#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cyt s ASP 2 N 0.00 5.61 0.44 1.61 1.11 -1.26 -4.91 116.67 119.27 3cyt s ASP 2 Ca 0.00 -0.11 0.16 0.00 0.18 0.00 0.00 52.55 52.78 3cyt s ASP 2 Cb 0.00 -2.03 1.01 0.00 1.07 0.00 0.00 42.92 42.97 3cyt s ASP 2 CO 0.00 -0.05 1.97 0.58 1.18 0.00 0.00 175.17 178.85 3cyt h VAL 3 N 5.46 1.07 0.00 -1.27 2.07 -1.88 -1.92 116.25 119.78 3cyt h VAL 3 Ca -0.36 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.33 3cyt h VAL 3 Cb 1.18 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 3cyt h VAL 3 CO 0.56 0.21 -0.35 0.00 0.02 0.00 0.00 177.57 178.02 3cyt h ALA 4 N 1.79 0.79 0.00 1.67 0.00 -1.93 0.19 119.26 121.76 3cyt h ALA 4 Ca -0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3cyt h ALA 4 Cb 0.40 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3cyt h ALA 4 CO 0.03 0.43 -0.76 0.87 0.00 0.00 0.00 179.25 179.82 3cyt h LYS 5 N 0.00 0.00 -0.28 0.00 1.57 -1.87 -3.08 116.57 112.91 3cyt h LYS 5 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3cyt h LYS 5 Cb 1.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 3cyt h LYS 5 CO 0.05 0.08 -0.25 0.78 -0.57 0.00 0.00 179.45 179.53 3cyt h GLY 6 N 3.92 0.59 0.96 3.86 0.00 -0.84 -2.70 103.07 108.85 3cyt h GLY 6 Ca -0.02 -0.49 0.02 0.00 0.00 0.00 0.00 47.33 46.83 3cyt h GLY 6 CO 0.01 0.45 0.51 1.70 0.00 0.00 0.00 176.54 179.21 3cyt h LYS 7 N 0.48 1.00 -0.13 4.80 3.64 -0.56 -0.72 116.57 125.08 3cyt h LYS 7 Ca 0.07 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 3cyt h LYS 7 Cb 0.69 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3cyt h LYS 7 CO 0.05 0.66 -0.42 -0.22 -2.27 0.00 0.00 179.45 177.26 3cyt h LYS 8 N 1.03 0.29 -0.34 1.90 3.64 -1.47 0.13 116.57 121.76 3cyt h LYS 8 Ca 0.30 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.49 3cyt h LYS 8 Cb -0.08 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3cyt h LYS 8 CO -0.08 0.67 0.03 1.15 -2.27 0.00 0.00 179.45 178.95 3cyt h THR 9 N 0.24 1.25 -0.66 1.00 2.02 -1.35 -0.31 112.91 115.11 3cyt h THR 9 Ca 0.02 -0.89 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 3cyt h THR 9 Cb 0.84 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 3cyt h THR 9 CO 0.07 0.29 0.23 0.15 0.37 0.00 0.00 175.52 176.63 3cyt h PHE 10 N 0.40 1.04 -0.01 3.16 3.04 -0.12 0.34 116.94 124.80 3cyt h PHE 10 Ca 0.10 -0.10 -0.13 0.00 3.98 0.00 0.00 57.97 61.82 3cyt h PHE 10 Cb 0.39 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 38.58 3cyt h PHE 10 CO 0.03 0.84 -0.61 0.28 -2.02 0.00 0.00 178.31 176.83 3cyt h VAL 11 N 0.95 1.43 0.12 1.41 2.07 -0.68 0.32 116.25 121.87 3cyt h VAL 11 Ca 0.22 -2.08 -0.29 0.00 0.82 0.00 0.00 66.70 65.36 3cyt h VAL 11 Cb 0.27 2.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3cyt h VAL 11 CO -0.01 0.60 -1.44 -0.61 0.02 0.00 0.00 177.57 176.13 3cyt h GLN 12 N 0.01 0.25 0.00 1.57 4.15 -0.09 -3.35 115.11 117.65 3cyt h GLN 12 Ca -0.01 -0.42 -0.05 0.00 0.77 0.00 0.00 58.65 58.95 3cyt h GLN 12 Cb 1.08 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 3cyt h GLN 12 CO 0.08 1.13 -1.66 1.63 -1.93 0.00 0.00 178.83 178.08 3cyt n LYS 13 N -3.47 0.73 -0.03 1.69 5.02 0.11 -4.80 118.16 117.42 3cyt n LYS 13 Ca -0.14 -0.10 -0.03 0.00 -2.02 0.00 0.00 58.31 56.03 3cyt n LYS 13 Cb 1.04 -1.32 -0.03 0.00 -0.02 0.00 0.00 35.03 34.70 3cyt n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cyt