#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yta s ALA 2 N 0.00 3.58 -0.07 -0.43 0.00 -1.05 -4.63 121.76 119.16 1yta s ALA 2 Ca 0.00 1.04 0.01 0.00 0.00 0.00 0.00 51.96 53.01 1yta s ALA 2 Cb 0.00 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.58 1yta s ALA 2 CO 0.00 -0.71 -0.08 1.21 0.00 0.00 0.00 175.76 176.17 1yta s ASN 3 N 1.40 1.67 0.44 0.00 3.84 -0.89 -4.87 114.94 116.54 1yta s ASN 3 Ca 0.64 -0.24 0.22 0.00 0.21 0.00 0.00 52.86 53.69 1yta s ASN 3 Cb -0.35 -0.71 1.18 0.00 -0.55 0.00 0.00 41.25 40.82 1yta s ASN 3 CO 0.29 -0.04 1.62 1.05 -2.79 0.00 0.00 177.10 177.23 1yta h GLU 4 N 7.44 0.00 -0.00 0.43 4.11 -1.95 -0.93 114.58 123.68 1yta h GLU 4 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 1yta h GLU 4 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1yta h GLU 4 CO 0.44 0.00 -0.71 0.09 0.07 0.00 0.00 179.01 178.90 1yta n ASN 5 N -2.39 0.87 -4.76 3.06 3.02 -1.26 -4.74 115.26 109.07 1yta n ASN 5 Ca -0.01 -0.73 -0.36 0.00 -0.03 0.00 0.00 54.58 53.44 1yta n ASN 5 Cb 0.25 0.61 0.03 0.00 -0.61 0.00 0.00 39.78 40.06 1yta n ASN 5 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1yta s ASN 6 N -2.93 5.30 -0.09 6.41 0.01 -0.35 -3.70 114.94 119.59 1yta s ASN 6 Ca 0.11 2.40 -0.01 0.00 -0.71 0.00 0.00 52.86 54.65 1yta s ASN 6 Cb 0.17 -2.60 -0.03 0.00 0.41 0.00 0.00 41.25 39.20 1yta s ASN 6 CO 0.76 -1.52 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.02 1yta s LEU 7 N -3.93 3.29 -0.29 0.60 1.43 -0.18 -4.57 118.68 115.03 1yta s LEU 7 Ca 0.76 0.00 -0.12 0.00 -1.03 0.00 0.00 54.13 53.74 1yta s LEU 7 Cb -0.31 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1yta s LEU 7 CO 0.34 0.33 0.22 -0.63 0.23 0.00 0.00 176.35 176.84 1yta s ILE 8 N -0.62 5.29 -0.12 -0.59 1.01 -1.26 -1.87 121.20 123.04 1yta s ILE 8 Ca 0.10 0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.86 1yta s ILE 8 Cb -0.12 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1yta s ILE 8 CO 0.02 0.21 0.03 0.26 0.00 0.00 0.00 174.94 175.46 1yta s TRP 9 N 1.79 3.24 0.02 3.97 0.52 0.55 -1.79 118.94 127.24 1yta s TRP 9 Ca 0.08 0.17 -0.04 0.00 0.02 0.00 0.00 56.10 56.33 1yta s TRP 9 Cb -0.16 -1.89 -0.01 0.00 -1.15 0.00 0.00 33.47 30.25 1yta s TRP 9 CO 0.11 0.39 0.06 -1.50 0.02 0.00 0.00 176.95 176.03 1yta s ILE 10 N -0.51 0.12 -0.15 2.03 2.07 -0.52 -1.22 121.20 123.02 1yta s ILE 10 Ca 0.10 -0.97 -0.06 0.00 -1.41 0.00 0.00 60.65 58.30 1yta s ILE 10 Cb -0.12 -0.60 0.06 0.00 0.13 0.00 0.00 42.46 41.94 1yta s ILE 10 CO 0.02 -0.53 0.32 -0.62 -1.91 0.00 0.00 174.94 172.22 1yta s ASP 11 N -1.75 -0.11 0.40 4.50 2.15 -0.69 -4.64 116.67 116.52 1yta s ASP 11 Ca -0.11 0.72 0.08 0.00 0.43 0.00 0.00 52.55 53.67 1yta s ASP 11 Cb -0.05 0.77 -0.06 0.00 -0.30 0.00 0.00 42.92 43.28 1yta s ASP 11 CO -0.02 -0.21 0.13 -0.76 -0.17 0.00 0.00 175.17 174.14 1yta s LEU 12 N 1.94 3.06 0.29 -1.34 1.43 -1.26 -1.86 118.68 120.94 1yta s LEU 12 Ca -0.04 -1.10 0.02 0.00 -1.03 0.00 0.00 54.13 51.98 1yta s LEU 12 Cb -0.11 -1.35 -0.06 0.00 0.03 0.00 0.00 46.19 44.71 1yta s LEU 12 CO -0.10 -0.47 0.08 -1.61 0.23 0.00 0.00 176.35 174.48 1yta s GLU 13 N -3.84 1.53 -0.01 1.70 0.41 -0.63 -4.96 118.70 112.90 1yta s GLU 13 Ca 0.39 -1.84 0.14 0.00 -0.41 0.00 0.00 54.97 53.25 1yta s GLU 13 Cb 0.04 -0.53 -0.18 0.00 -1.78 0.00 0.00 34.13 31.68 1yta s GLU 13 CO 0.21 -0.25 0.49 0.25 -0.49 0.00 0.00 175.26 175.47 1yta n THR 15 N -0.57 0.00 -3.91 3.63 -2.24 -0.15 -0.47 114.28 110.58 1yta n THR 15 Ca -0.01 -0.23 0.01 0.00 -2.27 0.00 0.00 64.05 61.55 1yta n THR 15 Cb 0.66 0.69 0.01 0.00 -2.10 0.00 0.00 70.33 69.59 1yta n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yta n GLY 16 N 1.46 0.46 0.00 3.38 0.00 -1.26 -4.36 105.19 104.87 1yta n GLY 16 Ca 0.01 -1.00 0.12 0.00 0.00 0.00 0.00 46.02 45.15 1yta n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yta n LEU 17 N 0.00 0.39 -4.39 0.99 4.77 -1.26 -4.81 117.00 112.69 1yta n LEU 17 Ca 0.02 0.14 -0.44 0.00 -0.03 0.00 0.00 56.01 55.70 1yta n LEU 17 Cb 0.39 -0.31 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 1yta n LEU 17 CO 0.11 0.08 -0.00 -0.62 -1.33 0.00 0.00 177.39 175.63 1yta s ASP 18 N -3.09 6.10 0.40 -1.43 -1.08 -1.26 -4.97 116.67 111.34 1yta s ASP 18 Ca 0.11 -1.25 0.16 0.00 -0.52 0.00 0.00 52.55 51.06 1yta s ASP 18 Cb 0.18 -2.16 1.04 0.00 -1.46 0.00 0.00 42.92 40.51 1yta s ASP 18 CO 0.66 -0.59 1.84 -0.65 0.52 0.00 0.00 175.17 176.95 1yta h PRO 19 N 8.70 0.45 0.00 4.34 0.11 -1.87 1.65 132.00 145.37 1yta h PRO 19 Ca -0.28 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.75 1yta h PRO 19 Cb 1.11 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1yta h PRO 19 CO 0.84 0.29 -0.25 0.93 -0.21 0.00 0.00 178.00 179.60 1yta h GLU 20 N 0.46 0.00 0.00 1.05 5.08 -1.97 -3.35 114.58 115.86 1yta h GLU 20 Ca 0.49 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.82 1yta h GLU 20 Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1yta h GLU 20 CO -0.21 0.25 -1.35 -2.13 -1.00 0.00 0.00 179.01 174.58 1yta n ARG 21 N -3.22 0.87 -3.59 2.33 0.63 -0.28 -5.06 116.66 108.34 1yta n ARG 21 Ca 0.02 -0.05 -0.21 0.00 -0.92 0.00 0.00 57.85 56.69 1yta n ARG 21 Cb 0.57 -1.16 -0.03 0.00 0.45 0.00 0.00 32.46 32.29 1yta n ARG 21 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1yta s ASP 22 N -3.04 5.00 0.16 6.15 1.01 0.55 -5.01 116.67 121.49 1yta s ASP 22 Ca -0.03 -0.79 0.04 0.00 0.71 0.00 0.00 52.55 52.48 1yta s ASP 22 Cb 0.04 -0.49 -0.05 0.00 1.01 0.00 0.00 42.92 43.44 1yta s ASP 22 CO 0.28 -0.69 -0.07 -0.13 0.21 0.00 0.00 175.17 174.77 1yta s ARG 23 N -4.14 1.08 0.10 8.23 1.81 -1.26 -4.69 118.95 120.07 1yta s ARG 23 Ca 0.47 -1.48 -0.29 0.00 -1.72 0.00 0.00 55.73 52.72 1yta s ARG 23 Cb -0.03 -0.54 -0.06 0.00 -0.45 0.00 0.00 34.95 33.88 1yta s ARG 23 CO 0.28 0.02 0.91 0.42 -0.68 0.00 0.00 175.30 176.25 1yta s ILE 24 N -3.41 4.53 0.00 1.52 1.01 -1.26 -0.97 121.20 122.61 1yta s ILE 24 Ca 0.19 1.97 0.00 0.00 0.00 0.00 0.00 60.65 62.80 1yta s ILE 24 Cb 0.04 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1yta s ILE 24 CO 0.01 0.34 0.13 2.30 0.00 0.00 0.00 