#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 3.57 0.07 3.17 1.00 -1.26 -5.02 119.30 120.82 2k77 s MET 2 Ca 0.00 1.00 -0.15 0.00 0.00 0.00 0.00 55.69 56.54 2k77 s MET 2 Cb 0.00 -2.08 -0.23 0.00 0.00 0.00 0.00 34.83 32.52 2k77 s MET 2 CO 0.00 -0.59 1.18 0.74 0.00 0.00 0.00 175.02 176.35 2k77 h PHE 3 N 0.35 0.99 -0.48 -0.03 0.04 -1.92 -3.48 116.94 112.42 2k77 h PHE 3 Ca -0.46 -0.54 -0.20 0.00 2.80 0.00 0.00 57.97 59.57 2k77 h PHE 3 Cb 1.20 -0.11 -0.08 0.00 2.20 0.00 0.00 35.95 39.15 2k77 h PHE 3 CO 0.62 1.37 -0.19 0.41 -0.60 0.00 0.00 178.31 179.93 2k77 n GLY 4 N 1.07 1.12 3.62 -1.45 0.00 -1.26 -5.03 105.19 103.27 2k77 n GLY 4 Ca -0.11 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.71 2.76 0.07 1.61 0.52 -1.26 -5.07 118.95 114.87 2k77 s ARG 5 Ca 0.00 -0.56 0.09 0.00 -0.52 0.00 0.00 55.73 54.74 2k77 s ARG 5 Cb 0.00 -2.63 -0.03 0.00 0.52 0.00 0.00 34.95 32.81 2k77 s ARG 5 CO 0.00 0.65 -0.25 -0.06 0.02 0.00 0.00 175.30 175.67 2k77 s PHE 6 N -0.91 2.37 0.97 -0.53 0.40 -1.26 -0.57 117.98 118.44 2k77 s PHE 6 Ca 0.15 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 55.99 2k77 s PHE 6 Cb -0.11 -1.37 0.17 0.00 0.51 0.00 0.00 43.02 42.22 2k77 s PHE 6 CO 0.04 0.21 1.09 0.95 0.70 0.00 0.00 175.22 178.20 2k77 s THR 7 N -0.90 2.37 0.46 0.64 -4.23 -0.21 -4.74 115.64 109.03 2k77 s THR 7 Ca 0.13 0.12 0.14 0.00 -1.18 0.00 0.00 61.69 60.90 2k77 s THR 7 Cb -0.10 -2.40 0.21 0.00 1.34 0.00 0.00 72.50 71.55 2k77 s THR 7 CO 0.04 -0.16 2.03 1.05 -0.54 0.00 0.00 174.62 177.04 2k77 h GLU 8 N -1.90 0.07 -0.49 3.99 9.09 -1.99 -0.02 114.58 123.33 2k77 h GLU 8 Ca -0.51 -0.01 -0.11 0.00 0.05 0.00 0.00 59.36 58.78 2k77 h GLU 8 Cb 1.29 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 28.37 2k77 h GLU 8 CO 0.51 0.17 -0.11 0.00 0.05 0.00 0.00 179.01 179.63 2k77 h ARG 9 N 0.07 0.94 0.07 1.06 3.08 -1.95 -2.27 114.38 115.39 2k77 h ARG 9 Ca 0.01 -0.36 -0.26 0.00 0.07 0.00 0.00 59.98 59.44 2k77 h ARG 9 Cb 0.22 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 30.24 2k77 h ARG 9 CO 0.01 1.02 -1.07 0.00 -1.07 0.00 0.00 179.97 178.87 2k77 h ALA 10 N 0.89 0.04 -0.75 0.04 0.00 -1.73 -2.98 119.26 114.77 2k77 h ALA 10 Ca 0.12 -0.72 0.06 0.00 0.00 0.00 0.00 54.91 54.37 2k77 h ALA 10 Cb 0.67 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 2k77 h ALA 10 CO 0.05 0.62 0.49 1.96 0.00 0.00 0.00 179.25 182.37 2k77 h GLN 11 N 0.22 0.80 -0.54 0.00 4.20 -1.08 -1.86 115.11 116.86 2k77 h GLN 11 Ca -0.15 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 2k77 h GLN 11 Cb 1.75 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 29.32 2k77 h GLN 11 CO 0.21 0.53 0.31 -0.22 -0.67 0.00 0.00 178.83 178.99 2k77 h LYS 12 N 0.83 0.74 -0.22 1.46 1.63 -1.37 -0.27 116.57 119.37 2k77 h LYS 12 Ca 0.32 -0.08 -0.09 0.00 -0.85 0.00 0.00 60.65 59.95 2k77 h LYS 12 Cb 0.19 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 2k77 h LYS 12 CO -0.10 0.55 -0.27 -0.39 -3.45 0.00 0.00 179.45 175.79 2k77 h VAL 13 N 0.72 1.26 -0.05 2.00 -1.51 -1.23 -0.58 116.25 116.87 2k77 h VAL 13 Ca 0.19 -1.26 -0.16 0.00 -1.23 0.00 0.00 66.70 64.24 2k77 h VAL 13 Cb 0.02 1.39 -0.01 0.00 -2.13 0.00 0.00 31.29 30.56 2k77 h VAL 13 CO -0.03 0.40 -0.68 -0.07 -1.23 0.00 0.00 177.57 175.95 2k77 h LEU 14 N 0.37 0.25 -0.52 4.19 3.38 -1.16 0.64 115.31 122.47 2k77 h LEU 14 Ca 0.05 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 2k77 h LEU 14 Cb 0.66 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2k77 h LEU 14 CO 0.05 0.86 -0.13 0.00 0.09 0.00 0.00 178.44 179.31 2k77 h ALA 15 N 1.14 0.71 0.00 1.53 0.00 -0.80 -2.86 119.26 118.98 2k77 h ALA 15 Ca -0.02 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 2k77 h ALA 15 Cb 1.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2k77 h ALA 15 CO 0.10 0.64 -0.44 -0.07 0.00 0.00 0.00 179.25 179.48 2k77 h LEU 16 N 0.87 0.00 -1.13 0.00 3.38 -0.99 -2.83 115.31 114.60 2k77 h LEU 16 Ca 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2k77 h LEU 16 Cb 0.70 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2k77 h LEU 16 CO 0.05 0.44 0.12 0.00 0.09 0.00 0.00 178.44 179.15 2k77 h ALA 17 N 1.56 1.30 -0.27 1.53 0.00 -0.72 0.77 119.26 123.43 2k77 h ALA 17 Ca -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2k77 h ALA 17 Cb 0.79 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2k77 h ALA 17 CO 0.06 0.49 0.00 0.37 0.00 0.00 0.00 179.25 180.18 2k77 h GLN 18 N 0.71 0.48 -0.28 0.00 4.15 -1.32 -1.03 115.11 117.82 2k77 h GLN 18 Ca 0.16 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2k77 h GLN 18 Cb 0.26 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 2k77 h GLN 18 CO -0.00 0.63 0.12 0.93 -1.93 0.00 0.00 178.83 178.58 2k77 h GLU 19 N 0.27 0.42 -0.84 1.69 4.39 -1.26 -1.42 114.58 117.83 2k77 h GLU 19 Ca 0.08 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2k77 h GLU 19 Cb 