#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 0.29 -0.00 2.12 -2.45 -1.26 -5.10 119.30 112.90 2k77 s MET 2 Ca 0.00 -0.13 -0.21 0.00 -1.25 0.00 0.00 55.69 54.11 2k77 s MET 2 Cb 0.00 0.12 -0.22 0.00 1.25 0.00 0.00 34.83 35.98 2k77 s MET 2 CO 0.00 -0.06 1.11 0.27 1.05 0.00 0.00 175.02 177.40 2k77 h PHE 3 N 5.19 0.54 0.00 4.11 -5.15 -1.99 -3.47 116.94 116.15 2k77 h PHE 3 Ca -0.28 -0.28 0.00 0.00 -0.20 0.00 0.00 57.97 57.22 2k77 h PHE 3 Cb 1.20 -0.07 0.00 0.00 0.22 0.00 0.00 35.95 37.30 2k77 h PHE 3 CO 0.50 1.08 0.00 0.41 -2.00 0.00 0.00 178.31 178.30 2k77 n GLY 4 N 0.97 0.22 3.74 6.09 0.00 -1.26 -4.98 105.19 109.97 2k77 n GLY 4 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 2k77 n GLY 4 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k77 s ARG 5 N -1.00 4.79 0.10 1.61 3.52 -1.26 -4.99 118.95 121.72 2k77 s ARG 5 Ca 0.00 1.47 0.09 0.00 -0.13 0.00 0.00 55.73 57.16 2k77 s ARG 5 Cb 0.00 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 30.04 2k77 s ARG 5 CO 0.00 0.40 -0.20 -0.06 -0.81 0.00 0.00 175.30 174.63 2k77 s PHE 6 N -0.73 2.49 0.99 5.12 0.40 -1.26 -0.50 117.98 124.48 2k77 s PHE 6 Ca 0.43 -0.29 -0.12 0.00 -0.60 0.00 0.00 56.93 56.35 2k77 s PHE 6 Cb -0.25 -1.36 0.18 0.00 0.51 0.00 0.00 43.02 42.11 2k77 s PHE 6 CO 0.31 0.34 1.08 0.95 0.70 0.00 0.00 175.22 178.60 2k77 s THR 7 N -1.07 2.31 0.23 0.64 -4.23 -0.38 -4.77 115.64 108.38 2k77 s THR 7 Ca 0.16 0.10 -0.07 0.00 -1.18 0.00 0.00 61.69 60.71 2k77 s THR 7 Cb -0.10 -2.46 0.18 0.00 1.34 0.00 0.00 72.50 71.46 2k77 s THR 7 CO 0.08 -0.13 1.82 -0.33 -0.54 0.00 0.00 174.62 175.52 2k77 h GLU 8 N -1.91 1.21 -0.50 3.99 5.08 -1.99 0.02 114.58 120.49 2k77 h GLU 8 Ca -0.53 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 57.57 2k77 h GLU 8 Cb 1.31 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 2k77 h GLU 8 CO 0.53 0.93 -0.00 0.00 -1.00 0.00 0.00 179.01 179.47 2k77 h ARG 9 N 1.19 0.83 -0.21 2.33 -0.00 -1.97 -0.68 114.38 115.88 2k77 h ARG 9 Ca 0.29 -0.23 -0.11 0.00 -0.50 0.00 0.00 59.98 59.42 2k77 h ARG 9 Cb 0.13 -0.09 -0.00 0.00 0.00 0.00 0.00 29.97 30.01 2k77 h ARG 9 CO -0.03 0.84 -0.31 0.00 0.00 0.00 0.00 179.97 180.47 2k77 h ALA 10 N 1.22 0.32 -0.70 0.04 0.00 -1.79 -2.11 119.26 116.24 2k77 h ALA 10 Ca 0.15 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.67 2k77 h ALA 10 Cb 0.47 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2k77 h ALA 10 CO 0.02 0.34 0.46 1.96 0.00 0.00 0.00 179.25 182.04 2k77 h GLN 11 N 0.25 0.87 -0.36 0.00 4.20 -0.94 -1.97 115.11 117.17 2k77 h GLN 11 Ca 0.02 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 2k77 h GLN 11 Cb 0.89 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 2k77 h GLN 11 CO 0.07 0.58 0.21 0.87 -0.67 0.00 0.00 178.83 179.89 2k77 h LYS 12 N 0.90 0.49 -0.67 1.46 1.79 -0.96 -0.30 116.57 119.28 2k77 h LYS 12 Ca 0.27 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.67 2k77 h LYS 12 Cb -0.03 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.49 2k77 h LYS 12 CO -0.07 0.38 0.32 -0.39 -1.08 0.00 0.00 179.45 178.62 2k77 h VAL 13 N 0.46 1.21 -0.04 0.50 -1.51 -0.68 0.44 116.25 116.63 2k77 h VAL 13 Ca 0.13 -0.60 -0.19 0.00 -1.23 0.00 0.00 66.70 64.81 2k77 h VAL 13 Cb 0.02 0.36 -0.00 0.00 -2.13 0.00 0.00 31.29 29.53 2k77 h VAL 13 CO -0.02 0.25 -0.80 -0.07 -1.23 0.00 0.00 177.57 175.69 2k77 h LEU 14 N 0.94 0.43 -0.54 4.19 3.38 -1.28 -0.57 115.31 121.87 2k77 h LEU 14 Ca 0.23 -0.31 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 2k77 h LEU 14 Cb 0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2k77 h LEU 14 CO -0.03 1.07 -0.26 0.00 0.09 0.00 0.00 178.44 179.31 2k77 h ALA 15 N 0.91 0.73 -0.30 1.53 0.00 -0.77 -3.01 119.26 118.35 2k77 h ALA 15 Ca -0.04 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 2k77 h ALA 15 Cb 1.40 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2k77 h ALA 15 CO 0.13 0.66 -0.27 -0.07 0.00 0.00 0.00 179.25 179.71 2k77 h LEU 16 N 0.78 0.62 -1.56 0.00 3.38 -0.87 -3.02 115.31 114.64 2k77 h LEU 16 Ca 0.09 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.86 2k77 h LEU 16 Cb 0.82 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 2k77 h LEU 16 CO 0.07 0.87 0.33 0.00 0.09 0.00 0.00 178.44 179.80 2k77 h ALA 17 N 1.17 1.75 -0.35 1.53 0.00 -1.00 0.45 119.26 122.81 2k77 h ALA 17 Ca 0.07 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 2k77 h ALA 17 Cb 0.74 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k77 h ALA 17 CO 0.06 0.20 -0.43 -0.56 0.00 0.00 0.00 179.25 178.52 2k77 h GLN 18 N 0.58 0.89 -0.04 0.00 -0.00 -1.40 -1.03 115.11 114.11 2k77 h GLN 18 Ca 0.19 -0.50 -0.22 0.00 -0.00 0.00 0.00 58.65 58.13 2k77 h GLN 18 Cb 0.07 0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.58 2k77 h GLN 18 CO -0.05 1.14 -0.86 1.49 -0.00 0.00 0.00 178.83 180.55 2k77 h GLU 19 N 0.72 0.48 -0.52 0.06 4.81 -1.39 -1.68 114.58 