#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 1.38 -0.02 2.12 0.00 -1.26 -5.14 119.30 116.38 2k77 s MET 2 Ca 0.00 -1.09 -0.10 0.00 0.00 0.00 0.00 55.69 54.50 2k77 s MET 2 Cb 0.00 0.46 -0.05 0.00 0.00 0.00 0.00 34.83 35.24 2k77 s MET 2 CO 0.00 -0.56 0.31 -0.59 0.00 0.00 0.00 175.02 174.18 2k77 s PHE 3 N -3.95 3.64 -2.38 3.16 -0.12 -1.26 -5.02 117.98 112.05 2k77 s PHE 3 Ca 0.16 0.76 0.25 0.00 -0.05 0.00 0.00 56.93 58.05 2k77 s PHE 3 Cb 0.00 -2.12 0.41 0.00 -0.63 0.00 0.00 43.02 40.68 2k77 s PHE 3 CO 0.02 0.65 1.36 0.41 -0.05 0.00 0.00 175.22 177.61 2k77 n GLY 4 N 1.59 0.21 3.75 1.99 0.00 -1.26 -4.92 105.19 106.55 2k77 n GLY 4 Ca -0.14 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 2k77 n GLY 4 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k77 s ARG 5 N -2.24 4.63 0.10 1.61 3.52 -1.26 -5.01 118.95 120.31 2k77 s ARG 5 Ca 0.26 1.26 0.06 0.00 -0.13 0.00 0.00 55.73 57.19 2k77 s ARG 5 Cb 0.19 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 2k77 s ARG 5 CO 0.43 0.40 -0.04 -0.06 -0.81 0.00 0.00 175.30 175.22 2k77 s PHE 6 N -0.58 2.88 1.01 5.12 0.40 -1.26 -0.83 117.98 124.72 2k77 s PHE 6 Ca 0.40 -0.08 -0.12 0.00 -0.60 0.00 0.00 56.93 56.53 2k77 s PHE 6 Cb -0.23 -1.49 0.20 0.00 0.51 0.00 0.00 43.02 42.01 2k77 s PHE 6 CO 0.27 0.46 1.08 0.95 0.70 0.00 0.00 175.22 178.69 2k77 s THR 7 N -1.31 2.22 0.40 0.64 -4.23 0.02 -4.68 115.64 108.70 2k77 s THR 7 Ca 0.24 0.07 0.10 0.00 -1.18 0.00 0.00 61.69 60.92 2k77 s THR 7 Cb -0.11 -2.24 0.19 0.00 1.34 0.00 0.00 72.50 71.68 2k77 s THR 7 CO 0.17 -0.09 1.96 -0.33 -0.54 0.00 0.00 174.62 175.78 2k77 h GLU 8 N -2.08 0.25 -0.06 3.99 4.39 -1.99 0.60 114.58 119.68 2k77 h GLU 8 Ca -0.52 -0.05 -0.20 0.00 0.34 0.00 0.00 59.36 58.93 2k77 h GLU 8 Cb 1.30 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2k77 h GLU 8 CO 0.49 0.33 -0.81 0.00 -1.16 0.00 0.00 179.01 177.86 2k77 h ARG 9 N 0.25 0.47 -0.41 2.33 3.08 -1.96 -2.56 114.38 115.57 2k77 h ARG 9 Ca 0.05 -0.42 -0.13 0.00 0.07 0.00 0.00 59.98 59.55 2k77 h ARG 9 Cb 0.27 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2k77 h ARG 9 CO 0.01 1.06 -0.26 0.00 -1.07 0.00 0.00 179.97 179.71 2k77 h ALA 10 N 0.81 0.58 -0.95 0.04 0.00 -1.68 -1.42 119.26 116.64 2k77 h ALA 10 Ca -0.05 -0.40 0.07 0.00 0.00 0.00 0.00 54.91 54.52 2k77 h ALA 10 Cb 1.41 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 2k77 h ALA 10 CO 0.14 0.60 0.60 1.96 0.00 0.00 0.00 179.25 182.55 2k77 h GLN 11 N 0.72 1.06 -0.71 0.00 4.20 -0.98 -2.00 115.11 117.39 2k77 h GLN 11 Ca 0.08 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 2k77 h GLN 11 Cb 0.84 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 2k77 h GLN 11 CO 0.07 0.70 0.22 -0.22 -0.67 0.00 0.00 178.83 178.93 2k77 h LYS 12 N 1.09 1.11 -0.52 1.46 3.64 -1.02 -0.05 116.57 122.29 2k77 h LYS 12 Ca 0.41 -0.24 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 2k77 h LYS 12 Cb 0.18 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2k77 h LYS 12 CO -0.18 0.96 0.02 -0.39 -2.27 0.00 0.00 179.45 177.59 2k77 h VAL 13 N 1.06 1.25 -0.01 2.00 -1.51 -0.82 -0.77 116.25 117.44 2k77 h VAL 13 Ca 0.23 -1.02 -0.16 0.00 -1.23 0.00 0.00 66.70 64.52 2k77 h VAL 13 Cb 0.31 0.83 -0.02 0.00 -2.13 0.00 0.00 31.29 30.28 2k77 h VAL 13 CO -0.01 0.37 -0.72 -0.07 -1.23 0.00 0.00 177.57 175.90 2k77 h LEU 14 N 0.81 0.09 -0.46 4.19 3.38 -1.13 0.47 115.31 122.66 2k77 h LEU 14 Ca 0.16 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 2k77 h LEU 14 Cb 0.46 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2k77 h LEU 14 CO 0.02 0.78 -0.15 0.00 0.09 0.00 0.00 178.44 179.18 2k77 h ALA 15 N 1.21 0.64 -0.24 1.53 0.00 -0.86 -2.87 119.26 118.68 2k77 h ALA 15 Ca -0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 2k77 h ALA 15 Cb 1.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2k77 h ALA 15 CO 0.10 0.58 -0.28 -0.07 0.00 0.00 0.00 179.25 179.58 2k77 h LEU 16 N 0.76 0.47 -1.37 0.00 3.38 -1.01 -2.97 115.31 114.57 2k77 h LEU 16 Ca 0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2k77 h LEU 16 Cb 0.71 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2k77 h LEU 16 CO 0.05 0.73 0.37 0.00 0.09 0.00 0.00 178.44 179.69 2k77 h ALA 17 N 1.30 1.53 -0.30 1.53 0.00 -0.80 0.56 119.26 123.08 2k77 h ALA 17 Ca 0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2k77 h ALA 17 Cb 0.69 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2k77 h ALA 17 CO 0.05 0.42 -0.02 0.37 0.00 0.00 0.00 179.25 180.07 2k77 h GLN 18 N 0.81 0.55 -0.22 0.00 4.15 -1.36 -1.03 115.11 118.01 2k77 h GLN 18 Ca 0.22 -0.19 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 2k77 h GLN 18 Cb -0.05 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 2k77 h GLN 18 CO -0.04 0.71 -0.14 1.49 -1.93 0.00 0.00 178.83 178.92 2k77 h GLU 19 N 0.34 0.49 -0.73 1.69 4.22 -1.30 -1.34 114.58 117.95 2k77 h GLU 19 Ca 0.08 -0.22 0.07 0.00 