0.41 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 2k77 h GLU 19 CO 0.01 0.43 0.39 0.93 -1.16 0.00 0.00 179.01 179.61 2k77 h GLU 20 N 0.31 1.21 0.40 2.33 4.39 -0.86 -0.14 114.58 122.22 2k77 h GLU 20 Ca 0.09 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 2k77 h GLU 20 Cb 0.16 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2k77 h GLU 20 CO -0.01 0.94 -0.19 0.00 -1.16 0.00 0.00 179.01 178.59 2k77 h ALA 21 N 1.21 -0.54 -0.95 3.43 0.00 -1.09 -1.88 119.26 119.45 2k77 h ALA 21 Ca 0.29 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2k77 h ALA 21 Cb 0.13 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2k77 h ALA 21 CO -0.03 -0.80 0.59 -0.07 0.00 0.00 0.00 179.25 178.94 2k77 h LEU 22 N -0.56 1.12 -0.92 0.00 3.38 -1.05 0.10 115.31 117.39 2k77 h LEU 22 Ca -0.06 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 2k77 h LEU 22 Cb 0.42 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2k77 h LEU 22 CO 0.09 0.85 -0.52 0.03 0.09 0.00 0.00 178.44 178.98 2k77 h ARG 23 N 1.30 0.05 -0.09 1.13 3.08 -1.02 -1.78 114.38 117.05 2k77 h ARG 23 Ca 0.34 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2k77 h ARG 23 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2k77 h ARG 23 CO -0.07 0.56 0.00 -0.11 -1.07 0.00 0.00 179.97 179.28 2k77 n LEU 24 N -3.93 1.02 -0.19 3.04 7.94 -0.71 -4.95 117.00 119.22 2k77 n LEU 24 Ca -0.02 -0.42 -0.03 0.00 -1.11 0.00 0.00 56.01 54.44 2k77 n LEU 24 Cb 0.54 -0.06 -0.01 0.00 0.53 0.00 0.00 43.42 44.42 2k77 n LEU 24 CO 0.41 0.21 -0.02 0.61 -1.11 0.00 0.00 177.39 177.49 2k77 n GLY 25 N 1.01 0.58 3.68 -3.96 0.00 -0.52 -0.83 105.19 105.16 2k77 n GLY 25 Ca 0.16 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.01 3.42 -0.67 1.61 3.76 0.24 -1.63 115.29 120.02 2k77 s HIS 26 Ca 0.00 0.82 0.04 0.00 -0.15 0.00 0.00 55.06 55.76 2k77 s HIS 26 Cb 0.00 -2.63 0.25 0.00 1.11 0.00 0.00 32.58 31.31 2k77 s HIS 26 CO 0.00 -0.01 0.95 0.09 -0.85 0.00 0.00 174.74 174.92 2k77 n ASN 27 N 4.39 2.59 -3.72 1.40 3.02 -1.26 -3.15 115.26 118.54 2k77 n ASN 27 Ca -0.06 -2.32 -0.12 0.00 -0.03 0.00 0.00 54.58 52.05 2k77 n ASN 27 Cb 0.51 -0.57 -0.07 0.00 -0.61 0.00 0.00 39.78 39.04 2k77 n ASN 27 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2k77 s ASN 28 N -0.16 -0.20 -0.31 6.41 4.22 -1.26 -3.55 114.94 120.09 2k77 s ASN 28 Ca 0.17 -0.06 -0.10 0.00 -2.14 0.00 0.00 52.86 50.73 2k77 s ASN 28 Cb 0.13 0.37 -0.01 0.00 1.28 0.00 0.00 41.25 43.03 2k77 s ASN 28 CO 0.05 -0.60 0.15 -0.63 -2.04 0.00 0.00 177.10 174.03 2k77 s ILE 29 N -2.26 4.64 0.61 0.54 1.01 0.05 -4.83 121.20 120.95 2k77 s ILE 29 Ca -0.07 -0.38 0.06 0.00 0.00 0.00 0.00 60.65 60.26 2k77 s ILE 29 Cb -0.02 -3.35 0.09 0.00 0.01 0.00 0.00 42.46 39.20 2k77 s ILE 29 CO -0.01 0.09 0.84 -0.83 0.00 0.00 0.00 174.94 175.03 2k77 s GLY 30 N 1.62 1.76 0.28 6.18 0.00 -1.26 -1.42 107.32 114.47 2k77 s GLY 30 Ca 0.05 -1.96 -0.01 0.00 0.00 0.00 0.00 44.72 42.79 2k77 s GLY 30 CO 0.06 -1.49 1.89 -0.91 0.00 0.00 0.00 173.10 172.66 2k77 h THR 31 N -0.03 1.07 -0.65 0.90 1.35 -1.92 -1.53 112.91 112.11 2k77 h THR 31 Ca -0.33 -0.39 0.13 0.00 -0.55 0.00 0.00 66.41 65.28 2k77 h THR 31 Cb 1.28 -0.15 -0.10 0.00 -1.73 0.00 0.00 68.15 67.45 2k77 h THR 31 CO 0.41 0.21 0.11 1.05 -0.25 0.00 0.00 175.52 177.05 2k77 h GLU 32 N 1.12 0.22 -0.01 4.72 9.09 -1.93 -0.57 114.58 127.22 2k77 h GLU 32 Ca 0.42 -0.01 -0.18 0.00 0.05 0.00 0.00 59.36 59.63 2k77 h GLU 32 Cb 0.19 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.23 2k77 h GLU 32 CO -0.17 0.15 -0.82 0.45 0.05 0.00 0.00 179.01 178.67 2k77 h HIS 33 N 0.23 0.25 -0.59 2.06 3.86 -1.65 -0.54 115.15 118.76 2k77 h HIS 33 Ca 0.35 -0.13 -0.08 0.00 -1.16 0.00 0.00 60.37 59.35 2k77 h HIS 33 Cb 0.56 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 2k77 h HIS 33 CO -0.28 0.92 0.06 0.82 0.86 0.00 0.00 177.93 180.30 2k77 h ILE 34 N 0.10 1.26 -0.50 2.45 2.04 -1.12 0.02 117.51 121.77 2k77 h ILE 34 Ca -0.03 -1.06 -0.05 0.00 1.00 0.00 0.00 64.86 64.72 2k77 h ILE 34 Cb 1.43 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 2k77 h ILE 34 CO 0.12 0.39 0.11 0.25 0.00 0.00 0.00 178.15 179.01 2k77 h LEU 35 N 0.91 0.77 -0.75 1.44 5.85 -0.92 -0.91 115.31 121.69 2k77 h LEU 35 Ca 0.18 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.71 2k77 h LEU 35 Cb 0.48 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 2k77 h LEU 35 CO 0.02 0.82 0.45 -0.07 -0.34 0.00 0.00 178.44 179.31 2k77 h LEU 36 N 0.69 0.69 -0.80 2.25 4.07 -1.00 -2.03 115.31 119.18 2k77 h LEU 36 Ca 0.15 0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.17 2k77 h LEU 36 Cb 0.36 -0.12 -0.05 0.00 1.08 0.00 0.00 40.66 41.93 2k77 h LEU 36 CO 0.00 0.44 0.50 1.23 -1.08 0.00 0.00 178.44 179.54 2k77 h GLY 37 N 0.82 1.16 0.97 0.83 0.00 -0.54 0.30 103.07 106.62 2k77 h GLY 37 Ca 0.33 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 