1.44 -1.26 -2.93 115.22 107.07 1ji7 n HIS 21 Ca 0.26 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 56.00 1ji7 n HIS 21 Cb 0.76 -0.12 0.04 0.00 0.12 0.00 0.00 29.99 30.80 1ji7 n HIS 21 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1ji7 n LEU 22 N -1.12 1.94 0.10 2.39 4.77 -0.09 -4.73 117.00 120.26 1ji7 n LEU 22 Ca 0.12 -2.18 0.12 0.00 -0.03 0.00 0.00 56.01 54.05 1ji7 n LEU 22 Cb 0.10 -0.13 0.45 0.00 -2.33 0.00 0.00 43.42 41.52 1ji7 n LEU 22 CO 0.12 0.53 0.87 0.54 -1.33 0.00 0.00 177.39 178.12 1ji7 n ARG 23 N -0.73 0.21 -1.67 3.23 1.74 -1.15 -4.80 116.66 113.48 1ji7 n ARG 23 Ca 0.05 0.28 -0.34 0.00 -0.77 0.00 0.00 57.85 57.07 1ji7 n ARG 23 Cb 0.39 -1.80 0.06 0.00 -1.02 0.00 0.00 32.46 30.10 1ji7 n ARG 23 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1ji7 s LEU 24 N -4.33 3.39 0.38 0.55 2.34 -1.26 -4.92 118.68 114.83 1ji7 s LEU 24 Ca 0.08 2.16 -0.27 0.00 0.06 0.00 0.00 54.13 56.16 1ji7 s LEU 24 Cb 0.12 -4.57 -0.11 0.00 -0.56 0.00 0.00 46.19 41.07 1ji7 s LEU 24 CO 0.50 -1.85 1.39 0.00 -1.06 0.00 0.00 176.35 175.33 1ji7 n GLN 25 N -2.44 2.35 -0.20 1.48 6.02 -1.26 -4.88 117.38 118.45 1ji7 n GLN 25 Ca 0.12 0.83 0.22 0.00 -0.01 0.00 0.00 57.00 58.15 1ji7 n GLN 25 Cb 0.51 -2.52 0.58 0.00 1.02 0.00 0.00 30.24 29.83 1ji7 n GLN 25 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1ji7 h PRO 26 N 2.61 0.25 0.00 -1.09 0.11 -1.91 0.27 132.00 132.25 1ji7 h PRO 26 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ji7 h PRO 26 Cb 1.27 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ji7 h PRO 26 CO 0.62 0.17 0.00 0.97 -0.21 0.00 0.00 178.00 179.55 1ji7 h ILE 27 N 0.26 0.00 -0.02 4.15 2.10 -1.90 -0.63 117.51 121.47 1ji7 h ILE 27 Ca 0.43 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 66.29 1ji7 h ILE 27 Cb 1.28 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 37.96 1ji7 h ILE 27 CO -0.11 0.00 -0.16 -1.22 -1.08 0.00 0.00 178.15 175.58 1ji7 n TYR 28 N -2.84 0.00 -2.04 2.19 0.53 0.08 -3.79 117.16 111.29 1ji7 n TYR 28 Ca -0.02 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.45 1ji7 n TYR 28 Cb 0.10 0.00 -0.02 0.00 -1.03 0.00 0.00 39.34 38.39 1ji7 n TYR 28 CO 0.00 0.00 0.00 -1.58 -1.02 0.00 0.00 176.86 174.26 1ji7 s TRP 29 N -2.12 3.00 0.83 -0.72 0.51 -0.24 -4.90 118.94 115.29 1ji7 s TRP 29 Ca 0.24 1.21 -0.10 0.00 -2.12 0.00 0.00 56.10 55.33 1ji7 s TRP 29 Cb 0.19 -3.77 0.14 0.00 -0.81 0.00 0.00 33.47 29.21 1ji7 s TRP 29 CO 0.38 -2.33 1.16 -1.54 -0.51 0.00 0.00 176.95 174.11 1ji7 s SER 30 N -0.04 3.96 0.34 2.95 1.04 -1.26 -0.39 113.70 120.30 1ji7 s SER 30 Ca 0.54 0.24 0.02 0.00 0.48 0.00 0.00 55.95 57.23 1ji7 s SER 30 Cb -0.41 -0.56 0.59 0.00 0.10 0.00 0.00 66.02 65.74 1ji7 s SER 30 CO 0.49 -2.17 1.96 -0.09 0.98 0.00 0.00 173.24 174.41 1ji7 h ARG 31 N -1.08 