#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yad s GLU 2 N 0.00 3.36 -0.19 0.03 2.02 -0.84 -4.88 118.70 118.20 1yad s GLU 2 Ca 0.00 1.20 0.01 0.00 0.02 0.00 0.00 54.97 56.20 1yad s GLU 2 Cb 0.00 -2.04 0.04 0.00 0.10 0.00 0.00 34.13 32.23 1yad s GLU 2 CO 0.00 -0.78 -0.12 -1.17 0.02 0.00 0.00 175.26 173.21 1yad s LEU 3 N -4.45 2.22 -0.18 1.80 2.96 -1.26 -0.54 118.68 119.23 1yad s LEU 3 Ca 0.64 -0.82 -0.04 0.00 -0.22 0.00 0.00 54.13 53.68 1yad s LEU 3 Cb -0.16 -1.26 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 1yad s LEU 3 CO 0.36 -0.12 -0.02 -1.00 -1.32 0.00 0.00 176.35 174.26 1yad s HIS 4 N 1.39 3.04 -0.14 5.38 3.76 0.73 -0.91 115.29 128.53 1yad s HIS 4 Ca 0.00 -0.38 -0.12 0.00 -0.15 0.00 0.00 55.06 54.41 1yad s HIS 4 Cb -0.15 -2.03 -0.05 0.00 1.11 0.00 0.00 32.58 31.46 1yad s HIS 4 CO -0.09 -0.15 0.26 0.00 -0.85 0.00 0.00 174.74 173.91 1yad s ALA 5 N 0.71 3.67 -0.19 -1.40 0.00 0.32 -0.03 121.76 124.85 1yad s ALA 5 Ca -0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 1yad s ALA 5 Cb -0.14 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1yad s ALA 5 CO 0.02 0.25 -0.12 0.42 0.00 0.00 0.00 175.76 176.33 1yad s ILE 6 N -0.03 2.80 0.71 0.00 -1.09 -0.12 0.28 121.20 123.75 1yad s ILE 6 Ca 0.16 -0.70 -0.16 0.00 -2.23 0.00 0.00 60.65 57.72 1yad s ILE 6 Cb -0.13 -2.22 0.03 0.00 -1.58 0.00 0.00 42.46 38.56 1yad s ILE 6 CO 0.04 0.49 1.22 0.42 -1.23 0.00 0.00 174.94 175.88 1yad s THR 7 N 1.18 2.27 -2.16 2.92 -4.23 -0.50 -4.34 115.64 110.79 1yad s THR 7 Ca 0.02 0.14 0.23 0.00 -1.18 0.00 0.00 61.69 60.90 1yad s THR 7 Cb -0.14 -2.79 0.58 0.00 1.34 0.00 0.00 72.50 71.49 1yad s THR 7 CO -0.05 -0.06 1.50 -0.90 -0.54 0.00 0.00 174.62 174.57 1yad n ASP 8 N -2.53 3.81 -3.98 3.99 5.75 -1.26 -4.46 116.55 117.86 1yad n ASP 8 Ca 0.14 -2.00 -0.26 0.00 -0.01 0.00 0.00 54.79 52.66 1yad n ASP 8 Cb 0.50 -0.41 -0.02 0.00 -1.03 0.00 0.00 41.12 40.15 1yad n ASP 8 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1yad n ASP 9 N 1.62 -0.40 0.00 -1.12 4.64 -1.25 -4.81 116.55 115.23 1yad n ASP 9 Ca 0.23 -1.02 0.00 0.00 -1.38 0.00 0.00 54.79 52.62 1yad n ASP 9 Cb 0.62 -2.98 0.00 0.00 -1.04 0.00 0.00 41.12 37.72 1yad n ASP 9 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 1yad n SER 10 N -2.97 0.00 -4.59 1.67 3.41 -1.26 -4.85 113.62 105.04 1yad n SER 10 Ca -0.29 -0.62 -0.25 0.00 -0.26 0.00 0.00 58.87 57.44 1yad n SER 10 Cb 0.68 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.54 1yad n SER 10 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1yad s LYS 11 N 0.00 2.11 0.62 4.33 1.02 -1.26 -5.11 119.74 121.45 1yad s LYS 11 Ca 0.00 -1.35 -0.17 0.00 0.02 0.00 0.00 55.97 54.47 1yad s LYS 11 Cb 0.00 -2.14 -0.02 0.00 -0.52 0.00 0.00 37.83 35.15 1yad s LYS 11 CO 0.00 0.41 1.16 -2.14 -0.92 0.00 0.00 175.35 173.85 1yad s PRO 12 N -3.14 2.89 0.28 -1.68 0.02 -1.26 -4.78 135.00 127.33 1yad s PRO 12 Ca 0.27 1.63 0.01 0.00 0.02 0.00 0.00 61.00 62.94 1yad s PRO 12 Cb -0.08 -1.94 0.58 0.00 0.02 0.00 0.00 34.50 33.08 1yad s PRO 12 CO 0.17 -1.22 1.81 -0.39 -0.33 0.00 0.00 177.00 177.04 1yad h VAL 13 N 0.54 0.85 -0.05 3.83 -1.51 -1.99 -1.70 116.25 116.22 1yad h VAL 13 Ca -0.49 -0.30 0.01 0.00 -1.23 0.00 0.00 66.70 64.69 1yad h VAL 13 Cb 1.27 -0.11 -0.01 0.00 -2.13 0.00 0.00 31.29 30.31 1yad h VAL 13 CO 0.54 0.16 -0.01 -0.33 -1.23 0.00 0.00 177.57 176.71 1yad h GLU 14 N 0.89 0.01 -0.33 5.19 3.07 -1.97 0.80 114.58 122.23 1yad h GLU 14 Ca 0.50 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.34 1yad h GLU 14 Cb 0.58 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 1yad h GLU 14 CO -0.30 0.00 0.12 1.49 -1.40 0.00 0.00 179.01 178.93 1yad h GLU 15 N 0.01 0.50 -0.77 2.33 4.81 -1.83 -2.65 114.58 116.98 1yad h GLU 15 Ca 0.02 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1yad h GLU 15 Cb 0.03 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 1yad h GLU 15 CO -0.05 0.51 0.38 1.25 -0.73 0.00 0.00 179.01 180.37 1yad h LEU 16 N 0.39 1.00 -0.74 1.64 5.85 -1.18 -2.65 115.31 119.63 1yad h LEU 16 Ca 0.11 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.73 1yad h LEU 16 Cb 0.20 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 1yad h LEU 16 CO -0.01 0.85 0.47 0.00 -0.34 0.00 0.00 178.44 179.41 1yad h ALA 17 N 1.19 0.97 -0.42 1.25 0.00 -0.67 -1.03 119.26 120.56 1yad h ALA 17 Ca 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1yad h ALA 17 Cb 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1yad h ALA 17 CO -0.03 0.26 0.20 0.00 0.00 0.00 0.00 179.25 179.68 1yad h ARG 18 N 0.91 0.61 -0.50 0.00 3.08 -1.18 -1.43 114.38 115.88 1yad h ARG 18 Ca 0.30 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 1yad h ARG 18 Cb 0.02 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1yad h ARG 18 CO -0.11 0.53 0.28 0.82 -1.07 0.00 0.00 179.97 180.42 1yad h ILE 19 N 0.54 1.17 -0.31 2.04 2.04 -1.13 0.39 117.51 122.26 1yad h ILE 19 Ca 0.14 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.61 1yad h ILE 19 Cb 0.12 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1yad h ILE 19 CO -0.02 0.18 0.12 0.40 0.00 0.00 0.00 178.15 178.83 1yad h ILE 20 N 0.66 0.94 -0.76 -0.67 2.04 -0.96 -0.83 117.51 117.93 1yad h ILE 20 Ca 0.17 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 1yad h ILE 20 Cb 0.04 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1yad h ILE 20 CO -0.03 0.05 0.39 0.40 0.00 0.00 0.00 178.15 178.96 1yad h ILE 21 N 0.27 1.24 -0.42 -0.67 1.08 -0.96 -2.30 117.51 115.75 1yad h ILE 21 Ca 0.13 -0.63 -0.08 0.00 -0.39 0.00 0.00 64.86 63.89 1yad h ILE 21 Cb 0.08 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.07 1yad h ILE 21 CO -0.12 0.27 -0.08 0.74 -0.69 0.00 0.00 178.15 178.28 1yad h THR 22 N 1.07 1.25 -0.01 -0.27 2.02 -0.31 -3.25 112.91 113.41 1yad h THR 22 Ca 0.27 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.36 1yad h THR 22 Cb 0.08 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1yad h THR 22 CO -0.04 0.37 -0.46 2.30 0.37 0.00 0.00 175.52 178.07 1yad n ILE 23 N -4.19 0.00 -0.34 3.11 -5.35 -0.37 -4.62 119.36 107.60 1yad n ILE 23 Ca 0.02 -0.18 0.31 0.00 -0.27 0.00 0.00 62.75 62.63 1yad n ILE 23 Cb 0.34 0.89 0.64 0.00 -1.74 0.00 0.00 39.64 39.77 1yad n ILE 23 CO 0.00 0.00 0.00 0.06 -1.76 0.00 0.00 176.55 174.85 1yad h GLN 24 N 1.65 0.17 0.00 6.28 3.07 -1.45 -0.71 115.11 124.13 1yad h GLN 24 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1yad h GLN 24 Cb 0.63 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.16 1yad h GLN 24 CO 0.00 0.11 -0.17 0.09 0.09 0.00 0.00 178.83 178.95 1yad n ASN 25 N -4.41 0.27 -0.42 0.06 5.03 -1.26 -3.59 115.26 110.93 1yad n ASN 25 Ca 0.27 0.30 0.11 0.00 0.87 0.00 0.00 54.58 56.13 1yad n