117.05 2k77 h GLU 19 Ca 0.05 -0.46 -0.07 0.00 -0.13 0.00 0.00 59.36 58.74 2k77 h GLU 19 Cb 1.03 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 2k77 h GLU 19 CO 0.10 1.10 0.02 0.93 -0.73 0.00 0.00 179.01 180.44 2k77 h GLU 20 N 0.30 0.87 0.01 1.92 4.39 -0.93 0.90 114.58 122.03 2k77 h GLU 20 Ca -0.06 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 2k77 h GLU 20 Cb 1.48 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 2k77 h GLU 20 CO 0.15 0.85 -0.01 0.00 -1.16 0.00 0.00 179.01 178.85 2k77 h ALA 21 N 1.21 -0.02 -0.45 3.43 0.00 -1.07 -1.47 119.26 120.89 2k77 h ALA 21 Ca 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2k77 h ALA 21 Cb 0.45 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2k77 h ALA 21 CO 0.02 -0.50 0.10 -0.07 0.00 0.00 0.00 179.25 178.80 2k77 h LEU 22 N -0.04 0.63 -0.91 0.00 3.38 -1.09 0.79 115.31 118.07 2k77 h LEU 22 Ca -0.00 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2k77 h LEU 22 Cb 0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2k77 h LEU 22 CO 0.00 0.63 0.10 -0.09 0.09 0.00 0.00 178.44 179.17 2k77 h ARG 23 N 0.66 0.90 -0.00 1.13 1.12 -0.67 -2.58 114.38 114.94 2k77 h ARG 23 Ca 0.15 -0.21 0.00 0.00 -1.11 0.00 0.00 59.98 58.81 2k77 h ARG 23 Cb 0.25 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.09 2k77 h ARG 23 CO -0.00 0.83 -0.03 1.28 -3.11 0.00 0.00 179.97 178.94 2k77 n LEU 24 N -4.24 0.08 -1.69 3.80 4.77 -0.57 -4.94 117.00 114.21 2k77 n LEU 24 Ca 0.04 0.28 -0.10 0.00 -0.03 0.00 0.00 56.01 56.20 2k77 n LEU 24 Cb 0.26 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2k77 n LEU 24 CO 0.41 0.02 0.08 0.61 -1.33 0.00 0.00 177.39 177.17 2k77 n GLY 25 N 1.34 0.29 3.50 -0.72 0.00 -0.88 -4.40 105.19 104.32 2k77 n GLY 25 Ca 0.13 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.04 3.02 -2.12 1.61 3.76 0.22 -0.59 115.29 118.15 2k77 s HIS 26 Ca 0.21 -0.28 0.15 0.00 -0.15 0.00 0.00 55.06 55.00 2k77 s HIS 26 Cb -0.09 -1.94 0.50 0.00 1.11 0.00 0.00 32.58 32.16 2k77 s HIS 26 CO 0.27 -0.01 1.39 0.27 -0.85 0.00 0.00 174.74 175.80 2k77 n ASN 27 N 3.44 1.84 -3.84 1.40 6.94 -0.31 -3.56 115.26 121.17 2k77 n ASN 27 Ca -0.17 -1.88 -0.12 0.00 -0.02 0.00 0.00 54.58 52.39 2k77 n ASN 27 Cb 0.53 -0.19 -0.14 0.00 -2.36 0.00 0.00 39.78 37.62 2k77 n ASN 27 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2k77 s ASN 28 N -1.24 -0.06 0.03 0.53 6.03 -1.26 -1.42 114.94 117.55 2k77 s ASN 28 Ca 0.28 0.12 -0.30 0.00 -1.03 0.00 0.00 52.86 51.92 2k77 s ASN 28 Cb 0.15 0.11 -0.04 0.00 -3.03 0.00 0.00 41.25 38.43 2k77 s ASN 28 CO 0.21 -0.03 1.09 -0.63 -2.03 0.00 0.00 177.10 175.71 2k77 s ILE 29 N 0.11 4.43 0.51 0.54 1.01 0.18 -4.88 121.20 123.10 2k77 s ILE 29 Ca -0.01 1.75 0.06 0.00 0.00 0.00 0.00 60.65 62.45 2k77 s ILE 29 Cb -0.01 -4.12 0.02 0.00 0.01 0.00 0.00 42.46 38.36 2k77 s ILE 29 CO -0.00 0.14 0.37 -0.83 0.00 0.00 0.00 174.94 174.61 2k77 s GLY 30 N 1.02 2.35 0.32 6.18 0.00 -1.26 -1.44 107.32 114.48 2k77 s GLY 30 Ca 0.55 -1.43 0.06 0.00 0.00 0.00 0.00 44.72 43.90 2k77 s GLY 30 CO 0.29 -1.91 1.84 -0.91 0.00 0.00 0.00 173.10 172.40 2k77 h THR 31 N 0.87 0.83 -0.51 0.90 1.35 -1.93 -1.79 112.91 112.64 2k77 h THR 31 Ca -0.38 -0.28 0.10 0.00 -0.55 0.00 0.00 66.41 65.30 2k77 h THR 31 Cb 1.29 -0.06 -0.09 0.00 -1.73 0.00 0.00 68.15 67.57 2k77 h THR 31 CO 0.59 0.15 -0.04 1.05 -0.25 0.00 0.00 175.52 177.02 2k77 h GLU 32 N 0.82 0.07 -0.04 4.72 9.09 -1.94 -0.51 114.58 126.79 2k77 h GLU 32 Ca 0.50 -0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.74 2k77 h GLU 32 Cb 0.69 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.76 2k77 h GLU 32 CO -0.27 0.05 -0.71 0.45 0.05 0.00 0.00 179.01 178.58 2k77 h HIS 33 N 0.07 0.29 -0.49 2.06 3.86 -1.69 0.19 115.15 119.44 2k77 h HIS 33 Ca 0.25 -0.13 -0.06 0.00 -1.16 0.00 0.00 60.37 59.27 2k77 h HIS 33 Cb 0.39 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 2k77 h HIS 33 CO -0.35 0.85 0.08 0.82 0.86 0.00 0.00 177.93 180.19 2k77 h ILE 34 N 0.14 1.25 -0.47 2.45 2.04 -1.21 0.12 117.51 121.83 2k77 h ILE 34 Ca -0.02 -0.93 -0.08 0.00 1.00 0.00 0.00 64.86 64.83 2k77 h ILE 34 Cb 1.27 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 2k77 h ILE 34 CO 0.11 0.33 -0.04 0.25 0.00 0.00 0.00 178.15 178.80 2k77 h LEU 35 N 0.69 0.85 -0.79 1.44 5.85 -0.94 -0.90 115.31 121.51 2k77 h LEU 35 Ca 0.15 -0.33 -0.11 0.00 0.84 0.00 0.00 57.88 58.43 2k77 h LEU 35 Cb 0.40 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2k77 h LEU 35 CO 0.01 0.97 -0.30 0.25 -0.34 0.00 0.00 178.44 179.03 2k77 h LEU 36 N 0.70 0.59 -0.77 2.25 5.85 -0.87 -2.29 115.31 120.77 2k77 h LEU 36 Ca 0.13 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 2k77 h LEU 36 Cb 0.56 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2k77 h LEU 36 CO 0.03 0.86 -0.03 1.23 -0.34 0.00 0.00 178.44 180.19 2k77 h GLY 37 N 1.03 0.98 0.52 3.75 0.00 -0.71 -1.66 103.07 