#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a1a h HIS 4 N 0.00 0.62 -4.11 0.66 3.86 -1.97 -3.45 115.15 110.76 2a1a h HIS 4 Ca 0.00 -0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.98 2a1a h HIS 4 Cb 0.00 -0.20 -0.09 0.00 1.06 0.00 0.00 27.41 28.17 2a1a h HIS 4 CO 0.00 0.43 -0.24 0.00 0.86 0.00 0.00 177.93 178.98 2a1a s ARG 6 N -3.41 4.16 0.30 0.00 1.70 -1.26 -4.45 118.95 115.99 2a1a s ARG 6 Ca 0.30 1.04 0.21 0.00 -0.47 0.00 0.00 55.73 56.81 2a1a s ARG 6 Cb 0.01 -2.21 0.14 0.00 -0.57 0.00 0.00 34.95 32.32 2a1a s ARG 6 CO 0.17 -0.04 1.33 0.74 -1.08 0.00 0.00 175.30 176.42 2a1a h PHE 7 N 1.82 0.00 -2.69 5.89 0.04 -1.71 -3.48 116.94 116.81 2a1a h PHE 7 Ca -0.49 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 59.77 2a1a h PHE 7 Cb 1.18 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.18 2a1a h PHE 7 CO 0.62 0.15 -0.75 0.71 -0.60 0.00 0.00 178.31 178.44 2a1a s TYR 8 N -3.18 1.93 0.10 -0.55 4.12 -1.26 -4.97 117.35 113.53 2a1a s TYR 8 Ca 0.03 -0.48 -0.27 0.00 0.02 0.00 0.00 57.07 56.37 2a1a s TYR 8 Cb 0.07 -0.88 -0.10 0.00 -1.52 0.00 0.00 41.96 39.53 2a1a s TYR 8 CO 0.73 0.48 1.45 1.49 0.02 0.00 0.00 175.55 179.73 2a1a h GLU 9 N 2.53 -0.42 -6.72 -0.62 4.81 -1.94 -3.42 114.58 108.80 2a1a h GLU 9 Ca -0.39 0.03 -0.56 0.00 -0.13 0.00 0.00 59.36 58.31 2a1a h GLU 9 Cb 1.23 0.10 0.09 0.00 0.63 0.00 0.00 28.75 30.80 2a1a h GLU 9 CO 0.60 -0.28 0.73 0.27 -0.73 0.00 0.00 179.01 179.60 2a1a n ASN 10 N -4.90 3.33 0.07 1.04 6.94 -1.26 -4.92 115.26 115.56 2a1a n ASN 10 Ca -0.04 1.16 -0.05 0.00 -0.02 0.00 0.00 54.58 55.63 2a1a n ASN 10 Cb 0.30 -1.52 -0.08 0.00 -2.36 0.00 0.00 39.78 36.11 2a1a n ASN 10 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 2a1a h LYS 11 N 4.18 0.00 -5.91 -3.83 3.64 -2.01 -3.46 116.57 109.18 2a1a h LYS 11 Ca -0.46 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.39 2a1a h LYS 11 Cb 1.25 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.91 2a1a h LYS 11 CO 0.75 0.80 -0.77 0.71 -2.27 0.00 0.00 179.45 178.67 2a1a s TYR 12 N -2.77 1.88 0.72 1.91 1.51 -1.26 -4.96 117.35 114.37 2a1a s TYR 12 Ca 0.01 -0.47 -0.10 0.00 -1.01 0.00 0.00 57.07 55.50 2a1a s TYR 12 Cb 0.09 -0.90 0.04 0.00 -0.11 0.00 0.00 41.96 41.08 2a1a s TYR 12 CO 0.80 0.39 1.08 -1.25 -1.11 0.00 0.00 175.55 175.46 2a1a s PRO 13 N -3.08 2.48 0.12 -1.71 0.04 -1.26 -5.07 135.00 126.52 2a1a s PRO 13 Ca 0.19 0.15 -0.00 0.00 0.04 0.00 0.00 61.00 61.38 2a1a s PRO 13 Cb -0.05 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 2a1a s PRO 13 CO 0.08 -1.19 0.29 -1.21 0.04 0.00 0.00 177.00 175.01 2a1a s GLU 14 N -5.35 3.48 0.11 4.56 0.41 -1.26 -4.93 118.70 115.73 2a1a s GLU 14 Ca 0.59 -0.40 -0.36 0.00 -0.41 0.00 0.00 54.97 54.39 2a1a s GLU 14 Cb -0.11 -2.95 -0.16 0.00 -1.78 0.00 0.00 34.13 29.13 2a1a s GLU 14 CO 0.49 0.52 1.34 -0.89 -0.49 0.00 0.00 175.26 176.22 2a1a n ILE 15 N -0.15 0.16 0.00 -1.63 5.41 -1.26 -1.58 119.36 120.30 2a1a n ILE 15 Ca -0.05 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.66 2a1a n ILE 15 Cb 0.52 -0.91 0.00 0.00 -0.71 0.00 0.00 39.64 38.55 2a1a n ILE 15 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2a1a n ASP 16 N 2.52 0.00 -4.76 4.38 8.00 -0.66 -5.00 116.55 121.04 2a1a n ASP 16 Ca 0.18 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.27 2a1a n ASP 16 Cb 0.21 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.29 2a1a n ASP 16 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2a1a s ASP 17 N -2.39 6.83 -0.22 -2.24 -0.00 -0.62 -4.67 116.67 113.37 2a1a s ASP 17 Ca 0.00 2.61 -0.23 0.00 -0.00 0.00 0.00 52.55 54.93 2a1a s ASP 17 Cb 0.00 -2.64 -0.01 0.00 -0.00 0.00 0.00 42.92 40.27 2a1a s ASP 17 CO 0.00 -0.51 0.74 -0.63 -0.00 0.00 0.00 175.17 174.78 2a1a s ILE 18 N -0.90 4.92 0.11 0.77 -1.09 -1.26 -0.68 121.20 123.07 2a1a s ILE 18 Ca 0.50 1.40 0.09 0.00 -2.23 0.00 0.00 60.65 60.41 2a1a s ILE 18 Cb -0.39 -4.04 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 2a1a s ILE 18 CO 0.49 0.01 -0.17 0.68 -1.23 0.00 0.00 174.94 174.72 2a1a s VAL 19 N 2.41 2.91 -0.24 2.92 -7.23 0.12 -4.94 120.40 116.35 2a1a s VAL 19 Ca 0.32 -1.46 -0.22 0.00 -1.81 0.00 0.00 61.98 58.81 2a1a s VAL 19 Cb -0.16 -2.33 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 2a1a s VAL 19 CO 0.09 0.11 0.69 -0.32 -0.31 0.00 0.00 175.10 175.37 2a1a s MET 20 N -2.13 4.16 0.27 4.82 1.75 -1.26 -1.71 119.30 125.20 2a1a s MET 20 Ca 0.18 0.69 0.09 0.00 -1.25 0.00 0.00 55.69 55.40 2a1a s MET 20 Cb -0.11 -3.63 -0.05 0.00 2.84 0.00 0.00 34.83 33.88 2a1a s MET 20 CO 0.10 -0.41 -0.12 0.14 -0.65 0.00 0.00 175.02 174.09 2a1a s VAL 21 N 2.47 1.94 -0.07 10.11 -7.23 0.11 -1.29 120.40 126.44 2a1a s VAL 21 Ca 0.30 -2.22 0.05 0.00 -1.81 0.00 0.00 61.98 58.29 2a1a s VAL 21 Cb -0.16 -2.33 -0.00 0.00 0.56 0.00 0.00 36.38 34.45 2a1a s VAL 21 CO 0.09 -0.40 -0.22 0.21 -0.31 0.00 0.00 175.10 174.47 2a1a s ASN 22 N -3.44 2.82 -0.21 4.85 3.84 -0.57 0.12 114.94 122.34 2a1a s ASN 22 Ca 0.28 -0.48 -0.23 0.00 0.21 0.00 0.00 52.86 52.64 2a1a s ASN 22 Cb 0.00 -0.94 -0.02 0.00 -0.55 0.00 0.00 41.25 39.74 2a1a s ASN 22 CO 0.12 0.19 0.72 -0.69 -2.79 0.00 0.00 177.10 174.65 2a1a s VAL 23 N 0.06 4.94 -0.20 -5.21 1.01 -1.23 -0.92 120.40 118.85 2a1a s VAL 23 Ca -0.08 1.37 -0.14 0.00 0.00 0.00 0.00 61.98 63.13 2a1a s VAL 23 Cb -0.15 -4.03 -0.20 0.00 0.00 0.00 0.00 36.38 32.00 2a1a s VAL 23 CO 0.05 0.03 0.14 0.00 0.00 0.00 0.00 175.10 175.32 2a1a n GLN 24 N 5.43 0.63 -3.66 2.72 1.13 0.15 -1.47 117.38 122.31 2a1a n GLN 24 Ca 0.02 0.41 -0.09 0.00 -1.94 