#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k77 s MET 2 N 0.00 0.17 -0.10 2.12 1.75 -1.26 -5.11 119.30 116.87 2k77 s MET 2 Ca 0.00 0.45 -0.20 0.00 -1.25 0.00 0.00 55.69 54.69 2k77 s MET 2 Cb 0.00 -0.11 -0.17 0.00 2.84 0.00 0.00 34.83 37.39 2k77 s MET 2 CO 0.00 -0.15 0.63 0.74 -0.65 0.00 0.00 175.02 175.60 2k77 h PHE 3 N 7.04 -0.05 -0.44 4.11 0.04 -1.93 -3.48 116.94 122.23 2k77 h PHE 3 Ca -0.40 -0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.18 2k77 h PHE 3 Cb 1.16 0.02 -0.08 0.00 2.20 0.00 0.00 35.95 39.25 2k77 h PHE 3 CO 0.39 0.55 -0.17 0.41 -0.60 0.00 0.00 178.31 178.89 2k77 n GLY 4 N 1.34 1.04 3.52 -1.45 0.00 -1.26 -5.03 105.19 103.35 2k77 n GLY 4 Ca -0.07 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.57 2.80 0.02 1.61 0.52 -1.26 -5.08 118.95 114.99 2k77 s ARG 5 Ca 0.00 -0.61 0.05 0.00 -0.52 0.00 0.00 55.73 54.65 2k77 s ARG 5 Cb 0.00 -2.54 -0.02 0.00 0.52 0.00 0.00 34.95 32.91 2k77 s ARG 5 CO 0.00 0.57 -0.14 -0.06 0.02 0.00 0.00 175.30 175.69 2k77 s PHE 6 N -0.57 1.27 0.98 -0.53 0.40 -1.26 -0.70 117.98 117.57 2k77 s PHE 6 Ca 0.08 -0.31 -0.11 0.00 -0.60 0.00 0.00 56.93 55.99 2k77 s PHE 6 Cb -0.12 -0.78 0.18 0.00 0.51 0.00 0.00 43.02 42.82 2k77 s PHE 6 CO 0.02 0.02 1.11 0.95 0.70 0.00 0.00 175.22 178.01 2k77 s THR 7 N -0.67 2.14 0.42 0.64 -4.23 -0.34 -4.67 115.64 108.93 2k77 s THR 7 Ca 0.03 0.04 0.09 0.00 -1.18 0.00 0.00 61.69 60.68 2k77 s THR 7 Cb -0.07 -2.11 0.28 0.00 1.34 0.00 0.00 72.50 71.94 2k77 s THR 7 CO 0.01 -0.06 2.04 -0.33 -0.54 0.00 0.00 174.62 175.73 2k77 h GLU 8 N -2.06 0.50 -0.30 3.99 4.39 -1.99 0.34 114.58 119.45 2k77 h GLU 8 Ca -0.49 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.07 2k77 h GLU 8 Cb 1.29 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 2k77 h GLU 8 CO 0.45 0.33 -0.26 0.00 -1.16 0.00 0.00 179.01 178.37 2k77 h ARG 9 N 0.51 0.71 -0.56 2.33 2.47 -1.96 -2.55 114.38 115.33 2k77 h ARG 9 Ca 0.19 -0.36 -0.08 0.00 -1.26 0.00 0.00 59.98 58.47 2k77 h ARG 9 Cb 0.12 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 2k77 h ARG 9 CO -0.05 0.97 0.03 0.00 0.56 0.00 0.00 179.97 181.49 2k77 h ALA 10 N 0.72 0.76 -0.93 0.04 0.00 -1.65 -1.87 119.26 116.33 2k77 h ALA 10 Ca 0.05 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.74 2k77 h ALA 10 Cb 0.82 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 2k77 h ALA 10 CO 0.07 0.56 0.59 1.96 0.00 0.00 0.00 179.25 182.42 2k77 h GLN 11 N 0.86 1.06 -0.68 0.00 4.20 -1.00 -1.82 115.11 117.73 2k77 h GLN 11 Ca 0.16 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 2k77 h GLN 11 Cb 0.50 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 2k77 h GLN 11 CO 0.02 0.70 0.17 0.87 -0.67 0.00 0.00 178.83 179.92 2k77 h LYS 12 N 1.09 1.08 -0.62 1.46 1.79 -1.00 -0.72 116.57 119.65 2k77 h LYS 12 Ca 0.40 -0.26 -0.06 0.00 -2.18 0.00 0.00 60.65 58.55 2k77 h LYS 12 Cb 0.14 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 2k77 h LYS 12 CO -0.16 0.96 0.13 -0.39 -1.08 0.00 0.00 179.45 178.91 2k77 h VAL 13 N 1.01 1.25 -0.02 0.50 -1.51 -0.83 -0.60 116.25 116.05 2k77 h VAL 13 Ca 0.21 -0.92 -0.17 0.00 -1.23 0.00 0.00 66.70 64.60 2k77 h VAL 13 Cb 0.36 0.63 -0.01 0.00 -2.13 0.00 0.00 31.29 30.13 2k77 h VAL 13 CO 0.00 0.35 -0.74 -0.07 -1.23 0.00 0.00 177.57 175.87 2k77 h LEU 14 N 0.93 0.17 -0.44 4.19 3.38 -1.19 0.18 115.31 122.54 2k77 h LEU 14 Ca 0.20 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 2k77 h LEU 14 Cb 0.35 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2k77 h LEU 14 CO 0.00 0.85 -0.15 0.00 0.09 0.00 0.00 178.44 179.24 2k77 h ALA 15 N 1.14 0.60 0.00 1.53 0.00 -0.98 -3.13 119.26 118.43 2k77 h ALA 15 Ca -0.02 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 2k77 h ALA 15 Cb 1.31 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2k77 h ALA 15 CO 0.11 0.53 -0.40 -0.07 0.00 0.00 0.00 179.25 179.42 2k77 h LEU 16 N 0.70 0.00 -1.35 0.00 3.38 -0.98 -2.86 115.31 114.19 2k77 h LEU 16 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 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 0.40 0.09 0.00 0.09 0.00 0.00 178.44 179.07 2k77 h ALA 17 N 1.60 1.49 -0.18 1.53 0.00 -0.91 0.46 119.26 123.25 2k77 h ALA 17 Ca -0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2k77 h ALA 17 Cb 0.85 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2k77 h ALA 17 CO 0.05 0.38 -0.18 0.37 0.00 0.00 0.00 179.25 179.87 2k77 h GLN 18 N 0.52 0.45 -0.91 0.00 4.15 -1.47 -0.79 115.11 117.05 2k77 h GLN 18 Ca 0.12 -0.24 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 2k77 h GLN 18 Cb 0.20 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.85 2k77 h GLN 18 CO -0.00 0.81 0.51 1.49 -1.93 0.00 0.00 178.83 179.70 2k77 h GLU 19 N 0.11 1.27 -0.35 1.69 4.81 -1.33 -1.32 114.58 119.46 2k77 h GLU 19 Ca 0.03 -0.15 -0.16 0.00 -0.13 0.00 0.00 59.36 58.95 2k77 h GLU 19 Cb 0.72 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2k77 h GLU 19 CO 0.05 0.92 -0.41 0.93 -0.73 0.00 0.00 179.01 179.76 2k77 h GLU 20 N 1.28 0.87 -0.34 1.92 4.39 -0.93 -0.31 114.58 121.46 2k77 h GLU 20 Ca 0.32 -0.47 0.01 0.00 0.34 0.00 0.00 59.36 59.56 2k77 h GLU 20 Cb 0.02 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2k77 h GLU 20 CO -0.05 1.11 0.22 0.00 -1.16 0.00 0.00 179.01 179.13 2k77 h ALA 21 N 0.82 0.43 -0.23 3.43 0.00 -0.90 -0.93 119.26 121.87 2k77 h ALA 21 Ca 0.05 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2k77 h ALA 21 Cb 1.