#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4s n MET 1 N 0.00 3.42 0.10 1.43 0.00 -1.26 -4.20 117.12 116.61 3a4s n MET 1 Ca 0.00 -3.15 0.00 0.00 -0.00 0.00 0.00 57.70 54.55 3a4s n MET 1 Cb 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 33.22 30.19 3a4s n MET 1 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3a4s n SER 2 N 4.49 -1.83 -0.02 6.12 2.88 -1.26 -4.98 113.62 119.01 3a4s n SER 2 Ca 0.47 0.67 0.13 0.00 -1.33 0.00 0.00 58.87 58.81 3a4s n SER 2 Cb 0.36 1.97 0.56 0.00 -0.75 0.00 0.00 64.21 66.36 3a4s n SER 2 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3a4s h GLY 3 N 0.00 0.37 1.15 0.46 0.00 -1.93 -2.90 103.07 100.22 3a4s h GLY 3 Ca 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 47.33 47.09 3a4s h GLY 3 CO 0.00 0.07 -0.25 0.16 0.00 0.00 0.00 176.54 176.52 3a4s h ILE 4 N 0.26 1.27 0.06 2.60 3.07 -1.90 -1.00 117.51 121.87 3a4s h ILE 4 Ca 0.23 -1.41 -0.00 0.00 1.55 0.00 0.00 64.86 65.23 3a4s h ILE 4 Cb 0.58 1.18 0.00 0.00 -0.27 0.00 0.00 36.82 38.31 3a4s h ILE 4 CO -0.05 0.48 -0.03 0.00 -1.05 0.00 0.00 178.15 177.51 3a4s h ALA 5 N 0.88 -0.08 -0.43 0.16 0.00 -1.59 -1.78 119.26 116.43 3a4s h ALA 5 Ca 0.10 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.86 3a4s h ALA 5 Cb 0.83 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 3a4s h ALA 5 CO 0.07 -0.32 0.02 -0.07 0.00 0.00 0.00 179.25 178.96 3a4s h LEU 6 N -0.55 -0.13 -0.99 0.00 3.38 -1.56 0.37 115.31 115.83 3a4s h LEU 6 Ca -0.01 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3a4s h LEU 6 Cb 0.48 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 3a4s h LEU 6 CO 0.01 -0.03 0.65 -1.28 0.09 0.00 0.00 178.44 177.88 3a4s h SER 7 N 0.13 1.08 -0.53 -0.43 0.87 -1.18 -0.63 113.55 112.87 3a4s h SER 7 Ca 0.21 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.64 3a4s h SER 7 Cb 0.30 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 3a4s h SER 7 CO -0.33 0.74 -0.14 -0.09 -0.53 0.00 0.00 176.83 176.47 3a4s h ARG 8 N 1.25 1.03 0.00 2.24 9.65 -0.36 -2.64 114.38 125.56 3a4s h ARG 8 Ca 0.39 -0.40 -0.08 0.00 -1.10 0.00 0.00 59.98 58.80 3a4s h ARG 8 Cb 0.00 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.51 3a4s h ARG 8 CO -0.12 1.09 -0.37 -0.07 2.80 0.00 0.00 179.97 183.30 3a4s h LEU 9 N 0.91 0.00 -0.92 3.80 3.38 -0.39 -2.25 115.31 119.84 3a4s h LEU 9 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3a4s h LEU 9 Cb 0.72 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 3a4s h LEU 9 CO 0.06 0.37 0.54 0.00 0.09 0.00 0.00 178.44 179.50 3a4s h ALA 10 N 1.63 1.17 -0.30 1.53 0.00 -0.76 -1.15 119.26 121.38 3a4s h ALA 10 Ca -0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3a4s h ALA 10 Cb 0.70 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3a4s h ALA 10 CO 0.05 0.64 -0.01 1.96 0.00 0.00 0.00 179.25 181.89 3a4s h GLN 11 N 1.27 0.54 -0.24 0.00 4.20 -1.31 -2.60 115.11 116.97 3a4s h GLN 11 Ca 0.33 -0.18 0.06 0.00 0.06 0.00 0.00 58.65 58.92 3a4s h GLN 11 Cb -0.03 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.64 3a4s h GLN 11 CO -0.06 0.69 -0.13 0.93 -0.67 0.00 0.00 178.83 179.59 3a4s h GLU 12 N 0.33 -0.10 -0.38 1.46 4.39 -0.83 -0.30 114.58 119.14 3a4s h GLU 12 Ca 0.08 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 3a4s h GLU 12 Cb 0.46 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 3a4s h GLU 12 CO 0.02 -0.07 0.18 -0.09 -1.16 0.00 0.00 179.01 177.89 3a4s h ARG 13 N -0.11 0.55 -0.69 2.33 2.43 -1.25 -0.09 114.38 117.55 3a4s h ARG 13 Ca 0.13 -0.08 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 3a4s h ARG 13 Cb 0.31 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 3a4s h ARG 13 CO -0.31 0.50 0.40 -0.22 -1.51 0.00 0.00 179.97 178.82 3a4s h LYS 14 N 0.48 0.72 -0.15 0.20 3.11 -1.02 -0.19 116.57 119.72 3a4s h LYS 14 Ca 0.13 -0.04 -0.18 0.00 -2.81 0.00 0.00 60.65 57.75 3a4s h LYS 14 Cb 0.13 -0.16 -0.00 0.00 -1.00 0.00 0.00 32.23 31.20 3a4s h LYS 14 CO -0.02 0.48 -0.65 0.00 -2.81 0.00 0.00 179.45 176.45 3a4s h ALA 15 N 1.34 0.57 -0.05 5.00 0.00 -0.80 -3.30 119.26 122.03 3a4s h ALA 15 Ca 0.30 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3a4s h ALA 15 Cb 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3a4s h ALA 15 CO -0.17 0.71 0.00 2.35 0.00 0.00 0.00 179.25 182.15 3a4s h TRP 16 N 0.42 0.09 0.00 0.00 2.91 -0.60 -2.63 115.95 116.14 3a4s h TRP 16 Ca -0.02 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.99 3a4s h TRP 16 Cb 1.23 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.85 3a4s h TRP 16 CO 0.05 0.35 0.00 0.54 -1.03 0.00 0.00 178.44 178.36 3a4s n ARG 17 N -4.89 0.10 -0.03 2.65 1.74 -0.12 -1.33 116.66 114.78 3a4s n ARG 17 Ca -0.07 0.60 0.03 0.00 -0.77 0.00 0.00 57.85 57.63 3a4s n ARG 17 Cb 0.17 -1.83 0.04 0.00 -1.02 0.00 0.00 32.46 29.82 3a4s n ARG 17 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3a4s n LYS 18 N -2.04 2.29 -3.04 5.56 2.85 -1.15 -4.94 118.16 117.68 3a4s n LYS 18 Ca -0.01 -1.70 0.04 0.00 -1.05 0.00 0.00 58.31 55.59 3a4s n LYS 18 Cb 0.03 -1.08 0.00 0.00 -0.65 0.00 0.00 35.03 33.32 3a4s n LYS 18 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3a4s s ASP 19 N -1.42 -0.53 0.08 -5.58 2.15 -0.44 -5.08 116.67 105.85 3a4s s ASP 19 Ca 0.08 -0.04 -0.05 0.00 0.43 0.00 0.00 52.55 52.97 3a4s s ASP 19 Cb 0.07 1.11 -0.02 0.00 -0.30 0.00 0.00 42.92 43.78 3a4s s ASP 19 CO 0.01 -0.08 0.09 -1.38 -0.17 0.00 0.00 175.17 173.64 3a4s s HIS 20 N 2.61 0.36 0.48 -5.34 -3.43 -1.24 -4.58 115.29 104.14 3a4s s HIS 20 Ca 0.22 -0.84 -0.21 0.00 -0.80 0.00 0.00 55.06 53.43 3a4s s HIS 20 Cb -0.01 -0.22 -0.08 0.00 -1.43 0.00 0.00 32.58 30.84 3a4s s HIS 20 CO -0.20 -0.48 1.09 -2.14 -2.00 0.00 0.00 174.74 171.01 3a4s s PRO 21 N -3.90 3.75 0.22 -0.38 0.02 -1.26 -4.95 135.00 128.49 3a4s s PRO 21 Ca 0.08 1.56 -0.32 0.00 0.02 0.00 0.00 61.00 62.33 3a4s s PRO 21 Cb 0.06 -2.24 -0.12 0.00 0.02 0.00 0.00 34.50 32.22 3a4s s PRO 21 CO -0.09 -0.51 1.68 0.34 -0.33 0.00 0.00 177.00 178.09 3a4s n PHE 22 N -0.75 2.69 0.00 6.54 -0.00 -1.26 -2.27 117.46 122.42 3a4s n PHE 22 Ca 0.08 0.12 0.00 0.00 -0.00 0.00 0.00 57.45 57.65 3a4s n PHE 22 Cb 0.50 -2.64 0.00 0.00 -0.00 0.00 0.00 39.48 37.34 3a4s n PHE 22 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3a4s n GLY 23 N 3.54 3.24 3.79 7.13 0.00 -1.26 -4.93 105.19 116.71 3a4s n GLY 23 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3a4s n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a4s s PHE 24 N -2.86 3.80 -0.01 1.61 0.40 -0.96 -4.28 117.98 115.68 3a4s s PHE 24 Ca 0.00 1.57 0.02 0.00 -0.60 0.00 0.00 56.93 57.91 3a4s s PHE 24 Cb 0.00 -2.73 0.00 0.00 0.51 0.00 0.00 43.02 40.80 3a4s s PHE 24 CO 0.00 0.43 -0.06 0.14 0.70 0.00 0.00 175.22 176.43 3a4s s VAL 25 N -1.32 0.51 -0.30 -0.44 -7.23 -1.01 -4.89 120.40 105.74 3a4s s VAL 25 Ca 0.39 -0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.33 3a4s s VAL 25 Cb -0.21 -0.46 0.14 0.00 0.56 0.00 0.00 36.38 36.42 3a4s s VAL 25 CO 0.24 0.16 0.32 0.00 -0.31 0.00 0.00 175.10 175.51 3a4s s ALA 26 N 0.10 -0.55 -0.02 1.32 0.00 -1.26 -1.02 121.76 120.32 3a4s s ALA 26 Ca -0.01 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.66 3a4s s ALA 26 Cb -0.05 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.21 3a4s s ALA 26 CO -0.00 -1.76 -0.08 0.54 0.00 0.00 0.00 175.76 174.46 3a4s s VAL 27 N 2.30 0.72 0.30 0.00 0.11 -0.59 -4.96 120.40 118.29 3a4s s VAL 27 Ca 0.10 -0.34 -0.28 0.00 -2.93 0.00 0.00 61.98 58.53 3a4s s VAL 27 Cb -0.14 -0.64 -0.14 0.00 -1.53 0.00 0.00 36.38 33.94 3a4s s VAL 27 CO -0.30 0.23 1.04 -2.65 -3.33 0.00 0.00 175.10 170.08 3a4s n PRO 28 N 3.23 1.44 -2.04 1.54 -0.02 -1.26 -0.80 135.00 137.09 3a4s n PRO 28 Ca -0.17 0.50 -0.35 0.00 -2.02 0.00 0.00 63.50 61.46 3a4s n PRO 28 Cb 0.55 -1.91 0.02 0.00 -0.02 0.00 0.00 33.50 32.15 3a4s n PRO 28 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3a4s s THR 29 N -1.08 3.05 0.29 3.45 -1.32 0.01 -4.71 115.64 115.33 3a4s s THR 29 Ca 0.58 0.60 0.07 0.00 -1.21 0.00 0.00 61.69 61.73 3a4s s THR 29 Cb -0.68 -3.19 -0.03 0.00 -1.51 0.00 0.00 72.50 67.10 3a4s s THR 29 CO 0.60 -0.20 0.30 -0.75 -2.21 0.00 0.00 174.62 172.36 3a4s s LYS 30 N -3.55 2.99 0.00 7.08 2.20 -1.26 -1.52 119.74 125.68 3a4s s LYS 30 Ca 0.72 -1.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.27 3a4s s LYS 30 Cb -0.24 -2.64 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 3a4s s LYS 30 CO 0.33 0.26 0.00 -2.37 -0.36 0.00 0.00 175.35 173.21 3a4s n THR 35 N -1.35 0.00 -3.54 3.43 5.66 -1.26 -4.78 114.28 112.43 3a4s n THR 35 Ca -0.05 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.58 3a4s n THR 35 Cb 0.58 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.30 3a4s n THR 35 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 3a4s s MET 36 N 0.00 4.04 -0.60 1.09 -1.94 -1.26 -5.05 119.30 115.58 3a4s s MET 36 Ca 0.00 0.23 -0.13 0.00 -1.71 0.00 0.00 55.69 54.07 3a4s s MET 36 Cb 0.00 -3.32 0.15 0.00 2.01 0.00 0.00 34.83 33.67 3a4s s MET 36 CO 0.00 0.46 0.53 1.21 -0.01 0.00 0.00 175.02 177.21 3a4s s ASN 37 N -0.26 6.17 0.18 3.03 2.47 -0.58 -4.93 114.94 121.03 3a4s s ASN 37 Ca 0.20 -2.10 0.16 0.00 0.42 0.00 0.00 52.86 51.54 3a4s s ASN 37 Cb -0.14 -2.15 0.77 0.00 -1.45 0.00 0.00 41.25 38.27 3a4s s ASN 37 CO 0.08 -0.73 1.49 0.18 -3.72 0.00 0.00 177.10 174.40 3a4s n LEU 38 N 4.76 0.37 0.01 3.21 4.77 -1.26 -1.59 117.00 127.27 3a4s n LEU 38 Ca -0.05 0.64 0.13 0.00 -0.03 0.00 0.00 56.01 56.70 3a4s n LEU 38 Cb 0.42 -0.64 0.50 0.00 -2.33 0.00 0.00 43.42 41.37 3a4s n LEU 38 CO 0.45 -0.64 0.81 0.23 -1.33 0.00 0.00 177.39 176.92 3a4s n MET 39 N -1.96 0.02 -3.52 3.23 2.81 -1.26 -4.71 117.12 111.73 3a4s n MET 39 Ca 0.01 0.01 -0.20 0.00 -1.81 0.00 0.00 57.70 55.70 3a4s n MET 39 Cb 0.10 -1.52 -0.14 0.00 -0.71 0.00 0.00 33.22 30.95 3a4s n MET 39 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3a4s s ASN 40 N -3.10 1.67 0.13 7.83 3.84 -0.62 -0.53 114.94 124.17 3a4s s ASN 40 Ca 0.13 -0.36 0.05 0.00 0.21 0.00 0.00 52.86 52.89 3a4s s ASN 40 Cb 0.18 0.21 -0.04 0.00 -0.55 0.00 0.00 41.25 41.05 3a4s s ASN 40 CO 0.58 -0.34 0.09 0.26 -2.79 0.00 0.00 177.10 174.90 3a4s s TRP 41 N 2.27 3.10 -0.16 0.43 0.52 -0.61 -0.81 118.94 123.69 3a4s s TRP 41 Ca 0.06 -0.01 -0.04 0.00 0.02 0.00 0.00 56.10 56.13 3a4s s TRP 41 Cb -0.16 -1.53 -0.03 0.00 -1.15 0.00 0.00 33.47 30.61 3a4s s TRP 41 CO -0.12 0.51 -0.04 -1.21 0.02 0.00 0.00 176.95 176.12 3a4s s GLU 42 N -2.80 3.67 0.24 4.98 2.02 0.02 -0.90 118.70 125.95 3a4s