#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag4 n ILE 8 N 0.00 0.00 -0.14 -0.18 0.13 -1.26 -5.03 119.36 112.88 3ag4 n ILE 8 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 3ag4 n ILE 8 Cb 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 3ag4 n ILE 8 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 3ag4 n LYS 9 N -2.00 0.62 0.00 9.51 3.00 -1.26 -4.89 118.16 123.14 3ag4 n LYS 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3ag4 n LYS 9 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3ag4 n LYS 9 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3ag4 n ASN 10 N -0.66 0.00 -4.68 3.14 5.15 -1.26 -5.11 115.26 111.84 3ag4 n ASN 10 Ca 0.00 0.00 -0.49 0.00 -0.60 0.00 0.00 54.58 53.49 3ag4 n ASN 10 Cb 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.20 3ag4 n ASN 10 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ag4 n TYR 11 N -0.47 2.26 -0.03 1.20 4.19 -1.26 -4.93 117.16 118.12 3ag4 n TYR 11 Ca 0.00 0.13 -0.02 0.00 3.31 0.00 0.00 57.90 61.32 3ag4 n TYR 11 Cb 0.00 -2.61 -0.01 0.00 0.49 0.00 0.00 39.34 37.22 3ag4 n TYR 11 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 3ag4 n GLN 12 N 5.77 0.18 -4.19 2.98 6.02 -1.26 -5.07 117.38 121.80 3ag4 n GLN 12 Ca 0.22 0.36 -0.15 0.00 -0.01 0.00 0.00 57.00 57.42 3ag4 n GLN 12 Cb 0.27 -1.12 -0.08 0.00 1.02 0.00 0.00 30.24 30.33 3ag4 n GLN 12 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3ag4 s THR 13 N -1.49 0.00 0.07 5.09 -1.32 -1.26 -5.12 115.64 111.60 3ag4 s THR 13 Ca -0.06 -1.87 -0.31 0.00 -1.21 0.00 0.00 61.69 58.24 3ag4 s THR 13 Cb 0.01 -2.49 -0.08 0.00 -1.51 0.00 0.00 72.50 68.43 3ag4 s THR 13 CO 0.09 0.00 1.56 0.00 -2.21 0.00 0.00 174.62 174.06 3ag4 s ALA 14 N -3.72 3.66 0.74 11.08 0.00 -1.26 -4.99 121.76 127.27 3ag4 s ALA 14 Ca 0.36 1.14 -0.11 0.00 0.00 0.00 0.00 51.96 53.35 3ag4 s ALA 14 Cb 0.03 -3.65 0.04 0.00 0.00 0.00 0.00 23.12 19.55 3ag4 s ALA 14 CO 0.18 -0.98 1.09 -1.25 0.00 0.00 0.00 175.76 174.81 3ag4 s PRO 15 N 2.28 2.41 0.23 0.00 0.04 -1.26 -5.00 135.00 133.70 3ag4 s PRO 15 Ca 0.70 1.20 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 3ag4 s PRO 15 Cb -0.38 -1.91 -0.15 0.00 0.04 0.00 0.00 34.50 32.10 3ag4 s PRO 15 CO 0.31 -1.53 1.06 0.34 0.04 0.00 0.00 177.00 177.21 3ag4 n PHE 16 N -3.27 1.19 -3.89 0.56 -0.00 -1.26 -4.98 117.46 105.80 3ag4 n PHE 16 Ca 0.09 0.71 -0.27 0.00 -0.00 0.00 0.00 57.45 57.97 3ag4 n PHE 16 Cb 0.53 -2.25 -0.17 0.00 -0.00 0.00 0.00 39.48 37.59 3ag4 n PHE 16 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3ag4 s ASP 17 N -0.32 2.52 0.54 -2.13 -1.08 -1.26 -5.01 116.67 109.94 3ag4 s ASP 17 Ca 0.66 -0.50 0.29 0.00 -0.52 0.00 0.00 52.55 52.47 3ag4 s ASP 17 Cb -0.78 -0.86 1.58 0.00 -1.46 0.00 0.00 42.92 41.39 3ag4 s ASP 17 CO 0.56 -0.16 2.13 0.77 0.52 0.00 0.00 175.17 178.99 3ag4 h SER 18 N 8.15 0.00 0.06 -0.34 4.64 -2.00 0.01 113.55 124.07 3ag4 h SER 18 Ca -0.26 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3ag4 h SER 18 Cb 1.