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2k77 h ALA 21 CO 0.10 -0.11 -0.23 -0.07 0.00 0.00 0.00 179.25 178.93 2k77 h LEU 22 N 0.45 0.43 -0.75 0.00 3.38 -1.17 0.37 115.31 118.02 2k77 h LEU 22 Ca 0.13 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2k77 h LEU 22 Cb -0.04 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2k77 h LEU 22 CO -0.03 0.67 0.28 -0.09 0.09 0.00 0.00 178.44 179.35 2k77 h ARG 23 N 0.38 1.13 0.00 1.13 2.43 -0.82 -2.46 114.38 116.17 2k77 h ARG 23 Ca 0.06 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2k77 h ARG 23 Cb 0.62 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2k77 h ARG 23 CO 0.04 0.93 0.00 1.25 -1.51 0.00 0.00 179.97 180.69 2k77 h LEU 24 N 1.09 0.00 0.80 3.80 7.12 -0.73 -3.47 115.31 123.92 2k77 h LEU 24 Ca 0.25 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 58.14 2k77 h LEU 24 Cb 0.24 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.37 2k77 h LEU 24 CO -0.02 0.00 -0.15 0.61 -0.13 0.00 0.00 178.44 178.75 2k77 n GLY 25 N -0.23 0.14 3.79 3.75 0.00 -0.84 -4.47 105.19 107.33 2k77 n GLY 25 Ca 0.01 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.32 3.34 -2.63 1.61 3.76 0.06 -0.93 115.29 118.19 2k77 s HIS 26 Ca 0.00 0.28 0.23 0.00 -0.15 0.00 0.00 55.06 55.42 2k77 s HIS 26 Cb -0.00 -1.80 0.30 0.00 1.11 0.00 0.00 32.58 32.19 2k77 s HIS 26 CO 0.01 0.58 1.31 0.27 -0.85 0.00 0.00 174.74 176.05 2k77 n ASN 27 N 1.55 3.19 -4.10 1.40 0.23 -1.10 -3.60 115.26 112.83 2k77 n ASN 27 Ca -0.16 -1.97 -0.14 0.00 -0.53 0.00 0.00 54.58 51.79 2k77 n ASN 27 Cb 0.53 -0.13 -0.11 0.00 -2.08 0.00 0.00 39.78 37.99 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 -1.68 1.06 -0.17 0.53 0.01 -1.26 -3.59 114.94 109.83 2k77 s ASN 28 Ca 0.32 -0.61 -0.23 0.00 -0.71 0.00 0.00 52.86 51.63 2k77 s ASN 28 Cb 0.21 0.02 -0.02 0.00 0.41 0.00 0.00 41.25 41.87 2k77 s ASN 28 CO 0.30 -0.21 0.75 -0.63 -1.51 0.00 0.00 177.10 175.80 2k77 s ILE 29 N -1.60 4.94 0.55 0.60 1.01 0.13 -4.93 121.20 121.91 2k77 s ILE 29 Ca -0.06 1.45 0.09 0.00 0.00 0.00 0.00 60.65 62.13 2k77 s ILE 29 Cb -0.08 -4.06 0.07 0.00 0.01 0.00 0.00 42.46 38.39 2k77 s ILE 29 CO 0.00 0.07 0.67 -0.83 0.00 0.00 0.00 174.94 174.86 2k77 s GLY 30 N 1.15 1.90 0.26 6.18 0.00 -1.26 -1.43 107.32 114.13 2k77 s GLY 30 Ca 0.35 -1.90 -0.02 0.00 0.00 0.00 0.00 44.72 43.15 2k77 s GLY 30 CO 0.12 -1.73 1.84 -0.91 0.00 0.00 0.00 173.10 172.42 2k77 h THR 31 N 0.37 0.98 -0.64 0.90 1.35 -1.93 -1.79 112.91 112.15 2k77 h THR 31 Ca -0.33 -0.34 0.13 0.00 -0.55 0.00 0.00 66.41 65.33 2k77 h THR 31 Cb 1.29 -0.11 -0.10 0.00 -1.73 0.00 0.00 68.15 67.50 2k77 h THR 31 CO 0.45 0.18 0.06 1.05 -0.25 0.00 0.00 175.52 177.02 2k77 h GLU 32 N 1.00 0.17 -0.02 4.72 9.09 -1.93 -1.05 114.58 126.56 2k77 h GLU 32 Ca 0.44 -0.01 -0.18 0.00 0.05 0.00 0.00 59.36 59.67 2k77 h GLU 32 Cb 0.34 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.39 2k77 h GLU 32 CO -0.23 0.11 -0.78 0.45 0.05 0.00 0.00 179.01 178.62 2k77 h HIS 33 N 0.18 0.24 -0.48 2.06 3.86 -1.69 -0.45 115.15 118.87 2k77 h HIS 33 Ca 0.34 -0.12 -0.11 0.00 -1.16 0.00 0.00 60.37 59.33 2k77 h HIS 33 Cb 0.56 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 2k77 h HIS 33 CO -0.32 0.88 -0.12 0.82 0.86 0.00 0.00 177.93 180.05 2k77 h ILE 34 N 0.11 1.27 -0.68 2.45 2.04 -1.20 0.34 117.51 121.83 2k77 h ILE 34 Ca -0.03 -1.25 -0.06 0.00 1.00 0.00 0.00 64.86 64.52 2k77 h ILE 34 Cb 1.37 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 2k77 h ILE 34 CO 0.12 0.43 0.17 0.25 0.00 0.00 0.00 178.15 179.12 2k77 h LEU 35 N 0.77 1.02 -0.49 1.44 5.85 -1.04 -0.97 115.31 121.89 2k77 h LEU 35 Ca 0.12 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.62 2k77 h LEU 35 Cb 0.67 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2k77 h LEU 35 CO 0.05 0.99 0.32 -0.07 -0.34 0.00 0.00 178.44 179.38 2k77 h LEU 36 N 1.01 0.54 -0.84 2.25 4.07 -0.96 -2.26 115.31 119.11 2k77 h LEU 36 Ca 0.21 -0.01 0.06 0.00 0.08 0.00 0.00 57.88 58.23 2k77 h LEU 36 Cb 0.35 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 41.91 2k77 h LEU 36 CO 0.00 0.39 0.52 1.23 -1.08 0.00 0.00 178.44 179.50 2k77 h GLY 37 N 0.64 1.27 0.75 0.83 0.00 -0.63 -0.53 103.07 105.40 2k77 h GLY 37 Ca 0.18 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2k77 h GLY 37 CO -0.05 0.25 -0.35 1.41 0.00 0.00 0.00 176.54 177.80 2k77 h LEU 38 N 0.95 -0.92 -1.19 3.11 3.38 -0.84 -1.22 115.31 118.58 2k77 h LEU 38 Ca 0.37 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.35 2k77 h LEU 38 Cb 0.18 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2k77 h LEU 38 CO -0.18 -0.53 -0.25 -0.37 0.09 0.00 0.00 178.44 177.20 2k77 h VAL 39 N -0.81 0.66 0.00 1.22 -1.51 -1.23 -0.62 116.25 113.95 2k77 h VAL 39 Ca -0.05 -1.14 -0.07 0.00 -1.23 0.00 0.00 66.70 64.21 2k77 h VAL 39 Cb 0.69 1.74 -0.01 0.00 -2.13 0.00 0.00 31.29 31.59 2k77 h VAL 39 CO 0.01 0.25 -0.34 0.03 -1.23 0.00 0.00 177.57 176.29 2k77 h ARG 40 N 0.00 0.00 -0.00 5.19 2.47 -1.03 -3.12 114.38 117.88 2k77 h ARG 40 Ca -0.00 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 2k77 h ARG 40 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.05 2k77 h ARG 40 CO 0.03 0.34 -0.18 1.49 0.56 0.00 0.00 179.97 182.21 2k77 h GLU 41 N 0.00 0.13 0.00 0.04 4.22 -0.78 -3.48 114.58 114.71 2k77 h GLU 41 Ca -0.00 -0.13 0.00 0.00 0.08 0.00 0.00 59.36 59.30 2k77 h GLU 41 Cb 1.05 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2k77 h GLU 41 CO 0.04 0.87 0.00 0.41 -2.18 0.00 0.00 179.01 178.16 2k77 n GLY 42 N 1.01 1.22 0.00 1.92 0.00 -0.28 -4.70 105.19 104.36 2k77 n GLY 42 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2k77 n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k77 n GLU 43 N -2.00 1.92 -0.87 1.61 2.13 -1.26 -4.43 120.64 117.74 2k77 n GLU 43 Ca 0.00 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 2k77 n GLU 43 Cb 0.00 -0.89 0.15 0.00 0.27 0.00 0.00 31.44 30.97 2k77 n GLU 43 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2k77 s GLY 44 N -1.90 1.67 0.24 8.31 0.00 -1.26 -4.66 107.32 109.72 2k77 s GLY 44 Ca 0.00 0.42 -0.04 0.00 0.00 0.00 0.00 44.72 45.09 2k77 s GLY 44 CO 0.00 0.84 1.80 -2.22 0.00 0.00 0.00 173.10 173.51 2k77 h ILE 45 N -1.70 0.87 -0.31 0.90 1.08 -1.95 -0.32 117.51 116.08 2k77 h ILE 45 Ca -0.45 -0.25 -0.05 0.00 -0.39 0.00 0.00 64.86 63.73 2k77 h ILE 45 Cb 1.26 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 35.07 2k77 h ILE 45 CO 0.46 0.13 0.02 0.00 -0.69 0.00 0.00 178.15 178.06 2k77 h ALA 46 N 1.47 0.42 -0.37 1.87 0.00 -1.90 0.56 119.26 121.30 2k77 h ALA 46 Ca 0.40 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2k77 h ALA 46 Cb 0.41 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2k77 h ALA 46 CO -0.27 0.15 -0.10 0.00 0.00 0.00 0.00 179.25 179.03 2k77 h ALA 47 N 0.85 1.13 -0.74 0.00 0.00 -1.69 -0.47 119.26 118.35 2k77 h ALA 47 Ca 0.09 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2k77 h ALA 47 Cb 0.41 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2k77 h ALA 47 CO 0.01 0.55 0.22 -0.22 0.00 0.00 0.00 179.25 179.81 2k77 h LYS 48 N 0.59 1.15 -0.44 0.00 3.64 -0.94 -1.82 116.57 118.75 2k77 h LYS 48 Ca 0.11 -0.25 -0.10 0.00 -1.27 0.00 0.00 60.65 59.14 2k77 h LYS 48 Cb 0.52 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2k77 h LYS 48 CO 0.03 0.98 -0.11 0.00 -2.27 0.00 0.00 179.45 178.09 2k77 h ALA 49 N 1.13 0.60 -0.24 5.00 0.00 -0.44 0.01 119.26 125.32 2k77 h ALA 49 Ca 0.24 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2k77 h ALA 49 Cb 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2k77 h ALA 49 CO -0.01 0.49 0.14 -0.07 0.00 0.00 0.00 179.25 179.81 2k77 h LEU 50 N 0.68 0.23 -0.97 0.00 3.38 -1.00 -1.72 115.31 115.92 2k77 h LEU 50 Ca 0.11 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 2k77 h LEU 50 Cb 0.64 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2k77 h LEU 50 CO 0.04 0.17 -0.16 1.56 0.09 0.00 0.00 178.44 180.15 2k77 h GLN 51 N 0.29 0.57 -0.23 1.13 4.20 -1.27 -2.44 115.11 117.36 2k77 h GLN 51 Ca 0.09 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 2k77 h GLN 51 Cb -0.01 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2k77 h GLN 51 CO -0.04 0.71 -0.07 0.00 -0.67 0.00 0.00 178.83 178.75 2k77 h ALA 52 N 1.32 1.44 0.00 3.87 0.00 -0.73 -1.73 119.26 123.44 2k77 h ALA 52 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k77 h ALA 52 Cb 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2k77 h ALA 52 CO 0.04 0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.96 2k77 n LEU 53 N -4.28 0.00 0.00 0.00 4.77 -0.67 -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 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2k77 n LEU 53 CO 0.38 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2k77 n GLY 54 N 0.36 0.72 2.22 -0.72 0.00 -0.65 -5.01 105.19 102.11 2k77 n GLY 54 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.94 -5.00 117.00 113.21 2k77 n LEU 55 Ca 0.00 -0.91 -0.06 0.00 -0.03 0.00 0.00 56.01 55.01 2k77 n LEU 55 Cb 0.00 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.53 2k77 n LEU 55 CO 0.00 -0.99 0.74 -0.83 -1.33 0.00 0.00 177.39 174.98 2k77 s GLY 56 N -4.52 -0.37 0.11 -0.72 0.00 -1.26 -4.33 107.32 96.22 2k77 s GLY 56 Ca 0.42 0.70 -0.22 0.00 0.00 0.00 0.00 44.72 45.62 2k77 s GLY 56 CO 0.29 0.21 1.71 1.48 0.00 