#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6s s LYS 2 N 0.00 0.88 0.05 2.12 -0.14 -0.96 -4.99 119.74 116.69 3a6s s LYS 2 Ca 0.00 -1.17 0.02 0.00 -1.36 0.00 0.00 55.97 53.46 3a6s s LYS 2 Cb 0.00 -0.60 -0.04 0.00 -1.68 0.00 0.00 37.83 35.52 3a6s s LYS 2 CO 0.00 0.10 0.06 0.15 -0.76 0.00 0.00 175.35 174.89 3a6s s LYS 3 N -2.78 2.87 -0.11 1.68 1.02 -1.26 -1.88 119.74 119.28 3a6s s LYS 3 Ca 0.06 -0.65 -0.01 0.00 0.02 0.00 0.00 55.97 55.39 3a6s s LYS 3 Cb -0.03 -2.73 0.03 0.00 -0.52 0.00 0.00 37.83 34.58 3a6s s LYS 3 CO 0.01 0.59 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.84 3a6s s LEU 4 N -2.09 0.94 -0.02 3.17 2.96 -0.58 -4.94 118.68 118.11 3a6s s LEU 4 Ca 0.26 -0.32 0.07 0.00 -0.22 0.00 0.00 54.13 53.92 3a6s s LEU 4 Cb -0.12 -0.62 -0.02 0.00 0.50 0.00 0.00 46.19 45.94 3a6s s LEU 4 CO 0.18 -0.19 -0.22 -1.10 -1.32 0.00 0.00 176.35 173.69 3a6s s GLN 5 N 1.85 1.82 -0.11 1.98 -0.21 -1.26 -1.85 119.66 121.88 3a6s s GLN 5 Ca 0.04 -0.79 0.03 0.00 0.02 0.00 0.00 55.36 54.66 3a6s s GLN 5 Cb -0.13 -1.75 -0.00 0.00 1.00 0.00 0.00 33.01 32.13 3a6s s GLN 5 CO -0.07 0.47 -0.22 0.42 -2.12 0.00 0.00 175.29 173.77 3a6s s ILE 6 N -0.51 2.21 -0.19 1.08 -1.09 0.02 -0.78 121.20 121.93 3a6s s ILE 6 Ca 0.08 -0.97 -0.17 0.00 -2.23 0.00 0.00 60.65 57.37 3a6s s ILE 6 Cb -0.09 -1.86 -0.04 0.00 -1.58 0.00 0.00 42.46 38.90 3a6s s ILE 6 CO -0.01 0.55 0.44 0.00 -1.23 0.00 0.00 174.94 174.70 3a6s s ALA 7 N 0.36 3.54 -0.07 9.38 0.00 0.11 -0.70 121.76 134.38 3a6s s ALA 7 Ca -0.17 -0.45 0.05 0.00 0.00 0.00 0.00 51.96 51.39 3a6s s ALA 7 Cb -0.18 -2.68 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 3a6s s ALA 7 CO 0.08 -0.30 -0.24 0.08 0.00 0.00 0.00 175.76 175.38 3a6s s VAL 8 N 1.31 2.02 -0.21 0.00 1.01 0.89 -1.33 120.40 124.10 3a6s s VAL 8 Ca 0.21 -1.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 3a6s s VAL 8 Cb -0.15 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 3a6s s VAL 8 CO 0.09 0.56 0.02 -0.83 0.00 0.00 0.00 175.10 174.94 3a6s s GLY 9 N -0.01 1.75 -0.63 4.51 0.00 -0.45 -0.59 107.32 111.89 3a6s s GLY 9 Ca -0.08 -0.99 -0.09 0.00 0.00 0.00 0.00 44.72 43.56 3a6s s GLY 9 CO 0.05 0.27 0.52 -0.42 0.00 0.00 0.00 173.10 173.52 3a6s s ILE 10 N 1.04 4.58 -0.40 0.90 1.01 0.55 -4.00 121.20 124.89 3a6s s ILE 10 Ca 0.03 -2.31 -0.23 0.00 0.00 0.00 0.00 60.65 58.13 3a6s s ILE 10 Cb -0.14 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.41 3a6s s ILE 10 CO 0.02 -0.89 0.78 -0.63 0.00 0.00 0.00 174.94 174.22 3a6s s ILE 11 N 0.60 4.70 -0.12 2.92 1.01 -1.26 -0.65 121.20 128.40 3a6s s ILE 11 Ca 0.12 0.71 0.02 0.00 0.00 0.00 0.00 60.65 61.50 3a6s s ILE 11 Cb -0.20 -4.25 -0.00 0.00 0.01 0.00 0.00 42.46 38.02 3a6s s ILE 11 CO -0.04 -0.54 -0.18 -0.60 0.00 0.00 0.00 174.94 173.58 3a6s s ARG 12 N 3.17 3.19 0.00 2.79 3.52 -0.79 -1.31 118.95 129.52 3a6s s ARG 12 Ca 0.31 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 55.12 3a6s s ARG 12 Cb -0.13 -2.48 0.00 0.00 -1.56 0.00 0.00 34.95 30.78 3a6s s ARG 12 CO 0.19 0.15 0.00 0.27 -0.81 0.00 0.00 175.30 175.10 3a6s n ASN 13 N 3.66 0.00 0.06 -2.12 0.23 -0.55 -4.57 115.26 111.97 3a6s n ASN 13 Ca -0.19 -0.99 0.11 0.00 -0.53 0.00 0.00 54.58 52.98 3a6s n ASN 13 Cb 0.53 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.68 3a6s n ASN 13 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3a6s n GLU 14 N -0.99 0.11 -0.94 -3.83 1.02 -1.26 -3.29 120.64 111.45 3a6s n GLU 14 Ca 0.00 0.22 -0.07 0.00 -0.02 0.00 0.00 57.16 57.29 3a6s n GLU 14 Cb 0.00 -1.66 0.26 0.00 -0.02 0.00 0.00 31.44 30.01 3a6s n GLU 14 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3a6s n ASN 15 N -1.86 4.06 -3.83 1.62 5.03 -1.26 -4.93 115.26 114.09 3a6s n ASN 15 Ca 0.04 -3.38 -0.29 0.00 0.87 0.00 0.00 54.58 51.83 3a6s n ASN 15 Cb 0.29 -0.72 0.04 0.00 -1.02 0.00 0.00 39.78 38.37 3a6s n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3a6s n ASN 16 N -0.58 -5.08 -4.47 6.41 5.15 -1.21 -4.87 115.26 110.61 3a6s n ASN 16 Ca 0.40 -0.72 -0.31 0.00 -0.60 0.00 0.00 54.58 53.36 3a6s n ASN 16 Cb 1.31 -4.17 -0.12 0.00 -0.53 0.00 0.00 39.78 36.27 3a6s n ASN 16 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3a6s s GLU 17 N -6.53 2.05 0.07 1.20 2.02 -1.26 -1.87 118.70 114.38 3a6s s GLU 