#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k77 s MET 2 N 0.00 2.81 0.00 2.12 1.00 -1.26 -4.95 119.30 119.01 2k77 s MET 2 Ca 0.00 1.55 0.18 0.00 0.00 0.00 0.00 55.69 57.42 2k77 s MET 2 Cb 0.00 -1.94 1.06 0.00 0.00 0.00 0.00 34.83 33.95 2k77 s MET 2 CO 0.00 -1.27 1.59 1.97 0.00 0.00 0.00 175.02 177.31 2k77 n PHE 3 N -2.15 0.00 1.83 -0.03 1.16 -1.26 -4.03 117.46 112.98 2k77 n PHE 3 Ca 0.12 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.73 2k77 n PHE 3 Cb 0.51 0.00 0.16 0.00 -1.61 0.00 0.00 39.48 38.54 2k77 n PHE 3 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2k77 n GLY 4 N 0.60 -0.75 3.78 4.97 0.00 -1.26 -3.70 105.19 108.83 2k77 n GLY 4 Ca 0.13 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2k77 n GLY 4 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k77 s ARG 5 N -1.94 3.49 0.00 1.61 0.52 -1.26 -4.90 118.95 116.48 2k77 s ARG 5 Ca 0.10 1.57 0.05 0.00 -0.52 0.00 0.00 55.73 56.93 2k77 s ARG 5 Cb 0.05 -2.06 -0.03 0.00 0.52 0.00 0.00 34.95 33.43 2k77 s ARG 5 CO 0.08 -0.73 -0.13 -0.06 0.02 0.00 0.00 175.30 174.48 2k77 s PHE 6 N -1.79 2.71 0.98 -0.53 0.40 -1.26 -0.31 117.98 118.18 2k77 s PHE 6 Ca 0.71 -0.15 -0.11 0.00 -0.60 0.00 0.00 56.93 56.77 2k77 s PHE 6 Cb -0.23 -1.56 0.18 0.00 0.51 0.00 0.00 43.02 41.92 2k77 s PHE 6 CO 0.26 0.28 1.09 0.95 0.70 0.00 0.00 175.22 178.49 2k77 s THR 7 N -0.90 2.31 -0.24 0.64 -4.23 -0.41 -4.66 115.64 108.17 2k77 s THR 7 Ca 0.15 0.10 0.25 0.00 -1.18 0.00 0.00 61.69 61.01 2k77 s THR 7 Cb -0.11 -2.32 0.26 0.00 1.34 0.00 0.00 72.50 71.67 2k77 s THR 7 CO 0.05 -0.13 1.75 -0.33 -0.54 0.00 0.00 174.62 175.42 2k77 h GLU 8 N -1.97 0.00 0.14 3.99 4.39 -2.00 0.06 114.58 119.19 2k77 h GLU 8 Ca -0.51 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 58.83 2k77 h GLU 8 Cb 1.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 2k77 h GLU 8 CO 0.50 0.00 -1.86 0.00 -1.16 0.00 0.00 179.01 176.49 2k77 h ARG 9 N 0.00 0.30 -0.40 2.33 2.47 -1.96 -3.34 114.38 113.79 2k77 h ARG 9 Ca 0.00 -0.52 -0.11 0.00 -1.26 0.00 0.00 59.98 58.09 2k77 h ARG 9 Cb 0.19 0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 2k77 h ARG 9 CO 0.00 1.25 -0.20 0.00 0.56 0.00 0.00 179.97 181.58 2k77 h ALA 10 N 0.06 0.89 -0.72 0.04 0.00 -1.68 -2.27 119.26 115.58 2k77 h ALA 10 Ca -0.39 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.19 2k77 h ALA 10 Cb 2.02 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.61 2k77 h ALA 10 CO 0.11 0.63 0.47 1.96 0.00 0.00 0.00 179.25 182.42 2k77 h GLN 11 N 0.69 0.85 -0.53 0.00 4.20 -1.21 -2.09 115.11 117.01 2k77 h GLN 11 Ca 0.10 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 2k77 h GLN 11 Cb 0.71 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 2k77 h GLN 11 CO 0.05 0.56 -0.08 0.87 -0.67 0.00 0.00 178.83 179.57 2k77 h LYS 12 N 0.87 0.98 -0.70 1.46 1.57 -1.53 -0.41 116.57 118.81 2k77 h LYS 12 Ca 0.28 -0.35 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 2k77 h LYS 12 Cb 0.05 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2k77 h LYS 12 CO -0.08 1.03 0.19 -0.39 -0.57 0.00 0.00 179.45 179.63 2k77 h VAL 13 N 0.86 1.26 0.00 0.50 -1.51 -1.12 -0.26 116.25 115.97 2k77 h VAL 13 Ca 0.14 -0.94 -0.14 0.00 -1.23 0.00 0.00 66.70 64.53 2k77 h VAL 13 Cb 0.64 0.53 -0.02 0.00 -2.13 0.00 0.00 31.29 30.31 2k77 h VAL 13 CO 0.04 0.36 -0.66 -0.07 -1.23 0.00 0.00 177.57 176.02 2k77 h LEU 14 N 1.05 0.00 -0.27 4.19 3.38 -1.30 -0.74 115.31 121.61 2k77 h LEU 14 Ca 0.22 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.06 2k77 h LEU 14 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2k77 h LEU 14 CO -0.00 0.66 -0.34 0.00 0.09 0.00 0.00 178.44 178.84 2k77 h ALA 15 N 1.34 0.41 -0.40 1.53 0.00 -0.87 -3.22 119.26 118.05 2k77 h ALA 15 Ca -0.01 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 2k77 h ALA 15 Cb 1.18 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2k77 h ALA 15 CO 0.09 0.47 -0.08 -0.07 0.00 0.00 0.00 179.25 179.66 2k77 h LEU 16 N 0.45 0.66 -1.76 0.00 3.38 -0.95 -2.97 115.31 114.13 2k77 h LEU 16 Ca 0.03 -0.17 0.10 0.00 0.09 0.00 0.00 57.88 57.93 2k77 h LEU 16 Cb 0.93 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2k77 h LEU 16 CO 0.08 0.78 0.35 0.00 0.09 0.00 0.00 178.44 179.74 2k77 h ALA 17 N 1.29 2.12 -0.18 1.53 0.00 -1.14 0.69 119.26 123.56 2k77 h ALA 17 Ca 0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2k77 h ALA 17 Cb 0.51 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2k77 h ALA 17 CO 0.03 -0.24 -0.15 0.37 0.00 0.00 0.00 179.25 179.26 2k77 h GLN 18 N 0.27 0.42 -0.26 0.00 4.15 -1.55 -1.53 115.11 116.61 2k77 h GLN 18 Ca 0.24 -0.21 -0.12 0.00 0.77 0.00 0.00 58.65 59.33 2k77 h GLN 18 Cb 0.58 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 2k77 h GLN 18 CO -0.05 0.77 -0.33 1.49 -1.93 0.00 0.00 178.83 178.77 2k77 h GLU 19 N 0.08 0.57 -0.53 1.69 4.81 -1.38 -1.59 114.58 118.24 2k77 h GLU 19 Ca 0.03 -0.26 -0.07 0.00 -0.13 0.00 0.00 59.36 58.94 2k77 h GLU 19 Cb 0.68 