#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 0.12 -0.05 0.03 1.75 -1.26 -5.03 119.30 114.86 2k77 s MET 2 Ca 0.00 0.37 -0.05 0.00 -1.25 0.00 0.00 55.69 54.75 2k77 s MET 2 Cb 0.00 -0.13 -0.28 0.00 2.84 0.00 0.00 34.83 37.26 2k77 s MET 2 CO 0.00 -0.14 0.64 0.74 -0.65 0.00 0.00 175.02 175.61 2k77 h PHE 3 N 7.01 0.51 -2.65 4.11 0.04 -1.92 -3.48 116.94 120.55 2k77 h PHE 3 Ca -0.40 -0.37 -0.37 0.00 2.80 0.00 0.00 57.97 59.62 2k77 h PHE 3 Cb 1.15 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 39.23 2k77 h PHE 3 CO 0.42 1.56 -0.44 0.41 -0.60 0.00 0.00 178.31 179.65 2k77 n GLY 4 N 1.81 0.12 2.96 -1.45 0.00 -1.26 -4.98 105.19 102.39 2k77 n GLY 4 Ca -0.24 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.64 0.82 0.09 1.61 0.52 -1.26 -5.10 118.95 110.99 2k77 s ARG 5 Ca 0.00 -0.22 0.07 0.00 -0.52 0.00 0.00 55.73 55.06 2k77 s ARG 5 Cb 0.00 -0.79 -0.03 0.00 0.52 0.00 0.00 34.95 34.65 2k77 s ARG 5 CO 0.00 0.05 -0.18 -0.06 0.02 0.00 0.00 175.30 175.13 2k77 s PHE 6 N 0.37 1.58 0.99 -0.53 0.40 -1.26 -0.61 117.98 118.92 2k77 s PHE 6 Ca -0.05 -0.44 -0.12 0.00 -0.60 0.00 0.00 56.93 55.72 2k77 s PHE 6 Cb -0.09 -0.87 0.18 0.00 0.51 0.00 0.00 43.02 42.75 2k77 s PHE 6 CO 0.00 0.16 1.08 0.95 0.70 0.00 0.00 175.22 178.11 2k77 s THR 7 N -1.27 2.31 0.33 0.64 -4.23 -0.43 -4.73 115.64 108.27 2k77 s THR 7 Ca 0.04 0.10 0.04 0.00 -1.18 0.00 0.00 61.69 60.69 2k77 s THR 7 Cb -0.10 -2.36 0.15 0.00 1.34 0.00 0.00 72.50 71.53 2k77 s THR 7 CO 0.04 -0.13 1.86 1.05 -0.54 0.00 0.00 174.62 176.89 2k77 h GLU 8 N -1.97 0.51 -0.28 3.99 9.09 -1.99 0.30 114.58 124.24 2k77 h GLU 8 Ca -0.52 -0.12 -0.14 0.00 0.05 0.00 0.00 59.36 58.63 2k77 h GLU 8 Cb 1.30 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 28.32 2k77 h GLU 8 CO 0.51 0.57 -0.40 0.00 0.05 0.00 0.00 179.01 179.73 2k77 h ARG 9 N 0.49 0.66 -0.17 1.06 2.47 -1.97 -2.01 114.38 114.91 2k77 h ARG 9 Ca 0.10 -0.34 -0.15 0.00 -1.26 0.00 0.00 59.98 58.34 2k77 h ARG 9 Cb 0.37 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 2k77 h ARG 9 CO 0.01 0.94 -0.46 0.00 0.56 0.00 0.00 179.97 181.03 2k77 h ALA 10 N 1.02 0.29 -0.91 0.04 0.00 -1.76 -1.86 119.26 116.08 2k77 h ALA 10 Ca 0.05 -0.48 0.07 0.00 0.00 0.00 0.00 54.91 54.55 2k77 h ALA 10 Cb 0.93 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 2k77 h ALA 10 CO 0.08 0.44 0.59 1.96 0.00 0.00 0.00 179.25 182.32 2k77 h GLN 11 N 0.28 0.98 -0.63 0.00 4.20 -1.00 -1.96 115.11 116.98 2k77 h GLN 11 Ca -0.01 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 2k77 h GLN 11 Cb 1.08 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 2k77 h GLN 11 CO 0.10 0.65 0.14 -0.22 -0.67 0.00 0.00 178.83 178.82 2k77 h LYS 12 N 1.00 1.03 -0.45 1.46 3.64 -1.13 0.04 116.57 122.16 2k77 h LYS 12 Ca 0.40 -0.26 -0.06 0.00 -1.27 0.00 0.00 60.65 59.46 2k77 h LYS 12 Cb 0.24 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2k77 h LYS 12 CO -0.15 0.94 0.05 -0.39 -2.27 0.00 0.00 179.45 177.62 2k77 h VAL 13 N 0.94 1.22 -0.05 2.00 -1.51 -0.76 -0.58 116.25 117.51 2k77 h VAL 13 Ca 0.20 -0.85 -0.18 0.00 -1.23 0.00 0.00 66.70 64.64 2k77 h VAL 13 Cb 0.38 0.82 -0.01 0.00 -2.13 0.00 0.00 31.29 30.36 2k77 h VAL 13 CO 0.01 0.30 -0.74 -0.07 -1.23 0.00 0.00 177.57 175.84 2k77 h LEU 14 N 0.68 0.37 -0.63 4.19 3.38 -1.14 0.47 115.31 122.63 2k77 h LEU 14 Ca 0.14 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 2k77 h LEU 14 Cb 0.34 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2k77 h LEU 14 CO 0.01 0.98 -0.01 0.00 0.09 0.00 0.00 178.44 179.51 2k77 h ALA 15 N 1.01 0.84 -0.11 1.53 0.00 -0.80 -2.28 119.26 119.46 2k77 h ALA 15 Ca -0.03 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 2k77 h ALA 15 Cb 1.31 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2k77 h ALA 15 CO 0.12 0.67 -0.44 -0.07 0.00 0.00 0.00 179.25 179.53 2k77 h LEU 16 N 0.96 0.27 -0.98 0.00 3.38 -1.00 -1.97 115.31 115.97 2k77 h LEU 16 Ca 0.17 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2k77 h LEU 16 Cb 0.57 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2k77 h LEU 16 CO 0.03 0.68 0.35 0.00 0.09 0.00 0.00 178.44 179.59 2k77 h ALA 17 N 1.33 1.20 -0.51 1.53 0.00 -0.70 0.18 119.26 122.30 2k77 h ALA 17 Ca 0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2k77 h ALA 17 Cb 0.87 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2k77 h ALA 17 CO 0.07 0.60 0.12 0.37 0.00 0.00 0.00 179.25 180.42 2k77 h GLN 18 N 1.07 0.81 -0.49 0.00 4.15 -1.24 -0.58 115.11 118.83 2k77 h GLN 18 Ca 0.26 -0.20 -0.07 0.00 0.77 0.00 0.00 58.65 59.41 2k77 h GLN 18 Cb 0.13 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 2k77 h GLN 18 CO -0.03 0.78 0.01 1.49 -1.93 0.00 0.00 178.83 179.15 2k77 h GLU 19 N 0.70 0.81 -0.17 1.69 4.81 -0.84 -1.18 114.58 120.41 2k77 h GLU 19 Ca 0.16 -0.22 -0.20 0.00 -0.13 0.00 0.00 59.36 58.97 2k77 h GLU 19 Cb 0.34 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2k77 