0.08 0.00 0.00 59.36 59.37 2k77 h GLU 19 Cb 0.47 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 2k77 h GLU 19 CO 0.02 0.78 0.41 0.93 -2.18 0.00 0.00 179.01 178.96 2k77 h GLU 20 N 0.19 0.70 0.49 1.92 4.39 -0.96 0.64 114.58 121.95 2k77 h GLU 20 Ca 0.05 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2k77 h GLU 20 Cb 0.65 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2k77 h GLU 20 CO 0.04 0.46 -0.24 0.00 -1.16 0.00 0.00 179.01 178.12 2k77 h ALA 21 N 1.39 -0.66 -0.82 3.43 0.00 -1.05 -2.21 119.26 119.33 2k77 h ALA 21 Ca 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2k77 h ALA 21 Cb 0.25 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2k77 h ALA 21 CO -0.21 -0.85 0.43 -0.07 0.00 0.00 0.00 179.25 178.54 2k77 h LEU 22 N -0.69 1.05 -0.89 0.00 3.38 -0.93 0.12 115.31 117.34 2k77 h LEU 22 Ca -0.07 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 2k77 h LEU 22 Cb 0.52 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2k77 h LEU 22 CO 0.11 0.86 0.08 -0.09 0.09 0.00 0.00 178.44 179.50 2k77 h ARG 23 N 1.16 0.90 -0.06 1.13 2.43 -0.90 -2.03 114.38 117.02 2k77 h ARG 23 Ca 0.29 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2k77 h ARG 23 Cb 0.07 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2k77 h ARG 23 CO -0.04 0.85 0.00 -0.11 -1.51 0.00 0.00 179.97 179.15 2k77 n LEU 24 N -4.23 0.61 -0.14 3.80 7.94 -0.83 -4.93 117.00 119.21 2k77 n LEU 24 Ca 0.04 -0.26 -0.02 0.00 -1.11 0.00 0.00 56.01 54.66 2k77 n LEU 24 Cb 0.27 -0.04 -0.01 0.00 0.53 0.00 0.00 43.42 44.17 2k77 n LEU 24 CO 0.41 0.13 -0.02 0.61 -1.11 0.00 0.00 177.39 177.41 2k77 n GLY 25 N 0.90 0.54 3.73 -3.96 0.00 -0.71 -1.40 105.19 104.29 2k77 n GLY 25 Ca 0.14 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.98 3.57 -1.39 1.61 3.76 0.33 -2.16 115.29 119.04 2k77 s HIS 26 Ca 0.00 1.09 0.17 0.00 -0.15 0.00 0.00 55.06 56.18 2k77 s HIS 26 Cb 0.00 -2.66 0.53 0.00 1.11 0.00 0.00 32.58 31.56 2k77 s HIS 26 CO 0.00 0.17 1.45 0.09 -0.85 0.00 0.00 174.74 175.60 2k77 n ASN 27 N 3.54 3.71 -3.93 1.40 4.13 -1.26 -2.99 115.26 119.85 2k77 n ASN 27 Ca -0.05 -2.11 -0.14 0.00 1.68 0.00 0.00 54.58 53.96 2k77 n ASN 27 Cb 0.51 -0.41 -0.14 0.00 -1.54 0.00 0.00 39.78 38.20 2k77 n ASN 27 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2k77 s ASN 28 N -1.03 0.36 -0.08 6.41 6.03 -1.26 -3.30 114.94 122.07 2k77 s ASN 28 Ca 0.40 -0.09 -0.28 0.00 -1.03 0.00 0.00 52.86 51.86 2k77 s ASN 28 Cb 0.22 -0.03 -0.02 0.00 -3.03 0.00 0.00 41.25 38.39 2k77 s ASN 28 CO 0.25 0.01 0.91 -0.63 -2.03 0.00 0.00 177.10 175.61 2k77 s ILE 29 N -0.18 4.87 0.48 0.54 1.01 0.03 -4.89 121.20 123.05 2k77 s ILE 29 Ca -0.00 1.87 0.08 0.00 0.00 0.00 0.00 60.65 62.60 2k77 s ILE 29 Cb -0.02 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 38.24 2k77 s ILE 29 CO -0.00 0.09 0.51 -0.83 0.00 0.00 0.00 174.94 174.71 2k77 s GLY 30 N 1.04 2.06 0.33 6.18 0.00 -1.26 -1.45 107.32 114.21 2k77 s GLY 30 Ca 0.46 -1.78 0.05 0.00 0.00 0.00 0.00 44.72 43.44 2k77 s GLY 30 CO 0.20 -1.70 1.89 -0.91 0.00 0.00 0.00 173.10 172.57 2k77 h THR 31 N 0.71 0.94 -0.61 0.90 1.35 -1.92 -1.40 112.91 112.88 2k77 h THR 31 Ca -0.38 -0.29 0.12 0.00 -0.55 0.00 0.00 66.41 65.31 2k77 h THR 31 Cb 1.28 0.01 -0.09 0.00 -1.73 0.00 0.00 68.15 67.62 2k77 h THR 31 CO 0.51 0.16 0.07 1.05 -0.25 0.00 0.00 175.52 177.06 2k77 h GLU 32 N 0.85 0.19 -0.03 4.72 9.09 -1.93 -0.44 114.58 127.03 2k77 h GLU 32 Ca 0.42 -0.01 -0.19 0.00 0.05 0.00 0.00 59.36 59.63 2k77 h GLU 32 Cb 0.47 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.52 2k77 h GLU 32 CO -0.19 0.12 -0.81 0.45 0.05 0.00 0.00 179.01 178.64 2k77 h HIS 33 N 0.19 0.41 -0.65 2.06 3.86 -1.62 -0.48 115.15 118.92 2k77 h HIS 33 Ca 0.32 -0.20 -0.05 0.00 -1.16 0.00 0.00 60.37 59.28 2k77 h HIS 33 Cb 0.50 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.89 2k77 h HIS 33 CO -0.30 0.98 0.20 0.82 0.86 0.00 0.00 177.93 180.49 2k77 h ILE 34 N 0.18 1.25 -0.37 2.45 2.04 -1.20 0.01 117.51 121.87 2k77 h ILE 34 Ca -0.04 -0.87 -0.06 0.00 1.00 0.00 0.00 64.86 64.89 2k77 h ILE 34 Cb 1.41 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 2k77 h ILE 34 CO 0.13 0.33 -0.00 0.25 0.00 0.00 0.00 178.15 178.86 2k77 h LEU 35 N 0.94 0.65 -0.62 1.44 5.85 -0.90 -0.88 115.31 121.79 2k77 h LEU 35 Ca 0.21 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 58.69 2k77 h LEU 35 Cb 0.30 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 2k77 h LEU 35 CO -0.01 0.80 0.30 -0.07 -0.34 0.00 0.00 178.44 179.12 2k77 h LEU 36 N 0.48 0.39 -0.63 2.25 4.07 -0.99 -1.39 115.31 119.49 2k77 h LEU 36 Ca 0.11 0.05 0.05 0.00 0.08 0.00 0.00 57.88 58.17 2k77 h LEU 36 Cb 0.47 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.14 2k77 h LEU 36 CO 0.02 0.25 0.34 1.23 -1.08 0.00 0.00 178.44 179.20 2k77 h GLY 37 N 0.54 0.91 0.87 0.83 0.00 -0.74 -0.53 103.07 104.96 2k77 h GLY 37 Ca 0.29 