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3ag4 h SER 18 CO 0.40 0.08 -0.01 0.03 -0.87 0.00 0.00 176.83 176.46 3ag4 h ARG 19 N 0.00 0.00 -2.02 4.77 3.08 -2.02 -3.34 114.38 114.84 3ag4 h ARG 19 Ca -0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 3ag4 h ARG 19 Cb 0.24 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.89 3ag4 h ARG 19 CO 0.01 0.01 -1.08 1.19 -1.07 0.00 0.00 179.97 179.03 3ag4 n PHE 20 N -3.53 0.23 1.14 3.04 3.01 -0.01 -4.97 117.46 116.37 3ag4 n PHE 20 Ca -0.03 -3.69 0.13 0.00 1.01 0.00 0.00 57.45 54.88 3ag4 n PHE 20 Cb 0.10 -0.39 0.47 0.00 -0.01 0.00 0.00 39.48 39.65 3ag4 n PHE 20 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3ag4 n PRO 21 N 1.02 0.26 -3.16 -1.08 -0.04 -1.24 -4.66 135.00 126.10 3ag4 n PRO 21 Ca 0.23 -0.10 -0.21 0.00 -0.04 0.00 0.00 63.50 63.38 3ag4 n PRO 21 Cb 0.55 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.57 3ag4 n PRO 21 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ag4 n ASN 22 N -1.28 2.26 -0.23 3.54 3.02 -1.26 -5.01 115.26 116.30 3ag4 n ASN 22 Ca 0.09 -2.62 0.07 0.00 -0.03 0.00 0.00 54.58 52.08 3ag4 n ASN 22 Cb 0.32 -0.35 0.33 0.00 -0.61 0.00 0.00 39.78 39.46 3ag4 n ASN 22 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3ag4 h GLN 23 N 0.00 0.79 -6.27 3.52 4.20 -2.06 -3.40 115.11 111.90 3ag4 h GLN 23 Ca -0.29 -0.05 -0.58 0.00 0.06 0.00 0.00 58.65 57.79 3ag4 h GLN 23 Cb 1.26 -0.18 -0.08 0.00 0.30 0.00 0.00 27.48 28.79 3ag4 h GLN 23 CO 0.42 0.53 0.75 1.21 -0.67 0.00 0.00 178.83 181.07 3ag4 s ASN 24 N -6.09 6.78 -0.03 1.46 3.84 -1.26 -4.88 114.94 114.76 3ag4 s ASN 24 Ca -0.10 0.77 0.11 0.00 0.21 0.00 0.00 52.86 53.84 3ag4 s ASN 24 Cb 0.20 -2.51 0.31 0.00 -0.55 0.00 0.00 41.25 38.69 3ag4 s ASN 24 CO 0.78 -0.92 1.25 0.00 -2.79 0.00 0.00 177.10 175.42 3ag4 n GLN 25 N 6.97 2.87 -0.12 0.43 1.13 -1.26 -4.66 117.38 122.74 3ag4 n GLN 25 Ca 0.10 -2.12 -0.07 0.00 -1.94 0.00 0.00 57.00 52.97 3ag4 n GLN 25 Cb 0.48 -1.33 0.02 0.00 0.11 0.00 0.00 30.24 29.51 3ag4 n GLN 25 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3ag4 h THR 26 N 1.74 0.98 0.00 5.09 2.02 -1.97 -1.70 112.91 119.07 3ag4 h THR 26 Ca 0.00 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 66.97 3ag4 h THR 26 Cb 0.82 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 3ag4 h THR 26 CO 0.03 0.07 -0.38 -0.09 0.37 0.00 0.00 175.52 175.52 3ag4 h ARG 27 N 0.39 0.00 0.09 6.66 9.65 -1.98 -1.24 114.38 127.95 3ag4 h ARG 27 Ca 0.16 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 59.05 3ag4 h ARG 27 Cb 0.07 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 3ag4 h ARG 27 CO -0.12 0.38 -0.13 -0.97 2.80 0.00 0.00 179.97 181.94 3ag4 h ASN 28 N 0.00 -0.35 -0.24 -3.80 -0.73 -1.64 0.45 115.58 109.27 3ag4 h ASN 28 Ca -0.00 0.04 0.04 0.00 1.87 0.00 0.00 56.30 58.25 3ag4 h ASN 28 Cb 0.69 0.13 -0.04 0.00 0.27 0.00 0.00 38.32 39.37 3ag4 h ASN 