17 Ca 0.63 -1.00 0.09 0.00 0.02 0.00 0.00 54.97 54.70 3a6s s GLU 17 Cb -0.31 -2.19 -0.03 0.00 0.10 0.00 0.00 34.13 31.70 3a6s s GLU 17 CO 0.81 0.53 -0.22 0.96 0.02 0.00 0.00 175.26 177.36 3a6s s ILE 18 N -0.96 2.53 -0.38 -1.63 -4.36 0.16 -1.48 121.20 115.06 3a6s s ILE 18 Ca 0.15 -1.41 -0.24 0.00 -0.26 0.00 0.00 60.65 58.89 3a6s s ILE 18 Cb -0.11 -2.08 0.01 0.00 1.25 0.00 0.00 42.46 41.54 3a6s s ILE 18 CO 0.06 0.25 0.84 0.12 0.24 0.00 0.00 174.94 176.46 3a6s s PHE 19 N -0.96 3.07 0.19 1.37 5.36 -0.43 -0.78 117.98 125.80 3a6s s PHE 19 Ca 0.14 0.57 0.07 0.00 -0.96 0.00 0.00 56.93 56.75 3a6s s PHE 19 Cb -0.10 -3.57 -0.05 0.00 -0.34 0.00 0.00 43.02 38.96 3a6s s PHE 19 CO 0.05 -0.83 -0.12 0.96 -1.46 0.00 0.00 175.22 173.82 3a6s s ILE 20 N 3.31 1.57 0.15 3.12 -5.25 -0.10 -4.59 121.20 119.40 3a6s s ILE 20 Ca 0.34 -2.16 0.06 0.00 -0.99 0.00 0.00 60.65 57.90 3a6s s ILE 20 Cb -0.12 -2.02 -0.04 0.00 2.95 0.00 0.00 42.46 43.23 3a6s s ILE 20 CO 0.19 -0.61 0.01 0.42 -1.79 0.00 0.00 174.94 173.16 3a6s s THR 21 N -3.08 3.87 -0.05 8.37 -4.23 0.16 -0.05 115.64 120.63 3a6s s THR 21 Ca 0.21 -1.26 0.03 0.00 -1.18 0.00 0.00 61.69 59.50 3a6s s THR 21 Cb 0.01 -2.92 -0.03 0.00 1.34 0.00 0.00 72.50 70.90 3a6s s THR 21 CO 0.05 -0.04 -0.13 -0.60 -0.54 0.00 0.00 174.62 173.37 3a6s s ARG 22 N -2.75 2.54 0.18 3.99 6.06 -1.26 -0.67 118.95 127.04 3a6s s ARG 22 Ca 0.27 -0.68 -0.02 0.00 -2.50 0.00 0.00 55.73 52.81 3a6s s ARG 22 Cb -0.10 -2.41 -0.05 0.00 0.06 0.00 0.00 34.95 32.45 3a6s s ARG 22 CO 0.19 0.63 0.38 -0.98 -2.50 0.00 0.00 175.30 173.02 3a6s s ARG 23 N -0.77 3.55 0.00 5.12 1.70 -1.08 -5.01 118.95 122.45 3a6s s ARG 23 Ca 0.12 -0.26 0.05 0.00 -0.47 0.00 0.00 55.73 55.17 3a6s s ARG 23 Cb -0.11 -2.85 0.28 0.00 -0.57 0.00 0.00 34.95 31.71 3a6s s ARG 23 CO 0.01 0.43 0.94 0.00 -1.08 0.00 0.00 175.30 175.60 3a6s n ALA 24 N -0.39 1.52 0.00 7.88 0.00 -1.26 -3.66 120.51 124.59 3a6s n ALA 24 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3a6s n ALA 24 Cb 0.53 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3a6s n ALA 24 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3a6s n MET 29 N -1.20 0.00 0.00 0.00 2.00 -1.26 -4.48 117.12 112.18 3a6s n MET 29 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 57.70 57.79 3a6s n MET 29 Cb 0.03 0.00 0.29 0.00 0.00 0.00 0.00 33.22 33.54 3a6s n MET 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3a6s n ALA 30 N 0.00 1.63 -2.24 3.04 0.00 -1.26 -3.33 120.51 118.35 3a6s n ALA 30 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.40 3a6s n ALA 30 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.24 3a6s n ALA 30 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3a6s n ASN 31 N -1.45 0.36 -4.82 0.00 3.02 -1.24 -4.57 115.26 106.56 3a6s n ASN 31 Ca 0.04 -1.92 -0.33 0.00 -0.03 0.00 0.00 54.58 52.34 3a6s n ASN 31 Cb 0.14 -0.17 -0.04 0.00 -0.61 0.00 0.00 39.78 39.10 3a6s n ASN 31 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3a6s s LYS 32 N 0.00 3.92 0.21 3.52 -0.14 -1.21 -4.69 119.74 121.34 3a6s s LYS 32 Ca 0.16 1.17 -0.11 0.00 -1.36 0.00 0.00 55.97 55.84 3a6s s LYS 32 Cb 0.19 -2.12 -0.07 0.00 -1.68 0.00 0.00 37.83 34.14 3a6s s LYS 32 CO -0.08 -0.31 0.55 -0.51 -0.76 0.00 0.00 175.35 174.24 3a6s s LEU 33 N -3.63 4.21 0.09 3.17 1.43 0.18 -2.63 118.68 121.50 3a6s s LEU 33 Ca 0.63 0.95 -0.06 0.00 -1.03 0.00 0.00 54.13 54.63 3a6s s LEU 33 Cb -0.12 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.49 3a6s s LEU 33 CO 0.22 -0.03 0.13 -1.61 0.23 0.00 0.00 176.35 175.28 3a6s s GLU 34 N -2.62 0.83 0.14 1.70 2.02 0.16 -4.08 118.70 116.85 3a6s s GLU 34 Ca 0.45 -1.12 -0.08 0.00 0.02 0.00 0.00 54.97 54.24 3a6s s GLU 34 Cb -0.12 0.30 -0.06 0.00 0.10 0.00 0.00 34.13 34.35 3a6s s GLU 34 CO 0.21 -0.24 0.44 -0.06 0.02 0.00 0.00 175.26 175.62 3a6s s PHE 35 N -3.91 3.51 0.55 1.61 0.08 -1.26 -0.67 117.98 117.88 3a6s s PHE 35 Ca 0.10 0.75 -0.20 0.00 0.12 0.00 0.00 56.93 57.69 3a6s s PHE 35 Cb 0.06 -2.14 -0.05 0.00 -0.57 0.00 0.00 43.02 40.31 3a6s s PHE 35 CO -0.08 0.42 1.19 -2.14 -0.10 0.00 0.00 175.22 174.52 3a6s s PRO 36 N -2.38 3.26 0.00 0.24 0.02 -1.26 -4.86 135.00 130.03 3a6s s PRO 36 Ca 0.39 1.79 0.00 0.00 0.02 0.00 0.00 61.00 63.20 3a6s s PRO 36 Cb -0.13 