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 2k77 h GLY 37 CO -0.23 0.15 -0.33 1.41 0.00 0.00 0.00 176.54 177.54 2k77 h LEU 38 N 0.64 -0.82 -1.00 3.11 3.38 -0.53 -1.62 115.31 118.47 2k77 h LEU 38 Ca 0.28 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.24 2k77 h LEU 38 Cb 0.17 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2k77 h LEU 38 CO -0.18 -0.52 -0.27 -0.37 0.09 0.00 0.00 178.44 177.20 2k77 h VAL 39 N -0.82 0.64 0.00 1.22 -1.51 -1.18 -1.13 116.25 113.47 2k77 h VAL 39 Ca -0.06 -1.27 -0.12 0.00 -1.23 0.00 0.00 66.70 64.02 2k77 h VAL 39 Cb 0.67 1.84 -0.02 0.00 -2.13 0.00 0.00 31.29 31.65 2k77 h VAL 39 CO 0.07 0.26 -0.59 -0.09 -1.23 0.00 0.00 177.57 175.99 2k77 h ARG 40 N 0.00 0.00 0.12 5.19 2.43 -1.08 -3.22 114.38 117.82 2k77 h ARG 40 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2k77 h ARG 40 Cb 0.82 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 2k77 h ARG 40 CO 0.04 0.59 -0.06 1.49 -1.51 0.00 0.00 179.97 180.51 2k77 h GLU 41 N 0.00 -0.16 0.00 0.20 4.22 -0.82 -3.48 114.58 114.55 2k77 h GLU 41 Ca -0.01 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2k77 h GLU 41 Cb 1.14 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2k77 h GLU 41 CO 0.08 0.28 0.00 0.41 -2.18 0.00 0.00 179.01 177.59 2k77 n GLY 42 N 0.21 1.85 0.09 1.92 0.00 -0.47 -4.72 105.19 104.06 2k77 n GLY 42 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.90 0.93 -1.20 1.61 2.13 -1.26 -4.36 120.64 116.60 2k77 n GLU 43 Ca 0.00 0.06 -0.34 0.00 0.66 0.00 0.00 57.16 57.53 2k77 n GLU 43 Cb 0.00 -1.41 0.11 0.00 0.27 0.00 0.00 31.44 30.41 2k77 n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k77 n GLY 44 N 2.28 -0.40 0.29 8.31 0.00 -1.26 -4.59 105.19 109.82 2k77 n GLY 44 Ca -0.31 -0.44 0.06 0.00 0.00 0.00 0.00 46.02 45.33 2k77 n GLY 44 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2k77 h ILE 45 N -0.66 0.68 -0.31 -0.61 1.08 -1.95 -0.32 117.51 115.43 2k77 h ILE 45 Ca -0.46 -0.18 -0.04 0.00 -0.39 0.00 0.00 64.86 63.78 2k77 h ILE 45 Cb 1.31 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 2k77 h ILE 45 CO 0.45 0.10 0.03 0.00 -0.69 0.00 0.00 178.15 178.04 2k77 h ALA 46 N 1.56 0.41 -0.39 1.87 0.00 -1.90 0.53 119.26 121.35 2k77 h ALA 46 Ca 0.44 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 2k77 h ALA 46 Cb 0.66 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2k77 h ALA 46 CO -0.39 0.14 -0.12 0.00 0.00 0.00 0.00 179.25 178.88 2k77 h ALA 47 N 0.86 1.07 -0.24 0.00 0.00 -1.61 -0.48 119.26 118.86 2k77 h ALA 47 Ca 0.09 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 2k77 h ALA 47 Cb 0.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2k77 h ALA 47 CO 0.01 0.57 -0.32 -0.22 0.00 0.00 0.00 179.25 179.29 2k77 h LYS 48 N 0.62 0.51 -0.48 0.00 1.63 -1.00 -1.83 116.57 116.01 2k77 h LYS 48 Ca 0.11 -0.22 -0.12 0.00 -0.85 0.00 0.00 60.65 59.57 2k77 h LYS 48 Cb 0.57 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 2k77 h LYS 48 CO 0.04 0.77 -0.15 0.00 -3.45 0.00 0.00 179.45 176.65 2k77 h ALA 49 N 1.22 0.67 -0.32 5.00 0.00 -0.49 0.50 119.26 125.84 2k77 h ALA 49 Ca 0.05 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2k77 h ALA 49 Cb 0.77 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2k77 h ALA 49 CO 0.06 0.60 0.21 -0.07 0.00 0.00 0.00 179.25 180.05 2k77 h LEU 50 N 0.80 0.35 -1.02 0.00 3.38 -1.00 -1.42 115.31 116.40 2k77 h LEU 50 Ca 0.12 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 2k77 h LEU 50 Cb 0.71 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2k77 h LEU 50 CO 0.05 0.25 -0.19 1.56 0.09 0.00 0.00 178.44 180.21 2k77 h GLN 51 N 0.42 0.48 -0.22 1.13 4.20 -1.25 -2.45 115.11 117.43 2k77 h GLN 51 Ca 0.12 -0.16 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 2k77 h GLN 51 Cb -0.04 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 2k77 h GLN 51 CO -0.03 0.65 -0.17 0.00 -0.67 0.00 0.00 178.83 178.61 2k77 h ALA 52 N 1.37 1.31 0.00 3.87 0.00 -0.62 -1.83 119.26 123.36 2k77 h ALA 52 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2k77 h ALA 52 Cb 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2k77 h ALA 52 CO 0.04 0.46 0.00 1.28 0.00 0.00 0.00 179.25 181.03 2k77 n LEU 53 N -4.20 0.00 0.00 0.00 4.77 -0.56 -4.87 117.00 112.15 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 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 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 0.25 0.72 2.36 -0.72 0.00 -0.69 -4.97 105.19 102.14 2k77 n GLY 54 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 2k77 n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k77 n LEU 55 N 0.00 0.00 -3.47 0.99 4.77 -0.95 -5.00 117.00 113.34 2k77 n LEU 55 Ca 0.00 -1.04 -0.11 0.00 -0.03 0.00 0.00 56.01 54.83 2k77 n LEU 55 Cb 0.00 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.53 2k77 n LEU 55 CO 0.00 -0.97 0.55 -0.83 -1.33 0.00 0.00 177.39 174.81 2k77 s