28 CO 0.05 -0.19 0.01 0.00 -0.37 0.00 0.00 177.43 176.92 3ag4 h TRP 30 N 0.09 0.57 -0.61 0.00 2.91 -1.04 -2.15 115.95 115.72 3ag4 h TRP 30 Ca 0.11 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.06 3ag4 h TRP 30 Cb 0.14 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 28.58 3ag4 h TRP 30 CO -0.19 0.38 0.06 0.37 -1.03 0.00 0.00 178.44 178.03 3ag4 h GLN 31 N 0.60 1.04 -0.15 2.65 5.75 0.05 -1.42 115.11 123.62 3ag4 h GLN 31 Ca 0.16 -0.30 -0.11 0.00 -0.15 0.00 0.00 58.65 58.25 3ag4 h GLN 31 Cb -0.04 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.39 3ag4 h GLN 31 CO -0.03 0.99 -0.37 -0.91 -2.65 0.00 0.00 178.83 175.86 3ag4 h ASN 32 N 0.94 0.33 -0.29 -0.69 2.35 -1.24 0.77 115.58 117.75 3ag4 h ASN 32 Ca 0.18 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 3ag4 h ASN 32 Cb 0.49 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3ag4 h ASN 32 CO 0.02 0.68 0.03 0.22 -1.65 0.00 0.00 177.43 176.73 3ag4 h TYR 33 N 0.27 0.52 -0.17 1.19 3.20 -1.09 0.22 116.97 121.11 3ag4 h TYR 33 Ca 0.03 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.78 3ag4 h TYR 33 Cb 0.78 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 3ag4 h TYR 33 CO 0.02 0.60 -0.05 -0.07 -1.64 0.00 0.00 178.16 177.02 3ag4 h LEU 34 N 0.29 0.34 -0.56 2.82 3.38 -0.86 -1.96 115.31 118.76 3ag4 h LEU 34 Ca 0.08 -0.37 0.10 0.00 0.09 0.00 0.00 57.88 57.79 3ag4 h LEU 34 Cb 0.37 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 3ag4 h LEU 34 CO 0.01 0.63 0.10 0.44 0.09 0.00 0.00 178.44 179.71 3ag4 h ASP 35 N 0.04 -0.04 -0.78 -0.43 3.45 -0.79 0.53 116.42 118.40 3ag4 h ASP 35 Ca 0.04 0.11 -0.02 0.00 0.43 0.00 0.00 57.03 57.60 3ag4 h ASP 35 Cb 0.49 0.16 -0.04 0.00 -0.56 0.00 0.00 39.33 39.38 3ag4 h ASP 35 CO 0.02 -0.00 0.42 0.15 -1.57 0.00 0.00 179.24 178.26 3ag4 h PHE 36 N 0.23 1.08 0.00 4.55 3.57 -0.73 0.03 116.94 125.66 3ag4 h PHE 36 Ca 0.29 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.68 3ag4 h PHE 36 Cb 0.43 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3ag4 h PHE 36 CO -0.26 0.76 -0.66 0.45 -2.23 0.00 0.00 178.31 176.37 3ag4 h HIS 37 N 1.08 0.00 -0.13 0.41 3.86 -0.42 -0.28 115.15 119.66 3ag4 h HIS 37 Ca 0.27 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.26 3ag4 h HIS 37 Cb 0.04 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.52 3ag4 h HIS 37 CO 0.00 0.38 -0.80 0.00 0.86 0.00 0.00 177.93 178.37 3ag4 h ARG 38 N 0.00 0.74 0.02 2.45 3.08 0.14 -2.86 114.38 117.94 3ag4 h ARG 38 Ca -0.04 -0.62 -0.00 0.00 0.07 0.00 0.00 59.98 59.39 3ag4 h ARG 38 Cb 1.32 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.50 3ag4 h ARG 38 CO 0.04 1.23 -0.01 0.00 -1.07 0.00 0.00 179.97 180.16 3ag4 h GLU 40 N -0.23 1.06 0.02 0.00 4.81 -1.07 0.25 114.58 119.43 3ag4 h GLU 40 Ca -0.00 -0.06 -0.21 0.00 -0.13 0.00 0.00 59.36 58.95 3ag4 h GLU 40 Cb 0.22 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3ag4 h GLU 40 CO 0.00 0.70 -0.99 1.57 -0.73 0.00 0.00 179.01 179.57 3ag4 h LYS 41 N 1.09 0.09 0.11 1.92 2.10 -1.47 0.52 116.57 120.93 3ag4 h LYS 41 Ca 0.44 -0.13 0.01 0.00 -2.00 0.00 0.00 60.65 58.97 3ag4 h LYS 41 Cb 0.26 0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.62 3ag4 h LYS 41 CO -0.19 1.00 -0.17 0.00 -2.00 0.00 0.00 179.45 178.09 3ag4 h ALA 42 N 0.95 -0.30 -0.74 0.07 0.00 -0.67 -0.43 119.26 118.14 3ag4 h ALA 42 Ca -0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3ag4 h ALA 42 Cb 1.69 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.71 3ag4 h ALA 42 CO 0.14 -0.70 0.30 0.52 0.00 0.00 0.00 179.25 179.51 3ag4 h MET 43 N -0.34 1.09 -0.05 0.00 2.86 -0.91 0.19 114.93 117.78 3ag4 h MET 43 Ca 0.02 -0.19 -0.21 0.00 -2.06 0.00 0.00 59.70 57.27 3ag4 h MET 43 Cb 0.35 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 3ag4 h MET 43 CO -0.08 0.89 -0.83 1.15 1.06 0.00 0.00 176.91 179.09 3ag4 h THR 44 N 1.07 1.38 0.32 2.22 2.02 -0.88 -2.20 112.91 116.84 3ag4 h THR 44 Ca 0.25 -2.26 -0.02 0.00 0.77 0.00 0.00 66.41 65.15 3ag4 h THR 44 Cb 0.20 2.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 3ag4 h THR 44 CO -0.02 0.68 -0.15 0.00 0.37 0.00 0.00 175.52 176.40 3ag4 h ALA 45 N 0.82 -0.64 0.00 6.16 0.00 -0.94 -3.36 119.26 121.31 3ag4 h ALA 45 Ca -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ag4 h ALA 45 Cb 1.43 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3ag4 h ALA 45 CO 0.14 -0.61 0.00 0.87 0.00 0.00 0.00 179.25 179.66 3ag4 h LYS 46 N -0.71 0.00 -2.98 0.00 1.79 -0.66 -3.46 116.57 110.56 3ag4 h LYS 46 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3ag4 h LYS 46 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 3ag4 h LYS 46 CO 0.07 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.85 3ag4 n GLY 47 N -0.40 0.48 0.00 3.86 0.00 -0.97 -5.08 105.19 103.08 3ag4 n GLY 47 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3ag4 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag4 n GLY 48 N -1.31 4.80 3.40 -0.02 0.00 -0.87 -5.08 105.19 106.11 3ag4 n GLY 48 Ca 0.00 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 3ag4 n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ag4 s ASP 49 N -0.33 3.63 0.43 1.61 3.68 -1.26 -4.65 116.67 119.79 3ag4 s ASP 49 Ca 0.00 -0.31 0.21 0.00 2.13 0.00 0.00 52.55 54.57 3ag4 s ASP 49 Cb 0.00 -0.70 0.97 0.00 -1.45 0.00 0.00 42.92 41.74 3ag4 s ASP 49 CO 0.00 0.32 1.88 0.58 0.13 0.00 0.00 175.17 178.08 3ag4 h VAL 50 N 4.48 0.82 0.00 1.11 2.07 -1.92 -2.66 116.25 120.15 3ag4 h VAL 50 Ca -0.44 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.00 3ag4 h VAL 50 Cb 1.15 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 3ag4 h VAL 50 CO 0.49 0.26 0.41 0.77 0.02 0.00 0.00 177.57 179.53 3ag4 h SER 51 N 0.00 0.00 1.26 0.57 4.64 -2.01 0.99 113.55 119.00 3ag4 h SER 51 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3ag4 h SER 51 Cb 0.64 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3ag4 