ASN 25 Cb 1.13 -0.30 0.07 0.00 -1.02 0.00 0.00 39.78 39.66 1yad n ASN 25 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1yad n GLU 26 N -1.63 1.08 -4.36 3.52 -0.58 -0.27 -4.96 120.64 113.44 1yad n GLU 26 Ca 0.06 -0.85 -0.19 0.00 -0.42 0.00 0.00 57.16 55.76 1yad n GLU 26 Cb 0.36 -1.48 -0.10 0.00 -0.57 0.00 0.00 31.44 29.64 1yad n GLU 26 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1yad s VAL 27 N -2.50 1.61 -0.08 2.62 -7.23 -1.22 -4.73 120.40 108.87 1yad s VAL 27 Ca 0.19 -2.16 0.01 0.00 -1.81 0.00 0.00 61.98 58.21 1yad s VAL 27 Cb 0.18 -2.17 -0.25 0.00 0.56 0.00 0.00 36.38 34.71 1yad s VAL 27 CO 0.57 -0.50 0.51 0.44 -0.31 0.00 0.00 175.10 175.81 1yad h ASP 28 N 2.49 0.26 -5.06 4.85 3.32 -1.33 -3.48 116.42 117.48 1yad h ASP 28 Ca -0.38 -0.58 -0.12 0.00 0.02 0.00 0.00 57.03 55.96 1yad h ASP 28 Cb 1.22 -0.09 -0.18 0.00 0.22 0.00 0.00 39.33 40.51 1yad h ASP 28 CO 0.64 1.52 -0.45 -0.36 -1.72 0.00 0.00 179.24 178.87 1yad s PHE 29 N -2.58 0.10 -0.13 4.55 0.08 -1.14 -4.67 117.98 114.20 1yad s PHE 29 Ca -0.15 -0.32 -0.01 0.00 0.12 0.00 0.00 56.93 56.57 1yad s PHE 29 Cb 0.07 -0.07 0.03 0.00 -0.57 0.00 0.00 43.02 42.48 1yad s PHE 29 CO 0.80 -0.39 -0.06 0.42 -0.10 0.00 0.00 175.22 175.89 1yad s ILE 30 N -2.39 1.02 -0.19 0.64 1.01 0.19 -0.52 121.20 120.96 1yad s ILE 30 Ca -0.07 -0.38 -0.16 0.00 0.00 0.00 0.00 60.65 60.04 1yad s ILE 30 Cb -0.02 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 1yad s ILE 30 CO -0.03 0.28 0.40 -1.00 0.00 0.00 0.00 174.94 174.59 1yad s HIS 31 N 1.70 3.40 -0.53 3.97 3.76 0.14 -1.15 115.29 126.58 1yad s HIS 31 Ca 0.04 0.65 -0.24 0.00 -0.15 0.00 0.00 55.06 55.36 1yad s HIS 31 Cb -0.13 -2.51 0.04 0.00 1.11 0.00 0.00 32.58 31.09 1yad s HIS 31 CO -0.08 0.04 0.92 0.42 -0.85 0.00 0.00 174.74 175.19 1yad s ILE 32 N 1.13 4.43 -0.51 0.60 -1.09 0.11 -1.41 121.20 124.46 1yad s ILE 32 Ca 0.20 0.30 0.07 0.00 -2.23 0.00 0.00 60.65 58.99 1yad s ILE 32 Cb -0.15 -4.51 0.34 0.00 -1.58 0.00 0.00 42.46 36.57 1yad s ILE 32 CO 0.08 -1.05 0.88 -1.14 -1.23 0.00 0.00 174.94 172.47 1yad n ARG 33 N 7.33 2.49 -2.56 2.79 0.63 -1.26 -1.63 116.66 124.44 1yad n ARG 33 Ca 0.02 -4.37 -0.42 0.00 -0.92 0.00 0.00 57.85 52.15 1yad n ARG 33 Cb 0.47 -2.06 0.01 0.00 0.45 0.00 0.00 32.46 31.33 1yad n ARG 33 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1yad n GLU 34 N -0.06 4.28 0.26 -0.14 -0.58 -1.26 -3.95 120.64 119.19 1yad n GLU 34 Ca 0.29 -4.02 0.18 0.00 -0.42 0.00 0.00 57.16 53.19 1yad n GLU 34 Cb 0.48 -2.68 0.91 0.00 -0.57 0.00 0.00 31.44 29.58 1yad n GLU 34 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1yad h ARG 35 N 5.29 0.00 -0.07 3.49 3.08 -1.92 -1.20 114.38 123.06 1yad h ARG 35 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1yad h ARG 35 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1yad h ARG 35 CO 1.45 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 180.78 1yad n SER 36 N -3.42 2.54 -4.90 7.04 7.64 -1.26 -4.93 113.62 116.33 1yad n SER 36 Ca -0.00 -1.84 -0.30 0.00 1.01 0.00 0.00 58.87 57.74 1yad n SER 36 Cb 0.29 -0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.42 1yad n SER 36 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1yad s LYS 37 N -1.94 3.34 0.76 1.43 1.02 -0.45 -5.10 119.74 118.80 1yad s LYS 37 Ca 0.32 -0.51 -0.11 0.00 0.02 0.00 0.00 55.97 55.69 1yad s LYS 37 Cb 0.20 -2.97 0.05 0.00 -0.52 0.00 0.00 37.83 34.59 1yad s LYS 37 CO 0.31 0.59 1.09 -1.54 -0.92 0.00 0.00 175.35 174.88 1yad s SER 38 N -2.61 4.81 0.32 2.83 1.04 -1.26 -4.85 113.70 113.98 1yad s SER 38 Ca 0.34 1.35 0.00 0.00 0.48 0.00 0.00 55.95 58.13 1yad s SER 38 Cb -0.13 -2.13 0.54 0.00 0.10 0.00 0.00 66.02 64.41 1yad s SER 38 CO 0.27 -1.77 1.97 0.00 0.98 0.00 0.00 173.24 174.69 1yad h ALA 39 N -0.95 1.46 -0.47 5.32 0.00 -1.98 -1.38 119.26 121.25 1yad h ALA 39 Ca -0.46 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.40 1yad h ALA 39 Cb 1.25 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1yad h ALA 39 CO 0.59 0.48 0.27 0.00 0.00 0.00 0.00 179.25 180.59 1yad h ALA 40 N 1.53 0.60 -0.25 0.00 0.00 -1.99 0.12 119.26 119.27 1yad h ALA 40 Ca 0.25 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 1yad h ALA 40 Cb -0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1yad h ALA 40 CO -0.05 -0.04 -0.41 -0.44 0.00 0.00 0.00 179.25 178.31 1yad h ASP 41 N 0.54 0.63 -0.14 0.00 3.32 -1.78 -1.91 116.42 117.09 1yad h ASP 41 Ca 0.19 -0.29 -0.10 0.00 0.02 0.00 0.00 57.03 56.86 1yad h ASP 41 Cb 0.03 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1yad h ASP 41 CO -0.09 0.97 -0.23 0.40 -1.72 0.00 0.00 179.24 178.56 1yad h ILE 42 N 0.49 1.27 -0.25 0.35 2.04 -0.85 -0.01 117.51 120.55 1yad h ILE 42 Ca 0.04 -1.27 -0.10 0.00 1.00 0.00 0.00 64.86 64.53 1yad h ILE 42 Cb 0.92 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1yad h ILE 42 CO 0.08 0.41 -0.28 -0.07 0.00 0.00 0.00 178.15 178.30 1yad h LEU 43 N 0.51 0.50 -0.37 1.44 3.38 -0.56 0.72 115.31 120.92 1yad h LEU 43 Ca 0.08 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1yad h LEU 43 Cb 0.67 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1yad h LEU 43 CO 0.05 0.76 0.00 0.11 0.09 0.00 0.00 178.44 179.45 1yad h LYS 44 N 0.43 0.66 -0.30 1.13 1.57 -0.81 -0.58 116.57 118.66 1yad h LYS 44 Ca 0.06 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1yad h LYS 44 Cb 0.71 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1yad h LYS 44 CO 0.05 0.76 0.15 1.25 -0.57 0.00 0.00 179.45 181.09 1yad h LEU 45 N 0.48 0.23 -0.52 2.94 5.85 -0.55 -1.11 115.31 122.63 1yad h LEU 45 Ca 0.11 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1yad h LEU 45 Cb 0.46 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1yad h LEU 45 CO 0.02 0.17 0.28 -0.07 -0.34 0.00 0.00 178.44 178.50 1yad h LEU 46 N 0.32 0.66 -0.90 2.25 3.38 -0.69 -1.98 115.31 118.36 1yad h LEU 46 Ca 0.13 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1yad h LEU 46 Cb 0.04 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 1yad h LEU 46 CO -0.08 0.58 0.59 -0.78 0.09 0.00 0.00 178.44 178.83 1yad h ASP 47 N 0.70 0.99 -0.28 -0.43 1.82 -0.78 0.29 116.42 118.73 1yad h ASP 47 Ca 0.18 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.80 1yad h ASP 47 Cb 0.07 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.84 1yad h ASP 47 CO -0.03 0.69 0.13 -0.07 -1.61 0.00 0.00 179.24 178.34 1yad h LEU 48 N 1.15 0.37 -0.60 2.28 3.38 -0.78 -0.34 115.31 120.78 1yad h LEU 48 Ca 0.35 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 1yad h LEU 48 Cb -0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1yad h LEU 48 CO -0.11 0.41 -0.59 0.16 0.09 0.00 0.00 178.44 178.41 1yad h ILE 49 N 0.31 1.23 -0.30 1.22 3.07 -0.93 -0.36 