#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k77 s MET 2 N 0.00 1.39 0.18 2.12 1.00 -1.26 -5.09 119.30 117.63 2k77 s MET 2 Ca 0.00 -1.66 -0.12 0.00 0.00 0.00 0.00 55.69 53.91 2k77 s MET 2 Cb 0.00 -1.02 0.08 0.00 0.00 0.00 0.00 34.83 33.90 2k77 s MET 2 CO 0.00 0.08 1.76 0.74 0.00 0.00 0.00 175.02 177.60 2k77 h PHE 3 N 2.46 0.89 -1.01 -0.03 0.04 -1.97 -3.47 116.94 113.86 2k77 h PHE 3 Ca -0.39 -0.05 -0.25 0.00 2.80 0.00 0.00 57.97 60.09 2k77 h PHE 3 Cb 1.22 -0.27 -0.07 0.00 2.20 0.00 0.00 35.95 39.03 2k77 h PHE 3 CO 0.68 0.68 -0.26 0.41 -0.60 0.00 0.00 178.31 179.22 2k77 n GLY 4 N -0.92 0.79 3.52 -1.45 0.00 -1.26 -5.03 105.19 100.84 2k77 n GLY 4 Ca 0.04 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.61 3.16 0.12 1.61 0.52 -1.26 -5.08 118.95 114.41 2k77 s ARG 5 Ca 0.00 -0.56 0.11 0.00 -0.52 0.00 0.00 55.73 54.76 2k77 s ARG 5 Cb 0.00 -2.71 -0.04 0.00 0.52 0.00 0.00 34.95 32.72 2k77 s ARG 5 CO 0.00 0.46 -0.27 -0.06 0.02 0.00 0.00 175.30 175.45 2k77 s PHE 6 N -0.24 2.32 0.94 -0.53 0.40 -1.26 -0.64 117.98 118.97 2k77 s PHE 6 Ca 0.03 -0.38 -0.12 0.00 -0.60 0.00 0.00 56.93 55.87 2k77 s PHE 6 Cb -0.13 -1.27 0.15 0.00 0.51 0.00 0.00 43.02 42.29 2k77 s PHE 6 CO 0.03 0.33 1.09 0.95 0.70 0.00 0.00 175.22 178.31 2k77 s THR 7 N -1.04 2.43 -0.62 0.64 -4.23 -0.39 -4.79 115.64 107.64 2k77 s THR 7 Ca 0.14 0.14 0.19 0.00 -1.18 0.00 0.00 61.69 60.98 2k77 s THR 7 Cb -0.10 -2.61 0.19 0.00 1.34 0.00 0.00 72.50 71.32 2k77 s THR 7 CO 0.06 -0.18 1.59 -1.84 -0.54 0.00 0.00 174.62 173.70 2k77 n GLU 8 N -4.02 0.12 0.04 3.99 0.00 -1.26 -1.37 120.64 118.15 2k77 n GLU 8 Ca 0.06 0.41 -0.22 0.00 0.00 0.00 0.00 57.16 57.41 2k77 n GLU 8 Cb 0.56 -1.76 -0.14 0.00 0.00 0.00 0.00 31.44 30.10 2k77 n GLU 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2k77 h ARG 9 N 0.00 0.33 -0.22 3.44 3.08 -1.95 -3.35 114.38 115.71 2k77 h ARG 9 Ca 0.00 -0.56 -0.20 0.00 0.07 0.00 0.00 59.98 59.29 2k77 h ARG 9 Cb 0.26 0.21 0.01 0.00 0.08 0.00 0.00 29.97 30.52 2k77 h ARG 9 CO 0.00 1.27 -0.66 0.00 -1.07 0.00 0.00 179.97 179.51 2k77 h ALA 10 N 0.04 0.40 0.00 0.04 0.00 -1.77 -3.00 119.26 114.97 2k77 h ALA 10 Ca -0.33 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.01 2k77 h ALA 10 Cb 1.95 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 2k77 h ALA 10 CO 0.12 0.68 -0.05 1.96 0.00 0.00 0.00 179.25 181.96 2k77 h GLN 11 N 0.61 0.00 -0.37 0.00 4.20 -1.43 -1.94 115.11 116.17 2k77 h GLN 11 Ca -0.02 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.53 2k77 h GLN 11 Cb 1.28 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 2k77 h GLN 11 CO 0.14 0.05 -0.39 0.87 -0.67 0.00 0.00 178.83 178.83 2k77 h LYS 12 N 0.00 0.92 -0.34 1.46 1.57 -1.66 -0.69 116.57 117.84 2k77 h LYS 12 Ca -0.00 -0.50 -0.07 0.00 -1.87 0.00 0.00 60.65 58.21 2k77 h LYS 12 Cb 0.10 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 2k77 h LYS 12 CO 0.01 1.15 -0.08 -0.39 -0.57 0.00 0.00 179.45 179.57 2k77 h VAL 13 N 0.74 1.23 -0.10 0.50 -1.51 -1.31 -0.31 116.25 115.48 2k77 h VAL 13 Ca 0.06 -0.98 -0.19 0.00 -1.23 0.00 0.00 66.70 64.36 2k77 h VAL 13 Cb 0.99 1.06 -0.00 0.00 -2.13 0.00 0.00 31.29 31.20 2k77 h VAL 13 CO 0.10 0.33 -0.71 -0.07 -1.23 0.00 0.00 177.57 175.98 2k77 h LEU 14 N 0.53 0.55 -0.65 4.19 3.38 -1.31 0.33 115.31 122.33 2k77 h LEU 14 Ca 0.10 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 2k77 h LEU 14 Cb 0.46 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2k77 h LEU 14 CO 0.02 1.10 0.02 0.00 0.09 0.00 0.00 178.44 179.67 2k77 h ALA 15 N 0.89 0.87 0.00 1.53 0.00 -0.91 -2.63 119.26 119.01 2k77 h ALA 15 Ca -0.03 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 2k77 h ALA 15 Cb 1.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2k77 h ALA 15 CO 0.13 0.67 -0.33 -0.07 0.00 0.00 0.00 179.25 179.65 2k77 h LEU 16 N 0.98 0.00 -0.78 0.00 3.38 -0.99 -2.37 115.31 115.54 2k77 h LEU 16 Ca 0.18 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 2k77 h LEU 16 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2k77 h LEU 16 CO 0.03 0.33 -0.02 0.00 0.09 0.00 0.00 178.44 178.87 2k77 h ALA 17 N 1.67 0.98 -0.26 1.53 0.00 -0.71 0.58 119.26 123.04 2k77 h ALA 17 Ca -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2k77 h ALA 17 Cb 0.89 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2k77 h ALA 17 CO 0.04 0.62 0.04 0.37 0.00 0.00 0.00 179.25 180.33 2k77 h GLN 18 N 0.84 0.43 -0.16 0.00 4.15 -1.25 -1.33 115.11 117.80 2k77 h GLN 18 Ca 0.15 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 2k77 h GLN 18 Cb 0.52 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 2k77 h GLN 18 CO 0.03 0.56 0.06 1.49 -1.93 0.00 0.00 178.83 179.03 2k77 h GLU 19 N 0.25 0.23 -0.07 1.69 4.81 -1.31 -1.62 114.58 118.55 2k77 h GLU 19 Ca 0.08 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 2k77 h GLU 19 Cb 0.33 