0.00 0.00 57.00 55.39 2a1a n GLN 24 Cb 0.49 -1.68 -0.09 0.00 0.11 0.00 0.00 30.24 29.07 2a1a n GLN 24 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2a1a s GLN 25 N -2.46 0.59 -0.38 -1.09 0.74 -1.08 -4.80 119.66 111.19 2a1a s GLN 25 Ca -0.29 1.03 -0.14 0.00 0.05 0.00 0.00 55.36 56.01 2a1a s GLN 25 Cb 0.08 0.10 0.01 0.00 1.10 0.00 0.00 33.01 34.30 2a1a s GLN 25 CO 0.63 -0.15 0.27 0.42 -0.55 0.00 0.00 175.29 175.91 2a1a s ILE 26 N 1.40 5.20 0.42 -2.34 1.01 -1.26 0.33 121.20 125.96 2a1a s ILE 26 Ca -0.09 -0.51 0.05 0.00 0.00 0.00 0.00 60.65 60.10 2a1a s ILE 26 Cb -0.06 -3.81 0.05 0.00 0.01 0.00 0.00 42.46 38.65 2a1a s ILE 26 CO -0.15 -0.19 0.42 0.00 0.00 0.00 0.00 174.94 175.03 2a1a n ALA 27 N 5.12 0.75 0.00 9.38 0.00 0.14 -4.98 120.51 130.93 2a1a n ALA 27 Ca -0.12 -1.63 -0.13 0.00 0.00 0.00 0.00 53.44 51.56 2a1a n ALA 27 Cb 0.48 0.59 -0.09 0.00 0.00 0.00 0.00 19.45 20.43 2a1a n ALA 27 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2a1a h GLU 28 N 0.00 -0.01 0.00 0.00 4.81 -2.02 -3.10 114.58 114.27 2a1a h GLU 28 Ca -0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2a1a h GLU 28 Cb 0.95 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.33 2a1a h GLU 28 CO 0.37 0.34 0.00 -1.33 -0.73 0.00 0.00 179.01 177.66 2a1a n MET 29 N -4.93 0.15 -3.92 1.92 2.00 -1.26 -4.85 117.12 106.24 2a1a n MET 29 Ca -0.08 0.23 0.00 0.00 0.00 0.00 0.00 57.70 57.85 2a1a n MET 29 Cb 0.19 -1.72 0.00 0.00 0.00 0.00 0.00 33.22 31.69 2a1a n MET 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2a1a n GLY 30 N 0.81 -1.92 3.37 3.03 0.00 -1.17 -3.11 105.19 106.20 2a1a n GLY 30 Ca 0.05 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 2a1a n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a1a s ALA 31 N -1.38 2.82 -0.08 4.61 0.00 0.37 0.24 121.76 128.35 2a1a s ALA 31 Ca 0.00 -1.02 -0.23 0.00 0.00 0.00 0.00 51.96 50.71 2a1a s ALA 31 Cb 0.00 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 2a1a s ALA 31 CO 0.00 -0.13 0.68 0.71 0.00 0.00 0.00 175.76 177.02 2a1a s TYR 32 N 0.98 3.56 0.13 0.00 2.02 0.15 0.55 117.35 124.74 2a1a s TYR 32 Ca -0.00 1.21 0.05 0.00 -0.37 0.00 0.00 57.07 57.95 2a1a s TYR 32 Cb -0.15 -2.79 -0.04 0.00 -0.40 0.00 0.00 41.96 38.58 2a1a s TYR 32 CO 0.00 0.08 -0.11 0.14 -1.57 0.00 0.00 175.55 174.09 2a1a s VAL 33 N 0.86 1.19 -0.14 0.71 -7.23 0.39 0.32 120.40 116.50 2a1a s VAL 33 Ca 0.36 -1.91 -0.06 0.00 -1.81 0.00 0.00 61.98 58.56 2a1a s VAL 33 Cb -0.17 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 2a1a s VAL 33 CO 0.17 -0.63 0.08 -0.54 -0.31 0.00 0.00 175.10 173.87 2a1a s LYS 34 N -3.33 3.57 -0.44 4.82 -0.14 -0.10 -0.61 119.74 123.51 2a1a s LYS 34 Ca 0.13 -0.27 -0.29 0.00 -1.36 0.00 0.00 55.97 54.18 2a1a s LYS 34 Cb -0.00 -3.12 0.02 0.00 -1.68 0.00 0.00 37.83 33.04 2a1a s LYS 34 CO 0.01 0.56 1.24 -0.51 -0.76 0.00 0.00 175.35 175.90 2a1a s LEU 35 N -0.44 3.65 0.59 3.17 1.43 -0.05 -1.51 118.68 125.51 2a1a s LEU 35 Ca 0.10 0.67 0.37 0.00 -1.03 0.00 0.00 54.13 54.25 2a1a s LEU 35 Cb -0.12 -3.55 1.75 0.00 0.03 0.00 0.00 46.19 44.31 2a1a s LEU 35 CO 0.02 -1.29 2.13 -0.07 0.23 0.00 0.00 176.35 177.37 2a1a h LEU 36 N 11.50 0.00 -1.21 1.79 3.38 -1.53 -1.76 115.31 127.48 2a1a h LEU 36 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2a1a h LEU 36 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2a1a h LEU 36 CO 1.10 0.01 -0.17 -0.62 0.09 0.00 0.00 178.44 178.86 2a1a n GLU 37 N -3.12 1.63 -2.62 1.13 1.02 -1.26 -4.39 120.64 113.03 2a1a n GLU 37 Ca -0.01 -1.21 -0.17 0.00 -0.02 0.00 0.00 57.16 55.75 2a1a n GLU 37 Cb 0.22 -1.47 0.01 0.00 -0.02 0.00 0.00 31.44 30.18 2a1a n GLU 37 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2a1a n TYR 38 N 0.37 2.10 -2.11 -0.32 4.02 -0.96 -1.83 117.16 118.43 2a1a n TYR 38 Ca 0.14 -2.99 -0.19 0.00 -0.01 0.00 0.00 57.90 54.84 2a1a n TYR 38 Cb 0.46 -0.26 -0.04 0.00 -0.02 0.00 0.00 39.34 39.48 2a1a n TYR 38 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2a1a n ASP 39 N -0.22 -5.40 -2.66 7.72 2.03 -1.25 -2.04 116.55 114.72 2a1a n ASP 39 Ca 0.22 0.18 -0.22 0.00 0.52 0.00 0.00 54.79 55.50 2a1a n ASP 39 Cb 0.74 -4.61 0.01 0.00 -0.72 0.00 0.00 41.12 36.54 2a1a n ASP 39 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2a1a n ASN 40 N -1.70 -6.04 -4.70 1.67 3.02 -0.70 -4.99 115.26 101.82 2a1a n ASN 40 Ca -0.22 -0.14 -0.33 0.00 -0.03 0.00 0.00 54.58 53.87 2a1a n ASN 40 Cb 0.66 -4.96 0.13 0.00 -0.61 0.00 0.00 39.78 35.00 2a1a n ASN 40 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2a1a s ILE 41 N -3.11 2.06 0.30 2.41 -4.36 -0.87 -4.52 121.20 113.12 2a1a s ILE 41 Ca 0.13 0.03 -0.07 0.00 -0.26 0.00 0.00 60.65 60.47 2a1a s ILE 41 Cb -0.06 -2.39 -0.06 0.00 1.25 0.00 0.00 42.46 41.20 2a1a s ILE 41 CO 0.16 -0.02 0.60 -1.61 0.24 0.00 0.00 174.94 174.32 2a1a s GLU 42 N -4.19 3.71 0.22 0.37 2.02 -1.26 -0.87 118.70 118.70 2a1a s GLU 42 Ca 0.72 0.18 -0.10 0.00 0.02 0.00 0.00 54.97 55.80 2a1a s GLU 42 Cb -0.28 -2.59 -0.01 0.00 0.10 0.00 0.00 34.13 31.35 2a1a s GLU 42 CO 0.51 0.18 0.38 0.20 0.02 0.00 0.00 175.26 176.55 2a1a s GLY 43 N -2.96 0.66 -0.06 -1.39 0.00 0.22 -3.90 107.32 99.89 2a1a s GLY 43 Ca 0.47 -1.00 0.02 0.00 0.00 0.00 0.00 44.72 44.20 2a1a s GLY 43 CO 0.28 -0.80 -0.11 -0.29 0.00 0.00 0.00 173.10 172.18 2a1a s MET 44 N -4.03 1.57 -0.21 2.90 1.75 -0.32 -0.47 119.30 120.50 2a1a s MET 44 Ca 0.24 -0.38 -0.21 0.00 -1.25 0.00 0.00 55.69 54.09 2a1a s MET 44 Cb 0.02 -1.32 -0.02 0.00 2.84 0.00 0.00 34.83 36.34 2a1a s MET 44 CO 0.07 0.03 0.62 0.42 -0.65 0.00 0.00 175.02 175.51 2a1a s ILE 45 N 0.64 5.02 0.76 10.11 1.01 0.19 -0.26 121.20 138.67 2a1a s ILE 45 Ca -0.13 1.16 -0.11 0.00 0.00 0.00 0.00 60.65 61.57 2a1a s ILE 45 Cb -0.15 -3.93 0.05 0.00 0.01 0.00 0.00 42.46 38.44 2a1a s ILE 45 CO 0.03 0.10 1.09 -0.76 0.00 0.00 0.00 174.94 175.41 2a1a s LEU 46 N 1.98 3.07 -0.33 2.97 1.43 -1.02 -0.47 118.68 126.31 2a1a s LEU 46 Ca 0.28 1.84 -0.04 0.00 -1.03 0.00 0.00 54.13 55.18 2a1a s LEU 46 Cb -0.16 -4.52 0.05 0.00 0.03 0.00 0.00 46.19 41.59 2a1a s LEU 46 CO 0.10 -2.00 0.06 -0.76 0.23 0.00 0.00 176.35 173.98 2a1a s LEU 47 N -5.82 4.20 0.00 1.79 1.43 -1.18 -4.81 118.68 114.29 2a1a s LEU 47 Ca 0.62 -1.