117.51 121.75 1yad h ILE 49 Ca 0.10 -2.15 -0.09 0.00 1.55 0.00 0.00 64.86 64.27 1yad h ILE 49 Cb 0.14 2.23 -0.01 0.00 -0.27 0.00 0.00 36.82 38.91 1yad h ILE 49 CO -0.01 0.57 -0.15 -0.26 -1.05 0.00 0.00 178.15 177.26 1yad h PHE 50 N 0.00 0.73 0.00 0.16 0.04 -0.25 -1.33 116.94 116.30 1yad h PHE 50 Ca -0.01 -0.18 -0.01 0.00 2.80 0.00 0.00 57.97 60.58 1yad h PHE 50 Cb 1.18 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 39.16 1yad h PHE 50 CO 0.00 0.86 -0.03 0.93 -0.60 0.00 0.00 178.31 179.48 1yad h GLU 51 N 0.39 0.00 -0.03 1.51 4.39 -0.95 -1.87 114.58 118.03 1yad h GLU 51 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1yad h GLU 51 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1yad h GLU 51 CO 0.04 0.03 0.00 0.41 -1.16 0.00 0.00 179.01 178.33 1yad n GLY 52 N 0.12 -0.62 1.41 -3.84 0.00 -0.15 -4.91 105.19 97.19 1yad n GLY 52 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1yad n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yad n GLY 53 N 1.00 0.67 3.58 -0.02 0.00 -0.70 -5.03 105.19 104.69 1yad n GLY 53 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1yad n GLY 53 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1yad n ILE 54 N -2.64 3.40 -2.94 -0.61 0.13 -0.55 -4.91 119.36 111.24 1yad n ILE 54 Ca 0.00 -0.49 -0.43 0.00 -1.10 0.00 0.00 62.75 60.72 1yad n ILE 54 Cb 0.00 -1.03 -0.05 0.00 -0.84 0.00 0.00 39.64 37.72 1yad n ILE 54 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1yad s ASP 55 N -1.28 6.25 0.60 9.51 2.15 -1.26 -4.88 116.67 127.76 1yad s ASP 55 Ca 0.75 -0.74 0.29 0.00 0.43 0.00 0.00 52.55 53.27 1yad s ASP 55 Cb -0.41 -2.39 1.43 0.00 -0.30 0.00 0.00 42.92 41.25 1yad s ASP 55 CO 0.48 -1.19 1.83 0.11 -0.17 0.00 0.00 175.17 176.23 1yad h LYS 56 N 9.29 0.00 0.00 4.34 1.57 -1.97 -1.00 116.57 128.80 1yad h LYS 56 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1yad h LYS 56 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1yad h LYS 56 CO 1.08 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.96 1yad h ARG 57 N 0.00 0.00 0.00 3.15 3.08 -1.95 -1.58 114.38 117.08 1yad h ARG 57 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1yad h ARG 57 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 1yad h ARG 57 CO -0.00 0.00 -0.58 1.63 -1.07 0.00 0.00 179.97 179.95 1yad n LYS 58 N -3.06 0.03 -2.73 0.04 5.02 -0.38 -4.93 118.16 112.14 1yad n LYS 58 Ca -0.01 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.88 1yad n LYS 58 Cb 0.17 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 1yad n LYS 58 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1yad s LEU 59 N -3.10 4.62 -0.06 -0.35 1.43 -0.60 -0.63 118.68 119.98 1yad s LEU 59 Ca 0.10 1.93 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 1yad s LEU 59 Cb 0.17 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.81 1yad s LEU 59 CO 0.72 0.10 -0.05 -0.69 0.23 0.00 0.00 176.35 176.66 1yad s VAL 60 N -0.94 0.66 -0.25 -1.59 1.01 -0.30 -4.37 120.40 114.63 1yad s VAL 60 Ca 0.42 -0.15 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 1yad s VAL 60 Cb -0.26 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 1yad s VAL 60 CO 0.32 0.27 0.44 -0.32 0.00 0.00 0.00 175.10 175.81 1yad s MET 61 N 1.22 4.08 -0.15 2.72 1.75 -0.22 0.04 119.30 128.75 1yad s MET 61 Ca -0.06 0.20 -0.22 0.00 -1.25 0.00 0.00 55.69 54.37 1yad s MET 61 Cb -0.14 -3.62 -0.03 0.00 2.84 0.00 0.00 34.83 33.88 1yad s MET 61 CO -0.02 -0.24 0.66 1.21 -0.65 0.00 0.00 175.02 175.99 1yad s ASN 62 N 1.43 6.81 0.00 1.11 3.84 -0.65 -0.64 114.94 126.85 1yad s ASN 62 Ca 0.19 0.99 0.00 0.00 0.21 0.00 0.00 52.86 54.24 1yad s ASN 62 Cb -0.15 -2.38 0.00 0.00 -0.55 0.00 0.00 41.25 38.17 1yad s ASN 62 CO 0.09 -0.21 0.00 0.61 -2.79 0.00 0.00 177.10 174.80 1yad n GLY 63 N 3.48 1.05 3.57 1.21 0.00 0.55 -4.82 105.19 110.24 1yad n GLY 63 Ca -0.01 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1yad n GLY 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yad s ARG 64 N 0.00 3.77 0.34 1.61 1.81 -1.26 -4.77 118.95 120.45 1yad s ARG 64 Ca 0.00 -1.61 0.06 0.00 -1.72 0.00 0.00 55.73 52.46 1yad s ARG 64 Cb 0.00 -5.45 0.62 0.00 -0.45 0.00 0.00 34.95 29.66 1yad s ARG 64 CO 0.00 -2.31 1.85 0.28 -0.68 0.00 0.00 175.30 174.44 1yad h VAL 65 N 6.09 1.21 -0.10 3.52 2.07 -1.89 -2.21 116.25 124.93 1yad h VAL 65 Ca 0.34 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1yad h VAL 65 Cb 0.93 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1yad h VAL 65 CO 1.44 0.30 0.03 -2.24 0.02 0.00 0.00 177.57 177.12 1yad h ASP 66 N 0.38 0.15 -0.87 0.57 3.04 -2.00 -1.41 116.42 116.27 1yad h ASP 66 Ca 0.07 -0.19 0.04 0.00 -3.24 0.00 0.00 57.03 53.71 1yad h ASP 66 Cb 0.44 -0.04 -0.05 0.00 -1.04 0.00 0.00 39.33 38.63 1yad h ASP 66 CO 0.02 0.30 0.56 0.40 -2.04 0.00 0.00 179.24 178.49 1yad h ILE 67 N -0.01 1.14 -0.19 4.15 2.04 -1.91 -1.62 117.51 121.11 1yad h ILE 67 Ca 0.03 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.54 1yad h ILE 67 Cb 0.20 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 1yad h ILE 67 CO -0.00 0.20 0.07 0.00 0.00 0.00 0.00 178.15 178.42 1yad h ALA 68 N 1.36 0.21 -0.76 1.87 0.00 -1.14 -1.20 119.26 119.61 1yad h ALA 68 Ca 0.35 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1yad h ALA 68 Cb 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1yad h ALA 68 CO -0.12 -0.36 0.48 -0.07 0.00 0.00 0.00 179.25 179.18 1yad h LEU 69 N 0.16 0.89 -0.49 0.00 3.38 -0.75 -0.74 115.31 117.76 1yad h LEU 69 Ca 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1yad h LEU 69 Cb 0.04 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1yad h LEU 69 CO -0.08 0.68 0.00 0.49 0.09 0.00 0.00 178.44 179.62 1yad n PHE 70 N -4.52 0.02 0.11 1.13 3.72 -0.66 -3.46 117.46 113.80 1yad n PHE 70 Ca 0.07 -0.01 0.02 0.00 -0.05 0.00 0.00 57.45 57.49 1yad n PHE 70 Cb 0.04 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.61 1yad n PHE 70 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1yad n SER 71 N -0.38 1.71 -2.23 4.37 7.64 -0.47 -4.99 113.62 119.27 1yad n SER 71 Ca 0.21 -1.45 -0.17 0.00 1.01 0.00 0.00 58.87 58.46 1yad n SER 71 Cb 0.23 -0.03 0.01 0.00 -1.01 0.00 0.00 64.21 63.41 1yad n SER 71 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1yad n THR 72 N 0.16 -1.28 -3.62 0.44 -1.04 -0.87 -4.98 114.28 103.08 1yad n THR 72 Ca 0.03 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.66 1yad n THR 72 Cb 0.18 -2.79 -0.11 0.00 -1.82 0.00 0.00 70.33 65.79 1yad n THR 72 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1yad s ILE 73 N -2.96 4.87 -1.01 12.58 1.01 -0.34 -4.98 121.20 130.37 1yad s ILE 73 Ca 0.15 -0.22 0.12 0.00 0.00 0.00 0.00 60.65 60.70 1yad s ILE 73 Cb -0.06 -3.43 0.55 0.00 0.01 0.00 0.00 