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2k77 h GLU 19 CO 0.01 0.33 -0.23 0.93 -0.73 0.00 0.00 179.01 179.32 2k77 h GLU 20 N 0.09 0.12 0.24 1.92 4.39 -0.89 0.16 114.58 120.62 2k77 h GLU 20 Ca 0.05 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2k77 h GLU 20 Cb 0.18 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2k77 h GLU 20 CO -0.00 0.35 -0.11 0.00 -1.16 0.00 0.00 179.01 178.08 2k77 h ALA 21 N 1.66 -0.32 -0.52 3.43 0.00 -1.13 -2.66 119.26 119.72 2k77 h ALA 21 Ca 0.02 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2k77 h ALA 21 Cb 0.47 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2k77 h ALA 21 CO 0.03 -0.62 0.05 -0.07 0.00 0.00 0.00 179.25 178.64 2k77 h LEU 22 N -0.45 0.80 -1.35 0.00 3.38 -0.63 0.37 115.31 117.43 2k77 h LEU 22 Ca -0.03 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 2k77 h LEU 22 Cb 0.34 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2k77 h LEU 22 CO 0.05 0.83 -0.22 0.03 0.09 0.00 0.00 178.44 179.23 2k77 h ARG 23 N 0.79 0.15 -0.11 1.13 2.47 -0.75 -1.67 114.38 116.38 2k77 h ARG 23 Ca 0.16 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 2k77 h ARG 23 Cb 0.41 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 2k77 h ARG 23 CO 0.01 0.37 0.00 1.28 0.56 0.00 0.00 179.97 182.20 2k77 n LEU 24 N -4.22 1.39 -0.58 3.04 4.77 -0.98 -4.96 117.00 115.46 2k77 n LEU 24 Ca -0.01 -0.56 -0.07 0.00 -0.03 0.00 0.00 56.01 55.34 2k77 n LEU 24 Cb 0.32 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2k77 n LEU 24 CO 0.38 0.28 -0.07 0.61 -1.33 0.00 0.00 177.39 177.26 2k77 n GLY 25 N 1.10 0.79 3.82 -0.72 0.00 -0.63 -0.79 105.19 108.75 2k77 n GLY 25 Ca 0.17 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.27 3.57 -0.26 1.61 3.76 0.06 -0.88 115.29 120.87 2k77 s HIS 26 Ca 0.00 0.60 0.13 0.00 -0.15 0.00 0.00 55.06 55.64 2k77 s HIS 26 Cb 0.00 -2.13 0.72 0.00 1.11 0.00 0.00 32.58 32.29 2k77 s HIS 26 CO 0.00 0.55 1.69 0.27 -0.85 0.00 0.00 174.74 176.40 2k77 n ASN 27 N 2.52 4.89 -4.11 1.40 6.94 -1.26 -3.07 115.26 122.57 2k77 n ASN 27 Ca -0.16 -3.10 -0.13 0.00 -0.02 0.00 0.00 54.58 51.17 2k77 n ASN 27 Cb 0.53 -0.68 -0.11 0.00 -2.36 0.00 0.00 39.78 37.17 2k77 n ASN 27 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 2k77 s ASN 28 N -1.21 1.03 -0.36 0.53 0.01 -1.26 -3.48 114.94 110.20 2k77 s ASN 28 Ca 0.52 -0.71 -0.14 0.00 -0.71 0.00 0.00 52.86 51.81 2k77 s ASN 28 Cb 0.41 0.05 -0.01 0.00 0.41 0.00 0.00 41.25 42.11 2k77 s ASN 28 CO 0.13 -0.28 0.32 -0.63 -1.51 0.00 0.00 177.10 175.12 2k77 s ILE 29 N -2.13 5.22 0.67 0.60 1.01 0.06 -4.87 121.20 121.76 2k77 s ILE 29 Ca -0.02 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.48 2k77 s ILE 29 Cb -0.05 -3.82 0.12 0.00 0.01 0.00 0.00 42.46 38.72 2k77 s ILE 29 CO -0.01 -0.12 0.92 -0.83 0.00 0.00 0.00 174.94 174.90 2k77 s GLY 30 N 1.73 1.75 0.26 6.18 0.00 -1.26 -1.42 107.32 114.56 2k77 s GLY 30 Ca 0.09 -1.90 -0.02 0.00 0.00 0.00 0.00 44.72 42.89 2k77 s GLY 30 CO 0.11 -1.36 1.83 -0.91 0.00 0.00 0.00 173.10 172.77 2k77 h THR 31 N -0.28 0.95 -0.62 0.90 1.35 -1.92 -1.84 112.91 111.44 2k77 h THR 31 Ca -0.34 -0.32 0.13 0.00 -0.55 0.00 0.00 66.41 65.33 2k77 h THR 31 Cb 1.27 -0.08 -0.11 0.00 -1.73 0.00 0.00 68.15 67.50 2k77 h THR 31 CO 0.40 0.17 -0.11 1.05 -0.25 0.00 0.00 175.52 176.78 2k77 h GLU 32 N 0.95 0.03 -0.01 4.72 9.09 -1.94 -0.92 114.58 126.49 2k77 h GLU 32 Ca 0.44 -0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.70 2k77 h GLU 32 Cb 0.37 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.45 2k77 h GLU 32 CO -0.24 0.02 -0.69 0.45 0.05 0.00 0.00 179.01 178.60 2k77 h HIS 33 N 0.03 0.10 -0.34 2.06 3.86 -1.70 -0.09 115.15 119.07 2k77 h HIS 33 Ca 0.31 -0.05 -0.12 0.00 -1.16 0.00 0.00 60.37 59.36 2k77 h HIS 33 Cb 0.48 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 2k77 h HIS 33 CO -0.47 0.74 -0.23 0.82 0.86 0.00 0.00 177.93 179.65 2k77 h ILE 34 N 0.05 1.29 -0.56 2.45 2.04 -1.08 1.00 117.51 122.69 2k77 h ILE 34 Ca -0.01 -1.38 -0.06 0.00 1.00 0.00 0.00 64.86 64.41 2k77 h ILE 34 Cb 1.23 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 2k77 h ILE 34 CO 0.10 0.45 0.13 0.25 0.00 0.00 0.00 178.15 179.08 2k77 h LEU 35 N 0.55 0.86 -0.90 1.44 5.85 -1.02 -1.06 115.31 121.02 2k77 h LEU 35 Ca 0.07 -0.24 -0.08 0.00 0.84 0.00 0.00 57.88 58.47 2k77 h LEU 35 Cb 0.80 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 2k77 h LEU 35 CO 0.06 0.88 -0.09 0.25 -0.34 0.00 0.00 178.44 179.20 2k77 h LEU 36 N 0.81 0.69 -0.84 2.25 5.85 -0.96 -2.31 115.31 120.79 2k77 h LEU 36 Ca 0.18 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 2k77 h LEU 36 Cb 0.36 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 2k77 h LEU 36 CO 0.00 0.82 0.33 1.23 -0.34 0.00 0.00 178.44 180.49 2k77 h GLY 37 N 0.97 1.26 0.74 3.75 0.00 -0.60 -0.45 103.07 108.74 2k77 h GLY 37 Ca 0.12 -0.67 0.01 0.00 0.00 0.00 0.00 