0.00 0.00 173.10 176.80 2k77 h SER 57 N 2.00 -0.15 -0.70 1.64 4.64 -1.98 -1.83 113.55 117.16 2k77 h SER 57 Ca -0.23 0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.16 2k77 h SER 57 Cb 1.23 0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 63.35 2k77 h SER 57 CO 0.28 -0.07 0.44 -0.08 -0.87 0.00 0.00 176.83 176.53 2k77 h GLU 58 N -0.06 0.82 -0.32 4.77 4.81 -1.98 -0.08 114.58 122.54 2k77 h GLU 58 Ca 0.04 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2k77 h GLU 58 Cb 0.12 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2k77 h GLU 58 CO -0.09 0.54 0.11 0.87 -0.73 0.00 0.00 179.01 179.71 2k77 h LYS 59 N 0.85 0.49 -0.22 1.92 1.57 -1.91 -1.06 116.57 118.21 2k77 h LYS 59 Ca 0.29 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.84 2k77 h LYS 59 Cb 0.04 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2k77 h LYS 59 CO -0.12 0.52 -0.34 0.82 -0.57 0.00 0.00 179.45 179.77 2k77 h ILE 60 N 0.37 1.32 -0.54 1.86 2.04 -1.12 -3.00 117.51 118.43 2k77 h ILE 60 Ca 0.10 -1.55 -0.12 0.00 1.00 0.00 0.00 64.86 64.30 2k77 h ILE 60 Cb 0.23 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2k77 h ILE 60 CO -0.00 0.48 -0.12 1.56 0.00 0.00 0.00 178.15 180.07 2k77 h GLN 61 N 0.30 1.04 -0.58 2.37 4.20 -0.97 -1.70 115.11 119.76 2k77 h GLN 61 Ca 0.02 -0.39 -0.08 0.00 0.06 0.00 0.00 58.65 58.26 2k77 h GLN 61 Cb 0.93 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 2k77 h GLN 61 CO 0.08 1.08 0.06 1.57 -0.67 0.00 0.00 178.83 180.94 2k77 h LYS 62 N 0.92 0.98 -0.42 1.46 2.10 -1.27 -0.45 116.57 119.89 2k77 h LYS 62 Ca 0.14 -0.28 -0.09 0.00 -2.00 0.00 0.00 60.65 58.42 2k77 h LYS 62 Cb 0.69 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 31.90 2k77 h LYS 62 CO 0.05 0.95 -0.11 0.93 -2.00 0.00 0.00 179.45 179.27 2k77 h GLU 63 N 0.87 0.75 0.19 0.07 4.39 -1.44 -0.29 114.58 119.12 2k77 h GLU 63 Ca 0.17 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 2k77 h GLU 63 Cb 0.47 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2k77 h GLU 63 CO 0.02 0.83 -0.09 0.28 -1.16 0.00 0.00 179.01 178.89 2k77 h VAL 64 N 0.68 0.88 0.00 3.13 2.07 -1.17 -3.18 116.25 118.66 2k77 h VAL 64 Ca 0.11 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2k77 h VAL 64 Cb 0.58 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2k77 h VAL 64 CO 0.04 0.08 -0.06 -0.33 0.02 0.00 0.00 177.57 177.31 2k77 h GLU 65 N -0.41 0.00 0.00 1.57 5.08 -0.90 0.03 114.58 119.95 2k77 h GLU 65 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2k77 h GLU 65 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2k77 h GLU 65 CO 0.04 0.06 0.00 0.45 -1.00 0.00 0.00 179.01 178.56 2k77 n SER 66 N -4.39 0.68 -0.06 1.42 2.88 -0.13 -1.50 113.62 112.52 2k77 n SER 66 Ca -0.03 0.70 -0.08 0.00 -1.33 0.00 0.00 58.87 58.14 2k77 n SER 66 Cb 0.14 -0.83 -0.07 0.00 -0.75 0.00 0.00 64.21 62.70 2k77 n SER 66 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2k77 n LEU 67 N -2.29 1.85 -0.52 2.46 4.77 -0.15 -4.77 117.00 118.35 2k77 n LEU 67 Ca 0.01 -0.04 0.06 0.00 -0.03 0.00 0.00 56.01 56.00 2k77 n LEU 67 Cb 0.19 -0.19 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 2k77 n LEU 67 CO 0.18 0.55 0.49 2.30 -1.33 0.00 0.00 177.39 179.58 2k77 n ILE 68 N -2.70 0.32 0.41 -0.08 -5.35 -0.35 -4.79 119.36 106.82 2k77 n ILE 68 Ca -0.21 -0.66 0.01 0.00 -0.27 0.00 0.00 62.75 61.62 2k77 n ILE 68 Cb 0.78 1.00 0.06 0.00 -1.74 0.00 0.00 39.64 39.74 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 0.61 -0.21 0.14 3.28 0.00 -0.56 -2.98 105.19 105.47 2k77 n GLY 69 Ca 0.08 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.11 2k77 n GLY 69 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2k77 h ARG 70 N 0.00 0.00 -0.23 1.61 9.65 -1.86 -3.51 114.38 120.04 2k77 h ARG 70 Ca 0.00 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.90 2k77 h ARG 70 Cb 0.00 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 2k77 h ARG 70 CO 0.00 0.54 -0.08 0.41 2.80 0.00 0.00 179.97 183.64 2k77 n GLY 71 N 1.00 -2.52 2.22 2.80 0.00 -1.16 -4.94 105.19 102.59 2k77 n GLY 71 Ca 0.01 -1.43 -0.20 0.00 0.00 0.00 0.00 46.02 44.39 2k77 n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k77 n GLN 72 N -2.26 0.85 -2.68 1.61 6.02 -0.11 -4.95 117.38 115.87 2k77 n GLN 72 Ca -0.01 -3.23 -0.42 0.00 -0.01 0.00 0.00 57.00 53.33 2k77 n GLN 72 Cb 0.05 -1.46 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 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 -1.71 3.58 0.00 -1.09 2.12 -0.90 -2.70 118.70 118.00 2k77 s GLU 73 Ca 0.37 -1.30 0.00 0.00 0.36 0.00 0.00 54.97 54.41 2k77 s GLU 73 Cb 0.26 -5.18 0.00 0.00 0.26 0.00 0.00 34.13 29.47 2k77 s GLU 73 CO -0.10 -2.07 0.23 -1.33 -0.54 0.00 0.00 175.26 171.46 2k77 n MET 74 N 8.16 0.83 -2.38 4.30 2.81 -1.26 -5.05 117.12 124.53 2k77 n MET 74 Ca 0.29 -0.23 -0.11 0.00 -1.81 0.00 0.00 57.70 55.83 2k77 n MET 74 Cb 0.50 -0.68 -0.01 0.00 -0.71 0.00 0.00 33.22 