#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k77 n MET 2 N 0.00 -2.95 -0.09 3.17 0.00 -1.26 -4.83 117.12 111.16 2k77 n MET 2 Ca 0.00 2.39 -0.13 0.00 0.00 0.00 0.00 57.70 59.97 2k77 n MET 2 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 33.22 29.85 2k77 n MET 2 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 2k77 h PHE 3 N -0.99 0.76 0.00 1.12 -5.15 -1.98 -3.47 116.94 107.23 2k77 h PHE 3 Ca -0.14 -0.21 0.00 0.00 -0.20 0.00 0.00 57.97 57.41 2k77 h PHE 3 Cb 1.12 -0.16 0.00 0.00 0.22 0.00 0.00 35.95 37.12 2k77 h PHE 3 CO 0.05 0.92 0.00 0.41 -2.00 0.00 0.00 178.31 177.69 2k77 n GLY 4 N 0.10 0.19 3.80 6.09 0.00 -1.26 -4.97 105.19 109.13 2k77 n GLY 4 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 2k77 n GLY 4 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k77 s ARG 5 N -0.99 4.39 0.05 1.61 1.81 -1.26 -5.00 118.95 119.57 2k77 s ARG 5 Ca 0.00 1.03 0.06 0.00 -1.72 0.00 0.00 55.73 55.10 2k77 s ARG 5 Cb 0.00 -2.94 -0.04 0.00 -0.45 0.00 0.00 34.95 31.53 2k77 s ARG 5 CO 0.00 0.40 -0.12 -0.06 -0.68 0.00 0.00 175.30 174.85 2k77 s PHE 6 N -1.47 2.73 0.90 -0.53 0.40 -1.26 -0.66 117.98 118.09 2k77 s PHE 6 Ca 0.43 -0.15 -0.11 0.00 -0.60 0.00 0.00 56.93 56.50 2k77 s PHE 6 Cb -0.18 -1.50 0.14 0.00 0.51 0.00 0.00 43.02 41.98 2k77 s PHE 6 CO 0.23 0.35 1.10 0.95 0.70 0.00 0.00 175.22 178.55 2k77 s THR 7 N -1.05 2.54 0.53 0.64 -4.23 -0.20 -4.74 115.64 109.12 2k77 s THR 7 Ca 0.18 0.18 0.17 0.00 -1.18 0.00 0.00 61.69 61.04 2k77 s THR 7 Cb -0.11 -2.44 0.28 0.00 1.34 0.00 0.00 72.50 71.57 2k77 s THR 7 CO 0.09 -0.23 2.16 1.05 -0.54 0.00 0.00 174.62 177.15 2k77 h GLU 8 N -1.69 0.00 -0.24 3.99 4.11 -1.99 -0.42 114.58 118.34 2k77 h GLU 8 Ca -0.47 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 58.86 2k77 h GLU 8 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 2k77 h GLU 8 CO 0.48 0.00 -0.24 0.00 0.07 0.00 0.00 179.01 179.32 2k77 h ARG 9 N 0.00 0.59 -0.24 1.06 3.08 -1.95 -2.72 114.38 114.21 2k77 h ARG 9 Ca -0.00 -0.31 -0.19 0.00 0.07 0.00 0.00 59.98 59.55 2k77 h ARG 9 Cb 0.01 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2k77 h ARG 9 CO 0.00 0.91 -0.59 0.00 -1.07 0.00 0.00 179.97 179.22 2k77 h ALA 10 N 0.67 0.39 -0.57 0.04 0.00 -1.71 -2.65 119.26 115.43 2k77 h ALA 10 Ca 0.04 -0.53 0.06 0.00 0.00 0.00 0.00 54.91 54.48 2k77 h ALA 10 Cb 0.80 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2k77 h ALA 10 CO 0.06 0.63 0.38 1.96 0.00 0.00 0.00 179.25 182.28 2k77 h GLN 11 N 0.57 0.53 -0.38 0.00 4.20 -1.18 -1.96 115.11 116.88 2k77 h GLN 11 Ca -0.01 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 2k77 h GLN 11 Cb 1.20 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.85 2k77 h GLN 11 CO 0.13 0.35 0.13 -0.22 -0.67 0.00 0.00 178.83 178.55 2k77 h LYS 12 N 0.54 0.57 -0.36 1.46 3.11 -1.14 -0.25 116.57 120.51 2k77 h LYS 12 Ca 0.25 -0.12 -0.08 0.00 -2.81 0.00 0.00 60.65 57.89 2k77 h LYS 12 Cb 0.28 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.40 2k77 h LYS 12 CO -0.07 0.57 -0.10 -0.39 -2.81 0.00 0.00 179.45 176.65 2k77 h VAL 13 N 0.46 1.24 -0.07 2.00 -1.51 -1.13 -0.75 116.25 116.48 2k77 h VAL 13 Ca 0.12 -1.06 -0.17 0.00 -1.23 0.00 0.00 66.70 64.37 2k77 h VAL 13 Cb 0.23 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.45 2k77 h VAL 13 CO -0.01 0.35 -0.69 -0.07 -1.23 0.00 0.00 177.57 175.93 2k77 h LEU 14 N 0.57 0.39 -0.72 4.19 3.38 -1.26 -0.25 115.31 121.61 2k77 h LEU 14 Ca 0.10 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 2k77 h LEU 14 Cb 0.51 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2k77 h LEU 14 CO 0.03 0.96 -0.09 0.00 0.09 0.00 0.00 178.44 179.44 2k77 h ALA 15 N 1.03 0.91 -0.30 1.53 0.00 -0.78 -2.96 119.26 118.69 2k77 h ALA 15 Ca -0.02 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 2k77 h ALA 15 Cb 1.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2k77 h ALA 15 CO 0.11 0.63 -0.36 -0.07 0.00 0.00 0.00 179.25 179.57 2k77 h LEU 16 N 0.81 0.70 -1.93 0.00 3.38 -1.04 -3.08 115.31 114.15 2k77 h LEU 16 Ca 0.13 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.85 2k77 h LEU 16 Cb 0.60 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2k77 h LEU 16 CO 0.04 0.99 0.15 0.00 0.09 0.00 0.00 178.44 179.71 2k77 h ALA 17 N 1.05 2.08 -0.46 1.53 0.00 -0.90 0.11 119.26 122.67 2k77 h ALA 17 Ca 0.06 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2k77 h ALA 17 Cb 0.87 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2k77 h ALA 17 CO 0.08 -0.13 -0.18 0.37 0.00 0.00 0.00 179.25 179.39 2k77 h GLN 18 N 0.10 0.94 -0.22 0.00 4.15 -1.44 -1.01 115.11 117.63 2k77 h GLN 18 Ca 0.10 -0.39 -0.12 0.00 0.77 0.00 0.00 58.65 59.00 2k77 h GLN 18 Cb 0.26 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2k77 h GLN 18 CO -0.01 1.05 -0.37 1.49 -1.93 0.00 0.00 178.83 179.06 2k77 h GLU 19 N 0.78 0.49 -0.32 1.69 4.81 -1.16 -1.18 114.58 119.69 2k77 h GLU 19 Ca 0.11 