#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 1.45 -3.60 0.00 4.13 -1.26 -4.72 115.26 111.25 2aeg n ASN 3 Ca 0.00 -2.90 -0.03 0.00 1.68 0.00 0.00 54.58 53.33 2aeg n ASN 3 Cb 0.00 -0.39 -0.06 0.00 -1.54 0.00 0.00 39.78 37.80 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 -1.88 -0.79 0.33 3.41 2.96 -1.26 -4.20 118.68 117.25 2aeg s LEU 4 Ca 0.27 1.18 -0.13 0.00 -0.22 0.00 0.00 54.13 55.24 2aeg s LEU 4 Cb 0.26 2.04 0.02 0.00 0.50 0.00 0.00 46.19 49.02 2aeg s LEU 4 CO -0.04 -0.18 0.63 -0.72 -1.32 0.00 0.00 176.35 174.72 2aeg s TYR 5 N 1.97 0.36 0.00 5.38 1.13 -1.26 -0.84 117.35 124.09 2aeg s TYR 5 Ca -0.07 -0.82 0.00 0.00 -1.41 0.00 0.00 57.07 54.76 2aeg s TYR 5 Cb -0.06 0.43 0.00 0.00 -1.10 0.00 0.00 41.96 41.23 2aeg s TYR 5 CO -0.18 -1.27 0.00 0.54 -2.51 0.00 0.00 175.55 172.13 2aeg n ARG 6 N -0.49 1.43 0.00 -3.49 1.74 0.17 -4.42 116.66 111.60 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 0.61 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.05 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 -2.89 5.56 1.02 -1.26 -1.24 120.64 121.83 2aeg n GLU 8 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 2aeg n GLU 8 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 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 6.31 0.06 1.62 3.68 -1.26 -4.93 116.67 122.16 2aeg s ASP 9 Ca 0.00 -0.47 -0.32 0.00 2.13 0.00 0.00 52.55 53.89 2aeg s ASP 9 Cb 0.00 -2.41 -0.16 0.00 -1.45 0.00 0.00 42.92 38.89 2aeg s ASP 9 CO 0.00 -1.19 1.49 0.11 0.13 0.00 0.00 175.17 175.71 2aeg h LYS 10 N 9.27 -0.98 -3.08 4.34 6.56 -2.03 -3.34 116.57 127.32 2aeg h LYS 10 Ca -0.26 0.07 -0.80 0.00 -1.06 0.00 0.00 60.65 58.59 2aeg h LYS 10 Cb 1.08 0.22 -0.27 0.00 -0.57 0.00 0.00 32.23 32.69 2aeg h LYS 10 CO 1.07 -0.65 0.86 -3.47 -2.06 0.00 0.00 179.45 175.20 2aeg n ASP 11 N -5.15 6.18 -0.10 0.86 4.64 -1.26 -4.72 116.55 117.01 2aeg n ASP 11 Ca -0.12 -3.33 -0.15 0.00 -1.38 0.00 0.00 54.79 49.80 2aeg n ASP 11 Cb 0.43 -1.31 -0.09 0.00 -1.04 0.00 0.00 41.12 39.11 2aeg n ASP 11 CO 0.00 0.00 0.00 -2.67 -0.82 0.00 0.00 177.20 173.71 2aeg n TRP 12 N 1.78 0.00 -0.30 -0.67 4.27 -1.25 -4.52 117.44 116.75 2aeg n TRP 12 Ca 0.27 0.00 0.18 0.00 -3.89 0.00 0.00 57.50 54.06 2aeg n TRP 12 Cb 0.34 -0.78 0.46 0.00 -1.36 0.00 0.00 31.31 29.96 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 -0.07 0.65 -0.63 -1.67 2.07 -1.90 -1.07 116.25 113.63 2aeg h VAL 13 Ca -0.46 -0.17 0.16 0.00 0.82 0.00 0.00 66.70 67.04 2aeg h VAL 13 Cb 1.69 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2aeg h VAL 13 CO -0.09 0.09 0.44 -1.28 0.02 0.00 0.00 177.57 176.75 2aeg h SER 14 N 0.51 0.13 -0.02 0.57 0.87 -1.91 -1.84 113.55 111.86 2aeg h SER 14 Ca 0.53 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 2aeg h SER 14 Cb 1.18 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2aeg h SER 14 CO -0.26 0.07 0.00 2.29 -0.53 0.00 0.00 176.83 178.39 2aeg n LYS 15 N -4.40 1.47 0.00 2.24 2.85 -0.44 -4.51 118.16 115.36 2aeg n LYS 15 Ca 0.12 -1.16 0.00 0.00 -1.05 0.00 0.00 58.31 56.22 2aeg n LYS 15 Cb 0.60 -1.02 0.00 0.00 -0.65 0.00 0.00 35.03 33.96 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 -0.22 0.00 -2.06 5.58 7.02 -0.98 -4.87 117.44 121.91 2aeg n TRP 16 Ca 0.01 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.51 2aeg n TRP 16 Cb 0.17 0.00 0.11 0.00 -2.42 0.00 0.00 31.31 29.17 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 -0.99 3.22 -0.25 6.99 0.00 -0.76 -4.83 120.51 123.90 2aeg n ALA 17 Ca 0.00 -2.95 -0.07 0.00 0.00 0.00 0.00 53.44 50.42 2aeg n ALA 17 Cb 0.16 -0.53 0.04 0.00 0.00 0.00 0.00 19.45 19.13 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 1.21 1.03 -0.22 0.00 4.15 -1.61 -2.09 115.11 117.57 2aeg h GLN 18 Ca -0.06 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.16 2aeg h GLN 18 Cb 1.40 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.93 2aeg h GLN 18 CO 0.11 0.86 0.00 -0.40 -1.93 0.00 0.00 178.83 177.47 2aeg n ASP 19 N -4.38 1.04 -4.99 -0.69 3.85 -1.26 -4.87 116.55 105.25 2aeg n ASP 19 Ca 0.05 -2.01 -0.19 0.00 -0.71 0.00 0.00 54.79 51.93 2aeg n ASP 19 Cb 0.18 -0.15 0.02 0.00 -1.35 0.00 0.00 41.12 39.82 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 -1.74 4.27 -0.78 2.12 0.00 -0.79 -4.61 121.76 120.23 2aeg s ALA 20 Ca 0.12 -1.51 -0.17 0.00 0.00 0.00 0.00 51.96 50.41 2aeg s ALA 20 Cb 0.07 -1.79 0.16 0.00 0.00 0.00 0.00 23.12 21.55 2aeg s ALA 20 CO 0.08 -0.38 0.85 -2.00 0.00 0.00 0.00 175.76 174.30 2aeg s GLU 21 N -4.45 3.43 -1.17 0.00 2.12 0.49 -4.84 118.70 114.27 2aeg s GLU 21 Ca 0.54 -1.91 -0.21 0.00 0.36 0.00 0.00 54.97 53.74 2aeg s GLU 21 Cb -0.10 -4.53 -0.01 0.00 0.26 0.00 0.00 34.13 29.75 2aeg s GLU 21 CO 0.35 -1.51 1.81 0.45 -0.54 0.00 0.00 175.26 175.82 2aeg s SER 22 N 3.06 5.83 -0.75 -1.70 0.15 -1.26 -2.02 113.70 117.01 2aeg s SER 22 Ca 0.20 -1.78 0.02 0.00 0.70 0.00 0.00 55.95 55.09 2aeg s SER 22 Cb -0.13 -2.58 0.34 0.00 -1.71 0.00 0.00 66.02 61.94 2aeg s SER 22 CO -0.05 -2.21 1.35 0.00 1.20 0.00 0.00 173.24 173.54 2aeg n LEU 23 N 11.66 5.74 -3.62 3.45 -0.00 -1.15 -5.00 117.00 128.09 2aeg n LEU 23 Ca 0.44 -5.49 -0.10 0.00 -0.00 0.00 0.00 56.01 50.86 2aeg n LEU 23 Cb 0.47 -0.80 -0.04 0.00 -0.00 0.00 0.00 43.42 43.05 2aeg n LEU 23 CO 0.70 2.20 0.27 0.27 -0.00 0.00 0.00 177.39 180.82 2aeg s ILE 24 N -4.55 0.04 -1.17 1.47 -4.36 -1.26 -4.89 121.20 106.47 2aeg s ILE 24 Ca 0.45 -0.50 -0.15 0.00 -0.26 0.00 0.00 60.65 60.19 2aeg s ILE 24 Cb 0.27 -1.27 0.15 0.00 1.25 0.00 0.00 42.46 42.85 2aeg s ILE 24 CO -0.16 -0.16 1.43 0.20 0.24 0.00 0.00 174.94 176.49 2aeg s ASN 25 N -2.82 6.96 0.65 4.36 -0.87 -1.26 -5.10 114.94 116.86 2aeg s ASN 25 Ca 0.05 -2.74 0.00 0.00 -1.57 0.00 0.00 52.86 48.59 2aeg s ASN 25 Cb 0.00 -2.43 0.00 0.00 -0.02 0.00 0.00 41.25 38.80 2aeg s ASN 25 CO -0.09 -0.87 0.00 -0.11 -2.57 0.00 0.00 177.10 173.46 2aeg n LEU 26 N 6.24 0.00 -0.05 0.60 7.94 -1.26 -5.10 117.00 125.36 2aeg n LEU 26 Ca 0.36 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 55.23 2aeg n LEU 26 Cb 0.44 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.29 2aeg n LEU 26 CO 0.63 -1.15 -0.88 -0.81 -1.11 0.00 0.00 177.39 174.07 2aeg n PRO 28 N -1.29 1.56 -3.82 1.96 -0.04 -1.26 -5.22 135.00 126.88 2aeg n PRO 28 Ca 0.00 -0.03 -0.11 0.00 -0.04 0.00 0.00 63.50 63.32 2aeg n PRO 28 Cb 0.00 -1.34 -0.08 0.00 -0.04 0.00 0.00 33.50 32.04 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 -2.45 -0.46 -0.01 0.55 0.00 -1.26 -4.33 121.76 113.80 2aeg s ALA 29 Ca -0.06 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 51.73 2aeg s ALA 29 Cb 0.05 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.45 2aeg s ALA 29 CO 0.55 -0.36 -0.03 0.71 0.00 0.00 0.00 175.76 176.63 2aeg s TYR 30 N -2.45 0.30 0.08 0.00 2.02 -1.26 -5.00 117.35 111.05 2aeg s TYR 30 Ca -0.06 -0.05 0.08 0.00 -0.37 0.00 0.00 57.07 56.67 2aeg s TYR 30 Cb -0.02 -0.23 -0.03 0.00 -0.40 0.00 0.00 41.96 41.28 2aeg s TYR 30 CO -0.03 -0.03 -0.20 -1.14 -1.57 0.00 0.00 175.55 172.58 2aeg s GLN 31 N 0.14 1.16 0.00 -0.62 0.74 -1.26 -4.30 119.66 115.52 2aeg s GLN 31 Ca -0.01 -1.06 0.00 0.00 0.05 0.00 0.00 55.36 54.34 2aeg s GLN 31 Cb -0.04 -1.35 0.00 0.00 1.10 0.00 0.00 33.01 32.72 2aeg s GLN 31 CO -0.00 0.32 0.00 0.09 -0.55 0.00 0.00 175.29 175.15 2aeg n ASN 33 N 1.37 0.00 -4.58 6.67 3.02 -1.26 -4.97 115.26 115.50 2aeg n ASN 33 Ca -0.19 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 53.91 2aeg n ASN 33 Cb 0.54 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.69 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 -0.59 1.29 -1.02 3.52 -0.02 -1.26 -2.36 135.00 134.56 2aeg n PRO 34 Ca 0.00 0.45 -0.01 0.00 -2.02 0.00 0.00 63.50 61.92 2aeg n PRO 34 Cb 0.00 -1.83 -0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 1.37 -5.06 0.00 2.55 2.03 0.88 -4.96 116.55 113.35 2aeg n ASP 35 Ca 0.11 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.43 