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.31 3a6s s PRO 36 CO 0.21 -0.97 0.00 0.41 -0.33 0.00 0.00 177.00 176.33 3a6s n GLY 37 N 0.42 0.63 3.82 0.52 0.00 -1.26 -1.35 105.19 107.96 3a6s n GLY 37 Ca 0.11 -0.94 -0.04 0.00 0.00 0.00 0.00 46.02 45.16 3a6s n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a6s s GLY 38 N 0.00 -0.03 0.31 -0.02 0.00 -0.44 -4.97 107.32 102.17 3a6s s GLY 38 Ca 0.00 -0.14 -0.29 0.00 0.00 0.00 0.00 44.72 44.29 3a6s s GLY 38 CO 0.00 1.09 1.25 1.25 0.00 0.00 0.00 173.10 176.69 3a6s s LYS 39 N -2.68 4.43 -0.19 2.90 2.20 -1.26 0.04 119.74 125.18 3a6s s LYS 39 Ca 0.17 2.10 -0.27 0.00 -0.36 0.00 0.00 55.97 57.61 3a6s s LYS 39 Cb -0.02 -3.11 -0.00 0.00 -1.51 0.00 0.00 37.83 33.19 3a6s s LYS 39 CO 0.04 -0.08 0.94 0.42 -0.36 0.00 0.00 175.35 176.30 3a6s s ILE 40 N -1.09 4.79 0.58 5.43 1.01 0.04 -4.82 121.20 127.13 3a6s s ILE 40 Ca 0.48 1.84 -0.09 0.00 0.00 0.00 0.00 60.65 62.88 3a6s s ILE 40 Cb -0.38 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 37.84 3a6s s ILE 40 CO 0.49 -0.06 0.95 -1.61 0.00 0.00 0.00 174.94 174.70 3a6s s GLU 41 N 2.58 3.44 0.32 2.79 0.41 -1.26 -4.72 118.70 122.27 3a6s s GLU 41 Ca 0.42 0.47 -0.29 0.00 -0.41 0.00 0.00 54.97 55.16 3a6s s GLU 41 Cb -0.16 -2.19 -0.10 0.00 -1.78 0.00 0.00 34.13 29.90 3a6s s GLU 41 CO 0.11 -0.51 1.38 1.41 -0.49 0.00 0.00 175.26 177.15 3a6s s MET 42 N -5.04 4.28 0.00 1.61 -2.45 -1.26 -1.97 119.30 114.47 3a6s s MET 42 Ca 0.53 2.32 0.00 0.00 -1.25 0.00 0.00 55.69 57.28 3a6s s MET 42 Cb -0.11 -3.05 0.00 0.00 1.25 0.00 0.00 34.83 32.92 3a6s s MET 42 CO 0.50 -0.32 0.00 0.41 1.05 0.00 0.00 175.02 176.66 3a6s n GLY 43 N 1.02 0.79 3.37 2.11 0.00 -1.26 -5.02 105.19 106.20 3a6s n GLY 43 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3a6s n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a6s s GLU 44 N -0.15 2.48 0.57 1.61 2.12 -0.83 -5.14 118.70 119.35 3a6s s GLU 44 Ca 0.00 -0.81 -0.06 0.00 0.36 0.00 0.00 54.97 54.46 3a6s s GLU 44 Cb 0.00 -2.25 -0.00 0.00 0.26 0.00 0.00 34.13 32.13 3a6s s GLU 44 CO 0.00 0.51 0.88 0.95 -0.54 0.00 0.00 175.26 177.06 3a6s s THR 45 N -0.47 3.96 0.25 -1.70 -4.23 -1.26 -4.71 115.64 107.48 3a6s s THR 45 Ca 0.06 0.06 -0.05 0.00 -1.18 0.00 0.00 61.69 60.58 3a6s s THR 45 Cb -0.12 -3.55 0.24 0.00 1.34 0.00 0.00 72.50 70.41 3a6s s THR 45 CO 0.01 -0.57 1.88 -0.65 -0.54 0.00 0.00 174.62 174.76 3a6s h PRO 46 N -0.08 1.10 -0.40 3.99 0.11 -1.99 0.00 132.00 134.73 3a6s h PRO 46 Ca -0.46 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 3a6s h PRO 46 Cb 1.24 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 3a6s h PRO 46 CO 0.61 0.73 -0.13 0.93 -0.21 0.00 0.00 178.00 179.93 3a6s h GLU 47 N 1.13 0.79 -0.47 1.05 3.07 -2.00 -2.39 114.58 115.77 3a6s h GLU 47 Ca 0.38 -0.32 -0.05 0.00 -0.50 0.00 0.00 59.36 58.87 3a6s h GLU 47 Cb 0.07 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 3a6s h GLU 47 CO -0.14 0.94 0.08 1.96 -1.40 0.00 0.00 179.01 180.44 3a6s h GLN 48 N 0.61 0.73 -0.40 2.33 4.20 -1.82 -2.72 115.11 118.03 3a6s h GLN 48 Ca 0.10 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 3a6s h GLN 48 Cb 0.67 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 3a6s h GLN 48 CO 0.05 0.69 0.08 0.00 -0.67 0.00 0.00 178.83 178.98 3a6s h ALA 49 N 1.38 0.53 -0.09 3.87 0.00 -0.82 -0.90 119.26 123.24 3a6s h ALA 49 Ca 0.15 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3a6s h ALA 49 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3a6s h ALA 49 CO 0.00 0.23 -0.38 -0.24 0.00 0.00 0.00 179.25 178.86 3a6s h VAL 50 N 0.51 1.29 -0.06 0.00 3.04 -1.31 0.59 116.25 120.31 3a6s h VAL 50 Ca 0.12 -1.42 -0.02 0.00 -1.01 0.00 0.00 66.70 64.37 3a6s h VAL 50 Cb 0.34 1.65 -0.00 0.00 -2.01 0.00 0.00 31.29 31.28 3a6s h VAL 50 CO 0.00 0.42 -0.03 0.58 -1.01 0.00 0.00 177.57 177.53 3a6s h VAL 51 N 0.16 1.33 -0.29 1.51 2.07 -1.31 -2.11 116.25 117.61 3a6s h VAL 51 Ca 0.02 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 3a6s h VAL 51 Cb 0.75 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 3a6s h VAL 51 CO 0.06 0.29 0.11 -0.09 0.02 0.00 0.00 177.57 177.96 3a6s h ARG 52 N -0.26 0.43 -0.97 1.57 2.43 -1.01 -0.77 114.38 115.80 3a6s h ARG 52 Ca 0.01 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3a6s