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2k77 h GLU 19 Cb 0.75 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 2k77 h GLU 19 CO 0.06 0.79 0.16 0.93 -0.73 0.00 0.00 179.01 180.23 2k77 h GLU 20 N 0.41 0.46 -0.84 1.92 4.39 -0.99 0.01 114.58 119.94 2k77 h GLU 20 Ca 0.04 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2k77 h GLU 20 Cb 0.84 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.37 2k77 h GLU 20 CO 0.07 0.41 0.53 0.00 -1.16 0.00 0.00 179.01 178.87 2k77 h ALA 21 N 1.02 1.36 0.02 3.43 0.00 -0.97 -2.53 119.26 121.59 2k77 h ALA 21 Ca 0.11 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 2k77 h ALA 21 Cb 0.09 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.56 2k77 h ALA 21 CO -0.02 0.58 -0.68 -0.07 0.00 0.00 0.00 179.25 179.06 2k77 h LEU 22 N 1.15 0.57 -1.31 0.00 3.38 -1.08 -0.44 115.31 117.58 2k77 h LEU 22 Ca 0.31 -0.78 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 2k77 h LEU 22 Cb -0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2k77 h LEU 22 CO -0.06 1.28 -0.26 0.08 0.09 0.00 0.00 178.44 179.56 2k77 h ARG 23 N -0.08 0.13 0.00 1.13 0.11 -0.95 -2.16 114.38 112.56 2k77 h ARG 23 Ca -0.09 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.95 2k77 h ARG 23 Cb 1.40 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.47 2k77 h ARG 23 CO 0.13 0.39 -0.16 1.28 0.10 0.00 0.00 179.97 181.71 2k77 n LEU 24 N -4.18 0.17 -1.02 0.08 4.77 -0.96 -4.97 117.00 110.90 2k77 n LEU 24 Ca -0.01 0.34 -0.09 0.00 -0.03 0.00 0.00 56.01 56.22 2k77 n LEU 24 Cb 0.35 -0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2k77 n LEU 24 CO 0.39 0.04 -0.10 0.61 -1.33 0.00 0.00 177.39 176.99 2k77 n GLY 25 N 1.50 0.03 0.09 -0.72 0.00 -0.81 -0.87 105.19 104.41 2k77 n GLY 25 Ca 0.06 -0.52 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 2k77 n GLY 25 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2k77 h HIS 26 N -0.06 0.00 -0.01 1.61 3.86 -1.33 0.53 115.15 119.74 2k77 h HIS 26 Ca -0.20 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.00 2k77 h HIS 26 Cb 1.15 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.62 2k77 h HIS 26 CO 0.23 0.78 -0.00 0.09 0.86 0.00 0.00 177.93 179.88 2k77 n ASN 27 N -3.06 -4.39 -3.90 2.45 5.03 -1.16 -4.80 115.26 105.42 2k77 n ASN 27 Ca -0.09 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.26 2k77 n ASN 27 Cb 0.91 -2.71 -0.10 0.00 -1.02 0.00 0.00 39.78 36.87 2k77 n ASN 27 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2k77 s ASN 28 N -1.47 0.09 -0.34 6.41 2.20 -1.26 -3.66 114.94 116.91 2k77 s ASN 28 Ca 0.00 -0.32 -0.14 0.00 -0.94 0.00 0.00 52.86 51.46 2k77 s ASN 28 Cb 0.00 0.19 -0.02 0.00 -2.00 0.00 0.00 41.25 39.42 2k77 s ASN 28 CO 0.00 -0.38 0.32 -0.63 -2.94 0.00 0.00 177.10 173.46 2k77 s ILE 29 N -1.61 5.21 0.60 0.54 1.01 -0.00 -4.69 121.20 122.26 2k77 s ILE 29 Ca -0.13 -0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.56 2k77 s ILE 29 Cb -0.07 -3.77 0.09 0.00 0.01 0.00 0.00 42.46 38.72 2k77 s ILE 29 CO 0.00 -0.05 0.83 -0.83 0.00 0.00 0.00 174.94 174.89 2k77 s GLY 30 N 1.73 1.75 0.29 6.18 0.00 -1.26 -1.54 107.32 114.47 2k77 s GLY 30 Ca 0.10 -2.00 0.01 0.00 0.00 0.00 0.00 44.72 42.83 2k77 s GLY 30 CO 0.11 -1.53 1.87 -0.91 0.00 0.00 0.00 173.10 172.65 2k77 h THR 31 N 0.02 0.99 -0.52 0.90 1.35 -1.92 -1.87 112.91 111.87 2k77 h THR 31 Ca -0.32 -0.35 0.10 0.00 -0.55 0.00 0.00 66.41 65.29 2k77 h THR 31 Cb 1.28 -0.11 -0.09 0.00 -1.73 0.00 0.00 68.15 67.51 2k77 h THR 31 CO 0.41 0.18 -0.06 1.05 -0.25 0.00 0.00 175.52 176.86 2k77 h GLU 32 N 1.01 0.06 0.00 4.72 9.09 -1.94 -0.38 114.58 127.14 2k77 h GLU 32 Ca 0.44 -0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.73 2k77 h GLU 32 Cb 0.35 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.42 2k77 h GLU 32 CO -0.20 0.04 -0.59 0.45 0.05 0.00 0.00 179.01 178.76 2k77 h HIS 33 N 0.06 0.00 -0.20 2.06 3.86 -1.71 0.04 115.15 119.26 2k77 h HIS 33 Ca 0.26 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.33 2k77 h HIS 33 Cb 0.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.87 2k77 h HIS 33 CO -0.37 0.59 -0.42 0.82 0.86 0.00 0.00 177.93 179.40 2k77 h ILE 34 N 0.00 1.32 -0.82 2.45 2.04 -1.09 0.11 117.51 121.53 2k77 h ILE 34 Ca -0.01 -1.65 -0.04 0.00 1.00 0.00 0.00 64.86 64.16 2k77 h ILE 34 Cb 1.09 1.87 -0.04 0.00 -0.74 0.00 0.00 36.82 39.01 2k77 h ILE 34 CO 0.08 0.51 0.34 0.25 0.00 0.00 0.00 178.15 179.33 2k77 h LEU 35 N 0.32 1.11 -0.61 1.44 5.85 -0.95 -0.98 115.31 121.49 2k77 h LEU 35 Ca 0.00 -0.16 -0.15 0.00 0.84 0.00 0.00 57.88 58.41 2k77 h LEU 35 Cb 1.03 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2k77 h LEU 35 CO 0.09 0.97 -0.56 0.25 -0.34 0.00 0.00 178.44 178.85 2k77 h LEU 36 N 1.18 0.44 -0.99 2.25 5.85 -0.95 -2.62 115.31 120.46 2k77 h LEU 36 Ca 0.27 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 2k77 h LEU 36 Cb 0.19 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2k77 h LEU 36 CO -0.03 0.91 