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 2k77 h GLU 19 CO 0.04 0.83 0.05 0.93 -0.73 0.00 0.00 179.01 180.13 2k77 h GLU 20 N 0.48 0.85 -0.08 1.92 4.39 -0.91 0.16 114.58 121.40 2k77 h GLU 20 Ca 0.05 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 2k77 h GLU 20 Cb 0.81 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2k77 h GLU 20 CO 0.07 0.82 0.03 0.00 -1.16 0.00 0.00 179.01 178.77 2k77 h ALA 21 N 1.25 0.10 -0.16 3.43 0.00 -1.09 -2.98 119.26 119.82 2k77 h ALA 21 Ca 0.16 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2k77 h ALA 21 Cb 0.41 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2k77 h ALA 21 CO 0.01 -0.33 -0.27 -0.07 0.00 0.00 0.00 179.25 178.60 2k77 h LEU 22 N -0.02 0.29 -1.25 0.00 3.38 -1.01 -0.37 115.31 116.33 2k77 h LEU 22 Ca 0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2k77 h LEU 22 Cb 0.15 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2k77 h LEU 22 CO -0.00 0.57 0.36 -0.09 0.09 0.00 0.00 178.44 179.36 2k77 h ARG 23 N 0.26 0.87 -0.27 1.13 2.43 -0.69 -2.83 114.38 115.28 2k77 h ARG 23 Ca 0.04 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2k77 h ARG 23 Cb 0.62 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2k77 h ARG 23 CO 0.04 0.63 0.00 1.28 -1.51 0.00 0.00 179.97 180.41 2k77 n LEU 24 N -4.39 2.34 -1.16 3.80 4.77 -1.02 -4.95 117.00 116.39 2k77 n LEU 24 Ca 0.06 -1.01 -0.07 0.00 -0.03 0.00 0.00 56.01 54.97 2k77 n LEU 24 Cb 0.09 -0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.02 2k77 n LEU 24 CO 0.37 0.50 0.02 0.61 -1.33 0.00 0.00 177.39 177.57 2k77 n GLY 25 N 1.26 0.40 3.42 -0.72 0.00 -1.07 -4.23 105.19 104.25 2k77 n GLY 25 Ca 0.17 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 2k77 n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k77 s HIS 26 N -2.83 2.52 -0.94 1.61 3.76 -0.18 -0.81 115.29 118.42 2k77 s HIS 26 Ca 0.11 -0.29 0.17 0.00 -0.15 0.00 0.00 55.06 54.91 2k77 s HIS 26 Cb -0.05 -1.49 0.74 0.00 1.11 0.00 0.00 32.58 32.88 2k77 s HIS 26 CO 0.14 0.18 1.65 0.27 -0.85 0.00 0.00 174.74 176.13 2k77 n ASN 27 N 1.87 4.94 -3.78 1.40 6.94 -1.26 -3.40 115.26 121.97 2k77 n ASN 27 Ca -0.16 -2.55 -0.12 0.00 -0.02 0.00 0.00 54.58 51.73 2k77 n ASN 27 Cb 0.52 -0.60 -0.08 0.00 -2.36 0.00 0.00 39.78 37.26 2k77 n ASN 27 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2k77 s ASN 28 N -0.92 -0.10 -0.26 0.53 2.20 -1.26 -3.26 114.94 111.87 2k77 s ASN 28 Ca 0.52 -0.16 -0.13 0.00 -0.94 0.00 0.00 52.86 52.15 2k77 s ASN 28 Cb 0.35 0.33 -0.04 0.00 -2.00 0.00 0.00 41.25 39.88 2k77 s ASN 28 CO 0.23 -0.56 0.26 -0.63 -2.94 0.00 0.00 177.10 173.46 2k77 s ILE 29 N -2.23 5.27 0.48 0.54 1.01 0.06 -4.83 121.20 121.50 2k77 s ILE 29 Ca -0.07 0.35 0.07 0.00 0.00 0.00 0.00 60.65 60.99 2k77 s ILE 29 Cb -0.02 -3.59 0.07 0.00 0.01 0.00 0.00 42.46 38.92 2k77 s ILE 29 CO -0.01 0.24 0.54 0.61 0.00 0.00 0.00 174.94 176.32 2k77 n GLY 30 N 4.65 2.30 0.33 6.18 0.00 -1.26 -1.37 105.19 116.02 2k77 n GLY 30 Ca -0.12 -2.24 0.03 0.00 0.00 0.00 0.00 46.02 43.69 2k77 n GLY 30 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2k77 h THR 31 N 0.31 0.97 -0.69 2.61 1.35 -1.93 -1.89 112.91 113.64 2k77 h THR 31 Ca -0.26 -0.31 0.14 0.00 -0.55 0.00 0.00 66.41 65.43 2k77 h THR 31 Cb 1.06 -0.02 -0.10 0.00 -1.73 0.00 0.00 68.15 67.36 2k77 h THR 31 CO 0.38 0.17 0.19 1.05 -0.25 0.00 0.00 175.52 177.05 2k77 h GLU 32 N 0.92 0.29 0.01 4.72 9.09 -1.95 -0.48 114.58 127.18 2k77 h GLU 32 Ca 0.41 -0.02 -0.22 0.00 0.05 0.00 0.00 59.36 59.58 2k77 h GLU 32 Cb 0.30 -0.07 -0.00 0.00 -1.65 0.00 0.00 28.75 27.33 2k77 h GLU 32 CO -0.22 0.19 -0.95 0.45 0.05 0.00 0.00 179.01 178.54 2k77 h HIS 33 N 0.30 0.52 -0.77 2.06 3.86 -1.71 -0.58 115.15 118.83 2k77 h HIS 33 Ca 0.38 -0.29 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 2k77 h HIS 33 Cb 0.61 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.99 2k77 h HIS 33 CO -0.24 1.12 0.31 0.82 0.86 0.00 0.00 177.93 180.80 2k77 h ILE 34 N 0.19 1.26 -0.37 2.45 2.04 -1.16 0.68 117.51 122.60 2k77 h ILE 34 Ca -0.07 -0.81 -0.08 0.00 1.00 0.00 0.00 64.86 64.90 2k77 h ILE 34 Cb 1.59 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 2k77 h ILE 34 CO 0.16 0.33 -0.07 0.25 0.00 0.00 0.00 178.15 178.82 2k77 h LEU 35 N 1.12 0.70 -0.86 1.44 5.85 -0.95 -0.75 115.31 121.86 2k77 h LEU 35 Ca 0.26 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.66 2k77 h LEU 35 Cb 0.22 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 2k77 h LEU 35 CO -0.02 0.89 0.56 -0.07 -0.34 0.00 0.00 178.44 179.45 2k77 h LEU 36 N 0.51 0.93 -0.57 2.25 4.07 -0.97 -1.27 115.31 120.25 2k77 h LEU 36 Ca 0.10 -0.01 0.04 0.00 0.08 0.00 0.00 57.88 58.09 2k77 h LEU 36 Cb 0.57 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 42.05 2k77 h LEU 36 CO 0.03 0.64 0.32 1.23 -1.08 0.00 0.00 178.44 179.58 2k77 h GLY 37 N 1.09 0.82 0.84 0.83 0.00 -0.64 -0.31 103.07 105.69 2k77 h GLY 37 Ca 0.34 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 2k77 h GLY 37 CO -0.11 