#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwd h PRO 4 N 0.00 0.15 0.41 -1.46 0.11 -2.04 1.27 132.00 130.44 3dwd h PRO 4 Ca 0.00 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 3dwd h PRO 4 Cb 0.00 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 3dwd h PRO 4 CO 0.00 0.17 -0.23 0.00 -0.21 0.00 0.00 178.00 177.72 3dwd h ARG 5 N 0.09 -0.58 -0.25 1.05 -0.00 -2.05 -2.92 114.38 109.72 3dwd h ARG 5 Ca 0.04 0.04 0.03 0.00 -0.50 0.00 0.00 59.98 59.59 3dwd h ARG 5 Cb 0.06 0.13 -0.06 0.00 0.00 0.00 0.00 29.97 30.11 3dwd h ARG 5 CO -0.01 -0.39 -0.40 1.15 0.00 0.00 0.00 179.97 180.32 3dwd h THR 6 N -0.60 0.00 -0.79 2.04 2.02 -1.98 -2.39 112.91 111.21 3dwd h THR 6 Ca -0.05 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.30 3dwd h THR 6 Cb 0.49 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.75 3dwd h THR 6 CO 0.06 0.00 -0.14 0.03 0.37 0.00 0.00 175.52 175.84 3dwd h ARG 7 N -0.32 0.02 0.33 6.66 3.08 0.17 0.17 114.38 124.49 3dwd h ARG 7 Ca 0.05 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3dwd h ARG 7 Cb 0.45 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 3dwd h ARG 7 CO -0.41 0.02 -0.38 1.57 -1.07 0.00 0.00 179.97 179.70 3dwd h LYS 8 N 0.02 -0.69 -0.66 0.04 -0.00 -1.25 -1.51 116.57 112.52 3dwd h LYS 8 Ca 0.40 0.05 0.01 0.00 -0.00 0.00 0.00 60.65 61.10 3dwd h LYS 8 Cb 0.64 0.16 -0.03 0.00 -0.00 0.00 0.00 32.23 33.00 3dwd h LYS 8 CO -0.78 -0.46 0.43 0.28 -0.00 0.00 0.00 179.45 178.92 3dwd h VAL 9 N -0.72 1.17 -0.26 0.07 2.07 -0.72 0.14 116.25 118.01 3dwd h VAL 9 Ca -0.04 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.22 3dwd h VAL 9 Cb 0.63 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.54 3dwd h VAL 9 CO -0.07 0.17 -0.19 -0.07 0.02 0.00 0.00 177.57 177.43 3dwd h LEU 10 N 0.89 -0.60 -1.42 2.57 3.38 -0.68 0.58 115.31 120.03 3dwd h LEU 10 Ca 0.24 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.28 3dwd h LEU 10 Cb -0.10 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3dwd h LEU 10 CO -0.05 -0.22 -0.22 0.11 0.09 0.00 0.00 178.44 178.15 3dwd h LYS 11 N -0.17 0.10 -0.70 1.13 1.57 -0.77 0.13 116.57 117.86 3dwd h LYS 11 Ca 0.14 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3dwd h LYS 11 Cb 0.39 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3dwd h LYS 11 CO -0.36 0.32 0.34 1.05 -0.57 0.00 0.00 179.45 180.23 3dwd h GLU 12 N 0.10 0.99 -0.03 3.15 9.09 0.17 -3.07 114.58 124.99 3dwd h GLU 12 Ca 0.02 -0.13 -0.24 0.00 0.05 0.00 0.00 59.36 59.06 3dwd h GLU 12 Cb 0.44 -0.19 0.02 0.00 -1.65 0.00 0.00 28.75 27.38 3dwd h GLU 12 CO 0.03 0.76 -0.92 0.28 0.05 0.00 0.00 179.01 179.21 3dwd h VAL 13 N 0.98 1.30 -0.94 -1.06 2.07 0.28 -3.30 116.25 115.59 3dwd h VAL 13 Ca 0.24 -2.17 0.27 0.00 0.82 0.00 0.00 66.70 65.87 3dwd h VAL 13 Cb 0.10 2.35 -0.14 0.00 -1.52 0.00 0.00 31.29 32.07 3dwd h VAL 13 CO -0.03 0.67 0.39 0.03 0.02 0.00 0.00 177.57 178.65 3dwd h ARG 14 N 0.33 0.26 0.00 1.57 3.08 -0.71 -0.95 114.38 117.96 3dwd h ARG 14 Ca -0.11 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3dwd h ARG 14 Cb 1.58 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.57 3dwd h ARG 14 CO 0.18 0.17 -0.16 0.28 -1.07 0.00 0.00 179.97 179.38 3dwd h VAL 15 N 0.27 0.62 -3.94 2.04 2.07 -1.62 -3.34 116.25 112.36 3dwd h VAL 15 Ca 0.64 -0.69 -0.47 0.00 0.82 0.00 0.00 66.70 67.00 3dwd h VAL 15 Cb 1.36 1.45 0.16 0.00 -1.52 0.00 0.00 31.29 32.73 3dwd h VAL 15 CO -0.63 0.15 0.21 -1.10 0.02 0.00 0.00 177.57 176.22 3dwd s GLN 16 N -4.10 0.72 0.01 1.57 1.11 -0.36 -4.78 119.66 113.83 3dwd s GLN 16 Ca -0.02 0.69 -0.34 0.00 0.01 0.00 0.00 55.36 55.70 3dwd s GLN 16 Cb 0.13 -1.76 -0.13 0.00 -1.01 0.00 0.00 33.01 30.24 3dwd s GLN 16 CO 0.61 -2.58 1.76 -0.25 0.01 0.00 0.00 175.29 174.83 3dwd n ASP 17 N -4.09 3.30 -0.02 5.90 10.43 -1.26 -2.35 116.55 128.45 3dwd n ASP 17 