#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m58 s GLN 2 N 0.00 0.04 0.24 2.12 0.00 -1.26 -5.10 119.66 115.70 1m58 s GLN 2 Ca 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 55.36 55.36 1m58 s GLN 2 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 33.01 33.03 1m58 s GLN 2 CO 0.00 -0.02 0.03 0.09 0.00 0.00 0.00 175.29 175.39 1m58 n ASN 3 N 0.07 2.08 0.05 12.60 4.13 -1.26 -4.96 115.26 127.97 1m58 n ASN 3 Ca 0.04 -2.13 0.21 0.00 1.68 0.00 0.00 54.58 54.38 1m58 n ASN 3 Cb 0.57 0.32 0.73 0.00 -1.54 0.00 0.00 39.78 39.85 1m58 n ASN 3 CO 0.00 0.00 0.00 -0.25 0.28 0.00 0.00 177.26 177.29 1m58 h TRP 4 N 1.22 0.00 0.16 3.10 -0.00 -1.93 -0.82 115.95 117.68 1m58 h TRP 4 Ca -0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.69 1m58 h TRP 4 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.81 1m58 h TRP 4 CO 0.00 0.00 -0.08 0.93 -0.00 0.00 0.00 178.44 179.29 1m58 h GLU 5 N 0.00 -0.20 -0.23 2.65 5.08 -1.95 -1.48 114.58 118.44 1m58 h GLU 5 Ca 0.23 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.67 1m58 h GLU 5 Cb 1.24 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1m58 h GLU 5 CO -0.00 -0.14 0.16 1.15 -1.00 0.00 0.00 179.01 179.19 1m58 h THR 6 N -0.30 0.88 0.22 1.13 2.02 -1.86 -2.26 112.91 112.74 1m58 h THR 6 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1m58 h THR 6 Cb 0.16 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1m58 h THR 6 CO 0.04 0.00 -0.11 0.15 0.37 0.00 0.00 175.52 175.97 1m58 h PHE 7 N 0.00 -0.28 -0.29 3.16 3.04 -1.17 -2.74 116.94 118.67 1m58 h PHE 7 Ca 0.11 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.14 1m58 h PHE 7 Cb 0.43 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.02 1m58 h PHE 7 CO 0.00 0.03 0.21 1.96 -2.02 0.00 0.00 178.31 178.49 1m58 h GLN 8 N -0.58 0.00 0.57 1.11 4.20 -0.70 0.22 115.11 119.93 1m58 h GLN 8 Ca -0.03 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1m58 h GLN 8 Cb 0.43 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.21 1m58 h GLN 8 CO 0.05 0.00 -0.27 0.87 -0.67 0.00 0.00 178.83 178.81 1m58 h LYS 9 N 0.00 -0.73 0.00 1.46 1.79 -1.19 -1.56 116.57 116.34 1m58 h LYS 9 Ca 0.14 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 1m58 h LYS 9 Cb 0.56 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 1m58 h LYS 9 CO -0.00 -0.43 -0.45 0.87 -1.08 0.00 0.00 179.45 178.36 1m58 h LYS 10 N -1.06 0.00 -0.00 3.15 1.79 -1.26 -3.36 116.57 115.83 1m58 h LYS 10 Ca -0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1m58 h LYS 10 Cb 0.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1m58 h LYS 10 CO 0.13 0.00 -0.56 0.72 -1.08 0.00 0.00 179.45 178.66 1m58 n HIS 11 N -2.33 0.00 -4.17 -1.35 8.25 0.77 -4.37 115.22 112.01 1m58 n HIS 11 Ca 0.03 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.33 1m58 n HIS 11 Cb 0.46 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.42 1m58 n HIS 11 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1m58 s LEU 12 N -2.47 1.95 0.34 2.41 1.02 -0.59 -0.36 118.68 120.99 1m58 s LEU 12 Ca 0.07 -0.10 0.04 0.00 0.02 0.00 0.00 54.13 54.16 1m58 s LEU 12 Cb 0.11 -0.30 -0.06 0.00 0.02 0.00 0.00 46.19 45.96 1m58 s LEU 12 CO 0.52 0.06 0.06 -0.89 0.02 0.00 0.00 176.35 176.12 1m58 s THR 13 N -0.04 1.16 -0.20 5.49 2.01 0.78 -4.60 115.64 120.24 1m58 s THR 13 Ca 0.01 -2.00 0.13 0.00 0.31 0.00 0.00 61.69 60.14 1m58 s THR 13 Cb -0.03 -2.75 0.41 0.00 0.01 0.00 0.00 72.50 70.14 1m58 s THR 13 CO -0.00 0.00 1.27 0.47 -0.69 0.00 0.00 174.62 175.67 1m58 n ASP 14 N -0.77 2.27 -3.80 3.53 9.92 -1.26 -3.65 116.55 122.79 1m58 n ASP 14 Ca -0.03 -3.56 -0.13 0.00 -0.53 0.00 0.00 54.79 50.54 1m58 n ASP 14 Cb 0.66 -0.53 -0.14 0.00 -0.64 0.00 0.00 41.12 40.48 1m58 n ASP 14 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1m58 s THR 15 N -3.10 -0.02 -1.09 -3.53 -4.23 -1.26 -5.02 115.64 97.39 1m58 s THR 15 Ca 0.38 0.07 0.13 0.00 -1.18 0.00 0.00 61.69 61.09 1m58 s THR 15 Cb 0.35 -0.19 0.54 0.00 1.34 0.00 0.00 72.50 74.54 1m58 s THR 15 CO -0.01 0.03 1.39 -2.11 -0.54 0.00 0.00 174.62 173.38 1m58 n ARG 16 N 3.47 3.17 -1.36 3.99 1.85 -1.26 -3.96 116.66 122.56 1m58 n ARG 16 Ca -0.18 -2.12 0.00 0.00 -1.00 0.00 0.00 57.85 54.55 1m58 n ARG 16 Cb 0.56 -1.79 0.10 0.00 -1.05 0.00 0.00 32.46 30.28 1m58 n ARG 16 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1m58 n ASP 17 N 0.70 1.97 -4.44 2.89 8.00 -1.26 -5.09 116.55 119.32 1m58 n ASP 17 Ca 0.19 -3.07 -0.33 0.00 0.71 0.00 0.00 54.79 52.29 1m58 n ASP 17 Cb 0.74 -0.42 0.11 0.00 -0.02 0.00 0.00 41.12 41.53 1m58 n ASP 17 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1m58 n VAL 18 N -0.49 0.33 -4.44 2.53 0.31 -1.25 -5.04 118.33 110.28 1m58 n VAL 18 Ca 0.17 -0.22 -0.22 0.00 -0.01 0.00 0.00 64.34 64.07 1m58 n VAL 18 Cb 0.89 -0.66 -0.06 0.00 -0.91 0.00 0.00 33.84 33.10 1m58 n VAL 18 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1m58 n LYS 19 N -1.64 0.73 0.00 5.55 4.01 -1.26 -5.05 118.16 120.50 1m58 n LYS 19 Ca 0.07 -2.81 0.00 0.00 -0.51 0.00 0.00 58.31 55.06 1m58 n LYS 19 Cb 0.53 1.36 0.00 0.00 -0.51 0.00 0.00 35.03 36.41 1m58 n LYS 19 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1m58 h ASP 21 N 0.00 -0.20 0.62 0.00 1.82 -1.87 -1.07 116.42 115.71 1m58 h ASP 21 Ca 0.00 0.01 -0.19 0.00 -0.39 0.00 0.00 57.03 56.46 1m58 h ASP 21 Cb 0.60 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.65 1m58 h ASP 21 CO 0.00 -0.13 -0.85 0.00 -1.61 0.00 0.00 179.24 176.66 1m58 h ALA 22 N -1.85 0.57 0.61 -0.78 0.00 -1.91 -2.49 119.26 113.41 1m58 h ALA 22 Ca -0.02 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.14 1m58 h ALA 22 Cb 0.18 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1m58 h ALA 22 CO 0.04 0.93 -0.30 1.49 0.00 0.00 0.00 179.25 181.41 1m58 h GLU 23 N 0.09 -0.80 -0.31 0.00 4.22 -1.78 -3.24 114.58 112.77 1m58 h GLU 23 Ca -0.03 0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.43 1m58 h GLU 23 Cb 1.47 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.88 1m58 h GLU 23 CO 0.12 -0.53 0.05 0.52 -2.18 0.00 0.00 179.01 177.00 1m58 h MET 24 N -1.14 0.45 -0.16 1.92 2.86 -1.32 -2.24 114.93 115.30 1m58 h MET 24 Ca -0.08 -0.07 0.05 0.00 -2.06 0.00 0.00 59.70 57.53 1m58 h MET 24 Cb 0.63 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1m58 h MET 24 CO 0.14 0.44 0.34 -0.22 1.06 0.00 0.00 176.91 178.67 1m58 h LYS 25 N 0.45 0.00 -6.84 1.72 3.11 -1.47 0.84 116.57 114.38 1m58 h LYS 25 Ca 0.10 0.00 -0.57 0.00 -2.81 0.00 0.00 60.65 57.38 1m58 h LYS 25 Cb 0.21 0.00 0.16 0.00 -1.00 0.00 0.00 32.23 31.60 1m58 h LYS 25 CO 0.00 0.00 0.21 1.17 -2.81 0.00 0.00 179.45 178.02 1m58 n LYS 26 N -3.28 1.09 0.21 1.90 3.00 -0.84 -4.31 118.16 115.92 1m58 n LYS 26 Ca 0.02 0.41 0.16 0.00 -0.00 0.00 0.00 58.31 58.90 1m58 n LYS 26 Cb 0.44 -2.22 