#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 3.14 0.27 3.17 1.00 -1.26 -5.00 119.30 120.62 2k77 s MET 2 Ca 0.00 1.06 0.01 0.00 0.00 0.00 0.00 55.69 56.75 2k77 s MET 2 Cb 0.00 -2.01 0.37 0.00 0.00 0.00 0.00 34.83 33.18 2k77 s MET 2 CO 0.00 -0.94 1.72 0.27 0.00 0.00 0.00 175.02 176.07 2k77 h PHE 3 N -0.17 0.66 -2.07 -0.03 -5.15 -1.97 -3.47 116.94 104.73 2k77 h PHE 3 Ca -0.45 -0.13 -0.37 0.00 -0.20 0.00 0.00 57.97 56.82 2k77 h PHE 3 Cb 1.21 -0.17 -0.06 0.00 0.22 0.00 0.00 35.95 37.16 2k77 h PHE 3 CO 0.61 0.74 -0.43 0.41 -2.00 0.00 0.00 178.31 177.64 2k77 n GLY 4 N -0.43 0.30 3.61 6.09 0.00 -1.26 -5.01 105.19 108.48 2k77 n GLY 4 Ca 0.00 -0.12 -0.32 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 -4.49 2.52 0.11 1.61 1.81 -1.26 -5.07 118.95 114.18 2k77 s ARG 5 Ca 0.00 -0.76 0.07 0.00 -1.72 0.00 0.00 55.73 53.31 2k77 s ARG 5 Cb 0.00 -2.49 -0.04 0.00 -0.45 0.00 0.00 34.95 31.97 2k77 s ARG 5 CO 0.00 0.59 -0.16 -0.06 -0.68 0.00 0.00 175.30 174.99 2k77 s PHE 6 N -1.06 1.50 1.03 -0.53 0.40 -1.26 -0.59 117.98 117.46 2k77 s PHE 6 Ca 0.19 -0.49 -0.12 0.00 -0.60 0.00 0.00 56.93 55.90 2k77 s PHE 6 Cb -0.11 -0.80 0.20 0.00 0.51 0.00 0.00 43.02 42.82 2k77 s PHE 6 CO 0.09 0.16 1.08 0.95 0.70 0.00 0.00 175.22 178.21 2k77 s THR 7 N -1.72 2.09 0.16 0.64 -4.23 -0.36 -4.78 115.64 107.44 2k77 s THR 7 Ca 0.07 0.03 -0.15 0.00 -1.18 0.00 0.00 61.69 60.46 2k77 s THR 7 Cb -0.07 -2.44 0.03 0.00 1.34 0.00 0.00 72.50 71.36 2k77 s THR 7 CO 0.04 -0.04 1.79 -0.08 -0.54 0.00 0.00 174.62 175.79 2k77 h GLU 8 N -2.02 0.63 -0.22 3.99 4.81 -1.99 -0.79 114.58 119.00 2k77 h GLU 8 Ca -0.56 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 58.51 2k77 h GLU 8 Cb 1.33 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2k77 h GLU 8 CO 0.56 0.46 -0.30 0.00 -0.73 0.00 0.00 179.01 179.00 2k77 h ARG 9 N 0.62 0.45 -0.32 1.92 3.08 -1.97 -0.93 114.38 117.23 2k77 h ARG 9 Ca 0.17 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 2k77 h ARG 9 Cb -0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2k77 h ARG 9 CO -0.03 0.70 -0.12 0.00 -1.07 0.00 0.00 179.97 179.45 2k77 h ALA 10 N 1.29 0.44 -0.59 0.04 0.00 -1.83 -1.30 119.26 117.31 2k77 h ALA 10 Ca 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2k77 h ALA 10 Cb 0.73 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2k77 h ALA 10 CO 0.06 0.32 0.35 1.96 0.00 0.00 0.00 179.25 181.93 2k77 h GLN 11 N 0.41 0.80 -0.61 0.00 4.20 -0.99 -1.90 115.11 117.03 2k77 h GLN 11 Ca 0.07 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 2k77 h GLN 11 Cb 0.64 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 2k77 h GLN 11 CO 0.04 0.57 0.10 0.87 -0.67 0.00 0.00 178.83 179.74 2k77 h LYS 12 N 0.82 1.00 -0.63 1.46 1.57 -0.90 -0.16 116.57 119.72 2k77 h LYS 12 Ca 0.21 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 2k77 h LYS 12 Cb -0.02 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 2k77 h LYS 12 CO -0.04 0.95 0.20 -0.39 -0.57 0.00 0.00 179.45 179.60 2k77 h VAL 13 N 0.91 1.23 -0.03 0.50 -1.51 -0.71 -0.59 116.25 116.05 2k77 h VAL 13 Ca 0.18 -0.80 -0.19 0.00 -1.23 0.00 0.00 66.70 64.66 2k77 h VAL 13 Cb 0.43 0.53 -0.01 0.00 -2.13 0.00 0.00 31.29 30.12 2k77 h VAL 13 CO 0.01 0.31 -0.81 -0.07 -1.23 0.00 0.00 177.57 175.79 2k77 h LEU 14 N 0.92 0.39 -0.58 4.19 3.38 -1.19 0.87 115.31 123.30 2k77 h LEU 14 Ca 0.21 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 2k77 h LEU 14 Cb 0.25 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2k77 h LEU 14 CO -0.01 1.05 -0.13 0.00 0.09 0.00 0.00 178.44 179.44 2k77 h ALA 15 N 0.94 0.78 0.00 1.53 0.00 -0.91 -2.88 119.26 118.73 2k77 h ALA 15 Ca -0.04 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 2k77 h ALA 15 Cb 1.40 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2k77 h ALA 15 CO 0.13 0.67 -0.53 -0.07 0.00 0.00 0.00 179.25 179.45 2k77 h LEU 16 N 0.88 0.00 -1.02 0.00 3.38 -1.02 -2.51 115.31 115.02 2k77 h LEU 16 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2k77 h LEU 16 Cb 0.69 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2k77 h LEU 16 CO 0.05 0.53 0.50 0.00 0.09 0.00 0.00 178.44 179.61 2k77 h ALA 17 N 1.47 1.26 -0.35 1.53 0.00 -0.73 0.80 119.26 123.24 2k77 h ALA 17 Ca -0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2k77 h ALA 17 Cb 1.12 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2k77 h ALA 17 CO 0.07 0.62 0.05 0.37 0.00 0.00 0.00 179.25 180.36 2k77 h GLN 18 N 1.19 0.58 -0.37 0.00 4.15 -1.34 -1.46 115.11 117.86 2k77 h GLN 18 Ca 0.31 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.53 2k77 h GLN 18 Cb -0.02 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 2k77 h GLN 18 CO -0.05 0.66 0.08 1.49 -1.93 0.00 0.00 178.83 179.08 2k77 h GLU 19 N 0.41 0.59 -0.55 1.69 4.81 -1.07 -1.29 114.58 119.17 2k77 h GLU 19 Ca 0.10 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 