42.46 39.53 1yad s ILE 73 CO 0.18 0.12 1.40 1.41 0.00 0.00 0.00 174.94 178.05 1yad n HIS 74 N 5.02 1.23 -4.64 3.97 8.25 -1.26 -4.31 115.22 123.48 1yad n HIS 74 Ca -0.14 -0.47 -0.26 0.00 -0.26 0.00 0.00 57.72 56.59 1yad n HIS 74 Cb 0.50 -0.26 -0.17 0.00 1.12 0.00 0.00 29.99 31.19 1yad n HIS 74 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1yad s ARG 75 N -1.92 1.98 0.04 -0.41 0.52 -1.26 -0.60 118.95 117.30 1yad s ARG 75 Ca 0.38 -0.50 0.04 0.00 -0.52 0.00 0.00 55.73 55.13 1yad s ARG 75 Cb 0.26 -1.62 -0.02 0.00 0.52 0.00 0.00 34.95 34.09 1yad s ARG 75 CO 0.16 0.03 -0.12 0.14 0.02 0.00 0.00 175.30 175.53 1yad s VAL 76 N 0.69 0.97 -0.24 3.52 -7.23 -0.84 -1.05 120.40 116.22 1yad s VAL 76 Ca -0.14 -1.02 -0.01 0.00 -1.81 0.00 0.00 61.98 59.00 1yad s VAL 76 Cb -0.16 -0.91 0.03 0.00 0.56 0.00 0.00 36.38 35.90 1yad s VAL 76 CO 0.03 -0.10 -0.07 -1.58 -0.31 0.00 0.00 175.10 173.08 1yad s GLN 77 N -1.26 2.84 -0.28 4.82 2.00 0.19 -1.08 119.66 126.89 1yad s GLN 77 Ca -0.01 -0.97 -0.16 0.00 -2.00 0.00 0.00 55.36 52.22 1yad s GLN 77 Cb -0.08 -2.96 -0.03 0.00 0.80 0.00 0.00 33.01 30.74 1yad s GLN 77 CO 0.01 -0.39 0.41 -0.51 -0.50 0.00 0.00 175.29 174.31 1yad s LEU 78 N 1.32 4.11 0.69 3.68 1.43 0.44 -0.33 118.68 130.01 1yad s LEU 78 Ca 0.00 0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.20 1yad s LEU 78 Cb -0.16 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.60 1yad s LEU 78 CO -0.05 -0.25 1.12 -2.84 0.23 0.00 0.00 176.35 174.56 1yad s PRO 79 N 2.13 2.64 0.20 1.29 0.02 -1.26 -1.47 135.00 138.54 1yad s PRO 79 Ca 0.16 1.39 -0.32 0.00 0.02 0.00 0.00 61.00 62.25 1yad s PRO 79 Cb -0.16 -1.93 -0.12 0.00 0.02 0.00 0.00 34.50 32.31 1yad s PRO 79 CO 0.10 -1.38 1.75 0.45 -0.33 0.00 0.00 177.00 177.59 1yad n SER 80 N -2.63 4.02 0.00 2.53 2.88 -1.23 -1.71 113.62 117.48 1yad n SER 80 Ca 0.10 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1yad n SER 80 Cb 0.52 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 1yad n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1yad n GLY 81 N 4.02 0.84 0.00 0.46 0.00 -1.26 -5.04 105.19 104.21 1yad n GLY 81 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1yad n GLY 81 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yad n SER 82 N 0.00 0.00 -4.66 1.61 2.88 -0.69 -5.03 113.62 107.73 1yad n SER 82 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1yad n SER 82 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 1yad n SER 82 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1yad n PHE 83 N 0.00 1.66 -3.03 0.66 3.72 -1.26 -4.98 117.46 114.23 1yad n PHE 83 Ca 0.00 0.52 -0.36 0.00 -0.05 0.00 0.00 57.45 57.57 1yad n PHE 83 Cb 0.00 -2.30 -0.06 0.00 -0.94 0.00 0.00 39.48 36.18 1yad n PHE 83 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1yad s SER 84 N -0.67 7.07 0.27 4.37 1.04 -1.26 -4.92 113.70 119.60 1yad s SER 84 Ca 0.63 1.50 -0.03 0.00 0.48 0.00 0.00 55.95 58.53 1yad s SER 84 Cb -0.52 -2.45 0.37 0.00 0.10 0.00 0.00 66.02 63.52 1yad s SER 84 CO 0.57 -0.04 1.90 -0.65 0.98 0.00 0.00 173.24 176.00 1yad h PRO 85 N 3.13 1.19 -0.29 4.02 0.11 -1.94 -2.81 132.00 135.41 1yad h PRO 85 Ca -0.48 -0.07 0.05 0.00 0.11 0.00 0.00 66.00 65.61 1yad h PRO 85 Cb 1.19 -0.27 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 1yad h PRO 85 CO 0.65 0.79 0.02 0.87 -0.21 0.00 0.00 178.00 180.12 1yad h LYS 86 N 1.23 0.11 -0.26 1.05 6.56 -1.82 0.13 116.57 123.57 1yad h LYS 86 Ca 0.41 -0.01 -0.09 0.00 -1.06 0.00 0.00 60.65 59.90 1yad h LYS 86 Cb 0.06 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.68 1yad h LYS 86 CO -0.14 0.07 -0.22 -0.56 -2.06 0.00 0.00 179.45 176.55 1yad h GLN 87 N 0.11 0.48 -0.03 3.15 3.07 -1.86 -1.44 115.11 118.60 1yad h GLN 87 Ca 0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 58.65 58.70 1yad h GLN 87 Cb 0.17 -0.04 -0.00 0.00 0.08 0.00 0.00 27.48 27.69 1yad h GLN 87 CO -0.21 0.67 -0.01 0.82 0.09 0.00 0.00 178.83 180.19 1yad h ILE 88 N 0.43 1.29 -0.08 1.86 1.08 -1.19 -3.10 117.51 117.79 1yad h ILE 88 Ca 0.07 -0.86 -0.04 0.00 -0.39 0.00 0.00 64.86 63.64 1yad h ILE 88 Cb 0.62 1.81 -0.01 0.00 -3.07 0.00 0.00 36.82 36.18 1yad h ILE 88 CO 0.04 0.23 -0.13 -0.09 -0.69 0.00 0.00 178.15 177.51 1yad h ARG 89 N -0.29 0.12 -0.78 2.37 2.43 -0.61 0.23 114.38 117.86 1yad h ARG 89 Ca 0.01 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1yad h ARG 89 Cb 0.37 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1yad h ARG 89 CO 0.00 0.27 0.51 0.00 -1.51 0.00 0.00 179.97 179.24 1yad h ALA 90 N 1.75 0.99 0.11 2.80 0.00 -1.19 -2.58 119.26 121.14 1yad h ALA 90 Ca 0.03 -0.06 -0.29 0.00 0.00 0.00 0.00 54.91 54.58 1yad h ALA 90 Cb 0.32 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1yad h ALA 90 CO 0.02 0.41 -1.53 0.00 0.00 0.00 0.00 179.25 178.15 1yad h ARG 91 N 1.06 0.24 -2.92 0.00 2.47 -1.44 -3.42 114.38 110.37 1yad h ARG 91 Ca 0.28 -0.41 -0.62 0.00 -1.26 0.00 0.00 59.98 57.98 1yad h ARG 91 Cb -0.11 0.15 -0.42 0.00 -1.65 0.00 0.00 29.97 27.95 1yad h ARG 91 CO -0.06 1.20 -0.60 1.19 0.56 0.00 0.00 179.97 182.25 1yad n PHE 92 N -3.86 3.02 0.11 3.04 3.72 0.79 -4.94 117.46 119.34 1yad n PHE 92 Ca -0.27 -4.23 0.11 0.00 -0.05 0.00 0.00 57.45 53.02 1yad n PHE 92 Cb 0.92 -0.56 0.60 0.00 -0.94 0.00 0.00 39.48 39.50 1yad n PHE 92 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1yad h PRO 93 N 5.24 0.13 0.00 -1.08 0.11 -1.67 -2.78 132.00 131.95 1yad h PRO 93 Ca 0.16 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1yad h PRO 93 Cb 0.75 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 1yad h PRO 93 CO 0.71 0.09 -0.07 1.12 -0.21 0.00 0.00 178.00 179.64 1yad h HIS 94 N 0.14 0.00 -3.74 0.65 2.07 -1.92 -3.45 115.15 108.89 1yad h HIS 94 Ca 0.12 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.12 1yad h HIS 94 Cb 0.32 0.00 0.05 0.00 2.57 0.00 0.00 27.41 30.36 1yad h HIS 94 CO -0.00 0.07 0.63 -0.51 -3.07 0.00 0.00 177.93 175.04 1yad s LEU 95 N -6.49 4.44 -0.23 6.12 1.43 -1.05 -4.96 118.68 117.94 1yad s LEU 95 Ca -0.01 2.58 -0.19 0.00 -1.03 0.00 0.00 54.13 55.49 1yad s LEU 95 Cb 0.10 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 1yad s LEU 95 CO 0.55 -0.49 0.54 -2.28 0.23 0.00 0.00 176.35 174.90 1yad s HIS 96 N -0.83 3.32 -0.23 0.29 5.65 0.23 -5.01 115.29 118.71 1yad s HIS 96 Ca 0.50 0.75 -0.05 0.00 0.25 0.00 0.00 55.06 56.51 1yad s HIS 96 Cb -0.38 -2.73 -0.02 0.00 -1.18 0.00 0.00 32.58 28.28 1yad s HIS 96 CO 0.48 -0.21 0.00 0.42 -0.65 0.00 0.00 174.74 174.78 1yad s ILE 97 N 2.03 3.75 0.01 0.89 1.01 -1.26 -1.98 121.20 125.65 1yad s ILE 97 Ca 0.24 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.53 1yad s ILE 97 Cb -0.16 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 1yad