#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ff0 h PHE 10 N 0.00 0.00 -0.32 1.61 0.04 -2.05 -2.35 116.94 113.86 3ff0 h PHE 10 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 3ff0 h PHE 10 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3ff0 h PHE 10 CO 0.00 0.13 0.07 1.49 -0.60 0.00 0.00 178.31 179.40 3ff0 h GLU 11 N 0.00 0.47 -0.19 1.51 4.57 -2.05 0.17 114.58 119.06 3ff0 h GLU 11 Ca -0.00 -0.07 -0.16 0.00 -1.18 0.00 0.00 59.36 57.94 3ff0 h GLU 11 Cb 0.43 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 3ff0 h GLU 11 CO 0.02 0.44 -0.51 -0.44 -1.18 0.00 0.00 179.01 177.34 3ff0 h ASP 12 N 0.46 0.78 -0.30 1.04 3.32 -1.87 -1.96 116.42 117.89 3ff0 h ASP 12 Ca 0.11 -0.58 0.04 0.00 0.02 0.00 0.00 57.03 56.62 3ff0 h ASP 12 Cb 0.20 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 3ff0 h ASP 12 CO -0.00 1.22 0.07 0.00 -1.72 0.00 0.00 179.24 178.81 3ff0 h ALA 13 N 0.58 0.32 -0.59 3.45 0.00 -1.33 -1.91 119.26 119.79 3ff0 h ALA 13 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ff0 h ALA 13 Cb 1.13 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 3ff0 h ALA 13 CO 0.11 -0.34 0.37 0.28 0.00 0.00 0.00 179.25 179.68 3ff0 h VAL 14 N 0.19 1.16 -0.39 0.00 2.07 -0.60 0.45 116.25 119.13 3ff0 h VAL 14 Ca 0.14 -0.33 -0.15 0.00 0.82 0.00 0.00 66.70 67.17 3ff0 h VAL 14 Cb 0.13 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3ff0 h VAL 14 CO -0.17 0.16 -0.35 -0.33 0.02 0.00 0.00 177.57 176.90 3ff0 h GLU 15 N 0.79 0.93 -0.11 1.57 5.08 -1.29 -1.38 114.58 120.16 3ff0 h GLU 15 Ca 0.21 -0.48 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3ff0 h GLU 15 Cb -0.06 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3ff0 h GLU 15 CO -0.04 1.13 0.04 1.25 -1.00 0.00 0.00 179.01 180.39 3ff0 h LEU 16 N 0.75 0.16 -0.84 1.33 5.85 -1.14 -1.45 115.31 119.97 3ff0 h LEU 16 Ca 0.07 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.65 3ff0 h LEU 16 Cb 0.95 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 3ff0 h LEU 16 CO 0.09 0.30 0.52 -0.09 -0.34 0.00 0.00 178.44 178.92 3ff0 h ARG 17 N 0.01 0.95 -0.33 1.25 2.43 -0.84 -0.37 114.38 117.48 3ff0 h ARG 17 Ca 0.04 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 3ff0 h ARG 17 Cb 0.19 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3ff0 h ARG 17 CO -0.00 0.63 0.04 -0.09 -1.51 0.00 0.00 179.97 179.03 3ff0 h ARG 18 N 0.98 0.56 -0.29 0.20 2.43 -1.00 0.12 114.38 117.38 3ff0 h ARG 18 Ca 0.35 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 3ff0 h ARG 18 Cb 0.11 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3ff0 h ARG 18 CO -0.15 0.66 0.12 -0.22 -1.51 0.00 0.00 179.97 178.87 3ff0 h LYS 19 N 0.38 0.43 -0.75 0.20 3.64 -1.04 -1.80 116.57 117.64 3ff0 h LYS 19 Ca 0.10 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3ff0 h LYS 19 Cb 0.38 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 3ff0 h LYS 19 CO 0.01 0.44 0.47 -0.91 -2.27 0.00 0.00 179.45 177.19 3ff0 h ASN 20 N 0.32 0.88 -0.83 4.20 2.35 -0.99 -2.70 115.58 118.82 3ff0 h ASN 20 Ca 0.10 -0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.82 3ff0 h ASN 20 Cb 0.17 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.27 3ff0 h ASN 20 CO -0.01 0.67 0.54 -0.09 -1.65 0.00 0.00 177.43 176.89 3ff0 h ARG 21 N 1.02 1.03 -0.60 0.81 2.43 -0.78 -1.25 114.38 117.04 3ff0 h ARG 21 Ca 0.27 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.44 3ff0 h ARG 21 Cb -0.06 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.20 3ff0 h ARG 21 CO -0.05 0.68 0.29 1.49 -1.51 0.00 0.00 179.97 180.87 3ff0 h GLU 22 N 1.06 0.53 -0.54 0.20 4.81 -1.02 -0.94 114.58 118.68 3ff0 h GLU 22 Ca 0.32 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.46 3ff0 h GLU 22 Cb -0.03 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 3ff0 h GLU 22 CO -0.10 0.35 0.09 1.15 -0.73 0.00 0.00 179.01 179.77 3ff0 h THR 23 N 0.54 1.25 -0.33 0.32 2.02 -1.14 -0.48 112.91 115.10 3ff0 h THR 23 Ca 0.28 -0.96 0.03 0.00 0.77 0.00 0.00 66.41 66.53 3ff0 h THR 23 Cb 0.23 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 3ff0 h THR 23 CO -0.21 0.35 0.14 0.58 0.37 0.00 0.00 175.52 176.74 3ff0 h VAL 24 N 0.79 0.94 -0.31 3.16 2.07 -0.90 -0.31 116.25 121.69 3ff0 h VAL 24 Ca 0.17 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 3ff0 h VAL 24 Cb 0.41 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3ff0 h VAL 24 CO 0.01 0.05 0.16 0.58 0.02 0.00 0.00 177.57 178.39 3ff0 h VAL 25 N 0.29 1.14 -0.54 2.57 2.07 -1.01 -2.41 116.25 118.36 3ff0 h VAL 25 Ca 0.14 -0.39 0.08 0.00 0.82 0.00 0.00 66.70 67.36 3ff0 h VAL 25 Cb 0.09 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 3ff0 h VAL 25 CO -0.13 0.14 0.19 0.50 0.02 0.00 0.00 177.57 178.30 3ff0 h LYS 26 N 0.37 0.35 -0.05 1.57 3.64 -0.86 -0.73 116.57 120.86 3ff0 h LYS 26 Ca 0.11 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3ff0 h LYS 26 Cb 0.09 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3ff0 h LYS 26 CO -0.02 0.23 0.00 0.98 -2.27 0.00 0.00 179.45 178.38 3ff0 n TYR 27 N -5.01 0.00 0.00 1.91 4.19 -0.15 -2.24 117.16 115.86 3ff0 n TYR 27 Ca 0.07 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.28 