174.94 177.72 1yta n ILE 25 N 2.71 0.00 -3.66 2.92 -5.35 0.38 -4.65 119.36 111.72 1yta n ILE 25 Ca 0.01 -0.47 -0.15 0.00 -0.27 0.00 0.00 62.75 61.88 1yta n ILE 25 Cb 0.49 1.02 -0.08 0.00 -1.74 0.00 0.00 39.64 39.33 1yta n ILE 25 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1yta s GLU 26 N -0.67 0.75 -0.06 6.28 2.12 -1.05 0.40 118.70 126.47 1yta s GLU 26 Ca 0.00 0.43 -0.04 0.00 0.36 0.00 0.00 54.97 55.72 1yta s GLU 26 Cb 0.00 0.36 0.03 0.00 0.26 0.00 0.00 34.13 34.77 1yta s GLU 26 CO 0.00 -0.16 0.16 -1.50 -0.54 0.00 0.00 175.26 173.21 1yta s ILE 27 N -0.44 -0.02 -0.02 -3.70 2.07 -0.45 -1.61 121.20 117.03 1yta s ILE 27 Ca -0.06 0.09 -0.02 0.00 -1.41 0.00 0.00 60.65 59.25 1yta s ILE 27 Cb -0.03 -0.24 0.00 0.00 0.13 0.00 0.00 42.46 42.32 1yta s ILE 27 CO 0.04 0.04 0.06 0.00 -1.91 0.00 0.00 174.94 173.17 1yta s ALA 28 N 0.64 -0.16 0.07 1.50 0.00 -0.78 -0.88 121.76 122.16 1yta s ALA 28 Ca -0.05 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.05 1yta s ALA 28 Cb -0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1yta s ALA 28 CO -0.03 -0.05 -0.06 0.95 0.00 0.00 0.00 175.76 176.56 1yta s THR 29 N -0.14 0.57 0.01 0.00 -4.23 -1.26 -1.71 115.64 108.89 1yta s THR 29 Ca -0.02 -1.61 -0.15 0.00 -1.18 0.00 0.00 61.69 58.73 1yta s THR 29 Cb -0.01 -1.27 0.02 0.00 1.34 0.00 0.00 72.50 72.58 1yta s THR 29 CO 0.00 -0.72 0.32 -0.22 -0.54 0.00 0.00 174.62 173.47 1yta s LEU 30 N -2.51 0.80 -0.05 4.79 0.20 -0.36 -0.20 118.68 121.35 1yta s LEU 30 Ca 0.03 0.01 0.05 0.00 0.69 0.00 0.00 54.13 54.92 1yta s LEU 30 Cb 0.00 1.35 -0.01 0.00 -0.43 0.00 0.00 46.19 47.11 1yta s LEU 30 CO -0.04 -0.51 -0.21 -0.69 -0.29 0.00 0.00 176.35 174.61 1yta s VAL 31 N -1.75 1.73 0.29 1.68 1.01 -0.05 -0.33 120.40 122.97 1yta s VAL 31 Ca -0.10 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.07 1yta s VAL 31 Cb -0.03 -1.47 -0.06 0.00 0.00 0.00 0.00 36.38 34.82 1yta s VAL 31 CO 0.02 0.49 -0.10 0.42 0.00 0.00 0.00 175.10 175.93 1yta s THR 32 N -0.10 1.93 0.89 3.92 -4.23 -0.78 -0.63 115.64 116.63 1yta s THR 32 Ca -0.03 -2.20 -0.10 0.00 -1.18 0.00 0.00 61.69 58.19 1yta s THR 32 Cb -0.12 -2.42 0.19 0.00 1.34 0.00 0.00 72.50 71.49 1yta s THR 32 CO 0.03 -0.33 1.21 1.51 -0.54 0.00 0.00 174.62 176.50 1yta s ASP 33 N -3.48 3.44 0.59 3.99 1.47 0.26 -1.01 116.67 121.94 1yta s ASP 33 Ca 0.29 -0.09 0.29 0.00 1.18 0.00 0.00 52.55 54.23 1yta s ASP 33 Cb 0.02 -0.02 1.64 0.00 -0.34 0.00 0.00 42.92 44.22 1yta s ASP 33 CO 0.13 -2.49 2.06 0.00 0.68 0.00 0.00 175.17 175.54 1yta h ALA 34 N -1.26 1.84 -0.57 2.11 0.00 -1.91 -0.53 119.26 118.93 1yta h ALA 34 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1yta h ALA 34 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1yta h ALA 34 CO 0.35 -0.38 0.00 0.09 0.00 0.00 0.00 179.25 179.32 1yta n ASN 35 N -3.72 5.55 -0.11 0.00 3.02 -1.26 -4.94 115.26 113.80 1yta n ASN 35 Ca 0.03 -2.86 -0.01 0.00 -0.03 0.00 0.00 54.58 51.70 1yta n ASN 35 Cb 0.39 -0.67 -0.01 0.00 -0.61 0.00 0.00 39.78 38.88 1yta n ASN 35 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1yta n LEU 36 N 0.67 0.15 -4.71 3.41 4.77 -0.21 -5.00 117.00 116.09 1yta n LEU 36 Ca 0.27 0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.87 1yta n LEU 36 Cb 1.15 -1.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1yta n LEU 36 CO 0.31 -0.33 0.73 0.20 -1.33 0.00 0.00 177.39 176.97 1yta s ASN 37 N -2.20 7.30 -0.13 -1.43 0.01 -1.26 -4.76 114.94 112.47 1yta s ASN 37 Ca 0.00 1.70 -0.29 0.00 -0.71 0.00 0.00 52.86 53.56 1yta s ASN 37 Cb 0.00 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 39.06 1yta s ASN 37 CO 0.00 -0.32 1.43 -0.63 -1.51 0.00 0.00 177.10 176.07 1yta s ILE 38 N 1.17 3.98 -0.17 0.60 1.01 -1.26 -0.58 121.20 125.96 1yta s ILE 38 Ca 0.53 1.18 -0.13 0.00 0.00 0.00 0.00 60.65 62.23 1yta s ILE 38 Cb -0.22 -3.79 -0.22 0.00 0.01 0.00 0.00 42.46 38.24 1yta s ILE 38 CO 0.27 -0.13 0.24 0.18 0.00 0.00 0.00 174.94 175.50 1yta n LEU 39 N 6.96 2.31 -3.65 2.97 4.77 0.20 -4.94 117.00 125.62 1yta n LEU 39 Ca 0.15 0.29 -0.15 0.00 -0.03 0.00 0.00 56.01 56.27 1yta n LEU 39 Cb 0.44 -1.04 -0.08 0.00 -2.33 0.00 0.00 43.42 40.42 1yta n LEU 39 CO 0.59 0.61 0.28 0.00 -1.33 0.00 0.00 177.39 177.54 1yta s ALA 40 N -2.48 -1.42 -0.15 -1.18 0.00 -1.09 -5.03 121.76 110.41 1yta s ALA 40 Ca -0.26 1.31 -0.04 0.00 0.00 0.00 0.00 51.96 52.97 1yta s ALA 40 Cb 0.07 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 1yta s ALA 40 CO 0.68 -0.30 -0.02 -1.21 0.00 0.00 0.00 175.76 174.91 1yta s GLU 41 N -0.42 3.60 0.27 0.00 2.02 -1.26 -0.87 118.70 122.04 1yta s GLU 41 Ca -0.06 -0.48 -0.03 0.00 0.02 0.00 0.00 54.97 54.42 1yta s GLU 41 Cb -0.03 -2.93 0.06 0.00 0.10 0.00 0.00 34.13 31.33 1yta s GLU 41 CO 0.04 0.32 0.37 0.41 0.02 0.00 0.00 175.26 176.41 1yta n GLY 42 N 3.32 -0.36 3.77 -1.39 0.00 0.72 -4.99 105.19 106.27 1yta n GLY 42 Ca -0.17 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 43.65 1yta n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1yta s PRO 43 N -3.60 4.48 -0.32 1.61 0.04 -1.26 -4.68 135.00 131.27 1yta s PRO 43 Ca 0.22 1.54 -0.12 0.00 0.04 0.00 0.00 61.00 62.68 1yta s PRO 43 Cb -0.01 -2.86 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 1yta s PRO 43 CO 0.15 0.14 0.22 0.99 0.04 0.00 0.00 177.00 178.54 1yta s THR 44 N -1.47 5.26 -0.10 1.26 2.01 -1.26 -4.09 115.64 117.25 1yta s THR 44 Ca 0.50 -0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.44 1yta s THR 44 Cb -0.24 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.64 1yta s THR 44 CO 0.30 0.08 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.47 1yta s ILE 45 N 1.73 1.92 -0.21 1.82 1.01 -0.06 -4.99 121.20 122.43 1yta s ILE 45 Ca 0.06 -0.93 -0.25 0.00 0.00 0.00 0.00 60.65 59.53 1yta s ILE 45 Cb -0.17 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 1yta s ILE 45 CO 0.10 0.53 0.85 0.00 0.00 0.00 0.00 174.94 176.43 1yta s ALA 46 N 0.49 3.59 -0.21 9.38 0.00 -1.26 -1.34 121.76 132.42 1yta s ALA 46 Ca -0.16 -0.02 -0.22 0.00 0.00 0.00 0.00 51.96 51.56 1yta s ALA 46 Cb -0.17 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 