2aeg n ASP 35 Cb 0.31 -2.63 0.00 0.00 -0.72 0.00 0.00 41.12 38.08 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 -0.35 0.00 0.00 -0.67 6.02 -1.00 -4.58 117.38 116.80 2aeg n GLN 36 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2aeg n GLN 36 Cb 0.35 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.61 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 4.94 2.12 3.74 1.08 0.00 -0.14 -1.13 105.19 115.80 2aeg n GLY 38 Ca 0.00 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 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 4.58 0.04 1.61 0.04 -1.26 -1.69 135.00 136.31 2aeg s PRO 39 Ca 0.00 1.74 -0.09 0.00 0.04 0.00 0.00 61.00 62.69 2aeg s PRO 39 Cb 0.00 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2aeg s PRO 39 CO 0.00 0.05 0.18 0.96 0.04 0.00 0.00 177.00 178.23 2aeg s ILE 40 N -0.20 0.11 -0.33 0.56 -4.36 -0.31 -4.26 121.20 112.42 2aeg s ILE 40 Ca 0.50 -0.92 -0.05 0.00 -0.26 0.00 0.00 60.65 59.93 2aeg s ILE 40 Cb -0.30 -0.89 0.05 0.00 1.25 0.00 0.00 42.46 42.57 2aeg s ILE 40 CO 0.35 -0.51 0.07 -0.69 0.24 0.00 0.00 174.94 174.40 2aeg s VAL 41 N -2.52 3.46 0.27 8.37 1.01 -0.69 -1.84 120.40 128.47 2aeg s VAL 41 Ca -0.05 -1.26 0.08 0.00 0.00 0.00 0.00 61.98 60.75 2aeg s VAL 41 Cb -0.01 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2aeg s VAL 41 CO -0.04 -0.17 0.10 0.00 0.00 0.00 0.00 175.10 174.99 2aeg s ARG 42 N 1.34 2.56 0.20 2.72 1.70 -0.27 -0.07 118.95 127.13 2aeg s ARG 42 Ca -0.03 -1.29 -0.04 0.00 -0.47 0.00 0.00 55.73 53.90 2aeg s ARG 42 Cb -0.20 -2.33 -0.05 0.00 -0.57 0.00 0.00 34.95 31.80 2aeg s ARG 42 CO 0.01 0.35 0.44 -0.80 -1.08 0.00 0.00 175.30 174.22 2aeg s ASN 43 N -3.77 6.47 0.25 -2.89 0.01 -0.87 -1.08 114.94 113.08 2aeg s ASN 43 Ca 0.33 0.62 0.09 0.00 -0.71 0.00 0.00 52.86 53.18 2aeg s ASN 43 Cb -0.07 -2.10 -0.04 0.00 0.41 0.00 0.00 41.25 39.45 2aeg s ASN 43 CO 0.22 -0.04 0.04 -0.89 -1.51 0.00 0.00 177.10 174.92 2aeg s THR 44 N -1.82 3.71 0.58 1.60 2.01 -0.77 -4.64 115.64 116.31 2aeg s THR 44 Ca 0.42 -1.75 0.28 0.00 0.31 0.00 0.00 61.69 60.95 2aeg s THR 44 Cb -0.11 -2.98 0.36 0.00 0.01 0.00 0.00 72.50 69.77 2aeg s THR 44 CO 0.26 -0.34 2.10 0.00 -0.69 0.00 0.00 174.62 175.95 2aeg h ALA 45 N 1.87 1.84 -0.10 7.40 0.00 -1.91 0.14 119.26 128.49 2aeg h ALA 45 Ca -0.45 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.27 2aeg h ALA 45 Cb 1.24 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2aeg h ALA 45 CO 0.60 -0.29 -0.70 -0.44 0.00 0.00 0.00 179.25 178.43 2aeg h ASP 46 N 0.00 0.54 0.00 0.00 3.45 -1.98 -3.48 116.42 114.95 2aeg h ASP 46 Ca 0.09 -0.34 0.00 0.00 0.43 0.00 0.00 57.03 57.21 2aeg h ASP 46 Cb 0.47 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 2aeg h ASP 46 CO -0.00 1.07 0.00 0.61 -1.57 0.00 0.00 179.24 179.35 2aeg n GLY 47 N 0.50 1.47 2.54 2.75 0.00 0.48 -5.12 105.19 107.81 2aeg n GLY 47 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 2aeg n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2aeg n LYS 48 N 0.00 -2.43 -5.19 1.61 5.02 -1.26 -4.61 118.16 111.30 2aeg n LYS 48 Ca 0.00 -1.27 -0.32 0.00 -2.02 0.00 0.00 58.31 54.70 2aeg n LYS 48 Cb 0.00 -1.16 -0.17 0.00 -0.02 0.00 0.00 35.03 33.68 2aeg n LYS 48 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2aeg s LYS 49 N -4.81 3.07 -0.09 1.97 1.02 -1.26 -1.84 119.74 117.80 2aeg s LYS 49 Ca 0.51 -0.87 0.03 0.00 0.02 0.00 0.00 55.97 55.67 2aeg s LYS 49 Cb -0.05 -2.32 -0.01 0.00 -0.52 0.00 0.00 37.83 34.93 2aeg s LYS 49 CO 0.39 0.18 -0.20 -0.65 -0.92 0.00 0.00 175.35 174.15 2aeg s GLN 50 N 0.34 2.94 -0.40 1.68 -0.21 -0.24 -0.38 119.66 123.39 2aeg s GLN 50 Ca -0.18 -0.81 -0.13 0.00 0.02 0.00 0.00 55.36 54.26 2aeg s GLN 50 Cb -0.18 -2.36 0.03 0.00 1.00 0.00 0.00 33.01 31.50 2aeg s GLN 50 CO 0.09 0.30 0.27 -1.17 -2.12 0.00 0.00 175.29 172.65 2aeg s LEU 51 N 0.08 5.01 0.28 2.90 0.20 -0.86 -1.12 118.68 125.17 2aeg s LEU 51 Ca -0.09 -1.03 -0.02 0.00 0.69 0.00 0.00 54.13 53.68 2aeg s LEU 51 Cb -0.15 -2.09 -0.02 0.00 -0.43 0.00 0.00 46.19 43.50 2aeg s LEU 51 CO 0.06 -0.45 0.33 0.68 -0.29 0.00 0.00 176.35 176.68 2aeg s VAL 52 N 1.60 0.00 0.10 1.68 -7.23 -0.77 -2.95 120.40 112.83 2aeg s VAL 52 Ca 0.03 -1.77 -0.08 0.00 -1.81 0.00 0.00 61.98 58.36 2aeg s VAL 52 Cb -0.20 -2.49 -0.06 0.00 0.56 0.00 0.00 36.38 34.19 2aeg s VAL 52 CO 0.08 0.00 0.38 -1.00 -0.31 0.00 0.00 175.10 174.25 2aeg s HIS 53 N -3.63 3.54 0.06 2.82 3.76 -1.26 -1.16 115.29 119.42 2aeg s HIS 53 Ca 0.34 0.68 -0.08 0.00 -0.15 0.00 0.00 55.06 55.86 2aeg s HIS 53 Cb 0.02 -2.09 -0.01 0.00 1.11 0.00 0.00 32.58 31.62 2aeg s HIS 53 CO 0.17 0.49 0.15 0.00 -0.85 0.00 0.00 174.74 174.71 2aeg s ALA 54 N -1.49 -0.16 -0.14 -1.40 0.00 -0.68 -4.88 121.76 113.01 2aeg s ALA 54 Ca 0.35 -0.57 -0.28 0.00 0.00 0.00 0.00 51.96 51.46 2aeg s ALA 54 Cb -0.13 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 2aeg s ALA 54 CO 0.20 -0.42 0.97 0.50 0.00 0.00 0.00 175.76 177.01 2aeg s ARG 55 N -3.27 4.37 -0.61 0.00 3.52 0.14 -0.96 118.95 122.14 2aeg s ARG 55 Ca 0.01 1.30 -0.27 0.00 -0.13 0.00 0.00 55.73 56.63 2aeg s ARG 55 Cb 0.02 -3.56 0.00 0.00 -1.56 0.00 0.00 34.95 29.85 2aeg s ARG 55 CO -0.08 -0.36 1.60 -0.46 -0.81 0.00 0.00 175.30 175.20 2aeg s TRP 56 N 2.20 1.98 0.00 5.12 -0.00 -0.28 -1.29 118.94 126.66 2aeg s TRP 56 Ca 0.45 0.50 0.00 0.00 -0.00 0.00 0.00 56.10 57.06 2aeg s TRP 56 Cb -0.17 -4.30 0.00 0.00 -0.00 0.00 0.00 33.47 29.00 2aeg s TRP 56 CO 0.15 -2.21 0.00 0.41 -0.00 0.00 0.00 176.95 175.30 2aeg n GLY 57 N 5.49 1.68 3.75 5.86 0.00 0.11 -0.09 105.19 121.99 2aeg n GLY 57 Ca 0.14 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 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 2.54 0.38 0.99 1.43 0.28 -4.22 118.68 120.08 2aeg s LEU 58 Ca 0.00 1.54 -0.28 0.00 -1.03 0.00 0.00 54.13 54.36 2aeg s LEU 58 Cb 0.00 -4.08 -0.10 0.00 0.03 0.00 0.00 46.19 42.04 2aeg s LEU 58 CO 0.00 -2.32 1.44 -2.84 0.23 0.00 0.00 176.35 172.86 2aeg s PRO 59 N -4.97 4.07 0.59 1.29 0.02 -1.26 0.34 135.00 135.08 2aeg s PRO 59 Ca 0.62 2.47 -0.16 0.00 0.02 0.00 0.00 61.00 63.95 2aeg s PRO 59 Cb -0.17 -2.92 -0.04 0.00 0.02 0.00 0.00 34.50 31.39 2aeg s PRO 59 CO 0.56 -0.53 1.06 -1.12 -0.33 0.00 0.00 177.00 176.64 2aeg s SER 60 N -0.29 5.78 0.17 2.53 0.01 -1.26 -4.70 113.70 115.95 2aeg s SER 60 Ca 0.54 1.82 -0.33 0.00 1.31 0.00 0.00 55.95 59.29 2aeg s SER 60 Cb -0.45 -2.53 -0.14 0.00 0.21 0.00 0.00 66.02 63.11 2aeg s SER 60 CO 0.60 -1.17 1.47 -2.65 0.41 0.00 0.00 173.24 171.90 2aeg n PRO 61 N -2.02 1.91 -0.44 12.44 -0.02 -1.26 -4.80 135.00 140.81 2aeg n PRO 61 Ca 0.09 0.68 0.41 0.00 -2.02 0.00 0.00 63.50 62.66 2aeg n PRO 61 Cb 0.53 -2.39 0.77 0.00 -0.02 0.00 0.00 33.50 32.39 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 3.35 0.25 0.14 4.25 3.07 -1.99 0.46 117.51 127.04 2aeg h ILE 62 Ca -0.45 0.00 -0.31 0.00 1.55 0.00 0.00 64.86 65.65 2aeg h ILE 62 Cb 1.28 0.26 -0.00 0.00 -0.27 0.00 0.00 36.82 38.08 2aeg h ILE 62 CO 0.82 0.00 -1.52 -0.26 -1.05 0.00 0.00 178.15 176.14 2aeg h PHE 63 N 0.00 0.53 0.00 0.16 0.04 -2.00 -3.03 116.94 112.64 2aeg h PHE 63 Ca 0.68 -0.39 -0.02 0.00 2.80 0.00 0.00 57.97 61.05 2aeg h PHE 63 Cb 2.80 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 40.92 2aeg h PHE 63 CO 0.00 1.42 -0.09 0.28 -0.60 0.00 0.00 178.31 179.31 2aeg h VAL 64 N 0.08 0.64 0.00 -0.55 2.07 -0.46 -0.91 116.25 117.12 2aeg h VAL 64 Ca -0.24 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 2aeg h VAL 64 Cb 2.03 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.04 2aeg h VAL 64 CO 0.18 0.09 -0.56 1.56 0.02 0.00 0.00 177.57 178.86 2aeg h GLN 65 N 0.00 0.00 0.08 1.57 1.08 -1.35 -3.29 115.11 113.21 2aeg h GLN 65 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2aeg h GLN 65 Cb 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 2aeg h GLN 65 CO 0.01 0.23 -0.04 0.87 -0.95 0.00 0.00 178.83 178.95 2aeg h LYS 66 N 0.00 -0.11 -0.71 1.46 1.57 -1.06 -2.31 116.57 115.41 2aeg h LYS 66 Ca -0.03 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.88 2aeg h LYS 66 Cb 1.23 0.02 -0.13 0.00 0.08 0.00 0.00 32.23 33.44 2aeg h LYS 66 CO 0.03 0.42 -0.35 -0.22 -0.57 0.00 0.00 179.45 178.76 2aeg h LYS 67 N -0.89 -0.11 -0.56 3.15 3.64 -1.50 0.80 116.57 121.10 2aeg h LYS 67 Ca -0.01 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 2aeg h LYS 67 Cb 0.58 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 2aeg h LYS 67 CO 0.02 -0.07 0.01 0.00 -2.27 0.00 0.00 179.45 177.13 2aeg h ALA 68 N 1.10 0.76 0.29 5.00 0.00 -1.68 0.20 119.26 124.93 2aeg h ALA 68 Ca 0.26 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2aeg h ALA 68 Cb 0.56 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2aeg h ALA 68 CO -0.77 0.59 -0.14 0.00 0.00 0.00 0.00 179.25 178.92 2aeg h ALA 69 N 0.97 -0.39 -0.16 0.00 0.00 -0.32 -1.23 119.26 118.12 2aeg h ALA 69 Ca 0.16 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 2aeg h ALA 69 Cb 0.54 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2aeg h ALA 69 CO 0.03 -0.72 -0.63 0.93 0.00 0.00 0.00 179.25 178.86 2aeg h GLU 70 N -0.40 0.59 0.00 0.00 5.08 0.51 -2.39 114.58 117.97 2aeg h GLU 70 Ca -0.04 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 2aeg h GLU 70 Cb 0.31 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2aeg h GLU 70 CO 0.07 1.04 -0.04 0.00 -1.00 0.00 0.00 179.01 179.07 2aeg h ALA 71 N 0.86 1.46 0.13 3.43 0.00 -0.53 -1.42 119.26 123.20 2aeg h ALA 71 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2aeg h ALA 71 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2aeg h ALA 71 CO 0.12 0.05 -0.06 -0.09 0.00 0.00 0.00 179.25 179.26 2aeg h ARG 72 N 0.00 -0.17 -1.07 0.00 2.43 -0.73 -3.15 114.38 111.69 2aeg h ARG 72 Ca -0.00 0.01 0.29 0.00 -0.81 0.00 0.00 59.98 59.47 2aeg h ARG 72 Cb 0.10 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 29.60 2aeg h ARG 72 CO 0.01 0.27 0.69 0.00 -1.51 0.00 0.00 179.97 179.42 2aeg h ALA 73 N 0.01 2.32 -0.21 2.80 0.00 -0.88 0.56 119.26 123.86 2aeg h ALA 73 Ca -0.02 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2aeg h ALA 73 Cb 0.52 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2aeg h ALA 73 CO 0.03 -0.74 0.20 -0.44 0.00 0.00 0.00 179.25 178.30 2aeg h ASP 74 N 0.34 0.00 0.51 0.00 3.32 -1.40 0.50 116.42 119.70 2aeg h ASP 74 Ca 0.61 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.66 2aeg h ASP 74 Cb 1.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.19 2aeg h ASP 74 CO -0.30 0.00 -0.71 2.29 -1.72 0.00 0.00 179.24 178.80 2aeg n LYS 75 N -3.96 0.13 0.03 3.56 2.85 0.19 -2.52 118.16 118.45 2aeg n LYS 75 Ca 0.02 0.02 -0.22 0.00 -1.05 0.00 0.00 58.31 57.08 2aeg n LYS 75 Cb 0.33 -1.56 -0.14 0.00 -0.65 0.00 0.00 35.03 33.01 2aeg n LYS 75 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 2aeg h LEU 76 N 0.00 0.50 0.04 -5.58 4.07 0.09 -3.37 115.31 111.05 2aeg h LEU 76 Ca 0.00 -0.95 -0.24 0.00 0.08 0.00 0.00 57.88 56.76 2aeg h LEU 76 Cb 0.61 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.16 2aeg h LEU 76 CO 0.00 1.83 -1.19 0.50 -1.08 0.00 0.00 178.44 178.50 2aeg h LYS 77 N 0.08 0.09 -1.97 1.13 3.64 -0.85 -2.80 116.57 115.90 2aeg h LYS 77 Ca -0.39 -0.15 -0.28 0.00 -1.27 0.00 0.00 60.65 58.56 2aeg h LYS 77 Cb 2.06 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 33.84 2aeg h LYS 77 CO 0.13 1.01 -0.05 0.00 -2.27 0.00 0.00 179.45 178.26 2aeg n ALA 78 N -2.45 6.08 -1.66 5.00 0.00 -1.05 -2.97 120.51 123.47 2aeg n ALA 78 Ca -0.06 -2.02 -0.02 0.00 0.00 0.00 0.00 53.44 51.34 2aeg n ALA 78 Cb 0.98 -2.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 2aeg n ALA 78 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2aeg n LYS 79 N 1.75 0.00 -3.39 0.00 4.81 -1.24 -4.88 118.16 115.20 2aeg n LYS 79 Ca 0.40 -0.33 -0.19 0.00 -0.87 0.00 0.00 58.31 57.32 2aeg n LYS 79 Cb 0.74 0.49 0.05 0.00 0.02 0.00 0.00 35.03 36.32 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 0.00 -1.13 3.60 3.14 0.00 -1.16 -5.02 105.19 104.62 2aeg n GLY 80 Ca -0.09 0.53 -0.13 0.00 0.00 0.00 0.00 46.02 46.33 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 -4.74 0.74 0.00 1.61 -0.14 -1.05 -5.04 119.74 111.12 2aeg s LYS 81 Ca 0.37 0.54 0.00 0.00 -1.36 0.00 0.00 55.97 55.52 2aeg s LYS 81 Cb -0.09 0.36 0.00 0.00 -1.68 0.00 0.00 37.83 36.42 2aeg s LYS 81 CO 0.79 -0.16 0.00 0.00 -0.76 0.00 0.00 175.35 175.22 2aeg n ALA 82 N 1.76 0.00 -3.00 5.17 0.00 -1.26 -3.03 120.51 120.14 2aeg n ALA 82 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2aeg n ALA 82 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2aeg n ALA 82 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2aeg n PHE 83 N -1.22 -0.01 -3.06 0.00 -1.74 -1.26 -4.80 117.46 105.38 2aeg n PHE 83 Ca 0.00 0.00 -0.06 0.00 -0.56 0.00 0.00 57.45 56.83 2aeg n PHE 83 Cb 0.00 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 40.98 2aeg n PHE 83 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2aeg s ASP 84 N 1.88 -0.92 0.36 5.98 3.68 -1.26 -5.03 116.67 121.36 2aeg s ASP 84 Ca 0.00 -1.46 0.25 0.00 2.13 0.00 0.00 52.55 53.47 2aeg s ASP 84 Cb 0.00 1.57 1.24 0.00 -1.45 0.00 0.00 42.92 44.28 2aeg s ASP 84 CO 0.00 -0.13 1.32 0.00 0.13 0.00 0.00 175.17 176.49 2aeg n ILE 85 N 3.65 -0.24 0.44 4.11 0.00 -1.26 -0.12 119.36 125.94 2aeg n ILE 85 Ca 0.15 1.56 -0.18 0.00 0.00 0.00 0.00 62.75 64.29 2aeg n ILE 85 Cb 0.54 -2.56 -0.09 0.00 0.00 0.00 0.00 39.64 37.54 2aeg n ILE 85 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2aeg h ASN 86 N 0.00 -1.05 0.14 9.51 2.35 -2.00 0.33 115.58 124.85 2aeg h ASN 86 Ca 0.74 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 56.53 2aeg h ASN 86 Cb 2.30 0.29 -0.00 0.00 0.05 0.00 0.00 38.32 40.95 2aeg h ASN 86 CO -0.45 -0.70 -0.04 -0.08 -1.65 0.00 0.00 177.43 174.51 2aeg h GLU 87 N -1.15 0.00 -0.44 0.81 4.57 -0.95 -1.88 114.58 115.54 2aeg h GLU 87 Ca -0.11 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 57.97 2aeg h GLU 87 Cb 0.90 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 2aeg h GLU 87 CO 0.16 0.04 -0.13 1.25 -1.18 0.00 0.00 179.01 179.15 2aeg h LEU 88 N 0.00 0.87 0.08 1.64 5.85 -0.13 -3.22 115.31 120.40 2aeg h LEU 88 Ca -0.00 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 2aeg h LEU 88 Cb 0.12 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.91 2aeg h LEU 88 CO 0.01 1.04 -0.04 0.40 -0.34 0.00 0.00 178.44 179.50 2aeg h ILE 89 N 0.68 1.16 0.00 4.05 2.04 -0.16 -0.66 117.51 124.63 2aeg h ILE 89 Ca 0.11 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.97 2aeg h ILE 89 Cb 0.67 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2aeg h ILE 89 CO 0.05 0.24 0.00 -1.14 0.00 0.00 0.00 178.15 177.30 2aeg n ARG 90 N -4.93 0.00 -2.02 2.37 0.63 -0.94 -4.83 116.66 106.94 2aeg n ARG 90 Ca -0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 2aeg n ARG 90 Cb 0.25 -1.18 0.00 0.00 0.45 0.00 0.00 32.46 31.97 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 0.73 -5.30 -1.50 -0.14 4.07 -0.26 -4.57 120.64 113.67 2aeg n GLU 92 Ca 0.00 3.77 -0.37 0.00 -0.06 0.00 0.00 57.16 60.51 2aeg n GLU 92 Cb 0.00 -4.14 0.07 0.00 -0.06 0.00 0.00 31.44 27.31 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 1.33 0.71 -3.40 5.31 -0.02 -1.26 -4.43 135.00 133.24 2aeg n PRO 93 Ca 0.00 0.29 -0.14 0.00 -2.02 0.00 0.00 63.50 61.64 2aeg n PRO 93 Cb 0.00 -2.23 -0.10 0.00 -0.02 0.00 0.00 33.50 31.16 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 -1.46 0.89 0.31 2.55 2.15 0.93 -4.98 116.67 117.06 2aeg s ASP 94 Ca 0.76 -0.15 0.26 0.00 0.43 0.00 0.00 52.55 53.84 2aeg s ASP 94 Cb -0.38 0.76 1.05 0.00 -0.30 0.00 0.00 42.92 44.06 2aeg s ASP 94 CO 0.48 -0.33 1.77 -0.09 -0.17 0.00 0.00 175.17 176.82 2aeg h ARG 95 N 8.24 0.00 0.00 4.34 9.65 -1.85 -3.37 114.38 131.39 2aeg h ARG 95 Ca -0.17 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 2aeg h ARG 95 Cb 1.14 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.72 