Ca 0.06 1.02 -0.00 0.00 2.57 0.00 0.00 54.79 58.43 3dwd n ASP 17 Cb 0.56 -1.39 -0.00 0.00 1.84 0.00 0.00 41.12 42.13 3dwd n ASP 17 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3dwd n GLU 18 N 5.32 -1.15 0.00 -1.24 1.02 -1.26 -2.68 120.64 120.65 3dwd n GLU 18 Ca 0.20 0.31 0.13 0.00 -0.02 0.00 0.00 57.16 57.78 3dwd n GLU 18 Cb 0.29 -4.18 0.66 0.00 -0.02 0.00 0.00 31.44 28.19 3dwd n GLU 18 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3dwd n ASN 19 N -0.57 0.00 -0.32 1.62 3.02 -0.99 -2.61 115.26 115.41 3dwd n ASN 19 Ca -0.00 -0.05 0.14 0.00 -0.03 0.00 0.00 54.58 54.63 3dwd n ASN 19 Cb 0.29 -0.30 0.57 0.00 -0.61 0.00 0.00 39.78 39.73 3dwd n ASN 19 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3dwd n ASN 20 N -1.30 1.05 -4.30 6.41 2.04 -1.25 -4.73 115.26 113.18 3dwd n ASN 20 Ca 0.12 -1.18 -0.18 0.00 -0.44 0.00 0.00 54.58 52.90 3dwd n ASN 20 Cb 0.22 0.01 -0.11 0.00 -2.53 0.00 0.00 39.78 37.38 3dwd n ASN 20 CO 0.00 0.00 0.00 0.68 -0.44 0.00 0.00 177.26 177.50 3dwd s VAL 21 N -2.16 1.53 0.26 3.53 -7.23 -1.07 -1.27 120.40 113.99 3dwd s VAL 21 Ca 0.36 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.24 3dwd s VAL 21 Cb 0.21 -1.82 -0.11 0.00 0.56 0.00 0.00 36.38 35.22 3dwd s VAL 21 CO 0.39 -0.52 1.54 0.00 -0.31 0.00 0.00 175.10 176.20 3dwd h PHE 23 N 5.16 1.14 0.00 0.00 3.57 -1.44 -1.11 116.94 124.25 3dwd h PHE 23 Ca -0.46 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 3dwd h PHE 23 Cb 1.22 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.58 3dwd h PHE 23 CO 0.60 0.65 -0.09 0.93 -2.23 0.00 0.00 178.31 178.17 3dwd h GLU 24 N 1.17 0.00 0.00 1.11 4.39 -1.90 -3.41 114.58 115.94 3dwd h GLU 24 Ca 0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.07 3dwd h GLU 24 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3dwd h GLU 24 CO -0.12 0.18 -1.41 0.00 -1.16 0.00 0.00 179.01 176.50 3dwd n GLY 26 N 1.61 0.76 3.76 0.00 0.00 -0.42 -4.96 105.19 105.94 3dwd n GLY 26 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 3dwd n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwd s ALA 27 N -2.30 2.88 0.37 4.61 0.00 -1.26 -4.17 121.76 121.88 3dwd s ALA 27 Ca 0.00 1.10 -0.28 0.00 0.00 0.00 0.00 51.96 52.78 3dwd s ALA 27 Cb 0.00 -3.46 -0.10 0.00 0.00 0.00 0.00 23.12 19.56 3dwd s ALA 27 CO 0.00 -0.97 1.40 -0.06 0.00 0.00 0.00 175.76 176.12 3dwd s PHE 28 N -1.46 2.77 -1.01 0.00 2.99 -1.26 -0.01 117.98 119.99 3dwd s PHE 28 Ca 0.68 1.29 -0.09 0.00 0.00 0.00 0.00 56.93 58.81 3dwd s PHE 28 Cb -0.33 -3.86 -0.04 0.00 0.00 0.00 0.00 43.02 38.79 3dwd s PHE 28 CO 0.40 -2.49 0.83 -1.71 -0.00 0.00 0.00 175.22 172.25 3dwd n ASN 29 N 0.50 -6.40 -4.72 1.36 5.15 -0.39 -4.87 115.26 105.89 3dwd n ASN 29 Ca 0.01 -0.70 -0.42 0.00 -0.60 0.00 0.00 54.58 52.87 3dwd n ASN 29 Cb 0.41 -4.55 -0.03 0.00 -0.53 0.00 0.00 39.78 35.07 3dwd n ASN 29 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3dwd s PRO 30 N -4.64 4.37 0.00 1.20 0.04 -1.26 -4.91 135.00 129.80 3dwd s PRO 30 Ca 0.37 1.95 0.25 0.00 0.04 0.00 0.00 61.00 63.61 3dwd s PRO 30 Cb -0.08 -3.29 0.48 0.00 0.04 0.00 0.00 34.50 31.66 3dwd s PRO 30 CO 0.78 -0.35 1.41 1.04 0.04 0.00 0.00 177.00 179.92 3dwd n GLN 31 N 3.88 1.56 -4.47 4.56 1.13 -1.24 -4.69 117.38 118.11 3dwd n GLN 31 Ca 0.10 -1.14 -0.24 0.00 -1.94 0.00 0.00 57.00 53.78 3dwd n GLN 31 Cb 0.44 -1.48 -0.10 0.00 0.11 0.00 0.00 30.24 29.21 3dwd n GLN 31 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 3dwd s TRP 32 N -2.23 2.22 0.03 1.08 0.52 -0.62 -1.08 118.94 118.86 3dwd s TRP 32 Ca 0.27 -0.45 -0.01 0.00 0.02 0.00 0.00 56.10 55.93 3dwd s TRP 32 Cb 0.20 -1.09 -0.02 0.00 -1.15 0.00 0.00 33.47 31.40 3dwd s TRP 32 CO 0.42 0.59 -0.00 0.14 0.02 0.00 0.00 176.95 178.12 3dwd s VAL 33 N -2.65 0.15 -0.32 4.03 -7.23 -1.01 0.45 120.40 113.82 3dwd s VAL 33 Ca 0.30 -1.21 -0.06 0.00 -1.81 