GLY 56 N -4.49 -0.53 0.12 -0.72 0.00 -1.26 -4.34 107.32 96.09 2k77 s GLY 56 Ca 0.44 0.85 -0.21 0.00 0.00 0.00 0.00 44.72 45.80 2k77 s GLY 56 CO 0.30 0.33 1.73 1.48 0.00 0.00 0.00 173.10 176.94 2k77 h SER 57 N 2.09 -0.04 -0.69 1.64 4.64 -1.98 -2.21 113.55 117.01 2k77 h SER 57 Ca -0.28 0.03 0.08 0.00 -0.47 0.00 0.00 61.79 61.16 2k77 h SER 57 Cb 1.26 0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 63.34 2k77 h SER 57 CO 0.35 -0.00 0.35 -0.08 -0.87 0.00 0.00 176.83 176.57 2k77 h GLU 58 N 0.06 0.59 -0.24 4.77 4.81 -1.98 -0.49 114.58 122.09 2k77 h GLU 58 Ca 0.07 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 2k77 h GLU 58 Cb 0.08 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 2k77 h GLU 58 CO -0.11 0.39 -0.23 0.87 -0.73 0.00 0.00 179.01 179.20 2k77 h LYS 59 N 0.60 0.58 -0.25 1.92 1.79 -1.88 -0.98 116.57 118.36 2k77 h LYS 59 Ca 0.33 -0.30 -0.05 0.00 -2.18 0.00 0.00 60.65 58.44 2k77 h LYS 59 Cb 0.32 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 2k77 h LYS 59 CO -0.25 0.89 -0.05 0.82 -1.08 0.00 0.00 179.45 179.78 2k77 h ILE 60 N 0.29 1.28 -0.49 1.86 2.04 -1.28 -2.42 117.51 118.78 2k77 h ILE 60 Ca 0.04 -1.05 -0.09 0.00 1.00 0.00 0.00 64.86 64.76 2k77 h ILE 60 Cb 0.78 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 2k77 h ILE 60 CO 0.06 0.33 -0.04 1.56 0.00 0.00 0.00 178.15 180.05 2k77 h GLN 61 N 0.21 0.90 -0.69 2.37 4.20 -1.04 -1.68 115.11 119.38 2k77 h GLN 61 Ca 0.06 -0.31 -0.06 0.00 0.06 0.00 0.00 58.65 58.40 2k77 h GLN 61 Cb 0.52 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 2k77 h GLN 61 CO 0.02 0.96 0.19 0.87 -0.67 0.00 0.00 178.83 180.20 2k77 h LYS 62 N 0.76 1.09 -0.42 1.46 1.57 -1.23 -0.79 116.57 119.02 2k77 h LYS 62 Ca 0.13 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.57 2k77 h LYS 62 Cb 0.58 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2k77 h LYS 62 CO 0.03 0.95 -0.16 0.93 -0.57 0.00 0.00 179.45 180.64 2k77 h GLU 63 N 1.04 0.78 0.37 3.15 4.39 -1.25 -0.53 114.58 122.53 2k77 h GLU 63 Ca 0.22 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 2k77 h GLU 63 Cb 0.34 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2k77 h GLU 63 CO -0.00 0.89 -0.18 0.28 -1.16 0.00 0.00 179.01 178.84 2k77 h VAL 64 N 0.69 0.64 -0.37 3.13 2.07 -1.13 -2.93 116.25 118.36 2k77 h VAL 64 Ca 0.11 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2k77 h VAL 64 Cb 0.65 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2k77 h VAL 64 CO 0.05 0.03 0.21 -0.33 0.02 0.00 0.00 177.57 177.54 2k77 h GLU 65 N -0.57 0.50 -0.08 1.57 5.08 -1.01 -0.83 114.58 119.25 2k77 h GLU 65 Ca -0.05 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 2k77 h GLU 65 Cb 0.42 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2k77 h GLU 65 CO 0.08 0.36 -0.20 1.03 -1.00 0.00 0.00 179.01 179.28 2k77 h SER 66 N 0.51 0.12 0.25 1.42 0.87 -1.09 -1.00 113.55 114.63 2k77 h SER 66 Ca 0.13 -0.03 -0.34 0.00 -1.23 0.00 0.00 61.79 60.33 2k77 h SER 66 Cb 0.00 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2k77 h SER 66 CO -0.02 0.33 -1.79 -0.07 -0.53 0.00 0.00 176.83 174.75 2k77 h LEU 67 N 0.12 0.44 0.00 2.23 3.38 -1.03 -3.42 115.31 117.03 2k77 h LEU 67 Ca 0.02 -0.77 -0.15 0.00 0.09 0.00 0.00 57.88 57.07 2k77 h LEU 67 Cb 0.43 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2k77 h LEU 67 CO 0.03 1.66 -1.88 2.30 0.09 0.00 0.00 178.44 180.64 2k77 n ILE 68 N -3.47 0.56 -4.48 1.22 -5.35 -0.44 -5.12 119.36 102.29 2k77 n ILE 68 Ca -0.25 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 61.73 2k77 n ILE 68 Cb 1.06 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.68 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 1.88 0.65 3.77 3.28 0.00 -0.38 -4.67 105.19 109.71 2k77 n GLY 69 Ca -0.15 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 2k77 n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k77 s ARG 70 N 0.00 4.37 0.37 1.61 0.52 -1.26 -4.96 118.95 119.59 2k77 s ARG 70 Ca 0.00 1.91 -0.06 0.00 -0.52 0.00 0.00 55.73 57.06 2k77 s ARG 70 Cb 0.00 -2.98 0.08 0.00 0.52 0.00 0.00 34.95 32.58 2k77 s ARG 70 CO 0.00 -0.07 0.49 0.41 0.02 0.00 0.00 175.30 176.16 2k77 n GLY 71 N 0.88 -1.30 2.88 -3.53 0.00 -0.49 -4.93 105.19 98.69 2k77 n GLY 71 Ca 0.01 -1.68 -0.37 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.07 1.94 -2.02 1.61 0.00 -1.19 -4.71 117.38 110.95 2k77 n GLN 72 Ca 0.06 -1.86 -0.42 0.00 0.00 0.00 0.00 57.00 54.78 2k77 n GLN 72 Cb 0.22 -2.84 -0.03 0.00 0.00 0.00 0.00 30.24 27.59 2k77 n GLN 72 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2k77 s GLU 73 N 4.20 3.25 0.00 2.61 2.12 -0.92 -4.26 118.70 125.71 2k77 s GLU 73 Ca 0.52 1.30 0.00 0.00 0.36 0.00 0.00 54.97 57.15 2k77 s GLU 73 Cb 0.13 -4.21 0.00 0.00 0.26 0.00 0.00 34.13 30.31 2k77 s GLU 73 CO 0.04 -1.96 0.16 -1.33 -0.54 0.00 0.00 175.26 171.63 2k77 n MET 74 N 8.50 -0.12 -2.14 4.30 2.81 -1.26 -5.04 117.12 