3ff0 n TYR 27 Cb 0.23 -0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.06 3ff0 n TYR 27 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 3ff0 n ASN 29 N 0.45 0.00 -4.68 2.98 3.02 -0.28 -4.84 115.26 111.91 3ff0 n ASN 29 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 3ff0 n ASN 29 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 3ff0 n ASN 29 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3ff0 s THR 30 N 0.00 4.33 0.21 3.41 2.01 -0.95 -4.98 115.64 119.67 3ff0 s THR 30 Ca 0.00 1.64 -0.09 0.00 0.31 0.00 0.00 61.69 63.55 3ff0 s THR 30 Cb 0.00 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 3ff0 s THR 30 CO 0.00 -0.04 0.34 -1.59 -0.69 0.00 0.00 174.62 172.64 3ff0 s LYS 31 N 2.55 1.35 4.94 4.92 -2.85 -1.26 -4.85 119.74 124.54 3ff0 s LYS 31 Ca 0.54 -1.30 0.00 0.00 -1.00 0.00 0.00 55.97 54.21 3ff0 s LYS 31 Cb -0.23 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 35.94 3ff0 s LYS 31 CO 0.19 -0.52 0.00 0.41 0.10 0.00 0.00 175.35 175.53 3ff0 n GLY 32 N -0.30 1.89 0.30 0.59 0.00 -1.26 -2.81 105.19 103.60 3ff0 n GLY 32 Ca -0.03 -0.54 0.19 0.00 0.00 0.00 0.00 46.02 45.65 3ff0 n GLY 32 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3ff0 h GLN 33 N 0.00 0.00 0.00 1.61 1.08 -2.00 -1.13 115.11 114.67 3ff0 h GLN 33 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3ff0 h GLN 33 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3ff0 h GLN 33 CO 0.00 0.02 0.00 -0.44 -0.95 0.00 0.00 178.83 177.46 3ff0 h ASP 34 N 0.00 0.00 -0.06 1.46 3.32 -1.94 -2.03 116.42 117.17 3ff0 h ASP 34 Ca -0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 3ff0 h ASP 34 Cb 0.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 3ff0 h ASP 34 CO 0.00 0.00 0.05 0.03 -1.72 0.00 0.00 179.24 177.60 3ff0 h ARG 35 N 0.00 0.00 0.00 3.56 3.08 -1.31 -1.13 114.38 118.58 3ff0 h ARG 35 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3ff0 h ARG 35 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 3ff0 h ARG 35 CO 0.00 0.00 -0.06 -0.07 -1.07 0.00 0.00 179.97 178.77 3ff0 h LEU 36 N 0.00 0.00 -2.61 3.04 3.38 -1.57 -2.90 115.31 114.65 3ff0 h LEU 36 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ff0 h LEU 36 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3ff0 h LEU 36 CO -0.00 0.06 0.00 0.54 0.09 0.00 0.00 178.44 179.13 3ff0 n ARG 37 N -3.89 2.49 0.24 1.13 1.74 -0.45 -4.66 116.66 113.26 3ff0 n ARG 37 Ca -0.03 -2.05 0.07 0.00 -0.77 0.00 0.00 57.85 55.08 3ff0 n ARG 37 Cb 0.15 -1.33 0.57 0.00 -1.02 0.00 0.00 32.46 30.83 3ff0 n ARG 37 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3ff0 h ARG 38 N 2.63 0.00 -0.01 5.56 2.43 -1.29 -1.56 114.38 122.14 3ff0 h ARG 38 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ff0 h ARG 38 Cb 0.76 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3ff0 h ARG 38 CO 0.00 0.15 0.10 1.12 -1.51 0.00 0.00 179.97 179.83 3ff0 h HIS 39 N 0.00 0.00 0.00 2.20 2.07 -1.83 -1.82 115.15 115.78 3ff0 h HIS 39 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3ff0 h HIS 39 Cb 0.29 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.27 3ff0 h HIS 39 CO 0.00 0.00 0.00 0.93 -3.07 0.00 0.00 177.93 175.79 3ff0 h GLU 40 N 0.00 0.00 0.00 5.12 5.08 -1.65 -1.84 114.58 121.30 3ff0 h GLU 40 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ff0 h GLU 40 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3ff0 h GLU 40 CO -0.00 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.29 3ff0 n LEU 41 N -3.02 0.00 -4.89 1.33 4.77 -0.68 -4.87 117.00 109.63 3ff0 n LEU 41 Ca -0.01 0.39 -0.24 0.00 -0.03 0.00 0.00 56.01 56.12 3ff0 n LEU 41 Cb 0.19 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 3ff0 n LEU 41 CO 0.23 -0.09 -0.12 -0.36 -1.33 0.00 0.00 177.39 175.72 3ff0 s PHE 42 N -2.77 3.32 0.79 -1.77 0.40 -0.69 -0.34 117.98 116.90 3ff0 s PHE 42 Ca 0.17 -0.00 -0.11 0.00 -0.60 0.00 0.00 56.93 56.39 3ff0 s PHE 42 Cb 0.15 -1.54 0.07 0.00 0.51 0.00 0.00 43.02 42.21 3ff0 s PHE 42 CO 0.38 0.50 1.10 0.14 0.70 0.00 0.00 175.22 178.04 3ff0 s VAL 43 N -1.90 3.17 0.33 -0.44 -7.23 -0.56 -4.77 120.40 109.00 3ff0 s VAL 43 Ca 0.33 0.38 0.01 0.00 -1.81 0.00 0.00 61.98 60.90 3ff0 s VAL 43 Cb -0.09 -2.81 0.27 0.00 0.56 0.00 0.00 36.38 34.30 3ff0 s VAL 43 CO 0.27 -0.49 1.99 -0.08 -0.31 0.00 0.00 175.10 176.47 3ff0 h GLU 44 N -1.20 0.91 -0.40 4.82 4.57 -1.95 0.36 114.58 121.69 3ff0 h GLU 44 Ca -0.44 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 3ff0 h GLU 44 Cb 1.24 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 3ff0 h GLU 44 CO 0.50 0.60 0.00 -0.40 -1.18 0.00 0.00 179.01 178.54 3ff0 n ASP 45 N -4.44 1.69 -4.74 1.04 5.75 -1.26 -0.96 116.55 113.63 3ff0 n ASP 45 Ca 0.08 -2.08 -0.33 0.00 -0.01 0.00 0.00 54.79 52.46 3ff0 n ASP 45 Cb 0.07 -0.27 0.09 0.00 -1.03 0.00 0.00 41.12 39.98 3ff0 n ASP 45 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3ff0 s GLY 46 N -0.83 2.09 0.07 6.12 0.00 0.11 -4.47 107.32 110.43 3ff0 s GLY 46 Ca 0.18 0.64 0.05 0.00 0.00 0.00 0.00 44.72 45.59 3ff0 s GLY 46 CO 0.10 1.02 -0.14 0.00 0.00 0.00 0.00 173.10 174.09 3ff0 n GLY 48 N 1.28 2.49 