#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aeg n ASN 3 N 0.00 1.94 -3.63 0.00 4.13 -1.26 -4.78 115.26 111.66 2aeg n ASN 3 Ca 0.00 -2.93 -0.05 0.00 1.68 0.00 0.00 54.58 53.29 2aeg n ASN 3 Cb 0.00 -0.39 -0.06 0.00 -1.54 0.00 0.00 39.78 37.78 2aeg n ASN 3 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2aeg s LEU 4 N -2.40 -0.89 0.30 3.41 2.96 -1.26 -4.15 118.68 116.64 2aeg s LEU 4 Ca 0.27 1.37 -0.16 0.00 -0.22 0.00 0.00 54.13 55.39 2aeg s LEU 4 Cb 0.24 2.22 0.02 0.00 0.50 0.00 0.00 46.19 49.16 2aeg s LEU 4 CO 0.02 -0.21 0.64 -0.72 -1.32 0.00 0.00 176.35 174.76 2aeg s TYR 5 N 1.87 0.15 0.00 5.38 1.13 -1.26 -0.27 117.35 124.36 2aeg s TYR 5 Ca -0.09 -0.60 0.00 0.00 -1.41 0.00 0.00 57.07 54.97 2aeg s TYR 5 Cb -0.06 0.51 0.00 0.00 -1.10 0.00 0.00 41.96 41.30 2aeg s TYR 5 CO -0.19 -1.22 0.00 0.54 -2.51 0.00 0.00 175.55 172.17 2aeg n ARG 6 N -0.46 2.29 0.00 -3.49 1.74 0.25 -4.37 116.66 112.62 2aeg n ARG 6 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 2aeg n ARG 6 Cb 0.60 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.04 2aeg n ARG 6 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2aeg n GLU 8 N 0.00 0.00 -2.80 5.56 1.02 -1.26 -0.96 120.64 122.19 2aeg n GLU 8 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 2aeg n GLU 8 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 2aeg n GLU 8 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2aeg s ASP 9 N 0.00 6.86 0.21 1.62 3.68 -1.26 -4.91 116.67 122.86 2aeg s ASP 9 Ca 0.00 1.00 0.15 0.00 2.13 0.00 0.00 52.55 55.83 2aeg s ASP 9 Cb 0.00 -2.47 -0.01 0.00 -1.45 0.00 0.00 42.92 38.99 2aeg s ASP 9 CO 0.00 -0.67 1.25 0.11 0.13 0.00 0.00 175.17 176.00 2aeg h LYS 10 N 7.87 0.00 -2.94 4.34 6.56 -2.03 -3.42 116.57 126.95 2aeg h LYS 10 Ca -0.22 0.00 -0.61 0.00 -1.06 0.00 0.00 60.65 58.76 2aeg h LYS 10 Cb 1.08 0.00 -0.40 0.00 -0.57 0.00 0.00 32.23 32.34 2aeg h LYS 10 CO 0.94 0.47 -0.75 0.34 -2.06 0.00 0.00 179.45 178.38 2aeg s ASP 11 N -6.27 3.56 0.00 0.86 2.15 -1.26 -4.87 116.67 110.84 2aeg s ASP 11 Ca 0.02 -2.57 0.00 0.00 0.43 0.00 0.00 52.55 50.43 2aeg s ASP 11 Cb 0.08 -0.96 0.00 0.00 -0.30 0.00 0.00 42.92 41.74 2aeg s ASP 11 CO 0.77 -0.27 0.00 -2.67 -0.17 0.00 0.00 175.17 172.83 2aeg n TRP 12 N 3.60 0.00 -0.32 -5.34 4.27 -1.26 -4.87 117.44 113.53 2aeg n TRP 12 Ca 0.09 0.00 0.16 0.00 -3.89 0.00 0.00 57.50 53.86 2aeg n TRP 12 Cb 0.35 0.00 0.35 0.00 -1.36 0.00 0.00 31.31 30.65 2aeg n TRP 12 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 2aeg h VAL 13 N 0.00 0.41 -0.89 -1.67 2.07 -1.91 0.32 116.25 114.59 2aeg h VAL 13 Ca 0.00 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.40 2aeg h VAL 13 Cb 0.23 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 2aeg h VAL 13 CO 0.00 0.07 0.59 -1.28 0.02 0.00 0.00 177.57 176.96 2aeg h SER 14 N 0.37 1.01 0.00 0.57 0.87 -1.89 -0.41 113.55 114.06 2aeg h SER 14 Ca 0.61 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.14 2aeg h SER 14 Cb 1.22 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 2aeg h SER 14 CO -0.56 0.73 -1.76 2.29 -0.53 0.00 0.00 176.83 176.99 2aeg n LYS 15 N -4.40 0.51 -0.06 2.24 2.85 -0.38 -4.11 118.16 114.80 2aeg n LYS 15 Ca 0.10 -0.15 -0.05 0.00 -1.05 0.00 0.00 58.31 57.16 2aeg n LYS 15 Cb 0.03 -1.51 -0.10 0.00 -0.65 0.00 0.00 35.03 32.79 2aeg n LYS 15 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 2aeg n TRP 16 N -2.08 0.00 -3.10 5.58 7.02 -0.04 -4.79 117.44 120.03 2aeg n TRP 16 Ca -0.02 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.29 2aeg n TRP 16 Cb 0.51 -0.60 -0.02 0.00 -2.42 0.00 0.00 31.31 28.79 2aeg n TRP 16 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2aeg n ALA 17 N -2.42 2.04 0.07 6.99 0.00 -0.21 -4.90 120.51 122.09 2aeg n ALA 17 Ca -0.19 -3.27 -0.04 0.00 0.00 0.00 0.00 53.44 49.94 2aeg n ALA 17 Cb 0.86 -0.94 -0.08 0.00 0.00 0.00 0.00 19.45 19.29 2aeg n ALA 17 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2aeg h GLN 18 N 2.99 0.00 -0.41 0.00 4.15 -1.60 -3.19 115.11 117.05 2aeg h GLN 18 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 2aeg h GLN 18 Cb 1.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.69 2aeg h GLN 18 CO 0.48 0.74 0.00 -0.40 -1.93 0.00 0.00 178.83 177.72 2aeg n ASP 19 N -3.24 2.32 -4.86 -0.69 3.85 -1.26 -4.90 116.55 107.77 2aeg n ASP 19 Ca -0.02 -1.97 -0.36 0.00 -0.71 0.00 0.00 54.79 51.73 2aeg n ASP 19 Cb 0.89 -0.27 -0.06 0.00 -1.35 0.00 0.00 41.12 40.33 2aeg n ASP 19 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2aeg s ALA 20 N -1.45 3.72 -0.64 2.12 0.00 -1.21 -4.62 121.76 119.68 2aeg s ALA 20 Ca 0.30 -0.34 -0.27 0.00 0.00 0.00 0.00 51.96 51.65 2aeg s ALA 20 Cb 0.16 -2.30 0.02 0.00 0.00 0.00 0.00 23.12 21.00 2aeg s ALA 20 CO 0.21 0.54 1.36 -2.00 0.00 0.00 0.00 175.76 175.87 2aeg s GLU 21 N -1.68 3.24 -0.09 0.00 2.12 0.62 -4.74 118.70 118.17 2aeg s GLU 21 Ca 0.30 0.15 -0.23 0.00 0.36 0.00 0.00 54.97 55.55 2aeg s GLU 21 Cb -0.15 -4.15 -0.03 0.00 0.26 0.00 0.00 34.13 30.06 2aeg s GLU 21 CO 0.17 -2.04 0.69 0.45 -0.54 0.00 0.00 175.26 173.98 2aeg s SER 22 N 4.18 6.93 0.00 -1.70 0.15 -1.26 -1.65 113.70 120.36 2aeg s SER 22 Ca 0.45 1.13 0.14 0.00 0.70 0.00 0.00 55.95 58.37 2aeg s SER 22 Cb -0.09 -2.40 0.23 0.00 -1.71 0.00 0.00 66.02 62.05 2aeg s SER 22 CO 0.21 -0.14 1.06 0.00 1.20 0.00 0.00 173.24 175.56 2aeg n LEU 23 N 4.00 0.35 -4.21 3.45 -0.00 -1.23 -4.99 117.00 114.36 2aeg n LEU 23 Ca -0.01 -1.74 -0.12 0.00 -0.00 0.00 0.00 56.01 54.14 2aeg n LEU 23 Cb 0.51 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.83 2aeg n LEU 23 CO 0.47 0.68 -0.39 0.27 -0.00 0.00 0.00 177.39 178.42 2aeg s ILE 24 N 0.00 0.88 -0.82 1.47 -4.36 -1.26 -5.04 121.20 112.08 2aeg s ILE 24 Ca 0.18 -1.99 -0.17 0.00 -0.26 0.00 0.00 60.65 58.41 2aeg s ILE 24 Cb 0.21 -1.79 0.15 0.00 1.25 0.00 0.00 42.46 42.28 2aeg s ILE 24 CO -0.09 -0.78 0.91 0.20 0.24 0.00 0.00 174.94 175.42 2aeg s ASN 25 N -3.11 6.58 0.60 4.36 -0.87 -1.26 -5.09 114.94 116.15 2aeg s ASN 25 Ca 0.15 -2.12 0.00 0.00 -1.57 0.00 0.00 52.86 49.32 2aeg s ASN 25 Cb 0.04 -2.31 0.00 0.00 -0.02 0.00 0.00 41.25 38.96 2aeg s ASN 25 CO -0.02 -0.91 0.00 -0.11 -2.57 0.00 0.00 177.10 173.49 2aeg n LEU 26 N 5.64 0.00 -0.11 0.60 7.94 -1.26 -5.15 117.00 124.65 2aeg n LEU 26 Ca 0.13 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.85 2aeg n LEU 26 Cb 0.47 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.32 2aeg n LEU 26 CO 0.46 -1.13 -1.25 -0.81 -1.11 0.00 0.00 177.39 173.56 2aeg n PRO 28 N -1.21 0.53 -4.25 1.96 -0.04 -1.26 -5.20 135.00 125.53 2aeg n PRO 28 Ca 0.00 0.16 -0.17 0.00 -0.04 0.00 0.00 63.50 63.45 2aeg n PRO 28 Cb 0.00 -1.40 -0.11 0.00 -0.04 0.00 0.00 33.50 31.95 2aeg n PRO 28 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2aeg s ALA 29 N -2.44 1.52 -0.06 0.55 0.00 -1.26 -4.53 121.76 115.55 2aeg s ALA 29 Ca -0.31 -1.37 -0.04 0.00 0.00 0.00 0.00 51.96 50.24 2aeg s ALA 29 Cb 0.09 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.20 2aeg s ALA 29 CO 0.48 0.04 0.14 0.71 0.00 0.00 0.00 175.76 177.13 2aeg s TYR 30 N -2.52 -0.16 0.19 0.00 2.02 -1.26 -5.01 117.35 110.61 2aeg s TYR 30 Ca 0.12 0.43 0.09 0.00 -0.37 0.00 0.00 57.07 57.34 2aeg s TYR 30 Cb -0.03 -0.03 -0.04 0.00 -0.40 0.00 0.00 41.96 41.46 2aeg s TYR 30 CO 0.03 -0.13 -0.17 -1.14 -1.57 0.00 0.00 175.55 172.57 2aeg s GLN 31 N 0.72 1.32 0.00 -0.62 0.74 -1.26 -4.22 119.66 116.34 2aeg s GLN 31 Ca -0.05 -1.49 0.00 0.00 0.05 0.00 0.00 55.36 53.87 2aeg s GLN 31 Cb -0.07 -1.30 0.00 0.00 1.10 0.00 0.00 33.01 32.74 2aeg s GLN 31 CO -0.03 0.25 0.00 0.09 -0.55 0.00 0.00 175.29 175.04 2aeg n ASN 33 N 0.02 0.00 -4.49 6.67 3.02 -1.26 -4.94 115.26 114.27 2aeg n ASN 33 Ca -0.11 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.00 2aeg n ASN 33 Cb 0.58 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.75 2aeg n ASN 33 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2aeg n PRO 34 N -0.66 0.75 -0.79 3.52 -0.02 -1.26 -2.19 135.00 134.37 2aeg n PRO 34 Ca 0.00 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2aeg n PRO 34 Cb 0.00 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2aeg