0.79 -0.28 4.02 2.43 -1.95 -1.63 114.38 116.68 1ji7 h ARG 31 Ca -0.43 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 58.53 1ji7 h ARG 31 Cb 1.27 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1ji7 h ARG 31 CO 0.47 0.59 -0.36 0.22 -1.51 0.00 0.00 179.97 179.38 1ji7 h ASP 32 N 0.80 0.65 -0.82 -3.80 3.58 -1.98 -2.39 116.42 112.47 1ji7 h ASP 32 Ca 0.20 -0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 1ji7 h ASP 32 Cb 0.03 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 40.86 1ji7 h ASP 32 CO -0.03 0.95 0.43 0.44 -2.88 0.00 0.00 179.24 178.15 1ji7 h ASP 33 N 0.52 1.04 -0.65 2.28 3.32 -1.72 0.53 116.42 121.73 1ji7 h ASP 33 Ca 0.05 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.02 1ji7 h ASP 33 Cb 0.86 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 1ji7 h ASP 33 CO 0.07 0.85 0.41 0.58 -1.72 0.00 0.00 179.24 179.43 1ji7 h VAL 34 N 1.14 1.10 -0.68 -1.35 2.07 -1.05 0.81 116.25 118.29 1ji7 h VAL 34 Ca 0.29 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 1ji7 h VAL 34 Cb 0.05 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 1ji7 h VAL 34 CO -0.04 0.15 0.19 0.00 0.02 0.00 0.00 177.57 177.88 1ji7 h ALA 35 N 1.27 1.05 -0.49 1.67 0.00 -0.87 -1.46 119.26 120.43 1ji7 h ALA 35 Ca 0.26 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1ji7 h ALA 35 Cb -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1ji7 h ALA 35 CO -0.09 0.64 0.02 1.96 0.00 0.00 0.00 179.25 181.78 1ji7 h GLN 36 N 1.02 0.80 -0.49 0.00 1.08 -0.16 -1.49 115.11 115.88 1ji7 h GLN 36 Ca 0.22 -0.21 -0.03 0.00 -1.45 0.00 0.00 58.65 57.18 1ji7 h GLN 36 Cb 0.32 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 1ji7 h GLN 36 CO -0.00 0.79 0.19 2.35 -0.95 0.00 0.00 178.83 181.21 1ji7 h TRP 37 N 0.75 0.75 -0.86 2.96 7.01 -0.31 -0.85 115.95 125.41 1ji7 h TRP 37 Ca 0.15 -0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.06 1ji7 h TRP 37 Cb 0.42 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 27.22 1ji7 h TRP 37 CO 0.02 0.63 0.42 -0.07 -2.79 0.00 0.00 178.44 176.65 1ji7 h LEU 38 N 0.65 1.12 -0.38 0.65 3.38 -0.90 0.14 115.31 119.97 1ji7 h LEU 38 Ca 0.16 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1ji7 h LEU 38 Cb 0.20 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1ji7 h LEU 38 CO -0.01 0.94 0.16 0.50 0.09 0.00 0.00 178.44 180.11 1ji7 h LYS 39 N 1.22 0.56 -0.29 1.13 3.64 -0.97 -0.98 116.57 120.88 1ji7 h LYS 39 Ca 0.30 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1ji7 h LYS 39 Cb 0.11 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1ji7 h LYS 39 CO -0.04 0.53 0.12 2.35 -2.27 0.00 0.00 179.45 180.13 1ji7 h TRP 40 N 0.47 0.45 -0.62 1.91 7.01 -0.79 -3.05 115.95 121.32 1ji7 h TRP 40 Ca 0.13 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.10 1ji7 h TRP 