s GLU 42 Ca 0.29 -0.52 0.04 0.00 0.02 0.00 0.00 54.97 54.81 3a4s s GLU 42 Cb -0.11 -2.92 -0.05 0.00 0.10 0.00 0.00 34.13 31.15 3a4s s GLU 42 CO 0.22 0.24 -0.02 0.00 0.02 0.00 0.00 175.26 175.72 3a4s s ALA 44 N -3.32 -0.61 -0.16 0.00 0.00 -0.19 -1.17 121.76 116.32 3a4s s ALA 44 Ca 0.29 0.97 -0.01 0.00 0.00 0.00 0.00 51.96 53.20 3a4s s ALA 44 Cb 0.05 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 3a4s s ALA 44 CO 0.10 -0.18 -0.10 0.42 0.00 0.00 0.00 175.76 175.99 3a4s s ILE 45 N 1.01 3.16 0.21 0.00 1.01 0.27 -2.40 121.20 124.45 3a4s s ILE 45 Ca -0.07 -0.61 -0.30 0.00 0.00 0.00 0.00 60.65 59.67 3a4s s ILE 45 Cb -0.08 -2.36 -0.08 0.00 0.01 0.00 0.00 42.46 39.94 3a4s s ILE 45 CO -0.07 0.50 0.96 -2.84 0.00 0.00 0.00 174.94 173.48 3a4s s PRO 46 N 0.70 4.80 0.57 2.79 0.02 -1.26 0.34 135.00 142.96 3a4s s PRO 46 Ca -0.05 1.50 -0.21 0.00 0.02 0.00 0.00 61.00 62.26 3a4s s PRO 46 Cb -0.15 -3.30 -0.04 0.00 0.02 0.00 0.00 34.50 31.03 3a4s s PRO 46 CO 0.02 0.42 1.34 0.41 -0.33 0.00 0.00 177.00 178.86 3a4s n GLY 47 N 1.68 0.73 3.77 0.52 0.00 -0.24 -4.94 105.19 106.71 3a4s n GLY 47 Ca -0.01 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 3a4s n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a4s s LYS 48 N -2.98 4.16 0.11 1.61 2.47 -1.26 -4.48 119.74 119.37 3a4s s LYS 48 Ca 0.74 2.21 -0.31 0.00 -1.56 0.00 0.00 55.97 57.05 3a4s s LYS 48 Cb -0.41 -2.92 -0.07 0.00 -1.46 0.00 0.00 37.83 32.97 3a4s s LYS 48 CO 0.47 -0.35 1.28 -1.59 0.16 0.00 0.00 175.35 175.33 3a4s s LYS 49 N -2.02 4.39 0.00 4.03 -2.85 -1.26 -2.63 119.74 119.41 3a4s s LYS 49 Ca 0.53 1.92 0.00 0.00 -1.00 0.00 0.00 55.97 57.42 3a4s s LYS 49 Cb -0.39 -3.28 0.00 0.00 -2.06 0.00 0.00 37.83 32.10 3a4s s LYS 49 CO 0.52 -0.30 0.00 0.41 0.10 0.00 0.00 175.35 176.08 3a4s n GLY 50 N 3.11 0.43 3.73 0.59 0.00 -1.26 -5.04 105.19 106.75 3a4s n GLY 50 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 3a4s n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a4s s THR 51 N -2.10 3.82 -1.56 2.61 -4.23 -1.08 -4.99 115.64 108.10 3a4s s THR 51 Ca 0.00 -1.67 0.03 0.00 -1.18 0.00 0.00 61.69 58.87 3a4s s THR 51 Cb 0.00 -3.09 0.07 0.00 1.34 0.00 0.00 72.50 70.81 3a4s s THR 51 CO 0.00 -0.34 0.87 -2.65 -0.54 0.00 0.00 174.62 171.95 3a4s n PRO 52 N -1.05 0.06 0.00 3.99 -0.02 -1.26 -0.53 135.00 136.19 3a4s n PRO 52 Ca -0.06 0.20 0.12 0.00 -2.02 0.00 0.00 63.50 61.73 3a4s n PRO 52 Cb 0.59 -1.50 0.17 0.00 -0.02 0.00 0.00 33.50 32.73 3a4s n PRO 52 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3a4s n TRP 53 N -1.22 0.00 -1.67 6.00 7.02 -1.26 -4.23 117.44 122.08 3a4s n TRP 53 Ca 0.02 0.00 -0.45 0.00 -1.02 0.00 0.00 57.50 56.05 3a4s n TRP 53 Cb 0.02 -0.09 -0.03 0.00 -2.42 0.00 0.00 31.31 28.80 3a4s n TRP 53 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3a4s n GLU 54 N -0.72 2.07 0.00 -0.99 2.13 0.31 -1.74 120.64 121.70 3a4s n GLU 54 Ca 0.09 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.65 3a4s n GLU 54 Cb 0.38 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.66 3a4s n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a4s n GLY 55 N 2.47 2.85 3.82 8.31 0.00 -1.26 -4.81 105.19 116.56 3a4s n GLY 55 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3a4s n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a4s s GLY 56 N -2.30 2.50 -0.28 -0.02 0.00 -0.71 -4.32 107.32 102.19 3a4s s GLY 56 Ca 0.00 0.22 0.01 0.00 0.00 0.00 0.00 44.72 44.95 3a4s s GLY 56 CO 0.00 0.52 0.01 -2.27 0.00 0.00 0.00 173.10 171.35 3a4s s LEU 57 N -2.59 3.07 -0.25 0.66 2.96 -0.66 -1.07 118.68 120.80 3a4s s LEU 57 Ca 0.52 -1.53 -0.09 0.00 -0.22 0.00 0.00 54.13 52.81 3a4s s LEU 57 Cb -0.13 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.29 3a4s s LEU 57 CO 0.19 -0.31 0.12 -0.36 -1.32 0.00 0.00 176.35 174.66 3a4s s PHE 58 N 1.32 3.16 -0.02 5.38 0.08 0.15 -4.84 117.98 123.21 3a4s s PHE 58 Ca 0.02 -0.14 -0.16 0.00 0.12 0.00 0.00 56.93 56.77 3a4s s PHE 58 Cb -0.19 -2.27 -0.05 0.00 -0.57 0.00 0.00 43.02 39.94 3a4s s PHE 58 CO -0.11 -0.21 0.44 0.15 -0.10 0.00 0.00 175.22 175.39 3a4s s LYS 59 N 1.49 4.06 0.29 0.44 1.02 -1.26 0.94 119.74 126.72 3a4s s LYS 59 Ca 0.06 0.44 0.06 0.00 0.02 0.00 0.00 55.97 56.56 3a4s s LYS 59 Cb -0.15 -3.28 -0.06 0.00 -0.52 0.00 0.00 37.83 33.82 3a4s s LYS 59 CO 0.06 0.55 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.49 3a4s s LEU 60 N -0.64 2.45 -0.11 3.17 1.02 -0.32 -0.33 118.68 123.92 3a4s s LEU 60 Ca 0.24 -1.23 0.02 0.00 0.02 0.00 0.00 54.13 53.19 3a4s s LEU 60 Cb -0.16 -0.61 -0.01 0.00 0.02 0.00 0.00 46.19 45.43 3a4s s LEU 60 CO 0.13 -0.39 -0.18 -0.60 0.02 0.00 0.00 176.35 175.34 3a4s s ARG 61 N -3.75 3.21 -0.47 1.70 3.52 0.29 -0.85 118.95 122.61 3a4s s ARG 61 Ca 0.31 -0.77 -0.09 0.00 -0.13 0.00 0.00 55.73 55.05 3a4s s ARG 61 Cb 0.05 -2.48 0.12 0.00 -1.56 0.00 0.00 34.95 31.07 3a4s s ARG 61 CO 0.13 0.22 0.34 1.41 -0.81 0.00 0.00 175.30 176.58 3a4s s MET 62 N 0.30 2.46 -0.32 5.12 1.75 -0.07 -2.00 119.30 126.54 3a4s s MET 62 Ca -0.13 -1.75 -0.18 0.00 -1.25 0.00 0.00 55.69 52.37 3a4s s MET 62 Cb -0.17 -3.91 -0.01 0.00 2.84 0.00 0.00 34.83 33.59 3a4s s MET 62 CO 0.07 -1.18 0.52 -0.51 -0.65 0.00 0.00 175.02 173.27 3a4s s LEU 63 N 1.36 4.23 0.49 4.11 1.43 -0.71 -1.57 118.68 128.01 3a4s s LEU 63 Ca 0.06 0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.36 3a4s s LEU 63 Cb -0.26 -2.62 0.02 0.00 0.03 0.00 0.00 46.19 43.36 3a4s s LEU 63 CO -0.01 -0.42 0.68 -0.36 0.23 0.00 0.00 176.35 176.47 3a4s s PHE 64 N 2.39 2.87 0.17 0.29 0.40 0.31 -0.69 117.98 123.72 3a4s s PHE 64 Ca 0.20 -0.15 0.05 0.00 -0.60 0.00 0.00 56.93 56.43 3a4s s PHE 64 Cb -0.15 -2.56 -0.05 0.00 0.51 0.00 0.00 43.02 40.77 3a4s s PHE 64 CO 0.12 -0.64 -0.10 0.15 0.70 0.00 0.00 175.22 175.45 3a4s s LYS 65 N -4.57 1.14 0.55 0.44 1.02 -1.26 -4.91 119.74 112.15 3a4s s LYS 65 Ca 0.55 -1.50 0.23 0.00 0.02 0.00 0.00 55.97 55.27 3a4s s LYS 65 Cb -0.10 -0.73 1.51 0.00 -0.52 0.00 0.00 37.83 37.99 3a4s s LYS 65 CO 0.36 0.08 2.16 0.38 -0.92 0.00 0.00 175.35 177.42 3a4s h ASP 66 N 2.71 0.00 -0.35 2.83 3.04 -1.95 -0.75 116.42 121.94 3a4s h ASP 66 Ca -0.37 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.42 3a4s h ASP 66 Cb 1.20 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.49 3a4s h ASP 66 CO 0.63 0.00 0.00 -0.90 -2.04 0.00 0.00 179.24 176.93 3a4s n ASP 67 N -4.20 2.42 -4.76 4.15 5.68 -1.26 -4.48 116.55 114.09 3a4s n ASP 67 Ca -0.01 -1.90 -0.37 0.00 -0.50 0.00 0.00 54.79 52.01 3a4s n ASP 67 Cb 0.17 -0.23 0.01 0.00 -1.14 0.00 0.00 41.12 39.93 3a4s n ASP 67 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3a4s s TYR 68 N -1.54 2.66 -0.93 2.11 5.04 -0.29 -1.23 117.35 123.17 3a4s s TYR 68 Ca 0.33 1.48 0.06 0.00 -2.44 0.00 0.00 57.07 56.50 3a4s s TYR 68 Cb 0.18 -3.53 0.30 0.00 0.35 0.00 0.00 41.96 39.26 3a4s s TYR 68 CO 0.25 -2.01 1.01 -0.35 -1.34 0.00 0.00 175.55 173.11 3a4s n PRO 69 N -0.72 2.33 0.16 4.97 -0.05 -1.26 -3.70 135.00 136.73 3a4s n PRO 69 Ca 0.09 -1.15 0.02 0.00 -0.05 0.00 0.00 63.50 62.40 3a4s n PRO 69 Cb 0.47 -1.69 0.21 0.00 -0.05 0.00 0.00 33.50 32.43 3a4s n PRO 69 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 3a4s h SER 70 N 1.52 0.00 -2.69 3.54 4.64 -1.54 -3.35 113.55 115.66 3a4s h SER 70 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 3a4s h SER 70 Cb 0.94 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.95 3a4s h SER 70 CO 0.15 0.52 -0.59 -0.94 -0.87 0.00 0.00 176.83 175.10 3a4s s SER 71 N -6.58 5.29 0.59 4.97 1.04 -1.21 -4.88 113.70 112.92 3a4s s SER 71 Ca 0.00 -0.23 -0.10 0.00 0.48 0.00 0.00 55.95 56.11 3a4s s SER 71 Cb 0.11 -1.30 -0.04 0.00 0.10 0.00 0.00 66.02 64.88 3a4s s SER 71 CO 0.73 0.06 0.99 -2.84 0.98 0.00 0.00 173.24 173.16 3a4s s PRO 72 N -3.13 3.59 0.75 4.02 0.02 -1.26 -4.59 135.00 134.39 3a4s s PRO 72 Ca 0.30 0.65 -0.14 0.00 0.02 0.00 0.00 61.00 61.84 3a4s s PRO 72 Cb -0.10 -2.13 0.05 0.00 0.02 0.00 0.00 34.50 32.34 3a4s s PRO 72 CO 0.22 -0.50 1.16 -2.14 -0.33 0.00 0.00 177.00 175.40 3a4s s PRO 73 N -5.10 2.16 -0.37 5.54 0.02 -1.26 -4.79 135.00 131.20 3a4s s PRO 73 Ca 0.54 1.55 -0.11 0.00 0.02 0.00 0.00 61.00 62.99 3a4s s PRO 73 Cb -0.11 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.57 3a4s s PRO 73 CO 0.52 -1.78 0.21 0.21 -0.33 0.00 0.00 177.00 175.84 3a4s s LYS 74 N -4.21 2.95 -0.27 5.54 2.36 0.13 -4.94 119.74 121.30 3a4s s LYS 74 Ca 0.69 -1.00 -0.11 0.00 -2.55 0.00 0.00 55.97 53.00 3a4s s LYS 74 Cb -0.24 -3.75 -0.05 0.00 -1.05 0.00 0.00 37.83 32.74 3a4s s LYS 74 CO 0.48 -0.66 0.18 0.00 1.55 0.00 0.00 175.35 176.90 3a4s s LYS 76 N 1.69 2.64 0.04 0.00 -0.14 -0.85 -0.12 119.74 123.01 3a4s s LYS 76 Ca 0.07 -0.72 -0.26 0.00 -1.36 0.00 0.00 55.97 53.70 3a4s s LYS 76 Cb -0.16 -2.39 -0.05 0.00 -1.68 0.00 0.00 37.83 33.55 3a4s s LYS 76 CO 0.10 0.53 0.80 -0.06 -0.76 0.00 0.00 175.35 175.96 3a4s s PHE 77 N -0.50 3.73 -0.27 3.18 0.08 -0.07 -0.55 117.98 123.59 3a4s s PHE 77 Ca 0.07 1.52 0.01 0.00 0.12 0.00 0.00 56.93 58.65 3a4s s PHE 77 Cb -0.12 -2.87 0.07 0.00 -0.57 0.00 0.00 43.02 39.54 3a4s s PHE 77 CO 0.02 0.24 -0.02 -1.21 -0.10 0.00 0.00 175.22 174.14 3a4s s GLU 78 N 0.07 1.54 0.96 0.44 2.02 0.55 -2.03 118.70 122.24 3a4s s GLU 78 Ca 0.40 -1.22 -0.14 0.00 0.02 0.00 0.00 54.97 54.04 3a4s s GLU 78 Cb -0.21 -2.67 0.17 0.00 0.10 0.00 0.00 34.13 31.52 3a4s s GLU 78 CO 0.24 -0.72 1.16 -2.14 0.02 0.00 0.00 175.26 173.82 3a4s s PRO 79 N 1.29 0.74 0.35 0.39 0.02 -1.26 -4.26 135.00 132.27 3a4s s PRO 79 Ca -0.01 0.15 -0.28 0.00 0.02 0.00 0.00 61.00 60.88 3a4s s PRO 79 Cb -0.19 -1.81 -0.12 0.00 0.02 0.00 0.00 34.50 32.41 3a4s s PRO 79 CO -0.09 -2.44 1.33 -0.35 -0.33 0.00 0.00 177.00 175.12 3a4s n PRO 80 N -3.91 2.25 -2.95 5.54 -0.04 -0.86 -4.92 135.00 130.10 3a4s n PRO 80 Ca 0.09 0.79 -0.23 0.00 -0.04 0.00 0.00 63.50 64.10 3a4s n PRO 80 Cb 0.59 -2.40 0.01 0.00 -0.04 0.00 0.00 33.50 31.66 3a4s n PRO 80 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3a4s s LEU 81 N -1.23 3.64 -0.55 1.53 1.43 -1.26 -5.02 118.68 117.22 3a4s s LEU 81 Ca 0.55 0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 53.79 3a4s s LEU 81 Cb -0.55 -3.24 0.06 0.00 0.03 0.00 0.00 46.19 42.49 3a4s s LEU 81 CO 0.62 -0.69 0.81 0.12 0.23 0.00 0.00 176.35 177.44 3a4s s PHE 82 N -2.58 2.89 -0.29 0.29 2.19 -1.26 -4.91 117.98 114.31 3a4s s PHE 82 Ca 0.48 -0.37 -0.18 0.00 0.33 0.00 0.00 56.93 57.19 3a4s s PHE 82 Cb -0.10 -3.90 0.13 0.00 -1.31 0.00 0.00 43.02 37.84 3a4s s PHE 82 CO 0.39 -1.27 0.93 -1.58 1.83 0.00 0.00 175.22 175.52 3a4s s HIS 83 N 3.37 -0.64 0.56 10.12 2.46 -1.26 -4.96 115.29 124.94 3a4s s HIS 83 Ca 0.22 1.34 0.29 0.00 0.47 0.00 0.00 55.06 57.37 3a4s s HIS 83 Cb -0.17 0.40 1.47 0.00 -0.13 0.00 0.00 32.58 34.15 3a4s s HIS 83 CO 0.14 -0.31 1.93 -1.35 -2.47 0.00 0.00 174.74 172.67 3a4s h PRO 84 N 5.73 0.00 -0.58 2.88 0.11 -1.85 -1.06 132.00 137.23 3a4s h PRO 84 Ca -0.28 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 3a4s h PRO 84 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3a4s h PRO 84 CO 0.16 0.00 0.04 0.09 -0.21 0.00 0.00 178.00 178.08 3a4s n ASN 85 N -4.00 5.51 -3.94 -2.05 5.03 -1.26 0.74 115.26 115.27 3a4s n ASN 85 Ca 0.11 -2.99 -0.28 0.00 0.87 0.00 0.00 54.58 52.29 3a4s n ASN 85 Cb 0.71 -0.69 -0.17 0.00 -1.02 0.00 0.00 39.78 38.61 3a4s n ASN 85 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3a4s s VAL 86 N -2.82 1.24 0.92 2.41 1.01 -0.40 -0.96 120.40 121.80 3a4s s VAL 86 Ca 0.54 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 3a4s s VAL 86 Cb 0.42 -1.24 0.08 0.00 0.00 0.00 0.00 36.38 35.64 3a4s s VAL 86 CO 0.15 0.36 0.77 -1.22 0.00 0.00 0.00 175.10 175.16 3a4s n TYR 87 N 4.87 -0.30 0.27 5.22 4.01 -0.85 -4.04 117.16 126.35 3a4s n TYR 87 Ca -0.14 0.32 0.15 0.00 -0.16 0.00 0.00 57.90 58.07 3a4s n TYR 87 Cb 0.50 -1.90 0.88 0.00 -0.31 0.00 0.00 39.34 38.50 3a4s n TYR 87 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3a4s h PRO 88 N -1.59 0.00 0.00 -0.72 0.11 -1.91 -0.44 132.00 127.45 3a4s h PRO 88 Ca -0.44 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 3a4s h PRO 88 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3a4s h PRO 88 CO 0.38 0.00 -0.36 0.66 -0.21 0.00 0.00 178.00 178.47 3a4s h SER 89 N 0.00 0.00 0.00 -2.05 4.64 -1.98 -3.45 113.55 110.71 3a4s h SER 89 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3a4s h SER 89 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3a4s h SER 89 CO -0.00 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 3a4s n GLY 90 N -0.11 1.65 3.66 -0.77 0.00 -0.17 -4.70 105.19 104.75 3a4s n GLY 90 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 3a4s n GLY 90 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a4s n THR 91 N -0.37 0.83 -3.28 2.61 -1.04 -1.26 -0.89 114.28 110.89 3a4s n THR 91 Ca 0.00 -0.21 -0.39 0.00 -2.04 0.00 0.00 64.05 61.41 3a4s n THR 91 Cb 0.00 -1.41 -0.07 0.00 -1.82 0.00 0.00 70.33 67.02 3a4s n THR 91 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3a4s s VAL 92 N 0.04 5.11 -0.24 12.58 1.01 0.83 -2.00 120.40 137.72 3a4s s VAL 92 Ca 0.70 0.85 -0.20 0.00 0.00 0.00 0.00 61.98 63.33 3a4s s VAL 92 Cb -0.68 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 3a4s s VAL 92 CO 0.49 0.15 0.61 0.00 0.00 0.00 0.00 175.10 176.34 3a4s s LEU 94 N 2.28 -0.69 0.21 0.00 2.96 -1.26 -4.90 118.68 117.28 3a4s s LEU 94 Ca 0.26 1.22 -0.11 0.00 -0.22 0.00 0.00 54.13 55.28 3a4s s LEU 94 Cb -0.16 2.19 0.27 0.00 0.50 0.00 0.00 46.19 49.00 3a4s s LEU 94 CO 0.09 -0.20 1.68 0.28 -1.32 0.00 0.00 176.35 176.87 3a4s h SER 95 N 5.48 -0.19 0.29 3.68 0.02 -1.95 0.17 113.55 121.06 3a4s h SER 95 Ca -0.29 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 3a4s h SER 95 Cb 1.19 0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.95 3a4s h SER 95 CO 0.12 -0.07 -0.04 0.16 -1.14 0.00 0.00 176.83 175.85 3a4s h ILE 96 N 0.15 0.26 -0.33 3.27 3.07 -1.96 -0.53 117.51 121.44 3a4s h ILE 96 Ca 0.31 -0.26 -0.01 0.00 1.55 0.00 0.00 64.86 66.45 3a4s h ILE 96 Cb 0.48 1.20 -0.01 0.00 -0.27 0.00 0.00 36.82 38.22 3a4s h ILE 96 CO -0.47 0.04 0.01 0.18 -1.05 0.00 0.00 178.15 176.86 3a4s n LEU 97 N -3.37 3.72 -4.00 0.16 4.32 0.60 -3.14 117.00 115.29 3a4s n LEU 97 Ca -0.02 -1.89 -0.31 0.00 -0.02 0.00 0.00 56.01 53.77 3a4s n LEU 97 Cb 0.17 -0.61 -0.16 0.00 -1.62 0.00 0.00 43.42 41.20 3a4s n LEU 97 CO 0.25 0.47 -0.45 -1.61 -1.22 0.00 0.00 177.39 174.84 3a4s s GLU 98 N -1.99 1.98 0.19 3.23 2.02 -0.23 -4.81 118.70 119.09 3a4s s GLU 98 Ca 0.31 -1.01 -0.21 0.00 0.02 0.00 0.00 54.97 54.07 3a4s s GLU 98 Cb 0.24 -2.59 0.12 0.00 0.10 0.00 0.00 34.13 31.99 3a4s s GLU 98 CO 0.09 -0.51 1.58 1.49 0.02 0.00 0.00 175.26 177.93 3a4s h GLU 99 N 7.92 -0.15 -0.68 1.61 4.81 -1.85 0.07 114.58 126.31 3a4s h GLU 99 Ca -0.23 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3a4s h GLU 99 Cb 1.08 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3a4s h GLU 99 CO 0.46 -0.10 0.00 -0.40 -0.73 0.00 0.00 179.01 178.24 3a4s n ASP 100 N -5.43 1.61 0.00 1.04 5.68 -1.26 -4.33 116.55 113.86 3a4s n ASP 100 Ca 0.04 -2.13 0.00 0.00 -0.50 0.00 0.00 54.79 52.20 3a4s n ASP 100 Cb 0.36 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 3a4s n ASP 100 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3a4s n LYS 101 N 0.07 0.00 -0.02 0.11 5.02 -0.02 -5.01 118.16 118.31 3a4s n LYS 101 Ca 0.06 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.47 3a4s n LYS 101 Cb 0.35 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.55 3a4s n LYS 101 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3a4s n ASP 102 N 0.00 2.74 -4.69 4.39 8.00 -1.05 -4.92 116.55 121.02 3a4s n ASP 102 Ca 0.00 -1.90 -0.42 0.00 0.71 0.00 0.00 54.79 53.18 3a4s n ASP 102 Cb 0.00 