#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5d n LEU 3 N 0.00 5.54 -3.34 2.45 4.32 -1.26 -4.79 117.00 119.91 3d5d n LEU 3 Ca 0.00 -3.96 0.02 0.00 -0.02 0.00 0.00 56.01 52.05 3d5d n LEU 3 Cb 0.00 -1.71 -0.04 0.00 -1.62 0.00 0.00 43.42 40.05 3d5d n LEU 3 CO 0.00 0.42 0.76 1.51 -1.22 0.00 0.00 177.39 178.86 3d5d s ASP 4 N 3.95 -0.34 0.27 -1.43 -4.77 -1.26 -5.17 116.67 107.92 3d5d s ASP 4 Ca 0.52 0.47 -0.19 0.00 -3.30 0.00 0.00 52.55 50.05 3d5d s ASP 4 Cb 0.07 1.36 0.07 0.00 -1.09 0.00 0.00 42.92 43.33 3d5d s ASP 4 CO 0.02 -0.07 0.94 -0.76 0.70 0.00 0.00 175.17 176.00 3d5d s LEU 5 N 2.13 0.01 -0.01 2.11 1.43 -1.26 -5.06 118.68 118.03 3d5d s LEU 5 Ca -0.02 -0.88 -0.08 0.00 -1.03 0.00 0.00 54.13 52.12 3d5d s LEU 5 Cb -0.03 2.41 -0.05 0.00 0.03 0.00 0.00 46.19 48.55 3d5d s LEU 5 CO -0.16 -1.29 0.60 0.00 0.23 0.00 0.00 176.35 175.73 3d5d h ALA 6 N 2.00 -0.55 -0.91 4.21 0.00 -2.00 -3.27 119.26 118.74 3d5d h ALA 6 Ca -0.30 -0.07 0.26 0.00 0.00 0.00 0.00 54.91 54.81 3d5d h ALA 6 Cb 1.23 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 3d5d h ALA 6 CO 0.38 -0.53 0.71 -0.07 0.00 0.00 0.00 179.25 179.74 3d5d h LEU 7 N -0.54 0.00 0.00 0.00 3.38 -1.95 -0.11 115.31 116.08 3d5d h LEU 7 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3d5d h LEU 7 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3d5d h LEU 7 CO 0.05 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.75 3d5d n LYS 8 N -4.07 0.00 0.06 1.13 4.81 -1.24 -2.43 118.16 116.42 3d5d n LYS 8 Ca 0.19 0.31 0.07 0.00 -0.87 0.00 0.00 58.31 58.01 3d5d n LYS 8 Cb 1.02 -1.12 0.32 0.00 0.02 0.00 0.00 35.03 35.28 3d5d n LYS 8 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3d5d n ARG 9 N -1.09 0.07 -0.10 1.64 1.74 -0.79 -1.46 116.66 116.67 3d5d n ARG 9 Ca 0.00 0.42 -0.10 0.00 -0.77 0.00 0.00 57.85 57.40 3d5d n ARG 9 Cb 0.00 -1.67 -0.03 0.00 -1.02 0.00 0.00 32.46 29.75 3d5d n ARG 9 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3d5d h LYS 10 N 0.00 0.49 -0.36 5.56 1.57 -0.93 0.20 116.57 123.10 3d5d h LYS 10 Ca 0.00 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 3d5d h LYS 10 Cb 0.18 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3d5d h LYS 10 CO 0.00 0.54 -0.23 -0.92 -0.57 0.00 0.00 179.45 178.27 3d5d h TYR 11 N 0.35 0.81 0.00 -1.35 3.20 -0.90 -1.34 116.97 117.73 3d5d h TYR 11 Ca 0.10 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3d5d h TYR 11 Cb 0.26 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.34 3d5d h TYR 11 CO 0.01 0.88 0.00 0.66 -1.64 0.00 0.00 178.16 178.07 3d5d n TYR 12 N -4.11 0.00 -2.70 -3.82 4.02 -1.08 -0.55 117.16 108.91 3d5d n TYR 12 Ca -0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 3d5d n TYR 12 Cb 0.43 -0.21 0.01 0.00 -0.02 0.00 0.00 39.34 39.55 3d5d n TYR 12 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 3d5d n GLU 13 N -1.13 4.65 0.00 -0.72 0.28 0.68 -3.81 120.64 120.59 3d5d n GLU 13 Ca 0.00 -4.33 0.00 0.00 -0.16 0.00 0.00 57.16 52.67 3d5d n GLU 13 Cb 0.00 -2.57 0.00 0.00 1.43 0.00 0.00 31.44 30.30 3d5d n GLU 13 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3d5d n GLU 14 N 1.33 0.00 -0.02 3.44 2.13 -1.17 -4.82 120.64 121.53 3d5d n GLU 14 Ca 0.38 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 58.07 3d5d n GLU 14 Cb 0.31 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.92 3d5d n GLU 14 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3d5d h VAL 15 N 0.00 1.40 -0.38 6.31 2.07 -1.31 -2.95 116.25 121.39 3d5d h VAL 15 Ca 0.00 -1.23 0.06 0.00 0.82 0.00 0.00 66.70 66.36 3d5d h VAL 15 Cb 0.00 2.17 -0.09 0.00 -1.52 0.00 0.00 31.29 31.86 3d5d h VAL 15 CO 0.00 0.33 -0.46 -0.09 0.02 0.00 0.00 177.57 177.37 3d5d h ARG 16 N -0.43 -0.35 -0.65 1.57 9.65 -0.92 0.37 114.38 123.61 3d5d h ARG 16 Ca 0.00 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 3d5d h ARG 16 Cb 0.54 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.17 3d5d h ARG 16 CO 0.01 -0.23 0.41 -1.00 2.80 0.00 0.00 179.97 181.96 3d5d h PRO 17 N -0.37 0.87 -0.12 0.20 0.13 -1.76 -1.94 132.00 129.02 3d5d h PRO 17 Ca 0.12 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3d5d h PRO 17 Cb 0.60 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 3d5d h PRO 17 CO -0.56 0.60 0.07 0.93 -0.23 0.00 0.00 178.00 178.81 3d5d h GLU 18 N 0.89 0.15 0.00 0.86 3.07 -1.13 0.22 114.58 118.64 3d5d h GLU 18 Ca 0.24 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 3d5d h GLU 18 Cb -0.06 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.81 3d5d h GLU 18 CO -0.05 0.11 0.00 -0.07 -1.40 0.00 0.00 179.01 177.60 3d5d h LEU 19 N 0.16 0.00 0.00 1.33 3.38 -0.19 0.38 115.31 120.37 3d5d h LEU 19 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3d5d h LEU 19 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3d5d h LEU 19 CO -0.01 0.00 -0.26 -0.38 0.09 0.00 0.00 178.44 177.89 3d5d n ILE 20 N -3.08 0.22 -0.09 1.22 2.08 0.70 -2.74 119.36 117.68 3d5d n ILE 20 Ca 0.02 -0.13 -0.09 0.00 0.56 0.00 0.00 62.75 63.10 3d5d n ILE 20 Cb 0.37 -0.27 -0.03 0.00 -0.75 0.00 0.00 39.64 38.97 3d5d n ILE 20 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3d5d n ARG 21 N -1.82 0.50 0.30 0.38 0.63 -0.43 -2.55 116.66 113.67 3d5d n ARG 21 Ca 0.05 0.36 0.17 0.00 -0.92 0.00 0.00 57.85 57.51 3d5d n ARG 21 Cb 0.38 -1.56 0.97 0.00 0.45 0.00 0.00 32.46 32.71 3d5d n ARG 21 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3d5d h ARG 22 N -1.00 0.00 0.00 -0.14 3.08 -1.17 -3.36 114.38 111.79 3d5d h ARG 22 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3d5d h ARG 22 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3d5d h ARG 22 CO -0.03 0.02 -0.31 1.19 -1.07 0.00 0.00 179.97 179.77 3d5d n PHE 23 N -3.61 -0.05 0.00 3.04 3.01 -1.24 -5.11 117.46 113.51 3d5d n PHE 23 Ca -0.03 0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.44 3d5d n PHE 23 Cb 0.10 0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 3d5d n PHE 23 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3d5d n GLY 24 N 1.98 -1.78 0.00 1.37 0.00 -1.06 -5.01 105.19 100.68 3d5d n GLY 24 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3d5d n GLY 24 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3d5d n TYR 25 N -0.32 0.00 0.05 1.61 4.01 -1.26 -4.96 117.16 