#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 2.13 -0.14 -1.33 1.01 -1.26 -5.09 121.20 116.52 1ji7 s ILE 16 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 60.65 59.08 1ji7 s ILE 16 Cb 0.00 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 40.27 1ji7 s ILE 16 CO 0.00 0.00 -0.13 -0.60 0.00 0.00 0.00 174.94 174.22 1ji7 s ARG 17 N 1.13 2.11 0.56 2.79 3.52 -1.26 -5.11 118.95 122.69 1ji7 s ARG 17 Ca -0.08 -0.48 -0.16 0.00 -0.13 0.00 0.00 55.73 54.88 1ji7 s ARG 17 Cb -0.19 -1.98 -0.06 0.00 -1.56 0.00 0.00 34.95 31.16 1ji7 s ARG 17 CO -0.06 -0.24 1.02 -0.51 -0.81 0.00 0.00 175.30 174.70 1ji7 s LEU 18 N 1.54 3.54 0.73 -0.88 1.43 -1.26 -5.03 118.68 118.75 1ji7 s LEU 18 Ca 0.05 1.66 -0.14 0.00 -1.03 0.00 0.00 54.13 54.67 1ji7 s LEU 18 Cb -0.13 -4.52 0.04 0.00 0.03 0.00 0.00 46.19 41.61 1ji7 s LEU 18 CO -0.10 -0.85 1.17 -2.84 0.23 0.00 0.00 176.35 173.95 1ji7 s PRO 19 N -4.15 2.24 0.30 1.29 0.02 -1.26 -4.82 135.00 128.62 1ji7 s PRO 19 Ca 0.61 1.60 0.05 0.00 0.02 0.00 0.00 61.00 63.28 1ji7 s PRO 19 Cb -0.12 -1.86 0.72 0.00 0.02 0.00 0.00 34.50 33.25 1ji7 s PRO 19 CO 0.35 -1.72 1.77 0.00 -0.33 0.00 0.00 177.00 177.07 1ji7 h ALA 20 N -0.38 1.63 0.00 -1.55 0.00 -2.02 -0.22 119.26 116.71 1ji7 h ALA 20 Ca -0.47 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1ji7 h ALA 20 Cb 1.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ji7 h ALA 20 CO 0.50 -0.07 0.00 -2.39 0.00 0.00 0.00 179.25 177.30 1ji7 n HIS 21 N -4.79 0.00 -0.07 0.00 1.44 -1.26 -2.64 115.22 107.90 1ji7 n HIS 21 Ca 0.23 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.96 1ji7 n HIS 21 Cb 0.56 -0.41 0.05 0.00 0.12 0.00 0.00 29.99 30.32 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 -1.41 2.32 0.00 2.39 4.77 -0.10 -4.70 117.00 120.27 1ji7 n LEU 22 Ca 0.04 -2.01 0.10 0.00 -0.03 0.00 0.00 56.01 54.11 1ji7 n LEU 22 Cb 0.12 -0.08 0.53 0.00 -2.33 0.00 0.00 43.42 41.65 1ji7 n LEU 22 CO 0.10 0.58 0.83 0.54 -1.33 0.00 0.00 177.39 178.11 1ji7 n ARG 23 N -0.17 0.31 -1.78 3.23 1.74 -1.08 -4.79 116.66 114.12 1ji7 n ARG 23 Ca 0.04 0.09 -0.31 0.00 -0.77 0.00 0.00 57.85 56.89 1ji7 n ARG 23 Cb 0.31 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.28 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 -2.55 3.27 0.36 0.55 2.34 -1.26 -4.97 118.68 116.41 1ji7 s LEU 24 Ca 0.20 1.63 -0.28 0.00 0.06 0.00 0.00 54.13 55.73 1ji7 s LEU 24 Cb 0.14 -4.50 -0.11 0.00 -0.56 0.00 0.00 46.19 41.16 1ji7 s LEU 24 CO 0.31 -1.23 1.48 0.00 -1.06 0.00 0.00 176.35 175.85 1ji7 n GLN 25 N -2.71 2.60 -0.19 1.48 6.02 -1.26 -4.87 117.38 118.44 1ji7 n