#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vyd s ASP 2 N 0.00 5.64 0.08 1.61 3.68 -1.26 -4.89 116.67 121.52 1vyd s ASP 2 Ca 0.00 -0.50 -0.18 0.00 2.13 0.00 0.00 52.55 54.00 1vyd s ASP 2 Cb 0.00 -2.03 -0.09 0.00 -1.45 0.00 0.00 42.92 39.35 1vyd s ASP 2 CO 0.00 -0.20 1.46 0.00 0.13 0.00 0.00 175.17 176.56 1vyd h ALA 3 N 8.37 0.34 -0.74 3.66 0.00 -1.84 -1.82 119.26 127.24 1vyd h ALA 3 Ca -0.32 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 1vyd h ALA 3 Cb 1.15 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1vyd h ALA 3 CO 0.62 0.17 0.30 0.00 0.00 0.00 0.00 179.25 180.34 1vyd h ALA 4 N 0.74 1.15 -0.16 0.00 0.00 -1.94 -0.96 119.26 118.09 1vyd h ALA 4 Ca 0.06 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 1vyd h ALA 4 Cb 0.57 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1vyd h ALA 4 CO 0.03 0.62 -0.65 -0.22 0.00 0.00 0.00 179.25 179.03 1vyd h LYS 5 N 1.06 0.60 -0.17 0.00 3.64 -1.89 -3.05 116.57 116.77 1vyd h LYS 5 Ca 0.25 -0.44 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 1vyd h LYS 5 Cb 0.18 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1vyd h LYS 5 CO -0.02 1.06 0.00 0.78 -2.27 0.00 0.00 179.45 179.00 1vyd h GLY 6 N 0.97 0.26 0.99 5.01 0.00 -1.18 -0.54 103.07 108.58 1vyd h GLY 6 Ca -0.02 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.20 1vyd h GLY 6 CO 0.12 0.12 0.57 -2.09 0.00 0.00 0.00 176.54 175.26 1vyd h GLU 7 N 0.24 1.12 -0.00 4.80 4.81 -1.06 -1.04 114.58 123.44 1vyd h GLU 7 Ca 0.06 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.06 1vyd h GLU 7 Cb 0.16 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1vyd h GLU 7 CO 0.00 0.74 -0.74 0.87 -0.73 0.00 0.00 179.01 179.15 1vyd h LYS 8 N 1.15 0.02 0.00 1.92 1.57 -1.23 -3.27 116.57 116.74 1vyd h LYS 8 Ca 0.32 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 1vyd h LYS 8 Cb -0.12 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1vyd h LYS 8 CO -0.07 0.75 -0.11 0.93 -0.57 0.00 0.00 179.45 180.37 1vyd h GLU 9 N 0.02 0.00 0.00 3.15 4.39 -0.38 -3.10 114.58 118.66 1vyd h GLU 9 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1vyd h GLU 9 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1vyd h GLU 9 CO 0.10 0.11 0.00 0.34 -1.16 0.00 0.00 179.01 178.40 1vyd n PHE 10 N -3.19 0.00 0.26 4.33 7.35 -0.47 -2.13 117.46 123.61 1vyd n PHE 10 Ca 0.02 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.87 1vyd n PHE 10 Cb 0.45 -0.49 0.89 0.00 0.35 0.00 0.00 39.48 40.67 1vyd n PHE 10 CO 0.00 0.00 0.00 -2.95 -0.76 0.00 0.00 176.76 173.05 1vyd h ASN 11 N 0.00 0.00 0.38 -2.13 7.08 -1.75 0.67 115.58 119.84 1vyd h ASN 11 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1vyd h ASN 11 Cb 0.06 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.30 1vyd h ASN 11 CO 0.00 0.00 -0.18 0.29 -2.08 0.00 0.00 177.43 175.46 1vyd n LYS 12 N -2.68 0.61 -0.05 4.14 4.01 -0.91 -4.20 118.16 119.09 1vyd n LYS 12 Ca -0.02 -0.26 -0.03 0.00 -0.51 0.00 0.00 58.31 57.49 1vyd n LYS 12 Cb 0.07 -1.49 -0.12 0.00 -0.51 0.00 0.00 35.03 32.98 1vyd n LYS 12 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1vyd n LYS 14 N -2.40 0.12 0.26 0.00 2.85 -0.64 -1.18 118.16 117.17 1vyd n LYS 14 Ca -0.18 