2aeg h ARG 95 CO 0.29 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.47 2aeg n GLY 96 N 0.05 -0.54 3.35 2.80 0.00 -1.26 -4.55 105.19 105.03 2aeg n GLY 96 Ca 0.02 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.96 3.71 0.09 1.61 1.01 0.15 -4.72 120.40 119.29 2aeg s VAL 97 Ca 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 2aeg s VAL 97 Cb 0.00 -2.75 -0.24 0.00 0.00 0.00 0.00 36.38 33.39 2aeg s VAL 97 CO 0.00 0.33 1.21 0.71 0.00 0.00 0.00 175.10 177.34 2aeg h THR 98 N 5.72 1.35 -4.35 3.92 1.35 -1.88 0.82 112.91 119.85 2aeg h THR 98 Ca -0.38 -2.48 -0.70 0.00 -0.55 0.00 0.00 66.41 62.30 2aeg h THR 98 Cb 1.16 2.55 -0.29 0.00 -1.73 0.00 0.00 68.15 69.84 2aeg h THR 98 CO 0.59 0.75 -0.86 0.20 -0.25 0.00 0.00 175.52 175.95 2aeg s ASN 99 N -7.23 3.28 -0.29 5.36 0.01 -1.26 -2.75 114.94 112.05 2aeg s ASN 99 Ca -0.07 -0.42 -0.02 0.00 -0.71 0.00 0.00 52.86 51.64 2aeg s ASN 99 Cb 0.07 -0.57 0.05 0.00 0.41 0.00 0.00 41.25 41.21 2aeg s ASN 99 CO 0.90 0.31 -0.01 0.54 -1.51 0.00 0.00 177.10 177.32 2aeg s VAL 100 N -0.53 2.96 0.00 1.60 0.11 -0.81 -4.93 120.40 118.80 2aeg s VAL 100 Ca 0.07 -1.32 0.00 0.00 -2.93 0.00 0.00 61.98 57.80 2aeg s VAL 100 Cb -0.11 -2.66 0.00 0.00 -1.53 0.00 0.00 36.38 32.08 2aeg s VAL 100 CO 0.00 -0.05 0.00 -1.14 -3.33 0.00 0.00 175.10 170.58 2aeg n ARG 101 N 4.63 0.00 -1.60 1.54 3.00 -1.26 -1.70 116.66 121.27 2aeg n ARG 101 Ca -0.14 0.09 -0.37 0.00 -0.00 0.00 0.00 57.85 57.44 2aeg n ARG 101 Cb 0.44 -0.58 -0.03 0.00 0.00 0.00 0.00 32.46 32.29 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 -0.97 2.24 0.00 -0.14 1.02 -1.26 -4.81 119.74 115.81 2aeg s LYS 102 Ca 0.00 1.41 0.11 0.00 0.02 0.00 0.00 55.97 57.51 2aeg s LYS 102 Cb 0.00 -4.55 0.63 0.00 -0.52 0.00 0.00 37.83 33.39 2aeg s LYS 102 CO 0.00 -3.12 1.38 1.28 -0.92 0.00 0.00 175.35 173.96 2aeg n LEU 103 N 15.27 0.00 -0.01 3.17 4.77 -1.26 -2.86 117.00 136.09 2aeg n LEU 103 Ca 0.35 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.39 2aeg n LEU 103 Cb 0.54 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 2aeg n LEU 103 CO 0.70 0.00 -0.60 -0.46 -1.33 0.00 0.00 177.39 175.71 2aeg n ASN 104 N -0.67 2.05 -4.67 -1.43 6.94 -1.26 -4.81 115.26 111.40 2aeg n ASN 104 Ca 0.08 -0.06 -0.46 0.00 -0.02 0.00 0.00 54.58 54.12 2aeg n ASN 104 Cb 0.04 1.52 -0.04 0.00 -2.36 0.00 0.00 39.78 38.94 2aeg n ASN 104 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2aeg n LEU 105 N -1.88 3.76 -0.33 -4.53 7.94 -1.13 -4.85 117.00 115.98 2aeg n LEU 105 Ca -0.02 0.95 0.22 0.00 -1.11 0.00 0.00 56.01 56.05 2aeg n LEU 105 Cb 0.31 -1.44 0.44 0.00 0.53 0.00 0.00 43.42 43.26 2aeg n LEU 105 CO 0.26 0.05 1.08 -0.65 -1.11 0.00 0.00 177.39 177.02 2aeg h PRO 106 N 9.67 0.29 -0.45 1.96 0.11 -1.93 -2.04 132.00 139.61 2aeg h PRO 106 Ca -0.49 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.70 2aeg h PRO 106 Cb 1.26 -0.07 -0.09 0.00 0.11 0.00 0.00 31.00 32.21 2aeg h PRO 106 CO 0.94 0.19 -0.21 1.25 -0.21 0.00 0.00 178.00 179.96 2aeg h HIS 107 N 0.30 -0.54 -0.02 0.65 2.76 -1.97 -2.45 115.15 113.89 2aeg h HIS 107 Ca 0.70 0.05 -0.14 0.00 -2.20 0.00 0.00 60.37 58.78 2aeg h HIS 107 Cb 1.57 0.31 -0.02 0.00 1.55 0.00 0.00 27.41 30.82 2aeg h HIS 107 CO -0.06 -0.30 -0.66 -1.49 -1.30 0.00 0.00 177.93 174.12 2aeg h TRP 108 N -0.12 0.11 0.00 5.26 -0.00 -1.71 -3.29 115.95 116.20 2aeg h TRP 108 Ca 0.21 -0.05 0.00 0.00 -0.00 0.00 0.00 58.89 59.06 2aeg h TRP 108 Cb 0.45 -0.02 0.00 0.00 -0.00 0.00 0.00 29.16 29.60 2aeg h TRP 108 CO -0.47 0.72 0.32 1.79 -0.00 0.00 0.00 178.44 180.80 2aeg h THR 109 N 0.06 0.00 0.00 1.49 1.35 -1.35 -0.33 112.91 114.14 2aeg h THR 109 Ca -0.01 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.81 2aeg h THR 109 Cb 1.17 0.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 2aeg h THR 109 CO 0.09 0.00 -0.28 0.08 -0.25 0.00 0.00 175.52 175.16 2aeg h ARG 110 N 0.00 0.00 -0.49 4.72 0.11 -1.66 -3.30 114.38 113.76 2aeg h ARG 110 Ca 0.00 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.81 2aeg h ARG 110 Cb 0.65 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 31.57 2aeg h ARG 110 CO 0.00 0.18 0.03 0.91 0.10 0.00 0.00 179.97 181.19 2aeg n TRP 111 N -3.11 1.54 1.04 4.08 8.01 -0.13 -4.49 117.44 124.38 2aeg n TRP 111 Ca 0.03 -1.74 0.12 0.00 -1.31 0.00 0.00 57.50 54.60 2aeg n TRP 111 Cb 0.61 -0.60 0.11 0.00 -2.01 0.00 0.00 31.31 29.43 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 -1.11 0.00 -0.75 -5.99 3.72 -1.24 -4.70 117.46 107.39 2aeg n PHE 112 Ca 0.39 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.51 2aeg n PHE 112 Cb 1.12 -0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.88 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 -2.13 1.56 0.42 1.37 0.00 -1.26 -4.53 107.32 102.76 2aeg s GLY 113 Ca 0.26 -0.14 0.13 0.00 0.00 0.00 0.00 44.72 44.97 2aeg s GLY 113 CO 0.37 0.52 1.94 -2.08 0.00 0.00 0.00 173.10 173.85 2aeg h VAL 114 N -2.34 1.17 0.00 1.40 2.07 -1.89 -2.59 116.25 114.06 2aeg h VAL 114 Ca -0.58 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.14 2aeg h VAL 114 Cb 1.33 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2aeg h VAL 114 CO 0.52 0.23 0.00 -1.84 0.02 0.00 0.00 177.57 176.50 2aeg n GLU 115 N -4.26 0.95 -0.10 1.57 0.00 -1.26 -3.10 120.64 114.44 2aeg n GLU 115 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.22 2aeg n GLU 115 Cb 0.29 -1.50 0.13 0.00 0.00 0.00 0.00 31.44 30.36 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 -1.01 0.10 -3.44 -1.84 8.25 -0.98 -4.47 115.22 111.84 2aeg n HIS 116 Ca 0.23 -0.90 -0.28 0.00 -0.26 0.00 0.00 57.72 56.51 2aeg n HIS 116 Cb 0.11 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.04 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 -2.54 3.58 -0.02 -0.41 1.81 -1.18 -2.07 118.95 118.12 2aeg s ARG 117 Ca 0.28 -0.13 -0.29 0.00 -1.72 0.00 0.00 55.73 53.86 2aeg s ARG 117 Cb 0.24 -2.70 0.08 0.00 -0.45 0.00 0.00 34.95 32.12 2aeg s ARG 117 CO 0.03 0.26 0.71 0.00 -0.68 0.00 0.00 175.30 175.62 2aeg s LEU 119 N -1.56 3.84 -0.61 0.00 1.02 0.90 -0.83 118.68 121.45 2aeg s LEU 119 Ca -0.07 -0.04 -0.12 0.00 0.02 0.00 0.00 54.13 53.92 2aeg s LEU 119 Cb -0.00 -2.04 0.15 0.00 0.02 0.00 0.00 46.19 44.32 2aeg s LEU 119 CO 0.03 -0.01 0.52 -0.69 0.02 0.00 0.00 176.35 176.23 2aeg s VAL 120 N 1.47 4.91 0.35 -1.59 1.01 -1.11 -1.70 120.40 123.74 2aeg s VAL 120 Ca 0.06 -1.98 -0.29 0.00 0.00 0.00 0.00 61.98 59.78 2aeg s VAL 120 Cb -0.15 -4.13 -0.11 0.00 0.00 0.00 0.00 36.38 31.98 2aeg s VAL 120 CO 0.07 -0.89 1.51 -0.81 0.00 0.00 0.00 175.10 174.98 2aeg n PRO 121 N 4.65 2.65 -3.70 2.72 -0.04 -1.26 -0.79 135.00 139.23 2aeg n PRO 121 Ca -0.03 0.93 -0.13 0.00 -0.04 0.00 0.00 63.50 64.24 2aeg n PRO 121 Cb 0.42 -2.67 -0.09 0.00 -0.04 0.00 0.00 33.50 31.11 2aeg n PRO 121 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2aeg s VAL 122 N -0.74 -0.00 -0.13 0.52 0.11 -1.26 -4.89 120.40 114.01 2aeg s VAL 122 Ca 0.57 0.01 0.14 0.00 -2.93 0.00 0.00 61.98 59.77 2aeg s VAL 122 Cb -0.49 -0.71 -0.19 0.00 -1.53 0.00 0.00 36.38 33.45 2aeg s VAL 122 CO 0.59 0.00 0.09 0.35 -3.33 0.00 0.00 175.10 172.80 2aeg n THR 123 N 3.08 0.89 -3.61 5.04 -2.24 -0.38 -4.46 114.28 112.61 2aeg n THR 123 Ca -0.15 -0.60 -0.16 0.00 -2.27 0.00 0.00 64.05 60.87 2aeg n THR 123 Cb 0.56 -0.51 -0.07 0.00 -2.10 0.00 0.00 70.33 68.21 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 -4.71 -0.53 0.06 3.42 1.04 -1.10 -4.45 113.70 107.43 2aeg s SER 124 Ca -0.07 0.65 0.04 0.00 0.48 0.00 0.00 55.95 57.05 2aeg s SER 124 Cb 0.05 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.76 2aeg s SER 124 CO 0.62 -0.49 -0.11 0.72 0.98 0.00 0.00 173.24 174.96 2aeg s PHE 125 N -0.93 0.95 0.23 5.02 -0.12 -0.79 0.46 117.98 122.80 2aeg s PHE 125 Ca -0.09 -0.51 0.07 0.00 -0.05 0.00 0.00 56.93 56.35 2aeg s PHE 125 Cb -0.02 -0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 41.79 2aeg s PHE 125 CO 