#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j47 s GLN 2 N 0.00 3.12 -0.31 0.03 -0.21 -1.26 -5.08 119.66 115.95 1j47 s GLN 2 Ca 0.00 -0.50 -0.13 0.00 0.02 0.00 0.00 55.36 54.74 1j47 s GLN 2 Cb 0.00 -2.75 -0.03 0.00 1.00 0.00 0.00 33.01 31.23 1j47 s GLN 2 CO 0.00 0.53 0.28 -0.51 -2.12 0.00 0.00 175.29 173.47 1j47 s ASP 3 N -0.43 6.11 0.19 5.90 1.01 -1.26 -5.06 116.67 123.13 1j47 s ASP 3 Ca 0.07 -0.13 -0.14 0.00 0.71 0.00 0.00 52.55 53.06 1j47 s ASP 3 Cb -0.12 -2.16 -0.07 0.00 1.01 0.00 0.00 42.92 41.57 1j47 s ASP 3 CO 0.02 -0.20 0.59 -0.60 0.21 0.00 0.00 175.17 175.19 1j47 s ARG 4 N 1.87 3.98 -0.15 8.23 3.52 -1.26 -5.05 118.95 130.09 1j47 s ARG 4 Ca 0.09 0.51 -0.13 0.00 -0.13 0.00 0.00 55.73 56.07 1j47 s ARG 4 Cb -0.16 -2.81 -0.05 0.00 -1.56 0.00 0.00 34.95 30.36 1j47 s ARG 4 CO 0.11 0.40 0.29 0.08 -0.81 0.00 0.00 175.30 175.37 1j47 s VAL 5 N -1.60 5.30 0.12 7.11 1.01 -1.26 -5.08 120.40 126.01 1j47 s VAL 5 Ca 0.42 0.54 -0.12 0.00 0.00 0.00 0.00 61.98 62.82 1j47 s VAL 5 Cb -0.14 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 1j47 s VAL 5 CO 0.20 0.42 0.48 -0.54 0.00 0.00 0.00 175.10 175.65 1j47 s LYS 6 N 0.23 3.86 0.53 2.72 1.02 -1.26 -5.05 119.74 121.79 1j47 s LYS 6 Ca 0.17 0.32 -0.21 0.00 0.02 0.00 0.00 55.97 56.26 1j47 s LYS 6 Cb -0.13 -2.94 -0.05 0.00 -0.52 0.00 0.00 37.83 34.18 1j47 s LYS 6 CO 0.04 0.51 1.25 1.03 -0.92 0.00 0.00 175.35 177.26 1j47 s ARG 7 N -2.00 3.32 0.42 1.68 0.52 -1.26 -4.96 118.95 116.67 1j47 s ARG 7 Ca 0.36 1.96 -0.26 0.00 -0.52 0.00 0.00 55.73 57.26 1j47 s ARG 7 Cb -0.14 -2.22 -0.09 0.00 0.52 0.00 0.00 34.95 33.02 1j47 s ARG 7 CO 0.19 -0.96 1.41 -1.25 0.02 0.00 0.00 175.30 174.70 1j47 s PRO 8 N -2.95 3.88 0.25 3.54 0.04 -1.26 -4.98 135.00 133.52 1j47 s PRO 8 Ca 0.70 2.39 -0.19 0.00 0.04 0.00 0.00 61.00 63.94 1j47 s PRO 8 Cb -0.33 -2.77 -0.09 0.00 0.04 0.00 0.00 34.50 31.35 1j47 s PRO 8 CO 0.39 -0.65 0.75 0.96 0.04 0.00 0.00 177.00 178.49 1j47 s ILE 9 N -1.19 4.55 0.93 0.56 -4.36 -1.26 -5.06 121.20 115.37 1j47 s ILE 9 Ca 0.58 1.28 -0.15 0.00 -0.26 0.00 0.00 60.65 62.09 1j47 s ILE 9 Cb -0.43 -3.82 0.21 0.00 1.25 0.00 0.00 42.46 39.67 1j47 s ILE 9 CO 0.56 0.12 1.27 0.59 0.24 0.00 0.00 174.94 177.71 1j47 n ASN 10 N 0.47 0.19 0.16 4.36 3.02 -1.26 -4.84 115.26 117.37 1j47 n ASN 10 Ca -0.01 -1.52 0.11 0.00 -0.03 0.00 0.00 54.58 53.14 1j47 n ASN 10 Cb 0.51 -0.96 0.60 0.00 -0.61 0.00 0.00 39.78 39.32 1j47 n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j47 n ALA 11 N -3.76 1.11 0.06 5.41 0.00 -1.26 -2.71 120.51 119.36 1j47 n ALA 11 Ca -0.20 0.20 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 1j47 n ALA 11 Cb 0.56 -1.33 -0.15 0.00 0.00 0.00 0.00 19.45 18.53 1j47 n ALA 11 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1j47 h PHE 12 N 0.00 0.62 -0.17 0.00 3.57 -1.92 -3.04 116.94 116.00 1j47 h PHE 12 Ca 0.00 -0.45 -0.07 0.00 3.53 0.00 0.00 57.97 60.98 1j47 h PHE 12 Cb 0.04 