n PRO 34 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2aeg n ASP 35 N 1.36 -2.94 0.00 2.55 2.03 0.67 -4.96 116.55 115.27 2aeg n ASP 35 Ca 0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.43 2aeg n ASP 35 Cb 0.34 -2.71 0.00 0.00 -0.72 0.00 0.00 41.12 38.04 2aeg n ASP 35 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2aeg n GLN 36 N -0.68 0.00 0.00 -0.67 6.02 -0.93 -4.49 117.38 116.63 2aeg n GLN 36 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2aeg n GLN 36 Cb 0.23 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.49 2aeg n GLN 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2aeg n GLY 38 N 5.00 2.74 3.74 1.08 0.00 -0.32 -1.39 105.19 116.04 2aeg n GLY 38 Ca 0.00 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 2aeg n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2aeg s PRO 39 N -2.00 4.52 0.01 1.61 0.04 -1.26 -1.66 135.00 136.26 2aeg s PRO 39 Ca 0.00 1.85 -0.17 0.00 0.04 0.00 0.00 61.00 62.72 2aeg s PRO 39 Cb 0.00 -3.24 0.03 0.00 0.04 0.00 0.00 34.50 31.33 2aeg s PRO 39 CO 0.00 -0.03 0.37 0.96 0.04 0.00 0.00 177.00 178.34 2aeg s ILE 40 N -0.23 0.06 -0.41 0.56 -4.36 -0.22 -4.25 121.20 112.35 2aeg s ILE 40 Ca 0.51 -0.47 -0.06 0.00 -0.26 0.00 0.00 60.65 60.37 2aeg s ILE 40 Cb -0.32 -0.83 0.09 0.00 1.25 0.00 0.00 42.46 42.65 2aeg s ILE 40 CO 0.37 -0.26 0.22 -0.69 0.24 0.00 0.00 174.94 174.82 2aeg s VAL 41 N -1.95 3.70 0.18 8.37 1.01 -0.11 -1.25 120.40 130.35 2aeg s VAL 41 Ca -0.09 -1.70 0.05 0.00 0.00 0.00 0.00 61.98 60.24 2aeg s VAL 41 Cb -0.02 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2aeg s VAL 41 CO 0.01 -0.56 0.16 0.00 0.00 0.00 0.00 175.10 174.71 2aeg s ARG 42 N 1.28 2.93 0.48 2.72 1.70 -0.17 0.26 118.95 128.15 2aeg s ARG 42 Ca 0.04 -0.90 -0.05 0.00 -0.47 0.00 0.00 55.73 54.36 2aeg s ARG 42 Cb -0.23 -2.64 -0.03 0.00 -0.57 0.00 0.00 34.95 31.47 2aeg s ARG 42 CO -0.01 0.47 0.78 -0.80 -1.08 0.00 0.00 175.30 174.65 2aeg s ASN 43 N -3.28 6.21 0.16 -2.89 0.01 -0.40 -0.94 114.94 113.81 2aeg s ASN 43 Ca 0.32 0.87 0.11 0.00 -0.71 0.00 0.00 52.86 53.44 2aeg s ASN 43 Cb -0.10 -2.18 -0.04 0.00 0.41 0.00 0.00 41.25 39.34 2aeg s ASN 43 CO 0.24 -0.59 -0.25 -0.89 -1.51 0.00 0.00 177.10 174.10 2aeg s THR 44 N -2.73 2.24 -0.19 1.60 2.01 0.11 -4.74 115.64 113.95 2aeg s THR 44 Ca 0.47 -1.88 0.20 0.00 0.31 0.00 0.00 61.69 60.80 2aeg s THR 44 Cb -0.10 -2.02 0.20 0.00 0.01 0.00 0.00 72.50 70.60 2aeg s THR 44 CO 0.44 -0.04 1.62 0.00 -0.69 0.00 0.00 174.62 175.95 2aeg n ALA 45 N 0.60 1.00 1.71 7.40 0.00 -1.26 0.57 120.51 130.53 2aeg n ALA 45 Ca -0.15 0.19 0.15 0.00 0.00 0.00 0.00 53.44 53.63 2aeg n ALA 45 Cb 0.55 -1.26 0.73 0.00 0.00 0.00 0.00 19.45 19.46 2aeg n ALA 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2aeg n ASP 46 N -2.23 0.68 -0.12 0.00 8.00 -1.26 -4.89 116.55 116.74 2aeg n ASP 46 Ca -0.01 -1.14 -0.02 0.00 0.71 0.00 0.00 54.79 54.33 2aeg n ASP 46 Cb 0.06 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.14 2aeg n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aeg n GLY 47 N 1.11 0.51 3.84 0.44 0.00 0.19 -5.03 105.19 106.25 2aeg n GLY 47 Ca 0.21 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 2aeg n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aeg s LYS 48 N -1.86 2.23 0.07 1.61 1.02 -1.24 -4.89 119.74 116.69 2aeg s LYS 48 Ca 0.00 -2.13 0.09 0.00 0.02 0.00 0.00 55.97 53.96 2aeg s LYS 48 Cb 0.00 -1.90 -0.03 0.00 -0.52 0.00 0.00 37.83 35.38 2aeg s LYS 48 CO 0.00 -0.48 -0.25 0.15 -0.92 0.00 0.00 175.35 173.85 2aeg s LYS 49 N -4.11 1.55 -0.01 1.68 1.02 -1.26 0.10 119.74 118.71 2aeg s LYS 49 Ca 0.25 -1.14 0.01 0.00 0.02 0.00 0.00 55.97 55.11 2aeg s LYS 49 Cb -0.00 -1.81 0.01 0.00 -0.52 0.00 0.00 37.83 35.51 2aeg s LYS 49 CO 0.15 0.45 -0.03 -0.65 -0.92 0.00 0.00 175.35 174.36 2aeg s GLN 50 N -1.49 0.34 -0.52 1.68 -0.21 -0.12 -0.28 119.66 119.06 2aeg s GLN 50 Ca 0.11 -0.08 -0.16 0.00 0.02 0.00 0.00 55.36 55.25 2aeg s GLN 50 Cb -0.10 -0.38 0.12 0.00 1.00 0.00 0.00 33.01 33.65 2aeg s GLN 50 CO 0.03 0.01 0.47 -1.17 -2.12 0.00 0.00 175.29 172.52 2aeg s LEU 51 N 0.27 6.05 0.00 2.90 0.20 -0.66 -1.00 118.68 126.43 2aeg s LEU 51 Ca -0.03 -1.68 0.05 0.00 0.69 0.00 0.00 54.13 53.17 2aeg s LEU 51 Cb -0.06 -2.20 -0.02 0.00 -0.43 0.00 0.00 46.19 43.48 2aeg s LEU 51 CO -0.01 -0.81 0.20 1.33 -0.29 0.00 0.00 176.35 176.78 2aeg n VAL 52 N 5.24 0.00 -4.05 1.68 0.24 -0.38 -3.58 118.33 117.47 2aeg n VAL 52 Ca -0.14 -2.31 -0.36 0.00 -2.04 0.00 0.00 64.34 59.50 2aeg n VAL 52 Cb 0.41 0.98 -0.08 0.00 -1.47 0.00 0.00 33.84 33.68 2aeg n VAL 52 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2aeg s HIS 53 N -3.15 3.41 0.09 6.34 3.76 -1.26 -1.06 115.29 123.42 2aeg s HIS 53 Ca 0.28 0.36 -0.01 0.00 -0.15 0.00 0.00 55.06 55.55 2aeg s HIS 53 Cb 0.01 -1.91 -0.04 0.00 1.11 0.00 0.00 32.58 31.75 2aeg s HIS 53 CO 0.20 0.57 0.01 0.00 -0.85 0.00 0.00 174.74 174.67 2aeg s ALA 54 N -0.77 0.71 -0.24 -1.40 0.00 -0.66 -4.87 121.76 114.53 2aeg s ALA 54 Ca 0.13 -1.34 -0.22 0.00 0.00 0.00 0.00 51.96 50.52 2aeg s ALA 54 Cb -0.12 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.52 2aeg s ALA 54 CO 0.03 -0.41 0.72 0.50 0.00 0.00 0.00 175.76 176.60 2aeg s ARG 55 N -3.97 4.16 -0.59 0.00 3.52 0.11 -1.18 118.95 121.00 2aeg s ARG 55 Ca 0.15 0.75 -0.27 0.00 -0.13 0.00 0.00 55.73 56.23 2aeg s ARG 55 Cb 0.08 -3.63 -0.03 0.00 -1.56 0.00 0.00 34.95 29.81 2aeg s ARG 55 CO -0.04 -0.43 1.91 -0.46 -0.81 0.00 0.00 175.30 175.47 2aeg s TRP 56 N 2.55 1.61 0.00 5.12 -0.00 -0.48 -1.87 118.94 125.87 2aeg s TRP 56 Ca 0.31 0.86 0.00 0.00 -0.00 0.00 0.00 56.10 57.27 2aeg s TRP 56 Cb -0.15 -4.04 0.00 0.00 -0.00 0.00 0.00 33.47 29.28 2aeg s TRP 56 CO 0.08 -2.35 0.00 0.41 -0.00 0.00 0.00 176.95 175.09 2aeg n GLY 57 N 5.72 1.57 3.81 5.86 0.00 0.26 -0.24 105.19 122.17 2aeg n GLY 57 Ca 0.22 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 46.19 2aeg n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aeg s LEU 58 N 0.00 2.48 0.48 0.99 1.43 -0.06 -4.34 118.68 119.66 2aeg s LEU 58 Ca 0.00 1.20 -0.24 0.00 -1.03 0.00 0.00 54.13 54.05 2aeg s LEU 58 Cb 0.00 -3.75 -0.07 0.00 0.03 0.00 0.00 46.19 42.39 2aeg s LEU 58 CO 0.00 -2.05 1.40 -2.84 0.23 0.00 0.00 176.35 173.08 2aeg s PRO 59 N -5.21 3.54 0.51 1.29 0.02 -1.26 -0.08 135.00 133.80 2aeg s PRO 59 Ca 0.61 2.34 -0.15 0.00 0.02 0.00 0.00 61.00 63.83 2aeg s PRO 59 Cb -0.14 -2.54 -0.07 0.00 0.02 0.00 0.00 34.50 31.77 2aeg s PRO 59 CO 0.54 -0.91 0.95 -1.12 -0.33 0.00 0.00 177.00 176.13 2aeg s SER 60 N -0.66 6.56 0.50 2.53 0.01 -1.26 -4.65 113.70 116.73 2aeg s SER 60 Ca 0.64 1.46 -0.22 0.00 1.31 0.00 0.00 55.95 59.14 2aeg s SER 60 Cb -0.42 -2.47 -0.08 0.00 0.21 0.00 0.00 66.02 63.26 2aeg s SER 60 CO 0.53 -0.58 1.03 -2.65 0.41 0.00 0.00 173.24 171.98 2aeg n PRO 61 N -1.67 1.25 0.28 12.44 -0.02 -1.26 -4.82 135.00 141.21 2aeg n PRO 61 Ca 0.06 0.46 0.13 0.00 -2.02 0.00 0.00 63.50 62.12 2aeg n PRO 61 Cb 0.54 -2.16 0.81 0.00 -0.02 0.00 0.00 33.50 32.67 2aeg n PRO 61 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 2aeg h ILE 62 N 1.17 0.66 0.00 4.25 3.07 -1.99 -2.16 117.51 122.51 2aeg h ILE 62 Ca -0.47 -0.11 -0.25 0.00 1.55 0.00 0.00 64.86 65.58 2aeg h ILE 62 Cb 1.34 1.07 -0.04 0.00 -0.27 0.00 0.00 36.82 38.92 2aeg h ILE 62 CO 0.55 0.03 -1.33 -0.26 -1.05 0.00 0.00 178.15 176.08 2aeg h PHE 63 N 0.00 0.01 -0.34 0.16 0.04 -1.99 -2.63 116.94 112.19 2aeg h PHE 63 Ca -0.00 -0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.66 2aeg h PHE 63 Cb 0.07 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 2aeg h PHE 63 CO 0.00 1.01 -0.22 0.28 -0.60 0.00 0.00 178.31 178.78 2aeg h VAL 64 N 0.00 1.27 -0.08 -0.55 2.07 -1.76 -1.88 116.25 115.32 2aeg h VAL 64 Ca -0.14 -1.28 -0.05 0.00 0.82 0.00 0.00 66.70 66.05 2aeg h VAL 64 Cb 1.89 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 2aeg h VAL 64 CO 0.11 0.42 -0.16 1.56 0.02 0.00 0.00 177.57 179.52 2aeg h GLN 65 N 0.57 0.25 -0.38 1.57 1.08 -1.50 -3.11 115.11 113.59 2aeg h GLN 65 Ca 0.08 -0.16 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2aeg h GLN 65 Cb 0.68 