0.07 -0.02 0.14 0.00 -0.05 0.00 0.00 175.22 175.36 2aeg s ALA 126 N -1.50 3.50 -0.04 1.99 0.00 -0.02 -0.94 121.76 124.74 2aeg s ALA 126 Ca -0.04 -1.42 -0.03 0.00 0.00 0.00 0.00 51.96 50.47 2aeg s ALA 126 Cb -0.09 -1.22 0.01 0.00 0.00 0.00 0.00 23.12 21.83 2aeg s ALA 126 CO 0.01 0.31 0.10 -1.21 0.00 0.00 0.00 175.76 174.97 2aeg s GLU 127 N -3.64 0.11 0.01 0.00 0.41 -0.90 -4.57 118.70 110.13 2aeg s GLU 127 Ca 0.32 0.16 -0.35 0.00 -0.41 0.00 0.00 54.97 54.69 2aeg s GLU 127 Cb -0.08 0.02 -0.14 0.00 -1.78 0.00 0.00 34.13 32.15 2aeg s GLU 127 CO 0.24 -0.03 1.65 -2.30 -0.49 0.00 0.00 175.26 174.32 2aeg n PRO 128 N 3.18 1.85 -3.41 0.39 -0.02 -1.26 -2.02 135.00 133.72 2aeg n PRO 128 Ca -0.14 0.67 -0.29 0.00 -2.02 0.00 0.00 63.50 61.72 2aeg n PRO 128 Cb 0.58 -2.43 -0.07 0.00 -0.02 0.00 0.00 33.50 31.56 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 4.53 4.04 0.09 2.55 2.03 0.59 -4.48 116.55 125.89 2aeg n ASP 129 Ca 0.20 -3.42 0.06 0.00 0.52 0.00 0.00 54.79 52.15 2aeg n ASP 129 Cb 0.25 -0.75 0.50 0.00 -0.72 0.00 0.00 41.12 40.40 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 4.43 0.34 0.00 -0.67 0.13 -1.82 -2.25 132.00 132.16 2aeg h PRO 130 Ca 0.20 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2aeg h PRO 130 Cb 0.66 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.72 2aeg h PRO 130 CO 0.89 0.23 0.00 0.00 -0.23 0.00 0.00 178.00 178.89 2aeg n ALA 131 N -2.50 1.53 -0.17 -0.56 0.00 -1.26 -1.09 120.51 116.45 2aeg n ALA 131 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2aeg n ALA 131 Cb 0.08 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.08 1.65 -4.60 0.00 7.64 -0.85 -5.00 113.62 111.38 2aeg n SER 132 Ca 0.02 -1.83 -0.43 0.00 1.01 0.00 0.00 58.87 57.64 2aeg n SER 132 Cb 0.01 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.19 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 -0.83 3.44 0.20 1.43 2.20 -0.25 -4.80 119.74 121.13 2aeg s LYS 133 Ca 0.00 1.44 -0.15 0.00 -0.36 0.00 0.00 55.97 56.90 2aeg s LYS 133 Cb 0.00 -4.16 0.20 0.00 -1.51 0.00 0.00 37.83 32.37 2aeg s LYS 133 CO 0.00 -1.73 1.63 -0.56 -0.36 0.00 0.00 175.35 174.33 2aeg h GLN 134 N 12.31 -0.01 0.00 4.03 3.07 -1.90 -3.47 115.11 129.14 2aeg h GLN 134 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.41 2aeg h GLN 134 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.72 2aeg h GLN 134 CO 1.03 -0.01 0.00 -1.91 0.09 0.00 0.00 178.83 178.03 2aeg n GLU 135 N -5.41 0.00 0.00 0.06 4.07 -1.26 -4.96 120.64 113.14 2aeg n GLU 135 Ca 0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 2aeg n GLU 135 Cb 0.31 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.69 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 0.00 0.98 2.50 8.31 0.00 -1.26 -4.80 105.19 110.92 2aeg n GLY 136 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2aeg n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aeg n GLY 137 N 0.14 0.30 3.78 -0.02 0.00 -1.26 -5.07 105.19 103.07 2aeg n GLY 137 Ca 0.00 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 2aeg n GLY 137 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2aeg s ASN 138 N -3.72 6.54 0.02 1.61 0.02 -1.26 -4.94 114.94 113.21 2aeg s ASN 138 Ca 0.44 2.06 -0.30 0.00 -1.02 0.00 0.00 52.86 54.04 2aeg s ASN 138 Cb -0.02 -2.58 -0.08 0.00 0.02 0.00 0.00 41.25 38.59 2aeg s ASN 138 CO 0.29 -0.65 1.78 -0.69 0.02 0.00 0.00 177.10 177.86 2aeg s VAL 139 N -1.71 3.18 0.87 1.60 1.01 -1.26 -4.61 120.40 119.47 2aeg s VAL 139 Ca 0.61 0.36 -0.12 0.00 0.00 0.00 0.00 61.98 62.83 2aeg s VAL 139 Cb -0.22 -3.23 0.12 0.00 0.00 0.00 0.00 36.38 33.05 2aeg s VAL 139 CO 0.27 -0.02 1.15 -2.16 0.00 0.00 0.00 175.10 174.33 2aeg s PRO 140 N 3.79 1.44 0.24 2.72 0.04 -1.26 -4.02 135.00 137.95 2aeg s PRO 140 Ca 0.80 0.26 0.12 0.00 0.04 0.00 0.00 61.00 62.22 2aeg s PRO 140 Cb -0.39 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 2aeg s PRO 140 CO 0.35 -1.99 -0.21 -0.80 0.04 0.00 0.00 177.00 174.39 2aeg s ASN 141 N -4.18 3.56 -0.14 6.66 0.01 0.73 -0.30 114.94 121.27 2aeg s ASN 141 Ca 0.63 -0.93 0.01 0.00 -0.71 0.00 0.00 52.86 51.86 2aeg s ASN 141 Cb -0.14 -0.30 0.00 0.00 0.41 0.00 0.00 41.25 41.22 2aeg s ASN 141 CO 0.52 0.08 -0.19 0.00 -1.51 0.00 0.00 177.10 176.00 2aeg s ALA 142 N -2.09 2.37 -0.18 0.60 0.00 -0.85 -1.32 121.76 120.29 2aeg s ALA 142 Ca 0.25 -1.05 -0.08 0.00 0.00 0.00 0.00 51.96 51.08 2aeg s ALA 142 Cb -0.07 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 2aeg s ALA 142 CO 0.13 0.01 0.08 -1.58 0.00 0.00 0.00 175.76 174.40 2aeg s TRP 143 N 0.76 3.31 0.00 0.00 0.52 0.15 -2.11 118.94 121.57 2aeg s TRP 143 Ca -0.07 0.18 0.03 0.00 0.02 0.00 0.00 56.10 56.25 2aeg s TRP 143 Cb -0.16 -2.08 -0.03 0.00 -1.15 0.00 0.00 33.47 30.05 2aeg s TRP 143 CO 0.00 0.24 -0.06 -0.06 0.02 0.00 0.00 176.95 177.09 2aeg s PHE 144 N 0.24 2.90 0.16 -1.98 0.08 -0.12 -0.70 117.98 118.56 2aeg s PHE 144 Ca 0.05 -0.03 -0.08 0.00 0.12 0.00 0.00 56.93 57.00 2aeg s PHE 144 Cb -0.12 -1.61 -0.01 0.00 -0.57 0.00 0.00 43.02 40.70 2aeg s PHE 144 CO -0.00 0.38 0.24 0.00 -0.10 0.00 0.00 175.22 175.74 2aeg s ALA 145 N -1.00 0.14 0.29 5.36 0.00 -0.94 -1.88 121.76 123.73 2aeg s ALA 145 Ca 0.17 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.19 2aeg s ALA 145 Cb -0.11 0.85 0.45 0.00 0.00 0.00 0.00 23.12 24.31 2aeg s ALA 145 CO 0.07 -0.62 1.73 -0.09 0.00 0.00 0.00 175.76 176.86 2aeg h ARG 146 N 2.60 0.41 -2.57 0.00 9.65 -1.82 -1.11 114.38 121.55 2aeg h ARG 146 Ca -0.32 -0.16 0.15 0.00 -1.10 0.00 0.00 59.98 58.55 2aeg h ARG 146 Cb 1.22 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.75 2aeg h ARG 146 CO 0.50 0.65 0.57 0.16 2.80 0.00 0.00 179.97 184.66 2aeg s ASP 147 N -6.83 0.01 0.53 -3.80 1.47 -1.26 -4.60 116.67 102.19 2aeg s ASP 147 Ca -0.06 -0.71 0.30 0.00 1.18 0.00 0.00 52.55 53.27 2aeg s ASP 147 Cb 0.14 0.52 1.46 0.00 -0.34 0.00 0.00 42.92 44.70 2aeg s ASP 147 CO 0.78 -1.03 2.05 -0.33 0.68 0.00 0.00 175.17 177.31 2aeg h GLU 148 N 2.00 0.00 -0.00 2.11 5.08 -1.99 -0.91 114.58 120.86 2aeg h GLU 148 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2aeg h GLU 148 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2aeg h GLU 148 CO 0.36 0.10 -0.14 0.00 -1.00 0.00 0.00 179.01 178.33 2aeg n ALA 149 N -2.20 2.73 -3.45 3.43 0.00 -1.26 -4.95 120.51 114.81 2aeg n ALA 149 Ca -0.01 -0.20 -0.19 0.00 0.00 0.00 0.00 53.44 53.04 2aeg n ALA 149 Cb 0.27 -1.36 0.09 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.34 -6.89 -1.54 0.00 5.02 -0.35 -4.93 118.16 108.13 2aeg n LYS 150 Ca 0.09 0.83 -0.41 0.00 -2.02 0.00 0.00 58.31 56.80 2aeg n LYS 150 Cb 0.31 -5.81 0.01 0.00 -0.02 0.00 0.00 35.03 29.52 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 -3.05 0.30 -4.59 4.39 7.64 -1.26 -4.76 113.62 112.29 2aeg n SER 151 Ca -0.20 0.96 -0.30 0.00 1.01 0.00 0.00 58.87 60.34 2aeg n SER 151 Cb 0.64 -1.25 0.20 0.00 -1.01 0.00 0.00 64.21 62.79 2aeg n SER 151 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2aeg s LEU 152 N 0.31 1.79 -0.24 -3.43 2.96 -1.26 -4.63 118.68 114.17 2aeg s LEU 152 Ca 0.64 1.77 -0.22 0.00 -0.22 0.00 0.00 54.13 56.11 2aeg s LEU 152 Cb -0.57 -3.93 0.06 0.00 0.50 0.00 0.00 46.19 42.26 2aeg s LEU 152 CO 0.56 -3.58 0.65 -0.36 -1.32 0.00 0.00 176.35 172.30 2aeg s PHE 154 N -2.60 -0.74 0.30 5.38 0.08 -1.02 -4.99 117.98 114.40 2aeg s PHE 154 Ca 0.67 1.76 -0.15 0.00 0.12 0.00 0.00 56.93 59.33 2aeg s PHE 154 Cb -0.23 0.27 -0.09 0.00 -0.57 0.00 0.00 43.02 42.40 2aeg s PHE 154 CO 0.61 -0.36 0.71 -0.06 -0.10 0.00 0.00 175.22 176.02 2aeg s PHE 155 N 0.46 3.40 -0.52 0.36 0.08 0.03 -0.55 117.98 121.23 2aeg s PHE 155 Ca -0.01 1.18 -0.28 0.00 0.12 0.00 0.00 56.93 57.94 2aeg s PHE 155 Cb -0.05 -2.50 0.02 0.00 -0.57 0.00 0.00 43.02 39.92 2aeg s PHE 155 CO -0.01 0.14 1.37 0.00 -0.10 0.00 0.00 175.22 176.62 2aeg s ALA 156 N -1.92 2.90 0.19 5.36 0.00 -1.21 -2.75 121.76 124.33 2aeg s ALA 156 Ca 0.52 -0.56 0.06 0.00 0.00 0.00 