2k77 h GLU 19 Cb 0.37 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2k77 h GLU 19 CO 0.01 0.64 0.02 0.93 -0.73 0.00 0.00 179.01 179.87 2k77 h GLU 20 N 0.45 0.93 0.10 1.92 4.39 -0.88 0.35 114.58 121.83 2k77 h GLU 20 Ca 0.11 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 2k77 h GLU 20 Cb 0.32 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2k77 h GLU 20 CO 0.00 0.91 -0.05 0.00 -1.16 0.00 0.00 179.01 178.72 2k77 h ALA 21 N 1.15 -0.13 -0.54 3.43 0.00 -1.14 -2.37 119.26 119.65 2k77 h ALA 21 Ca 0.16 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2k77 h ALA 21 Cb 0.49 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2k77 h ALA 21 CO 0.02 -0.57 0.06 -0.07 0.00 0.00 0.00 179.25 178.69 2k77 h LEU 22 N -0.13 0.83 -1.38 0.00 3.38 -1.03 0.97 115.31 117.95 2k77 h LEU 22 Ca -0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 2k77 h LEU 22 Cb 0.10 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2k77 h LEU 22 CO 0.02 0.86 0.15 -0.09 0.09 0.00 0.00 178.44 179.46 2k77 h ARG 23 N 0.82 0.57 -0.06 1.13 2.43 -0.88 -2.05 114.38 116.35 2k77 h ARG 23 Ca 0.17 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2k77 h ARG 23 Cb 0.41 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2k77 h ARG 23 CO 0.01 0.48 0.00 -0.11 -1.51 0.00 0.00 179.97 178.85 2k77 n LEU 24 N -4.37 1.49 -0.01 3.80 7.94 -0.90 -4.96 117.00 119.99 2k77 n LEU 24 Ca 0.03 -0.53 -0.00 0.00 -1.11 0.00 0.00 56.01 54.39 2k77 n LEU 24 Cb 0.15 -0.03 -0.00 0.00 0.53 0.00 0.00 43.42 44.08 2k77 n LEU 24 CO 0.37 0.27 -0.00 0.61 -1.11 0.00 0.00 177.39 177.53 2k77 n GLY 25 N 1.15 0.47 3.69 -3.96 0.00 -0.76 -4.06 105.19 101.73 2k77 n GLY 25 Ca 0.18 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2k77 n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k77 s HIS 26 N -1.98 3.48 -1.97 1.61 3.76 0.26 -2.50 115.29 117.96 2k77 s HIS 26 Ca 0.00 1.21 0.31 0.00 -0.15 0.00 0.00 55.06 56.43 2k77 s HIS 26 Cb 0.00 -2.90 1.84 0.00 1.11 0.00 0.00 32.58 32.63 2k77 s HIS 26 CO 0.00 -0.10 2.18 0.27 -0.85 0.00 0.00 174.74 176.23 2k77 n ASN 27 N 4.63 0.00 -4.16 1.40 0.23 -1.26 -3.48 115.26 112.63 2k77 n ASN 27 Ca 0.01 -0.93 -0.15 0.00 -0.53 0.00 0.00 54.58 52.99 2k77 n ASN 27 Cb 0.50 -0.02 -0.11 0.00 -2.08 0.00 0.00 39.78 38.07 2k77 n ASN 27 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 2k77 s ASN 28 N -2.03 1.39 -0.32 0.53 0.01 -1.26 -3.06 114.94 110.19 2k77 s ASN 28 Ca 0.46 -0.74 -0.16 0.00 -0.71 0.00 0.00 52.86 51.71 2k77 s ASN 28 Cb 0.21 0.00 -0.02 0.00 0.41 0.00 0.00 41.25 41.86 2k77 s ASN 28 CO 0.37 -0.22 0.40 -0.63 -1.51 0.00 0.00 177.10 175.50 2k77 s ILE 29 N -2.09 5.13 0.65 0.60 1.01 0.28 -4.87 121.20 121.90 2k77 s ILE 29 Ca 0.02 0.30 0.06 0.00 0.00 0.00 0.00 60.65 61.04 2k77 s ILE 29 Cb -0.05 -3.81 0.11 0.00 0.01 0.00 0.00 42.46 38.72 2k77 s ILE 29 CO 0.00 -0.03 0.89 -0.83 0.00 0.00 0.00 174.94 174.97 2k77 s GLY 30 N 1.71 1.71 0.26 6.18 0.00 -1.26 -1.49 107.32 114.43 2k77 s GLY 30 Ca 0.15 -2.10 -0.02 0.00 0.00 0.00 0.00 44.72 42.75 2k77 s GLY 30 CO 0.11 -1.55 1.84 -0.91 0.00 0.00 0.00 173.10 172.59 2k77 h THR 31 N -0.13 0.97 -0.61 0.90 1.35 -1.92 -1.72 112.91 111.74 2k77 h THR 31 Ca -0.30 -0.33 0.13 0.00 -0.55 0.00 0.00 66.41 65.35 2k77 h THR 31 Cb 1.28 -0.08 -0.10 0.00 -1.73 0.00 0.00 68.15 67.52 2k77 h THR 31 CO 0.39 0.17 -0.02 1.05 -0.25 0.00 0.00 175.52 176.86 2k77 h GLU 32 N 0.96 0.09 -0.02 4.72 9.09 -1.94 -0.47 114.58 127.02 2k77 h GLU 32 Ca 0.43 -0.01 -0.18 0.00 0.05 0.00 0.00 59.36 59.66 2k77 h GLU 32 Cb 0.34 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.40 2k77 h GLU 32 CO -0.23 0.06 -0.79 0.45 0.05 0.00 0.00 179.01 178.55 2k77 h HIS 33 N 0.09 0.25 -0.43 2.06 3.86 -1.70 -0.23 115.15 119.06 2k77 h HIS 33 Ca 0.31 -0.13 -0.06 0.00 -1.16 0.00 0.00 60.37 59.34 2k77 h HIS 33 Cb 0.50 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 2k77 h HIS 33 CO -0.38 0.89 0.05 0.82 0.86 0.00 0.00 177.93 180.17 2k77 h ILE 34 N 0.11 1.25 -0.43 2.45 2.04 -1.05 0.93 117.51 122.81 2k77 h ILE 34 Ca -0.03 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 64.87 2k77 h ILE 34 Cb 1.38 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 2k77 h ILE 34 CO 0.12 0.32 0.10 0.25 0.00 0.00 0.00 178.15 178.94 2k77 h LEU 35 N 0.58 0.65 -0.93 1.44 5.85 -0.97 -0.78 115.31 121.16 2k77 h LEU 35 Ca 0.13 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 2k77 h LEU 35 Cb 0.40 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2k77 h LEU 35 CO 0.01 0.71 0.02 0.25 -0.34 0.00 0.00 178.44 179.10 2k77 h LEU 36 N 0.56 0.77 -0.83 2.25 5.85 -0.98 -2.26 115.31 120.67 2k77 h LEU 36 Ca 0.13 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2k77 h LEU 36 Cb 0.32 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2k77 h LEU 36 CO 0.00 0.83 0.26 1.23 -0.34 0.00 0.00 178.44 180.42 2k77 h GLY 37 N 0.97 1.21 0.68 