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 2aeg h GLN 65 CO 0.05 0.75 0.23 -0.22 -0.95 0.00 0.00 178.83 178.69 2aeg h LYS 66 N -0.23 0.51 -0.31 1.46 3.64 -1.42 -0.41 116.57 119.82 2aeg h LYS 66 Ca 0.00 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 2aeg h LYS 66 Cb 0.74 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 2aeg h LYS 66 CO 0.03 0.37 0.03 -0.22 -2.27 0.00 0.00 179.45 177.39 2aeg h LYS 67 N 0.53 0.46 -0.08 1.90 3.64 -1.34 0.83 116.57 122.51 2aeg h LYS 67 Ca 0.14 -0.08 -0.23 0.00 -1.27 0.00 0.00 60.65 59.20 2aeg h LYS 67 Cb -0.01 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2aeg h LYS 67 CO -0.03 0.46 -0.88 0.00 -2.27 0.00 0.00 179.45 176.74 2aeg h ALA 68 N 1.59 0.29 -0.45 5.00 0.00 -1.04 -2.24 119.26 122.42 2aeg h ALA 68 Ca 0.10 -0.64 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 2aeg h ALA 68 Cb 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2aeg h ALA 68 CO 0.00 0.71 -0.14 0.00 0.00 0.00 0.00 179.25 179.82 2aeg h ALA 69 N 0.57 0.90 -0.08 0.00 0.00 -0.80 -1.99 119.26 117.86 2aeg h ALA 69 Ca -0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2aeg h ALA 69 Cb 1.51 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2aeg h ALA 69 CO 0.17 0.63 -0.03 0.93 0.00 0.00 0.00 179.25 180.95 2aeg h GLU 70 N 0.75 0.17 -0.81 0.00 5.08 -0.86 -0.33 114.58 118.58 2aeg h GLU 70 Ca 0.12 -0.07 0.12 0.00 -1.00 0.00 0.00 59.36 58.53 2aeg h GLU 70 Cb 0.65 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 2aeg h GLU 70 CO 0.05 0.50 0.53 0.00 -1.00 0.00 0.00 179.01 179.08 2aeg h ALA 71 N 0.66 1.85 -0.24 3.43 0.00 -1.33 0.17 119.26 123.80 2aeg h ALA 71 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2aeg h ALA 71 Cb 0.44 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2aeg h ALA 71 CO 0.01 -0.04 -0.55 -0.09 0.00 0.00 0.00 179.25 178.58 2aeg h ARG 72 N 0.66 0.72 -0.01 0.00 2.43 -1.15 -2.99 114.38 114.03 2aeg h ARG 72 Ca 0.39 -0.45 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 2aeg h ARG 72 Cb 0.59 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 2aeg h ARG 72 CO -0.15 1.08 -0.29 0.00 -1.51 0.00 0.00 179.97 179.09 2aeg h ALA 73 N 0.83 1.50 -0.21 2.80 0.00 0.10 -2.49 119.26 121.78 2aeg h ALA 73 Ca 0.01 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.47 2aeg h ALA 73 Cb 1.13 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2aeg h ALA 73 CO 0.11 0.38 -0.59 -0.44 0.00 0.00 0.00 179.25 178.71 2aeg h ASP 74 N 0.02 0.79 -0.01 0.00 3.32 -0.87 0.13 116.42 119.80 2aeg h ASP 74 Ca 0.00 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2aeg h ASP 74 Cb 0.52 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2aeg h ASP 74 CO 0.04 1.20 0.00 2.29 -1.72 0.00 0.00 179.24 181.05 2aeg n LYS 75 N -3.96 1.09 -0.11 3.56 2.85 -1.08 -1.78 118.16 118.74 2aeg n LYS 75 Ca -0.04 -0.14 -0.14 0.00 -1.05 0.00 0.00 58.31 56.94 2aeg n LYS 75 Cb 0.64 -1.44 -0.11 0.00 -0.65 0.00 0.00 35.03 33.47 2aeg n LYS 75 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2aeg n LEU 76 N -0.78 2.37 -0.05 -5.58 4.32 -0.96 -3.71 117.00 112.61 2aeg n LEU 76 Ca 0.21 -0.09 -0.14 0.00 -0.02 0.00 0.00 56.01 55.96 2aeg n LEU 76 Cb 0.13 -0.53 -0.07 0.00 -1.62 0.00 0.00 43.42 41.33 2aeg n LEU 76 CO 0.16 0.78 0.49 0.50 -1.22 0.00 0.00 177.39 178.10 2aeg h LYS 77 N 0.00 0.46 -0.03 3.23 1.63 -0.91 0.15 116.57 121.10 2aeg h LYS 77 Ca -0.49 -0.30 -0.05 0.00 -0.85 0.00 0.00 60.65 58.96 2aeg h LYS 77 Cb 1.83 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 33.49 2aeg h LYS 77 CO -0.06 0.91 -0.21 0.00 -3.45 0.00 0.00 179.45 176.65 2aeg h ALA 78 N 0.55 1.60 0.00 5.00 0.00 -1.58 -0.02 119.26 124.81 2aeg h ALA 78 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2aeg h ALA 78 Cb 0.91 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2aeg h ALA 78 CO 0.07 0.30 0.00 1.17 0.00 0.00 0.00 179.25 180.79 2aeg n LYS 79 N -4.27 0.10 -1.70 0.00 4.81 -1.13 -4.94 118.16 111.04 2aeg n LYS 79 Ca -0.02 0.12 -0.01 0.00 -0.87 0.00 0.00 58.31 57.52 2aeg n LYS 79 Cb 0.28 -1.63 0.01 0.00 0.02 0.00 0.00 35.03 33.71 2aeg n LYS 79 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2aeg n GLY 80 N 1.24 0.70 2.90 3.14 0.00 -0.02 -5.05 105.19 108.11 2aeg n GLY 80 Ca 0.06 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 2aeg n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aeg s LYS 81 N -3.23 0.07 0.40 1.61 -0.14 0.46 -5.01 119.74 113.91 2aeg s LYS 81 Ca 0.03 0.34 -0.25 0.00 -1.36 0.00 0.00 55.97 54.73 2aeg s LYS 81 Cb -0.00 -0.19 -0.09 0.00 -1.68 0.00 0.00 37.83 35.87 2aeg s LYS 81 CO 0.06 -0.16 1.13 0.00 -0.76 0.00 0.00 175.35 175.61 2aeg s ALA 82 N 1.13 3.14 0.14 5.17 0.00 -1.26 -4.10 121.76 125.98 2aeg s ALA 82 Ca -0.09 0.88 -0.11 0.00 0.00 0.00 0.00 51.96 52.64 2aeg s ALA 82 Cb -0.12 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2aeg s ALA 82 CO -0.05 -0.41 0.30 -0.59 0.00 0.00 0.00 175.76 175.00 2aeg s PHE 83 N -1.48 0.17 -0.38 0.00 -0.71 -1.26 -5.07 117.98 109.25 2aeg s PHE 83 Ca 0.57 -0.54 -0.03 0.00 -1.04 0.00 0.00 56.93 55.89 2aeg s PHE 83 Cb -0.28 0.04 0.09 0.00 -1.21 0.00 0.00 43.02 41.66 2aeg s PHE 83 CO 0.35 -0.68 0.15 0.34 -1.34 0.00 0.00 175.22 174.03 2aeg s ASP 84 N -2.90 5.16 0.41 1.98 3.68 -1.26 -4.98 116.67 118.76 2aeg s ASP 84 Ca 0.10 -1.81 0.24 0.00 2.13 0.00 0.00 52.55 53.21 2aeg s ASP 84 Cb 0.03 -1.80 1.27 0.00 -1.45 0.00 0.00 42.92 40.98 2aeg s ASP 84 CO -0.06 -0.46 1.67 0.16 0.13 0.00 0.00 175.17 176.62 2aeg h ILE 85 N 6.39 0.27 -0.08 4.11 3.07 -1.98 0.39 117.51 129.67 2aeg h ILE 85 Ca -0.15 -0.07 -0.20 0.00 1.55 0.00 0.00 64.86 65.98 2aeg h ILE 85 Cb 1.05 0.04 0.01 0.00 -0.27 0.00 0.00 36.82 37.65 2aeg h ILE 85 CO 0.65 0.04 -0.74 0.78 -1.05 0.00 0.00 178.15 177.83 2aeg h ASN 86 N 0.21 0.79 0.53 2.16 2.35 -2.00 -2.63 115.58 117.00 2aeg h ASN 86 Ca 0.74 -0.68 -0.10 0.00 -0.55 0.00 0.00 56.30 55.71 2aeg h ASN 86 Cb 2.10 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 40.21 2aeg h ASN 86 CO -0.42 1.35 -0.47 -0.08 -1.65 0.00 0.00 177.43 176.16 2aeg h GLU 87 N 0.30 0.00 0.07 0.81 4.57 -1.20 -1.98 114.58 117.15 2aeg h GLU 87 Ca -0.07 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2aeg h GLU 87 Cb 1.39 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.98 2aeg h GLU 87 CO 0.15 0.47 -0.03 -0.07 -1.18 0.00 0.00 179.01 178.35 2aeg h LEU 88 N 0.00 -0.08 -0.70 1.64 4.07 -0.34 -3.13 115.31 116.77 2aeg h LEU 88 Ca -0.00 -0.28 0.01 0.00 0.08 0.00 0.00 57.88 57.68 2aeg h LEU 88 Cb 0.86 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 42.59 2aeg h LEU 88 CO 0.06 0.24 0.46 0.40 -1.08 0.00 0.00 178.44 178.53 2aeg h ILE 89 N -0.41 1.17 0.00 1.22 2.04 -1.39 0.24 117.51 120.37 2aeg h ILE 89 Ca -0.01 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2aeg h ILE 89 Cb 0.36 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2aeg h ILE 89 CO 0.02 0.17 0.00 -1.14 0.00 0.00 0.00 178.15 177.20 2aeg n ARG 90 N -4.60 0.00 -1.64 2.37 0.63 -0.75 -4.87 116.66 107.79 2aeg n ARG 90 Ca 0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 2aeg n ARG 90 Cb 0.02 -0.99 0.00 0.00 0.45 0.00 0.00 32.46 31.94 2aeg n ARG 90 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2aeg n GLU 92 N 0.28 -4.13 -1.65 -0.14 4.07 0.83 -4.59 120.64 115.31 2aeg n GLU 92 Ca 0.00 3.05 -0.42 0.00 -0.06 0.00 0.00 57.16 59.73 2aeg n GLU 92 Cb 0.00 -3.15 0.00 0.00 -0.06 0.00 0.00 31.44 28.23 2aeg n GLU 92 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 2aeg n PRO 93 N 1.32 1.65 -3.81 5.31 -0.02 -1.26 -4.50 135.00 133.70 2aeg n PRO 93 Ca 0.00 0.59 -0.30 0.00 -2.02 0.00 0.00 63.50 61.77 2aeg n PRO 93 Cb 0.00 -2.16 -0.15 0.00 -0.02 0.00 0.00 33.50 31.17 2aeg n PRO 93 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2aeg s ASP 94 N -0.58 4.10 0.43 2.55 -1.08 0.77 -4.99 116.67 117.86 2aeg s ASP 94 Ca 0.61 -1.65 0.09 0.00 -0.52 0.00 0.00 52.55 51.07 2aeg s ASP 94 Cb -0.56 -1.03 0.94 0.00 -1.46 0.00 0.00 42.92 40.80 2aeg s ASP 94 CO 0.58 -0.39 2.06 -0.09 0.52 0.00 0.00 175.17 177.86 2aeg h ARG 95 N 7.99 0.45 0.00 4.34 9.65 -1.85 -3.40 114.38 131.56 2aeg h ARG 95 Ca -0.12 