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 2a1a s LEU 47 Cb -0.17 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.26 2a1a s LEU 47 CO 0.55 -0.32 0.00 -1.20 0.23 0.00 0.00 176.35 175.61 2a1a n SER 48 N 4.69 -1.01 -0.85 2.29 7.64 -1.26 -4.97 113.62 120.15 2a1a n SER 48 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2a1a n SER 48 Cb 0.44 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 2a1a n SER 48 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2a1a n LEU 61 N -0.64 0.00 -4.53 -3.43 -0.00 -1.26 -5.05 117.00 102.09 2a1a n LEU 61 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.59 2a1a n LEU 61 Cb 0.25 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.59 2a1a n LEU 61 CO 0.00 0.00 0.18 -0.63 -0.00 0.00 0.00 177.39 176.94 2a1a s ILE 62 N -0.49 5.04 -0.17 1.96 -1.09 -1.26 -5.06 121.20 120.13 2a1a s ILE 62 Ca 0.00 0.03 -0.04 0.00 -2.23 0.00 0.00 60.65 58.41 2a1a s ILE 62 Cb 0.00 -4.00 -0.02 0.00 -1.58 0.00 0.00 42.46 36.86 2a1a s ILE 62 CO 0.00 -0.32 -0.03 -0.60 -1.23 0.00 0.00 174.94 172.76 2a1a s ARG 63 N 2.31 3.63 -0.26 2.79 3.52 -1.26 -5.07 118.95 124.61 2a1a s ARG 63 Ca 0.16 -0.53 -0.39 0.00 -0.13 0.00 0.00 55.73 54.84 2a1a s ARG 63 Cb -0.16 -2.96 -0.15 0.00 -1.56 0.00 0.00 34.95 30.13 2a1a s ARG 63 CO 0.14 0.15 1.81 1.55 -0.81 0.00 0.00 175.30 178.15 2a1a n VAL 64 N 3.80 0.35 0.00 7.11 3.14 -1.26 -3.10 118.33 128.36 2a1a n VAL 64 Ca -0.17 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.13 2a1a n VAL 64 Cb 0.52 -1.37 0.00 0.00 -1.06 0.00 0.00 33.84 31.93 2a1a n VAL 64 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2a1a n GLY 65 N 4.47 1.20 3.85 7.55 0.00 -0.54 -5.03 105.19 116.69 2a1a n GLY 65 Ca 0.27 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 2a1a n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a1a s LYS 66 N 0.00 2.98 0.91 1.61 -2.85 -1.18 -4.76 119.74 116.44 2a1a s LYS 66 Ca 0.00 -1.04 -0.12 0.00 -1.00 0.00 0.00 55.97 53.81 2a1a s LYS 66 Cb 0.00 -2.61 0.14 0.00 -2.06 0.00 0.00 37.83 33.30 2a1a s LYS 66 CO 0.00 0.35 1.09 -0.80 0.10 0.00 0.00 175.35 176.09 2a1a s ASN 67 N -3.89 3.34 0.08 0.03 0.02 -1.26 -3.48 114.94 109.77 2a1a s ASN 67 Ca 0.35 1.51 -0.26 0.00 -1.02 0.00 0.00 52.86 53.43 2a1a s ASN 67 Cb -0.08 -2.18 0.08 0.00 0.02 0.00 0.00 41.25 39.09 2a1a s ASN 67 CO 0.26 -2.73 0.82 -0.62 0.02 0.00 0.00 177.10 174.85 2a1a s ASP 68 N -3.36 -0.38 -0.08 -1.22 -1.08 0.12 -4.93 116.67 105.74 2a1a s ASP 68 Ca 0.64 -0.10 0.05 0.00 -0.52 0.00 0.00 52.55 52.62 2a1a s ASP 68 Cb -0.18 0.47 -0.01 0.00 -1.46 0.00 0.00 42.92 41.74 2a1a s ASP 68 CO 0.57 -0.79 -0.24 -0.69 0.52 0.00 0.00 175.17 174.54 2a1a s VAL 69 N -3.35 2.09 0.03 1.11 1.01 -1.26 0.04 120.40 120.08 2a1a s VAL 69 Ca 0.05 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 2a1a s VAL 69 Cb -0.01 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 2a1a s VAL 69 CO -0.07 0.56 0.05 0.00 0.00 0.00 0.00 175.10 175.64 2a1a s ALA 70 N 0.08 0.05 0.04 5.51 0.00 -0.69 -4.77 121.76 121.98 2a1a s ALA 70 Ca -0.11 -0.64 -0.18 0.00 0.00 0.00 0.00 51.96 51.04 2a1a s ALA 70 Cb -0.16 0.22 -0.06 0.00 0.00 0.00 0.00 23.12 23.12 2a1a s ALA 70 CO 0.06 -0.28 0.52 0.08 0.00 0.00 0.00 175.76 176.14 2a1a s VAL 71 N -2.46 4.84 0.06 0.00 1.01 0.20 0.13 120.40 124.18 2a1a s VAL 71 Ca -0.06 1.09 -0.31 0.00 0.00 0.00 0.00 61.98 62.70 2a1a s VAL 71 Cb -0.02 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 2a1a s VAL 71 CO -0.04 0.56 1.26 -0.69 0.00 0.00 0.00 175.10 176.18 2a1a s VAL 72 N -1.05 3.87 -0.21 2.92 1.01 0.14 -0.32 120.40 126.75 2a1a s VAL 72 Ca 0.27 1.32 0.06 0.00 0.00 0.00 0.00 61.98 63.64 2a1a s VAL 72 Cb -0.18 -3.85 -0.17 0.00 0.00 0.00 0.00 36.38 32.18 2a1a s VAL 72 CO 0.17 0.08 -0.12 0.18 0.00 0.00 0.00 175.10 175.42 2a1a n LEU 73 N 4.18 2.04 -3.65 3.92 4.77 -0.22 -1.65 117.00 126.39 2a1a n LEU 73 Ca 0.10 -0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 2a1a n LEU 73 Cb 0.45 -0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 2a1a n LEU 73 CO 0.56 0.74 0.35 -0.13 -1.33 0.00 0.00 177.39 177.58 2a1a s ARG 74 N -2.44 0.76 -0.14 3.23 0.52 -1.17 -4.86 118.95 114.85 2a1a s ARG 74 Ca -0.23 0.93 -0.01 0.00 -0.52 0.00 0.00 55.73 55.89 2a1a s ARG 74 Cb 0.07 0.36 0.04 0.00 0.52 0.00 0.00 34.95 35.94 2a1a s ARG 74 CO 0.58 -0.10 -0.02 0.08 0.02 0.00 0.00 175.30 175.87 2a1a s VAL 75 N 0.44 0.76 -0.64 3.52 1.01 -1.26 -1.15 120.40 123.08 2a1a s VAL 75 Ca -0.01 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 2a1a s VAL 75 Cb -0.05 -0.99 0.16 0.00 0.00 0.00 0.00 36.38 35.50 2a1a s VAL 75 CO -0.01 0.11 0.53 -0.62 0.00 0.00 0.00 175.10 175.12 2a1a s ASP 76 N 1.79 6.05 0.32 3.32 -1.08 -0.08 -4.94 116.67 122.06 2a1a s ASP 76 Ca 0.02 -2.35 0.04 0.00 -0.52 0.00 0.00 52.55 49.74 2a1a s ASP 76 Cb -0.15 -2.08 0.55 0.00 -1.46 0.00 0.00 42.92 39.78 2a1a s ASP 76 CO -0.07 -0.61 1.82 0.11 0.52 0.00 0.00 175.17 176.93 2a1a h LYS 77 N 8.00 0.46 -0.86 4.34 1.57 -1.93 0.37 116.57 128.52 2a1a h LYS 77 Ca -0.08 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.59 2a1a h LYS 77 Cb 1.04 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.26 2a1a h LYS 77 CO 0.82 0.59 0.57 0.93 -0.57 0.00 0.00 179.45 181.79 2a1a h GLU 78 N 0.43 1.10 0.00 3.15 4.39 -1.96 -3.21 114.58 118.48 2a1a h GLU 78 Ca 0.08 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2a1a h GLU 78 Cb 0.48 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2a1a h GLU 78 CO 0.03 0.73 -0.48 1.63 -1.16 0.00 0.00 179.01 179.76 2a1a n LYS 79 N -4.42 3.91 0.00 2.33 5.02 -1.14 -5.03 118.16 118.83 2a1a n LYS 79 Ca 0.10 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 2a1a n LYS 79 Cb 0.05 -0.92 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 2a1a n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a1a n GLY 80 N 1.27 0.94 3.74 0.72 0.00 0.10 -5.06 105.19 106.89 2a1a n GLY 80 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2a1a n GLY 80 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a1a s TYR 81 N -2.18 3.81 -0.11 1.61 2.02 -1.10 -4.69 117.35 116.71 2a1a s TYR 81 Ca 0.00 1.67 0.02 0.00 -0.37 0.00 0.00 57.07 58.38 2a1a s TYR 81 Cb 0.00 -2.93 0.02 0.00 -0.40 0.00 0.00 41.96 38.64 2a1a s TYR 81 CO 0.00 0.28 -0.15 0.42 -1.57 0.00 0.00 175.55 174.54 2a1a s ILE 82 N -0.23 1.46 -0.05 2.71 1.01 -1.25 -0.90 121.20 123.95 2a1a s ILE 82 Ca 0.42 -0.62 -0.19 0.00 0.00 0.00 0.00 60.65 60.26 2a1a s ILE 82 Cb -0.22 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 40.85 2a1a s ILE 82 CO 0.27 0.43 0.54 -1.81 0.00 0.00 0.00 174.94 174.37 2a1a s ASP 83 N 1.01 6.85 0.09 3.58 1.01 -0.30 -1.17 116.67 127.73 2a1a s ASP 83 Ca -0.06 1.01 0.06 0.00 0.71 0.00 0.00 52.55 54.27 2a1a s ASP 83 Cb -0.15 -2.33 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 2a1a s ASP 83 CO -0.02 0.07 -0.16 -0.76 0.21 0.00 0.00 175.17 174.51 2a1a s LEU 84 N 0.09 2.31 0.05 1.23 1.43 0.64 -1.05 118.68 123.39 2a1a s LEU 84 Ca 0.29 -0.68 0.07 0.00 -1.03 0.00 0.00 54.13 52.77 2a1a s LEU 84 Cb -0.17 -0.65 -0.03 0.00 0.03 0.00 0.00 46.19 45.38 2a1a s LEU 84 CO 0.14 -0.05 -0.19 -0.55 0.23 0.00 0.00 176.35 175.93 2a1a s SER 85 N -1.95 2.29 -0.06 2.29 0.15 0.56 -2.43 113.70 114.55 2a1a s SER 85 Ca 0.03 -0.54 0.13 0.00 0.70 0.00 0.00 55.95 56.27 2a1a s SER 85 Cb -0.09 -0.17 -0.20 0.00 -1.71 0.00 0.00 66.02 63.86 2a1a s SER 85 CO 0.03 0.11 0.21 1.17 1.20 0.00 0.00 173.24 175.96 2a1a n LYS 86 N 1.70 0.97 -0.08 5.44 4.81 -1.26 0.58 118.16 130.32 2a1a n LYS 86 Ca -0.18 -0.08 -0.14 0.00 -0.87 0.00 0.00 58.31 57.04 2a1a n LYS 86 Cb 0.54 -1.33 -0.05 0.00 0.02 0.00 0.00 35.03 34.21 2a1a n LYS 86 CO 0.00 0.00 0.00 0.07 1.17 0.00 0.00 177.40 178.64 2a1a h ARG 87 N 0.00 0.69 0.00 1.64 0.11 -1.95 -3.15 114.38 111.71 2a1a h ARG 87 Ca -0.13 -0.39 0.00 0.00 0.10 0.00 0.00 59.98 59.55 2a1a h ARG 87 Cb 1.07 0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.18 2a1a h ARG 87 CO 0.01 1.01 0.00 0.00 0.10 0.00 0.00 179.97 181.09 2a1a h ARG 88 N 0.41 0.00 -6.37 0.08 3.08 -1.99 -3.43 114.38 106.15 2a1a h ARG 88 Ca 0.03 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.54 2a1a h ARG 88 Cb 0.93 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.97 2a1a h ARG 88 CO 0.08 0.00 0.79 0.08 -1.07 0.00 0.00 179.97 179.85 2a1a s VAL 89 N -3.63 3.82 0.75 2.04 1.01 -1.19 -5.03 120.40 118.17 2a1a s VAL 89 Ca 0.02 1.20 -0.11 0.00 0.00 0.00 0.00 61.98 63.08 2a1a s VAL 89 Cb 0.09 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.74 2a1a s VAL 89 CO 0.53 0.00 1.08 -0.55 0.00 0.00 0.00 175.10 176.16 2a1a s SER 90 N 1.75 4.92 0.27 3.32 0.15 -1.26 -4.94 113.70 117.91 2a1a s SER 90 Ca 0.62 1.43 0.01 0.00 0.70 0.00 0.00 55.95 58.71 2a1a s SER 90 Cb -0.30 -2.23 0.39 0.00 -1.71 0.00 0.00 66.02 62.17 2a1a s SER 90 CO 0.26 -1.71 1.75 -1.28 1.20 0.00 0.00 173.24 173.45 2a1a h SER 91 N -0.91 0.60 1.30 5.45 0.87 -1.98 -1.98 113.55 116.91 2a1a h SER 91 Ca -0.46 -0.17 -0.06 0.00 -1.23 0.00 0.00 61.79 59.87 2a1a h SER 91 Cb 1.24 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 2a1a h SER 91 CO 0.58 0.76 -0.72 1.05 -0.53 0.00 0.00 176.83 177.98 2a1a h GLU 92 N 0.56 0.00 -0.65 2.24 4.11 -2.00 -3.12 114.58 115.72 2a1a h GLU 92 Ca 0.10 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.52 2a1a h GLU 92 Cb 0.56 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 2a1a h GLU 92 CO 0.04 0.18 0.39 -0.44 0.07 0.00 0.00 179.01 179.25 2a1a h ASP 93 N 0.00 0.78 0.08 3.06 3.45 -1.90 -1.17 116.42 120.73 2a1a h ASP 93 Ca -0.04 -0.06 0.02 0.00 0.43 0.00 0.00 57.03 57.39 2a1a h ASP 93 Cb 1.22 -0.20 -0.05 0.00 -0.56 0.00 0.00 39.33 39.75 2a1a h ASP 93 CO 0.03 0.61 -0.37 0.40 -1.57 0.00 0.00 179.24 178.34 2a1a h ILE 94 N 0.88 0.23 -0.55 0.35 2.04 -1.31 -1.72 117.51 117.44 2a1a h ILE 94 Ca 0.23 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.13 2a1a h ILE 94 Cb -0.03 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.25 2a1a h ILE 94 CO -0.04 0.00 0.31 0.40 0.00 0.00 0.00 178.15 178.82 2a1a h ILE 95 N -0.57 1.01 -0.76 -0.67 1.08 -1.48 -1.84 117.51 114.28 2a1a h ILE 95 Ca 0.04 -0.21 0.07 0.00 -0.39 0.00 0.00 64.86 64.36 2a1a h ILE 95 Cb 0.62 0.35 -0.06 0.00 -3.07 0.00 0.00 36.82 34.66 2a1a h ILE 95 CO -0.24 0.11 0.44 0.11 -0.69 0.00 0.00 178.15 177.88 2a1a h LYS 96 N 0.61 0.78 -0.37 2.37 1.57 -1.08 -2.13 116.57 118.32 2a1a h LYS 96 Ca 0.23 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.83 