0.16 -0.39 1.41 0.00 0.00 0.00 176.54 177.61 2k77 h LEU 38 N 0.61 -0.99 -1.12 3.11 3.38 -0.56 -1.51 115.31 118.23 2k77 h LEU 38 Ca 0.25 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 2k77 h LEU 38 Cb 0.11 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2k77 h LEU 38 CO -0.14 -0.61 -0.06 -0.37 0.09 0.00 0.00 178.44 177.34 2k77 h VAL 39 N -0.98 0.14 0.00 1.22 -1.51 -1.17 -0.76 116.25 113.19 2k77 h VAL 39 Ca -0.08 -0.76 -0.15 0.00 -1.23 0.00 0.00 66.70 64.48 2k77 h VAL 39 Cb 0.79 1.66 -0.02 0.00 -2.13 0.00 0.00 31.29 31.59 2k77 h VAL 39 CO 0.08 0.06 -0.69 -0.09 -1.23 0.00 0.00 177.57 175.70 2k77 h ARG 40 N 0.00 0.00 -0.08 5.19 2.43 -1.04 -3.23 114.38 117.65 2k77 h ARG 40 Ca -0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2k77 h ARG 40 Cb 0.66 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2k77 h ARG 40 CO 0.01 0.69 -0.12 1.49 -1.51 0.00 0.00 179.97 180.54 2k77 h GLU 41 N 0.00 0.22 0.00 0.20 4.22 -0.77 -3.48 114.58 114.97 2k77 h GLU 41 Ca -0.01 -0.13 0.00 0.00 0.08 0.00 0.00 59.36 59.30 2k77 h GLU 41 Cb 1.41 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2k77 h GLU 41 CO 0.09 0.69 0.00 0.41 -2.18 0.00 0.00 179.01 178.02 2k77 n GLY 42 N 0.33 1.06 0.00 1.92 0.00 -0.34 -4.70 105.19 103.47 2k77 n GLY 42 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2k77 n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k77 n GLU 43 N -2.00 2.15 -0.77 1.61 2.13 -1.26 -4.42 120.64 118.07 2k77 n GLU 43 Ca 0.00 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 2k77 n GLU 43 Cb 0.00 -0.90 0.16 0.00 0.27 0.00 0.00 31.44 30.97 2k77 n GLU 43 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2k77 s GLY 44 N -2.06 1.68 0.23 8.31 0.00 -1.26 -4.65 107.32 109.57 2k77 s GLY 44 Ca 0.00 0.50 -0.06 0.00 0.00 0.00 0.00 44.72 45.17 2k77 s GLY 44 CO 0.00 0.93 1.79 -2.22 0.00 0.00 0.00 173.10 173.60 2k77 h ILE 45 N -1.81 0.88 -0.35 0.90 1.08 -1.95 -0.30 117.51 115.95 2k77 h ILE 45 Ca -0.44 -0.23 -0.05 0.00 -0.39 0.00 0.00 64.86 63.74 2k77 h ILE 45 Cb 1.27 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.14 2k77 h ILE 45 CO 0.43 0.12 0.02 0.00 -0.69 0.00 0.00 178.15 178.04 2k77 h ALA 46 N 1.44 0.47 -0.32 1.87 0.00 -1.90 0.85 119.26 121.67 2k77 h ALA 46 Ca 0.37 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2k77 h ALA 46 Cb 0.36 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2k77 h ALA 46 CO -0.26 0.21 -0.19 0.00 0.00 0.00 0.00 179.25 179.01 2k77 h ALA 47 N 0.88 1.08 -0.27 0.00 0.00 -1.69 -0.53 119.26 118.73 2k77 h ALA 47 Ca 0.10 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2k77 h ALA 47 Cb 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2k77 h ALA 47 CO 0.01 0.56 -0.30 -0.22 0.00 0.00 0.00 179.25 179.31 2k77 h LYS 48 N 0.52 0.55 -0.45 0.00 3.64 -0.94 -1.76 116.57 118.13 2k77 h LYS 48 Ca 0.08 -0.23 -0.13 0.00 -1.27 0.00 0.00 60.65 59.10 2k77 h LYS 48 Cb 0.62 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2k77 h LYS 48 CO 0.04 0.79 -0.22 0.00 -2.27 0.00 0.00 179.45 177.79 2k77 h ALA 49 N 1.20 0.64 -0.34 5.00 0.00 -0.47 0.32 119.26 125.61 2k77 h ALA 49 Ca 0.06 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2k77 h ALA 49 Cb 0.76 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2k77 h ALA 49 CO 0.06 0.63 0.22 -0.07 0.00 0.00 0.00 179.25 180.09 2k77 h LEU 50 N 0.79 0.39 -1.11 0.00 3.38 -1.01 -1.19 115.31 116.57 2k77 h LEU 50 Ca 0.10 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 2k77 h LEU 50 Cb 0.80 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2k77 h LEU 50 CO 0.07 0.29 -0.09 1.56 0.09 0.00 0.00 178.44 180.36 2k77 h GLN 51 N 0.46 0.53 -0.27 1.13 4.20 -1.25 -0.85 115.11 119.06 2k77 h GLN 51 Ca 0.12 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 2k77 h GLN 51 Cb -0.04 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 2k77 h GLN 51 CO -0.03 0.62 -0.16 0.00 -0.67 0.00 0.00 178.83 178.59 2k77 h ALA 52 N 1.42 1.24 0.00 3.87 0.00 -0.62 -1.44 119.26 123.72 2k77 h ALA 52 Ca 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k77 h ALA 52 Cb 0.45 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2k77 h ALA 52 CO 0.02 0.50 0.00 1.28 0.00 0.00 0.00 179.25 181.05 2k77 n LEU 53 N -4.19 0.00 0.00 0.00 4.77 -0.48 -4.89 117.00 112.22 2k77 n LEU 53 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2k77 n LEU 53 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2k77 n LEU 53 CO 0.40 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2k77 n GLY 54 N 0.39 0.76 3.42 -0.72 0.00 -0.54 -4.99 105.19 103.50 2k77 n GLY 54 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 2k77 n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k77 s LEU 55 N 0.00 4.89 0.70 0.99 1.43 -0.35 -4.96 118.68 121.38 2k77 s LEU 55 Ca 0.00 -1.26 -0.14 0.00 -1.03 0.00 0.00 54.13 51.70 2k77 s LEU 55 Cb 0.00 -2.36 0.02 0.00 0.03 0.00 0.00 46.19 43.88 2k77 s LEU 55 CO 0.00 -1.27 1.13 -0.83 0.23 0.00 0.00 176.35 175.61 2k77 s GLY 56 N 3.65 2.13 0.20 -3.19 0.00 -1.26 -3.21 107.32 105.64 2k77 s GLY 56 Ca 0.18 0.60 -0.10 0.00 0.00 0.00 0.00 44.72 45.40 2k77 s GLY 56 CO 0.07 0.96 1.77 1.48 0.00 0.00 0.00 173.10 177.39 2k77 h SER 57 N -0.26 0.35 -0.82 1.64 4.64 -1.97 -2.21 113.55 114.92 2k77 h SER 57 Ca -0.46 0.06 0.13 0.00 -0.47 0.00 0.00 61.79 61.04 2k77 h SER 57 Cb 1.26 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.26 2k77 h SER 57 CO 0.52 0.22 0.42 -0.08 -0.87 0.00 0.00 176.83 177.04 2k77 h GLU 58 N 0.50 0.63 -0.22 4.77 4.81 -1.94 -0.49 114.58 122.65 2k77 h GLU 58 Ca 0.29 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.34 2k77 h GLU 58 Cb 0.29 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2k77 h GLU 58 CO -0.25 0.42 -0.41 0.87 -0.73 0.00 0.00 179.01 178.91 2k77 h LYS 59 N 0.65 0.66 -0.12 1.92 1.79 -1.78 -0.37 116.57 119.32 2k77 h LYS 59 Ca 0.43 -0.42 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2k77 h LYS 59 Cb 0.55 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2k77 h LYS 59 CO -0.33 1.04 -0.01 0.82 -1.08 0.00 0.00 179.45 179.89 2k77 h ILE 60 N 0.37 1.27 -0.61 1.86 2.04 -1.37 -2.59 117.51 118.47 2k77 h ILE 60 Ca 0.01 -0.89 -0.08 0.00 1.00 0.00 0.00 64.86 64.90 2k77 h ILE 60 Cb 1.01 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 2k77 h ILE 60 CO 0.09 0.26 0.06 1.56 0.00 0.00 0.00 178.15 180.12 2k77 h GLN 61 N -0.07 1.03 -0.49 2.37 4.20 -1.03 -1.49 115.11 119.62 2k77 h GLN 61 Ca 0.03 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 2k77 h GLN 61 Cb 0.40 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 2k77 h GLN 61 CO 0.01 0.97 0.22 -0.22 -0.67 0.00 0.00 178.83 179.13 2k77 h LYS 62 N 0.95 0.72 -0.61 1.46 3.64 -1.12 -0.29 116.57 121.33 2k77 h LYS 62 Ca 0.18 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 2k77 h LYS 62 Cb 0.47 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2k77 h LYS 62 CO 0.02 0.62 0.08 0.93 -2.27 0.00 0.00 179.45 178.83 2k77 h GLU 63 N 0.65 1.00 0.31 1.90 4.39 -1.22 -1.01 114.58 120.60 2k77 h GLU 63 Ca 0.17 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 2k77 h GLU 63 Cb 0.16 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2k77 h GLU 63 CO -0.02 0.93 -0.15 0.28 -1.16 0.00 0.00 179.01 178.90 2k77 h VAL 64 N 0.94 0.71 -0.06 3.13 2.07 -1.15 -3.21 116.25 118.68 2k77 h VAL 64 Ca 0.18 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2k77 h VAL 64 Cb 0.44 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2k77 h VAL 64 CO 0.01 0.07 -0.12 -0.33 0.02 0.00 0.00 177.57 177.22 2k77 h GLU 65 N -0.61 0.09 0.00 1.57 5.08 -0.95 -0.31 114.58 119.45 2k77 h GLU 65 Ca -0.04 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2k77 h GLU 65 Cb 0.44 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 2k77 h GLU 65 CO 0.07 0.22 -0.09 1.03 -1.00 0.00 0.00 179.01 179.24 2k77 h SER 66 N 0.09 0.00 0.03 1.42 0.87 -1.22 -1.02 113.55 113.71 2k77 h SER 66 Ca 0.02 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.26 2k77 h SER 66 Cb 0.28 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.20 2k77 h SER 66 CO 0.02 0.09 -1.74 0.18 -0.53 0.00 0.00 176.83 174.85 2k77 n LEU 67 N -4.30 2.15 -0.28 2.23 4.77 -0.28 -4.64 117.00 116.66 2k77 n LEU 67 Ca -0.03 0.32 0.11 0.00 -0.03 0.00 0.00 56.01 56.38 2k77 n LEU 67 Cb 0.17 -0.98 -0.06 0.00 -2.33 0.00 0.00 43.42 40.22 2k77 n LEU 67 CO 0.34 0.52 0.15 2.30 -1.33 0.00 0.00 177.39 179.37 2k77 n ILE 68 N -4.08 0.00 -1.53 -0.08 -5.35 -0.33 -4.82 119.36 103.17 2k77 n ILE 68 Ca -0.37 -0.14 -0.39 0.00 -0.27 0.00 0.00 62.75 61.57 2k77 n ILE 68 Cb 0.83 1.14 -0.05 0.00 -1.74 0.00 0.00 39.64 39.82 2k77 n ILE 68 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k77 n GLY 69 N 1.46 2.37 0.00 3.28 0.00 -0.39 -4.20 105.19 107.71 2k77 n GLY 69 Ca 0.07 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2k77 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k77 n ARG 70 N 7.32 2.60 -0.21 1.61 5.12 -1.26 -5.00 116.66 126.83 2k77 n ARG 70 Ca 0.49 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.41 2k77 n ARG 70 Cb 0.42 -0.70 0.00 0.00 -1.16 0.00 0.00 32.46 31.02 2k77 n ARG 70 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k77 n GLY 71 N 1.24 -3.36 0.00 -0.13 0.00 -1.26 -5.08 105.19 96.60 2k77 n GLY 71 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2k77 n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k77 n GLN 72 N -0.68 0.00 -1.83 1.61 10.64 0.01 -5.01 117.38 122.13 2k77 n GLN 72 Ca 0.00 -0.15 -0.42 0.00 -1.83 0.00 0.00 57.00 54.60 2k77 n GLN 72 Cb 0.00 -0.22 -0.03 0.00 -0.86 0.00 0.00 30.24 29.13 2k77 n GLN 72 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 2k77 s GLU 73 N 0.00 4.17 -0.41 2.61 2.12 -0.35 -4.61 118.70 122.23 2k77 s GLU 73 Ca 0.00 2.47 0.04 0.00 0.36 0.00 0.00 54.97 57.85 2k77 s GLU 73 Cb 0.00 -3.38 0.46 0.00 0.26 0.00 0.00 34.13 31.47 2k77 s GLU 73 CO 0.00 -0.74 1.47 -1.33 -0.54 0.00 0.00 175.26 174.12 2k77 n MET 74 N 4.88 3.25 -3.67 4.30 2.81 -1.26 -4.96 117.12 122.48 2k77 n MET 