#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 2.37 0.16 2.12 0.00 -1.26 -5.03 119.30 117.66 2k77 s MET 2 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 55.69 55.56 2k77 s MET 2 Cb 0.00 -2.11 0.04 0.00 0.00 0.00 0.00 34.83 32.76 2k77 s MET 2 CO 0.00 -1.20 1.69 0.27 0.00 0.00 0.00 175.02 175.77 2k77 h PHE 3 N -0.65 0.83 0.00 3.16 -5.15 -1.98 -3.47 116.94 109.68 2k77 h PHE 3 Ca -0.45 -0.08 0.00 0.00 -0.20 0.00 0.00 57.97 57.24 2k77 h PHE 3 Cb 1.30 -0.24 0.00 0.00 0.22 0.00 0.00 35.95 37.23 2k77 h PHE 3 CO 0.38 0.71 0.00 0.41 -2.00 0.00 0.00 178.31 177.81 2k77 n GLY 4 N -0.71 0.24 3.79 6.09 0.00 -1.26 -4.99 105.19 108.35 2k77 n GLY 4 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.98 4.51 0.09 1.61 0.52 -1.26 -4.99 118.95 118.45 2k77 s ARG 5 Ca 0.00 1.18 0.10 0.00 -0.52 0.00 0.00 55.73 56.48 2k77 s ARG 5 Cb 0.00 -2.96 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 2k77 s ARG 5 CO 0.00 0.39 -0.25 -0.06 0.02 0.00 0.00 175.30 175.40 2k77 s PHE 6 N -1.46 2.16 0.96 -0.53 0.40 -1.26 -0.57 117.98 117.68 2k77 s PHE 6 Ca 0.45 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 56.27 2k77 s PHE 6 Cb -0.20 -1.22 0.17 0.00 0.51 0.00 0.00 43.02 42.28 2k77 s PHE 6 CO 0.24 0.23 1.09 0.95 0.70 0.00 0.00 175.22 178.43 2k77 s THR 7 N -0.98 2.39 0.27 0.64 -4.23 -0.39 -4.74 115.64 108.60 2k77 s THR 7 Ca 0.11 0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.71 2k77 s THR 7 Cb -0.10 -2.38 0.25 0.00 1.34 0.00 0.00 72.50 71.61 2k77 s THR 7 CO 0.04 -0.17 1.94 -0.08 -0.54 0.00 0.00 174.62 175.82 2k77 h GLU 8 N -1.88 1.19 -0.43 3.99 4.81 -1.99 0.00 114.58 120.28 2k77 h GLU 8 Ca -0.50 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 58.64 2k77 h GLU 8 Cb 1.29 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 2k77 h GLU 8 CO 0.50 0.80 0.26 0.00 -0.73 0.00 0.00 179.01 179.84 2k77 h ARG 9 N 1.23 0.59 -0.30 1.92 3.08 -1.97 -1.44 114.38 117.48 2k77 h ARG 9 Ca 0.33 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.26 2k77 h ARG 9 Cb -0.12 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 2k77 h ARG 9 CO -0.07 0.43 -0.09 0.00 -1.07 0.00 0.00 179.97 179.18 2k77 h ALA 10 N 1.12 0.42 -0.75 0.04 0.00 -1.74 -1.63 119.26 116.71 2k77 h ALA 10 Ca 0.16 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.83 2k77 h ALA 10 Cb -0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 2k77 h ALA 10 CO -0.03 0.25 0.49 1.96 0.00 0.00 0.00 179.25 181.93 2k77 h GLN 11 N 0.35 0.79 -0.46 0.00 4.20 -1.00 -1.92 115.11 117.08 2k77 h GLN 11 Ca 0.07 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.61 2k77 h GLN 11 Cb 0.58 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2k77 h GLN 11 CO 0.03 0.52 -0.21 -0.22 -0.67 0.00 0.00 178.83 178.29 2k77 h LYS 12 N 0.81 0.92 -0.56 1.46 1.63 -0.77 -0.51 116.57 119.55 2k77 h LYS 12 Ca 0.32 -0.38 -0.06 0.00 -0.85 0.00 0.00 60.65 59.69 2k77 h LYS 12 Cb 0.23 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.79 2k77 h LYS 12 CO -0.11 1.03 0.13 -0.39 -3.45 0.00 0.00 179.45 176.66 2k77 h VAL 13 N 0.80 1.23 -0.07 2.00 -1.51 -0.72 -0.61 116.25 117.38 2k77 h VAL 13 Ca 0.11 -0.85 -0.19 0.00 -1.23 0.00 0.00 66.70 64.54 2k77 h VAL 13 Cb 0.76 0.67 -0.00 0.00 -2.13 0.00 0.00 31.29 30.58 2k77 h VAL 13 CO 0.06 0.32 -0.75 -0.07 -1.23 0.00 0.00 177.57 175.90 2k77 h LEU 14 N 0.84 0.46 -0.62 4.19 3.38 -1.21 0.57 115.31 122.92 2k77 h LEU 14 Ca 0.18 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 2k77 h LEU 14 Cb 0.32 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2k77 h LEU 14 CO 0.00 1.06 0.04 0.00 0.09 0.00 0.00 178.44 179.62 2k77 h ALA 15 N 0.93 0.83 0.00 1.53 0.00 -0.95 -2.75 119.26 118.85 2k77 h ALA 15 Ca -0.03 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 2k77 h ALA 15 Cb 1.33 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2k77 h ALA 15 CO 0.13 0.64 -0.31 -0.07 0.00 0.00 0.00 179.25 179.64 2k77 h LEU 16 N 0.97 0.00 -0.94 0.00 3.38 -1.01 -2.12 115.31 115.59 2k77 h LEU 16 Ca 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 2k77 h LEU 16 Cb 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2k77 h LEU 16 CO 0.02 0.31 -0.09 0.00 0.09 0.00 0.00 178.44 178.77 2k77 h ALA 17 N 1.69 1.11 -0.19 1.53 0.00 -0.74 0.47 119.26 123.15 2k77 h ALA 17 Ca -0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 2k77 h ALA 17 Cb 0.93 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2k77 h ALA 17 CO 0.04 0.56 -0.07 0.37 0.00 0.00 0.00 179.25 180.15 2k77 h GLN 18 N 0.62 0.37 -0.62 0.00 4.15 -1.24 -1.20 115.11 117.19 2k77 h GLN 18 Ca 0.11 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 2k77 h GLN 18 Cb 0.52 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 2k77 h GLN 18 CO 0.03 0.66 0.34 1.49 -1.93 0.00 0.00 178.83 179.42 2k77 h GLU 19 N 0.07 0.86 -0.15 1.69 4.81 -1.25 -1.61 114.58 119.00 2k77 h GLU 19 Ca 0.04 -0.10 -0.13 0.00 -0.13 0.00 0.00 59.36 59.04 2k77 h GLU 