0.17 1.23 -0.34 0.00 0.00 178.44 180.38 2k77 h GLY 37 N 1.25 0.97 0.77 3.75 0.00 -0.55 -0.21 103.07 109.04 2k77 h GLY 37 Ca 0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 2k77 h GLY 37 CO 0.10 0.51 -0.26 1.41 0.00 0.00 0.00 176.54 178.30 2k77 h LEU 38 N 0.87 -0.69 -1.20 3.11 3.38 -0.98 -1.59 115.31 118.21 2k77 h LEU 38 Ca 0.19 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 2k77 h LEU 38 Cb 0.27 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2k77 h LEU 38 CO -0.01 -0.39 -0.23 -0.37 0.09 0.00 0.00 178.44 177.53 2k77 h VAL 39 N -0.59 0.59 -0.16 1.22 -1.51 -1.37 -0.91 116.25 113.52 2k77 h VAL 39 Ca -0.02 -1.09 -0.08 0.00 -1.23 0.00 0.00 66.70 64.28 2k77 h VAL 39 Cb 0.52 1.73 -0.01 0.00 -2.13 0.00 0.00 31.29 31.40 2k77 h VAL 39 CO -0.02 0.22 -0.25 -0.09 -1.23 0.00 0.00 177.57 176.20 2k77 h ARG 40 N 0.00 0.30 -0.07 5.19 9.65 -0.90 -2.92 114.38 125.62 2k77 h ARG 40 Ca -0.00 -0.10 -0.12 0.00 -1.10 0.00 0.00 59.98 58.66 2k77 h ARG 40 Cb 0.71 -0.02 0.01 0.00 -1.39 0.00 0.00 29.97 29.27 2k77 h ARG 40 CO 0.03 0.53 -0.43 1.49 2.80 0.00 0.00 179.97 184.40 2k77 h GLU 41 N 0.27 0.41 0.00 0.20 4.57 -0.81 -3.48 114.58 115.74 2k77 h GLU 41 Ca 0.04 -0.35 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 2k77 h GLU 41 Cb 0.59 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 2k77 h GLU 41 CO 0.04 0.99 0.00 0.41 -1.18 0.00 0.00 179.01 179.27 2k77 n GLY 42 N 0.76 1.63 0.17 1.92 0.00 -0.39 -4.56 105.19 104.72 2k77 n GLY 42 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.97 2k77 n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k77 n GLU 43 N -0.88 2.28 -1.03 1.61 1.02 -1.26 -4.12 120.64 118.26 2k77 n GLU 43 Ca 0.00 -0.52 -0.31 0.00 -0.02 0.00 0.00 57.16 56.31 2k77 n GLU 43 Cb 0.00 -1.01 0.12 0.00 -0.02 0.00 0.00 31.44 30.54 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 -1.16 1.75 0.19 0.62 0.00 -1.26 -4.77 107.32 102.69 2k77 s GLY 44 Ca 0.06 0.48 -0.12 0.00 0.00 0.00 0.00 44.72 45.14 2k77 s GLY 44 CO 0.20 0.86 1.78 -2.22 0.00 0.00 0.00 173.10 173.72 2k77 h ILE 45 N -1.36 0.93 -0.46 0.90 1.08 -1.95 -0.09 117.51 116.56 2k77 h ILE 45 Ca -0.44 -0.18 -0.05 0.00 -0.39 0.00 0.00 64.86 63.80 2k77 h ILE 45 Cb 1.25 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 35.36 2k77 h ILE 45 CO 0.47 0.09 0.08 0.00 -0.69 0.00 0.00 178.15 178.10 2k77 h ALA 46 N 1.30 0.60 -0.54 1.87 0.00 -1.91 -0.10 119.26 120.49 2k77 h ALA 46 Ca 0.25 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2k77 h ALA 46 Cb 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2k77 h ALA 46 CO -0.18 0.32 0.01 0.00 0.00 0.00 0.00 179.25 179.40 2k77 h ALA 47 N 0.96 1.01 -0.03 0.00 0.00 -1.69 -0.37 119.26 119.13 2k77 h ALA 47 Ca 0.14 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2k77 h ALA 47 Cb 0.37 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2k77 h ALA 47 CO 0.01 0.61 -0.56 -0.22 0.00 0.00 0.00 179.25 179.10 2k77 h LYS 48 N 0.85 0.09 -0.50 0.00 3.64 -0.95 -1.79 116.57 117.91 2k77 h LYS 48 Ca 0.16 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 2k77 h LYS 48 Cb 0.48 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2k77 h LYS 48 CO 0.02 0.62 -0.08 0.00 -2.27 0.00 0.00 179.45 177.74 2k77 h ALA 49 N 1.36 0.68 -0.21 5.00 0.00 -0.59 0.17 119.26 125.68 2k77 h ALA 49 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2k77 h ALA 49 Cb 1.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2k77 h ALA 49 CO 0.08 0.56 0.14 -0.07 0.00 0.00 0.00 179.25 179.96 2k77 h LEU 50 N 0.79 0.24 -1.15 0.00 3.38 -0.93 -2.23 115.31 115.40 2k77 h LEU 50 Ca 0.13 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 2k77 h LEU 50 Cb 0.63 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2k77 h LEU 50 CO 0.04 0.17 -0.11 1.56 0.09 0.00 0.00 178.44 180.19 2k77 h GLN 51 N 0.28 0.46 -0.17 1.13 4.20 -1.26 -2.33 115.11 117.43 2k77 h GLN 51 Ca 0.08 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 2k77 h GLN 51 Cb -0.03 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 2k77 h GLN 51 CO -0.02 0.58 -0.14 0.00 -0.67 0.00 0.00 178.83 178.58 2k77 h ALA 52 N 1.46 1.47 0.00 3.87 0.00 -0.73 -1.54 119.26 123.78 2k77 h ALA 52 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k77 h ALA 52 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2k77 h ALA 52 CO 0.03 0.38 0.00 1.28 0.00 0.00 0.00 179.25 180.93 2k77 n LEU 53 N -4.26 0.00 0.00 0.00 4.77 -0.86 -4.88 117.00 111.78 2k77 n LEU 53 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 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 0.38 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2k77 n GLY 54 N 0.36 0.73 2.93 -0.72 0.00 -0.58 -5.01 105.19 102.90 2k77 n GLY 54 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.59 0.99 4.77 -0.91 -4.99 117.00 113.27 2k77 n LEU 55 Ca 0.00 -1.14 -0.06 0.00 -0.03 0.00 0.00 56.01 54.78 2k77 n LEU 55 Cb 0.00 -0.75 -0.02 0.00 -2.33 0.00 0.00 43.42 40.32 