h ARG 52 Cb 0.49 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.91 3a6s h ARG 52 CO 0.01 0.46 0.64 0.93 -1.51 0.00 0.00 179.97 180.49 3a6s h GLU 53 N 0.32 1.21 -0.05 0.20 4.39 -0.91 0.10 114.58 119.84 3a6s h GLU 53 Ca 0.10 -0.07 -0.17 0.00 0.34 0.00 0.00 59.36 59.55 3a6s h GLU 53 Cb 0.19 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3a6s h GLU 53 CO -0.01 0.80 -0.73 -0.07 -1.16 0.00 0.00 179.01 177.84 3a6s h LEU 54 N 1.24 0.33 -0.38 1.33 4.07 -1.19 -0.57 115.31 120.15 3a6s h LEU 54 Ca 0.38 -0.22 -0.04 0.00 0.08 0.00 0.00 57.88 58.08 3a6s h LEU 54 Cb -0.02 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 3a6s h LEU 54 CO -0.12 0.95 0.07 1.56 -1.08 0.00 0.00 178.44 179.83 3a6s h GLN 55 N 0.18 0.62 -0.02 1.13 4.20 -0.60 0.28 115.11 120.90 3a6s h GLN 55 Ca -0.03 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 3a6s h GLN 55 Cb 1.30 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 29.00 3a6s h GLN 55 CO 0.12 0.67 -0.01 0.93 -0.67 0.00 0.00 178.83 179.86 3a6s h GLU 56 N 0.47 0.04 0.00 1.46 5.08 -0.90 -2.78 114.58 117.96 3a6s h GLU 56 Ca 0.12 -0.02 -0.23 0.00 -1.00 0.00 0.00 59.36 58.23 3a6s h GLU 56 Cb 0.34 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 3a6s h GLU 56 CO 0.01 0.49 -1.47 1.49 -1.00 0.00 0.00 179.01 178.52 3a6s h GLU 57 N -0.40 0.00 0.00 2.33 4.81 -1.17 -3.41 114.58 116.74 3a6s h GLU 57 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3a6s h GLU 57 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3a6s h GLU 57 CO 0.00 0.46 -1.05 0.28 -0.73 0.00 0.00 179.01 177.98 3a6s n VAL 58 N -3.02 0.00 -1.03 0.32 0.31 -0.27 -3.39 118.33 111.25 3a6s n VAL 58 Ca -0.12 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 3a6s n VAL 58 Cb 0.95 0.49 0.00 0.00 -0.91 0.00 0.00 33.84 34.37 3a6s n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a6s n GLY 59 N 2.07 0.55 3.28 2.92 0.00 -0.07 -1.51 105.19 112.42 3a6s n GLY 59 Ca -0.01 -0.84 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 3a6s n GLY 59 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a6s s ILE 60 N -2.00 1.47 -0.33 -0.61 -4.36 -1.14 -3.89 121.20 110.34 3a6s s ILE 60 Ca 0.00 -1.92 -0.02 0.00 -0.26 0.00 0.00 60.65 58.45 3a6s s ILE 60 Cb 0.00 -1.75 0.07 0.00 1.25 0.00 0.00 42.46 42.03 3a6s s ILE 60 CO 0.00 -0.50 0.06 -0.89 0.24 0.00 0.00 174.94 173.85 3a6s s THR 61 N -2.53 3.08 0.27 8.37 2.01 -0.17 -2.35 115.64 124.32 3a6s s THR 61 Ca 0.14 -1.58 -0.30 0.00 0.31 0.00 0.00 61.69 60.26 3a6s s THR 61 Cb -0.03 -2.88 -0.11 0.00 0.01 0.00 0.00 72.50 69.49 3a6s s THR 61 CO 0.04 -0.28 1.59 -2.84 -0.69 0.00 0.00 174.62 172.44 3a6s s PRO 62 N 1.22 4.14 -0.06 4.92 0.02 -1.26 -1.27 135.00 142.71 3a6s s PRO 62 Ca -0.01 2.54 -0.02 0.00 0.02 0.00 0.00 61.00 63.53 3a6s s PRO 62 Cb -0.20 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.24 3a6s s PRO 62 CO -0.02 -0.62 -0.07 1.04 -0.33 0.00 0.00 177.00 177.00 3a6s n GLN 63 N 2.54 0.13 -3.92 5.54 6.02 0.46 -4.91 117.38 123.23 3a6s n GLN 63 Ca 0.09 0.05 -0.35 0.00 -0.01 0.00 0.00 57.00 56.78 3a6s n GLN 63 Cb 0.37 -0.87 -0.14 0.00 1.02 0.00 0.00 30.24 30.63 3a6s n GLN 63 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3a6s s HIS 64 N -2.11 3.18 0.14 1.08 5.04 -0.67 -4.99 115.29 116.97 3a6s s HIS 64 Ca -0.08 -1.72 -0.14 0.00 -1.54 0.00 0.00 55.06 51.57 3a6s s HIS 64 Cb 0.03 -2.09 0.02 0.00 0.04 0.00 0.00 32.58 30.58 3a6s s HIS 64 CO 0.12 -0.77 0.38 -0.59 -2.34 0.00 0.00 174.74 171.54 3a6s s PHE 65 N 1.29 -0.05 0.08 3.88 -0.71 -1.26 -1.49 117.98 119.72 3a6s s PHE 65 Ca -0.03 -0.29 -0.12 0.00 -1.04 0.00 0.00 56.93 55.45 3a6s s PHE 65 Cb -0.18 0.20 0.01 0.00 -1.21 0.00 0.00 43.02 41.84 3a6s s PHE 65 CO -0.02 -0.73 0.27 -1.54 -1.34 0.00 0.00 175.22 171.86 3a6s s SER 66 N -2.85 -0.04 -0.12 1.98 1.04 -0.86 -4.97 113.70 107.88 3a6s s SER 66 Ca 0.07 -0.42 -0.29 0.00 0.48 0.00 0.00 55.95 55.79 3a6s s SER 66 Cb 0.02 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 3a6s s SER 66 CO -0.08 -0.71 1.44 -0.22 0.98 0.00 0.00 173.24 174.65 3a6s s LEU 67 N -2.55 4.23 -0.18 2.42 2.96 -1.26 -0.64 118.68 123.65 3a6s s LEU 67 Ca 0.01 1.92 -0.03 0.00 -0.22 0.00 0.00 54.13 55.81 3a6s s LEU 67 Cb 0.02 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.95 3a6s