0.00 51.96 51.98 2aeg s ALA 156 Cb -0.11 -4.05 -0.04 0.00 0.00 0.00 0.00 23.12 18.93 2aeg s ALA 156 CO 0.18 -2.74 0.14 0.20 0.00 0.00 0.00 175.76 173.54 2aeg s GLY 157 N 4.04 1.63 -0.04 0.00 0.00 -0.01 -0.95 107.32 111.99 2aeg s GLY 157 Ca 0.53 -1.30 0.02 0.00 0.00 0.00 0.00 44.72 43.97 2aeg s GLY 157 CO 0.27 -1.32 -0.07 -0.42 0.00 0.00 0.00 173.10 171.56 2aeg s ILE 158 N -1.88 0.68 0.23 0.90 1.01 0.54 -0.83 121.20 121.85 2aeg s ILE 158 Ca 0.31 -0.25 0.10 0.00 0.00 0.00 0.00 60.65 60.81 2aeg s ILE 158 Cb -0.09 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.68 2aeg s ILE 158 CO 0.23 0.24 -0.17 -1.38 0.00 0.00 0.00 174.94 173.86 2aeg s HIS 159 N 0.61 1.96 -0.22 3.97 -3.43 -0.88 -0.77 115.29 116.53 2aeg s HIS 159 Ca -0.09 -0.47 -0.02 0.00 -0.80 0.00 0.00 55.06 53.68 2aeg s HIS 159 Cb -0.12 -0.89 0.07 0.00 -1.43 0.00 0.00 32.58 30.21 2aeg s HIS 159 CO 0.01 0.50 0.05 0.08 -2.00 0.00 0.00 174.74 173.38 2aeg s VAL 160 N -2.69 0.60 0.42 -5.38 1.01 -0.51 -4.79 120.40 109.06 2aeg s VAL 160 Ca 0.25 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 2aeg s VAL 160 Cb -0.03 -1.18 -0.08 0.00 0.00 0.00 0.00 36.38 35.09 2aeg s VAL 160 CO 0.10 -0.32 1.17 -2.16 0.00 0.00 0.00 175.10 173.89 2aeg s PRO 161 N 1.81 3.96 -0.83 2.72 0.04 -1.26 -1.05 135.00 140.38 2aeg s PRO 161 Ca 0.01 1.82 -0.10 0.00 0.04 0.00 0.00 61.00 62.78 2aeg s PRO 161 Cb -0.17 -2.59 0.01 0.00 0.04 0.00 0.00 34.50 31.79 2aeg s PRO 161 CO -0.13 -0.40 0.55 1.04 0.04 0.00 0.00 177.00 178.10 2aeg n GLN 162 N -0.11 -1.04 -3.73 4.56 1.13 -1.25 -4.91 117.38 112.04 2aeg n GLN 162 Ca 0.05 0.45 -0.36 0.00 -1.94 0.00 0.00 57.00 55.20 2aeg n GLN 162 Cb 0.47 -1.97 -0.09 0.00 0.11 0.00 0.00 30.24 28.76 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 -3.13 3.34 -0.26 1.08 -0.11 0.39 -4.79 118.94 115.47 2aeg s TRP 163 Ca 0.13 0.24 -0.10 0.00 1.22 0.00 0.00 56.10 57.59 2aeg s TRP 163 Cb -0.08 -2.20 -0.05 0.00 -1.50 0.00 0.00 33.47 29.65 2aeg s TRP 163 CO 0.81 0.16 0.16 -1.59 -4.62 0.00 0.00 176.95 171.88 2aeg s LYS 164 N 0.69 3.91 0.20 5.86 0.00 -1.26 0.35 119.74 129.50 2aeg s LYS 164 Ca 0.07 -0.34 -0.22 0.00 0.00 0.00 0.00 55.97 55.48 2aeg s LYS 164 Cb -0.12 -3.56 0.07 0.00 0.00 0.00 0.00 37.83 34.22 2aeg s LYS 164 CO 0.01 -0.13 0.99 -1.54 0.00 0.00 0.00 175.35 174.69 2aeg s SER 165 N 1.57 -0.03 -0.69 0.03 1.04 -0.57 -4.95 113.70 110.10 2aeg s SER 165 Ca 0.07 -0.68 -0.15 0.00 0.48 0.00 0.00 55.95 55.67 2aeg s SER 165 Cb -0.15 0.54 0.18 0.00 0.10 0.00 0.00 66.02 66.69 2aeg s SER 165 CO 0.08 -1.07 0.64 -0.69 0.98 0.00 0.00 173.24 173.19 2aeg s VAL 166 N -2.40 5.42 0.14 5.02 1.01 -1.26 -1.60 120.40 126.73 2aeg s VAL 166 Ca 0.19 -2.01 -0.09 0.00 0.00 0.00 0.00 61.98 60.07 2aeg s VAL 166 Cb -0.03 -4.41 -0.08 0.00 0.00 0.00 0.00 36.38 31.86 2aeg s VAL 166 CO 0.05 -0.95 1.43 0.03 0.00 0.00 0.00 175.10 175.66 2aeg h ARG 167 N 8.31 0.79 -3.33 2.72 2.47 -1.72 0.26 114.38 123.87 2aeg h ARG 167 Ca -0.09 -0.51 -0.31 0.00 -1.26 0.00 0.00 59.98 57.81 2aeg h ARG 167 Cb 1.07 0.06 -0.36 0.00 -1.65 0.00 0.00 29.97 29.09 2aeg h ARG 167 CO 0.89 1.13 -0.70 0.15 0.56 0.00 0.00 179.97 182.01 2aeg s LYS 168 N -4.07 -0.02 0.55 0.04 1.02 -1.26 -4.14 119.74 111.86 2aeg s LYS 168 Ca -0.10 0.35 0.36 0.00 0.02 0.00 0.00 55.97 56.61 2aeg s LYS 168 Cb 0.10 -0.33 1.53 0.00 -0.52 0.00 0.00 37.83 38.61 2aeg s LYS 168 CO 0.88 -0.25 1.78 -0.24 -0.92 0.00 0.00 175.35 176.60 2aeg h VAL 169 N 6.32 0.36 -0.17 3.17 3.04 -1.87 0.82 116.25 127.93 2aeg h VAL 169 Ca -0.28 0.00 -0.14 0.00 -1.01 0.00 0.00 66.70 65.27 2aeg h VAL 169 Cb 1.12 0.38 -0.01 0.00 -2.01 0.00 0.00 31.29 30.78 2aeg h VAL 169 CO 0.30 0.00 -0.49 -0.09 -1.01 0.00 0.00 177.57 176.28 2aeg h ARG 170 N 0.00 0.46 0.00 4.17 2.43 -1.99 -3.14 114.38 116.31 2aeg h ARG 170 Ca 0.55 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2aeg h ARG 170 Cb 2.30 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.87 2aeg h ARG 170 CO -0.01 0.85 -0.69 -0.44 -1.51 0.00 0.00 179.97 178.17 2aeg h ASP 171 N 0.37 0.00 0.00 -3.80 3.45 -1.28 -3.50 116.42 111.66 2aeg h ASP 171 Ca 0.02 -0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.32 2aeg h ASP 171 Cb 0.99 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.76 2aeg h ASP 171 CO 0.09 0.08 0.00 0.61 -1.57 0.00 0.00 179.24 178.45 2aeg n GLY 172 N 1.29 0.09 3.70 2.75 0.00 -0.88 -4.76 105.19 107.38 2aeg n GLY 172 Ca 0.03 -1.00 -0.39 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 4.26 0.03 0.99 1.98 -1.26 -4.17 118.68 120.51 2aeg s LEU 173 Ca 0.00 0.95 -0.02 0.00 -2.89 0.00 0.00 54.13 52.17 2aeg s LEU 173 Cb 0.00 -2.88 -0.02 0.00 0.66 0.00 0.00 46.19 43.95 2aeg s LEU 173 CO 0.00 -0.11 0.02 0.42 -1.89 0.00 0.00 176.35 174.79 2aeg s THR 174 N 1.02 0.15 -0.34 3.68 -4.23 -0.63 -4.95 115.64 110.34 2aeg s THR 174 Ca 0.31 -1.22 -0.12 0.00 -1.18 0.00 0.00 61.69 59.48 2aeg s THR 174 Cb -0.16 -0.83 -0.01 0.00 1.34 0.00 0.00 72.50 72.84 2aeg s THR 174 CO 0.13 -0.67 0.22 -0.89 -0.54 0.00 0.00 174.62 172.87 2aeg s THR 175 N -2.54 5.04 0.06 3.99 2.01 -1.26 -1.51 115.64 121.42 2aeg s THR 175 Ca -0.06 -0.37 0.06 0.00 0.31 0.00 0.00 61.69 61.64 2aeg s THR 175 Cb -0.02 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 2aeg s THR 175 CO -0.05 -0.03 -0.16 -1.81 -0.69 0.00 0.00 174.62 171.88 2aeg s ASP 176 N 1.67 1.94 -0.26 3.53 1.01 0.16 -4.78 116.67 119.94 2aeg s ASP 176 Ca 0.05 -0.55 -0.25 0.00 0.71 0.00 0.00 52.55 52.51 2aeg s ASP 176 Cb -0.18 -0.11 -0.00 0.00 1.01 0.00 0.00 42.92 43.64 2aeg s ASP 176 CO 0.09 0.03 0.86 -1.81 0.21 0.00 0.00 175.17 174.55 2aeg s ASP 177 N -1.44 6.84 0.44 0.27 1.01 -1.26 -0.46 116.67 122.08 2aeg s ASP 177 Ca 0.02 1.02 0.08 0.00 0.71 0.00 0.00 52.55 54.38 2aeg s ASP 177 Cb -0.09 -2.45 -0.00 0.00 1.01 0.00 0.00 42.92 41.39 2aeg s ASP 177 CO 0.02 -0.57 0.45 -0.76 0.21 0.00 0.00 175.17 174.52 2aeg s LEU 178 N 2.95 3.35 -0.01 1.23 1.43 -0.21 0.28 118.68 127.70 2aeg s LEU 178 Ca 0.36 -0.74 -0.29 0.00 -1.03 0.00 0.00 54.13 52.43 2aeg s LEU 178 Cb -0.15 -2.05 0.10 0.00 0.03 0.00 0.00 46.19 44.13 2aeg s LEU 178 CO 0.08 -0.77 0.88 -0.72 0.23 0.00 0.00 176.35 176.05 2aeg s TYR 179 N -2.50 -0.36 0.30 0.29 -0.85 -0.41 -1.42 117.35 112.41 2aeg s TYR 179 Ca 0.49 0.25 -0.19 0.00 -0.52 0.00 0.00 57.07 57.10 2aeg s TYR 179 Cb -0.05 0.53 0.06 0.00 0.38 0.00 0.00 41.96 42.88 2aeg s TYR 179 CO 0.29 -0.54 0.87 0.20 -1.52 0.00 0.00 175.55 174.85 2aeg s GLY 180 N -2.39 0.20 0.06 5.49 0.00 0.05 0.07 107.32 110.80 2aeg s GLY 180 Ca 0.04 -0.52 -0.03 0.00 0.00 0.00 0.00 44.72 44.22 2aeg s GLY 180 CO -0.08 0.51 0.03 -0.11 0.00 0.00 0.00 173.10 173.44 2aeg s PHE 181 N -2.53 0.41 0.40 1.90 -0.71 -1.11 -0.34 117.98 116.00 2aeg s PHE 181 Ca 0.16 -0.90 -0.25 0.00 -1.04 0.00 0.00 56.93 54.90 2aeg s PHE 181 Cb -0.04 -0.29 -0.08 0.00 -1.21 0.00 0.00 43.02 41.39 2aeg s PHE 181 CO 0.08 -0.41 1.18 -0.51 -1.34 0.00 0.00 175.22 174.23 2aeg s LEU 182 N -2.81 4.19 0.37 -1.99 1.02 -0.13 -1.92 118.68 117.41 2aeg s LEU 182 Ca 0.05 2.37 0.08 0.00 0.02 0.00 0.00 54.13 56.65 2aeg s LEU 182 Cb 0.06 -4.02 -0.07 0.00 0.02 0.00 0.00 46.19 42.18 2aeg s LEU 182 CO -0.10 -0.70 -0.03 0.28 0.02 0.00 0.00 176.35 175.82 2aeg s THR 183 N -1.40 1.99 0.04 5.49 -1.32 -0.69 -1.69 115.64 118.06 2aeg s THR 183 Ca 0.57 -2.08 -0.01 0.00 -1.21 0.00 0.00 61.69 58.96 2aeg s THR 183 Cb -0.31 -2.82 0.00 0.00 -1.51 0.00 0.00 72.50 67.87 2aeg s THR 183 CO 0.39 -0.10 0.07 1.07 -2.21 0.00 0.00 174.62 173.85 2aeg n THR 184 N -0.85 0.00 -2.32 5.08 5.66 -1.26 -4.55 114.28 116.04 2aeg n THR 184 Ca -0.05 -0.11 -0.40 0.00 -3.05 0.00 0.00 64.05 60.45 2aeg n THR 184 Cb 0.65 0.10 -0.03 0.00 -1.55 0.00 0.00 70.33 69.50 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 -1.20 6.90 0.47 1.09 1.01 -1.26 -4.45 116.67 119.23 2aeg s ASP 185 Ca 0.02 2.41 -0.20 0.00 0.71 0.00 0.00 52.55 55.48 2aeg s ASP 185 Cb -0.00 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 