2k77 n LEU 55 CO 0.00 -1.20 0.75 -0.83 -1.33 0.00 0.00 177.39 174.78 2k77 s GLY 56 N -5.15 -0.38 0.22 -0.72 0.00 -1.26 -4.32 107.32 95.71 2k77 s GLY 56 Ca 0.57 0.80 -0.08 0.00 0.00 0.00 0.00 44.72 46.01 2k77 s GLY 56 CO 0.40 0.25 1.87 1.48 0.00 0.00 0.00 173.10 177.09 2k77 h SER 57 N 2.00 0.86 -0.41 1.64 4.64 -1.98 -1.76 113.55 118.54 2k77 h SER 57 Ca -0.22 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.05 2k77 h SER 57 Cb 1.23 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 2k77 h SER 57 CO 0.28 0.59 0.10 -0.08 -0.87 0.00 0.00 176.83 176.85 2k77 h GLU 58 N 1.01 0.66 -0.27 4.77 4.81 -1.97 -0.26 114.58 123.33 2k77 h GLU 58 Ca 0.32 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2k77 h GLU 58 Cb -0.00 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2k77 h GLU 58 CO -0.11 0.68 0.14 0.87 -0.73 0.00 0.00 179.01 179.86 2k77 h LYS 59 N 0.52 0.39 -0.30 1.92 1.57 -1.87 -0.52 116.57 118.28 2k77 h LYS 59 Ca 0.13 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.74 2k77 h LYS 59 Cb 0.32 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2k77 h LYS 59 CO 0.00 0.36 -0.27 0.82 -0.57 0.00 0.00 179.45 179.79 2k77 h ILE 60 N 0.31 1.30 -0.62 1.86 2.04 -1.33 -2.69 117.51 118.38 2k77 h ILE 60 Ca 0.09 -1.43 -0.02 0.00 1.00 0.00 0.00 64.86 64.50 2k77 h ILE 60 Cb 0.10 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 2k77 h ILE 60 CO -0.01 0.46 0.31 -0.61 0.00 0.00 0.00 178.15 178.30 2k77 h GLN 61 N 0.46 0.88 -0.43 2.37 4.15 -0.90 0.03 115.11 121.67 2k77 h GLN 61 Ca 0.05 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 2k77 h GLN 61 Cb 0.84 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.34 2k77 h GLN 61 CO 0.07 0.70 0.24 0.87 -1.93 0.00 0.00 178.83 178.77 2k77 h LYS 62 N 0.85 0.61 -0.44 1.69 1.57 -1.10 -0.58 116.57 119.16 2k77 h LYS 62 Ca 0.21 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.79 2k77 h LYS 62 Cb 0.09 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2k77 h LYS 62 CO -0.03 0.48 -0.23 0.93 -0.57 0.00 0.00 179.45 180.03 2k77 h GLU 63 N 0.57 0.93 0.89 3.15 4.39 -1.27 -1.78 114.58 121.45 2k77 h GLU 63 Ca 0.15 -0.42 -0.04 0.00 0.34 0.00 0.00 59.36 59.39 2k77 h GLU 63 Cb 0.05 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.69 2k77 h GLU 63 CO -0.02 1.08 -0.43 0.28 -1.16 0.00 0.00 179.01 178.75 2k77 h VAL 64 N 0.77 0.12 0.00 3.13 2.07 -0.89 -2.87 116.25 118.58 2k77 h VAL 64 Ca 0.09 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 2k77 h VAL 64 Cb 0.81 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2k77 h VAL 64 CO 0.07 0.00 -0.38 -0.33 0.02 0.00 0.00 177.57 176.95 2k77 h GLU 65 N -1.20 0.00 -0.25 1.57 5.08 -1.15 -1.49 114.58 117.15 2k77 h GLU 65 Ca -0.12 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 2k77 h GLU 65 Cb 0.92 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2k77 h GLU 65 CO 0.20 0.38 -0.17 1.03 -1.00 0.00 0.00 179.01 179.45 2k77 h SER 66 N 0.00 0.42 0.47 1.42 0.87 -1.37 -1.19 113.55 114.17 2k77 h SER 66 Ca -0.00 -0.11 -0.30 0.00 -1.23 0.00 0.00 61.79 60.14 2k77 h SER 66 Cb 0.75 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.60 2k77 h SER 66 CO 0.05 0.61 -1.41 -0.07 -0.53 0.00 0.00 176.83 175.47 2k77 h LEU 67 N 0.39 0.53 0.00 2.23 3.38 -1.12 -3.40 115.31 117.32 2k77 h LEU 67 Ca 0.07 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2k77 h LEU 67 Cb 0.52 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2k77 h LEU 67 CO 0.03 1.50 -1.44 2.30 0.09 0.00 0.00 178.44 180.92 2k77 n ILE 68 N -3.56 0.00 -4.58 1.22 -5.35 -0.64 -5.12 119.36 101.34 2k77 n ILE 68 Ca -0.14 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 2k77 n ILE 68 Cb 1.05 0.37 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 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 1.56 -0.41 3.33 3.28 0.00 -0.45 -5.02 105.19 107.48 2k77 n GLY 69 Ca -0.01 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 2k77 n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k77 s ARG 70 N 0.00 1.13 -0.25 1.61 0.52 -1.26 -4.92 118.95 115.78 2k77 s ARG 70 Ca 0.00 -1.14 -0.00 0.00 -0.52 0.00 0.00 55.73 54.06 2k77 s ARG 70 Cb 0.00 0.38 0.00 0.00 0.52 0.00 0.00 34.95 35.85 2k77 s ARG 70 CO 0.00 -0.41 0.03 0.41 0.02 0.00 0.00 175.30 175.35 2k77 n GLY 71 N -0.20 0.34 0.21 -3.53 0.00 -0.05 -4.98 105.19 96.97 2k77 n GLY 71 Ca -0.08 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 2k77 n GLY 71 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2k77 h GLN 72 N -0.07 0.66 -6.49 1.61 7.50 -1.57 -3.48 115.11 113.27 2k77 h GLN 72 Ca -0.07 -0.21 -0.42 0.00 0.50 0.00 0.00 58.65 58.44 2k77 h GLN 72 Cb 1.05 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.52 2k77 h GLN 72 CO 0.08 0.76 -0.97 -1.91 -1.50 0.00 0.00 178.83 175.29 2k77 n GLU 73 N -4.48 -1.36 0.00 1.46 2.13 0.09 -4.92 120.64 113.56 2k77 n GLU 73 Ca -0.01 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.49 2k77 n GLU 