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1j47 h PHE 12 CO 0.00 1.49 -0.16 0.82 -2.23 0.00 0.00 178.31 178.23 1j47 h ILE 13 N -0.19 1.34 -0.40 1.41 1.08 -1.87 0.43 117.51 119.31 1j47 h ILE 13 Ca -0.25 -1.32 0.08 0.00 -0.39 0.00 0.00 64.86 62.99 1j47 h ILE 13 Cb 1.85 1.82 -0.09 0.00 -3.07 0.00 0.00 36.82 37.33 1j47 h ILE 13 CO 0.15 0.39 -0.18 0.58 -0.69 0.00 0.00 178.15 178.41 1j47 h VAL 14 N 0.06 0.45 -0.42 1.67 2.07 -1.66 1.17 116.25 119.58 1j47 h VAL 14 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1j47 h VAL 14 Cb 0.70 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1j47 h VAL 14 CO 0.04 0.00 0.13 -0.25 0.02 0.00 0.00 177.57 177.51 1j47 h TRP 15 N -0.10 0.69 -0.05 1.57 7.01 -1.42 -3.07 115.95 120.57 1j47 h TRP 15 Ca 0.20 -0.07 -0.12 0.00 2.11 0.00 0.00 58.89 61.01 1j47 h TRP 15 Cb 0.40 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.25 1j47 h TRP 15 CO -0.42 0.63 -0.53 0.77 -2.79 0.00 0.00 178.44 176.10 1j47 h SER 16 N 0.54 0.15 -0.75 2.65 0.02 0.16 0.64 113.55 116.96 1j47 h SER 16 Ca 0.14 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 1j47 h SER 16 Cb 0.27 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1j47 h SER 16 CO -0.00 0.65 0.27 0.03 -1.14 0.00 0.00 176.83 176.63 1j47 h ARG 17 N 0.11 1.15 0.07 3.45 3.08 0.14 1.57 114.38 123.95 1j47 h ARG 17 Ca 0.00 -0.23 -0.17 0.00 0.07 0.00 0.00 59.98 59.65 1j47 h ARG 17 Cb 0.96 -0.18 0.02 0.00 0.08 0.00 0.00 29.97 30.85 1j47 h ARG 17 CO 0.08 0.96 -0.72 0.22 -1.07 0.00 0.00 179.97 179.43 1j47 h ASP 18 N 1.12 0.52 0.43 7.04 3.58 -1.50 -3.14 116.42 124.47 1j47 h ASP 18 Ca 0.25 -0.85 -0.14 0.00 0.42 0.00 0.00 57.03 56.71 1j47 h ASP 18 Cb 0.26 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1j47 h ASP 18 CO -0.01 1.31 -0.62 -0.61 -2.88 0.00 0.00 179.24 176.43 1j47 h GLN 19 N -0.21 0.18 -0.33 0.28 5.75 -0.71 -3.07 115.11 117.01 1j47 h GLN 19 Ca -0.11 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.24 1j47 h GLN 19 Cb 1.49 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 30.04 1j47 h GLN 19 CO 0.14 0.74 0.12 -0.09 -2.65 0.00 0.00 178.83 177.09 1j47 h ARG 20 N 0.13 0.49 -0.43 1.69 2.43 0.22 -1.17 114.38 117.75 1j47 h ARG 20 Ca -0.01 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1j47 h ARG 20 Cb 1.12 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 1j47 h ARG 20 CO 0.09 0.51 0.24 -0.09 -1.51 0.00 0.00 179.97 179.21 1j47 h ARG 21 N 0.38 0.60 -0.86 0.20 9.65 -1.53 -1.19 114.38 121.62 1j47 h ARG 21 Ca 0.11 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.90 1j47 h ARG 21 Cb 0.20 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.63 1j47 h ARG 21 CO -0.01 0.48 0.47 -0.22 2.80 0.00 0.00 179.97 183.49 1j47 h LYS 22 N 0.56 1.20 0.00 0.20 3.64 -1.42 0.14 116.57 120.89 1j47 h LYS 22 Ca 0.15 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1j47 h LYS 22 Cb 0.05 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1j47 