106.97 2k77 h GLY 37 Ca 0.06 -0.70 0.03 0.00 0.00 0.00 0.00 47.33 46.72 2k77 h GLY 37 CO 0.06 0.65 -0.19 1.41 0.00 0.00 0.00 176.54 178.47 2k77 h LEU 38 N 0.83 -0.57 -1.04 3.11 3.38 -0.83 -0.60 115.31 119.59 2k77 h LEU 38 Ca 0.15 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 2k77 h LEU 38 Cb 0.54 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2k77 h LEU 38 CO 0.03 -0.26 -0.32 -0.37 0.09 0.00 0.00 178.44 177.61 2k77 h VAL 39 N -0.31 0.78 0.00 1.22 -1.51 -1.38 -1.26 116.25 113.79 2k77 h VAL 39 Ca 0.06 -1.35 -0.11 0.00 -1.23 0.00 0.00 66.70 64.08 2k77 h VAL 39 Cb 0.39 1.84 -0.02 0.00 -2.13 0.00 0.00 31.29 31.38 2k77 h VAL 39 CO -0.19 0.31 -0.52 -0.09 -1.23 0.00 0.00 177.57 175.85 2k77 h ARG 40 N 0.00 0.00 -0.10 5.19 2.43 -1.06 -3.09 114.38 117.76 2k77 h ARG 40 Ca -0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 2k77 h ARG 40 Cb 0.82 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 2k77 h ARG 40 CO 0.04 0.52 -0.28 1.49 -1.51 0.00 0.00 179.97 180.24 2k77 h GLU 41 N 0.00 0.36 0.00 0.20 4.57 -0.78 -3.47 114.58 115.46 2k77 h GLU 41 Ca -0.01 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 2k77 h GLU 41 Cb 0.99 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 2k77 h GLU 41 CO 0.07 0.87 0.00 0.41 -1.18 0.00 0.00 179.01 179.18 2k77 n GLY 42 N 0.55 1.37 0.01 1.92 0.00 -0.50 -4.59 105.19 103.94 2k77 n GLY 42 Ca -0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.67 0.48 -1.37 1.61 1.02 -1.26 -4.15 120.64 116.29 2k77 n GLU 43 Ca 0.00 -0.14 -0.33 0.00 -0.02 0.00 0.00 57.16 56.67 2k77 n GLU 43 Cb 0.00 -1.52 0.10 0.00 -0.02 0.00 0.00 31.44 29.99 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 -4.09 2.19 0.25 0.62 0.00 -1.26 -4.76 107.32 100.26 2k77 s GLY 44 Ca -0.03 0.76 -0.04 0.00 0.00 0.00 0.00 44.72 45.41 2k77 s GLY 44 CO 0.89 1.16 1.80 -2.22 0.00 0.00 0.00 173.10 174.73 2k77 h ILE 45 N -0.51 0.89 -0.46 0.90 1.08 -1.93 -0.04 117.51 117.43 2k77 h ILE 45 Ca -0.47 -0.27 -0.07 0.00 -0.39 0.00 0.00 64.86 63.67 2k77 h ILE 45 Cb 1.28 0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 2k77 h ILE 45 CO 0.49 0.14 0.03 0.00 -0.69 0.00 0.00 178.15 178.12 2k77 h ALA 46 N 1.47 0.62 -0.46 1.87 0.00 -1.90 0.49 119.26 121.35 2k77 h ALA 46 Ca 0.41 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2k77 h ALA 46 Cb 0.40 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2k77 h ALA 46 CO -0.26 0.39 -0.08 0.00 0.00 0.00 0.00 179.25 179.30 2k77 h ALA 47 N 0.93 1.01 -0.21 0.00 0.00 -1.64 0.00 119.26 119.34 2k77 h ALA 47 Ca 0.13 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2k77 h ALA 47 Cb 0.46 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2k77 h ALA 47 CO 0.02 0.60 -0.33 -0.22 0.00 0.00 0.00 179.25 179.32 2k77 h LYS 48 N 0.73 0.44 -0.44 0.00 3.64 -0.94 -1.79 116.57 118.22 2k77 h LYS 48 Ca 0.13 -0.19 -0.13 0.00 -1.27 0.00 0.00 60.65 59.19 2k77 h LYS 48 Cb 0.56 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2k77 h LYS 48 CO 0.03 0.72 -0.22 0.00 -2.27 0.00 0.00 179.45 177.71 2k77 h ALA 49 N 1.27 0.62 -0.22 5.00 0.00 -0.47 0.56 119.26 126.01 2k77 h ALA 49 Ca 0.05 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.58 2k77 h ALA 49 Cb 0.77 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2k77 h ALA 49 CO 0.06 0.60 0.10 -0.07 0.00 0.00 0.00 179.25 179.95 2k77 h LEU 50 N 0.75 0.16 -1.17 0.00 3.38 -0.91 -1.42 115.31 116.10 2k77 h LEU 50 Ca 0.10 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2k77 h LEU 50 Cb 0.79 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2k77 h LEU 50 CO 0.07 0.12 -0.06 1.56 0.09 0.00 0.00 178.44 180.22 2k77 h GLN 51 N 0.23 0.50 -0.19 1.13 4.20 -1.25 -1.95 115.11 117.78 2k77 h GLN 51 Ca 0.09 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 2k77 h GLN 51 Cb 0.02 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2k77 h GLN 51 CO -0.06 0.58 -0.20 0.00 -0.67 0.00 0.00 178.83 178.47 2k77 h ALA 52 N 1.47 1.30 0.00 3.87 0.00 -0.58 -1.75 119.26 123.57 2k77 h ALA 52 Ca 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k77 h ALA 52 Cb 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2k77 h ALA 52 CO 0.02 0.47 0.00 1.28 0.00 0.00 0.00 179.25 181.02 2k77 n LEU 53 N -4.18 0.00 0.00 0.00 4.77 -0.56 -4.87 117.00 112.16 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 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2k77 n LEU 53 CO 0.40 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2k77 n GLY 54 N 0.27 0.73 2.18 -0.72 0.00 -0.66 -4.98 105.19 102.01 2k77 n GLY 54 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.62 0.99 4.77 -0.77 -4.98 117.00 113.39 2k77 n LEU 55 Ca 0.00 -0.91 -0.02 0.00 -0.03 0.00 0.00 56.01 55.05 2k77 n LEU 55 Cb 0.00 -0.53 -0.01 0.00 -2.33 0.00 0.00 43.42 40.55 2k77 n LEU 55 CO 0.00 -0.98 0.96 -0.83 -1.33 0.00 0.00 177.39 175.22 2k77 s GLY 56 N -4.47 -0.35 0.19 -0.72 