32.32 2k77 n MET 74 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2k77 n SER 75 N -0.19 -3.64 -4.79 7.83 3.41 -1.26 -4.98 113.62 110.00 2k77 n SER 75 Ca 0.00 0.22 -0.34 0.00 -0.26 0.00 0.00 58.87 58.49 2k77 n SER 75 Cb 0.06 -3.12 -0.02 0.00 -0.26 0.00 0.00 64.21 60.87 2k77 n SER 75 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2k77 s GLN 76 N -4.91 3.59 0.29 4.33 0.74 -1.26 -5.03 119.66 117.41 2k77 s GLN 76 Ca 0.00 1.43 -0.29 0.00 0.05 0.00 0.00 55.36 56.54 2k77 s GLN 76 Cb 0.00 -2.06 -0.13 0.00 1.10 0.00 0.00 33.01 31.92 2k77 s GLN 76 CO 0.00 -0.62 1.29 2.41 -0.55 0.00 0.00 175.29 177.82 2k77 n THR 77 N -1.21 1.56 -1.81 -0.34 -1.04 -1.26 -4.82 114.28 105.36 2k77 n THR 77 Ca 0.10 -0.39 -0.42 0.00 -2.04 0.00 0.00 64.05 61.31 2k77 n THR 77 Cb 0.52 -1.42 -0.02 0.00 -1.82 0.00 0.00 70.33 67.59 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 -0.66 2.16 0.17 12.58 1.09 -1.26 -4.88 121.20 130.40 2k77 s ILE 78 Ca 0.61 0.13 0.03 0.00 -1.10 0.00 0.00 60.65 60.33 2k77 s ILE 78 Cb -0.63 -3.09 -0.05 0.00 -1.06 0.00 0.00 42.46 37.64 2k77 s ILE 78 CO 0.57 0.02 -0.04 -2.28 -0.10 0.00 0.00 174.94 173.11 2k77 s HIS 79 N 0.12 1.30 -0.11 3.97 2.46 -1.24 -4.99 115.29 116.81 2k77 s HIS 79 Ca 0.64 -0.89 -0.16 0.00 0.47 0.00 0.00 55.06 55.12 2k77 s HIS 79 Cb -0.47 -0.72 -0.05 0.00 -0.13 0.00 0.00 32.58 31.21 2k77 s HIS 79 CO 0.46 -0.06 0.40 0.71 -2.47 0.00 0.00 174.74 173.78 2k77 s TYR 80 N -3.47 3.53 0.88 3.88 1.51 -1.26 -0.69 117.35 121.73 2k77 s TYR 80 Ca 0.22 0.80 -0.10 0.00 -1.01 0.00 0.00 57.07 56.97 2k77 s TYR 80 Cb 0.05 -2.42 0.12 0.00 -0.11 0.00 0.00 41.96 39.60 2k77 s TYR 80 CO 0.03 0.29 1.12 0.95 -1.11 0.00 0.00 175.55 176.83 2k77 s THR 81 N 0.24 2.53 0.44 -0.71 -4.23 -0.52 -4.73 115.64 108.66 2k77 s THR 81 Ca 0.22 0.17 0.15 0.00 -1.18 0.00 0.00 61.69 61.05 2k77 s THR 81 Cb -0.15 -2.38 0.34 0.00 1.34 0.00 0.00 72.50 71.65 2k77 s THR 81 CO 0.09 -0.22 1.97 -0.65 -0.54 0.00 0.00 174.62 175.26 2k77 h PRO 82 N -1.65 0.37 -0.09 3.99 0.11 -1.98 1.00 132.00 133.75 2k77 h PRO 82 Ca -0.45 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.45 2k77 h PRO 82 Cb 1.26 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 32.30 2k77 h PRO 82 CO 0.46 0.25 -0.68 0.00 -0.21 0.00 0.00 178.00 177.82 2k77 h ARG 83 N 0.38 0.61 -0.58 1.05 2.47 -1.93 -1.56 114.38 114.83 2k77 h ARG 83 Ca 0.29 -0.55 -0.10 0.00 -1.26 0.00 0.00 59.98 58.37 2k77 h ARG 83 Cb 0.62 0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 29.05 2k77 h ARG 83 CO -0.08 1.16 -0.01 0.00 0.56 0.00 0.00 179.97 181.60 2k77 h ALA 84 N 0.46 0.78 -0.60 0.04 0.00 -1.69 -0.21 119.26 118.04 2k77 h ALA 84 Ca -0.06 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.57 2k77 h ALA 84 Cb 1.33 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2k77 h ALA 84 CO 0.14 0.63 0.36 -0.22 0.00 0.00 0.00 179.25 180.16 2k77 h LYS 85 N 0.92 0.69 -0.33 0.00 3.64 -0.84 -0.36 116.57 120.30 2k77 h LYS 85 Ca 0.16 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.38 2k77 h LYS 85 Cb 0.57 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2k77 h LYS 85 CO 0.03 0.46 -0.30 -0.22 -2.27 0.00 0.00 179.45 177.15 2k77 h LYS 86 N 0.71 0.69 -0.37 1.90 3.64 -1.09 -1.27 116.57 120.78 2k77 h LYS 86 Ca 0.24 -0.30 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2k77 h LYS 86 Cb 0.04 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 2k77 h LYS 86 CO -0.11 0.90 0.14 0.28 -2.27 0.00 0.00 179.45 178.39 2k77 h VAL 87 N 0.59 0.92 -0.52 2.00 2.07 -0.67 0.52 116.25 121.15 2k77 h VAL 87 Ca 0.07 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 2k77 h VAL 87 Cb 0.80 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2k77 h VAL 87 CO 0.07 0.06 0.21 0.40 0.02 0.00 0.00 177.57 178.32 2k77 h ILE 88 N 0.30 1.22 -0.45 4.57 1.08 -0.78 0.15 117.51 123.61 2k77 h ILE 88 Ca 0.16 -0.67 -0.11 0.00 -0.39 0.00 0.00 64.86 63.85 2k77 h ILE 88 Cb 0.12 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 34.54 2k77 h ILE 88 CO -0.15 0.26 -0.14 -0.33 -0.69 0.00 0.00 178.15 177.09 2k77 h GLU 89 N 0.70 0.84 -0.58 2.37 5.08 -1.08 -1.64 114.58 120.28 2k77 h GLU 89 Ca 0.17 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 2k77 h GLU 89 Cb 0.20 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2k77 h GLU 89 CO -0.01 0.93 0.02 -0.07 -1.00 0.00 0.00 179.01 178.88 2k77 h LEU 90 N 0.75 0.98 -0.75 1.33 3.38 -0.66 -0.43 115.31 119.92 2k77 h LEU 90 Ca 0.12 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.82 2k77 h LEU 90 Cb 0.66 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2k77 h LEU 90 CO 0.05 1.03 0.48 0.28 0.09 0.00 0.00 178.44 180.37 2k77 h SER 91 N 0.90 0.79 0.48 -0.43 0.02 -0.52 0.18 113.55 114.97 2k77 h SER 91 Ca 0.17 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.97 2k77 h SER 91 Cb 0.52 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 2k77 h SER 91 CO 0.03 0.55 -0.63 -0.03 -1.14 