1yta s ALA 46 CO 0.06 -0.82 0.70 0.08 0.00 0.00 0.00 175.76 175.78 1yta s VAL 47 N 2.57 4.96 0.25 0.00 1.01 0.16 -4.78 120.40 124.58 1yta s VAL 47 Ca 0.37 1.33 -0.30 0.00 0.00 0.00 0.00 61.98 63.38 1yta s VAL 47 Cb -0.16 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.11 1yta s VAL 47 CO 0.09 0.06 1.46 -2.28 0.00 0.00 0.00 175.10 174.43 1yta s HIS 48 N 2.17 2.99 0.02 5.22 5.04 -1.26 -4.51 115.29 124.96 1yta s HIS 48 Ca 0.31 1.00 -0.01 0.00 -1.54 0.00 0.00 55.06 54.82 1yta s HIS 48 Cb -0.16 -3.85 -0.02 0.00 0.04 0.00 0.00 32.58 28.59 1yta s HIS 48 CO 0.10 -2.78 -0.01 -0.65 -2.34 0.00 0.00 174.74 169.06 1yta s GLN 49 N -0.39 0.34 0.96 2.88 -1.52 -1.26 -4.48 119.66 116.19 1yta s GLN 49 Ca 0.60 -0.62 -0.11 0.00 -1.95 0.00 0.00 55.36 53.28 1yta s GLN 49 Cb -0.43 0.12 0.17 0.00 -0.22 0.00 0.00 33.01 32.66 1yta s GLN 49 CO 0.44 -0.06 1.10 -1.54 -0.25 0.00 0.00 175.29 174.98 1yta s SER 50 N -1.53 2.72 0.44 5.90 1.04 -1.26 -4.78 113.70 116.23 1yta s SER 50 Ca -0.15 1.83 0.16 0.00 0.48 0.00 0.00 55.95 58.27 1yta s SER 50 Cb -0.09 -2.41 1.00 0.00 0.10 0.00 0.00 66.02 64.62 1yta s SER 50 CO -0.01 -3.16 1.96 0.44 0.98 0.00 0.00 173.24 173.44 1yta h ASP 51 N -1.91 0.00 -0.12 7.02 3.32 -2.00 -2.05 116.42 120.68 1yta h ASP 51 Ca -0.49 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.48 1yta h ASP 51 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1yta h ASP 51 CO 0.48 0.23 -0.23 -0.33 -1.72 0.00 0.00 179.24 177.66 1yta h GLU 52 N 0.00 0.37 -0.49 3.56 5.08 -1.99 -2.53 114.58 118.58 1yta h GLU 52 Ca -0.00 -0.24 0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1yta h GLU 52 Cb 0.42 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 1yta h GLU 52 CO 0.03 0.83 0.19 0.37 -1.00 0.00 0.00 179.01 179.43 1yta h GLN 53 N -0.04 0.37 0.00 2.33 5.75 -1.83 -0.23 115.11 121.46 1yta h GLN 53 Ca 0.01 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1yta h GLN 53 Cb 0.82 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.29 1yta h GLN 53 CO 0.05 0.24 -0.04 -0.07 -2.65 0.00 0.00 178.83 176.36 1yta h LEU 54 N 0.38 0.00 -0.04 -2.39 3.38 -1.33 -1.51 115.31 113.80 1yta h LEU 54 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1yta h LEU 54 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1yta h LEU 54 CO -0.22 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.35 1yta n ALA 55 N -2.36 2.09 -2.65 1.53 0.00 -0.11 -4.94 120.51 114.07 1yta n ALA 55 Ca -0.03 -0.07 -0.43 0.00 0.00 0.00 0.00 53.44 52.91 1yta n ALA 55 Cb 0.13 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1yta n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1yta n LEU 56 N -1.62 5.94 -4.44 0.00 4.77 -0.57 -5.10 117.00 115.98 1yta n LEU 56 Ca 0.06 -4.57 -0.21 0.00 -0.03 0.00 0.00 56.01 51.26 1yta n LEU 56 Cb 0.29 -1.54 -0.11 0.00 -2.33 0.00 0.00 43.42 39.73 1yta n LEU 56 CO 0.23 1.06 -0.30 1.51 -1.33 0.00 0.00 177.39 178.56 1yta s ASP 58 N 1.78 2.45 0.18 -1.43 1.47 -1.26 -5.02 116.67 114.84 1yta s ASP 58 Ca 0.41 -1.32 -0.17 0.00 1.18 0.00 0.00 52.55 52.66 1yta s ASP 58 Cb 0.03 -0.10 0.14 0.00 -0.34 0.00 0.00 42.92 42.65 1yta s ASP 58 CO 0.00 -0.53 1.64 0.44 0.68 0.00 0.00 175.17 177.40 1yta h ASP 59 N 2.18 -0.57 -0.69 2.11 3.32 -1.99 0.18 116.42 120.96 1yta h ASP 59 Ca -0.40 0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 1yta h ASP 59 Cb 1.24 0.35 -0.03 0.00 0.22 0.00 0.00 39.33 41.10 1yta h ASP 59 CO 0.69 -0.20 0.35 -0.25 -1.72 0.00 0.00 179.24 178.12 1yta h TRP 60 N -0.05 0.96 0.11 4.55 7.01 -2.00 -2.28 115.95 124.25 1yta h TRP 60 Ca 0.23 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.19 1yta h TRP 60 Cb 0.40 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.16 1yta h TRP 60 CO -0.45 0.70 -0.05 -0.91 -2.79 0.00 0.00 178.44 174.94 1yta h ASN 61 N 0.95 -0.12 -0.93 2.65 2.35 -1.70 -2.05 115.58 116.72 1yta h ASN 61 Ca 0.24 -0.32 0.08 0.00 -0.55 0.00 0.00 56.30 55.76 1yta h ASN 61 Cb 0.08 0.03 -0.07 0.00 0.05 0.00 0.00 38.32 38.41 1yta h ASN 61 CO -0.03 0.27 0.58 0.58 -1.65 0.00 0.00 177.43 177.17 1yta h VAL 62 N -0.53 1.00 -0.08 2.81 2.07 -0.99 -0.50 116.25 120.02 1yta h VAL 62 Ca -0.01 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1yta h VAL 62 Cb 0.43 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1yta h VAL 62 CO 0.02 0.18 -0.01 0.03 0.02 0.00 0.00 177.57 177.82 1yta h ARG 63 N 1.01 0.15 -0.09 1.57 3.08 -1.41 -1.38 114.38 117.30 1yta h ARG 63 Ca 0.43 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.42 1yta h ARG 63 Cb 0.28 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1yta h ARG 63 CO -0.21 0.44 0.04 1.15 -1.07 0.00 0.00 179.97 180.33 1yta h THR 64 N -0.16 1.12 0.00 2.04 2.02 -0.96 -1.96 112.91 115.01 1yta h THR 64 Ca 0.02 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1yta h THR 64 Cb 0.38 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1yta h THR 64 CO 0.01 0.10 -0.04 0.45 0.37 0.00 0.00 175.52 176.41 1yta h HIS 65 N 0.02 0.00 0.13 3.16 3.86 -1.17 -2.59 115.15 118.56 1yta h HIS 65 Ca 0.03 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.06 1yta h HIS 65 Cb 0.13 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.62 1yta h HIS 65 CO -0.03 0.04 -0.79 1.15 0.86 0.00 0.00 177.93 179.16 1yta h THR 66 N 0.00 1.52 -0.53 2.45 2.02 -1.16 -1.01 112.91 116.21 1yta h THR 66 Ca -0.00 -2.51 -0.00 0.00 0.77 0.00 0.00 66.41 64.67 1yta h THR 66 Cb 0.77 3.18 -0.03 0.00 -1.74 0.00 0.00 68.15 70.33 1yta h THR 66 CO 0.01 0.71 0.32 0.00 0.37 0.00 0.00 175.52 176.92 1yta h ALA 67 N 0.09 0.67 0.00 6.16 0.00 -1.35 -1.82 119.26 123.02 1yta h ALA 67 Ca -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1yta h ALA 67 Cb 1.61 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1yta h ALA 67 CO 0.15 0.16 0.00 0.66 0.00 0.00 0.00 179.25 180.22 1yta h SER 68 N 0.71 0.00 0.00 0.00 4.64 -1.58 -3.46 113.55 113.86 1yta h SER 68 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1yta h SER 68 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1yta h SER 68 CO -0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.53 1yta