47.33 46.79 2k77 h GLY 37 CO 0.03 0.63 -0.16 1.41 0.00 0.00 0.00 176.54 178.45 2k77 h LEU 38 N 1.15 -0.44 -0.84 3.11 3.38 -0.83 -1.24 115.31 119.60 2k77 h LEU 38 Ca 0.27 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.22 2k77 h LEU 38 Cb 0.19 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2k77 h LEU 38 CO -0.02 -0.24 -0.32 -0.37 0.09 0.00 0.00 178.44 177.57 2k77 h VAL 39 N -0.33 0.72 -0.09 1.22 -1.51 -1.34 -0.71 116.25 114.22 2k77 h VAL 39 Ca 0.02 -1.45 -0.10 0.00 -1.23 0.00 0.00 66.70 63.93 2k77 h VAL 39 Cb 0.33 1.94 -0.01 0.00 -2.13 0.00 0.00 31.29 31.42 2k77 h VAL 39 CO -0.08 0.32 -0.41 -0.09 -1.23 0.00 0.00 177.57 176.08 2k77 h ARG 40 N 0.00 0.19 0.01 5.19 9.65 -0.95 -3.09 114.38 125.39 2k77 h ARG 40 Ca -0.00 -0.09 -0.00 0.00 -1.10 0.00 0.00 59.98 58.79 2k77 h ARG 40 Cb 0.92 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.49 2k77 h ARG 40 CO 0.04 0.57 -0.01 1.49 2.80 0.00 0.00 179.97 184.87 2k77 h GLU 41 N 0.16 -0.02 0.00 0.20 4.22 -0.94 -3.48 114.58 114.72 2k77 h GLU 41 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.46 2k77 h GLU 41 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2k77 h GLU 41 CO 0.06 0.54 0.00 0.41 -2.18 0.00 0.00 179.01 177.84 2k77 n GLY 42 N 0.45 1.86 0.00 1.92 0.00 -0.30 -4.72 105.19 104.41 2k77 n GLY 42 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.95 2k77 n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k77 n GLU 43 N -1.99 0.51 -0.70 1.61 -0.58 -1.26 -4.47 120.64 113.76 2k77 n GLU 43 Ca 0.00 -0.03 -0.30 0.00 -0.42 0.00 0.00 57.16 56.41 2k77 n GLU 43 Cb 0.00 -1.07 0.18 0.00 -0.57 0.00 0.00 31.44 29.98 2k77 n GLU 43 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2k77 s GLY 44 N -2.48 1.66 0.21 0.62 0.00 -1.26 -4.70 107.32 101.37 2k77 s GLY 44 Ca -0.01 0.41 -0.09 0.00 0.00 0.00 0.00 44.72 45.03 2k77 s GLY 44 CO 0.13 0.89 1.76 -2.22 0.00 0.00 0.00 173.10 173.66 2k77 h ILE 45 N -2.00 0.83 -0.40 0.90 1.08 -1.94 -0.96 117.51 115.02 2k77 h ILE 45 Ca -0.47 -0.17 -0.04 0.00 -0.39 0.00 0.00 64.86 63.79 2k77 h ILE 45 Cb 1.28 0.29 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 2k77 h ILE 45 CO 0.44 0.09 0.08 0.00 -0.69 0.00 0.00 178.15 178.07 2k77 h ALA 46 N 1.40 0.53 -0.67 1.87 0.00 -1.90 0.34 119.26 120.84 2k77 h ALA 46 Ca 0.31 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2k77 h ALA 46 Cb 0.34 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2k77 h ALA 46 CO -0.27 0.23 0.16 0.00 0.00 0.00 0.00 179.25 179.38 2k77 h ALA 47 N 0.93 1.03 0.00 0.00 0.00 -1.67 -0.81 119.26 118.74 2k77 h ALA 47 Ca 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2k77 h ALA 47 Cb 0.35 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2k77 h ALA 47 CO 0.01 0.64 -0.04 0.87 0.00 0.00 0.00 179.25 180.72 2k77 h LYS 48 N 1.00 0.00 -0.33 0.00 1.57 -1.12 -1.32 116.57 116.37 2k77 h LYS 48 Ca 0.21 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.81 2k77 h LYS 48 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 2k77 h LYS 48 CO 0.00 0.04 -0.49 0.00 -0.57 0.00 0.00 179.45 178.44 2k77 h ALA 49 N 1.96 0.51 -0.21 3.86 0.00 -0.37 -0.07 119.26 124.93 2k77 h ALA 49 Ca -0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2k77 h ALA 49 Cb 0.83 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2k77 h ALA 49 CO 0.01 0.68 0.11 -0.07 0.00 0.00 0.00 179.25 179.98 2k77 h LEU 50 N 0.71 0.27 -1.10 0.00 3.38 -0.97 -2.32 115.31 115.28 2k77 h LEU 50 Ca 0.03 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2k77 h LEU 50 Cb 1.09 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 2k77 h LEU 50 CO 0.11 0.29 0.15 1.56 0.09 0.00 0.00 178.44 180.65 2k77 h GLN 51 N 0.23 0.79 -0.21 1.13 4.20 -1.23 -2.21 115.11 117.81 2k77 h GLN 51 Ca 0.07 -0.15 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 2k77 h GLN 51 Cb 0.09 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2k77 h GLN 51 CO -0.01 0.70 -0.12 0.00 -0.67 0.00 0.00 178.83 178.73 2k77 h ALA 52 N 1.40 1.42 0.00 3.87 0.00 -0.87 -1.69 119.26 123.39 2k77 h ALA 52 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2k77 h ALA 52 Cb 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2k77 h ALA 52 CO -0.01 0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.93 2k77 n LEU 53 N -4.25 0.00 0.00 0.00 4.77 -0.89 -4.87 117.00 111.76 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 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 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 0.29 0.69 1.46 -0.72 0.00 -0.64 -5.01 105.19 101.27 2k77 n GLY 54 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.60 0.99 4.77 -0.87 -4.99 117.00 113.29 2k77 n LEU 55 Ca 0.00 -0.63 -0.03 0.00 -0.03 0.00 0.00 56.01 55.32 2k77 n LEU 55 Cb 0.00 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.73 2k77 n LEU 55 CO 0.00 -0.81 0.95 -0.83 -1.33 0.00 0.00 177.39 175.37 