0.00 0.00 0.00 0.29 -1.65 105.19 107.60 3ff0 n GLY 48 Ca -0.21 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3ff0 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ff0 n GLY 49 N -0.54 0.90 3.25 -0.02 0.00 -1.09 -0.13 105.19 107.56 3ff0 n GLY 49 Ca 0.03 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 3ff0 n GLY 49 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ff0 s LEU 50 N 0.00 2.62 0.00 0.99 2.96 -0.63 -1.30 118.68 123.32 3ff0 s LEU 50 Ca 0.00 -0.47 0.21 0.00 -0.22 0.00 0.00 54.13 53.65 3ff0 s LEU 50 Cb 0.00 -1.64 0.21 0.00 0.50 0.00 0.00 46.19 45.26 3ff0 s LEU 50 CO 0.00 0.00 1.20 0.79 -1.32 0.00 0.00 176.35 177.02 3ff0 n TRP 51 N 4.63 0.10 -3.96 5.38 8.01 0.75 -1.18 117.44 131.16 3ff0 n TRP 51 Ca -0.19 -0.06 -0.30 0.00 -1.31 0.00 0.00 57.50 55.64 3ff0 n TRP 51 Cb 0.51 -0.00 -0.14 0.00 -2.01 0.00 0.00 31.31 29.66 3ff0 n TRP 51 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 3ff0 s THR 52 N -1.66 2.33 0.28 -0.99 -4.23 -1.24 -4.83 115.64 105.30 3ff0 s THR 52 Ca 0.27 -2.77 0.06 0.00 -1.18 0.00 0.00 61.69 58.07 3ff0 s THR 52 Cb 0.18 -2.67 -0.06 0.00 1.34 0.00 0.00 72.50 71.30 3ff0 s THR 52 CO 0.27 -0.71 -0.06 0.42 -0.54 0.00 0.00 174.62 174.00 3ff0 s THR 53 N 0.35 1.62 0.46 3.99 -4.23 -1.26 -4.84 115.64 111.73 3ff0 s THR 53 Ca 0.14 -2.12 0.24 0.00 -1.18 0.00 0.00 61.69 58.77 3ff0 s THR 53 Cb -0.22 -2.45 0.27 0.00 1.34 0.00 0.00 72.50 71.44 3ff0 s THR 53 CO -0.05 -0.30 2.09 -2.24 -0.54 0.00 0.00 174.62 173.58 3ff0 h ASP 54 N 2.28 0.00 1.23 3.99 3.04 -1.99 -2.72 116.42 122.25 3ff0 h ASP 54 Ca -0.40 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.36 3ff0 h ASP 54 Cb 1.23 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.52 3ff0 h ASP 54 CO 0.67 0.11 -0.79 0.71 -2.04 0.00 0.00 179.24 177.91 3ff0 h THR 55 N 0.00 0.14 0.00 1.15 1.35 -2.02 -3.47 112.91 110.06 3ff0 h THR 55 Ca -0.00 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 3ff0 h THR 55 Cb 0.26 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3ff0 h THR 55 CO 0.01 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 3ff0 n GLY 56 N 1.20 1.42 3.61 5.82 0.00 -1.03 -5.03 105.19 111.17 3ff0 n GLY 56 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3ff0 n GLY 56 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ff0 s SER 57 N -3.20 5.27 0.62 1.61 0.15 -1.26 -4.93 113.70 111.96 3ff0 s SER 57 Ca 0.00 0.04 -0.16 0.00 0.70 0.00 0.00 55.95 56.53 3ff0 s SER 57 Cb 0.00 -1.78 -0.02 0.00 -1.71 0.00 0.00 66.02 62.51 3ff0 s SER 57 CO 0.00 0.23 1.11 -2.16 1.20 0.00 0.00 173.24 173.63 3ff0 s PRO 58 N -0.01 3.01 -0.46 5.44 0.04 -1.26 -4.72 135.00 137.04 3ff0 s PRO 58 Ca 0.04 1.45 -0.21 0.00 0.04 0.00 0.00 61.00 62.32 3ff0 s PRO 58 Cb -0.13 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.47 3ff0 s PRO 58 CO 0.02 -1.09 0.69 0.42 0.04 0.00 0.00 177.00 177.07 3ff0 s ILE 59 N -2.16 4.77 -0.24 0.56 1.01 -0.33 -4.96 121.20 119.85 3ff0 s ILE 59 Ca 0.69 0.07 -0.07 0.00 0.00 0.00 0.00 60.65 61.34 3ff0 s ILE 59 Cb -0.21 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 37.96 3ff0 s ILE 59 CO 0.36 -0.69 0.06 -0.69 0.00 0.00 0.00 174.94 173.98 3ff0 s VAL 60 N 2.95 4.30 -0.43 2.92 1.01 -1.26 -1.61 120.40 128.28 3ff0 s VAL 60 Ca 0.23 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 3ff0 s VAL 60 Cb -0.14 -3.00 0.07 0.00 0.00 0.00 0.00 36.38 33.30 3ff0 s VAL 60 CO 0.18 0.35 0.29 -0.63 0.00 0.00 0.00 175.10 175.30 3ff0 s ILE 61 N 1.52 4.58 -0.20 2.22 -1.09 0.81 -4.98 121.20 124.05 3ff0 s ILE 61 Ca 0.06 -1.22 -0.05 0.00 -2.23 0.00 0.00 60.65 57.20 3ff0 s ILE 61 Cb -0.15 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 36.96 3ff0 s ILE 61 CO 0.03 -0.49 0.01 -0.60 -1.23 0.00 0.00 174.94 172.66 3ff0 s ARG 62 N 1.51 3.62 0.00 2.79 3.52 -1.26 -0.55 118.95 128.58 3ff0 s ARG 62 Ca 0.03 -0.52 0.00 0.00 -0.13 0.00 0.00 55.73 55.12 3ff0 s ARG 62 Cb -0.23 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.06 3ff0 s ARG 62 CO 0.04 -0.01 0.00 0.41 -0.81 0.00 0.00 175.30 174.93 3ff0 n GLY 63 N 4.31 2.16 0.33 8.12 0.00 0.15 -4.40 105.19 115.86 3ff0 n GLY 63 Ca -0.17 -1.67 0.01 0.00 0.00 0.00 0.00 46.02 44.20 3ff0 n GLY 63 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ff0 h LYS 64 N 0.00 0.81 -0.54 1.61 3.64 -1.21 -0.55 116.57 120.33 3ff0 h LYS 64 Ca 0.00 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 3ff0 h LYS 64 Cb 0.00 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 3ff0 h LYS 64 CO 0.00 0.55 0.07 -0.44 -2.27 0.00 0.00 179.45 177.36 3ff0 h ASP 65 N 0.83 0.87 -0.16 4.20 3.32 -1.88 -0.79 116.42 122.81 3ff0 h ASP 65 Ca 0.22 -0.27 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 3ff0 h ASP 65 Cb -0.06 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 3ff0 h ASP 65 CO -0.04 0.92 -0.23 0.11 -1.72 0.00 0.00 179.24 178.28 3ff0 h LYS 66 N 0.79 0.60 -0.48 3.56 1.79 -1.61 -1.70 116.57 119.51 3ff0 h LYS 66 Ca 0.16 -0.23 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 3ff0 h LYS 66 Cb 0.43 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 3ff0 h LYS 66 CO 0.01 0.78 0.22 -0.07 -1.08 0.00 0.00 179.45 179.32 3ff0 