41.20 2aeg s ASP 185 CO 0.01 -0.41 1.00 -2.16 0.21 0.00 0.00 175.17 173.82 2aeg s PRO 186 N -1.82 3.97 0.15 8.23 0.04 -1.26 -4.48 135.00 139.83 2aeg s PRO 186 Ca 0.50 1.24 -0.00 0.00 0.04 0.00 0.00 61.00 62.78 2aeg s PRO 186 Cb -0.34 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 32.11 2aeg s PRO 186 CO 0.43 -0.27 0.21 0.27 0.04 0.00 0.00 177.00 177.68 2aeg n ASN 187 N -0.88 0.24 0.19 6.66 2.04 -1.26 -4.59 115.26 117.65 2aeg n ASN 187 Ca 0.08 -1.21 0.14 0.00 -0.44 0.00 0.00 54.58 53.15 2aeg n ASN 187 Cb 0.53 -0.14 0.64 0.00 -2.53 0.00 0.00 39.78 38.28 2aeg n ASN 187 CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 2aeg h ASP 188 N -0.15 0.00 0.19 0.53 3.32 -1.94 0.58 116.42 118.95 2aeg h ASP 188 Ca -0.07 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.63 2aeg h ASP 188 Cb 0.25 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.81 2aeg h ASP 188 CO 0.07 0.00 -1.72 0.25 -1.72 0.00 0.00 179.24 176.13 2aeg h LEU 189 N 0.00 0.64 0.04 1.55 5.85 -1.93 -3.39 115.31 118.08 2aeg h LEU 189 Ca 0.00 -0.94 -0.21 0.00 0.84 0.00 0.00 57.88 57.57 2aeg h LEU 189 Cb 0.21 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2aeg h LEU 189 CO 0.00 1.78 -1.13 0.58 -0.34 0.00 0.00 178.44 179.34 2aeg h VAL 190 N 0.10 1.09 -0.87 1.05 2.07 -1.79 -3.40 116.25 114.49 2aeg h VAL 190 Ca -0.34 -2.29 0.19 0.00 0.82 0.00 0.00 66.70 65.09 2aeg h VAL 190 Cb 2.10 2.60 -0.16 0.00 -1.52 0.00 0.00 31.29 34.31 2aeg h VAL 190 CO 0.19 0.52 -0.14 0.50 0.02 0.00 0.00 177.57 178.66 2aeg h LYS 191 N -0.72 0.02 -0.49 1.57 3.64 -0.84 0.57 116.57 120.33 2aeg h LYS 191 Ca -0.28 -0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.24 2aeg h LYS 191 Cb 1.44 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.23 2aeg h LYS 191 CO -0.07 0.01 0.42 -1.35 -2.27 0.00 0.00 179.45 176.19 2aeg h PRO 192 N 0.02 0.00 0.00 1.90 0.11 -1.78 -2.62 132.00 129.64 2aeg h PRO 192 Ca 0.45 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 66.19 2aeg h PRO 192 Cb 0.75 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.79 2aeg h PRO 192 CO -0.86 0.00 -2.40 -0.89 -0.21 0.00 0.00 178.00 173.64 2aeg n ILE 193 N -4.04 1.41 -3.56 4.15 5.41 0.11 -4.93 119.36 117.91 2aeg n ILE 193 Ca 0.09 -0.57 -0.19 0.00 1.00 0.00 0.00 62.75 63.07 2aeg n ILE 193 Cb 0.62 -1.28 -0.14 0.00 -0.71 0.00 0.00 39.64 38.12 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 -2.49 -0.16 -0.19 1.39 5.04 0.16 -4.62 115.29 114.41 2aeg s HIS 194 Ca -0.31 0.22 0.20 0.00 -1.54 0.00 0.00 55.06 53.63 2aeg s HIS 194 Cb 0.08 -0.40 -0.05 0.00 0.04 0.00 0.00 32.58 32.25 2aeg s HIS 194 CO 0.59 -0.50 0.97 -1.91 -2.34 0.00 0.00 174.74 171.55 2aeg n GLU 195 N 5.31 0.61 -0.10 2.88 2.13 -1.18 -3.13 120.64 127.16 2aeg n GLU 195 Ca -0.06 0.16 -0.07 0.00 0.66 0.00 0.00 57.16 57.86 2aeg n GLU 195 Cb 0.49 -1.82 -0.00 0.00 0.27 0.00 0.00 31.44 30.38 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 -0.20 0.00 5.31 1.63 -1.96 -3.43 116.57 117.93 2aeg h LYS 196 Ca -0.06 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2aeg h LYS 196 Cb 1.21 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 2aeg h LYS 196 CO 0.02 -0.13 0.00 0.00 -3.45 0.00 0.00 179.45 175.89 2aeg n ALA 197 N -2.91 0.00 -2.71 5.00 0.00 -1.26 -4.80 120.51 113.84 2aeg n ALA 197 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.15 2aeg n ALA 197 Cb 0.31 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.51 2.66 0.06 0.00 0.04 -1.26 -4.58 135.00 131.40 2aeg s PRO 199 Ca 0.00 -0.77 -0.30 0.00 0.04 0.00 0.00 61.00 59.97 2aeg s PRO 199 Cb 0.00 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.89 2aeg s PRO 199 CO 0.00 0.56 1.04 0.08 0.04 0.00 0.00 177.00 178.71 2aeg s VAL 200 N -1.30 4.49 -0.02 -0.36 1.01 -0.68 -4.76 120.40 118.78 2aeg s VAL 200 Ca 0.26 1.88 0.05 0.00 0.00 0.00 0.00 61.98 64.17 2aeg s VAL 200 Cb -0.12 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 2aeg s VAL 200 CO 0.18 0.20 -0.16 -0.76 0.00 0.00 0.00 175.10 174.56 2aeg s LEU 201 N 0.61 1.98 -0.18 3.92 1.43 -1.26 -3.30 118.68 121.88 2aeg s LEU 201 Ca 0.52 -0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 53.26 2aeg s LEU 201 Cb -0.24 -0.85 -0.03 0.00 0.03 0.00 0.00 46.19 45.10 2aeg s LEU 201 CO 0.30 0.17 0.02 -0.76 0.23 0.00 0.00 176.35 176.30 2aeg s LEU 202 N -0.21 3.48 -0.01 1.79 1.43 0.29 -4.95 118.68 120.50 2aeg s LEU 202 Ca 0.03 -0.06 0.09 0.00 -1.03 0.00 0.00 54.13 53.15 2aeg s LEU 202 Cb -0.08 -1.87 -0.14 0.00 0.03 0.00 0.00 46.19 44.13 2aeg s LEU 202 CO 0.00 0.14 0.20 0.18 0.23 0.00 0.00 176.35 177.10 2aeg n LEU 203 N 3.75 0.02 -4.60 1.79 4.32 -1.26 -2.42 117.00 118.59 2aeg n LEU 203 Ca -0.17 -0.02 -0.25 0.00 -0.02 0.00 0.00 56.01 55.54 2aeg n LEU 203 Cb 0.52 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.24 2aeg n LEU 203 CO 0.33 0.00 -0.38 0.42 -1.22 0.00 0.00 177.39 176.55 2aeg s THR 204 N -2.58 3.30 0.43 -5.08 -4.23 -1.26 -5.01 115.64 101.20 2aeg s THR 204 Ca -0.03 -1.74 0.13 0.00 -1.18 0.00 0.00 61.69 58.87 2aeg s THR 204 Cb 0.06 -2.68 0.18 0.00 1.34 0.00 0.00 72.50 71.40 2aeg s THR 204 CO 0.37 -0.20 1.97 -0.09 -0.54 0.00 0.00 174.62 176.13 2aeg h ARG 205 N 2.56 0.07 -0.18 3.99 2.43 -2.00 -2.05 114.38 119.19 2aeg h ARG 205 Ca -0.46 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.59 2aeg h ARG 205 Cb 1.22 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 2aeg h ARG 205 CO 0.57 0.23 -0.37 1.05 -1.51 0.00 0.00 179.97 179.94 2aeg h GLU 206 N 0.06 0.38 -0.23 0.20 9.09 -2.00 -2.19 114.58 119.89 2aeg h GLU 206 Ca 0.01 -0.17 -0.19 0.00 0.05 0.00 0.00 59.36 59.06 2aeg h GLU 206 Cb 0.33 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.43 2aeg h GLU 206 CO 0.02 0.70 -0.61 0.93 0.05 0.00 0.00 179.01 180.10 2aeg h GLU 207 N 0.32 0.81 -0.86 1.06 5.08 -1.80 -2.90 114.58 116.30 2aeg h GLU 207 Ca 0.03 -0.57 -0.01 0.00 -1.00 0.00 0.00 59.36 57.81 2aeg h GLU 207 Cb 0.80 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.10 2aeg h GLU 207 CO 0.06 1.20 0.49 1.79 -1.00 0.00 0.00 179.01 181.54 2aeg h THR 208 N 0.57 1.25 -0.53 1.13 1.35 -1.16 -2.11 112.91 113.40 2aeg h THR 208 Ca -0.01 -0.59 -0.04 0.00 -0.55 0.00 0.00 66.41 65.22 2aeg h THR 208 Cb 1.23 0.07 -0.02 0.00 -1.73 0.00 0.00 68.15 67.69 2aeg h THR 208 CO 0.13 0.27 0.17 -0.33 -0.25 0.00 0.00 175.52 175.51 2aeg h GLU 209 N 1.20 0.82 -0.75 4.72 4.39 -1.39 -2.61 114.58 120.95 2aeg h GLU 209 Ca 0.30 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.84 2aeg h GLU 209 Cb 0.00 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.49 2aeg h GLU 209 CO -0.05 0.75 0.50 0.82 -1.16 0.00 0.00 179.01 179.86 2aeg h ILE 210 N 0.72 1.18 0.00 3.13 1.08 -1.26 -1.45 117.51 120.91 2aeg h ILE 210 Ca 0.17 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 2aeg h ILE 210 Cb 0.27 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.11 2aeg h ILE 210 CO -0.01 0.18 0.00 1.87 -0.69 0.00 0.00 178.15 179.51 2aeg n TRP 211 N -4.43 0.00 0.00 1.37 -0.00 -0.83 -2.10 117.44 111.45 2aeg n TRP 211 Ca 0.08 -0.49 0.00 0.00 -0.00 0.00 0.00 57.50 57.09 2aeg n TRP 211 Cb 0.05 -0.28 0.00 0.00 -0.00 0.00 0.00 31.31 31.08 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 0.88 0.00 -1.45 5.87 1.74 -0.55 -4.78 116.66 118.36 2aeg n ARG 213 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 2aeg n ARG 213 Cb 0.39 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.83 2aeg n ARG 213 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2aeg n ALA 214 N -1.63 -1.62 -1.02 7.54 0.00 -0.89 -4.86 120.51 118.02 2aeg n ALA 214 Ca 0.00 0.23 -0.33 0.00 0.00 0.00 0.00 53.44 53.35 2aeg n ALA 214 Cb 0.00 -1.76 0.13 0.00 0.00 0.00 0.00 19.45 17.82 2aeg n ALA 214 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2aeg s PRO 215 N -1.44 1.54 0.20 0.00 0.04 -1.26 -4.48 135.00 129.60 2aeg s PRO 215 Ca 0.62 1.65 -0.12 0.00 0.04 0.00 0.00 61.00 63.20 2aeg s PRO 215 Cb -0.67 -1.78 0.25 0.00 0.04 0.00 