h GLU 19 CO 0.00 0.81 -0.70 0.93 -0.73 0.00 0.00 179.01 179.33 2k77 h GLU 20 N 0.76 0.71 -0.57 1.92 4.39 -0.95 -0.86 114.58 119.98 2k77 h GLU 20 Ca 0.15 -0.54 0.01 0.00 0.34 0.00 0.00 59.36 59.32 2k77 h GLU 20 Cb 0.45 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 2k77 h GLU 20 CO 0.02 1.16 0.38 0.00 -1.16 0.00 0.00 179.01 179.40 2k77 h ALA 21 N 0.70 1.61 -0.01 3.43 0.00 -0.81 0.13 119.26 124.32 2k77 h ALA 21 Ca -0.03 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 2k77 h ALA 21 Cb 1.31 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 18.89 2k77 h ALA 21 CO 0.14 0.35 -0.76 -0.07 0.00 0.00 0.00 179.25 178.92 2k77 h LEU 22 N 0.75 0.68 -0.80 0.00 3.38 -1.18 -0.25 115.31 117.88 2k77 h LEU 22 Ca 0.21 -0.75 -0.09 0.00 0.09 0.00 0.00 57.88 57.35 2k77 h LEU 22 Cb -0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2k77 h LEU 22 CO -0.05 1.33 -0.05 0.03 0.09 0.00 0.00 178.44 179.80 2k77 h ARG 23 N 0.09 0.85 -0.00 1.13 3.08 -0.85 -2.81 114.38 115.87 2k77 h ARG 23 Ca -0.09 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.70 2k77 h ARG 23 Cb 1.44 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.41 2k77 h ARG 23 CO 0.15 0.88 -0.03 1.28 -1.07 0.00 0.00 179.97 181.18 2k77 n LEU 24 N -4.18 0.19 -0.85 3.04 4.77 0.01 -4.94 117.00 115.04 2k77 n LEU 24 Ca 0.02 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 55.99 2k77 n LEU 24 Cb 0.34 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 2k77 n LEU 24 CO 0.43 0.03 -0.10 0.61 -1.33 0.00 0.00 177.39 177.03 2k77 n GLY 25 N 1.19 1.02 0.07 -0.72 0.00 -1.06 -3.76 105.19 101.94 2k77 n GLY 25 Ca 0.17 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 2k77 n GLY 25 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2k77 h HIS 26 N 0.00 0.12 -2.62 1.61 3.86 -1.36 0.10 115.15 116.86 2k77 h HIS 26 Ca -0.22 -0.09 -0.12 0.00 -1.16 0.00 0.00 60.37 58.79 2k77 h HIS 26 Cb 0.74 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.17 2k77 h HIS 26 CO 0.29 1.08 -0.12 0.27 0.86 0.00 0.00 177.93 180.30 2k77 n ASN 27 N -3.36 -1.83 -3.86 2.45 6.94 -0.53 -4.36 115.26 110.71 2k77 n ASN 27 Ca -0.04 0.21 -0.12 0.00 -0.02 0.00 0.00 54.58 54.61 2k77 n ASN 27 Cb 0.97 -1.85 -0.12 0.00 -2.36 0.00 0.00 39.78 36.42 2k77 n ASN 27 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 2k77 s ASN 28 N -1.67 -0.04 -0.35 0.53 0.01 -1.26 -3.59 114.94 108.57 2k77 s ASN 28 Ca 0.00 0.04 -0.17 0.00 -0.71 0.00 0.00 52.86 52.02 2k77 s ASN 28 Cb 0.00 0.22 -0.01 0.00 0.41 0.00 0.00 41.25 41.87 2k77 s ASN 28 CO 0.00 -0.16 0.44 -0.63 -1.51 0.00 0.00 177.10 175.24 2k77 s ILE 29 N -0.50 5.09 0.58 0.60 1.01 0.04 -4.72 121.20 123.30 2k77 s ILE 29 Ca -0.06 0.20 0.09 0.00 0.00 0.00 0.00 60.65 60.88 2k77 s ILE 29 Cb -0.04 -3.90 0.09 0.00 0.01 0.00 0.00 42.46 38.62 2k77 s ILE 29 CO 0.00 -0.16 0.80 -0.83 0.00 0.00 0.00 174.94 174.75 2k77 s GLY 30 N 1.75 1.73 0.27 6.18 0.00 -1.26 -1.45 107.32 114.53 2k77 s GLY 30 Ca 0.15 -2.13 -0.01 0.00 0.00 0.00 0.00 44.72 42.73 2k77 s GLY 30 CO 0.13 -1.67 1.85 -0.91 0.00 0.00 0.00 173.10 172.50 2k77 h THR 31 N 0.14 0.99 -0.57 0.90 1.35 -1.93 -1.92 112.91 111.88 2k77 h THR 31 Ca -0.30 -0.36 0.12 0.00 -0.55 0.00 0.00 66.41 65.32 2k77 h THR 31 Cb 1.29 -0.14 -0.10 0.00 -1.73 0.00 0.00 68.15 67.46 2k77 h THR 31 CO 0.41 0.19 -0.10 1.05 -0.25 0.00 0.00 175.52 176.82 2k77 h GLU 32 N 1.04 0.03 -0.08 4.72 9.09 -1.94 -0.44 114.58 127.00 2k77 h GLU 32 Ca 0.45 -0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.69 2k77 h GLU 32 Cb 0.32 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.41 2k77 h GLU 32 CO -0.22 0.02 -0.68 0.45 0.05 0.00 0.00 179.01 178.63 2k77 h HIS 33 N 0.03 0.48 -0.45 2.06 3.86 -1.72 -0.28 115.15 119.12 2k77 h HIS 33 Ca 0.28 -0.20 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 2k77 h HIS 33 Cb 0.44 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 2k77 h HIS 33 CO -0.43 0.93 0.08 0.82 0.86 0.00 0.00 177.93 180.19 2k77 h ILE 34 N 0.25 1.24 -0.43 2.45 2.04 -1.13 0.57 117.51 122.51 2k77 h ILE 34 Ca -0.02 -0.89 -0.05 0.00 1.00 0.00 0.00 64.86 64.90 2k77 h ILE 34 Cb 1.24 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 2k77 h ILE 34 CO 0.11 0.31 0.09 0.25 0.00 0.00 0.00 178.15 178.92 2k77 h LEU 35 N 0.62 0.67 -0.79 1.44 5.85 -0.95 -1.33 115.31 120.82 2k77 h LEU 35 Ca 0.14 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.51 2k77 h LEU 35 Cb 0.38 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2k77 h LEU 35 CO 0.01 0.74 -0.23 0.25 -0.34 0.00 0.00 178.44 178.87 2k77 h LEU 36 N 0.57 0.67 -0.91 2.25 5.85 -0.97 -2.25 115.31 120.52 2k77 h LEU 36 Ca 0.13 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 2k77 h LEU 36 Cb 0.35 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2k77 h LEU 36 CO 0.00 0.89 0.29 1.23 -0.34 0.00 0.00 178.44 180.51 2k77 h GLY 37 N 0.99 1.16 0.73 3.75 0.00 -0.82 -1.62 103.07 107.26 2k77 h GLY 37 Ca 0.08 -0.62 0.02 0.00 0.00 0.00 0.00 47.33 46.81 2k77 h GLY 37 CO 0.05 0.59 -0.13 1.41 0.00 0.00 0.00 176.54 178.46 2k77 h LEU 38 N 1.06 -0.37 -0.95 3.11 3.38 -0.73 -1.09 115.31 119.72 2k77 h LEU 38 Ca 0.24 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 2k77 h LEU 38 Cb 0.21 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2k77 h LEU 38 CO -0.02 -0.19 -0.40 -0.37 0.09 0.00 0.00 178.44 177.55 2k77 h VAL 39 N -0.24 0.97 0.00 1.22 -1.51 -1.37 -1.24 116.25 114.08 2k77 h VAL 39 Ca 0.03 -1.57 -0.09 0.00 -1.23 0.00 0.00 66.70 63.84 2k77 h VAL 39 Cb 0.28 1.93 -0.01 0.00 -2.13 0.00 0.00 31.29 31.36 2k77 h VAL 39 CO -0.10 0.40 -0.43 -0.09 -1.23 0.00 0.00 177.57 176.12 2k77 h ARG 40 N 0.00 0.00 0.13 5.19 2.43 -1.12 -3.07 114.38 117.93 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 0.90 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 2k77 h ARG 40 CO 0.05 0.43 -0.06 1.49 -1.51 0.00 0.00 179.97 180.37 2k77 h GLU 41 N 0.00 -0.16 0.00 0.20 4.22 -0.84 -3.48 114.58 114.52 2k77 h GLU 41 Ca -0.00 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2k77 h GLU 41 Cb 0.85 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2k77 h GLU 41 CO 0.06 0.27 0.00 0.41 -2.18 0.00 0.00 179.01 177.57 2k77 n GLY 42 N 0.22 2.24 0.00 1.92 0.00 -0.50 -4.71 105.19 104.35 2k77 n GLY 42 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2k77 n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k77 n GLU 43 N -1.96 2.40 -1.16 1.61 1.02 -1.26 -4.32 120.64 116.96 2k77 n GLU 43 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 2k77 n GLU 43 Cb 0.00 -0.79 0.11 0.00 -0.02 0.00 0.00 31.44 30.74 2k77 n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k77 n GLY 44 N 1.80 -0.50 0.32 0.62 0.00 -1.26 -4.67 105.19 101.50 2k77 n GLY 44 Ca 0.00 -0.46 0.07 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.73 0.81 -0.40 -0.61 1.08 -1.95 -0.27 117.51 115.45 2k77 h ILE 45 Ca -0.46 -0.26 -0.06 0.00 -0.39 0.00 0.00 64.86 63.69 2k77 h ILE 45 Cb 1.31 -0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 2k77 h ILE 45 CO 0.45 0.14 0.03 0.00 -0.69 0.00 0.00 178.15 178.08 2k77 h ALA 46 N 1.53 0.53 -0.49 1.87 0.00 -1.89 0.41 119.26 121.23 2k77 h ALA 46 Ca 0.46 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 2k77 h ALA 46 Cb 0.57 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2k77 h ALA 46 CO -0.31 0.28 -0.09 0.00 0.00 0.00 0.00 179.25 179.12 2k77 h ALA 47 N 0.90 0.91 -0.33 0.00 0.00 -1.58 -0.16 119.26 119.00 2k77 h ALA 47 Ca 0.12 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2k77 h ALA 47 Cb 0.42 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2k77 h ALA 47 CO 0.01 0.63 -0.14 0.87 0.00 0.00 0.00 179.25 180.63 2k77 h LYS 48 N 0.80 0.58 -0.49 0.00 1.57 -1.04 -1.80 116.57 116.19 2k77 h LYS 48 Ca 0.13 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 2k77 h LYS 48 Cb 0.61 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 2k77 h LYS 48 CO 0.04 0.71 -0.08 0.00 -0.57 0.00 0.00 179.45 179.55 2k77 h ALA 49 N 1.32 0.67 -0.31 3.86 0.00 -0.43 0.55 119.26 124.92 2k77 h ALA 49 Ca 0.09 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2k77 h ALA 49 Cb 0.55 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2k77 h ALA 49 CO 0.03 0.55 0.20 -0.07 0.00 0.00 0.00 179.25 179.97 2k77 h LEU 50 N 0.78 0.36 -1.08 0.00 3.38 -0.94 -1.73 115.31 116.09 2k77 h LEU 50 Ca 0.13 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2k77 h LEU 50 Cb 0.62 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2k77 h LEU 50 CO 0.04 0.26 -0.20 1.56 0.09 0.00 0.00 178.44 180.19 2k77 h GLN 51 N 0.42 0.41 -0.18 1.13 4.20 -1.23 -2.41 115.11 117.45 2k77 h GLN 51 Ca 0.11 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 2k77 h GLN 51 Cb -0.05 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 2k77 h GLN 51 CO -0.02 0.60 -0.21 0.00 -0.67 0.00 0.00 178.83 178.52 2k77 h ALA 52 N 1.42 1.31 0.00 3.87 0.00 -0.63 -1.71 119.26 123.51 2k77 h ALA 52 Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2k77 h ALA 52 Cb 0.57 -0.10 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 -4.18 0.00 0.00 0.00 4.77 -0.67 -4.87 117.00 112.05 2k77 n LEU 53 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2k77 n LEU 53 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 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 0.24 0.71 2.74 -0.72 0.00 -0.64 -5.00 105.19 102.52 2k77 n GLY 54 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.59 0.99 4.77 -0.94 -5.00 117.00 113.24 2k77 n LEU 55 Ca 0.00 -1.18 -0.07 0.00 -0.03 0.00 0.00 56.01 54.72 2k77 n LEU 55 Cb 0.00 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.43 2k77 n LEU 55 CO 0.00 -1.07 0.63 -0.83 -1.33 0.00 0.00 177.39 174.79 2k77 s GLY 56 N -4.83 -0.40 0.21 -0.72 0.00 -1.26 -4.34 107.32 95.99 2k77 s GLY 56 Ca 0.51 0.57 -0.09 0.00 