#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 2.77 0.12 2.12 0.00 -1.26 -5.00 119.30 118.05 2k77 s MET 2 Ca 0.00 1.43 -0.05 0.00 0.00 0.00 0.00 55.69 57.07 2k77 s MET 2 Cb 0.00 -1.94 -0.12 0.00 0.00 0.00 0.00 34.83 32.76 2k77 s MET 2 CO 0.00 -1.28 1.28 0.27 0.00 0.00 0.00 175.02 175.29 2k77 h PHE 3 N 0.06 0.64 0.00 3.16 -5.15 -1.97 -3.48 116.94 110.21 2k77 h PHE 3 Ca -0.47 -0.36 0.00 0.00 -0.20 0.00 0.00 57.97 56.94 2k77 h PHE 3 Cb 1.25 -0.07 0.00 0.00 0.22 0.00 0.00 35.95 37.35 2k77 h PHE 3 CO 0.54 1.19 0.00 0.41 -2.00 0.00 0.00 178.31 178.45 2k77 n GLY 4 N 1.01 1.13 3.80 6.09 0.00 -1.26 -4.98 105.19 110.98 2k77 n GLY 4 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.19 4.36 0.13 1.61 0.52 -1.26 -5.00 118.95 119.11 2k77 s ARG 5 Ca 0.00 0.97 0.10 0.00 -0.52 0.00 0.00 55.73 56.27 2k77 s ARG 5 Cb 0.00 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 2k77 s ARG 5 CO 0.00 0.46 -0.20 -0.06 0.02 0.00 0.00 175.30 175.52 2k77 s PHE 6 N -1.38 2.47 0.92 -0.53 0.40 -1.26 -0.62 117.98 117.98 2k77 s PHE 6 Ca 0.40 -0.29 -0.11 0.00 -0.60 0.00 0.00 56.93 56.33 2k77 s PHE 6 Cb -0.19 -1.31 0.14 0.00 0.51 0.00 0.00 43.02 42.17 2k77 s PHE 6 CO 0.23 0.39 1.10 0.95 0.70 0.00 0.00 175.22 178.58 2k77 s THR 7 N -1.17 2.52 0.44 0.64 -4.23 -0.31 -4.76 115.64 108.76 2k77 s THR 7 Ca 0.17 0.17 0.28 0.00 -1.18 0.00 0.00 61.69 61.13 2k77 s THR 7 Cb -0.10 -2.43 0.31 0.00 1.34 0.00 0.00 72.50 71.61 2k77 s THR 7 CO 0.09 -0.22 2.11 1.05 -0.54 0.00 0.00 174.62 177.11 2k77 h GLU 8 N -1.73 0.00 -0.18 3.99 -0.00 -1.99 0.09 114.58 114.75 2k77 h GLU 8 Ca -0.48 0.00 -0.16 0.00 -0.00 0.00 0.00 59.36 58.72 2k77 h GLU 8 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.03 2k77 h GLU 8 CO 0.49 0.09 -0.51 -0.09 -0.00 0.00 0.00 179.01 178.99 2k77 h ARG 9 N 0.00 0.67 -0.14 1.06 9.65 -1.96 -2.95 114.38 120.72 2k77 h ARG 9 Ca -0.00 -0.48 -0.18 0.00 -1.10 0.00 0.00 59.98 58.22 2k77 h ARG 9 Cb 0.28 0.08 0.01 0.00 -1.39 0.00 0.00 29.97 28.94 2k77 h ARG 9 CO 0.01 1.10 -0.63 0.00 2.80 0.00 0.00 179.97 183.25 2k77 h ALA 10 N 0.58 0.26 -0.47 2.80 0.00 -1.76 -2.95 119.26 117.72 2k77 h ALA 10 Ca -0.01 -0.55 0.04 0.00 0.00 0.00 0.00 54.91 54.39 2k77 h ALA 10 Cb 1.13 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2k77 h ALA 10 CO 0.11 0.53 0.31 1.96 0.00 0.00 0.00 179.25 182.17 2k77 h GLN 11 N 0.35 0.45 -0.44 0.00 4.20 -1.10 -1.91 115.11 116.65 2k77 h GLN 11 Ca -0.04 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.52 2k77 h GLN 11 Cb 1.27 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 2k77 h GLN 11 CO 0.13 0.30 -0.21 -0.22 -0.67 0.00 0.00 178.83 178.16 2k77 h LYS 12 N 0.46 0.88 -0.48 1.46 1.63 -1.38 -0.29 116.57 118.86 2k77 h LYS 12 Ca 0.20 -0.36 -0.08 0.00 -0.85 0.00 0.00 60.65 59.56 2k77 h LYS 12 Cb 0.20 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 2k77 h LYS 12 CO -0.05 1.01 -0.01 -0.39 -3.45 0.00 0.00 179.45 176.56 2k77 h VAL 13 N 0.77 1.24 -0.04 2.00 -1.51 -1.22 -0.67 116.25 116.83 2k77 h VAL 13 Ca 0.10 -1.02 -0.16 0.00 -1.23 0.00 0.00 66.70 64.39 2k77 h VAL 13 Cb 0.76 0.88 -0.01 0.00 -2.13 0.00 0.00 31.29 30.79 2k77 h VAL 13 CO 0.06 0.36 -0.71 -0.07 -1.23 0.00 0.00 177.57 175.98 2k77 h LEU 14 N 0.75 0.24 -0.44 4.19 3.38 -1.21 0.51 115.31 122.72 2k77 h LEU 14 Ca 0.14 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2k77 h LEU 14 Cb 0.47 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2k77 h LEU 14 CO 0.02 0.87 -0.10 0.00 0.09 0.00 0.00 178.44 179.33 2k77 h ALA 15 N 1.12 0.60 -0.04 1.53 0.00 -0.91 -3.01 119.26 118.55 2k77 h ALA 15 Ca -0.02 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 2k77 h ALA 15 Cb 1.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2k77 h ALA 15 CO 0.11 0.48 -0.40 -0.07 0.00 0.00 0.00 179.25 179.37 2k77 h LEU 16 N 0.67 0.08 -1.41 0.00 3.38 -0.99 -2.54 115.31 114.51 2k77 h LEU 16 Ca 0.11 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2k77 h LEU 16 Cb 0.63 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2k77 h LEU 16 CO 0.04 0.48 0.33 0.00 0.09 0.00 0.00 178.44 179.38 2k77 h ALA 17 N 1.53 1.56 -0.15 1.53 0.00 -0.81 0.65 119.26 123.57 2k77 h ALA 17 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2k77 h ALA 17 Cb 0.74 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k77 h ALA 17 CO 0.06 0.39 -0.06 0.37 0.00 0.00 0.00 179.25 180.00 2k77 h GLN 18 N 0.74 0.30 -0.56 0.00 4.15 -1.35 -1.22 115.11 117.17 2k77 h GLN 18 Ca 0.20 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 2k77 h GLN 18 Cb -0.03 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 2k77 h GLN 18 CO -0.04 0.62 0.25 0.93 -1.93 0.00 0.00 178.83 178.66 2k77 h GLU 19 N -0.02 0.80 -0.02 1.69 4.39 -1.05 -1.35 114.58 119.02 2k77 h GLU 19 Ca 0.03 -0.11 -0.24 0.00 0.34 0.00 0.00 59.36 59.39 2k77 h GLU 19 Cb 0.53 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2k77 h GLU 19 CO 0.02 0.64 -0.94 