2k77 h GLY 37 CO -0.17 0.31 -0.26 1.41 0.00 0.00 0.00 176.54 177.82 2k77 h LEU 38 N 0.97 -0.64 -1.06 3.11 3.38 -0.74 -2.28 115.31 118.05 2k77 h LEU 38 Ca 0.32 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 2k77 h LEU 38 Cb 0.04 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2k77 h LEU 38 CO -0.12 -0.44 -0.06 -0.37 0.09 0.00 0.00 178.44 177.54 2k77 h VAL 39 N -0.72 0.14 -0.05 1.22 -1.51 -1.24 -1.14 116.25 112.95 2k77 h VAL 39 Ca -0.07 -0.78 -0.13 0.00 -1.23 0.00 0.00 66.70 64.49 2k77 h VAL 39 Cb 0.56 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 31.39 2k77 h VAL 39 CO 0.10 0.06 -0.57 -0.09 -1.23 0.00 0.00 177.57 175.84 2k77 h ARG 40 N 0.00 0.16 -0.12 5.19 9.65 -0.90 -3.12 114.38 125.24 2k77 h ARG 40 Ca -0.00 -0.10 -0.13 0.00 -1.10 0.00 0.00 59.98 58.64 2k77 h ARG 40 Cb 0.68 0.01 0.01 0.00 -1.39 0.00 0.00 29.97 29.28 2k77 h ARG 40 CO 0.01 0.69 -0.45 1.49 2.80 0.00 0.00 179.97 184.51 2k77 h GLU 41 N 0.12 0.51 0.00 0.20 4.57 -0.96 -3.47 114.58 115.55 2k77 h GLU 41 Ca -0.00 -0.39 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 2k77 h GLU 41 Cb 1.04 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 2k77 h GLU 41 CO 0.08 1.02 0.00 0.41 -1.18 0.00 0.00 179.01 179.34 2k77 n GLY 42 N 0.64 1.56 0.17 1.92 0.00 -0.47 -4.55 105.19 104.45 2k77 n GLY 42 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.83 2.11 -1.14 1.61 1.02 -1.26 -4.13 120.64 118.02 2k77 n GLU 43 Ca 0.00 -0.54 -0.32 0.00 -0.02 0.00 0.00 57.16 56.28 2k77 n GLU 43 Cb 0.00 -1.01 0.11 0.00 -0.02 0.00 0.00 31.44 30.53 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 -1.08 1.85 0.22 0.62 0.00 -1.26 -4.76 107.32 102.91 2k77 s GLY 44 Ca 0.06 0.52 -0.08 0.00 0.00 0.00 0.00 44.72 45.22 2k77 s GLY 44 CO 0.18 0.90 1.79 -2.22 0.00 0.00 0.00 173.10 173.75 2k77 h ILE 45 N -1.13 0.89 -0.38 0.90 1.08 -1.95 0.05 117.51 116.98 2k77 h ILE 45 Ca -0.44 -0.22 -0.04 0.00 -0.39 0.00 0.00 64.86 63.77 2k77 h ILE 45 Cb 1.26 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 35.20 2k77 h ILE 45 CO 0.48 0.11 0.06 0.00 -0.69 0.00 0.00 178.15 178.12 2k77 h ALA 46 N 1.40 0.50 -0.53 1.87 0.00 -1.90 0.04 119.26 120.64 2k77 h ALA 46 Ca 0.33 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2k77 h ALA 46 Cb 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k77 h ALA 46 CO -0.24 0.21 0.02 0.00 0.00 0.00 0.00 179.25 179.24 2k77 h ALA 47 N 0.92 1.04 -0.34 0.00 0.00 -1.68 -0.63 119.26 118.56 2k77 h ALA 47 Ca 0.11 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2k77 h ALA 47 Cb 0.36 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k77 h ALA 47 CO 0.01 0.60 -0.18 -0.22 0.00 0.00 0.00 179.25 179.46 2k77 h LYS 48 N 0.83 0.62 -0.52 0.00 3.64 -0.91 -1.81 116.57 118.41 2k77 h LYS 48 Ca 0.16 -0.21 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 2k77 h LYS 48 Cb 0.46 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2k77 h LYS 48 CO 0.02 0.76 -0.00 0.00 -2.27 0.00 0.00 179.45 177.96 2k77 h ALA 49 N 1.25 0.71 -0.28 5.00 0.00 -0.54 0.49 119.26 125.89 2k77 h ALA 49 Ca 0.09 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2k77 h ALA 49 Cb 0.62 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2k77 h ALA 49 CO 0.04 0.53 0.16 -0.07 0.00 0.00 0.00 179.25 179.91 2k77 h LEU 50 N 0.80 0.26 -0.94 0.00 3.38 -0.98 -1.87 115.31 115.97 2k77 h LEU 50 Ca 0.15 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 2k77 h LEU 50 Cb 0.53 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2k77 h LEU 50 CO 0.03 0.19 -0.39 1.56 0.09 0.00 0.00 178.44 179.92 2k77 h GLN 51 N 0.33 0.28 -0.20 1.13 4.20 -1.24 -2.38 115.11 117.24 2k77 h GLN 51 Ca 0.11 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 2k77 h GLN 51 Cb 0.00 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2k77 h GLN 51 CO -0.05 0.63 -0.16 0.00 -0.67 0.00 0.00 178.83 178.57 2k77 h ALA 52 N 1.36 1.36 0.00 3.87 0.00 -0.68 -1.51 119.26 123.66 2k77 h ALA 52 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2k77 h ALA 52 Cb 0.80 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2k77 h ALA 52 CO 0.06 0.44 0.00 1.28 0.00 0.00 0.00 179.25 181.03 2k77 n LEU 53 N -4.22 0.00 0.00 0.00 4.77 -0.72 -4.88 117.00 111.95 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 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2k77 n LEU 53 CO 0.39 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2k77 n GLY 54 N 0.33 0.73 3.53 -0.72 0.00 -0.57 -4.97 105.19 103.52 2k77 n GLY 54 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.44 0.99 4.77 -0.92 -4.99 117.00 113.41 2k77 n LEU 55 Ca 0.00 -1.51 -0.13 0.00 -0.03 0.00 0.00 56.01 54.34 2k77 n LEU 55 Cb 0.00 -0.83 -0.03 0.00 -2.33 0.00 0.00 43.42 40.23 2k77 n LEU 55 CO 0.00 -1.24 0.42 -0.83 -1.33 0.00 0.00 177.39 174.41 2k77 s GLY 56 N -5.43 -0.60 0.14 -0.72 0.00 -1.26 -4.33 107.32 95.11 2k77 s GLY 