2k77 s GLY 56 N -3.89 -0.35 0.21 -0.72 0.00 -1.26 -4.35 107.32 96.96 2k77 s GLY 56 Ca 0.27 1.16 -0.09 0.00 0.00 0.00 0.00 44.72 46.06 2k77 s GLY 56 CO 0.19 0.35 1.83 1.48 0.00 0.00 0.00 173.10 176.96 2k77 h SER 57 N 2.00 0.96 -0.51 1.64 4.64 -1.98 -2.21 113.55 118.09 2k77 h SER 57 Ca -0.18 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 60.98 2k77 h SER 57 Cb 1.19 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 2k77 h SER 57 CO 0.26 0.77 0.05 1.05 -0.87 0.00 0.00 176.83 178.09 2k77 h GLU 58 N 1.07 0.87 -0.24 4.77 9.09 -1.97 -0.42 114.58 127.75 2k77 h GLU 58 Ca 0.27 -0.25 -0.04 0.00 0.05 0.00 0.00 59.36 59.39 2k77 h GLU 58 Cb 0.02 -0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 27.02 2k77 h GLU 58 CO -0.05 0.87 -0.01 0.87 0.05 0.00 0.00 179.01 180.74 2k77 h LYS 59 N 0.74 0.43 -0.34 1.06 1.57 -1.93 -0.90 116.57 117.20 2k77 h LYS 59 Ca 0.15 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 2k77 h LYS 59 Cb 0.44 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2k77 h LYS 59 CO 0.02 0.62 -0.09 0.82 -0.57 0.00 0.00 179.45 180.24 2k77 h ILE 60 N 0.19 1.28 -0.62 1.86 2.04 -1.41 -2.28 117.51 118.57 2k77 h ILE 60 Ca 0.07 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 2k77 h ILE 60 Cb 0.44 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 2k77 h ILE 60 CO 0.01 0.38 0.34 -0.61 0.00 0.00 0.00 178.15 178.28 2k77 h GLN 61 N 0.44 0.87 -0.56 2.37 4.15 -1.04 -0.54 115.11 120.80 2k77 h GLN 61 Ca 0.08 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 2k77 h GLN 61 Cb 0.60 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 2k77 h GLN 61 CO 0.04 0.65 0.21 -0.22 -1.93 0.00 0.00 178.83 177.58 2k77 h LYS 62 N 0.85 0.84 -0.45 1.69 3.11 -1.13 -0.79 116.57 120.69 2k77 h LYS 62 Ca 0.22 -0.16 -0.11 0.00 -2.81 0.00 0.00 60.65 57.79 2k77 h LYS 62 Cb 0.04 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.12 2k77 h LYS 62 CO -0.04 0.74 -0.17 0.93 -2.81 0.00 0.00 179.45 178.10 2k77 h GLU 63 N 0.77 0.87 0.63 1.90 4.39 -1.19 -1.09 114.58 120.86 2k77 h GLU 63 Ca 0.18 -0.33 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 2k77 h GLU 63 Cb 0.22 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2k77 h GLU 63 CO -0.01 0.98 -0.30 0.28 -1.16 0.00 0.00 179.01 178.79 2k77 h VAL 64 N 0.77 0.37 -0.45 3.13 2.07 -0.94 -2.97 116.25 118.23 2k77 h VAL 64 Ca 0.11 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.62 2k77 h VAL 64 Cb 0.70 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2k77 h VAL 64 CO 0.05 0.00 0.30 -0.33 0.02 0.00 0.00 177.57 177.61 2k77 h GLU 65 N -0.87 0.56 0.00 1.57 5.08 -1.11 -0.94 114.58 118.87 2k77 h GLU 65 Ca -0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2k77 h GLU 65 Cb 0.66 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2k77 h GLU 65 CO 0.14 0.37 0.00 0.77 -1.00 0.00 0.00 179.01 179.30 2k77 h SER 66 N 0.58 0.00 0.00 1.42 0.02 -1.15 -1.21 113.55 113.21 2k77 h SER 66 Ca 0.17 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.81 2k77 h SER 66 Cb -0.03 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.45 2k77 h SER 66 CO -0.04 0.00 -2.17 0.18 -1.14 0.00 0.00 176.83 173.67 2k77 n LEU 67 N -2.91 0.25 -0.00 5.07 4.77 -0.45 -4.74 117.00 118.98 2k77 n LEU 67 Ca -0.00 -0.01 0.06 0.00 -0.03 0.00 0.00 56.01 56.03 2k77 n LEU 67 Cb 0.23 0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 41.55 2k77 n LEU 67 CO 0.23 0.45 -0.53 2.30 -1.33 0.00 0.00 177.39 178.51 2k77 n ILE 68 N -2.67 0.00 -4.76 -0.08 -5.35 -0.63 -5.12 119.36 100.75 2k77 n ILE 68 Ca -0.28 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 2k77 n ILE 68 Cb 1.04 0.36 0.00 0.00 -1.74 0.00 0.00 39.64 39.30 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 1.74 -0.35 3.11 3.28 0.00 -0.46 -4.93 105.19 107.58 2k77 n GLY 69 Ca -0.01 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 44.76 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 1.28 -0.02 1.61 3.52 -1.26 -4.91 118.95 119.16 2k77 s ARG 70 Ca 0.00 -0.52 -0.01 0.00 -0.13 0.00 0.00 55.73 55.07 2k77 s ARG 70 Cb 0.00 -1.21 0.00 0.00 -1.56 0.00 0.00 34.95 32.19 2k77 s ARG 70 CO 0.00 0.29 0.01 0.41 -0.81 0.00 0.00 175.30 175.20 2k77 n GLY 71 N 2.84 -3.06 1.32 8.12 0.00 0.03 -5.01 105.19 109.43 2k77 n GLY 71 Ca -0.15 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.70 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 0.11 0.67 -2.25 1.61 6.02 -0.05 -4.97 117.38 118.51 2k77 n GLN 72 Ca -0.02 -2.54 -0.43 0.00 -0.01 0.00 0.00 57.00 54.00 2k77 n GLN 72 Cb 0.03 -0.64 -0.02 0.00 1.02 0.00 0.00 30.24 30.63 2k77 n GLN 72 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2k77 s GLU 73 N -1.29 4.22 0.00 -1.09 2.12 -0.95 -4.51 118.70 117.21 2k77 s GLU 73 Ca 0.35 1.88 0.00 0.00 0.36 0.00 0.00 54.97 57.56 2k77 s GLU 73 Cb 0.38 -3.83 0.00 0.00 0.26 0.00 0.00 34.13 30.94 2k77 s GLU 73 CO -0.13 -0.75 0.00 -1.33 -0.54 0.00 0.00 175.26 172.52 2k77 n MET 74 N 6.70 3.22 -4.13 4.30 2.81 -1.26 -5.07 117.12 123.69 2k77 n MET 74 Ca 0.15 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.89 2k77 n MET 74 Cb 0.44 -0.44 -0.06 0.00 -0.71 0.00 0.00 33.22 32.46 2k77 n MET 74 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2k77 s SER 75 N -0.53 0.86 0.00 7.83 0.15 -1.26 -5.09 113.70 115.66 2k77 s SER 75 Ca 0.00 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.19 2k77 s SER 75 Cb 0.00 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 2k77 s SER 75 CO 0.00 -1.18 0.78 0.00 1.20 0.00 0.00 173.24 174.04 2k77 n GLN 76 N -0.52 1.22 -4.98 5.44 1.13 -1.26 -4.75 117.38 113.65 2k77 n GLN 76 Ca 0.02 -1.06 -0.28 0.00 -1.94 0.00 0.00 57.00 53.74 2k77 n GLN 76 Cb 0.62 -1.00 -0.16 0.00 0.11 0.00 0.00 30.24 29.80 2k77 n GLN 76 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2k77 s THR 77 N -0.56 1.66 0.40 5.09 2.01 -1.26 -5.12 115.64 117.85 2k77 s THR 77 Ca 0.00 -0.83 -0.24 0.00 0.31 0.00 0.00 61.69 60.93 2k77 s THR 77 Cb 0.00 -1.42 -0.09 0.00 0.01 0.00 0.00 72.50 71.00 2k77 s THR 77 CO 0.00 0.47 1.03 -0.63 -0.69 0.00 0.00 174.62 174.80 2k77 s ILE 78 N 0.05 3.85 0.10 1.82 1.09 -1.26 -4.82 121.20 122.03 2k77 s ILE 78 Ca -0.06 1.39 -0.01 0.00 -1.10 0.00 0.00 60.65 60.87 2k77 s ILE 78 Cb -0.13 -3.71 -0.04 0.00 -1.06 0.00 0.00 42.46 37.52 2k77 s ILE 78 CO 0.03 -0.02 0.03 -2.28 -0.10 0.00 0.00 174.94 172.61 2k77 s HIS 79 N -1.72 0.71 -0.05 3.97 5.65 -1.23 -5.02 115.29 117.61 2k77 s HIS 79 Ca 0.58 -1.15 -0.12 0.00 0.25 0.00 0.00 55.06 54.61 2k77 s HIS 79 Cb -0.20 -0.43 -0.05 0.00 -1.18 0.00 0.00 32.58 30.72 2k77 s HIS 79 CO 0.25 -0.47 0.32 0.71 -0.65 0.00 0.00 174.74 174.90 2k77 s TYR 80 N -3.99 3.66 0.85 3.88 1.51 -1.26 -0.76 117.35 121.23 2k77 s TYR 80 Ca 0.17 0.82 -0.10 0.00 -1.01 0.00 0.00 57.07 56.95 2k77 s TYR 80 Cb 0.08 -2.20 0.11 0.00 -0.11 0.00 0.00 41.96 39.83 2k77 s TYR 80 CO -0.03 0.62 1.12 0.95 -1.11 0.00 0.00 175.55 177.10 2k77 s THR 81 N -0.88 2.68 0.43 -0.71 -4.23 -0.50 -4.74 115.64 107.68 2k77 s THR 81 Ca 0.21 0.22 0.15 0.00 -1.18 0.00 0.00 61.69 61.08 2k77 s THR 81 Cb -0.15 -2.48 0.34 0.00 1.34 0.00 0.00 72.50 71.56 2k77 s THR 81 CO 0.10 -0.29 1.94 -0.65 -0.54 0.00 0.00 174.62 175.18 2k77 h PRO 82 N -1.53 0.42 0.05 3.99 0.11 -1.99 0.60 132.00 133.66 2k77 h PRO 82 Ca -0.44 -0.03 -0.25 0.00 0.11 0.00 0.00 66.00 65.40 2k77 h PRO 82 Cb 1.25 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.27 2k77 h PRO 82 CO 0.47 0.28 -1.06 0.00 -0.21 0.00 0.00 178.00 177.48 2k77 h ARG 83 N 0.43 0.40 -0.46 1.05 3.08 -1.95 -1.62 114.38 115.31 2k77 h ARG 83 Ca 0.34 -0.50 -0.14 0.00 0.07 0.00 0.00 59.98 59.75 2k77 h ARG 83 Cb 0.73 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 2k77 h ARG 83 CO -0.10 1.17 -0.26 0.00 -1.07 0.00 0.00 179.97 179.71 2k77 h ALA 84 N 0.65 0.65 -0.88 0.04 0.00 -1.68 -0.28 119.26 117.75 2k77 h ALA 84 Ca -0.11 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.42 2k77 h ALA 84 Cb 1.72 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.31 2k77 h ALA 84 CO 0.18 0.67 0.58 -0.22 0.00 0.00 0.00 179.25 180.46 2k77 h LYS 85 N 0.83 1.11 -0.62 0.00 3.11 -0.92 -0.02 116.57 120.06 2k77 h LYS 85 Ca 0.10 -0.07 -0.10 0.00 -2.81 0.00 0.00 60.65 57.77 2k77 h LYS 85 Cb 0.84 -0.25 -0.02 0.00 -1.00 0.00 0.00 32.23 31.80 2k77 h LYS 85 CO 0.07 0.74 0.01 -0.22 -2.81 0.00 0.00 179.45 177.24 2k77 h LYS 86 N 1.15 1.08 -0.82 1.90 3.64 -1.13 -2.36 116.57 120.03 2k77 h LYS 86 Ca 0.34 -0.34 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2k77 h LYS 86 Cb -0.06 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.61 2k77 h LYS 86 CO -0.10 1.04 0.53 0.28 -2.27 0.00 0.00 179.45 178.94 2k77 h VAL 87 N 0.99 1.18 -0.78 2.00 2.07 -0.55 0.00 116.25 121.16 2k77 h VAL 87 Ca 0.18 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 2k77 h VAL 87 Cb 0.55 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 2k77 h VAL 87 CO 0.03 0.20 0.48 0.40 0.02 0.00 0.00 177.57 178.70 2k77 h ILE 88 N 1.07 1.22 -0.40 4.57 1.08 -0.76 0.14 117.51 124.44 2k77 h ILE 88 Ca 0.31 -0.47 -0.09 0.00 -0.39 0.00 0.00 64.86 64.22 2k77 h ILE 88 Cb -0.08 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 33.78 2k77 h ILE 88 CO -0.08 0.23 -0.10 -0.33 -0.69 0.00 0.00 178.15 177.17 2k77 h GLU 89 N 1.07 0.77 -0.72 2.37 5.08 -1.16 -2.89 114.58 119.11 2k77 h GLU 89 Ca 0.28 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2k77 h GLU 89 Cb -0.05 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2k77 h GLU 89 CO -0.05 0.91 0.26 -0.07 -1.00 0.00 0.00 179.01 179.06 2k77 h LEU 90 N 0.58 0.99 -0.86 1.33 3.38 -0.64 -0.28 115.31 119.81 2k77 h LEU 90 Ca 0.10 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2k77 h LEU 90 Cb 0.63 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2k77 h LEU 90 