0.83 0.00 0.00 0.00 0.00 35.03 34.08 1m58 n LYS 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1m58 h ALA 27 N 0.78 1.81 -0.27 3.14 0.00 -1.90 0.88 119.26 123.69 1m58 h ALA 27 Ca -0.48 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.47 1m58 h ALA 27 Cb 1.35 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1m58 h ALA 27 CO 0.53 -0.25 0.19 1.25 0.00 0.00 0.00 179.25 180.96 1m58 h LEU 28 N 0.00 0.12 0.00 0.00 5.85 -1.88 -3.30 115.31 116.11 1m58 h LEU 28 Ca 0.08 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1m58 h LEU 28 Cb 0.41 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1m58 h LEU 28 CO -0.00 0.08 -0.90 0.49 -0.34 0.00 0.00 178.44 177.77 1m58 n PHE 29 N -4.48 0.00 -3.21 1.25 3.72 -0.45 -5.05 117.46 109.24 1m58 n PHE 29 Ca 0.03 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.28 1m58 n PHE 29 Cb 0.25 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.86 1m58 n PHE 29 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1m58 n ASP 30 N -2.14 -2.81 -3.45 4.37 -0.08 0.29 -3.19 116.55 109.54 1m58 n ASP 30 Ca 0.00 -0.49 -0.19 0.00 -1.51 0.00 0.00 54.79 52.60 1m58 n ASP 30 Cb 0.45 -4.23 0.06 0.00 2.34 0.00 0.00 41.12 39.74 1m58 n ASP 30 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1m58 s LYS 32 N -5.18 4.27 0.00 0.00 1.02 -1.19 -4.97 119.74 113.68 1m58 s LYS 32 Ca 0.27 2.31 0.00 0.00 0.02 0.00 0.00 55.97 58.57 1m58 s LYS 32 Cb -0.05 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 1m58 s LYS 32 CO 0.77 -0.39 0.65 1.04 -0.92 0.00 0.00 175.35 176.50 1m58 n GLN 33 N 1.84 0.00 -3.74 1.68 3.00 -1.26 -4.65 117.38 114.25 1m58 n GLN 33 Ca 0.05 0.22 -0.36 0.00 -0.01 0.00 0.00 57.00 56.91 1m58 n GLN 33 Cb 0.40 -1.15 -0.09 0.00 0.00 0.00 0.00 30.24 29.41 1m58 n GLN 33 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1m58 s LYS 34 N -1.59 4.09 -0.21 -1.09 1.02 -1.26 -2.89 119.74 117.80 1m58 s LYS 34 Ca 0.00 -0.27 -0.04 0.00 0.02 0.00 0.00 55.97 55.68 1m58 s LYS 34 Cb 0.00 -3.44 0.11 0.00 -0.52 0.00 0.00 37.83 33.98 1m58 s LYS 34 CO 0.00 0.18 0.33 1.21 -0.92 0.00 0.00 175.35 176.14 1m58 s ASN 35 N 0.70 0.47 -0.45 2.83 3.04 -0.98 -5.03 114.94 115.52 1m58 s ASN 35 Ca 0.07 0.28 -0.16 0.00 0.04 0.00 0.00 52.86 53.08 1m58 s ASN 35 Cb -0.12 0.90 0.05 0.00 -1.54 0.00 0.00 41.25 40.53 1m58 s ASN 35 CO 0.01 -0.29 0.42 -0.89 -3.04 0.00 0.00 177.10 173.32 1m58 s THR 36 N 2.48 5.15 0.21 -5.21 2.01 -1.26 -0.62 115.64 118.40 1m58 s THR 36 Ca 0.07 -0.72 0.05 0.00 0.31 0.00 0.00 61.69 61.40 1m58 s THR 36 Cb -0.14 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 1m58 s THR 36 CO -0.13 -0.53 0.31 -0.36 -0.69 0.00 0.00 174.62 173.22 1m58 s PHE 37 N 1.93 3.40 0.28 4.92 0.08 0.59 -4.48 117.98 124.70 1m58 s PHE 37 Ca 0.08 0.00 0.08 0.00 0.12 0.00 0.00 56.93 57.21 1m58 s PHE 37 Cb -0.21 -1.57 -0.06 0.00 -0.57 0.00 0.00 43.02 40.62 1m58 s PHE 37 CO 0.10 0.47 -0.10 0.42 -0.10 0.00 0.00 175.22 176.01 1m58 s ILE 38 N -1.93 1.90 -0.32 0.64 1.01 0.52 -1.23 121.20 121.79 1m58 s ILE 38 Ca 0.34 -2.20 0.03 0.00 0.00 0.00 0.00 60.65 58.82 1m58 s ILE 38 Cb -0.09 -2.38 0.09 0.00 0.01 0.00 0.00 42.46 40.08 1m58 s ILE 38 CO 0.28 -0.36 0.03 -0.47 0.00 0.00 0.00 174.94 174.43 1m58 s TYR 39 N -2.85 3.22 0.11 3.97 5.04 -0.68 -0.16 117.35 126.00 1m58 s TYR 39 Ca 0.29 -2.59 -0.24 0.00 -2.44 0.00 0.00 57.07 52.08 1m58 s TYR 39 Cb 0.01 -2.48 0.08 0.00 