#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a7s s TRP 8 N 0.00 3.14 0.48 -0.32 0.52 -1.26 -5.00 118.94 116.50 3a7s s TRP 8 Ca 0.00 -0.21 -0.14 0.00 0.02 0.00 0.00 56.10 55.78 3a7s s TRP 8 Cb 0.00 -2.15 -0.07 0.00 -1.15 0.00 0.00 33.47 30.10 3a7s s TRP 8 CO 0.00 -0.13 0.90 0.00 0.02 0.00 0.00 176.95 177.74 3a7s s LEU 10 N -4.05 4.50 -0.03 0.00 0.20 -1.26 -4.84 118.68 113.20 3a7s s LEU 10 Ca 0.55 1.94 0.00 0.00 0.69 0.00 0.00 54.13 57.32 3a7s s LEU 10 Cb -0.10 -3.60 -0.04 0.00 -0.43 0.00 0.00 46.19 42.03 3a7s s LEU 10 CO 0.33 -0.13 0.01 -0.32 -0.29 0.00 0.00 176.35 175.94 3a7s s MET 11 N -0.20 2.88 0.17 1.98 -2.45 -1.26 -4.75 119.30 115.66 3a7s s MET 11 Ca 0.48 -0.53 -0.30 0.00 -1.25 0.00 0.00 55.69 54.09 3a7s s MET 11 Cb -0.26 -2.73 -0.07 0.00 1.25 0.00 0.00 34.83 33.01 3a7s s MET 11 CO 0.32 0.65 1.13 -2.00 1.05 0.00 0.00 175.02 176.18 3a7s s GLU 12 N -1.34 4.55 -1.07 4.11 2.12 -1.26 -4.93 118.70 120.87 3a7s s GLU 12 Ca 0.18 1.76 -0.22 0.00 0.36 0.00 0.00 54.97 57.05 3a7s s GLU 12 Cb -0.11 -3.28 0.04 0.00 0.26 0.00 0.00 34.13 31.04 3a7s s GLU 12 CO 0.08 -0.00 1.56 -1.12 -0.54 0.00 0.00 175.26 175.23 3a7s s SER 13 N 0.09 6.42 0.01 -1.70 0.01 -1.26 -4.77 113.70 112.49 3a7s s SER 13 Ca 0.51 -1.59 0.02 0.00 1.31 0.00 0.00 55.95 56.20 3a7s s SER 13 Cb -0.30 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.35 3a7s s SER 13 CO 0.35 -1.58 -0.06 -0.62 0.41 0.00 0.00 173.24 171.74 3a7s s ASP 14 N 5.11 0.68 0.21 2.44 2.15 -1.26 -5.04 116.67 120.96 3a7s s ASP 14 Ca 0.50 -0.19 -0.10 0.00 0.43 0.00 0.00 52.55 53.19 3a7s s ASP 14 Cb 0.00 -0.05 0.19 0.00 -0.30 0.00 0.00 42.92 42.76 3a7s s ASP 14 CO -0.05 0.01 1.84 -0.65 -0.17 0.00 0.00 175.17 176.15 3a7s h PRO 15 N 5.71 0.81 -0.47 4.34 0.11 -1.91 -1.38 132.00 139.20 3a7s h PRO 15 Ca -0.30 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.78 3a7s h PRO 15 Cb 1.19 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 3a7s h PRO 15 CO 0.48 0.53 0.30 0.78 -0.21 0.00 0.00 178.00 179.88 3a7s h GLY 16 N 0.83 0.67 1.05 -0.55 0.00 -1.97 -0.34 103.07 102.77 3a7s h GLY 16 Ca 0.28 -0.23 -0.12 0.00 0.00 0.00 0.00 47.33 47.26 3a7s h GLY 16 CO -0.11 0.21 -0.24 -2.08 0.00 0.00 0.00 176.54 174.32 3a7s h VAL 17 N 0.60 1.28 -0.35 4.60 2.07 -1.81 -1.73 116.25 120.90 3a7s h VAL 17 Ca 0.18 -1.39 -0.08 0.00 0.82 0.00 0.00 66.70 66.24 3a7s h VAL 17 Cb -0.02 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3a7s h VAL 17 CO -0.07 0.47 -0.11 -0.26 0.02 0.00 0.00 177.57 177.62 3a7s h PHE 18 N 0.68 0.66 -0.20 1.57 0.04 -1.00 0.34 116.94 119.03 3a7s h PHE 18 Ca 0.08 -0.11 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 3a7s h PHE 18 Cb 0.81 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 3a7s h PHE 18 CO 0.06 0.70 0.02 1.15 -0.60 0.00 0.00 178.31 179.64 3a7s h THR 19 N 0.56 1.23 -0.57 -1.55 2.02 -1.00 0.68 112.91 114.28 3a7s h THR 19 Ca 0.10 -0.77 0.06 0.00 0.77 0.00 0.00 66.41 66.57 3a7s h THR 19 Cb 0.52 1.36 -0.05 0.00 -1.74 0.00 0.00 68.15 68.23 3a7s h THR 19 CO 0.03 0.24 0.28 -0.33 0.37 0.00 0.00 175.52 176.11 3a7s h GLU 20 N 0.12 0.51 0.07 6.66 5.08 -0.68 -1.59 114.58 124.76 3a7s h GLU 20 Ca 0.06 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3a7s h GLU 20 Cb 0.33 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3a7s h GLU 20 CO 0.01 0.34 -0.05 1.25 -1.00 0.00 0.00 179.01 179.55 3a7s h LEU 21 N 0.53 -0.13 -0.10 1.33 7.12 -0.04 -0.78 115.31 123.23 3a7s h LEU 21 Ca 0.26 0.01 0.03 0.00 0.13 0.00 0.00 57.88 58.31 3a7s h LEU 21 Cb 0.21 0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.36 3a7s h LEU 21 CO -0.20 -0.08 -0.05 0.40 -0.13 0.00 0.00 178.44 178.38 3a7s h ILE 22 N -0.12 0.83 0.00 4.05 2.04 -0.30 -1.60 117.51 122.41 3a7s h ILE 22 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3a7s h ILE 22 Cb 0.11 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3a7s h ILE 22 CO -0.00 0.00 -0.00 0.11 0.00 0.00 0.00 178.15 178.26 3a7s h LYS 23 N -0.04 0.00 0.00 2.37 1.57 -1.29 -2.03 116.57 117.14 3a7s h LYS 23 Ca 0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3a7s h LYS 23 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 3a7s h LYS 23 CO -0.13 0.00 -0.01 0.78 -0.57 0.00 0.00 179.45 179.52 3a7s h GLY 24 N 1.39 0.00 -0.35 3.86 0.00 -0.14 -2.50 103.07 105.33 3a7s h GLY 24 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a7s h GLY 24 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.23 3a7s n PHE 25 N -3.10 0.06 -0.75 5.60 3.72 -0.78 -4.89 117.46 117.32 3a7s n PHE 25 Ca 0.02 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3a7s n PHE 25 Cb 0.40 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 3a7s n PHE 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a7s n GLY 26 N 1.12 0.78 3.72 1.37 0.00 -0.94 -4.27 105.19 106.98 3a7s n GLY 26 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3a7s n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a7s s ARG 28 N 0.48 1.36 0.00 0.00 0.52 0.90 -4.16 118.95 118.06 3a7s s ARG 28 Ca 0.51 -1.33 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 3a7s s ARG 28 Cb -0.25 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.40 3a7s s ARG 28 CO 0.30 0.43 0.00 0.41 0.02 0.00 0.00 175.30 176.46 3a7s n GLY 29 N 0.92 0.79 3.28 -3.53 0.00 -1.26 -1.05 105.19 104.34 3a7s n GLY 29 Ca -0.18 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 3a7s n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a7s s ALA 30 N -2.00 -1.04 0.38 4.61 0.00 -1.26 -3.38 121.76 119.07 3a7s s ALA 30 Ca 0.00 1.45 0.04 0.00 0.00 0.00 0.00 51.96 53.46 3a7s s ALA 30 Cb 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 3a7s s ALA 30 CO 0.00 -0.25 0.16 1.14 0.00 0.00 0.00 175.76 176.81 3a7s s GLN 31 N 1.16 1.86 -0.16 0.00 -2.07 -0.05 -4.74 119.66 115.65 3a7s s GLN 31 Ca -0.08 -2.12 0.01 0.00 -1.82 0.00 0.00 55.36 51.36 3a7s s GLN 31 Cb -0.07 -0.39 0.01 0.00 -1.09 0.00 0.00 33.01 31.47 3a7s s GLN 31 CO -0.10 -0.50 -0.18 0.08 -1.32 0.00 0.00 175.29 173.26 3a7s s VAL 32 N -3.30 2.30 -0.08 3.63 1.01 -1.26 -1.05 120.40 121.65 3a7s s VAL 32 Ca 0.28 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 3a7s s VAL 32 Cb 0.03 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 3a7s s VAL 32 CO 0.17 0.53 -0.03 -0.70 0.00 0.00 0.00 175.10 175.07 3a7s s GLU 33 N 1.02 2.91 -0.08 2.72 2.56 0.66 -4.66 118.70 123.83 3a7s s GLU 33 Ca -0.02 -0.48 -0.22 0.00 0.00 0.00 0.00 54.97 54.25 3a7s s GLU 33 Cb -0.15 -2.71 -0.04 0.00 2.00 0.00 0.00 34.13 33.24 3a7s s GLU 33 CO -0.05 0.66 0.66 -2.00 -0.56 0.00 0.00 175.26 173.96 3a7s s GLU 34 N -0.77 4.41 -0.10 4.30 2.12 -1.26 -0.45 118.70 126.95 3a7s s GLU 34 Ca 0.12 0.79 -0.11 0.00 0.36 0.00 0.00 54.97 56.13 3a7s s GLU 34 Cb -0.11 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.78 3a7s s GLU 34 CO 0.02 0.08 0.25 0.42 -0.54 0.00 0.00 175.26 175.49 3a7s s ILE 35 N 0.79 5.32 0.00 -3.70 -1.09 0.12 -4.93 121.20 117.70 3a7s s ILE 35 Ca 0.35 0.47 