0.42 0.14 0.00 -1.05 0.00 0.00 58.31 57.64 1vyd n LYS 14 Cb 0.81 -1.76 0.68 0.00 -0.65 0.00 0.00 35.03 34.11 1vyd n LYS 14 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1vyd h THR 15 N 0.00 0.32 0.00 0.58 2.02 -1.84 -1.77 112.91 112.22 1vyd h THR 15 Ca 0.00 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1vyd h THR 15 Cb 0.26 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1vyd h THR 15 CO 0.00 0.10 -0.71 0.00 0.37 0.00 0.00 175.52 175.28 1vyd s HIS 17 N -1.48 2.77 0.45 0.00 3.76 -0.33 -0.24 115.29 120.21 1vyd s HIS 17 Ca 0.00 -0.16 0.05 0.00 -0.15 0.00 0.00 55.06 54.80 1vyd s HIS 17 Cb 0.00 -1.37 -0.05 0.00 1.11 0.00 0.00 32.58 32.27 1vyd s HIS 17 CO 0.00 0.50 0.04 -1.12 -0.85 0.00 0.00 174.74 173.31 1vyd s SER 18 N -2.76 4.05 -0.36 1.40 0.01 -1.16 -3.70 113.70 111.18 1vyd s SER 18 Ca 0.26 -1.42 -0.00 0.00 1.31 0.00 0.00 55.95 56.09 1vyd s SER 18 Cb -0.10 -0.09 0.12 0.00 0.21 0.00 0.00 66.02 66.17 1vyd s SER 18 CO 0.17 -0.61 0.17 -0.63 0.41 0.00 0.00 173.24 172.74 1vyd s ILE 19 N -2.75 0.79 -0.18 1.44 1.01 -0.48 -1.47 121.20 119.56 1vyd s ILE 19 Ca 0.26 -1.76 -0.01 0.00 0.00 0.00 0.00 60.65 59.14 1vyd s ILE 19 Cb 0.06 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.95 1vyd s ILE 19 CO 0.14 -0.82 -0.13 -0.63 0.00 0.00 0.00 174.94 173.50 1vyd s ILE 20 N 1.16 2.71 0.80 2.92 1.01 -1.26 -0.27 121.20 128.27 1vyd s ILE 20 Ca 0.14 -0.73 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 1vyd s ILE 20 Cb -0.21 -2.18 0.07 0.00 0.01 0.00 0.00 42.46 40.16 1vyd s ILE 20 CO -0.13 0.49 1.09 0.00 0.00 0.00 0.00 174.94 176.39 1vyd s ALA 21 N 1.17 2.10 0.52 9.38 0.00 -0.28 -4.67 121.76 129.98 1vyd s ALA 21 Ca 0.01 0.12 0.19 0.00 0.00 0.00 0.00 51.96 52.28 1vyd s ALA 21 Cb -0.14 -3.23 1.34 0.00 0.00 0.00 0.00 23.12 21.09 1vyd s ALA 21 CO -0.05 -1.87 2.14 -1.35 0.00 0.00 0.00 175.76 174.63 1vyd h PRO 22 N -1.20 0.00 -0.02 0.00 0.11 -1.98 0.24 132.00 129.14 1vyd h PRO 22 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1vyd h PRO 22 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1vyd h PRO 22 CO 0.53 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 1vyd n ASP 23 N -4.34 0.20 0.00 -2.05 5.68 -1.26 -4.89 116.55 109.89 1vyd n ASP 23 Ca -0.03 -1.49 0.00 0.00 -0.50 0.00 0.00 54.79 52.77 1vyd n ASP 23 Cb 0.12 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 1vyd n ASP 23 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vyd n GLY 24 N 0.81 0.87 3.70 6.12 0.00 0.85 -5.04 105.19 112.50 1vyd n GLY 24 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1vyd n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vyd s THR 25 N -2.23 2.41 -0.83 2.61 2.01 -1.25 -4.73 115.64 113.63 1vyd s THR 25 Ca 0.00 0.02 -0.21 0.00 0.31 0.00 0.00 61.69 61.81 1vyd s THR 25 Cb 0.00 -3.01 0.09 0.00 0.01 0.00 0.00 72.50 69.59 1vyd s THR 25 CO 0.00 0.00 1.10 -1.61 -0.69 0.00 0.00 174.62 173.42 1vyd s GLU 26 N 2.44 3.39 0.11 4.92 2.02 -1.26 -1.12 118.70 129.19 1vyd s GLU 26 Ca 0.80 -1.27 -0.13 0.00 0.02 0.00 0.00 54.97 54.39 1vyd s GLU 26 Cb -0.47 -4.67 -0.12 0.00 0.10 0.00 0.00 34.13 28.97 1vyd s GLU 26 CO 0.36 -1.85 1.36 0.82 0.02 0.00 0.00 175.26 175.96 1vyd h ILE 27 N 6.01 1.28 -3.26 -1.63 2.04 -0.98 -3.41 117.51 117.57 1vyd h ILE 27 Ca -0.03 -1.78 -0.51 0.00 1.00 0.00 0.00 64.86 63.54 1vyd h ILE 27 Cb 1.04 1.78 -0.36 0.00 -0.74 0.00 0.00 36.82 38.54 1vyd h ILE 27 CO 1.18 0.57 -0.80 -0.69 0.00 0.00 0.00 178.15 178.41 1vyd s VAL 28 N -3.99 0.95 -0.51 1.67 1.01 -0.81 -4.96 120.40 113.76 1vyd s VAL 28 Ca -0.11 -0.27 -0.23 0.00 0.00 0.00 0.00 61.98 61.36 1vyd s VAL 28 Cb 0.09 -0.96 0.04 0.00 0.00 0.00 0.00 36.38 35.55 1vyd s VAL 28 CO 0.88 0.34 0.85 -0.75 0.00 0.00 0.00 175.10 176.43 1vyd s LYS 29 N 1.46 3.34 0.00 2.72 2.20 -1.26 -1.38 119.74 126.82 1vyd s LYS 29 Ca -0.00 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 1vyd s LYS 29 Cb -0.13 -4.01 0.00 0.00 -1.51 0.00 0.00 37.83 32.17 1vyd s LYS 29 CO -0.05 -1.32 0.00 0.41 -0.36 0.00 0.00 175.35 174.03 1vyd n GLY 30 N 5.07 5.24 3.46 5.54 0.00 -1.26 -4.97 105.19 118.27 1vyd n GLY 30 Ca 0.01 -1.53 -0.19 0.00 0.00 0.00 0.00 46.02 44.31 1vyd n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vyd n ALA 31 N -3.00 0.58 -1.71 4.61 0.00 -0.66 -4.75 120.51 115.58 1vyd n ALA 31 Ca 0.00 -1.80 0.06 0.00 0.00 0.00 0.00 53.44 51.70 1vyd n ALA 31 Cb 0.00 0.38 0.15 0.00 0.00 0.00 0.00 19.45 19.99 1vyd n ALA 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1vyd n LYS 32 N -2.42 1.16 0.00 0.00 5.02 -1.23 -2.97 118.16 117.72 1vyd n LYS 32 Ca 0.15 -2.84 0.11 0.00 -2.02 0.00 0.00 58.31 53.71 1vyd n LYS 32 Cb 0.53 -1.24 -0.03 0.00 -0.02 0.00 0.00 35.03 34.27 1vyd n LYS 32 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1vyd n THR 33 N -0.81 0.00 -4.28 -0.18 -2.24 -0.83 -4.77 114.28 101.17 1vyd n THR 33 Ca 0.15 -0.18 -0.24 0.00 -2.27 0.00 0.00 64.05 61.51 1vyd n THR 33 Cb 0.77 1.16 -0.08 0.00 -2.10 0.00 0.00 70.33 70.09 1vyd n THR 33 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1vyd s GLY 34 N -2.64 2.04 0.70 3.38 0.00 0.66 -5.02 107.32 106.44 1vyd s GLY 34 Ca 0.15 -1.93 -0.11 0.00 0.00 0.00 0.00 44.72 42.84 1vyd s GLY 34 CO 0.66 -1.87 1.06 2.56 0.00 0.00 0.00 173.10 175.52 1vyd s PRO 35 N -3.75 2.85 0.22 2.90 0.04 -1.26 -4.59 135.00 131.42 1vyd s PRO 35 Ca 0.35 1.00 -0.31 0.00 0.04 0.00 0.00 61.00 62.09 1vyd s PRO 35 Cb -0.01 -1.98 -0.15 0.00 0.04 0.00 0.00 34.50 32.41 1vyd s PRO 35 CO 0.20 -1.17 1.17 -1.71 0.04 0.00 0.00 177.00 175.53 1vyd n ASN 36 N -3.14 1.66 -0.68 6.66 2.85 -1.26 -4.48 115.26 116.87 1vyd n ASN 36 Ca 0.08 1.15 0.07 0.00 -0.11 0.00 0.00 54.58 55.77 1vyd n ASN 36 Cb 0.53 -1.29 0.13 0.00 1.24 0.00 0.00 39.78 40.40 1vyd n ASN 36 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1vyd n LEU 37 N 1.78 2.73 -4.71 1.20 4.77 -0.54 -4.85 117.00 117.37 1vyd n LEU 37 Ca 0.12 -1.62 -0.42 0.00 -0.03 0.00 0.00 56.01 54.06 1vyd n LEU 37 Cb 0.28 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1vyd n LEU 37 CO 0.61 0.63 1.35 -0.47 -1.33 0.00 0.00 177.39 178.18 1vyd s TYR 38 N -1.04 2.81 -1.24 -1.77 6.14 -1.26 -1.92 117.35 119.07 1vyd s TYR 38 Ca 0.23 0.36 0.00 0.00 0.64 0.00 0.00 57.07 58.30 1vyd s TYR 38 Cb 0.13 -4.08 0.00 0.00 0.42 0.00 0.00 41.96 38.43 1vyd s TYR 38 CO 0.18 -4.15 0.00 0.41 0.64 0.00 0.00 175.55 172.63 1vyd n GLY 39 N 3.96 1.28 0.21 8.97 0.00 -1.26 -4.92 105.19 113.43 1vyd n GLY 39 Ca 