0.00 0.00 61.98 59.19 3dwd s VAL 33 Cb -0.01 -0.76 0.03 0.00 0.56 0.00 0.00 36.38 36.19 3dwd s VAL 33 CO 0.14 -0.67 0.09 -0.55 -0.31 0.00 0.00 175.10 173.80 3dwd s SER 34 N -2.02 5.19 0.34 4.85 0.15 0.02 -2.69 113.70 119.55 3dwd s SER 34 Ca -0.07 -0.99 0.04 0.00 0.70 0.00 0.00 55.95 55.63 3dwd s SER 34 Cb -0.03 -1.86 0.62 0.00 -1.71 0.00 0.00 66.02 63.04 3dwd s SER 34 CO -0.04 -0.27 1.92 0.58 1.20 0.00 0.00 173.24 176.62 3dwd h VAL 35 N 6.08 1.18 -0.85 4.45 2.07 -0.93 -1.96 116.25 126.29 3dwd h VAL 35 Ca -0.26 -0.62 0.21 0.00 0.82 0.00 0.00 66.70 66.85 3dwd h VAL 35 Cb 1.10 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 3dwd h VAL 35 CO 0.60 0.23 0.58 0.74 0.02 0.00 0.00 177.57 179.74 3dwd h THR 36 N 0.61 0.65 -0.00 2.57 2.02 -1.94 -2.76 112.91 114.06 3dwd h THR 36 Ca 0.14 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.25 3dwd h THR 36 Cb 0.20 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3dwd h THR 36 CO -0.01 0.04 -0.00 -1.22 0.37 0.00 0.00 175.52 174.70 3dwd n TYR 37 N -4.42 0.00 -1.67 3.16 4.02 -1.09 -4.51 117.16 112.65 3dwd n TYR 37 Ca 0.18 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.97 3dwd n TYR 37 Cb 0.77 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.06 3dwd n TYR 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dwd n GLY 38 N 0.44 0.64 3.90 2.72 0.00 -0.79 -3.20 105.19 108.90 3dwd n GLY 38 Ca 0.00 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 3dwd n GLY 38 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dwd s ILE 39 N -2.42 5.19 -0.11 -0.61 -4.36 -0.88 -1.64 121.20 116.37 3dwd s ILE 39 Ca 0.00 -0.57 -0.01 0.00 -0.26 0.00 0.00 60.65 59.81 3dwd s ILE 39 Cb 0.00 -3.57 -0.03 0.00 1.25 0.00 0.00 42.46 40.11 3dwd s ILE 39 CO 0.00 0.06 -0.05 0.26 0.24 0.00 0.00 174.94 175.45 3dwd s TRP 40 N -1.57 3.00 -0.01 1.37 0.52 -1.26 -0.80 118.94 120.19 3dwd s TRP 40 Ca 0.34 -0.11 -0.09 0.00 0.02 0.00 0.00 56.10 56.26 3dwd s TRP 40 Cb -0.12 -1.82 0.01 0.00 -1.15 0.00 0.00 33.47 30.38 3dwd s TRP 40 CO 0.27 0.18 0.18 0.96 0.02 0.00 0.00 176.95 178.56 3dwd s ILE 41 N -0.31 0.07 0.77 2.03 -4.36 0.17 -1.10 121.20 118.47 3dwd s ILE 41 Ca 0.05 -0.54 -0.12 0.00 -0.26 0.00 0.00 60.65 59.78 3dwd s ILE 41 Cb -0.13 -0.45 0.05 0.00 1.25 0.00 0.00 42.46 43.19 3dwd s ILE 41 CO 0.02 -0.30 1.11 0.00 0.24 0.00 0.00 174.94 176.01 3dwd h LEU 43 N -0.93 -1.80 0.12 0.00 -0.00 -1.94 0.24 115.31 110.99 3dwd h LEU 43 Ca -0.46 0.29 0.01 0.00 -0.00 0.00 0.00 57.88 57.72 3dwd h LEU 43 Cb 1.27 0.81 -0.04 0.00 -0.00 0.00 0.00 40.66 42.71 3dwd h LEU 43 CO 0.62 -0.30 -0.44 -0.08 -0.00 0.00 0.00 178.44 178.24 3dwd h GLU 44 N -0.13 -0.62 -0.19 1.13 4.81 -2.00 -1.60 114.58 115.98 3dwd h GLU 44 Ca 0.18 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.51 3dwd h GLU 44 Cb 0.52 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 3dwd h GLU 44 CO -0.82 -0.41 0.21 0.00 -0.73 0.00 0.00 179.01 177.25 3dwd h SER 46 N 0.00 0.80 -0.79 0.00 4.64 0.42 0.27 113.55 118.89 3dwd h SER 46 Ca 0.09 -0.19 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 3dwd h SER 46 Cb 0.51 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.35 3dwd h SER 46 CO -0.00 0.77 0.38 1.23 -0.87 0.00 0.00 176.83 178.34 3dwd h GLY 47 N 0.78 1.21 1.00 -0.77 0.00 -0.50 -0.84 103.07 103.95 3dwd h GLY 47 Ca 0.19 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 3dwd h GLY 47 CO -0.01 0.57 0.37 3.21 0.00 0.00 0.00 176.54 180.67 3dwd h ARG 48 N 1.11 0.80 0.00 4.80 2.47 -0.78 -2.39 114.38 120.39 3dwd h ARG 48 Ca 0.27 -0.07 -0.05 0.00 -1.26 0.00 0.00 59.98 58.88 3dwd h ARG 48 Cb 0.11 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 3dwd h ARG 48 CO -0.04 0.56 -0.22 0.45 0.56 0.00 0.00 179.97 181.29 3dwd h HIS 49 N 0.80 0.00 -0.04 3.04 3.86 -0.03 -1.79 115.15 120.99 3dwd h HIS 49 Ca 0.21 