n GLY 69 N -0.39 0.81 0.29 -0.77 0.00 -0.68 -4.93 105.19 99.51 1yta n GLY 69 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1yta n GLY 69 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1yta h LEU 70 N 0.00 0.50 -0.87 0.99 5.85 -1.46 -2.28 115.31 118.05 1yta h LEU 70 Ca 0.00 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1yta h LEU 70 Cb 0.00 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1yta h LEU 70 CO 0.00 0.46 0.41 0.58 -0.34 0.00 0.00 178.44 179.56 1yta h VAL 71 N 0.55 1.26 -0.49 1.05 2.07 -1.58 0.25 116.25 119.36 1yta h VAL 71 Ca 0.14 -0.73 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 1yta h VAL 71 Cb 0.13 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 1yta h VAL 71 CO -0.01 0.31 -0.06 -0.33 0.02 0.00 0.00 177.57 177.50 1yta h GLU 72 N 1.22 0.91 -0.79 1.57 4.39 -1.73 -1.52 114.58 118.63 1yta h GLU 72 Ca 0.29 -0.32 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1yta h GLU 72 Cb 0.11 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 1yta h GLU 72 CO -0.04 0.97 0.43 0.00 -1.16 0.00 0.00 179.01 179.22 1yta h ARG 73 N 0.76 1.10 0.22 2.33 3.08 -0.87 -2.06 114.38 118.95 1yta h ARG 73 Ca 0.13 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1yta h ARG 73 Cb 0.60 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1yta h ARG 73 CO 0.04 0.81 -0.10 0.28 -1.07 0.00 0.00 179.97 179.93 1yta h VAL 74 N 1.09 0.82 -0.69 2.04 2.07 -0.28 0.10 116.25 121.41 1yta h VAL 74 Ca 0.28 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.73 1yta h VAL 74 Cb 0.03 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1yta h VAL 74 CO -0.04 0.04 0.46 0.11 0.02 0.00 0.00 177.57 178.15 1yta h LYS 75 N -0.37 0.58 0.00 1.57 1.57 -1.08 -2.12 116.57 116.72 1yta h LYS 75 Ca -0.03 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1yta h LYS 75 Cb 0.28 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1yta h LYS 75 CO 0.05 0.38 -0.86 0.00 -0.57 0.00 0.00 179.45 178.45 1yta h ALA 76 N 1.65 0.67 -2.53 3.86 0.00 -1.20 -3.47 119.26 118.23 1yta h ALA 76 Ca 0.31 -0.35 -0.57 0.00 0.00 0.00 0.00 54.91 54.30 1yta h ALA 76 Cb 0.44 0.07 0.12 0.00 0.00 0.00 0.00 17.79 18.42 1yta h ALA 76 CO -0.10 0.41 0.45 0.45 0.00 0.00 0.00 179.25 180.45 1yta n SER 77 N -2.93 2.47 -3.83 0.00 2.88 0.34 -5.09 113.62 107.47 1yta n SER 77 Ca -0.02 1.16 -0.34 0.00 -1.33 0.00 0.00 58.87 58.34 1yta n SER 77 Cb 0.67 -1.46 -0.05 0.00 -0.75 0.00 0.00 64.21 62.62 1yta n SER 77 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1yta n THR 78 N 0.11 3.30 -3.31 2.46 -2.24 -1.26 -4.65 114.28 108.69 1yta n THR 78 Ca 0.06 -5.35 -0.01 0.00 -2.27 0.00 0.00 64.05 56.48 1yta n THR 78 Cb 0.37 -2.20 0.00 0.00 -2.10 0.00 0.00 70.33 66.40 1yta n THR 78 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yta n GLY 80 N 1.52 2.39 0.40 3.38 0.00 -1.26 -5.02 105.19 106.60 1yta n GLY 80 Ca 0.26 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 1yta n GLY 80 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yta h ASP 81 N 0.19 -1.24 -0.02 1.61 3.32 -1.92 -1.21 116.42 117.15 1yta h ASP 81 Ca -0.03 0.15 0.02 0.00 0.02 0.00 0.00 57.03 57.20 1yta h ASP 81 Cb 0.12 0.49 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 1yta h ASP 81 CO 0.04 -0.45 -0.14 -0.09 -1.72 0.00 0.00 179.24 176.88 1yta h ARG 82 N -0.56 -0.22 -0.19 3.56 9.65 -1.99 0.10 114.38 124.74 1yta h ARG 82 Ca 0.05 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.91 1yta h ARG 82 Cb 0.64 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.26 1yta h ARG 82 CO -0.32 -0.14 -0.05 0.93 2.80 0.00 0.00 179.97 183.19 1yta h GLU 83 N -0.22 0.28 -0.02 0.20 4.39 -1.95 0.19 114.58 117.44 1yta h GLU 83 Ca 0.05 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 1yta h GLU 83 Cb 0.30 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1yta h GLU 83 CO -0.15 0.35 -0.75 0.00 -1.16 0.00 0.00 179.01 177.30 1yta h ALA 84 N 1.68 0.69 -0.16 3.43 0.00 -0.82 -2.32 119.26 121.77 1yta h ALA 84 Ca 0.06 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 1yta h ALA 84 Cb 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1yta h ALA 84 CO 0.01 0.84 -0.01 1.49 0.00 0.00 0.00 179.25 181.58 1yta h GLU 85 N 0.12 0.28 -0.48 0.00 4.81 0.68 -2.18 114.58 117.81 1yta h GLU 85 Ca -0.02 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1yta h GLU 85 Cb 1.32 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.64 1yta h GLU 85 CO 0.11 0.53 0.27 -0.07 -0.73 0.00 0.00 179.01 179.12 1yta h LEU 86 N 0.01 0.42 -1.01 1.64 3.38 -0.63 -0.83 115.31 118.29 1yta h LEU 86 Ca 0.04 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1yta h LEU 86 Cb 0.41 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1yta h LEU 86 CO 0.01 0.30 0.22 0.00 0.09 0.00 0.00 178.44 179.06 1yta h ALA 87 N 1.23 1.21 -0.45 1.53 0.00 -1.38 -0.77 119.26 120.62 1yta h ALA 87 Ca 0.20 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1yta h ALA 87 Cb 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1yta h ALA 87 CO -0.11 0.57 -0.11 1.15 0.00 0.00 0.00 179.25 180.75 1yta h THR 88 N 0.91 1.27 -0.51 0.00 2.02 -1.06 -2.76 112.91 112.79 1yta h THR 88 Ca 0.21 -1.22 -0.08 0.00 0.77 0.00 0.00 66.41 66.09 1yta h THR 88 Cb 0.22 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1yta h THR 88 CO -0.01 0.42 -0.01 -0.07 0.37 0.00 0.00 175.52 176.22 1yta h LEU 89 N 0.70 0.83 -0.72 2.58 3.38 -0.72 -0.41 115.31 120.94 1yta h LEU 89 Ca 0.11 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1yta h LEU 89 Cb 0.65 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1yta h LEU 89 CO 0.04 0.89 0.29 -0.33 0.09 0.00 0.00 178.44 179.43 1yta h GLU 90 N 0.79 1.08 0.43 1.13 4.39 -1.05 -1.07 114.58 120.28 1yta h GLU 90 Ca 0.15 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1yta h GLU 90 Cb 0.48 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1yta h GLU 90 CO 0.02 0.89 -0.21 0.35 -1.16 0.00 0.00 179.01 178.90 1yta h PHE 91 N 1.04 -0.53 -0.91 4.33 3.57 -1.18 -3.27 116.94 119.99 1yta h PHE 91 Ca 0.24 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.79 1yta h PHE 