0.16 -0.47 0.10 0.00 0.00 0.00 0.00 46.02 45.81 1vyd n GLY 39 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1vyd h VAL 40 N 0.00 0.28 -2.77 1.61 3.04 -1.71 -3.36 116.25 113.34 1vyd h VAL 40 Ca -0.24 -1.26 -0.57 0.00 -1.01 0.00 0.00 66.70 63.62 1vyd h VAL 40 Cb 0.77 2.02 -0.03 0.00 -2.01 0.00 0.00 31.29 32.04 1vyd h VAL 40 CO 0.35 0.15 1.16 -0.69 -1.01 0.00 0.00 177.57 177.53 1vyd s VAL 41 N -3.26 3.64 0.00 1.51 1.01 -1.26 -2.45 120.40 119.59 1vyd s VAL 41 Ca 0.05 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.73 1vyd s VAL 41 Cb 0.07 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1vyd s VAL 41 CO 0.67 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1vyd n GLY 42 N 4.89 0.50 3.88 4.51 0.00 0.20 -5.00 105.19 114.17 1vyd n GLY 42 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1vyd n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1vyd s ARG 43 N -0.90 3.58 0.26 1.61 3.52 -1.03 -4.74 118.95 121.26 1vyd s ARG 43 Ca 0.00 -0.07 -0.30 0.00 -0.13 0.00 0.00 55.73 55.23 1vyd s ARG 43 Cb 0.00 -3.08 -0.11 0.00 -1.56 0.00 0.00 34.95 30.20 1vyd s ARG 43 CO 0.00 0.65 1.61 0.99 -0.81 0.00 0.00 175.30 177.73 1vyd s THR 44 N -1.30 2.14 0.28 4.11 2.01 -1.26 -1.90 115.64 119.72 1vyd s THR 44 Ca 0.28 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 1vyd s THR 44 Cb -0.13 -3.07 -0.12 0.00 0.01 0.00 0.00 72.50 69.18 1vyd s THR 44 CO 0.16 0.02 1.48 0.00 -0.69 0.00 0.00 174.62 175.59 1vyd n ALA 45 N 2.67 1.78 -3.34 7.40 0.00 -0.52 -3.48 120.51 125.03 1vyd n ALA 45 Ca 0.10 0.39 -0.17 0.00 0.00 0.00 0.00 53.44 53.76 1vyd n ALA 45 Cb 0.37 -2.36 0.08 0.00 0.00 0.00 0.00 19.45 17.54 1vyd n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vyd n GLY 46 N 1.96 -0.31 0.00 0.00 0.00 -1.26 -3.61 105.19 101.97 1vyd n GLY 46 Ca 0.09 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1vyd n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vyd n THR 47 N -4.06 0.00 -1.68 2.61 -2.24 -1.23 -4.70 114.28 102.97 1vyd n THR 47 Ca -0.19 -0.12 -0.51 0.00 -2.27 0.00 0.00 64.05 60.95 1vyd n THR 47 Cb 0.63 1.49 -0.06 0.00 -2.10 0.00 0.00 70.33 70.30 1vyd n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vyd n TYR 48 N -0.08 2.19 -1.66 4.78 9.36 -1.26 -4.89 117.16 125.59 1vyd n TYR 48 Ca 0.00 0.23 -0.40 0.00 3.32 0.00 0.00 57.90 61.05 1vyd n TYR 48 Cb 0.12 -2.57 0.02 0.00 -0.63 0.00 0.00 39.34 36.29 1vyd n TYR 48 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1vyd n PRO 49 N 5.68 1.52 -3.07 2.98 -0.04 -1.26 -3.83 135.00 136.97 1vyd n PRO 49 Ca 0.23 0.55 -0.23 0.00 -0.04 0.00 0.00 63.50 64.02 1vyd n PRO 49 Cb 0.23 -2.26 0.04 0.00 -0.04 0.00 0.00 33.50 31.47 1vyd n PRO 49 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1vyd n GLU 50 N -0.26 -4.99 -4.51 0.54 1.02 -1.26 -5.00 120.64 106.17 1vyd n GLU 50 Ca 0.09 0.88 -0.24 0.00 -0.02 0.00 0.00 57.16 57.87 1vyd n GLU 50 Cb 0.42 -5.75 -0.17 0.00 -0.02 0.00 0.00 31.44 25.92 1vyd n GLU 50 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1vyd s PHE 51 N -3.18 1.39 -0.62 -0.32 5.36 -1.25 -5.10 117.98 114.27 1vyd s PHE 51 Ca 0.33 -0.52 -0.19 0.00 -0.96 0.00 0.00 56.93 55.59 1vyd s PHE 51 Cb -0.15 -1.04 0.11 0.00 -0.34 0.00 0.00 43.02 