n ALA 15 N -2.39 1.22 0.44 0.00 0.00 0.16 -1.46 120.51 118.49 3cyt n ALA 15 Ca -0.09 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.50 3cyt n ALA 15 Cb 0.64 -1.13 0.41 0.00 0.00 0.00 0.00 19.45 19.37 3cyt n ALA 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3cyt h GLN 16 N 0.00 0.00 -0.00 0.00 -0.00 -1.84 -3.25 115.11 110.02 3cyt h GLN 16 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3cyt h GLN 16 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.57 3cyt h GLN 16 CO 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 178.83 178.70 3cyt s HIS 18 N -1.24 0.67 0.29 0.00 3.76 -0.80 -0.92 115.29 117.05 3cyt s HIS 18 Ca 0.01 -0.85 0.10 0.00 -0.15 0.00 0.00 55.06 54.17 3cyt s HIS 18 Cb 0.02 -0.42 -0.06 0.00 1.11 0.00 0.00 32.58 33.23 3cyt s HIS 18 CO 0.12 -0.21 -0.14 0.95 -0.85 0.00 0.00 174.74 174.60 3cyt s THR 19 N -3.09 2.20 -0.01 1.30 -4.23 -1.26 -4.43 115.64 106.11 3cyt s THR 19 Ca 0.04 -2.28 0.05 0.00 -1.18 0.00 0.00 61.69 58.32 3cyt s THR 19 Cb 0.02 -2.39 -0.08 0.00 1.34 0.00 0.00 72.50 71.39 3cyt s THR 19 CO -0.05 -0.35 0.11 1.33 -0.54 0.00 0.00 174.62 175.12 3cyt n VAL 20 N -0.64 0.03 -1.67 2.29 0.24 -1.26 -1.24 118.33 116.09 3cyt n VAL 20 Ca -0.05 -0.13 -0.30 0.00 -2.04 0.00 0.00 64.34 61.81 3cyt n VAL 20 Cb 0.62 0.26 0.07 0.00 -1.47 0.00 0.00 33.84 33.32 3cyt n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 3cyt s GLU 21 N -2.35 2.42 -0.17 7.34 1.03 -1.26 -3.46 118.70 122.25 3cyt s GLU 21 Ca -0.02 0.60 -0.29 0.00 0.03 0.00 0.00 54.97 55.29 3cyt s GLU 21 Cb 0.03 -1.96 -0.04 0.00 -0.80 0.00 0.00 34.13 31.36 3cyt s GLU 21 CO 0.22 -1.38 1.71 1.21 -1.33 0.00 0.00 175.26 175.70 3cyt s ASN 22 N -4.06 6.35 0.00 0.83 3.84 -1.26 -1.75 114.94 118.89 3cyt s ASN 22 Ca 0.60 1.86 0.00 0.00 0.21 0.00 0.00 52.86 55.52 3cyt s ASN 22 Cb -0.13 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.04 3cyt s ASN 22 CO 0.53 -1.25 0.00 0.61 -2.79 0.00 0.00 177.10 174.21 3cyt n GLY 23 N 4.65 0.74 3.67 1.21 0.00 -1.26 -5.05 105.19 109.15 3cyt n GLY 23 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 3cyt n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cyt s GLY 24 N -1.94 1.57 0.43 -0.02 0.00 -0.72 -5.01 107.32 101.64 3cyt s GLY 24 Ca 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 44.72 44.38 3cyt s GLY 24 CO 0.00 0.31 0.73 0.54 0.00 0.00 0.00 173.10 174.68 3cyt s LYS 25 N -4.92 3.59 0.25 2.90 1.02 -1.26 -4.83 119.74 116.49 3cyt s LYS 25 Ca 0.65 0.17 -0.30 0.00 0.02 0.00 0.00 55.97 56.52 3cyt s LYS 25 Cb -0.19 -2.44 -0.09 0.00 -0.52 0.00 0.00 37.83 34.59 3cyt s LYS 25 CO 0.58 -0.10 1.13 -1.01 -0.92 0.00 0.00 175.35 175.03 3cyt s HIS 26 N -2.57 3.53 0.00 3.18 3.76 -1.26 -4.25 115.29 117.68 3cyt s HIS 26 Ca 0.47 1.62 0.00 0.00 -0.15 0.00 0.00 55.06 57.00 3cyt s HIS 26 Cb -0.10 -3.33 0.00 0.00 1.11 0.00 0.00 32.58 30.26 3cyt s HIS 26 CO 0.40 -0.74 0.00 1.63 -0.85 0.00 0.00 174.74 175.18 3cyt n LYS 27 N 1.57 0.00 -0.10 1.40 5.02 -1.26 -4.94 118.16 119.85 3cyt n LYS 27 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 3cyt n LYS 27 Cb 0.45 0.00 0.19 0.00 -0.02 0.00 0.00 35.03 35.64 3cyt n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3cyt h VAL 28 N 0.00 1.23 -1.74 -0.18 2.07 -1.81 -3.44 116.25 112.39 3cyt h VAL 28 Ca 0.00 -0.93 -0.56 0.00 0.82 0.00 0.00 66.70 66.03 3cyt h VAL 28 Cb 0.00 