19 Cb 0.53 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2k77 h GLU 19 CO 0.02 0.65 -0.48 0.93 -0.73 0.00 0.00 179.01 179.40 2k77 h GLU 20 N 0.84 0.39 0.16 1.92 4.39 -0.93 0.96 114.58 122.31 2k77 h GLU 20 Ca 0.22 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k77 h GLU 20 Cb 0.04 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2k77 h GLU 20 CO -0.03 0.79 -0.13 0.00 -1.16 0.00 0.00 179.01 178.47 2k77 h ALA 21 N 1.17 -0.28 -0.32 3.43 0.00 -1.03 -1.69 119.26 120.55 2k77 h ALA 21 Ca 0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2k77 h ALA 21 Cb 0.97 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2k77 h ALA 21 CO 0.08 -0.67 -0.01 -0.07 0.00 0.00 0.00 179.25 178.58 2k77 h LEU 22 N -0.31 0.46 -1.09 0.00 3.38 -1.10 0.29 115.31 116.94 2k77 h LEU 22 Ca -0.00 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2k77 h LEU 22 Cb 0.28 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2k77 h LEU 22 CO -0.02 0.53 0.09 -0.09 0.09 0.00 0.00 178.44 179.04 2k77 h ARG 23 N 0.47 0.73 -0.00 1.13 1.12 -0.64 -2.05 114.38 115.14 2k77 h ARG 23 Ca 0.10 -0.15 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 2k77 h ARG 23 Cb 0.32 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.17 2k77 h ARG 23 CO 0.01 0.68 -0.00 1.28 -3.11 0.00 0.00 179.97 178.83 2k77 n LEU 24 N -4.28 0.00 -0.28 3.80 4.77 -0.65 -4.93 117.00 115.44 2k77 n LEU 24 Ca 0.03 0.24 -0.04 0.00 -0.03 0.00 0.00 56.01 56.21 2k77 n LEU 24 Cb 0.23 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2k77 n LEU 24 CO 0.40 0.00 -0.03 0.61 -1.33 0.00 0.00 177.39 177.03 2k77 n GLY 25 N 1.24 0.66 3.91 -0.72 0.00 -0.77 -1.23 105.19 108.28 2k77 n GLY 25 Ca 0.16 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.11 3.48 -0.23 1.61 3.76 0.05 -0.86 115.29 120.98 2k77 s HIS 26 Ca 0.00 0.59 0.14 0.00 -0.15 0.00 0.00 55.06 55.64 2k77 s HIS 26 Cb 0.00 -2.05 0.46 0.00 1.11 0.00 0.00 32.58 32.09 2k77 s HIS 26 CO 0.00 0.23 1.17 0.27 -0.85 0.00 0.00 174.74 175.57 2k77 n ASN 27 N -0.79 2.94 -3.80 1.40 2.04 -1.23 -2.82 115.26 112.99 2k77 n ASN 27 Ca -0.02 -3.15 -0.13 0.00 -0.44 0.00 0.00 54.58 50.84 2k77 n ASN 27 Cb 0.54 -0.41 -0.12 0.00 -2.53 0.00 0.00 39.78 37.26 2k77 n ASN 27 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 2k77 s ASN 28 N -3.38 -0.22 -0.29 0.53 6.03 -1.26 -3.50 114.94 112.86 2k77 s ASN 28 Ca 0.40 0.42 -0.24 0.00 -1.03 0.00 0.00 52.86 52.41 2k77 s ASN 28 Cb 0.38 0.43 -0.00 0.00 -3.03 0.00 0.00 41.25 39.03 2k77 s ASN 28 CO -0.03 -0.08 0.79 -0.63 -2.03 0.00 0.00 177.10 175.12 2k77 s ILE 29 N 0.07 4.82 0.60 0.54 1.01 0.10 -4.91 121.20 123.43 2k77 s ILE 29 Ca -0.00 1.28 0.07 0.00 0.00 0.00 0.00 60.65 62.00 2k77 s ILE 29 Cb -0.02 -4.12 0.09 0.00 0.01 0.00 0.00 42.46 38.42 2k77 s ILE 29 CO 0.00 -0.19 0.83 -0.83 0.00 0.00 0.00 174.94 174.75 2k77 s GLY 30 N 1.54 1.75 0.28 6.18 0.00 -1.26 -1.43 107.32 114.38 2k77 s GLY 30 Ca 0.33 -2.02 0.00 0.00 0.00 0.00 0.00 44.72 43.03 2k77 s GLY 30 CO 0.11 -1.55 1.87 -0.91 0.00 0.00 0.00 173.10 172.62 2k77 h THR 31 N 0.04 1.02 -0.54 0.90 1.35 -1.92 -1.72 112.91 112.04 2k77 h THR 31 Ca -0.32 -0.37 0.11 0.00 -0.55 0.00 0.00 66.41 65.28 2k77 h THR 31 Cb 1.28 -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 -0.08 1.05 -0.25 0.00 0.00 175.52 176.84 2k77 h GLU 32 N 1.07 0.04 -0.00 4.72 9.09 -1.95 -0.59 114.58 126.96 2k77 h GLU 32 Ca 0.45 -0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.71 2k77 h GLU 32 Cb 0.30 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.37 2k77 h GLU 32 CO -0.20 0.03 -0.66 0.45 0.05 0.00 0.00 179.01 178.67 2k77 h HIS 33 N 0.04 0.02 -0.31 2.06 3.86 -1.69 -0.13 115.15 119.01 2k77 h HIS 33 Ca 0.27 -0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.35 2k77 h HIS 33 Cb 0.41 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 2k77 h HIS 33 CO -0.40 0.67 -0.25 0.82 0.86 0.00 0.00 177.93 179.63 2k77 h ILE 34 N 0.01 1.30 -0.60 2.45 2.04 -1.06 0.14 117.51 121.78 2k77 h ILE 34 Ca -0.01 -1.40 -0.08 0.00 1.00 0.00 0.00 64.86 64.37 2k77 h ILE 34 Cb 1.18 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 2k77 h ILE 34 CO 0.09 0.45 0.07 0.25 0.00 0.00 0.00 178.15 179.01 2k77 h LEU 35 N 0.48 0.98 -0.90 1.44 5.85 -0.98 -0.80 115.31 121.38 2k77 h LEU 35 Ca 0.06 -0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.42 2k77 h LEU 35 Cb 0.81 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2k77 h LEU 35 CO 0.07 1.01 -0.05 0.25 -0.34 0.00 0.00 178.44 179.37 2k77 h LEU 36 N 0.92 0.73 -0.90 2.25 5.85 -1.00 -2.83 115.31 120.33 2k77 h LEU 36 Ca 0.18 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2k77 h LEU 36 Cb 0.46 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 2k77 h LEU 36 CO 0.02 0.83 0.48 1.23 -0.34 0.00 0.00 178.44 180.66 2k77 h GLY 37 N 0.97 1.35 0.69 3.75 0.00 -0.39 -0.39 103.07 109.04 2k77 h GLY 37 Ca 0.13 -0.62 0.02 0.00 0.00 0.00 0.00 47.33 46.86 2k77 h GLY 37 