0.00 0.00 176.83 175.61 2k77 h MET 92 N 0.94 0.14 -0.15 3.45 1.85 -1.15 -1.40 114.93 118.62 2k77 h MET 92 Ca 0.29 -0.10 -0.13 0.00 -0.61 0.00 0.00 59.70 59.15 2k77 h MET 92 Cb -0.01 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.03 2k77 h MET 92 CO -0.10 0.72 -0.48 0.22 -0.40 0.00 0.00 176.91 176.87 2k77 h ASP 93 N 0.10 0.41 -0.17 1.39 3.58 -0.54 0.22 116.42 121.41 2k77 h ASP 93 Ca -0.01 -0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.21 2k77 h ASP 93 Cb 1.13 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.06 2k77 h ASP 93 CO 0.09 0.83 0.01 -0.33 -2.88 0.00 0.00 179.24 176.96 2k77 h GLU 94 N 0.31 0.30 -0.47 0.28 4.39 -0.87 -1.65 114.58 116.86 2k77 h GLU 94 Ca 0.02 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2k77 h GLU 94 Cb 0.97 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 2k77 h GLU 94 CO 0.08 0.50 0.31 0.00 -1.16 0.00 0.00 179.01 178.75 2k77 h ALA 95 N 0.78 1.67 -0.21 3.43 0.00 -1.16 -1.21 119.26 122.56 2k77 h ALA 95 Ca 0.05 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 2k77 h ALA 95 Cb 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2k77 h ALA 95 CO 0.01 0.31 -0.40 -0.09 0.00 0.00 0.00 179.25 179.07 2k77 h ARG 96 N 0.63 0.65 -0.03 0.00 2.43 -0.89 -0.93 114.38 116.24 2k77 h ARG 96 Ca 0.17 -0.42 -0.13 0.00 -0.81 0.00 0.00 59.98 58.79 2k77 h ARG 96 Cb -0.07 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 2k77 h ARG 96 CO -0.04 1.03 -0.59 0.87 -1.51 0.00 0.00 179.97 179.73 2k77 h LYS 97 N 0.35 0.11 -0.00 0.20 1.57 -1.09 -2.86 116.57 114.86 2k77 h LYS 97 Ca 0.01 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2k77 h LYS 97 Cb 1.00 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.33 2k77 h LYS 97 CO 0.09 0.67 -0.11 1.28 -0.57 0.00 0.00 179.45 180.81 2k77 n LEU 98 N -3.86 0.12 -0.42 2.94 4.32 -0.48 -4.98 117.00 114.65 2k77 n LEU 98 Ca -0.02 0.37 -0.04 0.00 -0.02 0.00 0.00 56.01 56.31 2k77 n LEU 98 Cb 0.60 -0.43 -0.00 0.00 -1.62 0.00 0.00 43.42 41.96 2k77 n LEU 98 CO 0.43 0.03 -0.05 0.61 -1.22 0.00 0.00 177.39 177.19 2k77 n GLY 99 N 1.49 0.29 0.14 -0.72 0.00 -0.46 -4.97 105.19 100.96 2k77 n GLY 99 Ca 0.07 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.46 2k77 n GLY 99 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2k77 h HIS 100 N 0.00 0.00 0.00 1.61 3.86 -1.56 -3.48 115.15 115.59 2k77 h HIS 100 Ca -0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2k77 h HIS 100 Cb 0.92 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.39 2k77 h HIS 100 CO 0.10 0.00 0.00 0.43 0.86 0.00 0.00 177.93 179.32 2k77 n SER 101 N -2.45 -0.50 -3.53 2.45 7.64 -1.26 -4.91 113.62 111.06 2k77 n SER 101 Ca 0.05 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.80 2k77 n SER 101 Cb 0.42 -2.42 -0.04 0.00 -1.01 0.00 0.00 64.21 61.16 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 -1.18 -0.43 -0.28 1.43 -0.85 -1.26 -4.75 117.35 110.02 2k77 s TYR 102 Ca 0.00 0.35 -0.22 0.00 -0.52 0.00 0.00 57.07 56.68 2k77 s TYR 102 Cb 0.00 0.40 -0.01 0.00 0.38 0.00 0.00 41.96 42.73 2k77 s TYR 102 CO 0.00 -0.72 0.73 0.08 -1.52 0.00 0.00 175.55 174.12 2k77 s VAL 103 N -3.06 4.87 0.69 -3.49 1.01 0.12 -4.87 120.40 115.67 2k77 s VAL 103 Ca -0.02 1.18 -0.05 0.00 0.00 0.00 0.00 61.98 63.09 2k77 s VAL 103 Cb -0.00 -4.06 0.06 0.00 0.00 0.00 0.00 36.38 32.38 2k77 s VAL 103 CO -0.07 -0.13 0.99 -0.83 0.00 0.00 0.00 175.10 175.06 2k77 s GLY 104 N 1.54 1.71 0.28 4.51 0.00 -1.26 -1.20 107.32 112.91 2k77 s GLY 104 Ca 0.30 -1.03 -0.02 0.00 0.00 0.00 0.00 44.72 43.97 2k77 s GLY 104 CO 0.10 -0.62 1.92 -0.91 0.00 0.00 0.00 173.10 173.59 2k77 h THR 105 N -0.53 1.14 -0.45 0.90 1.35 -1.94 -1.48 112.91 111.89 2k77 h THR 105 Ca -0.44 -0.39 0.09 0.00 -0.55 0.00 0.00 66.41 65.12 2k77 h THR 105 Cb 1.31 -0.10 -0.10 0.00 -1.73 0.00 0.00 68.15 67.53 2k77 h THR 105 CO 0.57 0.21 -0.31 1.05 -0.25 0.00 0.00 175.52 176.79 2k77 h GLU 106 N 1.14 -0.20 -0.08 4.72 9.09 -1.94 -1.62 114.58 125.69 2k77 h GLU 106 Ca 0.38 0.01 -0.10 0.00 0.05 0.00 0.00 59.36 59.70 2k77 h GLU 106 Cb 0.06 0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.19 2k77 h GLU 106 CO -0.12 -0.14 -0.42 0.45 0.05 0.00 0.00 179.01 178.83 2k77 h HIS 107 N -0.21 0.21 -0.40 2.06 3.86 -1.72 -1.60 115.15 117.35 2k77 h HIS 107 Ca 0.19 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.35 2k77 h HIS 107 Cb 0.53 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.93 2k77 h HIS 107 CO -0.55 0.57 0.26 0.82 0.86 0.00 0.00 177.93 179.89 2k77 h ILE 108 N 0.15 1.09 -0.48 2.45 2.04 -0.76 -0.82 117.51 121.19 2k77 h ILE 108 Ca 0.01 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 2k77 h ILE 108 Cb 0.81 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 2k77 h ILE 108 CO 0.06 0.10 0.17 0.25 0.00 0.00 0.00 178.15 178.73 2k77 h LEU 109 N 0.53 0.68 -1.37 1.44 5.85 -0.99 -1.46 115.31 119.99 2k77 h LEU 109 Ca 0.15 -0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.76 