0.00 -1.26 -4.30 107.32 96.40 2k77 s GLY 56 Ca 0.41 0.98 -0.12 0.00 0.00 0.00 0.00 44.72 45.99 2k77 s GLY 56 CO 0.29 0.27 1.81 1.48 0.00 0.00 0.00 173.10 176.95 2k77 h SER 57 N 2.00 0.52 0.00 1.64 4.64 -1.99 -1.81 113.55 118.56 2k77 h SER 57 Ca -0.21 0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.03 2k77 h SER 57 Cb 1.20 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2k77 h SER 57 CO 0.26 0.36 -0.26 1.05 -0.87 0.00 0.00 176.83 177.37 2k77 h GLU 58 N 0.65 0.42 -0.20 4.77 4.11 -1.97 0.05 114.58 122.41 2k77 h GLU 58 Ca 0.24 -0.16 -0.08 0.00 0.07 0.00 0.00 59.36 59.43 2k77 h GLU 58 Cb 0.07 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2k77 h GLU 58 CO -0.12 0.65 -0.20 0.87 0.07 0.00 0.00 179.01 180.28 2k77 h LYS 59 N 0.37 0.48 -0.21 1.06 1.57 -1.85 -1.13 116.57 116.86 2k77 h LYS 59 Ca 0.05 -0.26 -0.11 0.00 -1.87 0.00 0.00 60.65 58.46 2k77 h LYS 59 Cb 0.66 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 2k77 h LYS 59 CO 0.05 0.83 -0.31 0.82 -0.57 0.00 0.00 179.45 180.27 2k77 h ILE 60 N 0.15 1.33 -0.87 1.86 2.04 -1.31 -2.99 117.51 117.72 2k77 h ILE 60 Ca 0.03 -1.52 -0.02 0.00 1.00 0.00 0.00 64.86 64.35 2k77 h ILE 60 Cb 0.74 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.58 2k77 h ILE 60 CO 0.05 0.47 0.46 -0.61 0.00 0.00 0.00 178.15 178.52 2k77 h GLN 61 N 0.27 1.22 0.01 2.37 4.15 -1.00 -0.60 115.11 121.52 2k77 h GLN 61 Ca 0.02 -0.15 0.03 0.00 0.77 0.00 0.00 58.65 59.32 2k77 h GLN 61 Cb 0.89 -0.23 -0.04 0.00 0.21 0.00 0.00 27.48 28.31 2k77 h GLN 61 CO 0.07 0.91 -0.24 -0.22 -1.93 0.00 0.00 178.83 177.42 2k77 h LYS 62 N 1.22 -0.37 -0.09 1.69 3.64 -1.22 -0.41 116.57 121.04 2k77 h LYS 62 Ca 0.30 0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.56 2k77 h LYS 62 Cb 0.06 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2k77 h LYS 62 CO -0.05 -0.25 -0.60 0.93 -2.27 0.00 0.00 179.45 177.22 2k77 h GLU 63 N -0.38 0.29 0.78 1.90 4.39 -1.34 -1.17 114.58 119.04 2k77 h GLU 63 Ca 0.06 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 2k77 h GLU 63 Cb 0.46 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2k77 h GLU 63 CO -0.21 0.81 -0.37 0.28 -1.16 0.00 0.00 179.01 178.35 2k77 h VAL 64 N 0.22 0.15 0.00 3.13 2.07 -1.04 -3.21 116.25 117.57 2k77 h VAL 64 Ca -0.01 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 2k77 h VAL 64 Cb 1.11 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2k77 h VAL 64 CO 0.10 0.01 -0.34 -0.33 0.02 0.00 0.00 177.57 177.03 2k77 h GLU 65 N -1.16 0.00 0.00 1.57 5.08 -1.03 -1.15 114.58 117.90 2k77 h GLU 65 Ca -0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2k77 h GLU 65 Cb 0.82 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 2k77 h GLU 65 CO 0.18 0.34 -0.04 1.03 -1.00 0.00 0.00 179.01 179.51 2k77 h SER 66 N 0.00 0.00 0.14 1.42 0.87 -1.30 -1.28 113.55 113.40 2k77 h SER 66 Ca -0.00 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.20 2k77 h SER 66 Cb 0.70 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.61 2k77 h SER 66 CO 0.04 0.04 -2.16 0.18 -0.53 0.00 0.00 176.83 174.40 2k77 n LEU 67 N -4.33 1.80 -0.38 2.23 4.77 -0.55 -4.67 117.00 115.87 2k77 n LEU 67 Ca -0.03 0.11 0.05 0.00 -0.03 0.00 0.00 56.01 56.10 2k77 n LEU 67 Cb 0.13 -0.44 0.04 0.00 -2.33 0.00 0.00 43.42 40.82 2k77 n LEU 67 CO 0.33 0.71 0.41 2.30 -1.33 0.00 0.00 177.39 179.81 2k77 n ILE 68 N -3.17 0.04 0.60 -0.08 -5.35 -0.55 -4.80 119.36 106.05 2k77 n ILE 68 Ca -0.33 -0.52 0.04 0.00 -0.27 0.00 0.00 62.75 61.67 2k77 n ILE 68 Cb 1.06 1.16 0.26 0.00 -1.74 0.00 0.00 39.64 40.38 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 0.52 -0.30 0.17 3.28 0.00 -0.49 -3.39 105.19 104.98 2k77 n GLY 69 Ca 0.06 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.31 1.61 9.65 -1.87 -3.50 114.38 119.95 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 0.47 -0.10 0.41 2.80 0.00 0.00 179.97 183.55 2k77 n GLY 71 N 0.05 -2.78 2.79 2.80 0.00 -1.22 -5.06 105.19 101.78 2k77 n GLY 71 Ca -0.01 -1.35 -0.03 0.00 0.00 0.00 0.00 46.02 44.63 2k77 n GLY 71 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k77 s GLN 72 N -3.55 0.79 -0.17 1.61 -2.07 0.24 -4.98 119.66 111.53 2k77 s GLN 72 Ca 0.00 -0.72 0.01 0.00 -1.82 0.00 0.00 55.36 52.83 2k77 s GLN 72 Cb 0.00 -0.02 0.02 0.00 -1.09 0.00 0.00 33.01 31.92 2k77 s GLN 72 CO 0.00 -1.00 -0.20 -2.00 -1.32 0.00 0.00 175.29 170.78 2k77 s GLU 73 N 1.06 2.93 -0.07 9.60 2.12 -1.17 -1.16 118.70 132.00 2k77 s GLU 73 Ca 0.26 -0.81 0.08 0.00 0.36 0.00 0.00 54.97 54.87 2k77 s GLU 73 Cb 0.03 -2.50 -0.12 0.00 0.26 0.00 0.00 34.13 31.79 2k77 s GLU 73 CO -0.07 -0.18 0.08 -1.33 -0.54 0.00 0.00 175.26 173.21 2k77 n MET 74 N 4.55 1.97 -3.81 4.30 2.81 -1.26 -4.99 117.12 120.69 2k77 n MET 74 Ca -0.21 -0.03 -0.09 0.00 -1.81 0.00 0.00 57.70 55.57 2k77 n MET 74 Cb 0.50 -1.23 0.02 0.00 -0.71 0.00 0.00 33.22 31.81 2k77 n MET 74 