s ILE 97 CO 0.09 0.39 0.05 -0.83 0.00 0.00 0.00 174.94 174.65 1yad s GLY 98 N 1.52 1.97 -0.07 6.18 0.00 -0.24 -0.08 107.32 116.61 1yad s GLY 98 Ca 0.06 -0.91 0.04 0.00 0.00 0.00 0.00 44.72 43.91 1yad s GLY 98 CO -0.01 -0.80 -0.20 0.50 0.00 0.00 0.00 173.10 172.60 1yad s ARG 99 N -1.75 2.32 -0.37 2.90 1.81 -0.62 -0.42 118.95 122.81 1yad s ARG 99 Ca 0.22 -0.71 -0.22 0.00 -1.72 0.00 0.00 55.73 53.30 1yad s ARG 99 Cb -0.12 -1.88 0.01 0.00 -0.45 0.00 0.00 34.95 32.51 1yad s ARG 99 CO 0.14 0.20 0.72 -1.12 -0.68 0.00 0.00 175.30 174.56 1yad s SER 100 N 0.23 6.48 0.21 0.23 0.01 -0.55 -0.05 113.70 120.25 1yad s SER 100 Ca -0.11 0.18 0.10 0.00 1.31 0.00 0.00 55.95 57.43 1yad s SER 100 Cb -0.15 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 1yad s SER 100 CO 0.05 -0.70 -0.12 0.68 0.41 0.00 0.00 173.24 173.56 1yad s VAL 101 N 2.96 2.99 -0.04 3.43 -7.23 -0.57 -3.51 120.40 118.42 1yad s VAL 101 Ca 0.28 -1.85 0.06 0.00 -1.81 0.00 0.00 61.98 58.66 1yad s VAL 101 Cb -0.14 -2.50 0.09 0.00 0.56 0.00 0.00 36.38 34.40 1yad s VAL 101 CO 0.17 -0.18 1.01 1.41 -0.31 0.00 0.00 175.10 177.20 1yad n HIS 102 N -0.12 0.00 -3.62 2.82 8.25 -1.26 -2.59 115.22 118.69 1yad n HIS 102 Ca -0.10 -0.34 -0.08 0.00 -0.26 0.00 0.00 57.72 56.94 1yad n HIS 102 Cb 0.57 -0.08 -0.02 0.00 1.12 0.00 0.00 29.99 31.58 1yad n HIS 102 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1yad s SER 103 N -1.52 -0.37 0.16 0.41 1.04 -1.26 -4.91 113.70 107.25 1yad s SER 103 Ca 0.10 -0.25 -0.14 0.00 0.48 0.00 0.00 55.95 56.14 1yad s SER 103 Cb 0.09 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.84 1yad s SER 103 CO 0.01 -1.00 1.77 0.25 0.98 0.00 0.00 173.24 175.25 1yad h LEU 104 N 2.00 0.65 -0.09 2.42 5.85 -1.98 -2.04 115.31 122.12 1yad h LEU 104 Ca -0.26 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.38 1yad h LEU 104 Cb 1.26 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1yad h LEU 104 CO 0.30 0.57 0.01 -0.33 -0.34 0.00 0.00 178.44 178.64 1yad h GLU 105 N 0.69 0.04 -0.44 1.25 3.07 -2.00 -2.00 114.58 115.19 1yad h GLU 105 Ca 0.18 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.00 1yad h GLU 105 Cb 0.06 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 1yad h GLU 105 CO -0.03 0.03 0.10 1.49 -1.40 0.00 0.00 179.01 179.20 1yad h GLU 106 N 0.04 0.66 -0.31 2.33 4.81 -1.93 -1.85 114.58 118.33 1yad h GLU 106 Ca 0.04 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1yad h GLU 106 Cb 0.04 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1yad h GLU 106 CO -0.06 0.60 0.07 0.00 -0.73 0.00 0.00 179.01 178.89 1yad h ALA 107 N 1.47 0.41 -0.46 2.92 0.00 -1.03 -0.40 119.26 122.17 1yad h ALA 107 Ca 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1yad h ALA 107 Cb 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1yad h ALA 107 CO -0.00 0.08 0.20 0.28 0.00 0.00 0.00 179.25 179.81 1yad h VAL 108 N 0.34 1.20 -0.51 0.00 2.07 -1.11 -2.18 116.25 116.07 1yad h VAL 108 Ca 0.10 -0.61 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 1yad h VAL 108 Cb 0.31 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1yad h VAL 108 CO 0.00 0.23 0.07 -0.61 0.02 0.00 0.00 177.57 177.28 1yad h GLN 109 N 0.61 0.81 -0.84 1.57 5.75 -1.25 -1.74 115.11 120.02 1yad h GLN 109 Ca 0.16 -0.19 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1yad h GLN 109 Cb 0.17 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.57 1yad h GLN 109 CO -0.01 0.77 0.48 0.00 -2.65 0.00 0.00 178.83 177.42 1yad h ALA 110 N 1.30 1.26 -0.61 3.38 0.00 -0.68 -0.01 119.26 123.91 1yad h ALA 110 Ca 0.16 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1yad h ALA 110 Cb 0.37 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1yad h ALA 110 CO 0.01 0.61 0.05 1.49 0.00 0.00 0.00 179.25 181.41 1yad h GLU 111 N 1.17 1.03 -0.26 0.00 4.81 -0.77 -2.06 114.58 118.51 1yad h GLU 111 Ca 0.30 -0.30 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1yad h GLU 111 Cb -0.01 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1yad h GLU 111 CO -0.05 0.99 -0.05 0.87 -0.73 0.00 0.00 179.01 180.04 1yad h LYS 112 N 0.94 0.41 -0.53 1.92 1.57 -0.45 -2.22 116.57 118.20 1yad h LYS 112 Ca 0.18 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1yad h LYS 112 Cb 0.49 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1yad h LYS 112 CO 0.02 0.48 0.00 0.39 -0.57 0.00 0.00 179.45 179.77 1yad n GLU 113 N -4.28 1.55 -2.44 3.15 1.02 -0.11 -4.89 120.64 114.65 1yad n GLU 113 Ca 0.01 -0.57 -0.12 0.00 -0.02 0.00 0.00 57.16 56.45 1yad n GLU 113 Cb 0.25 -1.38 0.01 0.00 -0.02 0.00 0.00 31.44 30.30 1yad n GLU 113 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1yad n ASP 114 N 0.02 -3.97 -4.79 1.62 4.64 -0.83 -2.40 116.55 110.84 1yad n ASP 114 Ca 0.05 -0.08 -0.34 0.00 -1.38 0.00 0.00 54.79 53.04 1yad n ASP 114 Cb 0.28 -3.04 0.00 0.00 -1.04 0.00 0.00 41.12 37.32 1yad n ASP 114 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1yad s ALA 115 N -2.73 2.72 -0.21 -1.67 0.00 -0.80 -4.90 121.76 114.17 1yad s ALA 115 Ca 0.08 0.62 0.18 0.00 0.00 0.00 0.00 51.96 52.83 1yad s ALA 115 Cb -0.03 -3.29 0.06 0.00 0.00 0.00 0.00 23.12 19.85 1yad s ALA 115 CO 0.10 -0.72 1.29 -0.44 0.00 0.00 0.00 175.76 175.98 1yad h ASP 116 N 0.94 0.00 -5.04 0.00 3.32 -0.83 -3.45 116.42 111.36 1yad h ASP 116 Ca -0.49 0.00 0.22 0.00 0.02 0.00 0.00 57.03 56.79 1yad h ASP 116 Cb 1.24 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.65 1yad h ASP 116 CO 0.57 0.38 0.66 -0.72 -1.72 0.00 0.00 179.24 178.41 1yad s TYR 117 N -3.04 -0.15 0.08 4.55 -0.85 -1.15 -4.12 117.35 112.66 1yad s TYR 117 Ca 0.02 0.00 0.09 0.00 -0.52 0.00 0.00 57.07 56.67 1yad s TYR 117 Cb 0.08 0.56 -0.03 0.00 0.38 0.00 0.00 41.96 42.94 1yad s TYR 117 CO 0.75 -0.46 -0.25 0.14 -1.52 0.00 0.00 175.55 174.21 1yad s VAL 118 N -2.79 2.06 -0.41 -3.49 -7.23 -0.54 -1.60 120.40 106.40 1yad s VAL 118 Ca 0.10 -1.48 -0.07 0.00 -1.81 0.00 0.00 61.98 58.72 1yad s VAL 118 Cb 0.01 -1.79 0.08 0.00 0.56 0.00 0.00 36.38 35.24 1yad s VAL 118 CO -0.04 0.22 0.23 -0.22 -0.31 0.00 0.00 175.10 174.98 1yad s LEU 119 N -1.54 5.08 -0.12 1.32 2.96 0.92 -0.92 118.68 126.38 1yad s LEU 119 Ca 0.11 -1.62 -0.04 0.00 -0.22 0.00 0.00 54.13 52.36 1yad s LEU 119 Cb -0.10 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 1yad s LEU 119 CO 0.03 -0.52 0.02 0.12 -1.32 0.00 0.00 176.35 174.68 1yad s PHE 120 N 1.34 3.20 -3.33 5.38 5.36 0.39 -1.51 117.98 128.81 1yad s PHE 120 Ca 0.03 0.12 0.00 0.00 -0.96 0.00 0.00 56.93 56.12 1yad s PHE 120 Cb -0.23 -1.89 0.00 0.00 -0.34 0.00 0.00 43.02 40.56 1yad s PHE 120 CO 0.00 0.35 0.00 0.41 -1.46 0.00 0.00 175.22 174.52 1yad n GLY 121 N 2.64 0.16 0.03 13.12 0.00 -1.07 -1.92 105.19 118.15 1yad n GLY 121 