0.00 0.00 0.00 44.72 45.71 2k77 s GLY 56 CO 0.36 0.18 1.85 1.48 0.00 0.00 0.00 173.10 176.96 2k77 h SER 57 N 2.00 0.75 -0.77 1.64 4.64 -1.98 -1.87 113.55 117.95 2k77 h SER 57 Ca -0.24 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.03 2k77 h SER 57 Cb 1.25 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.15 2k77 h SER 57 CO 0.30 0.51 0.31 -0.08 -0.87 0.00 0.00 176.83 177.00 2k77 h GLU 58 N 0.89 1.16 -0.25 4.77 4.81 -1.97 -0.22 114.58 123.76 2k77 h GLU 58 Ca 0.30 -0.21 -0.18 0.00 -0.13 0.00 0.00 59.36 59.14 2k77 h GLU 58 Cb 0.04 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.23 2k77 h GLU 58 CO -0.12 0.94 -0.53 0.87 -0.73 0.00 0.00 179.01 179.44 2k77 h LYS 59 N 1.13 0.81 -0.21 1.92 1.79 -1.84 -0.36 116.57 119.81 2k77 h LYS 59 Ca 0.26 -0.53 -0.16 0.00 -2.18 0.00 0.00 60.65 58.04 2k77 h LYS 59 Cb 0.22 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2k77 h LYS 59 CO -0.02 1.16 -0.49 0.82 -1.08 0.00 0.00 179.45 179.84 2k77 h ILE 60 N 0.56 1.31 -0.76 1.86 2.04 -1.34 -2.86 117.51 118.33 2k77 h ILE 60 Ca 0.01 -1.70 -0.01 0.00 1.00 0.00 0.00 64.86 64.15 2k77 h ILE 60 Cb 1.14 1.83 -0.04 0.00 -0.74 0.00 0.00 36.82 39.02 2k77 h ILE 60 CO 0.12 0.54 0.42 -0.61 0.00 0.00 0.00 178.15 178.61 2k77 h GLN 61 N 0.42 1.06 -0.11 2.37 4.15 -1.00 -0.32 115.11 121.68 2k77 h GLN 61 Ca -0.00 -0.12 0.04 0.00 0.77 0.00 0.00 58.65 59.34 2k77 h GLN 61 Cb 1.10 -0.21 -0.06 0.00 0.21 0.00 0.00 27.48 28.52 2k77 h GLN 61 CO 0.11 0.78 -0.30 -0.22 -1.93 0.00 0.00 178.83 177.27 2k77 h LYS 62 N 1.05 -0.37 -0.01 1.69 1.63 -1.08 -0.78 116.57 118.69 2k77 h LYS 62 Ca 0.27 0.03 -0.15 0.00 -0.85 0.00 0.00 60.65 59.94 2k77 h LYS 62 Cb 0.03 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 2k77 h LYS 62 CO -0.04 -0.25 -0.69 0.93 -3.45 0.00 0.00 179.45 175.95 2k77 h GLU 63 N -0.39 0.05 0.51 1.90 4.39 -1.24 -0.70 114.58 119.11 2k77 h GLU 63 Ca 0.09 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 2k77 h GLU 63 Cb 0.53 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2k77 h GLU 63 CO -0.33 0.72 -0.24 0.28 -1.16 0.00 0.00 179.01 178.28 2k77 h VAL 64 N 0.04 0.44 0.00 3.13 2.07 -0.98 -3.13 116.25 117.82 2k77 h VAL 64 Ca -0.01 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2k77 h VAL 64 Cb 1.22 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2k77 h VAL 64 CO 0.09 0.04 -0.16 -0.33 0.02 0.00 0.00 177.57 177.24 2k77 h GLU 65 N -0.88 0.00 0.00 1.57 5.08 -1.09 -0.48 114.58 118.79 2k77 h GLU 65 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2k77 h GLU 65 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2k77 h GLU 65 CO 0.11 0.16 0.00 0.77 -1.00 0.00 0.00 179.01 179.05 2k77 h SER 66 N 0.00 0.00 0.00 1.42 0.02 -1.13 -1.16 113.55 112.70 2k77 h SER 66 Ca -0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 2k77 h SER 66 Cb 0.36 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 2k77 h SER 66 CO 0.02 0.00 -1.60 0.18 -1.14 0.00 0.00 176.83 174.29 2k77 n LEU 67 N -2.72 0.00 0.00 5.07 4.77 -0.33 -4.79 117.00 119.00 2k77 n LEU 67 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2k77 n LEU 67 Cb 0.19 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2k77 n LEU 67 CO 0.21 0.16 0.38 2.30 -1.33 0.00 0.00 177.39 179.11 2k77 n ILE 68 N -2.20 0.59 -0.65 -0.08 -5.35 -0.40 -4.96 119.36 106.31 2k77 n ILE 68 Ca -0.11 -0.70 -0.10 0.00 -0.27 0.00 0.00 62.75 61.57 2k77 n ILE 68 Cb 0.64 0.76 -0.09 0.00 -1.74 0.00 0.00 39.64 39.21 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 -0.29 2.42 0.00 3.28 0.00 -0.44 -3.66 105.19 106.49 2k77 n GLY 69 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2k77 n GLY 69 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2k77 n ARG 70 N 2.93 3.54 -0.51 1.61 1.85 -1.26 -5.06 116.66 119.77 2k77 n ARG 70 Ca 0.30 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 57.22 2k77 n ARG 70 Cb 0.50 -0.35 -0.02 0.00 -1.05 0.00 0.00 32.46 31.54 2k77 n ARG 70 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2k77 n GLY 71 N 0.17 -1.86 0.78 2.89 0.00 -1.24 -4.98 105.19 100.95 2k77 n GLY 71 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 2k77 n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k77 n GLN 72 N -2.17 0.00 -3.53 1.61 6.02 0.02 -4.85 117.38 114.48 2k77 n GLN 72 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.78 2k77 n GLN 72 Cb 0.23 -0.29 0.01 0.00 1.02 0.00 0.00 30.24 31.21 2k77 n GLN 72 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2k77 n GLU 73 N -1.89 -1.63 0.00 -1.09 2.13 0.14 -4.97 120.64 113.33 2k77 n GLU 73 Ca 0.00 1.13 0.00 0.00 0.66 0.00 0.00 57.16 58.95 2k77 n GLU 73 Cb 0.00 -3.16 0.00 0.00 0.27 0.00 0.00 31.44 28.55 2k77 n GLU 73 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2k77 n MET 74 N -1.83 1.53 -4.04 5.31 2.81 -1.26 -5.11 117.12 114.53 2k77 n MET 74 Ca -0.18 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.61 