116.29 3d5d n TYR 25 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3d5d n TYR 25 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3d5d n TYR 25 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 3d5d n GLN 26 N 0.00 0.00 -4.16 -0.72 7.27 -1.26 -5.10 117.38 113.42 3d5d n GLN 26 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.73 3d5d n GLN 26 Cb 0.00 -0.29 -0.08 0.00 2.41 0.00 0.00 30.24 32.29 3d5d n GLN 26 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 3d5d s ASN 27 N -5.31 5.58 0.44 1.69 3.04 -1.26 -5.01 114.94 114.11 3d5d s ASN 27 Ca 0.00 0.15 0.10 0.00 0.04 0.00 0.00 52.86 53.15 3d5d s ASN 27 Cb 0.00 -1.60 0.98 0.00 -1.54 0.00 0.00 41.25 39.09 3d5d s ASN 27 CO 0.00 0.30 2.07 0.58 -3.04 0.00 0.00 177.10 177.01 3d5d h VAL 28 N 3.48 1.05 -0.11 -5.21 2.07 -1.99 -1.41 116.25 114.14 3d5d h VAL 28 Ca -0.50 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3d5d h VAL 28 Cb 1.19 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3d5d h VAL 28 CO 0.60 0.07 0.00 0.79 0.02 0.00 0.00 177.57 179.05 3d5d n TRP 29 N -4.49 0.27 -0.08 1.57 7.02 -1.26 -3.18 117.44 117.29 3d5d n TRP 29 Ca 0.03 -0.10 -0.11 0.00 -1.02 0.00 0.00 57.50 56.29 3d5d n TRP 29 Cb 0.11 -0.10 -0.09 0.00 -2.42 0.00 0.00 31.31 28.81 3d5d n TRP 29 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 3d5d n GLU 30 N 0.00 0.79 -1.70 -0.99 1.02 -0.53 -4.98 120.64 114.25 3d5d n GLU 30 Ca 0.04 0.07 -0.43 0.00 -0.02 0.00 0.00 57.16 56.83 3d5d n GLU 30 Cb 0.28 -1.35 -0.03 0.00 -0.02 0.00 0.00 31.44 30.31 3d5d n GLU 30 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 3d5d n VAL 31 N -2.88 0.05 -1.48 2.62 3.14 -1.19 -4.83 118.33 113.76 3d5d n VAL 31 Ca -0.29 -0.01 -0.52 0.00 -2.96 0.00 0.00 64.34 60.56 3d5d n VAL 31 Cb 0.86 -1.91 -0.07 0.00 -1.06 0.00 0.00 33.84 31.66 3d5d n VAL 31 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3d5d n PRO 32 N 4.09 1.09 -3.91 1.45 -0.02 -1.26 -4.95 135.00 131.49 3d5d n PRO 32 Ca 0.17 0.32 -0.35 0.00 -2.02 0.00 0.00 63.50 61.62 3d5d n PRO 32 Cb 0.34 -2.37 -0.10 0.00 -0.02 0.00 0.00 33.50 31.35 3d5d n PRO 32 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3d5d s ARG 33 N 5.70 3.91 -0.05 -0.52 3.00 -1.26 -4.90 118.95 124.84 3d5d s ARG 33 Ca 1.08 -0.37 -0.30 0.00 0.00 0.00 0.00 55.73 56.14 3d5d s ARG 33 Cb -0.92 -3.28 -0.05 0.00 0.00 0.00 0.00 34.95 30.70 3d5d s ARG 33 CO 0.53 0.14 1.56 -1.17 0.00 0.00 0.00 175.30 176.35 3d5d s LEU 34 N 0.75 4.31 0.00 2.53 1.98 -1.26 -3.73 118.68 123.27 3d5d s LEU 34 Ca 0.04 2.17 0.00 0.00 -2.89 0.00 0.00 54.13 53.45 3d5d s LEU 34 Cb -0.13 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 43.18 3d5d s LEU 34 CO 0.02 -0.86 0.00 -1.84 -1.89 0.00 0.00 176.35 171.78 3d5d n GLU 35 N 6.61 0.00 -5.13 1.98 -0.00 -1.23 -5.03 120.64 117.83 3d5d n GLU 35 Ca 0.16 0.00 -0.30 0.00 -0.00 0.00 0.00 57.16 57.02 3d5d n GLU 35 Cb 0.43 -0.50 -0.17 0.00 -0.00 0.00 0.00 31.44 31.21 3d5d n GLU 35 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 3d5d s LYS 36 N -1.00 2.61 -0.02 3.44 2.20 -1.13 -4.48 119.74 121.35 3d5d s LYS 36 Ca 0.00 -0.81 -0.00 0.00 -0.36 0.00 0.00 55.97 54.80 3d5d s LYS 36 Cb 0.00 -2.08 0.03 0.00 -1.51 0.00 0.00 37.83 34.27 3d5d s LYS 36 CO 0.00 0.24 0.03 0.08 -0.36 0.00 0.00 175.35 175.34 3d5d s VAL 37 N 0.17 -0.02 0.23 4.02 1.01 -1.20 0.10 120.40 124.71 3d5d s VAL 37 Ca -0.12 0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.16 3d5d s VAL 37 Cb -0.16 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 3d5d s VAL 37 CO 0.06 0.11 -0.14 -0.69 0.00 0.00 0.00 175.10 174.44 3d5d s VAL 38 N 1.18 1.83 0.24 2.92 1.01 -0.89 -1.77 120.40 124.93 3d5d s VAL 38 Ca -0.08 -2.23 0.04 0.00 0.00 0.00 0.00 61.98 59.72 3d5d s VAL 38 Cb -0.13 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 3d5d s VAL 38 CO -0.03 -0.51 -0.02 -0.63 0.00 0.00 0.00 175.10 173.91 3d5d s ILE 39 N -2.91 1.18 0.03 2.22 1.01 -0.69 -1.05 121.20 120.99 3d5d s ILE 39 Ca 0.25 -2.05 -0.27 0.00 0.00 0.00 0.00 60.65 58.57 3d5d s ILE 39 Cb -0.01 -2.36 0.08 0.00 0.01 0.00 0.00 42.46 40.18 3d5d s ILE 39 CO 0.09 -0.32 0.70 0.21 0.00 0.00 0.00 174.94 175.61 3d5d s ASN 40 N -3.34 -0.57 -0.23 3.58 3.04 0.57 -3.39 114.94 114.60 3d5d s ASN 40 Ca 0.28 0.33 -0.03 0.00 0.04 0.00 0.00 52.86 53.48 3d5d s ASN 40 Cb 0.05 0.53 0.11 0.00 -1.54 0.00 0.00 41.25 40.40 3d5d s ASN 40 CO 0.09 -0.73 0.27 -1.10 -3.04 0.00 0.00 177.10 172.59 3d5d s GLN 41 N -2.42 0.25 -0.80 0.43 -0.21 0.11 -1.69 119.66 115.33 3d5d s GLN 41 Ca -0.04 0.17 -0.25 0.00 0.02 0.00 0.00 55.36 55.26 3d5d s GLN 41 Cb -0.01 -0.94 -0.09 0.00 1.00 0.00 0.00 33.01 32.98 3d5d s GLN 41 CO -0.02 -0.75 2.21 0.20 -2.12 0.00 0.00 175.29 174.81 3d5d s GLY 42 N 2.37 -0.37 -1.08 3.09 0.00 -1.26 -1.66 107.32 108.41 3d5d s GLY 42 Ca 0.09 -1.00 -0.04 0.00 0.00 0.00 0.00 44.72 43.77 3d5d s GLY 42 CO -0.18 3.91 1.56 1.04 0.00 0.00 0.00 173.10 179.42 3d5d n LEU 43 N 16.43 6.61 0.14 0.66 4.32 -1.25 -4.51 117.00 139.39 3d5d n LEU 43 Ca 0.42 -5.23 0.13 0.00 -0.02 0.00 0.00 56.01 51.31 3d5d n LEU 43 Cb 0.46 -1.26 0.37 0.00 -1.62 0.00 0.00 43.42 41.36 3d5d n LEU 43 CO 0.58 1.75 0.87 1.23 -1.22 0.00 0.00 177.39 180.60 3d5d h GLY 44 N 5.30 0.00 1.03 -0.72 0.00 -1.89 -3.25 103.07 103.54 3d5d h GLY 44 Ca 0.26 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.38 3d5d h GLY 44 CO 1.32 0.00 -0.82 0.83 0.00 0.00 0.00 176.54 177.88 3d5d h GLU 45 N 0.00 0.60 -0.93 4.80 5.08 -1.92 -3.22 114.58 118.99 3d5d h GLU 45 Ca 0.00 -0.61 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 3d5d h GLU 45 Cb 0.77 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3d5d h GLU 45 CO 0.00 1.22 0.00 0.00 -1.00 0.00 0.00 179.01 179.23 3d5d n ALA 46 N -2.62 2.46 0.08 3.43 0.00 -1.22 -3.89 120.51 118.75 3d5d n ALA 46 Ca -0.10 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.30 3d5d n ALA 46 Cb 0.77 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 3d5d n ALA 46 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3d5d h LYS 47 N 0.02 -0.24 -1.01 0.00 3.11 -1.69 -3.35 116.57 113.41 3d5d h LYS 47 Ca 0.00 0.02 0.02 0.00 -2.81 0.00 0.00 60.65 57.88 3d5d h LYS 47 Cb 0.47 0.06 -0.05 0.00 -1.00 0.00 0.00 32.23 31.70 3d5d h LYS 47 CO 0.00 -0.16 0.66 0.93 -2.81 0.00 0.00 