73 Cb 0.28 -1.89 0.00 0.00 0.27 0.00 0.00 31.44 30.09 2k77 n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k77 n MET 74 N -2.19 -0.02 -4.12 5.31 0.00 -1.26 -5.12 117.12 109.73 2k77 n MET 74 Ca -0.27 -0.08 -0.14 0.00 0.00 0.00 0.00 57.70 57.22 2k77 n MET 74 Cb 0.60 -0.53 -0.06 0.00 0.00 0.00 0.00 33.22 33.23 2k77 n MET 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2k77 s SER 75 N -0.02 0.67 0.01 3.17 0.15 -1.26 -5.16 113.70 111.26 2k77 s SER 75 Ca 0.00 -1.39 0.02 0.00 0.70 0.00 0.00 55.95 55.27 2k77 s SER 75 Cb 0.00 0.58 -0.01 0.00 -1.71 0.00 0.00 66.02 64.88 2k77 s SER 75 CO 0.00 -1.15 -0.05 -1.10 1.20 0.00 0.00 173.24 172.13 2k77 s GLN 76 N -3.50 0.40 0.33 5.44 -1.52 -1.26 -4.89 119.66 114.66 2k77 s GLN 76 Ca 0.32 -0.33 0.00 0.00 -1.95 0.00 0.00 55.36 53.40 2k77 s GLN 76 Cb 0.01 -0.32 0.00 0.00 -0.22 0.00 0.00 33.01 32.49 2k77 s GLN 76 CO 0.17 0.08 0.00 2.41 -0.25 0.00 0.00 175.29 177.70 2k77 n THR 77 N 2.53 -4.88 -2.36 -0.19 -1.04 -1.26 -5.00 114.28 102.08 2k77 n THR 77 Ca -0.16 2.16 -0.35 0.00 -2.04 0.00 0.00 64.05 63.67 2k77 n THR 77 Cb 0.57 -3.00 -0.01 0.00 -1.82 0.00 0.00 70.33 66.07 2k77 n THR 77 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2k77 s ILE 78 N -1.95 3.40 0.05 12.58 1.09 -1.26 -4.92 121.20 130.19 2k77 s ILE 78 Ca 0.00 0.87 0.02 0.00 -1.10 0.00 0.00 60.65 60.43 2k77 s ILE 78 Cb 0.00 -3.35 -0.03 0.00 -1.06 0.00 0.00 42.46 38.02 2k77 s ILE 78 CO 0.00 -0.19 -0.07 -2.28 -0.10 0.00 0.00 174.94 172.30 2k77 s HIS 79 N -1.86 0.70 -0.07 3.97 5.65 -1.24 -5.01 115.29 117.43 2k77 s HIS 79 Ca 0.71 -0.62 -0.17 0.00 0.25 0.00 0.00 55.06 55.23 2k77 s HIS 79 Cb -0.21 -0.42 -0.05 0.00 -1.18 0.00 0.00 32.58 30.72 2k77 s HIS 79 CO 0.25 -0.11 0.44 0.71 -0.65 0.00 0.00 174.74 175.37 2k77 s TYR 80 N -2.00 3.61 0.90 3.88 1.51 -1.26 -0.82 117.35 123.16 2k77 s TYR 80 Ca -0.05 0.92 -0.11 0.00 -1.01 0.00 0.00 57.07 56.83 2k77 s TYR 80 Cb -0.06 -2.43 0.13 0.00 -0.11 0.00 0.00 41.96 39.49 2k77 s TYR 80 CO -0.01 0.38 1.10 0.95 -1.11 0.00 0.00 175.55 176.85 2k77 s THR 81 N -0.13 2.61 0.39 -0.71 -4.23 -0.59 -4.73 115.64 108.26 2k77 s THR 81 Ca 0.24 0.20 0.10 0.00 -1.18 0.00 0.00 61.69 61.06 2k77 s THR 81 Cb -0.16 -2.52 0.32 0.00 1.34 0.00 0.00 72.50 71.49 2k77 s THR 81 CO 0.11 -0.26 1.93 -0.65 -0.54 0.00 0.00 174.62 175.22 2k77 h PRO 82 N -1.65 0.57 -0.40 3.99 0.11 -1.99 0.11 132.00 132.74 2k77 h PRO 82 Ca -0.48 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 2k77 h PRO 82 Cb 1.27 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2k77 h PRO 82 CO 0.50 0.38 -0.10 0.00 -0.21 0.00 0.00 178.00 178.56 2k77 h ARG 83 N 0.59 0.78 -0.40 1.05 3.08 -1.95 -0.92 114.38 116.60 2k77 h ARG 83 Ca 0.35 -0.30 -0.15 0.00 0.07 0.00 0.00 59.98 59.94 2k77 h ARG 83 Cb 0.55 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2k77 h ARG 83 CO -0.12 0.91 -0.35 0.00 -1.07 0.00 0.00 179.97 179.33 2k77 h ALA 84 N 0.84 0.60 -0.67 0.04 0.00 -1.65 -0.94 119.26 117.48 2k77 h ALA 84 Ca 0.10 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2k77 h ALA 84 Cb 0.63 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2k77 h ALA 84 CO 0.04 0.68 0.37 -0.22 0.00 0.00 0.00 179.25 180.12 2k77 h LYS 85 N 0.78 0.94 -0.71 0.00 1.63 -0.79 0.23 116.57 118.65 2k77 h LYS 85 Ca 0.07 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2k77 h LYS 85 Cb 0.94 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 32.36 2k77 h LYS 85 CO 0.09 0.70 0.45 0.87 -3.45 0.00 0.00 179.45 178.11 2k77 h LYS 86 N 0.92 0.95 -0.59 1.90 1.57 -1.07 -0.91 116.57 119.34 2k77 h LYS 86 Ca 0.24 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2k77 h LYS 86 Cb 0.03 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 2k77 h LYS 86 CO -0.04 0.66 0.39 0.28 -0.57 0.00 0.00 179.45 180.17 2k77 h VAL 87 N 0.97 1.14 -0.39 0.50 2.07 -0.68 0.55 116.25 120.41 2k77 h VAL 87 Ca 0.26 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 2k77 h VAL 87 Cb -0.06 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 2k77 h VAL 87 CO -0.05 0.14 0.24 0.40 0.02 0.00 0.00 177.57 178.32 2k77 h ILE 88 N 0.78 1.12 -0.62 4.57 1.08 -0.56 0.23 117.51 124.11 2k77 h ILE 88 Ca 0.22 -0.27 -0.09 0.00 -0.39 0.00 0.00 64.86 64.33 2k77 h ILE 88 Cb -0.07 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 34.25 2k77 h ILE 88 CO -0.06 0.12 0.04 -0.33 -0.69 0.00 0.00 178.15 177.24 2k77 h GLU 89 N 0.51 1.06 -0.03 2.37 5.08 -1.00 -2.38 114.58 120.19 2k77 h GLU 89 Ca 0.14 -0.31 -0.13 0.00 -1.00 0.00 0.00 59.36 58.06 2k77 h GLU 89 Cb -0.01 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2k77 h GLU 89 CO -0.03 1.01 -0.58 -0.07 -1.00 0.00 0.00 179.01 178.34 2k77 h LEU 90 N 0.98 0.11 -0.80 1.33 3.38 -0.65 -1.04 115.31 118.61 2k77 h LEU 90 Ca 0.18 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 2k77 h LEU 90 Cb 0.51 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2k77 h LEU 90 CO 0.02 0.67 0.16 0.28 0.09 