2k77 n MET 74 Cb 0.64 -0.95 -0.07 0.00 -0.71 0.00 0.00 33.22 32.14 2k77 n MET 74 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2k77 s SER 75 N -2.08 -0.02 0.10 7.83 0.15 -1.26 -5.07 113.70 113.34 2k77 s SER 75 Ca 0.00 -1.03 0.22 0.00 0.70 0.00 0.00 55.95 55.85 2k77 s SER 75 Cb 0.00 0.52 -0.12 0.00 -1.71 0.00 0.00 66.02 64.71 2k77 s SER 75 CO 0.00 -1.04 0.83 1.67 1.20 0.00 0.00 173.24 175.90 2k77 n GLN 76 N -0.34 0.58 -4.40 5.44 0.00 -1.26 -4.77 117.38 112.63 2k77 n GLN 76 Ca -0.01 -0.01 -0.25 0.00 -0.00 0.00 0.00 57.00 56.72 2k77 n GLN 76 Cb 0.63 -1.68 -0.11 0.00 0.00 0.00 0.00 30.24 29.07 2k77 n GLN 76 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 2k77 s THR 77 N -3.40 2.23 0.31 1.69 -1.32 -1.26 -5.06 115.64 108.84 2k77 s THR 77 Ca -0.03 -2.04 -0.17 0.00 -1.21 0.00 0.00 61.69 58.25 2k77 s THR 77 Cb 0.12 -2.07 -0.09 0.00 -1.51 0.00 0.00 72.50 68.95 2k77 s THR 77 CO 0.84 -0.19 0.76 -0.63 -2.21 0.00 0.00 174.62 173.19 2k77 s ILE 78 N -1.83 4.61 0.04 5.08 1.09 -1.26 -4.79 121.20 124.14 2k77 s ILE 78 Ca 0.20 1.10 -0.01 0.00 -1.10 0.00 0.00 60.65 60.85 2k77 s ILE 78 Cb -0.07 -3.67 -0.03 0.00 -1.06 0.00 0.00 42.46 37.63 2k77 s ILE 78 CO 0.09 -0.11 -0.02 -2.28 -0.10 0.00 0.00 174.94 172.52 2k77 s HIS 79 N -1.90 0.41 -0.06 3.97 5.65 -1.24 -5.01 115.29 117.11 2k77 s HIS 79 Ca 0.53 -0.86 -0.13 0.00 0.25 0.00 0.00 55.06 54.85 2k77 s HIS 79 Cb -0.12 -0.31 -0.05 0.00 -1.18 0.00 0.00 32.58 30.93 2k77 s HIS 79 CO 0.18 -0.32 0.33 0.71 -0.65 0.00 0.00 174.74 174.99 2k77 s TYR 80 N -3.04 3.63 0.84 3.88 1.51 -1.26 -0.78 117.35 122.13 2k77 s TYR 80 Ca -0.01 0.81 -0.11 0.00 -1.01 0.00 0.00 57.07 56.75 2k77 s TYR 80 Cb 0.02 -2.24 0.10 0.00 -0.11 0.00 0.00 41.96 39.72 2k77 s TYR 80 CO -0.07 0.55 1.10 0.95 -1.11 0.00 0.00 175.55 176.98 2k77 s THR 81 N -0.65 2.85 0.40 -0.71 -4.23 -0.53 -4.77 115.64 108.01 2k77 s THR 81 Ca 0.21 0.28 0.15 0.00 -1.18 0.00 0.00 61.69 61.15 2k77 s THR 81 Cb -0.15 -2.62 0.36 0.00 1.34 0.00 0.00 72.50 71.43 2k77 s THR 81 CO 0.09 -0.36 1.86 1.55 -0.54 0.00 0.00 174.62 177.22 2k77 h PRO 82 N -1.44 0.46 -0.11 3.99 0.13 -1.99 0.57 132.00 133.62 2k77 h PRO 82 Ca -0.45 -0.03 -0.23 0.00 -0.87 0.00 0.00 66.00 64.42 2k77 h PRO 82 Cb 1.25 -0.10 0.01 0.00 0.13 0.00 0.00 31.00 32.29 2k77 h PRO 82 CO 0.49 0.30 -0.85 0.00 -0.23 0.00 0.00 178.00 177.72 2k77 h ARG 83 N 0.47 0.73 -0.55 0.86 3.08 -1.94 -1.28 114.38 115.75 2k77 h ARG 83 Ca 0.46 -0.65 -0.11 0.00 0.07 0.00 0.00 59.98 59.75 2k77 h ARG 83 Cb 1.04 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 2k77 h ARG 83 CO -0.18 1.25 -0.11 0.00 -1.07 0.00 0.00 179.97 179.86 2k77 h ALA 84 N 0.56 0.77 -0.66 0.04 0.00 -1.70 -0.40 119.26 117.86 2k77 h ALA 84 Ca -0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2k77 h ALA 84 Cb 1.48 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 2k77 h ALA 84 CO 0.17 0.67 0.36 -0.22 0.00 0.00 0.00 179.25 180.23 2k77 h LYS 85 N 0.92 0.93 -0.47 0.00 1.63 -0.91 0.01 116.57 118.67 2k77 h LYS 85 Ca 0.14 -0.11 0.01 0.00 -0.85 0.00 0.00 60.65 59.84 2k77 h LYS 85 Cb 0.68 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 32.10 2k77 h LYS 85 CO 0.05 0.70 0.31 0.87 -3.45 0.00 0.00 179.45 177.93 2k77 h LYS 86 N 0.90 0.60 -0.38 1.90 1.57 -1.08 -1.53 116.57 118.56 2k77 h LYS 86 Ca 0.23 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 2k77 h LYS 86 Cb 0.05 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 2k77 h LYS 86 CO -0.04 0.40 0.16 0.28 -0.57 0.00 0.00 179.45 179.68 2k77 h VAL 87 N 0.62 0.94 -0.54 0.50 2.07 -0.70 -0.16 116.25 118.98 2k77 h VAL 87 Ca 0.18 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.60 2k77 h VAL 87 Cb -0.05 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 2k77 h VAL 87 CO -0.05 0.06 0.33 0.40 0.02 0.00 0.00 177.57 178.34 2k77 h ILE 88 N 0.34 1.07 -0.35 4.57 1.08 -0.70 0.11 117.51 123.63 2k77 h ILE 88 Ca 0.17 -0.23 -0.10 0.00 -0.39 0.00 0.00 64.86 64.31 2k77 h ILE 88 Cb 0.11 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.20 2k77 h ILE 88 CO -0.14 0.12 -0.17 -0.33 -0.69 0.00 0.00 178.15 176.94 2k77 h GLU 89 N 0.67 0.73 -0.25 2.37 5.08 -1.10 -2.84 114.58 119.24 2k77 h GLU 89 Ca 0.21 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 2k77 h GLU 89 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2k77 h GLU 89 CO -0.09 0.93 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.58 2k77 h LEU 90 N 0.52 0.45 -0.67 1.33 3.38 -0.78 -0.62 115.31 118.92 2k77 h LEU 90 Ca 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2k77 h LEU 90 Cb 0.71 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2k77 h LEU 90 CO 0.05 0.67 0.39 0.28 0.09 0.00 0.00 178.44 179.92 2k77 h SER 91 N 0.41 0.81 0.71 -0.43 0.02 -0.76 -0.99 113.55 113.33 2k77 h SER 91 Ca 0.07 -0.07 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 2k77 h SER 91 Cb 0.59 