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.73 2aeg h ARG 95 Cb 1.03 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.50 2aeg h ARG 95 CO 0.47 0.30 0.00 0.41 2.80 0.00 0.00 179.97 183.95 2aeg n GLY 96 N -1.49 2.60 3.23 2.80 0.00 -1.26 -4.59 105.19 106.48 2aeg n GLY 96 Ca 0.03 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 2aeg n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aeg s VAL 97 N -2.46 3.25 0.20 1.61 1.01 0.88 -4.73 120.40 120.16 2aeg s VAL 97 Ca 0.00 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.92 2aeg s VAL 97 Cb 0.00 -2.74 -0.08 0.00 0.00 0.00 0.00 36.38 33.56 2aeg s VAL 97 CO 0.00 0.04 1.48 0.71 0.00 0.00 0.00 175.10 177.33 2aeg h THR 98 N 6.18 1.39 -4.27 3.92 1.35 -1.88 -0.12 112.91 119.48 2aeg h THR 98 Ca -0.28 -2.09 -0.64 0.00 -0.55 0.00 0.00 66.41 62.85 2aeg h THR 98 Cb 1.09 2.07 -0.27 0.00 -1.73 0.00 0.00 68.15 69.32 2aeg h THR 98 CO 0.57 0.62 -0.86 0.20 -0.25 0.00 0.00 175.52 175.80 2aeg s ASN 99 N -6.94 2.83 -0.31 5.36 0.01 -1.26 -2.76 114.94 111.87 2aeg s ASN 99 Ca -0.05 -0.54 -0.01 0.00 -0.71 0.00 0.00 52.86 51.55 2aeg s ASN 99 Cb 0.11 -0.25 0.06 0.00 0.41 0.00 0.00 41.25 41.58 2aeg s ASN 99 CO 0.82 0.22 0.02 0.54 -1.51 0.00 0.00 177.10 177.19 2aeg s VAL 100 N -0.77 2.88 -0.21 1.60 0.11 -0.94 -4.96 120.40 118.12 2aeg s VAL 100 Ca 0.10 -1.58 0.05 0.00 -2.93 0.00 0.00 61.98 57.62 2aeg s VAL 100 Cb -0.09 -2.74 -0.16 0.00 -1.53 0.00 0.00 36.38 31.86 2aeg s VAL 100 CO 0.02 -0.21 -0.13 -1.14 -3.33 0.00 0.00 175.10 170.30 2aeg n ARG 101 N 4.57 0.72 -3.13 1.54 3.00 -1.26 -2.33 116.66 119.76 2aeg n ARG 101 Ca -0.10 0.09 -0.45 0.00 -0.00 0.00 0.00 57.85 57.39 2aeg n ARG 101 Cb 0.43 -1.44 -0.04 0.00 0.00 0.00 0.00 32.46 31.41 2aeg n ARG 101 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2aeg s LYS 102 N -2.43 3.11 0.57 -0.14 1.02 -1.26 -4.91 119.74 115.71 2aeg s LYS 102 Ca -0.24 -1.46 0.35 0.00 0.02 0.00 0.00 55.97 54.64 2aeg s LYS 102 Cb 0.07 -4.32 1.67 0.00 -0.52 0.00 0.00 37.83 34.73 2aeg s LYS 102 CO 0.55 -1.52 2.10 -0.07 -0.92 0.00 0.00 175.35 175.50 2aeg h LEU 103 N 9.76 0.00 -1.24 3.17 3.38 -1.98 -2.13 115.31 126.26 2aeg h LEU 103 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2aeg h LEU 103 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2aeg h LEU 103 CO 1.07 0.03 -0.08 -0.46 0.09 0.00 0.00 178.44 179.10 2aeg n ASN 104 N -3.19 2.01 -4.68 -0.43 6.94 -1.26 -4.71 115.26 109.93 2aeg n ASN 104 Ca -0.01 -1.60 -0.42 0.00 -0.02 0.00 0.00 54.58 52.53 2aeg n ASN 104 Cb 0.23 0.06 -0.03 0.00 -2.36 0.00 0.00 39.78 37.69 2aeg n ASN 104 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2aeg s LEU 105 N -2.11 4.36 0.29 -4.53 2.96 -0.81 -4.88 118.68 113.97 2aeg s LEU 105 Ca 0.31 2.43 0.02 0.00 -0.22 0.00 0.00 54.13 56.67 2aeg s LEU 105 Cb 0.20 -3.55 0.70 0.00 0.50 0.00 0.00 46.19 44.04 2aeg s LEU 105 CO 0.37 -0.91 1.64 -0.65 -1.32 0.00 0.00 176.35 175.48 2aeg h PRO 106 N 8.82 0.18 -0.84 0.98 0.11 -1.90 -0.97 132.00 138.38 2aeg h PRO 106 Ca -0.42 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.85 2aeg h PRO 106 Cb 1.20 -0.04 -0.11 0.00 0.11 0.00 0.00 31.00 32.16 2aeg h PRO 106 CO 0.94 0.12 0.38 1.25 -0.21 0.00 0.00 178.00 180.47 2aeg h HIS 107 N 0.18 0.65 0.00 0.65 2.76 -1.96 -2.15 115.15 115.28 2aeg h HIS 107 Ca 0.55 0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.68 2aeg h HIS 107 Cb 1.11 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 2aeg h HIS 107 CO -0.29 0.07 -0.38 -1.49 -1.30 0.00 0.00 177.93 174.54 2aeg h TRP 108 N 0.49 0.00 -0.30 5.26 -0.00 -1.50 -3.36 115.95 116.54 2aeg h TRP 108 Ca 0.48 0.00 0.09 0.00 -0.00 0.00 0.00 58.89 59.46 2aeg h TRP 108 Cb 0.79 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.93 2aeg h TRP 108 CO -0.13 0.38 0.46 1.79 -0.00 0.00 0.00 178.44 180.93 2aeg h THR 109 N 0.00 0.23 0.00 1.49 1.35 -1.28 -1.22 112.91 113.48 2aeg h THR 109 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2aeg h THR 109 Cb 1.23 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 2aeg h THR 109 CO 0.05 0.00 -0.16 0.08 -0.25 0.00 0.00 175.52 175.24 2aeg h ARG 110 N 0.00 0.00 -0.41 4.72 0.11 -1.74 -3.34 114.38 113.72 2aeg h ARG 110 Ca 0.14 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.99 2aeg h ARG 110 Cb 1.06 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 31.99 2aeg h ARG 110 CO -0.00 0.00 -0.09 0.91 0.10 0.00 0.00 179.97 180.88 2aeg n TRP 111 N -2.28 1.31 1.02 4.08 8.01 -0.46 -4.58 117.44 124.54 2aeg n TRP 111 Ca 0.05 -1.72 0.11 0.00 -1.31 0.00 0.00 57.50 54.63 2aeg n TRP 111 Cb 0.44 -0.53 -0.00 0.00 -2.01 0.00 0.00 31.31 29.21 2aeg n TRP 111 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 2aeg n PHE 112 N -1.09 0.00 -1.13 -5.99 3.72 -1.25 -4.74 117.46 106.97 2aeg n PHE 112 Ca 0.36 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.44 2aeg n PHE 112 Cb 1.03 -0.03 0.11 0.00 -0.94 0.00 0.00 39.48 39.65 2aeg n PHE 112 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2aeg s GLY 113 N -2.71 1.72 0.40 1.37 0.00 -1.26 -4.37 107.32 102.46 2aeg s GLY 113 Ca 0.14 0.38 0.13 0.00 0.00 0.00 0.00 44.72 45.38 2aeg s GLY 113 CO 0.69 0.75 1.91 -2.08 0.00 0.00 0.00 173.10 174.37 2aeg h VAL 114 N -1.26 0.82 0.00 1.40 2.07 -1.93 -1.90 116.25 115.45 2aeg h VAL 114 Ca -0.44 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2aeg h VAL 114 Cb 1.24 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2aeg h VAL 114 CO 0.49 0.09 0.00 -1.84 0.02 0.00 0.00 177.57 176.33 2aeg n GLU 115 N -4.50 0.14 -0.36 1.57 0.00 -1.26 -1.98 120.64 114.26 2aeg n GLU 115 Ca 0.15 0.55 0.08 0.00 0.00 0.00 0.00 57.16 57.93 2aeg n GLU 115 Cb 0.49 -1.88 0.22 0.00 0.00 0.00 0.00 31.44 30.28 2aeg n GLU 115 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2aeg n HIS 116 N -2.16 0.79 -3.05 -1.84 8.25 -0.71 -4.36 115.22 112.13 2aeg n HIS 116 Ca -0.00 -0.74 -0.35 0.00 -0.26 0.00 0.00 57.72 56.36 2aeg n HIS 116 Cb 0.10 -0.22 -0.06 0.00 1.12 0.00 0.00 29.99 30.93 2aeg n HIS 116 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2aeg s ARG 117 N -2.18 4.25 0.04 -0.41 1.81 -0.84 -1.08 118.95 120.54 2aeg s ARG 117 Ca 0.36 0.90 -0.20 0.00 -1.72 0.00 0.00 55.73 55.07 2aeg s ARG 117 Cb 0.26 -2.75 0.04 0.00 -0.45 0.00 0.00 34.95 32.06 2aeg s ARG 117 CO 0.11 0.31 0.45 0.00 -0.68 0.00 0.00 175.30 175.50 2aeg s LEU 119 N -1.95 3.71 -0.42 0.00 1.02 0.14 -0.78 118.68 120.40 2aeg s LEU 119 Ca -0.06 -0.03 -0.08 0.00 0.02 0.00 0.00 54.13 53.98 2aeg s LEU 119 Cb -0.01 -1.97 0.09 0.00 0.02 0.00 0.00 46.19 44.32 2aeg s LEU 119 CO -0.02 0.08 0.26 -0.69 0.02 0.00 0.00 176.35 176.00 2aeg s VAL 120 N 0.96 4.11 0.29 -1.59 1.01 -1.13 -0.93 120.40 123.12 2aeg s VAL 120 Ca 0.04 -1.52 -0.29 0.00 0.00 0.00 0.00 61.98 60.21 2aeg s VAL 120 Cb -0.14 -3.56 -0.10 0.00 0.00 0.00 0.00 36.38 32.57 2aeg s VAL 120 CO 0.03 -0.55 1.43 -2.16 0.00 0.00 0.00 175.10 173.85 2aeg s PRO 121 N 1.39 4.25 -0.16 2.72 0.04 -1.26 -0.76 135.00 141.22 2aeg s PRO 121 Ca 0.04 2.34 -0.12 0.00 0.04 0.00 0.00 61.00 63.29 2aeg s PRO 121 Cb -0.23 -3.08 0.05 0.00 0.04 0.00 0.00 34.50 31.28 2aeg s PRO 121 CO 0.01 -0.40 0.42 0.54 0.04 0.00 0.00 177.00 177.61 2aeg s VAL 122 N -0.38 -0.01 -0.04 -0.36 0.11 -1.26 -4.91 120.40 113.55 2aeg s VAL 122 Ca 0.57 0.04 0.16 0.00 -2.93 0.00 0.00 61.98 59.81 2aeg s VAL 122 Cb -0.42 -0.60 -0.24 0.00 -1.53 0.00 0.00 36.38 33.58 2aeg s VAL 122 CO 0.48 0.02 0.30 0.35 -3.33 0.00 0.00 175.10 172.92 2aeg n THR 123 N 3.48 0.17 -3.62 5.04 -2.24 -0.14 -4.53 114.28 112.44 2aeg n THR 123 Ca -0.18 -0.41 -0.10 0.00 -2.27 0.00 0.00 64.05 61.09 2aeg n THR 123 Cb 0.56 0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.74 2aeg n THR 123 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2aeg s SER 124 N -4.02 -0.44 0.12 3.42 1.04 -1.12 -4.51 113.70 108.20 2aeg s SER 124 Ca -0.06 0.75 0.06 0.00 0.48 0.00 0.00 55.95 57.18 2aeg s SER 124 Cb 0.09 0.73 -0.04 0.00 0.10 0.00 0.00 66.02 66.90 2aeg s SER 124 CO 0.66 -0.21 -0.15 0.72 0.98 0.00 0.00 173.24 175.24 2aeg s PHE 125 N -0.15 1.44 0.24 5.02 -0.12 -0.86 0.84 117.98 124.38 2aeg s PHE 125 Ca 0.01 -0.54 0.07 