h LEU 67 N 0.53 0.64 -0.81 2.94 3.38 -0.92 0.14 115.31 121.22 3ff0 h LEU 67 Ca 0.08 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3ff0 h LEU 67 Cb 0.68 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3ff0 h LEU 67 CO 0.05 0.61 0.53 0.00 0.09 0.00 0.00 178.44 179.72 3ff0 h ALA 68 N 1.06 1.05 -0.18 1.53 0.00 -0.97 -1.95 119.26 119.80 3ff0 h ALA 68 Ca 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3ff0 h ALA 68 Cb 0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3ff0 h ALA 68 CO -0.02 0.39 0.02 1.49 0.00 0.00 0.00 179.25 181.14 3ff0 h GLU 69 N 1.06 0.31 -0.46 0.00 4.81 -1.12 -2.97 114.58 116.22 3ff0 h GLU 69 Ca 0.31 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.48 3ff0 h GLU 69 Cb -0.06 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3ff0 h GLU 69 CO -0.09 0.49 0.30 1.25 -0.73 0.00 0.00 179.01 180.23 3ff0 h HIS 70 N 0.09 0.50 -0.68 0.92 2.76 -0.82 -1.81 115.15 116.10 3ff0 h HIS 70 Ca 0.05 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.26 3ff0 h HIS 70 Cb 0.33 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 29.09 3ff0 h HIS 70 CO 0.02 0.29 0.45 0.00 -1.30 0.00 0.00 177.93 177.40 3ff0 h ALA 71 N 1.73 1.59 -0.16 5.26 0.00 -1.19 0.95 119.26 127.45 3ff0 h ALA 71 Ca 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3ff0 h ALA 71 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3ff0 h ALA 71 CO -0.04 0.35 0.05 0.28 0.00 0.00 0.00 179.25 179.88 3ff0 h VAL 72 N 0.84 1.18 -0.88 0.00 2.07 -1.34 -0.87 116.25 117.25 3ff0 h VAL 72 Ca 0.27 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3ff0 h VAL 72 Cb 0.03 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3ff0 h VAL 72 CO -0.07 0.17 0.53 -0.25 0.02 0.00 0.00 177.57 177.97 3ff0 h TRP 73 N 0.08 1.16 -0.39 1.57 7.01 -1.38 -2.28 115.95 121.71 3ff0 h TRP 73 Ca 0.05 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 3ff0 h TRP 73 Cb 0.22 -0.38 -0.02 0.00 -2.10 0.00 0.00 29.16 26.88 3ff0 h TRP 73 CO -0.00 0.77 0.13 1.03 -2.79 0.00 0.00 178.44 177.57 3ff0 h SER 74 N 1.22 0.57 0.31 2.65 0.87 -0.57 -0.61 113.55 117.98 3ff0 h SER 74 Ca 0.32 -0.20 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 3ff0 h SER 74 Cb -0.05 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 3ff0 h SER 74 CO -0.06 0.62 -0.25 -0.07 -0.53 0.00 0.00 176.83 176.54 3ff0 h LEU 75 N 0.49 0.00 -0.04 2.23 3.38 -1.04 0.24 115.31 120.56 3ff0 h LEU 75 Ca 0.13 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3ff0 h LEU 75 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3ff0 h LEU 75 CO -0.00 0.25 -0.20 0.50 0.09 0.00 0.00 178.44 179.07 3ff0 h LYS 76 N 0.00 0.22 0.00 1.13 3.64 -1.06 -3.22 116.57 117.28 3ff0 h LYS 76 Ca -0.00 -0.17 -0.17 0.00 -1.27 0.00 0.00 60.65 59.04 3ff0 h LYS 76 Cb 0.47 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 3ff0 h LYS 76 CO 0.03 0.82 -1.06 0.00 -2.27 0.00 0.00 179.45 176.98 3ff0 n PHE 78 N -3.11 1.54 0.25 0.00 3.72 0.82 -0.39 117.46 120.29 3ff0 n PHE 78 Ca -0.05 -3.84 0.12 0.00 -0.05 0.00 0.00 57.45 53.63 3ff0 n PHE 78 Cb 0.85 -0.44 0.65 0.00 -0.94 0.00 0.00 39.48 39.60 3ff0 n PHE 78 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3ff0 h PRO 79 N 4.12 0.00 0.00 -1.08 0.13 -1.72 -3.10 132.00 130.36 3ff0 h PRO 79 Ca 0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3ff0 h PRO 79 Cb 0.78 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 3ff0 h PRO 79 CO 0.64 0.15 -0.09 -0.40 -0.23 0.00 0.00 178.00 178.06 3ff0 n ASP 80 N -3.49 2.01 -4.71 1.44 5.75 -1.26 -4.87 116.55 111.42 3ff0 n ASP 80 Ca -0.01 -2.98 -0.43 0.00 -0.01 0.00 0.00 54.79 51.36 3ff0 n ASP 80 Cb 0.30 -0.40 -0.03 0.00 -1.03 0.00 0.00 41.12 39.96 3ff0 n ASP 80 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 3ff0 n TRP 81 N -1.23 2.63 -4.39 2.11 -0.00 -1.17 -4.78 117.44 110.61 3ff0 n TRP 81 Ca 0.14 0.18 -0.19 0.00 -0.00 0.00 0.00 57.50 57.63 3ff0 n TRP 81 Cb 0.65 -2.61 -0.14 0.00 -0.00 0.00 0.00 31.31 29.21 3ff0 n TRP 81 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 177.69 175.86 3ff0 s GLU 82 N 0.55 0.82 0.26 5.87 -1.05 -0.84 -4.61 118.70 119.70 3ff0 s GLU 82 Ca 0.72 -0.46 -0.20 0.00 -0.15 0.00 0.00 54.97 54.89 3ff0 s GLU 82 Cb -0.55 -0.78 -0.09 0.00 -0.44 0.00 0.00 34.13 32.27 3ff0 s GLU 82 CO 0.39 0.21 0.76 -1.58 0.95 0.00 0.00 175.26 175.99 3ff0 s TRP 83 N -0.42 3.60 0.22 4.83 0.52 -1.26 -1.89 118.94 124.53 3ff0 s TRP 83 Ca 0.03 1.41 -0.16 0.00 0.02 0.00 0.00 56.10 57.39 3ff0 s TRP 83 Cb -0.05 -2.65 0.02 0.00 -1.15 0.00 0.00 33.47 29.64 3ff0 s TRP 83 CO -0.00 0.27 0.52 1.52 0.02 0.00 0.00 176.95 179.28 3ff0 s TYR 84 N -1.63 0.03 -1.32 -1.98 1.13 -0.23 -4.92 117.35 108.44 3ff0 s TYR 84 Ca 0.46 -0.39 -0.01 0.00 -1.41 0.00 0.00 57.07 55.72 3ff0 s TYR 84 Cb -0.16 0.35 0.00 0.00 -1.10 0.00 0.00 41.96 41.06 3ff0 s TYR 84 CO 0.20 -0.96 0.73 0.09 -2.51 0.00 0.00 175.55 173.10 3ff0 n ASN 85 N -0.36 -1.41 -4.67 -0.18 3.02 -1.26 -0.60 115.26 109.81 3ff0 n ASN 85 Ca -0.07 -0.81 -0.41 0.00 -0.03 0.00 0.00 54.58 53.26 3ff0 n ASN 85 Cb 0.62 -4.09 -0.04 0.00 -0.61 0.00 0.00 39.78 35.65 3ff0 n ASN 85 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ff0 