CO 0.04 0.90 0.51 0.28 0.09 0.00 0.00 178.44 180.25 2k77 h SER 91 N 1.04 1.05 0.34 -0.43 0.02 -0.72 0.09 113.55 114.96 2k77 h SER 91 Ca 0.24 -0.08 -0.18 0.00 -0.84 0.00 0.00 61.79 60.93 2k77 h SER 91 Cb 0.23 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2k77 h SER 91 CO -0.02 0.82 -0.73 -0.03 -1.14 0.00 0.00 176.83 175.74 2k77 h MET 92 N 1.19 0.33 -0.10 3.45 1.85 -1.27 -1.67 114.93 118.70 2k77 h MET 92 Ca 0.31 -0.27 -0.11 0.00 -0.61 0.00 0.00 59.70 59.01 2k77 h MET 92 Cb -0.02 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.05 2k77 h MET 92 CO -0.06 0.92 -0.45 0.22 -0.40 0.00 0.00 176.91 177.15 2k77 h ASP 93 N 0.22 0.25 -0.28 1.39 3.58 -0.68 -1.81 116.42 119.09 2k77 h ASP 93 Ca -0.03 -0.11 -0.18 0.00 0.42 0.00 0.00 57.03 57.13 2k77 h ASP 93 Cb 1.30 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 42.27 2k77 h ASP 93 CO 0.12 0.67 -0.50 -0.33 -2.88 0.00 0.00 179.24 176.31 2k77 h GLU 94 N 0.20 0.86 -0.95 0.28 4.39 -0.94 -3.00 114.58 115.42 2k77 h GLU 94 Ca 0.01 -0.52 0.03 0.00 0.34 0.00 0.00 59.36 59.22 2k77 h GLU 94 Cb 0.87 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.52 2k77 h GLU 94 CO 0.07 1.16 0.63 0.00 -1.16 0.00 0.00 179.01 179.71 2k77 h ALA 95 N 0.74 1.36 -0.99 3.43 0.00 -1.09 -1.72 119.26 121.00 2k77 h ALA 95 Ca 0.03 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2k77 h ALA 95 Cb 1.10 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 2k77 h ALA 95 CO 0.11 0.56 0.65 0.00 0.00 0.00 0.00 179.25 180.57 2k77 h ARG 96 N 1.23 1.22 0.00 0.00 3.08 -1.32 -0.98 114.38 117.61 2k77 h ARG 96 Ca 0.37 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.31 2k77 h ARG 96 Cb -0.04 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 29.73 2k77 h ARG 96 CO -0.10 0.81 -0.16 0.87 -1.07 0.00 0.00 179.97 180.32 2k77 h LYS 97 N 1.25 0.00 -0.00 0.04 1.57 -1.19 -1.64 116.57 116.60 2k77 h LYS 97 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2k77 h LYS 97 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2k77 h LYS 97 CO -0.12 0.16 -0.13 1.28 -0.57 0.00 0.00 179.45 180.06 2k77 n LEU 98 N -3.30 0.33 -0.28 2.94 7.99 -0.81 -4.95 117.00 118.92 2k77 n LEU 98 Ca 0.00 0.13 -0.04 0.00 -0.01 0.00 0.00 56.01 56.10 2k77 n LEU 98 Cb 0.40 -0.27 -0.02 0.00 -0.11 0.00 0.00 43.42 43.42 2k77 n LEU 98 CO 0.32 0.07 -0.03 0.61 -1.51 0.00 0.00 177.39 176.84 2k77 n GLY 99 N 1.36 0.65 3.82 -0.72 0.00 -0.62 -5.04 105.19 104.64 2k77 n GLY 99 Ca 0.12 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.04 3.79 -2.00 1.61 3.76 -0.42 -4.99 115.29 114.99 2k77 s HIS 100 Ca 0.00 1.21 0.07 0.00 -0.15 0.00 0.00 55.06 56.19 2k77 s HIS 100 Cb 0.00 -2.45 0.20 0.00 1.11 0.00 0.00 32.58 31.45 2k77 s HIS 100 CO 0.00 0.60 1.17 -1.13 -0.85 0.00 0.00 174.74 174.53 2k77 n SER 101 N 1.72 1.10 -3.67 1.40 3.41 -1.26 -4.11 113.62 112.21 2k77 n SER 101 Ca -0.11 -1.99 -0.12 0.00 -0.26 0.00 0.00 58.87 56.39 2k77 n SER 101 Cb 0.51 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.73 -0.24 -0.33 7.33 -0.85 -1.26 -4.57 117.35 115.70 2k77 s TYR 102 Ca 0.14 0.16 -0.16 0.00 -0.52 0.00 0.00 57.07 56.69 2k77 s TYR 102 Cb 0.07 0.20 -0.01 0.00 0.38 0.00 0.00 41.96 42.61 2k77 s TYR 102 CO 0.10 -0.58 0.42 0.08 -1.52 0.00 0.00 175.55 174.05 2k77 s VAL 103 N -2.62 5.11 0.80 -3.49 1.01 0.19 -4.86 120.40 116.54 2k77 s VAL 103 Ca -0.04 0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.12 2k77 s VAL 103 Cb -0.01 -3.85 0.14 0.00 0.00 0.00 0.00 36.38 32.67 2k77 s VAL 103 CO -0.03 -0.09 1.10 -0.83 0.00 0.00 0.00 175.10 175.24 2k77 s GLY 104 N 1.72 1.76 0.24 4.51 0.00 -1.26 -1.26 107.32 113.03 2k77 s GLY 104 Ca 0.15 -1.47 -0.05 0.00 0.00 0.00 0.00 44.72 43.34 2k77 s GLY 104 CO 0.12 -0.86 1.86 -0.91 0.00 0.00 0.00 173.10 173.31 2k77 h THR 105 N -0.89 1.06 -0.32 0.90 1.35 -1.92 -1.07 112.91 112.02 2k77 h THR 105 Ca -0.40 -0.35 0.06 0.00 -0.55 0.00 0.00 66.41 65.17 2k77 h THR 105 Cb 1.26 -0.05 -0.08 0.00 -1.73 0.00 0.00 68.15 67.55 2k77 h THR 105 CO 0.42 0.19 -0.44 1.05 -0.25 0.00 0.00 175.52 176.48 2k77 h GLU 106 N 1.02 -0.37 -0.08 4.72 9.09 -1.94 -1.72 114.58 125.30 2k77 h GLU 106 Ca 0.38 0.03 -0.09 0.00 0.05 0.00 0.00 59.36 59.73 2k77 h GLU 106 Cb 0.15 0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 27.32 2k77 h GLU 106 CO -0.17 -0.25 -0.34 0.45 0.05 0.00 0.00 179.01 178.75 2k77 h HIS 107 N -0.39 0.17 -0.16 2.06 3.86 -1.75 -1.46 115.15 117.48 2k77 h HIS 107 Ca 0.11 -0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 2k77 h HIS 107 Cb 0.60 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 2k77 h HIS 107 CO -0.59 0.49 0.06 0.82 0.86 0.00 0.00 177.93 179.56 2k77 h ILE 108 N 0.14 0.97 -0.57 2.45 2.04 -0.83 -0.59 117.51 121.12 2k77 h ILE 108 Ca 0.02 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 2k77 h ILE 108 Cb 0.68 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 2k77 h