74 Ca 0.16 -3.85 -0.21 0.00 -1.81 0.00 0.00 57.70 51.99 2k77 n MET 74 Cb 0.38 -2.26 0.04 0.00 -0.71 0.00 0.00 33.22 30.67 2k77 n MET 74 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2k77 n SER 75 N -0.79 -1.28 -4.07 7.83 7.64 -1.26 -5.02 113.62 116.67 2k77 n SER 75 Ca 0.49 -0.79 -0.13 0.00 1.01 0.00 0.00 58.87 59.45 2k77 n SER 75 Cb 0.88 -4.19 -0.11 0.00 -1.01 0.00 0.00 64.21 59.77 2k77 n SER 75 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2k77 s GLN 76 N -5.90 0.54 0.99 1.43 0.74 -1.26 -5.17 119.66 111.03 2k77 s GLN 76 Ca 0.01 -0.77 -0.12 0.00 0.05 0.00 0.00 55.36 54.53 2k77 s GLN 76 Cb -0.00 -0.31 0.18 0.00 1.10 0.00 0.00 33.01 33.98 2k77 s GLN 76 CO 0.80 0.05 1.09 -0.08 -0.55 0.00 0.00 175.29 176.61 2k77 s THR 77 N -1.39 2.13 0.40 -0.34 -1.32 -1.26 -4.77 115.64 109.09 2k77 s THR 77 Ca -0.10 0.04 -0.25 0.00 -1.21 0.00 0.00 61.69 60.18 2k77 s THR 77 Cb -0.10 -2.53 -0.08 0.00 -1.51 0.00 0.00 72.50 68.27 2k77 s THR 77 CO 0.00 -0.05 1.12 -0.63 -2.21 0.00 0.00 174.62 172.85 2k77 s ILE 78 N -2.96 3.39 0.07 5.08 1.09 -1.26 -4.80 121.20 121.81 2k77 s ILE 78 Ca 0.65 1.11 0.00 0.00 -1.10 0.00 0.00 60.65 61.31 2k77 s ILE 78 Cb -0.18 -3.60 -0.04 0.00 -1.06 0.00 0.00 42.46 37.58 2k77 s ILE 78 CO 0.57 0.05 -0.05 -2.28 -0.10 0.00 0.00 174.94 173.14 2k77 s HIS 79 N -1.52 0.68 -0.13 3.97 5.65 -1.20 -4.99 115.29 117.75 2k77 s HIS 79 Ca 0.58 -1.00 -0.13 0.00 0.25 0.00 0.00 55.06 54.75 2k77 s HIS 79 Cb -0.27 -0.44 -0.05 0.00 -1.18 0.00 0.00 32.58 30.64 2k77 s HIS 79 CO 0.34 -0.28 0.30 0.71 -0.65 0.00 0.00 174.74 175.16 2k77 s TYR 80 N -3.79 3.53 0.92 3.88 1.51 -1.26 -0.76 117.35 121.37 2k77 s TYR 80 Ca 0.09 0.67 -0.11 0.00 -1.01 0.00 0.00 57.07 56.71 2k77 s TYR 80 Cb 0.07 -2.29 0.14 0.00 -0.11 0.00 0.00 41.96 39.77 2k77 s TYR 80 CO -0.08 0.37 1.09 0.95 -1.11 0.00 0.00 175.55 176.77 2k77 s THR 81 N 0.02 2.57 0.46 -0.71 -4.23 -0.47 -4.72 115.64 108.56 2k77 s THR 81 Ca 0.18 0.18 0.18 0.00 -1.18 0.00 0.00 61.69 61.06 2k77 s THR 81 Cb -0.14 -2.52 0.36 0.00 1.34 0.00 0.00 72.50 71.54 2k77 s THR 81 CO 0.06 -0.24 1.96 -0.65 -0.54 0.00 0.00 174.62 175.21 2k77 h PRO 82 N -1.69 0.27 -0.11 3.99 0.11 -1.99 0.74 132.00 133.32 2k77 h PRO 82 Ca -0.49 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2k77 h PRO 82 Cb 1.28 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2k77 h PRO 82 CO 0.51 0.18 -0.02 0.00 -0.21 0.00 0.00 178.00 178.46 2k77 h ARG 83 N 0.28 0.20 -0.41 1.05 3.08 -1.93 -1.74 114.38 114.91 2k77 h ARG 83 Ca 0.30 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 60.15 2k77 h ARG 83 Cb 0.81 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 2k77 h ARG 83 CO -0.07 0.50 -0.26 0.00 -1.07 0.00 0.00 179.97 179.07 2k77 h ALA 84 N 0.70 0.76 -0.52 0.04 0.00 -1.65 -0.89 119.26 117.70 2k77 h ALA 84 Ca 0.03 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.54 2k77 h ALA 84 Cb 0.42 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2k77 h ALA 84 CO 0.01 0.66 0.34 -0.22 0.00 0.00 0.00 179.25 180.04 2k77 h LYS 85 N 0.74 0.68 -0.50 0.00 1.63 -0.91 0.34 116.57 118.55 2k77 h LYS 85 Ca 0.09 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 2k77 h LYS 85 Cb 0.81 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.27 2k77 h LYS 85 CO 0.07 0.45 0.27 -0.22 -3.45 0.00 0.00 179.45 176.57 2k77 h LYS 86 N 0.70 0.69 -0.61 1.90 3.64 -1.15 -1.51 116.57 120.23 2k77 h LYS 86 Ca 0.19 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 2k77 h LYS 86 Cb -0.07 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.57 2k77 h LYS 86 CO -0.05 0.54 0.36 0.28 -2.27 0.00 0.00 179.45 178.32 2k77 h VAL 87 N 0.66 1.05 -0.35 2.00 2.07 -0.83 -0.32 116.25 120.52 2k77 h VAL 87 Ca 0.17 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 2k77 h VAL 87 Cb 0.05 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 2k77 h VAL 87 CO -0.03 0.13 0.12 0.40 0.02 0.00 0.00 177.57 178.21 2k77 h ILE 88 N 0.71 1.20 -0.62 4.57 1.08 -0.61 0.19 117.51 124.04 2k77 h ILE 88 Ca 0.25 -0.65 -0.07 0.00 -0.39 0.00 0.00 64.86 64.00 2k77 h ILE 88 Cb 0.06 0.96 -0.03 0.00 -3.07 0.00 0.00 36.82 34.75 2k77 h ILE 88 CO -0.12 0.23 0.10 -0.33 -0.69 0.00 0.00 178.15 177.34 2k77 h GLU 89 N 0.42 1.01 -0.44 2.37 5.08 -1.16 -1.99 114.58 119.88 2k77 h GLU 89 Ca 0.12 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.10 2k77 h GLU 89 Cb 0.23 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2k77 h GLU 89 CO -0.01 0.93 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.68 2k77 h LEU 90 N 0.95 0.87 -0.75 1.33 3.38 -0.81 -0.79 115.31 119.49 2k77 h LEU 90 Ca 0.19 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2k77 h LEU 90 Cb 0.41 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2k77 h LEU 90 CO 0.01 1.04 0.42 0.28 0.09 0.00 0.00 178.44 180.28 2k77 h SER 91 N 0.75 0.93 -0.45 -0.43 0.02 -0.44 0.43 113.55 114.37 2k77 h SER 91 Ca 0.11 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.86 2k77 h SER 91 Cb 0.72 