CO 0.03 0.60 -0.13 1.41 0.00 0.00 0.00 176.54 178.45 2k77 h LEU 38 N 1.26 -0.37 -0.74 3.11 3.38 -0.92 -0.85 115.31 120.18 2k77 h LEU 38 Ca 0.31 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.22 2k77 h LEU 38 Cb 0.04 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2k77 h LEU 38 CO -0.05 -0.18 -0.54 -0.37 0.09 0.00 0.00 178.44 177.39 2k77 h VAL 39 N -0.22 1.22 -0.12 1.22 -1.51 -1.38 -1.30 116.25 114.16 2k77 h VAL 39 Ca 0.04 -1.98 -0.08 0.00 -1.23 0.00 0.00 66.70 63.45 2k77 h VAL 39 Cb 0.27 2.12 -0.01 0.00 -2.13 0.00 0.00 31.29 31.54 2k77 h VAL 39 CO -0.12 0.53 -0.30 -0.09 -1.23 0.00 0.00 177.57 176.36 2k77 h ARG 40 N 0.00 0.23 0.02 5.19 9.65 -0.93 -3.19 114.38 125.36 2k77 h ARG 40 Ca -0.01 -0.09 -0.09 0.00 -1.10 0.00 0.00 59.98 58.69 2k77 h ARG 40 Cb 1.08 -0.02 0.01 0.00 -1.39 0.00 0.00 29.97 29.65 2k77 h ARG 40 CO 0.07 0.52 -0.38 1.49 2.80 0.00 0.00 179.97 184.47 2k77 h GLU 41 N 0.21 0.21 0.00 0.20 4.22 -0.95 -3.48 114.58 114.99 2k77 h GLU 41 Ca 0.03 -0.26 0.00 0.00 0.08 0.00 0.00 59.36 59.21 2k77 h GLU 41 Cb 0.64 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2k77 h GLU 41 CO 0.05 1.02 0.00 0.41 -2.18 0.00 0.00 179.01 178.31 2k77 n GLY 42 N 1.24 0.33 0.00 1.92 0.00 -0.51 -4.73 105.19 103.44 2k77 n GLY 42 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.00 4.89 -1.32 1.61 1.02 -1.26 -4.67 120.64 118.92 2k77 n GLU 43 Ca 0.00 -0.11 -0.32 0.00 -0.02 0.00 0.00 57.16 56.71 2k77 n GLU 43 Cb 0.00 -0.60 0.09 0.00 -0.02 0.00 0.00 31.44 30.91 2k77 n GLU 43 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k77 s GLY 44 N -0.73 1.85 0.24 0.62 0.00 -1.26 -4.89 107.32 103.15 2k77 s GLY 44 Ca 0.00 0.43 -0.05 0.00 0.00 0.00 0.00 44.72 45.10 2k77 s GLY 44 CO 0.00 0.79 1.88 -2.22 0.00 0.00 0.00 173.10 173.55 2k77 h ILE 45 N -0.88 1.12 -0.57 0.90 1.08 -1.95 -1.29 117.51 115.92 2k77 h ILE 45 Ca -0.45 -0.38 -0.06 0.00 -0.39 0.00 0.00 64.86 63.58 2k77 h ILE 45 Cb 1.25 -0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 34.88 2k77 h ILE 45 CO 0.50 0.20 0.11 0.00 -0.69 0.00 0.00 178.15 178.27 2k77 h ALA 46 N 1.39 0.76 -0.51 1.87 0.00 -1.91 0.56 119.26 121.42 2k77 h ALA 46 Ca 0.37 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2k77 h ALA 46 Cb 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2k77 h ALA 46 CO -0.14 0.50 0.10 0.00 0.00 0.00 0.00 179.25 179.71 2k77 h ALA 47 N 1.01 0.68 -0.68 0.00 0.00 -1.75 -0.22 119.26 118.30 2k77 h ALA 47 Ca 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2k77 h ALA 47 Cb 0.40 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2k77 h ALA 47 CO 0.01 0.40 0.31 -0.22 0.00 0.00 0.00 179.25 179.75 2k77 h LYS 48 N 0.73 0.97 -0.48 0.00 3.64 -1.10 -1.69 116.57 118.64 2k77 h LYS 48 Ca 0.16 -0.14 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 2k77 h LYS 48 Cb 0.38 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2k77 h LYS 48 CO 0.01 0.77 -0.07 0.00 -2.27 0.00 0.00 179.45 177.88 2k77 h ALA 49 N 1.37 0.65 -0.22 5.00 0.00 -0.57 -0.05 119.26 125.44 2k77 h ALA 49 Ca 0.23 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2k77 h ALA 49 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2k77 h ALA 49 CO -0.03 0.52 0.12 -0.07 0.00 0.00 0.00 179.25 179.80 2k77 h LEU 50 N 0.74 0.20 -0.96 0.00 3.38 -0.77 -1.99 115.31 115.91 2k77 h LEU 50 Ca 0.13 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 2k77 h LEU 50 Cb 0.61 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2k77 h LEU 50 CO 0.04 0.15 -0.39 1.56 0.09 0.00 0.00 178.44 179.89 2k77 h GLN 51 N 0.26 0.26 -0.24 1.13 7.50 -1.25 -2.40 115.11 120.37 2k77 h GLN 51 Ca 0.09 -0.12 -0.04 0.00 0.50 0.00 0.00 58.65 59.07 2k77 h GLN 51 Cb 0.00 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.51 2k77 h GLN 51 CO -0.04 0.62 -0.04 0.00 -1.50 0.00 0.00 178.83 177.86 2k77 h ALA 52 N 1.38 1.48 0.00 3.87 0.00 -0.78 -1.69 119.26 123.52 2k77 h ALA 52 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k77 h ALA 52 Cb 0.79 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2k77 h ALA 52 CO 0.06 0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.96 2k77 n LEU 53 N -4.30 0.00 0.00 0.00 4.77 -0.77 -4.88 117.00 111.82 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 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2k77 n LEU 53 CO 0.38 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2k77 n GLY 54 N 0.38 0.74 2.72 -0.72 0.00 -0.63 -4.99 105.19 102.68 2k77 n GLY 54 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.51 0.99 4.77 -0.94 -4.99 117.00 113.32 2k77 n LEU 55 Ca 0.00 -1.02 -0.09 0.00 -0.03 0.00 0.00 56.01 54.87 2k77 n LEU 55 Cb 0.00 -0.72 -0.02 0.00 -2.33 0.00 0.00 43.42 40.35 2k77 n LEU 55 CO 0.00 -1.19 0.59 -0.83 -1.33 0.00 0.00 177.39 174.63 2k77 s GLY 56 N -5.02 -0.48 0.20 -0.72 0.00 -1.26 -4.41 107.32 95.64 2k77 s GLY 56 Ca 0.53 0.75 -0.10 0.00 0.00 0.00 0.00 44.72 45.90 2k77 s GLY 56 CO 0.37 