s LEU 67 CO -0.08 -0.85 0.10 0.33 -1.32 0.00 0.00 176.35 174.53 3a6s n PHE 68 N 6.88 0.70 -3.51 5.38 7.35 0.80 -4.88 117.46 130.18 3a6s n PHE 68 Ca 0.15 0.15 -0.16 0.00 -0.76 0.00 0.00 57.45 56.83 3a6s n PHE 68 Cb 0.44 -1.09 -0.05 0.00 0.35 0.00 0.00 39.48 39.13 3a6s n PHE 68 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 3a6s s GLU 69 N -2.54 1.10 -0.10 -4.13 2.56 -1.07 -5.02 118.70 109.50 3a6s s GLU 69 Ca -0.28 0.01 -0.03 0.00 0.00 0.00 0.00 54.97 54.67 3a6s s GLU 69 Cb 0.08 0.51 0.04 0.00 2.00 0.00 0.00 34.13 36.76 3a6s s GLU 69 CO 0.69 -0.39 0.06 0.21 -0.56 0.00 0.00 175.26 175.28 3a6s s LYS 70 N -1.97 0.11 -0.09 4.30 2.20 -1.26 -0.86 119.74 122.17 3a6s s LYS 70 Ca -0.07 0.13 -0.00 0.00 -0.36 0.00 0.00 55.97 55.66 3a6s s LYS 70 Cb -0.00 -1.14 -0.03 0.00 -1.51 0.00 0.00 37.83 35.15 3a6s s LYS 70 CO 0.03 -0.47 -0.06 -0.51 -0.36 0.00 0.00 175.35 173.99 3a6s s LEU 71 N 2.11 3.23 -0.01 5.43 1.43 -0.61 -4.96 118.68 125.30 3a6s s LEU 71 Ca 0.04 -0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.16 3a6s s LEU 71 Cb -0.14 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 3a6s s LEU 71 CO -0.06 0.33 -0.16 -1.61 0.23 0.00 0.00 176.35 175.08 3a6s s GLU 72 N -0.58 2.30 -0.05 1.70 0.41 -1.26 -0.76 118.70 120.45 3a6s s GLU 72 Ca 0.09 -0.83 -0.00 0.00 -0.41 0.00 0.00 54.97 53.82 3a6s s GLU 72 Cb -0.12 -2.28 0.03 0.00 -1.78 0.00 0.00 34.13 29.98 3a6s s GLU 72 CO 0.02 0.58 -0.02 0.71 -0.49 0.00 0.00 175.26 176.07 3a6s s TYR 73 N -0.81 0.64 -0.34 1.61 2.02 0.21 -4.99 117.35 115.68 3a6s s TYR 73 Ca 0.13 -0.16 -0.04 0.00 -0.37 0.00 0.00 57.07 56.63 3a6s s TYR 73 Cb -0.11 -0.68 0.06 0.00 -0.40 0.00 0.00 41.96 40.83 3a6s s TYR 73 CO 0.03 -0.24 0.09 -1.21 -1.57 0.00 0.00 175.55 172.64 3a6s s GLU 74 N 1.37 2.45 0.31 -0.62 2.02 -1.26 -0.44 118.70 122.53 3a6s s GLU 74 Ca -0.04 -1.33 0.10 0.00 0.02 0.00 0.00 54.97 53.72 3a6s s GLU 74 Cb -0.13 -3.38 -0.05 0.00 0.10 0.00 0.00 34.13 30.66 3a6s s GLU 74 CO -0.02 -0.72 -0.06 -0.06 0.02 0.00 0.00 175.26 174.41 3a6s s PHE 75 N 1.30 2.49 -0.09 1.61 0.08 -0.14 -5.04 117.98 118.20 3a6s s PHE 75 Ca -0.01 -0.37 -0.35 0.00 0.12 0.00 0.00 56.93 56.32 3a6s s PHE 75 Cb -0.20 -1.28 -0.12 0.00 -0.57 0.00 0.00 43.02 40.85 3a6s s PHE 75 CO 0.00 0.59 1.86 -2.30 -0.10 0.00 0.00 175.22 175.26 3a6s n PRO 76 N -0.83 2.10 -1.03 0.24 -0.02 -1.26 -1.38 135.00 132.82 3a6s n PRO 76 Ca -0.05 0.77 -0.01 0.00 -2.02 0.00 0.00 63.50 62.19 3a6s n PRO 76 Cb 0.61 -2.60 -0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3a6s n PRO 76 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3a6s n ASP 77 N 6.38 -4.85 -3.72 2.55 4.64 -1.26 -4.97 116.55 115.31 3a6s n ASP 77 Ca 0.23 0.03 -0.12 0.00 -1.38 0.00 0.00 54.79 53.55 3a6s n ASP 77 Cb 0.28 -2.45 -0.11 0.00 -1.04 0.00 0.00 41.12 37.80 3a6s n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3a6s s ARG 78 N -1.42 0.36 -0.14 -0.67 1.81 -0.48 -2.28 118.95 116.13 3a6s s ARG 78 Ca 0.00 0.62 0.02 0.00 -1.72 0.00 0.00 55.73 54.64 3a6s s ARG 78 Cb 0.00 0.04 0.00 0.00 -0.45 0.00 0.00 34.95 34.54 3a6s s ARG 78 CO 0.00 -0.12 -0.19 -1.58 -0.68 0.00 0.00 175.30 172.73 3a6s s HIS 79 N 0.90 2.71 -0.12 -0.53 5.65 -0.79 -0.97 115.29 122.16 3a6s s HIS 79 Ca -0.06 -1.14 -0.02 0.00 0.25 0.00 0.00 55.06 54.09 3a6s s HIS 79 Cb -0.07 -1.84 -0.03 0.00 -1.18 0.00 0.00 32.58 29.47 3a6s s HIS 79 CO -0.07 -0.51 -0.04 0.42 -0.65 0.00 0.00 174.74 173.89 3a6s s ILE 80 N 0.74 3.90 -0.08 0.89 -1.09 0.42 -1.53 121.20 124.45 3a6s s ILE 80 Ca -0.08 -0.38 0.01 0.00 -2.23 0.00 0.00 60.65 57.98 3a6s s ILE 80 Cb -0.16 -2.66 0.02 0.00 -1.58 0.00 0.00 42.46 38.07 3a6s s ILE 80 CO 0.01 0.54 -0.11 -0.89 -1.23 0.00 0.00 174.94 173.26 3a6s s THR 81 N -0.18 1.11 -0.25 2.92 2.01 -0.77 -0.62 115.64 119.86 3a6s s THR 81 Ca 0.03 -0.43 -0.07 0.00 0.31 0.00 0.00 61.69 61.53 3a6s s THR 81 Cb -0.13 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.31 3a6s s THR 81 CO 0.02 0.36 0.07 -0.76 -0.69 0.00 0.00 174.62 173.62 3a6s s LEU 82 N 0.96 3.44 -0.37 4.42 1.43 0.06 -0.80 118.68 127.81 3a6s s LEU 82 Ca -0.09 -0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 52.71 3a6s s LEU 82 Cb -0.15 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.18 3a6s s LEU 82 CO 0.00 -0.02 