GLN 25 Ca 0.07 0.91 0.25 0.00 -0.01 0.00 0.00 57.00 58.23 1ji7 n GLN 25 Cb 0.53 -2.63 0.65 0.00 1.02 0.00 0.00 30.24 29.82 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 3.18 0.13 0.00 -1.09 0.11 -1.93 -0.32 132.00 132.07 1ji7 h PRO 26 Ca -0.49 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ji7 h PRO 26 Cb 1.25 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ji7 h PRO 26 CO 0.66 0.08 -0.00 0.97 -0.21 0.00 0.00 178.00 179.50 1ji7 h ILE 27 N 0.13 0.06 -0.01 4.15 2.10 -1.89 -0.79 117.51 121.26 1ji7 h ILE 27 Ca 0.44 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 66.37 1ji7 h ILE 27 Cb 1.51 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 38.25 1ji7 h ILE 27 CO -0.07 0.00 -0.58 -1.22 -1.08 0.00 0.00 178.15 175.20 1ji7 n TYR 28 N -3.16 0.00 -1.82 2.19 0.53 -0.13 -3.54 117.16 111.23 1ji7 n TYR 28 Ca -0.03 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.44 1ji7 n TYR 28 Cb 0.07 -0.07 -0.01 0.00 -1.03 0.00 0.00 39.34 38.31 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 -2.72 2.72 0.83 -0.72 0.51 -0.30 -4.89 118.94 114.37 1ji7 s TRP 29 Ca 0.16 0.97 -0.08 0.00 -2.12 0.00 0.00 56.10 55.03 1ji7 s TRP 29 Cb 0.18 -4.02 0.16 0.00 -0.81 0.00 0.00 33.47 28.98 1ji7 s TRP 29 CO 0.67 -3.24 1.14 -1.54 -0.51 0.00 0.00 176.95 173.47 1ji7 s SER 30 N 0.20 3.79 0.25 2.95 1.04 -1.26 -0.86 113.70 119.82 1ji7 s SER 30 Ca 0.58 -0.08 -0.06 0.00 0.48 0.00 0.00 55.95 56.88 1ji7 s SER 30 Cb -0.47 -0.15 0.27 0.00 0.10 0.00 0.00 66.02 65.77 1ji7 s SER 30 CO 0.54 -2.26 1.92 0.03 0.98 0.00 0.00 173.24 174.45 1ji7 h ARG 31 N -1.04 1.29 -0.47 4.02 3.08 -1.95 -1.23 114.38 118.09 1ji7 h ARG 31 Ca -0.40 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 59.46 1ji7 h ARG 31 Cb 1.25 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 1ji7 h ARG 31 CO 0.39 0.87 -0.10 0.22 -1.07 0.00 0.00 179.97 180.28 1ji7 h ASP 32 N 1.33 0.84 -0.74 7.04 3.58 -1.99 -2.01 116.42 124.46 1ji7 h ASP 32 Ca 0.35 -0.26 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 1ji7 h ASP 32 Cb -0.12 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.67 1ji7 h ASP 32 CO -0.07 0.96 0.35 0.44 -2.88 0.00 0.00 179.24 178.04 1ji7 h ASP 33 N 0.77 0.97 -0.61 2.28 3.32 -1.72 0.72 116.42 122.15 1ji7 h ASP 33 Ca 0.13 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1ji7 h ASP 33 Cb 0.61 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1ji7 h ASP 33 CO 0.04 0.84 0.34 0.58 -1.72 0.00 0.00 179.24 179.31 1ji7 h VAL 34 N 1.04 1.20 -0.81 -1.35 2.07 -0.97 0.12 116.25 117.54 1ji7 h VAL 34 Ca 0.25 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1ji7 