0.24 1.83 1.48 0.00 0.00 0.00 173.10 177.02 2k77 h SER 57 N 2.00 0.63 -0.64 1.64 4.64 -1.99 -1.65 113.55 118.18 2k77 h SER 57 Ca -0.26 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 60.99 2k77 h SER 57 Cb 1.26 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.21 2k77 h SER 57 CO 0.32 0.42 0.08 -0.08 -0.87 0.00 0.00 176.83 176.70 2k77 h GLU 58 N 0.76 1.09 -0.07 4.77 4.81 -1.97 -0.52 114.58 123.44 2k77 h GLU 58 Ca 0.28 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2k77 h GLU 58 Cb 0.09 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 2k77 h GLU 58 CO -0.14 1.01 0.02 0.87 -0.73 0.00 0.00 179.01 180.04 2k77 h LYS 59 N 1.01 0.12 -0.31 1.92 1.57 -1.84 -0.61 116.57 118.43 2k77 h LYS 59 Ca 0.19 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.83 2k77 h LYS 59 Cb 0.47 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2k77 h LYS 59 CO 0.02 0.31 -0.24 0.82 -0.57 0.00 0.00 179.45 179.78 2k77 h ILE 60 N -0.09 1.30 -0.75 1.86 2.04 -1.33 -2.62 117.51 117.92 2k77 h ILE 60 Ca 0.02 -1.39 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 2k77 h ILE 60 Cb 0.24 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 2k77 h ILE 60 CO 0.00 0.45 0.44 -0.61 0.00 0.00 0.00 178.15 178.43 2k77 h GLN 61 N 0.47 1.02 -0.25 2.37 4.15 -1.06 -0.39 115.11 121.43 2k77 h GLN 61 Ca 0.06 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 2k77 h GLN 61 Cb 0.80 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 2k77 h GLN 61 CO 0.06 0.73 0.15 -0.22 -1.93 0.00 0.00 178.83 177.63 2k77 h LYS 62 N 1.03 0.34 0.00 1.69 1.63 -1.06 -0.47 116.57 119.73 2k77 h LYS 62 Ca 0.27 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.93 2k77 h LYS 62 Cb -0.02 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 2k77 h LYS 62 CO -0.05 0.27 -0.49 0.93 -3.45 0.00 0.00 179.45 176.66 2k77 h GLU 63 N 0.32 0.00 0.44 1.90 4.39 -1.25 -1.00 114.58 119.37 2k77 h GLU 63 Ca 0.09 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 2k77 h GLU 63 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2k77 h GLU 63 CO -0.02 0.49 -0.21 0.28 -1.16 0.00 0.00 179.01 178.39 2k77 h VAL 64 N 0.00 0.46 -0.16 3.13 2.07 -0.91 -3.26 116.25 117.59 2k77 h VAL 64 Ca -0.00 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 2k77 h VAL 64 Cb 0.92 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2k77 h VAL 64 CO 0.06 0.07 -0.15 -0.33 0.02 0.00 0.00 177.57 177.25 2k77 h GLU 65 N -0.91 0.25 0.00 1.57 5.08 -0.98 -1.78 114.58 117.81 2k77 h GLU 65 Ca -0.06 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2k77 h GLU 65 Cb 0.57 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2k77 h GLU 65 CO 0.10 0.41 0.00 0.66 -1.00 0.00 0.00 179.01 179.18 2k77 h SER 66 N 0.24 0.00 0.16 1.42 4.64 -1.30 -1.02 113.55 117.68 2k77 h SER 66 Ca 0.05 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.02 2k77 h SER 66 Cb 0.42 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.45 2k77 h SER 66 CO 0.03 0.00 -2.16 0.18 -0.87 0.00 0.00 176.83 174.01 2k77 n LEU 67 N -2.92 1.02 -0.00 5.97 4.77 -0.73 -4.68 117.00 120.42 2k77 n LEU 67 Ca 0.01 0.12 0.05 0.00 -0.03 0.00 0.00 56.01 56.17 2k77 n LEU 67 Cb 0.32 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.33 2k77 n LEU 67 CO 0.27 0.58 -0.51 2.30 -1.33 0.00 0.00 177.39 178.69 2k77 n ILE 68 N -3.00 0.00 -4.83 -0.08 -5.35 -0.82 -5.13 119.36 100.15 2k77 n ILE 68 Ca -0.30 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 2k77 n ILE 68 Cb 1.09 0.40 0.00 0.00 -1.74 0.00 0.00 39.64 39.39 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 1.75 -0.62 3.36 3.28 0.00 -0.39 -4.95 105.19 107.62 2k77 n GLY 69 Ca -0.01 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 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 1.34 -0.04 1.61 0.52 -1.26 -4.94 118.95 116.18 2k77 s ARG 70 Ca 0.00 -1.41 -0.00 0.00 -0.52 0.00 0.00 55.73 53.80 2k77 s ARG 70 Cb 0.00 -1.54 0.00 0.00 0.52 0.00 0.00 34.95 33.93 2k77 s ARG 70 CO 0.00 0.33 0.01 0.41 0.02 0.00 0.00 175.30 176.07 2k77 n GLY 71 N 0.43 -3.10 2.49 -3.53 0.00 -0.37 -5.02 105.19 96.09 2k77 n GLY 71 Ca -0.14 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 2k77 n GLY 71 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k77 n GLN 72 N 0.14 1.08 -2.94 1.61 7.27 -0.04 -4.95 117.38 119.55 2k77 n GLN 72 Ca -0.02 -3.29 -0.40 0.00 0.07 0.00 0.00 57.00 53.36 2k77 n GLN 72 Cb 0.02 -1.40 -0.05 0.00 2.41 0.00 0.00 30.24 31.22 2k77 n GLN 72 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2k77 s GLU 73 N -2.87 4.56 0.00 3.69 2.02 -1.18 -3.57 118.70 121.35 2k77 s GLU 73 Ca 0.32 1.17 0.00 0.00 0.02 0.00 0.00 54.97 56.47 2k77 s GLU 73 Cb 0.42 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 31.33 2k77 s GLU 73 CO -0.00 0.39 0.50 -1.33 0.02 0.00 0.00 175.26 174.83 2k77 n MET 74 N 2.31 0.51 -3.40 1.61 2.81 -1.26 -5.05 117.12 114.65 2k77 n MET 74 Ca -0.03 -0.60 -0.18 0.00 -1.81 0.00 0.00 