41.60 1vyd s PHE 51 CO 0.40 -0.28 0.73 0.15 -1.46 0.00 0.00 175.22 174.76 1vyd s LYS 52 N 0.73 3.09 0.55 10.12 1.02 -1.26 -4.96 119.74 129.03 1vyd s LYS 52 Ca -0.13 -1.38 -0.11 0.00 0.02 0.00 0.00 55.97 54.37 1vyd s LYS 52 Cb -0.16 -4.30 -0.05 0.00 -0.52 0.00 0.00 37.83 32.81 1vyd s LYS 52 CO 0.03 -1.55 0.95 0.71 -0.92 0.00 0.00 175.35 174.57 1vyd s TYR 53 N 2.61 3.57 0.71 3.18 1.51 -1.26 -5.07 117.35 122.60 1vyd s TYR 53 Ca 0.13 1.20 -0.13 0.00 -1.01 0.00 0.00 57.07 57.25 1vyd s TYR 53 Cb -0.23 -2.62 0.03 0.00 -0.11 0.00 0.00 41.96 39.03 1vyd s TYR 53 CO 0.05 -0.50 1.11 0.15 -1.11 0.00 0.00 175.55 175.26 1vyd s LYS 54 N -4.78 2.50 0.35 -0.62 1.02 -1.26 -4.95 119.74 111.99 1vyd s LYS 54 Ca 0.54 1.36 0.05 0.00 0.02 0.00 0.00 55.97 57.94 1vyd s LYS 54 Cb -0.11 -1.91 0.64 0.00 -0.52 0.00 0.00 37.83 35.93 1vyd s LYS 54 CO 0.46 -1.48 1.90 0.38 -0.92 0.00 0.00 175.35 175.68 1vyd h ASP 55 N -0.44 0.47 -0.44 2.83 2.03 -1.98 -3.18 116.42 115.70 1vyd h ASP 55 Ca -0.46 -0.08 -0.02 0.00 -0.73 0.00 0.00 57.03 55.74 1vyd h ASP 55 Cb 1.25 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 39.60 1vyd h ASP 55 CO 0.52 0.53 0.19 0.28 -1.03 0.00 0.00 179.24 179.73 1vyd h SER 56 N 0.49 0.59 -0.08 4.15 0.02 -1.94 -1.87 113.55 114.91 1vyd h SER 56 Ca 0.11 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 1vyd h SER 56 Cb 0.29 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1vyd h SER 56 CO 0.01 0.58 -0.14 -0.29 -1.14 0.00 0.00 176.83 175.85 1vyd h ILE 57 N 0.56 1.22 -0.51 3.27 2.10 -1.81 -0.49 117.51 121.85 1vyd h ILE 57 Ca 0.15 -0.98 -0.09 0.00 1.08 0.00 0.00 64.86 65.02 1vyd h ILE 57 Cb 0.16 1.19 -0.02 0.00 -1.09 0.00 0.00 36.82 37.06 1vyd h ILE 57 CO -0.01 0.31 -0.02 0.58 -1.08 0.00 0.00 178.15 177.93 1vyd h VAL 58 N 0.38 1.27 -0.35 2.19 2.07 -1.44 -1.93 116.25 118.44 1vyd h VAL 58 Ca 0.07 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 1vyd h VAL 58 Cb 0.47 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1vyd h VAL 58 CO 0.03 0.40 0.07 0.00 0.02 0.00 0.00 177.57 178.08 1vyd h ALA 59 N 0.93 1.46 -0.60 1.67 0.00 -1.13 0.29 119.26 121.89 1vyd h ALA 59 Ca 0.14 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1vyd h ALA 59 Cb 0.55 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1vyd h ALA 59 CO 0.03 0.39 0.19 1.25 0.00 0.00 0.00 179.25 181.12 1vyd h LEU 60 N 0.51 0.87 -0.34 0.00 5.85 -0.87 -1.72 115.31 119.60 1vyd h LEU 60 Ca 0.12 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 1vyd h LEU 60 Cb 0.23 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1vyd h LEU 60 CO -0.00 0.84 -0.42 1.23 -0.34 0.00 0.00 178.44 179.75 1vyd h GLY 61 N 0.85 0.00 2.00 3.75 0.00 -0.39 -2.93 103.07 106.36 1vyd h GLY 61 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 1vyd h GLY 61 CO -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 176.54 176.42 1vyd h ALA 62 N 1.58 1.13 -0.21 3.60 0.00 0.15 -1.84 119.26 123.68 1vyd h ALA 62 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1vyd h ALA 62 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1vyd h ALA 62 CO 0.05 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.31 1vyd n SER 63 N -3.41 1.22 0.00 0.00 3.41 -0.71 -4.90 113.62 