2a1a h LYS 96 Cb 0.08 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2a1a h LYS 96 CO -0.13 0.51 -0.30 0.00 -0.57 0.00 0.00 179.45 178.96 2a1a h GLU 98 N 0.68 0.47 -0.24 0.00 5.08 -1.06 0.23 114.58 119.75 2a1a h GLU 98 Ca 0.08 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2a1a h GLU 98 Cb 0.84 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2a1a h GLU 98 CO 0.07 0.46 0.09 0.93 -1.00 0.00 0.00 179.01 179.56 2a1a h GLU 99 N 0.37 0.36 -0.29 2.33 5.08 -1.32 0.31 114.58 121.42 2a1a h GLU 99 Ca 0.11 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2a1a h GLU 99 Cb 0.16 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 2a1a h GLU 99 CO -0.01 0.42 0.06 -0.22 -1.00 0.00 0.00 179.01 178.26 2a1a h LYS 100 N 0.23 0.16 -0.67 2.33 3.64 -0.92 -1.04 116.57 120.30 2a1a h LYS 100 Ca 0.08 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2a1a h LYS 100 Cb 0.19 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 2a1a h LYS 100 CO -0.01 0.11 0.44 -0.92 -2.27 0.00 0.00 179.45 176.80 2a1a h TYR 101 N 0.17 0.83 -0.62 1.91 5.03 -0.13 0.23 116.97 124.39 2a1a h TYR 101 Ca 0.13 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.49 2a1a h TYR 101 Cb 0.14 -0.28 -0.04 0.00 1.55 0.00 0.00 36.73 38.10 2a1a h TYR 101 CO -0.16 0.50 0.39 0.37 -1.32 0.00 0.00 178.16 177.94 2a1a h GLN 102 N 0.88 0.75 -0.44 1.82 5.75 0.11 0.12 115.11 124.09 2a1a h GLN 102 Ca 0.25 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.67 2a1a h GLN 102 Cb -0.06 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.30 2a1a h GLN 102 CO -0.07 0.50 0.11 0.87 -2.65 0.00 0.00 178.83 177.58 2a1a h LYS 103 N 0.77 0.71 -0.92 1.69 1.57 -0.45 -1.26 116.57 118.68 2a1a h LYS 103 Ca 0.24 -0.17 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 2a1a h LYS 103 Cb -0.01 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 2a1a h LYS 103 CO -0.09 0.71 0.60 0.77 -0.57 0.00 0.00 179.45 180.88 2a1a h SER 104 N 0.58 1.00 -0.28 0.86 0.02 -0.00 -1.60 113.55 114.12 2a1a h SER 104 Ca 0.14 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.92 2a1a h SER 104 Cb 0.32 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 2a1a h SER 104 CO 0.00 0.68 -0.44 0.11 -1.14 0.00 0.00 176.83 176.04 2a1a h LYS 105 N 1.15 0.80 0.03 3.45 1.57 -0.45 -2.12 116.57 121.00 2a1a h LYS 105 Ca 0.37 -0.48 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2a1a h LYS 105 Cb 0.02 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2a1a h LYS 105 CO -0.11 1.12 -0.09 1.15 -0.57 0.00 0.00 179.45 180.95 2a1a h THR 106 N 0.57 0.79 -0.64 -0.16 2.02 -0.91 -1.00 112.91 113.58 2a1a h THR 106 Ca 0.03 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.32 2a1a h THR 106 Cb 1.05 0.79 -0.08 0.00 -1.74 0.00 0.00 68.15 68.16 2a1a h THR 106 CO 0.10 0.00 0.21 0.58 0.37 0.00 0.00 175.52 176.78 2a1a h VAL 107 N -0.16 0.70 -0.48 3.16 2.07 -1.22 -1.01 116.25 119.30 2a1a h VAL 107 Ca 0.03 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 2a1a h VAL 107 Cb 0.19 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2a1a h VAL 107 CO -0.07 0.07 0.14 -0.74 0.02 0.00 0.00 177.57 176.99 2a1a h HIS 108 N 0.36 0.73 -0.29 1.57 6.17 -0.98 -0.90 115.15 121.81 2a1a h HIS 108 Ca 0.33 -0.05 -0.06 0.00 0.71 0.00 0.00 60.37 61.30 2a1a h HIS 108 Cb 0.46 -0.22 -0.01 0.00 2.52 0.00 0.00 27.41 30.16 2a1a h HIS 108 CO -0.20 0.60 -0.07 1.03 0.71 0.00 0.00 177.93 180.01 2a1a h SER 109 N 0.70 0.56 0.63 3.26 0.87 0.12 0.89 113.55 120.58 2a1a h SER 109 Ca 0.16 -0.36 -0.03 0.00 -1.23 0.00 0.00 61.79 60.33 2a1a h SER 109 Cb 0.22 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2a1a h SER 109 CO -0.01 0.79 -0.30 0.40 -0.53 0.00 0.00 176.83 177.18 2a1a h ILE 110 N 0.32 0.27 -0.93 2.23 2.04 -1.02 -1.32 117.51 119.09 2a1a h ILE 110 Ca 0.07 -0.26 0.13 0.00 1.00 0.00 0.00 64.86 65.80 2a1a h ILE 110 Cb 0.54 0.34 -0.09 0.00 -0.74 0.00 0.00 36.82 36.87 2a1a h ILE 110 CO 0.03 0.03 0.55 -0.07 0.00 0.00 0.00 178.15 178.69 2a1a h LEU 111 N -1.04 0.77 -0.47 1.44 3.38 -1.18 -1.16 115.31 117.04 2a1a h LEU 111 Ca -0.09 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2a1a h LEU 111 Cb 0.69 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2a1a h LEU 111 CO 0.14 0.38 0.10 -0.09 0.09 0.00 0.00 178.44 179.06 2a1a h ARG 112 N 0.83 0.76 -0.05 1.13 2.43 -0.77 -2.25 114.38 116.47 2a1a h ARG 112 Ca 0.48 -0.19 0.03 0.00 -0.81 0.00 0.00 59.98 59.50 2a1a h ARG 112 Cb 0.57 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 2a1a h ARG 112 CO -0.30 0.76 -0.20 -0.92 -1.51 0.00 0.00 179.97 177.80 2a1a h TYR 113 N 0.64 -0.52 -0.58 2.20 3.20 -0.16 -2.52 116.97 119.23 2a1a h TYR 113 Ca 0.15 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.09 2a1a h TYR 113 Cb 0.35 0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.80 2a1a h TYR 113 CO 0.02 -0.28 0.31 0.00 -1.64 0.00 0.00 178.16 176.57 2a1a h ALA 115 N 1.31 0.53 -0.42 0.00 0.00 -1.22 -1.08 119.26 118.38 2a1a h ALA 115 Ca 0.26 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2a1a h ALA 115 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2a1a h ALA 115 CO -0.17 -0.02 -0.02 0.93 0.00 0.00 0.00 179.25 179.96 2a1a h GLU 116 N 0.56 0.75 -0.62 0.00 5.08 -1.37 0.22 114.58 119.20 2a1a h GLU 116 Ca 0.16 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2a1a h GLU 116 Cb -0.05 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2a1a h GLU 116 CO -0.04 0.84 0.33 -0.22 -1.00 0.00 0.00 179.01 178.93 2a1a h LYS 117 N 0.58 0.86 -0.01 2.33 3.64 -1.30 -3.24 116.57 119.43 2a1a h