91 Cb 0.21 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.06 1yta h PHE 91 CO 0.02 -0.23 0.57 -0.07 -2.23 0.00 0.00 178.31 176.36 1yta h LEU 92 N -0.79 0.90 -1.80 0.59 3.38 -0.98 -2.10 115.31 114.51 1yta h LEU 92 Ca -0.06 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1yta h LEU 92 Cb 0.54 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1yta h LEU 92 CO 0.10 0.57 0.02 0.11 0.09 0.00 0.00 178.44 179.33 1yta h LYS 93 N 1.03 0.00 0.00 1.13 1.57 -1.25 0.95 116.57 120.00 1yta h LYS 93 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1yta h LYS 93 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1yta h LYS 93 CO -0.18 0.00 -0.74 1.04 -0.57 0.00 0.00 179.45 179.01 1yta n GLN 94 N -2.46 0.28 -0.01 3.15 6.02 -0.79 -4.47 117.38 119.10 1yta n GLN 94 Ca -0.02 0.06 -0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1yta n GLN 94 Cb 0.07 -1.65 -0.02 0.00 1.02 0.00 0.00 30.24 29.66 1yta n GLN 94 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1yta n TRP 95 N -2.04 0.00 -3.77 1.08 7.02 0.14 -2.52 117.44 117.35 1yta n TRP 95 Ca 0.03 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.38 1yta n TRP 95 Cb 0.43 -0.09 -0.14 0.00 -2.42 0.00 0.00 31.31 29.10 1yta n TRP 95 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1yta s VAL 96 N -2.11 -0.04 0.74 -0.99 1.01 -0.11 -2.09 120.40 116.81 1yta s VAL 96 Ca -0.01 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 1yta s VAL 96 Cb 0.01 -0.23 0.03 0.00 0.00 0.00 0.00 36.38 36.19 1yta s VAL 96 CO 0.10 0.05 1.08 -2.16 0.00 0.00 0.00 175.10 174.17 1yta s PRO 97 N 0.88 2.56 0.60 2.72 0.04 -1.26 -4.41 135.00 136.12 1yta s PRO 97 Ca -0.07 1.02 -0.19 0.00 0.04 0.00 0.00 61.00 61.81 1yta s PRO 97 Cb -0.09 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 1yta s PRO 97 CO -0.04 -1.39 1.24 0.00 0.04 0.00 0.00 177.00 176.85 1yta s ALA 98 N -2.99 2.55 -0.09 8.56 0.00 -1.26 -3.43 121.76 125.10 1yta s ALA 98 Ca 0.60 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.65 1yta s ALA 98 Cb -0.15 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1yta s ALA 98 CO 0.55 -1.28 0.00 0.41 0.00 0.00 0.00 175.76 175.45 1yta n GLY 99 N 0.63 0.14 0.13 0.00 0.00 0.35 -4.84 105.19 101.61 1yta n GLY 99 Ca 0.14 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1yta n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yta n LYS 100 N 0.32 0.65 -3.43 1.61 4.76 -1.22 -4.08 118.16 116.77 1yta n LYS 100 Ca -0.01 0.28 -0.38 0.00 -2.87 0.00 0.00 58.31 55.34 1yta n LYS 100 Cb 0.44 -1.60 -0.06 0.00 -1.84 0.00 0.00 35.03 31.97 1yta n LYS 100 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1yta s SER 101 N -6.97 6.67 0.93 4.39 0.15 -1.26 -4.61 113.70 113.00 1yta s SER 101 Ca -0.32 0.79 -0.12 0.00 0.70 0.00 0.00 55.95 57.00 1yta s SER 101 Cb 0.09 -2.25 0.15 0.00 -1.71 0.00 0.00 66.02 62.30 1yta s SER 101 CO 0.61 0.13 1.11 -2.16 1.20 0.00 0.00 173.24 174.13 1yta s PRO 102 N 0.05 1.02 -0.13 5.44 0.04 -1.26 0.47 135.00 140.63 1yta s PRO 102 Ca 0.23 0.44 -0.27 0.00 0.04 0.00 0.00 61.00 61.44 1yta s PRO 102 Cb -0.15 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 1yta s PRO 102 CO 0.10 -2.31 0.89 -1.50 0.04 0.00 0.00 177.00 174.22 1yta s ILE 103 N -3.14 4.86 -0.02 0.56 2.07 -0.97 -4.37 121.20 120.20 1yta s ILE 103 Ca 0.64 1.79 0.04 0.00 -1.41 0.00 0.00 60.65 61.71 1yta s ILE 103 Cb -0.16 -4.20 -0.03 0.00 0.13 0.00 0.00 42.46 38.19 1yta s ILE 103 CO 0.55 0.04 -0.12 0.00 -1.91 0.00 0.00 174.94 173.51 1yta n GLY 105 N 1.89 -0.44 3.30 0.00 0.00 -1.03 -1.44 105.19 107.47 1yta n GLY 105 Ca -0.16 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 1yta n GLY 105 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yta s ASN 106 N -4.00 4.35 -1.43 1.61 -0.87 -1.26 -0.81 114.94 112.52 1yta s ASN 106 Ca 0.00 -0.45 -0.07 0.00 -1.57 0.00 0.00 52.86 50.76 1yta s ASN 106 Cb 0.00 -1.74 0.04 0.00 -0.02 0.00 0.00 41.25 39.53 1yta s ASN 106 CO 0.00 -0.04 0.57 -1.20 -2.57 0.00 0.00 177.10 173.86 1yta n SER 107 N 4.79 -5.00 0.00 -1.22 7.64 -1.26 -4.83 113.62 113.74 1yta n SER 107 Ca -0.18 -0.35 0.04 0.00 1.01 0.00 0.00 58.87 59.40 1yta n SER 107 Cb 0.50 -4.07 0.25 0.00 -1.01 0.00 0.00 64.21 59.88 1yta n SER 107 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1yta n ILE 108 N -4.26 0.00 -0.14 0.44 -6.64 -1.26 -2.69 119.36 104.81 1yta n ILE 108 Ca -0.06 0.00 -0.06 0.00 -1.77 0.00 0.00 62.75 60.86 1yta n ILE 108 Cb 0.58 -0.63 0.11 0.00 -1.44 0.00 0.00 39.64 38.26 1yta n ILE 108 CO 0.00 0.00 0.00 1.23 -1.77 0.00 0.00 176.55 176.01 1yta h GLY 109 N 2.11 0.94 1.35 3.28 0.00 -1.96 -0.26 103.07 108.52 1yta h GLY 109 Ca 0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 47.33 46.53 1yta h GLY 109 CO 0.00 0.61 -0.32 -1.61 0.00 0.00 0.00 176.54 175.23 1yta h GLN 110 N 0.80 0.73 -0.27 4.80 5.75 -1.90 -2.80 115.11 122.22 1yta h GLN 110 Ca 0.15 -0.34 -0.06 0.00 -0.15 0.00 0.00 58.65 58.24 1yta h GLN 110 Cb 0.52 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 1yta h GLN 110 CO 0.03 0.95 -0.08 -0.44 -2.65 0.00 0.00 178.83 176.64 1yta h ASP 111 N 0.62 0.55 -0.71 -0.69 5.19 -1.63 -2.88 116.42 116.87 1yta h ASP 111 Ca 0.07 -0.37 0.07 0.00 -0.62 0.00 0.00 57.03 56.18 1yta h ASP 111 Cb 0.84 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 40.16 1yta h ASP 111 CO 0.07 0.79 0.47 -0.09 -3.12 0.00 0.00 179.24 177.36 1yta h ARG 112 N 0.29 0.68 -0.98 3.56 2.43 -0.97 -1.10 114.38 118.29 1yta h ARG 112 Ca 0.07 -0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.31 1yta h ARG 112 Cb 0.56 -0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 29.88 1yta h ARG 112 CO 0.03 0.45 0.62 0.00 -1.51 0.00 0.00 179.97 179.56 1yta h ARG 113 N 0.70 0.96 0.01 0.20 3.08 -1.26 0.41 114.38 118.47 1yta h ARG 113 Ca 0.31 -0.06 -0.21 0.00 0.07 0.00 0.00 59.98 60.09 1yta h ARG 113 Cb 0.31 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1yta h ARG 113 CO -0.10 0.63 -0.90 0.74 -1.07 0.00 0.00 179.97 179.26 1yta h PHE 114 N 0.99 0.39 -0.67 3.04 -1.00 -1.25 -3.18 116.94 115.26 1yta h PHE 114 Ca 0.47 -0.22 -0.07 0.00 2.81 0.00 0.00 57.97 60.97 