#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u20 s ARG 19 N 0.00 1.33 0.64 0.54 3.52 -1.08 -4.96 118.95 118.93 1u20 s ARG 19 Ca 0.00 -0.32 -0.17 0.00 -0.13 0.00 0.00 55.73 55.11 1u20 s ARG 19 Cb 0.00 -1.16 -0.01 0.00 -1.56 0.00 0.00 34.95 32.22 1u20 s ARG 19 CO 0.00 0.03 1.20 -0.80 -0.81 0.00 0.00 175.30 174.92 1u20 s ASN 20 N 0.61 4.88 -0.17 -2.12 -0.87 -1.26 0.01 114.94 116.01 1u20 s ASN 20 Ca -0.11 2.35 -0.28 0.00 -1.57 0.00 0.00 52.86 53.24 1u20 s ASN 20 Cb -0.14 -2.59 0.09 0.00 -0.02 0.00 0.00 41.25 38.59 1u20 s ASN 20 CO 0.02 -1.80 0.81 -0.51 -2.57 0.00 0.00 177.10 173.05 1u20 s ILE 21 N -1.77 0.00 0.56 0.60 2.07 -0.99 -4.77 121.20 116.90 1u20 s ILE 21 Ca 0.76 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.82 1u20 s ILE 21 Cb -0.29 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.25 1u20 s ILE 21 CO 0.38 0.00 1.08 -0.94 -1.91 0.00 0.00 174.94 173.55 1u20 s SER 22 N -0.52 5.78 0.10 4.50 1.04 -1.26 -3.96 113.70 119.39 1u20 s SER 22 Ca -0.04 1.99 -0.31 0.00 0.48 0.00 0.00 55.95 58.07 1u20 s SER 22 Cb -0.02 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.42 1u20 s SER 22 CO 0.03 -1.17 1.59 -0.09 0.98 0.00 0.00 173.24 174.58 1u20 h ARG 23 N 0.87 -0.68 -0.69 4.02 2.43 -1.96 -0.40 114.38 117.97 1u20 h ARG 23 Ca -0.48 0.05 0.13 0.00 -0.81 0.00 0.00 59.98 58.86 1u20 h ARG 23 Cb 1.24 0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 30.85 1u20 h ARG 23 CO 0.57 -0.46 0.23 1.49 -1.51 0.00 0.00 179.97 180.29 1u20 h GLU 24 N -0.71 0.36 0.75 0.20 4.81 -1.98 0.33 114.58 118.34 1u20 h GLU 24 Ca -0.00 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1u20 h GLU 24 Cb 0.69 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 30.00 1u20 h GLU 24 CO -0.17 0.24 -0.36 1.49 -0.73 0.00 0.00 179.01 179.48 1u20 h GLU 25 N 0.37 -0.98 -0.64 1.92 4.57 -1.88 -2.57 114.58 115.37 1u20 h GLU 25 Ca 0.37 0.07 0.16 0.00 -1.18 0.00 0.00 59.36 58.77 1u20 h GLU 25 Cb 0.55 0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 29.32 1u20 h GLU 25 CO -0.40 -0.65 0.45 0.66 -1.18 0.00 0.00 179.01 177.89 1u20 h SER 26 N -1.02 0.15 1.10 1.04 4.64 -0.50 -0.35 113.55 118.61 1u20 h SER 26 Ca -0.10 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1u20 h SER 26 Cb 0.78 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1u20 h SER 26 CO 0.17 0.08 0.00 0.18 -0.87 0.00 0.00 176.83 176.39 1u20 n LEU 27 N -4.41 0.58 0.10 5.97 4.77 0.05 -2.80 117.00 121.26 1u20 n LEU 27 Ca 0.12 0.58 0.12 0.00 -0.03 0.00 0.00 56.01 56.80 1u20 n LEU 27 Cb 0.60 -0.44 0.10 0.00 -2.33 0.00 0.00 43.42 41.36 1u20 n LEU 27 CO 0.35 -0.27 0.28 1.56 -1.33 0.00 0.00 177.39 177.98 1u20 h GLN 28 N 0.00 0.00 -7.25 3.23 4.20 -0.78 -3.48 115.11 111.03 1u20 h GLN 28 Ca 0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 1u20 h GLN 28 Cb 0.55 0.00 0.20 0.00 0.30 0.00 0.00 27.48 28.52 1u20 h GLN 28 CO 0.00 0.00 0.19 -0.51 -0.67 0.00 0.00 178.83 177.84 1u20 s LEU 29 N -4.95 2.47 0.02 1.46 1.43 -1.12 -5.05 118.68 112.93 1u20 s LEU 29 Ca 0.04 2.04 0.05 0.00 -1.03 0.00 0.00 54.13 55.22 1u20 s LEU 29 Cb 0.11 -4.34 -0.02 0.00 0.03 0.00 0.00 46.19 41.97 1u20 s LEU 29 CO 0.74 -3.25 -0.15 -1.61 0.23 0.00 0.00 176.35 172.31 1u20 s GLU 30 N -4.63 1.06 -0.42 1.70 0.41 -1.26 -4.81 118.70 110.75 1u20 s GLU 30 Ca 0.67 -0.67 0.00 0.00 -0.41 0.00 0.00 54.97 54.56 1u20 s GLU 30 Cb -0.23 -1.06 0.00 0.00 -1.78 0.00 0.00 34.13 31.06 1u20 s GLU 30 CO 0.59 0.28 0.00 0.41 -0.49 0.00 0.00 175.26 176.05 1u20 n GLY 31 N 2.25 0.69 3.69 -1.39 0.00 -1.26 -5.04 105.19 104.14 1u20 n GLY 31 Ca -0.16 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 1u20 n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u20 s TYR 32 N -2.13 3.15 -0.06 1.61 1.51 -1.26 -4.75 117.35 115.42 1u20 s TYR 32 Ca 0.00 0.16 -0.25 0.00 -1.01 0.00 0.00 57.07 55.96 1u20 s TYR 32 Cb 0.00 -1.74 -0.03 0.00 -0.11 0.00 0.00 41.96 40.08 1u20 s TYR 32 CO 0.00 0.48 0.79 0.21 -1.11 0.00 0.00 175.55 175.92 1u20 s LYS 33 N -1.21 4.46 0.01 -0.62 2.20 0.36 -4.93 119.74 120.01 1u20 s LYS 33 Ca 0.17 1.05 0.02 0.00 -0.36 0.00 0.00 55.97 56.84 1u20 s LYS 33 Cb -0.11 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 1u20 s LYS 33 CO 0.06 -0.00 0.00 -1.01 -0.36 0.00 0.00 175.35 174.04 1u20 s HIS 34 N 0.98 3.07 -0.04 4.03 3.76 -1.26 -0.13 115.29 125.70 1u20 s HIS 34 Ca 0.42 0.07 -0.03 0.00 -0.15 0.00 0.00 55.06 55.37 1u20 s HIS 34 Cb -0.19 -1.66 0.01 0.00 1.11 0.00 0.00 32.58 31.86 1u20 s HIS 34 CO 0.20 0.46 0.09 0.00 -0.85 0.00 0.00 174.74 174.65 1u20 s ALA 35 N -1.11 -0.22 -0.08 -1.40 0.00 -0.32 -0.54 121.76 118.10 1u20 s ALA 35 Ca 0.20 0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.49 1u20 s ALA 35 Cb -0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 1u20 s ALA 35 CO 0.11 -0.05 -0.22 0.00 0.00 0.00 0.00 175.76 175.60 1u20 s HIS 37 N 0.22 1.10 0.02 0.00 3.76 -0.47 0.18 115.29 120.09 1u20 s HIS 37 Ca -0.13 -0.49 0.02 0.00 -0.15 0.00 0.00 55.06 54.31 1u20 s HIS 37 Cb -0.16 -0.62 -0.01 0.00 1.11 0.00 0.00 32.58 32.90 1u20 s HIS 37 CO 0.06 0.03 -0.06 0.00 -0.85 0.00 0.00 174.74 173.92 1u20 s ALA 38 N -1.43 0.46 -0.26 -1.40 0.00 -0.12 -0.92 121.76 118.09 1u20 s ALA 38 Ca -0.03 -0.51 -0.09 0.00 0.00 0.00 0.00 51.96 51.34 1u20 s ALA 38 Cb -0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1u20 s ALA 38 CO 0.02 0.02 0.13 -1.17 0.00 0.00 0.00 175.76 174.76 1u20 s LEU 39 N -0.93 3.74 -0.12 0.00 2.96 -0.39 -3.83 118.68 120.12 1u20 s LEU 39 Ca -0.05 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.74 1u20 s LEU 39 Cb -0.06 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1u20 s LEU 39 CO 0.00 -0.04 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.20 1u20 s LEU 40 N 1.65 3.29 0.13 -0.68 1.43 -1.26 -1.03 118.68 122.22 1u20 s LEU 40 Ca 0.07 -0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 53.02 1u20 s LEU 40 Cb -0.15 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.30 1u20 s LEU 40 CO 0.07 0.26 0.28 -1.38 0.23 0.00 0.00 176.35 175.82 1u20 s HIS 41 N -0.20 0.19 -0.13 0.29 -3.43 -0.86 -2.39 115.29 108.77 1u20 s HIS 41 Ca 0.04 -0.57 -0.20 0.00 -0.80 0.00 0.00 55.06 53.52 1u20 s HIS 41 Cb -0.13 0.02 0.05 0.00 -1.43 0.00 0.00 32.58 31.09 1u20 s HIS 41 CO 0.02 -0.67 0.51 0.00 -2.00 0.00 0.00 174.74 172.60 1u20 s ALA 42 N -3.90 -1.28 0.58 -1.38 0.00 -0.83 0.31 121.76 115.27 1u20 s ALA 42 Ca 0.10 1.19 -0.18 0.00 0.00 0.00 0.00 51.96 53.07 1u20 s ALA 42 Cb 0.03 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1u20 s ALA 42 CO -0.06 -0.27 1.13 -1.25 0.00 0.00 0.00 175.76 175.31 1u20 s PRO 43 N -0.38 3.15 -0.04 0.00 0.04 -1.26 -0.31 135.00 136.19 1u20 s PRO 43 Ca -0.05 1.56 -0.04 0.00 0.04 0.00 0.00 61.00 62.50 1u20 s PRO 43 Cb -0.03 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.54 1u20 s PRO 43 CO 0.03 -1.00 0.12 0.45 0.04 0.00 0.00 177.00 176.64 1u20 s SER 44 N -2.01 -0.11 0.00 6.66 0.15 -0.36 -4.47 113.70 113.55 1u20 s SER 44 Ca 0.71 0.21 0.24 0.00 0.70 0.00 0.00 55.95 57.81 1u20 s SER 44 Cb -0.23 0.24 0.53 0.00 -1.71 0.00 0.00 66.02 64.85 1u20 s SER 44 CO 0.32 -0.06 1.45 0.00 1.20 0.00 0.00 173.24 176.15 1u20 n GLN 45 N 2.93 2.14 -1.54 5.44 1.13 -1.26 -3.46 117.38 122.77 1u20 n GLN 45 Ca -0.13 -1.70 -0.34 0.00 -1.94 0.00 0.00 57.00 52.90 1u20 n GLN 45 Cb 0.59 -1.47 0.08 0.00 0.11 0.00 0.00 30.24 29.55 1u20 n GLN 45 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1u20 s ALA 46 N -1.80 2.24 -0.07 -1.58 0.00 -1.26 -4.87 121.76 114.41 1u20 s ALA 46 Ca 0.34 0.72 -0.01 0.00 0.00 0.00 0.00 51.96 53.01 1u20 s ALA 46 Cb 0.21 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.95 1u20 s ALA 46 CO 0.30 -1.65 -0.02 0.15 0.00 0.00 0.00 175.76 174.54 1u20 s LYS 47 N -4.03 0.82 0.12 0.00 1.02 -1.26 -1.16 119.74 115.25 1u20 s LYS 47 Ca 0.71 0.00 -0.31 0.00 0.02 0.00 0.00 55.97 56.39 1u20 s LYS 47 Cb -0.25 -1.07 -0.09 0.00 -0.52 0.00 0.00 37.83 35.90 1u20 s LYS 47 CO 0.44 -0.26 1.59 -1.17 -0.92 0.00 0.00 175.35 175.04 1u20 s LEU 48 N 1.73 4.37 -2.18 3.17 2.96 0.16 -1.64 118.68 127.24 1u20 s LEU 48 Ca 0.02 2.54 0.00 0.00 -0.22 0.00 0.00 54.13 56.47 1u20 s LEU 48 Cb -0.13 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1u20 s LEU 48 CO -0.05 -0.84 0.00 0.49 -1.32 0.00 0.00 176.35 174.63 1u20 n PHE 49 N 4.70 -0.10 -0.96 5.38 0.99 -1.26 -1.31 117.46 124.90 1u20 n PHE 49 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.60 1u20 n PHE 49 Cb 0.40 -3.54 0.00 0.00 -1.00 0.00 0.00 39.48 35.33 1u20 n PHE 49 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1u20 n ASP 50 N -1.44 -4.58 0.00 4.37 9.92 -0.65 -4.76 116.55 119.40 1u20 n ASP 50 Ca -0.21 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.05 1u20 n ASP 50 Cb 0.69 -2.59 0.00 0.00 -0.64 0.00 0.00 41.12 38.58 1u20 n ASP 50 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1u20 n ARG 51 N -0.31 1.43 -3.46 -1.24 0.63 -0.76 -4.96 116.66 107.99 1u20 n ARG 51 Ca 0.00 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 1u20 n ARG 51 Cb 0.32 -0.87 -0.09 0.00 0.45 0.00 0.00 32.46 32.27 1u20 n ARG 51 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1u20 s VAL 52 N -1.74 5.02 0.26 5.15 1.01 -0.42 -4.89 120.40 124.79 1u20 s VAL 52 Ca 0.00 -1.01 -0.31 0.00 0.00 0.00 0.00 61.98 60.67 1u20 s VAL 52 Cb 0.00 -3.94 -0.12 0.00 0.00 0.00 0.00 36.38 32.32 1u20 s VAL 52 CO 0.00 -0.47 1.65 -0.81 0.00 0.00 0.00 175.10 175.46 1u20 n PRO 53 N 5.13 2.74 -0.06 2.72 -0.04 -1.26 0.36 135.00 144.59 1u20 n PRO 53 Ca -0.12 0.98 -0.12 0.00 -0.04 0.00 0.00 63.50 64.20 1u20 n PRO 53 Cb 0.44 -2.79 0.01 0.00 -0.04 0.00 0.00 33.50 31.12 1u20 n PRO 53 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1u20 h ILE 54 N 3.51 1.29 0.00 0.52 1.08 -1.42 -3.44 117.51 119.05 1u20 h ILE 54 Ca -0.46 -1.70 0.00 0.00 -0.39 0.00 0.00 64.86 62.31 1u20 h ILE 54 Cb 1.22 1.61 0.00 0.00 -3.07 0.00 0.00 36.82 36.58 1u20 h ILE 54 CO 0.85 0.55 0.00 0.54 -0.69 0.00 0.00 178.15 179.40 1u20 n ARG 55 N -4.00 0.00 -3.70 2.37 1.74 -1.22 -4.64 116.66 107.19 1u20 n ARG 55 Ca -0.03 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.91 1u20 n ARG 55 Cb 0.60 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.94 1u20 n ARG 55 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1u20 s ARG 56 N 0.00 0.59 -0.31 5.56 3.52 -1.26 -1.23 118.95 125.82 1u20 s ARG 56 Ca 0.00 0.69 -0.19 0.00 -0.13 0.00 0.00 55.73 56.10 1u20 s ARG 56 Cb 0.00 0.29 -0.01 0.00 -1.56 0.00 0.00 34.95 33.67 1u20 s ARG 56 CO 0.00 -0.07 0.57 0.08 -0.81 0.00 0.00 175.30 175.07 1u20 s VAL 57 N 0.24 4.99 -0.16 7.11 1.01 0.57 -4.83 120.40 129.32 1u20 s VAL 57 Ca -0.00 0.71 -0.01 0.00 0.00 0.00 0.00 61.98 62.68 1u20 s VAL 57 Cb -0.03 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 1u20 s VAL 57 CO 0.01 -0.11 -0.13 -0.76 0.00 0.00 0.00 175.10 174.11 1u20 s LEU 58 N 2.48 2.61 -0.17 3.92 1.02 -1.26 -1.97 118.68 125.31 1u20 s LEU 58 Ca 0.22 -0.43 -0.14 0.00 0.02 0.00 0.00 54.13 53.81 1u20 s LEU 58 Cb -0.15 -1.61 -0.05 0.00 0.02 0.00 0.00 46.19 44.41 1u20 s LEU 58 CO 0.12 0.08 0.31 -0.76 0.02 0.00 0.00 176.35 176.12 1u20 s LEU 59 N 0.85 4.23 0.00 1.79 1.43 -1.00 -1.08 118.68 124.90 1u20 s LEU 59 Ca -0.04 0.51 0.04 0.00 -1.03 0.00 0.00 54.13 53.62 1u20 s LEU 59 Cb -0.15 -2.40 -0.02 0.00 0.03 0.00 0.00 46.19 43.66 1u20 s LEU 59 CO -0.00 0.07 0.15 0.23 0.23 0.00 0.00 176.35 177.04 1u20 n MET 60 N 3.69 0.57 -4.08 1.70 2.81 -0.25 -4.51 117.12 117.05 1u20 n MET 60 Ca -0.11 -3.14 -0.10 0.00 -1.81 0.00 0.00 57.70 52.53 1u20 n MET 60 Cb 0.52 1.85 -0.09 0.00 -0.71 0.00 0.00 33.22 34.79 1u20 n MET 60 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1u20 s MET 61 N -3.39 1.09 -0.21 0.03 0.23 -0.22 -0.76 119.30 116.06 1u20 s MET 61 Ca 0.22 -1.36 -0.14 0.00 -1.03 0.00 0.00 55.69 53.39 1u20 s MET 61 Cb 0.01 0.31 -0.04 0.00 -1.53 0.00 0.00 34.83 33.58 1u20 s MET 61 CO 0.15 -0.36 0.29 1.41 -2.03 0.00 0.00 175.02 174.49 1u20 s MET 62 N -4.03 4.14 0.59 3.16 -2.45 -0.33 -1.53 119.30 118.84 1u20 s MET 62 Ca 0.24 0.00 -0.06 0.00 -1.25 0.00 0.00 55.69 54.62 1u20 s MET 62 Cb 0.05 -3.53 0.01 0.00 1.25 0.00 0.00 34.83 32.62 1u20 s MET 62 CO 0.03 0.03 0.90 1.03 1.05 0.00 0.00 175.02 178.05 1u20 s ARG 63 N 1.14 2.91 0.56 4.11 0.52 0.12 -0.28 118.95 128.03 1u20 s ARG 63 Ca 0.14 -0.03 0.29 0.00 -0.52 0.00 0.00 55.73 55.61 1u20 s ARG 63 Cb -0.14 -2.28 1.47 0.00 0.52 0.00 0.00 34.95 34.52 1u20 s ARG 63 CO 0.06 -0.70 1.92 0.27 0.02 0.00 0.00 175.30 176.87 1u20 h PHE 64 N -0.16 0.00 -0.38 -0.53 -0.00 -1.36 -1.26 116.94 113.24 1u20 h PHE 64 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.52 1u20 h PHE 64 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.21 1u20 h PHE 64 CO 0.47 0.00 0.00 -0.40 -0.00 0.00 0.00 178.31 178.38 1u20 n ASP 65 N -4.01 2.39 0.00 -0.68 5.68 -1.26 -4.88 116.55 113.80 1u20 n ASP 65 Ca 0.12 -2.10 0.00 0.00 -0.50 0.00 0.00 54.79 52.31 1u20 n ASP 65 Cb 0.74 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 1u20 n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1u20 n GLY 66 N 0.98 0.54 3.56 6.12 0.00 -0.47 -5.04 105.19 110.88 1u20 n GLY 66 Ca 0.14 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 1u20 n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u20 