h LYS 22 CO -0.02 0.88 -0.27 1.98 -2.27 0.00 0.00 179.45 179.75 1j47 h MET 23 N 1.20 0.00 0.09 1.90 4.05 -0.84 0.36 114.93 121.69 1j47 h MET 23 Ca 0.30 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.47 1j47 h MET 23 Cb 0.03 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 1j47 h MET 23 CO -0.05 0.27 -1.19 0.00 0.23 0.00 0.00 176.91 176.18 1j47 h ALA 24 N 1.73 0.18 -0.15 0.39 0.00 0.06 0.62 119.26 122.09 1j47 h ALA 24 Ca -0.00 -0.91 -0.21 0.00 0.00 0.00 0.00 54.91 53.79 1j47 h ALA 24 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1j47 h ALA 24 CO 0.04 1.07 -0.73 -0.07 0.00 0.00 0.00 179.25 179.55 1j47 h LEU 25 N 0.05 0.82 0.00 0.00 3.38 -0.32 -1.35 115.31 117.89 1j47 h LEU 25 Ca -0.10 -0.52 -0.13 0.00 0.09 0.00 0.00 57.88 57.22 1j47 h LEU 25 Cb 1.91 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 1j47 h LEU 25 CO 0.18 1.30 -1.00 -0.33 0.09 0.00 0.00 178.44 178.68 1j47 h GLU 26 N 0.48 0.00 -2.13 1.13 5.08 -0.99 -3.38 114.58 114.77 1j47 h GLU 26 Ca -0.04 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.75 1j47 h GLU 26 Cb 1.34 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.18 1j47 h GLU 26 CO 0.15 0.34 -0.82 0.09 -1.00 0.00 0.00 179.01 177.77 1j47 n ASN 27 N -3.00 2.55 0.00 1.42 3.02 0.22 -4.90 115.26 114.56 1j47 n ASN 27 Ca -0.04 -3.23 0.04 0.00 -0.03 0.00 0.00 54.58 51.32 1j47 n ASN 27 Cb 0.77 -0.64 0.18 0.00 -0.61 0.00 0.00 39.78 39.48 1j47 n ASN 27 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1j47 n PRO 28 N 0.75 0.05 -0.00 3.52 -0.04 -0.51 -1.57 135.00 137.19 1j47 n PRO 28 Ca 0.27 0.30 0.10 0.00 -0.04 0.00 0.00 63.50 64.13 1j47 n PRO 28 Cb 0.47 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.29 1j47 n PRO 28 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1j47 n ARG 29 N -1.41 0.50 -2.75 0.54 5.12 -1.26 -4.93 116.66 112.46 1j47 n ARG 29 Ca 0.03 -0.09 -0.41 0.00 -1.93 0.00 0.00 57.85 55.45 1j47 n ARG 29 Cb 0.08 -1.47 -0.04 0.00 -1.16 0.00 0.00 32.46 29.87 1j47 n ARG 29 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1j47 s MET 30 N -3.15 4.68 0.49 5.56 1.75 -0.61 -5.03 119.30 123.00 1j47 s MET 30 Ca 0.00 1.42 -0.14 0.00 -1.25 0.00 0.00 55.69 55.72 1j47 s MET 30 Cb 0.14 -3.37 -0.07 0.00 2.84 0.00 0.00 34.83 34.37 1j47 s MET 30 CO 0.84 0.23 0.93 1.03 -0.65 0.00 0.00 175.02 177.39 1j47 s ARG 31 N -0.03 3.87 0.33 4.11 0.52 -1.26 -4.88 118.95 121.61 1j47 s ARG 31 Ca 0.46 0.80 0.04 0.00 -0.52 0.00 0.00 55.73 56.50 1j47 s ARG 31 Cb -0.23 -2.20 0.65 0.00 0.52 0.00 0.00 34.95 33.68 1j47 s ARG 31 CO 0.29 -0.23 1.93 -0.91 0.02 0.00 0.00 175.30 176.40 1j47 h ASN 32 N 0.90 0.77 0.17 0.23 4.21 -1.98 -0.65 115.58 119.24 1j47 h ASN 32 Ca -0.47 0.01 -0.05 0.00 1.21 0.00 0.00 56.30 57.00 1j47 h ASN 32 Cb 1.19 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 38.22 1j47 h ASN 32 CO 0.62 0.49 -0.22 0.28 -1.29 0.00 0.00 177.43 177.32 1j47 h SER 33 N 0.88 0.09 0.39 5.81 0.02 -1.99 0.18 113.55 118.92 1j47 h SER 33 Ca 0.35 -0.02 -0.32 0.00 -0.84 0.00 0.00 61.79 60.97 1j47 h SER 33 Cb 0.25 -0.02 0.02 0.00 0.14 0.00 0.00 62.40 62.79 1j47 h SER 33 CO -0.13 0.32 -1.44 -0.33 -1.14 0.00 0.00 176.83 174.11 1j47 h GLU 34 N 0.09 0.42 -0.47 3.45 5.08 -1.68 -3.08 114.58 118.39 1j47 h GLU 34 Ca 0.02 -0.72 -0.01 0.00 -1.00 0.00 0.00 59.36 57.65 1j47 h GLU 34 Cb 0.44 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1j47 h GLU 34 CO 0.03 1.33 0.25 0.82 -1.00 0.00 0.00 179.01 180.45 1j47 h ILE 35 N 0.11 1.17 -0.75 3.13 2.04 -0.71 -1.30 117.51 121.21 1j47 h ILE 35 Ca -0.23 -0.46 0.11 0.00 1.00 0.00 0.00 64.86 65.28 1j47 h ILE 35 Cb 2.09 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 38.70 1j47 h ILE 35 CO 0.24 0.19 0.38 0.28 0.00 0.00 0.00 178.15 179.23 1j47 h SER 36 N 0.62 0.48 -0.71 1.72 0.02 -0.72 0.50 113.55 115.47 1j47 h SER 36 Ca 0.17 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.13 1j47 h SER 36 Cb 0.07 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1j47 h SER 36 CO -0.02 0.25 0.23 0.11 -1.14 0.00 0.00 176.83 176.26 1j47 h LYS 37 N 0.61 1.09 -0.24 3.45 1.57 -1.31 -1.23 116.57 120.52 1j47 h LYS 37 Ca 0.38 -0.23 -0.19 0.00 -1.87 0.00 0.00 60.65 58.74 1j47 h LYS 37 Cb 0.44 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1j47 h LYS 37 CO -0.30 0.94 -0.59 1.96 -0.57 0.00 0.00 179.45 180.88 1j47 h GLN 38 N 1.03 0.78 -0.56 3.15 1.08 0.05 -2.58 115.11 118.06 1j47 h GLN 38 Ca 0.23 -0.52 -0.03 0.00 -1.45 0.00 0.00 58.65 56.88 1j47 h GLN 38 Cb 0.29 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.77 1j47 h GLN 38 CO -0.01 1.15 0.25 -0.07 -0.95 0.00 0.00 178.83 179.19 1j47 h LEU 39 N 0.58 0.75 -0.93 1.46 3.38 0.16 0.96 115.31 121.67 1j47 h LEU 39 Ca 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1j47 h LEU 39 Cb 1.19 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 1j47 h LEU 39 CO 0.12 0.69 0.56 1.23 0.09 0.00 0.00 178.44 181.13 1j47 h GLY 40 N 0.76 1.34 0.87 0.83 0.00 -1.20 0.52 103.07 106.19 1j47 h GLY 40 Ca 0.19 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1j47 h GLY 40 CO -0.02 0.54 0.06 -1.82 0.00 0.00 0.00 176.54 175.30 1j47 h TYR 41 N 1.28 0.32 -0.44 5.60 3.20 -0.97 -1.92 116.97 124.05 1j47 h TYR 41 Ca 0.33 -0.03 -0.14 0.00 3.14 0.00 0.00 58.73 62.03 1j47 h TYR 41 Cb -0.05 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 1j47 h TYR 41 CO 0.00 0.41 -0.26 1.96 -1.64 0.00 0.00 178.16 178.63 1j47 h GLN 42 N 0.15 0.93 -0.34 1.82 1.08 -0.36 -3.05 115.11 115.33 1j47 h GLN 42 Ca 0.06 -0.42 -0.05 0.00 -1.45 0.00 0.00 58.65 56.80 1j47 h GLN 42 Cb 0.24 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 1j47 h GLN 42 CO -0.00 1.07 0.02 2.35 -0.95 0.00 0.00 178.83 181.32 1j47 h TRP 43 N 0.79 0.54 0.00 2.96 2.91 0.16 -0.50 115.95 122.81 1j47 h TRP 43 Ca 0.09 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.07 1j47 h TRP 43 Cb 0.83 