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 3a7s s ILE 35 Cb -0.17 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.16 3a7s s ILE 35 CO 0.16 0.54 0.26 0.79 -1.23 0.00 0.00 174.94 175.46 3a7s n TRP 36 N 2.45 0.00 -3.73 3.97 8.01 -1.26 -4.39 117.44 122.49 3a7s n TRP 36 Ca -0.16 -0.03 -0.14 0.00 -1.31 0.00 0.00 57.50 55.87 3a7s n TRP 36 Cb 0.53 -0.00 -0.14 0.00 -2.01 0.00 0.00 31.31 29.69 3a7s n TRP 36 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 3a7s s SER 37 N -0.05 0.03 0.00 -0.99 0.15 -1.26 -5.01 113.70 106.57 3a7s s SER 37 Ca 0.00 0.36 0.29 0.00 0.70 0.00 0.00 55.95 57.30 3a7s s SER 37 Cb 0.00 0.27 1.29 0.00 -1.71 0.00 0.00 66.02 65.86 3a7s s SER 37 CO 0.00 -0.17 1.90 0.18 1.20 0.00 0.00 173.24 176.35 3a7s n LEU 38 N 4.45 0.31 -4.66 3.45 4.77 -1.26 -4.78 117.00 119.28 3a7s n LEU 38 Ca -0.22 0.11 -0.48 0.00 -0.03 0.00 0.00 56.01 55.39 3a7s n LEU 38 Cb 0.51 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.33 3a7s n LEU 38 CO 0.14 0.06 1.53 1.21 -1.33 0.00 0.00 177.39 179.00 3a7s n GLU 39 N -1.10 2.10 -0.16 3.23 4.07 -1.26 -4.80 120.64 122.72 3a7s n GLU 39 Ca 0.14 0.75 0.29 0.00 -0.06 0.00 0.00 57.16 58.28 3a7s n GLU 39 Cb 0.27 -2.66 0.72 0.00 -0.06 0.00 0.00 31.44 29.70 3a7s n GLU 39 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 3a7s h PRO 40 N 9.74 0.00 -0.26 5.31 0.11 -2.00 0.59 132.00 145.49 3a7s h PRO 40 Ca -0.47 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 3a7s h PRO 40 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3a7s h PRO 40 CO 0.95 0.00 -0.14 0.93 -0.21 0.00 0.00 178.00 179.53 3a7s h GLU 41 N 0.00 0.56 -0.05 1.05 4.39 -1.97 -1.84 114.58 116.73 3a7s h GLU 41 Ca 0.42 -0.25 0.01 0.00 0.34 0.00 0.00 59.36 59.88 3a7s h GLU 41 Cb 1.82 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 30.46 3a7s h GLU 41 CO -0.00 0.82 0.09 -0.97 -1.16 0.00 0.00 179.01 177.78 3a7s h ASN 42 N 0.29 0.00 0.37 1.42 -1.24 -0.15 -2.36 115.58 113.91 3a7s h ASN 42 Ca 0.06 0.00 -0.31 0.00 0.71 0.00 0.00 56.30 56.76 3a7s h ASN 42 Cb 0.66 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.65 3a7s h ASN 42 CO 0.04 0.00 -1.88 0.49 -1.29 0.00 0.00 177.43 174.79 3a7s n PHE 43 N -3.52 0.75 -0.31 0.67 3.01 -0.96 -4.19 117.46 112.91 3a7s n PHE 43 Ca -0.02 0.27 0.25 0.00 1.01 0.00 0.00 57.45 58.97 3a7s n PHE 43 Cb 0.17 -1.14 0.57 0.00 -0.01 0.00 0.00 39.48 39.07 3a7s n PHE 43 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3a7s h GLU 44 N 0.00 0.29 0.00 -1.08 4.39 -0.78 0.13 114.58 117.53 3a7s h GLU 44 Ca -0.35 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.27 3a7s h GLU 44 Cb 2.07 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.65 3a7s h GLU 44 CO 0.07 0.19 -0.31 0.87 -1.16 0.00 0.00 179.01 178.67 3a7s h LYS 45 N 0.30 0.00 0.00 2.33 1.79 -1.73 -3.23 116.57 116.03 3a7s h LYS 45 Ca 0.58 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.88 3a7s h LYS 45 Cb 1.66 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.28 3a7s h LYS 45 CO -0.23 0.31 -1.16 -0.07 -1.08 0.00 0.00 179.45 177.22 3a7s h LEU 46 N 0.00 0.00 -9.47 2.94 4.07 -0.96 -3.47 115.31 108.42 3a7s h LEU 46 Ca -0.00 0.00 -0.60 0.00 0.08 0.00 0.00 57.88 57.35 3a7s h LEU 46 Cb 0.80 0.00 0.12 0.00 1.08 0.00 0.00 40.66 42.66 3a7s h LEU 46 CO 0.04 0.68 0.03 2.29 -1.08 0.00 0.00 178.44 180.40 3a7s n LYS 47 N -3.06 1.18 -2.46 1.13 2.85 -1.08 -4.10 118.16 112.62 3a7s n LYS 47 Ca -0.06 0.42 -0.42 0.00 -1.05 0.00 0.00 58.31 57.20 3a7s n LYS 47 Cb 0.86 -1.80 -0.03 0.00 -0.65 0.00 0.00 35.03 33.40 3a7s n LYS 47 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 3a7s s PRO 48 N -1.65 4.46 -0.25 -1.58 0.04 -1.26 -4.87 135.00 129.89 3a7s s PRO 48 Ca 0.61 1.73 -0.14 0.00 0.04 0.00 0.00 61.00 63.23 3a7s s PRO 48 Cb -0.66 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 30.48 3a7s s PRO 48 CO 0.59 -0.20 0.32 0.08 0.04 0.00 0.00 177.00 177.82 3a7s s VAL 49 N 0.93 5.23 -0.42 -0.36 1.01 -1.26 -1.34 120.40 124.19 3a7s s VAL 49 Ca 0.57 0.49 0.23 0.00 0.00 0.00 0.00 61.98 63.27 3a7s s VAL 49 Cb -0.29 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.47 3a7s s VAL 49 CO 0.30 0.23 1.17 0.45 0.00 0.00 0.00 175.10 177.24 3a7s h HIS 50 N 7.86 0.00 0.00 5.22 3.86 -0.96 -3.49 115.15 127.64 3a7s h HIS 50 Ca -0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 3a7s h HIS 50 Cb 1.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.64 3a7s h HIS 50 CO 0.72 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.92 3a7s n GLY 51 N 1.25 1.33 3.33 2.45 0.00 -1.17 -4.63 105.19 107.74 3a7s n GLY 51 Ca 0.02 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 3a7s n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a7s s LEU 52 N 0.00 2.11 -0.17 0.99 1.43 -0.32 -1.12 118.68 121.60 3a7s s LEU 52 Ca 0.00 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 3a7s s LEU 52 Cb 0.00 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 3a7s s LEU 52 CO 0.00 0.31 -0.06 -0.63 0.23 0.00 0.00 176.35 176.21 3a7s s ILE 53 N -0.65 3.55 -0.18 -0.59 -1.09 0.10 -0.73 121.20 121.60 3a7s s ILE 53 Ca 0.10 -0.46 0.01 0.00 -2.23 0.00 0.00 60.65 58.07 3a7s s ILE 53 Cb -0.10 -2.57 0.02 0.00 -1.58 0.00 0.00 42.46 38.23 3a7s s ILE 53 CO -0.00 0.47 -0.18 0.12 -1.23 0.00 0.00 174.94 174.11 3a7s s PHE 54 N 0.77 2.79 -0.16 3.97 5.36 0.93 -0.47 117.98 131.18 3a7s s PHE 54 Ca -0.02 -1.56 -0.06 0.00 -0.96 0.00 0.00 56.93 54.33 3a7s s PHE 54 Cb -0.15 -1.93 -0.04 0.00 -0.34 0.00 0.00 43.02 40.56 3a7s s PHE 54 CO 0.02 -0.77 0.04 -0.51 -1.46 0.00 0.00 175.22 172.54 3a7s s LEU 55 N 1.28 3.72 0.06 6.12 1.02 -0.26 -1.02 118.68 129.60 3a7s s LEU 55 Ca 0.04 0.08 -0.26 0.00 0.02 0.00 0.00 54.13 54.02 3a7s s LEU 55 Cb -0.13 -1.91 0.08 0.00 0.02 0.00 0.00 46.19 44.24 3a7s s LEU 55 CO -0.11 0.23 0.69 0.72 0.02 0.00 0.00 176.35 177.90 3a7s s PHE 56 N 0.04 -0.53 -0.08 0.29 -0.12 -0.76 -0.33 117.98 116.49 3a7s s PHE 56 Ca 0.04 0.53 -0.29 0.00 -0.05 0.00 0.00 56.93 57.16 3a7s s PHE 56 Cb -0.12 0.51 -0.06 0.00 -0.63 0.00 0.00 43.02 42.72 3a7s s PHE 56 CO 0.01 -0.71 1.80 0.21 -0.05 0.00 0.00 175.22 176.48 3a7s s LYS 57 N -2.83 3.98 0.15 1.99 2.47 -0.76 -1.42 119.74 123.32 3a7s s LYS 57 Ca -0.02 2.19 -0.34 0.00 -1.56 0.00 0.00 55.97 56.24 3a7s s LYS 57 Cb -0.01 -4.09 -0.16 0.00 -1.46 0.00 0.00 37.83 32.12 3a7s s LYS 57 CO -0.06 -1.10 1.28 1.87 0.16 0.00 0.00 175.35 177.50 3a7s n TRP 58 N 8.01 1.52 -3.75 4.03 -0.00 -1.26 -4.92 117.44 121.07 3a7s n TRP 58 Ca 0.20 0.61 -0.35 0.00 -0.00 0.00 0.00 57.50 57.96 3a7s n TRP 58 Cb 0.43 -2.33 -0.10 0.00 -0.00 0.00 0.00 31.31 29.31 3a7s n TRP 58 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 3a7s s GLN 59 N 0.01 2.62 0.36 5.87 -1.52 -1.26 -5.07 119.66 120.67 3a7s s GLN 59 Ca 0.77 -2.79 -0.28 0.00 -1.95 0.00 0.00 55.36 51.11 3a7s s GLN 59 Cb -0.86 -3.69 -0.11 0.00 -0.22 0.00 0.00 33.01 28.14 3a7s s GLN 59 CO 0.49 -1.19 1.52 -1.25 -0.25 0.00 0.00 175.29 174.60 3a7s s PRO 60 N -0.51 4.10 0.00 2.91 0.04 -1.26 -2.29 