40 Cb 0.17 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.06 1ji7 h TRP 40 CO -0.00 0.44 0.40 0.00 -2.79 0.00 0.00 178.44 176.49 1ji7 h ALA 41 N 0.96 0.79 -0.74 2.65 0.00 -0.52 0.35 119.26 122.74 1ji7 h ALA 41 Ca 0.10 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1ji7 h ALA 41 Cb 0.18 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1ji7 h ALA 41 CO -0.01 0.23 0.43 1.49 0.00 0.00 0.00 179.25 181.39 1ji7 h GLU 42 N 0.84 0.74 0.08 0.00 4.81 -1.14 -0.76 114.58 119.15 1ji7 h GLU 42 Ca 0.23 -0.04 -0.25 0.00 -0.13 0.00 0.00 59.36 59.16 1ji7 h GLU 42 Cb -0.08 -0.17 0.02 0.00 0.63 0.00 0.00 28.75 29.15 1ji7 h GLU 42 CO -0.05 0.49 -1.03 -0.91 -0.73 0.00 0.00 179.01 176.78 1ji7 h ASN 43 N 0.76 0.77 -0.41 1.04 2.35 -1.37 -1.16 115.58 117.56 1ji7 h ASN 43 Ca 0.34 -0.81 -0.04 0.00 -0.55 0.00 0.00 56.30 55.23 1ji7 h ASN 43 Cb 0.23 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1ji7 h ASN 43 CO -0.20 1.50 0.12 -0.08 -1.65 0.00 0.00 177.43 177.12 1ji7 h GLU 44 N 0.15 0.72 -0.37 0.81 4.57 -0.73 -3.14 114.58 116.58 1ji7 h GLU 44 Ca -0.15 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1ji7 h GLU 44 Cb 1.73 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 30.20 1ji7 h GLU 44 CO 0.20 0.65 0.00 1.19 -1.18 0.00 0.00 179.01 179.87 1ji7 n PHE 45 N -4.30 0.49 -3.79 0.92 3.01 -0.31 -4.99 117.46 108.48 1ji7 n PHE 45 Ca 0.03 -0.39 -0.25 0.00 1.01 0.00 0.00 57.45 57.85 1ji7 n PHE 45 Cb 0.21 -0.02 0.03 0.00 -0.01 0.00 0.00 39.48 39.69 1ji7 n PHE 45 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1ji7 n SER 46 N 0.85 -2.27 -4.92 4.37 7.64 -0.74 -4.97 113.62 113.58 1ji7 n SER 46 Ca 0.14 -0.82 -0.26 0.00 1.01 0.00 0.00 58.87 58.93 1ji7 n SER 46 Cb 0.46 -3.92 0.05 0.00 -1.01 0.00 0.00 64.21 59.79 1ji7 n SER 46 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ji7 s LEU 47 N -6.90 3.05 0.78 -3.43 1.43 -0.52 -5.04 118.68 108.05 1ji7 s LEU 47 Ca 0.22 0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 53.81 1ji7 s LEU 47 Cb -0.11 -3.37 0.06 0.00 0.03 0.00 0.00 46.19 42.80 1ji7 s LEU 47 CO 0.82 -1.29 1.13 -0.13 0.23 0.00 0.00 176.35 177.11 1ji7 s ARG 48 N -5.11 2.04 0.15 1.70 1.81 -1.26 -4.88 118.95 113.40 1ji7 s ARG 48 Ca 0.57 1.41 -0.34 0.00 -1.72 0.00 0.00 55.73 55.65 1ji7 s ARG 48 Cb -0.11 -1.85 -0.15 0.00 -0.45 0.00 0.00 34.95 32.39 1ji7 s ARG 48 CO 0.45 -1.84 1.50 -2.30 -0.68 0.00 0.00 175.30 172.43 1ji7 n PRO 49 N -3.33 1.89 -3.81 3.54 -0.02 -1.26 -4.96 135.00 127.04 1ji7 n PRO 49 Ca 0.11 0.68 -0.36 0.00 -2.02 0.00 0.00 63.50 61.91 1ji7 n PRO 49 Cb 0.52 -2.41 -0.13 0.00 -0.02 0.00 0.00 33.50 31.47 1ji7 n PRO 49 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ji7 s ILE 50 N 0.71 4.22 0.28 4.25 1.01 -1.26 -5.07 121.20 125.33 1ji7 s ILE 50 Ca 0.79 