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.04 3a4s n ASP 102 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3a4s s TRP 103 N -1.94 2.54 -0.06 1.24 -0.11 -1.03 -4.49 118.94 115.08 3a4s s TRP 103 Ca 0.31 0.42 0.05 0.00 1.22 0.00 0.00 56.10 58.10 3a4s s TRP 103 Cb 0.20 -3.92 -0.02 0.00 -1.50 0.00 0.00 33.47 28.24 3a4s s TRP 103 CO 0.31 -3.63 -0.22 1.03 -4.62 0.00 0.00 176.95 169.82 3a4s s ARG 104 N 2.48 2.53 0.60 5.86 0.52 -1.26 -4.89 118.95 124.79 3a4s s ARG 104 Ca 0.72 -0.85 0.29 0.00 -0.52 0.00 0.00 55.73 55.37 3a4s s ARG 104 Cb -0.39 -2.22 1.60 0.00 0.52 0.00 0.00 34.95 34.46 3a4s s ARG 104 CO 0.31 0.45 2.01 -1.35 0.02 0.00 0.00 175.30 176.74 3a4s h PRO 105 N 5.88 0.00 0.00 3.54 0.11 -1.90 -0.63 132.00 138.99 3a4s h PRO 105 Ca -0.36 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 3a4s h PRO 105 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3a4s h PRO 105 CO 0.48 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.25 3a4s h ALA 106 N 1.62 0.99 -1.98 -0.75 0.00 -1.95 -3.46 119.26 113.73 3a4s h ALA 106 Ca 0.13 -0.02 -0.63 0.00 0.00 0.00 0.00 54.91 54.38 3a4s h ALA 106 Cb 0.76 -0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.58 3a4s h ALA 106 CO -0.00 0.03 0.87 -0.89 0.00 0.00 0.00 179.25 179.25 3a4s n ILE 107 N -3.11 0.26 -2.48 0.00 5.41 -0.25 -4.96 119.36 114.23 3a4s n ILE 107 Ca 0.03 -0.05 -0.25 0.00 1.00 0.00 0.00 62.75 63.48 3a4s n ILE 107 Cb 0.48 -1.50 0.03 0.00 -0.71 0.00 0.00 39.64 37.95 3a4s n ILE 107 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3a4s s THR 108 N 2.39 3.39 0.13 1.39 -4.23 -1.26 -4.94 115.64 112.51 3a4s s THR 108 Ca 0.88 -0.19 -0.14 0.00 -1.18 0.00 0.00 61.69 61.06 3a4s s THR 108 Cb -0.79 -3.34 -0.00 0.00 1.34 0.00 0.00 72.50 69.71 3a4s s THR 108 CO 0.49 -0.32 1.58 0.40 -0.54 0.00 0.00 174.62 176.23 3a4s h ILE 109 N -0.13 1.26 -0.29 2.99 2.04 -1.93 -0.73 117.51 120.72 3a4s h ILE 109 Ca -0.45 -1.03 0.07 0.00 1.00 0.00 0.00 64.86 64.44 3a4s h ILE 109 Cb 1.27 1.06 -0.07 0.00 -0.74 0.00 0.00 36.82 38.34 3a4s h ILE 109 CO 0.59 0.35 -0.16 0.50 0.00 0.00 0.00 178.15 179.43 3a4s h LYS 110 N 0.61 -0.12 -0.50 2.37 3.64 -1.95 0.12 116.57 120.74 3a4s h LYS 110 Ca 0.12 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.60 3a4s h LYS 110 Cb 0.49 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.27 3a4s h LYS 110 CO 0.02 -0.08 0.10 1.96 -2.27 0.00 0.00 179.45 179.18 3a4s h GLN 111 N -0.13 0.23 0.35 1.90 4.20 -1.84 0.30 115.11 120.13 3a4s h GLN 111 Ca 0.15 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 3a4s h GLN 111 Cb 0.36 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 3a4s h GLN 111 CO -0.37 0.15 -0.21 0.82 -0.67 0.00 0.00 178.83 178.55 3a4s h ILE 112 N 0.24 0.56 -0.15 2.54 2.04 -0.36 0.29 117.51 122.68 3a4s h ILE 112 Ca 0.25 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.10 3a4s h ILE 112 Cb 0.33 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3a4s h ILE 112 CO -0.32 0.00 0.03 -0.07 0.00 0.00 0.00 178.15 177.78 3a4s h LEU 113 N -0.54 0.18 -0.07 1.44 3.38 -0.29 0.03 115.31 119.44 3a4s h LEU 113 Ca -0.04 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 3a4s h LEU 113 Cb 0.44 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.15 3a4s h LEU 113 CO 0.04 0.20 -0.39 -0.07 0.09 0.00 0.00 178.44 178.31 3a4s h LEU 114 N 0.20 0.47 -1.08 1.67 3.38 -0.10 -1.92 115.31 117.92 3a4s h LEU 114 Ca 0.05 -0.66 0.10 0.00 0.09 0.00 0.00 57.88 57.46 3a4s h LEU 114 Cb 0.10 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 3a4s h LEU 114 CO -0.00 1.05 0.62 1.23 0.09 0.00 0.00 178.44 181.43 3a4s h GLY 115 N -0.08 1.49 1.64 0.83 0.00 0.13 -1.65 103.07 105.43 3a4s h GLY 115 Ca -0.03 -0.41 -0.15 0.00 0.00 0.00 0.00 47.33 46.73 3a4s h GLY 115 CO 0.08 0.21 -0.59 -2.22 0.00 0.00 0.00 176.54 174.02 3a4s h ILE 116 N 0.99 1.36 -0.25 2.60 2.04 -0.97 -2.54 117.51 120.74 3a4s h ILE 116 Ca 0.46 -1.91 -0.03 0.00 1.00 0.00 0.00 64.86 64.37 3a4s h ILE 116 Cb 0.41 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 3a4s h ILE 116 CO -0.21 0.58 0.04 -0.61 0.00 0.00 0.00 178.15 177.94 3a4s h GLN 117 N 0.28 0.42 0.00 2.37 4.15 -0.64 -2.73 115.11 118.97 3a4s h GLN 117 Ca -0.00 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.28 3a4s h GLN 117 Cb 1.12 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.75 3a4s h GLN 117 CO 0.10 0.55 -0.11 1.49 -1.93 0.00 0.00 178.83 178.93 3a4s h GLU 118 N 0.23 0.00 0.00 1.69 4.57 -1.28 -1.04 114.58 118.75 3a4s h GLU 118 Ca 0.08 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 3a4s h GLU 118 Cb 0.33 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3a4s h GLU 118 CO 0.01 0.11 -0.24 1.25 -1.18 0.00 0.00 179.01 178.95 3a4s h LEU 119 N 0.00 0.00 0.23 1.64 5.85 -1.15 -3.03 115.31 118.85 3a4s h LEU 119 Ca -0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3a4s h LEU 119 Cb 0.21 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3a4s h LEU 119 CO 0.01 0.24 -0.30 -0.07 -0.34 0.00 0.00 178.44 177.99 3a4s h LEU 120 N 0.00 -0.82 -1.40 2.25 -0.00 -1.00 -3.10 115.31 111.24 3a4s h LEU 120 Ca -0.00 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 3a4s h LEU 120 Cb 0.69 0.29 0.00 0.00 -0.00 0.00 0.00 40.66 41.65 3a4s h LEU 120 CO 0.03 -0.41 -0.07 -3.20 -0.00 0.00 0.00 178.44 174.79 3a4s n ASN 121 N -5.41 2.24 -3.35 -0.43 5.15 -1.24 -4.38 115.26 107.83 3a4s n ASN 121 Ca -0.08 -1.70 -0.26 0.00 -0.60 0.00 0.00 54.58 51.94 3a4s n ASN 121 Cb 0.32 0.06 -0.08 0.00 -0.53 0.00 0.00 39.78 39.55 3a4s n ASN 121 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3a4s n GLU 122 N 0.66 1.87 -1.61 1.20 1.02 -1.14 -5.10 120.64 117.53 3a4s n GLU 122 Ca 0.15 -4.16 -0.40 0.00 -0.02 0.00 0.00 57.16 52.74 3a4s n GLU 122 Cb 0.48 -1.90 0.03 0.00 -0.02 0.00 0.00 31.44 30.04 3a4s n GLU 122 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3a4s n PRO 123 N 1.09 1.16 -3.23 3.49 -0.02 -1.23 -4.68 135.00 131.59 3a4s n PRO 123 Ca 0.27 0.43 -0.46 0.00 -2.02 0.00 0.00 63.50 61.72 3a4s n PRO 123 Cb 0.45 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 3a4s n PRO 123 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3a4s s ASN 124 N -0.96 6.51 0.13 2.55 2.47 -1.26 -4.88 114.94 119.50 3a4s s ASN 124 Ca 0.68 -2.17 0.20 0.00 0.42 0.00 0.00 52.86 51.99 3a4s s ASN 124 Cb -0.48 -2.25 0.82 0.00 -1.45 0.00 0.00 41.25 37.88 3a4s s ASN 124 CO 0.53 -0.80 1.61 -0.38 -3.72 0.00 0.00 177.10 174.33 3a4s n ILE 125 N 4.75 0.87 0.28 -5.21 2.08 -1.26 -1.75 119.36 119.12 3a4s n ILE 125 Ca 0.05 0.22 0.12 0.00 0.56 0.00 0.00 62.75 63.69 3a4s n ILE 125 Cb 0.45 -1.05 0.18 0.00 -0.75 0.00 0.00 39.64 38.47 3a4s n ILE 125 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 3a4s h GLN 126 N 0.00 0.00 -1.84 0.38 4.20 -2.02 -3.37 115.11 112.46 3a4s h GLN 126 Ca 0.00 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.22 3a4s h GLN 126 Cb 0.33 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.70 3a4s h GLN 126 CO 0.00 0.00 -1.07 -3.47 -0.67 0.00 0.00 178.83 173.62 3a4s n ASP 127 N -2.87 1.87 -4.75 1.46 2.03 -0.72 -5.11 116.55 108.47 3a4s n ASP 127 Ca 0.04 -3.13 -0.41 0.00 0.52 0.00 0.00 54.79 51.81 3a4s n ASP 127 Cb 0.51 -0.58 -0.03 0.00 -0.72 0.00 0.00 41.12 40.31 3a4s n ASP 127 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3a4s s PRO 128 N -2.82 4.35 -0.23 -0.67 0.02 -1.23 -4.81 135.00 129.60 3a4s s PRO 128 Ca 0.40 2.16 0.03 0.00 0.02 0.00 0.00 61.00 63.61 3a4s s PRO 128 Cb 0.36 -3.14 -0.16 0.00 0.02 0.00 0.00 34.50 31.58 3a4s s PRO 128 CO -0.08 -0.29 -0.18 0.00 -0.33 0.00 0.00 177.00 176.12 3a4s n ALA 129 N 2.20 1.50 -2.67 -1.55 0.00 0.23 -4.96 120.51 115.25 3a4s n ALA 129 Ca 0.05 -1.02 -0.37 0.00 0.00 0.00 0.00 53.44 52.11 3a4s n ALA 129 Cb 0.42 -0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.72 3a4s n ALA 129 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3a4s s GLN 130 N -2.47 4.03 0.10 0.00 0.74 -0.38 -4.70 119.66 116.98 3a4s s GLN 130 Ca -0.29 -0.29 -0.17 0.00 0.05 0.00 0.00 55.36 54.65 3a4s s GLN 130 Cb 0.08 -3.53 -0.05 0.00 1.10 0.00 0.00 33.01 30.60 3a4s s GLN 130 CO 0.56 0.02 1.57 0.00 -0.55 0.00 0.00 175.29 176.89 3a4s h ALA 131 N 7.65 0.41 -0.68 1.58 0.00 -1.92 -2.75 119.26 123.55 3a4s h ALA 131 Ca -0.37 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3a4s h ALA 131 Cb 1.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3a4s h ALA 131 CO 0.64 0.12 0.00 -1.91 0.00 0.00 0.00 179.25 178.09 3a4s n GLU 132 N -4.61 0.00 -0.34 0.00 2.13 -1.26 -0.29 120.64 116.27 3a4s n GLU 132 Ca -0.02 0.49 0.15 0.00 0.66 0.00 0.00 57.16 58.44 3a4s n GLU 132 Cb 0.22 -1.39 0.35 0.00 0.27 0.00 0.00 31.44 30.90 3a4s n GLU 132 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3a4s h ALA 133 N -1.84 1.69 0.41 4.31 0.00 -1.89 -0.39 119.26 121.55 3a4s h ALA 133 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3a4s h ALA 133 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3a4s h ALA 133 CO 0.00 -0.20 -0.20 -0.92 0.00 0.00 0.00 179.25 177.94 3a4s h TYR 134 N 0.62 -0.51 -0.05 0.00 3.20 -1.40 0.27 116.97 119.11 3a4s h TYR 134 Ca 0.61 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.50 3a4s h TYR 134 Cb 1.08 0.17 -0.05 0.00 1.54 0.00 0.00 36.73 39.46 3a4s h TYR 134 CO -0.02 -0.21 -0.30 1.15 -1.64 0.00 0.00 178.16 177.13 3a4s h THR 135 N -0.75 0.33 -0.80 1.81 2.02 0.38 0.32 112.91 116.22 3a4s h THR 135 Ca -0.06 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.21 3a4s h THR 135 Cb 0.52 0.33 -0.07 0.00 -1.74 0.00 0.00 68.15 67.19 3a4s h THR 135 CO 0.09 0.00 0.45 0.40 0.37 0.00 0.00 175.52 176.83 3a4s h ILE 136 N -0.42 0.92 -0.08 3.11 2.04 -1.12 -0.46 117.51 121.50 3a4s h ILE 136 Ca 0.07 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 3a4s h ILE 136 Cb 0.53 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3a4s h ILE 136 CO -0.28 0.14 -0.10 0.22 0.00 0.00 0.00 178.15 178.12 3a4s h TYR 137 N 0.77 0.12 0.00 1.37 3.20 -0.09 0.18 116.97 122.53 3a4s h TYR 137 Ca 0.38 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.20 3a4s h TYR 137 Cb 0.33 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3a4s h TYR 137 CO -0.07 0.23 -0.99 0.00 -1.64 0.00 0.00 178.16 175.69 3a4s n GLN 139 N -2.78 3.46 -2.82 0.00 10.64 -0.33 -4.90 117.38 120.65 3a4s n GLN 139 Ca -0.02 -0.16 -0.03 0.00 -1.83 0.00 0.00 57.00 54.96 3a4s n GLN 139 Cb 0.62 -0.62 0.01 0.00 -0.86 0.00 0.00 30.24 29.38 3a4s n GLN 139 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 3a4s s ASN 140 N -0.54 -1.39 0.56 2.61 3.84 0.61 -5.02 114.94 115.61 3a4s s ASN 140 Ca 0.00 -1.50 0.24 0.00 0.21 0.00 0.00 52.86 51.81 3a4s s ASN 140 Cb 0.00 1.81 1.59 0.00 -0.55 0.00 0.00 41.25 44.11 3a4s s ASN 140 CO 0.00 -0.07 2.21 -0.09 -2.79 0.00 0.00 177.10 176.36 3a4s h ARG 141 N 5.26 0.00 -0.18 0.43 9.65 -1.72 -2.03 114.38 125.80 3a4s h ARG 141 Ca 0.05 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.81 3a4s h ARG 141 Cb 1.12 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 3a4s h ARG 141 CO 0.02 0.01 -0.39 0.28 2.80 0.00 0.00 179.97 182.69 3a4s h VAL 142 N 0.00 1.34 0.00 0.20 2.07 -1.94 -1.02 116.25 116.90 3a4s h VAL 142 Ca -0.00 -1.63 -0.03 0.00 0.82 0.00 0.00 66.70 65.85 3a4s h VAL 142 Cb 0.02 1.