s ARG 67 N -0.39 2.01 0.36 1.61 0.52 -1.26 -4.87 118.95 116.93 1u20 s ARG 67 Ca 0.00 -1.41 -0.18 0.00 -0.52 0.00 0.00 55.73 53.62 1u20 s ARG 67 Cb 0.00 -2.07 -0.10 0.00 0.52 0.00 0.00 34.95 33.31 1u20 s ARG 67 CO 0.00 0.40 0.82 -0.51 0.02 0.00 0.00 175.30 176.03 1u20 s LEU 68 N -3.15 4.03 0.19 2.53 1.43 0.75 0.11 118.68 124.57 1u20 s LEU 68 Ca 0.27 1.45 -0.23 0.00 -1.03 0.00 0.00 54.13 54.60 1u20 s LEU 68 Cb -0.07 -4.24 0.07 0.00 0.03 0.00 0.00 46.19 41.97 1u20 s LEU 68 CO 0.16 -0.26 0.99 -0.83 0.23 0.00 0.00 176.35 176.64 1u20 s GLY 69 N -2.21 0.00 0.18 -3.19 0.00 -0.59 -0.72 107.32 100.80 1u20 s GLY 69 Ca 0.57 -0.19 -0.08 0.00 0.00 0.00 0.00 44.72 45.02 1u20 s GLY 69 CO 0.16 1.21 0.46 -1.36 0.00 0.00 0.00 173.10 173.57 1u20 s PHE 70 N -2.61 3.46 0.54 1.90 0.40 -1.26 -1.06 117.98 119.35 1u20 s PHE 70 Ca 0.17 0.73 -0.21 0.00 -0.60 0.00 0.00 56.93 57.02 1u20 s PHE 70 Cb -0.02 -2.14 -0.05 0.00 0.51 0.00 0.00 43.02 41.32 1u20 s PHE 70 CO 0.05 0.37 1.28 -1.25 0.70 0.00 0.00 175.22 176.36 1u20 s PRO 71 N -2.64 3.25 0.00 0.24 0.04 -1.25 -4.71 135.00 129.92 1u20 s PRO 71 Ca 0.43 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1u20 s PRO 71 Cb -0.12 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1u20 s PRO 71 CO 0.22 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.63 1u20 n GLY 72 N 0.62 0.62 0.00 0.56 0.00 -1.26 -0.95 105.19 104.79 1u20 n GLY 72 Ca 0.10 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1u20 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u20 n GLY 73 N 0.00 -1.59 3.77 -0.02 0.00 0.13 -4.92 105.19 102.55 1u20 n GLY 73 Ca 0.00 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.48 1u20 n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u20 s PHE 74 N -2.79 2.63 -0.05 1.61 0.08 -1.26 -0.57 117.98 117.63 1u20 s PHE 74 Ca 0.00 1.35 -0.01 0.00 0.12 0.00 0.00 56.93 58.38 1u20 s PHE 74 Cb 0.00 -3.77 0.03 0.00 -0.57 0.00 0.00 43.02 38.70 1u20 s PHE 74 CO 0.00 -2.49 0.03 0.08 -0.10 0.00 0.00 175.22 172.74 1u20 s VAL 75 N -1.25 0.13 -0.78 -0.44 1.01 0.30 -4.85 120.40 114.51 1u20 s VAL 75 Ca 0.60 0.26 -0.25 0.00 0.00 0.00 0.00 61.98 62.59 1u20 s VAL 75 Cb -0.40 -0.32 0.05 0.00 0.00 0.00 0.00 36.38 35.70 1u20 s VAL 75 CO 0.51 0.21 1.24 -0.62 0.00 0.00 0.00 175.10 176.45 1u20 s ASP 76 N 1.94 6.24 0.65 3.32 -1.08 -1.26 -4.14 116.67 122.33 1u20 s ASP 76 Ca 0.03 -0.79 0.41 0.00 -0.52 0.00 0.00 52.55 51.68 1u20 s ASP 76 Cb -0.12 -2.53 2.26 0.00 -1.46 0.00 0.00 42.92 41.07 1u20 s ASP 76 CO -0.04 -1.67 2.33 0.00 0.52 0.00 0.00 175.17 176.31 1u20 h THR 77 N 6.14 0.12 0.00 1.71 1.03 -1.92 -1.13 112.91 118.86 1u20 h THR 77 Ca -0.18 -0.03 -0.08 0.00 -0.01 0.00 0.00 66.41 66.10 1u20 h THR 77 Cb 1.05 1.03 -0.01 0.00 -1.07 0.00 0.00 68.15 69.14 1u20 h THR 77 CO 1.28 0.00 -0.39 0.03 -0.01 0.00 0.00 175.52 176.43 1u20 h ARG 78 N 0.00 0.00 0.00 0.00 3.08 -1.99 -3.36 114.38 112.11 1u20 h ARG 78 Ca -0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 1u20 h ARG 78 Cb 0.03 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1u20 h ARG 78 CO 0.00 0.39 -1.18 -3.47 -1.07 0.00 0.00 179.97 174.64 1u20 n ASP 79 N -3.30 1.85 -4.13 7.04 4.64 -0.51 -5.04 116.55 117.11 1u20 n ASP 79 Ca 0.01 0.46 -0.09 0.00 -1.38 0.00 0.00 54.79 53.80 1u20 n ASP 79 Cb 0.62 -0.93 -0.10 0.00 -1.04 0.00 0.00 41.12 39.67 1u20 n ASP 79 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 1u20 s ILE 80 N -2.35 0.26 0.97 5.18 -4.36 -0.69 -5.12 121.20 115.08 1u20 s ILE 80 Ca -0.26 -1.87 -0.12 0.00 -0.26 0.00 0.00 60.65 58.14 1u20 s ILE 80 Cb 0.06 -1.74 0.17 0.00 1.25 0.00 0.00 42.46 42.20 1u20 s ILE 80 CO 0.50 -0.78 1.08 -0.94 0.24 0.00 0.00 174.94 175.04 1u20 s SER 81 N -2.99 2.72 0.22 4.36 1.04 -1.26 -3.99 113.70 113.80 1u20 s SER 81 Ca 0.14 1.52 -0.08 0.00 0.48 0.00 0.00 55.95 58.01 1u20 s SER 81 Cb 0.07 -2.19 0.17 0.00 0.10 0.00 0.00 66.02 64.18 1u20 s SER 81 CO -0.05 -3.12 1.82 -0.07 0.98 0.00 0.00 173.24 172.81 1u20 h LEU 82 N -1.88 1.06 -0.57 2.42 3.38 -1.95 -1.81 115.31 115.96 1u20 h LEU 82 Ca -0.52 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.20 1u20 h LEU 82 Cb 1.30 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1u20 h LEU 82 CO 0.53 0.88 -0.25 -0.33 0.09 0.00 0.00 178.44 179.35 1u20 h GLU 83 N 1.16 0.87 -0.30 1.13 3.07 -1.92 -1.40 114.58 117.19 1u20 h GLU 83 Ca 0.29 -0.38 -0.05 0.00 -0.50 0.00 0.00 59.36 58.72 1u20 h GLU 83 Cb 0.08 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1u20 h GLU 83 CO -0.04 1.02 -0.00 1.49 -1.40 0.00 0.00 179.01 180.08 1u20 h GLU 84 N 0.75 0.53 -0.57 2.33 4.57 -1.86 -1.10 114.58 119.23 1u20 h GLU 84 Ca 0.09 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1u20 h GLU 84 Cb 0.80 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.32 1u20 h GLU 84 CO 0.07 0.68 0.31 0.78 -1.18 0.00 0.00 179.01 179.66 1u20 h GLY 85 N 0.32 0.85 0.97 1.92 0.00 -1.29 -1.38 103.07 104.47 1u20 h GLY 85 Ca 0.08 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1u20 h GLY 85 CO 0.02 0.37 0.06 -2.00 0.00 0.00 0.00 176.54 174.99 1u20 h LEU 86 N 0.77 0.11 -0.50 3.11 5.85 -1.14 -1.75 115.31 121.75 1u20 h LEU 86 Ca 0.20 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.97 1u20 h LEU 86 Cb 0.05 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 1u20 h LEU 86 CO -0.03 0.11 0.11 0.50 -0.34 0.00 0.00 178.44 178.78 1u20 h LYS 87 N 0.09 0.24 -0.72 1.25 3.64 -0.95 0.27 116.57 120.38 1u20 h LYS 87 Ca 0.03 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1u20 h LYS 87 Cb 0.02 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1u20 h LYS 87 CO -0.01 0.16 0.22 0.00 -2.27 0.00 0.00 179.45 177.55 1u20 h ARG 88 N 0.24 1.13 -0.46 1.90 3.08 -1.00 -1.99 114.38 117.29 1u20 h ARG 88 Ca 0.25 -0.25 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 1u20 h ARG 88 Cb 0.33 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1u20 h ARG 88 CO -0.32 0.97 -0.26 1.49 -1.07 0.00 0.00 179.97 180.78 1u20 h GLU 89 N 1.08 0.99 -0.69 0.04 4.57 -0.46 -2.58 114.58 117.53 1u20 h GLU 89 Ca 0.23 -0.45 -0.03 0.00 -1.18 0.00 0.00 59.36 57.93 1u20 h GLU 89 Cb 0.32 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 1u20 h GLU 89 CO -0.01 1.12 0.29 -0.07 -1.18 0.00 0.00 179.01 179.17 1u20 h LEU 90 N 0.84 0.92 -0.21 1.64 3.38 -0.23 -1.26 115.31 120.39 1u20 h LEU 90 Ca 0.10 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1u20 h LEU 90 Cb 0.85 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1u20 h LEU 90 CO 0.07 0.81 0.01 -0.08 0.09 0.00 0.00 178.44 179.34 1u20 h GLU 91 N 0.99 0.37 -1.01 1.13 4.81 -1.28 0.50 114.58 120.09 1u20 h GLU 91 Ca 0.23 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1u20 h GLU 91 Cb 0.17 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.46 1u20 h GLU 91 CO -0.02 0.55 0.67 0.93 -0.73 0.00 0.00 179.01 180.41 1u20 h GLU 92 N 0.14 1.29 0.19 1.92 5.08 -1.23 0.22 114.58 122.19 1u20 h GLU 92 Ca 0.06 -0.08 -0.33 0.00 -1.00 0.00 0.00 59.36 58.01 1u20 h GLU 92 Cb 0.38 -0.29 0.02 0.00 0.50 0.00 0.00 28.75 29.36 1u20 h GLU 92 CO 0.01 0.86 -1.55 0.93 -1.00 0.00 0.00 179.01 178.25 1u20 h GLU 93 N 1.33 0.41 0.00 2.33 5.08 -1.06 -2.28 114.58 120.39 1u20 h GLU 93 Ca 0.38 -0.70 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1u20 h GLU 93 Cb -0.10 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1u20 h GLU 93 CO -0.10 1.32 -1.21 1.28 -1.00 0.00 0.00 179.01 179.30 1u20 n LEU 94 N -3.60 0.19 0.00 1.33 4.77 0.17 -4.69 117.00 115.17 1u20 n LEU 94 Ca -0.18 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1u20 n LEU 94 Cb 1.