179.45 178.07 3d5d h GLU 48 N -0.65 1.29 -4.09 1.90 5.08 -1.83 -3.38 114.58 112.90 3d5d h GLU 48 Ca -0.03 -0.08 -0.74 0.00 -1.00 0.00 0.00 59.36 57.52 3d5d h GLU 48 Cb 0.19 -0.29 -0.29 0.00 0.50 0.00 0.00 28.75 28.86 3d5d h GLU 48 CO 0.04 0.85 -0.29 -0.51 -1.00 0.00 0.00 179.01 178.11 3d5d s ASP 49 N -6.07 5.86 0.54 1.42 1.01 -1.26 -4.86 116.67 113.31 3d5d s ASP 49 Ca -0.13 -2.18 0.32 0.00 0.71 0.00 0.00 52.55 51.27 3d5d s ASP 49 Cb 0.18 -2.04 1.42 0.00 1.01 0.00 0.00 42.92 43.50 3d5d s ASP 49 CO 0.82 -0.64 2.02 0.00 0.21 0.00 0.00 175.17 177.57 3d5d h ALA 50 N 8.16 1.06 0.38 5.23 0.00 -1.75 -2.06 119.26 130.28 3d5d h ALA 50 Ca -0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3d5d h ALA 50 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3d5d h ALA 50 CO 0.84 0.09 -0.18 0.00 0.00 0.00 0.00 179.25 180.00 3d5d h ARG 51 N 0.00 -0.49 -0.00 0.00 3.08 -1.91 -2.62 114.38 112.44 3d5d h ARG 51 Ca -0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3d5d h ARG 51 Cb 0.47 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 3d5d h ARG 51 CO 0.01 -0.18 0.01 0.82 -1.07 0.00 0.00 179.97 179.56 3d5d h ILE 52 N -0.82 0.14 -0.02 2.04 1.08 -1.89 -2.39 117.51 115.66 3d5d h ILE 52 Ca -0.05 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.41 3d5d h ILE 52 Cb 0.53 0.99 -0.00 0.00 -3.07 0.00 0.00 36.82 35.27 3d5d h ILE 52 CO 0.09 0.00 -0.01 0.25 -0.69 0.00 0.00 178.15 177.79 3d5d h LEU 53 N 0.00 0.03 -0.89 1.44 5.85 -1.04 -2.91 115.31 117.79 3d5d h LEU 53 Ca 0.00 -0.40 -0.05 0.00 0.84 0.00 0.00 57.88 58.26 3d5d h LEU 53 Cb 0.02 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3d5d h LEU 53 CO -0.00 0.43 0.19 -0.33 -0.34 0.00 0.00 178.44 178.39 3d5d h GLU 54 N -0.36 1.01 0.02 1.25 5.08 -1.08 -2.66 114.58 117.83 3d5d h GLU 54 Ca 0.00 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3d5d h GLU 54 Cb 0.42 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 3d5d h GLU 54 CO 0.00 0.88 -0.33 -0.22 -1.00 0.00 0.00 179.01 178.34 3d5d h LYS 55 N 0.98 -0.47 -0.83 2.33 1.63 -1.49 0.30 116.57 119.02 3d5d h LYS 55 Ca 0.21 0.03 0.06 0.00 -0.85 0.00 0.00 60.65 60.10 3d5d h LYS 55 Cb 0.30 0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 31.97 3d5d h LYS 55 CO -0.01 -0.31 0.51 0.00 -3.45 0.00 0.00 179.45 176.19 3d5d h ALA 56 N 0.22 1.14 -0.15 5.00 0.00 -1.43 0.13 119.26 124.16 3d5d h ALA 56 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3d5d h ALA 56 Cb 0.57 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3d5d h ALA 56 CO -0.26 0.26 0.06 0.00 0.00 0.00 0.00 179.25 179.31 3d5d h ALA 57 N 1.39 0.20 -0.46 0.00 0.00 -1.00 -0.99 119.26 118.41 3d5d h ALA 57 Ca 0.36 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 3d5d h ALA 57 Cb 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3d5d h ALA 57 CO -0.17 -0.20 -0.07 -0.56 0.00 0.00 0.00 179.25 178.25 3d5d h GLN 58 N 0.09 0.86 -0.09 0.00 3.07 -0.10 -0.38 115.11 118.56 3d5d h GLN 58 Ca 0.05 -0.31 0.04 0.00 0.09 0.00 0.00 58.65 58.52 3d5d h GLN 58 Cb 0.19 -0.06 -0.05 0.00 0.08 0.00 0.00 27.48 27.64 3d5d h GLN 58 CO -0.00 0.94 -0.22 0.93 0.09 0.00 0.00 178.83 180.57 3d5d h GLU 59 N 0.70 -0.29 -0.81 0.06 5.08 -0.94 -1.62 114.58 116.77 3d5d h GLU 59 Ca 0.12 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.65 3d5d h GLU 59 Cb 0.60 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.82 3d5d h GLU 59 CO 0.04 -0.19 0.37 1.25 -1.00 0.00 0.00 179.01 179.48 3d5d h LEU 60 N -0.30 0.41 -0.86 1.33 7.12 -0.83 -1.43 115.31 120.74 3d5d h LEU 60 Ca 0.09 0.10 0.20 0.00 0.13 0.00 0.00 57.88 58.40 3d5d h LEU 60 Cb 0.43 0.05 -0.12 0.00 -0.53 0.00 0.00 40.66 40.49 3d5d h LEU 60 CO -0.27 0.16 0.34 0.00 -0.13 0.00 0.00 178.44 178.54 3d5d h ALA 61 N 1.56 1.31 0.40 1.25 0.00 -0.06 -0.04 119.26 123.68 3d5d h ALA 61 Ca 0.44 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.50 3d5d h ALA 61 Cb 0.66 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3d5d h ALA 61 CO -0.39 -0.34 -0.19 -0.07 0.00 0.00 0.00 179.25 178.26 3d5d h LEU 62 N 0.37 -0.46 -2.40 0.00 4.07 -1.12 0.41 115.31 116.18 3d5d h LEU 62 Ca 0.52 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.36 3d5d h LEU 62 Cb 0.97 0.12 -0.00 0.00 1.08 0.00 0.00 40.66 42.83 3d5d h LEU 62 CO -0.53 -0.07 -0.03 0.16 -1.08 0.00 0.00 178.44 176.89 3d5d h ILE 63 N -0.93 0.39 0.00 1.22 3.07 -1.23 -2.27 117.51 117.75 3d5d h ILE 63 Ca -0.06 -0.17 -0.30 0.00 1.55 0.00 0.00 64.86 65.89 3d5d h ILE 63 Cb 0.55 1.12 -0.05 0.00 -0.27 0.00 0.00 36.82 38.17 3d5d h ILE 63 CO 0.09 0.03 -2.12 1.07 -1.05 0.00 0.00 178.15 176.17 3d5d n THR 64 N -3.57 1.26 -2.21 0.16 5.66 -0.08 -4.89 114.28 110.62 3d5d n THR 64 Ca -0.02 -0.79 -0.10 0.00 -3.05 0.00 0.00 64.05 60.08 3d5d n THR 64 Cb 0.13 -0.55 -0.00 0.00 -1.55 0.00 0.00 70.33 68.36 3d5d n THR 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3d5d n GLY 65 N 1.63 -0.03 0.00 1.09 0.00 0.12 -4.78 105.19 103.22 3d5d n GLY 65 Ca -0.25 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3d5d n GLY 65 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3d5d n GLN 66 N -1.97 0.11 -4.01 1.61 7.27 -1.14 -4.95 117.38 114.29 3d5d n GLN 66 Ca -0.11 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.62 3d5d n GLN 66 Cb 0.59 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 33.09 3d5d n GLN 66 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3d5d s LYS 67 N 1.97 3.01 0.71 3.69 1.02 -1.26 -4.73 119.74 124.14 3d5d s LYS 67 Ca 0.00 -0.85 -0.16 0.00 0.02 0.00 0.00 55.97 54.98 3d5d s LYS 67 Cb 0.00 -2.82 0.03 0.00 -0.52 0.00 0.00 37.83 34.51 3d5d s LYS 67 CO 0.00 -0.28 1.26 -1.25 -0.92 0.00 0.00 175.35 174.16 3d5d s PRO 68 N 1.34 2.17 0.34 -1.68 0.04 -1.26 -4.86 135.00 131.09 3d5d s PRO 68 Ca 0.03 1.95 0.03 0.00 0.04 0.00 0.00 61.00 63.05 3d5d s PRO 68 Cb -0.15 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 3d5d s PRO 68 CO -0.08 -1.86 0.12 0.00 0.04 0.00 0.00 177.00 175.23 3d5d s ALA 69 N -1.69 2.37 -0.03 8.56 0.00 -0.95 -5.04 121.76 124.99 3d5d s ALA 69 Ca 0.79 -1.66 0.03 0.00 0.00 0.00 0.00 51.96 51.13 3d5d s ALA 69 Cb -0.34 0.88 -0.00 0.00 0.00 0.00 0.00 23.12 23.66 3d5d s ALA 69 CO 0.44 -0.40 -0.13 0.14 0.00 0.00 0.00 175.76 175.82 3d5d s VAL 70 N -3.41 1.05 -0.35 0.00 -7.23 -1.26 -3.58 120.40 105.62 3d5d s VAL 70 Ca 0.32 -0.52 0.01 0.00 -1.81 0.00 0.00 61.98 59.98 3d5d s VAL 70 Cb 0.05 -0.90 0.15 0.00 0.56 0.00 0.00 36.38 36.24 3d5d s VAL 70 CO 0.16 0.31 0.31 0.28 -0.31 0.00 0.00 175.10 175.84 3d5d s THR 71 N -0.01 -0.18 1.22 5.32 -1.32 0.23 -4.88 115.64 116.02 3d5d s THR 71 Ca -0.01 -1.15 -0.20 0.00 -1.21 0.00 0.00 61.69 59.12 3d5d s THR 71 Cb -0.08 -0.85 0.30 0.00 -1.51 0.00 0.00 72.50 70.35 3d5d s THR 71 CO 0.01 -0.70 1.10 0.54 -2.21 0.00 0.00 174.62 173.35 3d5d n ARG 72 N 4.34 -3.09 -0.37 7.08 1.74 -1.26 -0.80 116.66 124.31 3d5d n ARG 72 Ca 0.09 -1.75 -0.02 0.00 -0.77 0.00 0.00 57.85 55.40 3d5d n ARG 72 Cb 0.43 -1.62 0.01 0.00 -1.02 0.00 0.00 32.46 30.25 3d5d n ARG 72 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d5d n ALA 73 N -4.84 -0.05 0.00 7.54 0.00 -1.25 -4.67 120.51 117.24 3d5d n ALA 73 Ca -0.21 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3d5d n ALA 73 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3d5d n ALA 73 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3d5d n LYS 74 N -1.15 0.00 0.00 0.00 3.00 -1.26 -4.23 118.16 114.52 3d5d n LYS 74 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 3d5d n LYS 74 Cb 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 35.03 34.73 3d5d n LYS 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3d5d n LYS 75 N -1.57 0.00 -2.76 1.64 4.76 -1.26 -4.53 118.16 114.44 3d5d n LYS 75 Ca 0.00 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.45 3d5d n LYS 75 Cb 0.00 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.20 3d5d n LYS 75 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3d5d s SER 76 N -1.72 -0.33 -0.98 4.39 0.01 -1.25 -3.97 113.70 109.85 3d5d s SER 76 Ca 0.00 -0.20 -0.24 0.00 1.31 0.00 0.00 55.95 56.83 3d5d s SER 76 Cb 0.00 0.43 -0.03 0.00 0.21 0.00 0.00 66.02 66.62 3d5d s SER 76 CO 0.00 -0.03 1.85 -0.63 0.41 0.00 0.00 173.24 174.84 3d5d s ILE 77 N 1.84 3.57 0.30 1.44 -1.09 0.25 -4.78 121.20 122.72 3d5d s ILE 77 Ca 0.16 -0.59 -0.01 0.00 -2.23 0.00 0.00 60.65 57.97 3d5d s ILE 77 Cb 0.04 -4.32 0.23 0.00 -1.58 0.00 0.00 42.46 36.83 3d5d s ILE 77 CO -0.14 -1.16 1.93 0.77 -1.23 0.00 0.00 174.94 175.11 3d5d h SER 78 N 10.63 0.87 -0.85 3.58 4.64 -1.97 -1.97 113.55 128.48 3d5d h SER 78 Ca 0.15 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 3d5d h SER 78 Cb 0.99 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.82 3d5d h SER 78 CO 1.26 0.69 0.42 0.78 -0.87 0.00 0.00 176.83 179.10 3d5d h ASN 79 N 1.00 1.11 -1.15 4.97 4.21 -1.90 -3.29 115.58 120.52 3d5d h ASN 79 Ca 0.26 -0.13 -0.57 0.00 1.21 0.00 0.00 56.30 57.07 3d5d h ASN 79 Cb -0.01 -0.28 -0.42 0.00 -1.12 0.00 0.00 38.32 36.48 3d5d h ASN 79 CO -0.05 0.93 -0.77 0.49 -1.29 0.00 0.00 177.43 176.74 3d5d n PHE 80 N -4.31 3.09 -0.83 1.19 3.01 -1.04 -4.98 117.46 113.60 3d5d n PHE 80 Ca 0.08 -2.69 0.00 0.00 1.01 0.00 0.00 57.45 55.85 3d5d n PHE 80 Cb 0.14 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 3d5d n PHE 80 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3d5d n LYS 81 N -0.59 -0.25 -4.70 -1.08 5.02 -0.99 -4.96 118.16 110.61 3d5d n LYS 81 Ca 0.41 0.06 -0.32 0.00 -2.02 0.00 0.00 58.31 56.45 3d5d n LYS 81 Cb 0.81 -3.58 -0.12 0.00 -0.02 0.00 0.00 35.03 32.12 3d5d n LYS 81 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3d5d s LEU 82 N 0.00 2.79 0.00 -0.35 1.43 -0.78 -5.02 118.68 116.75 3d5d s LEU 82 Ca 0.00 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 3d5d s LEU 82 Cb 0.00 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.61 3d5d s LEU 82 CO 0.00 0.30 0.00 -2.11 0.23 0.00 0.00 176.35 174.77 3d5d n ARG 83 N 1.84 0.00 -0.11 1.70 1.85 -1.26 0.86 116.66 121.54 3d5d n ARG 83 Ca -0.16 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.71 3d5d n ARG 83 Cb 0.52 0.00 0.06 0.00 -1.05 0.00 0.00 32.46 31.99 3d5d n ARG 83 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3d5d n LYS 84 N 0.00 -0.03 0.00 2.89 3.00 -1.25 -3.93 118.16 118.83 3d5d n LYS 84 Ca 0.00 0.49 0.00 0.00 -0.00 0.00 0.00 58.31 58.80 3d5d n LYS 84 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 35.03 34.29 3d5d n LYS 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3d5d n GLY 85 N -1.19 1.67 0.15 3.14 0.00 -1.26 -4.31 105.19 103.40 3d5d n GLY 85 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 3d5d n GLY 85 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3d5d h MET 86 N 0.00 0.52 0.00 1.61 0.00 -1.82 -3.33 114.93 111.91 3d5d h MET 86 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 59.70 58.87 3d5d h MET 86 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 31.60 31.90 3d5d h MET 86 CO 0.00 1.39 0.00 -2.30 0.00 0.00 0.00 176.91 176.00 3d5d n PRO 87 N -3.82 0.00 0.00 -0.22 -0.02 -1.26 -4.92 135.00 124.77 3d5d n PRO 87 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3d5d n PRO 87 Cb 1.02 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.50 3d5d n PRO 87 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3d5d n ILE 88 N 0.00 0.00 -3.88 4.25 0.13 -1.26 -4.82 119.36 113.78 3d5d n ILE 88 Ca 0.00 0.00 -0.11 0.00 -1.10 0.00 0.00 62.75 61.54 3d5d n ILE 88 Cb 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 39.64 38.68 3d5d n ILE 88 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 3d5d s GLY 89 N 0.00 0.02 -0.29 4.50 0.00 0.02 -3.89 107.32 107.68 3d5d s GLY 89 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 44.72 44.63 3d5d s GLY 89 CO 0.00 -0.08 0.10 -2.27 0.00 0.00 0.00 173.10 170.85 3d5d s LEU 90 N -0.58 3.86 0.14 0.66 1.98 -0.67 0.74 118.68 124.81 3d5d s LEU 90 Ca -0.07 -0.57 0.07 0.00 -2.89 0.00 0.00 54.13 50.68 3d5d s LEU 90 Cb -0.04 -1.92 -0.04 0.00 0.66 0.00 0.00 46.19 44.85 3d5d s LEU 90 CO 0.00 -0.17 -0.17 -0.60 -1.89 0.00 0.00 176.35 173.53 3d5d s ARG 91 N 1.55 1.14 -0.30 1.98 3.52 -1.23 0.07 118.95 125.68 3d5d s ARG 91 Ca 0.04 -1.29 -0.10 0.00 -0.13 0.00 0.00 55.73 54.24 3d5d s ARG 91 Cb -0.17 -1.15 0.15 0.00 -1.56 0.00 0.00 34.95 32.22 3d5d s ARG 91 CO 0.04 0.24 0.76 0.54 -0.81 0.00 0.00 175.30 176.07 3d5d s VAL 92 N -1.94 -0.82 -0.17 7.11 0.11 -1.22 -2.23 120.40 121.24 3d5d s VAL 92 Ca 0.11 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.12 3d5d s VAL 92 Cb -0.06 