LYS 117 Ca 0.12 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2a1a h LYS 117 Cb 0.52 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2a1a h LYS 117 CO 0.03 0.63 -0.38 1.19 -2.27 0.00 0.00 179.45 178.65 2a1a n PHE 118 N -4.38 0.00 -3.35 1.91 3.01 -0.43 -5.00 117.46 109.22 2a1a n PHE 118 Ca 0.06 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.35 2a1a n PHE 118 Cb 0.10 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.65 2a1a n PHE 118 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2a1a n GLN 119 N -0.19 -6.32 -5.16 -1.08 1.13 0.75 -5.02 117.38 101.49 2a1a n GLN 119 Ca 0.07 0.77 -0.30 0.00 -1.94 0.00 0.00 57.00 55.60 2a1a n GLN 119 Cb 0.35 -5.59 -0.16 0.00 0.11 0.00 0.00 30.24 24.95 2a1a n GLN 119 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2a1a s ILE 120 N -3.32 1.89 0.10 5.09 1.01 -0.93 -5.07 121.20 119.97 2a1a s ILE 120 Ca 0.11 -0.98 -0.32 0.00 0.00 0.00 0.00 60.65 59.45 2a1a s ILE 120 Cb -0.05 -1.60 -0.12 0.00 0.01 0.00 0.00 42.46 40.71 2a1a s ILE 120 CO 0.67 0.53 1.77 -2.65 0.00 0.00 0.00 174.94 175.25 2a1a n PRO 121 N 2.93 2.52 -0.34 2.79 -0.02 -1.26 -4.70 135.00 136.93 2a1a n PRO 121 Ca -0.17 0.91 0.05 0.00 -2.02 0.00 0.00 63.50 62.27 2a1a n PRO 121 Cb 0.52 -2.76 0.20 0.00 -0.02 0.00 0.00 33.50 31.43 2a1a n PRO 121 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2a1a h LEU 122 N 7.83 0.86 -1.83 2.45 5.85 -1.94 0.24 115.31 128.76 2a1a h LEU 122 Ca -0.46 0.04 0.21 0.00 0.84 0.00 0.00 57.88 58.51 2a1a h LEU 122 Cb 1.24 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 2a1a h LEU 122 CO 0.93 0.49 0.55 -0.33 -0.34 0.00 0.00 178.44 179.74 2a1a h GLU 123 N 0.96 0.14 -0.29 1.25 3.07 -1.98 -2.47 114.58 115.25 2a1a h GLU 123 Ca 0.45 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.28 2a1a h GLU 123 Cb 0.37 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 2a1a h GLU 123 CO -0.24 0.09 0.12 0.93 -1.40 0.00 0.00 179.01 178.51 2a1a h GLU 124 N 0.15 0.44 -0.45 2.33 4.39 -1.30 0.10 114.58 120.23 2a1a h GLU 124 Ca 0.39 -0.08 0.05 0.00 0.34 0.00 0.00 59.36 60.06 2a1a h GLU 124 Cb 1.31 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.84 2a1a h GLU 124 CO -0.06 0.45 0.18 -0.07 -1.16 0.00 0.00 179.01 178.35 2a1a h LEU 125 N 0.33 0.21 -0.63 1.33 4.07 -1.52 -0.08 115.31 119.03 2a1a h LEU 125 Ca 0.10 0.04 0.03 0.00 0.08 0.00 0.00 57.88 58.13 2a1a h LEU 125 Cb 0.18 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 41.89 2a1a h LEU 125 CO -0.01 0.16 0.39 1.88 -1.08 0.00 0.00 178.44 179.78 2a1a h TYR 126 N 0.36 0.72 -0.38 1.13 -1.99 -1.27 0.48 116.97 116.03 2a1a h TYR 126 Ca 0.21 0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.89 2a1a h TYR 126 Cb 0.18 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 38.66 2a1a h TYR 126 CO -0.14 0.41 -0.04 0.87 -0.00 0.00 0.00 178.16 179.26 2a1a h LYS 127 N 0.76 0.61 0.00 4.88 1.57 0.33 -0.87 116.57 123.85 2a1a h LYS 127 Ca 0.26 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2a1a h LYS 127 Cb 0.03 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2a1a h LYS 127 CO -0.11 0.67 -1.38 0.25 -0.57 0.00 0.00 179.45 178.30 2a1a n THR 128 N -4.23 0.00 -0.00 -0.16 -2.24 -0.15 -4.43 114.28 103.07 2a1a n THR 128 Ca 0.02 -0.27 -0.01 0.00 -2.27 0.00 0.00 64.05 61.51 2a1a n THR 128 Cb 0.29 0.36 -0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2a1a n THR 128 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2a1a n ILE 129 N -1.81 0.34 -0.04 2.28 2.08 0.17 -4.31 119.36 118.07 2a1a n ILE 129 Ca -0.01 0.22 -0.13 0.00 0.56 0.00 0.00 62.75 63.39 2a1a n ILE 129 Cb 0.30 -1.37 -0.01 0.00 -0.75 0.00 0.00 39.64 37.81 2a1a n ILE 129 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2a1a h ALA 130 N -0.68 0.54 -0.02 -1.39 0.00 -1.40 -2.20 119.26 114.10 2a1a h ALA 130 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 2a1a h ALA 130 Cb 0.10 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2a1a h ALA 130 CO 0.00 0.69 -0.48 -1.49 0.00 0.00 0.00 179.25 177.97 2a1a h TRP 131 N 0.57 0.52 -0.41 0.00 6.55 -1.44 0.11 115.95 121.86 2a1a h TRP 131 Ca 0.01 -0.27 -0.03 0.00 0.95 0.00 0.00 58.89 59.55 2a1a h TRP 131 Cb 1.16 -0.07 -0.02 0.00 -0.86 0.00 0.00 29.16 29.38 2a1a h TRP 131 CO 0.06 1.07 0.12 -1.35 -1.05 0.00 0.00 178.44 177.29 2a1a h PRO 132 N -0.17 0.59 -0.57 0.49 0.11 -1.77 -2.76 132.00 127.93 2a1a h PRO 132 Ca -0.05 -0.09 -0.10 0.00 0.11 0.00 0.00 66.00 65.87 2a1a h PRO 132 Cb 1.18 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2a1a h PRO 132 CO 0.09 0.53 -0.02 -0.07 -0.21 0.00 0.00 178.00 178.33 2a1a h LEU 133 N 0.59 1.00 -1.05 2.35 3.38 -1.14 -2.80 115.31 117.63 2a1a h LEU 133 Ca 0.14 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.86 2a1a h LEU 133 Cb 0.19 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 2a1a h LEU 133 CO -0.01 1.07 0.63 0.28 0.09 0.00 0.00 178.44 180.51 2a1a h SER 134 N 0.90 1.00 -0.70 -0.43 0.02 -0.61 0.93 113.55 114.65 2a1a h SER 134 Ca 0.16 0.01 0.14 0.00 -0.84 0.00 0.00 61.79 61.26 2a1a h SER 134 Cb 0.57 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 2a1a h SER 134 CO 0.03 0.64 0.47 0.03 -1.14 0.00 0.00 176.83 176.87 2a1a h ARG 135 N 1.14 0.36 0.00 3.45 3.08 -1.22 0.81 114.38 122.00 2a1a h ARG 135 Ca 0.42 -0.02 -0.21 0.00 0.07 0.00 0.00 59.98 60.24 2a1a h ARG 135 Cb 0.17 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 2a1a h ARG 135 CO -0.16 0.24 -1.65 1.63 -1.07 0.00 0.00 179.97 178.96 2a1a n LYS 136 N -4.47 0.64 0.00 0.04 5.02 -0.42 -4.59 118.16 114.38 2a1a n LYS 