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2k77 s SER 75 N -3.84 -0.01 0.00 7.83 1.04 -1.26 -5.04 113.70 112.42 2k77 s SER 75 Ca -0.04 -1.11 0.29 0.00 0.48 0.00 0.00 55.95 55.57 2k77 s SER 75 Cb 0.04 0.84 1.32 0.00 0.10 0.00 0.00 66.02 68.32 2k77 s SER 75 CO 0.37 -1.66 1.90 0.00 0.98 0.00 0.00 173.24 174.83 2k77 n GLN 76 N -0.53 1.37 -2.80 4.02 3.00 -1.26 -4.57 117.38 116.61 2k77 n GLN 76 Ca -0.08 -0.60 -0.42 0.00 -0.01 0.00 0.00 57.00 55.88 2k77 n GLN 76 Cb 0.60 -1.49 -0.03 0.00 0.00 0.00 0.00 30.24 29.32 2k77 n GLN 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2k77 s THR 77 N -2.04 4.79 -0.07 5.09 2.01 -1.26 -5.04 115.64 119.12 2k77 s THR 77 Ca 0.40 1.77 -0.27 0.00 0.31 0.00 0.00 61.69 63.90 2k77 s THR 77 Cb 0.21 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 2k77 s THR 77 CO 0.36 -0.08 0.88 -0.63 -0.69 0.00 0.00 174.62 174.46 2k77 s ILE 78 N 2.72 4.91 0.51 1.82 -1.09 -1.26 -4.75 121.20 124.05 2k77 s ILE 78 Ca 0.40 1.80 0.07 0.00 -2.23 0.00 0.00 60.65 60.69 2k77 s ILE 78 Cb -0.16 -4.20 0.03 0.00 -1.58 0.00 0.00 42.46 36.55 2k77 s ILE 78 CO 0.09 0.13 0.50 -1.00 -1.23 0.00 0.00 174.94 173.43 2k77 s HIS 79 N 1.37 1.96 -0.09 3.97 3.76 -0.51 -4.97 115.29 120.78 2k77 s HIS 79 Ca 0.44 -0.68 0.02 0.00 -0.15 0.00 0.00 55.06 54.69 2k77 s HIS 79 Cb -0.19 -2.09 -0.02 0.00 1.11 0.00 0.00 32.58 31.39 2k77 s HIS 79 CO 0.20 -0.54 -0.15 0.71 -0.85 0.00 0.00 174.74 174.11 2k77 s TYR 80 N -2.63 2.71 0.85 1.40 1.51 -1.26 -0.64 117.35 119.28 2k77 s TYR 80 Ca 0.46 -0.47 -0.11 0.00 -1.01 0.00 0.00 57.07 55.95 2k77 s TYR 80 Cb -0.04 -1.72 0.10 0.00 -0.11 0.00 0.00 41.96 40.19 2k77 s TYR 80 CO 0.28 -0.06 1.10 0.95 -1.11 0.00 0.00 175.55 176.72 2k77 s THR 81 N -0.15 2.85 0.41 -0.71 -4.23 -0.52 -4.81 115.64 108.47 2k77 s THR 81 Ca -0.01 0.28 0.12 0.00 -1.18 0.00 0.00 61.69 60.89 2k77 s THR 81 Cb -0.14 -2.65 0.32 0.00 1.34 0.00 0.00 72.50 71.38 2k77 s THR 81 CO 0.03 -0.36 1.95 1.55 -0.54 0.00 0.00 174.62 177.26 2k77 h PRO 82 N -1.45 0.50 -0.31 3.99 0.13 -1.99 0.42 132.00 133.29 2k77 h PRO 82 Ca -0.46 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 2k77 h PRO 82 Cb 1.26 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2k77 h PRO 82 CO 0.50 0.33 -0.20 0.00 -0.23 0.00 0.00 178.00 178.40 2k77 h ARG 83 N 0.51 0.68 -0.47 0.86 2.47 -1.92 -0.46 114.38 116.05 2k77 h ARG 83 Ca 0.32 -0.32 -0.12 0.00 -1.26 0.00 0.00 59.98 58.60 2k77 h ARG 83 Cb 0.56 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 2k77 h ARG 83 CO -0.10 0.92 -0.17 0.00 0.56 0.00 0.00 179.97 181.18 2k77 h ALA 84 N 0.74 0.65 -0.54 0.04 0.00 -1.71 -1.25 119.26 117.19 2k77 h ALA 84 Ca 0.06 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.63 2k77 h ALA 84 Cb 0.75 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2k77 h ALA 84 CO 0.06 0.60 0.33 -0.22 0.00 0.00 0.00 179.25 180.02 2k77 h LYS 85 N 0.79 0.64 -0.21 0.00 3.64 -0.88 0.09 116.57 120.64 2k77 h LYS 85 Ca 0.11 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 2k77 h LYS 85 Cb 0.74 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 2k77 h LYS 85 CO 0.06 0.42 0.02 0.87 -2.27 0.00 0.00 179.45 178.55 2k77 h LYS 86 N 0.66 0.09 -0.55 1.90 1.57 -1.00 -1.68 116.57 117.55 2k77 h LYS 86 Ca 0.21 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 2k77 h LYS 86 Cb 0.00 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 2k77 h LYS 86 CO -0.09 0.06 0.31 0.28 -0.57 0.00 0.00 179.45 179.44 2k77 h VAL 87 N 0.09 1.00 -0.40 0.50 2.07 -0.66 0.71 116.25 119.56 2k77 h VAL 87 Ca 0.10 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2k77 h VAL 87 Cb 0.11 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 2k77 h VAL 87 CO -0.15 0.11 0.24 0.40 0.02 0.00 0.00 177.57 178.19 2k77 h ILE 88 N 0.59 1.13 -0.47 4.57 1.08 -0.77 0.15 117.51 123.78 2k77 h ILE 88 Ca 0.24 -0.30 -0.12 0.00 -0.39 0.00 0.00 64.86 64.28 2k77 h ILE 88 Cb 0.10 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 2k77 h ILE 88 CO -0.14 0.13 -0.20 -0.33 -0.69 0.00 0.00 178.15 176.93 2k77 h GLU 89 N 0.53 0.95 -0.09 2.37 5.08 -1.04 -2.95 114.58 119.42 2k77 h GLU 89 Ca 0.14 -0.39 -0.10 0.00 -1.00 0.00 0.00 59.36 58.02 2k77 h GLU 89 Cb 0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2k77 h GLU 89 CO -0.03 1.05 -0.39 -0.07 -1.00 0.00 0.00 179.01 178.58 2k77 h LEU 90 N 0.83 0.20 -0.51 1.33 3.38 -0.65 -1.58 115.31 118.30 2k77 h LEU 90 Ca 0.11 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2k77 h LEU 90 Cb 0.76 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2k77 h LEU 90 CO 0.06 0.58 0.16 0.28 0.09 0.00 0.00 178.44 179.61 2k77 h SER 91 N 0.17 0.75 0.89 -0.43 0.02 -0.57 0.44 113.55 114.82 2k77 h SER 91 Ca 0.02 -0.20 -0.14 0.00 -0.84 0.00 0.00 61.79 60.62 2k77 h SER 91 Cb 0.76 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 2k77 h SER 91 CO 0.06 0.75 -0.67 0.00 -1.14 0.00 0.00 176.83 175.83 2k77 h MET 