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.76 3d5d s VAL 92 CO 0.05 0.00 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.91 3d5d s THR 93 N 2.76 3.93 0.06 5.04 2.01 -1.26 -1.69 115.64 126.49 3d5d s THR 93 Ca -0.01 -0.33 0.08 0.00 0.31 0.00 0.00 61.69 61.73 3d5d s THR 93 Cb -0.11 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 3d5d s THR 93 CO -0.18 0.47 -0.22 -1.48 -0.69 0.00 0.00 174.62 172.52 3d5d s LEU 94 N 0.59 2.21 0.00 4.42 2.34 -0.73 -5.00 118.68 122.51 3d5d s LEU 94 Ca -0.02 -0.58 0.00 0.00 0.06 0.00 0.00 54.13 53.59 3d5d s LEU 94 Cb -0.14 -0.99 0.00 0.00 -0.56 0.00 0.00 46.19 44.49 3d5d s LEU 94 CO 0.02 0.15 0.00 0.54 -1.06 0.00 0.00 176.35 176.00 3d5d n ARG 95 N 1.62 0.91 0.00 1.48 1.74 -1.26 -3.25 116.66 117.89 3d5d n ARG 95 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 3d5d n ARG 95 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 3d5d n ARG 95 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3d5d n ARG 96 N 0.00 0.00 0.13 5.56 1.85 -1.26 -0.79 116.66 122.15 3d5d n ARG 96 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.72 3d5d n ARG 96 Cb 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.33 3d5d n ARG 96 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 3d5d h ASP 97 N 0.00 -0.28 -0.06 2.89 2.03 -1.99 -2.79 116.42 116.22 3d5d h ASP 97 Ca 0.00 -0.17 0.02 0.00 -0.73 0.00 0.00 57.03 56.14 3d5d h ASP 97 Cb 0.00 0.07 -0.00 0.00 -0.83 0.00 0.00 39.33 38.57 3d5d h ASP 97 CO 0.00 0.03 0.31 0.08 -1.03 0.00 0.00 179.24 178.62 3d5d h ARG 98 N -0.61 0.00 0.17 4.15 -0.00 -1.89 0.11 114.38 116.32 3d5d h ARG 98 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.94 3d5d h ARG 98 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.41 3d5d h ARG 98 CO 0.06 0.00 -0.08 1.98 -0.00 0.00 0.00 179.97 181.92 3d5d h MET 99 N 0.00 -0.22 -0.86 0.08 -1.53 -0.69 -2.86 114.93 108.84 3d5d h MET 99 Ca 0.03 0.02 0.04 0.00 -3.44 0.00 0.00 59.70 56.34 3d5d h MET 99 Cb 0.64 0.05 -0.05 0.00 -0.55 0.00 0.00 31.60 31.69 3d5d h MET 99 CO -0.00 0.20 0.55 -1.49 0.14 0.00 0.00 176.91 176.31 3d5d h TRP 100 N -0.86 1.03 -0.05 1.39 4.06 -0.70 -1.66 115.95 119.16 3d5d h TRP 100 Ca -0.02 0.03 -0.05 0.00 2.06 0.00 0.00 58.89 60.91 3d5d h TRP 100 Cb 0.52 -0.34 -0.01 0.00 -1.00 0.00 0.00 29.16 28.33 3d5d h TRP 100 CO 0.08 0.58 -0.20 -0.84 -3.56 0.00 0.00 178.44 174.50 3d5d h ILE 101 N 1.05 1.17 -0.06 1.49 3.07 -1.23 -2.00 117.51 121.00 3d5d h ILE 101 Ca 0.35 -0.78 -0.07 0.00 1.55 0.00 0.00 64.86 65.91 3d5d h ILE 101 Cb 0.05 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 37.96 3d5d h ILE 101 CO -0.13 0.23 -0.25 0.15 -1.05 0.00 0.00 178.15 177.10 3d5d h PHE 102 N 0.07 0.36 -0.22 0.16 3.04 -1.08 -3.09 116.94 116.18 3d5d h PHE 102 Ca 0.01 -0.16 -0.04 0.00 3.98 0.00 0.00 57.97 61.77 3d5d h PHE 102 Cb 0.39 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.83 3d5d h PHE 102 CO 0.00 0.87 -0.03 -0.07 -2.02 0.00 0.00 178.31 177.07 3d5d h LEU 103 N -0.25 0.30 0.09 0.59 3.38 -1.18 -0.94 115.31 117.30 3d5d h LEU 103 Ca -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3d5d h LEU 103 Cb 0.90 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3d5d h LEU 103 CO 0.05 0.38 -0.10 -0.08 0.09 0.00 0.00 178.44 178.79 3d5d h GLU 104 N 0.32 -0.20 -0.66 1.13 4.57 -1.38 -1.70 114.58 116.65 3d5d h GLU 104 Ca 0.07 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.29 3d5d h GLU 104 Cb 0.26 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.86 3d5d h GLU 104 CO 0.01 -0.14 0.44 0.87 -1.18 0.00 0.00 179.01 179.01 3d5d h LYS 105 N -0.21 0.81 0.35 1.92 1.57 -1.35 -2.18 116.57 117.48 3d5d h LYS 105 Ca 0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3d5d h LYS 105 Cb 0.21 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3d5d h LYS 105 CO -0.03 0.53 -0.27 1.25 -0.57 0.00 0.00 179.45 180.36 3d5d h LEU 106 N 0.83 -0.70 -0.39 2.94 5.85 -0.29 0.33 115.31 123.88 3d5d h LEU 106 Ca 0.26 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.02 3d5d h LEU 106 Cb 0.00 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3d5d h LEU 106 CO -0.07 -0.38 -0.04 0.00 -0.34 0.00 0.00 178.44 177.62 3d5d n LEU 107 N -3.97 0.64 -0.00 2.25 -0.00 -0.89 -0.11 117.00 114.92 3d5d n LEU 107 Ca -0.07 -0.16 0.01 0.00 -0.00 0.00 0.00 56.01 55.78 3d5d n LEU 107 Cb 0.26 -0.06 -0.01 0.00 -0.00 0.00 0.00 43.42 43.61 3d5d n LEU 107 CO 0.16 0.11 -0.01 0.59 -0.00 0.00 0.00 177.39 178.24 3d5d n ASN 108 N -0.61 0.12 0.06 1.45 5.03 -0.82 -4.63 115.26 115.86 3d5d n ASN 108 Ca 0.19 -0.52 0.00 0.00 0.87 0.00 0.00 54.58 55.12 3d5d n ASN 108 Cb 0.25 1.00 0.00 0.00 -1.02 0.00 0.00 39.78 40.01 3d5d n ASN 108 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3d5d n VAL 109 N -1.04 0.20 0.15 2.41 0.31 0.98 -4.82 118.33 116.52 3d5d n VAL 109 Ca 0.00 0.07 -0.06 0.00 -0.01 0.00 0.00 64.34 64.34 3d5d n VAL 109 Cb 0.02 -0.59 -0.03 0.00 -0.91 0.00 0.00 33.84 32.33 3d5d n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d5d h ALA 110 N 0.00 -1.07 -0.66 3.52 0.00 -0.90 -3.07 119.26 117.09 3d5d h ALA 110 Ca 0.00 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 54.97 3d5d h ALA 110 Cb 0.00 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 17.88 3d5d h ALA 110 CO 0.00 -1.04 -0.04 -0.07 0.00 0.00 0.00 179.25 178.10 3d5d h LEU 111 N -0.39 -0.37 -0.16 0.00 3.38 -0.75 -2.94 115.31 114.08 3d5d h LEU 111 Ca -0.04 0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3d5d h LEU 111 Cb 0.30 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 3d5d h LEU 111 CO 0.05 -0.16 -0.24 -0.65 0.09 0.00 0.00 178.44 177.54 3d5d h PRO 112 N 0.08 -0.17 -2.83 1.13 0.11 -1.76 -2.98 132.00 125.59 3d5d h PRO 112 Ca 0.34 0.01 -0.73 0.00 0.11 0.00 0.00 66.00 65.73 3d5d h PRO 112 Cb 0.56 0.04 -0.10 0.00 0.11 0.00 0.00 31.00 31.61 3d5d h PRO 112 CO -0.60 -0.11 2.58 2.89 -0.21 0.00 0.00 178.00 182.55 3d5d n ARG 113 N -3.83 4.29 -4.35 1.05 1.85 -1.11 -4.81 116.66 109.75 3d5d n ARG 113 Ca -0.02 -3.27 -0.33 0.00 -1.00 0.00 0.00 57.85 53.23 3d5d n ARG 113 Cb 0.15 -2.71 -0.09 0.00 -1.05 0.00 0.00 32.46 28.75 3d5d n ARG 113 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3d5d s ILE 114 N -0.36 4.06 -0.59 8.89 1.01 -1.13 -4.86 121.20 128.21 3d5d s ILE 114 