56 Ca 0.66 0.66 -0.19 0.00 0.00 0.00 0.00 44.72 45.86 2k77 s GLY 56 CO 0.46 0.31 1.71 1.48 0.00 0.00 0.00 173.10 177.05 2k77 h SER 57 N 2.17 -0.14 -0.61 1.64 4.64 -1.98 -2.18 113.55 117.09 2k77 h SER 57 Ca -0.32 0.06 0.08 0.00 -0.47 0.00 0.00 61.79 61.14 2k77 h SER 57 Cb 1.28 0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 63.42 2k77 h SER 57 CO 0.38 -0.04 0.26 -0.08 -0.87 0.00 0.00 176.83 176.48 2k77 h GLU 58 N 0.05 0.46 -0.31 4.77 4.81 -1.98 -0.24 114.58 122.15 2k77 h GLU 58 Ca 0.12 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.17 2k77 h GLU 58 Cb 0.16 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 2k77 h GLU 58 CO -0.22 0.31 -0.42 0.87 -0.73 0.00 0.00 179.01 178.82 2k77 h LYS 59 N 0.48 0.82 -0.19 1.92 1.79 -1.88 -0.07 116.57 119.44 2k77 h LYS 59 Ca 0.30 -0.48 -0.04 0.00 -2.18 0.00 0.00 60.65 58.25 2k77 h LYS 59 Cb 0.32 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 2k77 h LYS 59 CO -0.26 1.11 -0.04 0.82 -1.08 0.00 0.00 179.45 180.00 2k77 h ILE 60 N 0.60 1.28 -0.57 1.86 2.04 -1.23 -2.00 117.51 119.49 2k77 h ILE 60 Ca 0.03 -1.00 -0.10 0.00 1.00 0.00 0.00 64.86 64.80 2k77 h ILE 60 Cb 1.01 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 2k77 h ILE 60 CO 0.10 0.30 -0.04 1.56 0.00 0.00 0.00 178.15 180.07 2k77 h GLN 61 N 0.09 1.03 -0.57 2.37 4.20 -1.00 -1.73 115.11 119.50 2k77 h GLN 61 Ca 0.05 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.40 2k77 h GLN 61 Cb 0.47 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 2k77 h GLN 61 CO 0.02 1.03 0.28 -0.22 -0.67 0.00 0.00 178.83 179.27 2k77 h LYS 62 N 0.93 0.82 -0.60 1.46 3.64 -1.02 -0.27 116.57 121.53 2k77 h LYS 62 Ca 0.16 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 2k77 h LYS 62 Cb 0.60 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2k77 h LYS 62 CO 0.04 0.67 0.07 0.93 -2.27 0.00 0.00 179.45 178.89 2k77 h GLU 63 N 0.78 0.99 0.36 1.90 4.39 -1.17 -0.25 114.58 121.58 2k77 h GLU 63 Ca 0.20 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 2k77 h GLU 63 Cb 0.11 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2k77 h GLU 63 CO -0.03 0.93 -0.18 0.28 -1.16 0.00 0.00 179.01 178.86 2k77 h VAL 64 N 0.93 0.65 -0.19 3.13 2.07 -1.12 -2.95 116.25 118.77 2k77 h VAL 64 Ca 0.18 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 2k77 h VAL 64 Cb 0.44 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2k77 h VAL 64 CO 0.01 0.03 0.02 -0.33 0.02 0.00 0.00 177.57 177.32 2k77 h GLU 65 N -0.56 0.26 0.00 1.57 5.08 -0.92 -0.49 114.58 119.52 2k77 h GLU 65 Ca -0.05 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 2k77 h GLU 65 Cb 0.42 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2k77 h GLU 65 CO 0.08 0.27 -0.22 1.03 -1.00 0.00 0.00 179.01 179.18 2k77 h SER 66 N 0.26 0.00 0.14 1.42 0.87 -1.01 -0.70 113.55 114.53 2k77 h SER 66 Ca 0.06 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.26 2k77 h SER 66 Cb 0.15 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 2k77 h SER 66 CO 0.00 0.22 -2.03 0.18 -0.53 0.00 0.00 176.83 174.67 2k77 n LEU 67 N -4.17 2.54 -0.03 2.23 4.77 -0.45 -4.69 117.00 117.20 2k77 n LEU 67 Ca -0.02 0.19 0.02 0.00 -0.03 0.00 0.00 56.01 56.16 2k77 n LEU 67 Cb 0.28 -1.01 -0.11 0.00 -2.33 0.00 0.00 43.42 40.26 2k77 n LEU 67 CO 0.36 0.83 -0.76 2.30 -1.33 0.00 0.00 177.39 178.79 2k77 n ILE 68 N -3.43 0.34 -5.00 -0.08 -5.35 -0.32 -5.12 119.36 100.40 2k77 n ILE 68 Ca -0.32 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 61.75 2k77 n ILE 68 Cb 1.04 -0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 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 1.90 -0.83 3.73 3.28 0.00 -0.27 -4.68 105.19 108.33 2k77 n GLY 69 Ca -0.10 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 2k77 n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k77 s ARG 70 N 0.00 4.37 0.00 1.61 3.52 -1.26 -4.94 118.95 122.24 2k77 s ARG 70 Ca 0.00 2.03 0.00 0.00 -0.13 0.00 0.00 55.73 57.63 2k77 s ARG 70 Cb 0.00 -3.23 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 2k77 s ARG 70 CO 0.00 -0.33 0.00 0.41 -0.81 0.00 0.00 175.30 174.57 2k77 n GLY 71 N 2.93 -1.44 2.13 8.12 0.00 -0.01 -4.91 105.19 112.00 2k77 n GLY 71 Ca 0.09 -1.60 -0.21 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.97 2.58 -1.52 1.61 3.00 -0.95 -4.75 117.38 116.39 2k77 n GLN 72 Ca 0.00 -1.48 -0.48 0.00 -0.01 0.00 0.00 57.00 55.03 2k77 n GLN 72 Cb 0.00 -2.25 -0.06 0.00 0.00 0.00 0.00 30.24 27.93 2k77 n GLN 72 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2k77 n GLU 73 N 2.70 1.45 0.00 -1.09 2.13 -0.64 -4.69 120.64 120.50 2k77 n GLU 73 Ca 0.54 0.42 0.00 0.00 0.66 0.00 0.00 57.16 58.78 2k77 n GLU 73 Cb 0.69 -2.69 0.00 0.00 0.27 0.00 0.00 31.44 29.70 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 8.12 2.70 -2.87 5.31 2.81 -1.26 -5.10 117.12 126.82 2k77 n MET 74 Ca 0.36 