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.34 3dwd h HIS 49 Cb -0.04 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 3dwd h HIS 49 CO -0.02 0.22 -0.38 0.00 0.86 0.00 0.00 177.93 178.60 3dwd h ARG 50 N 0.00 0.07 -0.03 2.45 2.47 -0.67 -2.83 114.38 115.84 3dwd h ARG 50 Ca -0.00 -0.03 -0.05 0.00 -1.26 0.00 0.00 59.98 58.64 3dwd h ARG 50 Cb 0.49 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 3dwd h ARG 50 CO 0.03 0.44 -0.21 0.78 0.56 0.00 0.00 179.97 181.58 3dwd h GLY 51 N 1.16 0.05 1.46 0.04 0.00 -0.94 -3.23 103.07 101.60 3dwd h GLY 51 Ca 0.01 -0.03 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 3dwd h GLY 51 CO 0.05 0.03 -0.43 1.41 0.00 0.00 0.00 176.54 177.60 3dwd h LEU 52 N 0.04 0.63 0.00 3.11 3.38 -1.44 -3.49 115.31 117.54 3dwd h LEU 52 Ca 0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3dwd h LEU 52 Cb 0.39 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3dwd h LEU 52 CO 0.03 0.97 0.00 0.61 0.09 0.00 0.00 178.44 180.14 3dwd n GLY 53 N 0.04 3.13 0.22 0.83 0.00 -1.22 -4.70 105.19 103.48 3dwd n GLY 53 Ca -0.02 -1.56 0.15 0.00 0.00 0.00 0.00 46.02 44.59 3dwd n GLY 53 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3dwd h VAL 54 N 0.00 0.00 0.00 1.61 3.04 -1.85 0.24 116.25 119.30 3dwd h VAL 54 Ca 0.00 -0.04 -0.02 0.00 -1.01 0.00 0.00 66.70 65.63 3dwd h VAL 54 Cb 0.00 0.71 -0.00 0.00 -2.01 0.00 0.00 31.29 29.99 3dwd h VAL 54 CO 0.00 0.00 -0.08 1.12 -1.01 0.00 0.00 177.57 177.60 3dwd h HIS 55 N 0.00 0.00 0.00 3.17 -0.00 -1.99 -3.33 115.15 113.00 3dwd h HIS 55 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 60.37 60.17 3dwd h HIS 55 Cb 0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.42 3dwd h HIS 55 CO 0.00 0.08 -1.84 1.28 -0.00 0.00 0.00 177.93 177.45 3dwd n LEU 56 N -3.19 0.00 -3.33 6.12 4.77 0.72 -4.99 117.00 117.11 3dwd n LEU 56 Ca 0.01 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.95 3dwd n LEU 56 Cb 0.38 0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 41.69 3dwd n LEU 56 CO 0.30 0.27 0.05 -0.55 -1.33 0.00 0.00 177.39 176.13 3dwd s SER 57 N -4.41 -0.50 -0.39 -1.43 0.15 -0.39 -4.96 113.70 101.77 3dwd s SER 57 Ca -0.06 0.64 -0.20 0.00 0.70 0.00 0.00 55.95 57.03 3dwd s SER 57 Cb 0.05 1.60 0.01 0.00 -1.71 0.00 0.00 66.02 65.97 3dwd s SER 57 CO 0.53 -0.27 0.61 0.12 1.20 0.00 0.00 173.24 175.42 3dwd s PHE 58 N 2.69 3.12 -0.12 3.44 5.36 -1.26 -4.03 117.98 127.18 3dwd s PHE 58 Ca 0.13 0.10 -0.11 0.00 -0.96 0.00 0.00 56.93 56.09 3dwd s PHE 58 Cb -0.15 -3.18 -0.05 0.00 -0.34 0.00 0.00 43.02 39.31 3dwd s PHE 58 CO -0.18 -0.72 0.25 0.08 -1.46 0.00 0.00 175.22 173.19 3dwd s VAL 59 N 2.67 5.32 0.22 3.12 1.01 -1.26 -0.30 120.40 131.19 3dwd s VAL 59 Ca 0.22 0.46 -0.02 0.00 0.00 0.00 0.00 61.98 62.64 3dwd s VAL 59 Cb -0.15 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3dwd s VAL 59 CO 0.16 0.51 0.20 -0.13 0.00 0.00 0.00 175.10 175.85 3dwd s ARG 60 N -0.39 1.33 0.06 2.72 0.52 -1.09 -4.98 118.95 117.12 3dwd s ARG 60 Ca 0.17 -1.63 0.01 0.00 -0.52 0.00 0.00 55.73 53.76 3dwd s ARG 60 Cb -0.13 0.31 -0.04 0.00 0.52 0.00 0.00 34.95 35.61 3dwd s ARG 60 CO 0.05 -0.46 0.17 0.45 0.02 0.00 0.00 175.30 175.52 3dwd s SER 61 N -3.17 6.10 0.48 0.23 0.15 -1.26 -2.41 113.70 113.82 3dwd s SER 61 Ca 0.37 0.19 0.16 0.00 0.70 0.00 0.00 55.95 57.37 3dwd s SER 61 Cb 0.05 -1.82 1.16 0.00 -1.71 0.00 0.00 66.02 63.71 3dwd s SER 61 CO 0.14 0.18 2.07 -0.37 1.20 0.00 0.00 173.24 176.46 3dwd h VAL 62 N 2.33 0.95 0.00 4.45 -1.51 -1.47 -3.04 116.25 117.96 3dwd h VAL 62 Ca -0.46 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 3dwd h VAL 62 Cb 1.16 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 3dwd h VAL 62 CO 0.72 0.04 -0.91 0.41 -1.23 0.00 0.00 177.57 176.60 3dwd n THR 63 N -4.48 0.14 0.00 7.19 -1.04 -1.26 -5.01 114.28 109.82 3dwd n THR 63 Ca 0.03 