Ca 0.54 -0.58 -0.35 0.00 0.00 0.00 0.00 60.65 60.26 3d5d s ILE 114 Cb 0.17 -2.78 -0.16 0.00 0.01 0.00 0.00 42.46 39.70 3d5d s ILE 114 CO -0.07 0.42 2.35 0.54 0.00 0.00 0.00 174.94 178.18 3d5d n ARG 115 N 1.57 0.48 -3.84 2.79 3.00 -1.26 -1.16 116.66 118.24 3d5d n ARG 115 Ca -0.15 0.09 -0.37 0.00 -0.01 0.00 0.00 57.85 57.41 3d5d n ARG 115 Cb 0.53 -2.06 0.03 0.00 0.00 0.00 0.00 32.46 30.95 3d5d n ARG 115 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3d5d n ASP 116 N 10.23 -4.87 -4.77 0.55 8.00 -1.26 -4.85 116.55 119.58 3d5d n ASP 116 Ca 0.51 -1.12 -0.40 0.00 0.71 0.00 0.00 54.79 54.49 3d5d n ASP 116 Cb 0.14 -2.59 0.01 0.00 -0.02 0.00 0.00 41.12 38.66 3d5d n ASP 116 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3d5d s PHE 117 N -3.45 2.49 0.00 1.24 5.36 -0.31 -4.90 117.98 118.41 3d5d s PHE 117 Ca 0.45 1.20 0.00 0.00 -0.96 0.00 0.00 56.93 57.62 3d5d s PHE 117 Cb -0.20 -4.00 0.00 0.00 -0.34 0.00 0.00 43.02 38.48 3d5d s PHE 117 CO 0.91 -3.06 0.00 0.54 -1.46 0.00 0.00 175.22 172.15 3d5d n ARG 118 N 0.12 1.71 0.00 10.12 1.74 -1.26 -5.07 116.66 124.02 3d5d n ARG 118 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3d5d n ARG 118 Cb 0.40 -0.13 0.00 0.00 -1.02 0.00 0.00 32.46 31.71 3d5d n ARG 118 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d5d n GLY 119 N 0.24 0.41 3.72 -0.13 0.00 -1.26 -4.19 105.19 103.98 3d5d n GLY 119 Ca 0.00 -2.31 -0.35 0.00 0.00 0.00 0.00 46.02 43.36 3d5d n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d5d s LEU 120 N 0.00 4.12 -0.28 0.99 1.43 0.07 -4.35 118.68 120.66 3d5d s LEU 120 Ca 0.00 0.21 -0.28 0.00 -1.03 0.00 0.00 54.13 53.03 3d5d s LEU 120 Cb 0.00 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 3d5d s LEU 120 CO 0.00 0.20 2.03 0.21 0.23 0.00 0.00 176.35 179.02 3d5d s ASN 121 N 0.25 5.61 0.00 2.29 3.04 -1.26 -0.51 114.94 124.35 3d5d s ASN 121 Ca 0.07 1.57 0.00 0.00 0.04 0.00 0.00 52.86 54.55 3d5d s ASN 121 Cb -0.11 -2.52 0.03 0.00 -1.54 0.00 0.00 41.25 37.11 3d5d s ASN 121 CO -0.01 -1.89 0.35 -0.81 -3.04 0.00 0.00 177.10 171.69 3d5d n PRO 122 N 8.63 0.31 -0.01 0.43 -0.04 -1.26 -2.16 135.00 140.91 3d5d n PRO 122 Ca 0.27 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.83 3d5d n PRO 122 Cb 0.46 -1.02 -0.14 0.00 -0.04 0.00 0.00 33.50 32.76 3d5d n PRO 122 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3d5d n ASN 123 N -0.52 0.54 -1.47 3.54 4.13 -1.26 -4.63 115.26 115.58 3d5d n ASN 123 Ca 0.00 -0.33 0.00 0.00 1.68 0.00 0.00 54.58 55.93 3d5d n ASN 123 Cb 0.00 1.61 0.00 0.00 -1.54 0.00 0.00 39.78 39.85 3d5d n ASN 123 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3d5d n SER 124 N -1.95 2.92 -4.85 6.41 7.64 -0.92 -4.79 113.62 118.07 3d5d n SER 124 Ca -0.01 -1.70 -0.37 0.00 1.01 0.00 0.00 58.87 57.80 3d5d n SER 124 Cb 0.45 -0.59 -0.06 0.00 -1.01 0.00 0.00 64.21 63.00 3d5d n SER 124 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3d5d s PHE 125 N 0.63 3.64 -0.69 1.43 0.40 -1.26 -1.63 117.98 120.50 3d5d s PHE 125 Ca 0.00 0.72 0.00 0.00 -0.60 0.00 0.00 56.93 57.05 3d5d s PHE 125 Cb 0.00 -2.10 0.00 0.00 0.51 0.00 0.00 43.02 41.43 3d5d s PHE 125 CO 0.00 0.67 0.31 -0.40 0.70 0.00 0.00 175.22 176.51 3d5d n ASP 126 N 2.00 0.78 0.00 1.36 5.75 -1.16 -4.66 116.55 120.62 3d5d n ASP 126 Ca -0.17 -0.96 0.00 0.00 -0.01 0.00 0.00 54.79 53.65 3d5d n ASP 126 Cb 0.54 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 3d5d n ASP 126 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d5d n GLY 127 N 0.41 2.92 0.00 6.12 0.00 -1.26 -4.85 105.19 108.53 3d5d n GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3d5d n GLY 127 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3d5d n ARG 128 N -1.98 0.00 -2.39 1.61 0.63 -1.26 -4.68 116.66 108.59 3d5d n ARG 128 Ca 0.00 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.68 3d5d n ARG 128 Cb 0.00 0.00 0.01 0.00 0.45 0.00 0.00 32.46 32.92 3d5d n ARG 128 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3d5d n GLY 129 N 5.00 5.91 3.30 5.14 0.00 -1.19 -1.20 105.19 122.14 3d5d n GLY 129 Ca 0.00 -2.68 -0.17 0.00 0.00 0.00 0.00 46.02 43.16 3d5d n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d5d s ASN 130 N -3.54 1.27 -0.00 1.61 0.01 -1.26 -3.63 114.94 109.39 3d5d s ASN 130 Ca 0.48 -1.57 -0.03 0.00 -0.71 0.00 0.00 52.86 51.04 3d5d s ASN 130 Cb 0.40 0.42 -0.00 0.00 0.41 0.00 0.00 41.25 42.48 3d5d s ASN 130 CO -0.13 -0.92 0.05 -0.47 -1.51 0.00 0.00 177.10 174.12 3d5d s TYR 131 N -3.69 0.07 -0.10 2.20 5.04 -1.12 -2.96 117.35 116.80 3d5d s TYR 131 Ca 0.37 -0.15 -0.03 0.00 -2.44 0.00 0.00 57.07 54.83 3d5d s TYR 131 Cb 0.05 -0.07 0.04 0.00 0.35 0.00 0.00 41.96 42.33 3d5d s TYR 131 CO 0.19 -0.15 0.06 -0.80 -1.34 0.00 0.00 175.55 173.50 3d5d s ASN 132 N -0.82 1.73 0.34 4.32 0.01 -0.64 -2.22 114.94 117.66 3d5d s ASN 132 Ca -0.09 -0.23 0.09 0.00 -0.71 0.00 0.00 52.86 51.92 3d5d s ASN 132 Cb -0.05 -0.26 -0.05 0.00 0.41 0.00 0.00 41.25 41.29 3d5d s ASN 132 CO 0.00 -0.27 0.01 -1.48 -1.51 0.00 0.00 177.10 173.85 3d5d s LEU 133 N 2.10 2.99 -0.02 0.60 2.34 -1.23 -4.79 118.68 120.68 3d5d s LEU 133 Ca 0.04 -0.97 0.04 0.00 0.06 0.00 0.00 54.13 53.30 3d5d s LEU 133 Cb -0.14 -1.38 -0.01 0.00 -0.56 0.00 0.00 46.19 44.11 3d5d s LEU 133 CO -0.06 -0.23 -0.15 -0.83 -1.06 0.00 0.00 176.35 174.03 3d5d s GLY 134 N -3.72 0.74 0.07 -3.48 0.00 -1.26 -2.86 107.32 96.81 3d5d s GLY 134 Ca 0.35 -0.63 0.03 0.00 0.00 0.00 0.00 44.72 44.46 3d5d s GLY 134 CO 0.19 -0.48 -0.09 1.08 0.00 0.00 0.00 173.10 173.80 3d5d s LEU 135 N -0.27 2.33 0.00 0.66 1.02 -0.67 -5.02 118.68 116.73 3d5d s LEU 135 Ca 0.04 -0.68 0.00 0.00 0.02 0.00 0.00 54.13 53.51 3d5d s LEU 135 Cb -0.07 -0.22 0.00 0.00 0.02 0.00 0.00 46.19 45.92 3d5d s LEU 135 CO -0.00 -0.24 0.00 0.54 0.02 0.00 0.00 176.35 176.67 3d5d n ARG 136 N 1.02 0.00 -1.63 1.70 5.12 -1.26 -1.54 116.66 120.07 3d5d n ARG 136 Ca -0.20 0.00 -0.56 0.00 -1.93 0.00 0.00 57.85 55.16 3d5d n ARG 136 Cb 0.56 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.79 3d5d n ARG 136 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3d5d n GLU 137 N 0.00 1.10 0.00 5.56 1.02 -1.26 -3.15 120.64 123.92 3d5d n GLU 137 Ca 0.00 0.38 0.14 0.00 -0.02 0.00 0.00 57.16 57.67 3d5d n GLU 137 Cb 0.00 -2.16 0.67 0.00 -0.02 