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 29.32 1j47 h TRP 43 CO 0.05 0.52 0.00 1.63 -1.03 0.00 0.00 178.44 179.61 1j47 n LYS 44 N -4.29 0.02 0.00 2.65 5.02 -0.73 -2.39 118.16 118.43 1j47 n LYS 44 Ca 0.02 0.12 0.12 0.00 -2.02 0.00 0.00 58.31 56.54 1j47 n LYS 44 Cb 0.23 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 33.90 1j47 n LYS 44 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1j47 n MET 45 N -1.49 0.80 -2.63 1.97 2.81 -0.22 -4.91 117.12 113.46 1j47 n MET 45 Ca 0.06 -0.58 -0.39 0.00 -1.81 0.00 0.00 57.70 54.98 1j47 n MET 45 Cb 0.25 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.22 1j47 n MET 45 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1j47 s LEU 46 N -2.60 4.47 0.57 4.03 1.43 -1.01 -5.04 118.68 120.53 1j47 s LEU 46 Ca 0.19 2.04 -0.08 0.00 -1.03 0.00 0.00 54.13 55.25 1j47 s LEU 46 Cb 0.18 -3.80 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 1j47 s LEU 46 CO 0.60 -0.10 0.93 0.42 0.23 0.00 0.00 176.35 178.43 1j47 s THR 47 N -1.35 4.59 0.25 5.49 -4.23 -1.26 -4.82 115.64 114.31 1j47 s THR 47 Ca 0.47 0.50 -0.04 0.00 -1.18 0.00 0.00 61.69 61.43 1j47 s THR 47 Cb -0.26 -3.80 0.23 0.00 1.34 0.00 0.00 72.50 70.01 1j47 s THR 47 CO 0.32 -0.92 1.84 -0.08 -0.54 0.00 0.00 174.62 175.24 1j47 h GLU 48 N -0.12 0.91 -0.70 3.99 4.81 -1.97 0.33 114.58 121.84 1j47 h GLU 48 Ca -0.45 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.66 1j47 h GLU 48 Cb 1.21 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 1j47 h GLU 48 CO 0.62 0.60 0.20 0.00 -0.73 0.00 0.00 179.01 179.71 1j47 h ALA 49 N 1.44 1.04 -0.31 2.92 0.00 -1.99 0.79 119.26 123.14 1j47 h ALA 49 Ca 0.40 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1j47 h ALA 49 Cb 0.25 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1j47 h ALA 49 CO -0.20 0.64 -0.45 0.93 0.00 0.00 0.00 179.25 180.16 1j47 h GLU 50 N 1.04 0.82 0.00 0.00 4.39 -1.54 -3.09 114.58 116.20 1j47 h GLU 50 Ca 0.22 -0.46 -0.12 0.00 0.34 0.00 0.00 59.36 59.34 1j47 h GLU 50 Cb 0.31 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1j47 h GLU 50 CO -0.01 1.10 -0.56 0.87 -1.16 0.00 0.00 179.01 179.25 1j47 h LYS 51 N 0.65 0.00 -0.49 2.33 1.57 -0.02 -3.36 116.57 117.26 1j47 h LYS 51 Ca 0.04 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.90 1j47 h LYS 51 Cb 1.03 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.25 1j47 h LYS 51 CO 0.10 0.56 -0.41 2.35 -0.57 0.00 0.00 179.45 181.49 1j47 h TRP 52 N 0.00 -1.19 -1.00 -1.35 2.91 0.69 0.16 115.95 116.16 1j47 h TRP 52 Ca -0.01 0.07 0.20 0.00 1.13 0.00 0.00 58.89 60.29 1j47 h TRP 52 Cb 1.41 0.59 -0.11 0.00 -0.51 0.00 0.00 29.16 30.55 1j47 h TRP 52 CO 0.00 -0.42 0.61 -1.00 -1.03 0.00 0.00 178.44 176.60 1j47 h PRO 53 N -0.26 0.70 0.00 2.65 0.13 -1.72 0.54 132.00 134.03 1j47 h PRO 53 Ca 0.17 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.19 1j47 h PRO 53 Cb 0.57 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 1j47 h PRO 53 