0.00 34.50 32.35 2aeg s PRO 215 CO 0.58 -2.27 1.67 2.35 0.04 0.00 0.00 177.00 179.38 2aeg h TRP 216 N -1.15 -0.05 -1.03 0.56 -0.00 -1.91 0.36 115.95 112.72 2aeg h TRP 216 Ca -0.45 0.04 0.27 0.00 -0.00 0.00 0.00 58.89 58.75 2aeg h TRP 216 Cb 1.28 0.11 -0.08 0.00 -0.00 0.00 0.00 29.16 30.47 2aeg h TRP 216 CO 0.49 -0.15 0.68 -0.44 -0.00 0.00 0.00 178.44 179.02 2aeg h ASP 217 N 0.11 0.34 0.00 2.65 3.32 -1.96 0.29 116.42 121.18 2aeg h ASP 217 Ca 0.29 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.39 2aeg h ASP 217 Cb 0.46 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 2aeg h ASP 217 CO -0.49 0.08 -0.43 -0.08 -1.72 0.00 0.00 179.24 176.60 2aeg h GLU 218 N 0.31 0.00 -0.96 3.56 4.81 -1.59 -3.39 114.58 117.32 2aeg h GLU 218 Ca 0.56 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 60.02 2aeg h GLU 218 Cb 1.58 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.89 2aeg h GLU 218 CO -0.21 0.06 0.64 0.00 -0.73 0.00 0.00 179.01 178.77 2aeg h ALA 219 N -0.96 2.32 0.00 2.92 0.00 -0.74 -0.31 119.26 122.49 2aeg h ALA 219 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2aeg h ALA 219 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2aeg h ALA 219 CO -0.01 -0.64 0.00 0.36 0.00 0.00 0.00 179.25 178.96 2aeg n LYS 220 N -4.50 0.01 0.00 0.00 2.85 0.99 -2.06 118.16 115.45 2aeg n LYS 220 Ca 0.21 0.37 0.12 0.00 -1.05 0.00 0.00 58.31 57.96 2aeg n LYS 220 Cb 0.80 -1.50 0.58 0.00 -0.65 0.00 0.00 35.03 34.26 2aeg n LYS 220 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2aeg n HIS 221 N -1.48 0.00 0.89 5.58 8.25 -0.13 -2.59 115.22 125.75 2aeg n HIS 221 Ca 0.02 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.61 2aeg n HIS 221 Cb 0.08 -0.43 0.41 0.00 1.12 0.00 0.00 29.99 31.17 2aeg n HIS 221 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2aeg n LEU 222 N -1.43 0.36 -2.29 2.41 4.77 -0.88 -4.29 117.00 115.64 2aeg n LEU 222 Ca 0.08 0.32 -0.11 0.00 -0.03 0.00 0.00 56.01 56.27 2aeg n LEU 222 Cb 0.27 -0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 40.90 2aeg n LEU 222 CO 0.22 0.01 1.45 0.00 -1.33 0.00 0.00 177.39 177.74 2aeg n ALA 223 N -1.58 4.81 -2.44 -1.18 0.00 -1.07 -4.78 120.51 114.27 2aeg n ALA 223 Ca 0.06 -1.41 -0.24 0.00 0.00 0.00 0.00 53.44 51.85 2aeg n ALA 223 Cb 0.36 -2.40 -0.11 0.00 0.00 0.00 0.00 19.45 17.30 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 1.81 1.45 0.41 0.00 1.70 -1.26 -4.91 118.95 118.15 2aeg s ARG 224 Ca 0.46 -1.55 -0.25 0.00 -0.47 0.00 0.00 55.73 53.93 2aeg s ARG 224 Cb 0.21 -1.57 -0.08 0.00 -0.57 0.00 0.00 34.95 32.93 2aeg s ARG 224 CO -0.01 0.32 1.14 -1.25 -1.08 0.00 0.00 175.30 174.42 2aeg s PRO 225 N -3.00 4.02 0.60 3.89 0.04 -1.26 -4.68 135.00 134.60 2aeg s PRO 225 Ca 0.21 1.76 -0.16 0.00 0.04 0.00 0.00 61.00 62.85 2aeg s PRO 225 Cb -0.06 -2.60 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 2aeg s PRO 225 CO 0.10 -0.32 1.07 -0.51 0.04 0.00 0.00 177.00 177.37 2aeg s LEU 226 N -2.62 3.52 0.95 -3.56 1.43 -1.26 -5.00 118.68 112.14 2aeg s LEU 226 Ca 0.58 1.89 -0.12 0.00 -1.03 0.00 0.00 54.13 55.45 2aeg s LEU 226 Cb -0.28 -4.54 0.07 0.00 0.03 0.00 0.00 46.19 41.46 2aeg s LEU 226 CO 0.35 -1.25 0.57 -2.65 0.23 0.00 0.00 176.35 173.61 2aeg n PRO 227 N -1.99 -0.42 -0.03 1.29 -0.02 -1.26 -4.79 135.00 127.78 2aeg n PRO 227 Ca 0.09 -0.08 -0.02 0.00 -2.02 0.00 0.00 63.50 61.48 2aeg n PRO 227 Cb 0.52 -1.98 0.25 0.00 -0.02 0.00 0.00 33.50 32.27 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 -1.68 0.57 -0.33 2.55 2.35 -1.97 -2.85 115.58 114.22 2aeg h ASN 228 Ca -0.44 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.19 2aeg h ASN 228 Cb 1.28 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.50 2aeg h ASN 228 CO 0.36 0.66 0.00 -0.90 -1.65 0.00 0.00 177.43 175.90 2aeg n ASP 229 N -4.24 2.10 0.15 5.81 5.68 -1.26 -4.12 116.55 120.67 2aeg n ASP 229 Ca 0.02 -1.90 0.02 0.00 -0.50 0.00 0.00 54.79 52.43 2aeg n ASP 229 Cb 0.28 -0.22 0.18 0.00 -1.14 0.00 0.00 41.12 40.22 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 3.90 0.83 -1.39 2.12 0.00 -1.85 -3.46 119.26 119.41 2aeg h ALA 230 Ca 0.00 -0.47 -0.59 0.00 0.00 0.00 0.00 54.91 53.85 2aeg h ALA 230 Cb 0.55 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.13 2aeg h ALA 230 CO 0.00 0.65 -0.56 -0.51 0.00 0.00 0.00 179.25 178.83 2aeg s LEU 231 N -6.95 2.36 0.17 0.00 1.43 -1.26 -4.70 118.68 109.74 2aeg s LEU 231 Ca 0.01 -1.51 -0.00 0.00 -1.03 0.00 0.00 54.13 51.59 2aeg s LEU 231 Cb 0.10 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.72 2aeg s LEU 231 CO 0.73 -0.70 0.08 0.27 0.23 0.00 0.00 176.35 176.96 2aeg s ILE 232 N -3.01 0.21 -0.67 -0.59 -4.36 -0.42 -4.99 121.20 107.37 2aeg s ILE 232 Ca 0.25 -1.96 -0.16 0.00 -0.26 0.00 0.00 60.65 58.52 2aeg s ILE 232 Cb 0.06 -2.27 0.16 0.00 1.25 0.00 0.00 42.46 41.66 2aeg s ILE 232 CO 0.13 -0.26 0.65 -0.63 0.24 0.00 0.00 174.94 175.06 2aeg s ILE 233 N -3.99 5.29 0.23 8.37 1.01 -1.26 -2.21 121.20 128.63 2aeg s ILE 233 Ca 0.30 -1.79 -0.05 0.00 0.00 0.00 0.00 60.65 59.11 2aeg s ILE 233 Cb 0.07 -4.42 0.11 0.00 0.01 0.00 0.00 42.46 38.22 2aeg s ILE 233 CO 0.07 -0.99 1.73 0.25 0.00 0.00 0.00 174.94 176.00 2aeg h LEU 234 N 8.69 0.91 -7.34 2.97 6.46 -1.25 -3.48 115.31 122.28 2aeg h LEU 234 Ca -0.13 -0.22 0.24 0.00 -0.12 0.00 0.00 57.88 57.64 2aeg h LEU 234 Cb 1.07 -0.24 -0.12 0.00 -0.73 0.00 0.00 40.66 40.65 2aeg h LEU 234 CO 0.95 0.94 0.66 -0.94 -0.62 0.00 0.00 178.44 179.42 2aeg s SER 235 N -6.58 -0.15 -0.21 1.25 1.04 -1.13 -5.01 113.70 102.91 2aeg s SER 235 Ca -0.11 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.12 2aeg s SER 235 Cb 0.15 0.31 0.06 0.00 0.10 0.00 0.00 66.02 66.63 2aeg s SER 235 CO 0.83 -0.56 -0.04 -0.13 0.98 0.00 0.00 173.24 174.32 2aeg s ARG 236 N -2.83 1.48 0.25 4.02 0.52 -1.26 0.32 118.95 121.44 2aeg s ARG 236 Ca 0.12 -0.82 0.11 0.00 -0.52 0.00 0.00 55.73 54.62 2aeg s ARG 236 Cb 0.01 -2.41 -0.05 0.00 0.52 0.00 0.00 34.95 33.02 2aeg s ARG 236 CO -0.02 -0.57 -0.15 -1.21 0.02 0.00 0.00 175.30 173.37 2aeg s GLU 237 N 1.50 1.84 0.94 3.54 2.02 -0.43 -4.96 118.70 123.14 2aeg s GLU 237 Ca -0.04 -1.59 -0.13 0.00 0.02 0.00 0.00 54.97 53.24 2aeg s GLU 237 Cb -0.18 -1.92 0.15 0.00 0.10 0.00 0.00 34.13 32.29 2aeg s GLU 237 CO -0.07 0.36 1.13 -1.25 0.02 0.00 0.00 175.26 175.46 2aeg s PRO 238 N -3.33 0.93 0.27 0.39 0.04 -1.26 -0.20 135.00 131.84 2aeg s PRO 238 Ca 0.28 0.29 -0.30 0.00 0.04 0.00 0.00 61.00 61.32 2aeg s PRO 238 Cb -0.06 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.56 2aeg s PRO 238 CO 0.15 -2.34 1.36 -0.47 0.04 0.00 0.00 177.00 175.74 2aeg s TYR 239 N -3.23 3.07 0.00 0.56 6.14 -1.26 -2.32 117.35 120.31 2aeg s TYR 239 Ca 0.64 1.21 0.00 0.00 0.64 0.00 0.00 57.07 59.57 2aeg s TYR 239 Cb -0.15 -3.73 0.00 0.00 0.42 0.00 0.00 41.96 38.50 2aeg s TYR 239 CO 0.54 -2.21 0.00 0.41 0.64 0.00 0.00 175.55 174.93 2aeg n GLY 240 N 1.68 1.02 3.68 8.97 0.00 -1.26 -5.02 105.19 114.25 2aeg n GLY 240 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2aeg n GLY 240 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2aeg s SER 241 N -2.82 6.62 0.10 1.61 0.15 -0.98 -4.99 113.70 113.39 2aeg s SER 241 Ca 0.00 2.41 0.06 0.00 0.70 0.00 0.00 55.95 59.12 2aeg s SER 241 Cb 0.00 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.72 2aeg s SER 241 CO 0.00 -0.90 -0.16 -0.55 1.20 0.00 0.00 173.24 172.83 2aeg s SER 242 N 2.81 2.07 -0.01 5.45 0.15 -1.26 -5.02 113.70 117.89 2aeg s SER 242 Ca 0.74 -0.71 0.18 0.00 0.70 0.00 0.00 55.95 56.87 2aeg s SER 242 Cb -0.38 -0.09 -0.20 0.00 -1.71 0.00 0.00 66.02 63.65 2aeg s SER 242 CO 0.32 -0.06 0.59 2.30 1.20 0.00 0.00 173.24 177.59 2aeg n ILE 243 N 0.94 0.96 1.35 6.45 -5.35 -1.26 -5.21 119.36 117.25 2aeg n ILE 243 Ca -0.18 -0.68 0.13 0.00 -0.27 0.00 0.00 62.75 61.75 2aeg n ILE 243 Cb 0.55 -0.51 0.40 0.00 -1.74 0.00 0.00 39.64 38.35 2aeg n ILE 243 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34