0.20 0.26 0.23 0.00 0.00 176.35 177.01 3a6s s TRP 83 N 1.56 3.25 -0.30 0.29 0.52 0.13 -1.57 118.94 122.81 3a6s s TRP 83 Ca 0.06 -1.07 -0.15 0.00 0.02 0.00 0.00 56.10 54.96 3a6s s TRP 83 Cb -0.15 -2.45 -0.03 0.00 -1.15 0.00 0.00 33.47 29.70 3a6s s TRP 83 CO 0.03 -0.68 0.35 -0.06 0.02 0.00 0.00 176.95 176.62 3a6s s PHE 84 N 1.52 3.23 -0.15 -1.98 0.08 -0.04 -0.07 117.98 120.56 3a6s s PHE 84 Ca 0.01 0.19 -0.04 0.00 0.12 0.00 0.00 56.93 57.21 3a6s s PHE 84 Cb -0.19 -2.60 -0.03 0.00 -0.57 0.00 0.00 43.02 39.62 3a6s s PHE 84 CO 0.06 -0.31 -0.01 -1.58 -0.10 0.00 0.00 175.22 173.28 3a6s s TRP 85 N 2.02 3.09 -0.37 0.36 0.52 0.24 -0.14 118.94 124.66 3a6s s TRP 85 Ca 0.13 -0.16 -0.22 0.00 0.02 0.00 0.00 56.10 55.87 3a6s s TRP 85 Cb -0.16 -1.97 0.01 0.00 -1.15 0.00 0.00 33.47 30.20 3a6s s TRP 85 CO 0.11 0.06 0.71 -1.17 0.02 0.00 0.00 176.95 176.68 3a6s s LEU 86 N 0.24 4.22 -0.33 2.99 2.96 0.18 -0.33 118.68 128.60 3a6s s LEU 86 Ca -0.01 0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 53.98 3a6s s LEU 86 Cb -0.13 -2.89 -0.00 0.00 0.50 0.00 0.00 46.19 43.66 3a6s s LEU 86 CO 0.02 -0.68 0.19 -0.69 -1.32 0.00 0.00 176.35 173.87 3a6s s VAL 87 N 2.91 4.79 -0.08 1.68 1.01 0.18 -2.03 120.40 128.86 3a6s s VAL 87 Ca 0.27 -0.44 0.14 0.00 0.00 0.00 0.00 61.98 61.95 3a6s s VAL 87 Cb -0.14 -3.49 -0.22 0.00 0.00 0.00 0.00 36.38 32.54 3a6s s VAL 87 CO 0.16 -0.01 0.34 -0.62 0.00 0.00 0.00 175.10 174.97 3a6s n GLU 88 N 5.02 0.62 -3.85 2.72 1.02 -0.55 -1.89 120.64 123.73 3a6s n GLU 88 Ca -0.13 -0.12 -0.12 0.00 -0.02 0.00 0.00 57.16 56.77 3a6s n GLU 88 Cb 0.49 -1.32 -0.13 0.00 -0.02 0.00 0.00 31.44 30.45 3a6s n GLU 88 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3a6s s ARG 89 N -2.93 0.09 0.26 3.49 3.00 -1.13 -4.93 118.95 116.79 3a6s s ARG 89 Ca -0.04 0.09 -0.19 0.00 -1.00 0.00 0.00 55.73 54.59 3a6s s ARG 89 Cb 0.09 0.04 0.02 0.00 0.00 0.00 0.00 34.95 35.10 3a6s s ARG 89 CO 0.59 -0.01 0.64 1.67 0.00 0.00 0.00 175.30 178.19 3a6s s TRP 90 N 0.03 -0.05 -0.10 5.12 -2.14 -1.26 -0.40 118.94 120.13 3a6s s TRP 90 Ca -0.00 -0.36 -0.04 0.00 2.66 0.00 0.00 56.10 58.36 3a6s s TRP 90 Cb -0.01 0.55 -0.04 0.00 -3.10 0.00 0.00 33.47 30.88 3a6s s TRP 90 CO 0.00 -1.14 0.05 -2.00 -2.66 0.00 0.00 176.95 171.20 3a6s s GLU 91 N -3.94 3.19 0.04 3.25 2.12 -0.40 -4.91 118.70 118.06 3a6s s GLU 91 Ca 0.13 -0.32 0.00 0.00 0.36 0.00 0.00 54.97 55.15 3a6s s GLU 91 Cb -0.04 -2.94 0.00 0.00 0.26 0.00 0.00 34.13 31.41 3a6s s GLU 91 CO 0.06 0.70 0.00 0.41 -0.54 0.00 0.00 175.26 175.89 3a6s n GLY 92 N 2.19 -3.09 2.83 -1.50 0.00 -1.26 -0.99 105.19 103.36 3a6s n GLY 92 Ca -0.19 -2.03 -0.23 0.00 0.00 0.00 0.00 46.02 43.57 3a6s n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a6s s GLU 93 N -0.55 0.81 0.25 1.61 2.56 -1.25 -4.95 118.70 117.18 3a6s s GLU 93 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 54.97 54.65 3a6s s GLU 93 Cb 0.00 -1.02 -0.12 0.00 2.00 0.00 0.00 34.13 34.99 3a6s s GLU 93 CO 0.00 -0.23 1.59 -2.30 -0.56 0.00 0.00 175.26 173.77 3a6s n PRO 94 N 4.77 2.54 -3.85 4.30 -0.02 -1.26 -4.70 135.00 136.77 3a6s n PRO 94 Ca -0.13 0.91 -0.09 0.00 -2.02 0.00 0.00 63.50 62.16 3a6s n PRO 94 Cb 0.50 -2.68 0.01 0.00 -0.02 0.00 0.00 33.50 31.31 3a6s n PRO 94 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3a6s s TRP 95 N 0.37 0.15 -1.47 6.00 1.48 -0.57 -4.99 118.94 119.91 3a6s s TRP 95 Ca 0.69 -0.73 -0.11 0.00 -1.06 0.00 0.00 56.10 54.89 3a6s s TRP 95 Cb -0.55 0.71 0.03 0.00 -1.16 0.00 0.00 33.47 32.50 3a6s s TRP 95 CO 0.44 -1.44 2.40 0.41 -4.06 0.00 0.00 176.95 174.69 3a6s n GLY 96 N -0.51 4.51 0.38 3.67 0.00 -1.26 -4.33 105.19 107.65 3a6s n GLY 96 Ca -0.06 -1.70 0.15 0.00 0.00 0.00 0.00 46.02 44.41 3a6s n GLY 96 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3a6s h LYS 97 N 5.52 0.48 -0.50 1.61 3.64 -1.82 -1.99 116.57 123.51 3a6s h LYS 97 Ca 0.64 -0.03 -0.36 0.00 -1.27 0.00 0.00 60.65 59.64 3a6s h LYS 97 Cb 0.50 -0.11 -0.26 0.00 -0.41 0.00 0.00 32.23 31.95 3a6s h LYS 97 CO 1.78 0.32 -0.58 0.39 -2.27 0.00 0.00 179.45 179.08 3a6s n GLU 98 N -4.51 2.80 -0.67 1.90 -0.58 -1.26 -4.91 120.64 113.41 3a6s n GLU 98 Ca 0.16 -3.78 0.00 0.00 -0.42 0.00 0.00 57.16 53.12 3a6s n GLU 98 Cb 0.55 -2.04 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 