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 30.53 3cyt h VAL 28 CO 0.00 0.33 -0.52 -0.83 0.02 0.00 0.00 177.57 176.57 3cyt s GLY 29 N -3.72 2.15 0.58 2.17 0.00 -0.10 -5.08 107.32 103.32 3cyt s GLY 29 Ca -0.09 -1.98 -0.19 0.00 0.00 0.00 0.00 44.72 42.46 3cyt s GLY 29 CO 0.80 -1.84 1.09 -1.55 0.00 0.00 0.00 173.10 171.60 3cyt n PRO 30 N -1.18 1.11 -2.48 2.90 -0.04 -1.26 -4.61 135.00 129.44 3cyt n PRO 30 Ca -0.02 0.42 -0.37 0.00 -0.04 0.00 0.00 63.50 63.49 3cyt n PRO 30 Cb 0.63 -2.28 -0.04 0.00 -0.04 0.00 0.00 33.50 31.77 3cyt n PRO 30 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3cyt s ASN 31 N -1.16 6.72 -0.03 3.54 3.84 -1.26 -4.34 114.94 122.25 3cyt s ASN 31 Ca 0.75 2.12 0.13 0.00 0.21 0.00 0.00 52.86 56.07 3cyt s ASN 31 Cb -0.42 -2.59 0.40 0.00 -0.55 0.00 0.00 41.25 38.08 3cyt s ASN 31 CO 0.47 -0.52 1.33 0.18 -2.79 0.00 0.00 177.10 175.77 3cyt n LEU 32 N 0.01 3.27 -4.71 3.21 4.77 -0.37 -4.92 117.00 118.27 3cyt n LEU 32 Ca 0.05 -2.14 -0.43 0.00 -0.03 0.00 0.00 56.01 53.46 3cyt n LEU 32 Cb 0.49 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 3cyt n LEU 32 CO 0.47 0.76 1.29 1.87 -1.33 0.00 0.00 177.39 180.45 3cyt n TRP 33 N 0.59 2.61 -0.33 -1.77 -0.00 -1.22 -1.40 117.44 115.91 3cyt n TRP 33 Ca 0.15 0.14 0.00 0.00 -0.00 0.00 0.00 57.50 57.79 3cyt n TRP 33 Cb 0.53 -2.62 0.00 0.00 -0.00 0.00 0.00 31.31 29.22 3cyt n TRP 33 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3cyt n GLY 34 N 3.53 0.87 0.31 5.87 0.00 -0.54 -4.95 105.19 110.28 3cyt n GLY 34 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 3cyt n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3cyt h LEU 35 N 0.00 0.13 -9.45 0.99 5.85 -1.46 -3.40 115.31 107.97 3cyt h LEU 35 Ca 0.00 0.18 -0.54 0.00 0.84 0.00 0.00 57.88 58.36 3cyt h LEU 35 Cb 0.00 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3cyt h LEU 35 CO 0.00 -0.10 0.32 -0.36 -0.34 0.00 0.00 178.44 177.96 3cyt s PHE 36 N -5.92 3.69 0.00 1.25 0.08 -1.26 -2.94 117.98 112.88 3cyt s PHE 36 Ca -0.12 1.65 0.00 0.00 0.12 0.00 0.00 56.93 58.58 3cyt s PHE 36 Cb 0.25 -3.05 0.00 0.00 -0.57 0.00 0.00 43.02 39.66 3cyt s PHE 36 CO 0.77 0.07 0.00 0.41 -0.10 0.00 0.00 175.22 176.37 3cyt n GLY 37 N 2.75 0.66 3.71 4.36 0.00 0.12 -5.00 105.19 111.79 3cyt n GLY 37 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 3cyt n GLY 37 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3cyt s ARG 38 N -0.81 2.54 0.73 1.61 1.70 -1.15 -4.78 118.95 118.79 3cyt s ARG 38 Ca 0.00 -1.10 -0.13 0.00 -0.47 0.00 0.00 55.73 54.03 3cyt s ARG 38 Cb 0.00 -2.41 0.04 0.00 -0.57 0.00 0.00 34.95 32.01 3cyt s ARG 38 CO 0.00 0.44 1.12 0.15 -1.08 0.00 0.00 175.30 175.93 3cyt s LYS 39 N -3.19 2.38 0.17 3.89 1.02 -1.26 -0.31 119.74 122.45 3cyt s LYS 39 Ca 0.29 1.37 -0.32 0.00 0.02 0.00 0.00 55.97 57.33 3cyt s LYS 39 Cb -0.09 -1.90 -0.16 0.00 -0.52 0.00 0.00 37.83 35.16 3cyt s LYS 39 CO 0.20 -1.57 1.05 0.25 -0.92 0.00 0.00 175.35 174.36 3cyt n THR 40 N -2.99 1.10 -1.96 2.17 -2.24 -0.78 -3.83 114.28 105.75 3cyt n THR 40 Ca 0.10 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3cyt n THR 40 Cb 0.52 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 3cyt n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cyt n GLY 41 N 1.86 0.38 0.05 3.38 0.00 -1.23 -4.58 105.19 105.04 3cyt n GLY 41 Ca 0.15 -0.89 0.03 0.00 0.00 0.00 0.00 46.02 45.31 3cyt