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 56.17 2k77 n MET 74 Cb 0.30 -0.75 0.01 0.00 -0.71 0.00 0.00 33.22 32.06 2k77 n MET 74 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2k77 n SER 75 N -0.83 -7.76 -4.14 7.83 2.88 -1.26 -5.09 113.62 105.26 2k77 n SER 75 Ca 0.00 0.78 -0.14 0.00 -1.33 0.00 0.00 58.87 58.18 2k77 n SER 75 Cb 0.00 -4.95 -0.10 0.00 -0.75 0.00 0.00 64.21 58.42 2k77 n SER 75 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2k77 s GLN 76 N -2.21 1.33 0.09 -1.46 -0.21 -1.26 -5.13 119.66 110.82 2k77 s GLN 76 Ca 0.17 -1.72 -0.35 0.00 0.02 0.00 0.00 55.36 53.48 2k77 s GLN 76 Cb -0.04 0.11 -0.14 0.00 1.00 0.00 0.00 33.01 33.94 2k77 s GLN 76 CO 0.75 -0.40 1.58 2.41 -2.12 0.00 0.00 175.29 177.51 2k77 n THR 77 N -0.38 0.09 -2.22 -0.19 -1.04 -1.26 -4.90 114.28 104.39 2k77 n THR 77 Ca 0.02 -0.02 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 2k77 n THR 77 Cb 0.66 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 2k77 n THR 77 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2k77 s ILE 78 N 1.37 3.05 0.05 12.58 1.09 -1.26 -4.86 121.20 133.21 2k77 s ILE 78 Ca 0.83 0.71 0.01 0.00 -1.10 0.00 0.00 60.65 61.09 2k77 s ILE 78 Cb -0.75 -3.32 -0.03 0.00 -1.06 0.00 0.00 42.46 37.30 2k77 s ILE 78 CO 0.43 -0.09 -0.05 -2.28 -0.10 0.00 0.00 174.94 172.85 2k77 s HIS 79 N -1.65 0.56 0.04 3.97 2.46 -1.23 -4.99 115.29 114.45 2k77 s HIS 79 Ca 0.70 -0.73 -0.20 0.00 0.47 0.00 0.00 55.06 55.30 2k77 s HIS 79 Cb -0.27 -0.36 -0.06 0.00 -0.13 0.00 0.00 32.58 31.76 2k77 s HIS 79 CO 0.31 -0.20 0.57 0.71 -2.47 0.00 0.00 174.74 173.67 2k77 s TYR 80 N -2.46 3.76 0.85 3.88 1.51 -1.26 -0.77 117.35 122.85 2k77 s TYR 80 Ca -0.03 1.23 -0.11 0.00 -1.01 0.00 0.00 57.07 57.15 2k77 s TYR 80 Cb -0.03 -2.54 0.10 0.00 -0.11 0.00 0.00 41.96 39.39 2k77 s TYR 80 CO -0.04 0.49 1.09 0.95 -1.11 0.00 0.00 175.55 176.94 2k77 s THR 81 N -0.74 2.88 0.43 -0.71 -4.23 -0.51 -4.77 115.64 107.99 2k77 s THR 81 Ca 0.30 0.28 0.12 0.00 -1.18 0.00 0.00 61.69 61.21 2k77 s THR 81 Cb -0.19 -2.75 0.32 0.00 1.34 0.00 0.00 72.50 71.22 2k77 s THR 81 CO 0.18 -0.37 1.99 -0.65 -0.54 0.00 0.00 174.62 175.23 2k77 h PRO 82 N -1.42 0.44 -0.18 3.99 0.11 -1.98 0.91 132.00 133.87 2k77 h PRO 82 Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 2k77 h PRO 82 Cb 1.26 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2k77 h PRO 82 CO 0.53 0.29 -0.04 0.00 -0.21 0.00 0.00 178.00 178.57 2k77 h ARG 83 N 0.45 0.34 -0.45 1.05 2.47 -1.95 -1.67 114.38 114.63 2k77 h ARG 83 Ca 0.26 -0.13 -0.12 0.00 -1.26 0.00 0.00 59.98 58.73 2k77 h ARG 83 Cb 0.43 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 2k77 h ARG 83 CO -0.07 0.61 -0.20 0.00 0.56 0.00 0.00 179.97 180.87 2k77 h ALA 84 N 0.73 0.80 -0.90 0.04 0.00 -1.69 -1.06 119.26 117.17 2k77 h ALA 84 Ca 0.05 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.61 2k77 h ALA 84 Cb 0.48 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2k77 h ALA 84 CO 0.02 0.65 0.59 -0.22 0.00 0.00 0.00 179.25 180.29 2k77 h LYS 85 N 0.78 1.13 -0.30 0.00 1.63 -0.84 -0.15 116.57 118.82 2k77 h LYS 85 Ca 0.11 -0.07 -0.12 0.00 -0.85 0.00 0.00 60.65 59.72 2k77 h LYS 85 Cb 0.74 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 2k77 h LYS 85 CO 0.06 0.75 -0.32 -0.22 -3.45 0.00 0.00 179.45 176.27 2k77 h LYS 86 N 1.17 0.66 -0.51 1.90 1.63 -1.00 -1.36 116.57 119.05 2k77 h LYS 86 Ca 0.35 -0.30 0.01 0.00 -0.85 0.00 0.00 60.65 59.87 2k77 h LYS 86 Cb -0.04 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.54 2k77 h LYS 86 CO -0.10 0.89 0.32 0.28 -3.45 0.00 0.00 179.45 177.39 2k77 h VAL 87 N 0.56 1.09 -0.47 2.00 2.07 -0.71 -0.51 116.25 120.28 2k77 h VAL 87 Ca 0.06 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2k77 h VAL 87 Cb 0.82 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 2k77 h VAL 87 CO 0.07 0.12 0.25 0.40 0.02 0.00 0.00 177.57 178.42 2k77 h ILE 88 N 0.65 1.17 -0.38 4.57 1.08 -0.75 0.19 117.51 124.04 2k77 h ILE 88 Ca 0.20 -0.47 0.01 0.00 -0.39 0.00 0.00 64.86 64.21 2k77 h ILE 88 Cb -0.03 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.32 2k77 h ILE 88 CO -0.07 0.19 0.25 -0.33 -0.69 0.00 0.00 178.15 177.50 2k77 h GLU 89 N 0.62 0.49 -0.04 2.37 5.08 -1.11 -2.65 114.58 119.34 2k77 h GLU 89 Ca 0.16 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 2k77 h GLU 89 Cb 0.08 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2k77 h GLU 89 CO -0.02 0.33 -0.64 -0.07 -1.00 0.00 0.00 179.01 177.60 2k77 h LEU 90 N 0.51 0.16 -1.02 1.33 3.38 -0.81 -1.64 115.31 117.22 2k77 h LEU 90 Ca 0.14 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2k77 h LEU 90 Cb -0.05 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2k77 h LEU 90 CO -0.04 0.76 0.35 0.28 0.09 0.00 0.00 178.44 179.88 2k77 h SER 91 N 0.10 0.95 -0.02 -0.43 0.02 -0.56 0.57 113.55 114.19 2k77 h SER 91 Ca -0.01 -0.11 -0.15 