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 3dwd n THR 63 Cb 0.24 0.26 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 3dwd n THR 63 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 3dwd n MET 64 N -1.85 0.00 0.00 -2.82 3.85 -1.15 -5.14 117.12 110.00 3dwd n MET 64 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.70 56.73 3dwd n MET 64 Cb 0.41 0.00 0.00 0.00 -1.05 0.00 0.00 33.22 32.58 3dwd n MET 64 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 3dwd n TRP 67 N 0.00 0.00 -3.97 3.17 7.02 -1.26 -4.93 117.44 117.47 3dwd n TRP 67 Ca 0.00 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.23 3dwd n TRP 67 Cb 0.00 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 3dwd n TRP 67 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3dwd s LYS 68 N -1.14 3.36 0.16 -0.99 1.02 -1.26 -5.02 119.74 115.88 3dwd s LYS 68 Ca 0.00 -0.66 -0.24 0.00 0.02 0.00 0.00 55.97 55.08 3dwd s LYS 68 Cb 0.00 -2.91 0.04 0.00 -0.52 0.00 0.00 37.83 34.45 3dwd s LYS 68 CO 0.00 0.50 1.59 -0.44 -0.92 0.00 0.00 175.35 176.08 3dwd h ASP 69 N 2.04 -1.21 -0.22 2.83 5.19 -2.05 -1.03 116.42 121.97 3dwd h ASP 69 Ca -0.49 0.20 -0.02 0.00 -0.62 0.00 0.00 57.03 56.11 3dwd h ASP 69 Cb 1.20 0.55 -0.01 0.00 0.18 0.00 0.00 39.33 41.26 3dwd h ASP 69 CO 0.67 -0.34 0.07 -0.29 -3.12 0.00 0.00 179.24 176.24 3dwd h ILE 70 N -0.27 1.18 -0.65 0.35 6.09 -1.96 0.72 117.51 122.97 3dwd h ILE 70 Ca 0.17 -0.56 0.14 0.00 -1.37 0.00 0.00 64.86 63.23 3dwd h ILE 70 Cb 0.56 1.15 -0.11 0.00 0.47 0.00 0.00 36.82 38.88 3dwd h ILE 70 CO -0.56 0.18 -0.02 -0.33 -3.07 0.00 0.00 178.15 174.35 3dwd h GLU 71 N 0.19 0.10 -0.22 2.19 5.08 -1.92 -0.64 114.58 119.35 3dwd h GLU 71 Ca 0.07 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 3dwd h GLU 71 Cb 0.21 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3dwd h GLU 71 CO -0.00 0.06 -0.31 -0.07 -1.00 0.00 0.00 179.01 177.69 3dwd h LEU 72 N 0.10 0.45 -1.07 1.33 3.38 -0.22 -2.66 115.31 116.62 3dwd h LEU 72 Ca 0.34 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 3dwd h LEU 72 Cb 0.56 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3dwd h LEU 72 CO -0.58 0.74 -0.25 -0.33 0.09 0.00 0.00 178.44 178.11 3dwd h GLU 73 N 0.38 0.36 0.00 1.13 4.39 0.25 -2.29 114.58 118.80 3dwd h GLU 73 Ca 0.05 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 3dwd h GLU 73 Cb 0.73 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 3dwd h GLU 73 CO 0.06 0.59 -0.26 0.87 -1.16 0.00 0.00 179.01 179.10 3dwd h LYS 74 N 0.32 0.00 -0.26 2.33 1.57 -0.80 -2.31 116.57 117.42 3dwd h LYS 74 Ca 0.05 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 3dwd h LYS 74 Cb 0.61 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 3dwd h LYS 74 CO 0.04 0.26 -0.32 0.52 -0.57 0.00 0.00 179.45 179.39 3dwd h MET 75 N 0.00 0.67 -0.78 3.15 2.86 -1.34 -2.06 114.93 117.43 3dwd h MET 75 Ca -0.00 -0.38 0.07 0.00 -2.06 0.00 0.00 59.70 57.33 3dwd h MET 75 Cb 0.48 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.11 3dwd h MET 75 CO 0.03 0.99 0.51 0.87 1.06 0.00 0.00 176.91 180.38 3dwd h LYS 76 N 0.40 0.79 0.00 1.72 1.57 -1.34 -3.08 116.57 116.63 3dwd h LYS 76 Ca 0.03 -0.05 -0.19 0.00 -1.87 0.00 0.00 60.65 58.58 3dwd h LYS 76 Cb 0.90 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.00 3dwd h LYS 76 CO 0.08 0.52 -0.89 0.00 -0.57 0.00 0.00 179.45 178.59 3dwd h ALA 77 N 1.58 0.43 -3.00 3.86 0.00 -1.04 -3.46 119.26 117.64 3dwd h ALA 77 Ca 0.34 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3dwd h ALA 77 Cb 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3dwd h ALA 77 CO -0.12 1.11 0.00 0.41 0.00 0.00 0.00 179.25 180.65 3dwd n GLY 78 N 1.31 1.84 0.00 0.00 0.00 -0.81 -4.89 105.19 102.64 3dwd n GLY 78 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.27 3dwd n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwd n GLY 79 N 5.00 4.57 0.15 -0.02 0.00 -0.65 -4.81 105.19 109.42 3dwd n GLY 79 Ca 0.00 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 3dwd n GLY 79 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dwd h ASN 80 N 0.00 -0.25 -0.21 1.61 2.35 -1.72 -1.56 115.58 115.80 3dwd h ASN 80 Ca 0.00 -0.19 -0.13 0.00 -0.55 0.00 0.00 56.30 55.43 3dwd h ASN 80 Cb 0.00 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3dwd h ASN 80 CO 0.00 0.07 -0.33 0.00 -1.65 0.00 0.00 177.43 175.52 3dwd h ALA 81 N 0.13 0.80 -0.74 -0.83 0.00 -1.81 -1.81 119.26 115.00 3dwd h ALA 81 Ca -0.03 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3dwd h ALA 81 Cb 0.42 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3dwd h ALA 81 CO 0.05 0.65 0.45 -0.22 0.00 0.00 0.00 179.25 180.18 3dwd h LYS 82 N 0.61 1.00 -0.32 0.00 3.64 -1.82 0.14 116.57 119.82 3dwd h LYS 82 Ca 0.07 -0.09 -0.17 0.00 -1.27 0.00 0.00 60.65 59.19 3dwd h LYS 82 Cb 0.85 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3dwd h LYS 82 CO 0.07 0.70 -0.47 0.35 -2.27 0.00 0.00 179.45 177.83 3dwd h PHE 83 N 1.01 1.04 -0.14 1.91 3.57 -1.07 -1.21 116.94 122.05 3dwd h PHE 83 Ca 0.27 -0.34 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 3dwd h PHE 83 Cb -0.05 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.48 3dwd h PHE 83 CO -0.01 1.15 -0.01 -0.09 -2.23 0.00 0.00 178.31 177.12 3dwd h ARG 84 N 0.67 0.26 -0.01 1.11 2.43 -1.16 -0.37 114.38 117.30 3dwd h ARG 84 Ca 0.04 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3dwd h ARG 84 Cb 1.06 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.54 3dwd h ARG 84 CO 0.11 0.50 -0.27 1.49 -1.51 0.00 0.00 179.97 180.29 3dwd h GLU 85 N -0.02 -0.39 -0.27 0.20 4.57 -0.88 0.10 114.58 117.89 3dwd h GLU 85 Ca 0.04 0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.31 3dwd h GLU 85 Cb 0.39 0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 29.00 3dwd h GLU 85 CO 0.01 -0.26 -0.21 0.35 -1.18 0.00 0.00 179.01 177.72 3dwd h PHE 86 N -0.41 -0.53 -0.52 0.92 3.57 -1.13 -2.07 116.94 116.77 3dwd h PHE 86 Ca 0.07 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.69 3dwd h PHE 86 Cb 0.50 0.28 -0.07 0.00 2.79 0.00 0.00 35.95 39.45 3dwd h PHE 86 CO -0.31 -0.28 0.15 -0.07 -2.23 0.00 0.00 178.31 175.56 3dwd h LEU 87 N -0.19 0.09 -2.04 0.59 3.38 -0.73 -2.75 115.31 113.66 3dwd h LEU 87 Ca 0.15 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3dwd h LEU 87 Cb 0.42 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3dwd h LEU 87 CO -0.38 0.08 -0.03 -0.33 0.09 0.00 0.00 178.44 177.86 3dwd h GLU 88 N 0.30 0.00 -0.16 1.13 5.08 -0.27 -2.45 114.58 118.21 3dwd h GLU 88 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3dwd h GLU 88 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3dwd h GLU 88 CO -0.30 0.03 0.00 -1.13 -1.00 0.00 0.00 179.01 176.61 3dwd n SER 89 N -3.19 3.07 -4.79 1.42 3.41 -1.05 -4.91 113.62 107.58 3dwd n SER 89 Ca -0.01 -1.95 -0.36 0.00 -0.26 0.00 0.00 58.87 56.29 3dwd n SER 89 Cb 0.22 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 3dwd n SER 89 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3dwd s GLN 90 N -1.72 4.43 0.38 4.33 -1.52 -0.92 -4.97 119.66 119.67 3dwd s GLN 90 Ca 0.30 1.33 0.10 0.00 -1.95 0.00 0.00 55.36 55.14 3dwd s GLN 90 Cb 0.20 -2.62 0.86 0.00 -0.22 0.00 0.00 33.01 31.22 3dwd s GLN 90 CO 0.29 0.13 1.93 1.49 -0.25 0.00 0.00 175.29 178.88 3dwd h GLU 91 N 2.78 0.61 -0.04 2.91 4.81 -1.91 -2.53 114.58 121.22 3dwd h GLU 91 Ca -0.48 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3dwd h GLU 91 Cb 1.19 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.44 3dwd h GLU 91 CO 0.64 0.40 0.00 -0.25 -0.73 0.00 0.00 179.01 179.07 3dwd n ASP 92 N -4.50 1.88 -4.55 1.04 9.92 -1.26 -4.98 116.55 114.10 3dwd n ASP 92 Ca 0.13 -1.64 -0.57 0.00 -0.53 