0.35 0.00 0.00 41.96 39.93 1m58 s TYR 39 CO 0.12 -0.91 1.13 0.00 -1.34 0.00 0.00 175.55 174.54 1m58 s ALA 40 N 1.10 -1.90 0.37 3.97 0.00 -1.24 -4.00 121.76 120.06 1m58 s ALA 40 Ca 0.07 -0.20 0.07 0.00 0.00 0.00 0.00 51.96 51.90 1m58 s ALA 40 Cb -0.19 0.80 -0.00 0.00 0.00 0.00 0.00 23.12 23.73 1m58 s ALA 40 CO -0.11 -1.09 0.50 1.03 0.00 0.00 0.00 175.76 176.09 1m58 s ARG 41 N -2.12 2.99 -0.09 0.00 3.00 -1.26 -4.69 118.95 116.78 1m58 s ARG 41 Ca 0.24 -1.12 -0.11 0.00 0.00 0.00 0.00 55.73 54.75 1m58 s ARG 41 Cb -0.02 -2.78 -0.08 0.00 0.00 0.00 0.00 34.95 32.07 1m58 s ARG 41 CO 0.03 -0.07 0.36 -1.00 0.00 0.00 0.00 175.30 174.62 1m58 h PRO 42 N 0.81 -0.11 0.00 3.54 0.13 -1.99 -2.99 132.00 131.40 1m58 h PRO 42 Ca -0.43 0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1m58 h PRO 42 Cb 1.27 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 1m58 h PRO 42 CO 0.50 0.17 -0.07 0.78 -0.23 0.00 0.00 178.00 179.14 1m58 h GLY 43 N -1.00 0.00 1.70 1.56 0.00 -1.98 0.11 103.07 103.46 1m58 h GLY 43 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.11 1m58 h GLY 43 CO 0.02 0.00 -0.91 -0.09 0.00 0.00 0.00 176.54 175.56 1m58 h ARG 44 N 0.00 0.26 0.00 4.80 2.43 -1.98 -3.13 114.38 116.75 1m58 h ARG 44 Ca -0.00 -0.29 -0.24 0.00 -0.81 0.00 0.00 59.98 58.64 1m58 h ARG 44 Cb 0.19 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 1m58 h ARG 44 CO 0.01 1.01 -1.44 0.28 -1.51 0.00 0.00 179.97 178.31 1m58 h VAL 45 N 0.15 0.97 -0.73 0.20 2.07 -1.24 -3.33 116.25 114.33 1m58 h VAL 45 Ca -0.06 -2.70 -0.01 0.00 0.82 0.00 0.00 66.70 64.75 1m58 h VAL 45 Cb 1.54 2.44 -0.04 0.00 -1.52 0.00 0.00 31.29 33.71 1m58 h VAL 45 CO 0.14 0.55 0.43 1.56 0.02 0.00 0.00 177.57 180.27 1m58 h GLN 46 N 0.00 1.00 -0.66 1.57 1.08 -0.84 -1.85 115.11 115.40 1m58 h GLN 46 Ca -0.19 -0.09 0.10 0.00 -1.45 0.00 0.00 58.65 57.01 1m58 h GLN 46 Cb 1.85 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 29.04 1m58 h GLN 46 CO 0.08 0.71 0.44 0.00 -0.95 0.00 0.00 178.83 179.11 1m58 h ALA 47 N 1.46 1.93 0.00 3.87 0.00 -1.66 0.63 119.26 125.49 1m58 h ALA 47 Ca 0.26 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1m58 h ALA 47 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1m58 h ALA 47 CO -0.05 -0.08 -0.56 1.25 0.00 0.00 0.00 179.25 179.82 1m58 h LEU 48 N 0.51 0.00 -3.15 0.00 5.85 -1.52 -3.22 115.31 113.79 1m58 h LEU 48 Ca 0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1m58 h LEU 48 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1m58 h LEU 48 CO -0.10 0.56 0.00 0.00 -0.34 0.00 0.00 178.44 178.56 1m58 n LYS 50 N -0.70 2.31 0.00 0.00 3.00 0.20 -3.55 118.16 119.42 1m58 n LYS 50 Ca 0.18 -3.14 0.00 0.00 -0.00 0.00 0.00 58.31 55.36 1m58 n LYS 50 Cb 0.76 -2.15 0.00 0.00 0.00 0.00 0.00 35.03 33.65 1m58 n LYS 50 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1m58 n ASN 51 N -1.09 0.19 -4.21 3.14 0.23 -1.26 -5.03 115.26 107.24 1m58 n ASN 51 Ca 0.56 -0.54 -0.19 0.00 -0.53 0.00 0.00 54.58 53.87 1m58 n ASN 51 Cb 1.34 0.31 -0.12 0.00 -2.08 0.00 0.00 39.78 39.23 1m58 n ASN 51 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1m58 s ILE 52 N -0.31 1.27 0.06 1.53 1.01 -1.26 -5.07 121.20 118.43 1m58 s ILE 52 Ca 0.00 -1.44 -0.01 0.00 0.00 0.00 0.00 60.65 59.21 1m58 s ILE 52 Cb 0.00 -1.26 -0.00 0.00 0.01 0.00 0.00 42.46 41.21 1m58 s ILE 52 CO 0.00 -0.24 -0.01 -0.38 0.00 0.00 0.00 