2k77 h LEU 109 Cb -0.05 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 2k77 h LEU 109 CO -0.04 0.69 0.50 -0.07 -0.34 0.00 0.00 178.44 179.18 2k77 h LEU 110 N 0.64 0.65 -0.43 2.25 3.38 -1.00 -1.46 115.31 119.34 2k77 h LEU 110 Ca 0.16 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 2k77 h LEU 110 Cb 0.24 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2k77 h LEU 110 CO -0.01 0.40 -0.05 1.23 0.09 0.00 0.00 178.44 180.10 2k77 h GLY 111 N 0.73 0.85 1.00 0.83 0.00 -0.82 -1.38 103.07 104.28 2k77 h GLY 111 Ca 0.34 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2k77 h GLY 111 CO -0.12 0.61 0.38 1.41 0.00 0.00 0.00 176.54 178.82 2k77 h LEU 112 N 0.62 0.72 -0.25 3.11 3.38 -0.29 -1.18 115.31 121.41 2k77 h LEU 112 Ca 0.11 -0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.83 2k77 h LEU 112 Cb 0.56 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2k77 h LEU 112 CO 0.03 0.55 -0.82 0.16 0.09 0.00 0.00 178.44 178.44 2k77 h ILE 113 N 0.82 1.35 0.00 1.22 3.07 -1.39 -3.28 117.51 119.30 2k77 h ILE 113 Ca 0.22 -2.19 -0.05 0.00 1.55 0.00 0.00 64.86 64.40 2k77 h ILE 113 Cb -0.05 2.18 -0.01 0.00 -0.27 0.00 0.00 36.82 38.67 2k77 h ILE 113 CO -0.04 0.67 -0.22 -0.09 -1.05 0.00 0.00 178.15 177.41 2k77 h ARG 114 N 0.34 0.00 -0.24 0.16 9.65 -1.00 -2.08 114.38 121.22 2k77 h ARG 114 Ca -0.06 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.79 2k77 h ARG 114 Cb 1.44 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.00 2k77 h ARG 114 CO 0.15 0.22 0.00 1.49 2.80 0.00 0.00 179.97 184.64 2k77 h GLU 115 N 0.00 0.35 0.00 0.20 4.57 -1.28 -3.47 114.58 114.95 2k77 h GLU 115 Ca -0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2k77 h GLU 115 Cb 0.40 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2k77 h GLU 115 CO 0.03 0.38 0.00 0.41 -1.18 0.00 0.00 179.01 178.65 2k77 n GLY 116 N -1.07 1.09 0.00 1.92 0.00 -0.79 -4.42 105.19 101.93 2k77 n GLY 116 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.25 0.27 -1.14 1.61 2.13 -1.26 -4.68 120.64 117.31 2k77 n GLU 117 Ca 0.00 -0.04 -0.32 0.00 0.66 0.00 0.00 57.16 57.46 2k77 n GLU 117 Cb 0.00 -1.11 0.12 0.00 0.27 0.00 0.00 31.44 30.72 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 -2.53 1.89 0.38 8.31 0.00 -1.26 -4.83 107.32 109.28 2k77 s GLY 118 Ca -0.02 0.57 0.12 0.00 0.00 0.00 0.00 44.72 45.39 2k77 s GLY 118 CO 0.20 0.96 1.86 -2.08 0.00 0.00 0.00 173.10 174.04 2k77 h VAL 119 N -1.08 0.77 -0.59 1.40 2.07 -1.95 -1.71 116.25 115.15 2k77 h VAL 119 Ca -0.45 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 66.94 2k77 h VAL 119 Cb 1.26 0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 2k77 h VAL 119 CO 0.48 0.11 0.27 0.00 0.02 0.00 0.00 177.57 178.45 2k77 h ALA 120 N 1.61 0.76 -0.48 1.67 0.00 -1.91 -0.37 119.26 120.55 2k77 h ALA 120 Ca 0.46 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.32 2k77 h ALA 120 Cb 0.90 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2k77 h ALA 120 CO -0.21 -0.10 -0.10 0.00 0.00 0.00 0.00 179.25 178.85 2k77 h ALA 121 N 1.35 0.93 -0.13 0.00 0.00 -1.49 -2.44 119.26 117.48 2k77 h ALA 121 Ca 0.27 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2k77 h ALA 121 Cb 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2k77 h ALA 121 CO -0.22 0.63 0.07 0.00 0.00 0.00 0.00 179.25 179.72 2k77 h ARG 122 N 0.78 0.19 0.03 0.00 3.08 -1.23 -2.28 114.38 114.95 2k77 h ARG 122 Ca 0.13 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.17 2k77 h ARG 122 Cb 0.61 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 2k77 h ARG 122 CO 0.04 0.23 -0.09 0.28 -1.07 0.00 0.00 179.97 179.36 2k77 h VAL 123 N 0.10 0.77 -0.67 2.04 2.07 -1.01 -0.11 116.25 119.44 2k77 h VAL 123 Ca 0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 2k77 h VAL 123 Cb 0.11 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2k77 h VAL 123 CO -0.01 0.00 0.36 -0.07 0.02 0.00 0.00 177.57 177.87 2k77 h LEU 124 N -0.17 0.84 -0.86 2.57 3.38 -1.44 -0.89 115.31 118.74 2k77 h LEU 124 Ca 0.03 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 2k77 h LEU 124 Cb 0.20 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2k77 h LEU 124 CO -0.07 0.70 -0.54 0.78 0.09 0.00 0.00 178.44 179.40 2k77 h ASN 125 N 0.92 0.00 0.02 -0.43 2.35 -1.20 0.71 115.58 117.94 2k77 h ASN 125 Ca 0.23 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.79 2k77 h ASN 125 Cb 0.06 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 2k77 h ASN 125 CO -0.04 0.54 -0.68 -1.13 -1.65 0.00 0.00 177.43 174.48 2k77 h ASN 126 N 0.00 0.71 -0.03 5.81 -1.24 -0.68 -3.15 115.58 117.00 2k77 h ASN 126 Ca -0.01 -0.43 -0.14 0.00 0.71 0.00 0.00 56.30 56.43 2k77 h ASN 126 Cb 1.00 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.84 2k77 h ASN 126 CO 0.07 1.19 -0.46 -0.07 -1.29 0.00 0.00 177.43 176.88 2k77 h LEU 127 N 0.44 0.62 0.00 0.34 3.38 -1.03 -3.48 115.31 115.57 2k77 