s ILE 86 N -3.64 4.91 -0.23 2.41 1.01 -1.26 -4.17 121.20 120.22 3ff0 s ILE 86 Ca 0.04 1.53 0.02 0.00 0.00 0.00 0.00 60.65 62.24 3ff0 s ILE 86 Cb -0.02 -4.09 0.05 0.00 0.01 0.00 0.00 42.46 38.41 3ff0 s ILE 86 CO 0.81 0.04 -0.09 -0.54 0.00 0.00 0.00 174.94 175.16 3ff0 s LYS 87 N 2.15 1.98 -0.23 2.79 1.02 0.30 -5.01 119.74 122.73 3ff0 s LYS 87 Ca 0.36 -1.07 -0.12 0.00 0.02 0.00 0.00 55.97 55.15 3ff0 s LYS 87 Cb -0.16 -2.65 -0.05 0.00 -0.52 0.00 0.00 37.83 34.45 3ff0 s LYS 87 CO 0.12 -0.53 0.24 0.08 -0.92 0.00 0.00 175.35 174.33 3ff0 s VAL 88 N 1.29 5.30 -0.28 3.17 1.01 -1.26 -1.01 120.40 128.62 3ff0 s VAL 88 Ca -0.05 0.34 -0.04 0.00 0.00 0.00 0.00 61.98 62.22 3ff0 s VAL 88 Cb -0.18 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.64 3ff0 s VAL 88 CO -0.06 0.30 0.03 -0.36 0.00 0.00 0.00 175.10 175.00 3ff0 s PHE 89 N 1.23 3.14 0.77 5.22 0.08 0.11 -5.02 117.98 123.51 3ff0 s PHE 89 Ca 0.11 -1.31 -0.13 0.00 0.12 0.00 0.00 56.93 55.72 3ff0 s PHE 89 Cb -0.14 -2.17 0.06 0.00 -0.57 0.00 0.00 43.02 40.20 3ff0 s PHE 89 CO 0.06 -0.67 1.17 -1.21 -0.10 0.00 0.00 175.22 174.47 3ff0 s GLU 90 N 1.41 1.98 0.43 0.44 2.02 -1.26 -1.55 118.70 122.16 3ff0 s GLU 90 Ca 0.01 1.59 0.03 0.00 0.02 0.00 0.00 54.97 56.62 3ff0 s GLU 90 Cb -0.17 -1.83 -0.03 0.00 0.10 0.00 0.00 34.13 32.19 3ff0 s GLU 90 CO -0.00 -1.92 0.07 0.95 0.02 0.00 0.00 175.26 174.38 3ff0 s THR 91 N -2.30 0.93 0.60 3.63 -4.23 -1.17 -4.84 115.64 108.26 3ff0 s THR 91 Ca 0.70 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.51 3ff0 s THR 91 Cb -0.25 -2.40 0.36 0.00 1.34 0.00 0.00 72.50 71.55 3ff0 s THR 91 CO 0.49 0.00 2.17 -2.24 -0.54 0.00 0.00 174.62 174.50 3ff0 h ASP 92 N 1.70 0.00 -3.56 3.99 2.03 -1.98 -3.36 116.42 115.24 3ff0 h ASP 92 Ca -0.39 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.28 3ff0 h ASP 92 Cb 1.28 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.65 3ff0 h ASP 92 CO 0.65 0.00 0.24 -0.62 -1.03 0.00 0.00 179.24 178.48 3ff0 s ASP 93 N -5.87 6.47 0.41 4.15 -1.08 -1.26 -4.96 116.67 114.52 3ff0 s ASP 93 Ca -0.05 0.18 0.23 0.00 -0.52 0.00 0.00 52.55 52.39 3ff0 s ASP 93 Cb 0.15 -2.36 1.24 0.00 -1.46 0.00 0.00 42.92 40.50 3ff0 s ASP 93 CO 0.53 -0.67 1.67 -0.65 0.52 0.00 0.00 175.17 176.57 3ff0 h PRO 94 N 8.52 0.00 -0.02 4.34 0.11 -1.92 -1.66 132.00 141.37 3ff0 h PRO 94 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3ff0 h PRO 94 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3ff0 h PRO 94 CO 0.87 0.00 -0.11 0.09 -0.21 0.00 0.00 178.00 178.65 3ff0 n ASN 95 N -2.37 2.56 -4.18 -2.05 3.02 -1.26 -4.34 115.26 106.64 3ff0 n ASN 95 Ca -0.02 -1.80 -0.30 0.00 -0.03 0.00 0.00 54.58 52.43 3ff0 n ASN 95 Cb 0.17 0.10 -0.17 0.00 -0.61 0.00 0.00 39.78 39.27 3ff0 n ASN 95 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3ff0 s HIS 96 N -2.12 2.22 0.08 3.10 2.46 -0.63 -0.36 115.29 120.05 3ff0 s HIS 96 Ca 0.27 -0.84 0.04 0.00 0.47 0.00 0.00 55.06 55.01 3ff0 s HIS 96 Cb 0.20 -1.50 -0.03 0.00 -0.13 0.00 0.00 32.58 31.12 3ff0 s HIS 96 CO 0.37 -0.34 -0.12 -0.06 -2.47 0.00 0.00 174.74 172.12 3ff0 s PHE 97 N 0.31 1.13 0.01 3.88 0.40 -0.23 -3.06 117.98 120.42 3ff0 s PHE 97 Ca -0.14 -0.53 0.08 0.00 -0.60 0.00 0.00 56.93 55.74 3ff0 s PHE 97 Cb -0.16 -0.63 -0.02 0.00 0.51 0.00 0.00 43.02 42.72 3ff0 s PHE 97 CO 0.06 0.04 -0.25 -1.58 0.70 0.00 0.00 175.22 174.19 3ff0 s TRP 98 N -1.72 2.24 -0.10 0.36 0.52 -0.60 -1.06 118.94 118.58 3ff0 s TRP 98 Ca 0.00 -0.41 0.02 0.00 0.02 0.00 0.00 56.10 55.73 3ff0 s TRP 98 Cb -0.07 -1.39 0.01 0.00 -1.15 0.00 0.00 33.47 30.87 3ff0 s TRP 98 CO 0.02 0.04 -0.14 0.08 0.02 0.00 0.00 176.95 176.96 3ff0 s VAL 99 N -0.69 1.39 -0.16 4.03 1.01 0.24 0.05 120.40 126.28 3ff0 s VAL 99 Ca 0.10 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 3ff0 s VAL 99 Cb -0.10 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3ff0 s VAL 99 CO 0.00 0.42 0.06 -0.70 0.00 0.00 0.00 175.10 174.89 3ff0 s GLU 100 N 0.96 3.73 0.33 2.72 2.12 -0.18 -0.11 118.70 128.27 3ff0 s GLU 100 Ca -0.08 -0.32 -0.17 0.00 0.36 0.00 0.00 54.97 54.76 3ff0 s GLU 100 Cb -0.15 -3.14 0.03 0.00 0.26 0.00 0.00 34.13 31.14 3ff0 s GLU 100 CO -0.01 0.42 0.72 0.00 -0.54 0.00 0.00 175.26 175.86 3ff0 s ASP 102 N -3.01 5.60 -0.08 0.00 1.01 0.23 -0.07 116.67 120.37 3ff0 s ASP 102 Ca 0.15 -0.27 -0.13 0.00 0.71 0.00 0.00 52.55 53.01 3ff0 s ASP 102 Cb -0.05 -1.33 0.03 0.00 1.01 0.00 0.00 42.92 42.57 3ff0 s ASP 102 CO 0.10 -0.16 0.32 -0.83 0.21 0.00 0.00 175.17 174.80 3ff0 s GLY 103 N -3.93 -0.20 0.14 0.21 0.00 -0.16 -1.07 107.32 102.31 3ff0 s GLY 103 Ca 0.36 0.66 -0.22 0.00 0.00 0.00 0.00 44.72 45.52 3ff0 s GLY 103 CO 0.26 0.50 0.56 -2.38 0.00 0.00 0.00 173.10 172.04 3ff0 s HIS 104 N -0.47 -0.47 0.00 1.90 -3.43 -0.79 -0.82 115.29 111.20 3ff0 s HIS 104 Ca -0.06 0.29 0.00 0.00 -0.80 0.00 0.00 55.06 54.49 3ff0 s HIS 104 Cb -0.04 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.59 3ff0 s HIS 104 CO 0.02 -0.80 0.00 0.41 -2.00 0.00 0.00 174.74 172.37 3ff0 n GLY 105 N -0.23 -0.25 3.76 -1.38 0.00 -0.21 -1.98 105.19 104.89 3ff0 n GLY 105 Ca -0.17 -1.26 