0.00 0.00 54.79 52.19 3dwd n ASP 92 Cb 0.36 -0.01 -0.07 0.00 -0.64 0.00 0.00 41.12 40.76 3dwd n ASP 92 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3dwd n TYR 93 N 0.47 1.08 -3.91 1.24 9.36 -0.96 -4.97 117.16 119.48 3dwd n TYR 93 Ca 0.18 0.88 -0.30 0.00 3.32 0.00 0.00 57.90 61.98 3dwd n TYR 93 Cb 0.41 -2.20 -0.16 0.00 -0.63 0.00 0.00 39.34 36.76 3dwd n TYR 93 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3dwd s ASP 94 N 0.45 3.55 0.01 2.98 -1.08 -1.26 -5.00 116.67 116.32 3dwd s ASP 94 Ca 0.89 -1.04 0.17 0.00 -0.52 0.00 0.00 52.55 52.06 3dwd s ASP 94 Cb -1.15 -1.06 0.74 0.00 -1.46 0.00 0.00 42.92 39.99 3dwd s ASP 94 CO 0.54 -0.23 1.56 -0.81 0.52 0.00 0.00 175.17 176.75 3dwd n PRO 95 N 4.75 0.01 -0.63 4.34 -0.04 -1.26 -1.38 135.00 140.78 3dwd n PRO 95 Ca -0.12 0.21 0.07 0.00 -0.04 0.00 0.00 63.50 63.62 3dwd n PRO 95 Cb 0.45 -1.51 0.31 0.00 -0.04 0.00 0.00 33.50 32.71 3dwd n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dwd n TRP 97 N 0.68 2.36 -1.52 0.00 8.01 -0.48 -5.01 117.44 121.47 3dwd n TRP 97 Ca 0.22 0.54 -0.29 0.00 -1.31 0.00 0.00 57.50 56.66 3dwd n TRP 97 Cb 0.90 -2.43 0.16 0.00 -2.01 0.00 0.00 31.31 27.94 3dwd n TRP 97 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 3dwd s SER 98 N -0.29 3.03 0.18 -0.99 1.04 -1.26 -4.79 113.70 110.62 3dwd s SER 98 Ca 0.55 0.80 -0.10 0.00 0.48 0.00 0.00 55.95 57.68 3dwd s SER 98 Cb -0.56 -1.25 0.09 0.00 0.10 0.00 0.00 66.02 64.41 3dwd s SER 98 CO 0.62 -2.83 1.71 0.25 0.98 0.00 0.00 173.24 173.97 3dwd h LEU 99 N -1.69 0.94 -0.47 2.42 5.85 -1.99 -0.56 115.31 119.80 3dwd h LEU 99 Ca -0.49 -0.21 -0.13 0.00 0.84 0.00 0.00 57.88 57.90 3dwd h LEU 99 Cb 1.31 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 3dwd h LEU 99 CO 0.54 0.90 -0.19 1.56 -0.34 0.00 0.00 178.44 180.90 3dwd h GLN 100 N 0.93 0.97 -0.55 1.25 4.20 -1.99 -2.67 115.11 117.26 3dwd h GLN 100 Ca 0.21 -0.41 -0.05 0.00 0.06 0.00 0.00 58.65 58.46 3dwd h GLN 100 Cb 0.30 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3dwd h GLN 100 CO -0.01 1.08 0.15 0.93 -0.67 0.00 0.00 178.83 180.31 3dwd h GLU 101 N 0.82 0.86 0.40 1.46 5.08 -1.87 -0.30 114.58 121.02 3dwd h GLU 101 Ca 0.11 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3dwd h GLU 101 Cb 0.77 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3dwd h GLU 101 CO 0.06 0.80 -0.33 -0.22 -1.00 0.00 0.00 179.01 178.32 3dwd h LYS 102 N 0.77 -0.71 0.00 2.33 3.64 -1.09 -1.07 116.57 120.43 3dwd h LYS 102 Ca 0.17 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3dwd h LYS 102 Cb 0.32 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3dwd h LYS 102 CO -0.00 -0.47 0.00 1.88 -2.27 0.00 0.00 179.45 178.59 3dwd h TYR 103 N -0.74 0.00 -0.23 1.91 -1.99 -1.45 -2.04 116.97 112.43 3dwd h TYR 103 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3dwd h TYR 103 Cb 0.64 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.37 3dwd h TYR 103 CO -0.17 0.00 0.00 0.09 -0.00 0.00 0.00 178.16 178.08 3dwd n ASN 104 N -2.82 1.76 -4.85 3.88 3.02 -0.13 -4.67 115.26 111.45 3dwd n ASN 104 Ca 0.04 -1.80 -0.31 0.00 -0.03 0.00 0.00 54.58 52.48 3dwd n ASN 104 Cb 0.46 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 3dwd n ASN 104 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3dwd s SER 105 N -1.39 6.20 0.21 6.41 1.04 -0.42 -4.95 113.70 120.80 3dwd s SER 105 Ca 0.30 1.50 -0.09 0.00 0.48 0.00 0.00 55.95 58.13 3dwd s SER 105 Cb 0.16 -2.49 0.23 0.00 0.10 0.00 0.00 66.02 64.03 3dwd s SER 105 CO 0.23 -0.89 1.82 -0.09 0.98 0.00 0.00 173.24 175.30 3dwd h ARG 106 N -0.04 0.73 -0.37 4.02 2.43 -1.90 -1.89 114.38 117.37 3dwd h ARG 106 Ca -0.45 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 58.72 3dwd h ARG 106 Cb 1.19 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.54 3dwd h ARG 106 CO 0.61 0.48 0.14 0.00 -1.51 0.00 