h LEU 127 Ca -0.02 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2k77 h LEU 127 Cb 1.27 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2k77 h LEU 127 CO 0.13 0.99 0.00 0.61 0.09 0.00 0.00 178.44 180.26 2k77 n GLY 128 N 0.09 -0.16 3.74 0.83 0.00 -0.15 -5.10 105.19 104.43 2k77 n GLY 128 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.66 4.93 0.50 1.61 1.01 0.06 -4.92 120.40 122.92 2k77 s VAL 129 Ca 0.00 1.43 0.08 0.00 0.00 0.00 0.00 61.98 63.50 2k77 s VAL 129 Cb 0.00 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.39 2k77 s VAL 129 CO 0.00 0.32 0.63 -0.94 0.00 0.00 0.00 175.10 175.11 2k77 s SER 130 N 0.32 5.25 0.25 3.32 1.04 -1.26 -2.72 113.70 119.90 2k77 s SER 130 Ca 0.36 -0.72 -0.03 0.00 0.48 0.00 0.00 55.95 56.04 2k77 s SER 130 Cb -0.19 -0.13 0.46 0.00 0.10 0.00 0.00 66.02 66.26 2k77 s SER 130 CO 0.19 -1.04 1.78 -0.07 0.98 0.00 0.00 173.24 175.08 2k77 h LEU 131 N 0.49 0.56 -0.11 2.42 4.07 -1.98 -2.18 115.31 118.58 2k77 h LEU 131 Ca -0.35 0.07 -0.17 0.00 0.08 0.00 0.00 57.88 57.51 2k77 h LEU 131 Cb 1.28 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 43.01 2k77 h LEU 131 CO 0.46 0.28 -0.60 -1.13 -1.08 0.00 0.00 178.44 176.37 2k77 h ASN 132 N 0.67 0.71 -0.41 -0.43 -0.73 -1.98 -0.37 115.58 113.04 2k77 h ASN 132 Ca 0.42 -0.65 -0.03 0.00 1.87 0.00 0.00 56.30 57.92 2k77 h ASN 132 Cb 0.52 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.88 2k77 h ASN 132 CO -0.31 1.25 0.14 0.11 -0.37 0.00 0.00 177.43 178.24 2k77 h LYS 133 N 0.23 0.63 -0.21 6.67 1.79 -1.93 -0.95 116.57 122.80 2k77 h LYS 133 Ca -0.04 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.29 2k77 h LYS 133 Cb 1.24 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.79 2k77 h LYS 133 CO 0.12 0.61 0.09 0.00 -1.08 0.00 0.00 179.45 179.20 2k77 h ALA 134 N 0.98 0.27 -0.14 3.86 0.00 -1.45 -3.00 119.26 119.79 2k77 h ALA 134 Ca 0.13 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2k77 h ALA 134 Cb 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2k77 h ALA 134 CO -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 179.25 179.09 2k77 h ARG 135 N 0.19 0.03 -0.81 0.00 3.08 -0.79 0.00 114.38 116.08 2k77 h ARG 135 Ca 0.07 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 2k77 h ARG 135 Cb 0.16 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 2k77 h ARG 135 CO -0.01 0.02 0.42 1.96 -1.07 0.00 0.00 179.97 181.29 2k77 h GLN 136 N 0.03 1.14 -0.20 0.04 4.20 -1.23 0.52 115.11 119.60 2k77 h GLN 136 Ca 0.06 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 2k77 h GLN 136 Cb 0.08 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 2k77 h GLN 136 CO -0.12 0.86 -0.19 1.96 -0.67 0.00 0.00 178.83 180.67 2k77 h GLN 137 N 1.13 0.49 -0.33 1.46 1.08 -1.35 -2.23 115.11 115.37 2k77 h GLN 137 Ca 0.28 -0.25 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 2k77 h GLN 137 Cb 0.07 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2k77 h GLN 137 CO -0.04 0.83 0.10 0.28 -0.95 0.00 0.00 178.83 179.05 2k77 h VAL 138 N 0.17 1.21 0.00 -0.54 2.07 -0.82 0.24 116.25 118.58 2k77 h VAL 138 Ca 0.03 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 2k77 h VAL 138 Cb 0.73 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2k77 h VAL 138 CO 0.05 0.23 -0.28 -0.07 0.02 0.00 0.00 177.57 177.52 2k77 h LEU 139 N 0.38 0.00 0.01 2.57 3.38 -0.95 -1.76 115.31 118.94 2k77 h LEU 139 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2k77 h LEU 139 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2k77 h LEU 139 CO -0.00 0.28 -0.07 1.56 0.09 0.00 0.00 178.44 180.30 2k77 h GLN 140 N 0.00 0.03 0.00 1.13 4.20 -1.27 -3.40 115.11 115.80 2k77 h GLN 140 Ca -0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2k77 h GLN 140 Cb 0.67 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.46 2k77 h GLN 140 CO 0.04 0.98 0.00 1.25 -0.67 0.00 0.00 178.83 180.42 2k77 h LEU 141 N -0.90 0.00 0.00 1.46 5.85 -0.76 -0.15 115.31 120.81 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 1.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.04 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 -2.92 0.00 0.00 2.25 -0.00 -0.68 -4.70 117.00 110.95 2k77 n LEU 142 Ca 0.02 0.43 0.00 0.00 -0.00 0.00 0.00 56.01 56.45 2k77 n LEU 142 Cb 0.34 -0.43 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 2k77 n LEU 142 CO 0.27 -0.25 0.00 0.61 -0.00 0.00 0.00 177.39 178.03 2k77 n GLY 143 N -0.23 0.00 0.09 1.47 0.00 -1.16 -5.04 105.19 100.33 2k77 n GLY 143 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 2k77 n GLY 143 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2k77 h SER 144 N 0.00 0.23 -0.02 1.61 0.87 -1.37 -3.52 113.55 111.35 2k77 h SER 144 Ca 0.00 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2k77 h SER 144 Cb 0.00 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2k77 h SER 144 CO 0.00 1.22 0.00 -3.20 -0.53 0.00 0.00 176.83 174.32