h VAL 34 Cb 0.13 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 1ji7 h VAL 34 CO -0.03 0.21 0.34 0.00 0.02 0.00 0.00 177.57 178.11 1ji7 h ALA 35 N 1.16 1.04 -0.43 1.67 0.00 -0.83 -1.24 119.26 120.63 1ji7 h ALA 35 Ca 0.22 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1ji7 h ALA 35 Cb 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1ji7 h ALA 35 CO -0.04 0.66 -0.08 1.96 0.00 0.00 0.00 179.25 181.76 1ji7 h GLN 36 N 1.17 0.74 -0.44 0.00 1.08 -0.29 -1.82 115.11 115.54 1ji7 h GLN 36 Ca 0.27 -0.23 -0.04 0.00 -1.45 0.00 0.00 58.65 57.20 1ji7 h GLN 36 Cb 0.20 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 1ji7 h GLN 36 CO -0.02 0.80 0.11 2.35 -0.95 0.00 0.00 178.83 181.11 1ji7 h TRP 37 N 0.68 0.75 -0.72 2.96 7.01 -0.29 -0.04 115.95 126.30 1ji7 h TRP 37 Ca 0.12 -0.09 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 1ji7 h TRP 37 Cb 0.53 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.35 1ji7 h TRP 37 CO 0.03 0.69 0.40 -0.07 -2.79 0.00 0.00 178.44 176.70 1ji7 h LEU 38 N 0.59 0.89 -0.43 0.65 3.38 -0.98 0.35 115.31 119.77 1ji7 h LEU 38 Ca 0.14 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1ji7 h LEU 38 Cb 0.32 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1ji7 h LEU 38 CO 0.00 0.73 0.02 0.50 0.09 0.00 0.00 178.44 179.78 1ji7 h LYS 39 N 0.98 0.74 -0.52 1.13 3.11 -1.12 -1.28 116.57 119.62 1ji7 h LYS 39 Ca 0.25 -0.22 -0.01 0.00 -2.81 0.00 0.00 60.65 57.86 1ji7 h LYS 39 Cb 0.03 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.16 1ji7 h LYS 39 CO -0.04 0.80 0.30 2.35 -2.81 0.00 0.00 179.45 180.05 1ji7 h TRP 40 N 0.58 0.69 -0.76 1.91 7.01 -0.68 -2.66 115.95 122.04 1ji7 h TRP 40 Ca 0.12 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.09 1ji7 h TRP 40 Cb 0.45 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.25 1ji7 h TRP 40 CO 0.03 0.49 0.36 0.00 -2.79 0.00 0.00 178.44 176.53 1ji7 h ALA 41 N 1.14 0.98 -0.46 2.65 0.00 -0.74 0.06 119.26 122.88 1ji7 h ALA 41 Ca 0.18 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1ji7 h ALA 41 Cb 0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 1ji7 h ALA 41 CO -0.03 0.54 0.16 1.49 0.00 0.00 0.00 179.25 181.41 1ji7 h GLU 42 N 1.07 0.32 -0.09 0.00 4.81 -0.99 -0.47 114.58 119.22 1ji7 h GLU 42 Ca 0.26 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.34 1ji7 h GLU 42 Cb 0.12 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.44 1ji7 h GLU 42 CO -0.03 0.21 -0.44 -0.91 -0.73 0.00 0.00 179.01 177.11 1ji7 h ASN 43 N 0.32 0.55 0.33 1.04 -0.26 -1.15 -1.32 115.58 115.09 1ji7 h ASN 43 Ca 0.22 -0.64 -0.08 0.00 -0.56 0.00 0.00 56.30 55.23 1ji7 h ASN 43 Cb 0.22 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.31 1ji7 h ASN 43 CO -0.23 1.10 -0.37 -0.08 -1.06 0.00 0.00 177.43 176.79 1ji7 h GLU 44 N 0.03 0.07 -0.14 0.81 4.57 -0.86 -3.25 114.58 115.81 1ji7 h GLU 44 Ca -0.03 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1ji7 h GLU 44 Cb 1.08 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1ji7 h GLU 44 CO 0.09 0.44 0.00 1.19 -1.18 0.00 0.00 179.01 179.55 1ji7 n PHE 45 N -4.08 0.19 -3.61 0.92 3.01 -0.20 -5.01 117.46 108.68 1ji7 n PHE 45 Ca -0.02 -0.32 -0.22 0.00 1.01 0.00 0.00 57.45 57.91 1ji7 n PHE 45 Cb 0.42 -0.02 0.07 0.00 -0.01 0.00 0.00 39.48 39.93 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 0.25 -3.74 -4.91 4.37 7.64 -0.58 -4.99 113.62 111.66 1ji7 n SER 46 Ca 0.06 -0.66 -0.27 0.00 1.01 0.00 0.00 58.87 59.02 1ji7 n SER 46 Cb 0.30 -4.70 0.01 0.00 -1.01 0.00 0.00 64.21 58.80 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 -6.88 3.47 0.23 -3.43 1.43 -0.71 -5.03 118.68 107.76 1ji7 s LEU 47 Ca 0.30 0.83 -0.30 0.00 -1.03 0.00 0.00 54.13 53.93 1ji7 s LEU 47 Cb -0.14 -3.73 -0.09 0.00 0.03 0.00 0.00 46.19 42.26 1ji7 s LEU 47 CO 0.76 -0.78 1.12 0.00 0.23 0.00 0.00 176.35 177.68 1ji7 s ARG 48 N -4.84 4.60 0.38 1.70 1.70 -1.26 -4.87 118.95 116.36 1ji7 s ARG 48 Ca 0.50 1.79 -0.28 0.00 -0.47 0.00 0.00 55.73 57.27 1ji7 s ARG 48 Cb -0.10 -3.23 -0.11 0.00 -0.57 0.00 0.00 34.95 30.94 1ji7 s ARG 48 CO 0.45 0.12 1.48 -2.14 -1.08 0.00 0.00 175.30 174.13 1ji7 s PRO 49 N -0.90 4.12 0.20 3.89 0.02 -1.26 -4.92 135.00 136.15 1ji7 s PRO 49 Ca 0.47 2.56 0.05 0.00 0.02 0.00 0.00 61.00 64.10 1ji7 s PRO 49 Cb -0.31 -2.97 -0.05 0.00 0.02 0.00 0.00 34.50 31.19 1ji7 s PRO 49 CO 0.38 -0.52 -0.06 0.96 -0.33 0.00 0.00 177.00 177.43 1ji7 s ILE 50 N -1.12 1.20 -0.26 2.83 -4.36 -1.26 -5.10 121.20 113.13 1ji7 s ILE 50 Ca 0.53 -2.07 -0.29 0.00 -0.26 0.00 0.00 60.65 58.56 1ji7 s ILE 50 Cb -0.46 -2.13 0.01 0.00 1.25 0.00 0.00 42.46 41.13 1ji7 s ILE 50 CO 0.63 -0.52 1.09 -0.62 0.24 0.00 0.00 174.94 175.76 1ji7 s ASP 51 N -3.26 7.01 0.58 4.36 -1.08 -1.26 -4.89 116.67 118.13 1ji7 s ASP 51 Ca 0.23 1.29 0.28 0.00 -0.52 0.00 0.00 52.55 53.84 1ji7 s ASP 51 Cb 0.04 -2.54 1.68 0.00 -1.46 0.00 0.00 42.92 40.64 1ji7 s ASP 51 CO 0.05 -0.77 2.15 0.77 0.52 0.00 0.00 175.17 177.89 1ji7 h SER 52 N 7.84 0.00 0.13 -0.34 4.64 -1.96 -0.58 113.55 123.28 1ji7 h SER 52 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1ji7 h SER 52 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1ji7 h SER 52 CO 1.