0.00 0.00 178.44 179.66 2k77 h SER 91 N 0.07 1.00 -0.44 -0.43 0.02 -0.38 0.67 113.55 114.07 2k77 h SER 91 Ca -0.00 -0.21 -0.11 0.00 -0.84 0.00 0.00 61.79 60.63 2k77 h SER 91 Cb 1.05 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 2k77 h SER 91 CO 0.08 0.96 -0.15 -0.03 -1.14 0.00 0.00 176.83 176.55 2k77 h MET 92 N 1.01 0.88 -0.64 3.45 -1.53 -1.26 -1.04 114.93 115.80 2k77 h MET 92 Ca 0.21 -0.36 -0.09 0.00 -3.44 0.00 0.00 59.70 56.02 2k77 h MET 92 Cb 0.36 -0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.35 2k77 h MET 92 CO 0.00 1.00 0.05 0.22 0.14 0.00 0.00 176.91 178.33 2k77 h ASP 93 N 0.71 1.06 0.53 1.39 3.58 -0.96 -2.21 116.42 120.52 2k77 h ASP 93 Ca 0.11 -0.28 -0.17 0.00 0.42 0.00 0.00 57.03 57.10 2k77 h ASP 93 Cb 0.71 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 2k77 h ASP 93 CO 0.05 1.08 -0.76 -0.33 -2.88 0.00 0.00 179.24 176.41 2k77 h GLU 94 N 1.01 0.18 -0.73 0.28 4.39 -0.85 -1.52 114.58 117.34 2k77 h GLU 94 Ca 0.19 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 2k77 h GLU 94 Cb 0.51 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 2k77 h GLU 94 CO 0.02 0.86 0.44 0.00 -1.16 0.00 0.00 179.01 179.17 2k77 h ALA 95 N 1.09 0.93 -0.72 3.43 0.00 -1.10 -2.33 119.26 120.56 2k77 h ALA 95 Ca -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2k77 h ALA 95 Cb 1.33 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2k77 h ALA 95 CO 0.11 0.40 0.35 -0.09 0.00 0.00 0.00 179.25 180.02 2k77 h ARG 96 N 1.00 1.02 -0.47 0.00 2.43 -1.24 -0.85 114.38 116.26 2k77 h ARG 96 Ca 0.26 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2k77 h ARG 96 Cb -0.04 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 2k77 h ARG 96 CO -0.05 0.78 0.25 -0.22 -1.51 0.00 0.00 179.97 179.22 2k77 h LYS 97 N 1.02 0.64 -0.26 0.20 1.63 -0.75 -1.14 116.57 117.91 2k77 h LYS 97 Ca 0.25 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 2k77 h LYS 97 Cb 0.10 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 2k77 h LYS 97 CO -0.03 0.48 0.00 1.28 -3.45 0.00 0.00 179.45 177.73 2k77 n LEU 98 N -4.41 2.34 -0.26 5.20 7.99 -1.00 -4.98 117.00 121.89 2k77 n LEU 98 Ca 0.04 -1.00 -0.03 0.00 -0.01 0.00 0.00 56.01 55.00 2k77 n LEU 98 Cb 0.10 -0.17 -0.01 0.00 -0.11 0.00 0.00 43.42 43.23 2k77 n LEU 98 CO 0.37 0.50 -0.03 0.61 -1.51 0.00 0.00 177.39 177.32 2k77 n GLY 99 N 1.26 0.64 3.81 -0.72 0.00 -0.43 -5.04 105.19 104.71 2k77 n GLY 99 Ca 0.17 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 2k77 n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k77 s HIS 100 N -2.10 3.52 -1.67 1.61 3.76 -0.36 -4.99 115.29 115.07 2k77 s HIS 100 Ca 0.00 1.61 0.14 0.00 -0.15 0.00 0.00 55.06 56.66 2k77 s HIS 100 Cb 0.00 -2.82 0.46 0.00 1.11 0.00 0.00 32.58 31.34 2k77 s HIS 100 CO 0.00 0.10 1.36 -1.13 -0.85 0.00 0.00 174.74 174.22 2k77 n SER 101 N 0.07 2.98 -3.56 1.40 3.41 -1.26 -4.19 113.62 112.47 2k77 n SER 101 Ca 0.03 -2.14 -0.14 0.00 -0.26 0.00 0.00 58.87 56.37 2k77 n SER 101 Cb 0.52 -0.40 -0.05 0.00 -0.26 0.00 0.00 64.21 64.02 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 -1.52 -0.44 -0.39 7.33 -0.85 -1.26 -4.60 117.35 115.62 2k77 s TYR 102 Ca 0.34 0.48 -0.20 0.00 -0.52 0.00 0.00 57.07 57.17 2k77 s TYR 102 Cb 0.20 0.37 0.01 0.00 0.38 0.00 0.00 41.96 42.91 2k77 s TYR 102 CO 0.20 -0.66 0.61 0.08 -1.52 0.00 0.00 175.55 174.25 2k77 s VAL 103 N -2.54 4.90 0.82 -3.49 1.01 0.17 -4.87 120.40 116.39 2k77 s VAL 103 Ca -0.05 0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 2k77 s VAL 103 Cb -0.01 -4.10 0.15 0.00 0.00 0.00 0.00 36.38 32.42 2k77 s VAL 103 CO -0.02 -0.40 1.14 -0.83 0.00 0.00 0.00 175.10 174.98 2k77 s GLY 104 N 1.87 1.76 0.26 4.51 0.00 -1.26 -1.04 107.32 113.41 2k77 s GLY 104 Ca 0.22 -1.36 -0.04 0.00 0.00 0.00 0.00 44.72 43.54 2k77 s GLY 104 CO 0.16 -0.74 1.88 -0.91 0.00 0.00 0.00 173.10 173.49 2k77 h THR 105 N -1.01 1.11 -0.45 0.90 1.35 -1.92 -0.52 112.91 112.37 2k77 h THR 105 Ca -0.41 -0.40 0.09 0.00 -0.55 0.00 0.00 66.41 65.14 2k77 h THR 105 Cb 1.26 -0.16 -0.09 0.00 -1.73 0.00 0.00 68.15 67.43 2k77 h THR 105 CO 0.43 0.21 -0.21 1.05 -0.25 0.00 0.00 175.52 176.75 2k77 h GLU 106 N 1.17 -0.11 0.00 4.72 9.09 -1.94 -1.43 114.58 126.07 2k77 h GLU 106 Ca 0.40 0.01 -0.13 0.00 0.05 0.00 0.00 59.36 59.69 2k77 h GLU 106 Cb 0.10 0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.20 2k77 h GLU 106 CO -0.15 -0.08 -0.64 0.45 0.05 0.00 0.00 179.01 178.64 2k77 h HIS 107 N -0.12 0.00 -0.25 2.06 3.86 -1.71 -1.59 115.15 117.41 2k77 h HIS 107 Ca 0.21 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.43 2k77 h HIS 107 Cb 0.45 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 2k77 h HIS 107 CO -0.47 0.64 0.15 0.82 0.86 0.00 0.00 177.93 179.93 2k77 h ILE 108 N 0.00 1.03 -0.57 2.45 2.04 -0.72 -0.60 117.51 121.15 2k77 h ILE 108 Ca -0.01 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 2k77 h ILE 108 Cb 1.21 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 