0.00 -0.05 0.00 0.00 56.93 56.42 2aeg s PHE 125 Cb -0.04 -0.75 -0.04 0.00 -0.63 0.00 0.00 43.02 41.56 2aeg s PHE 125 CO -0.04 0.16 0.16 0.00 -0.05 0.00 0.00 175.22 175.45 2aeg s ALA 126 N -2.10 3.53 -0.07 1.99 0.00 0.63 -1.24 121.76 124.50 2aeg s ALA 126 Ca 0.09 -1.40 -0.04 0.00 0.00 0.00 0.00 51.96 50.61 2aeg s ALA 126 Cb -0.05 -1.26 0.04 0.00 0.00 0.00 0.00 23.12 21.85 2aeg s ALA 126 CO 0.03 0.30 0.17 -1.21 0.00 0.00 0.00 175.76 175.05 2aeg s GLU 127 N -3.67 0.13 0.26 0.00 0.41 -0.44 -4.57 118.70 110.82 2aeg s GLU 127 Ca 0.32 0.38 -0.29 0.00 -0.41 0.00 0.00 54.97 54.97 2aeg s GLU 127 Cb -0.08 -0.12 -0.14 0.00 -1.78 0.00 0.00 34.13 32.01 2aeg s GLU 127 CO 0.24 -0.14 1.07 -2.30 -0.49 0.00 0.00 175.26 173.64 2aeg n PRO 128 N 3.99 1.36 -3.19 0.39 -0.02 -1.26 -0.86 135.00 135.42 2aeg n PRO 128 Ca -0.24 0.48 -0.25 0.00 -2.02 0.00 0.00 63.50 61.47 2aeg n PRO 128 Cb 0.53 -1.89 -0.06 0.00 -0.02 0.00 0.00 33.50 32.06 2aeg n PRO 128 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2aeg n ASP 129 N 1.44 2.71 0.23 2.55 2.03 0.28 -4.30 116.55 121.49 2aeg n ASP 129 Ca 0.11 -3.29 0.14 0.00 0.52 0.00 0.00 54.79 52.27 2aeg n ASP 129 Cb 0.30 -0.62 0.75 0.00 -0.72 0.00 0.00 41.12 40.84 2aeg n ASP 129 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2aeg h PRO 130 N 3.56 0.00 0.00 -0.67 0.13 -1.82 -1.22 132.00 131.99 2aeg h PRO 130 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2aeg h PRO 130 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2aeg h PRO 130 CO 0.69 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.46 2aeg n ALA 131 N -1.84 2.44 -0.10 -0.56 0.00 -1.26 -2.88 120.51 116.31 2aeg n ALA 131 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2aeg n ALA 131 Cb 0.12 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.25 2aeg n ALA 131 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2aeg n SER 132 N -0.88 0.24 -4.75 0.00 7.64 -0.46 -5.06 113.62 110.35 2aeg n SER 132 Ca 0.15 -0.57 -0.39 0.00 1.01 0.00 0.00 58.87 59.07 2aeg n SER 132 Cb 0.07 0.46 0.04 0.00 -1.01 0.00 0.00 64.21 63.77 2aeg n SER 132 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2aeg s LYS 133 N -0.46 3.15 0.38 1.43 2.20 -1.14 -4.91 119.74 120.40 2aeg s LYS 133 Ca 0.00 2.28 0.07 0.00 -0.36 0.00 0.00 55.97 57.97 2aeg s LYS 133 Cb 0.00 -2.28 -0.01 0.00 -1.51 0.00 0.00 37.83 34.03 2aeg s LYS 133 CO 0.00 -1.20 0.44 1.14 -0.36 0.00 0.00 175.35 175.37 2aeg s GLN 134 N -2.88 2.79 0.00 4.03 -2.07 -1.26 -5.05 119.66 115.21 2aeg s GLN 134 Ca 0.71 -1.29 0.00 0.00 -1.82 0.00 0.00 55.36 52.97 2aeg s GLN 134 Cb -0.41 -2.61 0.00 0.00 -1.09 0.00 0.00 33.01 28.90 2aeg s GLN 134 CO 0.49 -0.10 0.68 -1.91 -1.32 0.00 0.00 175.29 173.14 2aeg n GLU 135 N -1.62 0.00 -1.97 9.60 4.07 -1.26 -2.76 120.64 126.70 2aeg n GLU 135 Ca 0.03 0.58 -0.40 0.00 -0.06 0.00 0.00 57.16 57.31 2aeg n GLU 135 Cb 0.60 -1.18 -0.01 0.00 -0.06 0.00 0.00 31.44 30.79 2aeg n GLU 135 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2aeg n GLY 136 N -0.93 5.06 3.35 8.31 0.00 -1.26 -4.90 105.19 114.82 2aeg n GLY 136 Ca 0.00 -2.00 -0.11 0.00 0.00 0.00 0.00 46.02 43.91 2aeg n GLY 136 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2aeg s GLY 137 N 0.63 -0.39 0.76 -0.02 0.00 -1.11 -5.17 107.32 102.01 2aeg s GLY 137 Ca 0.54 0.17 -0.12 0.00 0.00 0.00 0.00 44.72 45.31 2aeg s GLY 137 CO -0.08 -0.11 1.11 -1.31 0.00 0.00 0.00 173.10 172.71 2aeg s ASN 138 N -2.71 4.93 -0.11 1.64 0.02 -1.26 -4.59 114.94 112.86 2aeg s ASN 138 Ca 0.02 1.16 -0.29 0.00 -1.02 0.00 0.00 52.86 52.73 2aeg s ASN 138 Cb 0.01 -1.90 -0.05 0.00 0.02 0.00 0.00 41.25 39.32 2aeg s ASN 138 CO -0.11 -1.67 1.70 -0.69 0.02 0.00 0.00 177.10 176.35 2aeg s VAL 139 N -3.30 3.54 0.98 1.60 1.01 -1.26 -4.63 120.40 118.34 2aeg s VAL 139 Ca 0.60 0.64 -0.16 0.00 0.00 0.00 0.00 61.98 63.05 2aeg s VAL 139 Cb -0.12 -3.47 0.20 0.00 0.00 0.00 0.00 36.38 32.98 2aeg s VAL 139 CO 0.53 -0.13 1.29 -2.16 0.00 0.00 0.00 175.10 174.63 2aeg s PRO 140 N 4.43 0.55 0.17 2.72 0.04 -1.26 -4.09 135.00 137.55 2aeg s PRO 140 Ca 0.76 -0.34 0.07 0.00 0.04 0.00 0.00 61.00 61.52 2aeg s PRO 140 Cb -0.31 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 2aeg s PRO 140 CO 0.31 -2.49 -0.14 -0.80 0.04 0.00 0.00 177.00 173.92 2aeg s ASN 141 N -4.77 2.27 -0.12 6.66 0.01 -0.51 -0.56 114.94 117.92 2aeg s ASN 141 Ca 0.73 -0.96 0.00 0.00 -0.71 0.00 0.00 52.86 51.92 2aeg s ASN 141 Cb -0.05 -0.09 -0.01 0.00 0.41 0.00 0.00 41.25 41.50 2aeg s ASN 141 CO 0.53 -0.19 -0.14 0.00 -1.51 0.00 0.00 177.10 175.79 2aeg s ALA 142 N -2.82 2.59 -0.18 0.60 0.00 -0.04 -2.07 121.76 119.85 2aeg s ALA 142 Ca 0.18 -0.90 -0.10 0.00 0.00 0.00 0.00 51.96 51.14 2aeg s ALA 142 Cb -0.01 -1.17 -0.05 0.00 0.00 0.00 0.00 23.12 21.89 2aeg s ALA 142 CO 0.04 0.27 0.14 -1.58 0.00 0.00 0.00 175.76 174.63 2aeg s TRP 143 N 0.29 3.45 0.05 0.00 0.52 0.90 -1.32 118.94 122.82 2aeg s TRP 143 Ca -0.10 0.37 0.06 0.00 0.02 0.00 0.00 56.10 56.46 2aeg s TRP 143 Cb -0.16 -2.12 -0.03 0.00 -1.15 0.00 0.00 33.47 30.01 2aeg s TRP 143 CO 0.06 0.38 -0.15 -0.06 0.02 0.00 0.00 176.95 177.20 2aeg s PHE 144 N 0.09 2.65 0.18 -1.98 0.08 -0.37 -0.67 117.98 117.95 2aeg s PHE 144 Ca 0.10 -0.20 -0.12 0.00 0.12 0.00 0.00 56.93 56.82 2aeg s PHE 144 Cb -0.11 -1.48 0.01 0.00 -0.57 0.00 0.00 43.02 40.86 2aeg s PHE 144 CO -0.01 0.31 0.38 0.00 -0.10 0.00 0.00 175.22 175.80 2aeg s ALA 145 N -1.00 -0.37 0.17 5.36 0.00 -0.78 -2.04 121.76 123.11 2aeg s ALA 145 Ca 0.16 -0.63 -0.10 0.00 0.00 0.00 0.00 51.96 51.40 2aeg s ALA 145 Cb -0.11 0.85 0.06 0.00 0.00 0.00 0.00 23.12 23.93 2aeg s ALA 145 CO 0.07 -0.71 1.65 -0.09 0.00 0.00 0.00 175.76 176.69 2aeg h ARG 146 N 2.41 1.01 -2.97 0.00 9.65 -1.81 -0.42 114.38 122.25 2aeg h ARG 146 Ca -0.30 -0.29 0.00 0.00 -1.10 0.00 0.00 59.98 58.29 2aeg h ARG 146 Cb 1.24 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.71 2aeg h ARG 146 CO 0.44 0.96 0.29 0.16 2.80 0.00 0.00 179.97 184.62 2aeg s ASP 147 N -6.43 -0.02 0.55 -3.80 1.47 -1.26 -4.48 116.67 102.71 2aeg s ASP 147 Ca -0.12 -1.07 0.32 0.00 1.18 0.00 0.00 52.55 52.86 2aeg s ASP 147 Cb 0.13 0.82 1.59 0.00 -0.34 0.00 0.00 42.92 45.12 2aeg s ASP 147 CO 0.84 -1.62 2.09 -0.33 0.68 0.00 0.00 175.17 176.83 2aeg h GLU 148 N 2.00 0.00 -0.00 2.11 5.08 -1.99 0.12 114.58 121.89 2aeg h GLU 148 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2aeg h GLU 148 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2aeg h GLU 148 CO 0.39 0.07 -0.03 0.00 -1.00 0.00 0.00 179.01 178.44 2aeg n ALA 149 N -2.18 2.67 -3.57 3.43 0.00 -1.26 -4.93 120.51 114.66 2aeg n ALA 149 Ca -0.01 -0.26 -0.22 0.00 0.00 0.00 0.00 53.44 52.95 2aeg n ALA 149 Cb 0.24 -1.40 0.05 0.00 0.00 0.00 0.00 19.45 18.34 2aeg n ALA 149 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2aeg n LYS 150 N -0.79 -3.48 -1.69 0.00 5.02 0.41 -4.88 118.16 112.74 2aeg n LYS 150 Ca 0.19 0.65 -0.42 0.00 -2.02 0.00 0.00 58.31 56.71 2aeg n LYS 150 Cb 0.22 -5.11 -0.00 0.00 -0.02 0.00 0.00 35.03 30.12 2aeg n LYS 150 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2aeg n SER 151 N -3.00 2.59 -4.53 4.39 7.64 -1.26 -4.78 113.62 114.65 2aeg n SER 151 Ca -0.19 1.18 -0.29 0.00 1.01 0.00 0.00 58.87 60.57 2aeg n SER 151 Cb 0.64 -1.47 0.23 0.00 -1.01 0.00 0.00 64.21 62.60 2aeg n SER 151 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2aeg n LEU 152 N 0.64 0.07 -3.67 -3.43 7.94 -1.26 -4.58 117.00 112.71 2aeg n LEU 152 Ca 0.05 0.02 -0.11 0.00 -1.11 0.00 0.00 56.01 54.87 2aeg n LEU 152 Cb 0.37 -1.33 -0.09 0.00 0.53 0.00 0.00 43.42 42.90 2aeg n LEU 152 CO 0.61 -2.94 0.23 -0.36 -1.11 0.00 0.00 177.39 173.82 2aeg s PHE 154 N -2.48 -0.75 0.32 1.96 0.08 -0.94 -5.00 117.98 111.17 2aeg s PHE 154 Ca 0.68 1.65 -0.20 0.00 0.12 0.00 0.00 56.93 59.18 2aeg s PHE 154 Cb -0.25 0.36 -0.09 0.00 -0.57 0.00 0.00 43.02 42.46 2aeg s PHE 154 CO 0.63 -0.38 0.83 -0.06 -0.10 0.00 0.00 175.22 176.13 2aeg s PHE 155 N 1.01 3.51 -0.69 0.36 0.08 0.06 0.40 117.98 122.71 2aeg s PHE 155 Ca -0.06 1.48 -0.27 0.00 0.12 0.00 0.00 56.93 58.20 2aeg s PHE 155 Cb -0.06 -2.71 0.02 0.00 -0.57 0.00 0.00 43.02 39.70 2aeg