109.23 1vyd n SER 63 Ca -0.01 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 1vyd n SER 63 Cb 0.28 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1vyd n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vyd n GLY 64 N 0.79 2.89 3.70 5.00 0.00 -0.69 -5.06 105.19 111.82 1vyd n GLY 64 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1vyd n GLY 64 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1vyd s PHE 65 N -2.54 2.52 -0.03 1.61 5.36 -1.23 -4.97 117.98 118.70 1vyd s PHE 65 Ca 0.00 0.33 0.07 0.00 -0.96 0.00 0.00 56.93 56.37 1vyd s PHE 65 Cb 0.00 -4.00 -0.02 0.00 -0.34 0.00 0.00 43.02 38.67 1vyd s PHE 65 CO 0.00 -3.95 -0.25 0.00 -1.46 0.00 0.00 175.22 169.56 1vyd s ALA 66 N 2.31 2.12 0.55 11.12 0.00 -1.26 -1.44 121.76 135.15 1vyd s ALA 66 Ca 0.74 -1.07 -0.20 0.00 0.00 0.00 0.00 51.96 51.43 1vyd s ALA 66 Cb -0.42 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 1vyd s ALA 66 CO 0.33 0.47 1.22 -1.58 0.00 0.00 0.00 175.76 176.20 1vyd s TRP 67 N -0.41 2.49 0.28 0.00 0.52 -0.80 -4.84 118.94 116.17 1vyd s TRP 67 Ca 0.04 1.49 0.05 0.00 0.02 0.00 0.00 56.10 57.70 1vyd s TRP 67 Cb -0.11 -3.51 -0.06 0.00 -1.15 0.00 0.00 33.47 28.64 1vyd s TRP 67 CO 0.01 -2.17 -0.00 0.95 0.02 0.00 0.00 176.95 175.76 1vyd s THR 68 N -1.53 1.28 0.21 2.01 -4.23 -1.26 0.60 115.64 112.72 1vyd s THR 68 Ca 0.73 -2.05 -0.10 0.00 -1.18 0.00 0.00 61.69 59.09 1vyd s THR 68 Cb -0.32 -2.53 0.14 0.00 1.34 0.00 0.00 72.50 71.14 1vyd s THR 68 CO 0.36 -0.21 1.85 -0.33 -0.54 0.00 0.00 174.62 175.75 1vyd h GLU 69 N 2.29 0.83 -0.33 3.99 5.08 -1.97 -0.05 114.58 124.42 1vyd h GLU 69 Ca -0.40 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 57.87 1vyd h GLU 69 Cb 1.23 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1vyd h GLU 69 CO 0.67 0.55 0.04 1.49 -1.00 0.00 0.00 179.01 180.76 1vyd h GLU 70 N 0.86 0.56 -0.29 2.33 4.81 -1.96 0.11 114.58 121.00 1vyd h GLU 70 Ca 0.28 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 1vyd h GLU 70 Cb 0.02 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1vyd h GLU 70 CO -0.11 0.65 -0.15 -0.44 -0.73 0.00 0.00 179.01 178.23 1vyd h ASP 71 N 0.38 0.49 -0.12 1.04 3.45 -1.90 -2.53 116.42 117.22 1vyd h ASP 71 Ca 0.10 -0.14 -0.01 0.00 0.43 0.00 0.00 57.03 57.42 1vyd h ASP 71 Cb 0.37 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.00 1vyd h ASP 71 CO 0.01 0.67 0.05 0.40 -1.57 0.00 0.00 179.24 178.79 1vyd h ILE 72 N 0.46 1.15 -0.97 0.35 2.04 -0.58 -0.89 117.51 119.08 1vyd h ILE 72 Ca 0.08 -0.46 0.20 0.00 1.00 0.00 0.00 64.86 65.68 1vyd h ILE 72 Cb 0.53 1.23 -0.11 0.00 -0.74 0.00 0.00 36.82 37.73 1vyd h ILE 72 CO 0.03 0.14 0.56 0.00 0.00 0.00 0.00 178.15 178.88 1vyd h ALA 73 N 0.88 1.60 0.19 1.87 0.00 -0.95 -1.74 119.26 121.12 1vyd h ALA 73 Ca 0.04 0.10 -0.31 0.00 0.00 0.00 0.00 54.91 54.73 1vyd h ALA 73 Cb 0.18 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.96 1vyd h ALA 73 CO -0.00 -0.12 -1.42 1.15 0.00 0.00 0.00 179.25 178.85 1vyd h THR 74 N 0.67 1.32 -0.74 0.00 2.02 -1.32 -3.32 112.91 111.55 1vyd h THR 74 Ca 0.57 -2.83 -0.03 0.00 0.77 0.00 0.00 66.41 64.88 1vyd h THR 74 Cb 0.93 2.96 -0.03 0.00 -1.74 0.00 0.00 68.15 70.27 1vyd h THR 74 CO -0.41 0.85 