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 3ff0 n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ff0 s LYS 106 N -2.00 3.34 -0.12 1.61 1.02 -1.26 -0.27 119.74 122.06 3ff0 s LYS 106 Ca 0.00 2.12 0.03 0.00 0.02 0.00 0.00 55.97 58.14 3ff0 s LYS 106 Cb 0.00 -2.32 0.01 0.00 -0.52 0.00 0.00 37.83 35.00 3ff0 s LYS 106 CO 0.00 -1.00 -0.21 -1.50 -0.92 0.00 0.00 175.35 171.72 3ff0 s ILE 107 N -1.36 1.93 -0.57 2.17 2.07 -0.25 -4.23 121.20 120.96 3ff0 s ILE 107 Ca 0.69 -0.92 0.04 0.00 -1.41 0.00 0.00 60.65 59.05 3ff0 s ILE 107 Cb -0.37 -1.70 0.16 0.00 0.13 0.00 0.00 42.46 40.67 3ff0 s ILE 107 CO 0.45 0.53 0.38 -0.76 -1.91 0.00 0.00 174.94 173.62 3ff0 s LEU 108 N 0.65 3.78 -0.17 8.50 1.43 0.47 -1.69 118.68 131.64 3ff0 s LEU 108 Ca -0.12 -3.34 -0.12 0.00 -1.03 0.00 0.00 54.13 49.51 3ff0 s LEU 108 Cb -0.16 -1.33 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 3ff0 s LEU 108 CO 0.03 -0.16 0.24 -0.36 0.23 0.00 0.00 176.35 176.32 3ff0 s PHE 109 N -0.66 3.45 0.19 0.29 0.40 -1.26 -4.39 117.98 115.99 3ff0 s PHE 109 Ca 0.23 0.51 -0.33 0.00 -0.60 0.00 0.00 56.93 56.74 3ff0 s PHE 109 Cb -0.11 -2.27 -0.14 0.00 0.51 0.00 0.00 43.02 41.01 3ff0 s PHE 109 CO -0.11 0.27 1.52 -2.30 0.70 0.00 0.00 175.22 175.29 3ff0 n PRO 110 N 3.52 2.10 -0.04 0.24 -0.02 -1.26 -1.66 135.00 137.88 3ff0 n PRO 110 Ca -0.13 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3ff0 n PRO 110 Cb 0.52 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 3ff0 n PRO 110 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ff0 n GLY 111 N 2.97 0.44 3.31 -1.23 0.00 -1.26 -5.05 105.19 104.36 3ff0 n GLY 111 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 3ff0 n GLY 111 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ff0 s TYR 112 N -2.17 1.61 0.43 1.61 2.02 -0.67 -5.13 117.35 115.06 3ff0 s TYR 112 Ca 0.00 -0.56 -0.25 0.00 -0.37 0.00 0.00 57.07 55.89 3ff0 s TYR 112 Cb 0.00 -0.79 -0.08 0.00 -0.40 0.00 0.00 41.96 40.69 3ff0 s TYR 112 CO 0.00 0.27 1.27 -2.14 -1.57 0.00 0.00 175.55 173.38 3ff0 s PRO 113 N -3.19 3.86 0.28 -1.71 0.02 -1.26 -4.65 135.00 128.34 3ff0 s PRO 113 Ca 0.17 2.06 -0.29 0.00 0.02 0.00 0.00 61.00 62.96 3ff0 s PRO 113 Cb -0.03 -2.64 -0.14 0.00 0.02 0.00 0.00 34.50 31.72 3ff0 s PRO 113 CO 0.05 -0.55 1.17 -1.91 -0.33 0.00 0.00 177.00 175.43 3ff0 n GLU 114 N -0.10 1.65 -4.21 5.54 2.13 -1.26 -4.81 120.64 119.58 3ff0 n GLU 114 Ca 0.05 0.58 -0.17 0.00 0.66 0.00 0.00 57.16 58.28 3ff0 n GLU 114 Cb 0.45 -2.07 -0.07 0.00 0.27 0.00 0.00 31.44 30.01 3ff0 n GLU 114 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3ff0 s GLY 115 N -0.28 1.97 -0.12 8.31 0.00 -0.68 -5.01 107.32 111.51 3ff0 s GLY 115 Ca 0.61 -1.86 0.01 0.00 0.00 0.00 0.00 44.72 43.48 3ff0 s GLY 115 CO 0.58 -1.32 -0.16 -0.47 0.00 0.00 0.00 173.10 171.73 3ff0 s TYR 116 N -3.42 2.74 -0.11 1.90 5.04 -1.26 -1.09 117.35 121.15 3ff0 s TYR 116 Ca 0.37 -0.73 0.02 0.00 -2.44 0.00 0.00 57.07 54.30 3ff0 s TYR 116 Cb 0.02 -1.80 -0.01 0.00 0.35 0.00 0.00 41.96 40.52 3ff0 s TYR 116 CO 0.24 -0.25 -0.19 -0.47 -1.34 0.00 0.00 175.55 173.54 3ff0 s TYR 117 N 0.30 2.68 -0.03 4.97 5.04 0.63 -4.45 117.35 126.49 3ff0 s TYR 117 Ca -0.12 -0.84 -0.01 0.00 -2.44 0.00 0.00 57.07 53.66 3ff0 s TYR 117 Cb -0.16 -1.77 0.03 0.00 0.35 0.00 0.00 41.96 40.41 3ff0 s TYR 117 CO 0.06 -0.31 0.05 -2.00 -1.34 0.00 0.00 175.55 172.02 3ff0 s GLU 118 N 0.32 -0.06 0.18 4.97 2.56 -1.26 -1.04 118.70 124.37 3ff0 s GLU 118 Ca -0.14 0.32 -0.08 0.00 0.00 0.00 0.00 54.97 55.06 3ff0 s GLU 118 Cb -0.17 -0.44 -0.01 0.00 2.00 0.00 0.00 34.13 35.51 3ff0 s GLU 118 CO 0.07 -0.28 0.29 1.21 -0.56 0.00 0.00 175.26 175.99 3ff0 s ASN 119 N 1.85 0.04 -0.10 -1.70 3.84 0.00 -4.82 114.94 114.06 3ff0 s ASN 119 Ca 0.01 -0.97 0.03 0.00 0.21 0.00 0.00 52.86 52.14 3ff0 s ASN 119 Cb -0.12 0.45 -0.01 0.00 -0.55 0.00 0.00 41.25 41.02 3ff0 s ASN 119 CO -0.03 -0.93 -0.19 -2.28 -2.79 0.00 0.00 177.10 170.89 3ff0 s HIS 120 N -4.01 2.66 0.03 0.43 5.65 -1.26 -0.99 115.29 117.80 3ff0 s HIS 120 Ca 0.21 -0.75 0.06 0.00 0.25 0.00 0.00 55.06 54.84 3ff0 s HIS 120 Cb 0.03 -1.74 -0.02 0.00 -1.18 0.00 0.00 32.58 29.67 3ff0 s HIS 120 CO 0.03 -0.24 -0.19 -0.06 -0.65 0.00 0.00 174.74 173.63 3ff0 s PHE 121 N 0.16 1.66 -0.11 3.88 0.40 0.91 -3.64 117.98 121.24 3ff0 s PHE 121 Ca -0.10 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 3ff0 s PHE 121 Cb -0.16 -1.00 -0.02 0.00 0.51 0.00 0.00 43.02 42.35 3ff0 s PHE 121 CO 0.06 0.06 -0.12 -0.51 0.70 0.00 0.00 175.22 175.41 3ff0 s LEU 122 N -1.01 2.83 -0.11 -0.37 2.01 0.36 -1.14 118.68 121.25 3ff0 s LEU 122 Ca 0.06 -0.25 0.01 0.00 0.01 0.00 0.00 54.13 53.97 3ff0 s LEU 122 Cb -0.08 -1.63 -0.01 0.00 0.01 0.00 0.00 46.19 44.48 3ff0 s LEU 122 CO 0.01 0.22 -0.16 -1.00 1.01 0.00 0.00 176.35 176.43 3ff0 s HIS 123 N -0.00 2.72 -0.19 0.29 3.76 0.85 -0.37 115.29 122.35 3ff0 s HIS 123 Ca -0.03 -0.70 -0.10 0.00 -0.15 0.00 0.00 55.06 54.09 3ff0 s HIS 123 Cb -0.14 -1.78 -0.05 0.00 1.11 0.00 0.00 32.58 31.72 3ff0 s HIS 123 CO 0.04 -0.22 0.13 0.45 -0.85 0.00 0.00 174.74 174.29 3ff0 s SER 124 N 0.22 6.23 -0.07 1.40 0.15 -0.08 -0.59 113.70 120.96 3ff0 s SER 124 Ca -0.10 0.25 0.04 0.00 0.70 0.00 0.00 55.95 56.84 3ff0 s SER 124 Cb -0.16 -2.09 -0.00 0.00 -1.71 0.00 0.00 66.02 62.06 3ff0 s SER 124 CO 0.06 0.20 -0.22 -0.36 1.20 0.00 0.00 173.24 174.12 3ff0 s PHE 125 N 0.25 2.24 -0.08 3.44 0.08 -0.22 -1.00 117.98 122.68 3ff0 s PHE 125 Ca 0.09 -0.79 0.04 0.00 0.12 0.00 0.00 56.93 56.38 3ff0 s PHE 125 Cb -0.11 -1.50 -0.01 0.00 -0.57 0.00 0.00 43.02 40.83 3ff0 s PHE 125 CO -0.01 -0.30 -0.21 -1.21 -0.10 0.00 0.00 175.22 173.38 3ff0 s GLU 126 N 0.19 2.82 0.22 0.44 2.02 0.03 -1.07 118.70 123.35 3ff0 s GLU 126 Ca -0.11 -0.83 0.07 0.00 0.02 0.00 0.00 54.97 54.11 3ff0 s GLU 126 Cb -0.15 -2.31 -0.05 0.00 0.10 0.00 0.00 34.13 31.72 3ff0 s GLU 126 CO 0.06 0.33 -0.10 -0.51 0.02 0.00 0.00 175.26 175.06 3ff0 s LEU 127 N -0.01 2.49 -0.17 1.80 1.02 0.51 -0.37 118.68 123.95 3ff0 s LEU 127 Ca -0.07 -1.09 -0.02 0.00 0.02 0.00 0.00 54.13 52.97 3ff0 s LEU 127 Cb -0.15 -0.58 0.05 0.00 0.02 0.00 0.00 46.19 45.54 3ff0 s LEU 127 CO 0.05 -0.28 0.02 -0.62 0.02 0.00 0.00 176.35 175.54 3ff0 s ASP 128 N -3.33 2.72 -1.45 2.29 2.15 0.47 -4.78 116.67 114.73 3ff0 s ASP 128 Ca 0.24 -0.69 -0.03 0.00 0.43 0.00 0.00 52.55 52.50 3ff0 s ASP 128 Cb 0.02 -0.63 0.00 0.00 -0.30 0.00 0.00 42.92 42.01 3ff0 s ASP 128 CO 0.08 -0.27 0.25 -0.67 -0.17 0.00 0.00 175.17 174.39 3ff0 n ASP 129 N 5.03 -0.16 0.00 -0.34 2.03 -1.26 -1.24 116.55 120.61 3ff0 n ASP 129 Ca -0.09 -1.16 0.00 0.00 0.52 0.00 0.00 54.79 54.06 3ff0 n ASP 129 Cb 0.48 -2.26 0.00 0.00 -0.72 0.00 0.00 41.12 38.61 3ff0 n ASP 129 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ff0 n GLY 130 N -2.27 1.04 3.58 0.27 0.00 -1.26 -5.00 105.19 101.54 3ff0 n GLY 130 Ca -0.30 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 3ff0 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ff0 s LYS 131 N -0.51 2.49 -0.07 1.61 -0.14 -0.37 -4.75 119.74 118.00 3ff0 s LYS 131 Ca 0.00 -0.75 -0.28 0.00 -1.36 0.00 0.00 55.97 53.58 3ff0 s LYS 131 Cb 0.00 -2.46 -0.02 0.00 -1.68 0.00 0.00 37.83 33.66 3ff0 s LYS 131 CO 0.00 0.59 0.91 0.42 -0.76 0.00 0.00 175.35 176.51 3ff0 s ILE 132 N -0.99 4.88 -0.16 2.17 1.01 0.53 -0.39 121.20 128.25 3ff0 s ILE 132 Ca 0.17 1.86 -0.20 0.00 0.00 0.00 0.00 60.65 62.49 3ff0 s ILE 132 Cb -0.11 -4.23 -0.23 0.00 0.01 0.00 0.00 42.46 37.89 3ff0 s ILE 132 CO 0.07 0.11 0.41 0.11 0.00 0.00 0.00 174.94 175.64 3ff0 h LYS 133 N 6.97 0.10 -3.05 2.79 1.57 -1.02 -1.49 116.57 122.44 3ff0 h LYS 133 Ca -0.36 -0.17 -0.17 0.00 -1.87 0.00 0.00 60.65 58.08 3ff0 h LYS 133 Cb 1.18 0.06 -0.27 0.00 0.08 0.00 0.00 32.23 33.28 3ff0 h LYS 133 CO 0.80 1.08 -0.44 0.50 -0.57 0.00 0.00 179.45 180.82 3ff0 s ARG 134 N -2.40 0.27 -0.09 3.15 3.52 -0.94 -0.87 118.95 121.60 3ff0 s ARG 134 Ca -0.24 0.45 0.03 0.00 -0.13 0.00 0.00 55.73 55.85 3ff0 s ARG 134 Cb 0.04 0.03 0.01 0.00 -1.56 0.00 0.00 34.95 33.46 3ff0 s ARG 134 CO 0.67 -0.10 -0.19 0.54 -0.81 0.00 0.00 175.30 175.42 3ff0 s ASN 135 N 0.67 2.55 -0.12 -2.12 4.22 -0.66 -0.79 114.94 118.70 3ff0 s ASN 135 Ca -0.04 -0.45 0.03 0.00 -2.14 0.00 0.00 52.86 50.26 3ff0 s ASN 135 Cb -0.06 -1.17 0.01 0.00 1.28 0.00 0.00 41.25 41.31 3ff0 s ASN 135 CO -0.04 0.11 -0.23 -0.13 -2.04 0.00 0.00 177.10 174.77 3ff0 s ARG 136 N 0.47 3.01 -0.14 3.55 0.52 -0.17 -2.66 118.95 123.53 3ff0 s ARG 136 Ca -0.17 -0.86 -0.11 0.00 -0.52 0.00 0.00 55.73 54.07 3ff0 s ARG 136 Cb -0.17 -2.35 -0.05 0.00 0.52 0.00 0.00 34.95 32.90 3ff0 s ARG 136 CO 0.07 0.08 0.21 -1.21 0.02 0.00 0.00 175.30 174.46 3ff0 s GLU 137 N 0.59 3.92 0.02 3.54 2.02 -0.42 -0.90 118.70 127.48 3ff0 s GLU 137 Ca -0.13 -0.04 0.05 0.00 0.02 0.00 0.00 54.97 54.88 3ff0 s GLU 137 Cb -0.17 -3.32 -0.02 0.00 0.10 0.00 0.00 34.13 30.72 3ff0 s GLU 137 CO 0.03 0.49 -0.16 -0.06 0.02 0.00 0.00 175.26 175.58 3ff0 s PHE 138 N -0.24 1.43 -0.45 1.61 0.40 0.50 -0.18 117.98 121.04 3ff0 s PHE 138 Ca 0.14 -0.32 -0.13 0.00 -0.60 0.00 0.00 56.93 56.02 3ff0 s PHE 138 Cb -0.12 -0.88 0.07 0.00 0.51 0.00 0.00 43.02 42.60 3ff0 s PHE 138 CO 0.03 0.02 0.35 1.21 0.70 0.00 0.00 175.22 177.53 3ff0 s ASN 140 N -0.81 5.97 0.62 1.36 3.84 -1.24 -0.48 114.94 124.20 3ff0 s ASN 140 Ca 0.05 -1.39 0.32 0.00 0.21 0.00 0.00 52.86 52.05 3ff0 s ASN 140 Cb -0.07 -2.12 1.83 0.00 -0.55 0.00 0.00 41.25 40.35 3ff0 s ASN 140 CO 0.01 -0.61 2.14 -0.37 -2.79 0.00 0.00 177.10 175.48 3ff0 h VAL 141 N 5.87 0.30 0.00 -5.21 -1.51 -1.96 -1.44 116.25 112.30 3ff0 h VAL 141 Ca -0.27 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.18 3ff0 h VAL 141 Cb 1.10 0.86 -0.00 0.00 -2.13 0.00 0.00 31.29 31.12 3ff0 h VAL 141 CO 0.84 0.00 -0.12 -0.26 -1.23 0.00 0.00 177.57 176.80 3ff0 h PHE 142 N 0.00 0.00 -0.32 5.19 0.05 -2.00 -3.01 116.94 116.85 3ff0 h PHE 142 Ca 0.05 0.00 -0.10 0.00 3.82 0.00 0.00 57.97 61.74 3ff0 h PHE 142 Cb 0.37 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.31 3ff0 h PHE 142 CO 0.00 0.12 -0.20 1.96 -0.18 0.00 0.00 178.31 180.01 3ff0 h GLN 143 N 0.00 0.61 -0.29 1.51 1.08 -1.59 -2.07 115.11 114.36 3ff0 h GLN 143 Ca -0.00 -0.22 -0.17 0.00 -1.45 0.00 0.00 58.65 56.81 3ff0 h GLN 143 Cb 0.97 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.36 3ff0 h