124.17 2k77 n MET 74 Ca 0.22 -0.17 -0.17 0.00 -1.81 0.00 0.00 57.70 55.78 2k77 n MET 74 Cb 0.48 -0.60 -0.03 0.00 -0.71 0.00 0.00 33.22 32.36 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 -0.01 -4.77 -4.83 7.83 7.64 -1.26 -5.00 113.62 113.22 2k77 n SER 75 Ca 0.00 0.19 -0.33 0.00 1.01 0.00 0.00 58.87 59.74 2k77 n SER 75 Cb 0.23 -4.09 -0.06 0.00 -1.01 0.00 0.00 64.21 59.27 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 -4.54 4.12 0.48 1.43 0.74 -1.26 -5.07 119.66 115.56 2k77 s GLN 76 Ca 0.00 0.93 -0.24 0.00 0.05 0.00 0.00 55.36 56.11 2k77 s GLN 76 Cb 0.00 -2.27 -0.07 0.00 1.10 0.00 0.00 33.01 31.78 2k77 s GLN 76 CO 0.00 0.01 1.38 0.99 -0.55 0.00 0.00 175.29 177.12 2k77 s THR 77 N -2.16 2.16 0.27 -0.34 2.01 -1.26 -4.82 115.64 111.50 2k77 s THR 77 Ca 0.59 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 62.43 2k77 s THR 77 Cb -0.10 -3.07 -0.10 0.00 0.01 0.00 0.00 72.50 69.24 2k77 s THR 77 CO 0.17 0.01 1.36 -0.63 -0.69 0.00 0.00 174.62 174.84 2k77 s ILE 78 N -1.26 2.79 0.23 1.82 -1.09 -1.26 -4.90 121.20 117.52 2k77 s ILE 78 Ca 0.65 0.71 0.11 0.00 -2.23 0.00 0.00 60.65 59.88 2k77 s ILE 78 Cb -0.41 -3.45 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 2k77 s ILE 78 CO 0.51 0.13 -0.15 -1.00 -1.23 0.00 0.00 174.94 173.21 2k77 s HIS 79 N -0.42 2.45 -0.11 3.97 3.76 -1.21 -5.00 115.29 118.74 2k77 s HIS 79 Ca 0.55 -0.29 -0.14 0.00 -0.15 0.00 0.00 55.06 55.03 2k77 s HIS 79 Cb -0.40 -1.14 -0.05 0.00 1.11 0.00 0.00 32.58 32.10 2k77 s HIS 79 CO 0.46 0.59 0.32 0.71 -0.85 0.00 0.00 174.74 175.97 2k77 s TYR 80 N -2.03 3.55 0.84 1.40 1.51 -1.26 -0.79 117.35 120.56 2k77 s TYR 80 Ca 0.26 0.71 -0.10 0.00 -1.01 0.00 0.00 57.07 56.93 2k77 s TYR 80 Cb -0.07 -2.30 0.10 0.00 -0.11 0.00 0.00 41.96 39.58 2k77 s TYR 80 CO 0.14 0.40 1.12 0.95 -1.11 0.00 0.00 175.55 177.05 2k77 s THR 81 N -0.10 2.76 0.42 -0.71 -4.23 -0.53 -4.77 115.64 108.48 2k77 s THR 81 Ca 0.19 0.25 0.12 0.00 -1.18 0.00 0.00 61.69 61.07 2k77 s THR 81 Cb -0.14 -2.53 0.32 0.00 1.34 0.00 0.00 72.50 71.49 2k77 s THR 81 CO 0.07 -0.32 1.97 -0.65 -0.54 0.00 0.00 174.62 175.14 2k77 h PRO 82 N -1.47 0.47 0.07 3.99 0.11 -1.99 0.80 132.00 133.98 2k77 h PRO 82 Ca -0.43 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 2k77 h PRO 82 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2k77 h PRO 82 CO 0.47 0.31 -0.03 0.00 -0.21 0.00 0.00 178.00 178.54 2k77 h ARG 83 N 0.49 -0.09 -0.44 1.05 2.47 -1.93 -1.37 114.38 114.56 2k77 h ARG 83 Ca 0.30 0.01 -0.12 0.00 -1.26 0.00 0.00 59.98 58.90 2k77 h ARG 83 Cb 0.51 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.84 2k77 h ARG 83 CO -0.09 0.10 -0.19 0.00 0.56 0.00 0.00 179.97 180.35 2k77 h ALA 84 N 0.64 0.82 -0.63 0.04 0.00 -1.69 -1.84 119.26 116.60 2k77 h ALA 84 Ca -0.01 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.55 2k77 h ALA 84 Cb 0.24 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2k77 h ALA 84 CO 0.02 0.65 0.41 -0.22 0.00 0.00 0.00 179.25 180.10 2k77 h LYS 85 N 0.76 0.79 -0.66 0.00 3.64 -0.84 -0.05 116.57 120.22 2k77 h LYS 85 Ca 0.11 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 2k77 h LYS 85 Cb 0.73 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 2k77 h LYS 85 CO 0.06 0.52 0.10 -0.22 -2.27 0.00 0.00 179.45 177.64 2k77 h LYS 86 N 0.82 1.10 -0.32 1.90 3.64 -1.09 -1.18 116.57 121.43 2k77 h LYS 86 Ca 0.24 -0.30 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2k77 h LYS 86 Cb -0.04 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 2k77 h LYS 86 CO -0.08 1.01 0.15 0.28 -2.27 0.00 0.00 179.45 178.55 2k77 h VAL 87 N 1.02 0.98 -0.56 2.00 2.07 -0.98 -0.63 116.25 120.15 2k77 h VAL 87 Ca 0.20 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 2k77 h VAL 87 Cb 0.45 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2k77 h VAL 87 CO 0.01 0.06 0.28 0.40 0.02 0.00 0.00 177.57 178.34 2k77 h ILE 88 N 0.32 1.20 -0.62 4.57 1.08 -0.66 0.16 117.51 123.57 2k77 h ILE 88 Ca 0.13 -0.56 -0.07 0.00 -0.39 0.00 0.00 64.86 63.98 2k77 h ILE 88 Cb 0.05 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.31 2k77 h ILE 88 CO -0.10 0.23 0.11 -0.33 -0.69 0.00 0.00 178.15 177.37 2k77 h GLU 89 N 0.76 1.01 0.00 2.37 5.08 -1.15 -2.84 114.58 119.82 2k77 h GLU 89 Ca 0.20 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 2k77 h GLU 89 Cb 0.10 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2k77 h GLU 89 CO -0.03 0.94 -0.39 -0.07 -1.00 0.00 0.00 179.01 178.46 2k77 h LEU 90 N 0.92 0.00 -0.28 1.33 3.38 -0.78 -1.81 115.31 118.07 2k77 h LEU 90 Ca 0.19 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 2k77 h LEU 90 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2k77 h LEU 90 CO 0.01 0.39 0.03 0.28 0.09 0.00 0.00 178.44 179.24 2k77 h SER 91 N 0.00 0.46 0.53 -0.43 0.02 -0.46 0.21 113.55 113.88 2k77 h SER 91 Ca -0.00 -0.28 -0.13 0.00 -0.84 0.00 0.00 61.79 60.54 2k77 h SER 