92 N 0.70 0.00 -0.34 3.45 -0.00 -1.45 -1.76 114.93 115.53 2k77 h MET 92 Ca 0.17 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.75 2k77 h MET 92 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.86 2k77 h MET 92 CO -0.01 0.67 -0.27 0.22 -0.00 0.00 0.00 176.91 177.52 2k77 h ASP 93 N 0.00 0.72 -0.41 -0.10 3.58 -1.03 0.03 116.42 119.21 2k77 h ASP 93 Ca -0.01 -0.27 -0.07 0.00 0.42 0.00 0.00 57.03 57.10 2k77 h ASP 93 Cb 1.29 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 2k77 h ASP 93 CO 0.09 0.95 -0.02 -0.33 -2.88 0.00 0.00 179.24 177.05 2k77 h GLU 94 N 0.61 0.73 -0.88 0.28 4.39 -0.88 0.08 114.58 118.91 2k77 h GLU 94 Ca 0.08 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 2k77 h GLU 94 Cb 0.77 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.31 2k77 h GLU 94 CO 0.06 0.83 0.54 0.00 -1.16 0.00 0.00 179.01 179.28 2k77 h ALA 95 N 0.88 1.31 -0.47 3.43 0.00 -1.22 -1.71 119.26 121.48 2k77 h ALA 95 Ca 0.11 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2k77 h ALA 95 Cb 0.51 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2k77 h ALA 95 CO 0.02 0.61 -0.21 -0.09 0.00 0.00 0.00 179.25 179.58 2k77 h ARG 96 N 1.20 0.97 -0.49 0.00 2.43 -0.83 -0.04 114.38 117.62 2k77 h ARG 96 Ca 0.32 -0.42 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 2k77 h ARG 96 Cb -0.08 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2k77 h ARG 96 CO -0.06 1.09 0.18 -0.22 -1.51 0.00 0.00 179.97 179.45 2k77 h LYS 97 N 0.82 0.70 0.00 0.20 1.63 -0.74 -1.69 116.57 117.49 2k77 h LYS 97 Ca 0.11 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2k77 h LYS 97 Cb 0.79 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 2k77 h LYS 97 CO 0.07 0.59 0.00 1.28 -3.45 0.00 0.00 179.45 177.94 2k77 n LEU 98 N -4.34 0.02 -1.41 5.20 4.32 -0.66 -4.94 117.00 115.18 2k77 n LEU 98 Ca 0.04 0.50 -0.14 0.00 -0.02 0.00 0.00 56.01 56.39 2k77 n LEU 98 Cb 0.16 -0.50 -0.02 0.00 -1.62 0.00 0.00 43.42 41.44 2k77 n LEU 98 CO 0.38 -0.05 -0.16 0.61 -1.22 0.00 0.00 177.39 176.95 2k77 n GLY 99 N 1.25 0.33 0.19 -0.72 0.00 -0.64 -4.94 105.19 100.67 2k77 n GLY 99 Ca 0.06 -0.33 0.11 0.00 0.00 0.00 0.00 46.02 45.86 2k77 n GLY 99 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2k77 h HIS 100 N 0.00 0.00 0.00 1.61 6.17 -1.27 -3.48 115.15 118.18 2k77 h HIS 100 Ca -0.31 0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.77 2k77 h HIS 100 Cb 1.13 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.06 2k77 h HIS 100 CO 0.37 0.06 0.00 0.43 0.71 0.00 0.00 177.93 179.51 2k77 n SER 101 N -3.04 -4.54 -3.46 3.26 7.64 -1.26 -4.91 113.62 107.31 2k77 n SER 101 Ca 0.03 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.77 2k77 n SER 101 Cb 0.56 -3.23 -0.03 0.00 -1.01 0.00 0.00 64.21 60.50 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 -1.02 -0.56 -0.41 1.43 -0.85 -1.26 -4.68 117.35 110.01 2k77 s TYR 102 Ca 0.00 0.59 -0.19 0.00 -0.52 0.00 0.00 57.07 56.94 2k77 s TYR 102 Cb 0.00 0.51 0.02 0.00 0.38 0.00 0.00 41.96 42.86 2k77 s TYR 102 CO 0.00 -0.73 0.57 0.08 -1.52 0.00 0.00 175.55 173.95 2k77 s VAL 103 N -2.78 4.93 0.77 -3.49 1.01 0.34 -4.85 120.40 116.32 2k77 s VAL 103 Ca -0.03 0.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.99 2k77 s VAL 103 Cb -0.01 -4.11 0.11 0.00 0.00 0.00 0.00 36.38 32.37 2k77 s VAL 103 CO -0.05 -0.45 1.08 -0.83 0.00 0.00 0.00 175.10 174.85 2k77 s GLY 104 N 1.89 1.73 0.31 4.51 0.00 -1.26 -1.25 107.32 113.25 2k77 s GLY 104 Ca 0.20 -1.18 0.02 0.00 0.00 0.00 0.00 44.72 43.76 2k77 s GLY 104 CO 0.16 -0.65 1.90 -0.91 0.00 0.00 0.00 173.10 173.60 2k77 h THR 105 N -0.82 1.02 -0.44 0.90 1.35 -1.93 -1.89 112.91 111.11 2k77 h THR 105 Ca -0.43 -0.34 0.07 0.00 -0.55 0.00 0.00 66.41 65.17 2k77 h THR 105 Cb 1.29 -0.05 -0.09 0.00 -1.73 0.00 0.00 68.15 67.57 2k77 h THR 105 CO 0.51 0.18 -0.46 1.05 -0.25 0.00 0.00 175.52 176.55 2k77 h GLU 106 N 0.98 -0.31 0.00 4.72 9.09 -1.94 -1.85 114.58 125.27 2k77 h GLU 106 Ca 0.41 0.02 -0.06 0.00 0.05 0.00 0.00 59.36 59.78 2k77 h GLU 106 Cb 0.29 0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.45 2k77 h GLU 106 CO -0.17 -0.21 -0.29 0.45 0.05 0.00 0.00 179.01 178.85 2k77 h HIS 107 N -0.32 0.00 -0.37 2.06 3.86 -1.72 -1.62 115.15 117.02 2k77 h HIS 107 Ca 0.13 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 2k77 h HIS 107 Cb 0.58 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 2k77 h HIS 107 CO -0.66 0.29 0.14 0.82 0.86 0.00 0.00 177.93 179.38 2k77 h ILE 108 N 0.00 1.20 -0.39 2.45 2.04 -0.78 -0.77 117.51 121.25 2k77 h ILE 108 Ca -0.00 -0.61 -0.08 0.00 1.00 0.00 0.00 64.86 65.17 2k77 h ILE 108 Cb 0.56 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2k77 h ILE 108 CO 0.04 0.22 -0.08 0.25 0.00 0.00 0.00 178.15 178.58 2k77 h LEU 109 N 0.46 0.64 -1.47 1.44 5.85 -0.83 -0.35 115.31 121.05 2k77 h LEU 109 Ca 0.12 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 