s PHE 155 CO -0.09 0.14 1.35 0.00 -0.10 0.00 0.00 175.22 176.52 2aeg s ALA 156 N -1.82 2.72 0.37 5.36 0.00 -1.22 -2.82 121.76 124.36 2aeg s ALA 156 Ca 0.52 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 51.35 2aeg s ALA 156 Cb -0.14 -4.22 -0.02 0.00 0.00 0.00 0.00 23.12 18.75 2aeg s ALA 156 CO 0.19 -3.24 0.56 0.20 0.00 0.00 0.00 175.76 173.47 2aeg s GLY 157 N 4.20 1.44 -0.04 0.00 0.00 0.04 -1.60 107.32 111.35 2aeg s GLY 157 Ca 0.42 -1.07 -0.02 0.00 0.00 0.00 0.00 44.72 44.05 2aeg s GLY 157 CO 0.18 -0.97 0.07 -0.42 0.00 0.00 0.00 173.10 171.96 2aeg s ILE 158 N -2.35 -0.11 0.23 0.90 1.01 0.98 -1.96 121.20 119.91 2aeg s ILE 158 Ca 0.43 0.35 0.11 0.00 0.00 0.00 0.00 60.65 61.54 2aeg s ILE 158 Cb -0.10 -0.15 -0.05 0.00 0.01 0.00 0.00 42.46 42.18 2aeg s ILE 158 CO 0.35 0.15 -0.18 -1.38 0.00 0.00 0.00 174.94 173.88 2aeg s HIS 159 N 1.85 2.39 -0.27 3.97 -3.43 -0.25 -1.10 115.29 118.45 2aeg s HIS 159 Ca 0.00 -0.31 -0.02 0.00 -0.80 0.00 0.00 55.06 53.93 2aeg s HIS 159 Cb -0.12 -1.12 0.09 0.00 -1.43 0.00 0.00 32.58 30.00 2aeg s HIS 159 CO -0.03 0.59 0.08 0.08 -2.00 0.00 0.00 174.74 173.46 2aeg s VAL 160 N -2.03 0.60 0.42 -5.38 1.01 0.64 -4.73 120.40 110.93 2aeg s VAL 160 Ca 0.26 -1.02 -0.25 0.00 0.00 0.00 0.00 61.98 60.97 2aeg s VAL 160 Cb -0.07 -1.35 -0.08 0.00 0.00 0.00 0.00 36.38 34.88 2aeg s VAL 160 CO 0.14 -0.54 1.20 -2.16 0.00 0.00 0.00 175.10 173.74 2aeg s PRO 161 N 1.78 3.93 -0.56 2.72 0.04 -1.26 -0.75 135.00 140.89 2aeg s PRO 161 Ca 0.06 1.90 -0.16 0.00 0.04 0.00 0.00 61.00 62.84 2aeg s PRO 161 Cb -0.17 -2.61 0.02 0.00 0.04 0.00 0.00 34.50 31.78 2aeg s PRO 161 CO -0.22 -0.44 0.54 1.04 0.04 0.00 0.00 177.00 177.96 2aeg n GLN 162 N -0.09 -1.49 -3.88 4.56 1.13 -1.19 -4.89 117.38 111.54 2aeg n GLN 162 Ca 0.05 0.91 -0.36 0.00 -1.94 0.00 0.00 57.00 55.66 2aeg n GLN 162 Cb 0.46 -1.82 -0.12 0.00 0.11 0.00 0.00 30.24 28.88 2aeg n GLN 162 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 2aeg s TRP 163 N -2.12 3.11 -0.16 1.08 -0.11 0.10 -4.80 118.94 116.04 2aeg s TRP 163 Ca 0.15 -0.32 -0.19 0.00 1.22 0.00 0.00 56.10 56.97 2aeg s TRP 163 Cb -0.02 -2.18 -0.04 0.00 -1.50 0.00 0.00 33.47 29.74 2aeg s TRP 163 CO 0.77 -0.23 0.52 -1.59 -4.62 0.00 0.00 176.95 171.80 2aeg s LYS 164 N 1.25 4.26 -0.00 5.86 0.00 -1.25 -1.62 119.74 128.23 2aeg s LYS 164 Ca 0.04 0.46 -0.29 0.00 0.00 0.00 0.00 55.97 56.19 2aeg s LYS 164 Cb -0.15 -3.51 0.10 0.00 0.00 0.00 0.00 37.83 34.28 2aeg s LYS 164 CO 0.03 -0.02 1.27 -1.54 0.00 0.00 0.00 175.35 175.09 2aeg s SER 165 N 0.93 -0.02 -0.72 0.03 1.04 -0.35 -4.96 113.70 109.65 2aeg s SER 165 Ca 0.26 -0.21 -0.16 0.00 0.48 0.00 0.00 55.95 56.32 2aeg s SER 165 Cb -0.15 0.17 0.17 0.00 0.10 0.00 0.00 66.02 66.31 2aeg s SER 165 CO 0.10 -0.34 0.72 -0.69 0.98 0.00 0.00 173.24 174.01 2aeg s VAL 166 N -2.19 5.29 -0.02 5.02 1.01 -1.26 -1.00 120.40 127.25 2aeg s VAL 166 Ca 0.23 -1.88 -0.25 0.00 0.00 0.00 0.00 61.98 60.08 2aeg s VAL 166 Cb 0.02 -4.47 -0.20 0.00 0.00 0.00 0.00 36.38 31.73 2aeg s VAL 166 CO -0.02 -1.05 1.24 0.03 0.00 0.00 0.00 175.10 175.31 2aeg h ARG 167 N 8.42 0.08 -4.31 2.72 2.47 -1.77 0.22 114.38 122.21 2aeg h ARG 167 Ca -0.07 -0.05 -0.53 0.00 -1.26 0.00 0.00 59.98 58.08 2aeg h ARG 167 Cb 1.06 0.00 -0.36 0.00 -1.65 0.00 0.00 29.97 29.03 2aeg h ARG 167 CO 0.92 0.59 -0.81 0.15 0.56 0.00 0.00 179.97 181.38 2aeg s LYS 168 N -4.10 1.59 0.31 0.04 1.02 -1.26 -4.18 119.74 113.16 2aeg s LYS 168 Ca -0.16 -0.30 0.06 0.00 0.02 0.00 0.00 55.97 55.60 2aeg s LYS 168 Cb 0.02 -1.57 0.87 0.00 -0.52 0.00 0.00 37.83 36.63 2aeg s LYS 168 CO 0.69 -0.21 1.62 -0.24 -0.92 0.00 0.00 175.35 176.29 2aeg h VAL 169 N 6.13 0.18 -0.53 3.17 3.04 -1.87 0.16 116.25 126.53 2aeg h VAL 169 Ca -0.31 -0.04 -0.04 0.00 -1.01 0.00 0.00 66.70 65.30 2aeg h VAL 169 Cb 1.14 0.04 -0.03 0.00 -2.01 0.00 0.00 31.29 30.43 2aeg h VAL 169 CO 0.43 0.02 0.16 -0.09 -1.01 0.00 0.00 177.57 177.08 2aeg h ARG 170 N 0.13 0.79 0.00 4.17 2.43 -2.00 -2.66 114.38 117.24 2aeg h ARG 170 Ca 0.63 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.66 2aeg h ARG 170 Cb 1.39 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2aeg h ARG 170 CO -0.74 0.69 -0.08 -0.25 -1.51 0.00 0.00 179.97 178.08 2aeg n ASP 171 N -4.30 0.46 0.00 -3.80 10.43 0.52 -5.03 116.55 114.83 2aeg n ASP 171 Ca 0.04 0.46 0.00 0.00 2.57 0.00 0.00 54.79 57.86 2aeg n ASP 171 Cb 0.20 -0.54 0.00 0.00 1.84 0.00 0.00 41.12 42.61 2aeg n ASP 171 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2aeg n GLY 172 N 1.40 -0.13 3.70 0.44 0.00 -0.92 -4.73 105.19 104.94 2aeg n GLY 172 Ca 0.06 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 2aeg n GLY 172 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2aeg s LEU 173 N 0.00 4.32 0.16 0.99 1.98 -1.26 -4.19 118.68 120.67 2aeg s LEU 173 Ca 0.00 1.66 0.01 0.00 -2.89 0.00 0.00 54.13 52.92 2aeg s LEU 173 Cb 0.00 -3.56 -0.04 0.00 0.66 0.00 0.00 46.19 43.24 2aeg s LEU 173 CO 0.00 -0.38 -0.00 0.42 -1.89 0.00 0.00 176.35 174.50 2aeg s THR 174 N 1.50 0.62 -0.33 3.68 -4.23 -0.17 -4.94 115.64 111.77 2aeg s THR 174 Ca 0.52 -1.97 -0.00 0.00 -1.18 0.00 0.00 61.69 59.06 2aeg s THR 174 Cb -0.21 -2.05 0.08 0.00 1.34 0.00 0.00 72.50 71.65 2aeg s THR 174 CO 0.24 -0.53 0.05 -0.89 -0.54 0.00 0.00 174.62 172.95 2aeg s THR 175 N -3.69 2.80 0.16 3.99 2.01 -1.26 -1.21 115.64 118.44 2aeg s THR 175 Ca 0.22 -1.79 0.09 0.00 0.31 0.00 0.00 61.69 60.52 2aeg s THR 175 Cb 0.06 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 2aeg s THR 175 CO 0.03 -0.35 -0.20 -1.81 -0.69 0.00 0.00 174.62 171.60 2aeg s ASP 176 N 1.31 2.76 -0.09 3.53 1.01 -0.64 -4.76 116.67 119.79 2aeg s ASP 176 Ca 0.01 -0.83 -0.24 0.00 0.71 0.00 0.00 52.55 52.20 2aeg s ASP 176 Cb -0.20 -0.17 -0.03 0.00 1.01 0.00 0.00 42.92 43.53 2aeg s ASP 176 CO -0.04 0.01 0.75 -1.81 0.21 0.00 0.00 175.17 174.29 2aeg s ASP 177 N -2.51 7.00 0.23 0.27 1.01 -1.26 0.00 116.67 121.42 2aeg s ASP 177 Ca 0.14 1.21 0.10 0.00 0.71 0.00 0.00 52.55 54.71 2aeg s ASP 177 Cb -0.07 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 2aeg s ASP 177 CO 0.07 -0.21 -0.08 -0.76 0.21 0.00 0.00 175.17 174.39 2aeg s LEU 178 N 1.21 2.97 0.16 1.23 1.43 0.07 0.05 118.68 125.79 2aeg s LEU 178 Ca 0.39 -0.70 -0.15 0.00 -1.03 0.00 0.00 54.13 52.63 2aeg s LEU 178 Cb -0.18 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.52 2aeg s LEU 178 CO 0.17 0.05 0.42 -0.72 0.23 0.00 0.00 176.35 176.51 2aeg s TYR 179 N -2.10 -0.08 0.19 0.29 -0.85 -0.78 -0.26 117.35 113.76 2aeg s TYR 179 Ca 0.28 -0.26 -0.23 0.00 -0.52 0.00 0.00 57.07 56.35 2aeg s TYR 179 Cb -0.07 0.26 0.07 0.00 0.38 0.00 0.00 41.96 42.60 2aeg s TYR 179 CO 0.17 -0.78 0.99 0.20 -1.52 0.00 0.00 175.55 174.61 2aeg s GLY 180 N -2.85 0.01 0.07 5.49 0.00 -0.26 -0.57 107.32 109.20 2aeg s GLY 180 Ca 0.07 -0.20 -0.05 0.00 0.00 0.00 0.00 44.72 44.55 2aeg s GLY 180 CO -0.07 1.32 0.07 -0.11 0.00 0.00 0.00 173.10 174.31 2aeg s PHE 181 N -2.57 0.36 0.48 1.90 -0.71 -1.11 -0.01 117.98 116.32 2aeg s PHE 181 Ca 0.18 -0.85 -0.20 0.00 -1.04 0.00 0.00 56.93 55.01 2aeg s PHE 181 Cb -0.02 -0.24 -0.09 0.00 -1.21 0.00 0.00 43.02 41.46 2aeg s PHE 181 CO 0.05 -0.46 1.03 -0.51 -1.34 0.00 0.00 175.22 173.99 2aeg s LEU 182 N -2.90 3.86 0.31 -1.99 1.02 -0.63 -2.22 118.68 116.12 2aeg s LEU 182 Ca 0.06 1.92 0.06 0.00 0.02 0.00 0.00 54.13 56.20 2aeg s LEU 182 Cb 0.07 -4.55 -0.06 0.00 0.02 0.00 0.00 46.19 41.66 2aeg s LEU 182 CO -0.10 -0.75 -0.03 0.42 0.02 0.00 0.00 176.35 175.90 2aeg s THR 183 N -1.98 1.64 0.02 5.49 -4.23 -0.99 -1.41 115.64 114.18 2aeg s THR 183 Ca 0.67 -2.10 -0.00 0.00 -1.18 0.00 0.00 61.69 59.08 2aeg s THR 183 Cb -0.16 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.10 2aeg s THR 183 CO 0.20 -0.21 0.03 1.07 -0.54 0.00 0.00 174.62 175.17 2aeg n THR 184 N -0.66 0.00 -2.23 3.99 5.66 -1.26 -4.58 114.28 115.20 2aeg n THR 184 Ca -0.05 -0.07 -0.36 0.00 -3.05 0.00 0.00 64.05 60.52 2aeg n THR 184 Cb 0.64 0.05 -0.00 0.00 -1.55 0.00 0.00 70.33 69.47 2aeg n THR 184 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2aeg s ASP 185 N -1.11 5.98 0.42 1.09 1.01 -1.26 -4.48 116.67 