135.00 137.98 3a7s s PRO 60 Ca 0.20 2.60 0.00 0.00 0.04 0.00 0.00 61.00 63.83 3a7s s PRO 60 Cb -0.17 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.40 3a7s s PRO 60 CO -0.06 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.82 3a7s n GLY 61 N 0.78 3.11 3.63 0.56 0.00 -1.26 -5.03 105.19 106.98 3a7s n GLY 61 Ca 0.02 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.56 3a7s n GLY 61 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3a7s n GLU 62 N -0.92 1.65 -2.34 1.61 2.13 -0.97 -4.92 120.64 116.88 3a7s n GLU 62 Ca 0.00 0.59 -0.38 0.00 0.66 0.00 0.00 57.16 58.03 3a7s n GLU 62 Cb 0.00 -2.28 -0.03 0.00 0.27 0.00 0.00 31.44 29.40 3a7s n GLU 62 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 3a7s s GLU 63 N 0.53 4.16 0.69 5.31 4.04 -1.26 -5.00 118.70 127.17 3a7s s GLU 63 Ca 0.80 1.82 -0.16 0.00 0.04 0.00 0.00 54.97 57.47 3a7s s GLU 63 Cb -0.80 -2.74 0.02 0.00 0.02 0.00 0.00 34.13 30.62 3a7s s GLU 63 CO 0.44 -0.22 1.19 -1.25 -1.84 0.00 0.00 175.26 173.57 3a7s s PRO 64 N -2.19 2.42 0.00 -4.83 0.04 -1.26 -4.87 135.00 124.31 3a7s s PRO 64 Ca 0.55 1.72 0.14 0.00 0.04 0.00 0.00 61.00 63.45 3a7s s PRO 64 Cb -0.30 -1.87 0.60 0.00 0.04 0.00 0.00 34.50 32.97 3a7s s PRO 64 CO 0.38 -1.61 1.42 0.00 0.04 0.00 0.00 177.00 177.23 3a7s n ALA 65 N -2.43 2.52 -3.00 8.56 0.00 -1.26 -4.91 120.51 119.99 3a7s n ALA 65 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3a7s n ALA 65 Cb 0.50 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3a7s n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a7s n GLY 66 N 0.90 1.88 3.66 0.00 0.00 -1.26 -4.94 105.19 105.42 3a7s n GLY 66 Ca 0.11 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 3a7s n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a7s s SER 67 N -0.49 6.95 -0.70 1.61 0.01 -1.16 -4.78 113.70 115.16 3a7s s SER 67 Ca 0.00 1.62 -0.27 0.00 1.31 0.00 0.00 55.95 58.61 3a7s s SER 67 Cb 0.00 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.70 3a7s s SER 67 CO 0.00 -0.76 1.56 -0.69 0.41 0.00 0.00 173.24 173.76 3a7s s VAL 68 N 3.50 3.55 -0.99 3.43 1.01 -1.26 -0.45 120.40 129.18 3a7s s VAL 68 Ca 0.53 0.26 -0.25 0.00 0.00 0.00 0.00 61.98 62.51 3a7s s VAL 68 Cb -0.20 -4.46 -0.22 0.00 0.00 0.00 0.00 36.38 31.50 3a7s s VAL 68 CO 0.14 -1.41 2.10 1.33 0.00 0.00 0.00 175.10 177.26 3a7s n VAL 69 N 6.81 0.00 0.00 2.92 0.24 0.06 -4.78 118.33 123.58 3a7s n VAL 69 Ca 0.13 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 3a7s n VAL 69 Cb 0.50 -1.88 0.00 0.00 -1.47 0.00 0.00 33.84 30.99 3a7s n VAL 69 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3a7s n GLN 70 N 8.03 0.00 -3.79 7.34 7.27 -1.26 -4.24 117.38 130.73 3a7s n GLN 70 Ca 0.40 0.01 -0.37 0.00 0.07 0.00 0.00 57.00 57.11 3a7s n GLN 70 Cb 0.46 -0.57 -0.13 0.00 2.41 0.00 0.00 30.24 32.41 3a7s n GLN 70 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 3a7s s ASP 71 N -2.20 5.21 0.00 1.69 -4.77 -1.26 -4.81 116.67 110.52 3a7s s ASP 71 Ca 0.00 -1.20 0.00 0.00 -3.30 0.00 0.00 52.55 48.05 3a7s s ASP 71 Cb 0.00 -1.83 0.00 0.00 -1.09 0.00 0.00 42.92 40.00 3a7s s ASP 71 CO 0.00 -0.32 0.00 -1.20 0.70 0.00 0.00 175.17 174.35 3a7s n SER 72 N 4.76 0.00 -1.64 2.11 7.64 -1.26 -4.96 113.62 120.26 3a7s n SER 72 Ca -0.12 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.69 3a7s n SER 72 Cb 0.44 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.66 3a7s n SER 72 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3a7s n ARG 73 N 0.00 1.32 0.05 1.43 1.85 -1.26 -4.26 116.66 115.80 3a7s n ARG 73 Ca 0.00 -0.63 0.09 0.00 -1.00 0.00 0.00 57.85 56.31 3a7s n ARG 73 Cb 0.00 -1.25 0.39 0.00 -1.05 0.00 0.00 32.46 30.56 3a7s n ARG 73 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3a7s n LEU 74 N 1.00 0.28 0.04 2.89 4.77 -1.26 -2.68 117.00 122.04 3a7s n LEU 74 Ca 0.12 0.57 0.12 0.00 -0.03 0.00 0.00 56.01 56.78 3a7s n LEU 74 Cb 0.54 -0.52 0.08 0.00 -2.33 0.00 0.00 43.42 41.19 3a7s n LEU 74 CO 0.15 -0.36 0.14 -0.90 -1.33 0.00 0.00 177.39 175.09 3a7s n ASP 75 N -1.81 0.65 -0.01 -1.43 5.75 -1.26 -4.05 116.55 114.39 3a7s n ASP 75 Ca 0.03 -0.05 0.11 0.00 -0.01 0.00 0.00 54.79 54.87 3a7s n ASP 75 Cb 0.21 0.53 -0.17 0.00 -1.03 0.00 0.00 41.12 40.66 3a7s n ASP 75 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3a7s n THR 76 N -2.05 0.00 -3.74 2.12 -2.24 -1.09 -4.89 114.28 102.39 3a7s n THR 76 Ca 0.02 -0.47 -0.36 0.00 -2.27 0.00 0.00 64.05 60.98 3a7s n THR 76 Cb 0.44 0.06 -0.10 0.00 -2.10 0.00 0.00 70.33 68.63 3a7s n THR 76 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3a7s s ILE 77 N -3.47 5.11 -0.39 2.28 -1.09 -1.18 -5.04 121.20 117.41 3a7s s ILE 77 Ca -0.07 0.09 -0.29 0.00 -2.23 0.00 0.00 60.65 58.15 3a7s s ILE 77 Cb 0.14 -3.37 0.01 0.00 -1.58 0.00 0.00 42.46 37.66 3a7s s ILE 77 CO 0.90 0.36 1.27 0.12 -1.23 0.00 0.00 174.94 176.36 3a7s s PHE 78 N 1.04 2.66 -0.04 3.97 2.19 -1.26 -4.87 117.98 121.67 3a7s s PHE 78 Ca 0.06 0.79 0.00 0.00 0.33 0.00 0.00 56.93 58.12 3a7s s PHE 78 Cb -0.14 -4.18 0.02 0.00 -1.31 0.00 0.00 43.02 37.42 3a7s s PHE 78 CO 0.04 -1.60 -0.02 0.12 1.83 0.00 0.00 175.22 175.59 3a7s s PHE 79 N 4.70 0.56 -0.05 10.12 5.36 -1.26 -4.92 117.98 132.50 3a7s s PHE 79 Ca 0.55 -0.12 0.06 0.00 -0.96 0.00 0.00 56.93 56.46 3a7s s PHE 79 Cb -0.13 -0.60 -0.01 0.00 -0.34 0.00 0.00 43.02 41.94 3a7s s PHE 79 CO 0.28 -0.20 -0.22 0.00 -1.46 0.00 0.00 175.22 173.62 3a7s s ALA 80 N 1.20 1.94 0.45 11.12 0.00 -1.26 -4.28 121.76 130.92 3a7s s ALA 80 Ca -0.07 -0.94 -0.22 0.00 0.00 0.00 0.00 51.96 50.73 3a7s s ALA 80 Cb -0.14 -0.59 -0.09 0.00 0.00 0.00 0.00 23.12 22.31 3a7s s ALA 80 CO -0.02 0.39 1.05 0.15 0.00 0.00 0.00 175.76 177.34 3a7s s LYS 81 N -0.19 3.95 0.22 0.00 1.02 -0.25 -4.45 119.74 120.05 3a7s s LYS 81 Ca -0.01 1.46 -0.29 0.00 0.02 0.00 0.00 55.97 57.15 3a7s s LYS 81 Cb -0.12 -2.31 -0.09 0.00 -0.52 0.00 0.00 37.83 34.79 3a7s s LYS 81 CO 0.02 -0.31 0.90 -1.14 -0.92 0.00 0.00 175.35 173.90 3a7s s GLN 82 N -2.87 4.79 0.09 1.68 0.74 -0.58 -4.19 119.66 119.31 3a7s s GLN 82 Ca 0.63 1.41 0.00 0.00 0.05 0.00 0.00 55.36 57.45 3a7s s GLN 82 Cb -0.20 -3.28 0.00 0.00 1.10 0.00 0.00 33.01 30.64 3a7s s GLN 82 CO 0.24 0.53 0.00 0.28 -0.55 0.00 0.00 175.29 175.80 3a7s n VAL 83 N 1.52 0.42 -3.10 1.34 0.31 -1.26 -4.90 118.33 112.65 3a7s n VAL 83 Ca -0.03 0.14 -0.40 0.00 -0.01 0.00 0.00 64.34 64.04 3a7s n VAL 83 Cb 0.47 -0.95 -0.05 0.00 -0.91 0.00 0.00 33.84 32.41 3a7s n VAL 83 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3a7s s ILE 84 N -1.51 5.05 0.16 2.52 -1.09 -1.26 -4.98 121.20 120.08 3a7s s ILE 84 Ca 0.00 1.29 -0.16 0.00 -2.23 0.00 0.00 60.65 59.55 3a7s s ILE 84 Cb 0.00 -3.98 0.02 0.00 -1.58 0.00 0.00 42.46 36.92 3a7s s ILE 84 CO 0.00 0.19 1.78 0.78 -1.23 0.00 0.00 174.94 176.46 3a7s h ASN 85 N 7.06 0.28 0.42 3.58 2.35 -1.98 -2.37 115.58 124.93 3a7s h ASN 85 Ca -0.37 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 3a7s h ASN 85 Cb 1.17 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.51 