0.33 0.22 0.37 0.00 0.00 175.52 176.87 1vyd h TYR 75 N 0.11 1.09 0.00 3.16 3.20 -0.60 -3.11 116.97 120.82 1vyd h TYR 75 Ca -0.22 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.52 1vyd h TYR 75 Cb 2.08 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 40.01 1vyd h TYR 75 CO 0.10 0.82 -0.28 -0.24 -1.64 0.00 0.00 178.16 176.91 1vyd h VAL 76 N 1.05 0.98 -0.13 1.81 3.04 -1.48 0.67 116.25 122.19 1vyd h VAL 76 Ca 0.25 -1.06 -0.13 0.00 -1.01 0.00 0.00 66.70 64.75 1vyd h VAL 76 Cb 0.16 1.61 -0.01 0.00 -2.01 0.00 0.00 31.29 31.04 1vyd h VAL 76 CO -0.03 0.28 -0.48 0.11 -1.01 0.00 0.00 177.57 176.44 1vyd h LYS 77 N 0.00 0.33 -0.69 4.17 1.57 -1.63 -0.46 116.57 119.86 1vyd h LYS 77 Ca -0.00 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1vyd h LYS 77 Cb 0.58 0.01 -0.18 0.00 0.08 0.00 0.00 32.23 32.73 1vyd h LYS 77 CO 0.04 0.74 -0.32 0.34 -0.57 0.00 0.00 179.45 179.67 1vyd s ASP 78 N -6.88 -1.05 0.19 0.86 3.68 -0.85 -4.18 116.67 108.44 1vyd s ASP 78 Ca -0.05 -0.69 -0.12 0.00 2.13 0.00 0.00 52.55 53.82 1vyd s ASP 78 Cb 0.13 1.35 0.12 0.00 -1.45 0.00 0.00 42.92 43.06 1vyd s ASP 78 CO 0.80 -0.10 1.84 -0.65 0.13 0.00 0.00 175.17 177.18 1vyd h PRO 79 N 6.00 0.72 -0.24 4.34 0.11 -1.13 -1.60 132.00 140.21 1vyd h PRO 79 Ca 0.02 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.98 1vyd h PRO 79 Cb 1.19 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1vyd h PRO 79 CO 0.02 0.48 -0.29 0.78 -0.21 0.00 0.00 178.00 178.77 1vyd h GLY 80 N 0.74 0.52 1.48 -0.55 0.00 -1.88 -1.93 103.07 101.46 1vyd h GLY 80 Ca 0.23 -0.45 -0.17 0.00 0.00 0.00 0.00 47.33 46.94 1vyd h GLY 80 CO -0.08 0.41 -0.62 0.00 0.00 0.00 0.00 176.54 176.24 1vyd h ALA 81 N 1.27 0.63 -0.14 3.60 0.00 -1.83 -1.86 119.26 120.93 1vyd h ALA 81 Ca 0.06 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 54.45 1vyd h ALA 81 Cb 0.73 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1vyd h ALA 81 CO 0.06 0.71 -0.06 0.35 0.00 0.00 0.00 179.25 180.31 1vyd h PHE 82 N 0.39 -0.13 -0.25 0.00 3.57 -1.10 -2.21 116.94 117.20 1vyd h PHE 82 Ca -0.01 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1vyd h PHE 82 Cb 1.18 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 1vyd h PHE 82 CO 0.05 -0.09 0.13 -0.07 -2.23 0.00 0.00 178.31 176.10 1vyd h LEU 83 N -0.04 0.32 -0.36 0.59 3.38 -1.06 -1.88 115.31 116.26 1vyd h LEU 83 Ca 0.08 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1vyd h LEU 83 Cb 0.15 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 1vyd h LEU 83 CO -0.17 0.33 -0.05 0.11 0.09 0.00 0.00 178.44 178.75 1vyd h LYS 84 N 0.29 0.04 0.15 1.13 1.57 -1.12 -1.54 116.57 117.10 1vyd h LYS 84 Ca 0.09 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1vyd h LYS 84 Cb 0.08 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1vyd h LYS 84 CO -0.01 0.03 -0.08 1.49 -0.57 0.00 0.00 179.45 180.30 1vyd h GLU 85 N 0.04 -0.22 -0.57 3.15 4.81 -1.28 0.15 114.58 120.66 1vyd h GLU 85 Ca 0.18 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 1vyd h GLU 85 Cb 0.26 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1vyd h GLU 85 CO -0.34 -0.15 0.05 0.87 -0.73 0.00 0.00 179.01 178.72 1vyd h LYS 86 N -0.23 0.94 0.00 1.92 1.79 -1.20 -2.25 