0.93 -1.16 0.00 0.00 179.01 178.49 2k77 h GLU 20 N 0.79 0.54 -0.21 2.33 4.39 -0.89 0.24 114.58 121.77 2k77 h GLU 20 Ca 0.19 -0.55 0.01 0.00 0.34 0.00 0.00 59.36 59.36 2k77 h GLU 20 Cb 0.12 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2k77 h GLU 20 CO -0.02 1.18 0.10 0.00 -1.16 0.00 0.00 179.01 179.11 2k77 h ALA 21 N 0.63 0.25 -0.47 3.43 0.00 -1.03 -1.96 119.26 120.11 2k77 h ALA 21 Ca -0.09 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2k77 h ALA 21 Cb 1.58 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 2k77 h ALA 21 CO 0.17 -0.32 -0.02 -0.07 0.00 0.00 0.00 179.25 179.02 2k77 h LEU 22 N 0.21 0.77 -0.73 0.00 3.38 -1.22 0.28 115.31 118.01 2k77 h LEU 22 Ca 0.09 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.90 2k77 h LEU 22 Cb 0.03 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 2k77 h LEU 22 CO -0.07 0.85 0.45 -0.09 0.09 0.00 0.00 178.44 179.68 2k77 h ARG 23 N 0.74 0.83 -0.02 1.13 2.43 -0.79 -2.54 114.38 116.17 2k77 h ARG 23 Ca 0.14 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2k77 h ARG 23 Cb 0.48 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2k77 h ARG 23 CO 0.02 0.55 0.00 1.28 -1.51 0.00 0.00 179.97 180.31 2k77 n LEU 24 N -4.67 0.87 -0.69 3.80 4.77 -0.75 -4.94 117.00 115.39 2k77 n LEU 24 Ca 0.09 -0.30 -0.09 0.00 -0.03 0.00 0.00 56.01 55.68 2k77 n LEU 24 Cb 0.12 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 2k77 n LEU 24 CO 0.32 0.15 -0.09 0.61 -1.33 0.00 0.00 177.39 177.05 2k77 n GLY 25 N 1.09 1.07 3.74 -0.72 0.00 -0.68 -0.64 105.19 109.04 2k77 n GLY 25 Ca 0.21 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 2k77 n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k77 s HIS 26 N -2.31 3.58 -2.36 1.61 3.76 0.00 -2.35 115.29 117.23 2k77 s HIS 26 Ca 0.00 1.06 0.22 0.00 -0.15 0.00 0.00 55.06 56.19 2k77 s HIS 26 Cb 0.00 -2.61 0.51 0.00 1.11 0.00 0.00 32.58 31.59 2k77 s HIS 26 CO 0.00 0.22 1.44 0.09 -0.85 0.00 0.00 174.74 175.64 2k77 n ASN 27 N 3.37 3.08 -3.97 1.40 4.13 -1.20 -3.58 115.26 118.49 2k77 n ASN 27 Ca -0.06 -1.94 -0.10 0.00 1.68 0.00 0.00 54.58 54.16 2k77 n ASN 27 Cb 0.51 -0.25 -0.12 0.00 -1.54 0.00 0.00 39.78 38.39 2k77 n ASN 27 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2k77 s ASN 28 N -1.42 0.26 -0.02 6.41 0.01 -1.26 -3.71 114.94 115.20 2k77 s ASN 28 Ca 0.38 -0.41 -0.27 0.00 -0.71 0.00 0.00 52.86 51.86 2k77 s ASN 28 Cb 0.21 0.07 -0.04 0.00 0.41 0.00 0.00 41.25 41.91 2k77 s ASN 28 CO 0.30 -0.23 0.84 -0.63 -1.51 0.00 0.00 177.10 175.87 2k77 s ILE 29 N -1.16 4.93 0.52 0.60 1.01 0.16 -4.90 121.20 122.37 2k77 s ILE 29 Ca -0.12 1.75 0.07 0.00 0.00 0.00 0.00 60.65 62.35 2k77 s ILE 29 Cb -0.08 -4.18 0.04 0.00 0.01 0.00 0.00 42.46 38.25 2k77 s ILE 29 CO -0.01 0.22 0.52 -0.83 0.00 0.00 0.00 174.94 174.85 2k77 s GLY 30 N 0.82 2.11 0.31 6.18 0.00 -1.26 -1.42 107.32 114.05 2k77 s GLY 30 Ca 0.44 -1.68 0.04 0.00 0.00 0.00 0.00 44.72 43.52 2k77 s GLY 30 CO 0.23 -1.80 1.85 -0.91 0.00 0.00 0.00 173.10 172.48 2k77 h THR 31 N 0.63 0.91 -0.53 0.90 1.35 -1.93 -1.80 112.91 112.45 2k77 h THR 31 Ca -0.36 -0.31 0.11 0.00 -0.55 0.00 0.00 66.41 65.30 2k77 h THR 31 Cb 1.29 -0.08 -0.10 0.00 -1.73 0.00 0.00 68.15 67.54 2k77 h THR 31 CO 0.52 0.17 -0.09 1.05 -0.25 0.00 0.00 175.52 176.91 2k77 h GLU 32 N 0.91 0.03 -0.03 4.72 9.09 -1.93 -0.81 114.58 126.55 2k77 h GLU 32 Ca 0.47 -0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.73 2k77 h GLU 32 Cb 0.53 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.61 2k77 h GLU 32 CO -0.24 0.02 -0.64 0.45 0.05 0.00 0.00 179.01 178.65 2k77 h HIS 33 N 0.03 0.17 -0.26 2.06 3.86 -1.69 -0.15 115.15 119.17 2k77 h HIS 33 Ca 0.26 -0.07 -0.05 0.00 -1.16 0.00 0.00 60.37 59.35 2k77 h HIS 33 Cb 0.40 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 2k77 h HIS 33 CO -0.41 0.74 -0.02 0.82 0.86 0.00 0.00 177.93 179.92 2k77 h ILE 34 N 0.09 1.27 -0.46 2.45 2.04 -1.14 0.99 117.51 122.74 2k77 h ILE 34 Ca -0.01 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 2k77 h ILE 34 Cb 1.15 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 2k77 h ILE 34 CO 0.09 0.30 0.13 0.25 0.00 0.00 0.00 178.15 178.93 2k77 h LEU 35 N 0.24 0.68 -0.76 1.44 5.85 -1.00 -1.12 115.31 120.64 2k77 h LEU 35 Ca 0.07 -0.22 -0.10 0.00 0.84 0.00 0.00 57.88 58.48 2k77 h LEU 35 Cb 0.46 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2k77 h LEU 35 CO 0.02 0.72 -0.09 0.25 -0.34 0.00 0.00 178.44 178.99 2k77 h LEU 36 N 0.61 0.84 -1.24 2.25 5.85 -1.02 -2.19 115.31 120.41 2k77 h LEU 36 Ca 0.15 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2k77 h LEU 36 Cb 0.29 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2k77 h LEU 36 CO -0.00 0.96 0.34 1.23 -0.34 0.00 0.00 178.44 180.63 2k77 h GLY 37 N 0.97 0.93 0.96 3.75 0.00 -0.66 -1.14 103.07 107.89 2k77 h GLY 37 Ca 0.13 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 2k77 h GLY 37 CO 0.04 0.39 -0.20 1.41 0.00 0.00 0.00 176.54 178.17 2k77 h LEU 38 N 0.88 -0.49 -1.11 3.11 3.38 -0.63 -1.40 115.31 119.05 2k77 h LEU 38 Ca 0.22 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 2k77 h LEU 38 Cb 0.02 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2k77 h LEU 38 CO -0.04 -0.33 -0.34 -0.37 0.09 0.00 0.00 178.44 177.45 2k77 h VAL 39 N -0.54 0.87 0.00 1.22 -1.51 -1.33 -1.09 116.25 113.88 2k77 h VAL 39 Ca -0.05 -1.35 -0.06 0.00 -1.23 0.00 0.00 66.70 64.02 2k77 h VAL 39 Cb 0.43 1.82 -0.01 0.00 -2.13 0.00 0.00 31.29 31.40 2k77 h VAL 39 CO 0.07 0.33 -0.28 0.03 -1.23 0.00 0.00 177.57 176.49 2k77 h ARG 40 N 0.00 0.00 0.01 5.19 2.47 -1.11 -3.04 114.38 117.91 2k77 h ARG 40 Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2k77 h ARG 40 Cb 0.79 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.11 2k77 h ARG 40 CO 0.04 0.28 -0.01 1.49 0.56 0.00 0.00 179.97 182.33 2k77 h GLU 41 N 0.00 -0.02 0.00 0.04 4.22 -0.79 -3.48 114.58 114.55 2k77 h GLU 41 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2k77 h GLU 41 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2k77 h GLU 41 CO 0.04 0.70 0.00 0.41 -2.18 0.00 0.00 179.01 177.98 2k77 n GLY 42 N 0.97 1.76 0.02 1.92 0.00 -0.45 -4.73 105.19 104.67 2k77 n GLY 42 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 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 3.24 -0.76 1.61 2.13 -1.26 -4.43 120.64 119.17 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 -1.10 0.16 0.00 0.27 0.00 0.00 31.44 30.77 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 -3.43 1.68 0.27 8.31 0.00 -1.26 -4.63 107.32 108.26 2k77 s GLY 44 Ca -0.02 0.52 0.01 0.00 0.00 0.00 0.00 44.72 45.23 2k77 s GLY 44 CO 0.16 0.94 1.79 -2.22 0.00 0.00 0.00 173.10 173.77 2k77 h ILE 45 N -1.81 0.79 -0.28 0.90 1.08 -1.96 -0.29 117.51 115.95 2k77 h ILE 45 Ca -0.44 -0.26 -0.07 0.00 -0.39 0.00 0.00 64.86 63.69 2k77 h ILE 45 Cb 1.27 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 2k77 h ILE 45 CO 0.43 0.14 -0.11 0.00 -0.69 0.00 0.00 178.15 177.92 2k77 h ALA 46 N 1.56 0.40 -0.36 1.87 0.00 -1.90 0.60 119.26 121.41 2k77 h ALA 46 Ca 0.49 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2k77 h ALA 46 Cb 0.63 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2k77 h ALA 46 CO -0.33 0.25 -0.10 0.00 0.00 0.00 0.00 179.25 179.07 2k77 h ALA 47 N 0.76 1.14 -0.35 0.00 0.00 -1.66 -1.26 119.26 117.89 2k77 h ALA 47 Ca 0.07 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2k77 h ALA 47 Cb 0.61 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2k77 h ALA 47 CO 0.04 0.54 -0.17 -0.22 0.00 0.00 0.00 179.25 179.44 2k77 h LYS 48 N 0.58 0.63 -0.52 0.00 3.64 -0.98 -1.85 116.57 118.06 2k77 h LYS 48 Ca 0.10 -0.22 -0.07 0.00 -1.27 0.00 0.00 60.65 59.20 2k77 h LYS 48 Cb 0.52 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2k77 h LYS 48 CO 0.03 0.77 0.07 0.00 -2.27 0.00 0.00 179.45 178.05 2k77 h ALA 49 N 1.25 0.70 0.01 5.00 0.00 -0.41 0.52 119.26 126.33 2k77 h ALA 49 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2k77 h ALA 49 Cb 0.61 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k77 h ALA 49 CO 0.04 0.45 -0.02 -0.07 0.00 0.00 0.00 179.25 179.65 2k77 h LEU 50 N 0.76 -0.07 -1.16 0.00 3.38 -1.13 -2.09 115.31 115.01 2k77 h LEU 50 Ca 0.16 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2k77 h LEU 50 Cb 0.43 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2k77 h LEU 50 CO 0.01 -0.04 0.06 1.56 0.09 0.00 0.00 178.44 180.12 2k77 h GLN 51 N -0.05 0.65 -0.14 1.13 4.20 -1.24 -2.50 115.11 117.15 2k77 h GLN 51 Ca 0.01 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 2k77 h GLN 51 Cb 0.06 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2k77 h GLN 51 CO -0.02 0.62 -0.19 0.00 -0.67 0.00 0.00 178.83 178.58 2k77 h ALA 52 N 1.45 1.42 0.00 3.87 0.00 -0.72 -1.71 119.26 123.57 2k77 h ALA 52 Ca 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k77 h ALA 52 Cb 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2k77 h ALA 52 CO 0.00 0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.94 2k77 n LEU 53 N -4.22 0.00 0.00 0.00 4.77 -0.80 -4.86 117.00 111.89 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 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2k77 n LEU 53 CO 0.39 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2k77 n GLY 54 N 0.25 0.73 3.95 -0.72 0.00 -0.64 -5.07 105.19 103.68 2k77 n GLY 54 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 2k77 n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k77 s LEU 55 N 0.00 2.80 -0.04 0.99 1.43 -1.01 -5.01 118.68 117.85 2k77 s LEU 55 Ca 0.00 -0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 52.80 2k77 s LEU 55 Cb 0.00 -2.01 0.09 0.00 0.03 0.00 0.00 46.19 44.29 2k77 s LEU 55 CO 0.00 -2.67 0.76 -0.83 0.23 0.00 0.00 176.35 173.83 2k77 s GLY 56 N -4.92 -0.51 0.40 -3.19 0.00 -1.26 -4.35 107.32 93.49 2k77 s GLY 