3.75 0.00 -0.67 -0.98 103.07 108.03 2k77 h GLY 37 Ca 0.15 -0.68 0.03 0.00 0.00 0.00 0.00 47.33 46.83 2k77 h GLY 37 CO 0.02 0.64 -0.06 1.41 0.00 0.00 0.00 176.54 178.55 2k77 h LEU 38 N 1.09 -0.21 -0.61 3.11 3.38 -0.60 -0.57 115.31 120.91 2k77 h LEU 38 Ca 0.24 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 2k77 h LEU 38 Cb 0.26 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2k77 h LEU 38 CO -0.01 -0.09 -0.59 -0.37 0.09 0.00 0.00 178.44 177.47 2k77 h VAL 39 N -0.06 1.24 -0.11 1.22 -1.51 -1.37 -1.06 116.25 114.61 2k77 h VAL 39 Ca 0.07 -2.16 -0.09 0.00 -1.23 0.00 0.00 66.70 63.30 2k77 h VAL 39 Cb 0.16 2.22 -0.01 0.00 -2.13 0.00 0.00 31.29 31.53 2k77 h VAL 39 CO -0.16 0.58 -0.33 -0.09 -1.23 0.00 0.00 177.57 176.35 2k77 h ARG 40 N 0.00 0.20 -0.01 5.19 9.65 -0.98 -3.07 114.38 125.36 2k77 h ARG 40 Ca -0.01 -0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 58.79 2k77 h ARG 40 Cb 1.18 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 2k77 h ARG 40 CO 0.08 0.51 -0.03 1.49 2.80 0.00 0.00 179.97 184.82 2k77 h GLU 41 N 0.18 0.04 0.00 0.20 4.22 -0.95 -3.48 114.58 114.79 2k77 h GLU 41 Ca 0.02 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2k77 h GLU 41 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2k77 h GLU 41 CO 0.05 0.65 0.00 0.41 -2.18 0.00 0.00 179.01 177.94 2k77 n GLY 42 N 0.60 1.30 0.00 1.92 0.00 -0.42 -4.72 105.19 103.87 2k77 n GLY 42 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 6.33 -0.98 1.61 1.02 -1.26 -4.49 120.64 120.87 2k77 n GLU 43 Ca 0.00 -0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 2k77 n GLU 43 Cb 0.00 -0.56 0.14 0.00 -0.02 0.00 0.00 31.44 31.00 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 -1.12 1.93 0.24 0.62 0.00 -1.26 -4.80 107.32 102.94 2k77 s GLY 44 Ca 0.00 0.69 -0.05 0.00 0.00 0.00 0.00 44.72 45.36 2k77 s GLY 44 CO 0.02 1.10 1.84 -2.22 0.00 0.00 0.00 173.10 173.84 2k77 h ILE 45 N -1.28 1.01 -0.37 0.90 1.08 -1.96 -0.42 117.51 116.47 2k77 h ILE 45 Ca -0.45 -0.32 -0.03 0.00 -0.39 0.00 0.00 64.86 63.66 2k77 h ILE 45 Cb 1.28 -0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 2k77 h ILE 45 CO 0.45 0.17 0.10 0.00 -0.69 0.00 0.00 178.15 178.18 2k77 h ALA 46 N 1.42 0.49 -0.79 1.87 0.00 -1.90 0.43 119.26 120.77 2k77 h ALA 46 Ca 0.39 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2k77 h ALA 46 Cb 0.22 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2k77 h ALA 46 CO -0.19 0.15 0.31 0.00 0.00 0.00 0.00 179.25 179.51 2k77 h ALA 47 N 0.95 1.04 -0.16 0.00 0.00 -1.72 -0.32 119.26 119.04 2k77 h ALA 47 Ca 0.12 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2k77 h ALA 47 Cb 0.28 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2k77 h ALA 47 CO -0.00 0.67 -0.28 -0.22 0.00 0.00 0.00 179.25 179.42 2k77 h LYS 48 N 1.16 0.31 -0.42 0.00 1.63 -0.96 -1.31 116.57 116.98 2k77 h LYS 48 Ca 0.26 -0.11 -0.12 0.00 -0.85 0.00 0.00 60.65 59.83 2k77 h LYS 48 Cb 0.23 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 2k77 h LYS 48 CO -0.02 0.57 -0.21 0.00 -3.45 0.00 0.00 179.45 176.34 2k77 h ALA 49 N 1.44 0.59 -0.28 5.00 0.00 -0.41 0.16 119.26 125.76 2k77 h ALA 49 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2k77 h ALA 49 Cb 0.64 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2k77 h ALA 49 CO 0.05 0.56 0.18 -0.07 0.00 0.00 0.00 179.25 179.97 2k77 h LEU 50 N 0.71 0.32 -0.98 0.00 3.38 -0.85 -1.68 115.31 116.21 2k77 h LEU 50 Ca 0.09 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2k77 h LEU 50 Cb 0.77 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2k77 h LEU 50 CO 0.06 0.24 0.42 1.56 0.09 0.00 0.00 178.44 180.80 2k77 h GLN 51 N 0.38 1.14 -0.22 1.13 4.20 -1.18 -2.00 115.11 118.55 2k77 h GLN 51 Ca 0.10 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 2k77 h GLN 51 Cb -0.04 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 2k77 h GLN 51 CO -0.02 0.85 -0.14 0.00 -0.67 0.00 0.00 178.83 178.85 2k77 h ALA 52 N 1.32 1.36 0.00 3.87 0.00 -0.70 -1.67 119.26 123.44 2k77 h ALA 52 Ca 0.28 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2k77 h ALA 52 Cb 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2k77 h ALA 52 CO -0.04 0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.92 2k77 n LEU 53 N -4.23 0.00 0.00 0.00 4.77 -0.66 -4.86 117.00 112.02 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 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 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 0.26 0.73 1.15 -0.72 0.00 -0.63 -5.00 105.19 100.98 2k77 n GLY 54 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.61 0.99 4.77 -0.78 -4.99 117.00 113.38 2k77 n LEU 55 Ca 0.00 -0.49 -0.00 0.00 -0.03 0.00 0.00 56.01 55.48 2k77 n LEU 55 Cb 0.00 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 2k77 n LEU 55 CO 0.00 -0.74 1.08 -0.83 -1.33 0.00 0.00 177.39 175.57 2k77 s GLY 56 