174.94 174.31 1m58 n ILE 53 N 1.08 0.91 -0.32 2.92 5.41 -1.26 -2.04 119.36 126.07 1m58 n ILE 53 Ca -0.20 0.28 -0.25 0.00 1.00 0.00 0.00 62.75 63.59 1m58 n ILE 53 Cb 0.55 -1.59 0.24 0.00 -0.71 0.00 0.00 39.64 38.12 1m58 n ILE 53 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1m58 n VAL 54 N -3.40 0.00 -2.51 1.39 0.24 -1.26 0.46 118.33 113.25 1m58 n VAL 54 Ca -0.01 -0.07 -0.43 0.00 -2.04 0.00 0.00 64.34 61.79 1m58 n VAL 54 Cb 0.16 -0.88 -0.02 0.00 -1.47 0.00 0.00 33.84 31.63 1m58 n VAL 54 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1m58 s SER 55 N -3.09 6.66 0.10 -1.34 0.01 -1.26 -4.19 113.70 110.59 1m58 s SER 55 Ca 0.56 0.87 -0.06 0.00 1.31 0.00 0.00 55.95 58.63 1m58 s SER 55 Cb -0.09 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 1m58 s SER 55 CO 0.46 -1.15 0.15 -0.75 0.41 0.00 0.00 173.24 172.36 1m58 s LYS 56 N 4.27 0.87 -0.18 12.44 2.20 -1.02 -4.99 119.74 133.33 1m58 s LYS 56 Ca 0.52 -1.10 -0.08 0.00 -0.36 0.00 0.00 55.97 54.95 1m58 s LYS 56 Cb -0.12 0.31 -0.04 0.00 -1.51 0.00 0.00 37.83 36.47 1m58 s LYS 56 CO 0.26 -0.27 0.08 0.54 -0.36 0.00 0.00 175.35 175.60 1m58 s ASN 57 N -2.91 5.79 0.03 1.43 2.20 -1.26 0.09 114.94 120.31 1m58 s ASN 57 Ca 0.10 0.13 0.07 0.00 -0.94 0.00 0.00 52.86 52.23 1m58 s ASN 57 Cb 0.05 -1.99 -0.02 0.00 -2.00 0.00 0.00 41.25 37.29 1m58 s ASN 57 CO -0.07 0.19 -0.22 0.54 -2.94 0.00 0.00 177.10 174.60 1m58 s VAL 58 N 0.28 1.75 -0.21 3.54 0.11 -0.35 -4.92 120.40 120.61 1m58 s VAL 58 Ca 0.05 -1.18 -0.03 0.00 -2.93 0.00 0.00 61.98 57.89 1m58 s VAL 58 Cb -0.12 -1.51 -0.00 0.00 -1.53 0.00 0.00 36.38 33.22 1m58 s VAL 58 CO -0.00 0.29 -0.07 -0.76 -3.33 0.00 0.00 175.10 171.23 1m58 s LEU 59 N -1.06 2.78 -0.13 2.54 1.43 -1.26 -1.98 118.68 121.01 1m58 s LEU 59 Ca 0.08 -0.42 -0.34 0.00 -1.03 0.00 0.00 54.13 52.42 1m58 s LEU 59 Cb -0.09 -1.70 -0.11 0.00 0.03 0.00 0.00 46.19 44.32 1m58 s LEU 59 CO 0.01 -0.01 1.94 -1.54 0.23 0.00 0.00 176.35 176.99 1m58 n SER 60 N 4.70 3.30 0.15 2.29 3.41 -0.65 -4.84 113.62 121.97 1m58 n SER 60 Ca -0.19 0.85 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 1m58 n SER 60 Cb 0.51 -1.37 0.23 0.00 -0.26 0.00 0.00 64.21 63.32 1m58 n SER 60 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1m58 h THR 61 N 5.78 1.36 -2.91 6.66 2.02 -1.97 -3.42 112.91 120.43 1m58 h THR 61 Ca -0.46 -1.85 -0.66 0.00 0.77 0.00 0.00 66.41 64.21 1m58 h THR 61 Cb 1.27 2.00 -0.10 0.00 -1.74 0.00 0.00 68.15 69.59 1m58 h THR 61 CO 0.96 0.53 -0.51 -1.81 0.37 0.00 0.00 175.52 175.05 1m58 s ASP 62 N -6.84 6.09 0.37 4.18 1.11 -1.26 -5.06 116.67 115.25 1m58 s ASP 62 Ca -0.02 0.34 -0.27 0.00 0.18 0.00 0.00 52.55 52.78 1m58 s ASP 62 Cb 0.13 -1.96 -0.09 0.00 1.07 0.00 0.00 42.92 42.07 1m58 s ASP 62 CO 0.75 0.35 1.30 -1.83 1.18 0.00 0.00 175.17 176.92 1m58 s GLU 63 N -0.68 4.15 0.06 8.23 -1.05 -1.26 -4.76 118.70 123.39 1m58 s GLU 63 Ca 0.13 2.18 0.09 0.00 -0.15 0.00 0.00 54.97 57.21 1m58 s GLU 63 Cb -0.12 -2.90 -0.03 0.00 -0.44 0.00 0.00 34.13 30.64 1m58 s GLU 63 CO 0.02 -0.34 -0.24 -0.06 0.95 0.00 0.00 175.26 175.59 1m58 s PHE 64 N -1.21 2.10 0.24 4.83 0.08 -1.04 -4.85 117.98 118.13 1m58 s PHE 64 Ca 0.53 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.89 1m58 s PHE 64 Cb -0.39 -1.23 -0.09 0.00 -0.57 0.00 0.00 43.02 40.74 1m58 s PHE 64 CO 0.51 0.15 1.29 0.71 -0.10 0.00 0.00 175.22 177.77 1m58 s TYR 65 N -0.86 