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3a4s h VAL 142 CO 0.00 0.50 -0.16 -0.08 0.02 0.00 0.00 177.57 177.85 3a4s h GLU 143 N 0.24 0.00 -0.02 1.57 4.22 -1.72 -0.35 114.58 118.52 3a4s h GLU 143 Ca 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.39 3a4s h GLU 143 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3a4s h GLU 143 CO 0.09 0.16 -0.20 -0.92 -2.18 0.00 0.00 179.01 175.96 3a4s h TYR 144 N 0.00 0.24 -0.26 0.92 3.20 -1.19 -1.83 116.97 118.04 3a4s h TYR 144 Ca -0.00 -0.11 -0.06 0.00 3.14 0.00 0.00 58.73 61.69 3a4s h TYR 144 Cb 0.33 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3a4s h TYR 144 CO 0.00 0.86 -0.12 0.93 -1.64 0.00 0.00 178.16 178.19 3a4s h GLU 145 N -0.46 0.43 -0.42 1.82 5.08 -0.98 -1.14 114.58 118.91 3a4s h GLU 145 Ca -0.02 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 3a4s h GLU 145 Cb 0.90 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 3a4s h GLU 145 CO 0.04 0.55 0.02 -0.22 -1.00 0.00 0.00 179.01 178.40 3a4s h LYS 146 N 0.40 0.74 -0.17 2.33 3.64 -1.08 -1.48 116.57 120.95 3a4s h LYS 146 Ca 0.08 -0.23 -0.08 0.00 -1.27 0.00 0.00 60.65 59.15 3a4s h LYS 146 Cb 0.45 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3a4s h LYS 146 CO 0.03 0.80 -0.25 0.00 -2.27 0.00 0.00 179.45 177.76 3a4s h ARG 147 N 0.58 0.31 -0.49 1.90 3.08 -0.99 -2.22 114.38 116.55 3a4s h ARG 147 Ca 0.12 -0.10 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 3a4s h ARG 147 Cb 0.46 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3a4s h ARG 147 CO 0.02 0.54 -0.15 0.28 -1.07 0.00 0.00 179.97 179.59 3a4s h VAL 148 N 0.28 1.27 -0.11 2.04 2.07 -0.91 -2.26 116.25 118.63 3a4s h VAL 148 Ca 0.04 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 3a4s h VAL 148 Cb 0.60 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3a4s h VAL 148 CO 0.04 0.45 0.04 0.03 0.02 0.00 0.00 177.57 178.16 3a4s h ARG 149 N 0.83 0.16 0.24 1.57 2.47 -1.06 -0.20 114.38 118.39 3a4s h ARG 149 Ca 0.12 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 3a4s h ARG 149 Cb 0.72 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.98 3a4s h ARG 149 CO 0.06 0.27 -0.52 0.00 0.56 0.00 0.00 179.97 180.34 3a4s h ALA 150 N 0.88 -1.05 -0.50 0.04 0.00 -1.38 -0.25 119.26 116.99 3a4s h ALA 150 Ca 0.04 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.91 3a4s h ALA 150 Cb 0.17 0.85 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 3a4s h ALA 150 CO -0.00 -1.15 0.01 0.37 0.00 0.00 0.00 179.25 178.48 3a4s h GLN 151 N -0.83 0.12 -0.56 0.00 4.15 -1.38 0.35 115.11 116.96 3a4s h GLN 151 Ca -0.02 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.45 3a4s h GLN 151 Cb 0.79 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.40 3a4s h GLN 151 CO -0.22 0.08 0.27 0.00 -1.93 0.00 0.00 178.83 177.03 3a4s h ALA 152 N 1.45 0.73 -0.25 3.38 0.00 -0.61 0.22 119.26 124.18 3a4s h ALA 152 Ca 0.26 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 3a4s h ALA 152 Cb 0.38 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3a4s h ALA 152 CO -0.41 -0.10 -0.17 -0.22 0.00 0.00 0.00 179.25 178.35 3a4s h LYS 153 N 0.50 0.55 -0.80 0.00 3.11 -0.17 -2.76 116.57 117.02 3a4s h LYS 153 Ca 0.26 -0.26 0.05 0.00 -2.81 0.00 0.00 60.65 57.89 3a4s h LYS 153 Cb 0.22 -0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.39 3a4s h LYS 153 CO -0.21 0.84 0.52 -0.22 -2.81 0.00 0.00 179.45 177.57 3a4s h LYS 154 N 0.27 0.88 -0.66 1.90 3.64 0.28 -1.51 116.57 121.38 3a4s h LYS 154 Ca 0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3a4s h LYS 154 Cb 0.70 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3a4s h LYS 154 CO 0.05 0.58 0.00 1.19 -2.27 0.00 0.00 179.45 179.00 3a4s n PHE 155 N -4.47 1.25 -2.55 1.91 3.72 0.73 -4.91 117.46 113.13 3a4s n PHE 155 Ca 0.11 -0.46 -0.35 0.00 -0.05 0.00 0.00 57.45 56.70 3a4s n PHE 155 Cb 0.18 -0.28 -0.04 0.00 -0.94 0.00 0.00 39.48 38.40 3a4s n PHE 155 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3a4s s ALA 156 N -1.98 2.97 1.10 4.37 0.00 -0.57 -1.65 121.76 126.01 3a4s s ALA 156 Ca 0.37 0.64 -0.13 0.00 0.00 0.00 0.00 51.96 52.84 3a4s s ALA 156 Cb 0.26 -3.26 0.25 0.00 0.00 0.00 0.00 23.12 20.37 3a4s s ALA 156 CO 0.15 -0.25 1.06 -2.14 0.00 0.00 0.00 175.76 174.57 3a4s s PRO 157 N -2.90 -0.43 0.00 0.00 0.02 -1.26 -4.93 135.00 125.49 3a4s s PRO 157 Ca 0.63 0.59 0.00 0.00 0.02 0.00 0.00 61.00 62.23 3a4s s PRO 157 Cb -0.19 -1.63 0.00 0.00 0.02 0.00 0.00 34.50 32.70 3a4s s PRO 157 CO 0.23 -3.33 0.00 0.43 -0.33 0.00 0.00 177.00 174.00