CO -0.63 0.46 -0.33 0.74 -0.23 0.00 0.00 178.00 178.02 1j47 h PHE 54 N 0.72 0.00 0.05 1.56 0.04 -1.00 -1.77 116.94 116.53 1j47 h PHE 54 Ca 0.59 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 61.09 1j47 h PHE 54 Cb 0.98 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.15 1j47 h PHE 54 CO -0.00 0.33 -1.09 0.74 -0.60 0.00 0.00 178.31 177.68 1j47 h PHE 55 N 0.00 0.99 -0.36 -0.55 0.04 0.23 -2.71 116.94 114.59 1j47 h PHE 55 Ca -0.00 -0.58 -0.03 0.00 2.80 0.00 0.00 57.97 60.16 1j47 h PHE 55 Cb 0.89 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 1j47 h PHE 55 CO 0.00 1.42 0.11 0.37 -0.60 0.00 0.00 178.31 179.60 1j47 h GLN 56 N 0.29 0.56 -0.46 1.51 4.15 -0.47 -1.89 115.11 118.80 1j47 h GLN 56 Ca -0.15 -0.12 -0.06 0.00 0.77 0.00 0.00 58.65 59.09 1j47 h GLN 56 Cb 1.76 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 29.35 1j47 h GLN 56 CO 0.21 0.58 0.06 1.49 -1.93 0.00 0.00 178.83 179.25 1j47 h GLU 57 N 0.42 0.77 -0.46 1.69 4.81 -1.39 -1.59 114.58 118.83 1j47 h GLU 57 Ca 0.11 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1j47 h GLU 57 Cb 0.26 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1j47 h GLU 57 CO -0.00 0.79 0.15 0.00 -0.73 0.00 0.00 179.01 179.22 1j47 h ALA 58 N 0.95 1.41 -0.39 2.92 0.00 -1.40 -0.52 119.26 122.23 1j47 h ALA 58 Ca 0.14 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1j47 h ALA 58 Cb 0.40 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1j47 h ALA 58 CO 0.01 0.44 -0.08 0.37 0.00 0.00 0.00 179.25 179.99 1j47 h GLN 59 N 0.66 0.67 -0.64 0.00 4.15 -0.91 -0.21 115.11 118.83 1j47 h GLN 59 Ca 0.16 -0.20 -0.06 0.00 0.77 0.00 0.00 58.65 59.32 1j47 h GLN 59 Cb 0.18 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 1j47 h GLN 59 CO -0.01 0.75 0.19 -0.22 -1.93 0.00 0.00 178.83 177.60 1j47 h LYS 60 N 0.62 1.01 -0.81 1.69 3.64 -0.16 0.67 116.57 123.24 1j47 h LYS 60 Ca 0.11 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1j47 h LYS 60 Cb 0.51 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 1j47 h LYS 60 CO 0.03 0.89 0.46 -0.07 -2.27 0.00 0.00 179.45 178.50 1j47 h LEU 61 N 0.94 0.98 -0.71 5.20 3.38 -0.56 0.20 115.31 124.74 1j47 h LEU 61 Ca 0.21 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 1j47 h LEU 61 Cb 0.32 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1j47 h LEU 61 CO -0.00 0.77 -0.22 -0.61 0.09 0.00 0.00 178.44 178.47 1j47 h GLN 62 N 1.12 0.76 -0.11 1.13 4.15 -0.07 0.22 115.11 122.30 1j47 h GLN 62 Ca 0.29 -0.30 -0.15 0.00 0.77 0.00 0.00 58.65 59.26 1j47 h GLN 62 Cb -0.01 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 27.65 1j47 h GLN 62 CO -0.05 0.91 -0.51 0.00 -1.93 0.00 0.00 178.83 177.25 1j47 h ALA 63 N 1.09 0.22 -0.77 3.38 0.00 -0.08 0.10 119.26 123.19 1j47 h ALA 63 Ca 0.09 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1j47 h ALA 63 Cb 0.72 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1j47 h ALA 63 CO 0.06 0.40 0.41 1.98 