3.23 -0.20 0.36 1.51 -1.26 -2.20 117.35 117.93 1m58 s TYR 65 Ca 0.10 1.32 0.01 0.00 -1.01 0.00 0.00 57.07 57.49 1m58 s TYR 65 Cb -0.10 -3.59 0.03 0.00 -0.11 0.00 0.00 41.96 38.19 1m58 s TYR 65 CO 0.03 -1.75 -0.17 -0.51 -1.11 0.00 0.00 175.55 172.04 1m58 s LEU 66 N -0.69 2.51 -0.24 -1.29 1.43 0.07 -1.69 118.68 118.78 1m58 s LEU 66 Ca 0.53 -0.86 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1m58 s LEU 66 Cb -0.37 -1.50 0.04 0.00 0.03 0.00 0.00 46.19 44.39 1m58 s LEU 66 CO 0.42 -0.05 -0.11 -0.55 0.23 0.00 0.00 176.35 176.29 1m58 s SER 67 N 1.24 4.12 0.04 2.29 0.15 -0.36 -2.45 113.70 118.72 1m58 s SER 67 Ca 0.01 -1.05 0.04 0.00 0.70 0.00 0.00 55.95 55.65 1m58 s SER 67 Cb -0.15 -1.58 -0.02 0.00 -1.71 0.00 0.00 66.02 62.56 1m58 s SER 67 CO -0.11 -0.13 -0.12 1.51 1.20 0.00 0.00 173.24 175.59 1m58 s ASP 68 N 1.22 1.47 -0.15 5.45 1.47 -1.05 -0.30 116.67 124.78 1m58 s ASP 68 Ca -0.03 -0.44 -0.08 0.00 1.18 0.00 0.00 52.55 53.17 1m58 s ASP 68 Cb -0.17 -0.08 -0.04 0.00 -0.34 0.00 0.00 42.92 42.28 1m58 s ASP 68 CO -0.07 0.00 0.14 0.00 0.68 0.00 0.00 175.17 175.93 1m58 s ASN 70 N -0.44 2.86 0.50 0.00 0.01 -0.48 -2.32 114.94 115.07 1m58 s ASN 70 Ca 0.12 -0.45 -0.23 0.00 -0.71 0.00 0.00 52.86 51.59 1m58 s ASN 70 Cb -0.12 -0.39 -0.06 0.00 0.41 0.00 0.00 41.25 41.09 1m58 s ASN 70 CO 0.02 0.29 1.40 -0.60 -1.51 0.00 0.00 177.10 176.69 1m58 s ARG 71 N -0.50 3.38 0.20 -0.60 6.06 -1.14 -2.81 118.95 123.54 1m58 s ARG 71 Ca 0.07 2.34 0.00 0.00 -2.50 0.00 0.00 55.73 55.64 1m58 s ARG 71 Cb -0.10 -2.44 0.00 0.00 0.06 0.00 0.00 34.95 32.47 1m58 s ARG 71 CO -0.00 -1.03 0.00 -0.89 -2.50 0.00 0.00 175.30 170.88 1m58 n ILE 72 N -0.65 0.00 -3.30 4.11 5.41 -1.26 -4.90 119.36 118.77 1m58 n ILE 72 Ca 0.08 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.86 1m58 n ILE 72 Cb 0.43 -0.43 -0.03 0.00 -0.71 0.00 0.00 39.64 38.90 1m58 n ILE 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1m58 s LYS 73 N -2.00 0.25 1.05 0.38 -2.85 -1.25 -5.13 119.74 110.19 1m58 s LYS 73 Ca 0.00 0.57 -0.21 0.00 -1.00 0.00 0.00 55.97 55.33 1m58 s LYS 73 Cb 0.00 0.34 -0.03 0.00 -2.06 0.00 0.00 37.83 36.08 1m58 s LYS 73 CO 0.00 -0.14 -0.58 1.28 0.10 0.00 0.00 175.35 176.01 1m58 n LEU 74 N 5.06 -2.69 -0.00 2.77 4.32 -1.26 -4.19 117.00 121.01 1m58 n LEU 74 Ca -0.08 -0.01 -0.00 0.00 -0.02 0.00 0.00 56.01 55.90 1m58 n LEU 74 Cb 0.53 -0.80 -0.00 0.00 -1.62 0.00 0.00 43.42 41.53 1m58 n LEU 74 CO -0.06 -3.21 0.03 1.55 -1.22 0.00 0.00 177.39 174.48 1m58 h PRO 75 N -1.55 -0.00 -2.54 3.23 0.13 -2.02 -3.44 132.00 125.81 1m58 h PRO 75 Ca -0.47 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.06 1m58 h PRO 75 Cb 1.36 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 32.07 1m58 h PRO 75 CO 0.30 -0.00 -0.59 0.00 -0.23 0.00 0.00 178.00 177.48 1m58 s HIS 77 N -2.06 -0.03 0.40 0.00 5.04 -1.26 -4.70 115.29 112.67 1m58 s HIS 77 Ca 0.34 -0.23 0.05 0.00 -1.54 0.00 0.00 55.06 53.68 1m58 s HIS 77 Cb 0.08 -0.59 -0.02 0.00 0.04 0.00 0.00 32.58 32.08 1m58 s HIS 77 CO -0.08 -0.67 0.18 0.71 -2.34 0.00 0.00 174.74 172.55 1m58 s TYR 78 N 2.23 1.77 0.18 3.88 2.02 -1.26 -3.87 117.35 122.30 1m58 s TYR 78 Ca 0.06 -1.43 0.09 0.00 -0.37 0.00 0.00 57.07 55.42 1m58 s TYR 78 Cb -0.16 -1.02 -0.04 0.00 -0.40 0.00 0.00 41.96 40.34 1m58 s TYR 78 CO -0.20 -0.50 -0.13 0.15 -1.57 0.00 0.00 175.55 173.31 1m58 s LYS 79 N -3.60 1.94 -0.15 -0.62 1.02 -1.12 -4.81 119.74 112.39 1m58 s LYS 79 Ca 0.28 -1.30 0.01 0.00 0.02 0.00 0.00 55.97 54.97 1m58 s LYS 79 Cb 0.02 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.23 1m58 s LYS 79 CO 0.19 0.43 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.71 1m58 s LEU 80 N -2.73 2.36 -0.16 3.17 2.96 -1.26 -1.38 118.68 121.64 1m58 s LEU 80 Ca 0.23 -0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 53.58 1m58 s LEU 80 Cb -0.09 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 1m58 s LEU 80 CO 0.14 0.08 -0.00 -0.54 -1.32 0.00 0.00 176.35 174.70 1m58 s LYS 81 N 0.85 3.72 -0.15 1.98 1.02 -0.70 -4.94 119.74 121.52 1m58 s LYS 81 Ca -0.05 -0.46 0.02 0.00 0.02 0.00 0.00 55.97 55.50 1m58 s LYS 81 Cb -0.15 -3.00 0.02 0.00 -0.52 0.00 0.00 37.83 34.18 1m58 s LYS 81 CO -0.01 0.29 -0.19 -1.59 -0.92 0.00 0.00 175.35 172.93 1m58 s LYS 82 N 0.26 2.77 -0.15 1.68 0.00 -1.25 -2.52 119.74 120.53 1m58 s LYS 82 Ca -0.01 -0.76 -0.28 0.00 0.00 0.00 0.00 55.97 54.93 1m58 s LYS 82 Cb -0.13 -2.34 0.08 0.00 0.00 0.00 0.00 37.83 35.43 1m58 s LYS 82 CO 0.02 -0.12 0.73 -1.12 0.00 0.00 0.00 175.35 174.87 1m58 s SER 83 N 1.09 -0.67 -0.23 0.03 0.01 -1.02 -4.96 113.70 107.95 1m58 s SER 83 Ca -0.01 0.99 -0.15 0.00 1.31 0.00 0.00 55.95 58.08 1m58 s SER 83 Cb -0.14 0.90 -0.04 0.00 0.21 0.00 0.00 66.02 66.95 1m58 s SER 83 CO -0.07 -0.43 0.38 -0.44 0.41 0.00 0.00 173.24 173.09 1m58 s SER 84 N -0.51 6.36 0.14 2.44 0.01 -1.26 -0.75 113.70 120.13 1m58 s SER 84 Ca -0.06 0.42 -0.19 0.00 1.31 0.00 0.00 55.95 57.43 1m58 s SER 84 Cb -0.02 -2.22 0.05 0.00 0.21 0.00 0.00 66.02 64.04 1m58 s SER 84 CO 0.05 -0.10 0.49 0.21 0.41 0.00 0.00 173.24 174.30 1m58 s ASN 85 N 1.23 -0.39 0.06 2.44 2.47 -0.94 -4.86 114.94 114.95 1m58 s ASN 85 Ca 0.17 -0.16 -0.20 0.00 0.42 0.00 0.00 52.86 53.09 1m58 s ASN 85 Cb -0.15 0.53 -0.06 0.00 -1.45 0.00 0.00 41.25 40.12 1m58 s ASN 85 CO 0.08 -0.91 0.58 0.42 -3.72 0.00 0.00 177.10 173.55 1m58 s THR 86 N -3.77 4.76 0.27 -5.21 -4.23 -1.26 -2.49 115.64 103.72 1m58 s THR 86 Ca 0.02 1.23 0.09 0.00 -1.18 0.00 0.00 61.69 61.85 1m58 s THR 86 Cb 0.01 -3.91 -0.04 0.00 1.34 0.00 0.00 72.50 69.90 1m58 s THR 86 CO -0.12 0.53 0.05 -0.63 -0.54 0.00 0.00 174.62 173.90 1m58 s ILE 87 N -0.94 3.53 -0.26 2.99 1.09 -1.26 -2.95 121.20 123.39 1m58 s ILE 87 Ca 0.29 -1.81 0.02 0.00 -1.10 0.00 0.00 60.65 58.06 1m58 s ILE 87 Cb -0.19 -2.95 0.06 0.00 -1.06 0.00 0.00 42.46 38.32 1m58 s ILE 87 CO 0.19 -0.34 -0.08 0.00 -0.10 0.00 0.00 174.94 174.61 1m58 s ILE 89 N 1.17 2.18 -0.44 0.00 1.01 -0.84 -1.21 121.20 123.07 1m58 s ILE 89 Ca -0.06 -1.71 -0.16 0.00 0.00 0.00 0.00 60.65 58.71 1m58 s ILE 89 Cb -0.20 -2.89 0.03 0.00 0.01 0.00 0.00 42.46 39.42 1m58 s ILE 89 CO -0.06 0.00 0.40 -0.89 0.00 0.00 0.00 174.94 174.39 1m58 s THR 90 N -2.63 5.16 -0.19 2.92 2.01 0.71 -1.21 115.64 122.40 1m58 s THR 90 Ca 0.38 -0.62 -0.29 0.00 0.31 0.00 0.00 61.69 61.48 1m58 s THR 90 Cb 0.04 -4.04 -0.00 0.00 0.01 0.00 0.00 72.50 68.50 1m58 s THR 90 CO 0.21 -0.45 1.13 0.00 -0.69 0.00 0.00 174.62 174.83 1m58 s GLU 92 N 3.22 -0.01 -1.06 0.00 -6.30 0.54 -2.44 118.70 112.65 1m58 s GLU 92 Ca 0.49 0.31 -0.01 0.00 -2.50 0.00 0.00 54.97 53.26 1m58 s GLU 92 Cb -0.18 -0.49 -0.01 0.00 0.00 0.00 0.00 34.13 33.45 1m58 s GLU 92 CO 0.11 -0.29 0.89 -1.71 0.02 0.00 0.00 175.26 174.28 1m58 n ASN 93 N 5.01 -2.53 -0.81 -1.70 