91 Cb 0.74 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 2k77 h SER 91 CO 0.05 0.62 -0.58 0.00 -1.14 0.00 0.00 176.83 175.78 2k77 h MET 92 N 0.29 0.06 -0.28 3.45 -0.00 -1.48 -2.21 114.93 114.76 2k77 h MET 92 Ca 0.08 -0.04 -0.06 0.00 -0.00 0.00 0.00 59.70 59.69 2k77 h MET 92 Cb 0.37 0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 31.96 2k77 h MET 92 CO 0.01 0.62 -0.05 0.22 -0.00 0.00 0.00 176.91 177.71 2k77 h ASP 93 N 0.04 0.53 -0.56 -0.10 3.58 -1.12 -0.28 116.42 118.50 2k77 h ASP 93 Ca -0.01 -0.35 -0.06 0.00 0.42 0.00 0.00 57.03 57.03 2k77 h ASP 93 Cb 1.05 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.93 2k77 h ASP 93 CO 0.08 0.76 0.12 -0.33 -2.88 0.00 0.00 179.24 176.98 2k77 h GLU 94 N 0.29 0.95 -0.61 0.28 4.39 -0.96 -0.21 114.58 118.72 2k77 h GLU 94 Ca 0.07 -0.22 -0.06 0.00 0.34 0.00 0.00 59.36 59.49 2k77 h GLU 94 Cb 0.51 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 2k77 h GLU 94 CO 0.02 0.87 0.15 0.00 -1.16 0.00 0.00 179.01 178.89 2k77 h ALA 95 N 1.22 0.80 -0.65 3.43 0.00 -1.36 -2.43 119.26 120.27 2k77 h ALA 95 Ca 0.19 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2k77 h ALA 95 Cb 0.36 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2k77 h ALA 95 CO 0.00 0.51 0.08 -0.09 0.00 0.00 0.00 179.25 179.75 2k77 h ARG 96 N 0.88 1.09 0.00 0.00 2.43 -0.70 -1.86 114.38 116.22 2k77 h ARG 96 Ca 0.19 -0.30 -0.05 0.00 -0.81 0.00 0.00 59.98 59.01 2k77 h ARG 96 Cb 0.35 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2k77 h ARG 96 CO 0.00 1.01 -0.23 0.87 -1.51 0.00 0.00 179.97 180.11 2k77 h LYS 97 N 1.01 0.00 0.00 0.20 1.57 -0.99 -1.23 116.57 117.14 2k77 h LYS 97 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2k77 h LYS 97 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2k77 h LYS 97 CO 0.02 0.23 0.00 1.28 -0.57 0.00 0.00 179.45 180.41 2k77 n LEU 98 N -4.10 0.00 -0.85 2.94 4.32 -0.92 -4.94 117.00 113.45 2k77 n LEU 98 Ca -0.02 0.24 -0.09 0.00 -0.02 0.00 0.00 56.01 56.11 2k77 n LEU 98 Cb 0.30 -0.24 -0.03 0.00 -1.62 0.00 0.00 43.42 41.84 2k77 n LEU 98 CO 0.36 -0.02 -0.10 0.61 -1.22 0.00 0.00 177.39 177.02 2k77 n GLY 99 N 1.04 0.70 3.81 -0.72 0.00 -0.46 -5.04 105.19 104.52 2k77 n GLY 99 Ca 0.15 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 2k77 n GLY 99 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k77 s HIS 100 N -2.39 1.30 -0.16 1.61 5.04 -0.73 -5.02 115.29 114.93 2k77 s HIS 100 Ca 0.00 0.41 0.10 0.00 -1.54 0.00 0.00 55.06 54.02 2k77 s HIS 100 Cb 0.00 -3.86 -0.14 0.00 0.04 0.00 0.00 32.58 28.62 2k77 s HIS 100 CO 0.00 -3.03 0.28 0.43 -2.34 0.00 0.00 174.74 170.08 2k77 n SER 101 N -4.08 1.99 -3.54 9.88 7.64 -1.26 -4.78 113.62 119.46 2k77 n SER 101 Ca 0.14 -0.24 -0.12 0.00 1.01 0.00 0.00 58.87 59.66 2k77 n SER 101 Cb 0.59 1.30 -0.04 0.00 -1.01 0.00 0.00 64.21 65.06 2k77 n SER 101 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2k77 s TYR 102 N -2.42 -0.38 -0.41 1.43 -0.85 -1.26 -4.79 117.35 108.67 2k77 s TYR 102 Ca -0.01 0.17 -0.27 0.00 -0.52 0.00 0.00 57.07 56.43 2k77 s TYR 102 Cb 0.07 0.39 0.02 0.00 0.38 0.00 0.00 41.96 42.82 2k77 s TYR 102 CO 0.40 -0.75 0.99 0.08 -1.52 0.00 0.00 175.55 174.75 2k77 s VAL 103 N -3.54 4.46 0.82 -3.49 1.01 -0.01 -4.85 120.40 114.80 2k77 s VAL 103 Ca 0.01 1.16 -0.11 0.00 0.00 0.00 0.00 61.98 63.04 2k77 s VAL 103 Cb 0.00 -4.43 0.11 0.00 0.00 0.00 0.00 36.38 32.07 2k77 s VAL 103 CO -0.11 -0.71 1.17 -0.83 0.00 0.00 0.00 175.10 174.62 2k77 s GLY 104 N 2.07 1.68 0.27 4.51 0.00 -1.26 -0.80 107.32 113.79 2k77 s GLY 104 Ca 0.41 -0.94 -0.03 0.00 0.00 0.00 0.00 44.72 44.16 2k77 s GLY 104 CO 0.23 -0.39 1.90 -0.91 0.00 0.00 0.00 173.10 173.93 2k77 h THR 105 N -1.08 1.13 -0.44 0.90 1.35 -1.93 -1.85 112.91 110.98 2k77 h THR 105 Ca -0.45 -0.41 0.08 0.00 -0.55 0.00 0.00 66.41 65.08 2k77 h THR 105 Cb 1.30 -0.19 -0.10 0.00 -1.73 0.00 0.00 68.15 67.43 2k77 h THR 105 CO 0.55 0.22 -0.34 1.05 -0.25 0.00 0.00 175.52 176.75 2k77 h GLU 106 N 1.21 -0.23 0.00 4.72 9.09 -1.94 -2.20 114.58 125.22 2k77 h GLU 106 Ca 0.41 0.02 -0.09 0.00 0.05 0.00 0.00 59.36 59.75 2k77 h GLU 106 Cb 0.09 0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.23 2k77 h GLU 106 CO -0.15 -0.16 -0.41 0.45 0.05 0.00 0.00 179.01 178.79 2k77 h HIS 107 N -0.24 0.00 -0.33 2.06 3.86 -1.74 -1.42 115.15 117.34 2k77 h HIS 107 Ca 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2k77 h HIS 107 Cb 0.55 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 2k77 h HIS 107 CO -0.57 0.41 0.21 0.82 0.86 0.00 0.00 177.93 179.66 2k77 h ILE 108 N 0.00 1.10 -0.40 2.45 2.04 -0.88 -0.78 117.51 121.04 2k77 h ILE 108 Ca -0.00 -0.20 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 2k77 h ILE 108 Cb 0.78 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 2k77 h ILE 108 CO 0.05 0.09 -0.16 0.25 0.00 0.00 0.00 178.15 178.39 2k77 h LEU 109 N 0.44 0.74 -1.40 1.44 5.85 -0.84 -0.26 115.31 121.27 2k77 h LEU 109 Ca 0.12 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.62 2k77 h LEU 109 Cb -0.03 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 2k77 h LEU 109 CO -0.02 0.90 0.42 -0.07 -0.34 0.00 0.00 178.44 179.33 2k77 h LEU 110 N 0.66 0.69 -0.20 2.25 3.38 -1.12 -1.72 115.31 119.25 2k77 h LEU 110 Ca 0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2k77 h LEU 110 Cb 0.64 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2k77 h LEU 110 CO 0.05 0.49 0.04 1.23 0.09 0.00 0.00 178.44 180.34 2k77 h GLY 111 N 0.81 0.34 0.92 0.83 0.00 -0.39 -1.97 103.07 103.62 2k77 h GLY 111 Ca 0.24 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.37 2k77 h GLY 111 CO -0.06 0.20 0.38 1.41 0.00 0.00 0.00 176.54 178.47 2k77 h LEU 112 N 0.13 0.63 -0.17 3.11 3.38 -0.63 -1.66 115.31 120.10 2k77 h LEU 112 Ca 0.06 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 2k77 h LEU 112 Cb 0.28 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2k77 h LEU 112 CO 0.00 0.45 -0.41 0.16 0.09 0.00 0.00 178.44 178.73 2k77 h ILE 113 N 0.76 1.34 0.00 1.22 3.07 -1.39 -3.33 117.51 119.17 2k77 h ILE 113 Ca 0.23 -1.66 -0.06 0.00 1.55 0.00 0.00 64.86 64.92 2k77 h ILE 113 Cb -0.02 1.96 -0.01 0.00 -0.27 0.00 0.00 36.82 38.48 2k77 h ILE 113 CO -0.08 0.51 -0.27 -0.09 -1.05 0.00 0.00 178.15 177.17 2k77 h ARG 114 N 0.23 0.00 -0.36 0.16 9.65 -1.17 -3.01 114.38 119.88 2k77 h ARG 114 Ca -0.00 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.76 2k77 h ARG 114 Cb 1.02 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.59 2k77 h ARG 114 CO 0.09 0.27 -0.24 1.49 2.80 0.00 0.00 179.97 184.38 2k77 h GLU 115 N 0.00 0.79 0.00 0.20 4.22 -1.41 -3.47 114.58 114.91 2k77 h GLU 115 Ca -0.00 -0.37 0.00 0.00 0.08 0.00 0.00 59.36 59.06 2k77 h GLU 115 Cb 0.65 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2k77 h GLU 115 CO 0.04 1.00 0.00 0.41 -2.18 0.00 0.00 179.01 178.28 2k77 n GLY 116 N 0.02 0.53 0.03 1.92 0.00 -1.14 -4.74 105.19 101.81 2k77 n GLY 116 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 2k77 n GLY 116 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k77 n GLU 117 N -2.00 2.61 -1.19 1.61 1.02 -1.26 -4.89 120.64 116.54 2k77 n GLU 117 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 2k77 n GLU 117 Cb 0.00 -1.15 0.11 0.00 -0.02 0.00 0.00 31.44 30.38 2k77 n GLU 117 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k77 s GLY 118 N -3.87 1.91 0.41 0.62 0.00 -1.26 -4.91 107.32 100.22 2k77 s GLY 118 Ca -0.04 0.56 0.13 0.00 0.00 0.00 0.00 44.72 45.38 2k77 s GLY 118 CO 0.23 0.95 1.94 -2.08 0.00 0.00 0.00 173.10 174.14 2k77 h VAL 119 N -1.01 0.86 -0.67 1.40 2.07 -1.96 -2.55 116.25 114.38 2k77 h VAL 119 Ca -0.45 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 66.99 2k77 h VAL 119 Cb 1.26 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 2k77 h VAL 119 CO 0.48 0.09 0.32 0.00 0.02 0.00 0.00 177.57 178.48 2k77 h ALA 120 N 1.65 0.91 -0.38 1.67 0.00 -1.92 -0.16 119.26 121.04 2k77 h ALA 120 Ca 0.34 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 2k77 h ALA 120 Cb 0.68 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2k77 h ALA 120 CO -0.11 -0.07 -0.13 0.00 0.00 0.00 0.00 179.25 178.94 2k77 h ALA 121 N 1.41 1.07 -0.29 0.00 0.00 -1.64 -2.60 119.26 117.21 2k77 h ALA 121 Ca 0.33 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2k77 h ALA 121 Cb 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2k77 h ALA 121 CO -0.26 0.57 0.05 0.00 0.00 0.00 0.00 179.25 179.61 2k77 h ARG 122 N 0.61 0.49 -0.10 0.00 3.08 -1.30 -2.50 114.38 114.66 2k77 h ARG 122 Ca 0.10 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.03 2k77 h ARG 122 Cb 0.57 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2k77 h ARG 122 CO 0.04 0.59 0.03 0.28 -1.07 0.00 0.00 179.97 179.84 2k77 h VAL 123 N 0.31 0.97 -0.64 2.04 2.07 -0.99 -0.71 116.25 119.30 2k77 h VAL 123 Ca 0.09 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.59 2k77 h VAL 123 Cb 0.34 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2k77 h VAL 123 CO 0.01 0.01 0.42 -0.07 0.02 0.00 0.00 177.57 177.96 2k77 h LEU 124 N 0.08 0.72 -1.06 2.57 3.38 -1.47 -1.36 115.31 118.17 2k77 h LEU 124 Ca 0.04 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2k77 h LEU 124 Cb 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2k77 h LEU 124 CO -0.05 0.52 -0.47 0.78 0.09 0.00 0.00 178.44 179.32 2k77 h ASN 125 N 0.85 0.00 0.15 -0.43 2.35 -1.20 0.59 115.58 117.89 2k77 h ASN 125 Ca 0.24 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.83 2k77 h ASN 125 Cb -0.