ILE 108 CO 0.05 0.03 0.26 0.25 0.00 0.00 0.00 178.15 178.74 2k77 h LEU 109 N 0.14 0.76 -1.12 1.44 5.85 -0.89 -1.22 115.31 120.28 2k77 h LEU 109 Ca 0.07 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.73 2k77 h LEU 109 Cb 0.03 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 40.80 2k77 h LEU 109 CO -0.06 0.69 0.60 -0.07 -0.34 0.00 0.00 178.44 179.26 2k77 h LEU 110 N 0.78 0.90 -0.71 2.25 3.38 -1.08 -1.50 115.31 119.33 2k77 h LEU 110 Ca 0.19 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 2k77 h LEU 110 Cb 0.14 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2k77 h LEU 110 CO -0.02 0.55 0.22 1.23 0.09 0.00 0.00 178.44 180.51 2k77 h GLY 111 N 1.01 1.19 0.92 0.83 0.00 -0.57 -2.01 103.07 104.44 2k77 h GLY 111 Ca 0.42 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 2k77 h GLY 111 CO -0.18 0.66 0.13 1.41 0.00 0.00 0.00 176.54 178.56 2k77 h LEU 112 N 1.05 0.46 -0.74 3.11 3.38 -0.27 -2.64 115.31 119.66 2k77 h LEU 112 Ca 0.23 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 2k77 h LEU 112 Cb 0.31 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2k77 h LEU 112 CO -0.01 0.51 -0.32 0.16 0.09 0.00 0.00 178.44 178.87 2k77 h ILE 113 N 0.39 1.28 0.00 1.22 3.07 -1.35 -3.11 117.51 119.01 2k77 h ILE 113 Ca 0.11 -1.44 0.00 0.00 1.55 0.00 0.00 64.86 65.08 2k77 h ILE 113 Cb 0.19 1.41 0.00 0.00 -0.27 0.00 0.00 36.82 38.16 2k77 h ILE 113 CO -0.01 0.46 0.00 0.03 -1.05 0.00 0.00 178.15 177.58 2k77 h ARG 114 N 0.51 0.00 0.00 0.16 2.47 -1.22 -2.73 114.38 113.57 2k77 h ARG 114 Ca 0.06 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.65 2k77 h ARG 114 Cb 0.80 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.10 2k77 h ARG 114 CO 0.07 0.00 -0.63 1.49 0.56 0.00 0.00 179.97 181.46 2k77 h GLU 115 N 0.00 0.00 0.00 0.04 4.57 -1.39 -3.48 114.58 114.32 2k77 h GLU 115 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2k77 h GLU 115 Cb 0.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2k77 h GLU 115 CO 0.00 0.63 0.00 0.41 -1.18 0.00 0.00 179.01 178.87 2k77 n GLY 116 N 0.84 0.49 0.03 1.92 0.00 -1.03 -4.34 105.19 103.09 2k77 n GLY 116 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.78 -0.97 1.61 1.02 -1.26 -4.59 120.64 117.22 2k77 n GLU 117 Ca 0.00 -0.11 -0.32 0.00 -0.02 0.00 0.00 57.16 56.71 2k77 n GLU 117 Cb 0.00 -1.39 0.14 0.00 -0.02 0.00 0.00 31.44 30.16 2k77 n GLU 117 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k77 s GLY 118 N -4.18 1.86 0.38 0.62 0.00 -1.26 -4.74 107.32 99.99 2k77 s GLY 118 Ca -0.06 0.62 0.10 0.00 0.00 0.00 0.00 44.72 45.37 2k77 s GLY 118 CO 0.67 1.02 1.91 -2.08 0.00 0.00 0.00 173.10 174.62 2k77 h VAL 119 N -1.35 0.88 -0.25 1.40 2.07 -1.95 -1.77 116.25 115.28 2k77 h VAL 119 Ca -0.44 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 66.88 2k77 h VAL 119 Cb 1.27 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2k77 h VAL 119 CO 0.45 0.12 0.10 0.00 0.02 0.00 0.00 177.57 178.25 2k77 h ALA 120 N 1.61 0.28 -0.31 1.67 0.00 -1.91 0.11 119.26 120.71 2k77 h ALA 120 Ca 0.39 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.25 2k77 h ALA 120 Cb 0.61 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2k77 h ALA 120 CO -0.15 -0.31 -0.10 0.00 0.00 0.00 0.00 179.25 178.69 2k77 h ALA 121 N 1.15 1.26 -0.35 0.00 0.00 -1.56 -2.58 119.26 117.18 2k77 h ALA 121 Ca 0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2k77 h ALA 121 Cb 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2k77 h ALA 121 CO -0.10 0.49 0.09 -0.09 0.00 0.00 0.00 179.25 179.64 2k77 h ARG 122 N 0.49 0.56 -0.20 0.00 2.43 -0.67 -1.54 114.38 115.46 2k77 h ARG 122 Ca 0.09 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2k77 h ARG 122 Cb 0.46 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 2k77 h ARG 122 CO 0.03 0.61 0.09 0.28 -1.51 0.00 0.00 179.97 179.46 2k77 h VAL 123 N 0.42 0.98 -0.61 0.20 2.07 -0.74 -0.49 116.25 118.08 2k77 h VAL 123 Ca 0.11 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2k77 h VAL 123 Cb 0.30 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2k77 h VAL 123 CO 0.00 0.04 0.34 -0.07 0.02 0.00 0.00 177.57 177.90 2k77 h LEU 124 N 0.19 0.76 -0.96 2.57 3.38 -1.36 -1.53 115.31 118.36 2k77 h LEU 124 Ca 0.08 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2k77 h LEU 124 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2k77 h LEU 124 CO -0.06 0.62 -0.33 0.78 0.09 0.00 0.00 178.44 179.54 2k77 h ASN 125 N 0.83 0.36 -0.64 -0.43 2.35 -1.09 0.68 115.58 117.63 2k77 h ASN 125 Ca 0.22 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 2k77 h ASN 125 Cb 0.03 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 2k77 h ASN 125 CO -0.04 0.67 0.08 0.78 -1.65 0.00 0.00 177.43 177.28 2k77 h ASN 126 N 0.30 1.04 0.64 5.81 4.21 -0.74 -3.16 115.58 123.68 2k77 h ASN 126 Ca 0.04 -0.27 -0.18 0.00 1.21 0.00 0.00 56.30 57.10 2k77 h