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2k77 h SER 91 CO 0.04 0.64 -0.83 -0.03 -1.14 0.00 0.00 176.83 175.52 2k77 h MET 92 N 0.91 0.08 -0.57 3.45 1.85 -1.23 -0.53 114.93 118.88 2k77 h MET 92 Ca 0.24 -0.08 -0.06 0.00 -0.61 0.00 0.00 59.70 59.19 2k77 h MET 92 Cb -0.01 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.02 2k77 h MET 92 CO -0.04 0.86 0.14 0.22 -0.40 0.00 0.00 176.91 177.68 2k77 h ASP 93 N 0.04 0.87 -0.28 1.39 3.58 -0.97 -1.29 116.42 119.76 2k77 h ASP 93 Ca -0.02 -0.23 -0.13 0.00 0.42 0.00 0.00 57.03 57.06 2k77 h ASP 93 Cb 1.45 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 2k77 h ASP 93 CO 0.11 0.88 -0.31 -0.33 -2.88 0.00 0.00 179.24 176.71 2k77 h GLU 94 N 0.82 0.79 -0.79 0.28 4.39 -1.10 -1.71 114.58 117.27 2k77 h GLU 94 Ca 0.18 -0.36 0.02 0.00 0.34 0.00 0.00 59.36 59.53 2k77 h GLU 94 Cb 0.34 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 2k77 h GLU 94 CO 0.00 0.99 0.52 0.00 -1.16 0.00 0.00 179.01 179.36 2k77 h ALA 95 N 0.98 1.02 -0.78 3.43 0.00 -0.96 -1.11 119.26 121.85 2k77 h ALA 95 Ca 0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2k77 h ALA 95 Cb 0.85 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2k77 h ALA 95 CO 0.07 0.39 0.33 -0.09 0.00 0.00 0.00 179.25 179.95 2k77 h ARG 96 N 1.05 1.15 -0.49 0.00 2.43 -1.11 -0.82 114.38 116.58 2k77 h ARG 96 Ca 0.30 -0.20 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 2k77 h ARG 96 Cb -0.08 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.25 2k77 h ARG 96 CO -0.08 0.92 0.14 -0.22 -1.51 0.00 0.00 179.97 179.22 2k77 h LYS 97 N 1.11 0.73 0.00 0.20 3.64 -0.81 -1.58 116.57 119.87 2k77 h LYS 97 Ca 0.26 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2k77 h LYS 97 Cb 0.19 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2k77 h LYS 97 CO -0.02 0.65 0.00 1.28 -2.27 0.00 0.00 179.45 179.08 2k77 n LEU 98 N -4.31 0.06 -0.19 5.20 7.99 -0.46 -4.94 117.00 120.34 2k77 n LEU 98 Ca 0.04 0.51 -0.02 0.00 -0.01 0.00 0.00 56.01 56.52 2k77 n LEU 98 Cb 0.20 -0.49 -0.01 0.00 -0.11 0.00 0.00 43.42 43.00 2k77 n LEU 98 CO 0.39 -0.08 -0.02 0.61 -1.51 0.00 0.00 177.39 176.77 2k77 n GLY 99 N 1.09 0.58 3.74 -0.72 0.00 -0.59 -5.05 105.19 104.24 2k77 n GLY 99 Ca 0.06 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.06 3.69 -2.00 1.61 3.76 -0.38 -4.98 115.29 114.94 2k77 s HIS 100 Ca 0.00 1.37 0.15 0.00 -0.15 0.00 0.00 55.06 56.43 2k77 s HIS 100 Cb 0.00 -2.77 0.88 0.00 1.11 0.00 0.00 32.58 31.80 2k77 s HIS 100 CO 0.00 0.25 1.46 0.43 -0.85 0.00 0.00 174.74 176.04 2k77 n SER 101 N 2.99 0.00 -3.53 1.40 7.64 -1.26 -4.16 113.62 116.69 2k77 n SER 101 Ca -0.03 -1.27 -0.12 0.00 1.01 0.00 0.00 58.87 58.46 2k77 n SER 101 Cb 0.51 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.67 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 -2.00 -0.41 -0.30 1.43 -0.85 -1.26 -4.81 117.35 109.15 2k77 s TYR 102 Ca 0.22 0.25 -0.25 0.00 -0.52 0.00 0.00 57.07 56.78 2k77 s TYR 102 Cb 0.10 0.40 0.00 0.00 0.38 0.00 0.00 41.96 42.85 2k77 s TYR 102 CO 0.17 -0.74 0.85 0.08 -1.52 0.00 0.00 175.55 174.40 2k77 s VAL 103 N -3.33 4.74 0.75 -3.49 1.01 0.22 -4.89 120.40 115.40 2k77 s VAL 103 Ca -0.00 1.34 -0.08 0.00 0.00 0.00 0.00 61.98 63.24 2k77 s VAL 103 Cb 0.00 -4.20 0.09 0.00 0.00 0.00 0.00 36.38 32.26 2k77 s VAL 103 CO -0.09 -0.28 1.06 -0.83 0.00 0.00 0.00 175.10 174.96 2k77 s GLY 104 N 1.59 1.70 0.26 4.51 0.00 -1.26 -1.31 107.32 112.82 2k77 s GLY 104 Ca 0.35 -1.03 -0.04 0.00 0.00 0.00 0.00 44.72 44.01 2k77 s GLY 104 CO 0.13 -0.55 1.91 -0.91 0.00 0.00 0.00 173.10 173.68 2k77 h THR 105 N -0.76 1.17 -0.45 0.90 1.35 -1.93 -1.38 112.91 111.80 2k77 h THR 105 Ca -0.44 -0.43 0.09 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 67.44 2k77 h THR 105 CO 0.56 0.23 -0.29 1.05 -0.25 0.00 0.00 175.52 176.82 2k77 h GLU 106 N 1.25 -0.19 -0.09 4.72 9.09 -1.93 -2.05 114.58 125.38 2k77 h GLU 106 Ca 0.39 0.01 -0.10 0.00 0.05 0.00 0.00 59.36 59.71 2k77 h GLU 106 Cb 0.00 0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.13 2k77 h GLU 106 CO -0.12 -0.12 -0.42 0.45 0.05 0.00 0.00 179.01 178.84 2k77 h HIS 107 N -0.19 0.23 -0.31 2.06 3.86 -1.72 -1.48 115.15 117.60 2k77 h HIS 107 Ca 0.20 -0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.37 2k77 h HIS 107 Cb 0.51 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.91 2k77 h HIS 107 CO -0.53 0.59 0.14 0.82 0.86 0.00 0.00 177.93 179.81 2k77 h ILE 108 N 0.16 0.97 -0.53 2.45 2.04 -0.82 -0.59 117.51 121.19 2k77 h ILE 108 Ca 0.01 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 2k77 h ILE 108 Cb 0.82 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 2k77 h ILE 108 CO 0.06 0.05 0.14 0.25 0.00 0.00 0.00 178.15 178.65 2k77 h LEU 109 N 0.29 0.79 -1.38 1.44 5.85 -0.96 -1.19 115.31 120.16 2k77 h LEU 109 Ca 0.13 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.72 2k77 h LEU 109 Cb 0.06 