N -3.65 -0.37 0.21 -0.72 0.00 -1.26 -4.32 107.32 97.21 2k77 s GLY 56 Ca 0.22 1.14 -0.10 0.00 0.00 0.00 0.00 44.72 45.98 2k77 s GLY 56 CO 0.15 0.31 1.87 1.48 0.00 0.00 0.00 173.10 176.91 2k77 h SER 57 N 2.00 0.89 -0.30 1.64 4.64 -1.98 -1.94 113.55 118.49 2k77 h SER 57 Ca -0.21 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 2k77 h SER 57 Cb 1.18 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 2k77 h SER 57 CO 0.26 0.66 0.14 -0.08 -0.87 0.00 0.00 176.83 176.94 2k77 h GLU 58 N 1.04 0.44 -0.33 4.77 4.57 -1.97 -0.20 114.58 122.90 2k77 h GLU 58 Ca 0.28 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.38 2k77 h GLU 58 Cb -0.09 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.41 2k77 h GLU 58 CO -0.06 0.42 0.17 0.87 -1.18 0.00 0.00 179.01 179.24 2k77 h LYS 59 N 0.35 0.46 -0.18 1.92 1.57 -1.88 -0.88 116.57 117.94 2k77 h LYS 59 Ca 0.10 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 2k77 h LYS 59 Cb 0.13 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2k77 h LYS 59 CO -0.01 0.40 -0.35 0.82 -0.57 0.00 0.00 179.45 179.74 2k77 h ILE 60 N 0.40 1.34 -0.94 1.86 2.04 -1.36 -2.92 117.51 117.94 2k77 h ILE 60 Ca 0.11 -1.59 -0.01 0.00 1.00 0.00 0.00 64.86 64.38 2k77 h ILE 60 Cb 0.08 1.91 -0.05 0.00 -0.74 0.00 0.00 36.82 38.03 2k77 h ILE 60 CO -0.02 0.48 0.55 -0.61 0.00 0.00 0.00 178.15 178.56 2k77 h GLN 61 N 0.21 1.28 -0.11 2.37 4.15 -0.93 0.03 115.11 122.11 2k77 h GLN 61 Ca 0.01 -0.12 0.01 0.00 0.77 0.00 0.00 58.65 59.31 2k77 h GLN 61 Cb 0.94 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 28.36 2k77 h GLN 61 CO 0.08 0.90 0.03 -0.22 -1.93 0.00 0.00 178.83 177.69 2k77 h LYS 62 N 1.30 0.08 -0.13 1.69 3.11 -1.17 -0.66 116.57 120.79 2k77 h LYS 62 Ca 0.34 -0.01 -0.13 0.00 -2.81 0.00 0.00 60.65 58.04 2k77 h LYS 62 Cb -0.04 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.16 2k77 h LYS 62 CO -0.06 0.06 -0.49 0.93 -2.81 0.00 0.00 179.45 177.07 2k77 h GLU 63 N 0.09 0.33 0.29 1.90 4.39 -1.28 -0.43 114.58 119.87 2k77 h GLU 63 Ca 0.05 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 2k77 h GLU 63 Cb 0.03 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2k77 h GLU 63 CO -0.05 0.75 -0.14 0.28 -1.16 0.00 0.00 179.01 178.69 2k77 h VAL 64 N 0.27 0.74 0.00 3.13 2.07 -0.88 -3.07 116.25 118.51 2k77 h VAL 64 Ca 0.01 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2k77 h VAL 64 Cb 0.96 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2k77 h VAL 64 CO 0.08 0.06 -0.10 -0.33 0.02 0.00 0.00 177.57 177.30 2k77 h GLU 65 N -0.54 0.00 0.00 1.57 5.08 -1.06 -0.48 114.58 119.15 2k77 h GLU 65 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2k77 h GLU 65 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2k77 h GLU 65 CO 0.07 0.10 0.00 0.77 -1.00 0.00 0.00 179.01 178.95 2k77 h SER 66 N 0.00 0.00 0.00 1.42 0.02 -0.97 -0.31 113.55 113.71 2k77 h SER 66 Ca -0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2k77 h SER 66 Cb 0.41 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 2k77 h SER 66 CO 0.01 0.00 -1.25 0.18 -1.14 0.00 0.00 176.83 174.63 2k77 n LEU 67 N -2.41 0.00 0.00 5.07 4.77 -0.37 -4.82 117.00 119.24 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 0.16 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2k77 n LEU 67 CO 0.17 0.08 0.23 2.30 -1.33 0.00 0.00 177.39 178.83 2k77 n ILE 68 N -2.04 0.14 0.71 -0.08 -5.35 -0.33 -4.92 119.36 107.49 2k77 n ILE 68 Ca -0.05 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 2k77 n ILE 68 Cb 0.52 1.16 0.00 0.00 -1.74 0.00 0.00 39.64 39.58 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 -0.07 1.31 0.42 3.28 0.00 -0.13 -2.86 105.19 107.14 2k77 n GLY 69 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 2k77 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k77 n ARG 70 N 0.50 1.48 0.00 1.61 5.12 -1.26 -5.03 116.66 119.08 2k77 n ARG 70 Ca 0.00 -0.88 0.00 0.00 -1.93 0.00 0.00 57.85 55.04 2k77 n ARG 70 Cb 0.30 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.24 2k77 n ARG 70 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k77 n GLY 71 N 1.27 -0.79 0.32 -0.13 0.00 -1.14 -5.05 105.19 99.67 2k77 n GLY 71 Ca 0.08 -1.11 -0.01 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.56 0.08 -3.97 1.61 7.27 -1.04 -4.86 117.38 115.90 2k77 n GLN 72 Ca 0.00 -0.24 -0.24 0.00 0.07 0.00 0.00 57.00 56.59 2k77 n GLN 72 Cb 0.00 0.25 -0.06 0.00 2.41 0.00 0.00 30.24 32.84 2k77 n GLN 72 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2k77 s GLU 73 N -2.05 2.31 -1.55 3.69 2.12 -1.24 -4.69 118.70 117.28 2k77 s GLU 73 Ca 0.02 -1.78 -0.11 0.00 0.36 0.00 0.00 54.97 53.47 2k77 s GLU 73 Cb -0.00 -2.09 0.09 0.00 0.26 0.00 0.00 34.13 32.39 2k77 s GLU 73 CO 0.02 -0.17 0.74 0.00 -0.54 0.00 0.00 175.26 175.31 2k77 n MET 74 N -1.35 -3.97 -1.89 4.30 0.00 -1.26 -4.25 117.12 108.70 2k77 n MET 74 Ca -0.00 0.46 -0.23 0.00 0.00 0.00 0.00 57.70 57.93 2k77 n MET 74 Cb 0.64 -5.06 -0.08 0.00 0.00 0.00 0.00 33.22 28.72 2k77 n MET 74 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2k77 s SER 75 N -3.66 4.46 0.24 3.17 1.04 -1.26 -4.67 113.70 113.02 2k77 s SER 75 Ca 0.47 -1.23 -0.20 0.00 0.48 0.00 0.00 55.95 55.47 2k77 s SER 75 Cb -0.25 -2.59 0.03 0.00 0.10 0.00 0.00 66.02 63.31 2k77 s SER 75 CO 0.88 -3.63 0.64 0.00 0.98 0.00 0.00 173.24 172.11 2k77 s GLN 76 N 7.31 1.62 -0.79 4.02 1.03 -1.26 -4.95 119.66 126.63 2k77 s GLN 76 Ca 0.74 -0.92 -0.02 0.00 0.04 0.00 0.00 55.36 55.20 2k77 s GLN 76 Cb -0.03 0.58 0.00 0.00 0.03 0.00 0.00 33.01 33.59 2k77 s GLN 76 CO 0.13 -0.72 0.62 2.41 -2.54 0.00 0.00 175.29 175.18 2k77 n THR 77 N -0.42 -4.22 -1.73 3.63 -1.04 -1.26 -4.83 114.28 104.41 2k77 n THR 77 Ca -0.07 -0.03 -0.39 0.00 -2.04 0.00 0.00 64.05 61.52 2k77 n THR 77 Cb 0.61 -3.46 0.03 0.00 -1.82 0.00 0.00 70.33 65.69 2k77 n THR 77 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2k77 n ILE 78 N -2.38 3.44 -4.52 12.58 -0.00 -1.26 -4.98 119.36 122.25 2k77 n ILE 78 Ca -0.27 -0.50 -0.24 0.00 -0.00 0.00 0.00 62.75 61.74 2k77 n ILE 78 Cb 0.67 -1.65 -0.11 0.00 -0.00 0.00 0.00 39.64 38.56 2k77 n ILE 78 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 2k77 s HIS 79 N -1.27 2.20 -0.12 1.39 3.76 -1.17 -5.01 115.29 115.07 2k77 s HIS 79 Ca 0.68 -0.79 -0.04 0.00 -0.15 0.00 0.00 55.06 54.76 2k77 s HIS 79 Cb -0.44 -1.46 -0.04 0.00 1.11 0.00 0.00 32.58 31.75 2k77 s HIS 79 CO 0.52 0.24 0.04 0.71 -0.85 0.00 0.00 174.74 175.40 2k77 s TYR 80 N -3.00 3.27 0.88 1.40 1.51 -1.26 -0.56 117.35 119.59 2k77 s TYR 80 Ca 0.35 0.22 -0.11 0.00 -1.01 0.00 0.00 57.07 56.52 2k77 s TYR 80 Cb 0.08 -1.89 0.12 0.00 -0.11 0.00 0.00 41.96 40.16 2k77 s TYR 80 CO 0.16 0.44 1.10 0.95 -1.11 0.00 0.00 175.55 177.09 2k77 s THR 81 N -0.60 2.71 0.42 -0.71 -4.23 -0.56 -4.75 115.64 107.92 2k77 s THR 81 Ca 0.11 0.23 0.13 0.00 -1.18 0.00 0.00 61.69 60.97 2k77 s THR 81 Cb -0.12 -2.59 0.33 0.00 1.34 0.00 0.00 72.50 71.46 2k77 s THR 81 CO 0.02 -0.30 1.96 -0.65 -0.54 0.00 0.00 174.62 175.11 2k77 h PRO 82 N -1.57 0.46 -0.24 3.99 0.11 -1.99 0.62 132.00 133.39 2k77 h PRO 82 Ca -0.47 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.41 2k77 h PRO 82 Cb 1.27 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k77 h PRO 82 CO 0.50 0.31 -0.63 0.00 -0.21 0.00 0.00 178.00 177.97 2k77 h ARG 83 N 0.48 0.85 -0.50 1.05 2.47 -1.95 -1.08 114.38 115.71 2k77 h ARG 83 Ca 0.31 -0.59 -0.13 0.00 -1.26 0.00 0.00 59.98 58.30 2k77 h ARG 83 Cb 0.57 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 2k77 h ARG 83 CO -0.10 1.22 -0.20 0.00 0.56 0.00 0.00 179.97 181.46 2k77 h ALA 84 N 0.63 0.70 -0.61 0.04 0.00 -1.67 -0.48 119.26 117.88 2k77 h ALA 84 Ca -0.01 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2k77 h ALA 84 Cb 1.25 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2k77 h ALA 84 CO 0.14 0.68 0.38 -0.22 0.00 0.00 0.00 179.25 180.22 2k77 h LYS 85 N 0.88 0.82 -0.39 0.00 3.64 -0.90 -0.04 116.57 120.58 2k77 h LYS 85 Ca 0.12 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2k77 h LYS 85 Cb 0.78 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 2k77 h LYS 85 CO 0.06 0.57 0.24 -0.22 -2.27 0.00 0.00 179.45 177.84 2k77 h LYS 86 N 0.82 0.48 -0.49 1.90 3.64 -1.06 -1.29 116.57 120.56 2k77 h LYS 86 Ca 0.22 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.61 2k77 h LYS 86 Cb -0.04 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.63 2k77 h LYS 86 CO -0.04 0.32 0.25 0.28 -2.27 0.00 0.00 179.45 177.98 2k77 h VAL 87 N 0.49 0.96 -0.64 2.00 2.07 -0.73 -0.04 116.25 120.37 2k77 h VAL 87 Ca 0.15 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2k77 h VAL 87 Cb -0.02 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 2k77 h VAL 87 CO -0.05 0.09 0.38 0.40 0.02 0.00 0.00 177.57 178.41 2k77 h ILE 88 N 0.49 1.19 -0.37 4.57 1.08 -0.66 0.11 117.51 123.91 2k77 h ILE 88 Ca 0.22 -0.42 -0.05 0.00 -0.39 0.00 0.00 64.86 64.21 2k77 h ILE 88 Cb 0.12 0.32 -0.01 0.00 -3.07 0.00 0.00 36.82 34.18 2k77 h ILE 88 CO -0.15 0.19 0.03 -0.33 -0.69 0.00 0.00 178.15 177.21 2k77 h GLU 89 N 0.86 0.63 -0.15 2.37 5.08 -1.02 -2.85 114.58 119.51 2k77 h GLU 89 Ca 0.23 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2k77 h GLU 89 Cb -0.02 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2k77 h GLU 89 CO -0.04 0.72 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.54 2k77 h LEU 90 N 0.47 0.20 -0.23 1.33 3.38 -0.71 -1.42 115.31 118.33 2k77 h LEU 90 Ca 0.11 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2k77 h LEU 90 Cb 0.41 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2k77 h LEU 90 CO 0.01 0.31 -0.03 0.28 0.09 0.00 0.00 178.44 179.11 2k77 h SER 91 N 0.22 0.43 0.64 -0.43 0.02 -0.63 -0.60 113.55 113.18 2k77 h SER 91 Ca 0.05 -0.34 -0.15 0.00 -0.84 0.00 