3a7s h ASN 85 CO 0.77 0.20 0.00 0.59 -1.65 0.00 0.00 177.43 177.34 3a7s n ASN 86 N -4.93 0.00 0.01 5.81 3.02 -1.26 -1.96 115.26 115.95 3a7s n ASN 86 Ca 0.01 0.47 0.12 0.00 -0.03 0.00 0.00 54.58 55.15 3a7s n ASN 86 Cb 0.09 -0.49 0.22 0.00 -0.61 0.00 0.00 39.78 38.99 3a7s n ASN 86 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a7s n ALA 87 N -1.49 3.41 -0.24 5.41 0.00 -0.89 -4.51 120.51 122.20 3a7s n ALA 87 Ca 0.03 -0.33 0.03 0.00 0.00 0.00 0.00 53.44 53.17 3a7s n ALA 87 Cb 0.15 -1.12 0.12 0.00 0.00 0.00 0.00 19.45 18.59 3a7s n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a7s h ALA 88 N 2.86 0.63 0.31 0.00 0.00 -1.41 -0.03 119.26 121.63 3a7s h ALA 88 Ca 0.00 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3a7s h ALA 88 Cb 0.57 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3a7s h ALA 88 CO 0.00 -0.42 -0.25 0.00 0.00 0.00 0.00 179.25 178.58 3a7s h ALA 89 N 1.69 -0.55 -0.85 0.00 0.00 -1.83 -0.87 119.26 116.85 3a7s h ALA 89 Ca 0.37 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.24 3a7s h ALA 89 Cb 0.62 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 3a7s h ALA 89 CO -0.67 -0.83 0.55 1.15 0.00 0.00 0.00 179.25 179.45 3a7s h THR 90 N -0.56 1.09 -0.50 0.00 2.02 -1.73 -2.21 112.91 111.02 3a7s h THR 90 Ca -0.02 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 66.71 3a7s h THR 90 Cb 0.50 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 3a7s h THR 90 CO -0.01 0.18 -0.12 -0.61 0.37 0.00 0.00 175.52 175.33 3a7s h GLN 91 N 0.99 0.97 -0.32 6.66 4.15 -0.57 -0.09 115.11 126.89 3a7s h GLN 91 Ca 0.35 -0.37 -0.06 0.00 0.77 0.00 0.00 58.65 59.35 3a7s h GLN 91 Cb 0.14 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 3a7s h GLN 91 CO -0.12 1.04 -0.03 0.00 -1.93 0.00 0.00 178.83 177.79 3a7s h ALA 92 N 0.90 0.43 0.44 3.38 0.00 -0.82 -1.57 119.26 122.03 3a7s h ALA 92 Ca 0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3a7s h ALA 92 Cb 0.68 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3a7s h ALA 92 CO 0.05 0.22 -0.21 0.82 0.00 0.00 0.00 179.25 180.12 3a7s h ILE 93 N 0.37 0.56 -0.53 0.00 2.04 -1.33 -2.61 117.51 116.02 3a7s h ILE 93 Ca 0.09 -0.03 0.11 0.00 1.00 0.00 0.00 64.86 66.03 3a7s h ILE 93 Cb 0.50 0.58 -0.10 0.00 -0.74 0.00 0.00 36.82 37.05 3a7s h ILE 93 CO 0.02 0.00 -0.09 0.58 0.00 0.00 0.00 178.15 178.67 3a7s h VAL 94 N -0.61 0.50 -0.41 1.67 2.07 -0.98 0.12 116.25 118.61 3a7s h VAL 94 Ca -0.06 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.52 3a7s h VAL 94 Cb 0.47 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3a7s h VAL 94 CO 0.10 0.01 0.28 0.28 0.02 0.00 0.00 177.57 178.26 3a7s h SER 95 N 0.03 0.21 -0.07 0.57 0.02 -1.13 0.18 113.55 113.37 3a7s h SER 95 Ca 0.26 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.11 3a7s h SER 95 Cb 0.41 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.91 3a7s h SER 95 CO -0.52 0.13 -0.37 0.58 -1.14 0.00 0.00 176.83 175.51 3a7s h VAL 96 N 0.23 1.42 -0.49 2.27 2.07 -0.42 -3.15 116.25 118.18 3a7s h VAL 96 Ca 0.19 -1.78 -0.08 0.00 0.82 0.00 0.00 66.70 65.84 3a7s h VAL 96 Cb 0.44 2.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 3a7s h VAL 96 CO -0.03 0.52 -0.03 -0.07 0.02 0.00 0.00 177.57 177.97 3a7s h LEU 97 N -0.12 0.81 0.00 2.57 3.38 -0.03 -2.47 115.31 119.45 3a7s h LEU 97 Ca -0.03 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3a7s h LEU 97 Cb 1.03 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3a7s h LEU 97 CO 0.08 0.90 0.00 0.18 0.09 0.00 0.00 178.44 179.68 3a7s n LEU 98 N -4.19 0.00 -0.43 1.67 4.77 0.50 -2.80 117.00 116.52 3a7s n LEU 98 Ca 0.02 0.32 0.06 0.00 -0.03 0.00 0.00 56.01 56.38 3a7s n LEU 98 Cb 0.33 -0.32 0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3a7s n LEU 98 CO 0.42 -0.02 0.38 0.59 -1.33 0.00 0.00 177.39 177.43 3a7s n ASN 99 N -1.32 1.83 -4.78 -1.43 3.02 -1.07 -4.77 115.26 106.74 3a7s n ASN 99 Ca 0.12 -1.41 -0.38 0.00 -0.03 0.00 0.00 54.58 52.88 3a7s n ASN 99 Cb 0.24 0.12 -0.06 0.00 -0.61 0.00 0.00 39.78 39.47 3a7s n ASN 99 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a7s n THR 101 N 1.05 0.45 -2.71 0.00 -2.24 -1.26 -5.04 114.28 104.54 3a7s n THR 101 Ca -0.02 -0.67 -0.42 0.00 -2.27 0.00 0.00 64.05 60.67 3a7s n THR 101 Cb 0.49 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 3a7s n THR 101 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3a7s s HIS 102 N -0.69 3.65 -0.37 4.78 5.04 -1.26 -4.93 115.29 121.51 3a7s s HIS 102 Ca 0.11 1.69 0.11 0.00 -1.54 0.00 0.00 55.06 55.43 3a7s s HIS 102 Cb 0.11 -3.12 0.62 0.00 0.04 0.00 0.00 32.58 30.22 3a7s s HIS 102 CO -0.01 -0.03 1.29 1.04 -2.34 0.00 0.00 174.74 174.68 3a7s n GLN 103 N 3.99 0.07 -0.13 2.88 3.00 -1.26 -1.31 117.38 124.62 3a7s n GLN 103 Ca 0.06 0.54 0.10 0.00 -0.01 0.00 0.00 57.00 57.69 3a7s n GLN 103 Cb 0.51 -1.86 0.30 0.00 0.00 0.00 0.00 30.24 29.19 3a7s n GLN 103 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3a7s n ASP 104 N -1.89 2.21 -4.16 1.08 8.00 -1.26 -4.82 116.55 115.71 3a7s n ASP 104 Ca -0.01 -1.83 -0.33 0.00 0.71 0.00 0.00 54.79 53.33 3a7s n ASP 104 Cb 0.13 -0.17 -0.16 0.00 -0.02 0.00 0.00 41.12 40.90 3a7s n ASP 104 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3a7s s VAL 105 N -1.65 2.30 -0.39 2.53 1.01 -0.43 -4.17 120.40 119.61 3a7s s VAL 105 Ca 0.33 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 3a7s s VAL 105 Cb 0.18 -1.98 0.04 0.00 0.00 0.00 0.00 36.38 34.62 3a7s s VAL 105 CO 0.26 0.52 0.22 -2.28 0.00 0.00 0.00 175.10 173.82 3a7s s HIS 106 N 1.31 3.26 0.46 5.22 2.46 -0.22 -4.88 115.29 122.91 3a7s s HIS 106 Ca 0.05 -1.12 0.13 0.00 0.47 0.00 0.00 55.06 54.59 3a7s s HIS 106 Cb -0.13 -2.56 1.07 0.00 -0.13 0.00 0.00 32.58 30.83 3a7s s HIS 106 CO -0.11 -0.70 2.06 1.25 -2.47 0.00 0.00 174.74 174.76 3a7s h LEU 107 N 8.43 0.27 0.00 8.88 5.85 -1.87 0.26 115.31 137.11 3a7s h LEU 107 Ca -0.25 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3a7s h LEU 107 Cb 1.10 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3a7s h LEU 107 CO 0.69 0.18 0.00 0.61 -0.34 0.00 0.00 178.44 179.58 3a7s n GLY 108 N -1.52 0.38 0.29 3.75 0.00 -1.26 -3.73 105.19 103.09 3a7s n GLY 108 Ca 0.04 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.21 3a7s n GLY 108 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3a7s h GLU 109 N 0.00 1.00 0.03 1.61 4.81 -1.84 -2.38 114.58 117.80 3a7s h GLU 109 Ca 0.00 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 3a7s h GLU 109 Cb 0.00 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3a7s h GLU 109 CO 0.00 1.01 -0.01 1.15 -0.73 0.00 0.00 179.01 180.43 3a7s h THR 110 N 0.87 1.06 0.01 0.32 2.02 -1.87 -1.84 112.91 113.48 3a7s h THR 110 Ca 0.15 -0.26 -0.19 0.00 0.77 0.00 0.00 66.41 66.88 3a7s h THR 110 Cb 0.59 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 3a7s h THR 110 CO 0.04 0.07 -0.87 -0.07 0.37 0.00 0.00 175.52 175.05 3a7s h LEU 111 N -0.15 0.14 -0.64 2.58 3.38 -1.78 -2.59 