h SER 51 CO 0.03 0.00 -0.06 -0.37 -0.87 0.00 0.00 176.83 175.56 3ag4 h VAL 52 N 0.00 0.14 -0.09 0.95 -1.51 -1.92 -3.13 116.25 110.70 3ag4 h VAL 52 Ca 0.00 -0.82 0.00 0.00 -1.23 0.00 0.00 66.70 64.65 3ag4 h VAL 52 Cb 0.83 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.71 3ag4 h VAL 52 CO 0.00 0.06 0.00 0.00 -1.23 0.00 0.00 177.57 176.40 3ag4 h GLU 54 N 2.90 0.86 -0.33 0.00 4.57 -1.60 -2.48 114.58 118.49 3ag4 h GLU 54 Ca 0.00 -0.08 0.07 0.00 -1.18 0.00 0.00 59.36 58.17 3ag4 h GLU 54 Cb 0.62 -0.18 -0.07 0.00 -0.16 0.00 0.00 28.75 28.96 3ag4 h GLU 54 CO 0.00 0.62 -0.13 2.35 -1.18 0.00 0.00 179.01 180.67 3ag4 h TRP 55 N 0.86 -0.30 -0.95 0.92 2.91 -1.84 -0.57 115.95 116.98 3ag4 h TRP 55 Ca 0.23 0.03 0.14 0.00 1.13 0.00 0.00 58.89 60.42 3ag4 h TRP 55 Cb -0.02 0.19 -0.08 0.00 -0.51 0.00 0.00 29.16 28.74 3ag4 h TRP 55 CO -0.02 -0.20 0.60 1.88 -1.03 0.00 0.00 178.44 179.68 3ag4 h TYR 56 N -0.06 0.98 -0.31 2.65 -1.99 -1.78 0.99 116.97 117.44 3ag4 h TYR 56 Ca 0.17 0.03 -0.17 0.00 2.00 0.00 0.00 58.73 60.76 3ag4 h TYR 56 Cb 0.32 -0.31 -0.00 0.00 2.00 0.00 0.00 36.73 38.74 3ag4 h TYR 56 CO -0.35 0.35 -0.46 -0.09 -0.00 0.00 0.00 178.16 177.61 3ag4 h ARG 57 N 0.82 0.83 -0.12 4.88 2.43 -1.03 0.98 114.38 123.18 3ag4 h ARG 57 Ca 0.48 -0.48 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 3ag4 h ARG 57 Cb 0.65 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3ag4 h ARG 57 CO -0.25 1.11 -0.22 0.00 -1.51 0.00 0.00 179.97 179.10 3ag4 h ARG 58 N 0.66 0.36 -0.00 0.20 2.47 -0.06 -1.78 114.38 116.22 3ag4 h ARG 58 Ca 0.04 -0.23 0.03 0.00 -1.26 0.00 0.00 59.98 58.56 3ag4 h ARG 58 Cb 1.05 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 29.35 3ag4 h ARG 58 CO 0.10 0.82 -0.24 0.28 0.56 0.00 0.00 179.97 181.49 3ag4 h VAL 59 N -0.06 0.44 0.00 2.04 2.07 -0.73 -1.47 116.25 118.53 3ag4 h VAL 59 Ca 0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 3ag4 h VAL 59 Cb 0.80 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3ag4 h VAL 59 CO 0.05 0.00 -0.19 0.10 0.02 0.00 0.00 177.57 177.55 3ag4 h TYR 60 N -0.38 0.00 -0.18 1.57 -0.00 -0.74 -1.98 116.97 115.26 3ag4 h TYR 60 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.62 3ag4 h TYR 60 Cb 0.46 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.20 3ag4 h TYR 60 CO -0.28 0.19 -0.56 0.87 -0.00 0.00 0.00 178.16 178.37 3ag4 h LYS 61 N 0.00 0.69 -0.44 0.10 1.57 -0.99 0.14 116.57 117.64 3ag4 h LYS 61 Ca -0.00 -0.51 0.06 0.00 -1.87 0.00 0.00 60.65 58.32 3ag4 h LYS 61 Cb 0.39 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 3ag4 h LYS 61 CO 0.02 1.13 0.16 0.77 -0.57 0.00 0.00 179.45 180.96 3ag4 h SER 62 N 0.39 0.17 0.10 0.86 0.02 -1.04 -3.36 113.55 110.69 3ag4 h SER 62 Ca -0.02 0.05 -0.36 0.00 -0.84 0.00 0.00 61.79 60.62 3ag4 h SER 62 Cb 1.18 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.73 3ag4 h SER 62 CO 0.12 0.13 -2.03 0.18 -1.14 0.00 0.00 176.83 174.09 3ag4 n