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.94 1ji7 s ILE 50 Cb -0.74 -2.96 -0.11 0.00 0.01 0.00 0.00 42.46 38.66 1ji7 s ILE 50 CO 0.41 0.36 1.51 -0.62 0.00 0.00 0.00 174.94 176.61 1ji7 s ASP 51 N 1.48 6.50 0.21 3.58 -1.08 -1.26 -4.86 116.67 121.23 1ji7 s ASP 51 Ca 0.06 2.84 0.16 0.00 -0.52 0.00 0.00 52.55 55.09 1ji7 s ASP 51 Cb -0.15 -2.63 0.81 0.00 -1.46 0.00 0.00 42.92 39.49 1ji7 s ASP 51 CO 0.03 -0.81 1.50 -1.54 0.52 0.00 0.00 175.17 174.86 1ji7 n SER 52 N 2.05 0.40 -1.17 -0.34 3.41 -1.26 -1.49 113.62 115.23 1ji7 n SER 52 Ca 0.07 0.66 -0.03 0.00 -0.26 0.00 0.00 58.87 59.31 1ji7 n SER 52 Cb 0.39 -0.72 0.21 0.00 -0.26 0.00 0.00 64.21 63.82 1ji7 n SER 52 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ji7 n ASN 53 N -2.01 2.72 0.12 4.04 3.02 -1.26 -4.62 115.26 117.27 1ji7 n ASN 53 Ca -0.00 -3.66 0.01 0.00 -0.03 0.00 0.00 54.58 50.90 1ji7 n ASN 53 Cb 0.07 -0.63 0.35 0.00 -0.61 0.00 0.00 39.78 38.96 1ji7 n ASN 53 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1ji7 h THR 54 N 1.10 1.21 -2.79 3.41 2.02 -1.64 -3.32 112.91 112.90 1ji7 h THR 54 Ca 0.21 -0.98 -0.60 0.00 0.77 0.00 0.00 66.41 65.80 1ji7 h THR 54 Cb 1.68 1.36 -0.40 0.00 -1.74 0.00 0.00 68.15 69.05 1ji7 h THR 54 CO 0.40 0.30 -0.78 -0.36 0.37 0.00 0.00 175.52 175.45 1ji7 s PHE 55 N -4.55 2.01 -1.12 3.16 0.40 -1.26 -4.97 117.98 111.65 1ji7 s PHE 55 Ca -0.05 -2.57 -0.21 0.00 -0.60 0.00 0.00 56.93 53.51 1ji7 s PHE 55 Cb 0.15 -1.72 0.06 0.00 0.51 0.00 0.00 43.02 42.02 1ji7 s PHE 55 CO 0.74 -0.74 1.54 -1.21 0.70 0.00 0.00 175.22 176.25 1ji7 s GLU 56 N -0.13 3.75 0.53 0.44 2.02 -1.25 -4.87 118.70 119.18 1ji7 s GLU 56 Ca 0.24 -1.49 0.08 0.00 0.02 0.00 0.00 54.97 53.82 1ji7 s GLU 56 Cb -0.11 -5.40 0.09 0.00 0.10 0.00 0.00 34.13 28.81 1ji7 s GLU 56 CO -0.10 -2.20 0.73 0.27 0.02 0.00 0.00 175.26 173.97 1ji7 n ASN 58 N 8.57 1.83 -0.18 -0.19 0.23 -1.26 -5.13 115.26 119.12 1ji7 n ASN 58 Ca 0.39 -2.34 -0.02 0.00 -0.53 0.00 0.00 54.58 52.07 1ji7 n ASN 58 Cb 0.49 -0.39 0.19 0.00 -2.08 0.00 0.00 39.78 37.98 1ji7 n ASN 58 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1ji7 h GLY 59 N 0.04 1.01 0.86 4.83 0.00 -0.89 -0.81 103.07 108.12 1ji7 h GLY 59 Ca -0.24 -0.51 0.03 0.00 0.00 0.00 0.00 47.33 46.61 1ji7 h GLY 59 CO 0.34 0.48 0.45 0.50 0.00 0.00 0.00 176.54 178.32 1ji7 h LYS 60 N 0.93 0.86 -0.32 4.80 1.57 -1.72 -1.62 116.57 121.07 1ji7 h LYS 60 Ca 0.22 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.83 1ji7 h LYS 60 Cb 0.15 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1ji7 h LYS 60 CO -0.02 0.57 -0.26 0.00 -0.57 0.00 0.00 179.45 179.17 1ji7 h ALA 61 N 1.31 0.46 -0.92 3.86 0.00 -1.83 -3.10 119.26 119.04 1ji7 h ALA 61 Ca 0.29 -0.39 0.11 0.00 0.00 0.00 0.00 54.91 54.92 1ji7 h ALA 61 Cb 0.03 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 