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 2k77 h SER 91 CO 0.06 0.75 -0.12 -0.03 -1.14 0.00 0.00 176.83 176.35 2k77 h MET 92 N 1.03 0.92 -0.26 3.45 1.85 -1.24 -1.82 114.93 118.86 2k77 h MET 92 Ca 0.26 -0.33 -0.14 0.00 -0.61 0.00 0.00 59.70 58.88 2k77 h MET 92 Cb 0.02 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 31.98 2k77 h MET 92 CO -0.04 0.98 -0.43 0.22 -0.40 0.00 0.00 176.91 177.24 2k77 h ASP 93 N 0.82 0.68 -0.04 1.39 3.58 -0.75 -3.18 116.42 118.92 2k77 h ASP 93 Ca 0.13 -0.32 -0.17 0.00 0.42 0.00 0.00 57.03 57.10 2k77 h ASP 93 Cb 0.65 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.50 2k77 h ASP 93 CO 0.04 1.02 -0.56 -0.33 -2.88 0.00 0.00 179.24 176.54 2k77 h GLU 94 N 0.52 0.63 -0.69 0.28 4.39 -0.86 -3.22 114.58 115.62 2k77 h GLU 94 Ca 0.04 -0.40 0.06 0.00 0.34 0.00 0.00 59.36 59.40 2k77 h GLU 94 Cb 0.96 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.60 2k77 h GLU 94 CO 0.09 1.01 0.38 0.00 -1.16 0.00 0.00 179.01 179.34 2k77 h ALA 95 N 0.90 0.93 0.00 3.43 0.00 -1.31 -2.34 119.26 120.86 2k77 h ALA 95 Ca 0.01 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2k77 h ALA 95 Cb 1.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2k77 h ALA 95 CO 0.11 0.06 -0.41 0.07 0.00 0.00 0.00 179.25 179.08 2k77 h ARG 96 N 0.71 0.00 -0.05 0.00 0.11 -1.62 -1.26 114.38 112.27 2k77 h ARG 96 Ca 0.31 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.28 2k77 h ARG 96 Cb 0.20 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.26 2k77 h ARG 96 CO -0.19 0.41 -0.46 0.87 0.10 0.00 0.00 179.97 180.70 2k77 h LYS 97 N 0.00 0.12 -0.26 0.08 1.57 -1.44 -1.99 116.57 114.65 2k77 h LYS 97 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2k77 h LYS 97 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2k77 h LYS 97 CO 0.05 0.56 0.00 1.28 -0.57 0.00 0.00 179.45 180.78 2k77 n LEU 98 N -3.98 1.68 0.00 2.94 7.99 -1.10 -4.96 117.00 119.58 2k77 n LEU 98 Ca -0.02 -0.79 0.00 0.00 -0.01 0.00 0.00 56.01 55.20 2k77 n LEU 98 Cb 0.50 -0.17 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 2k77 n LEU 98 CO 0.41 0.39 0.00 0.61 -1.51 0.00 0.00 177.39 177.30 2k77 n GLY 99 N 1.06 0.50 3.81 -0.72 0.00 -0.75 -5.05 105.19 104.05 2k77 n GLY 99 Ca 0.13 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 2k77 n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k77 s HIS 100 N -2.00 3.79 -0.50 1.61 3.76 -0.49 -4.98 115.29 116.49 2k77 s HIS 100 Ca 0.00 1.26 0.08 0.00 -0.15 0.00 0.00 55.06 56.25 2k77 s HIS 100 Cb 0.00 -2.49 0.52 0.00 1.11 0.00 0.00 32.58 31.72 2k77 s HIS 100 CO 0.00 0.58 1.32 -1.13 -0.85 0.00 0.00 174.74 174.66 2k77 n SER 101 N 1.64 3.99 -3.47 1.40 3.41 -1.26 -3.76 113.62 115.57 2k77 n SER 101 Ca -0.10 -2.63 -0.14 0.00 -0.26 0.00 0.00 58.87 55.74 2k77 n SER 101 Cb 0.51 -0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 63.79 2k77 n SER 101 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2k77 s TYR 102 N -2.13 -0.56 -0.35 7.33 -0.85 -1.24 -4.32 117.35 115.23 2k77 s TYR 102 Ca 0.35 0.64 -0.17 0.00 -0.52 0.00 0.00 57.07 57.36 2k77 s TYR 102 Cb 0.27 0.50 -0.00 0.00 0.38 0.00 0.00 41.96 43.10 2k77 s TYR 102 CO 0.10 -0.70 0.47 0.08 -1.52 0.00 0.00 175.55 173.98 2k77 s VAL 103 N -2.57 5.06 0.77 -3.49 1.01 0.58 -4.87 120.40 116.88 2k77 s VAL 103 Ca -0.03 0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.09 2k77 s VAL 103 Cb -0.01 -3.93 0.10 0.00 0.00 0.00 0.00 36.38 32.55 2k77 s VAL 103 CO -0.03 -0.19 1.09 -0.83 0.00 0.00 0.00 175.10 175.13 2k77 s GLY 104 N 1.76 1.72 0.26 4.51 0.00 -1.26 -1.28 107.32 113.02 2k77 s GLY 104 Ca 0.16 -1.12 -0.04 0.00 0.00 0.00 0.00 44.72 43.73 2k77 s GLY 104 CO 0.13 -0.60 1.89 -0.91 0.00 0.00 0.00 173.10 173.61 2k77 h THR 105 N -0.84 1.13 -0.49 0.90 1.35 -1.93 -1.43 112.91 111.61 2k77 h THR 105 Ca -0.43 -0.42 0.10 0.00 -0.55 0.00 0.00 66.41 65.11 2k77 h THR 105 Cb 1.29 -0.19 -0.10 0.00 -1.73 0.00 0.00 68.15 67.42 2k77 h THR 105 CO 0.52 0.22 -0.27 1.05 -0.25 0.00 0.00 175.52 176.79 2k77 h GLU 106 N 1.22 -0.15 0.00 4.72 9.09 -1.94 -1.76 114.58 125.76 2k77 h GLU 106 Ca 0.41 0.01 -0.12 0.00 0.05 0.00 0.00 59.36 59.72 2k77 h GLU 106 Cb 0.08 0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.19 2k77 h GLU 106 CO -0.15 -0.10 -0.55 0.45 0.05 0.00 0.00 179.01 178.71 2k77 h HIS 107 N -0.16 0.00 -0.23 2.06 3.86 -1.72 -1.45 115.15 117.51 2k77 h HIS 107 Ca 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 2k77 h HIS 107 Cb 0.51 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 2k77 h HIS 107 CO -0.53 0.55 0.15 0.82 0.86 0.00 0.00 177.93 179.78 2k77 h ILE 108 N 0.00 1.07 -0.59 2.45 2.04 -0.80 -0.76 117.51 120.91 2k77 h ILE 108 Ca -0.01 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 2k77 h ILE 108 Cb 1.01 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 2k77 h ILE 108 CO 0.07 0.06 0.20 0.25 0.00 0.00 0.00 178.15 178.74 2k77 h LEU 109 N 0.30 0.85 -1.33 1.44 5.85 -1.00 -1.35 115.31 120.07 2k77 h LEU 109 Ca 0.08 -0.20 0.09 0.00 0.84 