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 177.55 1ji7 n ASN 53 N -3.87 0.00 0.23 4.97 3.02 -1.26 -1.11 115.26 117.24 1ji7 n ASN 53 Ca 0.00 0.17 0.12 0.00 -0.03 0.00 0.00 54.58 54.84 1ji7 n ASN 53 Cb 0.25 -0.28 0.41 0.00 -0.61 0.00 0.00 39.78 39.55 1ji7 n ASN 53 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1ji7 h THR 54 N 0.00 0.29 -2.71 3.41 1.35 -1.47 -3.20 112.91 110.57 1ji7 h THR 54 Ca 0.00 -1.03 -0.66 0.00 -0.55 0.00 0.00 66.41 64.17 1ji7 h THR 54 Cb 0.07 1.82 -0.38 0.00 -1.73 0.00 0.00 68.15 67.92 1ji7 h THR 54 CO 0.00 0.13 -0.26 0.49 -0.25 0.00 0.00 175.52 175.64 1ji7 n PHE 55 N -3.21 3.49 -2.70 4.73 3.01 -0.27 -4.95 117.46 117.57 1ji7 n PHE 55 Ca 0.01 -3.93 -0.43 0.00 1.01 0.00 0.00 57.45 54.11 1ji7 n PHE 55 Cb 0.45 -0.81 -0.00 0.00 -0.01 0.00 0.00 39.48 39.11 1ji7 n PHE 55 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1ji7 s GLU 56 N -2.13 4.02 0.40 -1.08 -6.30 -1.22 -4.92 118.70 107.48 1ji7 s GLU 56 Ca 0.33 -2.19 0.06 0.00 -2.50 0.00 0.00 54.97 50.67 1ji7 s GLU 56 Cb 0.05 -5.38 0.06 0.00 0.00 0.00 0.00 34.13 28.87 1ji7 s GLU 56 CO -0.05 -2.09 0.52 0.27 0.02 0.00 0.00 175.26 173.93 1ji7 n ASN 58 N 7.48 1.56 -0.03 -1.70 0.23 -1.26 -5.11 115.26 116.42 1ji7 n ASN 58 Ca 0.45 -2.10 -0.05 0.00 -0.53 0.00 0.00 54.58 52.35 1ji7 n ASN 58 Cb 0.45 -0.26 0.16 0.00 -2.08 0.00 0.00 39.78 38.05 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 0.11 0.65 1.04 4.83 0.00 -1.16 -0.49 103.07 108.05 1ji7 h GLY 59 Ca -0.19 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.58 1ji7 h GLY 59 CO 0.28 0.48 0.42 1.70 0.00 0.00 0.00 176.54 179.43 1ji7 h LYS 60 N 0.54 1.23 -0.05 4.80 3.64 -1.69 -1.35 116.57 123.68 1ji7 h LYS 60 Ca 0.08 -0.17 -0.23 0.00 -1.27 0.00 0.00 60.65 59.06 1ji7 h LYS 60 Cb 0.66 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1ji7 h LYS 60 CO 0.05 0.93 -0.88 0.00 -2.27 0.00 0.00 179.45 177.28 1ji7 h ALA 61 N 1.23 0.35 -0.89 5.00 0.00 -1.88 -3.19 119.26 119.87 1ji7 h ALA 61 Ca 0.30 -0.66 0.09 0.00 0.00 0.00 0.00 54.91 54.64 1ji7 h ALA 61 Cb 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1ji7 h ALA 61 CO -0.04 0.74 0.58 1.25 0.00 0.00 0.00 179.25 181.78 1ji7 h LEU 62 N 0.35 0.81 -0.55 0.00 5.85 -0.55 -0.47 115.31 120.76 1ji7 h LEU 62 Ca -0.07 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1ji7 h LEU 62 Cb 1.51 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1ji7 h LEU 62 CO 0.16 0.48 0.00 0.18 -0.34 0.00 0.00 178.44 178.93 1ji7 n LEU 63 N -4.53 0.35 0.06 2.25 4.77 -0.56 -2.09 117.00 117.25 1ji7 n LEU 63 Ca 0.15 0.61 -0.03 0.00 -0.03 0.00 0.00 56.01 56.72 