115.31 116.26 3a7s h LEU 111 Ca -0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3a7s h LEU 111 Cb 0.14 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3a7s h LEU 111 CO 0.01 0.94 0.33 0.28 0.09 0.00 0.00 178.44 180.09 3a7s h SER 112 N 0.06 0.81 -0.42 -0.43 0.02 -1.42 0.11 113.55 112.28 3a7s h SER 112 Ca -0.03 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.74 3a7s h SER 112 Cb 1.51 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.82 3a7s h SER 112 CO 0.12 0.69 0.00 -0.33 -1.14 0.00 0.00 176.83 176.18 3a7s h GLU 113 N 0.87 0.74 -0.67 3.45 5.08 -1.33 -0.56 114.58 122.16 3a7s h GLU 113 Ca 0.22 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3a7s h GLU 113 Cb 0.08 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3a7s h GLU 113 CO -0.03 0.82 0.32 0.35 -1.00 0.00 0.00 179.01 179.47 3a7s h PHE 114 N 0.58 0.97 -0.05 4.33 3.57 -1.17 -1.03 116.94 124.13 3a7s h PHE 114 Ca 0.12 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3a7s h PHE 114 Cb 0.48 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 3a7s h PHE 114 CO 0.04 0.73 0.03 -0.22 -2.23 0.00 0.00 178.31 176.65 3a7s h LYS 115 N 0.94 0.06 -0.24 1.11 3.64 -0.58 -1.56 116.57 119.94 3a7s h LYS 115 Ca 0.23 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 3a7s h LYS 115 Cb 0.12 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 3a7s h LYS 115 CO -0.03 0.04 0.07 0.93 -2.27 0.00 0.00 179.45 178.18 3a7s h GLU 116 N 0.06 0.16 0.00 1.90 5.08 -0.70 -1.02 114.58 120.06 3a7s h GLU 116 Ca 0.02 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 3a7s h GLU 116 Cb 0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3a7s h GLU 116 CO -0.01 0.11 -0.58 0.74 -1.00 0.00 0.00 179.01 178.27 3a7s h PHE 117 N 0.17 0.00 -0.02 4.33 -1.00 -1.12 -3.09 116.94 116.21 3a7s h PHE 117 Ca 0.11 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.89 3a7s h PHE 117 Cb 0.09 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.65 3a7s h PHE 117 CO -0.14 0.58 -0.04 -1.13 -1.61 0.00 0.00 178.31 175.98 3a7s n SER 118 N -3.74 2.12 -0.29 2.17 3.41 -0.59 -4.65 113.62 112.05 3a7s n SER 118 Ca -0.01 -1.68 -0.03 0.00 -0.26 0.00 0.00 58.87 56.90 3a7s n SER 118 Cb 0.60 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 3a7s n SER 118 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3a7s n GLN 119 N 0.61 -0.22 -0.74 4.33 -0.06 -0.40 -1.65 117.38 119.25 3a7s n GLN 119 Ca 0.16 1.13 0.08 0.00 -2.00 0.00 0.00 57.00 56.37 3a7s n GLN 119 Cb 0.46 -1.67 0.36 0.00 -4.06 0.00 0.00 30.24 25.33 3a7s n GLN 119 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 3a7s n SER 120 N -5.04 5.12 -4.86 1.69 3.41 -1.26 -4.95 113.62 107.73 3a7s n SER 120 Ca 0.06 -2.93 -0.32 0.00 -0.26 0.00 0.00 58.87 55.42 3a7s n SER 120 Cb 0.27 -0.63 -0.05 0.00 -0.26 0.00 0.00 64.21 63.53 3a7s n SER 120 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3a7s s PHE 121 N -2.73 3.41 0.88 7.33 0.08 -0.66 -5.07 117.98 121.22 3a7s s PHE 121 Ca 0.51 1.21 -0.15 0.00 0.12 0.00 0.00 56.93 58.61 3a7s s PHE 121 Cb 0.39 -2.55 0.21 0.00 -0.57 0.00 0.00 43.02 40.50 3a7s s PHE 121 CO 0.14 -0.03 1.07 -0.40 -0.10 0.00 0.00 175.22 175.91 3a7s n ASP 122 N -0.80 -0.41 0.02 1.36 5.68 -1.26 -4.64 116.55 116.50 3a7s n ASP 122 Ca 0.04 -1.32 -0.10 0.00 -0.50 0.00 0.00 54.79 52.90 3a7s n ASP 122 Cb 0.54 -0.86 -0.04 0.00 -1.14 0.00 0.00 41.12 39.62 3a7s n ASP 122 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a7s h ALA 123 N -2.02 -0.04 -0.45 2.12 0.00 -1.95 0.27 119.26 117.19 3a7s h ALA 123 Ca -0.36 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 3a7s h ALA 123 Cb 1.01 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3a7s h ALA 123 CO 0.25 -0.56 0.04 0.00 0.00 0.00 0.00 179.25 178.98 3a7s h ALA 124 N 0.92 1.22 -0.36 0.00 0.00 -1.90 -0.22 119.26 118.92 3a7s h ALA 124 Ca 0.06 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 3a7s h ALA 124 Cb 0.20 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3a7s h ALA 124 CO -0.14 0.52 -0.32 1.98 0.00 0.00 0.00 179.25 181.29 3a7s h MET 125 N 0.68 0.86 -0.73 0.00 -1.53 -1.78 -0.51 114.93 111.92 3a7s h MET 125 Ca 0.14 -0.44 -0.05 0.00 -3.44 0.00 0.00 59.70 55.91 3a7s h MET 125 Cb 0.37 0.01 -0.03 0.00 -0.55 0.00 0.00 31.60 31.39 3a7s h MET 125 CO 0.01 1.08 0.24 0.87 0.14 0.00 0.00 176.91 179.26 3a7s h LYS 126 N 0.66 1.12 -0.66 0.39 1.57 -0.26 0.20 116.57 119.58 3a7s h LYS 126 Ca 0.06 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 3a7s h LYS 126 Cb 0.90 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 3a7s h LYS 126 CO 0.08 0.94 0.24 0.78 -0.57 0.00 0.00 179.45 180.92 3a7s h GLY 127 N 1.11 1.08 1.38 3.86 0.00 -0.76 -1.53 103.07 108.21 3a7s h GLY 127 Ca 0.24 -0.61 -0.16 0.00 0.00 0.00 0.00 47.33 46.80 3a7s h GLY 127 CO -0.01 0.57 -0.50 1.41 0.00 0.00 0.00 176.54 178.01 3a7s h LEU 128 N 0.95 0.72 0.07 3.11 4.07 -0.78 -1.91 115.31 121.54 3a7s h LEU 128 Ca 0.22 -0.36 0.01 0.00 0.08 0.00 0.00 57.88 57.82 3a7s h LEU 128 Cb 0.24 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 3a7s h LEU 128 CO -0.01 1.09 -0.09 0.00 -1.08 0.00 0.00 178.44 178.35 3a7s h ALA 129 N 0.93 -0.16 -0.66 1.53 0.00 -0.76 0.14 119.26 120.28 3a7s h ALA 129 Ca 0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3a7s h ALA 129 Cb 1.05 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3a7s h ALA 129 CO 0.10 -0.60 0.14 1.25 0.00 0.00 0.00 179.25 180.14 3a7s h LEU 130 N -0.19 1.00 -0.80 0.00 5.85 -1.27 -0.73 115.31 119.17 3a7s h LEU 130 Ca 0.01 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.43 3a7s h LEU 130 Cb 0.19 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3a7s h LEU 130 CO -0.04 0.98 -0.04 0.28 -0.34 0.00 0.00 178.44 179.28 3a7s h SER 131 N 1.00 0.83 -0.51 1.25 0.02 -1.04 -2.59 113.55 112.52 3a7s h SER 131 Ca 0.21 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3a7s h SER 131 Cb 0.38 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3a7s h SER 131 CO 0.00 0.92 0.00 0.59 -1.14 0.00 0.00 176.83 177.21 3a7s n ASN 132 N -4.18 4.38 -4.55 3.07 3.02 0.46 -4.87 115.26 112.59 3a7s n ASN 132 Ca 0.02 -2.52 -0.43 0.00 -0.03 0.00 0.00 54.58 51.62 3a7s n ASN 132 Cb 0.34 -0.58 -0.05 0.00 -0.61 0.00 0.00 39.78 38.88 3a7s n ASN 132 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3a7s s SER 133 N -0.75 6.43 0.22 6.41 0.15 -0.30 -4.92 113.70 120.93 3a7s s SER 133 Ca 0.43 -0.06 -0.08 0.00 0.70 0.00 0.00 55.95 56.95 3a7s s SER 133 Cb 0.30 -2.39 0.17 0.00 -1.71 0.00 0.00 66.02 62.39 3a7s s SER 133 CO 0.18 -0.91 1.81 0.44 1.20 0.00 0.00 173.24 175.96 3a7s h ASP 134 N 8.95 1.07 0.02 5.45 3.32 -1.89 -0.42 116.42 132.93 3a7s h ASP 134 Ca -0.25 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.67 3a7s h ASP 134 Cb 1.09 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3a7s h ASP 134 CO 0.96 0.90 -0.01 0.58 -1.72 0.00 0.00 179.24 179.95 3a7s h VAL 135 N 1.16 1.09 -0.63 -1.35 2.07 -1.97 0.17 116.25 116.79 3a7s h VAL 135 Ca 0.28 