0.00 0.00 31.44 29.93 3d5d n GLU 137 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3d5d n GLN 138 N 6.17 0.51 0.00 3.49 0.00 -1.14 -3.66 117.38 122.75 3d5d n GLN 138 Ca 0.31 -0.10 0.14 0.00 0.00 0.00 0.00 57.00 57.36 3d5d n GLN 138 Cb 0.14 -1.50 0.63 0.00 0.00 0.00 0.00 30.24 29.52 3d5d n GLN 138 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 3d5d n LEU 139 N -1.16 0.15 0.33 2.61 -0.00 -1.26 -3.39 117.00 114.28 3d5d n LEU 139 Ca 0.14 0.27 0.21 0.00 -0.00 0.00 0.00 56.01 56.63 3d5d n LEU 139 Cb 0.26 -0.33 1.11 0.00 -0.00 0.00 0.00 43.42 44.46 3d5d n LEU 139 CO 0.24 0.03 1.16 0.16 -0.00 0.00 0.00 177.39 178.98 3d5d h ILE 140 N 0.12 0.00 -4.13 1.47 3.07 -1.89 -3.42 117.51 112.72 3d5d h ILE 140 Ca 0.00 0.00 -0.51 0.00 1.55 0.00 0.00 64.86 65.90 3d5d h ILE 140 Cb 0.39 0.90 0.10 0.00 -0.27 0.00 0.00 36.82 37.94 3d5d h ILE 140 CO 0.00 0.00 0.42 -0.36 -1.05 0.00 0.00 178.15 177.16 3d5d s PHE 141 N -4.10 2.55 0.00 0.16 0.08 -1.22 -3.74 117.98 111.71 3d5d s PHE 141 Ca -0.05 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.55 3d5d s PHE 141 Cb 0.12 -3.30 0.00 0.00 -0.57 0.00 0.00 43.02 39.27 3d5d s PHE 141 CO 0.37 -1.82 0.65 -0.35 -0.10 0.00 0.00 175.22 173.97 3d5d n PRO 142 N -1.85 0.00 0.09 0.24 -0.04 -1.26 -3.43 135.00 128.75 3d5d n PRO 142 Ca 0.12 0.31 0.20 0.00 -0.04 0.00 0.00 63.50 64.08 3d5d n PRO 142 Cb 0.51 -1.15 0.75 0.00 -0.04 0.00 0.00 33.50 33.57 3d5d n PRO 142 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3d5d h GLU 143 N 0.00 0.00 -6.06 0.54 9.09 -1.94 -3.41 114.58 112.80 3d5d h GLU 143 Ca 0.00 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 58.83 3d5d h GLU 143 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 3d5d h GLU 143 CO 0.00 0.00 1.43 0.42 0.05 0.00 0.00 179.01 180.91 3d5d s ILE 144 N -4.65 3.15 0.34 -1.06 -1.09 -1.22 -4.96 121.20 111.71 3d5d s ILE 144 Ca -0.04 0.15 -0.22 0.00 -2.23 0.00 0.00 60.65 58.30 3d5d s ILE 144 Cb 0.16 -3.21 -0.10 0.00 -1.58 0.00 0.00 42.46 37.73 3d5d s ILE 144 CO 0.56 -0.13 0.89 0.42 -1.23 0.00 0.00 174.94 175.45 3d5d s THR 145 N 8.02 4.37 0.10 2.92 -4.23 -1.26 -4.92 115.64 120.64 3d5d s THR 145 Ca 0.94 1.56 -0.28 0.00 -1.18 0.00 0.00 61.69 62.73 3d5d s THR 145 Cb -0.29 -3.83 -0.12 0.00 1.34 0.00 0.00 72.50 69.60 3d5d s THR 145 CO 0.34 -0.01 1.66 0.22 -0.54 0.00 0.00 174.62 176.29 3d5d h TYR 146 N 2.76 -0.59 0.00 3.99 3.20 -1.95 -3.11 116.97 121.27 3d5d h TYR 146 Ca -0.48 0.00 -0.51 0.00 3.14 0.00 0.00 58.73 60.88 3d5d h TYR 146 Cb 1.19 0.23 0.01 0.00 1.54 0.00 0.00 36.73 39.70 3d5d h TYR 146 CO 0.62 -0.34 2.86 -0.40 -1.64 0.00 0.00 178.16 179.26 3d5d n ASP 147 N -5.35 7.10 0.00 -2.11 5.68 -1.26 -2.76 116.55 117.86 3d5d n ASP 147 Ca -0.08 -2.47 0.00 0.00 -0.50 0.00 0.00 54.79 51.74 3d5d n ASP 147 Cb 0.26 -1.39 0.00 0.00 -1.14 0.00 0.00 41.12 38.85 3d5d n ASP 147 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 3d5d n MET 148 N 3.57 0.72 -2.93 0.11 1.56 -1.17 -5.08 117.12 113.89 3d5d n MET 148 Ca 0.63 0.00 -0.43 0.00 -0.27 0.00 0.00 57.70 57.64 3d5d n MET 148 Cb 0.30 -0.07 -0.05 0.00 2.15 0.00 0.00 33.22 35.55 3d5d n MET 148 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 3d5d s VAL 149 N -0.11 4.67 -2.33 1.12 -7.23 -1.11 -4.89 120.40 110.52 3d5d s VAL 149 Ca 0.00 0.76 0.27 0.00 -1.81 0.00 0.00 61.98 61.20 3d5d s VAL 149 Cb 0.00 -4.27 0.60 0.00 0.56 0.00 0.00 36.38 33.27 3d5d s VAL 149 CO 0.00 -0.56 1.80 -0.90 -0.31 0.00 0.00 175.10 175.13 3d5d n ASP 150 N 6.60 1.15 -3.64 4.85 5.75 -1.26 -4.84 116.55 125.16 3d5d n ASP 150 Ca 0.03 -1.44 -0.04 0.00 -0.01 0.00 0.00 54.79 53.34 3d5d n ASP 150 Cb 0.48 -0.02 -0.07 0.00 -1.03 0.00 0.00 41.12 40.49 3d5d n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3d5d s ALA 151 N -1.96 -2.24 0.00 2.12 0.00 -1.26 -5.03 121.76 113.39 3d5d s ALA 151 Ca 0.38 1.96 -0.04 0.00 0.00 0.00 0.00 51.96 54.26 3d5d s ALA 151 Cb 0.20 -1.69 -0.19 0.00 0.00 0.00 0.00 23.12 21.44 3d5d s ALA 151 CO 0.32 -0.26 2.93 1.28 0.00 0.00 0.00 175.76 180.03 3d5d n LEU 152 N 2.73 4.60 -4.57 0.00 4.77 -1.26 -4.91 117.00 118.36 3d5d n LEU 152 Ca -0.15 -2.69 -0.51 0.00 -0.03 0.00 0.00 56.01 52.63 3d5d n LEU 152 Cb 0.57 -1.19 -0.05 0.00 -2.33 0.00 0.00 43.42 40.42 3d5d n LEU 152 CO 0.03 1.31 0.73 -2.11 -1.33 0.00 0.00 177.39 176.02 3d5d n ARG 153 N 2.36 0.99 -2.62 3.23 1.85 -1.26 -3.98 116.66 117.23 3d5d n ARG 153 Ca 0.30 0.35 -0.23 0.00 -1.00 0.00 0.00 57.85 57.27 3d5d n ARG 153 Cb 0.73 -1.88 0.10 0.00 -1.05 0.00 0.00 32.46 30.36 3d5d n ARG 153 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3d5d s GLY 154 N 0.10 1.76 -0.23 2.89 0.00 -1.19 -2.87 107.32 107.78 3d5d s GLY 154 Ca 0.78 -1.74 -0.33 0.00 0.00 0.00 0.00 44.72 43.43 3d5d s GLY 154 CO 0.51 -1.20 1.26 -3.16 0.00 0.00 0.00 173.10 170.51 3d5d s MET 155 N -5.09 0.22 0.05 2.90 0.23 -0.59 -4.78 119.30 112.25 3d5d s MET 155 Ca 0.66 -0.02 0.06 0.00 -1.03 0.00 0.00 55.69 55.36 3d5d s MET 155 Cb -0.06 0.10 -0.03 0.00 -1.53 0.00 0.00 34.83 33.32 3d5d s MET 155 CO 0.44 -0.09 -0.18 0.16 -2.03 0.00 0.00 175.02 173.33 3d5d s ASP 156 N -1.61 2.10 0.00 -1.18 3.84 -0.68 -1.67 116.67 117.46 3d5d s ASP 156 Ca 0.08 -0.53 0.00 0.00 -0.00 0.00 0.00 52.55 52.10 3d5d s ASP 156 Cb -0.01 -0.14 0.00 0.00 -1.38 0.00 0.00 42.92 41.39 3d5d s ASP 156 CO -0.05 0.07 0.00 2.30 -0.00 0.00 0.00 175.17 177.49 3d5d n ILE 157 N 1.68 0.00 -3.79 2.11 -5.35 -1.14 -0.31 119.36 112.56 3d5d n ILE 157 Ca -0.18 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.25 3d5d n ILE 157 Cb 0.54 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.43 3d5d n ILE 157 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3d5d s ALA 158 N -2.00 -1.52 -0.25 -1.28 0.00 -0.22 -3.51 121.76 112.98 3d5d s ALA 158 Ca 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 51.96 51.82 3d5d s ALA 158 Cb 0.00 0.69 0.11 0.00 0.00 0.00 0.00 23.12 23.92 3d5d s ALA 158 CO 0.00 -1.04 0.54 0.54 0.00 0.00 0.00 175.76 175.79 3d5d s VAL 159 N -3.21 -0.83 -0.06 0.00 0.11 -0.94 -2.10 120.40 113.37 3d5d s VAL 159 Ca 0.13 0.08 -0.07 0.00 -2.93 0.00 0.00 61.98 59.19 3d5d s VAL 159 Cb -0.02 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 3d5d s VAL 159 CO 0.04 0.03 0.21 -0.69 -3.33 0.00 0.00 175.10 171.36 3d5d s VAL 160 