0.00 0.00 0.00 179.25 182.10 1j47 h MET 64 N 0.16 1.08 -0.52 0.00 1.85 -0.54 0.38 114.93 117.33 1j47 h MET 64 Ca -0.03 -0.13 -0.10 0.00 -0.61 0.00 0.00 59.70 58.83 1j47 h MET 64 Cb 1.15 -0.21 -0.02 0.00 0.43 0.00 0.00 31.60 32.95 1j47 h MET 64 CO 0.11 0.80 -0.08 1.25 -0.40 0.00 0.00 176.91 178.58 1j47 h HIS 65 N 1.08 1.08 -0.45 1.39 6.17 -0.85 -2.43 115.15 121.14 1j47 h HIS 65 Ca 0.27 -0.22 -0.04 0.00 0.71 0.00 0.00 60.37 61.09 1j47 h HIS 65 Cb 0.04 -0.27 -0.02 0.00 2.52 0.00 0.00 27.41 29.68 1j47 h HIS 65 CO 0.01 1.01 0.10 -0.09 0.71 0.00 0.00 177.93 179.67 1j47 h ARG 66 N 0.84 0.68 -0.01 5.26 2.43 0.30 -0.98 114.38 122.90 1j47 h ARG 66 Ca 0.14 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1j47 h ARG 66 Cb 0.64 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1j47 h ARG 66 CO 0.04 0.63 -0.37 1.49 -1.51 0.00 0.00 179.97 180.25 1j47 h GLU 67 N 0.66 0.01 -0.00 0.20 4.81 0.17 0.26 114.58 120.68 1j47 h GLU 67 Ca 0.15 -0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.16 1j47 h GLU 67 Cb 0.27 -0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.66 1j47 h GLU 67 CO -0.00 0.38 -0.82 -0.22 -0.73 0.00 0.00 179.01 177.62 1j47 h LYS 68 N 0.01 0.56 -2.53 1.92 3.64 -0.92 -3.39 116.57 115.87 1j47 h LYS 68 Ca -0.00 -0.60 -0.60 0.00 -1.27 0.00 0.00 60.65 58.18 1j47 h LYS 68 Cb 0.67 0.17 -0.40 0.00 -0.41 0.00 0.00 32.23 32.26 1j47 h LYS 68 CO 0.05 1.22 -0.85 0.66 -2.27 0.00 0.00 179.45 178.26 1j47 n TYR 69 N -4.04 0.64 0.30 1.91 4.01 -0.45 -4.95 117.16 114.58 1j47 n TYR 69 Ca -0.11 -3.68 0.19 0.00 -0.16 0.00 0.00 57.90 54.14 1j47 n TYR 69 Cb 0.78 -0.11 0.93 0.00 -0.31 0.00 0.00 39.34 40.63 1j47 n TYR 69 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1j47 h PRO 70 N 5.29 0.00 -0.51 -0.72 0.11 -0.70 -2.44 132.00 133.03 1j47 h PRO 70 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1j47 h PRO 70 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1j47 h PRO 70 CO 0.51 0.02 0.00 -1.71 -0.21 0.00 0.00 178.00 176.61 1j47 n ASN 71 N -3.19 4.31 -4.78 -2.05 2.85 -1.26 -4.99 115.26 106.15 1j47 n ASN 71 Ca -0.01 -2.51 -0.34 0.00 -0.11 0.00 0.00 54.58 51.60 1j47 n ASN 71 Cb 0.19 -0.51 0.01 0.00 1.24 0.00 0.00 39.78 40.70 1j47 n ASN 71 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1j47 s TYR 72 N -1.95 2.70 -0.01 1.20 5.04 -0.92 -5.05 117.35 118.37 1j47 s TYR 72 Ca 0.44 1.55 0.01 0.00 -2.44 0.00 0.00 57.07 56.63 1j47 s TYR 72 Cb 0.30 -3.23 0.00 0.00 0.35 0.00 0.00 41.96 39.38 1j47 s TYR 72 CO 0.19 -1.51 -0.04 0.21 -1.34 0.00 0.00 175.55 173.07 1j47 s LYS 73 N -3.46 0.35 -0.30 4.97 2.20 -1.26 -5.11 119.74 117.13 1j47 s LYS 73 Ca 0.71 -0.11 -0.28 0.00 -0.36 0.00 0.00 55.97 55.93 1j47 s LYS 73 Cb -0.22 -0.36 0.01 0.00 -1.51 0.00 0.00 37.83 35.75 1j47 s LYS 73 CO 0.29 0.05 1.01 -0.47 -0.36 0.00 0.00 175.35 175.87 1j47 s TYR 74 N 0.10 3.20 -0.44 4.03 5.04 -1.26 -4.98 117.35 123.04 1j47 s TYR 74 Ca -0.01 1.17 0.03 0.00 -2.44 0.00 0.00 57.07 55.83 1j47 s TYR 74 Cb -0.04 -3.52 0.12 0.00 0.35 0.00 0.00 41.96 38.87 1j47 s TYR 74 CO -0.00 -0.67 0.19 1.03 -1.34 0.00 0.00 175.55 174.75 1j47 s ARG 75 N 3.43 1.63 0.51 4.97 0.52 -1.26 -5.10 118.95 123.64 1j47 s ARG 75 Ca 0.43 -2.20 -0.19 0.00 -0.52 0.00 0.00 55.73 53.25 1j47 s ARG 75 Cb -0.13 -3.02 -0.08 0.00 0.52 0.00 0.00 34.95 32.25 1j47 s ARG 75 CO 0.13 -1.06 1.03 -1.25 0.02 0.00 0.00 175.30 174.16 1j47 s PRO 76 N 0.29 3.76 -0.55 3.54 0.04 -1.26 -4.99 135.00 135.83 1j47 s PRO 76 Ca 0.15 1.25 -0.26 0.00 0.04 0.00 0.00 61.00 62.18 1j47 s PRO 76 Cb -0.23 -2.10 0.04 0.00 0.04 0.00 0.00 34.50 32.25 1j47 s PRO 76 CO -0.04 -0.45 1.03 0.50 0.04 0.00 0.00 177.00 178.08 1j47 s ARG 77 N -3.51 3.43 0.46 4.56 3.52 -1.26 -5.02 118.95 121.13 1j47 s ARG 77 Ca 0.65 -0.02 -0.13 0.00 -0.13 0.00 0.00 55.73 56.10 1j47 s ARG 77 Cb -0.15 -4.02 -0.07 0.00 -1.56 0.00 0.00 34.95 29.16 1j47 s ARG 77 CO 0.24 -1.52 0.86 1.03 -0.81 0.00 0.00 175.30 175.10 1j47 s ARG 78 N 4.27 3.83 0.26 5.12 1.81 -1.26 -5.04 118.95 127.94 1j47 s ARG 78 Ca 0.36 0.65 -0.24 0.00 -1.72 0.00 0.00 55.73 54.78 1j47 s ARG 78 Cb -0.10 -2.28 -0.09 0.00 -0.45 0.00 0.00 34.95 32.02 1j47 s ARG 78 CO 0.22 -0.15 0.84 0.15 -0.68 0.00 0.00 175.30 175.69 1j47 s LYS 79 N -4.01 4.46 -0.90 3.54 1.02 -1.26 -4.86 119.74 117.73 1j47 s LYS 79 Ca 0.54 1.14 -0.20 0.00 0.02 0.00 0.00 55.97 57.47 1j47 s LYS 79 Cb -0.10 -2.90 -0.24 0.00 -0.52 0.00 0.00 37.83 34.07 1j47 s LYS 79 CO 0.33 0.37 2.37 0.00 -0.92 0.00 0.00 175.35 177.49 1j47 n ALA 80 N 0.77 0.73 -3.64 5.17 0.00 -1.26 -4.82 120.51 117.47 1j47 n ALA 80 Ca -0.01 -0.82 -0.35 0.00 0.00 0.00 0.00 53.44 52.26 1j47 n ALA 80 Cb 0.50 -2.64 -0.14 0.00 0.00 0.00 0.00 19.45 17.18 1j47 n ALA 80 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1j47 s LYS 81 N 8.01 2.46 -0.28 0.00 2.20 -1.26 -5.05 119.74 125.82 1j47 s LYS 81 Ca 1.21 -1.25 -0.01 0.00 -0.36 0.00 0.00 55.97 55.57 1j47 s LYS 81 Cb -0.73 -3.17 0.09 0.00 -1.51 0.00 0.00 37.83 32.51 1j47 s LYS 81 CO 0.42 -0.61 0.08 1.41 -0.36 0.00 0.00 175.35 176.29 1j47 s MET 82 N 1.26 0.71 -0.13 4.03 1.75 -1.26 -5.12 119.30 120.54 1j47 s MET 82 Ca -0.05 -0.91 -0.16 0.00 -1.25 0.00 0.00 55.69 53.32 1j47 s MET 82 Cb -0.20 -1.98 -0.04 0.00 2.84 0.00 0.00 34.83 35.45 1j47 s MET 82 CO -0.01 -0.91 0.40 -0.51 -0.65 0.00 0.00 175.02 173.34 1j47 s LEU 83 N 1.69 4.27 0.52 4.11 1.43 -1.26 -5.07 118.68 124.37 1j47 s LEU 83 Ca 0.07 0.70 -0.18 0.00 -1.03 0.00 0.00 54.13 53.69 1j47 s LEU 83 Cb -0.17 -2.56 -0.07 0.00 0.03 0.00 0.00 46.19 43.42 1j47 s LEU 83 CO -0.22 0.06 1.02 -2.16 0.23 0.00 0.00 176.35 175.28 1j47 s PRO 84 N 0.45 3.74 0.00 1.29 0.04 -1.26 -5.37 135.00 133.90 1j47 s PRO 84 Ca 0.22 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1j47 s PRO 84 Cb -0.14 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1j47 s PRO 84 CO 0.08 -0.46 0.30 1.63 0.04 0.00 0.00 177.00 178.58