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 3a7s h VAL 135 Cb 0.11 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3a7s h VAL 135 CO -0.04 0.09 0.16 0.40 0.02 0.00 0.00 177.57 178.21 3a7s h ILE 136 N -0.19 1.25 -0.84 4.57 2.04 -1.90 0.19 117.51 122.64 3a7s h ILE 136 Ca -0.00 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 64.91 3a7s h ILE 136 Cb 0.17 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3a7s h ILE 136 CO 0.01 0.35 0.41 -0.09 0.00 0.00 0.00 178.15 178.82 3a7s h ARG 137 N 0.93 1.20 -0.52 2.37 2.43 -0.94 0.72 114.38 120.57 3a7s h ARG 137 Ca 0.20 -0.17 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 3a7s h ARG 137 Cb 0.35 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3a7s h ARG 137 CO 0.00 0.92 -0.07 1.96 -1.51 0.00 0.00 179.97 181.27 3a7s h GLN 138 N 1.19 0.97 -0.63 0.20 4.20 0.34 0.27 115.11 121.64 3a7s h GLN 138 Ca 0.29 -0.34 -0.09 0.00 0.06 0.00 0.00 58.65 58.56 3a7s h GLN 138 Cb 0.11 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3a7s h GLN 138 CO -0.04 1.01 0.05 0.28 -0.67 0.00 0.00 178.83 179.46 3a7s h VAL 139 N 0.84 1.27 0.16 -0.54 2.07 -0.48 -0.67 116.25 118.89 3a7s h VAL 139 Ca 0.14 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.56 3a7s h VAL 139 Cb 0.62 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3a7s h VAL 139 CO 0.04 0.41 -0.16 -0.74 0.02 0.00 0.00 177.57 177.14 3a7s h HIS 140 N 1.00 -0.42 0.00 1.57 -0.00 -0.36 -2.19 115.15 114.74 3a7s h HIS 140 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.56 3a7s h HIS 140 Cb 0.51 0.17 0.00 0.00 -0.00 0.00 0.00 27.41 28.09 3a7s h HIS 140 CO 0.04 -0.25 0.00 -0.91 -0.00 0.00 0.00 177.93 176.81 3a7s h ASN 141 N -0.35 0.00 0.41 3.26 2.35 -0.33 -2.01 115.58 118.90 3a7s h ASN 141 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 3a7s h ASN 141 Cb 0.34 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 3a7s h ASN 141 CO -0.05 0.00 -0.19 0.28 -1.65 0.00 0.00 177.43 175.83 3a7s h SER 142 N 0.00 0.00 0.00 5.81 0.02 -0.45 -2.93 113.55 116.00 3a7s h SER 142 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3a7s h SER 142 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3a7s h SER 142 CO 0.00 0.19 -0.73 0.49 -1.14 0.00 0.00 176.83 175.64 3a7s n PHE 143 N -3.77 0.00 -2.19 3.45 3.72 -0.80 -4.53 117.46 113.35 3a7s n PHE 143 Ca -0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.00 3a7s n PHE 143 Cb 0.29 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 38.83 3a7s n PHE 143 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3a7s n ALA 144 N -1.37 6.41 0.00 4.37 0.00 -0.93 -4.84 120.51 124.16 3a7s n ALA 144 Ca 0.03 -4.18 0.00 0.00 0.00 0.00 0.00 53.44 49.29 3a7s n ALA 144 Cb 0.24 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.38 3a7s n ALA 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3a7s n ARG 145 N 0.46 0.00 -3.52 0.00 1.74 -1.26 -4.78 116.66 109.30 3a7s n ARG 145 Ca 0.53 0.05 -0.25 0.00 -0.77 0.00 0.00 57.85 57.41 3a7s n ARG 145 Cb 0.29 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.09 3a7s n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a7s s ALA 162 N -2.08 0.27 0.31 7.54 0.00 -1.26 -5.01 121.76 121.53 3a7s s ALA 162 Ca 0.00 -0.67 0.10 0.00 0.00 0.00 0.00 51.96 51.40 3a7s s ALA 162 Cb 0.00 -1.41 -0.05 0.00 0.00 0.00 0.00 23.12 21.66 3a7s s ALA 162 CO 0.00 -1.54 -0.08 -0.06 0.00 0.00 0.00 175.76 174.08 3a7s s PHE 163 N 2.18 2.47 -0.07 0.00 0.40 -1.26 -4.90 117.98 116.81 3a7s s PHE 163 Ca 0.08 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 55.92 3a7s s PHE 163 Cb -0.16 -1.25 -0.05 0.00 0.51 0.00 0.00 43.02 42.07 3a7s s PHE 163 CO -0.29 0.60 0.29 -1.58 0.70 0.00 0.00 175.22 174.94 3a7s s HIS 164 N -2.49 3.64 -0.12 0.36 5.65 -0.51 -4.89 115.29 116.94 3a7s s HIS 164 Ca 0.32 0.76 -0.01 0.00 0.25 0.00 0.00 55.06 56.38 3a7s s HIS 164 Cb -0.03 -2.16 -0.03 0.00 -1.18 0.00 0.00 32.58 29.19 3a7s s HIS 164 CO 0.18 0.63 -0.06 -0.06 -0.65 0.00 0.00 174.74 174.77 3a7s s PHE 165 N -0.86 2.96 0.08 3.88 0.08 -1.26 -1.83 117.98 121.03 3a7s s PHE 165 Ca 0.19 -0.21 0.06 0.00 0.12 0.00 0.00 56.93 57.09 3a7s s PHE 165 Cb -0.14 -1.84 -0.03 0.00 -0.57 0.00 0.00 43.02 40.43 3a7s s PHE 165 CO 0.08 0.09 -0.16 0.08 -0.10 0.00 0.00 175.22 175.22 3a7s s VAL 166 N -0.12 1.26 0.02 -0.44 1.01 -0.19 -4.61 120.40 117.33 3a7s s VAL 166 Ca 0.02 -1.33 0.09 0.00 0.00 0.00 0.00 61.98 60.75 3a7s s VAL 166 Cb -0.13 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 3a7s s VAL 166 CO 0.03 -0.16 -0.26 -0.44 0.00 0.00 0.00 175.10 174.27 3a7s s SER 167 N -1.72 3.08 -0.16 3.32 0.01 -0.84 -0.05 113.70 117.35 3a7s s SER 167 Ca 0.00 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 56.73 3a7s s SER 167 Cb -0.10 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.83 3a7s s SER 167 CO 0.03 0.28 -0.17 -0.31 0.41 0.00 0.00 173.24 173.48 3a7s s TYR 168 N -0.72 2.77 -0.06 2.43 2.02 0.09 0.73 117.35 124.61 3a7s s TYR 168 Ca 0.11 -1.22 -0.05 0.00 -0.37 0.00 0.00 57.07 55.54 3a7s s TYR 168 Cb -0.10 -1.90 0.01 0.00 -0.40 0.00 0.00 41.96 39.58 3a7s s TYR 168 CO 0.01 -0.58 0.15 0.14 -1.57 0.00 0.00 175.55 173.70 3a7s s VAL 169 N 0.97 0.00 -0.03 0.71 -7.23 -0.72 -1.17 120.40 112.92 3a7s s VAL 169 Ca -0.03 -0.00 -0.17 0.00 -1.81 0.00 0.00 61.98 59.97 3a7s s VAL 169 Cb -0.15 -0.22 -0.05 0.00 0.56 0.00 0.00 36.38 36.52 3a7s s VAL 169 CO -0.03 -0.00 0.47 -2.16 -0.31 0.00 0.00 175.10 173.06 3a7s s PRO 170 N 0.07 4.15 -0.07 4.82 0.04 -1.26 -1.78 135.00 140.97 3a7s s PRO 170 Ca -0.00 0.49 -0.01 0.00 0.04 0.00 0.00 61.00 61.52 3a7s s PRO 170 Cb -0.01 -3.31 0.03 0.00 0.04 0.00 0.00 34.50 31.25 3a7s s PRO 170 CO 0.00 0.46 0.01 0.08 0.04 0.00 0.00 177.00 177.60 3a7s s VAL 171 N -0.38 0.30 -1.52 -0.36 1.01 0.27 -4.89 120.40 114.83 3a7s s VAL 171 Ca 0.26 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 62.26 3a7s s VAL 171 Cb -0.17 -0.49 0.08 0.00 0.00 0.00 0.00 36.38 35.80 3a7s s VAL 171 CO 0.13 0.23 0.97 0.59 0.00 0.00 0.00 175.10 177.03 3a7s n ASN 172 N 5.17 -4.62 0.00 3.32 3.02 -1.26 -1.00 115.26 119.88 3a7s n ASN 172 Ca -0.06 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 3a7s n ASN 172 Cb 0.50 -3.91 0.00 0.00 -0.61 0.00 0.00 39.78 35.76 3a7s n ASN 172 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a7s n GLY 173 N -1.70 0.64 3.13 7.41 0.00 -1.26 -5.02 105.19 108.39 3a7s n GLY 173 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3a7s n GLY 173 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a7s s ARG 174 N -0.24 1.21 -0.10 1.61 0.52 -0.17 -2.09 118.95 119.68 3a7s s ARG 174 Ca 0.00 -0.58 -0.17 0.00 -0.52 0.00 0.00 55.73 54.46 3a7s s ARG 174 Cb 0.00 -1.18 -0.05 0.00 0.52 0.00 0.00 34.95 34.24 3a7s s ARG 174 CO 0.00 0.32 0.42 -1.17 0.02 0.00 0.00 175.30 174.89 3a7s s LEU 175 N -0.48 4.31 -0.01 2.53 2.96 0.14 0.94 118.68 129.08 3a7s s LEU 175 Ca 0.05 0.78 0.04 0.00 -0.22 0.00 0.00 54.13 54.79 3a7s s LEU 175 Cb -0.06 -2.60 -0.01 0.00 0.50 0.00 0.00 