1ji7 n LEU 63 Cb 0.30 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 40.71 1ji7 n LEU 63 CO 0.31 -0.56 0.01 -0.07 -1.33 0.00 0.00 177.39 175.75 1ji7 h LEU 64 N 0.00 0.00-10.02 2.23 3.38 -1.19 -3.47 115.31 106.25 1ji7 h LEU 64 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1ji7 h LEU 64 Cb 0.19 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.06 1ji7 h LEU 64 CO 0.00 0.75 0.64 -0.76 0.09 0.00 0.00 178.44 179.16 1ji7 s LEU 65 N -6.29 3.99 0.66 1.67 1.43 -0.89 -5.03 118.68 114.22 1ji7 s LEU 65 Ca -0.00 2.80 -0.04 0.00 -1.03 0.00 0.00 54.13 55.86 1ji7 s LEU 65 Cb 0.09 -4.11 0.06 0.00 0.03 0.00 0.00 46.19 42.25 1ji7 s LEU 65 CO 0.80 -1.33 0.94 0.42 0.23 0.00 0.00 176.35 177.40 1ji7 s THR 66 N -1.27 2.39 0.29 5.49 -4.23 -1.26 -4.95 115.64 112.09 1ji7 s THR 66 Ca 0.66 -0.40 -0.01 0.00 -1.18 0.00 0.00 61.69 60.76 1ji7 s THR 66 Cb -0.41 -2.98 0.16 0.00 1.34 0.00 0.00 72.50 70.61 1ji7 s THR 66 CO 0.51 0.00 1.84 0.50 -0.54 0.00 0.00 174.62 176.93 1ji7 h LYS 67 N -0.40 0.83 -0.25 3.99 3.64 -1.98 -1.77 116.57 120.63 1ji7 h LYS 67 Ca -0.43 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 58.75 1ji7 h LYS 67 Cb 1.31 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1ji7 h LYS 67 CO 0.57 0.73 -0.02 1.49 -2.27 0.00 0.00 179.45 179.94 1ji7 h GLU 68 N 0.80 0.39 -0.33 1.90 4.57 -1.98 -0.35 114.58 119.58 1ji7 h GLU 68 Ca 0.18 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.23 1ji7 h GLU 68 Cb 0.26 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1ji7 h GLU 68 CO -0.01 0.43 -0.05 -0.44 -1.18 0.00 0.00 179.01 177.77 1ji7 h ASP 69 N 0.37 0.51 -0.26 1.04 3.32 -1.70 -1.00 116.42 118.70 1ji7 h ASP 69 Ca 0.08 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 56.91 1ji7 h ASP 69 Cb 0.29 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 1ji7 h ASP 69 CO 0.01 0.61 -0.29 -0.26 -1.72 0.00 0.00 179.24 177.59 1ji7 h PHE 70 N 0.51 0.80 -0.66 4.55 -1.00 -0.88 -2.93 116.94 117.33 1ji7 h PHE 70 Ca 0.10 -0.25 -0.03 0.00 2.81 0.00 0.00 57.97 60.61 1ji7 h PHE 70 Cb 0.40 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.76 1ji7 h PHE 70 CO 0.01 0.98 0.30 0.00 -1.61 0.00 0.00 178.31 178.00 1ji7 h ARG 71 N 0.39 0.96 0.00 1.51 3.08 -0.65 -0.34 114.38 119.33 1ji7 h ARG 71 Ca 0.04 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 1ji7 h ARG 71 Cb 0.86 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1ji7 h ARG 71 CO 0.07 0.78 -0.44 0.10 -1.07 0.00 0.00 179.97 179.40 1ji7 h TYR 72 N 0.92 0.00 -0.06 3.04 -0.00 -1.26 -2.22 116.97 117.39 1ji7 h TYR 72 Ca 0.23 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 