2k77 h ILE 108 CO 0.08 0.06 0.23 0.25 0.00 0.00 0.00 178.15 178.77 2k77 h LEU 109 N 0.31 0.79 -1.21 1.44 5.85 -1.02 -1.11 115.31 120.37 2k77 h LEU 109 Ca 0.10 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.73 2k77 h LEU 109 Cb -0.01 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.76 2k77 h LEU 109 CO -0.04 0.74 0.57 -0.07 -0.34 0.00 0.00 178.44 179.29 2k77 h LEU 110 N 0.79 0.82 -0.62 2.25 3.38 -1.08 -1.55 115.31 119.30 2k77 h LEU 110 Ca 0.19 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 2k77 h LEU 110 Cb 0.19 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2k77 h LEU 110 CO -0.02 0.50 0.22 1.23 0.09 0.00 0.00 178.44 180.47 2k77 h GLY 111 N 0.92 1.01 0.95 0.83 0.00 -0.51 -1.05 103.07 105.22 2k77 h GLY 111 Ca 0.39 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2k77 h GLY 111 CO -0.16 0.54 0.18 1.41 0.00 0.00 0.00 176.54 178.51 2k77 h LEU 112 N 0.87 0.48 -0.57 3.11 3.38 -0.29 -1.58 115.31 120.72 2k77 h LEU 112 Ca 0.20 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 2k77 h LEU 112 Cb 0.25 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2k77 h LEU 112 CO -0.01 0.47 -0.61 0.16 0.09 0.00 0.00 178.44 178.54 2k77 h ILE 113 N 0.46 1.36 -0.13 1.22 3.07 -1.34 -3.24 117.51 118.90 2k77 h ILE 113 Ca 0.13 -1.94 -0.09 0.00 1.55 0.00 0.00 64.86 64.51 2k77 h ILE 113 Cb 0.12 1.94 -0.01 0.00 -0.27 0.00 0.00 36.82 38.59 2k77 h ILE 113 CO -0.02 0.58 -0.32 -0.09 -1.05 0.00 0.00 178.15 177.26 2k77 h ARG 114 N 0.28 0.25 -0.71 0.16 9.65 -1.02 -2.98 114.38 120.02 2k77 h ARG 114 Ca -0.01 -0.10 -0.04 0.00 -1.10 0.00 0.00 59.98 58.73 2k77 h ARG 114 Cb 1.13 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.67 2k77 h ARG 114 CO 0.10 0.55 0.27 1.49 2.80 0.00 0.00 179.97 185.18 2k77 h GLU 115 N 0.22 1.08 0.00 0.20 4.57 -1.32 -3.47 114.58 115.86 2k77 h GLU 115 Ca 0.03 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 2k77 h GLU 115 Cb 0.68 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 2k77 h GLU 115 CO 0.05 0.90 0.00 0.41 -1.18 0.00 0.00 179.01 179.19 2k77 n GLY 116 N -0.83 1.28 0.06 1.92 0.00 -1.13 -4.51 105.19 101.98 2k77 n GLY 116 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.30 0.75 -1.23 1.61 4.07 -1.26 -4.67 120.64 119.61 2k77 n GLU 117 Ca 0.00 -0.09 -0.32 0.00 -0.06 0.00 0.00 57.16 56.69 2k77 n GLU 117 Cb 0.00 -1.50 0.10 0.00 -0.06 0.00 0.00 31.44 29.99 2k77 n GLU 117 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2k77 s GLY 118 N -4.94 1.88 0.36 8.31 0.00 -1.26 -4.85 107.32 106.81 2k77 s GLY 118 Ca -0.09 0.51 0.11 0.00 0.00 0.00 0.00 44.72 45.25 2k77 s GLY 118 CO 0.83 0.88 1.84 -2.08 0.00 0.00 0.00 173.10 174.57 2k77 h VAL 119 N -0.98 0.75 -0.64 1.40 2.07 -1.94 -1.84 116.25 115.07 2k77 h VAL 119 Ca -0.45 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 66.93 2k77 h VAL 119 Cb 1.25 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 2k77 h VAL 119 CO 0.49 0.11 0.32 0.00 0.02 0.00 0.00 177.57 178.52 2k77 h ALA 120 N 1.61 0.86 -0.40 1.67 0.00 -1.92 0.42 119.26 121.50 2k77 h ALA 120 Ca 0.49 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.35 2k77 h ALA 120 Cb 0.92 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2k77 h ALA 120 CO -0.24 -0.04 -0.10 0.00 0.00 0.00 0.00 179.25 178.88 2k77 h ALA 121 N 1.37 1.09 -0.26 0.00 0.00 -1.53 -2.27 119.26 117.66 2k77 h ALA 121 Ca 0.30 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2k77 h ALA 121 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2k77 h ALA 121 CO -0.22 0.57 0.03 0.00 0.00 0.00 0.00 179.25 179.63 2k77 h ARG 122 N 0.63 0.44 -0.16 0.00 3.08 -1.18 -2.06 114.38 115.13 2k77 h ARG 122 Ca 0.11 -0.12 0.04 0.00 0.07 0.00 0.00 59.98 60.08 2k77 h ARG 122 Cb 0.54 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 2k77 h ARG 122 CO 0.03 0.57 -0.08 0.28 -1.07 0.00 0.00 179.97 179.70 2k77 h VAL 123 N 0.25 0.74 -0.61 2.04 2.07 -0.86 0.31 116.25 120.19 2k77 h VAL 123 Ca 0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 2k77 h VAL 123 Cb 0.35 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2k77 h VAL 123 CO 0.01 0.00 0.37 -0.07 0.02 0.00 0.00 177.57 177.90 2k77 h LEU 124 N -0.06 0.73 -0.89 2.57 3.38 -1.37 -1.72 115.31 117.94 2k77 h LEU 124 Ca 0.09 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 2k77 h LEU 124 Cb 0.20 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2k77 h LEU 124 CO -0.20 0.57 -0.42 0.78 0.09 0.00 0.00 178.44 179.26 2k77 h ASN 125 N 0.83 0.30 -0.57 -0.43 2.35 -1.05 0.72 115.58 117.73 2k77 h ASN 125 Ca 0.22 -0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.74 2k77 h ASN 125 Cb -0.03 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2k77 h ASN 125 CO -0.04 0.69 -0.03 0.78 -1.65 0.00 0.00 177.43 177.18 2k77 h ASN 126 N 0.24 1.02 0.52 5.81 2.35 -0.65 -3.16 115.58 121.71 2k77 h ASN 126 Ca 0.02 -0.30 -0.19 0.00 -0.55 0.00 0.00 56.30 55.29 2k77 h ASN 126 Cb 0.84 