57.70 55.09 2k77 n MET 74 Cb 0.49 -0.64 0.07 0.00 -0.71 0.00 0.00 33.22 32.44 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 -0.10 -4.32 -3.70 7.83 7.64 -1.26 -5.03 113.62 114.67 2k77 n SER 75 Ca 0.00 -0.72 -0.11 0.00 1.01 0.00 0.00 58.87 59.05 2k77 n SER 75 Cb 0.36 -4.88 -0.05 0.00 -1.01 0.00 0.00 64.21 58.63 2k77 n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k77 s GLN 76 N -5.05 1.68 0.97 1.43 -2.07 -1.26 -5.18 119.66 110.18 2k77 s GLN 76 Ca 0.25 -1.46 -0.14 0.00 -1.82 0.00 0.00 55.36 52.19 2k77 s GLN 76 Cb -0.04 0.45 0.18 0.00 -1.09 0.00 0.00 33.01 32.51 2k77 s GLN 76 CO 0.76 -0.70 1.17 -0.08 -1.32 0.00 0.00 175.29 175.12 2k77 s THR 77 N -3.61 1.92 0.32 3.63 -1.32 -1.26 -4.85 115.64 110.47 2k77 s THR 77 Ca 0.26 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.46 2k77 s THR 77 Cb -0.00 -2.76 -0.09 0.00 -1.51 0.00 0.00 72.50 68.13 2k77 s THR 77 CO 0.13 0.00 1.08 -0.63 -2.21 0.00 0.00 174.62 172.99 2k77 s ILE 78 N -3.37 3.58 0.18 5.08 1.09 -1.26 -4.83 121.20 121.68 2k77 s ILE 78 Ca 0.67 1.46 0.07 0.00 -1.10 0.00 0.00 60.65 61.76 2k77 s ILE 78 Cb -0.11 -3.88 -0.04 0.00 -1.06 0.00 0.00 42.46 37.36 2k77 s ILE 78 CO 0.54 0.25 -0.15 -1.00 -0.10 0.00 0.00 174.94 174.48 2k77 s HIS 79 N -1.33 1.66 -0.02 3.97 3.76 -1.23 -5.00 115.29 117.11 2k77 s HIS 79 Ca 0.49 -0.56 -0.14 0.00 -0.15 0.00 0.00 55.06 54.69 2k77 s HIS 79 Cb -0.28 -0.80 -0.05 0.00 1.11 0.00 0.00 32.58 32.55 2k77 s HIS 79 CO 0.36 0.31 0.39 0.71 -0.85 0.00 0.00 174.74 175.66 2k77 s TYR 80 N -2.72 3.71 0.86 1.40 1.51 -1.26 -0.72 117.35 120.13 2k77 s TYR 80 Ca 0.19 0.94 -0.11 0.00 -1.01 0.00 0.00 57.07 57.08 2k77 s TYR 80 Cb -0.02 -2.27 0.11 0.00 -0.11 0.00 0.00 41.96 39.67 2k77 s TYR 80 CO 0.06 0.63 1.10 0.95 -1.11 0.00 0.00 175.55 177.17 2k77 s THR 81 N -0.98 2.81 0.43 -0.71 -4.23 -0.51 -4.76 115.64 107.69 2k77 s THR 81 Ca 0.23 0.26 0.13 0.00 -1.18 0.00 0.00 61.69 61.13 2k77 s THR 81 Cb -0.16 -2.66 0.33 0.00 1.34 0.00 0.00 72.50 71.34 2k77 s THR 81 CO 0.12 -0.34 1.98 -0.65 -0.54 0.00 0.00 174.62 175.18 2k77 h PRO 82 N -1.48 0.42 -0.18 3.99 0.11 -1.99 0.79 132.00 133.66 2k77 h PRO 82 Ca -0.47 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 2k77 h PRO 82 Cb 1.26 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2k77 h PRO 82 CO 0.51 0.28 -0.10 0.00 -0.21 0.00 0.00 178.00 178.48 2k77 h ARG 83 N 0.43 0.39 -0.46 1.05 3.08 -1.94 -1.54 114.38 115.39 2k77 h ARG 83 Ca 0.28 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 2k77 h ARG 83 Cb 0.54 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 2k77 h ARG 83 CO -0.08 0.70 -0.19 0.00 -1.07 0.00 0.00 179.97 179.33 2k77 h ALA 84 N 0.68 0.78 -0.67 0.04 0.00 -1.69 -0.56 119.26 117.84 2k77 h ALA 84 Ca 0.04 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.60 2k77 h ALA 84 Cb 0.60 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2k77 h ALA 84 CO 0.03 0.66 0.41 -0.22 0.00 0.00 0.00 179.25 180.13 2k77 h LYS 85 N 0.80 0.79 -0.44 0.00 3.64 -0.88 -0.04 116.57 120.45 2k77 h LYS 85 Ca 0.11 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.34 2k77 h LYS 85 Cb 0.75 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 2k77 h LYS 85 CO 0.06 0.52 -0.16 -0.22 -2.27 0.00 0.00 179.45 177.38 2k77 h LYS 86 N 0.81 0.83 -0.41 1.90 3.64 -1.02 -1.33 116.57 120.99 2k77 h LYS 86 Ca 0.27 -0.31 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2k77 h LYS 86 Cb 0.02 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 2k77 h LYS 86 CO -0.11 0.93 0.24 0.28 -2.27 0.00 0.00 179.45 178.52 2k77 h VAL 87 N 0.74 1.03 -0.65 2.00 2.07 -0.73 0.41 116.25 121.13 2k77 h VAL 87 Ca 0.11 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2k77 h VAL 87 Cb 0.67 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2k77 h VAL 87 CO 0.05 0.09 0.35 0.40 0.02 0.00 0.00 177.57 178.48 2k77 h ILE 88 N 0.48 1.21 -0.24 4.57 1.08 -0.71 0.16 117.51 124.05 2k77 h ILE 88 Ca 0.17 -0.53 -0.12 0.00 -0.39 0.00 0.00 64.86 63.99 2k77 h ILE 88 Cb 0.02 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.13 2k77 h ILE 88 CO -0.08 0.23 -0.34 -0.33 -0.69 0.00 0.00 178.15 176.93 2k77 h GLU 89 N 0.89 0.52 -0.05 2.37 5.08 -1.09 -2.98 114.58 119.32 2k77 h GLU 89 Ca 0.23 -0.23 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 2k77 h GLU 89 Cb 0.05 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2k77 h GLU 89 CO -0.04 0.79 -0.61 -0.07 -1.00 0.00 0.00 179.01 178.09 2k77 h LEU 90 N 0.44 0.18 -0.71 1.33 3.38 -0.54 -2.91 115.31 116.48 2k77 h LEU 90 Ca 0.05 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2k77 h LEU 90 Cb 0.81 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2k77 h LEU 90 CO 0.07 0.75 0.33 0.28 0.09 0.00 0.00 178.44 179.96 2k77 h SER 91 N 0.12 0.94 1.11 -0.43 0.02 -0.54 0.14 113.55 114.91 2k77 h SER 91 Ca -0.01 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.74 2k77 h SER 91 Cb 1.10 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 