1yta h PHE 114 Cb 0.45 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.94 1yta h PHE 114 CO -0.00 1.04 0.15 -0.07 -1.61 0.00 0.00 178.31 177.81 1yta h LEU 115 N 0.14 1.03 -0.92 1.54 3.38 -0.64 0.97 115.31 120.82 1yta h LEU 115 Ca -0.06 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 57.76 1yta h LEU 115 Cb 1.54 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.95 1yta h LEU 115 CO 0.14 1.00 0.58 -0.26 0.09 0.00 0.00 178.44 179.99 1yta h PHE 116 N 1.03 1.07 0.11 1.13 -1.00 -0.96 -2.05 116.94 116.26 1yta h PHE 116 Ca 0.21 0.03 -0.34 0.00 2.81 0.00 0.00 57.97 60.68 1yta h PHE 116 Cb 0.39 -0.34 -0.02 0.00 3.61 0.00 0.00 35.95 39.58 1yta h PHE 116 CO 0.03 0.53 -1.85 -0.22 -1.61 0.00 0.00 178.31 175.19 1yta h LYS 117 N 1.03 0.23 -0.53 1.51 3.64 -1.46 -3.38 116.57 117.62 1yta h LYS 117 Ca 0.41 -0.40 -0.21 0.00 -1.27 0.00 0.00 60.65 59.18 1yta h LYS 117 Cb 0.21 0.15 -0.12 0.00 -0.41 0.00 0.00 32.23 32.06 1yta h LYS 117 CO -0.19 1.09 0.14 0.66 -2.27 0.00 0.00 179.45 178.88 1yta n TYR 118 N -3.41 1.69 0.00 1.91 4.02 0.31 -5.12 117.16 116.55 1yta n TYR 118 Ca -0.26 -1.41 0.00 0.00 -0.01 0.00 0.00 57.90 56.22 1yta n TYR 118 Cb 1.05 -0.58 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 1yta n TYR 118 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1yta n PRO 120 N -0.80 0.00 -0.03 -0.72 -0.04 -0.77 -4.64 135.00 128.00 1yta n PRO 120 Ca 0.37 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.67 1yta n PRO 120 Cb 1.19 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 34.58 1yta n PRO 120 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1yta h GLU 121 N 0.00 0.64 -0.20 0.54 4.81 -1.94 -0.48 114.58 117.95 1yta h GLU 121 Ca 0.00 -0.50 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 1yta h GLU 121 Cb 0.00 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1yta h GLU 121 CO 0.00 1.12 0.02 1.25 -0.73 0.00 0.00 179.01 180.67 1yta h LEU 122 N 0.30 0.32 -0.55 1.64 5.85 -1.91 -2.33 115.31 118.63 1yta h LEU 122 Ca -0.03 -0.27 0.09 0.00 0.84 0.00 0.00 57.88 58.51 1yta h LEU 122 Cb 1.21 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.08 1yta h LEU 122 CO 0.12 0.51 0.15 -0.08 -0.34 0.00 0.00 178.44 178.80 1yta h GLU 123 N 0.11 0.29 0.00 1.25 4.22 -1.79 -0.11 114.58 118.55 1yta h GLU 123 Ca 0.06 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.48 1yta h GLU 123 Cb 0.33 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1yta h GLU 123 CO 0.01 0.19 0.00 0.00 -2.18 0.00 0.00 179.01 177.03 1yta h ALA 124 N 1.41 1.00 0.00 2.92 0.00 -0.85 -2.59 119.26 121.15 1yta h ALA 124 Ca 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1yta h ALA 124 Cb 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1yta h ALA 124 CO -0.33 0.00 -0.02 -0.92 0.00 0.00 0.00 179.25 177.98 1yta h TYR 125 N 0.00 0.00 -3.54 0.00 3.20 -0.45 -3.39 116.97 112.79 1yta h TYR 125 Ca 0.00 0.00 -0.51 0.00 3.14 0.00 0.00 58.73 61.36 1yta h TYR 125 Cb 0.30 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1yta h TYR 125 CO 0.00 0.02 -0.01 -0.06 -1.64 0.00 0.00 178.16 176.47 1yta s PHE 126 N -3.74 3.43 0.72 -3.82 0.40 -0.98 -0.50 117.98 113.50 1yta s PHE 126 Ca 0.00 0.97 -0.15 0.00 -0.60 0.00 0.00 56.93 57.15 1yta s PHE 126 Cb 0.10 -2.35 0.04 0.00 0.51 0.00 0.00 43.02 41.31 1yta s PHE 126 CO 0.54 0.12 1.18 -1.58 0.70 0.00 0.00 175.22 176.18 1yta s HIS 127 N -2.04 2.15 0.01 0.36 5.65 0.18 -4.51 115.29 117.09 1yta s HIS 127 Ca 0.50 1.60 0.30 0.00 0.25 0.00 0.00 55.06 57.71 1yta s HIS 127 Cb -0.11 -3.40 1.48 0.00 -1.18 0.00 0.00 32.58 29.37 1yta s HIS 127 CO 0.24 -2.43 1.92 0.10 -0.65 0.00 0.00 174.74 173.91 1yta h TYR 128 N -0.31 0.00 -4.41 3.88 -0.00 -1.87 -3.40 116.97 110.86 1yta h TYR 128 Ca -0.47 0.00 -0.49 0.00 0.00 0.00 0.00 58.73 57.77 1yta h TYR 128 Cb 1.28 0.00 0.09 0.00 0.00 0.00 0.00 36.73 38.10 1yta h TYR 128 CO 0.49 0.00 0.39 1.03 -0.00 0.00 0.00 178.16 180.06 1yta s ARG 129 N -3.67 2.58 -0.07 0.10 0.52 -1.26 -4.96 118.95 112.19 1yta s ARG 129 Ca -0.01 0.52 0.03 0.00 -0.52 0.00 0.00 55.73 55.76 1yta s ARG 129 Cb 0.09 -1.98 -0.02 0.00 0.52 0.00 0.00 34.95 33.56 1yta s ARG 129 CO 0.37 -1.25 -0.15 0.71 0.02 0.00 0.00 175.30 174.99 1yta s TYR 130 N -3.29 2.69 -0.69 -0.53 1.51 -1.26 -2.30 117.35 113.49 1yta s TYR 130 Ca 0.59 -0.35 0.05 0.00 -1.01 0.00 0.00 57.07 56.35 1yta s TYR 130 Cb -0.12 -1.68 0.18 0.00 -0.11 0.00 0.00 41.96 40.23 1yta s TYR 130 CO 0.53 0.04 0.54 -0.11 -1.11 0.00 0.00 175.55 175.43 1yta n LEU 131 N 2.69 3.06 -4.53 -1.29 7.94 0.12 -4.89 117.00 120.11 1yta n LEU 131 Ca -0.17 -5.23 -0.42 0.00 -1.11 0.00 0.00 56.01 49.07 1yta n LEU 131 Cb 0.52 -0.70 -0.07 0.00 0.53 0.00 0.00 43.42 43.70 1yta n LEU 131 CO 0.27 1.82 0.32 -0.62 -1.11 0.00 0.00 177.39 178.06 1yta s ASP 132 N -1.62 6.33 0.52 1.96 -1.08 -1.26 -2.46 116.67 119.06 1yta s ASP 132 Ca 0.28 -0.23 0.17 0.00 -0.52 0.00 0.00 52.55 52.25 1yta s ASP 132 Cb -0.00 -2.30 1.30 0.00 -1.46 0.00 0.00 42.92 40.46 1yta s ASP 132 CO -0.14 -0.66 2.15 0.58 0.52 0.00 0.00 175.17 177.62 1yta h VAL 133 N 5.77 0.97 0.00 1.11 2.07 -1.36 -0.93 116.25 123.87 1yta h VAL 133 Ca -0.26 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1yta h VAL 133 Cb 1.11 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1yta h VAL 133 CO 0.85 0.00 0.00 0.28 0.02 0.00 0.00 177.57 178.72 1yta h SER 134 N 0.00 0.00 -0.30 0.57 0.02 -1.92 -0.40 113.55 111.52 1yta h SER 134 Ca -0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 1yta h SER 134 Cb 0.01 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 1yta h SER 134 CO 0.00 0.00 -0.47 0.74 -1.14 0.00 0.00 176.83 175.96 1yta h THR 135 N 0.00 1.28 -0.22 -2.27 2.02 -1.55 -1.82 112.91 110.35 1yta h THR 135 Ca 0.00 -1.66 -0.15 0.00 0.77 0.00 0.00 66.41 65.37 1yta h THR 135 Cb 0.16 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1yta h THR 135 CO 0.00 0.54 -0.50 -0.07 0.37 0.00 0.00 175.52 175.86 1yta h LEU 136 N 0.63 0.66 -0.68 2.58 3.38 -1.22 -2.43 115.31 118.22 1yta h LEU 136 Ca 0.03 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1yta h LEU 136 Cb 1.08 