0.00 -0.84 0.00 0.00 61.79 60.68 2k77 h SER 91 Cb 1.14 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 2k77 h SER 91 CO 0.09 0.80 -0.51 -0.03 -1.14 0.00 0.00 176.83 176.05 2k77 h MET 92 N 1.04 0.59 -0.54 3.45 1.85 -1.23 -1.54 114.93 118.55 2k77 h MET 92 Ca 0.25 -0.35 -0.12 0.00 -0.61 0.00 0.00 59.70 58.88 2k77 h MET 92 Cb 0.11 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.15 2k77 h MET 92 CO -0.03 0.95 -0.13 0.22 -0.40 0.00 0.00 176.91 177.52 2k77 h ASP 93 N 0.46 1.05 -0.45 1.39 3.58 -0.93 -1.26 116.42 120.26 2k77 h ASP 93 Ca 0.02 -0.36 -0.04 0.00 0.42 0.00 0.00 57.03 57.07 2k77 h ASP 93 Cb 1.04 -0.29 -0.02 0.00 1.72 0.00 0.00 39.33 41.79 2k77 h ASP 93 CO 0.10 1.17 0.13 -0.33 -2.88 0.00 0.00 179.24 177.42 2k77 h GLU 94 N 0.92 0.72 -0.67 0.28 4.39 -0.85 -0.81 114.58 118.55 2k77 h GLU 94 Ca 0.14 -0.16 0.02 0.00 0.34 0.00 0.00 59.36 59.69 2k77 h GLU 94 Cb 0.71 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.22 2k77 h GLU 94 CO 0.05 0.70 0.43 0.00 -1.16 0.00 0.00 179.01 179.03 2k77 h ALA 95 N 0.98 0.86 -0.55 3.43 0.00 -1.23 -1.58 119.26 121.18 2k77 h ALA 95 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2k77 h ALA 95 Cb 0.29 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2k77 h ALA 95 CO -0.00 0.21 0.36 -0.09 0.00 0.00 0.00 179.25 179.73 2k77 h ARG 96 N 0.85 0.73 0.00 0.00 2.43 -1.04 -0.97 114.38 116.38 2k77 h ARG 96 Ca 0.26 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.31 2k77 h ARG 96 Cb -0.03 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 2k77 h ARG 96 CO -0.09 0.49 -0.35 0.87 -1.51 0.00 0.00 179.97 179.39 2k77 h LYS 97 N 0.75 0.00 0.00 0.20 1.57 -0.86 -1.44 116.57 116.79 2k77 h LYS 97 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2k77 h LYS 97 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2k77 h LYS 97 CO -0.04 0.35 0.00 1.28 -0.57 0.00 0.00 179.45 180.46 2k77 n LEU 98 N -3.96 0.33 -0.29 2.94 7.99 -0.62 -4.94 117.00 118.45 2k77 n LEU 98 Ca -0.02 0.55 -0.04 0.00 -0.01 0.00 0.00 56.01 56.49 2k77 n LEU 98 Cb 0.40 -0.46 -0.02 0.00 -0.11 0.00 0.00 43.42 43.24 2k77 n LEU 98 CO 0.38 -0.18 -0.04 0.61 -1.51 0.00 0.00 177.39 176.65 2k77 n GLY 99 N 0.96 0.67 3.74 -0.72 0.00 -0.54 -5.04 105.19 104.26 2k77 n GLY 99 Ca 0.05 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.07 3.68 -2.00 1.61 3.76 -0.42 -4.97 115.29 114.87 2k77 s HIS 100 Ca 0.00 1.38 0.15 0.00 -0.15 0.00 0.00 55.06 56.44 2k77 s HIS 100 Cb 0.00 -2.79 0.89 0.00 1.11 0.00 0.00 32.58 31.79 2k77 s HIS 100 CO 0.00 0.22 1.36 0.43 -0.85 0.00 0.00 174.74 175.90 2k77 n SER 101 N 3.10 0.00 -3.56 1.40 7.64 -1.26 -4.23 113.62 116.71 2k77 n SER 101 Ca -0.02 -0.87 -0.14 0.00 1.01 0.00 0.00 58.87 58.84 2k77 n SER 101 Cb 0.51 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.65 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 -0.47 -0.30 1.43 -0.85 -1.26 -4.60 117.35 109.30 2k77 s TYR 102 Ca 0.22 0.57 -0.23 0.00 -0.52 0.00 0.00 57.07 57.12 2k77 s TYR 102 Cb 0.10 0.37 -0.00 0.00 0.38 0.00 0.00 41.96 42.81 2k77 s TYR 102 CO 0.17 -0.65 0.77 0.08 -1.52 0.00 0.00 175.55 174.40 2k77 s VAL 103 N -2.29 4.82 0.75 -3.49 1.01 0.26 -4.85 120.40 116.60 2k77 s VAL 103 Ca -0.06 1.17 -0.05 0.00 0.00 0.00 0.00 61.98 63.05 2k77 s VAL 103 Cb -0.01 -4.12 0.12 0.00 0.00 0.00 0.00 36.38 32.37 2k77 s VAL 103 CO -0.00 -0.22 1.04 -0.83 0.00 0.00 0.00 175.10 175.09 2k77 s GLY 104 N 1.60 1.76 0.26 4.51 0.00 -1.26 -1.04 107.32 113.14 2k77 s GLY 104 Ca 0.32 -1.44 -0.04 0.00 0.00 0.00 0.00 44.72 43.55 2k77 s GLY 104 CO 0.12 -0.89 1.89 -0.91 0.00 0.00 0.00 173.10 173.31 2k77 h THR 105 N -0.71 1.13 -0.39 0.90 1.35 -1.92 -1.03 112.91 112.25 2k77 h THR 105 Ca -0.40 -0.41 0.08 0.00 -0.55 0.00 0.00 66.41 65.13 2k77 h THR 105 Cb 1.27 -0.17 -0.09 0.00 -1.73 0.00 0.00 68.15 67.43 2k77 h THR 105 CO 0.44 0.22 -0.30 1.05 -0.25 0.00 0.00 175.52 176.69 2k77 h GLU 106 N 1.20 -0.22 -0.01 4.72 9.09 -1.95 -1.60 114.58 125.80 2k77 h GLU 106 Ca 0.40 0.02 -0.11 0.00 0.05 0.00 0.00 59.36 59.72 2k77 h GLU 106 Cb 0.06 0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.20 2k77 h GLU 106 CO -0.14 -0.15 -0.50 0.45 0.05 0.00 0.00 179.01 178.72 2k77 h HIS 107 N -0.23 0.04 -0.20 2.06 3.86 -1.71 -1.39 115.15 117.57 2k77 h HIS 107 Ca 0.18 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.38 2k77 h HIS 107 Cb 0.52 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 2k77 h HIS 107 CO -0.51 0.53 0.12 0.82 0.86 0.00 0.00 177.93 179.75 2k77 h ILE 108 N 0.03 1.03 -0.50 2.45 2.04 -0.75 -0.37 117.51 121.44 2k77 h ILE 108 Ca -0.00 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 2k77 h ILE 108 Cb 0.90 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 2k77 h ILE 108 CO 0.07 0.05 0.15 0.25 0.00 0.00 0.00 178.15 178.67 2k77 h LEU 109 N 0.25 0.72 -1.43 1.44 5.85 -0.94 -0.77 115.31 120.43 2k77 h LEU 109 Ca 