LEU 63 N -5.00 2.63 -4.71 5.07 4.77 -0.76 -4.96 117.00 114.04 3ag4 n LEU 63 Ca 0.04 0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.77 3ag4 n LEU 63 Cb 0.17 -1.08 -0.03 0.00 -2.33 0.00 0.00 43.42 40.15 3ag4 n LEU 63 CO 0.26 0.83 0.68 0.00 -1.33 0.00 0.00 177.39 177.82 3ag4 n PRO 65 N 4.14 0.75 -0.21 0.00 -0.02 -1.26 -4.83 135.00 133.58 3ag4 n PRO 65 Ca 0.06 0.28 -0.09 0.00 -2.02 0.00 0.00 63.50 61.73 3ag4 n PRO 65 Cb 0.51 -1.72 0.02 0.00 -0.02 0.00 0.00 33.50 32.28 3ag4 n PRO 65 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3ag4 h ILE 66 N 0.80 1.26 -0.47 4.25 2.04 -1.95 -1.92 117.51 121.53 3ag4 h ILE 66 Ca -0.43 -1.10 0.04 0.00 1.00 0.00 0.00 64.86 64.37 3ag4 h ILE 66 Cb 1.38 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 3ag4 h ILE 66 CO 0.51 0.40 0.31 0.77 0.00 0.00 0.00 178.15 180.14 3ag4 h SER 67 N 0.92 0.42 -0.05 1.72 4.64 -1.99 -1.34 113.55 117.87 3ag4 h SER 67 Ca 0.17 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.43 3ag4 h SER 67 Cb 0.51 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3ag4 h SER 67 CO 0.02 0.28 -0.19 -0.50 -0.87 0.00 0.00 176.83 175.58 3ag4 h TRP 68 N 0.48 0.28 -0.76 4.77 4.06 -1.73 -0.14 115.95 122.90 3ag4 h TRP 68 Ca 0.19 -0.12 0.16 0.00 2.06 0.00 0.00 58.89 61.19 3ag4 h TRP 68 Cb 0.17 -0.04 -0.11 0.00 -1.00 0.00 0.00 29.16 28.17 3ag4 h TRP 68 CO -0.00 0.82 0.22 0.28 -3.56 0.00 0.00 178.44 176.20 3ag4 h VAL 69 N -0.34 0.53 -0.07 1.49 2.07 -1.09 -0.07 116.25 118.77 3ag4 h VAL 69 Ca -0.01 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 3ag4 h VAL 69 Cb 0.83 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3ag4 h VAL 69 CO 0.04 0.06 -0.16 -1.28 0.02 0.00 0.00 177.57 176.24 3ag4 h SER 70 N 0.31 0.26 -0.43 0.57 0.87 -1.16 0.63 113.55 114.61 3ag4 h SER 70 Ca 0.43 -0.58 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 3ag4 h SER 70 Cb 0.74 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 3ag4 h SER 70 CO -0.50 0.80 0.28 0.74 -0.53 0.00 0.00 176.83 177.62 3ag4 h THR 71 N -0.26 1.12 -0.22 2.23 2.02 -0.83 0.28 112.91 117.25 3ag4 h THR 71 Ca -0.00 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 66.84 3ag4 h THR 71 Cb 0.76 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 3ag4 h THR 71 CO 0.04 0.11 -0.31 -0.50 0.37 0.00 0.00 175.52 175.23 3ag4 h TRP 72 N 0.57 0.52 -0.15 3.16 6.55 -0.87 -0.02 115.95 125.71 3ag4 h TRP 72 Ca 0.15 -0.12 -0.02 0.00 0.95 0.00 0.00 58.89 59.85 3ag4 h TRP 72 Cb -0.05 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 28.12 3ag4 h TRP 72 CO -0.04 0.72 0.00 -0.44 -1.05 0.00 0.00 178.44 177.63 3ag4 h ASP 73 N 0.39 0.26 -0.61 -3.49 3.45 -0.39 0.54 116.42 116.57 3ag4 h ASP 73 Ca 0.05 -0.30 0.12 0.00 0.43 0.00 0.00 57.03 57.33 3ag4 h ASP 73 Cb 0.74 -0.07 -0.09 0.00 -0.56 0.00 0.00 39.33 39.35 3ag4 h ASP 73 CO 0.06 0.50 0.13 0.44 -1.57 0.00 0.00 179.24 178.79 3ag4 h ASP 74 N 0.02 -0.00 0.61 6.45 3.32 -0.59 -2.15 116.42 124.07 