1ji7 h ALA 61 CO -0.11 0.46 0.59 1.25 0.00 0.00 0.00 179.25 181.43 1ji7 h LEU 62 N 0.50 0.81 -0.40 0.00 5.85 -0.63 -0.60 115.31 120.84 1ji7 h LEU 62 Ca 0.06 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1ji7 h LEU 62 Cb 0.82 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1ji7 h LEU 62 CO 0.07 0.46 0.00 0.18 -0.34 0.00 0.00 178.44 178.80 1ji7 n LEU 63 N -4.55 0.38 0.08 2.25 4.77 -0.66 -2.33 117.00 116.94 1ji7 n LEU 63 Ca 0.16 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.85 1ji7 n LEU 63 Cb 0.34 -0.55 0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1ji7 n LEU 63 CO 0.30 -0.43 0.14 -0.07 -1.33 0.00 0.00 177.39 175.99 1ji7 h LEU 64 N 0.00 0.00-10.14 2.23 3.38 -1.15 -3.47 115.31 106.16 1ji7 h LEU 64 Ca 0.00 -0.11 -0.51 0.00 0.09 0.00 0.00 57.88 57.36 1ji7 h LEU 64 Cb 0.31 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.15 1ji7 h LEU 64 CO 0.00 0.05 0.41 -0.76 0.09 0.00 0.00 178.44 178.23 1ji7 s LEU 65 N -4.87 3.59 0.50 1.67 1.43 -0.99 -5.04 118.68 114.97 1ji7 s LEU 65 Ca 0.02 2.11 0.03 0.00 -1.03 0.00 0.00 54.13 55.27 1ji7 s LEU 65 Cb 0.11 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 41.79 1ji7 s LEU 65 CO 0.77 -1.41 0.70 0.42 0.23 0.00 0.00 176.35 177.06 1ji7 s THR 66 N -2.01 2.85 0.28 5.49 -4.23 -1.26 -4.98 115.64 111.78 1ji7 s THR 66 Ca 0.70 -0.76 -0.01 0.00 -1.18 0.00 0.00 61.69 60.44 1ji7 s THR 66 Cb -0.23 -3.03 0.14 0.00 1.34 0.00 0.00 72.50 70.72 1ji7 s THR 66 CO 0.33 -0.02 1.81 0.50 -0.54 0.00 0.00 174.62 176.70 1ji7 h LYS 67 N 0.27 0.79 -0.90 3.99 3.64 -1.97 -1.74 116.57 120.64 1ji7 h LYS 67 Ca -0.42 -0.18 0.05 0.00 -1.27 0.00 0.00 60.65 58.84 1ji7 h LYS 67 Cb 1.29 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 1ji7 h LYS 67 CO 0.50 0.75 0.57 1.49 -2.27 0.00 0.00 179.45 180.49 1ji7 h GLU 68 N 0.75 1.03 -0.67 1.90 4.81 -1.98 -0.41 114.58 120.02 1ji7 h GLU 68 Ca 0.16 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1ji7 h GLU 68 Cb 0.36 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1ji7 h GLU 68 CO 0.01 0.68 0.35 -0.44 -0.73 0.00 0.00 179.01 178.88 1ji7 h ASP 69 N 1.06 0.85 -0.64 1.04 3.32 -1.72 -0.84 116.42 119.49 1ji7 h ASP 69 Ca 0.38 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 1ji7 h ASP 69 Cb 0.11 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1ji7 h ASP 69 CO -0.15 0.71 0.37 -0.26 -1.72 0.00 0.00 179.24 178.18 1ji7 h PHE 70 N 0.92 0.86 -0.77 4.55 -1.00 -0.71 -0.86 116.94 119.92 1ji7 h PHE 70 Ca 0.23 -0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.97 1ji7 h PHE 70 Cb 0.06 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 39.31 1ji7 h PHE 70 CO -0.00 0.60 0.37 0.00 -1.61 0.00 0.00 178.31 177.68 1ji7 h ARG 71 N 0.87 1.11 -0.48 1.51 3.08 -0.64 0.24 114.38 120.05 1ji7 h ARG 71 Ca 