0.08 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.67 2k77 h LEU 109 Cb -0.01 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 2k77 h LEU 109 CO -0.04 0.74 0.47 -0.07 -0.34 0.00 0.00 178.44 179.20 2k77 h LEU 110 N 0.67 0.60 -0.35 2.25 3.38 -1.12 -1.51 115.31 119.22 2k77 h LEU 110 Ca 0.16 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2k77 h LEU 110 Cb 0.27 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2k77 h LEU 110 CO -0.00 0.38 0.10 1.23 0.09 0.00 0.00 178.44 180.23 2k77 h GLY 111 N 0.67 0.60 0.86 0.83 0.00 -0.44 -1.18 103.07 104.42 2k77 h GLY 111 Ca 0.32 -0.37 0.03 0.00 0.00 0.00 0.00 47.33 47.30 2k77 h GLY 111 CO -0.11 0.34 0.28 1.41 0.00 0.00 0.00 176.54 178.47 2k77 h LEU 112 N 0.42 0.45 -0.35 3.11 3.38 -0.20 -0.97 115.31 121.15 2k77 h LEU 112 Ca 0.11 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.90 2k77 h LEU 112 Cb 0.28 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2k77 h LEU 112 CO -0.00 0.32 -0.75 0.16 0.09 0.00 0.00 178.44 178.26 2k77 h ILE 113 N 0.56 1.36 -0.07 1.22 3.07 -1.38 -3.24 117.51 119.02 2k77 h ILE 113 Ca 0.20 -2.12 -0.10 0.00 1.55 0.00 0.00 64.86 64.39 2k77 h ILE 113 Cb 0.03 2.10 -0.01 0.00 -0.27 0.00 0.00 36.82 38.67 2k77 h ILE 113 CO -0.10 0.64 -0.39 -0.09 -1.05 0.00 0.00 178.15 177.16 2k77 h ARG 114 N 0.33 0.15 -0.18 0.16 9.65 -0.98 -3.22 114.38 120.29 2k77 h ARG 114 Ca -0.04 -0.07 -0.08 0.00 -1.10 0.00 0.00 59.98 58.70 2k77 h ARG 114 Cb 1.34 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.91 2k77 h ARG 114 CO 0.13 0.53 -0.20 1.49 2.80 0.00 0.00 179.97 184.72 2k77 h GLU 115 N 0.13 0.45 0.00 0.20 4.22 -1.24 -3.47 114.58 114.87 2k77 h GLU 115 Ca 0.01 -0.25 0.00 0.00 0.08 0.00 0.00 59.36 59.21 2k77 h GLU 115 Cb 0.76 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2k77 h GLU 115 CO 0.06 0.82 0.00 0.41 -2.18 0.00 0.00 179.01 178.12 2k77 n GLY 116 N 0.23 1.70 0.11 1.92 0.00 -1.22 -4.73 105.19 103.21 2k77 n GLY 116 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.90 0.72 -1.05 1.61 -0.58 -1.26 -4.79 120.64 113.39 2k77 n GLU 117 Ca 0.00 0.06 -0.32 0.00 -0.42 0.00 0.00 57.16 56.48 2k77 n GLU 117 Cb 0.00 -1.50 0.12 0.00 -0.57 0.00 0.00 31.44 29.49 2k77 n GLU 117 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2k77 s GLY 118 N -5.87 1.81 0.40 0.62 0.00 -1.26 -4.91 107.32 98.11 2k77 s GLY 118 Ca -0.21 0.53 0.13 0.00 0.00 0.00 0.00 44.72 45.18 2k77 s GLY 118 CO 0.70 0.92 1.90 -2.08 0.00 0.00 0.00 173.10 174.54 2k77 h VAL 119 N -1.28 0.81 -0.74 1.40 2.07 -1.94 -2.58 116.25 113.99 2k77 h VAL 119 Ca -0.44 -0.18 0.09 0.00 0.82 0.00 0.00 66.70 66.99 2k77 h VAL 119 Cb 1.26 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 2k77 h VAL 119 CO 0.47 0.09 0.39 0.00 0.02 0.00 0.00 177.57 178.54 2k77 h ALA 120 N 1.63 1.03 -0.33 1.67 0.00 -1.92 -0.33 119.26 121.00 2k77 h ALA 120 Ca 0.40 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.26 2k77 h ALA 120 Cb 0.80 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2k77 h ALA 120 CO -0.15 0.00 -0.16 0.00 0.00 0.00 0.00 179.25 178.94 2k77 h ALA 121 N 1.43 1.10 -0.30 0.00 0.00 -1.65 -2.67 119.26 117.17 2k77 h ALA 121 Ca 0.36 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2k77 h ALA 121 Cb 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2k77 h ALA 121 CO -0.25 0.56 -0.01 0.00 0.00 0.00 0.00 179.25 179.54 2k77 h ARG 122 N 0.54 0.54 -0.25 0.00 3.08 -1.31 -2.66 114.38 114.32 2k77 h ARG 122 Ca 0.09 -0.18 0.03 0.00 0.07 0.00 0.00 59.98 59.99 2k77 h ARG 122 Cb 0.59 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 2k77 h ARG 122 CO 0.04 0.70 0.05 0.28 -1.07 0.00 0.00 179.97 179.97 2k77 h VAL 123 N 0.33 0.89 -0.71 2.04 2.07 -1.03 -0.09 116.25 119.75 2k77 h VAL 123 Ca 0.08 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 2k77 h VAL 123 Cb 0.46 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2k77 h VAL 123 CO 0.02 0.03 0.39 -0.07 0.02 0.00 0.00 177.57 177.95 2k77 h LEU 124 N 0.15 0.90 -0.83 2.57 3.38 -1.47 -1.64 115.31 118.37 2k77 h LEU 124 Ca 0.11 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2k77 h LEU 124 Cb 0.11 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2k77 h LEU 124 CO -0.15 0.74 -0.28 0.78 0.09 0.00 0.00 178.44 179.62 2k77 h ASN 125 N 0.98 0.56 -0.64 -0.43 2.35 -1.14 -0.03 115.58 117.23 2k77 h ASN 125 Ca 0.25 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 2k77 h ASN 125 Cb 0.05 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 2k77 h ASN 125 CO -0.04 0.82 0.12 0.78 -1.65 0.00 0.00 177.43 177.46 2k77 h ASN 126 N 0.47 1.01 0.57 5.81 2.35 -0.68 -3.14 115.58 121.97 2k77 h ASN 126 Ca 0.06 -0.25 -0.17 0.00 -0.55 0.00 0.00 56.30 55.39 2k77 h ASN 126 Cb 0.74 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 2k77 h ASN 126 CO 0.06 1.00 -0.76 -0.07 -1.65 0.00 0.00 177.43 176.01 2k77 h LEU 127 N 0.97 0.18 0.00 