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 1u20 n LEU 94 CO 0.55 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1u20 n GLY 95 N 1.63 0.94 0.32 -0.72 0.00 0.76 -2.98 105.19 105.14 1u20 n GLY 95 Ca -0.01 -2.09 0.20 0.00 0.00 0.00 0.00 46.02 44.13 1u20 n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u20 h PRO 96 N 0.00 0.00 -1.06 1.61 0.13 -1.85 -1.40 132.00 129.43 1u20 h PRO 96 Ca 0.00 0.00 0.31 0.00 -0.87 0.00 0.00 66.00 65.44 1u20 h PRO 96 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1u20 h PRO 96 CO 0.00 0.01 0.77 0.00 -0.23 0.00 0.00 178.00 178.55 1u20 h ALA 97 N 1.99 2.99 0.00 -0.56 0.00 -1.90 0.42 119.26 122.20 1u20 h ALA 97 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1u20 h ALA 97 Cb 0.09 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1u20 h ALA 97 CO 0.00 -1.32 0.00 -0.07 0.00 0.00 0.00 179.25 177.86 1u20 h LEU 98 N 0.00 0.00 -1.99 0.00 -0.00 -1.54 -3.11 115.31 108.67 1u20 h LEU 98 Ca 0.50 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 58.39 1u20 h LEU 98 Cb 2.05 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.70 1u20 h LEU 98 CO -0.01 0.00 0.04 0.00 -0.00 0.00 0.00 178.44 178.47 1u20 h ALA 99 N 2.17 2.03 -0.01 1.53 0.00 -0.32 -0.38 119.26 124.28 1u20 h ALA 99 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u20 h ALA 99 Cb 0.70 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1u20 h ALA 99 CO 0.00 -0.05 -0.01 0.25 0.00 0.00 0.00 179.25 179.44 1u20 n THR 100 N -4.53 0.00 -4.41 0.00 -2.24 -1.17 -4.83 114.28 97.10 1u20 n THR 100 Ca -0.02 -0.20 -0.34 0.00 -2.27 0.00 0.00 64.05 61.22 1u20 n THR 100 Cb 0.13 0.32 -0.14 0.00 -2.10 0.00 0.00 70.33 68.54 1u20 n THR 100 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1u20 s VAL 101 N -2.03 3.16 -0.42 2.28 -7.23 -0.15 -5.09 120.40 110.91 1u20 s VAL 101 Ca 0.39 -0.60 -0.07 0.00 -1.81 0.00 0.00 61.98 59.89 1u20 s VAL 101 Cb 0.21 -2.37 0.10 0.00 0.56 0.00 0.00 36.38 34.88 1u20 s VAL 101 CO 0.35 0.49 0.25 -1.83 -0.31 0.00 0.00 175.10 174.05 1u20 s GLU 102 N 0.79 2.40 -0.43 4.82 1.03 -1.26 -4.92 118.70 121.13 1u20 s GLU 102 Ca -0.04 -1.62 -0.23 0.00 0.03 0.00 0.00 54.97 53.11 1u20 s GLU 102 Cb -0.15 -3.73 0.02 0.00 -0.80 0.00 0.00 34.13 29.47 1u20 s GLU 102 CO 0.01 -1.03 0.78 0.08 -1.33 0.00 0.00 175.26 173.78 1u20 s VAL 103 N 1.32 4.67 0.40 1.83 1.01 -1.26 -5.03 120.40 123.34 1u20 s VAL 103 Ca 0.05 0.54 0.04 0.00 0.00 0.00 0.00 61.98 62.60 1u20 s VAL 103 Cb -0.24 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 31.88 1u20 s VAL 103 CO -0.01 -0.65 0.29 0.35 0.00 0.00 0.00 175.10 175.09 1u20 n THR 104 N 6.06 0.00 -0.06 3.92 -2.24 -1.26 -4.88 114.28 115.82 1u20 n THR 104 Ca 0.02 -1.57 0.13 0.00 -2.27 0.00 0.00 64.05 60.36 1u20 n THR 104 Cb 0.48 -0.15 0.53 0.00 -2.10 0.00 0.00 70.33 69.09 1u20 n THR 104 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1u20 h GLU 105 N 0.00 0.32 0.00 -0.78 5.08 -1.97 -0.41 114.58 116.83 1u20 h GLU 105 Ca -0.25 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1u20 h GLU 105 Cb 0.92 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1u20 h GLU 105 CO 0.39 0.21 0.00 -0.44 -1.00 0.00 0.00 179.01 178.18 1u20 h ASP 106 N 0.33 0.00 0.66 1.42 3.32 -1.99 -2.14 116.42 118.02 1u20 h ASP 106 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1u20 h ASP 106 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1u20 h ASP 106 CO -0.07 0.00 -0.37 0.47 -1.72 0.00 0.00 179.24 177.56 1u20 n ASP 107 N -2.90 0.37 -4.77 6.45 10.43 -0.17 -4.91 116.55 121.06 1u20 n ASP 107 Ca 0.00 -0.02 -0.40 0.00 2.57 0.00 0.00 54.79 56.94 1u20 n ASP 107 Cb 0.25 0.03 -0.01 0.00 1.84 0.00 0.00 41.12 43.23 1u20 n ASP 107 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1u20 s TYR 108 N -3.01 2.91 0.06 1.24 6.14 -0.81 -0.78 117.35 123.11 1u20 s TYR 108 Ca 0.12 1.42 0.00 0.00 0.64 0.00 0.00 57.07 59.24 1u20 s TYR 108 Cb 0.18 -3.66 0.00 0.00 0.42 0.00 0.00 41.96 38.90 1u20 s TYR 108 CO 0.65 -1.97 0.00 -2.13 0.64 0.00 0.00 175.55 172.75 1u20 n ARG 109 N 0.37 0.00 -3.59 4.97 3.00 -0.14 -4.84 116.66 116.43 1u20 n ARG 109 Ca 0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.77 1u20 n ARG 109 Cb 0.43 -0.42 -0.02 0.00 0.00 0.00 0.00 32.46 32.45 1u20 n ARG 109 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1u20 s SER 110 N -5.39 -0.44 0.01 6.15 1.04 -1.00 -5.00 113.70 109.07 1u20 s SER 110 Ca 0.00 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.21 1u20 s SER 110 Cb 0.00 0.64 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 1u20 s SER 110 CO 0.00 -1.10 -0.09 -0.44 0.98 0.00 0.00 173.24 172.59 1u20 s SER 111 N -2.82 1.10 0.09 7.02 0.01 -1.25 -0.22 113.70 117.63 1u20 s SER 111 Ca 0.05 -0.28 0.07 0.00 1.31 0.00 0.00 55.95 57.10 1u20 s SER 111 Cb -0.03 -0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.09 1u20 s SER 111 CO -0.06 0.04 -0.19 -1.10 0.41 0.00 0.00 173.24 172.34 1u20 s GLN 112 N -0.62 1.04 0.06 12.44 -0.21 -0.46 -2.34 119.66 129.58 1u20 s GLN 112 Ca 0.01 -1.11 0.07 0.00 0.02 0.00 0.00 55.36 54.35 1u20 s GLN 112 Cb -0.05 -1.22 -0.03 0.00 1.00 0.00 0.00 33.01 32.71 1u20 s GLN 112 CO 0.00 0.28 -0.18 0.54 -2.12 0.00 0.00 175.29 173.81 1u20 s VAL 113 N -1.23 1.49 0.03 1.09 0.11 0.10 -1.07 120.40 120.93 1u20 s VAL 113 Ca 0.04 -1.27 0.02 0.00 -2.93 0.00 0.00 61.98 57.83 1u20 s VAL 113 Cb -0.10 -1.34 -0.02 0.00 -1.53 0.00 0.00 36.38 33.39 1u20 s VAL 113 CO 0.04 0.03 -0.06 -0.13 -3.33 0.00 0.00 175.10 171.64 1u20 s ARG 114 N -1.46 0.45 -0.08 1.54 0.52 0.24 -2.65 118.95 117.51 1u20 s ARG 114 Ca 0.05 -0.64 0.07 0.00 -0.52 0.00 0.00 55.73 