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 2k77 h LEU 109 CO -0.10 0.81 0.50 -0.07 -0.34 0.00 0.00 178.44 179.24 2k77 h LEU 110 N 0.74 0.63 -0.33 2.25 3.38 -1.03 -1.47 115.31 119.48 2k77 h LEU 110 Ca 0.17 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 2k77 h LEU 110 Cb 0.32 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2k77 h LEU 110 CO 0.00 0.38 0.03 1.23 0.09 0.00 0.00 178.44 180.17 2k77 h GLY 111 N 0.70 0.61 0.87 0.83 0.00 -0.61 -1.53 103.07 103.94 2k77 h GLY 111 Ca 0.35 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 47.29 2k77 h GLY 111 CO -0.13 0.39 0.32 1.41 0.00 0.00 0.00 176.54 178.53 2k77 h LEU 112 N 0.38 0.51 -0.18 3.11 3.38 -0.25 -1.41 115.31 120.86 2k77 h LEU 112 Ca 0.10 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 2k77 h LEU 112 Cb 0.39 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2k77 h LEU 112 CO 0.01 0.36 -0.42 0.16 0.09 0.00 0.00 178.44 178.64 2k77 h ILE 113 N 0.63 1.33 0.00 1.22 3.07 -1.40 -3.32 117.51 119.05 2k77 h ILE 113 Ca 0.22 -1.67 -0.04 0.00 1.55 0.00 0.00 64.86 64.92 2k77 h ILE 113 Cb 0.03 1.92 -0.01 0.00 -0.27 0.00 0.00 36.82 38.49 2k77 h ILE 113 CO -0.10 0.51 -0.18 -0.09 -1.05 0.00 0.00 178.15 177.25 2k77 h ARG 114 N 0.27 0.00 -0.37 0.16 9.65 -1.05 -2.26 114.38 120.79 2k77 h ARG 114 Ca -0.00 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.75 2k77 h ARG 114 Cb 1.03 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.60 2k77 h ARG 114 CO 0.09 0.18 -0.27 1.49 2.80 0.00 0.00 179.97 184.26 2k77 h GLU 115 N 0.00 0.77 0.00 0.20 4.22 -1.36 -3.48 114.58 114.94 2k77 h GLU 115 Ca -0.00 -0.34 0.00 0.00 0.08 0.00 0.00 59.36 59.10 2k77 h GLU 115 Cb 0.39 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2k77 h GLU 115 CO 0.02 0.96 0.00 0.41 -2.18 0.00 0.00 179.01 178.22 2k77 n GLY 116 N -0.15 0.39 0.00 1.92 0.00 -0.85 -4.71 105.19 101.79 2k77 n GLY 116 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.79 2.29 -0.70 1.61 1.02 -1.26 -4.90 120.64 116.91 2k77 n GLU 117 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 2k77 n GLU 117 Cb 0.05 -0.77 0.22 0.00 -0.02 0.00 0.00 31.44 30.92 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 -1.82 1.58 0.36 0.62 0.00 -1.26 -4.83 107.32 101.97 2k77 s GLY 118 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 44.72 44.78 2k77 s GLY 118 CO 0.00 0.63 1.97 -2.08 0.00 0.00 0.00 173.10 173.62 2k77 h VAL 119 N -2.30 1.04 -0.51 1.40 2.07 -1.98 -2.61 116.25 113.37 2k77 h VAL 119 Ca -0.56 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 66.74 2k77 h VAL 119 Cb 1.31 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 2k77 h VAL 119 CO 0.50 0.14 0.27 0.00 0.02 0.00 0.00 177.57 178.49 2k77 h ALA 120 N 1.61 0.65 -0.49 1.67 0.00 -1.92 0.91 119.26 121.69 2k77 h ALA 120 Ca 0.30 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 2k77 h ALA 120 Cb 0.21 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2k77 h ALA 120 CO -0.10 -0.07 0.05 0.00 0.00 0.00 0.00 179.25 179.14 2k77 h ALA 121 N 1.26 1.17 -0.35 0.00 0.00 -1.65 -2.32 119.26 117.37 2k77 h ALA 121 Ca 0.22 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 2k77 h ALA 121 Cb 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2k77 h ALA 121 CO -0.14 0.55 -0.40 0.00 0.00 0.00 0.00 179.25 179.26 2k77 h ARG 122 N 0.74 0.90 -0.21 0.00 3.08 -1.22 -2.30 114.38 115.37 2k77 h ARG 122 Ca 0.15 -0.49 0.03 0.00 0.07 0.00 0.00 59.98 59.75 2k77 h ARG 122 Cb 0.38 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 2k77 h ARG 122 CO 0.01 1.14 0.02 0.28 -1.07 0.00 0.00 179.97 180.34 2k77 h VAL 123 N 0.70 0.88 -0.67 2.04 2.07 -0.72 -0.06 116.25 120.48 2k77 h VAL 123 Ca 0.05 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2k77 h VAL 123 Cb 0.99 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2k77 h VAL 123 CO 0.10 0.02 0.39 -0.07 0.02 0.00 0.00 177.57 178.02 2k77 h LEU 124 N 0.09 0.82 -0.93 2.57 3.38 -1.40 -1.89 115.31 117.95 2k77 h LEU 124 Ca 0.10 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2k77 h LEU 124 Cb 0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2k77 h LEU 124 CO -0.15 0.66 -0.37 0.78 0.09 0.00 0.00 178.44 179.45 2k77 h ASN 125 N 0.91 0.33 -0.68 -0.43 2.35 -1.16 0.48 115.58 117.38 2k77 h ASN 125 Ca 0.24 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 2k77 h ASN 125 Cb 0.00 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 2k77 h ASN 125 CO -0.04 0.68 0.21 0.78 -1.65 0.00 0.00 177.43 177.41 2k77 h ASN 126 N 0.27 0.99 0.68 5.81 4.21 -0.66 -3.16 115.58 123.73 2k77 h ASN 126 Ca 0.03 -0.21 -0.18 0.00 1.21 0.00 0.00 56.30 57.15 2k77 h ASN 126 Cb 0.78 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.70 2k77 h ASN 126 CO 0.06 0.94 -0.82 -0.07 -1.29 0.00 0.00 177.43 176.25 2k77 h LEU 127 N 0.99 0.12 0.00 1.61 3.38 -1.11 -3.48 115.31 116.82 2k77 h LEU 127 Ca 0.22 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2k77 