1.61 3.38 -1.15 -3.48 115.31 116.82 2k77 h LEU 127 Ca 0.20 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2k77 h LEU 127 Cb 0.41 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2k77 h LEU 127 CO 0.01 0.87 0.00 0.61 0.09 0.00 0.00 178.44 180.02 2k77 n GLY 128 N 0.62 0.46 3.80 0.83 0.00 -0.37 -5.10 105.19 105.43 2k77 n GLY 128 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.41 4.00 0.14 1.61 1.01 -0.17 -4.95 120.40 120.64 2k77 s VAL 129 Ca 0.00 1.39 0.05 0.00 0.00 0.00 0.00 61.98 63.42 2k77 s VAL 129 Cb 0.00 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2k77 s VAL 129 CO 0.00 -0.13 -0.11 -0.55 0.00 0.00 0.00 175.10 174.31 2k77 s SER 130 N -1.85 1.86 0.22 3.32 0.15 -1.26 -3.38 113.70 112.75 2k77 s SER 130 Ca 0.60 -0.96 -0.10 0.00 0.70 0.00 0.00 55.95 56.19 2k77 s SER 130 Cb -0.16 -0.03 0.32 0.00 -1.71 0.00 0.00 66.02 64.44 2k77 s SER 130 CO 0.21 -0.28 1.67 0.25 1.20 0.00 0.00 173.24 176.28 2k77 h LEU 131 N 2.95 -0.22 -0.53 3.45 6.46 -1.98 -0.85 115.31 124.58 2k77 h LEU 131 Ca -0.37 0.15 -0.14 0.00 -0.12 0.00 0.00 57.88 57.40 2k77 h LEU 131 Cb 1.19 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 41.37 2k77 h LEU 131 CO 0.60 -0.10 -0.33 -1.13 -0.62 0.00 0.00 178.44 176.86 2k77 h ASN 132 N 0.14 0.87 -0.19 1.25 -0.73 -1.98 -0.92 115.58 114.01 2k77 h ASN 132 Ca 0.34 -0.37 -0.15 0.00 1.87 0.00 0.00 56.30 57.99 2k77 h ASN 132 Cb 0.55 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 38.90 2k77 h ASN 132 CO -0.52 1.12 -0.46 0.11 -0.37 0.00 0.00 177.43 177.31 2k77 h LYS 133 N 0.69 0.65 -0.45 6.67 1.79 -1.77 -0.44 116.57 123.71 2k77 h LYS 133 Ca 0.07 -0.44 -0.01 0.00 -2.18 0.00 0.00 60.65 58.09 2k77 h LYS 133 Cb 0.89 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.58 2k77 h LYS 133 CO 0.08 1.06 0.23 0.00 -1.08 0.00 0.00 179.45 179.74 2k77 h ALA 134 N 0.59 0.58 0.20 3.86 0.00 -1.23 -2.21 119.26 121.05 2k77 h ALA 134 Ca -0.00 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2k77 h ALA 134 Cb 1.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2k77 h ALA 134 CO 0.10 0.12 -0.28 0.00 0.00 0.00 0.00 179.25 179.19 2k77 h ARG 135 N 0.58 -0.52 -0.93 0.00 3.08 -1.06 -1.44 114.38 114.09 2k77 h ARG 135 Ca 0.16 0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.26 2k77 h ARG 135 Cb 0.09 0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 2k77 h ARG 135 CO -0.02 -0.35 0.61 1.96 -1.07 0.00 0.00 179.97 181.10 2k77 h GLN 136 N -0.54 1.20 -0.22 0.04 4.20 -0.99 0.64 115.11 119.44 2k77 h GLN 136 Ca 0.01 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 2k77 h GLN 136 Cb 0.53 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 2k77 h GLN 136 CO -0.11 0.79 -0.23 1.96 -0.67 0.00 0.00 178.83 180.58 2k77 h GLN 137 N 1.24 0.54 -0.33 1.46 1.08 -1.32 -2.19 115.11 115.58 2k77 h GLN 137 Ca 0.35 -0.29 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 2k77 h GLN 137 Cb -0.11 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 2k77 h GLN 137 CO -0.08 0.88 -0.00 0.28 -0.95 0.00 0.00 178.83 178.95 2k77 h VAL 138 N 0.23 1.26 0.00 -0.54 2.07 -0.99 -0.41 116.25 117.87 2k77 h VAL 138 Ca 0.03 -0.97 -0.07 0.00 0.82 0.00 0.00 66.70 66.51 2k77 h VAL 138 Cb 0.78 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2k77 h VAL 138 CO 0.06 0.32 -0.34 -0.07 0.02 0.00 0.00 177.57 177.55 2k77 h LEU 139 N 0.40 0.00 0.02 2.57 3.38 -0.94 -1.71 115.31 119.03 2k77 h LEU 139 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 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 0.34 -0.01 1.56 0.09 0.00 0.00 178.44 180.44 2k77 h GLN 140 N 0.00 -0.02 0.00 1.13 4.20 -1.32 -3.39 115.11 115.71 2k77 h GLN 140 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2k77 h GLN 140 Cb 0.66 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 2k77 h GLN 140 CO 0.04 0.74 -0.05 1.25 -0.67 0.00 0.00 178.83 180.15 2k77 h LEU 141 N -0.87 0.00 0.00 1.46 5.85 -0.89 -0.31 115.31 120.55 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 0.77 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.80 2k77 h LEU 141 CO 0.00 0.05 0.00 0.00 -0.34 0.00 0.00 178.44 178.15 2k77 n LEU 142 N -3.17 0.00 0.00 2.25 -0.00 -0.66 -4.70 117.00 110.73 2k77 n LEU 142 Ca 0.00 0.38 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 2k77 n LEU 142 Cb 0.33 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.36 2k77 n LEU 142 CO 0.28 -0.21 0.00 0.61 -0.00 0.00 0.00 177.39 178.07 2k77 n GLY 143 N -0.14 0.00 0.18 1.47 0.00 -1.12 -5.03 105.19 100.55 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 1.76 0.00 0.00 0.00 173.32 175.08 2k77 h SER 144 N 0.00 0.00 -0.00 1.61 0.02 -1.39 -3.52 113.55 110.27 2k77 h SER 144 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k77 h SER 144 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2k77 h SER 144 CO 0.00 0.00 0.00 -3.20 -1.14 0.00 0.00 176.83 172.49