Ca -0.18 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1yad n GLY 121 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1yad n HIS 122 N 6.00 0.00 -0.30 1.61 -0.00 0.30 -4.88 115.22 117.94 1yad n HIS 122 Ca 0.00 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.14 1yad n HIS 122 Cb 0.00 -0.06 0.08 0.00 -0.12 0.00 0.00 29.99 29.89 1yad n HIS 122 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1yad h VAL 123 N 0.00 1.22 -1.95 3.57 2.07 -1.36 -3.43 116.25 116.37 1yad h VAL 123 Ca 0.00 -0.44 -0.66 0.00 0.82 0.00 0.00 66.70 66.43 1yad h VAL 123 Cb 0.02 0.04 -0.37 0.00 -1.52 0.00 0.00 31.29 29.46 1yad h VAL 123 CO 0.00 0.22 -0.10 0.49 0.02 0.00 0.00 177.57 178.20 1yad n PHE 124 N -4.49 3.43 -0.58 1.57 3.72 -0.52 -4.31 117.46 116.29 1yad n PHE 124 Ca 0.08 -3.15 0.00 0.00 -0.05 0.00 0.00 57.45 54.33 1yad n PHE 124 Cb 0.03 -0.58 0.00 0.00 -0.94 0.00 0.00 39.48 37.99 1yad n PHE 124 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1yad n LEU 132 N -0.36 0.00 -3.73 4.37 4.32 -1.26 -4.91 117.00 115.43 1yad n LEU 132 Ca 0.41 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 56.15 1yad n LEU 132 Cb 0.44 -0.02 0.05 0.00 -1.62 0.00 0.00 43.42 42.27 1yad n LEU 132 CO 0.40 0.00 0.09 -0.62 -1.22 0.00 0.00 177.39 176.03 1yad n GLU 133 N -2.04 -6.02 -0.87 3.23 1.02 -1.26 -1.69 120.64 113.02 1yad n GLU 133 Ca 0.00 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 1yad n GLU 133 Cb 0.00 -5.53 0.00 0.00 -0.02 0.00 0.00 31.44 25.89 1yad n GLU 133 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yad n GLY 134 N -1.66 0.26 0.28 0.62 0.00 -1.26 -4.84 105.19 98.59 1yad n GLY 134 Ca -0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.05 1yad n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yad n ARG 135 N -1.12 1.38 -0.11 1.61 1.74 -0.68 -4.54 116.66 114.93 1yad n ARG 135 Ca 0.00 -0.56 -0.09 0.00 -0.77 0.00 0.00 57.85 56.43 1yad n ARG 135 Cb 0.18 -1.44 -0.07 0.00 -1.02 0.00 0.00 32.46 30.12 1yad n ARG 135 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1yad h GLY 136 N 5.01 -1.34 1.25 -0.13 0.00 -1.76 0.35 103.07 106.45 1yad h GLY 136 Ca 0.00 0.77 -0.07 0.00 0.00 0.00 0.00 47.33 48.03 1yad h GLY 136 CO 0.00 -0.33 0.07 -2.08 0.00 0.00 0.00 176.54 174.20 1yad h VAL 137 N -0.24 1.25 -0.24 4.60 2.07 -1.80 -0.41 116.25 121.48 1yad h VAL 137 Ca 0.05 -0.97 -0.05 0.00 0.82 0.00 0.00 66.70 66.55 1yad h VAL 137 Cb 0.38 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1yad h VAL 137 CO -0.41 0.36 -0.06 0.28 0.02 0.00 0.00 177.57 177.75 1yad h SER 138 N 0.86 0.46 -0.34 0.57 0.02 -1.81 -2.80 113.55 110.52 1yad h SER 138 Ca 0.17 -0.37 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1yad h SER 138 Cb 0.41 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1yad h SER 138 CO 0.01 0.72 0.21 -0.07 -1.14 0.00 0.00 176.83 176.56 1yad h LEU 139 N 0.19 0.42 -0.22 5.07 3.38 -0.12 -0.95 115.31 123.08 1yad h LEU 139 Ca 0.06 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1yad h LEU 139 Cb 0.52 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1yad h LEU 139 CO 0.02 0.33 -0.06 0.25 0.09 0.00 0.00 178.44 179.07 1yad h LEU 140 N 0.49 -0.22 -0.46 1.67 5.85 -0.81 0.32 115.31 122.14 1yad h LEU 140 Ca 0.13 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 1yad h LEU 140 Cb -0.01 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1yad h LEU 140 CO -0.02 -0.08 0.06 0.28 -0.34 0.00 0.00 178.44 178.34 1yad h SER 141 N -0.01 0.73 -0.92 1.25 0.02 -1.17 -2.04 113.55 111.42 1yad h SER 141 Ca 0.11 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1yad h SER 141 Cb 0.17 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 1yad h SER 141 CO -0.23 0.82 0.61 0.44 -1.14 0.00 0.00 176.83 177.32 1yad h ASP 142 N 0.62 1.04 -0.15 3.07 3.32 -0.49 -1.94 116.42 121.90 1yad h ASP 142 Ca 0.14 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 1yad h ASP 142 Cb 0.40 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1yad h ASP 142 CO 0.01 0.75 -0.11 0.40 -1.72 0.00 0.00 179.24 178.57 1yad h ILE 143 N 1.23 1.33 -0.14 0.35 2.04 -0.22 -2.44 117.51 119.67 1yad h ILE 143 Ca 0.34 -1.22 0.04 0.00 1.00 0.00 0.00 64.86 65.02 1yad h ILE 143 Cb -0.12 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1yad h ILE 143 CO -0.08 0.36 0.10 0.11 0.00 0.00 0.00 178.15 178.64 1yad h LYS 144 N -0.03 0.00 0.00 2.37 1.79 -1.11 0.33 116.57 119.92 1yad h LYS 144 Ca 0.03 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.38 1yad h LYS 144 Cb 0.62 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.25 1yad h LYS 144 CO 0.03 0.00 -0.61 1.96 -1.08 0.00 0.00 179.45 179.74 1yad h GLN 145 N 0.00 0.00 0.03 3.15 1.08 -1.24 -3.36 115.11 114.76 1yad h GLN 145 Ca 0.07 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.93 1yad h GLN 145 Cb 0.27 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.65 1yad h GLN 145 CO -0.00 0.48 -1.98 -2.13 -0.95 0.00 0.00 178.83 174.25 1yad n ARG 146 N -3.18 0.67 -4.32 1.46 3.00 -0.44 -4.98 116.66 108.87 1yad n ARG 146 Ca 0.01 0.21 -0.23 0.00 -0.00 0.00 0.00 57.85 57.84 1yad n ARG 146 Cb 0.75 -1.69 -0.08 0.00 0.00 0.00 0.00 32.46 31.44 1yad n ARG 146 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1yad s ILE 147 N -2.56 3.17 -0.68 5.15 -4.36 -0.02 -5.05 121.20 116.85 1yad s ILE 147 Ca -0.12 -2.00 0.16 0.00 -0.26 0.00 0.00 60.65 58.43 1yad s ILE 147 Cb 0.07 -2.75 -0.19 0.00 1.25 0.00 0.00 42.46 40.85 1yad s ILE 147 CO 0.79 -0.35 0.65 -1.20 0.24 0.00 0.00 174.94 175.07 1yad n SER 148 N -0.87 0.81 -4.88 4.36 7.64 -1.26 -4.71 113.62 114.72 1yad n SER 148 Ca -0.06 -0.78 -0.30 0.00 1.01 0.00 0.00 58.87 58.75 1yad n SER 148 Cb 0.60 1.09 -0.02 0.00 -1.01 0.00 0.00 64.21 64.87 1yad n SER 148 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1yad s ILE 149 N -2.61 4.77 0.47 0.44 -4.36 -1.26 -5.02 121.20 113.63 1yad s ILE 149 Ca 0.05 0.63 -0.23 0.00 -0.26 0.00 0.00 60.65 60.83 1yad s ILE 149 Cb 0.12 -3.78 -0.09 0.00 1.25 0.00 0.00 42.46 39.96 1yad s ILE 149 CO 0.67 -0.72 1.08 -2.65 0.24 0.00 0.00 174.94 173.57 1yad n PRO 150 N -1.79 1.42 -4.07 0.37 -0.02 -1.26 -4.81 135.00 124.84 1yad n PRO 150 Ca 0.03 0.52 -0.32 0.00 -2.02 0.00 0.00 63.50 61.71 1yad n PRO 150 Cb 0.54 -2.18 -0.16 0.00 -0.02 0.00 0.00 33.50 31.68 1yad n PRO 150 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1yad s VAL 151 N -1.31 1.92 -0.22 -1.45 1.01 -1.26 -1.46 120.40 117.63 1yad s VAL 151 Ca 0.66 -1.