56 Ca 0.74 1.35 0.14 0.00 0.00 0.00 0.00 44.72 46.95 2k77 s GLY 56 CO 0.52 0.83 1.87 1.76 0.00 0.00 0.00 173.10 178.07 2k77 h SER 57 N 2.70 0.49 0.26 1.64 0.02 -1.98 0.44 113.55 117.12 2k77 h SER 57 Ca -0.26 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.67 2k77 h SER 57 Cb 1.17 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 2k77 h SER 57 CO 0.36 0.22 -0.29 1.05 -1.14 0.00 0.00 176.83 177.04 2k77 h GLU 58 N 0.50 0.06 -0.16 3.45 4.11 -1.98 -0.78 114.58 119.79 2k77 h GLU 58 Ca 0.44 -0.02 -0.11 0.00 0.07 0.00 0.00 59.36 59.74 2k77 h GLU 58 Cb 0.95 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2k77 h GLU 58 CO -0.18 0.35 -0.34 0.87 0.07 0.00 0.00 179.01 179.79 2k77 h LYS 59 N 0.06 0.50 -0.01 1.06 1.57 -1.32 -0.80 116.57 117.63 2k77 h LYS 59 Ca 0.01 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2k77 h LYS 59 Cb 0.55 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 2k77 h LYS 59 CO 0.04 0.94 0.00 0.82 -0.57 0.00 0.00 179.45 180.69 2k77 h ILE 60 N 0.13 1.17 -0.65 1.86 5.03 -1.48 -2.48 117.51 121.10 2k77 h ILE 60 Ca 0.00 -0.50 0.02 0.00 -0.12 0.00 0.00 64.86 64.26 2k77 h ILE 60 Cb 0.94 1.50 -0.03 0.00 -3.03 0.00 0.00 36.82 36.19 2k77 h ILE 60 CO 0.07 0.13 0.43 -0.61 -0.68 0.00 0.00 178.15 177.50 2k77 h GLN 61 N -0.20 0.81 -0.09 2.37 4.15 -1.15 0.38 115.11 121.38 2k77 h GLN 61 Ca 0.00 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 2k77 h GLN 61 Cb 0.21 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.72 2k77 h GLN 61 CO -0.00 0.53 0.01 -0.22 -1.93 0.00 0.00 178.83 177.22 2k77 h LYS 62 N 0.83 0.16 -0.31 1.69 3.64 -1.05 -1.12 116.57 120.41 2k77 h LYS 62 Ca 0.25 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.45 2k77 h LYS 62 Cb -0.02 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2k77 h LYS 62 CO -0.06 0.39 -0.33 0.93 -2.27 0.00 0.00 179.45 178.12 2k77 h GLU 63 N -0.10 0.68 0.78 1.90 4.39 -1.06 -1.35 114.58 119.81 2k77 h GLU 63 Ca 0.03 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.38 2k77 h GLU 63 Cb 0.32 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2k77 h GLU 63 CO 0.00 0.91 -0.37 0.28 -1.16 0.00 0.00 179.01 178.67 2k77 h VAL 64 N 0.57 0.20 0.00 3.13 2.07 -0.92 -2.88 116.25 118.41 2k77 h VAL 64 Ca 0.06 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 2k77 h VAL 64 Cb 0.84 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2k77 h VAL 64 CO 0.07 0.01 -0.23 -0.33 0.02 0.00 0.00 177.57 177.11 2k77 h GLU 65 N -1.11 0.00 0.00 1.57 5.08 -1.20 -0.80 114.58 118.13 2k77 h GLU 65 Ca -0.11 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2k77 h GLU 65 Cb 0.81 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 2k77 h GLU 65 CO 0.18 0.23 -0.13 0.77 -1.00 0.00 0.00 179.01 179.05 2k77 h SER 66 N 0.00 0.00 0.11 1.42 0.02 -1.26 -1.41 113.55 112.43 2k77 h SER 66 Ca -0.00 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.59 2k77 h SER 66 Cb 0.55 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.04 2k77 h SER 66 CO 0.03 0.13 -2.23 0.18 -1.14 0.00 0.00 176.83 173.80 2k77 n LEU 67 N -3.32 1.32 -0.00 5.07 4.77 -0.48 -4.65 117.00 119.71 2k77 n LEU 67 Ca -0.00 0.07 0.07 0.00 -0.03 0.00 0.00 56.01 56.12 2k77 n LEU 67 Cb 0.35 -0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.20 2k77 n LEU 67 CO 0.30 0.64 -0.07 2.30 -1.33 0.00 0.00 177.39 179.24 2k77 n ILE 68 N -3.04 0.00 -1.71 -0.08 -5.35 -0.43 -5.09 119.36 103.66 2k77 n ILE 68 Ca -0.33 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 61.97 2k77 n ILE 68 Cb 1.08 0.95 0.00 0.00 -1.74 0.00 0.00 39.64 39.93 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 1.35 2.99 3.56 3.28 0.00 -0.53 -4.88 105.19 110.96 2k77 n GLY 69 Ca 0.02 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 2k77 n GLY 69 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k77 s ARG 70 N 0.00 1.44 0.00 1.61 3.03 -1.26 -4.85 118.95 118.91 2k77 s ARG 70 Ca 0.00 -0.71 0.00 0.00 2.03 0.00 0.00 55.73 57.05 2k77 s ARG 70 Cb 0.00 0.58 0.00 0.00 -1.03 0.00 0.00 34.95 34.50 2k77 s ARG 70 CO 0.00 -0.63 0.00 0.41 -1.13 0.00 0.00 175.30 173.95 2k77 n GLY 71 N -0.39 0.70 2.43 3.88 0.00 0.18 -4.98 105.19 107.02 2k77 n GLY 71 Ca -0.12 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.60 2.97 -2.70 1.61 6.02 -1.05 -4.93 117.38 117.70 2k77 n GLN 72 Ca 0.00 -1.85 -0.41 0.00 -0.01 0.00 0.00 57.00 54.73 2k77 n GLN 72 Cb 0.24 -2.63 -0.04 0.00 1.02 0.00 0.00 30.24 28.84 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 2.65 4.63 0.00 -1.09 2.12 -0.99 -3.26 118.70 122.76 2k77 s GLU 73 Ca 0.57 1.46 0.00 0.00 0.36 0.00 0.00 54.97 57.36 2k77 s GLU 73 Cb 0.15 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 31.13 2k77 s GLU 73 CO -0.05 0.08 0.08 -1.33 -0.54 0.00 0.00 175.26 173.50 2k77 n MET 74 N 3.28 0.95 -3.55 4.30 2.81 -1.26 -4.99 117.12 118.66 2k77 n MET 74 Ca 0.04 -0.08 -0.26 0.00 -1.81 0.00 0.00 57.70 55.59 2k77 n MET 