0.00 61.79 60.51 2k77 h SER 91 Cb 0.27 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 2k77 h SER 91 CO 0.01 0.67 -0.70 0.00 -1.14 0.00 0.00 176.83 175.67 2k77 h MET 92 N 0.18 0.05 -0.34 3.45 -0.00 -1.38 -0.40 114.93 116.49 2k77 h MET 92 Ca 0.06 -0.05 -0.08 0.00 -0.00 0.00 0.00 59.70 59.64 2k77 h MET 92 Cb 0.47 0.01 -0.02 0.00 -0.00 0.00 0.00 31.60 32.06 2k77 h MET 92 CO 0.02 0.73 -0.12 0.22 -0.00 0.00 0.00 176.91 177.77 2k77 h ASP 93 N 0.03 0.56 0.20 -0.10 3.58 -1.19 -1.26 116.42 118.25 2k77 h ASP 93 Ca -0.01 -0.15 -0.23 0.00 0.42 0.00 0.00 57.03 57.06 2k77 h ASP 93 Cb 1.24 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 42.15 2k77 h ASP 93 CO 0.10 0.71 -0.93 -0.33 -2.88 0.00 0.00 179.24 175.90 2k77 h GLU 94 N 0.53 0.52 -0.89 0.28 4.39 -1.00 -2.68 114.58 115.73 2k77 h GLU 94 Ca 0.10 -0.53 0.04 0.00 0.34 0.00 0.00 59.36 59.31 2k77 h GLU 94 Cb 0.51 0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.25 2k77 h GLU 94 CO 0.03 1.16 0.57 0.00 -1.16 0.00 0.00 179.01 179.61 2k77 h ALA 95 N 0.66 1.19 -0.78 3.43 0.00 -0.90 -1.39 119.26 121.46 2k77 h ALA 95 Ca -0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2k77 h ALA 95 Cb 1.57 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2k77 h ALA 95 CO 0.17 0.40 0.35 -0.09 0.00 0.00 0.00 179.25 180.08 2k77 h ARG 96 N 1.09 1.14 -0.46 0.00 2.43 -1.28 -0.37 114.38 116.93 2k77 h ARG 96 Ca 0.36 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 2k77 h ARG 96 Cb 0.05 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 2k77 h ARG 96 CO -0.13 0.89 0.16 -0.22 -1.51 0.00 0.00 179.97 179.15 2k77 h LYS 97 N 1.12 0.67 -0.21 0.20 1.63 -0.92 -1.30 116.57 117.76 2k77 h LYS 97 Ca 0.27 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 2k77 h LYS 97 Cb 0.15 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 2k77 h LYS 97 CO -0.03 0.58 0.00 1.28 -3.45 0.00 0.00 179.45 177.83 2k77 n LEU 98 N -4.34 1.62 0.00 5.20 7.99 -0.72 -4.96 117.00 121.79 2k77 n LEU 98 Ca 0.03 -0.72 0.00 0.00 -0.01 0.00 0.00 56.01 55.31 2k77 n LEU 98 Cb 0.17 -0.14 0.00 0.00 -0.11 0.00 0.00 43.42 43.35 2k77 n LEU 98 CO 0.38 0.36 0.00 0.61 -1.51 0.00 0.00 177.39 177.23 2k77 n GLY 99 N 1.08 0.43 3.84 -0.72 0.00 -0.49 -5.06 105.19 104.28 2k77 n GLY 99 Ca 0.15 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 2k77 n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k77 s HIS 100 N -2.00 3.54 -2.05 1.61 3.76 -0.19 -4.98 115.29 114.98 2k77 s HIS 100 Ca 0.00 1.21 0.16 0.00 -0.15 0.00 0.00 55.06 56.28 2k77 s HIS 100 Cb 0.00 -2.50 0.46 0.00 1.11 0.00 0.00 32.58 31.65 2k77 s HIS 100 CO 0.00 0.29 1.37 -1.13 -0.85 0.00 0.00 174.74 174.42 2k77 n SER 101 N 0.36 2.52 -3.60 1.40 3.41 -1.26 -3.98 113.62 112.46 2k77 n SER 101 Ca -0.01 -1.97 -0.12 0.00 -0.26 0.00 0.00 58.87 56.51 2k77 n SER 101 Cb 0.52 -0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 64.12 2k77 n SER 101 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2k77 s TYR 102 N -1.41 -0.32 -0.29 7.33 -0.85 -1.26 -4.64 117.35 115.91 2k77 s TYR 102 Ca 0.32 0.19 -0.20 0.00 -0.52 0.00 0.00 57.07 56.86 2k77 s TYR 102 Cb 0.17 0.31 -0.01 0.00 0.38 0.00 0.00 41.96 42.80 2k77 s TYR 102 CO 0.23 -0.67 0.62 0.08 -1.52 0.00 0.00 175.55 174.29 2k77 s VAL 103 N -3.07 4.96 0.70 -3.49 1.01 0.24 -4.89 120.40 115.86 2k77 s VAL 103 Ca -0.02 0.94 -0.06 0.00 0.00 0.00 0.00 61.98 62.85 2k77 s VAL 103 Cb 0.00 -3.97 0.07 0.00 0.00 0.00 0.00 36.38 32.48 2k77 s VAL 103 CO -0.07 -0.08 1.00 -0.83 0.00 0.00 0.00 175.10 175.12 2k77 s GLY 104 N 1.58 1.71 0.28 4.51 0.00 -1.26 -1.22 107.32 112.92 2k77 s GLY 104 Ca 0.25 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 43.94 2k77 s GLY 104 CO 0.11 -0.61 1.88 -0.91 0.00 0.00 0.00 173.10 173.57 2k77 h THR 105 N -0.56 1.06 -0.54 0.90 1.35 -1.93 -1.57 112.91 111.62 2k77 h THR 105 Ca -0.44 -0.39 0.10 0.00 -0.55 0.00 0.00 66.41 65.14 2k77 h THR 105 Cb 1.31 -0.17 -0.11 0.00 -1.73 0.00 0.00 68.15 67.46 2k77 h THR 105 CO 0.58 0.21 -0.26 1.05 -0.25 0.00 0.00 175.52 176.85 2k77 h GLU 106 N 1.13 -0.12 0.00 4.72 9.09 -1.94 -1.78 114.58 125.67 2k77 h GLU 106 Ca 0.44 0.01 -0.13 0.00 0.05 0.00 0.00 59.36 59.73 2k77 h GLU 106 Cb 0.22 0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.33 2k77 h GLU 106 CO -0.18 -0.08 -0.60 0.45 0.05 0.00 0.00 179.01 178.65 2k77 h HIS 107 N -0.13 0.00 -0.31 2.06 3.86 -1.68 -1.63 115.15 117.33 2k77 h HIS 107 Ca 0.24 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.45 2k77 h HIS 107 Cb 0.51 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 2k77 h HIS 107 CO -0.55 0.60 0.19 0.82 0.86 0.00 0.00 177.93 179.85 2k77 h ILE 108 N 0.00 1.11 -0.57 2.45 2.04 -0.86 -0.85 117.51 120.84 2k77 h ILE 108 Ca -0.01 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 2k77 h ILE 108 Cb 1.10 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 2k77 h ILE 108 CO 0.08 