N 2.76 5.39 0.02 2.04 1.01 0.11 -2.79 120.40 128.94 3d5d s VAL 160 Ca -0.03 0.24 -0.09 0.00 0.00 0.00 0.00 61.98 62.10 3d5d s VAL 160 Cb -0.12 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.76 3d5d s VAL 160 CO -0.16 0.52 0.19 -0.89 0.00 0.00 0.00 175.10 174.76 3d5d s THR 161 N -1.14 0.09 0.40 3.92 2.01 -1.24 -2.84 115.64 116.85 3d5d s THR 161 Ca 0.21 -0.78 0.31 0.00 0.31 0.00 0.00 61.69 61.74 3d5d s THR 161 Cb -0.13 -0.72 0.31 0.00 0.01 0.00 0.00 72.50 71.97 3d5d s THR 161 CO 0.10 -0.43 1.93 0.71 -0.69 0.00 0.00 174.62 176.24 3d5d h THR 162 N 3.78 0.00 -1.46 -0.82 1.35 -1.84 -3.43 112.91 110.48 3d5d h THR 162 Ca -0.31 0.00 -0.69 0.00 -0.55 0.00 0.00 66.41 64.86 3d5d h THR 162 Cb 1.19 0.69 0.08 0.00 -1.73 0.00 0.00 68.15 68.38 3d5d h THR 162 CO 0.45 0.00 -0.03 0.00 -0.25 0.00 0.00 175.52 175.69 3d5d n ALA 163 N -1.88 -2.09 0.08 6.62 0.00 -1.26 -4.88 120.51 117.10 3d5d n ALA 163 Ca -0.02 0.49 0.06 0.00 0.00 0.00 0.00 53.44 53.96 3d5d n ALA 163 Cb 0.20 -1.84 -0.09 0.00 0.00 0.00 0.00 19.45 17.73 3d5d n ALA 163 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3d5d n GLU 164 N 1.40 0.81 -4.95 0.00 1.02 -1.26 -3.18 120.64 114.48 3d5d n GLU 164 Ca 0.17 -0.09 -0.29 0.00 -0.02 0.00 0.00 57.16 56.93 3d5d n GLU 164 Cb 0.21 -1.24 -0.15 0.00 -0.02 0.00 0.00 31.44 30.24 3d5d n GLU 164 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3d5d s THR 165 N -2.69 1.91 -0.56 2.62 -4.23 -1.26 -3.81 115.64 107.62 3d5d s THR 165 Ca -0.03 -1.19 0.21 0.00 -1.18 0.00 0.00 61.69 59.50 3d5d s THR 165 Cb 0.08 -1.62 0.21 0.00 1.34 0.00 0.00 72.50 72.51 3d5d s THR 165 CO 0.48 0.39 1.63 -0.90 -0.54 0.00 0.00 174.62 175.69 3d5d n ASP 166 N 2.09 0.51 -0.03 3.99 5.75 -0.34 -0.54 116.55 127.98 3d5d n ASP 166 Ca -0.16 0.64 -0.13 0.00 -0.01 0.00 0.00 54.79 55.13 3d5d n ASP 166 Cb 0.52 -0.74 -0.11 0.00 -1.03 0.00 0.00 41.12 39.76 3d5d n ASP 166 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3d5d h GLU 167 N 0.00 -0.02 -0.68 0.11 3.07 -1.95 0.25 114.58 115.36 3d5d h GLU 167 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.90 3d5d h GLU 167 Cb 0.29 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.15 3d5d h GLU 167 CO 0.00 0.65 0.41 0.93 -1.40 0.00 0.00 179.01 179.60 3d5d h GLU 168 N -0.73 0.75 0.10 2.33 5.08 -1.81 -0.24 114.58 120.06 3d5d h GLU 168 Ca -0.00 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3d5d h GLU 168 Cb 0.68 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3d5d h GLU 168 CO 0.00 0.50 -0.05 0.00 -1.00 0.00 0.00 179.01 178.47 3d5d h ALA 169 N 1.32 -0.13 -0.04 3.43 0.00 -0.83 0.13 119.26 123.14 3d5d h ALA 169 Ca 0.29 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.19 3d5d h ALA 169 Cb 0.10 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3d5d h ALA 169 CO -0.14 -0.55 -0.27 -0.09 0.00 0.00 0.00 179.25 178.20 3d5d h ARG 170 N -0.16 -0.37 -0.18 0.00 9.65 -0.17 0.15 114.38 123.29 3d5d h ARG 170 Ca -0.01 0.03 0.05 0.00 -1.10 0.00 0.00 59.98 58.94 3d5d h ARG 170 Cb 0.13 0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 28.75 3d5d h ARG 170 CO 0.02 -0.25 -0.12 0.00 2.80 0.00 0.00 179.97 182.42 3d5d h ALA 171 N 0.45 0.03 0.04 2.80 0.00 -0.91 0.87 119.26 122.54 3d5d h ALA 171 Ca 0.07 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3d5d h ALA 171 Cb 0.49 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3d5d h ALA 171 CO -0.26 -0.55 -0.23 1.25 0.00 0.00 0.00 179.25 179.46 3d5d h LEU 172 N -0.11 -0.70 -0.64 0.00 5.85 -0.18 0.55 115.31 120.07 3d5d h LEU 172 Ca 0.11 0.07 0.12 0.00 0.84 0.00 0.00 57.88 59.03 3d5d h LEU 172 Cb 0.27 0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.47 3d5d h LEU 172 CO -0.25 -0.24 0.15 -0.07 -0.34 0.00 0.00 178.44 177.68 3d5d h LEU 173 N -0.32 0.02 -0.09 2.25 3.38 -0.56 0.26 115.31 120.24 3d5d h LEU 173 Ca -0.00 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3d5d h LEU 173 Cb 0.33 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 3d5d h LEU 173 CO -0.13 0.01 -0.15 -0.33 0.09 0.00 0.00 178.44 177.92 3d5d h GLU 174 N 0.27 -0.20 -0.25 1.13 5.08 -0.57 -1.02 114.58 119.04 3d5d h GLU 174 Ca 0.34 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.70 3d5d h GLU 174 Cb 0.53 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3d5d h GLU 174 CO -0.43 -0.13 0.07 -0.07 -1.00 0.00 0.00 179.01 177.45 3d5d h LEU 175 N -0.21 0.31 -1.70 1.33 3.38 0.41 -0.29 115.31 118.53 3d5d h LEU 175 Ca 0.08 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3d5d h LEU 175 Cb 0.32 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3d5d h LEU 175 CO -0.21 0.31 -0.18 -0.07 0.09 0.00 0.00 178.44 178.38 3d5d h LEU 176 N 0.35 0.00 0.00 1.67 3.38 0.45 -3.45 115.31 117.71 3d5d h LEU 176 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3d5d h LEU 176 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3d5d h LEU 176 CO -0.01 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.32 3d5d n GLY 177 N -0.77 1.31 3.41 0.83 0.00 -0.13 -5.00 105.19 104.86 3d5d n GLY 177 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 3d5d n GLY 177 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d5d s PHE 178 N -2.00 3.24 -0.93 1.61 0.40 -0.49 -4.91 117.98 114.89 3d5d s PHE 178 Ca 0.00 -0.82 -0.25 0.00 -0.60 0.00 0.00 56.93 55.26 3d5d s PHE 178 Cb 0.00 -3.02 -0.09 0.00 0.51 0.00 0.00 43.02 40.41 3d5d s PHE 178 CO 0.00 -0.75 2.09 -1.25 0.70 0.00 0.00 175.22 176.01 3d5d s PRO 179 N 1.68 2.16 -0.27 0.24 0.04 -1.26 -4.45 135.00 133.14 3d5d s PRO 179 Ca 0.05 -0.23 -0.26 0.00 0.04 0.00 0.00 61.00 60.60 3d5d s PRO 179 Cb -0.23 -5.01 0.00 0.00 0.04 0.00 0.00 34.50 29.31 3d5d s PRO 179 CO 0.08 -3.96 0.92 -0.06 0.04 0.00 0.00 177.00 174.01 3d5d s PHE 180 N 12.15 3.26 -0.75 0.56 0.40 -1.26 -0.75 117.98 131.59 3d5d s PHE 180 Ca 0.77 1.15 -0.27 0.00 -0.60 0.00 0.00 56.93 57.98 3d5d s PHE 180 Cb -0.07 -3.27 -0.15 0.00 0.51 0.00 0.00 43.02 40.04 3d5d s PHE 180 CO 0.05 -0.53 2.52 -2.13 0.70 0.00 0.00 175.22 175.84 3d5d n ARG 181 N 6.30 0.52 0.00 0.44 0.63 0.33 -4.60 116.66 120.28 3d5d n ARG 181 Ca 0.08 -0.06 0.15 0.00 -0.92 0.00 0.00 57.85 57.10 3d5d n ARG 181 Cb 0.47 -2.52 0.67 0.00 0.45 0.00 0.00 32.46 31.52 3d5d n ARG 181 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75