58.75 1ji7 h TYR 72 Cb 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.87 1ji7 h TYR 72 CO 0.01 0.44 -0.80 0.00 -0.00 0.00 0.00 178.16 177.80 1ji7 h ARG 73 N 0.00 0.46 -2.75 0.10 3.08 -1.28 -3.39 114.38 110.60 1ji7 h ARG 73 Ca -0.00 -0.41 -0.59 0.00 0.07 0.00 0.00 59.98 59.04 1ji7 h ARG 73 Cb 1.01 0.10 -0.39 0.00 0.08 0.00 0.00 29.97 30.76 1ji7 h ARG 73 CO 0.06 1.05 -0.81 0.45 -1.07 0.00 0.00 179.97 179.65 1ji7 s SER 74 N -7.03 3.18 0.56 7.04 0.15 -0.17 -4.97 113.70 112.47 1ji7 s SER 74 Ca -0.06 -2.46 0.26 0.00 0.70 0.00 0.00 55.95 54.39 1ji7 s SER 74 Cb 0.10 -0.69 1.54 0.00 -1.71 0.00 0.00 66.02 65.26 1ji7 s SER 74 CO 0.86 -0.28 2.08 -0.65 1.20 0.00 0.00 173.24 176.45 1ji7 h PRO 75 N 6.77 0.00 0.00 5.44 0.11 -1.62 0.25 132.00 142.96 1ji7 h PRO 75 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1ji7 h PRO 75 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1ji7 h PRO 75 CO 0.37 0.00 -1.35 0.72 -0.21 0.00 0.00 178.00 177.53 1ji7 n HIS 76 N -4.05 0.14 -0.74 0.65 8.25 -1.26 -4.67 115.22 113.54 1ji7 n HIS 76 Ca 0.03 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1ji7 n HIS 76 Cb 0.35 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1ji7 n HIS 76 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ji7 n SER 77 N -1.97 0.00 -0.21 0.41 7.64 -1.07 -4.83 113.62 113.59 1ji7 n SER 77 Ca 0.00 -0.64 -0.00 0.00 1.01 0.00 0.00 58.87 59.24 1ji7 n SER 77 Cb 0.46 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.77 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 0.88 1.00 0.23 0.00 -0.68 -0.15 103.07 104.35 1ji7 h GLY 78 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 1ji7 h GLY 78 CO 0.00 0.01 0.34 1.29 0.00 0.00 0.00 176.54 178.18 1ji7 h ASP 79 N 0.45 0.84 -0.32 0.19 -0.00 -1.83 -0.55 116.42 115.21 1ji7 h ASP 79 Ca 0.31 -0.11 -0.01 0.00 -0.00 0.00 0.00 57.03 57.22 1ji7 h ASP 79 Cb 0.36 -0.22 -0.01 0.00 -0.00 0.00 0.00 39.33 39.46 1ji7 h ASP 79 CO -0.29 0.71 0.16 -0.08 -0.00 0.00 0.00 179.24 179.75 1ji7 h GLU 80 N 0.91 0.45 -0.92 4.15 4.57 -1.77 -1.22 114.58 120.75 1ji7 h GLU 80 Ca 0.23 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 1ji7 h GLU 80 Cb 0.07 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 1ji7 h GLU 80 CO -0.03 0.40 0.52 -0.07 -1.18 0.00 0.00 179.01 178.64 1ji7 h LEU 81 N 0.38 1.13 -0.37 1.64 3.38 -0.77 0.23 115.31 120.93 1ji7 h LEU 81 Ca 0.11 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1ji7 h LEU 81 Cb 0.09 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1ji7 h LEU 81 CO -0.02 0.90 0.07 0.22 0.09 0.00 0.00 