46.19 44.01 3a7s s LEU 175 CO -0.00 0.09 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.68 3a7s s TYR 176 N 0.21 1.15 -0.17 5.38 2.02 -0.73 0.01 117.35 125.22 3a7s s TYR 176 Ca 0.23 -0.23 -0.07 0.00 -0.37 0.00 0.00 57.07 56.63 3a7s s TYR 176 Cb -0.15 -0.74 -0.04 0.00 -0.40 0.00 0.00 41.96 40.63 3a7s s TYR 176 CO 0.10 -0.02 0.08 -2.00 -1.57 0.00 0.00 175.55 172.14 3a7s s GLU 177 N -0.36 3.87 -0.33 -0.62 2.12 -0.16 -1.76 118.70 121.46 3a7s s GLU 177 Ca 0.05 -0.29 0.01 0.00 0.36 0.00 0.00 54.97 55.10 3a7s s GLU 177 Cb -0.05 -3.22 0.09 0.00 0.26 0.00 0.00 34.13 31.20 3a7s s GLU 177 CO -0.00 0.39 0.04 -0.51 -0.54 0.00 0.00 175.26 174.63 3a7s s LEU 178 N 0.07 4.45 -0.24 2.70 1.43 0.22 -1.17 118.68 126.14 3a7s s LEU 178 Ca 0.07 -1.83 0.01 0.00 -1.03 0.00 0.00 54.13 51.35 3a7s s LEU 178 Cb -0.12 -1.67 0.04 0.00 0.03 0.00 0.00 46.19 44.47 3a7s s LEU 178 CO 0.00 -0.35 -0.11 -0.62 0.23 0.00 0.00 176.35 175.50 3a7s s ASP 179 N 1.19 4.09 0.61 2.29 -1.08 -1.26 -1.98 116.67 120.54 3a7s s ASP 179 Ca 0.04 -1.05 0.35 0.00 -0.52 0.00 0.00 52.55 51.37 3a7s s ASP 179 Cb -0.20 -1.57 1.92 0.00 -1.46 0.00 0.00 42.92 41.60 3a7s s ASP 179 CO -0.05 -0.13 2.07 1.23 0.52 0.00 0.00 175.17 178.81 3a7s h GLY 180 N 7.90 0.00 -0.14 2.66 0.00 -1.81 -0.25 103.07 111.42 3a7s h GLY 180 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3a7s h GLY 180 CO 0.54 0.00 -0.03 1.04 0.00 0.00 0.00 176.54 178.09 3a7s n LEU 181 N -2.86 1.21 -4.95 3.11 4.32 -1.26 -1.52 117.00 115.05 3a7s n LEU 181 Ca -0.02 -0.39 -0.19 0.00 -0.02 0.00 0.00 56.01 55.39 3a7s n LEU 181 Cb 0.19 -0.02 -0.01 0.00 -1.62 0.00 0.00 43.42 41.96 3a7s n LEU 181 CO 0.16 0.20 0.05 -0.13 -1.22 0.00 0.00 177.39 176.45 3a7s s ARG 182 N -2.08 2.88 0.00 3.23 0.52 -0.11 -5.02 118.95 118.38 3a7s s ARG 182 Ca 0.37 -1.21 0.27 0.00 -0.52 0.00 0.00 55.73 54.65 3a7s s ARG 182 Cb 0.21 -2.67 1.32 0.00 0.52 0.00 0.00 34.95 34.32 3a7s s ARG 182 CO 0.37 -0.06 1.91 0.39 0.02 0.00 0.00 175.30 177.93 3a7s n GLU 183 N -1.63 0.31 -3.85 3.54 -0.58 -1.26 -4.93 120.64 112.25 3a7s n GLU 183 Ca 0.02 0.03 0.04 0.00 -0.42 0.00 0.00 57.16 56.84 3a7s n GLU 183 Cb 0.59 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.97 3a7s n GLU 183 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3a7s s GLY 184 N -2.65 -0.32 0.75 0.62 0.00 -1.26 -4.88 107.32 99.59 3a7s s GLY 184 Ca 0.23 0.45 -0.15 0.00 0.00 0.00 0.00 44.72 45.25 3a7s s GLY 184 CO 0.42 4.13 1.18 -1.05 0.00 0.00 0.00 173.10 177.79 3a7s n PRO 185 N -0.78 0.48 -3.76 2.90 -0.01 -1.26 -4.71 135.00 127.86 3a7s n PRO 185 Ca -0.00 0.23 -0.37 0.00 -0.01 0.00 0.00 63.50 63.35 3a7s n PRO 185 Cb 0.60 -2.43 -0.13 0.00 -0.01 0.00 0.00 33.50 31.54 3a7s n PRO 185 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 175.50 175.91 3a7s s ILE 186 N -1.87 3.96 -0.37 4.25 1.01 -0.32 -0.76 121.20 127.10 3a7s s ILE 186 Ca 0.76 -0.74 -0.29 0.00 0.00 0.00 0.00 60.65 60.39 3a7s s ILE 186 Cb -0.32 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.09 3a7s s ILE 186 CO 0.48 0.05 1.41 -0.62 0.00 0.00 0.00 174.94 176.26 3a7s s ASP 187 N 1.49 6.41 -0.43 3.58 2.15 0.40 -0.98 116.67 129.30 3a7s s ASP 187 Ca 0.02 1.00 0.04 0.00 0.43 0.00 0.00 52.55 54.04 3a7s s ASP 187 Cb -0.17 -2.54 0.64 0.00 -0.30 0.00 0.00 42.92 40.55 3a7s s ASP 187 CO 0.03 -1.34 1.87 0.18 -0.17 0.00 0.00 175.17 175.74 3a7s n LEU 188 N 8.52 6.56 0.00 -1.34 4.77 0.10 -2.97 117.00 132.64 3a7s n LEU 188 Ca 0.16 -3.50 0.00 0.00 -0.03 0.00 0.00 56.01 52.65 3a7s n LEU 188 Cb 0.47 -0.82 -0.00 0.00 -2.33 0.00 0.00 43.42 40.74 3a7s n LEU 188 CO 0.68 1.02 -0.01 0.61 -1.33 0.00 0.00 177.39 178.36 3a7s n GLY 189 N -1.04 -1.90 3.87 -0.72 0.00 -1.25 -4.65 105.19 99.51 3a7s n GLY 189 Ca 0.57 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 3a7s n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a7s s ALA 190 N -1.22 3.21 0.24 4.61 0.00 -1.26 -0.68 121.76 126.66 3a7s s ALA 190 Ca 0.00 -0.14 -0.22 0.00 0.00 0.00 0.00 51.96 51.61 3a7s s ALA 190 Cb 0.00 -2.90 0.06 0.00 0.00 0.00 0.00 23.12 20.28 3a7s s ALA 190 CO 0.00 -0.35 0.90 0.00 0.00 0.00 0.00 175.76 176.30 3a7s s ASN 192 N -3.08 5.89 0.00 0.00 2.47 -1.26 -4.33 114.94 114.62 3a7s s ASN 192 Ca 0.15 0.23 0.00 0.00 0.42 0.00 0.00 52.86 53.66 3a7s s ASN 192 Cb -0.03 -1.94 0.00 0.00 -1.45 0.00 0.00 41.25 37.83 3a7s s ASN 192 CO 0.06 0.27 0.46 1.67 -3.72 0.00 0.00 177.10 175.84 3a7s n GLN 193 N 2.88 0.00 0.24 0.43 -0.06 -1.26 -1.73 117.38 117.87 3a7s n GLN 193 Ca -0.18 0.46 0.15 0.00 -2.00 0.00 0.00 57.00 55.43 3a7s n GLN 193 Cb 0.53 -0.82 0.78 0.00 -4.06 0.00 0.00 30.24 26.68 3a7s n GLN 193 CO 0.00 0.00 0.00 0.38 -0.20 0.00 0.00 177.06 177.24 3a7s h ASP 194 N 0.00 0.00 -0.63 1.69 -0.00 -1.98 -2.99 116.42 112.51 3a7s h ASP 194 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.03 56.59 3a7s h ASP 194 Cb 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 39.33 38.91 3a7s h ASP 194 CO 0.00 0.00 -0.92 -0.90 -0.00 0.00 0.00 179.24 177.42 3a7s n ASP 195 N -2.56 3.73 0.26 4.15 5.75 -0.71 -4.85 116.55 122.32 3a7s n ASP 195 Ca -0.02 -3.14 0.15 0.00 -0.01 0.00 0.00 54.79 51.77 3a7s n ASP 195 Cb 0.12 -0.39 0.57 0.00 -1.03 0.00 0.00 41.12 40.40 3a7s n ASP 195 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 3a7s h TRP 196 N 2.32 0.00 -0.19 2.11 5.08 -1.19 -3.31 115.95 120.77 3a7s h TRP 196 Ca 0.19 0.00 0.05 0.00 1.08 0.00 0.00 58.89 60.21 3a7s h TRP 196 Cb 1.44 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 27.54 3a7s h TRP 196 CO 0.73 0.07 -0.30 0.82 -1.28 0.00 0.00 178.44 178.47 3a7s h ILE 197 N 0.00 0.31 -0.86 0.12 5.03 -1.88 0.12 117.51 120.34 3a7s h ILE 197 Ca -0.00 0.00 0.25 0.00 -0.12 0.00 0.00 64.86 64.99 3a7s h ILE 197 Cb 0.62 0.31 -0.03 0.00 -3.03 0.00 0.00 36.82 34.69 3a7s h ILE 197 CO 0.01 0.00 0.66 0.28 -0.68 0.00 0.00 178.15 178.42 3a7s h SER 198 N -0.34 0.00 0.55 1.72 0.02 -1.99 0.38 113.55 113.89 3a7s h SER 198 Ca 0.12 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.78 3a7s h SER 198 Cb 0.52 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.08 3a7s h SER 198 CO -0.38 0.00 -1.30 0.00 -1.14 0.00 0.00 176.83 174.01 3a7s h ALA 199 N 1.49 0.03 0.00 3.77 0.00 -1.02 -3.33 119.26 120.19 3a7s h ALA 199 Ca 0.41 -0.88 -0.19 0.00 0.00 0.00 0.00 54.91 54.25 3a7s h ALA 199 Cb 1.72 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 3a7s h ALA 199 CO -0.00 0.91 -1.11 -0.24 0.00 0.00 0.00 179.25 178.81 3a7s h VAL 200 N 0.09 1.06 -0.67 0.00 3.04 0.32 -3.38 116.25 116.70 3a7s h VAL 200 Ca -0.16 -2.66 0.07 0.00 -1.01 0.00 0.00 66.70 62.93 3a7s h VAL 200 Cb 2.02 2.48 -0.09 0.00 -2.01 0.00 0.00 31.29 33.68 3a7s h VAL 200 CO 0.22 0.60 -0.53 -0.09 -1.01 0.00 0.00 177.57 176.77 3a7s h ARG 201 N 0.00 -0.16 -0.96 4.17 2.43 -0.47 -0.10 114.38 119.29 3a7s h ARG 201 Ca -0.10 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.16 3a7s h ARG 201 Cb 1.68 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 31.20 3a7s h ARG 201 CO 