2k77 h LEU 109 Cb 0.20 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2k77 h LEU 109 CO -0.01 0.76 0.12 -0.07 -0.34 0.00 0.00 178.44 178.90 2k77 h LEU 110 N 0.62 0.42 -0.26 2.25 3.38 -1.12 -1.83 115.31 118.78 2k77 h LEU 110 Ca 0.11 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2k77 h LEU 110 Cb 0.50 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2k77 h LEU 110 CO 0.03 0.40 -0.12 1.23 0.09 0.00 0.00 178.44 180.07 2k77 h GLY 111 N 0.65 0.58 0.95 0.83 0.00 -0.40 -2.57 103.07 103.11 2k77 h GLY 111 Ca 0.12 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 46.94 2k77 h GLY 111 CO -0.01 0.47 0.34 1.41 0.00 0.00 0.00 176.54 178.75 2k77 h LEU 112 N 0.26 0.57 -0.30 3.11 3.38 -0.72 -2.23 115.31 119.39 2k77 h LEU 112 Ca 0.06 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2k77 h LEU 112 Cb 0.63 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2k77 h LEU 112 CO 0.04 0.41 -0.29 0.16 0.09 0.00 0.00 178.44 178.84 2k77 h ILE 113 N 0.68 1.30 -0.27 1.22 3.07 -1.44 -3.30 117.51 118.76 2k77 h ILE 113 Ca 0.20 -1.46 -0.02 0.00 1.55 0.00 0.00 64.86 65.14 2k77 h ILE 113 Cb -0.04 1.56 -0.01 0.00 -0.27 0.00 0.00 36.82 38.06 2k77 h ILE 113 CO -0.07 0.47 0.10 -0.09 -1.05 0.00 0.00 178.15 177.51 2k77 h ARG 114 N 0.47 0.38 -0.54 0.16 9.65 -1.23 -2.76 114.38 120.52 2k77 h ARG 114 Ca 0.05 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2k77 h ARG 114 Cb 0.86 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.34 2k77 h ARG 114 CO 0.07 0.33 0.28 1.49 2.80 0.00 0.00 179.97 184.94 2k77 h GLU 115 N 0.38 0.76 0.00 0.20 4.22 -1.49 -3.47 114.58 115.18 2k77 h GLU 115 Ca 0.10 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2k77 h GLU 115 Cb 0.10 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2k77 h GLU 115 CO -0.01 0.60 0.00 0.41 -2.18 0.00 0.00 179.01 177.84 2k77 n GLY 116 N -0.98 2.34 0.00 1.92 0.00 -1.04 -4.72 105.19 102.71 2k77 n GLY 116 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.00 2.06 -0.72 1.61 1.02 -1.26 -4.87 120.64 116.48 2k77 n GLU 117 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 2k77 n GLU 117 Cb 0.00 -0.92 0.16 0.00 -0.02 0.00 0.00 31.44 30.66 2k77 n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k77 n GLY 118 N 2.31 -0.80 0.36 0.62 0.00 -1.26 -4.84 105.19 101.58 2k77 n GLY 118 Ca 0.00 -0.72 0.09 0.00 0.00 0.00 0.00 46.02 45.39 2k77 n GLY 118 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k77 h VAL 119 N -1.79 0.95 -0.52 1.61 2.07 -1.98 -2.55 116.25 114.05 2k77 h VAL 119 Ca -0.43 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 66.90 2k77 h VAL 119 Cb 1.27 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 2k77 h VAL 119 CO 0.39 0.12 0.25 0.00 0.02 0.00 0.00 177.57 178.36 2k77 h ALA 120 N 1.61 0.66 -0.54 1.67 0.00 -1.92 0.10 119.26 120.85 2k77 h ALA 120 Ca 0.35 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 2k77 h ALA 120 Cb 0.45 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2k77 h ALA 120 CO -0.13 -0.10 0.12 0.00 0.00 0.00 0.00 179.25 179.14 2k77 h ALA 121 N 1.29 1.19 -0.33 0.00 0.00 -1.65 -1.93 119.26 117.83 2k77 h ALA 121 Ca 0.23 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 2k77 h ALA 121 Cb 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2k77 h ALA 121 CO -0.17 0.55 -0.41 0.00 0.00 0.00 0.00 179.25 179.22 2k77 h ARG 122 N 0.80 0.86 -0.12 0.00 3.08 -1.30 -2.17 114.38 115.54 2k77 h ARG 122 Ca 0.17 -0.48 0.03 0.00 0.07 0.00 0.00 59.98 59.77 2k77 h ARG 122 Cb 0.31 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 2k77 h ARG 122 CO 0.00 1.13 -0.05 0.28 -1.07 0.00 0.00 179.97 180.26 2k77 h VAL 123 N 0.65 0.83 -0.54 2.04 2.07 -0.68 0.04 116.25 120.66 2k77 h VAL 123 Ca 0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.58 2k77 h VAL 123 Cb 1.01 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 2k77 h VAL 123 CO 0.10 0.00 0.35 -0.07 0.02 0.00 0.00 177.57 177.96 2k77 h LEU 124 N -0.04 0.59 -0.98 2.57 3.38 -1.34 -1.94 115.31 117.55 2k77 h LEU 124 Ca 0.06 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 2k77 h LEU 124 Cb 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2k77 h LEU 124 CO -0.14 0.42 -0.49 0.78 0.09 0.00 0.00 178.44 179.09 2k77 h ASN 125 N 0.70 0.04 -0.63 -0.43 2.35 -1.16 0.63 115.58 117.08 2k77 h ASN 125 Ca 0.21 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.85 2k77 h ASN 125 Cb -0.04 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 2k77 h ASN 125 CO -0.07 0.53 0.05 0.78 -1.65 0.00 0.00 177.43 177.07 2k77 h ASN 126 N 0.03 1.04 0.61 5.81 4.21 -0.65 -3.24 115.58 123.40 2k77 h ASN 126 Ca -0.00 -0.29 -0.21 0.00 1.21 0.00 0.00 56.30 57.01 2k77 h ASN 126 Cb 0.89 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.80 2k77 h ASN 126 CO 0.07 1.07 -0.95 -0.07 -1.29 0.00 0.00 177.43 176.25 2k77 h LEU 127 N 0.98 0.28 0.00 1.61 3.38 -1.06 -3.48 