0.23 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 1ji7 h ARG 71 Cb 0.01 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 1ji7 h ARG 71 CO -0.04 0.86 0.02 1.88 -1.07 0.00 0.00 179.97 181.62 1ji7 h TYR 72 N 1.08 0.91 -0.09 3.04 0.99 -0.86 -2.97 116.97 119.08 1ji7 h TYR 72 Ca 0.27 -0.15 -0.12 0.00 2.00 0.00 0.00 58.73 60.72 1ji7 h TYR 72 Cb 0.11 -0.24 -0.01 0.00 1.00 0.00 0.00 36.73 37.59 1ji7 h TYR 72 CO 0.01 0.86 -0.49 0.00 -0.00 0.00 0.00 178.16 178.54 1ji7 h ARG 73 N 0.70 0.23 -2.76 4.88 3.08 -0.88 -3.38 114.38 116.25 1ji7 h ARG 73 Ca 0.14 -0.13 -0.60 0.00 0.07 0.00 0.00 59.98 59.46 1ji7 h ARG 73 Cb 0.48 0.01 -0.39 0.00 0.08 0.00 0.00 29.97 30.14 1ji7 h ARG 73 CO 0.02 0.67 -0.80 0.45 -1.07 0.00 0.00 179.97 179.24 1ji7 s SER 74 N -6.88 3.17 0.46 7.04 0.15 0.05 -4.98 113.70 112.70 1ji7 s SER 74 Ca -0.04 -2.56 0.16 0.00 0.70 0.00 0.00 55.95 54.20 1ji7 s SER 74 Cb 0.13 -0.74 1.12 0.00 -1.71 0.00 0.00 66.02 64.82 1ji7 s SER 74 CO 0.78 -0.26 2.01 -0.65 1.20 0.00 0.00 173.24 176.32 1ji7 h PRO 75 N 6.65 0.27 0.00 5.44 0.11 -1.72 0.29 132.00 143.04 1ji7 h PRO 75 Ca 0.06 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.94 1ji7 h PRO 75 Cb 0.93 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.95 1ji7 h PRO 75 CO 0.39 0.18 -1.18 0.45 -0.21 0.00 0.00 178.00 177.64 1ji7 h HIS 76 N 0.28 0.00 0.00 0.65 3.86 -1.94 -3.42 115.15 114.58 1ji7 h HIS 76 Ca 0.23 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1ji7 h HIS 76 Cb 0.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1ji7 h HIS 76 CO -0.00 0.87 0.00 0.43 0.86 0.00 0.00 177.93 180.09 1ji7 n SER 77 N -3.19 0.00 -0.26 2.45 7.64 -1.05 -4.90 113.62 114.31 1ji7 n SER 77 Ca -0.06 -1.00 0.01 0.00 1.01 0.00 0.00 58.87 58.83 1ji7 n SER 77 Cb 0.93 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 64.27 1ji7 n SER 77 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1ji7 h GLY 78 N 0.00 1.14 0.98 0.23 0.00 -0.60 0.19 103.07 105.01 1ji7 h GLY 78 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1ji7 h GLY 78 CO 0.00 0.13 0.23 1.29 0.00 0.00 0.00 176.54 178.19 1ji7 h ASP 79 N 0.72 0.75 -0.53 0.19 3.04 -1.82 -0.64 116.42 118.13 1ji7 h ASP 79 Ca 0.36 -0.16 -0.04 0.00 -3.24 0.00 0.00 57.03 53.95 1ji7 h ASP 79 Cb 0.30 -0.19 -0.02 0.00 -1.04 0.00 0.00 39.33 38.38 1ji7 h ASP 79 CO -0.23 0.70 0.18 -0.08 -2.04 0.00 0.00 179.24 177.77 1ji7 h GLU 80 N 0.74 0.81 -0.61 4.15 4.22 -1.76 -1.54 114.58 120.59 1ji7 h GLU 80 Ca 0.18 -0.17 -0.06 0.00 0.08 0.00 0.00 59.36 59.40 1ji7 h GLU 80 Cb 0.18 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1ji7 h GLU 80 CO -0.02 0.74 0.14 -0.07 -2.18 0.00 0.00 179.01 177.62 1ji7 h LEU 81 N 0.72 0.90 -0.32 1.64 3.38 -0.77 0.70 115.31 121.57 1ji7 h LEU 81 Ca 0.17 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1ji7 