3a6s n GLU 98 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a6s n GLY 99 N -0.88 0.74 2.80 0.62 0.00 -0.75 -4.99 105.19 102.73 3a6s n GLY 99 Ca 0.36 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.03 3a6s n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6s n GLN 100 N -2.36 3.45 -1.75 1.61 0.00 -1.25 -5.03 117.38 112.05 3a6s n GLN 100 Ca 0.00 -4.59 -0.42 0.00 0.00 0.00 0.00 57.00 51.99 3a6s n GLN 100 Cb 0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 30.24 27.81 3a6s n GLN 100 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 3a6s s PRO 101 N -2.46 4.14 0.18 2.61 0.02 -1.26 -4.18 135.00 134.05 3a6s s PRO 101 Ca 0.34 2.58 0.02 0.00 0.02 0.00 0.00 61.00 63.96 3a6s s PRO 101 Cb 0.07 -3.15 0.02 0.00 0.02 0.00 0.00 34.50 31.46 3a6s s PRO 101 CO 0.03 -0.75 0.17 0.41 -0.33 0.00 0.00 177.00 176.53 3a6s n GLY 102 N 3.99 2.65 3.28 0.52 0.00 -1.26 -4.53 105.19 109.83 3a6s n GLY 102 Ca 0.16 -2.20 -0.13 0.00 0.00 0.00 0.00 46.02 43.85 3a6s n GLY 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3a6s s GLU 103 N -2.78 0.79 -0.18 1.61 -1.05 0.93 -4.92 118.70 113.09 3a6s s GLU 103 Ca 0.13 -0.28 -0.23 0.00 -0.15 0.00 0.00 54.97 54.44 3a6s s GLU 103 Cb -0.01 0.35 -0.02 0.00 -0.44 0.00 0.00 34.13 34.01 3a6s s GLU 103 CO 0.08 -0.24 0.74 -1.58 0.95 0.00 0.00 175.26 175.21 3a6s s TRP 104 N -1.90 3.40 -0.09 4.83 0.52 -1.26 -0.93 118.94 123.51 3a6s s TRP 104 Ca -0.09 1.11 0.04 0.00 0.02 0.00 0.00 56.10 57.17 3a6s s TRP 104 Cb -0.03 -2.92 0.00 0.00 -1.15 0.00 0.00 33.47 29.38 3a6s s TRP 104 CO 0.01 -0.21 -0.22 -1.64 0.02 0.00 0.00 176.95 174.91 3a6s s MET 105 N 2.03 2.80 0.41 4.98 -1.94 0.04 -4.87 119.30 122.75 3a6s s MET 105 Ca 0.34 -0.81 -0.25 0.00 -1.71 0.00 0.00 55.69 53.26 3a6s s MET 105 Cb -0.16 -2.15 -0.08 0.00 2.01 0.00 0.00 34.83 34.45 3a6s s MET 105 CO 0.11 0.17 1.20 0.45 -0.01 0.00 0.00 175.02 176.94 3a6s s SER 106 N 0.36 6.42 0.35 3.03 0.15 -1.26 -0.67 113.70 122.08 3a6s s SER 106 Ca -0.17 2.41 0.17 0.00 0.70 0.00 0.00 55.95 59.05 3a6s s SER 106 Cb -0.17 -2.62 0.63 0.00 -1.71 0.00 0.00 66.02 62.14 3a6s s SER 106 CO 0.08 -0.75 1.72 -0.07 1.20 0.00 0.00 173.24 175.42 3a6s h LEU 107 N 2.56 0.00 -1.63 3.45 3.38 -1.71 -2.97 115.31 118.40 3a6s h LEU 107 Ca -0.49 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 3a6s h LEU 107 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 3a6s h LEU 107 CO 0.62 0.42 -0.11 -0.37 0.09 0.00 0.00 178.44 179.10 3a6s h VAL 108 N 0.00 1.12 -0.32 1.22 -1.51 -1.92 -2.73 116.25 112.11 3a6s h VAL 108 Ca -0.00 -0.54 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 3a6s h VAL 108 Cb 0.91 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 3a6s h VAL 108 CO 0.06 0.16 0.00 0.61 -1.23 0.00 0.00 177.57 177.17 3a6s n GLY 109 N -1.09 1.57 3.82 5.19 0.00 -1.13 -4.98 105.19 108.57 3a6s n GLY 109 Ca -0.02 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 3a6s n GLY 109 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a6s s LEU 110 N -1.39 4.50 -0.06 0.99 1.43 -1.03 -5.02 118.68 118.10 3a6s s LEU 110 Ca 0.33 1.23 0.05 0.00 -1.03 0.00 0.00 54.13 54.71 3a6s s LEU 110 Cb 0.20 -2.93 -0.01 0.00 0.03 0.00 0.00 46.19 43.48 3a6s s LEU 110 CO 0.28 0.26 -0.22 0.21 0.23 0.00 0.00 176.35 177.10 3a6s s ASN 111 N -1.19 2.73 0.49 2.29 2.47 -1.26 -5.01 114.94 115.47 3a6s s ASN 111 Ca 0.30 -0.46 0.21 0.00 0.42 0.00 0.00 52.86 53.33 3a6s s ASN 111 Cb -0.19 -0.85 1.26 0.00 -1.45 0.00 0.00 41.25 40.03 3a6s s ASN 111 CO 0.19 0.19 1.99 0.00 -3.72 0.00 0.00 177.10 175.75 3a6s h ALA 112 N 6.26 2.32 0.00 1.71 0.00 -1.95 0.13 119.26 127.73 3a6s h ALA 112 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3a6s h ALA 112 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3a6s h ALA 112 CO 0.47 -0.47 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 3a6s n ASP 113 N -4.42 0.55 -0.01 0.00 8.00 -1.26 -1.08 116.55 118.34 3a6s n ASP 113 Ca 0.10 0.70 0.14 0.00 0.71 0.00 0.00 54.79 56.44 3a6s n ASP 113 Cb 0.52 -0.80 0.55 0.00 -0.02 0.00 0.00 41.12 41.38 3a6s n ASP 113 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3a6s n ASP 114 N -2.19 0.14 -4.59 -2.24 10.43 0.03 -4.82 116.55 113.31 3a6s n ASP 114 Ca 0.00 0.20 -0.25 0.00 2.57 0.00 