n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3cyt n GLN 42 N -1.07 2.02 -2.36 1.61 1.13 -1.25 -4.74 117.38 112.72 3cyt n GLN 42 Ca 0.00 -1.67 -0.41 0.00 -1.94 0.00 0.00 57.00 52.98 3cyt n GLN 42 Cb 0.48 -1.06 -0.03 0.00 0.11 0.00 0.00 30.24 29.74 3cyt n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3cyt s ALA 43 N -1.37 3.44 0.30 -1.58 0.00 -1.26 -4.96 121.76 116.33 3cyt s ALA 43 Ca 0.09 0.95 -0.29 0.00 0.00 0.00 0.00 51.96 52.71 3cyt s ALA 43 Cb 0.08 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 3cyt s ALA 43 CO 0.01 -0.40 1.19 -1.21 0.00 0.00 0.00 175.76 175.34 3cyt s GLU 44 N 0.08 4.52 0.00 0.00 2.02 -1.26 -3.42 118.70 120.64 3cyt s GLU 44 Ca 0.55 1.97 0.00 0.00 0.02 0.00 0.00 54.97 57.51 3cyt s GLU 44 Cb -0.32 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 30.76 3cyt s GLU 44 CO 0.35 0.04 0.00 0.41 0.02 0.00 0.00 175.26 176.08 3cyt n GLY 45 N 1.07 0.67 3.60 -1.39 0.00 -1.26 -5.02 105.19 102.85 3cyt n GLY 45 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3cyt n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3cyt s TYR 46 N -2.67 3.11 -0.63 1.61 5.04 -1.22 -5.06 117.35 117.53 3cyt s TYR 46 Ca 0.00 -0.02 -0.24 0.00 -2.44 0.00 0.00 57.07 54.37 3cyt s TYR 46 Cb 0.00 -1.89 0.05 0.00 0.35 0.00 0.00 41.96 40.47 3cyt s TYR 46 CO 0.00 0.22 1.00 -1.12 -1.34 0.00 0.00 175.55 174.31 3cyt s SER 47 N -0.22 6.24 0.75 4.32 0.01 -1.26 -4.90 113.70 118.64 3cyt s SER 47 Ca 0.05 -0.66 -0.10 0.00 1.31 0.00 0.00 55.95 56.54 3cyt s SER 47 Cb -0.13 -2.45 0.06 0.00 0.21 0.00 0.00 66.02 63.72 3cyt s SER 47 CO 0.02 -1.42 1.11 -0.31 0.41 0.00 0.00 173.24 173.06 3cyt s TYR 48 N 4.26 3.05 0.81 2.43 2.02 -1.26 -5.08 117.35 123.58 3cyt s TYR 48 Ca 0.27 0.75 -0.12 0.00 -0.37 0.00 0.00 57.07 57.60 3cyt s TYR 48 Cb -0.14 -3.29 0.08 0.00 -0.40 0.00 0.00 41.96 38.21 3cyt s TYR 48 CO 0.14 -1.51 1.11 0.95 -1.57 0.00 0.00 175.55 174.68 3cyt s THR 49 N -3.43 2.76 0.23 -0.71 -4.23 -1.26 -4.88 115.64 104.13 3cyt s THR 49 Ca 0.60 0.25 -0.05 0.00 -1.18 0.00 0.00 61.69 61.31 3cyt s THR 49 Cb -0.11 -3.06 0.14 0.00 1.34 0.00 0.00 72.50 70.82 3cyt s THR 49 CO 0.48 -0.32 1.77 0.44 -0.54 0.00 0.00 174.62 176.46 3cyt h ASP 50 N -1.12 0.97 -0.33 3.99 5.19 -1.98 -1.35 116.42 121.79 3cyt h ASP 50 Ca -0.47 -0.18 0.06 0.00 -0.62 0.00 0.00 57.03 55.81 3cyt h ASP 50 Cb 1.29 -0.25 -0.08 0.00 0.18 0.00 0.00 39.33 40.46 3cyt h ASP 50 CO 0.61 0.92 -0.46 0.00 -3.12 0.00 0.00 179.24 177.20 3cyt h ALA 51 N 1.21 -0.55 -0.29 3.45 0.00 -1.87 0.62 119.26 121.82 3cyt h ALA 51 Ca 0.22 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 3cyt h ALA 51 Cb 0.31 0.92 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3cyt h ALA 51 CO -0.01 -0.92 -0.31 -0.97 0.00 0.00 0.00 179.25 177.04 3cyt h ASN 52 N -0.39 0.65 0.73 0.00 -0.00 -1.84 -1.56 115.58 113.17 3cyt h ASN 52 Ca 0.11 -0.26 -0.08 0.00 -0.00 0.00 0.00 56.30 56.07 3cyt h ASN 52 Cb 0.60 -0.18 -0.01 0.00 -0.00 0.00 0.00 38.32 38.73 3cyt h ASN 52 CO -0.54 0.92 -0.38 0.11 -0.00 0.00 0.00 177.43 177.55 3cyt h LYS 53 N 0.53 0.00 0.00 6.67 1.57 -0.58 -3.27 116.57 121.49 3cyt h LYS 53 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3cyt h LYS 53 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3cyt h LYS 53 CO 0.07 0.38 -0.93 0.43 -0.57 0.00 0.00 179.45 178.82 3cyt n SER 54 N -3.63 0.63 -0.33 0.86 7.64 0.21 -4.49 113.62 114.52 3cyt n SER 54 Ca -0.01 -0.10 0.10 0.00 1.01 0.00 0.00 58.87 59.88 3cyt n SER 54 Cb 0.49 0.63 0.31 0.00 -1.01 0.00 0.00 64.21 64.63 3cyt n SER 54 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3cyt h LYS 55 N 0.00 0.81 0.00 1.43 1.63 -1.37 -3.46 116.57 115.62 3cyt h LYS 55 Ca 0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 3cyt h LYS 55 Cb 0.75 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 3cyt h LYS 55 CO 0.00 0.54 0.00 0.41 -3.45 0.00 0.00 179.45 176.95 3cyt n GLY 56 N -1.37 0.68 3.95 5.01 0.00 -1.26 -5.07 105.19 107.12 3cyt n GLY 56 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 3cyt n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3cyt s ILE 57 N -2.31 3.57 -0.12 -0.61 -5.25 -1.26 -4.85 121.20 110.36 3cyt s ILE 57 Ca 0.00 -0.44 -0.08 0.00 -0.99 0.00 0.00 60.65 59.13 3cyt s ILE 57 Cb 0.00 -3.35 -0.04 0.00 2.95 0.00 0.00 42.46 42.02 3cyt s ILE 57 CO 0.00 -0.27 0.17 -0.69 -1.79 0.00 0.00 174.94 172.36 3cyt s VAL 58 N -2.70 5.45 0.16 8.37 1.01 -1.26 -1.87 120.40 129.55 3cyt s VAL 58 Ca 0.52 0.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 3cyt s VAL 58 Cb -0.10 -3.44 -0.07 0.00 0.00 0.00 0.00 36.38 32.76 3cyt s VAL 58 CO 0.39 0.58 1.13 0.26 0.00 0.00 0.00 175.10 177.46 3cyt s TRP 59 N -0.76 3.54 0.38 5.22 0.52 0.58 -4.76 118.94 123.66 3cyt s TRP 59 Ca 0.15 1.53 -0.11 0.00 0.02 0.00 0.00 56.10 57.68 3cyt s TRP 59 Cb -0.12 -3.32 0.04 0.00 -1.15 0.00 0.00 33.47 28.92 3cyt s TRP 59 CO 0.04 -0.80 0.70 0.54 0.02 0.00 0.00 176.95 177.45 3cyt s ASN 60 N 0.11 0.33 0.26 2.95 2.20 -1.26 -0.70 114.94 118.83 3cyt s ASN 60 Ca 0.51 -1.29 -0.02 0.00 -0.94 0.00 0.00 52.86 51.12 3cyt s ASN 60 Cb -0.30 0.80 0.45 0.00 -2.00 0.00 0.00 41.25 40.21 3cyt s ASN 60 CO 0.34 -1.59 1.81 0.78 -2.94 0.00 0.00 177.10 175.51 3cyt h ASN 61 N 2.03 0.74 0.65 3.54 4.21 -1.98 -0.97 115.58 123.79 3cyt h ASN 61 Ca -0.31 0.05 -0.03 0.00 1.21 0.00 0.00 56.30 57.22 3cyt h ASN 61 Cb 1.25 -0.09 0.01 0.00 -1.12 0.00 0.00 38.32 38.36 3cyt h ASN 61 CO 0.41 0.40 -0.31 -0.78 -1.29 0.00 0.00 177.43 175.86 3cyt h ASP 62 N 0.84 -0.74 0.43 5.81 1.82 -1.97 0.72 116.42 123.34 3cyt h ASP 62 Ca 0.43 -0.01 -0.08 0.00 -0.39 0.00 0.00 57.03 56.99 3cyt h ASP 62 Cb 0.43 0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.62 3cyt h ASP 62 CO -0.26 -0.44 -0.36 0.71 -1.61 0.00 0.00 179.24 177.27 3cyt h THR 63 N -1.00 1.17 0.00 2.25 1.35 -1.83 -2.89 112.91 111.96 3cyt h THR 63 Ca -0.09 -1.28 -0.11 0.00 -0.55 0.00 0.00 66.41 64.38 3cyt h THR 63 Cb 0.70 1.71 -0.02 0.00 -1.73 0.00 0.00 68.15 68.81 3cyt h THR 63 CO 0.15 0.36 -0.52 -0.07 -0.25 0.00 0.00 175.52 175.18 3cyt h LEU 64 N 0.00 0.00 -0.71 3.87 3.38 -0.91 -1.21 115.31 119.73 3cyt h LEU 64 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3cyt h LEU 64 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3cyt h LEU 64 CO 0.05 0.52 -0.55 0.24 0.09 0.00 0.00 178.44 178.80 3cyt h MET 65 N 0.00 0.27 0.11 1.13 2.86 -0.84 -1.01 114.93 117.46 3cyt h MET 65 Ca -0.01 -0.17 -0.28 0.00 -2.06 0.00 0.00 59.70 57.18 3cyt h MET 65 Cb 1.26 0.02 0.03 0.00 0.06 0.00 0.00 31.60 32.97 3cyt h MET 65 CO 0.07 0.75 -1.18 1.49 1.06 0.00 0.00 176.91 179.10 3cyt h GLU 66 N 0.21 0.60 -0.05 1.72 4.81 -1.28 -3.22 114.58 117.38 3cyt h GLU 66 Ca 0.00 -0.80 -0.00 0.00 -0.13 0.00 0.00 59.36 58.43 3cyt h GLU 66 Cb 1.03 0.26 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 