54.68 1u20 s ARG 114 Cb -0.09 -0.20 -0.10 0.00 0.52 0.00 0.00 34.95 35.08 1u20 s ARG 114 CO 0.02 0.03 0.02 0.39 0.02 0.00 0.00 175.30 175.79 1u20 n GLU 115 N 1.69 2.53 -5.11 3.54 4.71 -1.26 -1.47 120.64 125.26 1u20 n GLU 115 Ca -0.22 -0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.64 1u20 n GLU 115 Cb 0.55 -1.21 -0.16 0.00 -1.01 0.00 0.00 31.44 29.61 1u20 n GLU 115 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1u20 s HIS 116 N -2.20 2.14 0.24 -0.32 3.76 -1.26 -3.14 115.29 114.52 1u20 s HIS 116 Ca -0.05 -0.58 0.05 0.00 -0.15 0.00 0.00 55.06 54.34 1u20 s HIS 116 Cb 0.03 -1.41 0.27 0.00 1.11 0.00 0.00 32.58 32.58 1u20 s HIS 116 CO 0.33 -0.16 1.57 -1.00 -0.85 0.00 0.00 174.74 174.63 1u20 h PRO 117 N 6.00 0.20 -5.06 8.40 0.13 -2.03 -3.49 132.00 136.16 1u20 h PRO 117 Ca -0.34 -0.14 -0.34 0.00 -0.87 0.00 0.00 66.00 64.30 1u20 h PRO 117 Cb 1.16 0.02 -0.19 0.00 0.13 0.00 0.00 31.00 32.13 1u20 h PRO 117 CO 0.47 0.74 -0.74 1.14 -0.23 0.00 0.00 178.00 179.38 1u20 s GLN 118 N -3.75 0.84 -0.44 0.86 1.03 -1.22 -5.09 119.66 111.90 1u20 s GLN 118 Ca -0.04 -1.10 -0.27 0.00 0.04 0.00 0.00 55.36 53.99 1u20 s GLN 118 Cb 0.12 -0.61 -0.04 0.00 0.03 0.00 0.00 33.01 32.50 1u20 s GLN 118 CO 0.79 0.11 2.11 0.15 -2.54 0.00 0.00 175.29 175.92 1u20 s LYS 119 N -2.50 2.67 -0.03 9.60 1.02 -1.19 -4.15 119.74 125.17 1u20 s LYS 119 Ca 0.03 1.33 0.01 0.00 0.02 0.00 0.00 55.97 57.37 1u20 s LYS 119 Cb -0.05 -4.42 0.02 0.00 -0.52 0.00 0.00 37.83 32.86 1u20 s LYS 119 CO 0.01 -2.64 -0.03 0.00 -0.92 0.00 0.00 175.35 171.77 1u20 s VAL 121 N 0.63 3.13 -0.17 0.00 1.01 0.81 -0.59 120.40 125.22 1u20 s VAL 121 Ca -0.07 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 1u20 s VAL 121 Cb -0.11 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.94 1u20 s VAL 121 CO -0.00 0.51 -0.14 -0.89 0.00 0.00 0.00 175.10 174.58 1u20 s THR 122 N 0.49 2.73 -0.14 3.92 2.01 -0.23 -1.17 115.64 123.25 1u20 s THR 122 Ca -0.08 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.14 1u20 s THR 122 Cb -0.16 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 1u20 s THR 122 CO 0.04 0.50 0.01 -1.00 -0.69 0.00 0.00 174.62 173.49 1u20 s HIS 123 N 0.96 3.16 -0.13 4.92 3.76 0.10 -1.35 115.29 126.72 1u20 s HIS 123 Ca -0.02 0.02 -0.00 0.00 -0.15 0.00 0.00 55.06 54.91 1u20 s HIS 123 Cb -0.15 -1.93 -0.01 0.00 1.11 0.00 0.00 32.58 31.60 1u20 s HIS 123 CO -0.02 0.24 -0.13 0.12 -0.85 0.00 0.00 174.74 174.09 1u20 s PHE 124 N -0.15 2.81 0.09 1.40 5.99 0.69 -1.37 117.98 127.44 1u20 s PHE 124 Ca 0.05 -0.69 0.08 0.00 0.00 0.00 0.00 56.93 56.37 1u20 s PHE 124 Cb -0.12 -1.86 -0.04 0.00 0.00 0.00 0.00 43.02 41.00 1u20 s PHE 124 CO 0.02 -0.25 -0.15 0.71 -0.00 0.00 0.00 175.22 175.55 1u20 s TYR 125 N 0.43 2.62 -0.09 10.12 1.51 -0.10 -0.97 117.35 130.88 1u20 s TYR 125 Ca -0.10 -0.22 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 1u20 s TYR 125 Cb -0.16 -1.41 0.02 0.00 -0.11 0.00 0.00 41.96 40.31 1u20 s TYR 125 CO 0.05 0.37 -0.07 0.42 -1.11 0.00 0.00 175.55 175.22 1u20 s ILE 126 N -1.12 0.86 -0.08 2.71 1.01 0.04 -1.26 121.20 123.36 1u20 s ILE 126 Ca 0.18 -0.23 -0.00 0.00 0.00 0.00 0.00 60.65 60.60 1u20 s ILE 126 Cb -0.11 -0.89 0.02 0.00 0.01 0.00 0.00 42.46 41.50 1u20 s ILE 126 CO 0.10 0.33 -0.05 -0.75 0.00 0.00 0.00 174.94 174.57 1u20 s LYS 127 N 1.43 1.11 0.16 2.79 2.20 -0.20 -4.69 119.74 122.55 1u20 s LYS 127 Ca -0.01 -0.12 -0.28 0.00 -0.36 0.00 0.00 55.97 55.19 1u20 s LYS 127 Cb -0.13 -1.23 -0.07 0.00 -1.51 0.00 0.00 37.83 34.88 1u20 s LYS 127 CO -0.04 -0.22 0.89 -2.00 -0.36 0.00 0.00 175.35 173.62 1u20 s GLU 128 N 1.56 4.70 0.39 4.03 2.12 -1.26 -2.02 118.70 128.21 1u20 s GLU 128 Ca 0.00 1.35 0.03 0.00 0.36 0.00 0.00 54.97 56.72 1u20 s GLU 128 Cb -0.13 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 1u20 s GLU 128 CO -0.05 0.41 0.10 -0.51 -0.54 0.00 0.00 175.26 174.67 1u20 s LEU 129 N -0.67 2.07 0.43 2.70 1.43 0.15 -4.91 118.68 119.87 1u20 s LEU 129 Ca 0.41 -1.57 -0.22 0.00 -1.03 0.00 0.00 54.13 51.73 1u20 s LEU 129 Cb -0.24 -0.24 -0.10 0.00 0.03 0.00 0.00 46.19 45.64 1u20 s LEU 129 CO 0.29 -0.81 0.98 -0.54 0.23 0.00 0.00 176.35 176.49 1u20 s LYS 130 N -3.79 4.17 0.25 1.70 -0.14 -1.26 -4.21 119.74 116.45 1u20 s LYS 130 Ca 0.27 1.24 -0.03 0.00 -1.36 0.00 0.00 55.97 56.08 1u20 s LYS 130 Cb 0.05 -2.27 0.46 0.00 -1.68 0.00 0.00 37.83 34.39 1u20 s LYS 130 CO 0.14 -0.09 1.75 1.25 -0.76 0.00 0.00 175.35 177.64 1u20 h LEU 131 N 2.04 0.41 -1.73 3.17 5.85 -1.90 0.39 115.31 123.54 1u20 h LEU 131 Ca -0.49 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1u20 h LEU 131 Cb 1.19 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1u20 h LEU 131 CO 0.61 0.18 0.19 1.05 -0.34 0.00 0.00 178.44 180.13 1u20 h GLU 132 N 0.54 0.37 -0.23 1.25 -0.00 -1.94 0.82 114.58 115.39 1u20 h GLU 132 Ca 0.42 -0.02 -0.09 0.00 -0.00 0.00 0.00 59.36 59.67 1u20 h GLU 132 Cb 0.59 -0.08 -0.00 0.00 -0.00 0.00 0.00 28.75 29.25 1u20 h GLU 132 CO -0.36 0.24 -0.19 0.93 -0.00 0.00 0.00 179.01 179.63 1u20 h GLU 133 N 0.38 0.54 -0.46 1.06 5.08 -1.32 -1.01 114.58 118.83 1u20 h GLU 133 Ca 0.10 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1u20 h GLU 133 Cb -0.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1u20 h GLU 133 CO -0.02 0.85 0.27 0.82 -1.00 0.00 0.00 179.01 179.92 1u20 h ILE 134 N 0.24 1.03 -0.61 3.13 1.08 -0.75 -0.61 117.51 121.02 1u20 h ILE 134 Ca 0.04 -0.18 -0.04 0.00 -0.39 0.00 0.00 64.86 64.29 1u20 h ILE 134 Cb 0.73 0.45 -0.03 0.00 -3.07 0.00 0.00 36.82 34.90 1u20 h ILE 134 CO 0.05 0.10 0.21 -0.33 -0.69 0.00 0.00 178.15 177.49 1u20 h GLU 135 N 0.53 0.90 -0.23 2.37 5.08 -0.75 -1.71 114.58 120.78 1u20 h GLU 135 Ca 0.19 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 1u20 h GLU 135 Cb 0.03 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1u20 h GLU 135 CO -0.10 0.76 -0.37 -0.09 -1.00 0.00 0.00 179.01 178.21 1u20 h ARG 136 N 0.88 0.51 -0.34 2.33 2.43 -0.82 -1.67 114.38 117.70 1u20 h ARG 136 Ca 0.20 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1u20 h ARG 136 Cb 0.22 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1u20 h ARG 136 CO -0.01 0.81 0.15 0.82 -1.51 0.00 0.00 179.97 180.22 1u20 h ILE 137 N 0.43 1.18 -0.90 1.20 2.04 -0.46 -1.98 117.51 119.02 1u20 h ILE 137 Ca 0.04 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1u20 h ILE 137 Cb 0.85 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 1u20 h ILE 137 CO 0.07 0.19 0.54 -0.33 0.00 0.00 0.00 178.15 178.62 1u20 h GLU 138 N 0.40 1.22 -0.33 2.37 5.08 -1.13 0.99 114.58 123.18 1u20 h GLU 138 Ca 0.11 