0.11 0.22 0.25 0.00 0.00 0.00 178.15 178.81 2k77 h LEU 109 N 0.40 0.80 -1.15 1.44 5.85 -1.05 -1.42 115.31 120.17 2k77 h LEU 109 Ca 0.11 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.75 2k77 h LEU 109 Cb 0.02 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.78 2k77 h LEU 109 CO -0.02 0.76 0.59 -0.07 -0.34 0.00 0.00 178.44 179.36 2k77 h LEU 110 N 0.79 0.85 -0.47 2.25 3.38 -1.12 -1.54 115.31 119.44 2k77 h LEU 110 Ca 0.19 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2k77 h LEU 110 Cb 0.22 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2k77 h LEU 110 CO -0.01 0.50 0.25 1.23 0.09 0.00 0.00 178.44 180.49 2k77 h GLY 111 N 0.94 0.72 0.95 0.83 0.00 -0.58 -1.52 103.07 104.41 2k77 h GLY 111 Ca 0.42 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 2k77 h GLY 111 CO -0.19 0.32 0.02 1.41 0.00 0.00 0.00 176.54 178.11 2k77 h LEU 112 N 0.62 0.04 -0.62 3.11 3.38 -0.33 -1.87 115.31 119.64 2k77 h LEU 112 Ca 0.17 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 2k77 h LEU 112 Cb 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2k77 h LEU 112 CO -0.02 0.07 -0.29 0.16 0.09 0.00 0.00 178.44 178.45 2k77 h ILE 113 N -0.01 1.28 0.00 1.22 3.07 -1.39 -3.18 117.51 118.50 2k77 h ILE 113 Ca 0.01 -1.43 -0.06 0.00 1.55 0.00 0.00 64.86 64.92 2k77 h ILE 113 Cb 0.04 1.32 -0.01 0.00 -0.27 0.00 0.00 36.82 37.90 2k77 h ILE 113 CO -0.00 0.47 -0.30 -0.09 -1.05 0.00 0.00 178.15 177.18 2k77 h ARG 114 N 0.65 0.00 -0.15 0.16 2.43 -1.14 -2.55 114.38 113.78 2k77 h ARG 114 Ca 0.08 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2k77 h ARG 114 Cb 0.82 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 2k77 h ARG 114 CO 0.07 0.30 0.01 1.49 -1.51 0.00 0.00 179.97 180.33 2k77 h GLU 115 N 0.00 0.27 0.00 0.20 4.22 -1.34 -3.47 114.58 114.45 2k77 h GLU 115 Ca -0.00 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.36 2k77 h GLU 115 Cb 0.62 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2k77 h GLU 115 CO 0.04 0.48 0.00 0.41 -2.18 0.00 0.00 179.01 177.76 2k77 n GLY 116 N -0.33 2.38 0.02 1.92 0.00 -0.96 -4.69 105.19 103.52 2k77 n GLY 116 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 2k77 n GLY 116 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k77 n GLU 117 N -1.86 2.37 -0.72 1.61 2.13 -1.26 -4.70 120.64 118.21 2k77 n GLU 117 Ca 0.00 -0.01 -0.30 0.00 0.66 0.00 0.00 57.16 57.51 2k77 n GLU 117 Cb 0.00 -1.12 0.19 0.00 0.27 0.00 0.00 31.44 30.78 2k77 n GLU 117 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2k77 s GLY 118 N -3.30 1.63 0.36 8.31 0.00 -1.26 -4.80 107.32 108.27 2k77 s GLY 118 Ca -0.02 0.27 0.06 0.00 0.00 0.00 0.00 44.72 45.03 2k77 s GLY 118 CO 0.20 0.79 1.95 -2.08 0.00 0.00 0.00 173.10 173.96 2k77 h VAL 119 N -2.06 1.00 -0.59 1.40 2.07 -1.95 -2.17 116.25 113.94 2k77 h VAL 119 Ca -0.50 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 66.82 2k77 h VAL 119 Cb 1.29 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 2k77 h VAL 119 CO 0.46 0.14 0.30 0.00 0.02 0.00 0.00 177.57 178.49 2k77 h ALA 120 N 1.61 0.77 -0.39 1.67 0.00 -1.92 0.41 119.26 121.41 2k77 h ALA 120 Ca 0.33 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 2k77 h ALA 120 Cb 0.32 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2k77 h ALA 120 CO -0.11 -0.05 -0.10 0.00 0.00 0.00 0.00 179.25 178.99 2k77 h ALA 121 N 1.32 1.11 -0.38 0.00 0.00 -1.60 -2.03 119.26 117.68 2k77 h ALA 121 Ca 0.27 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2k77 h ALA 121 Cb 0.19 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2k77 h ALA 121 CO -0.19 0.56 0.09 0.00 0.00 0.00 0.00 179.25 179.71 2k77 h ARG 122 N 0.62 0.61 0.01 0.00 2.47 -1.19 -1.59 114.38 115.32 2k77 h ARG 122 Ca 0.11 -0.15 0.01 0.00 -1.26 0.00 0.00 59.98 58.70 2k77 h ARG 122 Cb 0.53 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 2k77 h ARG 122 CO 0.03 0.65 -0.08 0.28 0.56 0.00 0.00 179.97 181.41 2k77 h VAL 123 N 0.47 0.80 -0.51 2.04 2.07 -0.81 -0.31 116.25 120.00 2k77 h VAL 123 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2k77 h VAL 123 Cb 0.31 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2k77 h VAL 123 CO 0.00 0.00 0.33 -0.07 0.02 0.00 0.00 177.57 177.85 2k77 h LEU 124 N -0.14 0.59 -0.96 2.57 3.38 -1.33 -1.85 115.31 117.57 2k77 h LEU 124 Ca 0.03 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2k77 h LEU 124 Cb 0.18 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2k77 h LEU 124 CO -0.07 0.44 -0.18 0.78 0.09 0.00 0.00 178.44 179.50 2k77 h ASN 125 N 0.69 0.54 -0.51 -0.43 -0.26 -1.08 0.91 115.58 115.43 2k77 h ASN 125 Ca 0.19 -0.16 -0.09 0.00 -0.56 0.00 0.00 56.30 55.67 2k77 h ASN 125 Cb -0.06 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.03 2k77 h ASN 125 CO -0.04 0.73 -0.01 0.78 -1.06 0.00 0.00 177.43 177.84 2k77 h ASN 126 N 0.49 0.93 0.55 5.81 2.35 -0.74 -3.08 115.58 121.88 