4.05 0.17 -2.29 115.26 117.17 1m58 n ASN 93 Ca -0.09 -0.57 -0.11 0.00 0.45 0.00 0.00 54.58 54.26 1m58 n ASN 93 Cb 0.50 -4.67 -0.05 0.00 1.23 0.00 0.00 39.78 36.79 1m58 n ASN 93 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1m58 n LYS 94 N -3.72 -1.70 -3.76 1.20 5.02 -0.86 -4.95 118.16 109.38 1m58 n LYS 94 Ca -0.24 0.87 -0.13 0.00 -2.02 0.00 0.00 58.31 56.79 1m58 n LYS 94 Cb 0.65 -5.29 -0.12 0.00 -0.02 0.00 0.00 35.03 30.25 1m58 n LYS 94 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1m58 s LEU 95 N -2.40 0.78 -0.08 -0.35 0.05 -0.97 -4.24 118.68 111.47 1m58 s LEU 95 Ca 0.00 0.56 -0.25 0.00 0.05 0.00 0.00 54.13 54.50 1m58 s LEU 95 Cb 0.00 0.92 -0.03 0.00 -2.05 0.00 0.00 46.19 45.03 1m58 s LEU 95 CO 0.00 -0.12 0.76 -2.16 -0.55 0.00 0.00 176.35 174.29 1m58 s PRO 96 N 0.45 4.42 0.00 1.48 0.04 -1.26 -0.34 135.00 139.79 1m58 s PRO 96 Ca -0.02 0.97 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1m58 s PRO 96 Cb -0.04 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 31.02 1m58 s PRO 96 CO -0.02 -0.04 0.09 1.33 0.04 0.00 0.00 177.00 178.40 1m58 n VAL 97 N 4.03 0.00 -3.96 -0.36 0.24 -1.04 -4.75 118.33 112.49 1m58 n VAL 97 Ca 0.01 -0.16 -0.29 0.00 -2.04 0.00 0.00 64.34 61.86 1m58 n VAL 97 Cb 0.51 1.39 -0.16 0.00 -1.47 0.00 0.00 33.84 34.11 1m58 n VAL 97 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1m58 s HIS 98 N -0.14 2.02 -0.35 6.34 3.76 -1.25 -4.97 115.29 120.69 1m58 s HIS 98 Ca 0.00 -1.22 -0.29 0.00 -0.15 0.00 0.00 55.06 53.40 1m58 s HIS 98 Cb 0.00 -1.48 -0.01 0.00 1.11 0.00 0.00 32.58 32.20 1m58 s HIS 98 CO 0.00 -0.65 1.61 0.12 -0.85 0.00 0.00 174.74 174.97 1m58 s PHE 99 N 1.53 2.09 -0.02 1.40 2.19 -1.26 -0.21 117.98 123.70 1m58 s PHE 99 Ca 0.02 0.64 -0.01 0.00 0.33 0.00 0.00 56.93 57.91 1m58 s PHE 99 Cb -0.14 -4.19 -0.00 0.00 -1.31 0.00 0.00 43.02 37.37 1m58 s PHE 99 CO -0.09 -2.53 -0.01 0.28 1.83 0.00 0.00 175.22 174.70 1m58 h VAL 100 N 6.60 0.00 -1.61 3.12 2.07 -1.46 -3.48 116.25 121.49 1m58 h VAL 100 Ca -0.31 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1m58 h VAL 100 Cb 1.14 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1m58 h VAL 100 CO 1.05 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.64 1m58 n ALA 101 N -2.28 0.00 -2.21 1.67 0.00 -0.85 -5.04 120.51 111.81 1m58 n ALA 101 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1m58 n ALA 101 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1m58 n ALA 101 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1m58 n VAL 102 N 0.00 0.00 -0.14 0.00 0.24 -1.26 -1.12 118.33 116.05 1m58 n VAL 102 Ca 0.00 0.00 0.28 0.00 -2.04 0.00 0.00 64.34 62.58 1m58 n VAL 102 Cb 0.00 0.00 0.65 0.00 -1.47 0.00 0.00 33.84 33.02 1m58 n VAL 102 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1m58 h GLU 103 N 0.00 0.00 -5.20 7.34 4.39 -1.89 -3.34 114.58 115.89 1m58 h GLU 103 Ca 0.00 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 59.05 1m58 h GLU 103 Cb 0.00 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 28.40 1m58 h GLU 103 CO 0.00 0.00 -0.71 -1.21 -1.16 0.00 0.00 179.01 175.93 1m58 s GLU 104 N -4.64 3.49 0.09 2.33 8.01 -1.26 -5.03 118.70 121.70 1m58 s GLU 104 Ca -0.04 -0.60 0.09 0.00 0.01 0.00 0.00 54.97 54.43 1m58 s GLU 104 Cb 0.17 -2.87 -0.03 0.00 -4.31 0.00 0.00 34.13 27.08 1m58 s GLU 104 CO 0.60 0.08 -0.22 0.00 0.01 0.00 0.00 175.26 175.72