h LEU 81 Cb 0.25 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1ji7 h LEU 81 CO -0.01 0.88 0.08 0.22 0.09 0.00 0.00 178.44 179.70 1ji7 h TYR 82 N 0.92 0.54 -0.17 1.13 3.20 -0.84 -0.90 116.97 120.84 1ji7 h TYR 82 Ca 0.19 -0.06 -0.10 0.00 3.14 0.00 0.00 58.73 61.90 1ji7 h TYR 82 Cb 0.34 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1ji7 h TYR 82 CO 0.02 0.56 -0.33 0.93 -1.64 0.00 0.00 178.16 177.71 1ji7 h GLU 83 N 0.36 0.34 -0.51 1.82 4.39 -1.04 -0.88 114.58 119.05 1ji7 h GLU 83 Ca 0.10 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1ji7 h GLU 83 Cb 0.30 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1ji7 h GLU 83 CO 0.00 0.63 0.23 1.25 -1.16 0.00 0.00 179.01 179.97 1ji7 h LEU 84 N 0.29 0.68 -0.58 1.33 5.85 -0.65 -0.29 115.31 121.94 1ji7 h LEU 84 Ca 0.04 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1ji7 h LEU 84 Cb 0.72 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1ji7 h LEU 84 CO 0.05 0.63 0.30 0.25 -0.34 0.00 0.00 178.44 179.34 1ji7 h LEU 85 N 0.68 0.74 -0.98 2.25 5.85 -0.67 -0.80 115.31 122.37 1ji7 h LEU 85 Ca 0.17 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1ji7 h LEU 85 Cb 0.14 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1ji7 h LEU 85 CO -0.02 0.64 0.56 1.56 -0.34 0.00 0.00 178.44 180.84 1ji7 h GLN 86 N 0.78 1.26 -0.43 1.25 1.08 -0.75 -0.36 115.11 117.94 1ji7 h GLN 86 Ca 0.20 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1ji7 h GLN 86 Cb 0.07 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.22 1ji7 h GLN 86 CO -0.03 0.88 0.25 1.25 -0.95 0.00 0.00 178.83 180.23 1ji7 h HIS 87 N 1.28 0.59 -0.85 2.96 2.76 -0.58 -0.54 115.15 120.77 1ji7 h HIS 87 Ca 0.33 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.48 1ji7 h HIS 87 Cb -0.06 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 28.67 1ji7 h HIS 87 CO 0.01 0.43 0.48 0.82 -1.30 0.00 0.00 177.93 178.37 1ji7 h ILE 88 N 0.57 1.25 -0.18 6.26 2.04 -0.47 -1.30 117.51 125.68 1ji7 h ILE 88 Ca 0.15 -0.59 -0.09 0.00 1.00 0.00 0.00 64.86 65.33 1ji7 h ILE 88 Cb 0.03 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 1ji7 h ILE 88 CO -0.03 0.27 -0.30 -0.07 0.00 0.00 0.00 178.15 178.02 1ji7 h LEU 89 N 1.18 0.36 -0.61 1.44 3.38 -0.67 -2.90 115.31 117.49 1ji7 h LEU 89 Ca 0.30 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 1ji7 h LEU 89 Cb 0.01 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1ji7 h LEU 89 CO -0.05 0.65 -0.69 0.11 0.09 0.00 0.00 178.44 178.55 1ji7 h LYS 90 N 0.31 0.04 0.00 1.13 1.57 -0.56 -3.51 116.57 115.55 1ji7 h LYS 90 Ca 0.04 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1ji7 h LYS 90 Cb 0.69 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1ji7 h LYS 90 CO 0.05 0.71 0.00 1.04 -0.57 0.00 0.00 179.45 180.68