3cyt h GLU 66 CO 0.09 1.36 0.03 -0.92 -0.73 0.00 0.00 179.01 178.84 3cyt h TYR 67 N 0.22 0.07 0.00 0.92 5.03 -1.14 -3.22 116.97 118.85 3cyt h TYR 67 Ca -0.18 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.13 3cyt h TYR 67 Cb 1.86 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 40.12 3cyt h TYR 67 CO 0.12 0.12 0.00 -0.07 -1.32 0.00 0.00 178.16 177.02 3cyt h LEU 68 N 0.00 0.00 -0.52 2.82 3.38 -1.25 -0.08 115.31 119.66 3cyt h LEU 68 Ca 0.02 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 3cyt h LEU 68 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3cyt h LEU 68 CO -0.00 0.00 -0.51 -0.08 0.09 0.00 0.00 178.44 177.94 3cyt h GLU 69 N 0.00 0.61 -0.76 1.13 4.81 -1.56 0.25 114.58 119.06 3cyt h GLU 69 Ca 0.00 -0.37 -0.19 0.00 -0.13 0.00 0.00 59.36 58.68 3cyt h GLU 69 Cb 0.31 0.03 -0.16 0.00 0.63 0.00 0.00 28.75 29.56 3cyt h GLU 69 CO 0.00 0.97 -0.51 -1.71 -0.73 0.00 0.00 179.01 177.03 3cyt n ASN 70 N -3.98 -3.19 -0.27 1.04 5.15 -0.45 -4.01 115.26 109.55 3cyt n ASN 70 Ca -0.03 -3.01 0.12 0.00 -0.60 0.00 0.00 54.58 51.06 3cyt n ASN 70 Cb 0.58 1.69 0.38 0.00 -0.53 0.00 0.00 39.78 41.91 3cyt n ASN 70 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3cyt h PRO 71 N 4.72 0.67 0.00 1.20 0.11 -1.30 -1.31 132.00 136.10 3cyt h PRO 71 Ca 0.01 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 3cyt h PRO 71 Cb 1.08 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3cyt h PRO 71 CO 0.12 0.45 -0.18 1.57 -0.21 0.00 0.00 178.00 179.75 3cyt h LYS 72 N 0.69 0.00 0.00 1.05 2.10 -1.85 0.15 116.57 118.71 3cyt h LYS 72 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 3cyt h LYS 72 Cb 0.71 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 3cyt h LYS 72 CO -0.20 0.18 -1.14 1.17 -2.00 0.00 0.00 179.45 177.46 3cyt n LYS 73 N -3.19 0.49 0.12 0.07 4.81 -0.76 -2.74 118.16 116.96 3cyt n LYS 73 Ca 0.02 0.03 -0.20 0.00 -0.87 0.00 0.00 58.31 57.29 3cyt n LYS 73 Cb 0.52 -1.69 -0.15 0.00 0.02 0.00 0.00 35.03 33.73 3cyt n LYS 73 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 3cyt h TYR 74 N 0.00 0.72 -2.77 5.64 3.20 -0.86 -3.39 116.97 119.52 3cyt h TYR 74 Ca 0.00 -0.53 -0.60 0.00 3.14 0.00 0.00 58.73 60.74 3cyt h TYR 74 Cb 0.89 -0.03 -0.40 0.00 1.54 0.00 0.00 36.73 38.74 3cyt h TYR 74 CO 0.00 1.41 -0.78 0.42 -1.64 0.00 0.00 178.16 177.57 3cyt s ILE 75 N -2.63 1.40 0.18 1.81 1.01 0.48 -5.10 121.20 118.35 3cyt s ILE 75 Ca -0.06 -3.07 -0.31 0.00 0.00 0.00 0.00 60.65 57.21 3cyt s ILE 75 Cb 0.06 -1.95 -0.09 0.00 0.01 0.00 0.00 42.46 40.49 3cyt s ILE 75 CO 0.91 -1.06 1.44 -2.84 0.00 0.00 0.00 174.94 173.39 3cyt s PRO 76 N -0.27 4.29 0.00 2.79 0.02 -1.11 -2.03 135.00 138.69 3cyt s PRO 76 Ca 0.26 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.49 3cyt s PRO 76 Cb -0.08 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.27 3cyt s PRO 76 CO -0.12 -0.45 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 3cyt n GLY 77 N 3.00 2.23 3.76 0.52 0.00 -1.26 -4.79 105.19 108.65 3cyt n GLY 77 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 3cyt n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3cyt s THR 78 N -2.35 2.63 -0.45 2.61 -1.32 -0.86 -4.82 115.64 111.09 3cyt s THR 78 Ca 0.00 0.42 0.13 0.00 -1.21 0.00 0.00 61.69 61.03 3cyt s THR 78 Cb 0.00 -3.19 0.71 0.00 -1.51 0.00 0.00 72.50 68.51 3cyt s THR 78 CO 0.00 -0.05 1.58 2.29 -2.21 0.00 0.00 174.62 176.23 3cyt n LYS 79 N -1.24 4.30 -3.07 7.08 2.85 -1.26 -4.76 118.16 122.05 3cyt n LYS 79 Ca 0.12 -2.72 -0.44 0.00 -1.05 0.00 0.00 58.31 54.21 3cyt n LYS 79 Cb 0.48 -2.13 -0.04 0.00 -0.65 0.00 0.00 35.03 32.69 3cyt n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 3cyt s MET 80 N -2.45 3.11 -0.67 -1.58 1.75 -1.26 -4.96 119.30 113.24 3cyt s MET 80 Ca 0.47 -1.33 -0.17 0.00 -1.25 0.00 0.00 55.69 53.41 3cyt s MET 80 Cb 0.35 -4.31 0.14 0.00 2.84 0.00 0.00 34.83 33.85 3cyt s MET 80 CO 0.15 -1.59 0.73 0.42 -0.65 0.00 0.00 175.02 174.08 3cyt s ILE 81 N 2.78 5.04 -0.27 10.11 -1.09 -1.26 -4.78 121.20 131.72 3cyt s ILE 81 Ca 0.15 -1.46 -0.17 0.00 -2.23 0.00 0.00 60.65 56.94 3cyt s ILE 81 Cb -0.21 -4.49 0.08 0.00 -1.58 0.00 0.00 42.46 36.25 3cyt s ILE 81 CO 0.05 -1.11 0.68 0.12 -1.23 0.00 0.00 174.94 173.45 3cyt s PHE 82 N 1.98 -1.01 0.31 3.97 2.19 -1.26 -5.07 117.98 119.08 3cyt s PHE 82 Ca 0.14 2.07 0.15 0.00 0.33 0.00 0.00 56.93 59.61 3cyt s PHE 82 Cb -0.20 0.57 0.68 0.00 -1.31 0.00 0.00 43.02 42.76 3cyt s PHE 82 CO 0.01 -0.50 1.77 0.00 1.83 0.00 0.00 175.22 178.33 3cyt h ALA 83 N 6.73 1.19 0.00 11.12 0.00 -1.96 -3.41 119.26 132.93 3cyt h ALA 83 Ca -0.30 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3cyt h ALA 83 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3cyt h ALA 83 CO 0.15 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.33 3cyt n GLY 84 N -0.16 3.37 3.26 0.00 0.00 -1.26 -4.48 105.19 105.92 3cyt n GLY 84 Ca -0.01 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 3cyt n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cyt s ILE 85 N -2.30 4.38 -0.30 -0.61 1.01 0.87 -4.97 121.20 119.28 3cyt s ILE 85 Ca 0.00 -1.54 0.22 0.00 0.00 0.00 0.00 60.65 59.34 3cyt s ILE 85 Cb 0.00 -3.77 0.12 0.00 0.01 0.00 0.00 42.46 38.82 3cyt s ILE 85 CO 0.00 -0.65 1.25 0.11 0.00 0.00 0.00 174.94 175.65 3cyt h LYS 86 N 8.49 0.00 -6.34 2.79 1.79 -1.85 -3.37 116.57 118.08 3cyt h LYS 86 Ca -0.23 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.69 3cyt h LYS 86 Cb 1.08 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.71 3cyt h LYS 86 CO 0.83 0.02 0.55 0.15 -1.08 0.00 0.00 179.45 179.91 3cyt s LYS 87 N -3.29 4.44 0.25 3.15 1.02 -1.26 -4.94 119.74 119.11 3cyt s LYS 87 Ca 0.02 1.51 -0.03 0.00 0.02 0.00 0.00 55.97 57.49 3cyt s LYS 87 Cb 0.08 -3.50 0.30 0.00 -0.52 0.00 0.00 37.83 34.19 3cyt s LYS 87 CO 0.75 -0.27 1.74 -0.22 -0.92 0.00 0.00 175.35 176.43 3cyt h LYS 88 N 7.07 0.82 -0.23 1.68 3.11 -1.99 -2.02 116.57 125.02 3cyt h LYS 88 Ca -0.35 -0.23 -0.12 0.00 -2.81 0.00 0.00 60.65 57.14 3cyt h LYS 88 Cb 1.18 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 32.30 3cyt h LYS 88 CO 0.83 0.83 -0.38 0.78 -2.81 0.00 0.00 179.45 178.70 3cyt h GLY 89 N 0.98 0.55 1.89 5.01 0.00 -1.98 0.17 103.07 109.69 3cyt h GLY 89 Ca 0.15 -0.53 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 3cyt h GLY 89 CO 0.02 0.48 -0.61 -2.09 0.00 0.00 0.00 176.54 174.34 3cyt h GLU 90 N 0.42 0.11 -0.07 4.80 4.81 -1.92 -1.50 114.58 121.24 3cyt h GLU 90 Ca 0.04 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3cyt h GLU 90 Cb 0.85 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 3cyt h GLU 90 CO 0.07 0.69 -0.07 0.00 -0.73 0.00 0.00 179.01 178.97 3cyt h ARG 91 N 0.08 0.17 -0.71 1.92 3.08 -0.92 -1.22 114.38 116.80 3cyt h ARG 91 Ca -0.01 -0.09 