2k77 h SER 91 CO 0.09 0.82 -0.29 0.00 -1.14 0.00 0.00 176.83 176.31 2k77 h MET 92 N 1.00 0.00 -0.18 3.45 -0.00 -1.60 -1.89 114.93 115.71 2k77 h MET 92 Ca 0.24 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.76 2k77 h MET 92 Cb 0.13 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.74 2k77 h MET 92 CO -0.03 0.29 -0.62 0.22 -0.00 0.00 0.00 176.91 176.77 2k77 h ASP 93 N 0.00 0.86 -0.13 -0.10 3.58 -1.13 -1.47 116.42 118.04 2k77 h ASP 93 Ca -0.00 -0.60 -0.05 0.00 0.42 0.00 0.00 57.03 56.80 2k77 h ASP 93 Cb 0.93 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.71 2k77 h ASP 93 CO 0.04 1.31 -0.07 -0.33 -2.88 0.00 0.00 179.24 177.31 2k77 h GLU 94 N 0.46 0.42 -0.23 0.28 4.39 -0.71 -0.52 114.58 118.67 2k77 h GLU 94 Ca -0.03 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 2k77 h GLU 94 Cb 1.24 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 2k77 h GLU 94 CO 0.13 0.50 0.06 0.00 -1.16 0.00 0.00 179.01 178.54 2k77 h ALA 95 N 1.54 0.30 0.00 3.43 0.00 -1.32 -3.14 119.26 120.07 2k77 h ALA 95 Ca 0.08 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2k77 h ALA 95 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2k77 h ALA 95 CO 0.02 -0.05 -0.32 0.07 0.00 0.00 0.00 179.25 178.96 2k77 h ARG 96 N 0.19 0.00 -0.53 0.00 0.11 -0.90 -0.49 114.38 112.77 2k77 h ARG 96 Ca 0.07 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.17 2k77 h ARG 96 Cb 0.27 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.33 2k77 h ARG 96 CO 0.00 0.32 0.35 0.87 0.10 0.00 0.00 179.97 181.61 2k77 h LYS 97 N 0.00 0.66 -0.00 0.08 1.57 -1.12 -1.61 116.57 116.14 2k77 h LYS 97 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2k77 h LYS 97 Cb 0.85 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.01 2k77 h LYS 97 CO 0.04 0.44 -0.11 1.28 -0.57 0.00 0.00 179.45 180.53 2k77 n LEU 98 N -4.46 0.52 -0.77 2.94 4.32 -0.88 -4.94 117.00 113.72 2k77 n LEU 98 Ca 0.05 -0.02 -0.10 0.00 -0.02 0.00 0.00 56.01 55.92 2k77 n LEU 98 Cb 0.08 -0.17 -0.04 0.00 -1.62 0.00 0.00 43.42 41.67 2k77 n LEU 98 CO 0.35 0.09 -0.10 0.61 -1.22 0.00 0.00 177.39 177.13 2k77 n GLY 99 N 1.27 1.13 3.73 -0.72 0.00 -0.61 -5.01 105.19 104.98 2k77 n GLY 99 Ca 0.15 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.29 3.73 -1.82 1.61 5.04 -0.24 -4.96 115.29 116.35 2k77 s HIS 100 Ca 0.00 1.72 0.28 0.00 -1.54 0.00 0.00 55.06 55.52 2k77 s HIS 100 Cb 0.00 -3.13 1.59 0.00 0.04 0.00 0.00 32.58 31.08 2k77 s HIS 100 CO 0.00 -0.06 2.00 0.43 -2.34 0.00 0.00 174.74 174.77 2k77 n SER 101 N 2.92 0.00 -3.61 9.88 7.64 -1.26 -4.35 113.62 124.85 2k77 n SER 101 Ca 0.03 -0.64 -0.10 0.00 1.01 0.00 0.00 58.87 59.18 2k77 n SER 101 Cb 0.49 -0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.58 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 -2.18 -0.39 -0.34 1.43 -0.85 -1.26 -4.69 117.35 109.07 2k77 s TYR 102 Ca 0.37 0.08 -0.20 0.00 -0.52 0.00 0.00 57.07 56.79 2k77 s TYR 102 Cb 0.19 0.62 -0.00 0.00 0.38 0.00 0.00 41.96 43.15 2k77 s TYR 102 CO 0.35 -1.00 0.63 0.08 -1.52 0.00 0.00 175.55 174.09 2k77 s VAL 103 N -3.80 4.90 0.74 -3.49 1.01 0.27 -4.89 120.40 115.15 2k77 s VAL 103 Ca 0.05 0.64 -0.06 0.00 0.00 0.00 0.00 61.98 62.62 2k77 s VAL 103 Cb -0.03 -4.05 0.10 0.00 0.00 0.00 0.00 36.38 32.39 2k77 s VAL 103 CO -0.05 -0.27 1.04 -0.83 0.00 0.00 0.00 175.10 174.99 2k77 s GLY 104 N 1.75 1.73 0.30 4.51 0.00 -1.26 -1.27 107.32 113.09 2k77 s GLY 104 Ca 0.24 -1.20 -0.00 0.00 0.00 0.00 0.00 44.72 43.77 2k77 s GLY 104 CO 0.14 -0.70 1.93 -0.91 0.00 0.00 0.00 173.10 173.56 2k77 h THR 105 N -0.69 1.11 -0.41 0.90 1.35 -1.94 -1.35 112.91 111.88 2k77 h THR 105 Ca -0.42 -0.36 0.09 0.00 -0.55 0.00 0.00 66.41 65.16 2k77 h THR 105 Cb 1.29 -0.03 -0.09 0.00 -1.73 0.00 0.00 68.15 67.59 2k77 h THR 105 CO 0.51 0.19 -0.21 1.05 -0.25 0.00 0.00 175.52 176.81 2k77 h GLU 106 N 1.05 -0.13 -0.01 4.72 9.09 -1.95 -1.43 114.58 125.93 2k77 h GLU 106 Ca 0.36 0.01 -0.12 0.00 0.05 0.00 0.00 59.36 59.66 2k77 h GLU 106 Cb 0.09 0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.20 2k77 h GLU 106 CO -0.12 -0.09 -0.54 0.45 0.05 0.00 0.00 179.01 178.76 2k77 h HIS 107 N -0.13 0.03 -0.24 2.06 3.86 -1.69 -1.47 115.15 117.56 2k77 h HIS 107 Ca 0.20 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2k77 h HIS 107 Cb 0.44 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 2k77 h HIS 107 CO -0.45 0.56 0.14 0.82 0.86 0.00 0.00 177.93 179.86 2k77 h ILE 108 N 0.02 1.10 -0.63 2.45 2.04 -0.87 -1.14 117.51 120.47 2k77 h ILE 108 Ca -0.00 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 2k77 h ILE 108 Cb 0.97 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 2k77 h ILE 108 CO 0.07 0.10 0.19 0.25 0.00 0.00 0.00 178.15 178.77 2k77 h LEU 109 N 0.29 0.92 -1.20 1.44 5.85 -0.93 -1.26 115.31 120.42 2k77 h LEU 109 Ca 0.09 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.66 2k77 h LEU 109 Cb 0.04 