178.44 179.70 1ji7 h TYR 82 N 1.28 0.65 -0.14 1.13 3.20 -0.80 -0.66 116.97 121.63 1ji7 h TYR 82 Ca 0.32 -0.09 -0.10 0.00 3.14 0.00 0.00 58.73 62.01 1ji7 h TYR 82 Cb 0.00 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1ji7 h TYR 82 CO 0.01 0.65 -0.35 0.93 -1.64 0.00 0.00 178.16 177.75 1ji7 h GLU 83 N 0.46 0.30 -0.50 1.82 4.39 -0.77 -1.18 114.58 119.10 1ji7 h GLU 83 Ca 0.12 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1ji7 h GLU 83 Cb 0.34 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1ji7 h GLU 83 CO 0.00 0.62 0.19 1.25 -1.16 0.00 0.00 179.01 179.92 1ji7 h LEU 84 N 0.26 0.69 -0.86 1.33 5.85 -0.28 -0.48 115.31 121.83 1ji7 h LEU 84 Ca 0.03 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 1ji7 h LEU 84 Cb 0.75 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1ji7 h LEU 84 CO 0.06 0.68 0.38 0.25 -0.34 0.00 0.00 178.44 179.47 1ji7 h LEU 85 N 0.67 1.11 -0.84 2.25 5.85 -0.70 -1.18 115.31 122.46 1ji7 h LEU 85 Ca 0.17 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1ji7 h LEU 85 Cb 0.21 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1ji7 h LEU 85 CO -0.01 0.94 0.22 1.56 -0.34 0.00 0.00 178.44 180.81 1ji7 h GLN 86 N 1.20 1.08 -0.60 1.25 1.08 -0.70 -0.63 115.11 117.79 1ji7 h GLN 86 Ca 0.28 -0.22 -0.03 0.00 -1.45 0.00 0.00 58.65 57.23 1ji7 h GLN 86 Cb 0.15 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 1ji7 h GLN 86 CO -0.03 0.92 0.26 1.25 -0.95 0.00 0.00 178.83 180.28 1ji7 h HIS 87 N 1.04 0.88 -0.63 2.96 2.76 -0.62 -0.72 115.15 120.83 1ji7 h HIS 87 Ca 0.23 -0.05 -0.04 0.00 -2.20 0.00 0.00 60.37 58.31 1ji7 h HIS 87 Cb 0.29 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 28.96 1ji7 h HIS 87 CO 0.02 0.69 0.25 0.82 -1.30 0.00 0.00 177.93 178.41 1ji7 h ILE 88 N 0.82 1.23 -0.49 6.26 2.04 -0.73 -1.69 117.51 124.94 1ji7 h ILE 88 Ca 0.20 -0.73 -0.07 0.00 1.00 0.00 0.00 64.86 65.26 1ji7 h ILE 88 Cb 0.16 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1ji7 h ILE 88 CO -0.02 0.29 0.01 -0.07 0.00 0.00 0.00 178.15 178.35 1ji7 h LEU 89 N 0.88 0.79 -1.15 1.44 3.38 -0.83 -2.76 115.31 117.07 1ji7 h LEU 89 Ca 0.21 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1ji7 h LEU 89 Cb 0.20 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1ji7 h LEU 89 CO -0.02 0.85 -0.35 0.11 0.09 0.00 0.00 178.44 179.12 1ji7 h LYS 90 N 0.77 0.00 0.00 1.13 1.57 -0.74 -3.52 116.57 115.78 1ji7 h LYS 90 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1ji7 h LYS 90 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1ji7 h LYS 90 CO 0.02 0.35 0.00 1.04 -0.57 0.00 0.00 179.45 180.29