74 Cb 0.50 -0.40 0.05 0.00 -0.71 0.00 0.00 33.22 32.65 2k77 n MET 74 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2k77 n SER 75 N -0.16 -5.78 -3.78 7.83 7.64 -1.26 -5.02 113.62 113.09 2k77 n SER 75 Ca 0.00 -0.90 -0.13 0.00 1.01 0.00 0.00 58.87 58.85 2k77 n SER 75 Cb 0.09 -3.88 -0.13 0.00 -1.01 0.00 0.00 64.21 59.28 2k77 n SER 75 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2k77 s GLN 76 N -5.42 0.20 0.34 1.43 0.74 -1.26 -5.15 119.66 110.55 2k77 s GLN 76 Ca 0.44 0.35 -0.29 0.00 0.05 0.00 0.00 55.36 55.92 2k77 s GLN 76 Cb -0.13 0.01 -0.11 0.00 1.10 0.00 0.00 33.01 33.88 2k77 s GLN 76 CO 0.83 -0.08 1.41 0.99 -0.55 0.00 0.00 175.29 177.88 2k77 s THR 77 N 0.55 2.40 0.19 -0.34 2.01 -1.26 -4.78 115.64 114.41 2k77 s THR 77 Ca -0.04 0.39 -0.33 0.00 0.31 0.00 0.00 61.69 62.03 2k77 s THR 77 Cb -0.05 -3.25 -0.13 0.00 0.01 0.00 0.00 72.50 69.08 2k77 s THR 77 CO -0.03 0.09 1.56 -0.38 -0.69 0.00 0.00 174.62 175.17 2k77 n ILE 78 N 0.82 0.28 -4.36 1.82 2.08 -1.26 -4.93 119.36 113.81 2k77 n ILE 78 Ca 0.01 -0.07 -0.19 0.00 0.56 0.00 0.00 62.75 63.06 2k77 n ILE 78 Cb 0.40 -1.60 -0.09 0.00 -0.75 0.00 0.00 39.64 37.60 2k77 n ILE 78 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 2k77 s HIS 79 N 0.66 1.64 -0.15 1.39 5.65 -1.24 -5.00 115.29 118.23 2k77 s HIS 79 Ca 0.75 -1.31 -0.06 0.00 0.25 0.00 0.00 55.06 54.69 2k77 s HIS 79 Cb -0.64 -0.93 -0.04 0.00 -1.18 0.00 0.00 32.58 29.79 2k77 s HIS 79 CO 0.41 -0.44 0.07 0.71 -0.65 0.00 0.00 174.74 174.83 2k77 s TYR 80 N -3.55 3.30 0.90 3.88 1.51 -1.26 -0.66 117.35 121.46 2k77 s TYR 80 Ca 0.35 0.18 -0.11 0.00 -1.01 0.00 0.00 57.07 56.48 2k77 s TYR 80 Cb 0.05 -2.00 0.13 0.00 -0.11 0.00 0.00 41.96 40.03 2k77 s TYR 80 CO 0.17 0.32 1.10 0.95 -1.11 0.00 0.00 175.55 176.97 2k77 s THR 81 N -0.11 2.60 0.41 -0.71 -4.23 -0.51 -4.75 115.64 108.35 2k77 s THR 81 Ca 0.07 0.19 0.12 0.00 -1.18 0.00 0.00 61.69 60.90 2k77 s THR 81 Cb -0.12 -2.49 0.32 0.00 1.34 0.00 0.00 72.50 71.56 2k77 s THR 81 CO 0.01 -0.25 1.96 -0.65 -0.54 0.00 0.00 174.62 175.15 2k77 h PRO 82 N -1.66 0.48 -0.25 3.99 0.11 -1.99 0.88 132.00 133.57 2k77 h PRO 82 Ca -0.47 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.47 2k77 h PRO 82 Cb 1.27 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2k77 h PRO 82 CO 0.49 0.32 -0.40 0.00 -0.21 0.00 0.00 178.00 178.20 2k77 h ARG 83 N 0.50 0.71 -0.54 1.05 2.47 -1.92 -0.94 114.38 115.71 2k77 h ARG 83 Ca 0.31 -0.43 -0.11 0.00 -1.26 0.00 0.00 59.98 58.49 2k77 h ARG 83 Cb 0.54 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.88 2k77 h ARG 83 CO -0.10 1.05 -0.10 0.00 0.56 0.00 0.00 179.97 181.39 2k77 h ALA 84 N 0.65 0.81 -0.85 0.04 0.00 -1.66 -1.00 119.26 117.24 2k77 h ALA 84 Ca 0.02 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.61 2k77 h ALA 84 Cb 0.99 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 2k77 h ALA 84 CO 0.09 0.66 0.56 -0.22 0.00 0.00 0.00 179.25 180.34 2k77 h LYS 85 N 0.89 1.07 -0.68 0.00 3.64 -0.83 -0.26 116.57 120.41 2k77 h LYS 85 Ca 0.14 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 2k77 h LYS 85 Cb 0.66 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 2k77 h LYS 85 CO 0.05 0.71 0.16 -0.22 -2.27 0.00 0.00 179.45 177.88 2k77 h LYS 86 N 1.10 1.07 -0.53 1.90 1.63 -0.89 -0.88 116.57 119.98 2k77 h LYS 86 Ca 0.33 -0.25 -0.00 0.00 -0.85 0.00 0.00 60.65 59.88 2k77 h LYS 86 Cb -0.05 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.41 2k77 h LYS 86 CO -0.10 0.95 0.31 0.28 -3.45 0.00 0.00 179.45 177.44 2k77 h VAL 87 N 1.02 1.16 -0.37 2.00 2.07 -0.64 -0.01 116.25 121.48 2k77 h VAL 87 Ca 0.21 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 2k77 h VAL 87 Cb 0.36 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2k77 h VAL 87 CO 0.00 0.17 0.22 0.40 0.02 0.00 0.00 177.57 178.38 2k77 h ILE 88 N 0.71 1.13 -0.55 4.57 1.08 -0.71 0.19 117.51 123.91 2k77 h ILE 88 Ca 0.19 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 2k77 h ILE 88 Cb -0.00 0.65 -0.03 0.00 -3.07 0.00 0.00 36.82 34.37 2k77 h ILE 88 CO -0.03 0.13 0.31 -0.33 -0.69 0.00 0.00 178.15 177.53 2k77 h GLU 89 N 0.49 0.77 -0.18 2.37 5.08 -1.04 -2.32 114.58 119.75 2k77 h GLU 89 Ca 0.13 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 2k77 h GLU 89 Cb 0.01 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2k77 h GLU 89 CO -0.02 0.59 -0.55 -0.07 -1.00 0.00 0.00 179.01 177.95 2k77 h LEU 90 N 0.75 0.62 -0.86 1.33 3.38 -0.77 -1.49 115.31 118.26 2k77 h LEU 90 Ca 0.20 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.84 2k77 h LEU 90 Cb 0.04 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 2k77 h LEU 90 CO -0.03 1.04 0.57 0.28 0.09 0.00 0.00 178.44 180.39 2k77 h SER 91 N 0.42 0.99 -0.26 -0.43 0.02 -0.52 0.14 113.55 113.92 2k77 h SER 91 Ca 0.01 -0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.82 2k77 h SER 91 Cb 1.10 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 