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 1yad s VAL 151 Cb -0.51 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1yad s VAL 151 CO 0.55 0.35 0.06 -0.63 0.00 0.00 0.00 175.10 175.43 1yad s ILE 152 N 1.31 4.44 0.04 2.22 -1.09 -0.10 -0.70 121.20 127.32 1yad s ILE 152 Ca 0.01 -0.14 -0.23 0.00 -2.23 0.00 0.00 60.65 58.07 1yad s ILE 152 Cb -0.15 -3.04 -0.06 0.00 -1.58 0.00 0.00 42.46 37.63 1yad s ILE 152 CO -0.10 0.39 0.68 0.00 -1.23 0.00 0.00 174.94 174.68 1yad s ALA 153 N 1.10 3.45 0.03 9.38 0.00 -0.10 -0.46 121.76 135.16 1yad s ALA 153 Ca 0.04 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1yad s ALA 153 Cb -0.14 -2.85 -0.02 0.00 0.00 0.00 0.00 23.12 20.10 1yad s ALA 153 CO 0.03 0.17 -0.04 -1.50 0.00 0.00 0.00 175.76 174.41 1yad s ILE 154 N -0.34 0.25 0.00 0.00 2.07 -0.81 0.19 121.20 122.56 1yad s ILE 154 Ca 0.34 -1.12 0.00 0.00 -1.41 0.00 0.00 60.65 58.46 1yad s ILE 154 Cb -0.20 -0.58 0.00 0.00 0.13 0.00 0.00 42.46 41.81 1yad s ILE 154 CO 0.21 -0.56 0.00 0.61 -1.91 0.00 0.00 174.94 173.29 1yad n GLY 155 N 1.28 1.55 2.29 1.50 0.00 -1.26 0.11 105.19 110.67 1yad n GLY 155 Ca -0.22 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 1yad n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yad n GLY 156 N 0.17 0.43 3.68 -0.02 0.00 -1.26 -1.44 105.19 106.75 1yad n GLY 156 Ca 0.00 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1yad n GLY 156 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1yad s MET 157 N -4.04 4.24 0.17 1.61 -1.94 -1.26 -4.83 119.30 113.25 1yad s MET 157 Ca 0.00 2.09 0.05 0.00 -1.71 0.00 0.00 55.69 56.13 1yad s MET 157 Cb 0.00 -3.65 -0.05 0.00 2.01 0.00 0.00 34.83 33.14 1yad s MET 157 CO 0.00 -0.67 -0.10 0.95 -0.01 0.00 0.00 175.02 175.19 1yad s THR 158 N 2.77 1.30 0.33 2.05 -4.23 -1.26 -4.81 115.64 111.80 1yad s THR 158 Ca 0.68 -2.10 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 1yad s THR 158 Cb -0.34 -1.94 0.29 0.00 1.34 0.00 0.00 72.50 71.85 1yad s THR 158 CO 0.28 -0.67 1.91 -0.65 -0.54 0.00 0.00 174.62 174.95 1yad h PRO 159 N 2.70 0.85 0.00 3.99 0.11 -1.94 -1.54 132.00 136.16 1yad h PRO 159 Ca -0.37 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1yad h PRO 159 Cb 1.20 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1yad h PRO 159 CO 0.63 0.56 0.00 -0.25 -0.21 0.00 0.00 178.00 178.73 1yad n ASP 160 N -4.51 0.06 -0.53 -2.05 8.00 -1.26 -2.67 116.55 113.58 1yad n ASP 160 Ca 0.14 0.51 0.08 0.00 0.71 0.00 0.00 54.79 56.23 1yad n ASP 160 Cb 0.28 -0.53 0.04 0.00 -0.02 0.00 0.00 41.12 40.90 1yad n ASP 160 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1yad n ARG 161 N -1.56 1.39 -0.19 -1.24 1.74 -0.59 -4.61 116.66 111.59 1yad n ARG 161 Ca 0.04 -1.21 -0.06 0.00 -0.77 0.00 0.00 57.85 55.85 1yad n ARG 161 Cb 0.20 -1.28 0.11 0.00 -1.02 0.00 0.00 32.46 30.47 1yad n ARG 161 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1yad h LEU 162 N 2.62 0.93 -0.22 0.55 3.38 -1.35 -2.68 115.31 118.54 1yad h LEU 162 Ca 0.00 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.79 1yad h LEU 162 Cb 0.61 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1yad h LEU 162 CO 0.00 0.93 0.08 0.03 0.09 0.00 0.00 178.44 179.57 1yad h ARG 163 N 0.93 0.18 -0.27 1.13 2.47 -1.81 0.21 114.38 117.22 1yad h ARG 163 Ca 0.19 -0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.92 1yad h ARG 163 Cb 0.38 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.64 1yad h ARG 163 CO 0.01 0.12 0.13 -0.44 0.56 0.00 0.00 179.97 180.34 1yad h ASP 164 N 0.19 0.18 -0.90 7.04 3.32 -1.85 0.11 116.42 124.51 1yad h ASP 164 Ca 0.10 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1yad h ASP 164 Cb 0.06 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1yad h ASP 164 CO -0.10 0.14 0.55 0.58 -1.72 0.00 0.00 179.24 178.69 1yad h VAL 165 N 0.27 1.25 -0.14 -1.35 2.07 -1.11 -0.94 116.25 116.30 1yad h VAL 165 Ca 0.11 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1yad h VAL 165 Cb 0.04 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 1yad h VAL 165 CO -0.09 0.26 0.04 0.11 0.02 0.00 0.00 177.57 177.91 1yad h LYS 166 N 1.24 0.21 -0.28 1.57 6.56 -0.01 -2.37 116.57 123.49 1yad h LYS 166 Ca 0.32 -0.05 0.06 0.00 -1.06 0.00 0.00 60.65 59.93 1yad h LYS 166 Cb -0.06 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.56 1yad h LYS 166 CO -0.06 0.35 0.20 1.96 -2.06 0.00 0.00 179.45 179.84 1yad h GLN 167 N 0.04 0.09 0.00 3.15 4.20 -0.39 0.96 115.11 123.16 1yad h GLN 167 Ca 0.04 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1yad h GLN 167 Cb 0.23 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1yad h GLN 167 CO -0.00 0.06 0.00 0.00 -0.67 0.00 0.00 178.83 178.22 1yad n ALA 168 N -2.57 1.78 0.00 3.87 0.00 -0.39 -4.88 120.51 118.32 1yad n ALA 168 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yad n ALA 168 Cb 0.30 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1yad n ALA 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yad n GLY 169 N 0.25 0.58 3.68 0.00 0.00 0.33 -3.40 105.19 106.63 1yad n GLY 169 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 1yad n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yad n ALA 170 N -1.83 1.11 1.37 4.61 0.00 -1.09 -4.88 120.51 119.80 1yad n ALA 170 Ca 0.00 0.40 0.14 0.00 0.00 0.00 0.00 53.44 53.97 1yad n ALA 170 Cb 0.00 -2.26 0.52 0.00 0.00 0.00 0.00 19.45 17.71 1yad n ALA 170 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1yad n ASP 171 N 1.71 0.76 0.00 0.00 8.00 0.12 -4.79 116.55 122.35 1yad n ASP 171 Ca 0.09 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.81 1yad n ASP 171 Cb 0.33 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 1yad n ASP 171 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yad n GLY 172 N 1.29 0.65 3.25 0.44 0.00 -1.22 -1.98 105.19 107.62 1yad n GLY 172 Ca 0.14 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 1yad n GLY 172 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1yad s ILE 173 N -2.00 1.48 -0.08 -0.61 -4.36 0.30 -0.93 121.20 114.99 1yad s ILE 173 Ca 0.00 -1.59 0.05 0.00 -0.26 0.00 0.00 60.65 58.85 1yad s ILE 173 Cb 0.00 -1.47 -0.01 0.00 1.25 0.00 0.00 42.46 42.23 1yad s ILE 173 CO 0.00 -0.24 -0.23 0.00 0.24 0.00 0.00 174.94 174.72 1yad s ALA 174 N -1.59 2.25 -0.07 2.27 0.00 0.13 -0.20 121.76 124.55 1yad s ALA 174 Ca 0.06 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1yad s ALA 174 Cb -0.08 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.26 1yad s ALA 174 CO 0.04 0.37 -0.13 0.08 0.00 0.00 0.00 175.76 176.12 1yad s VAL 175 N 0.01 1.20 0.00 0.00 1.01 0.96 -4.27 120.40 119.31 1yad s VAL 175 Ca -0.08 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1yad s VAL 175 Cb -0.15 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.13 1yad s VAL 175 CO 0.05 0.37 0.00 0.80 0.00 0.00 0.00 175.10 176.33 1yad n MET 176 N 3.92 0.00 0.05 2.72 1.56 -1.26 -0.94 117.12 123.17 1yad n MET 176 Ca -0.22 0.00 0.05 0.00 -0.27 0.00 0.00 57.70 57.26 1yad n MET 176 Cb 0.52 