h LEU 127 Cb 0.30 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2k77 h LEU 127 CO -0.01 0.89 0.00 0.61 0.09 0.00 0.00 178.44 180.02 2k77 n GLY 128 N 0.78 0.73 3.78 0.83 0.00 -0.24 -5.10 105.19 105.97 2k77 n GLY 128 Ca -0.02 0.00 -0.39 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 -1.58 4.37 0.44 1.61 1.01 -0.01 -4.95 120.40 121.30 2k77 s VAL 129 Ca 0.00 1.71 0.06 0.00 0.00 0.00 0.00 61.98 63.74 2k77 s VAL 129 Cb 0.00 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2k77 s VAL 129 CO 0.00 0.52 0.11 -0.94 0.00 0.00 0.00 175.10 174.80 2k77 s SER 130 N -1.13 4.22 0.50 3.32 1.04 -1.26 -3.03 113.70 117.35 2k77 s SER 130 Ca 0.36 -1.30 0.17 0.00 0.48 0.00 0.00 55.95 55.66 2k77 s SER 130 Cb -0.23 -0.18 1.23 0.00 0.10 0.00 0.00 66.02 66.94 2k77 s SER 130 CO 0.26 -0.63 2.08 -0.07 0.98 0.00 0.00 173.24 175.87 2k77 h LEU 131 N 1.46 0.09 0.08 2.42 4.07 -1.98 -1.32 115.31 120.13 2k77 h LEU 131 Ca -0.43 -0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.32 2k77 h LEU 131 Cb 1.27 -0.02 0.02 0.00 1.08 0.00 0.00 40.66 43.01 2k77 h LEU 131 CO 0.73 0.06 -0.88 0.78 -1.08 0.00 0.00 178.44 178.05 2k77 h ASN 132 N 0.10 0.63 -0.11 -0.43 2.35 -1.98 -1.55 115.58 114.59 2k77 h ASN 132 Ca 0.11 -0.84 -0.01 0.00 -0.55 0.00 0.00 56.30 55.01 2k77 h ASN 132 Cb 0.31 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 2k77 h ASN 132 CO -0.01 1.41 0.04 0.11 -1.65 0.00 0.00 177.43 177.32 2k77 h LYS 133 N -0.06 0.17 -0.27 0.81 1.57 -1.92 -1.93 116.57 114.94 2k77 h LYS 133 Ca -0.13 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 2k77 h LYS 133 Cb 1.62 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.89 2k77 h LYS 133 CO 0.17 0.31 -0.06 0.00 -0.57 0.00 0.00 179.45 179.30 2k77 h ALA 134 N 0.86 0.37 -0.06 3.86 0.00 -1.36 -2.35 119.26 120.58 2k77 h ALA 134 Ca 0.04 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2k77 h ALA 134 Cb 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2k77 h ALA 134 CO -0.00 0.18 -0.03 0.00 0.00 0.00 0.00 179.25 179.40 2k77 h ARG 135 N 0.28 -0.02 -0.68 0.00 3.08 -1.30 -1.33 114.38 114.40 2k77 h ARG 135 Ca 0.07 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 2k77 h ARG 135 Cb 0.54 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 2k77 h ARG 135 CO 0.03 -0.01 0.23 1.96 -1.07 0.00 0.00 179.97 181.11 2k77 h GLN 136 N -0.02 1.04 -0.31 0.04 4.20 -1.33 0.28 115.11 119.00 2k77 h GLN 136 Ca 0.03 -0.21 -0.18 0.00 0.06 0.00 0.00 58.65 58.35 2k77 h GLN 136 Cb 0.07 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 2k77 h GLN 136 CO -0.08 0.89 -0.51 1.96 -0.67 0.00 0.00 178.83 180.43 2k77 h GLN 137 N 0.98 0.89 -0.22 1.46 1.08 -1.35 -2.12 115.11 115.83 2k77 h GLN 137 Ca 0.22 -0.54 -0.08 0.00 -1.45 0.00 0.00 58.65 56.80 2k77 h GLN 137 Cb 0.27 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2k77 h GLN 137 CO -0.01 1.18 -0.17 0.28 -0.95 0.00 0.00 178.83 179.16 2k77 h VAL 138 N 0.70 1.32 0.00 -0.54 2.07 -1.09 -0.16 116.25 118.55 2k77 h VAL 138 Ca 0.03 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.19 2k77 h VAL 138 Cb 1.11 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2k77 h VAL 138 CO 0.12 0.40 -0.24 -0.07 0.02 0.00 0.00 177.57 177.80 2k77 h LEU 139 N 0.20 0.00 0.07 2.57 3.38 -1.00 -1.78 115.31 118.75 2k77 h LEU 139 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2k77 h LEU 139 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2k77 h LEU 139 CO 0.05 0.24 -0.04 1.56 0.09 0.00 0.00 178.44 180.34 2k77 h GLN 140 N 0.00 -0.10 0.00 1.13 4.20 -1.34 -3.40 115.11 115.61 2k77 h GLN 140 Ca -0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k77 h GLN 140 Cb 0.56 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2k77 h GLN 140 CO 0.03 0.30 0.00 1.25 -0.67 0.00 0.00 178.83 179.75 2k77 h LEU 141 N -0.97 0.00 0.00 1.46 5.85 -0.83 0.16 115.31 120.97 2k77 h LEU 141 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2k77 h LEU 141 Cb 0.45 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2k77 h LEU 141 CO 0.02 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.12 2k77 n LEU 142 N -2.67 0.00 0.00 2.25 -0.00 -0.68 -4.73 117.00 111.17 2k77 n LEU 142 Ca 0.01 0.39 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 2k77 n LEU 142 Cb 0.23 -0.39 0.00 0.00 -0.00 0.00 0.00 43.42 43.26 2k77 n LEU 142 CO 0.22 -0.21 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 2k77 n GLY 143 N -0.14 -0.44 0.30 1.47 0.00 -0.93 -5.05 105.19 100.40 2k77 n GLY 143 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 2k77 n GLY 143 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k77 n SER 144 N 0.00 1.55 0.00 1.61 2.88 0.40 -5.12 113.62 114.95 2k77 n SER 144 Ca 0.00 -1.28 0.06 0.00 -1.33 0.00 0.00 58.87 56.32 2k77 n SER 144 Cb 0.00 0.11 0.35 0.00 -0.75 0.00 0.00 64.21 63.92 2k77 n SER 144 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35