GLN 143 CO 0.02 0.77 -0.50 0.37 -0.95 0.00 0.00 178.83 178.53 3ff0 h GLN 144 N 0.54 0.81 -0.46 1.46 4.15 -1.65 -1.76 115.11 118.19 3ff0 h GLN 144 Ca 0.08 -0.48 0.06 0.00 0.77 0.00 0.00 58.65 59.08 3ff0 h GLN 144 Cb 0.64 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.33 3ff0 h GLN 144 CO 0.05 1.12 0.17 -0.07 -1.93 0.00 0.00 178.83 178.16 3ff0 h LEU 145 N 0.63 0.18 -0.41 -2.39 3.38 -1.47 -1.87 115.31 113.36 3ff0 h LEU 145 Ca 0.03 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3ff0 h LEU 145 Cb 1.09 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 3ff0 h LEU 145 CO 0.11 0.13 0.24 0.03 0.09 0.00 0.00 178.44 179.05 3ff0 h ARG 146 N 0.34 0.48 -0.68 1.13 3.08 -1.23 -0.36 114.38 117.15 3ff0 h ARG 146 Ca 0.22 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.32 3ff0 h ARG 146 Cb 0.22 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 3ff0 h ARG 146 CO -0.22 0.32 0.45 0.00 -1.07 0.00 0.00 179.97 179.45 3ff0 h ALA 147 N 1.18 1.81 -0.43 0.04 0.00 -1.02 -2.16 119.26 118.68 3ff0 h ALA 147 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ff0 h ALA 147 Cb -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3ff0 h ALA 147 CO -0.07 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3ff0 n LEU 148 N -4.48 2.35 -2.21 0.00 4.77 -0.73 -4.22 117.00 112.47 3ff0 n LEU 148 Ca 0.10 -1.16 -0.21 0.00 -0.03 0.00 0.00 56.01 54.71 3ff0 n LEU 148 Cb 0.28 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3ff0 n LEU 148 CO 0.34 0.58 -0.25 -1.20 -1.33 0.00 0.00 177.39 175.52 3ff0 n SER 149 N 0.78 -5.82 -4.70 -1.43 7.64 -0.81 -4.58 113.62 104.70 3ff0 n SER 149 Ca 0.15 0.09 -0.39 0.00 1.01 0.00 0.00 58.87 59.73 3ff0 n SER 149 Cb 0.38 -4.89 -0.06 0.00 -1.01 0.00 0.00 64.21 58.63 3ff0 n SER 149 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ff0 s ILE 150 N -2.98 5.09 0.30 0.44 1.01 -0.20 -5.03 121.20 119.83 3ff0 s ILE 150 Ca 0.00 1.18 -0.30 0.00 0.00 0.00 0.00 60.65 61.53 3ff0 s ILE 150 Cb 0.00 -3.93 -0.12 0.00 0.01 0.00 0.00 42.46 38.43 3ff0 s ILE 150 CO 0.00 0.23 1.59 -2.65 0.00 0.00 0.00 174.94 174.11 3ff0 n PRO 151 N 4.18 2.71 -3.52 2.79 -0.02 -1.26 -4.18 135.00 135.69 3ff0 n PRO 151 Ca -0.03 0.96 -0.38 0.00 -2.02 0.00 0.00 63.50 62.03 3ff0 n PRO 151 Cb 0.51 -2.74 -0.09 0.00 -0.02 0.00 0.00 33.50 31.16 3ff0 n PRO 151 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ff0 s VAL 152 N -0.12 5.27 0.49 -1.45 1.01 -1.26 -5.02 120.40 119.32 3ff0 s VAL 152 Ca 0.63 0.42 -0.23 0.00 0.00 0.00 0.00 61.98 62.80 3ff0 s VAL 152 Cb -0.49 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.21 3ff0 s VAL 152 CO 0.50 0.27 1.30 -2.16 0.00 0.00 0.00 175.10 175.01 3ff0 s PRO 153 N 1.38 3.50 -0.26 2.72 0.04 -1.26 -5.00 135.00 136.13 3ff0 s PRO 153 Ca 0.13 2.11 -0.10 0.00 0.04 0.00 0.00 61.00 63.17 3ff0 s PRO 153 Cb -0.15 -2.42 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 3ff0 s PRO 153 CO 0.07 -0.86 0.16 -0.65 0.04 0.00 0.00 177.00 175.76 3ff0 s GLN 154 N -2.69 3.96 -0.32 4.56 1.11 -1.26 -5.06 119.66 119.96 3ff0 s GLN 154 Ca 0.66 -0.32 -0.20 0.00 0.01 0.00 0.00 55.36 55.50 3ff0 s GLN 154 Cb -0.37 -3.55 -0.01 0.00 -1.01 0.00 0.00 33.01 28.08 3ff0 s GLN 154 CO 0.45 -0.06 0.63 0.42 0.01 0.00 0.00 175.29 176.74 3ff0 s ILE 155 N 1.40 4.92 -0.17 1.08 1.01 -1.26 -5.04 121.20 123.14 3ff0 s ILE 155 Ca 0.07 0.79 -0.27 0.00 0.00 0.00 0.00 60.65 61.24 3ff0 s ILE 155 Cb -0.15 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 3ff0 s ILE 155 CO 0.07 -0.19 0.92 -0.54 0.00 0.00 0.00 174.94 175.20 3ff0 s LYS 156 N 2.64 4.31 -0.85 2.79 3.01 -1.26 -4.99 119.74 125.38 3ff0 s LYS 156 Ca 0.25 1.18 0.00 0.00 -1.01 0.00 0.00 55.97 56.39 3ff0 s LYS 156 Cb -0.15 -3.59 0.24 0.00 -1.01 0.00 0.00 37.83 33.32 3ff0 s LYS 156 CO 0.13 -0.41 0.88 0.54 0.51 0.00 0.00 175.35 176.99 3ff0 n ARG 157 N 5.50 2.87 -1.70 1.68 1.74 -1.26 -5.06 116.66 120.44 3ff0 n ARG 157 Ca 0.07 -4.55 -0.42 0.00 -0.77 0.00 0.00 57.85 52.19 3ff0 n ARG 157 Cb 0.48 -2.38 -0.03 0.00 -1.02 0.00 0.00 32.46 29.51 3ff0 n ARG 157 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3ff0 s GLU 158 N -1.92 4.14 0.00 5.56 4.04 -1.26 -1.96 118.70 127.29 3ff0 s GLU 158 Ca 0.31 2.61 0.00 0.00 0.04 0.00 0.00 54.97 57.93 3ff0 s GLU 158 Cb 0.01 -3.71 0.00 0.00 0.02 0.00 0.00 34.13 30.44 3ff0 s GLU 158 CO -0.06 -0.87 0.00 0.41 -1.84 0.00 0.00 175.26 172.90 3ff0 n GLY 159 N 4.31 0.83 3.68 -3.83 0.00 -1.26 -5.00 105.19 103.91 3ff0 n GLY 159 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 3ff0 n GLY 159 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3ff0 n ILE 160 N -2.28 0.51 -2.73 -0.61 3.06 -0.83 -4.94 119.36 111.53 3ff0 n ILE 160 Ca 0.00 -0.09 -0.41 0.00 -2.50 0.00 0.00 62.75 59.75 3ff0 n ILE 160 Cb 0.00 -1.99 -0.04 0.00 0.54 0.00 0.00 39.64 38.14 3ff0 n ILE 160 CO 0.00 0.00 0.00 -2.84 -2.50 0.00 0.00 176.55 171.21 3ff0 s PRO 161 N 3.47 4.66 0.00 9.51 0.02 -1.26 -5.15 135.00 146.26 3ff0 s PRO 161 Ca 0.88 1.43 0.00 0.00 0.02 0.00 0.00 61.00 63.33 3ff0 s PRO 161 Cb -0.58 -3.39 0.00 0.00 0.02 0.00 0.00 34.50 30.54 3ff0 s PRO 161 CO 0.44 0.16 0.00 0.25 -0.33 0.00 0.00 177.00 177.53