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1u20 h GLU 138 Cb 0.16 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1u20 h GLU 138 CO -0.01 0.86 -0.15 0.00 -1.00 0.00 0.00 179.01 178.71 1u20 h ALA 139 N 1.35 1.12 0.00 3.43 0.00 -0.99 -3.13 119.26 121.04 1u20 h ALA 139 Ca 0.32 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1u20 h ALA 139 Cb -0.05 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1u20 h ALA 139 CO -0.06 0.55 -1.07 0.39 0.00 0.00 0.00 179.25 179.06 1u20 n GLU 140 N -4.17 0.14 0.25 0.00 1.02 -0.77 -4.12 120.64 112.99 1u20 n GLU 140 Ca 0.01 -0.03 0.09 0.00 -0.02 0.00 0.00 57.16 57.21 1u20 n GLU 140 Cb 0.36 -1.52 0.65 0.00 -0.02 0.00 0.00 31.44 30.90 1u20 n GLU 140 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u20 h ALA 141 N 2.79 1.73 0.00 0.62 0.00 -0.70 -1.41 119.26 122.29 1u20 h ALA 141 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1u20 h ALA 141 Cb 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1u20 h ALA 141 CO 0.00 0.10 0.00 -0.39 0.00 0.00 0.00 179.25 178.96 1u20 h VAL 142 N 0.00 0.00 -0.37 0.00 -1.51 -1.72 -1.71 116.25 110.94 1u20 h VAL 142 Ca -0.00 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 1u20 h VAL 142 Cb 0.15 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 1u20 h VAL 142 CO 0.01 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 175.89 1u20 n ASN 143 N -2.71 3.10 -4.75 4.19 0.23 -0.55 -4.87 115.26 109.91 1u20 n ASN 143 Ca 0.01 -1.91 -0.36 0.00 -0.53 0.00 0.00 54.58 51.79 1u20 n ASN 143 Cb 0.24 -0.25 0.04 0.00 -2.08 0.00 0.00 39.78 37.74 1u20 n ASN 143 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1u20 s ALA 144 N -1.12 2.48 0.30 -2.53 0.00 -0.64 -4.92 121.76 115.32 1u20 s ALA 144 Ca 0.30 0.97 0.04 0.00 0.00 0.00 0.00 51.96 53.27 1u20 s ALA 144 Cb 0.17 -3.45 0.67 0.00 0.00 0.00 0.00 23.12 20.51 1u20 s ALA 144 CO 0.23 -1.28 1.82 -0.22 0.00 0.00 0.00 175.76 176.30 1u20 h LYS 145 N 0.66 0.84 -0.00 0.00 3.64 -1.81 -2.49 116.57 117.39 1u20 h LYS 145 Ca -0.50 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1u20 h LYS 145 Cb 1.30 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1u20 h LYS 145 CO 0.54 0.55 -0.22 -0.25 -2.27 0.00 0.00 179.45 177.80 1u20 n ASP 146 N -4.67 0.66 -4.70 4.20 9.92 -0.86 -4.88 116.55 116.21 1u20 n ASP 146 Ca 0.21 -0.58 -0.42 0.00 -0.53 0.00 0.00 54.79 53.47 1u20 n ASP 146 Cb 0.46 0.03 -0.03 0.00 -0.64 0.00 0.00 41.12 40.94 1u20 n ASP 146 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 1u20 s HIS 147 N -2.60 2.50 0.00 1.24 2.46 -0.94 -1.40 115.29 116.55 1u20 s HIS 147 Ca 0.23 0.18 0.00 0.00 0.47 0.00 0.00 55.06 55.94 1u20 s HIS 147 Cb 0.19 -4.13 0.00 0.00 -0.13 0.00 0.00 32.58 28.51 1u20 s HIS 147 CO 0.53 -4.51 0.00 0.41 -2.47 0.00 0.00 174.74 168.70 1u20 n GLY 148 N 4.09 0.74 0.00 1.59 0.00 0.19 -4.89 105.19 106.91 1u20 n GLY 148 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1u20 n GLY 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u20 n LEU 149 N 0.00 0.00 0.23 0.99 4.77 -0.49 -4.92 117.00 117.57 1u20 n LEU 149 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 1u20 n LEU 149 Cb 0.00 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.62 1u20 n LEU 149 CO 0.00 0.00 0.93 -0.33 -1.33 0.00 0.00 177.39 176.66 1u20 h GLU 150 N 0.00 0.00 -5.03 3.23 3.07 -1.81 -3.37 114.58 110.68 1u20 h GLU 150 Ca 0.00 0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 58.19 1u20 h GLU 150 Cb 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 27.58 1u20 h GLU 150 CO 0.00 0.15 -0.82 0.08 -1.40 0.00 0.00 179.01 177.02 1u20 s VAL 151 N -4.70 2.39 -2.76 3.13 1.01 -0.71 -1.34 120.40 117.42 1u20 s VAL 151 Ca -0.04 -0.89 0.26 0.00 0.00 0.00 0.00 61.98 61.31 1u20 s VAL 151 Cb 0.16 -2.06 0.33 0.00 0.00 0.00 0.00 36.38 34.81 1u20 s VAL 151 CO 0.69 0.47 1.45 0.23 0.00 0.00 0.00 175.10 177.94 1u20 n MET 152 N 4.65 2.02 0.00 2.72 2.81 0.62 -0.64 117.12 129.30 1u20 n MET 152 Ca -0.20 -1.51 0.00 0.00 -1.81 0.00 0.00 57.70 54.19 1u20 n MET 152 Cb 0.50 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.54 1u20 n MET 152 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u20 n GLY 153 N 1.28 4.00 3.87 3.03 0.00 -1.23 -4.81 105.19 111.33 1u20 n GLY 153 Ca 0.16 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 1u20 n GLY 153 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u20 s LEU 154 N 0.00 4.38 0.09 0.99 1.43 -1.26 -1.18 118.68 123.13 1u20 s LEU 154 Ca 0.00 0.71 0.03 0.00 -1.03 0.00 0.00 54.13 53.84 1u20 s LEU 154 Cb 0.00 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 1u20 s LEU 154 CO 0.00 0.25 -0.09 0.27 0.23 0.00 0.00 176.35 177.00 1u20 s ILE 155 N -1.28 0.85 -0.06 -0.59 -5.25 0.06 -4.95 121.20 109.98 1u20 s ILE 155 Ca 0.28 -1.62 -0.04 0.00 -0.99 0.00 0.00 60.65 58.28 1u20 s ILE 155 Cb -0.14 -1.32 -0.04 0.00 2.95 0.00 0.00 42.46 43.91 1u20 s ILE 155 CO 0.15 -0.59 0.12 -0.13 -1.79 0.00 0.00 174.94 172.71 1u20 s ARG 156 N -2.82 3.31 -0.31 0.37 0.52 -1.26 -1.09 118.95 117.67 1u20 s ARG 156 Ca 0.05 -0.28 -0.23 0.00 -0.52 0.00 0.00 55.73 54.74 1u20 s ARG 156 Cb -0.02 -3.05 0.00 0.00 0.52 0.00 0.00 34.95 32.40 1u20 s ARG 156 CO -0.01 0.72 0.79 0.08 0.02 0.00 0.00 175.30 176.90 1u20 s VAL 157 N -1.12 4.79 0.09 3.52 1.01 -0.24 -4.95 120.40 123.49 1u20 s VAL 157 Ca 0.20 1.18 -0.31 0.00 0.00 0.00 0.00 61.98 63.05 1u20 s VAL 157 Cb -0.12 -4.15 -0.08 0.00 0.00 0.00 0.00 36.38 32.04 1u20 s VAL 157 CO 0.10 -0.25 1.42 -2.16 0.00 0.00 0.00 175.10 174.21 1u20 s PRO 158 N 2.96 4.30 0.05 2.72 0.04 -1.26 -4.57 135.00 139.24 1u20 s PRO 158 Ca 0.32 2.09 0.22 0.00 0.04 0.00 0.00 61.00 63.67 1u20 s PRO 158 Cb -0.14 -3.35 -0.14 0.00 0.04 0.00 0.00 34.50 30.92 1u20 s PRO 158 CO 0.13 -0.50 0.81 1.28 0.04 0.00 0.00 177.00 178.75 1u20 n LEU 159 N 4.41 0.45 -4.94 -3.56 4.77 -1.26 -3.56 117.00 113.31 1u20 n LEU 159 Ca 0.12 0.04 -0.25 0.00 -0.03 0.00 0.00 56.01 55.90 1u20 n LEU 159 Cb 0.42 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.48 1u20 n LEU 159 CO 0.59 -0.02 0.36 -0.72 -1.33 0.00 0.00 177.39 176.28 1u20 s TYR 160 N -3.35 3.29 -0.11 -1.77 -0.85 -1.26 -4.74 117.35 108.55 1u20 s TYR 160 Ca -0.02 0.42 0.02 0.00 -0.52 0.00 0.00 57.07 56.97 1u20 s TYR 160 Cb 0.13 -2.40 -0.01 0.00 0.38 0.00 0.00 41.96 40.06 1u20 s TYR 160 CO 0.85 -0.44 -0.17 0.99 -1.52 0.00 0.00 175.55 175.25 1u20 s THR 161 N -2.68 2.69 1.06 -3.49 2.01 -1.26 -0.77 115.64 113.20 1u20 s THR 161 Ca 0.49 -0.80 -0.18 0.00 0.31 0.00 0.00 61.69 61.51 1u20 s THR 161 Cb -0.10 -2.09 0.25 0.00 0.01 0.00 0.00 72.50 70.57 1u20 s THR 161 CO 0.41 0.54 1.29 -0.76 -0.69 0.00 