0.00 0.00 57.88 58.69 2k77 h LEU 109 Cb -0.02 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 2k77 h LEU 109 CO -0.02 0.82 0.52 -0.07 -0.34 0.00 0.00 178.44 179.35 2k77 h LEU 110 N 0.83 0.68 -0.36 2.25 3.38 -1.09 -1.56 115.31 119.44 2k77 h LEU 110 Ca 0.19 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2k77 h LEU 110 Cb 0.26 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2k77 h LEU 110 CO -0.01 0.42 0.16 1.23 0.09 0.00 0.00 178.44 180.32 2k77 h GLY 111 N 0.76 0.58 0.89 0.83 0.00 -0.49 -0.88 103.07 104.76 2k77 h GLY 111 Ca 0.36 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.40 2k77 h GLY 111 CO -0.13 0.29 0.10 1.41 0.00 0.00 0.00 176.54 178.20 2k77 h LEU 112 N 0.44 0.14 -0.49 3.11 3.38 -0.34 -1.27 115.31 120.28 2k77 h LEU 112 Ca 0.12 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.93 2k77 h LEU 112 Cb 0.16 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2k77 h LEU 112 CO -0.01 0.11 -0.69 0.16 0.09 0.00 0.00 178.44 178.10 2k77 h ILE 113 N 0.21 1.39 -0.04 1.22 3.07 -1.37 -3.07 117.51 118.93 2k77 h ILE 113 Ca 0.09 -2.12 -0.09 0.00 1.55 0.00 0.00 64.86 64.28 2k77 h ILE 113 Cb 0.03 2.10 -0.01 0.00 -0.27 0.00 0.00 36.82 38.66 2k77 h ILE 113 CO -0.07 0.63 -0.42 -0.09 -1.05 0.00 0.00 178.15 177.16 2k77 h ARG 114 N 0.22 0.08 -0.22 0.16 9.65 -1.00 -2.84 114.38 120.43 2k77 h ARG 114 Ca -0.02 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 2k77 h ARG 114 Cb 1.24 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.81 2k77 h ARG 114 CO 0.11 0.48 0.04 1.49 2.80 0.00 0.00 179.97 184.89 2k77 h GLU 115 N 0.06 0.36 0.00 0.20 4.22 -1.25 -3.47 114.58 114.71 2k77 h GLU 115 Ca 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 59.35 2k77 h GLU 115 Cb 0.77 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2k77 h GLU 115 CO 0.06 0.50 0.00 0.41 -2.18 0.00 0.00 179.01 177.80 2k77 n GLY 116 N -0.46 0.50 0.00 1.92 0.00 -1.08 -4.73 105.19 101.35 2k77 n GLY 116 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2k77 n GLY 116 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k77 n GLU 117 N -1.89 2.48 -0.62 1.61 2.13 -1.26 -4.82 120.64 118.27 2k77 n GLU 117 Ca 0.00 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.54 2k77 n GLU 117 Cb 0.03 -0.81 0.25 0.00 0.27 0.00 0.00 31.44 31.17 2k77 n GLU 117 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2k77 s GLY 118 N -2.13 1.54 0.34 8.31 0.00 -1.26 -4.70 107.32 109.42 2k77 s GLY 118 Ca 0.00 -0.18 0.04 0.00 0.00 0.00 0.00 44.72 44.58 2k77 s GLY 118 CO 0.00 0.54 1.94 -2.08 0.00 0.00 0.00 173.10 173.50 2k77 h VAL 119 N -2.58 1.05 -0.13 1.40 2.07 -1.98 -1.98 116.25 114.10 2k77 h VAL 119 Ca -0.61 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 66.62 2k77 h VAL 119 Cb 1.34 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 2k77 h VAL 119 CO 0.51 0.16 0.03 0.00 0.02 0.00 0.00 177.57 178.29 2k77 h ALA 120 N 1.57 0.13 -0.68 1.67 0.00 -1.92 0.34 119.26 120.37 2k77 h ALA 120 Ca 0.34 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 2k77 h ALA 120 Cb 0.21 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2k77 h ALA 120 CO -0.12 -0.42 0.28 0.00 0.00 0.00 0.00 179.25 178.99 2k77 h ALA 121 N 1.09 1.21 -0.26 0.00 0.00 -1.65 -2.61 119.26 117.04 2k77 h ALA 121 Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2k77 h ALA 121 Cb 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2k77 h ALA 121 CO -0.07 0.58 0.14 -0.09 0.00 0.00 0.00 179.25 179.80 2k77 h ARG 122 N 0.97 0.37 -0.28 0.00 9.65 -0.82 -2.38 114.38 121.89 2k77 h ARG 122 Ca 0.23 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.06 2k77 h ARG 122 Cb 0.18 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 2k77 h ARG 122 CO -0.02 0.34 0.16 0.28 2.80 0.00 0.00 179.97 183.53 2k77 h VAL 123 N 0.31 1.11 -0.69 0.20 2.07 -0.84 -0.42 116.25 117.99 2k77 h VAL 123 Ca 0.09 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2k77 h VAL 123 Cb 0.08 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2k77 h VAL 123 CO -0.01 0.11 0.41 -0.07 0.02 0.00 0.00 177.57 178.02 2k77 h LEU 124 N 0.34 0.83 -0.94 2.57 3.38 -1.44 -1.63 115.31 118.43 2k77 h LEU 124 Ca 0.10 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2k77 h LEU 124 Cb 0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2k77 h LEU 124 CO -0.02 0.66 -0.34 0.78 0.09 0.00 0.00 178.44 179.61 2k77 h ASN 125 N 0.94 0.37 -0.67 -0.43 2.35 -1.18 0.13 115.58 117.09 2k77 h ASN 125 Ca 0.25 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 2k77 h ASN 125 Cb -0.02 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 2k77 h ASN 125 CO -0.04 0.69 0.17 0.78 -1.65 0.00 0.00 177.43 177.38 2k77 h ASN 126 N 0.32 1.02 0.60 5.81 2.35 -0.69 -3.24 115.58 121.74 2k77 h ASN 126 Ca 0.04 -0.23 -0.23 0.00 -0.55 0.00 0.00 56.30 55.33 2k77 h ASN 126 Cb 0.75 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 2k77 h ASN 126 CO 0.06 0.98 -1.03 -0.07 -1.65 0.00 0.00 177.43 175.72 2k77 h LEU 127 N 1.00 0.34 0.00 1.61 