136 Ca 0.13 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 2a1a n LYS 136 Cb 0.51 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2a1a n LYS 136 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2a1a n PHE 137 N -2.86 0.00 0.00 2.13 3.01 0.19 -5.02 117.46 114.91 2a1a n PHE 137 Ca -0.14 -0.37 0.00 0.00 1.01 0.00 0.00 57.45 57.95 2a1a n PHE 137 Cb 0.91 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 40.34 2a1a n PHE 137 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2a1a n GLY 138 N -0.37 1.18 2.77 1.37 0.00 0.27 -4.74 105.19 105.68 2a1a n GLY 138 Ca 0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 2a1a n GLY 138 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2a1a s HIS 139 N 0.00 0.06 0.42 1.61 5.65 -1.26 -4.79 115.29 116.97 2a1a s HIS 139 Ca 0.00 0.12 0.22 0.00 0.25 0.00 0.00 55.06 55.65 2a1a s HIS 139 Cb 0.00 -0.26 1.19 0.00 -1.18 0.00 0.00 32.58 32.33 2a1a s HIS 139 CO 0.00 -0.10 1.75 0.00 -0.65 0.00 0.00 174.74 175.74 2a1a h ALA 140 N 7.32 2.39 -0.73 1.58 0.00 -1.86 0.36 119.26 128.31 2a1a h ALA 140 Ca -0.45 0.06 0.14 0.00 0.00 0.00 0.00 54.91 54.67 2a1a h ALA 140 Cb 1.12 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 2a1a h ALA 140 CO 0.47 -0.82 0.25 -0.92 0.00 0.00 0.00 179.25 178.23 2a1a h TYR 141 N 0.31 0.43 -0.14 0.00 3.20 -1.95 -0.10 116.97 118.72 2a1a h TYR 141 Ca 0.63 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 62.42 2a1a h TYR 141 Cb 1.74 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.92 2a1a h TYR 141 CO -0.00 0.02 -0.43 0.93 -1.64 0.00 0.00 178.16 177.03 2a1a h GLU 142 N 0.38 0.32 -0.09 1.82 4.39 -1.23 0.29 114.58 120.46 2a1a h GLU 142 Ca 0.41 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 2a1a h GLU 142 Cb 0.63 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2a1a h GLU 142 CO -0.43 0.70 0.02 0.00 -1.16 0.00 0.00 179.01 178.14 2a1a h ALA 143 N 1.28 0.12 -0.50 3.43 0.00 -1.23 0.15 119.26 122.51 2a1a h ALA 143 Ca 0.02 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2a1a h ALA 143 Cb 0.87 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 2a1a h ALA 143 CO 0.07 -0.25 0.21 0.74 0.00 0.00 0.00 179.25 180.02 2a1a h PHE 144 N -0.07 0.37 0.43 0.00 -1.00 -0.58 0.26 116.94 116.35 2a1a h PHE 144 Ca 0.03 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.81 2a1a h PHE 144 Cb 0.26 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 39.73 2a1a h PHE 144 CO 0.01 0.15 -0.24 -0.22 -1.61 0.00 0.00 178.31 176.40 2a1a h LYS 145 N 0.41 -0.60 0.00 1.51 3.64 -0.20 -2.65 116.57 118.67 2a1a h LYS 145 Ca 0.23 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 2a1a h LYS 145 Cb 0.22 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2a1a h LYS 145 CO -0.21 -0.40 -0.03 -0.07 -2.27 0.00 0.00 179.45 176.46 2a1a h LEU 146 N -0.62 0.00 -2.05 5.20 -0.00 -0.43 -2.51 115.31 114.89 2a1a h LEU 146 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.81 2a1a h LEU 146 Cb 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.15 2a1a h LEU 146 CO 0.07 0.03 -0.09 0.77 -0.00 0.00 0.00 178.44 179.23 2a1a h SER 147 N 0.00 0.00 -0.31 -0.43 4.64 -0.11 -2.03 113.55 115.32 2a1a h SER 147 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2a1a h SER 147 Cb 0.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 2a1a h SER 147 CO 0.00 0.09 0.20 0.40 -0.87 0.00 0.00 176.83 176.65 2a1a h ILE 148 N 0.00 1.08 -0.01 0.95 2.04 -1.43 -2.99 117.51 117.16 2a1a h ILE 148 Ca -0.00 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2a1a h ILE 148 Cb 0.28 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2a1a h ILE 148 CO 0.01 0.08 -0.33 0.00 0.00 0.00 0.00 178.15 177.91 2a1a n ILE 149 N -4.87 0.00 -3.25 -0.67 3.06 -0.85 -4.77 119.36 108.01 2a1a n ILE 149 Ca -0.01 -0.10 -0.04 0.00 -2.50 0.00 0.00 62.75 60.09 2a1a n ILE 149 Cb 0.03 0.41 -0.03 0.00 0.54 0.00 0.00 39.64 40.58 2a1a n ILE 149 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2a1a s ASP 150 N -2.62 -0.47 0.66 9.51 -1.08 -0.82 -5.02 116.67 116.84 2a1a s ASP 150 Ca 0.21 -0.43 0.43 0.00 -0.52 0.00 0.00 52.55 52.23 2a1a s ASP 150 Cb 0.19 1.47 2.35 0.00 -1.46 0.00 0.00 42.92 45.47 2a1a s ASP 150 CO 0.57 -0.29 2.34 -0.33 0.52 0.00 0.00 175.17 177.97 2a1a h GLU 151 N 7.77 0.00 0.00 4.34 5.08 -1.86 -2.84 114.58 127.08 2a1a h GLU 151 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2a1a h GLU 151 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2a1a h GLU 151 CO 0.19 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.45 2a1a n THR 152 N -3.12 0.55 -0.26 1.13 -2.24 -1.26 -2.05 114.28 107.03 2a1a n THR 152 Ca -0.03 0.14 0.26 0.00 -2.27 0.00 0.00 64.05 62.15 2a1a n THR 152 Cb 0.09 -0.78 0.62 0.00 -2.10 0.00 0.00 70.33 68.16 2a1a n THR 152 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2a1a h VAL 153 N 0.00 0.55 0.00 2.28 2.07 -1.87 -1.97 116.25 117.30 2a1a h VAL 153 Ca 0.00 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2a1a h VAL 153 Cb 0.34 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2a1a h VAL 153 CO 0.00 0.04 -0.11 -0.50 0.02 0.00 0.00 177.57 177.02 2a1a h TRP 154 N 0.21 0.00 -2.59 1.57 -0.00 -1.67 -3.47 115.95 110.01 2a1a h TRP 154 Ca 0.51 0.00 -0.60 0.00 -0.00 0.00 0.00 58.89 58.80 2a1a h TRP 154 Cb 1.63 0.00 0.09 0.00 -0.00 0.00 0.00 29.16 30.88 2a1a h TRP 154 CO -0.00 0.11 0.46 -1.91 -0.00 0.00 0.00 178.44 177.10 2a1a n GLU 155 N -3.17 1.78 0.00 0.49 2.13 -0.74 -2.10 120.64 119.02 2a1a n GLU 155 Ca 0.02 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.47 2a1a