118.32 2aeg s ASP 185 Ca 0.01 2.29 -0.22 0.00 0.71 0.00 0.00 52.55 55.34 2aeg s ASP 185 Cb -0.00 -2.60 -0.11 0.00 1.01 0.00 0.00 42.92 41.22 2aeg s ASP 185 CO 0.01 -1.05 0.95 -2.16 0.21 0.00 0.00 175.17 173.13 2aeg s PRO 186 N -2.89 4.27 0.43 8.23 0.04 -1.26 -4.48 135.00 139.33 2aeg s PRO 186 Ca 0.67 1.16 -0.02 0.00 0.04 0.00 0.00 61.00 62.85 2aeg s PRO 186 Cb -0.28 -2.26 0.09 0.00 0.04 0.00 0.00 34.50 32.09 2aeg s PRO 186 CO 0.33 -0.00 0.58 0.27 0.04 0.00 0.00 177.00 178.22 2aeg n ASN 187 N -0.48 0.62 0.10 6.66 2.04 -1.26 -4.62 115.26 118.32 2aeg n ASN 187 Ca 0.06 -1.56 0.08 0.00 -0.44 0.00 0.00 54.58 52.73 2aeg n ASN 187 Cb 0.53 -0.39 0.40 0.00 -2.53 0.00 0.00 39.78 37.79 2aeg n ASN 187 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 2aeg n ASP 188 N -3.04 0.40 -0.04 0.53 8.00 -1.26 -0.94 116.55 120.19 2aeg n ASP 188 Ca 0.09 0.66 -0.11 0.00 0.71 0.00 0.00 54.79 56.13 2aeg n ASP 188 Cb 0.32 -0.72 -0.14 0.00 -0.02 0.00 0.00 41.12 40.56 2aeg n ASP 188 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2aeg n LEU 189 N -2.00 1.13 -0.05 0.64 7.94 -1.26 -4.51 117.00 118.88 2aeg n LEU 189 Ca 0.00 0.28 -0.21 0.00 -1.11 0.00 0.00 56.01 54.97 2aeg n LEU 189 Cb 0.07 -0.05 -0.13 0.00 0.53 0.00 0.00 43.42 43.85 2aeg n LEU 189 CO 0.10 0.51 -0.95 0.52 -1.11 0.00 0.00 177.39 176.46 2aeg n VAL 190 N -3.08 1.66 -0.25 1.96 0.31 -0.83 -4.52 118.33 113.59 2aeg n VAL 190 Ca -0.24 -0.53 0.03 0.00 -0.01 0.00 0.00 64.34 63.60 2aeg n VAL 190 Cb 1.07 -1.71 0.12 0.00 -0.91 0.00 0.00 33.84 32.40 2aeg n VAL 190 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2aeg h LYS 191 N -0.18 0.05 -0.10 5.55 3.64 -1.09 0.12 116.57 124.57 2aeg h LYS 191 Ca -0.47 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.93 2aeg h LYS 191 Cb 1.87 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.67 2aeg h LYS 191 CO -0.03 0.03 0.26 -1.35 -2.27 0.00 0.00 179.45 176.09 2aeg h PRO 192 N 0.05 0.00 0.00 1.90 0.11 -1.79 -3.01 132.00 129.26 2aeg h PRO 192 Ca 0.37 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 66.11 2aeg h PRO 192 Cb 0.62 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.67 2aeg h PRO 192 CO -0.69 0.00 -2.23 -0.89 -0.21 0.00 0.00 178.00 173.98 2aeg n ILE 193 N -3.23 1.46 -3.91 4.15 5.41 0.17 -4.92 119.36 118.49 2aeg n ILE 193 Ca -0.00 -0.28 -0.29 0.00 1.00 0.00 0.00 62.75 63.18 2aeg n ILE 193 Cb 0.35 -1.94 -0.16 0.00 -0.71 0.00 0.00 39.64 37.18 2aeg n ILE 193 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 2aeg s HIS 194 N -2.55 1.87 -0.68 1.39 5.04 0.17 -4.61 115.29 115.93 2aeg s HIS 194 Ca -0.35 -1.21 0.24 0.00 -1.54 0.00 0.00 55.06 52.20 2aeg s HIS 194 Cb 0.13 -1.39 0.40 0.00 0.04 0.00 0.00 32.58 31.76 2aeg s HIS 194 CO 0.46 -0.65 1.37 -1.91 -2.34 0.00 0.00 174.74 171.66 2aeg n GLU 195 N 4.83 0.27 0.18 2.88 2.13 -1.21 -3.58 120.64 126.14 2aeg n GLU 195 Ca -0.12 0.09 -0.14 0.00 0.66 0.00 0.00 57.16 57.64 2aeg n GLU 195 Cb 0.47 -1.68 -0.08 0.00 0.27 0.00 0.00 31.44 30.42 2aeg n GLU 195 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2aeg h LYS 196 N 0.00 -0.40 0.00 5.31 3.64 -1.95 -3.45 116.57 119.72 2aeg h LYS 196 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2aeg h LYS 196 Cb 0.72 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2aeg h LYS 196 CO 0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 179.45 177.01 2aeg n ALA 197 N -2.37 0.00 -2.70 5.00 0.00 -1.26 -4.75 120.51 114.43 2aeg n ALA 197 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.08 2aeg n ALA 197 Cb 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.61 2aeg n ALA 197 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2aeg s PRO 199 N -0.33 2.55 -0.00 0.00 0.04 -1.26 -4.70 135.00 131.29 2aeg s PRO 199 Ca 0.00 -1.07 -0.28 0.00 0.04 0.00 0.00 61.00 59.68 2aeg s PRO 199 Cb 0.00 -2.42 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 2aeg s PRO 199 CO 0.00 0.45 0.91 0.08 0.04 0.00 0.00 177.00 178.48 2aeg s VAL 200 N -1.81 4.87 -0.01 -0.36 1.01 -0.50 -4.74 120.40 118.86 2aeg s VAL 200 Ca 0.29 1.91 0.06 0.00 0.00 0.00 0.00 61.98 64.23 2aeg s VAL 200 Cb -0.09 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 2aeg s VAL 200 CO 0.20 0.20 -0.19 -0.76 0.00 0.00 0.00 175.10 174.56 2aeg s LEU 201 N 0.83 2.04 -0.27 3.92 1.43 -1.26 -3.38 118.68 121.99 2aeg s LEU 201 Ca 0.48 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 53.17 2aeg s LEU 201 Cb -0.20 -0.95 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 2aeg s LEU 201 CO 0.26 0.23 0.07 -0.76 0.23 0.00 0.00 176.35 176.37 2aeg s LEU 202 N -0.43 3.55 -0.07 1.79 1.43 0.16 -4.95 118.68 120.15 2aeg s LEU 202 Ca 0.07 -0.42 0.19 0.00 -1.03 0.00 0.00 54.13 52.95 2aeg s LEU 202 Cb -0.07 -1.89 -0.26 0.00 0.03 0.00 0.00 46.19 44.00 2aeg s LEU 202 CO -0.01 -0.10 0.40 0.18 0.23 0.00 0.00 176.35 177.05 2aeg n LEU 203 N 4.89 0.18 -4.59 1.79 4.77 -1.26 -2.21 117.00 120.57 2aeg n LEU 203 Ca -0.16 0.08 -0.27 0.00 -0.03 0.00 0.00 56.01 55.63 2aeg n LEU 203 Cb 0.50 0.21 -0.11 0.00 -2.33 0.00 0.00 43.42 41.69 2aeg n LEU 203 CO 0.31 0.22 -0.33 0.42 -1.33 0.00 0.00 177.39 176.68 2aeg s THR 204 N -3.00 2.09 0.09 -5.08 -4.23 -1.26 -5.00 115.64 99.25 2aeg s THR 204 Ca -0.08 -2.08 -0.19 0.00 -1.18 0.00 0.00 61.69 58.17 2aeg s THR 204 Cb 0.10 -2.87 -0.08 0.00 1.34 0.00 0.00 72.50 70.99 2aeg s THR 204 CO 0.86 -0.08 1.55 -0.09 -0.54 0.00 0.00 174.62 176.32 2aeg h ARG 205 N 1.86 0.43 -0.81 3.99 2.43 -1.99 -2.12 114.38 118.17 2aeg h ARG 205 Ca -0.43 -0.12 0.16 0.00 -0.81 0.00 0.00 59.98 58.78 2aeg h ARG 205 Cb 1.24 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.69 2aeg h ARG 205 CO 0.77 0.57 0.54 1.05 -1.51 0.00 0.00 179.97 181.39 2aeg h GLU 206 N 0.23 0.43 -0.26 0.20 9.09 -1.99 0.20 114.58 122.48 2aeg h GLU 206 Ca 0.08 -0.03 -0.19 0.00 0.05 0.00 0.00 59.36 59.27 2aeg h GLU 206 Cb 0.36 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 2aeg h GLU 206 CO 0.01 0.29 -0.57 0.93 0.05 0.00 0.00 179.01 179.71 2aeg h GLU 207 N 0.45 0.84 -0.29 1.06 5.08 -1.89 -2.04 114.58 117.79 2aeg h GLU 207 Ca 0.41 -0.56 -0.11 0.00 -1.00 0.00 0.00 59.36 58.10 2aeg h GLU 207 Cb 0.92 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2aeg h GLU 207 CO -0.14 1.19 -0.27 1.79 -1.00 0.00 0.00 179.01 180.58 2aeg h THR 208 N 0.61 1.27 -0.37 1.13 1.35 -0.23 -2.40 112.91 114.27 2aeg h THR 208 Ca 0.00 -1.34 -0.07 0.00 -0.55 0.00 0.00 66.41 64.45 2aeg h THR 208 Cb 1.19 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 68.94 2aeg h THR 208 CO 0.13 0.43 -0.04 -0.33 -0.25 0.00 0.00 175.52 175.46 2aeg h GLU 209 N 0.51 0.68 -0.34 4.72 4.39 -0.65 -2.99 114.58 120.90 2aeg h GLU 209 Ca 0.07 -0.23 0.05 0.00 0.34 0.00 0.00 59.36 59.59 2aeg h GLU 209 Cb 0.73 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.28 2aeg h GLU 209 CO 0.06 0.80 0.06 0.82 -1.16 0.00 0.00 179.01 179.59 2aeg h ILE 210 N 0.49 0.82 0.00 3.13 1.08 -1.20 0.90 117.51 122.73 2aeg h ILE 210 Ca 0.10 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 2aeg h ILE 210 Cb 0.52 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 2aeg h ILE 210 CO 0.03 0.03 0.00 1.87 -0.69 0.00 0.00 178.15 179.39 2aeg n TRP 211 N -5.10 0.00 0.00 1.37 -0.00 -0.92 -0.54 117.44 112.25 2aeg n TRP 211 Ca 0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 2aeg n TRP 211 Cb 0.16 -0.04 0.00 0.00 -0.00 0.00 0.00 31.31 31.43 2aeg n TRP 211 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 2aeg n ARG 213 N 0.53 0.00 -2.69 5.87 1.74 0.31 -4.84 116.66 117.57 2aeg n ARG 213 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 2aeg n ARG 213 Cb 0.05 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.43 2aeg n ARG 213 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2aeg s ALA 214 N -1.60 3.06 0.64 7.54 0.00 0.30 -4.99 121.76 126.71 2aeg s ALA 214 Ca 0.00 0.54 -0.17 0.00 0.00 0.00 0.00 51.96 52.33 2aeg s ALA 214 Cb 0.00 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 2aeg s ALA 214 CO 0.00 -0.02 1.21 -1.25 0.00 0.00 0.00 175.76 175.69 2aeg s PRO 215 N -2.74 2.71 0.33 0.00 0.04 -1.26 -4.52 135.00 129.56 2aeg s PRO 215 Ca 0.59 1.80 