3ag4 h ASP 74 Ca 0.04 0.12 -0.17 0.00 0.02 0.00 0.00 57.03 57.04 3ag4 h ASP 74 Cb 0.36 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3ag4 h ASP 74 CO 0.01 0.00 -0.76 0.03 -1.72 0.00 0.00 179.24 176.80 3ag4 h ARG 75 N 0.26 0.11 -0.66 3.56 3.08 -0.51 -1.15 114.38 119.08 3ag4 h ARG 75 Ca 0.32 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 3ag4 h ARG 75 Cb 0.49 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 3ag4 h ARG 75 CO -0.42 0.82 0.26 0.00 -1.07 0.00 0.00 179.97 179.56 3ag4 h ARG 76 N 0.07 0.98 0.00 0.04 3.08 -0.54 0.23 114.38 118.24 3ag4 h ARG 76 Ca -0.02 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.78 3ag4 h ARG 76 Cb 1.33 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 3ag4 h ARG 76 CO 0.11 0.80 -0.41 0.00 -1.07 0.00 0.00 179.97 179.40 3ag4 h ALA 77 N 1.33 1.15 0.00 0.04 0.00 -0.75 -2.73 119.26 118.30 3ag4 h ALA 77 Ca 0.22 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ag4 h ALA 77 Cb 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ag4 h ALA 77 CO -0.02 0.51 -0.33 1.49 0.00 0.00 0.00 179.25 180.90 3ag4 h GLU 78 N 0.00 0.00 0.00 0.00 4.81 -0.85 -3.47 114.58 115.06 3ag4 h GLU 78 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3ag4 h GLU 78 Cb 0.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.19 3ag4 h GLU 78 CO 0.05 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.74 3ag4 n GLY 79 N 1.31 0.63 0.69 1.92 0.00 -0.49 -4.95 105.19 104.29 3ag4 n GLY 79 Ca 0.04 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3ag4 n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ag4 n THR 80 N -2.74 2.18 -2.34 2.61 -2.24 -0.05 -4.98 114.28 106.73 3ag4 n THR 80 Ca 0.00 -1.97 -0.43 0.00 -2.27 0.00 0.00 64.05 59.39 3ag4 n THR 80 Cb 0.00 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 67.96 3ag4 n THR 80 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3ag4 s PHE 81 N -2.82 2.77 -0.32 4.78 5.36 -0.99 -4.89 117.98 121.87 3ag4 s PHE 81 Ca 0.40 0.89 0.26 0.00 -0.96 0.00 0.00 56.93 57.51 3ag4 s PHE 81 Cb 0.32 -3.58 0.66 0.00 -0.34 0.00 0.00 43.02 40.09 3ag4 s PHE 81 CO 0.07 -2.08 1.72 -1.00 -1.46 0.00 0.00 175.22 172.48 3ag4 h PRO 82 N 8.22 0.00 -7.18 10.12 0.13 -1.93 -3.46 132.00 137.90 3ag4 h PRO 82 Ca -0.31 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.35 3ag4 h PRO 82 Cb 1.14 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.28 3ag4 h PRO 82 CO 0.94 0.00 0.37 0.20 -0.23 0.00 0.00 178.00 179.28 3ag4 s GLY 83 N -4.14 2.10 -0.17 1.56 0.00 -1.26 -5.04 107.32 100.37 3ag4 s GLY 83 Ca 0.06 0.21 -0.24 0.00 0.00 0.00 0.00 44.72 44.74 3ag4 s GLY 83 CO 0.62 0.48 0.80 0.54 0.00 0.00 0.00 173.10 175.54 3ag4 s LYS 84 N -3.97 4.29 0.00 2.90 1.02 -1.26 -5.17 119.74 117.55 3ag4 s LYS 84 Ca 0.59 0.95 0.05 0.00 0.02 0.00 0.00 55.97 57.58 3ag4 s LYS 84 Cb -0.10 -3.57 0.04 0.00 -0.52 0.00 0.00 37.83 33.68 3ag4 s LYS 84 CO 0.29 -0.30 0.65 -0.89 -0.92 0.00 0.00 175.35 174.18