2k77 h ASN 126 Ca 0.08 -0.25 -0.18 0.00 -0.55 0.00 0.00 56.30 55.40 2k77 h ASN 126 Cb 0.60 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2k77 h ASN 126 CO 0.04 0.99 -0.79 -0.07 -1.65 0.00 0.00 177.43 175.95 2k77 h LEU 127 N 0.87 0.22 0.00 1.61 3.38 -1.08 -3.48 115.31 116.84 2k77 h LEU 127 Ca 0.16 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k77 h LEU 127 Cb 0.52 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2k77 h LEU 127 CO 0.03 0.92 0.00 0.61 0.09 0.00 0.00 178.44 180.09 2k77 n GLY 128 N 0.68 0.26 3.80 0.83 0.00 -0.19 -5.10 105.19 105.47 2k77 n GLY 128 Ca -0.03 0.00 -0.38 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 -1.20 4.55 0.24 1.61 1.01 0.14 -4.94 120.40 121.82 2k77 s VAL 129 Ca 0.00 1.40 0.02 0.00 0.00 0.00 0.00 61.98 63.40 2k77 s VAL 129 Cb 0.00 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 2k77 s VAL 129 CO 0.00 0.43 0.05 -0.44 0.00 0.00 0.00 175.10 175.14 2k77 s SER 130 N -1.30 1.48 0.21 3.32 0.01 -1.26 -2.72 113.70 113.43 2k77 s SER 130 Ca 0.36 -1.31 -0.10 0.00 1.31 0.00 0.00 55.95 56.21 2k77 s SER 130 Cb -0.20 0.09 0.29 0.00 0.21 0.00 0.00 66.02 66.41 2k77 s SER 130 CO 0.22 -0.64 1.71 -0.07 0.41 0.00 0.00 173.24 174.88 2k77 h LEU 131 N 2.43 0.06 -0.50 2.44 4.07 -1.99 -1.58 115.31 120.23 2k77 h LEU 131 Ca -0.38 0.10 -0.14 0.00 0.08 0.00 0.00 57.88 57.54 2k77 h LEU 131 Cb 1.23 0.13 -0.01 0.00 1.08 0.00 0.00 40.66 43.09 2k77 h LEU 131 CO 0.63 0.04 -0.34 0.78 -1.08 0.00 0.00 178.44 178.47 2k77 h ASN 132 N 0.29 0.90 -0.14 -0.43 2.35 -1.98 0.10 115.58 116.68 2k77 h ASN 132 Ca 0.31 -0.39 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 2k77 h ASN 132 Cb 0.45 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2k77 h ASN 132 CO -0.38 1.15 0.05 0.11 -1.65 0.00 0.00 177.43 176.71 2k77 h LYS 133 N 0.72 0.21 -0.19 0.81 1.57 -1.81 -1.20 116.57 116.67 2k77 h LYS 133 Ca 0.07 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2k77 h LYS 133 Cb 0.90 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 2k77 h LYS 133 CO 0.08 0.32 0.03 0.00 -0.57 0.00 0.00 179.45 179.32 2k77 h ALA 134 N 0.88 0.25 -0.12 3.86 0.00 -1.32 -2.83 119.26 119.99 2k77 h ALA 134 Ca 0.04 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2k77 h ALA 134 Cb 0.20 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2k77 h ALA 134 CO -0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 179.25 179.04 2k77 h ARG 135 N 0.11 -0.16 -0.57 0.00 3.08 -0.89 -0.48 114.38 115.47 2k77 h ARG 135 Ca 0.06 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 2k77 h ARG 135 Cb 0.31 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 2k77 h ARG 135 CO 0.00 -0.10 0.03 1.96 -1.07 0.00 0.00 179.97 180.79 2k77 h GLN 136 N -0.16 0.96 -0.25 0.04 7.50 -1.24 0.80 115.11 122.76 2k77 h GLN 136 Ca 0.09 -0.27 -0.10 0.00 0.50 0.00 0.00 58.65 58.87 2k77 h GLN 136 Cb 0.28 -0.11 -0.00 0.00 0.05 0.00 0.00 27.48 27.70 2k77 h GLN 136 CO -0.21 0.93 -0.22 1.96 -1.50 0.00 0.00 178.83 179.78 2k77 h GLN 137 N 0.89 0.59 -0.28 1.46 1.08 -1.34 -2.20 115.11 115.32 2k77 h GLN 137 Ca 0.17 -0.30 -0.03 0.00 -1.45 0.00 0.00 58.65 57.04 2k77 h GLN 137 Cb 0.48 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 2k77 h GLN 137 CO 0.02 0.89 0.05 0.28 -0.95 0.00 0.00 178.83 179.12 2k77 h VAL 138 N 0.30 1.23 0.00 -0.54 2.07 -0.87 -0.09 116.25 118.34 2k77 h VAL 138 Ca 0.04 -0.77 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 2k77 h VAL 138 Cb 0.77 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2k77 h VAL 138 CO 0.06 0.25 -0.37 -0.07 0.02 0.00 0.00 177.57 177.46 2k77 h LEU 139 N 0.27 0.00 0.01 2.57 3.38 -0.91 -1.59 115.31 119.05 2k77 h LEU 139 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2k77 h LEU 139 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2k77 h LEU 139 CO 0.00 0.37 -0.01 1.56 0.09 0.00 0.00 178.44 180.46 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 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 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 0.05 0.74 -0.10 1.25 -0.67 0.00 0.00 178.83 180.10 2k77 h LEU 141 N -0.84 0.00 0.00 1.46 5.85 -0.82 -0.26 115.31 120.71 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 0.10 0.00 0.00 -0.34 0.00 0.00 178.44 178.21 2k77 n LEU 142 N -3.27 0.00 0.00 2.25 -0.00 -0.61 -4.70 117.00 110.67 2k77 n LEU 142 Ca 0.00 0.49 0.00 0.00 -0.00 0.00 0.00 56.01 56.50 2k77 n LEU 142 Cb 0.34 -0.49 0.00 0.00 -0.00 0.00 0.00 43.42 43.27 2k77 n LEU 142 CO 0.30 -0.29 0.00 0.61 -0.00 0.00 0.00 177.39 178.01 2k77 n GLY 143 N -0.24 0.00 0.11 1.47 0.00 -1.10 -5.03 105.19 100.40 2k77 n GLY 143 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.35 -3.52 113.55 110.31 2k77 h SER 144 Ca 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 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 0.04 0.00 -3.20 -1.14 0.00 0.00 176.83 172.53