0.00 179.97 179.69 3dwd h ALA 107 N 1.34 0.44 -0.24 2.80 0.00 -1.93 0.81 119.26 122.48 3dwd h ALA 107 Ca 0.30 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.29 3dwd h ALA 107 Cb 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3dwd h ALA 107 CO -0.16 -0.25 -0.03 0.00 0.00 0.00 0.00 179.25 178.81 3dwd h ALA 108 N 1.23 0.18 -0.38 0.00 0.00 -1.68 -1.13 119.26 117.47 3dwd h ALA 108 Ca 0.17 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.23 3dwd h ALA 108 Cb 0.13 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 3dwd h ALA 108 CO -0.16 -0.45 -0.12 0.00 0.00 0.00 0.00 179.25 178.53 3dwd h ALA 109 N 1.22 0.22 -0.41 0.00 0.00 -0.61 -0.79 119.26 118.90 3dwd h ALA 109 Ca 0.11 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3dwd h ALA 109 Cb 0.16 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3dwd h ALA 109 CO -0.22 -0.48 0.07 -0.07 0.00 0.00 0.00 179.25 178.56 3dwd h LEU 110 N -0.03 0.57 -0.12 0.00 3.38 -0.45 -2.53 115.31 116.14 3dwd h LEU 110 Ca 0.19 -0.09 -0.24 0.00 0.09 0.00 0.00 57.88 57.83 3dwd h LEU 110 Cb 0.31 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.93 3dwd h LEU 110 CO -0.41 0.59 -0.91 0.15 0.09 0.00 0.00 178.44 177.95 3dwd h PHE 111 N 0.60 0.96 -0.87 1.13 3.57 -0.51 -1.58 116.94 120.23 3dwd h PHE 111 Ca 0.13 -0.48 0.18 0.00 3.53 0.00 0.00 57.97 61.34 3dwd h PHE 111 Cb 0.27 -0.13 -0.17 0.00 2.79 0.00 0.00 35.95 38.72 3dwd h PHE 111 CO 0.01 1.30 -0.20 0.00 -2.23 0.00 0.00 178.31 177.19 3dwd h ARG 112 N 0.42 0.00 0.04 1.11 3.08 -0.84 -1.06 114.38 117.13 3dwd h ARG 112 Ca -0.09 -0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.72 3dwd h ARG 112 Cb 1.54 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.60 3dwd h ARG 112 CO 0.18 0.00 -1.04 -0.44 -1.07 0.00 0.00 179.97 177.60 3dwd h ASP 113 N 0.00 0.57 -0.73 7.04 5.19 -1.25 -0.67 116.42 126.57 3dwd h ASP 113 Ca 0.43 -0.49 0.10 0.00 -0.62 0.00 0.00 57.03 56.44 3dwd h ASP 113 Cb 0.66 -0.18 -0.07 0.00 0.18 0.00 0.00 39.33 39.92 3dwd h ASP 113 CO -0.89 1.31 0.37 0.50 -3.12 0.00 0.00 179.24 177.40 3dwd h LYS 114 N 0.21 0.60 -0.14 3.56 3.64 -1.03 -1.27 116.57 122.14 3dwd h LYS 114 Ca -0.10 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 3dwd h LYS 114 Cb 1.69 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 33.37 3dwd h LYS 114 CO 0.18 0.40 -0.02 0.28 -2.27 0.00 0.00 179.45 178.02 3dwd h VAL 115 N 0.62 1.27 -0.21 2.00 2.07 -0.68 0.18 116.25 121.49 3dwd h VAL 115 Ca 0.36 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 3dwd h VAL 115 Cb 0.39 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3dwd h VAL 115 CO -0.28 0.27 0.13 0.58 0.02 0.00 0.00 177.57 178.29 3dwd h VAL 116 N -0.02 1.08 -0.21 2.57 2.07 -0.98 0.14 116.25 120.90 3dwd h VAL 116 Ca 0.04 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3dwd h VAL 116 Cb 0.42 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3dwd h VAL 116 CO 0.01 0.07 0.12 0.00 0.02 0.00 0.00 177.57 177.79 3dwd h ALA 117 N 1.05 0.27 -0.59 1.67 0.00 -1.21 -2.24 119.26 118.21 3dwd h ALA 117 Ca 0.08 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3dwd h ALA 117 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3dwd h ALA 117 CO -0.02 -0.20 0.36 -0.07 0.00 0.00 0.00 179.25 179.32 3dwd h LEU 118 N 0.24 0.59 -1.08 0.00 3.38 -0.78 -2.95 115.31 114.72 3dwd h LEU 118 Ca 0.08 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.12 3dwd h LEU 118 Cb 0.06 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 3dwd h LEU 118 CO -0.01 0.41 0.62 0.00 0.09 0.00 0.00 178.44 179.55 3dwd h ALA 119 N 1.25 1.47 -0.00 1.53 0.00 -0.47 -3.50 119.26 119.55 3dwd h ALA 119 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3dwd h ALA 119 Cb 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3dwd h ALA 119 CO -0.10 0.39 0.00 -0.85 0.00 0.00 0.00 179.25 178.69