0.16 0.00 0.07 0.00 0.00 59.98 60.11 3cyt h ARG 91 Cb 1.09 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.03 3cyt h ARG 91 CO 0.09 0.61 0.07 0.37 -1.07 0.00 0.00 179.97 180.03 3cyt h GLN 92 N -0.25 0.16 -0.27 0.04 4.15 -0.62 0.87 115.11 119.17 3cyt h GLN 92 Ca 0.01 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 3cyt h GLN 92 Cb 0.57 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 3cyt h GLN 92 CO 0.02 0.10 -0.38 -0.44 -1.93 0.00 0.00 178.83 176.20 3cyt h ASP 93 N 0.16 0.66 -0.01 -0.69 5.19 -1.01 -1.37 116.42 119.35 3cyt h ASP 93 Ca 0.39 -0.29 -0.16 0.00 -0.62 0.00 0.00 57.03 56.35 3cyt h ASP 93 Cb 0.67 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 3cyt h ASP 93 CO -0.57 0.97 -0.55 0.25 -3.12 0.00 0.00 179.24 176.23 3cyt h LEU 94 N 0.52 0.65 -1.20 1.55 5.85 -0.55 -0.64 115.31 121.49 3cyt h LEU 94 Ca 0.05 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 3cyt h LEU 94 Cb 0.89 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 3cyt h LEU 94 CO 0.08 1.07 0.23 0.58 -0.34 0.00 0.00 178.44 180.05 3cyt h VAL 95 N 0.45 1.20 0.00 1.05 2.07 -0.72 0.93 116.25 121.23 3cyt h VAL 95 Ca 0.01 -0.60 -0.09 0.00 0.82 0.00 0.00 66.70 66.84 3cyt h VAL 95 Cb 1.09 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3cyt h VAL 95 CO 0.10 0.24 -0.42 0.00 0.02 0.00 0.00 177.57 177.51 3cyt h ALA 96 N 1.47 0.83 -0.03 1.67 0.00 -0.67 -0.32 119.26 122.21 3cyt h ALA 96 Ca 0.19 -0.38 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 3cyt h ALA 96 Cb 0.14 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.88 3cyt h ALA 96 CO -0.02 0.53 -0.72 -0.92 0.00 0.00 0.00 179.25 178.12 3cyt h TYR 97 N 0.00 0.79 -0.74 0.00 3.20 -0.08 -2.41 116.97 117.74 3cyt h TYR 97 Ca -0.00 -0.41 0.10 0.00 3.14 0.00 0.00 58.73 61.56 3cyt h TYR 97 Cb 1.13 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 39.23 3cyt h TYR 97 CO 0.00 1.22 0.37 -0.07 -1.64 0.00 0.00 178.16 178.05 3cyt h LEU 98 N 0.14 0.49 -0.87 2.82 3.38 -0.69 0.19 115.31 120.76 3cyt h LEU 98 Ca -0.08 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3cyt h LEU 98 Cb 1.40 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 3cyt h LEU 98 CO 0.14 0.27 0.09 0.50 0.09 0.00 0.00 178.44 179.53 3cyt h LYS 99 N 0.62 0.92 -0.22 1.13 3.64 -0.97 -1.72 116.57 119.97 3cyt h LYS 99 Ca 0.37 -0.23 -0.14 0.00 -1.27 0.00 0.00 60.65 59.38 3cyt h LYS 99 Cb 0.39 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3cyt h LYS 99 CO -0.28 0.86 -0.45 1.03 -2.27 0.00 0.00 179.45 178.34 3cyt h SER 100 N 0.87 0.59 -0.01 4.20 0.87 -0.61 -3.32 113.55 116.14 3cyt h SER 100 Ca 0.18 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 3cyt h SER 100 Cb 0.39 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 3cyt h SER 100 CO 0.01 0.96 -0.72 0.00 -0.53 0.00 0.00 176.83 176.55 3cyt n ALA 101 N -2.51 4.11 -0.98 6.23 0.00 0.50 -3.99 120.51 123.88 3cyt n ALA 101 Ca -0.02 -0.61 0.09 0.00 0.00 0.00 0.00 53.44 52.90 3cyt n ALA 101 Cb 0.54 -0.75 0.24 0.00 0.00 0.00 0.00 19.45 19.48 3cyt n ALA 101 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3cyt n THR 102 N -0.78 2.18 -1.66 0.00 -2.24 -0.70 -4.66 114.28 106.41 3cyt n THR 102 Ca 0.06 -1.91 0.00 0.00 -2.27 0.00 0.00 64.05 59.93 3cyt n THR 102 Cb 0.38 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 3cyt n THR 102 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96