115.31 117.02 2k77 h LEU 127 Ca 0.18 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2k77 h LEU 127 Cb 0.51 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2k77 h LEU 127 CO 0.02 1.08 0.00 0.61 0.09 0.00 0.00 178.44 180.24 2k77 n GLY 128 N 1.03 -0.01 3.81 0.83 0.00 -0.13 -5.10 105.19 105.63 2k77 n GLY 128 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.99 4.47 0.25 1.61 1.01 0.03 -4.94 120.40 121.84 2k77 s VAL 129 Ca 0.00 1.42 0.01 0.00 0.00 0.00 0.00 61.98 63.41 2k77 s VAL 129 Cb 0.00 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 2k77 s VAL 129 CO 0.00 0.14 0.12 -0.55 0.00 0.00 0.00 175.10 174.81 2k77 s SER 130 N -1.70 0.94 0.22 3.32 0.15 -1.26 -2.73 113.70 112.64 2k77 s SER 130 Ca 0.46 -1.42 -0.08 0.00 0.70 0.00 0.00 55.95 55.62 2k77 s SER 130 Cb -0.16 0.26 0.35 0.00 -1.71 0.00 0.00 66.02 64.75 2k77 s SER 130 CO 0.21 -0.79 1.73 -0.07 1.20 0.00 0.00 173.24 175.53 2k77 h LEU 131 N 2.42 0.21 -0.59 3.45 4.07 -1.98 -1.27 115.31 121.63 2k77 h LEU 131 Ca -0.37 0.09 -0.15 0.00 0.08 0.00 0.00 57.88 57.54 2k77 h LEU 131 Cb 1.25 0.08 -0.01 0.00 1.08 0.00 0.00 40.66 43.06 2k77 h LEU 131 CO 0.57 0.11 -0.45 0.78 -1.08 0.00 0.00 178.44 178.36 2k77 h ASN 132 N 0.40 0.65 -0.17 -0.43 2.35 -1.98 -0.10 115.58 116.30 2k77 h ASN 132 Ca 0.35 -0.31 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 2k77 h ASN 132 Cb 0.48 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 2k77 h ASN 132 CO -0.36 1.01 -0.04 0.11 -1.65 0.00 0.00 177.43 176.50 2k77 h LYS 133 N 0.48 0.33 -0.22 0.81 1.57 -1.79 -1.17 116.57 116.58 2k77 h LYS 133 Ca 0.03 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2k77 h LYS 133 Cb 0.98 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 2k77 h LYS 133 CO 0.09 0.60 0.10 0.00 -0.57 0.00 0.00 179.45 179.66 2k77 h ALA 134 N 0.72 0.28 -0.05 3.86 0.00 -1.24 -2.46 119.26 120.37 2k77 h ALA 134 Ca 0.04 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2k77 h ALA 134 Cb 0.48 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2k77 h ALA 134 CO 0.02 -0.14 -0.15 0.00 0.00 0.00 0.00 179.25 178.97 2k77 h ARG 135 N 0.21 -0.22 -0.74 0.00 3.08 -0.99 -0.56 114.38 115.16 2k77 h ARG 135 Ca 0.07 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 2k77 h ARG 135 Cb 0.14 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 2k77 h ARG 135 CO -0.01 -0.14 0.37 0.37 -1.07 0.00 0.00 179.97 179.49 2k77 h GLN 136 N -0.23 1.06 -0.26 0.04 5.75 -1.14 0.14 115.11 120.47 2k77 h GLN 136 Ca 0.07 -0.15 -0.13 0.00 -0.15 0.00 0.00 58.65 58.29 2k77 h GLN 136 Cb 0.32 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.67 2k77 h GLN 136 CO -0.18 0.82 -0.34 1.96 -2.65 0.00 0.00 178.83 178.44 2k77 h GLN 137 N 1.04 0.69 -0.29 1.69 1.08 -1.32 -2.38 115.11 115.62 2k77 h GLN 137 Ca 0.26 -0.39 -0.08 0.00 -1.45 0.00 0.00 58.65 56.99 2k77 h GLN 137 Cb 0.10 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 2k77 h GLN 137 CO -0.03 1.01 -0.12 0.28 -0.95 0.00 0.00 178.83 179.02 2k77 h VAL 138 N 0.41 1.29 0.00 -0.54 2.07 -0.85 0.09 116.25 118.73 2k77 h VAL 138 Ca 0.03 -1.20 -0.06 0.00 0.82 0.00 0.00 66.70 66.30 2k77 h VAL 138 Cb 0.92 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 2k77 h VAL 138 CO 0.08 0.38 -0.27 -0.07 0.02 0.00 0.00 177.57 177.71 2k77 h LEU 139 N 0.33 0.00 0.09 2.57 3.38 -0.79 -1.53 115.31 119.36 2k77 h LEU 139 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2k77 h LEU 139 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2k77 h LEU 139 CO 0.04 0.27 -0.04 1.56 0.09 0.00 0.00 178.44 180.36 2k77 h GLN 140 N 0.00 -0.12 0.00 1.13 4.20 -1.35 -3.40 115.11 115.57 2k77 h GLN 140 Ca -0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2k77 h GLN 140 Cb 0.57 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.38 2k77 h GLN 140 CO 0.04 0.26 0.00 1.25 -0.67 0.00 0.00 178.83 179.71 2k77 h LEU 141 N -0.98 0.00 -0.18 1.46 5.85 -0.77 0.11 115.31 120.81 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 0.43 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2k77 h LEU 141 CO 0.02 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.12 2k77 n LEU 142 N -3.06 0.11 0.00 2.25 -0.00 -0.59 -4.69 117.00 111.02 2k77 n LEU 142 Ca -0.00 0.54 0.00 0.00 -0.00 0.00 0.00 56.01 56.54 2k77 n LEU 142 Cb 0.24 -0.53 0.00 0.00 -0.00 0.00 0.00 43.42 43.12 2k77 n LEU 142 CO 0.25 -0.42 0.00 0.61 -0.00 0.00 0.00 177.39 177.83 2k77 n GLY 143 N -0.59 -0.02 0.45 1.47 0.00 -1.05 -5.04 105.19 100.42 2k77 n GLY 143 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 2k77 n GLY 143 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k77 n SER 144 N 0.00 1.93 0.00 1.61 7.64 0.20 -5.13 113.62 119.87 2k77 n SER 144 Ca 0.00 -1.46 0.13 0.00 1.01 0.00 0.00 58.87 58.55 2k77 n SER 144 Cb 0.00 0.52 0.77 0.00 -1.01 0.00 0.00 64.21 64.49 2k77 n SER 144 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83