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.77 2k77 h LEU 109 CO -0.01 0.89 0.56 -0.07 -0.34 0.00 0.00 178.44 179.46 2k77 h LEU 110 N 0.91 0.85 -0.73 2.25 3.38 -1.17 -1.71 115.31 119.08 2k77 h LEU 110 Ca 0.20 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 2k77 h LEU 110 Cb 0.30 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2k77 h LEU 110 CO -0.01 0.54 0.29 1.23 0.09 0.00 0.00 178.44 180.58 2k77 h GLY 111 N 0.96 1.18 1.21 0.83 0.00 -0.53 -0.81 103.07 105.93 2k77 h GLY 111 Ca 0.37 -0.65 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 2k77 h GLY 111 CO -0.14 0.61 0.13 1.41 0.00 0.00 0.00 176.54 178.56 2k77 h LEU 112 N 1.06 0.92 0.01 3.11 3.38 -0.40 -1.45 115.31 121.94 2k77 h LEU 112 Ca 0.24 -0.19 -0.24 0.00 0.09 0.00 0.00 57.88 57.79 2k77 h LEU 112 Cb 0.22 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 40.75 2k77 h LEU 112 CO -0.02 0.90 -0.95 0.16 0.09 0.00 0.00 178.44 178.63 2k77 h ILE 113 N 0.93 1.32 -0.21 1.22 3.07 -1.31 -3.30 117.51 119.23 2k77 h ILE 113 Ca 0.20 -2.23 -0.00 0.00 1.55 0.00 0.00 64.86 64.38 2k77 h ILE 113 Cb 0.36 2.48 -0.01 0.00 -0.27 0.00 0.00 36.82 39.38 2k77 h ILE 113 CO 0.00 0.68 0.13 -0.09 -1.05 0.00 0.00 178.15 177.82 2k77 h ARG 114 N 0.24 0.28 -0.51 0.16 9.65 -1.05 -2.70 114.38 120.45 2k77 h ARG 114 Ca -0.12 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.72 2k77 h ARG 114 Cb 1.62 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 30.12 2k77 h ARG 114 CO 0.19 0.19 0.26 1.49 2.80 0.00 0.00 179.97 184.90 2k77 h GLU 115 N 0.28 0.73 0.00 0.20 4.57 -1.34 -3.46 114.58 115.55 2k77 h GLU 115 Ca 0.08 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2k77 h GLU 115 Cb -0.02 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 2k77 h GLU 115 CO -0.02 0.59 0.00 0.41 -1.18 0.00 0.00 179.01 178.81 2k77 n GLY 116 N -0.96 1.13 0.01 1.92 0.00 -1.02 -4.55 105.19 101.72 2k77 n GLY 116 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.15 2k77 n GLY 116 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k77 n GLU 117 N -0.12 0.20 -1.18 1.61 0.28 -1.26 -4.74 120.64 115.43 2k77 n GLU 117 Ca 0.00 -0.05 -0.29 0.00 -0.16 0.00 0.00 57.16 56.66 2k77 n GLU 117 Cb 0.00 -1.51 0.16 0.00 1.43 0.00 0.00 31.44 31.51 2k77 n GLU 117 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2k77 s GLY 118 N -3.46 1.59 0.28 -1.84 0.00 -1.26 -4.96 107.32 97.66 2k77 s GLY 118 Ca 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 44.72 44.50 2k77 s GLY 118 CO 0.87 0.33 1.86 -2.08 0.00 0.00 0.00 173.10 174.08 2k77 h VAL 119 N -1.75 1.22 -0.70 1.40 2.07 -1.94 -3.10 116.25 113.46 2k77 h VAL 119 Ca -0.52 -0.68 0.06 0.00 0.82 0.00 0.00 66.70 66.37 2k77 h VAL 119 Cb 1.31 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 2k77 h VAL 119 CO 0.56 0.28 0.41 0.00 0.02 0.00 0.00 177.57 178.84 2k77 h ALA 120 N 1.36 0.94 -0.55 1.67 0.00 -1.91 0.75 119.26 121.52 2k77 h ALA 120 Ca 0.23 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2k77 h ALA 120 Cb 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2k77 h ALA 120 CO -0.02 0.11 0.16 0.00 0.00 0.00 0.00 179.25 179.49 2k77 h ALA 121 N 1.35 1.24 -0.34 0.00 0.00 -1.71 -2.32 119.26 117.47 2k77 h ALA 121 Ca 0.31 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2k77 h ALA 121 Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2k77 h ALA 121 CO -0.17 0.53 -0.20 0.00 0.00 0.00 0.00 179.25 179.42 2k77 h ARG 122 N 0.81 0.74 -0.26 0.00 -0.00 -1.23 -2.74 114.38 111.69 2k77 h ARG 122 Ca 0.18 -0.34 0.04 0.00 -0.50 0.00 0.00 59.98 59.37 2k77 h ARG 122 Cb 0.26 -0.01 -0.04 0.00 0.00 0.00 0.00 29.97 30.18 2k77 h ARG 122 CO -0.01 0.95 0.03 0.28 0.00 0.00 0.00 179.97 181.22 2k77 h VAL 123 N 0.52 0.85 -0.55 2.04 2.07 -0.69 0.39 116.25 120.87 2k77 h VAL 123 Ca 0.07 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2k77 h VAL 123 Cb 0.75 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2k77 h VAL 123 CO 0.06 0.02 0.32 -0.07 0.02 0.00 0.00 177.57 177.92 2k77 h LEU 124 N 0.11 0.67 -0.84 2.57 3.38 -1.46 -1.81 115.31 117.93 2k77 h LEU 124 Ca 0.12 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2k77 h LEU 124 Cb 0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2k77 h LEU 124 CO -0.18 0.54 -0.48 0.78 0.09 0.00 0.00 178.44 179.19 2k77 h ASN 125 N 0.74 0.24 -0.51 -0.43 2.35 -1.15 0.38 115.58 117.20 2k77 h ASN 125 Ca 0.20 -0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 2k77 h ASN 125 Cb 0.00 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 2k77 h ASN 125 CO -0.04 0.69 -0.09 0.78 -1.65 0.00 0.00 177.43 177.13 2k77 h ASN 126 N 0.18 0.96 0.49 5.81 4.21 -0.70 -3.15 115.58 123.38 2k77 h ASN 126 Ca 0.01 -0.35 -0.15 0.00 1.21 0.00 0.00 56.30 57.02 2k77 h ASN 126 Cb 0.92 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.85 2k77 h ASN 126 CO 0.07 1.08 -0.67 -0.07 -1.29 0.00 0.00 177.43 176.56 2k77 h LEU 127 N 0.82 0.19 0.00 1.61 3.38 -1.18 -3.48 115.31 116.64 2k77 h LEU 127 Ca 0.13 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k77 h LEU 127 Cb 0.64 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2k77 h LEU 127 CO 0.04 0.80 0.00 0.61 0.09 0.00 0.00 178.44 179.98 2k77 n GLY 128 N 0.40 0.77 3.80 0.83 0.00 -0.30 -5.09 105.19 105.60 2k77 n GLY 128 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 4.39 0.27 1.61 1.01 -0.03 -4.95 120.40 121.11 2k77 s VAL 129 Ca 0.00 1.56 0.03 0.00 0.00 0.00 0.00 61.98 63.58 2k77 s VAL 129 Cb 0.00 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 2k77 s VAL 129 CO 0.00 0.20 0.03 -0.94 0.00 0.00 0.00 175.10 174.38 2k77 s SER 130 N -1.61 1.99 0.18 3.32 1.04 -1.26 -3.31 113.70 114.06 2k77 s SER 130 Ca 0.46 -1.30 -0.19 0.00 0.48 0.00 0.00 55.95 55.40 2k77 s SER 130 Cb -0.18 -0.01 0.13 0.00 0.10 0.00 0.00 66.02 66.06 2k77 s SER 130 CO 0.23 -0.56 1.61 -0.07 0.98 0.00 0.00 173.24 175.42 2k77 h LEU 131 N 2.32 -0.84 -0.39 2.42 3.38 -1.98 -1.03 115.31 119.18 2k77 h LEU 131 Ca -0.39 0.19 -0.18 0.00 0.09 0.00 0.00 57.88 57.58 2k77 h LEU 131 Cb 1.23 0.45 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 2k77 h LEU 131 CO 0.66 -0.26 -0.69 -0.55 0.09 0.00 0.00 178.44 177.69 2k77 h ASN 132 N -0.13 0.61 -0.26 -0.43 7.08 -1.98 -0.82 115.58 119.64 2k77 h ASN 132 Ca 0.23 -0.37 -0.12 0.00 -3.08 0.00 0.00 56.30 52.95 2k77 h ASN 132 Cb 0.49 -0.18 -0.00 0.00 -2.08 0.00 0.00 38.32 36.55 2k77 h ASN 132 CO -0.58 1.12 -0.30 0.11 -2.08 0.00 0.00 177.43 175.70 2k77 h LYS 133 N 0.37 0.67 0.04 4.14 1.57 -1.92 -1.45 116.57 119.99 2k77 h LYS 133 Ca -0.02 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2k77 h LYS 133 Cb 1.26 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2k77 h LYS 133 CO 0.13 0.98 -0.02 0.00 -0.57 0.00 0.00 179.45 179.96 2k77 h ALA 134 N 0.68 -0.05 -0.27 3.86 0.00 -1.23 -2.81 119.26 119.45 2k77 h ALA 134 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k77 h ALA 134 Cb 0.87 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2k77 h ALA 134 CO 0.07 -0.45 0.17 0.00 0.00 0.00 0.00 179.25 179.05 2k77 h ARG 135 N -0.20 0.35 -0.78 0.00 3.08 -1.12 -0.53 114.38 115.18 2k77 h ARG 135 Ca -0.00 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 2k77 h ARG 135 Cb 0.18 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 2k77 h ARG 135 CO 0.01 0.23 0.32 1.96 -1.07 0.00 0.00 179.97 181.42 2k77 h GLN 136 N 0.36 1.15 -0.17 0.04 4.20 -1.31 0.68 115.11 120.06 2k77 h GLN 136 Ca 0.10 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 2k77 h GLN 136 Cb -0.04 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.55 2k77 h GLN 136 CO -0.02 0.92 -0.14 1.96 -0.67 0.00 0.00 178.83 180.88 2k77 h GLN 137 N 1.13 0.39 -0.41 1.46 1.08 -1.25 -2.17 115.11 115.34 2k77 h GLN 137 Ca 0.26 -0.19 -0.06 0.00 -1.45 0.00 0.00 58.65 57.21 2k77 h GLN 137 Cb 0.19 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 2k77 h GLN 137 CO -0.02 0.74 0.02 0.28 -0.95 0.00 0.00 178.83 178.90 2k77 h VAL 138 N 0.04 1.26 0.00 -0.54 2.07 -0.93 -0.05 116.25 118.09 2k77 h VAL 138 Ca 0.03 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.51 2k77 h VAL 138 Cb 0.66 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2k77 h VAL 138 CO 0.04 0.33 -0.30 -0.07 0.02 0.00 0.00 177.57 177.59 2k77 h LEU 139 N 0.55 0.00 0.00 2.57 3.38 -0.94 -2.27 115.31 118.61 2k77 h LEU 139 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2k77 h LEU 139 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2k77 h LEU 139 CO 0.02 0.30 -0.00 1.56 0.09 0.00 0.00 178.44 180.40 2k77 h GLN 140 N 0.00 -0.00 0.00 1.13 4.20 -1.27 -3.40 115.11 115.77 2k77 h GLN 140 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k77 h GLN 140 Cb 0.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.55 2k77 h GLN 140 CO 0.04 0.94 0.00 1.25 -0.67 0.00 0.00 178.83 180.38 2k77 h LEU 141 N -0.95 0.00 0.00 1.46 5.85 -0.89 -0.51 115.31 120.27 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 0.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.97 2k77 h LEU 141 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 2k77 n LEU 142 N -2.66 0.00 0.00 2.25 -0.00 -0.86 -4.69 117.00 111.04 2k77 n LEU 142 Ca 0.02 0.27 0.00 0.00 -0.00 0.00 0.00 56.01 56.30 2k77 n LEU 142 Cb 0.33 -0.27 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 2k77 n LEU 142 CO 0.26 -0.18 0.00 0.61 -0.00 0.00 0.00 177.39 178.08 2k77 n GLY 143 N -0.41 0.01 0.03 1.47 0.00 -1.17 -5.04 105.19 100.09 2k77 n GLY 143 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 2k77 n GLY 143 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k77 n SER 144 N 0.00 0.52 0.00 1.61 7.64 -0.35 -5.13 113.62 117.91 2k77 n SER 144 Ca 0.00 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.60 2k77 n SER 144 Cb 0.00 0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2k77 n SER 144 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83