n GLU 155 Cb 0.47 -2.20 0.00 0.00 0.27 0.00 0.00 31.44 29.97 2a1a n GLU 155 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2a1a n GLY 156 N 1.80 2.75 3.67 8.31 0.00 -1.26 -5.02 105.19 115.44 2a1a n GLY 156 Ca 0.11 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2a1a n GLY 156 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a1a s ILE 157 N -1.74 3.66 -0.48 -0.61 -1.09 -0.89 -5.00 121.20 115.05 2a1a s ILE 157 Ca 0.00 0.88 -0.05 0.00 -2.23 0.00 0.00 60.65 59.24 2a1a s ILE 157 Cb 0.00 -3.57 0.13 0.00 -1.58 0.00 0.00 42.46 37.44 2a1a s ILE 157 CO 0.00 -0.06 0.31 -1.61 -1.23 0.00 0.00 174.94 172.35 2a1a s GLU 158 N 3.59 2.31 0.80 2.79 2.02 -1.26 -5.10 118.70 123.85 2a1a s GLU 158 Ca 0.69 -1.94 -0.12 0.00 0.02 0.00 0.00 54.97 53.62 2a1a s GLU 158 Cb -0.32 -3.76 0.07 0.00 0.10 0.00 0.00 34.13 30.22 2a1a s GLU 158 CO 0.27 -1.14 1.10 -1.25 0.02 0.00 0.00 175.26 174.26 2a1a s PRO 159 N 0.99 2.07 0.27 0.39 0.04 -1.26 -4.85 135.00 132.65 2a1a s PRO 159 Ca 0.09 0.60 -0.03 0.00 0.04 0.00 0.00 61.00 61.70 2a1a s PRO 159 Cb -0.23 -1.92 0.38 0.00 0.04 0.00 0.00 34.50 32.77 2a1a s PRO 159 CO -0.03 -1.62 1.92 -1.35 0.04 0.00 0.00 177.00 175.96 2a1a h PRO 160 N -1.09 1.18 -4.83 0.56 0.11 -1.95 -3.43 132.00 122.54 2a1a h PRO 160 Ca -0.47 -0.07 -0.38 0.00 0.11 0.00 0.00 66.00 65.19 2a1a h PRO 160 Cb 1.27 -0.27 -0.26 0.00 0.11 0.00 0.00 31.00 31.86 2a1a h PRO 160 CO 0.60 0.78 -0.77 -1.12 -0.21 0.00 0.00 178.00 177.27 2a1a s SER 161 N -6.08 1.16 0.37 -2.05 0.01 -1.26 -5.01 113.70 100.84 2a1a s SER 161 Ca -0.12 -0.32 0.09 0.00 1.31 0.00 0.00 55.95 56.91 2a1a s SER 161 Cb 0.19 -0.08 0.82 0.00 0.21 0.00 0.00 66.02 67.16 2a1a s SER 161 CO 0.81 0.02 1.91 0.50 0.41 0.00 0.00 173.24 176.90 2a1a h LYS 162 N 5.37 0.66 -0.08 12.44 3.11 -2.00 -2.71 116.57 133.36 2a1a h LYS 162 Ca -0.34 -0.04 -0.16 0.00 -2.81 0.00 0.00 60.65 57.30 2a1a h LYS 162 Cb 1.18 -0.15 0.01 0.00 -1.00 0.00 0.00 32.23 32.28 2a1a h LYS 162 CO 0.46 0.44 -0.60 -0.44 -2.81 0.00 0.00 179.45 176.50 2a1a h ASP 163 N 0.68 0.65 -0.47 4.20 3.32 -1.99 -2.42 116.42 120.40 2a1a h ASP 163 Ca 0.38 -0.68 0.04 0.00 0.02 0.00 0.00 57.03 56.79 2a1a h ASP 163 Cb 0.54 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 2a1a h ASP 163 CO -0.15 1.23 0.31 1.62 -1.72 0.00 0.00 179.24 180.53 2a1a h VAL 164 N 0.13 1.03 -0.19 -1.35 3.04 -1.94 -2.02 116.25 114.94 2a1a h VAL 164 Ca -0.05 -0.17 -0.16 0.00 -1.01 0.00 0.00 66.70 65.31 2a1a h VAL 164 Cb 1.26 0.49 -0.01 0.00 -2.01 0.00 0.00 31.29 31.02 2a1a h VAL 164 CO 0.12 0.09 -0.53 0.25 -1.01 0.00 0.00 177.57 176.50 2a1a h LEU 165 N 0.49 0.61 -0.91 3.16 5.85 -1.30 -2.60 115.31 120.62 2a1a h LEU 165 Ca 0.19 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.51 2a1a h LEU 165 Cb 0.15 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2a1a h LEU 165 CO -0.05 1.02 -0.12 0.44 -0.34 0.00 0.00 178.44 179.40 2a1a h ASP 166 N 0.43 0.66 -0.26 1.25 3.45 -0.93 -0.60 116.42 120.42 2a1a h ASP 166 Ca 0.01 -0.19 -0.14 0.00 0.43 0.00 0.00 57.03 57.14 2a1a h ASP 166 Cb 1.06 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.65 2a1a h ASP 166 CO 0.10 0.81 -0.35 -0.08 -1.57 0.00 0.00 179.24 178.15 2a1a h GLU 167 N 0.61 0.79 -0.08 3.56 4.57 -1.27 -1.34 114.58 121.42 2a1a h GLU 167 Ca 0.11 -0.39 -0.02 0.00 -1.18 0.00 0.00 59.36 57.88 2a1a h GLU 167 Cb 0.56 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 2a1a h GLU 167 CO 0.03 1.01 -0.04 1.25 -1.18 0.00 0.00 179.01 180.09 2a1a h LEU 168 N 0.66 0.18 -1.07 1.64 5.85 -1.34 0.64 115.31 121.86 2a1a h LEU 168 Ca 0.06 -0.42 0.11 0.00 0.84 0.00 0.00 57.88 58.48 2a1a h LEU 168 Cb 0.89 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.80 2a1a h LEU 168 CO 0.08 0.55 0.62 0.50 -0.34 0.00 0.00 178.44 179.85 2a1a h LYS 169 N -0.20 0.95 0.04 1.25 3.64 -1.08 -0.57 116.57 120.60 2a1a h LYS 169 Ca 0.02 -0.06 -0.25 0.00 -1.27 0.00 0.00 60.65 59.09 2a1a h LYS 169 Cb 0.49 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2a1a h LYS 169 CO 0.01 0.63 -1.06 -0.91 -2.27 0.00 0.00 179.45 175.86 2a1a h ASN 170 N 0.98 0.65 -0.74 4.20 2.35 -1.15 -3.28 115.58 118.59 2a1a h ASN 170 Ca 0.47 -0.55 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2a1a h ASN 170 Cb 0.44 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 2a1a h ASN 170 CO -0.23 1.37 0.47 0.22 -1.65 0.00 0.00 177.43 177.61 2a1a h TYR 171 N 0.25 0.95 0.00 1.19 5.03 0.07 -2.52 116.97 121.94 2a1a h TYR 171 Ca -0.12 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.19 2a1a h TYR 171 Cb 1.71 -0.32 -0.00 0.00 1.55 0.00 0.00 36.73 39.67 2a1a h TYR 171 CO 0.08 0.62 -0.06 0.82 -1.32 0.00 0.00 178.16 178.29 2a1a h ILE 172 N 1.01 0.31 -0.59 1.81 2.04 -1.20 -3.15 117.51 117.75 2a1a h ILE 172 Ca 0.27 -0.37 -0.72 0.00 1.00 0.00 0.00 64.86 65.04 2a1a h ILE 172 Cb -0.08 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 2a1a h ILE 172 CO -0.05 0.06 2.87 -1.20 0.00 0.00 0.00 178.15 179.83 2a1a n SER 173 N -3.41 6.17 0.00 1.72 7.64 -0.95 -4.60 113.62 120.20 2a1a n SER 173 Ca -0.02 -2.91 0.00 0.00 1.01 0.00 0.00 58.87 56.96 2a1a n SER 173 Cb 0.20 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 61.87 2a1a n SER 173 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2a1a n LYS 174 N 4.05 0.00 0.00 1.43 2.85 -1.19 -5.07 118.16 120.23 2a1a n LYS 174 Ca 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.83 2a1a n LYS 174 Cb 0.32 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.70 2a1a n LYS 174 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89