0.00 174.62 175.41 1u20 s LEU 162 N 0.22 2.14 0.39 4.42 1.43 -0.19 -4.91 118.68 122.18 1u20 s LEU 162 Ca -0.11 0.25 0.09 0.00 -1.03 0.00 0.00 54.13 53.33 1u20 s LEU 162 Cb -0.16 -2.11 0.81 0.00 0.03 0.00 0.00 46.19 44.76 1u20 s LEU 162 CO 0.06 -3.31 1.95 0.03 0.23 0.00 0.00 176.35 175.31 1u20 h ARG 163 N -2.04 0.31 0.00 1.70 3.08 -2.00 -0.41 114.38 115.02 1u20 h ARG 163 Ca -0.44 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1u20 h ARG 163 Cb 1.23 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1u20 h ARG 163 CO 0.31 0.37 0.00 -0.40 -1.07 0.00 0.00 179.97 179.18 1u20 n ASP 164 N -4.33 0.00 0.00 7.04 3.85 -1.26 -4.84 116.55 117.02 1u20 n ASP 164 Ca -0.00 -0.81 0.00 0.00 -0.71 0.00 0.00 54.79 53.27 1u20 n ASP 164 Cb 0.22 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.99 1u20 n ASP 164 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1u20 n ARG 165 N -0.88 -0.95 0.00 0.11 1.74 -0.16 -4.73 116.66 111.78 1u20 n ARG 165 Ca 0.12 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 1u20 n ARG 165 Cb 0.05 -4.14 0.00 0.00 -1.02 0.00 0.00 32.46 27.35 1u20 n ARG 165 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1u20 n VAL 166 N -2.27 0.00 -1.55 1.55 0.31 -1.26 -4.88 118.33 110.22 1u20 n VAL 166 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 1u20 n VAL 166 Cb 0.24 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 1u20 n VAL 166 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u20 n GLY 167 N 2.80 -0.63 0.62 2.92 0.00 -1.26 -1.64 105.19 107.99 1u20 n GLY 167 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1u20 n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u20 n GLY 168 N 1.39 0.97 0.26 -0.02 0.00 -1.26 -1.03 105.19 105.50 1u20 n GLY 168 Ca 0.10 -1.41 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 1u20 n GLY 168 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1u20 h LEU 169 N 0.00 -0.68 -0.22 0.99 5.85 -1.00 0.10 115.31 120.35 1u20 h LEU 169 Ca 0.00 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.87 1u20 h LEU 169 Cb 0.00 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1u20 h LEU 169 CO 0.00 -0.29 -0.10 -0.65 -0.34 0.00 0.00 178.44 177.06 1u20 h PRO 170 N -0.33 -0.07 -0.77 5.25 0.11 -1.80 -0.63 132.00 133.76 1u20 h PRO 170 Ca 0.07 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.20 1u20 h PRO 170 Cb 0.44 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.52 1u20 h PRO 170 CO -0.24 -0.05 0.50 0.00 -0.21 0.00 0.00 178.00 178.01 1u20 h ALA 171 N 1.12 0.98 -0.90 -0.75 0.00 -1.11 -2.02 119.26 116.58 1u20 h ALA 171 Ca 0.12 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.10 1u20 h ALA 171 Cb 0.25 -0.31 -0.09 0.00 0.00 0.00 0.00 17.79 17.64 1u20 h ALA 171 CO -0.27 0.40 0.52 0.35 0.00 0.00 0.00 179.25 180.25 1u20 h PHE 172 N 1.05 0.92 0.00 0.00 3.04 0.40 0.16 116.94 122.51 1u20 h PHE 172 Ca 0.28 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.26 1u20 h PHE 172 Cb -0.11 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.13 1u20 h PHE 172 CO -0.02 0.30 0.00 1.28 -2.02 0.00 0.00 178.31 177.85 1u20 n LEU 173 N -4.76 0.00 -0.20 0.59 4.77 -0.36 -1.63 117.00 115.40 1u20 n LEU 173 Ca 0.17 0.29 0.15 0.00 -0.03 0.00 0.00 56.01 56.59 1u20 n LEU 173 Cb 0.39 -0.29 0.66 0.00 -2.33 0.00 0.00 43.42 41.85 1u20 n LEU 173 CO 0.24 -0.10 0.92 0.00 -1.33 0.00 0.00 177.39 177.12 1u20 s ASN 175 N -2.21 1.86 -0.48 0.00 0.01 -0.65 -5.00 114.94 108.47 1u20 s ASN 175 Ca 0.36 0.53 -0.19 0.00 -0.71 0.00 0.00 52.86 52.85 1u20 s ASN 175 Cb 0.21 -0.72 0.05 0.00 0.41 0.00 0.00 41.25 41.19 1u20 s ASN 175 CO 0.41 -3.53 0.60 0.21 -1.51 0.00 0.00 177.10 173.27 1u20 s ASN 176 N -4.25 6.23 -0.00 -1.22 3.84 -1.26 -5.03 114.94 113.25 1u20 s ASN 176 Ca 0.72 -0.80 -0.06 0.00 0.21 0.00 0.00 52.86 52.93 1u20 s ASN 176 Cb -0.08 -2.28 -0.05 0.00 -0.55 0.00 0.00 41.25 38.29 1u20 s ASN 176 CO 0.55 -0.82 0.25 -0.36 -2.79 0.00 0.00 177.10 173.93 1u20 s PHE 177 N 2.56 3.58 0.37 0.43 0.40 -1.26 -0.17 117.98 123.88 1u20 s PHE 177 Ca 0.16 0.55 -0.24 0.00 -0.60 0.00 0.00 56.93 56.79 1u20 s PHE 177 Cb -0.18 -1.97 -0.10 0.00 0.51 0.00 0.00 43.02 41.28 1u20 s PHE 177 CO 0.13 0.62 0.98 -1.50 0.70 0.00 0.00 175.22 176.15 1u20 s ILE 178 N -1.29 4.10 0.00 0.64 1.10 0.11 -4.85 121.20 121.01 1u20 s ILE 178 Ca 0.27 1.61 0.00 0.00 -0.51 0.00 0.00 60.65 62.01 1u20 s ILE 178 Cb -0.13 -3.83 0.00 0.00 0.15 0.00 0.00 42.46 38.65 1u20 s ILE 178 CO 0.16 0.01 0.00 0.61 -2.11 0.00 0.00 174.94 173.61 1u20 n GLY 179 N 0.25 2.98 1.80 1.50 0.00 -1.26 -1.20 105.19 109.26 1u20 n GLY 179 Ca 0.04 0.11 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 1u20 n GLY 179 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1u20 n ASN 180 N 3.55 4.46 -0.19 1.61 6.94 -1.26 -4.67 115.26 125.70 1u20 n ASN 180 Ca 0.00 -3.27 -0.02 0.00 -0.02 0.00 0.00 54.58 51.26 1u20 n ASN 180 Cb 0.00 -0.72 0.19 0.00 -2.36 0.00 0.00 39.78 36.89 1u20 n ASN 180 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1u20 h SER 181 N 2.34 0.87 -0.38 0.53 4.64 -1.50 -0.43 113.55 119.62 1u20 h SER 181 Ca 0.25 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 1u20 h SER 181 Cb 2.20 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 64.05 1u20 h SER 181 CO 0.66 0.75 0.11 0.50 -0.87 0.00 0.00 176.83 177.99 1u20 h LYS 182 N 0.95 0.60 -0.79 4.77 3.64 -1.83 -0.42 116.57 123.49 1u20 h LYS 182 Ca 0.23 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1u20 h LYS 182 Cb 0.13 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 1u20 h LYS 182 CO -0.03 0.62 0.51 1.03 -2.27 0.00 0.00 179.45 179.31 1u20 h SER 183 N 0.47 0.85 -0.51 4.20 0.87 -1.82 -1.02 113.55 116.59 1u20 h SER 183 Ca 0.12 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1u20 h SER 183 Cb 0.28 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1u20 h SER 183 CO -0.00 0.59 0.31 1.56 -0.53 0.00 0.00 176.83 178.76 1u20 h GLN 184 N 1.00 0.69 0.03 2.24 4.20 -0.76 -0.39 115.11 122.12 1u20 h GLN 184 Ca 0.31 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1u20 h GLN 184 Cb -0.02 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 1u20 h GLN 184 CO -0.10 0.51 -0.03 1.25 -0.67 0.00 0.00 178.83 179.78 1u20 h LEU 185 N 0.68 -0.08 -0.87 1.46 5.85 -0.66 0.33 115.31 122.03 1u20 h LEU 185 Ca 0.18 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.93 1u20 h LEU 185 Cb -0.01 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 1u20 h LEU 185 CO -0.03 -0.05 0.57 -0.07 -0.34 0.00 0.00 178.44 178.52 1u20 h LEU 186 N -0.07 0.98 -0.27 2.25 3.38 -1.07 0.23 115.31 120.74 1u20 h LEU 186 Ca 0.00 