0.12 0.00 0.04 0.00 0.00 61.00 63.55 2aeg s PRO 215 Cb -0.16 -1.90 1.00 0.00 0.04 0.00 0.00 34.50 33.48 2aeg s PRO 215 CO 0.20 -1.40 1.68 2.35 0.04 0.00 0.00 177.00 179.87 2aeg h TRP 216 N 0.49 0.89 0.00 0.56 2.91 -1.96 0.31 115.95 119.15 2aeg h TRP 216 Ca -0.50 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.56 2aeg h TRP 216 Cb 1.30 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 29.72 2aeg h TRP 216 CO 0.47 -0.12 0.03 -0.44 -1.03 0.00 0.00 178.44 177.35 2aeg h ASP 217 N 0.37 0.00 0.00 2.65 5.19 -1.94 0.03 116.42 122.73 2aeg h ASP 217 Ca 0.69 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.85 2aeg h ASP 217 Cb 1.51 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.98 2aeg h ASP 217 CO -0.58 0.00 -1.79 1.21 -3.12 0.00 0.00 179.24 174.96 2aeg n GLU 218 N -2.69 0.48 -0.03 3.56 2.13 0.10 -4.64 120.64 119.55 2aeg n GLU 218 Ca -0.02 0.21 0.08 0.00 0.66 0.00 0.00 57.16 58.09 2aeg n GLU 218 Cb 0.09 -1.33 0.48 0.00 0.27 0.00 0.00 31.44 30.95 2aeg n GLU 218 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2aeg h ALA 219 N -0.85 1.88 0.00 4.31 0.00 -1.15 -2.17 119.26 121.29 2aeg h ALA 219 Ca -0.38 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2aeg h ALA 219 Cb 1.28 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2aeg h ALA 219 CO -0.23 0.04 -0.00 1.57 0.00 0.00 0.00 179.25 180.62 2aeg h LYS 220 N 0.45 0.00 0.00 0.00 2.10 -1.25 -2.38 116.57 115.49 2aeg h LYS 220 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 2aeg h LYS 220 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2aeg h LYS 220 CO -0.05 0.00 0.00 0.45 -2.00 0.00 0.00 179.45 177.85 2aeg h HIS 221 N 0.00 0.00 -0.04 0.07 3.86 -1.63 -2.61 115.15 114.80 2aeg h HIS 221 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2aeg h HIS 221 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 2aeg h HIS 221 CO 0.00 0.00 0.00 1.47 0.86 0.00 0.00 177.93 180.26 2aeg n LEU 222 N -2.61 0.38 -4.38 2.43 -0.00 -0.90 -4.40 117.00 107.53 2aeg n LEU 222 Ca 0.03 -0.16 -0.43 0.00 -0.00 0.00 0.00 56.01 55.44 2aeg n LEU 222 Cb 0.36 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 2aeg n LEU 222 CO 0.27 0.08 1.69 0.00 -0.00 0.00 0.00 177.39 179.43 2aeg n ALA 223 N -0.51 4.08 -2.68 1.47 0.00 -0.98 -4.84 120.51 117.05 2aeg n ALA 223 Ca 0.13 -4.14 -0.09 0.00 0.00 0.00 0.00 53.44 49.34 2aeg n ALA 223 Cb 0.12 -3.21 -0.08 0.00 0.00 0.00 0.00 19.45 16.27 2aeg n ALA 223 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2aeg s ARG 224 N 2.16 0.71 0.60 0.00 1.70 -1.26 -5.00 118.95 117.86 2aeg s ARG 224 Ca 0.45 -0.80 -0.19 0.00 -0.47 0.00 0.00 55.73 54.72 2aeg s ARG 224 Cb 0.01 0.28 -0.03 0.00 -0.57 0.00 0.00 34.95 34.65 2aeg s ARG 224 CO 0.02 -0.20 1.23 -1.25 -1.08 0.00 0.00 175.30 174.02 2aeg s PRO 225 N -3.07 2.93 0.77 3.89 0.04 -1.26 -4.69 135.00 133.62 2aeg s PRO 225 Ca -0.01 1.89 -0.11 0.00 0.04 0.00 0.00 61.00 62.81 2aeg s PRO 225 Cb 0.01 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.66 2aeg s PRO 225 CO -0.07 -1.25 1.09 -0.51 0.04 0.00 0.00 177.00 176.30 2aeg s LEU 226 N -4.06 3.00 1.07 -3.56 1.43 -1.26 -4.99 118.68 110.31 2aeg s LEU 226 Ca 0.78 1.79 -0.13 0.00 -1.03 0.00 0.00 54.13 55.53 2aeg s LEU 226 Cb -0.32 -4.49 0.18 0.00 0.03 0.00 0.00 46.19 41.59 2aeg s LEU 226 CO 0.35 -2.01 0.76 -2.65 0.23 0.00 0.00 176.35 173.02 2aeg n PRO 227 N -3.51 -1.49 0.22 1.29 -0.02 -1.26 -4.83 135.00 125.40 2aeg n PRO 227 Ca 0.09 -0.40 0.08 0.00 -2.02 0.00 0.00 63.50 61.25 2aeg n PRO 227 Cb 0.53 -2.08 0.51 0.00 -0.02 0.00 0.00 33.50 32.45 2aeg n PRO 227 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2aeg h ASN 228 N -2.21 0.00 -0.39 2.55 2.35 -1.99 -3.04 115.58 112.85 2aeg h ASN 228 Ca -0.53 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 2aeg h ASN 228 Cb 1.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.69 2aeg h ASN 228 CO 0.43 0.25 0.00 -0.90 -1.65 0.00 0.00 177.43 175.56 2aeg n ASP 229 N -3.81 4.32 0.03 5.81 5.68 -1.26 -4.48 116.55 122.84 2aeg n ASP 229 Ca -0.02 -2.82 -0.20 0.00 -0.50 0.00 0.00 54.79 51.26 2aeg n ASP 229 Cb 0.34 -0.55 -0.10 0.00 -1.14 0.00 0.00 41.12 39.68 2aeg n ASP 229 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2aeg h ALA 230 N 2.62 0.14 -1.15 2.12 0.00 -1.88 -3.47 119.26 117.64 2aeg h ALA 230 Ca 0.00 -0.68 -0.50 0.00 0.00 0.00 0.00 54.91 53.73 2aeg h ALA 230 Cb 1.49 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 2aeg h ALA 230 CO 0.26 0.66 -0.29 -0.51 0.00 0.00 0.00 179.25 179.37 2aeg s LEU 231 N -8.16 3.21 0.04 0.00 1.43 -1.26 -4.67 118.68 109.27 2aeg s LEU 231 Ca -0.10 -0.84 -0.01 0.00 -1.03 0.00 0.00 54.13 52.16 2aeg s LEU 231 Cb 0.07 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 2aeg s LEU 231 CO 0.91 -0.91 -0.03 -0.63 0.23 0.00 0.00 176.35 175.93 2aeg s ILE 232 N -2.56 0.17 -0.56 -0.59 -1.09 -0.17 -4.98 121.20 111.42 2aeg s ILE 232 Ca 0.49 -1.42 -0.18 0.00 -2.23 0.00 0.00 60.65 57.30 2aeg s ILE 232 Cb -0.04 -0.99 0.10 0.00 -1.58 0.00 0.00 42.46 39.95 2aeg s ILE 232 CO 0.29 -0.78 0.63 -0.63 -1.23 0.00 0.00 174.94 173.22 2aeg s ILE 233 N -2.88 4.92 0.21 2.92 1.01 -1.26 -1.86 121.20 124.26 2aeg s ILE 233 Ca -0.03 -0.98 0.08 0.00 0.00 0.00 0.00 60.65 59.72 2aeg s ILE 233 Cb 0.00 -4.40 -0.10 0.00 0.01 0.00 0.00 42.46 37.97 2aeg s ILE 233 CO -0.06 -0.98 1.48 -0.07 0.00 0.00 0.00 174.94 175.30 2aeg h LEU 234 N 9.66 0.06 -7.10 2.97 3.38 -1.24 -3.48 115.31 119.56 2aeg h LEU 234 Ca -0.29 -0.04 0.29 0.00 0.09 0.00 0.00 57.88 57.92 2aeg h LEU 234 Cb 1.09 -0.02 -0.16 0.00 0.09 0.00 0.00 40.66 41.66 2aeg h LEU 234 CO 1.05 0.80 0.83 -0.94 0.09 0.00 0.00 178.44 180.27 2aeg s SER 235 N -6.83 -0.10 -0.29 -0.43 1.04 -1.21 -5.01 113.70 100.88 2aeg s SER 235 Ca -0.01 -0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.38 2aeg s SER 235 Cb 0.11 0.14 0.08 0.00 0.10 0.00 0.00 66.02 66.46 2aeg s SER 235 CO 0.79 -0.25 -0.00 -0.13 0.98 0.00 0.00 173.24 174.63 2aeg s ARG 236 N -2.40 1.52 0.22 4.02 0.52 -1.26 -0.07 118.95 121.50 2aeg s ARG 236 Ca 0.12 -1.39 0.09 0.00 -0.52 0.00 0.00 55.73 54.03 2aeg s ARG 236 Cb 0.02 -2.77 -0.04 0.00 0.52 0.00 0.00 34.95 32.68 2aeg s ARG 236 CO -0.04 -0.78 -0.02 -1.21 0.02 0.00 0.00 175.30 173.27 2aeg s GLU 237 N 1.20 2.29 0.81 3.54 2.02 -0.88 -4.96 118.70 122.72 2aeg s GLU 237 Ca 0.02 -1.29 -0.11 0.00 0.02 0.00 0.00 54.97 53.60 2aeg s GLU 237 Cb -0.19 -2.22 0.08 0.00 0.10 0.00 0.00 34.13 31.90 2aeg s GLU 237 CO -0.10 0.40 1.09 -1.25 0.02 0.00 0.00 175.26 175.43 2aeg s PRO 238 N -3.30 1.97 0.08 0.39 0.04 -1.26 -1.43 135.00 131.48 2aeg s PRO 238 Ca 0.29 0.70 -0.31 0.00 0.04 0.00 0.00 61.00 61.73 2aeg s PRO 238 Cb -0.08 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 2aeg s PRO 238 CO 0.19 -1.72 1.73 -0.47 0.04 0.00 0.00 177.00 176.76 2aeg s TYR 239 N -3.10 2.24 0.00 0.56 6.14 -1.26 -1.93 117.35 120.00 2aeg s TYR 239 Ca 0.61 0.16 0.00 0.00 0.64 0.00 0.00 57.07 58.48 2aeg s TYR 239 Cb -0.15 -4.04 0.00 0.00 0.42 0.00 0.00 41.96 38.18 2aeg s TYR 239 CO 0.55 -4.27 0.00 0.41 0.64 0.00 0.00 175.55 172.87 2aeg n GLY 240 N 4.11 2.37 3.71 8.97 0.00 -1.26 -5.04 105.19 118.05 2aeg n GLY 240 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2aeg n GLY 240 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2aeg n SER 241 N 0.00 3.66 -4.05 1.61 2.88 -0.81 -4.99 113.62 111.92 2aeg n SER 241 Ca 0.00 1.10 -0.11 0.00 -1.33 0.00 0.00 58.87 58.53 2aeg n SER 241 Cb 0.00 -1.54 -0.11 0.00 -0.75 0.00 0.00 64.21 61.81 2aeg n SER 241 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2aeg s SER 242 N 0.85 0.68 0.00 -3.46 0.15 -1.26 -5.02 113.70 105.64 2aeg s SER 242 Ca 0.72 -0.63 0.23 0.00 0.70 0.00 0.00 55.95 56.97 2aeg s SER 242 Cb -0.55 0.08 0.01 0.00 -1.71 0.00 0.00 66.02 63.84 2aeg s SER 242 CO 0.39 -0.30 1.08 2.30 1.20 0.00 0.00 173.24 177.92 2aeg n ILE 243 N 1.20 0.00 -0.57 6.45 -5.35 -1.26 -5.20 119.36 114.64 2aeg n ILE 243 Ca -0.21 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 2aeg n ILE 243 Cb 0.56 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.53 2aeg n ILE 243 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34