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 2k77 h ASN 125 CO -0.06 0.47 -0.56 0.78 -1.65 0.00 0.00 177.43 176.41 2k77 h ASN 126 N 0.00 0.49 0.48 5.81 2.35 -0.71 -3.27 115.58 120.74 2k77 h ASN 126 Ca -0.00 -0.26 -0.24 0.00 -0.55 0.00 0.00 56.30 55.24 2k77 h ASN 126 Cb 0.84 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.07 2k77 h ASN 126 CO 0.06 0.95 -1.05 -0.07 -1.65 0.00 0.00 177.43 175.67 2k77 h LEU 127 N 0.33 0.45 0.00 1.61 3.38 -0.96 -3.48 115.31 116.65 2k77 h LEU 127 Ca 0.00 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2k77 h LEU 127 Cb 1.09 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2k77 h LEU 127 CO 0.10 1.25 0.00 0.61 0.09 0.00 0.00 178.44 180.48 2k77 n GLY 128 N 1.16 0.28 3.79 0.83 0.00 0.01 -5.10 105.19 106.15 2k77 n GLY 128 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.68 4.25 0.17 1.61 1.01 -0.10 -4.92 120.40 121.74 2k77 s VAL 129 Ca 0.00 1.75 0.03 0.00 0.00 0.00 0.00 61.98 63.76 2k77 s VAL 129 Cb 0.00 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 2k77 s VAL 129 CO 0.00 0.07 -0.04 -0.44 0.00 0.00 0.00 175.10 174.69 2k77 s SER 130 N -1.71 1.53 0.22 3.32 0.01 -1.26 -2.64 113.70 113.18 2k77 s SER 130 Ca 0.52 -1.11 -0.12 0.00 1.31 0.00 0.00 55.95 56.54 2k77 s SER 130 Cb -0.17 0.05 0.30 0.00 0.21 0.00 0.00 66.02 66.40 2k77 s SER 130 CO 0.22 -0.47 1.62 0.25 0.41 0.00 0.00 173.24 175.27 2k77 h LEU 131 N 2.70 -0.60 -0.39 2.44 6.46 -1.97 -0.63 115.31 123.32 2k77 h LEU 131 Ca -0.37 0.21 -0.17 0.00 -0.12 0.00 0.00 57.88 57.43 2k77 h LEU 131 Cb 1.20 0.42 -0.00 0.00 -0.73 0.00 0.00 40.66 41.54 2k77 h LEU 131 CO 0.64 -0.22 -0.50 -1.13 -0.62 0.00 0.00 178.44 176.61 2k77 h ASN 132 N 0.01 0.90 -0.27 1.25 -0.73 -1.98 -0.90 115.58 113.86 2k77 h ASN 132 Ca 0.34 -0.46 -0.03 0.00 1.87 0.00 0.00 56.30 58.03 2k77 h ASN 132 Cb 0.54 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.86 2k77 h ASN 132 CO -0.71 1.23 0.07 0.11 -0.37 0.00 0.00 177.43 177.76 2k77 h LYS 133 N 0.64 0.43 -0.25 6.67 1.57 -1.74 -0.74 116.57 123.14 2k77 h LYS 133 Ca 0.03 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2k77 h LYS 133 Cb 1.08 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 2k77 h LYS 133 CO 0.11 0.52 0.04 0.00 -0.57 0.00 0.00 179.45 179.54 2k77 h ALA 134 N 0.89 0.33 -0.14 3.86 0.00 -1.19 -2.42 119.26 120.59 2k77 h ALA 134 Ca 0.08 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.85 2k77 h ALA 134 Cb 0.28 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 2k77 h ALA 134 CO 0.00 0.02 -0.23 0.00 0.00 0.00 0.00 179.25 179.04 2k77 h ARG 135 N 0.22 -0.27 0.07 0.00 3.08 -1.03 -0.83 114.38 115.60 2k77 h ARG 135 Ca 0.07 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.15 2k77 h ARG 135 Cb 0.34 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2k77 h ARG 135 CO 0.01 -0.18 -0.08 1.96 -1.07 0.00 0.00 179.97 180.60 2k77 h GLN 136 N -0.29 -0.17 -0.23 0.04 4.20 -1.09 0.42 115.11 117.99 2k77 h GLN 136 Ca 0.10 0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.73 2k77 h GLN 136 Cb 0.44 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2k77 h GLN 136 CO -0.30 -0.12 -0.26 1.96 -0.67 0.00 0.00 178.83 179.44 2k77 h GLN 137 N -0.18 0.43 -0.05 1.46 1.08 -1.28 -0.79 115.11 115.78 2k77 h GLN 137 Ca 0.01 -0.16 -0.06 0.00 -1.45 0.00 0.00 58.65 56.99 2k77 h GLN 137 Cb 0.18 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2k77 h GLN 137 CO -0.04 0.66 -0.21 0.28 -0.95 0.00 0.00 178.83 178.58 2k77 h VAL 138 N 0.38 1.45 0.00 -0.54 2.07 -1.00 -0.14 116.25 118.46 2k77 h VAL 138 Ca 0.06 -1.63 -0.03 0.00 0.82 0.00 0.00 66.70 65.92 2k77 h VAL 138 Cb 0.67 2.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.79 2k77 h VAL 138 CO 0.05 0.46 -0.13 -0.07 0.02 0.00 0.00 177.57 177.90 2k77 h LEU 139 N -0.30 0.00 0.17 2.57 3.38 -0.84 -2.03 115.31 118.26 2k77 h LEU 139 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2k77 h LEU 139 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2k77 h LEU 139 CO 0.04 0.13 -0.08 1.56 0.09 0.00 0.00 178.44 180.18 2k77 h GLN 140 N 0.00 -0.22 0.00 1.13 4.20 -1.15 -3.40 115.11 115.66 2k77 h GLN 140 Ca -0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2k77 h GLN 140 Cb 0.36 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2k77 h GLN 140 CO 0.02 -0.15 0.00 1.25 -0.67 0.00 0.00 178.83 179.28 2k77 h LEU 141 N -0.86 0.00 -0.39 1.46 5.85 -0.81 0.11 115.31 120.68 2k77 h LEU 141 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2k77 h LEU 141 Cb 0.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2k77 h LEU 141 CO 0.04 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.14 2k77 n LEU 142 N -3.03 0.23 0.00 2.25 -0.00 -0.78 -4.74 117.00 110.93 2k77 n LEU 142 Ca -0.01 0.58 0.00 0.00 -0.00 0.00 0.00 56.01 56.58 2k77 n LEU 142 Cb 0.20 -0.57 0.00 0.00 -0.00 0.00 0.00 43.42 43.04 2k77 n LEU 142 CO 0.23 -0.51 0.00 0.61 -0.00 0.00 0.00 177.39 177.73 2k77 n GLY 143 N -0.66 0.34 0.17 1.47 0.00 -0.67 -5.03 105.19 100.81 2k77 n GLY 143 Ca 0.01 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.16 -3.51 113.55 111.36 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 0.47 0.00 0.59 -0.53 0.00 0.00 176.83 177.36