0.00 54.79 57.32 3a6s n ASP 114 Cb 0.11 -0.29 -0.08 0.00 1.84 0.00 0.00 41.12 42.70 3a6s n ASP 114 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 3a6s s PHE 115 N -2.92 2.62 0.66 1.24 0.40 -0.24 0.51 117.98 120.26 3a6s s PHE 115 Ca 0.16 -0.23 -0.17 0.00 -0.60 0.00 0.00 56.93 56.08 3a6s s PHE 115 Cb 0.19 -1.21 0.00 0.00 0.51 0.00 0.00 43.02 42.51 3a6s s PHE 115 CO 0.56 0.59 1.26 -2.14 0.70 0.00 0.00 175.22 176.18 3a6s s PRO 116 N -3.31 2.48 0.44 0.24 0.02 -1.26 -4.88 135.00 128.74 3a6s s PRO 116 Ca 0.29 1.95 0.27 0.00 0.02 0.00 0.00 61.00 63.52 3a6s s PRO 116 Cb -0.07 -1.85 1.32 0.00 0.02 0.00 0.00 34.50 33.92 3a6s s PRO 116 CO 0.17 -1.62 1.69 -1.00 -0.33 0.00 0.00 177.00 175.92 3a6s h PRO 117 N 0.35 0.19 -0.37 5.54 0.13 -1.95 -2.23 132.00 133.67 3a6s h PRO 117 Ca -0.50 -0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.72 3a6s h PRO 117 Cb 1.32 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 3a6s h PRO 117 CO 0.52 0.12 0.26 0.00 -0.23 0.00 0.00 178.00 178.68 3a6s h ALA 118 N 1.57 2.28 0.00 -0.56 0.00 -1.98 -1.96 119.26 118.61 3a6s h ALA 118 Ca 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.61 3a6s h ALA 118 Cb 2.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.97 3a6s h ALA 118 CO -0.32 -0.38 0.00 0.09 0.00 0.00 0.00 179.25 178.64 3a6s n ASN 119 N -4.44 0.12 -0.23 0.00 3.02 -0.84 -4.40 115.26 108.49 3a6s n ASN 119 Ca 0.06 0.51 -0.07 0.00 -0.03 0.00 0.00 54.58 55.05 3a6s n ASN 119 Cb 0.41 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 39.01 3a6s n ASN 119 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3a6s h GLU 120 N 0.00 -0.18 0.00 3.52 4.22 -1.53 -0.75 114.58 119.86 3a6s h GLU 120 Ca 0.00 0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.43 3a6s h GLU 120 Cb 0.48 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 3a6s h GLU 120 CO 0.00 -0.12 -0.11 -1.00 -2.18 0.00 0.00 179.01 175.60 3a6s h PRO 121 N -0.18 0.00 -0.10 0.92 0.13 -1.84 -1.83 132.00 129.10 3a6s h PRO 121 Ca 0.20 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.16 3a6s h PRO 121 Cb 0.56 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.70 3a6s h PRO 121 CO -0.73 0.11 -0.62 0.28 -0.23 0.00 0.00 178.00 176.81 3a6s h VAL 122 N 0.00 1.34 -0.42 1.56 2.07 -1.47 -2.69 116.25 116.65 3a6s h VAL 122 Ca -0.00 -1.92 -0.07 0.00 0.82 0.00 0.00 66.70 65.53 3a6s h VAL 122 Cb 0.23 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 3a6s h VAL 122 CO 0.01 0.58 -0.02 0.40 0.02 0.00 0.00 177.57 178.57 3a6s h ILE 123 N 0.23 1.26 -0.57 4.57 1.08 -0.95 -0.99 117.51 122.15 3a6s h ILE 123 Ca -0.05 -1.06 0.05 0.00 -0.39 0.00 0.00 64.86 63.42 3a6s h ILE 123 Cb 1.27 1.12 -0.05 0.00 -3.07 0.00 0.00 36.82 36.09 3a6s h ILE 123 CO 0.13 0.36 0.29 0.00 -0.69 0.00 0.00 178.15 178.24 3a6s h ALA 124 N 0.88 0.74 -0.48 1.87 0.00 -1.40 -0.60 119.26 120.28 3a6s h ALA 124 Ca 0.12 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3a6s h ALA 124 Cb 0.51 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3a6s h ALA 124 CO 0.02 -0.05 0.02 -0.22 0.00 0.00 0.00 179.25 179.02 3a6s h LYS 125 N 0.56 0.84 -0.91 0.00 3.64 -1.30 -2.69 116.57 116.70 3a6s h LYS 125 Ca 0.25 -0.26 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3a6s h LYS 125 Cb 0.17 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 3a6s h LYS 125 CO -0.18 0.87 0.59 -0.07 -2.27 0.00 0.00 179.45 178.40 3a6s h LEU 126 N 0.70 1.06 0.00 5.20 3.38 -0.55 -2.50 115.31 122.60 3a6s h LEU 126 Ca 0.14 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3a6s h LEU 126 Cb 0.49 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3a6s h LEU 126 CO 0.02 0.78 0.00 0.29 0.09 0.00 0.00 178.44 179.62 3a6s n LYS 127 N -4.39 0.11 0.00 1.13 5.02 -0.29 -4.51 118.16 115.24 3a6s n LYS 127 Ca 0.10 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3a6s n LYS 127 Cb 0.03 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 3a6s n LYS 127 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3a6s n ARG 128 N -1.44 0.00 -0.44 1.97 1.74 -0.94 -5.08 116.66 112.46 3a6s n ARG 128 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 3a6s n ARG 128 Cb 0.30 -0.12 0.00 0.00 -1.02 0.00 0.00 32.46 31.63 3a6s n ARG 128 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58