2k77 h SER 91 CO 0.10 0.72 -0.22 -0.03 -1.14 0.00 0.00 176.83 176.26 2k77 h MET 92 N 1.17 0.73 -0.00 3.45 1.85 -1.30 -1.99 114.93 118.84 2k77 h MET 92 Ca 0.32 -0.29 -0.13 0.00 -0.61 0.00 0.00 59.70 58.99 2k77 h MET 92 Cb -0.14 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 31.84 2k77 h MET 92 CO -0.07 0.89 -0.60 0.22 -0.40 0.00 0.00 176.91 176.95 2k77 h ASP 93 N 0.64 0.00 -0.17 1.39 3.58 -0.54 0.00 116.42 121.32 2k77 h ASP 93 Ca 0.09 -0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.48 2k77 h ASP 93 Cb 0.72 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.76 2k77 h ASP 93 CO 0.05 0.60 -0.10 -0.33 -2.88 0.00 0.00 179.24 176.58 2k77 h GLU 94 N 0.00 0.37 -0.98 0.28 4.39 -0.67 -1.60 114.58 116.38 2k77 h GLU 94 Ca -0.01 -0.17 0.02 0.00 0.34 0.00 0.00 59.36 59.55 2k77 h GLU 94 Cb 1.05 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.64 2k77 h GLU 94 CO 0.08 0.69 0.65 0.00 -1.16 0.00 0.00 179.01 179.27 2k77 h ALA 95 N 0.67 1.27 -0.40 3.43 0.00 -1.26 -1.42 119.26 121.57 2k77 h ALA 95 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2k77 h ALA 95 Cb 0.59 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2k77 h ALA 95 CO 0.03 0.58 0.22 -0.09 0.00 0.00 0.00 179.25 179.99 2k77 h ARG 96 N 1.28 0.55 0.00 0.00 2.43 -0.97 -0.89 114.38 116.78 2k77 h ARG 96 Ca 0.38 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.44 2k77 h ARG 96 Cb -0.07 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 2k77 h ARG 96 CO -0.10 0.43 -0.21 0.87 -1.51 0.00 0.00 179.97 179.45 2k77 h LYS 97 N 0.51 0.00 0.00 0.20 1.57 -0.95 -1.15 116.57 116.75 2k77 h LYS 97 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2k77 h LYS 97 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2k77 h LYS 97 CO -0.02 0.21 0.00 1.28 -0.57 0.00 0.00 179.45 180.35 2k77 n LEU 98 N -3.46 0.00 -0.55 2.94 7.99 -0.56 -4.92 117.00 118.43 2k77 n LEU 98 Ca -0.00 0.33 -0.07 0.00 -0.01 0.00 0.00 56.01 56.25 2k77 n LEU 98 Cb 0.39 -0.33 -0.03 0.00 -0.11 0.00 0.00 43.42 43.34 2k77 n LEU 98 CO 0.33 -0.07 -0.07 0.61 -1.51 0.00 0.00 177.39 176.68 2k77 n GLY 99 N 0.76 0.93 3.88 -0.72 0.00 -0.43 -5.03 105.19 104.59 2k77 n GLY 99 Ca 0.10 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 2k77 n GLY 99 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k77 s HIS 100 N -2.25 3.44 -1.86 1.61 5.04 -0.36 -5.01 115.29 115.89 2k77 s HIS 100 Ca 0.00 0.77 0.27 0.00 -1.54 0.00 0.00 55.06 54.55 2k77 s HIS 100 Cb 0.00 -2.18 0.79 0.00 0.04 0.00 0.00 32.58 31.24 2k77 s HIS 100 CO 0.00 0.31 1.59 -1.13 -2.34 0.00 0.00 174.74 173.17 2k77 n SER 101 N -0.12 1.10 -3.63 9.88 3.41 -1.26 -4.42 113.62 118.57 2k77 n SER 101 Ca -0.00 -0.98 -0.10 0.00 -0.26 0.00 0.00 58.87 57.52 2k77 n SER 101 Cb 0.52 0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 64.55 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 -2.43 -0.23 -0.33 7.33 -0.85 -1.26 -4.66 117.35 114.92 2k77 s TYR 102 Ca 0.26 -0.08 -0.21 0.00 -0.52 0.00 0.00 57.07 56.52 2k77 s TYR 102 Cb 0.19 0.33 -0.00 0.00 0.38 0.00 0.00 41.96 42.87 2k77 s TYR 102 CO 0.49 -0.77 0.67 0.08 -1.52 0.00 0.00 175.55 174.50 2k77 s VAL 103 N -3.81 4.88 0.78 -3.49 1.01 0.21 -4.89 120.40 115.08 2k77 s VAL 103 Ca 0.04 0.80 -0.08 0.00 0.00 0.00 0.00 61.98 62.75 2k77 s VAL 103 Cb 0.01 -4.07 0.12 0.00 0.00 0.00 0.00 36.38 32.43 2k77 s VAL 103 CO -0.10 -0.25 1.10 -0.83 0.00 0.00 0.00 175.10 175.01 2k77 s GLY 104 N 1.72 1.73 0.28 4.51 0.00 -1.26 -1.16 107.32 113.14 2k77 s GLY 104 Ca 0.27 -1.21 -0.03 0.00 0.00 0.00 0.00 44.72 43.75 2k77 s GLY 104 CO 0.14 -0.66 1.93 -0.91 0.00 0.00 0.00 173.10 173.59 2k77 h THR 105 N -0.88 1.17 -0.39 0.90 1.35 -1.93 -1.38 112.91 111.76 2k77 h THR 105 Ca -0.42 -0.41 0.08 0.00 -0.55 0.00 0.00 66.41 65.11 2k77 h THR 105 Cb 1.28 -0.12 -0.09 0.00 -1.73 0.00 0.00 68.15 67.49 2k77 h THR 105 CO 0.49 0.22 -0.35 1.05 -0.25 0.00 0.00 175.52 176.67 2k77 h GLU 106 N 1.19 -0.27 0.00 4.72 9.09 -1.94 -1.60 114.58 125.76 2k77 h GLU 106 Ca 0.37 0.02 -0.07 0.00 0.05 0.00 0.00 59.36 59.72 2k77 h GLU 106 Cb -0.01 0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.14 2k77 h GLU 106 CO -0.11 -0.18 -0.36 0.45 0.05 0.00 0.00 179.01 178.87 2k77 h HIS 107 N -0.28 0.00 -0.16 2.06 3.86 -1.74 -1.04 115.15 117.85 2k77 h HIS 107 Ca 0.16 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2k77 h HIS 107 Cb 0.55 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 2k77 h HIS 107 CO -0.55 0.36 0.09 0.82 0.86 0.00 0.00 177.93 179.50 2k77 h ILE 108 N 0.00 1.09 -0.45 2.45 2.04 -0.69 -0.09 117.51 121.85 2k77 h ILE 108 Ca -0.00 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 2k77 h ILE 108 Cb 0.68 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 2k77 h ILE 108 CO 0.05 0.08 0.13 0.25 0.00 0.00 0.00 178.15 178.66 2k77 h LEU 109 N 0.16 0.67 -1.19 1.44 5.85 -0.79 -0.79 115.31 120.66 2k77 h LEU 109 Ca 0.06 -0.22 