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 2k77 h ASN 126 CO 0.07 1.08 -0.81 -0.07 -1.65 0.00 0.00 177.43 176.05 2k77 h LEU 127 N 0.94 0.27 0.00 1.61 3.38 -1.11 -3.48 115.31 116.92 2k77 h LEU 127 Ca 0.16 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2k77 h LEU 127 Cb 0.58 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2k77 h LEU 127 CO 0.03 0.97 0.00 0.61 0.09 0.00 0.00 178.44 180.14 2k77 n GLY 128 N 0.72 0.18 3.80 0.83 0.00 -0.15 -5.09 105.19 105.48 2k77 n GLY 128 Ca -0.03 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 -1.12 4.58 0.47 1.61 1.01 0.06 -4.94 120.40 122.07 2k77 s VAL 129 Ca 0.00 1.43 0.06 0.00 0.00 0.00 0.00 61.98 63.47 2k77 s VAL 129 Cb 0.00 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 2k77 s VAL 129 CO 0.00 0.54 0.25 -0.94 0.00 0.00 0.00 175.10 174.94 2k77 s SER 130 N -1.14 4.51 0.26 3.32 1.04 -1.26 -3.01 113.70 117.42 2k77 s SER 130 Ca 0.32 -1.17 -0.02 0.00 0.48 0.00 0.00 55.95 55.57 2k77 s SER 130 Cb -0.21 -0.09 0.55 0.00 0.10 0.00 0.00 66.02 66.37 2k77 s SER 130 CO 0.22 -0.76 1.71 0.25 0.98 0.00 0.00 173.24 175.64 2k77 h LEU 131 N 1.17 0.25 0.10 2.42 6.46 -1.98 -1.74 115.31 121.98 2k77 h LEU 131 Ca -0.41 0.13 -0.28 0.00 -0.12 0.00 0.00 57.88 57.20 2k77 h LEU 131 Cb 1.28 0.12 0.01 0.00 -0.73 0.00 0.00 40.66 41.34 2k77 h LEU 131 CO 0.65 0.05 -1.23 0.78 -0.62 0.00 0.00 178.44 178.07 2k77 h ASN 132 N 0.40 0.52 -0.18 1.25 2.35 -1.98 -1.72 115.58 116.22 2k77 h ASN 132 Ca 0.46 -0.53 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 2k77 h ASN 132 Cb 0.79 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 2k77 h ASN 132 CO -0.47 1.40 -0.05 0.11 -1.65 0.00 0.00 177.43 176.77 2k77 h LYS 133 N 0.12 0.35 -0.39 0.81 6.56 -1.90 -1.52 116.57 120.59 2k77 h LYS 133 Ca -0.15 -0.14 -0.03 0.00 -1.06 0.00 0.00 60.65 59.28 2k77 h LYS 133 Cb 1.94 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 33.56 2k77 h LYS 133 CO 0.21 0.62 0.12 0.00 -2.06 0.00 0.00 179.45 178.33 2k77 h ALA 134 N 0.72 0.51 -0.03 3.86 0.00 -1.42 -2.68 119.26 120.22 2k77 h ALA 134 Ca 0.05 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.81 2k77 h ALA 134 Cb 0.49 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2k77 h ALA 134 CO 0.02 0.16 -0.13 0.00 0.00 0.00 0.00 179.25 179.30 2k77 h ARG 135 N 0.49 -0.20 -0.85 0.00 3.08 -1.29 -0.85 114.38 114.76 2k77 h ARG 135 Ca 0.13 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 2k77 h ARG 135 Cb 0.27 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 2k77 h ARG 135 CO -0.00 -0.13 0.46 1.96 -1.07 0.00 0.00 179.97 181.18 2k77 h GLN 136 N -0.21 1.19 -0.24 0.04 4.20 -1.23 0.76 115.11 119.61 2k77 h GLN 136 Ca 0.06 -0.14 -0.18 0.00 0.06 0.00 0.00 58.65 58.44 2k77 h GLN 136 Cb 0.28 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2k77 h GLN 136 CO -0.16 0.87 -0.57 1.96 -0.67 0.00 0.00 178.83 180.27 2k77 h GLN 137 N 1.18 0.81 -0.31 1.46 1.08 -1.35 -2.12 115.11 115.86 2k77 h GLN 137 Ca 0.30 -0.55 -0.06 0.00 -1.45 0.00 0.00 58.65 56.89 2k77 h GLN 137 Cb 0.04 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 2k77 h GLN 137 CO -0.05 1.18 -0.03 0.28 -0.95 0.00 0.00 178.83 179.26 2k77 h VAL 138 N 0.57 1.27 0.00 -0.54 2.07 -0.90 -0.35 116.25 118.37 2k77 h VAL 138 Ca -0.00 -1.01 -0.07 0.00 0.82 0.00 0.00 66.70 66.43 2k77 h VAL 138 Cb 1.18 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 2k77 h VAL 138 CO 0.12 0.33 -0.35 -0.07 0.02 0.00 0.00 177.57 177.62 2k77 h LEU 139 N 0.35 0.00 0.01 2.57 3.38 -0.91 -1.43 115.31 119.28 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 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2k77 h LEU 139 CO 0.02 0.35 -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 -1.33 -3.39 115.11 115.71 2k77 h GLN 140 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k77 h GLN 140 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 2k77 h GLN 140 CO 0.05 0.73 0.00 1.25 -0.67 0.00 0.00 178.83 180.19 2k77 h LEU 141 N -0.80 0.00 0.00 1.46 5.85 -0.83 0.39 115.31 121.38 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 0.75 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2k77 h LEU 141 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 2k77 n LEU 142 N -3.08 0.00 0.00 2.25 -0.00 -0.56 -4.69 117.00 110.92 2k77 n LEU 142 Ca 0.02 0.46 0.00 0.00 -0.00 0.00 0.00 56.01 56.49 2k77 n LEU 142 Cb 0.39 -0.46 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 2k77 n LEU 142 CO 0.30 -0.31 0.00 0.61 -0.00 0.00 0.00 177.39 177.98 2k77 n GLY 143 N -0.52 0.16 0.23 1.47 0.00 -1.19 -5.04 105.19 100.31 2k77 n GLY 143 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 0.53 0.00 1.61 0.87 -1.55 -3.52 113.55 111.49 2k77 h SER 144 Ca 0.00 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2k77 h SER 144 Cb 0.00 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2k77 h SER 144 CO 0.00 0.81 0.00 0.59 -0.53 0.00 0.00 176.83 177.70