0.00 0.46 0.00 2.15 0.00 0.00 33.22 36.35 1yad n MET 176 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 1yad h SER 177 N 0.00 0.39 -0.37 6.12 4.64 -1.95 -1.59 113.55 120.78 1yad h SER 177 Ca 0.00 -0.01 0.11 0.00 -0.47 0.00 0.00 61.79 61.42 1yad h SER 177 Cb 0.00 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1yad h SER 177 CO 0.00 0.29 0.43 1.23 -0.87 0.00 0.00 176.83 177.91 1yad h GLY 178 N 0.47 0.00 0.00 -0.77 0.00 -1.87 -1.11 103.07 99.78 1yad h GLY 178 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.35 1yad h GLY 178 CO -0.03 0.00 -1.06 1.39 0.00 0.00 0.00 176.54 176.85 1yad n ILE 179 N -3.65 1.15 0.32 2.60 5.41 -0.90 -4.55 119.36 119.73 1yad n ILE 179 Ca 0.06 0.07 0.16 0.00 1.00 0.00 0.00 62.75 64.05 1yad n ILE 179 Cb 0.60 -1.88 0.66 0.00 -0.71 0.00 0.00 39.64 38.32 1yad n ILE 179 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1yad h PHE 180 N -0.53 0.00 -0.01 1.39 0.04 -1.30 -2.63 116.94 113.90 1yad h PHE 180 Ca -0.15 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.62 1yad h PHE 180 Cb 0.86 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.01 1yad h PHE 180 CO -0.16 0.00 -0.61 0.43 -0.60 0.00 0.00 178.31 177.37 1yad n SER 181 N -2.77 1.36 -4.78 2.17 7.64 -0.42 -4.96 113.62 111.85 1yad n SER 181 Ca 0.01 -1.10 -0.36 0.00 1.01 0.00 0.00 58.87 58.43 1yad n SER 181 Cb 0.25 0.56 -0.01 0.00 -1.01 0.00 0.00 64.21 63.99 1yad n SER 181 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1yad s SER 182 N -2.71 6.17 0.41 6.43 0.15 -0.99 -4.92 113.70 118.23 1yad s SER 182 Ca 0.15 2.18 0.18 0.00 0.70 0.00 0.00 55.95 59.17 1yad s SER 182 Cb 0.18 -2.59 0.87 0.00 -1.71 0.00 0.00 66.02 62.77 1yad s SER 182 CO 0.67 -0.91 1.85 0.00 1.20 0.00 0.00 173.24 176.06 1yad h ALA 183 N 1.84 1.23 -2.64 5.45 0.00 -1.93 -3.31 119.26 119.92 1yad h ALA 183 Ca -0.49 -0.29 -0.60 0.00 0.00 0.00 0.00 54.91 53.53 1yad h ALA 183 Cb 1.24 -0.05 -0.41 0.00 0.00 0.00 0.00 17.79 18.58 1yad h ALA 183 CO 0.60 0.40 -0.74 0.39 0.00 0.00 0.00 179.25 179.89 1yad n GLU 184 N -3.81 1.37 -0.30 0.00 4.71 -1.26 -4.99 120.64 116.36 1yad n GLU 184 Ca -0.01 -4.02 0.14 0.00 -0.01 0.00 0.00 57.16 53.25 1yad n GLU 184 Cb 0.40 -2.01 0.30 0.00 -1.01 0.00 0.00 31.44 29.13 1yad n GLU 184 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1yad h PRO 185 N 5.14 0.24 -0.50 3.49 0.11 -1.75 0.01 132.00 138.74 1yad h PRO 185 Ca 0.18 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.24 1yad h PRO 185 Cb 0.79 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 1yad h PRO 185 CO 0.61 0.16 0.17 1.25 -0.21 0.00 0.00 178.00 179.98 1yad h LEU 186 N 0.25 0.71 -0.91 2.35 5.85 -1.90 0.33 115.31 121.99 1yad h LEU 186 Ca 0.56 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.98 1yad h LEU 186 Cb 1.13 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1yad h LEU 186 CO -0.63 0.72 -0.33 -0.08 -0.34 0.00 0.00 178.44 177.78 1yad h GLU 187 N 0.67 0.39 -0.01 1.25 4.22 -1.61 -1.80 114.58 117.68 1yad h GLU 187 Ca 0.16 -0.17 -0.00 0.00 0.08 0.00 0.00 59.36 59.43 1yad h GLU 187 Cb 0.25 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1yad h GLU 187 CO -0.01 0.68 0.00 0.00 -2.18 0.00 0.00 179.01 177.51 1yad h ALA 188 N 1.31 0.02 -0.51 2.92 0.00 -0.67 -2.00 119.26 120.33 1yad h ALA 188 Ca 0.04 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1yad h ALA 188 Cb 0.75 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1yad h ALA 188 CO 0.06 -0.34 0.34 0.00 0.00 0.00 0.00 179.25 179.31 1yad h ALA 189 N 0.73 1.78 -0.11 0.00 0.00 -0.81 -2.26 119.26 118.59 1yad h ALA 189 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1yad h ALA 189 Cb 0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1yad h ALA 189 CO 0.00 0.16 -0.51 0.00 0.00 0.00 0.00 179.25 178.90 1yad h ARG 190 N 0.56 0.30 -0.88 0.00 3.08 -1.03 -1.85 114.38 114.56 1yad h ARG 190 Ca 0.21 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1yad h ARG 190 Cb 0.13 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 1yad h ARG 190 CO -0.05 0.74 0.49 0.00 -1.07 0.00 0.00 179.97 180.07 1yad h ARG 191 N 0.23 1.22 0.26 0.04 3.08 -0.75 0.19 114.38 118.66 1yad h ARG 191 Ca 0.01 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1yad h ARG 191 Cb 0.98 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1yad h ARG 191 CO 0.08 0.89 -0.12 1.88 -1.07 0.00 0.00 179.97 181.62 1yad h TYR 192 N 1.23 -0.32 -0.96 3.04 0.05 -1.41 -1.72 116.97 116.87 1yad h TYR 192 Ca 0.31 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 59.11 1yad h TYR 192 Cb 0.02 0.11 -0.05 0.00 1.01 0.00 0.00 36.73 37.81 1yad h TYR 192 CO 0.01 0.01 0.63 0.66 -1.05 0.00 0.00 178.16 178.43 1yad h SER 193 N -0.70 1.07 -0.47 3.88 4.64 -1.15 -0.92 113.55 119.90 1yad h SER 193 Ca -0.04 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1yad h SER 193 Cb 0.48 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 1yad h SER 193 CO 0.06 0.75 0.26 -0.09 -0.87 0.00 0.00 176.83 176.94 1yad h ARG 194 N 1.25 0.65 -0.62 4.77 2.43 -0.62 -0.34 114.38 121.91 1yad h ARG 194 Ca 0.37 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.42 1yad h ARG 194 Cb -0.06 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 1yad h ARG 194 CO -0.11 0.51 0.21 -0.22 -1.51 0.00 0.00 179.97 178.85 1yad h LYS 195 N 0.62 0.93 -0.14 0.20 1.63 -0.56 -0.70 116.57 118.55 1yad h LYS 195 Ca 0.17 -0.17 -0.07 0.00 -0.85 0.00 0.00 60.65 59.72 1yad h LYS 195 Cb 0.05 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.52 1yad h LYS 195 CO -0.03 0.78 -0.21 -0.07 -3.45 0.00 0.00 179.45 176.48 1yad h LEU 196 N 0.90 0.41 -0.92 5.20 3.38 -0.86 -2.41 115.31 121.01 1yad h LEU 196 Ca 0.21 -0.53 0.01 0.00 0.09 0.00 0.00 57.88 57.66 1yad h LEU 196 Cb 0.23 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1yad h LEU 196 CO -0.01 0.86 0.61 0.11 0.09 0.00 0.00 178.44 180.10 1yad h LYS 197 N -0.02 1.20 0.02 1.13 1.57 -0.91 -2.14 116.57 117.43 1yad h LYS 197 Ca 0.01 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1yad h LYS 197 Cb 0.77 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1yad h LYS 197 CO 0.05 0.80 -0.18 1.49 -0.57 0.00 0.00 179.45 181.03 1yad h GLU 198 N 1.24 -0.30 0.00 3.15 4.81 -1.07 -1.28 114.58 121.13 1yad h GLU 198 Ca 0.34 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1yad h GLU 198 Cb -0.14 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1yad h GLU 198 CO -0.08 -0.20 0.00 -1.33 -0.73 0.00 0.00 179.01 176.67 1yad n MET 199 N -5.31 0.13 0.00 1.92 2.81 -0.92 -5.11 117.12 110.65 1yad n MET 199 Ca -0.05 0.20 0.16 0.00 -1.81 0.00 0.00 57.70 56.19 1yad n MET 199 Cb 0.23 -1.50 0.93 0.00 -0.71 0.00 0.00 33.22 32.17 1yad n MET 199 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35