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1u20 h LEU 186 Cb 0.07 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 1u20 h LEU 186 CO -0.01 0.70 -0.03 0.22 0.09 0.00 0.00 178.44 179.40 1u20 h TYR 187 N 1.15 -0.07 -0.56 1.13 5.03 -0.65 -2.50 116.97 120.50 1u20 h TYR 187 Ca 0.33 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.64 1u20 h TYR 187 Cb -0.08 0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.24 1u20 h TYR 187 CO -0.01 -0.08 0.24 0.00 -1.32 0.00 0.00 178.16 176.99 1u20 h ALA 188 N 1.25 1.38 -0.57 1.82 0.00 0.40 -0.80 119.26 122.73 1u20 h ALA 188 Ca 0.13 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1u20 h ALA 188 Cb 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1u20 h ALA 188 CO -0.24 0.48 0.20 -0.07 0.00 0.00 0.00 179.25 179.62 1u20 h LEU 189 N 0.79 0.78 0.12 0.00 3.38 -0.59 -0.41 115.31 119.38 1u20 h LEU 189 Ca 0.19 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1u20 h LEU 189 Cb 0.13 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1u20 h LEU 189 CO -0.02 0.72 -0.06 0.03 0.09 0.00 0.00 178.44 179.20 1u20 h ARG 190 N 0.83 -0.16 -0.25 1.13 2.47 -1.13 -1.10 114.38 116.18 1u20 h ARG 190 Ca 0.19 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.94 1u20 h ARG 190 Cb 0.21 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 1u20 h ARG 190 CO -0.01 0.33 0.17 0.66 0.56 0.00 0.00 179.97 181.67 1u20 h SER 191 N -0.83 0.25 -0.10 7.04 4.64 -1.09 0.40 113.55 123.86 1u20 h SER 191 Ca -0.02 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1u20 h SER 191 Cb 0.55 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1u20 h SER 191 CO 0.03 0.18 0.00 0.18 -0.87 0.00 0.00 176.83 176.34 1u20 n LEU 192 N -4.50 1.35 -3.42 5.97 4.77 -0.17 -4.92 117.00 116.08 1u20 n LEU 192 Ca 0.01 -0.54 -0.25 0.00 -0.03 0.00 0.00 56.01 55.21 1u20 n LEU 192 Cb 0.11 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1u20 n LEU 192 CO 0.35 0.27 0.06 2.29 -1.33 0.00 0.00 177.39 179.03 1u20 n LYS 193 N 0.09 -5.24 0.09 3.23 -0.00 0.13 -4.88 118.16 111.58 1u20 n LYS 193 Ca 0.17 0.72 -0.18 0.00 -0.00 0.00 0.00 58.31 59.02 1u20 n LYS 193 Cb 0.29 -5.59 -0.14 0.00 -0.00 0.00 0.00 35.03 29.59 1u20 n LYS 193 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1u20 h LEU 194 N -1.69 0.48 -7.99 -5.58 3.38 -1.42 -3.46 115.31 99.02 1u20 h LEU 194 Ca -0.53 -0.58 -0.33 0.00 0.09 0.00 0.00 57.88 56.54 1u20 h LEU 194 Cb 1.35 -0.16 -0.27 0.00 0.09 0.00 0.00 40.66 41.68 1u20 h LEU 194 CO 0.59 1.47 -0.75 -0.76 0.09 0.00 0.00 178.44 179.07 1u20 s LEU 195 N -7.15 2.07 0.77 1.67 1.02 -1.13 -5.07 118.68 110.85 1u20 s LEU 195 Ca -0.07 -0.21 -0.12 0.00 0.02 0.00 0.00 54.13 53.75 1u20 s LEU 195 Cb 0.06 -0.28 0.05 0.00 0.02 0.00 0.00 46.19 46.05 1u20 s LEU 195 CO 0.88 0.01 1.14 0.00 0.02 0.00 0.00 176.35 178.40 1u20 s ARG 196 N -0.47 2.30 0.31 1.70 1.70 -1.26 -4.43 118.95 118.80 1u20 s ARG 196 Ca -0.00 0.22 0.01 0.00 -0.47 0.00 0.00 55.73 55.49 1u20 s ARG 196 Cb -0.04 -1.99 0.55 0.00 -0.57 0.00 0.00 34.95 32.90 1u20 s ARG 196 CO -0.00 -1.37 1.92 0.93 -1.08 0.00 0.00 175.30 175.70 1u20 h GLU 197 N -0.89 0.98 -0.24 3.89 4.39 -1.99 -0.69 114.58 120.03 1u20 h GLU 197 Ca -0.46 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.07 1u20 h GLU 197 Cb 1.30 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 1u20 h GLU 197 CO 0.65 0.65 -0.34 0.38 -1.16 0.00 0.00 179.01 179.18 1u20 h ASP 198 N 1.01 0.54 -0.43 1.42 3.04 -1.99 -1.91 116.42 118.09 1u20 h ASP 198 Ca 0.37 -0.22 -0.13 0.00 -3.24 0.00 0.00 57.03 53.82 1u20 h ASP 198 Cb 0.18 -0.15 -0.01 0.00 -1.04 0.00 0.00 39.33 38.31 1u20 h ASP 198 CO -0.13 0.84 -0.23 1.56 -2.04 0.00 0.00 179.24 179.24 1u20 h GLN 199 N 0.44 0.91 -0.64 4.15 4.20 -1.70 -0.59 115.11 121.89 1u20 h GLN 199 Ca 0.05 -0.41 0.01 0.00 0.06 0.00 0.00 58.65 58.35 1u20 h GLN 199 Cb 0.81 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 1u20 h GLN 199 CO 0.07 1.07 0.42 0.82 -0.67 0.00 0.00 178.83 180.53 1u20 h ILE 200 N 0.74 1.16 -0.67 2.54 2.04 -1.07 -0.02 117.51 122.23 1u20 h ILE 200 Ca 0.09 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 1u20 h ILE 200 Cb 0.81 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1u20 h ILE 200 CO 0.07 0.16 0.14 1.56 0.00 0.00 0.00 178.15 180.08 1u20 h GLN 201 N 0.86 1.09 -0.33 2.37 1.08 -1.05 -0.43 115.11 118.70 1u20 h GLN 201 Ca 0.23 -0.27 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 1u20 h GLN 201 Cb -0.10 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.18 1u20 h GLN 201 CO -0.05 0.97 0.11 1.49 -0.95 0.00 0.00 178.83 180.40 1u20 h GLU 202 N 1.03 0.51 -0.32 1.46 4.57 -0.77 0.62 114.58 121.69 1u20 h GLU 202 Ca 0.21 -0.11 -0.07 0.00 -1.18 0.00 0.00 59.36 58.22 1u20 h GLU 202 Cb 0.39 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 1u20 h GLU 202 CO 0.01 0.54 -0.09 -0.39 -1.18 0.00 0.00 179.01 177.90 1u20 h VAL 203 N 0.38 1.22 -0.32 0.32 -1.51 -0.66 0.80 116.25 116.48 1u20 h VAL 203 Ca 0.11 -0.96 -0.13 0.00 -1.23 0.00 0.00 66.70 64.49 1u20 h VAL 203 Cb 0.24 1.08 -0.00 0.00 -2.13 0.00 0.00 31.29 30.47 1u20 h VAL 203 CO -0.00 0.32 -0.31 -0.07 -1.23 0.00 0.00 177.57 176.27 1u20 h LEU 204 N 0.49 0.83 -0.03 4.19 3.38 -0.87 -1.91 115.31 121.39 1u20 h LEU 204 Ca 0.10 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1u20 h LEU 204 Cb 0.45 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1u20 h LEU 204 CO 0.02 1.13 0.02 0.50 0.09 0.00 0.00 178.44 180.20 1u20 h LYS 205 N 0.54 0.04 -0.34 1.13 3.64 -0.55 -2.15 116.57 118.89 1u20 h LYS 205 Ca 0.05 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1u20 h LYS 205 Cb 0.89 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 1u20 h LYS 205 CO 0.08 0.06 0.23 0.00 -2.27 0.00 0.00 179.45 177.55 1u20 h ALA 206 N 0.98 1.83 0.00 5.00 0.00 -0.80 0.39 119.26 126.66 1u20 h ALA 206 Ca 0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1u20 h ALA 206 Cb 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1u20 h ALA 206 CO -0.00 0.14 -0.57 0.66 0.00 0.00 0.00 179.25 179.48 1u20 h SER 207 N 0.40 0.00 0.00 0.00 4.64 -1.17 -2.91 113.55 114.51 1u20 h SER 207 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1u20 h SER 207 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1u20 h SER 207 CO -0.03 0.57 0.00 1.41 -0.87 0.00 0.00 176.83 177.91 1u20 n HIS 208 N -3.61 0.00 -0.88 4.77 -0.00 0.11 -4.90 115.22 110.70 1u20 n HIS 208 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1u20 n HIS 208 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.61 1u20 n HIS 208 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88