0.09 -0.11 0.60 -1.00 -1.51 0.00 0.00 179.97 178.04 3a7s h PRO 202 N -0.17 1.02 -0.01 0.20 0.13 -1.74 -1.59 132.00 129.84 3a7s h PRO 202 Ca 0.11 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.18 3a7s h PRO 202 Cb 0.45 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.35 3a7s h PRO 202 CO -0.72 0.68 -0.02 0.28 -0.23 0.00 0.00 178.00 177.99 3a7s h VAL 203 N 1.05 0.94 -0.51 1.56 2.07 -1.32 -2.84 116.25 117.22 3a7s h VAL 203 Ca 0.43 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.86 3a7s h VAL 203 Cb 0.27 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3a7s h VAL 203 CO -0.20 0.00 -0.06 -0.29 0.02 0.00 0.00 177.57 177.03 3a7s h ILE 204 N -0.03 1.26 0.07 4.57 6.09 -0.76 -3.05 117.51 125.66 3a7s h ILE 204 Ca 0.01 -1.16 -0.00 0.00 -1.37 0.00 0.00 64.86 62.34 3a7s h ILE 204 Cb 0.05 0.94 0.00 0.00 0.47 0.00 0.00 36.82 38.27 3a7s h ILE 204 CO -0.03 0.41 -0.04 -0.33 -3.07 0.00 0.00 178.15 175.09 3a7s h GLU 205 N 0.82 -0.10 -0.58 2.19 5.08 -1.20 0.25 114.58 121.05 3a7s h GLU 205 Ca 0.14 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 3a7s h GLU 205 Cb 0.58 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 3a7s h GLU 205 CO 0.03 -0.07 0.25 0.87 -1.00 0.00 0.00 179.01 179.10 3a7s h LYS 206 N -0.10 0.45 -0.37 2.33 1.79 -1.54 0.04 116.57 119.17 3a7s h LYS 206 Ca -0.01 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 3a7s h LYS 206 Cb 0.08 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 3a7s h LYS 206 CO 0.01 0.30 0.19 -0.09 -1.08 0.00 0.00 179.45 178.79 3a7s h ARG 207 N 0.47 0.52 -0.15 3.15 2.43 -1.31 -1.84 114.38 117.65 3a7s h ARG 207 Ca 0.28 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 3a7s h ARG 207 Cb 0.27 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3a7s h ARG 207 CO -0.24 0.44 -0.13 0.82 -1.51 0.00 0.00 179.97 179.35 3a7s h ILE 208 N 0.47 1.18 0.78 1.20 2.04 -0.57 -2.06 117.51 120.55 3a7s h ILE 208 Ca 0.13 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 3a7s h ILE 208 Cb 0.08 1.21 0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3a7s h ILE 208 CO -0.02 0.24 -0.38 -0.61 0.00 0.00 0.00 178.15 177.39 3a7s h GLN 209 N 0.22 -1.01 0.00 2.37 5.75 -0.43 0.17 115.11 122.18 3a7s h GLN 209 Ca 0.05 0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 3a7s h GLN 209 Cb 0.37 0.23 0.00 0.00 1.07 0.00 0.00 27.48 29.15 3a7s h GLN 209 CO 0.02 -0.66 0.00 1.57 -2.65 0.00 0.00 178.83 177.11 3a7s h LYS 210 N -1.16 0.00 0.10 1.69 2.10 -1.24 0.24 116.57 118.30 3a7s h LYS 210 Ca -0.11 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.25 3a7s h LYS 210 Cb 0.82 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.14 3a7s h LYS 210 CO 0.18 0.00 -1.45 1.88 -2.00 0.00 0.00 179.45 178.06 3a7s h TYR 211 N 0.00 0.39 0.09 0.07 0.05 -1.15 -2.02 116.97 114.41 3a7s h TYR 211 Ca 0.00 -0.29 -0.00 0.00 0.05 0.00 0.00 58.73 58.49 3a7s h TYR 211 Cb 0.29 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.02 3a7s h TYR 211 CO 0.00 1.31 -0.04 0.77 -1.05 0.00 0.00 178.16 179.15 3a7s h SER 212 N 0.06 -0.10 -0.31 3.88 0.02 0.43 0.36 113.55 117.89 3a7s h SER 212 Ca -0.21 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 60.63 3a7s h SER 212 Cb 1.99 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 64.54 3a7s h SER 212 CO 0.16 0.06 0.21 -0.33 -1.14 0.00 0.00 176.83 175.78 3a7s h GLU 213 N -0.26 0.38 -0.61 3.45 5.08 -0.65 -1.67 114.58 120.30 3a7s h GLU 213 Ca -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3a7s h GLU 213 Cb 0.22 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3a7s h GLU 213 CO 0.02 0.25 0.00 0.41 -1.00 0.00 0.00 179.01 178.69 3a7s n GLY 214 N -1.50 1.93 3.64 -3.84 0.00 -0.76 -4.93 105.19 99.73 3a7s n GLY 214 Ca 0.02 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 3a7s n GLY 214 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a7s n GLU 215 N 1.10 -4.79 -3.20 1.61 1.02 -0.23 -4.94 120.64 111.21 3a7s n GLU 215 Ca 0.20 0.60 -0.41 0.00 -0.02 0.00 0.00 57.16 57.53 3a7s n GLU 215 Cb 0.59 -5.44 -0.07 0.00 -0.02 0.00 0.00 31.44 26.50 3a7s n GLU 215 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3a7s s ILE 216 N -3.17 4.98 0.51 -3.67 1.01 0.11 -5.02 121.20 115.93 3a7s s ILE 216 Ca 0.54 0.44 -0.23 0.00 0.00 0.00 0.00 60.65 61.40 3a7s s ILE 216 Cb -0.27 -4.00 -0.07 0.00 0.01 0.00 0.00 42.46 38.13 3a7s s ILE 216 CO 0.67 -0.24 1.33 0.54 0.00 0.00 0.00 174.94 177.23 3a7s n ARG 217 N 5.84 1.79 -3.63 2.79 1.74 -1.26 -4.55 116.66 119.37 3a7s n ARG 217 Ca -0.04 0.65 -0.06 0.00 -0.77 0.00 0.00 57.85 57.63 3a7s n ARG 217 Cb 0.49 -2.51 -0.02 0.00 -1.02 0.00 0.00 32.46 29.40 3a7s n ARG 217 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3a7s s PHE 218 N -1.27 -0.25 -0.06 -1.55 -0.12 -1.26 -1.83 117.98 111.64 3a7s s PHE 218 Ca 0.68 0.02 -0.18 0.00 -0.05 0.00 0.00 56.93 57.39 3a7s s PHE 218 Cb -0.44 0.59 0.04 0.00 -0.63 0.00 0.00 43.02 42.58 3a7s s PHE 218 CO 0.52 -0.72 0.42 1.21 -0.05 0.00 0.00 175.22 176.60 3a7s s ASN 219 N -2.73 -0.35 -0.04 1.98 3.84 0.56 -4.97 114.94 113.22 3a7s s ASN 219 Ca 0.08 0.41 0.04 0.00 0.21 0.00 0.00 52.86 53.60 3a7s s ASN 219 Cb -0.01 0.50 0.00 0.00 -0.55 0.00 0.00 41.25 41.19 3a7s s ASN 219 CO -0.03 -0.41 -0.15 -0.22 -2.79 0.00 0.00 177.10 173.50 3a7s s LEU 220 N -0.93 1.84 0.19 3.21 2.96 -1.26 -1.11 118.68 123.59 3a7s s LEU 220 Ca -0.10 -0.31 0.05 0.00 -0.22 0.00 0.00 54.13 53.55 3a7s s LEU 220 Cb -0.04 -0.86 -0.05 0.00 0.50 0.00 0.00 46.19 45.74 3a7s s LEU 220 CO 0.05 0.11 -0.07 -0.04 -1.32 0.00 0.00 176.35 175.08 3a7s s MET 221 N 0.19 1.23 -0.03 1.98 -1.94 0.38 0.12 119.30 121.23 3a7s s MET 221 Ca -0.06 -1.57 0.03 0.00 -1.71 0.00 0.00 55.69 52.38 3a7s s MET 221 Cb -0.12 -0.72 0.00 0.00 2.01 0.00 0.00 34.83 36.00 3a7s s MET 221 CO 0.02 0.03 -0.11 0.00 -0.01 0.00 0.00 175.02 174.95 3a7s s ALA 222 N -3.29 1.04 -0.33 3.03 0.00 0.41 -0.72 121.76 121.90 3a7s s ALA 222 Ca 0.22 -0.43 -0.15 0.00 0.00 0.00 0.00 51.96 51.60 3a7s s ALA 222 Cb 0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3a7s s ALA 222 CO 0.05 0.18 0.37 0.42 0.00 0.00 0.00 175.76 176.78 3a7s s ILE 223 N 0.15 5.16 0.34 0.00 1.01 -0.27 -0.24 121.20 127.34 3a7s s ILE 223 Ca -0.03 0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.84 3a7s s ILE 223 Cb -0.09 -3.80 -0.06 0.00 0.01 0.00 0.00 42.46 38.52 3a7s s ILE 223 CO 0.01 -0.04 0.06 0.68 0.00 0.00 0.00 174.94 175.65 3a7s s VAL 224 N 2.05 1.15 0.48 2.92 -7.23 -0.22 -0.25 120.40 119.31 3a7s s VAL 224 Ca 0.13 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.09 3a7s s VAL 224 Cb -0.16 -2.75 -0.08 0.00 0.56 0.00 0.00 36.38 33.95 3a7s s VAL 224 CO 0.11 0.00 1.07 -0.55 -0.31 0.00 0.00 175.10 175.42 3a7s s SER 225 N -3.51 6.27 0.00 4.85 0.15 -0.45 -0.87 113.70 120.14 3a7s s SER 225 Ca 0.35 2.03 0.00 0.00 0.70 0.00 0.00 55.95 59.03 3a7s s SER 225 Cb 0.08 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 3a7s s SER 225 CO 0.15 -0.84 0.36 -0.90 1.20 0.00 0.00 173.24 173.22