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1yta h LEU 136 CO 0.11 1.04 0.37 0.50 0.09 0.00 0.00 178.44 180.55 1yta h LYS 137 N 0.47 0.95 -0.63 1.13 3.64 -1.30 0.52 116.57 121.35 1yta h LYS 137 Ca 0.02 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1yta h LYS 137 Cb 1.03 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 1yta h LYS 137 CO 0.10 0.71 0.31 1.49 -2.27 0.00 0.00 179.45 179.78 1yta h GLU 138 N 0.93 0.91 -0.33 1.90 4.57 -1.18 -0.56 114.58 120.83 1yta h GLU 138 Ca 0.24 -0.13 -0.11 0.00 -1.18 0.00 0.00 59.36 58.18 1yta h GLU 138 Cb 0.04 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 1yta h GLU 138 CO -0.04 0.73 -0.21 -0.07 -1.18 0.00 0.00 179.01 178.24 1yta h LEU 139 N 0.87 0.75 -0.92 1.64 3.38 -1.09 -2.67 115.31 117.27 1yta h LEU 139 Ca 0.22 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.76 1yta h LEU 139 Cb 0.12 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1yta h LEU 139 CO -0.03 1.02 0.59 0.00 0.09 0.00 0.00 178.44 180.11 1yta h ALA 140 N 0.76 1.17 -0.34 1.53 0.00 -0.67 0.27 119.26 121.98 1yta h ALA 140 Ca 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1yta h ALA 140 Cb 0.76 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1yta h ALA 140 CO 0.06 0.58 0.02 -0.09 0.00 0.00 0.00 179.25 179.82 1yta h ARG 141 N 1.25 0.51 0.00 0.00 2.43 -0.99 0.84 114.38 118.43 1yta h ARG 141 Ca 0.33 -0.10 -0.17 0.00 -0.81 0.00 0.00 59.98 59.23 1yta h ARG 141 Cb -0.12 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.32 1yta h ARG 141 CO -0.07 0.53 -1.42 0.54 -1.51 0.00 0.00 179.97 178.04 1yta n ARG 142 N -4.30 0.62 -0.00 0.20 1.74 -0.80 -4.13 116.66 109.99 1yta n ARG 142 Ca 0.02 0.23 0.04 0.00 -0.77 0.00 0.00 57.85 57.36 1yta n ARG 142 Cb 0.23 -1.81 -0.06 0.00 -1.02 0.00 0.00 32.46 29.80 1yta n ARG 142 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1yta n TRP 143 N -2.90 0.00 -2.77 -1.55 8.01 0.89 -4.84 117.44 114.28 1yta n TRP 143 Ca -0.10 0.00 -0.10 0.00 -1.31 0.00 0.00 57.50 56.00 1yta n TRP 143 Cb 0.85 -0.16 0.07 0.00 -2.01 0.00 0.00 31.31 30.06 1yta n TRP 143 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 1yta n LYS 144 N -1.72 0.98 0.20 -0.99 4.81 0.16 -5.01 118.16 116.59 1yta n LYS 144 Ca -0.01 -2.01 0.18 0.00 -0.87 0.00 0.00 58.31 55.60 1yta n LYS 144 Cb 0.19 -1.14 0.82 0.00 0.02 0.00 0.00 35.03 34.93 1yta n LYS 144 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1yta h PRO 145 N 3.16 0.00 -0.80 1.64 0.13 -1.36 -2.95 132.00 131.82 1yta h PRO 145 Ca -0.09 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.16 1yta h PRO 145 Cb 1.08 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.12 1yta h PRO 145 CO 0.19 0.00 0.40 0.93 -0.23 0.00 0.00 178.00 179.29 1yta h GLU 146 N 0.00 0.59 0.00 0.86 3.07 -1.94 -1.24 114.58 115.93 1yta h GLU 146 Ca 0.10 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1yta h GLU 146 Cb 0.66 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1yta h GLU 146 CO -0.00 0.39 0.00 -0.84 -1.40 0.00 0.00 179.01 177.16 1yta h ILE 147 N 0.61 0.00 -0.90 3.13 3.07 -1.88 -3.09 117.51 118.45 1yta h ILE 147 Ca 0.42 -0.23 0.00 0.00 1.55 0.00 0.00 64.86 66.61 1yta h ILE 147 Cb 0.54 1.17 -0.04 0.00 -0.27 0.00 0.00 36.82 38.22 1yta h ILE 147 CO -0.33 0.00 0.58 -0.07 -1.05 0.00 0.00 178.15 177.28 1yta h LEU 148 N 0.00 1.05 -2.03 0.16 4.07 -1.42 -2.67 115.31 114.46 1yta h LEU 148 Ca 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 1yta h LEU 148 Cb 0.24 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 41.71 1yta h LEU 148 CO 0.00 0.77 -0.05 0.44 -1.08 0.00 0.00 178.44 178.53 1yta h ASP 149 N 1.22 0.00 0.14 -0.43 3.32 -1.70 -2.64 116.42 116.33 1yta h ASP 149 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1yta h ASP 149 Cb -0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1yta h ASP 149 CO -0.07 0.05 0.00 0.61 -1.72 0.00 0.00 179.24 178.11 1yta n GLY 150 N -1.31 -0.80 3.10 2.75 0.00 -1.01 -4.75 105.19 103.16 1yta n GLY 150 Ca -0.03 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 1yta n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1yta s PHE 151 N -2.20 1.14 -0.04 1.61 5.36 -1.00 -5.15 117.98 117.71 1yta s PHE 151 Ca 0.29 -0.25 -0.15 0.00 -0.96 0.00 0.00 56.93 55.86 1yta s PHE 151 Cb 0.15 -0.72 0.03 0.00 -0.34 0.00 0.00 43.02 42.14 1yta s PHE 151 CO 0.28 -0.01 0.34 0.99 -1.46 0.00 0.00 175.22 175.37 1yta s THR 152 N -0.45 0.04 -0.05 0.12 2.01 -1.26 -5.00 115.64 111.05 1yta s THR 152 Ca 0.04 -0.34 0.04 0.00 0.31 0.00 0.00 61.69 61.73 1yta s THR 152 Cb -0.06 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 1yta s THR 152 CO -0.00 -0.19 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.06 1yta s LYS 153 N -0.97 2.54 0.11 4.92 1.02 -1.26 -5.04 119.74 121.06 1yta s LYS 153 Ca -0.10 -0.70 -0.14 0.00 0.02 0.00 0.00 55.97 55.05 1yta s LYS 153 Cb -0.04 -2.38 -0.06 0.00 -0.52 0.00 0.00 37.83 34.83 1yta s LYS 153 CO 0.04 0.60 1.48 1.96 -0.92 0.00 0.00 175.35 178.50 1yta h GLN 154 N 5.41 0.75 -0.47 1.68 1.08 -2.01 -3.50 115.11 118.05 1yta h GLN 154 Ca -0.45 -0.34 0.00 0.00 -1.45 0.00 0.00 58.65 56.41 1yta h GLN 154 Cb 1.15 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 1yta h GLN 154 CO 0.50 0.96 0.00 0.41 -0.95 0.00 0.00 178.83 179.75 1yta n GLY 155 N -0.01 -1.57 3.59 3.46 0.00 -1.26 -5.13 105.19 104.27 1yta n GLY 155 Ca -0.02 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 1yta n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yta s THR 156 N -0.13 0.00 -0.89 2.61 2.01 -1.26 -5.04 115.64 112.95 1yta s THR 156 Ca 0.00 -1.41 0.19 0.00 0.31 0.00 0.00 61.69 60.77 1yta s THR 156 Cb 0.00 -2.50 -0.21 0.00 0.01 0.00 0.00 72.50 69.80 1yta s THR 156 CO 0.00 0.00 0.80 1.41 -0.69 0.00 0.00 174.62 176.14 1yta n HIS 157 N -0.48 0.00 -2.70 4.92 8.25 -1.26 -4.90 115.22 119.04 1yta n HIS 157 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 1yta n HIS 157 Cb 0.61 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.69 1yta n HIS 157 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1yta s GLN 158 N -2.81 3.96 0.00 -0.41 1.11 -1.26 -5.06 119.66 115.20 1yta s GLN 158 Ca 0.07 0.85 0.00 0.00 0.01 0.00 0.00 55.36 56.29 1yta s GLN 158 Cb 0.14 -3.77 0.00 0.00 -1.01 0.00 0.00 33.01 28.37 1yta s GLN 158 CO 0.78 -0.95 0.00 0.00 0.01 0.00 0.00 175.29 175.14 1yta n ALA 159 N 6.90 0.82 0.00 6.09 0.00 -1.26 -2.43 120.51 130.63 1yta n ALA 159 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1yta n ALA 159 Cb 0.48 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1yta n ALA 159 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1yta n ASP 161 N 0.60 0.00 -0.15 0.00 9.92 -1.26 -1.47 116.55 124.18 1yta n ASP 161 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 1yta n ASP 161 Cb 0.00 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.47 1yta n ASP 161 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1yta h ASP 162 N 0.00 0.75 -0.54 -2.24 3.32 -1.85 -1.99 116.42 113.87 1yta h ASP 162 Ca 0.00 -0.30 -0.11 0.00 0.02 0.00 0.00 57.03 56.65 1yta h ASP 162 Cb 0.00 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1yta h ASP 162 CO 0.00 0.86 -0.08 0.40 -1.72 0.00 0.00 179.24 178.71 1yta h ILE 163 N 0.61 1.27 -0.67 0.35 2.04 -1.56 -1.58 117.51 117.97 1yta h ILE 163 Ca 0.13 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 1yta h ILE 163 Cb 0.47 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1yta h ILE 163 CO 0.02 0.43 0.36 0.03 0.00 0.00 0.00 178.15 178.99 1yta h ARG 164 N 0.87 0.93 -0.02 2.37 3.08 -1.81 -1.08 114.38 118.73 1yta h ARG 164 Ca 0.14 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 1yta h ARG 164 Cb 0.64 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1yta h ARG 164 CO 0.04 0.69 -0.50 0.93 -1.07 0.00 0.00 179.97 180.06 1yta h GLU 165 N 0.93 0.05 -0.36 0.04 5.08 -1.06 -0.64 114.58 118.62 1yta h GLU 165 Ca 0.24 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1yta h GLU 165 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1yta h GLU 165 CO -0.04 0.53 -0.03 0.77 -1.00 0.00 0.00 179.01 179.25 1yta h SER 166 N 0.04 0.64 0.16 1.42 0.02 -0.32 0.17 113.55 115.68 1yta h SER 166 Ca -0.00 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.61 1yta h SER 166 Cb 0.89 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1yta h SER 166 CO 0.07 0.82 -0.08 0.58 -1.14 0.00 0.00 176.83 177.08 1yta h VAL 167 N 0.45 0.85 -0.53 2.27 2.07 -0.95 -1.82 116.25 118.59 1yta h VAL 167 Ca 0.10 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.66 1yta h VAL 167 Cb 0.51 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 1yta h VAL 167 CO 0.02 0.01 0.17 0.00 0.02 0.00 0.00 177.57 177.79 1yta h ALA 168 N 0.60 0.64 -0.44 1.67 0.00 -1.00 -0.51 119.26 120.23 1yta h ALA 168 Ca -0.02 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1yta h ALA 168 Cb 0.18 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1yta h ALA 168 CO 0.04 -0.24 0.13 1.49 0.00 0.00 0.00 179.25 180.67 1yta h GLU 169 N 0.34 0.27 -0.59 0.00 4.81 -0.62 0.18 114.58 118.98 1yta h GLU 169 Ca 0.26 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 1yta h GLU 169 Cb 0.31 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1yta h GLU 169 CO -0.28 0.18 0.24 1.25 -0.73 0.00 0.00 179.01 179.66 1yta h LEU 170 N 0.28 0.78 -0.78 1.64 5.85 -0.59 -1.26 115.31 121.23 1yta h LEU 170 Ca 0.21 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 1yta h LEU 170 Cb 0.23 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1yta h LEU 170 CO -0.24 0.70 0.09 0.00 -0.34 0.00 0.00 178.44 178.65 1yta h ALA 171 N 1.41 0.99 -0.23 1.25 0.00 0.31 -0.64 119.26 122.36 1yta h ALA 171 Ca 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1yta h ALA 171 Cb 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1yta h ALA 171 CO -0.02 0.64 0.15 -0.92 0.00 0.00 0.00 179.25 179.09 1yta h TYR 172 N 0.96 0.30 -0.48 0.00 3.20 0.16 -2.44 116.97 118.66 1yta h TYR 172 Ca 0.19 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.99 1yta h TYR 172 Cb 0.43 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1yta h TYR 172 CO 0.03 0.21 0.01 1.88 -1.64 0.00 0.00 178.16 178.65 1yta h TYR 173 N 0.30 0.84 -0.19 -3.82 0.99 -1.01 -0.40 116.97 113.69 1yta h TYR 173 Ca 0.08 -0.12 -0.02 0.00 2.00 0.00 0.00 58.73 60.68 1yta h TYR 173 Cb -0.01 -0.23 -0.01 0.00 1.00 0.00 0.00 36.73 37.48 1yta h TYR 173 CO -0.05 0.78 0.05 -0.09 -0.00 0.00 0.00 178.16 178.84 1yta h ARG 174 N 0.74 0.26 0.10 4.88 2.43 -0.82 0.63 114.38 122.60 1yta h ARG 174 Ca 0.15 -0.03 -0.32 0.00 -0.81 0.00 0.00 59.98 58.97 1yta h ARG 174 Cb 0.44 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1yta h ARG 174 CO 0.02 0.25 -1.69 1.49 -1.51 0.00 0.00 179.97 178.52 1yta h GLU 175 N 0.26 0.21 -0.00 0.20 4.81 -0.96 -3.30 114.58 115.79 1yta h GLU 175 Ca 0.07 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1yta h GLU 175 Cb 0.11 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1yta h GLU 175 CO -0.00 1.03 -0.37 0.72 -0.73 0.00 0.00 179.01 179.65 1yta n HIS 176 N -3.39 0.00 -0.45 0.92 8.25 -0.20 -4.68 115.22 115.67 1yta n HIS 176 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 1yta n HIS 176 Cb 1.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.16 1yta n HIS 176 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1yta n PHE 177 N -0.67 0.00 -4.47 4.41 7.35 0.21 -5.02 117.46 119.27 1yta n PHE 177 Ca 0.04 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.49 1yta n PHE 177 Cb 0.22 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 39.91 1yta n PHE 177 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1yta s ILE 178 N -0.03 1.57 -0.08 -2.13 -1.09 -0.81 -4.95 121.20 113.68 1yta s ILE 178 Ca 0.00 -1.28 -0.19 0.00 -2.23 0.00 0.00 60.65 56.96 1yta s ILE 178 Cb 0.00 -1.40 -0.04 0.00 -1.58 0.00 0.00 42.46 39.44 1yta s ILE 178 CO 0.00 0.08 0.51 -0.54 -1.23 0.00 0.00 174.94 173.75 1yta s LYS 179 N -1.41 4.30 0.00 2.79 1.02 -1.26 -4.75 119.74 120.43 1yta s LYS 179 Ca 0.06 0.53 0.00 0.00 0.02 0.00 0.00 55.97 56.57 1yta s LYS 179 Cb -0.09 -3.40 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 1yta s LYS 179 CO 0.02 0.24 0.20 1.28 -0.92 0.00 0.00 175.35 176.17