0.10 0.00 0.84 0.00 0.00 57.88 58.66 2k77 h LEU 109 Cb 0.05 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.84 2k77 h LEU 109 CO -0.01 0.71 0.58 -0.07 -0.34 0.00 0.00 178.44 179.31 2k77 h LEU 110 N 0.59 0.81 -0.59 2.25 3.38 -1.13 -1.71 115.31 118.91 2k77 h LEU 110 Ca 0.14 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2k77 h LEU 110 Cb 0.29 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2k77 h LEU 110 CO -0.00 0.47 0.17 1.23 0.09 0.00 0.00 178.44 180.39 2k77 h GLY 111 N 0.89 1.00 0.96 0.83 0.00 -0.40 -0.75 103.07 105.60 2k77 h GLY 111 Ca 0.42 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2k77 h GLY 111 CO -0.18 0.57 0.18 1.41 0.00 0.00 0.00 176.54 178.52 2k77 h LEU 112 N 0.84 0.40 -0.60 3.11 3.38 -0.32 -1.44 115.31 120.69 2k77 h LEU 112 Ca 0.19 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 2k77 h LEU 112 Cb 0.32 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2k77 h LEU 112 CO -0.00 0.36 -0.64 0.16 0.09 0.00 0.00 178.44 178.42 2k77 h ILE 113 N 0.40 1.40 -0.14 1.22 3.07 -1.35 -3.17 117.51 118.94 2k77 h ILE 113 Ca 0.11 -2.05 -0.08 0.00 1.55 0.00 0.00 64.86 64.39 2k77 h ILE 113 Cb 0.05 2.05 -0.01 0.00 -0.27 0.00 0.00 36.82 38.64 2k77 h ILE 113 CO -0.02 0.61 -0.28 -0.09 -1.05 0.00 0.00 178.15 177.32 2k77 h ARG 114 N 0.18 0.26 -0.17 0.16 9.65 -0.94 -3.10 114.38 120.42 2k77 h ARG 114 Ca -0.01 -0.09 -0.04 0.00 -1.10 0.00 0.00 59.98 58.74 2k77 h ARG 114 Cb 1.16 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.71 2k77 h ARG 114 CO 0.10 0.52 -0.04 1.49 2.80 0.00 0.00 179.97 184.84 2k77 h GLU 115 N 0.23 0.32 0.00 0.20 4.22 -1.27 -3.47 114.58 114.82 2k77 h GLU 115 Ca 0.04 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.35 2k77 h GLU 115 Cb 0.62 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2k77 h GLU 115 CO 0.04 0.60 0.00 0.41 -2.18 0.00 0.00 179.01 177.88 2k77 n GLY 116 N -0.13 2.23 0.06 1.92 0.00 -1.17 -4.69 105.19 103.40 2k77 n GLY 116 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 2k77 n GLY 116 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k77 n GLU 117 N -1.46 1.42 -0.80 1.61 1.02 -1.26 -4.69 120.64 116.49 2k77 n GLU 117 Ca 0.00 -0.03 -0.31 0.00 -0.02 0.00 0.00 57.16 56.80 2k77 n GLU 117 Cb 0.00 -1.38 0.16 0.00 -0.02 0.00 0.00 31.44 30.20 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 -4.64 1.67 0.37 0.62 0.00 -1.26 -4.84 107.32 99.24 2k77 s GLY 118 Ca -0.07 0.46 0.10 0.00 0.00 0.00 0.00 44.72 45.21 2k77 s GLY 118 CO 0.61 0.89 1.89 -2.08 0.00 0.00 0.00 173.10 174.41 2k77 h VAL 119 N -1.80 0.84 -0.70 1.40 2.07 -1.94 -2.24 116.25 113.87 2k77 h VAL 119 Ca -0.45 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 66.93 2k77 h VAL 119 Cb 1.27 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 2k77 h VAL 119 CO 0.44 0.12 0.38 0.00 0.02 0.00 0.00 177.57 178.53 2k77 h ALA 120 N 1.61 0.96 -0.27 1.67 0.00 -1.92 0.76 119.26 122.07 2k77 h ALA 120 Ca 0.42 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.27 2k77 h ALA 120 Cb 0.72 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2k77 h ALA 120 CO -0.18 0.04 -0.22 0.00 0.00 0.00 0.00 179.25 178.89 2k77 h ALA 121 N 1.38 1.12 -0.32 0.00 0.00 -1.60 -2.38 119.26 117.46 2k77 h ALA 121 Ca 0.33 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2k77 h ALA 121 Cb 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2k77 h ALA 121 CO -0.21 0.55 -0.11 0.00 0.00 0.00 0.00 179.25 179.48 2k77 h ARG 122 N 0.45 0.63 -0.12 0.00 2.47 -1.19 -2.39 114.38 114.22 2k77 h ARG 122 Ca 0.07 -0.26 0.03 0.00 -1.26 0.00 0.00 59.98 58.56 2k77 h ARG 122 Cb 0.63 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.89 2k77 h ARG 122 CO 0.05 0.83 -0.07 0.28 0.56 0.00 0.00 179.97 181.62 2k77 h VAL 123 N 0.40 0.78 -0.59 2.04 2.07 -0.81 -0.20 116.25 119.93 2k77 h VAL 123 Ca 0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 2k77 h VAL 123 Cb 0.62 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2k77 h VAL 123 CO 0.04 0.00 0.36 -0.07 0.02 0.00 0.00 177.57 177.92 2k77 h LEU 124 N -0.07 0.71 -1.00 2.57 3.38 -1.44 -1.38 115.31 118.09 2k77 h LEU 124 Ca 0.07 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2k77 h LEU 124 Cb 0.18 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2k77 h LEU 124 CO -0.17 0.55 -0.19 0.78 0.09 0.00 0.00 178.44 179.50 2k77 h ASN 125 N 0.80 0.49 -0.36 -0.43 2.35 -1.14 0.67 115.58 117.97 2k77 h ASN 125 Ca 0.21 -0.15 -0.12 0.00 -0.55 0.00 0.00 56.30 55.70 2k77 h ASN 125 Cb -0.03 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 2k77 h ASN 125 CO -0.04 0.70 -0.21 0.78 -1.65 0.00 0.00 177.43 177.01 2k77 h ASN 126 N 0.45 0.87 0.57 5.81 4.21 -0.67 -3.12 115.58 123.70 2k77 h ASN 126 Ca 0.07 -0.31 -0.13 0.00 1.21 0.00 0.00 56.30 57.14 2k77 h ASN 126 Cb 0.59 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 37.54 2k77 h ASN 126 CO 0.04 1.05 -0.62 -0.07 -1.29 0.00 0.00 177.43 176.54 