3.38 -1.07 -3.48 115.31 117.09 2k77 h LEU 127 Ca 0.21 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2k77 h LEU 127 Cb 0.36 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2k77 h LEU 127 CO 0.00 1.17 0.00 0.61 0.09 0.00 0.00 178.44 180.31 2k77 n GLY 128 N 1.17 0.02 3.80 0.83 0.00 -0.15 -5.11 105.19 105.76 2k77 n GLY 128 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 2k77 n GLY 128 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k77 s VAL 129 N -0.81 4.29 0.23 1.61 1.01 -0.18 -4.94 120.40 121.61 2k77 s VAL 129 Ca 0.00 1.68 0.01 0.00 0.00 0.00 0.00 61.98 63.67 2k77 s VAL 129 Cb 0.00 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 2k77 s VAL 129 CO 0.00 -0.03 0.07 -0.55 0.00 0.00 0.00 175.10 174.59 2k77 s SER 130 N -1.84 1.15 0.22 3.32 0.15 -1.26 -2.92 113.70 112.52 2k77 s SER 130 Ca 0.55 -1.32 -0.10 0.00 0.70 0.00 0.00 55.95 55.77 2k77 s SER 130 Cb -0.15 0.16 0.31 0.00 -1.71 0.00 0.00 66.02 64.64 2k77 s SER 130 CO 0.20 -0.69 1.65 0.25 1.20 0.00 0.00 173.24 175.85 2k77 h LEU 131 N 2.48 -0.35 -0.19 3.45 6.46 -1.98 -1.05 115.31 124.13 2k77 h LEU 131 Ca -0.38 0.17 -0.22 0.00 -0.12 0.00 0.00 57.88 57.34 2k77 h LEU 131 Cb 1.23 0.31 0.01 0.00 -0.73 0.00 0.00 40.66 41.48 2k77 h LEU 131 CO 0.61 -0.15 -0.74 -0.55 -0.62 0.00 0.00 178.44 177.00 2k77 h ASN 132 N 0.09 0.95 -0.23 1.25 7.08 -1.98 -1.29 115.58 121.46 2k77 h ASN 132 Ca 0.34 -0.60 -0.00 0.00 -3.08 0.00 0.00 56.30 52.95 2k77 h ASN 132 Cb 0.55 -0.28 -0.01 0.00 -2.08 0.00 0.00 38.32 36.50 2k77 h ASN 132 CO -0.58 1.40 0.13 0.11 -2.08 0.00 0.00 177.43 176.41 2k77 h LYS 133 N 0.57 0.31 -0.28 4.14 1.57 -1.83 -1.01 116.57 120.04 2k77 h LYS 133 Ca -0.04 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 2k77 h LYS 133 Cb 1.36 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 2k77 h LYS 133 CO 0.15 0.28 0.00 0.00 -0.57 0.00 0.00 179.45 179.31 2k77 h ALA 134 N 1.02 0.37 -0.09 3.86 0.00 -1.27 -2.56 119.26 120.60 2k77 h ALA 134 Ca 0.08 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2k77 h ALA 134 Cb 0.05 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2k77 h ALA 134 CO -0.01 0.11 -0.19 0.00 0.00 0.00 0.00 179.25 179.16 2k77 h ARG 135 N 0.27 -0.25 -0.77 0.00 3.08 -1.13 -1.07 114.38 114.51 2k77 h ARG 135 Ca 0.08 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 2k77 h ARG 135 Cb 0.42 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 2k77 h ARG 135 CO 0.01 -0.17 0.34 1.96 -1.07 0.00 0.00 179.97 181.04 2k77 h GLN 136 N -0.26 1.14 -0.26 0.04 4.20 -1.15 0.73 115.11 119.55 2k77 h GLN 136 Ca 0.08 -0.19 -0.14 0.00 0.06 0.00 0.00 58.65 58.47 2k77 h GLN 136 Cb 0.38 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 2k77 h GLN 136 CO -0.24 0.91 -0.38 1.96 -0.67 0.00 0.00 178.83 180.41 2k77 h GLN 137 N 1.11 0.72 -0.32 1.46 1.08 -1.35 -2.14 115.11 115.67 2k77 h GLN 137 Ca 0.26 -0.43 -0.05 0.00 -1.45 0.00 0.00 58.65 56.99 2k77 h GLN 137 Cb 0.17 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2k77 h GLN 137 CO -0.03 1.05 0.01 0.28 -0.95 0.00 0.00 178.83 179.19 2k77 h VAL 138 N 0.45 1.26 0.00 -0.54 2.07 -0.96 -0.20 116.25 118.33 2k77 h VAL 138 Ca 0.03 -0.94 -0.07 0.00 0.82 0.00 0.00 66.70 66.54 2k77 h VAL 138 Cb 0.97 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 2k77 h VAL 138 CO 0.09 0.31 -0.33 -0.07 0.02 0.00 0.00 177.57 177.58 2k77 h LEU 139 N 0.36 0.00 0.00 2.57 3.38 -0.92 -1.64 115.31 119.06 2k77 h LEU 139 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2k77 h LEU 139 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2k77 h LEU 139 CO 0.02 0.33 -0.03 1.56 0.09 0.00 0.00 178.44 180.41 2k77 h GLN 140 N 0.00 0.02 0.00 1.13 4.20 -1.30 -3.39 115.11 115.77 2k77 h GLN 140 Ca -0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2k77 h GLN 140 Cb 0.71 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 2k77 h GLN 140 CO 0.04 0.83 -0.02 1.25 -0.67 0.00 0.00 178.83 180.27 2k77 h LEU 141 N -0.79 0.00 0.00 1.46 5.85 -0.81 -0.05 115.31 120.97 2k77 h LEU 141 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k77 h LEU 141 Cb 0.85 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2k77 h LEU 141 CO 0.01 0.02 0.00 0.00 -0.34 0.00 0.00 178.44 178.12 2k77 n LEU 142 N -3.11 0.00 0.00 2.25 -0.00 -0.64 -4.67 117.00 110.83 2k77 n LEU 142 Ca 0.02 0.43 0.00 0.00 -0.00 0.00 0.00 56.01 56.45 2k77 n LEU 142 Cb 0.39 -0.43 0.00 0.00 -0.00 0.00 0.00 43.42 43.38 2k77 n LEU 142 CO 0.30 -0.28 0.00 0.61 -0.00 0.00 0.00 177.39 178.01 2k77 n GLY 143 N -0.47 0.00 0.08 1.47 0.00 -1.19 -5.04 105.19 100.05 2k77 n GLY 143 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 2k77 n GLY 143 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2k77 h SER 144 N 0.00 0.00 0.00 1.61 0.87 -1.45 -3.52 113.55 111.06 2k77 h SER 144 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k77 h SER 144 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2k77 h SER 144 CO 0.00 0.89 0.00 -3.20 -0.53 0.00 0.00 176.83 173.99