ASN 126 Cb 0.74 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.64 2k77 h ASN 126 CO 0.06 1.05 -0.80 -0.07 -1.29 0.00 0.00 177.43 176.37 2k77 h LEU 127 N 0.99 0.15 0.00 1.61 3.38 -1.05 -3.48 115.31 116.90 2k77 h LEU 127 Ca 0.19 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2k77 h LEU 127 Cb 0.46 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2k77 h LEU 127 CO 0.02 0.89 0.00 0.61 0.09 0.00 0.00 178.44 180.04 2k77 n GLY 128 N 0.73 0.46 3.79 0.83 0.00 -0.09 -5.10 105.19 105.80 2k77 n GLY 128 Ca -0.02 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 -1.38 4.42 0.45 1.61 1.01 0.04 -4.94 120.40 121.60 2k77 s VAL 129 Ca 0.00 1.59 0.06 0.00 0.00 0.00 0.00 61.98 63.63 2k77 s VAL 129 Cb 0.00 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2k77 s VAL 129 CO 0.00 0.42 0.18 -0.94 0.00 0.00 0.00 175.10 174.76 2k77 s SER 130 N -1.31 4.38 0.26 3.32 1.04 -1.26 -3.07 113.70 117.06 2k77 s SER 130 Ca 0.38 -1.20 -0.01 0.00 0.48 0.00 0.00 55.95 55.60 2k77 s SER 130 Cb -0.21 -0.19 0.56 0.00 0.10 0.00 0.00 66.02 66.28 2k77 s SER 130 CO 0.24 -0.67 1.71 0.25 0.98 0.00 0.00 173.24 175.75 2k77 h LEU 131 N 1.33 0.26 -0.04 2.42 6.46 -1.98 -1.65 115.31 122.10 2k77 h LEU 131 Ca -0.42 0.13 -0.18 0.00 -0.12 0.00 0.00 57.88 57.29 2k77 h LEU 131 Cb 1.27 0.12 0.01 0.00 -0.73 0.00 0.00 40.66 41.33 2k77 h LEU 131 CO 0.69 0.05 -0.69 0.78 -0.62 0.00 0.00 178.44 178.65 2k77 h ASN 132 N 0.41 0.67 -0.31 1.25 2.35 -1.98 -1.57 115.58 116.39 2k77 h ASN 132 Ca 0.47 -0.72 -0.02 0.00 -0.55 0.00 0.00 56.30 55.49 2k77 h ASN 132 Cb 0.80 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 2k77 h ASN 132 CO -0.47 1.29 0.13 0.11 -1.65 0.00 0.00 177.43 176.84 2k77 h LYS 133 N 0.11 0.47 -0.39 0.81 1.79 -1.90 -0.47 116.57 116.99 2k77 h LYS 133 Ca -0.08 -0.08 -0.08 0.00 -2.18 0.00 0.00 60.65 58.23 2k77 h LYS 133 Cb 1.37 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 2k77 h LYS 133 CO 0.14 0.47 -0.06 0.00 -1.08 0.00 0.00 179.45 178.93 2k77 h ALA 134 N 0.97 0.53 -0.10 3.86 0.00 -1.40 -2.49 119.26 120.63 2k77 h ALA 134 Ca 0.10 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.76 2k77 h ALA 134 Cb 0.18 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2k77 h ALA 134 CO -0.01 0.36 -0.15 0.00 0.00 0.00 0.00 179.25 179.45 2k77 h ARG 135 N 0.54 -0.19 -0.75 0.00 3.08 -1.16 -1.17 114.38 114.73 2k77 h ARG 135 Ca 0.10 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 2k77 h ARG 135 Cb 0.56 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 2k77 h ARG 135 CO 0.03 -0.13 0.34 1.96 -1.07 0.00 0.00 179.97 181.11 2k77 h GLN 136 N -0.20 1.09 -0.09 0.04 7.50 -1.01 0.45 115.11 122.88 2k77 h GLN 136 Ca 0.08 -0.17 -0.18 0.00 0.50 0.00 0.00 58.65 58.88 2k77 h GLN 136 Cb 0.32 -0.19 -0.00 0.00 0.05 0.00 0.00 27.48 27.66 2k77 h GLN 136 CO -0.22 0.86 -0.71 1.96 -1.50 0.00 0.00 178.83 179.22 2k77 h GLN 137 N 1.06 0.45 -0.19 1.46 1.08 -1.35 -1.70 115.11 115.91 2k77 h GLN 137 Ca 0.25 -0.36 -0.06 0.00 -1.45 0.00 0.00 58.65 57.04 2k77 h GLN 137 Cb 0.14 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 2k77 h GLN 137 CO -0.03 0.99 -0.13 0.28 -0.95 0.00 0.00 178.83 178.99 2k77 h VAL 138 N 0.31 1.32 0.00 -0.54 2.07 -0.93 -0.72 116.25 117.76 2k77 h VAL 138 Ca -0.03 -1.23 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 2k77 h VAL 138 Cb 1.29 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 2k77 h VAL 138 CO 0.13 0.37 -0.23 -0.07 0.02 0.00 0.00 177.57 177.78 2k77 h LEU 139 N 0.10 0.00 0.06 2.57 3.38 -0.96 -1.79 115.31 118.67 2k77 h LEU 139 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2k77 h LEU 139 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2k77 h LEU 139 CO 0.03 0.23 -0.03 -0.61 0.09 0.00 0.00 178.44 178.16 2k77 h GLN 140 N 0.00 -0.08 0.00 1.13 4.15 -1.27 -3.39 115.11 115.65 2k77 h GLN 140 Ca -0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2k77 h GLN 140 Cb 0.55 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.26 2k77 h GLN 140 CO 0.03 0.51 0.00 1.25 -1.93 0.00 0.00 178.83 178.69 2k77 h LEU 141 N -0.78 0.00 0.00 -2.39 5.85 -0.87 -1.71 115.31 115.41 2k77 h LEU 141 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2k77 h LEU 141 Cb 0.62 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2k77 h LEU 141 CO 0.01 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.11 2k77 n LEU 142 N -2.43 0.00 0.00 2.25 -0.00 -0.69 -4.66 117.00 111.46 2k77 n LEU 142 Ca 0.05 0.19 0.00 0.00 -0.00 0.00 0.00 56.01 56.25 2k77 n LEU 142 Cb 0.44 -0.19 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 2k77 n LEU 142 CO 0.31 -0.11 0.00 0.61 -0.00 0.00 0.00 177.39 178.19 2k77 n GLY 143 N -0.23 0.42 0.15 1.47 0.00 -1.25 -5.03 105.19 100.72 2k77 n GLY 143 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.68 -3.52 113.55 109.98 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