2k77 h LEU 127 N 0.74 0.06 0.00 1.61 3.38 -1.01 -3.48 115.31 116.61 2k77 h LEU 127 Ca 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2k77 h LEU 127 Cb 0.74 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2k77 h LEU 127 CO 0.06 0.66 0.00 0.61 0.09 0.00 0.00 178.44 179.86 2k77 n GLY 128 N 0.26 1.53 3.76 0.83 0.00 -0.50 -5.10 105.19 105.97 2k77 n GLY 128 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2k77 n GLY 128 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k77 s VAL 129 N -1.84 5.23 0.43 1.61 1.01 0.11 -4.98 120.40 121.97 2k77 s VAL 129 Ca 0.00 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.17 2k77 s VAL 129 Cb 0.00 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 2k77 s VAL 129 CO 0.00 0.53 0.41 -0.94 0.00 0.00 0.00 175.10 175.09 2k77 s SER 130 N -0.27 5.06 0.26 3.32 1.04 -1.26 -2.89 113.70 118.96 2k77 s SER 130 Ca 0.10 -0.76 -0.02 0.00 0.48 0.00 0.00 55.95 55.75 2k77 s SER 130 Cb -0.12 -0.48 0.50 0.00 0.10 0.00 0.00 66.02 66.03 2k77 s SER 130 CO 0.01 -0.71 1.76 0.25 0.98 0.00 0.00 173.24 175.53 2k77 h LEU 131 N 0.96 0.48 -0.18 2.42 6.46 -1.97 -1.19 115.31 122.28 2k77 h LEU 131 Ca -0.41 0.09 -0.13 0.00 -0.12 0.00 0.00 57.88 57.31 2k77 h LEU 131 Cb 1.27 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.22 2k77 h LEU 131 CO 0.56 0.21 -0.41 0.78 -0.62 0.00 0.00 178.44 178.96 2k77 h ASN 132 N 0.59 0.68 -0.34 1.25 2.35 -1.98 -1.52 115.58 116.60 2k77 h ASN 132 Ca 0.45 -0.56 -0.08 0.00 -0.55 0.00 0.00 56.30 55.56 2k77 h ASN 132 Cb 0.63 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 2k77 h ASN 132 CO -0.36 1.12 -0.09 0.50 -1.65 0.00 0.00 177.43 176.95 2k77 h LYS 133 N 0.27 0.67 -0.27 0.81 3.64 -1.88 -0.89 116.57 118.92 2k77 h LYS 133 Ca 0.00 -0.26 -0.12 0.00 -1.27 0.00 0.00 60.65 59.00 2k77 h LYS 133 Cb 1.02 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.80 2k77 h LYS 133 CO 0.09 0.84 -0.30 0.00 -2.27 0.00 0.00 179.45 177.80 2k77 h ALA 134 N 0.81 0.40 -0.04 5.00 0.00 -1.32 -2.54 119.26 121.56 2k77 h ALA 134 Ca 0.09 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.62 2k77 h ALA 134 Cb 0.59 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2k77 h ALA 134 CO 0.04 0.43 -0.19 0.00 0.00 0.00 0.00 179.25 179.52 2k77 h ARG 135 N 0.41 -0.28 -0.71 0.00 3.08 -1.21 -1.46 114.38 114.21 2k77 h ARG 135 Ca 0.04 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2k77 h ARG 135 Cb 0.88 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 2k77 h ARG 135 CO 0.07 -0.19 0.39 0.37 -1.07 0.00 0.00 179.97 179.55 2k77 h GLN 136 N -0.29 1.00 -0.20 0.04 4.15 -1.17 0.44 115.11 119.07 2k77 h GLN 136 Ca 0.07 -0.12 -0.19 0.00 0.77 0.00 0.00 58.65 59.18 2k77 h GLN 136 Cb 0.39 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.88 2k77 h GLN 136 CO -0.21 0.75 -0.64 1.96 -1.93 0.00 0.00 178.83 178.75 2k77 h GLN 137 N 0.98 0.73 -0.25 1.69 1.08 -1.36 -1.64 115.11 116.35 2k77 h GLN 137 Ca 0.25 -0.52 -0.07 0.00 -1.45 0.00 0.00 58.65 56.86 2k77 h GLN 137 Cb 0.04 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 2k77 h GLN 137 CO -0.04 1.14 -0.13 0.28 -0.95 0.00 0.00 178.83 179.13 2k77 h VAL 138 N 0.54 1.30 0.00 -0.54 2.07 -1.05 -0.41 116.25 118.17 2k77 h VAL 138 Ca -0.01 -1.23 -0.06 0.00 0.82 0.00 0.00 66.70 66.23 2k77 h VAL 138 Cb 1.24 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2k77 h VAL 138 CO 0.13 0.38 -0.27 -0.07 0.02 0.00 0.00 177.57 177.77 2k77 h LEU 139 N 0.25 0.00 -0.00 2.57 3.38 -0.97 -1.98 115.31 118.56 2k77 h LEU 139 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2k77 h LEU 139 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2k77 h LEU 139 CO 0.04 0.27 -0.06 -0.61 0.09 0.00 0.00 178.44 178.17 2k77 h GLN 140 N 0.00 0.04 0.00 1.13 4.15 -1.22 -3.39 115.11 115.82 2k77 h GLN 140 Ca -0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2k77 h GLN 140 Cb 0.64 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.34 2k77 h GLN 140 CO 0.03 0.81 0.00 1.25 -1.93 0.00 0.00 178.83 178.99 2k77 h LEU 141 N -0.70 0.00 0.00 -2.39 5.85 -0.86 -0.46 115.31 116.74 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 0.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.85 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 -3.02 0.00 0.00 2.25 -0.00 -0.76 -4.67 117.00 110.80 2k77 n LEU 142 Ca 0.03 0.39 0.00 0.00 -0.00 0.00 0.00 56.01 56.43 2k77 n LEU 142 Cb 0.45 -0.39 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 2k77 n LEU 142 CO 0.31 -0.24 0.00 0.61 -0.00 0.00 0.00 177.39 178.07 2k77 n GLY 143 N -0.31 0.11 0.10 1.47 0.00 -1.23 -5.03 105.19 100.30 2k77 n GLY 143 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.00 1.61 0.87 -1.61 -3.52 113.55 110.90 2k77 h SER 144 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k77 h SER 144 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2k77 h SER 144 CO 0.00 0.78 0.00 -3.20 -0.53 0.00 0.00 176.83 173.88