116.57 117.54 1vyd h LYS 86 Ca -0.02 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1vyd h LYS 86 Cb 0.18 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1vyd h LYS 86 CO 0.02 0.90 -0.28 -0.07 -1.08 0.00 0.00 179.45 178.94 1vyd h LEU 87 N 0.88 0.00 -1.50 2.94 3.38 -1.30 -3.47 115.31 116.23 1vyd h LEU 87 Ca 0.17 -0.05 -0.29 0.00 0.09 0.00 0.00 57.88 57.80 1vyd h LEU 87 Cb 0.44 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.33 1vyd h LEU 87 CO 0.02 0.03 -0.63 0.47 0.09 0.00 0.00 178.44 178.42 1vyd n ASP 88 N -2.49 -2.93 -3.63 -0.43 9.92 0.34 -4.99 116.55 112.33 1vyd n ASP 88 Ca 0.04 -0.50 -0.18 0.00 -0.53 0.00 0.00 54.79 53.62 1vyd n ASP 88 Cb 0.47 -4.35 -0.15 0.00 -0.64 0.00 0.00 41.12 36.45 1vyd n ASP 88 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1vyd s ASP 89 N -3.92 1.00 0.49 -2.24 3.68 -0.11 -5.02 116.67 110.54 1vyd s ASP 89 Ca 0.12 0.16 0.20 0.00 2.13 0.00 0.00 52.55 55.15 1vyd s ASP 89 Cb -0.05 0.25 1.23 0.00 -1.45 0.00 0.00 42.92 42.89 1vyd s ASP 89 CO 0.61 -0.27 2.06 0.11 0.13 0.00 0.00 175.17 177.81 1vyd h LYS 90 N 8.36 0.00 -0.02 4.34 1.57 -1.95 -1.85 116.57 127.02 1vyd h LYS 90 Ca -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1vyd h LYS 90 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1vyd h LYS 90 CO 0.18 0.13 0.00 1.63 -0.57 0.00 0.00 179.45 180.82 1vyd n LYS 91 N -4.11 1.55 -1.65 3.15 5.02 -1.26 -4.92 118.16 115.93 1vyd n LYS 91 Ca -0.02 -0.80 -0.45 0.00 -2.02 0.00 0.00 58.31 55.01 1vyd n LYS 91 Cb 0.21 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 1vyd n LYS 91 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vyd n ALA 92 N -0.02 0.70 -2.46 7.82 0.00 -0.69 -4.99 120.51 120.87 1vyd n ALA 92 Ca 0.20 0.41 -0.21 0.00 0.00 0.00 0.00 53.44 53.84 1vyd n ALA 92 Cb 0.31 -2.21 -0.11 0.00 0.00 0.00 0.00 19.45 17.44 1vyd n ALA 92 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1vyd s LYS 93 N -0.67 1.21 0.06 0.00 1.02 -1.26 -4.70 119.74 115.40 1vyd s LYS 93 Ca 0.67 -1.37 0.06 0.00 0.02 0.00 0.00 55.97 55.35 1vyd s LYS 93 Cb -0.68 -1.21 -0.03 0.00 -0.52 0.00 0.00 37.83 35.40 1vyd s LYS 93 CO 0.52 0.24 -0.16 -0.08 -0.92 0.00 0.00 175.35 174.95 1vyd s THR 94 N -2.11 1.31 -0.60 2.17 -1.32 -1.26 -4.41 115.64 109.42 1vyd s THR 94 Ca 0.14 -1.21 0.23 0.00 -1.21 0.00 0.00 61.69 59.64 1vyd s THR 94 Cb -0.05 -1.20 -0.04 0.00 -1.51 0.00 0.00 72.50 69.69 1vyd s THR 94 CO 0.06 -0.03 1.14 -0.62 -2.21 0.00 0.00 174.62 172.95 1vyd n GLU 95 N 1.58 0.30 -2.58 7.08 -0.58 -1.26 -4.70 120.64 120.48 1vyd n GLU 95 Ca -0.19 0.04 -0.41 0.00 -0.42 0.00 0.00 57.16 56.17 1vyd n GLU 95 Cb 0.54 -1.64 -0.03 0.00 -0.57 0.00 0.00 31.44 29.74 1vyd n GLU 95 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1vyd s MET 96 N -3.19 3.29 -1.00 3.49 1.75 -1.26 -4.93 119.30 117.45 1vyd s MET 96 Ca 0.04 -0.52 -0.10 0.00 -1.25 0.00 0.00 55.69 53.86 1vyd s MET 96 Cb 0.14 -4.48 0.25 0.00 2.84 0.00 0.00 34.83 33.58 1vyd s MET 96 CO 0.77 -2.13 0.96 0.00 -0.65 0.00 0.00 175.02 173.97 1vyd s ALA 97 N 5.38 4.47 -0.29 4.11 0.00 -1.26 -4.84 121.76 129.32 1vyd s ALA 97 Ca 0.37 -3.67 -0.18 0.00 0.00 0.00 0.00 51.96 48.47 1vyd s ALA 97 Cb -0.07 -3.47 0.15 0.00 0.00 0.00 0.00 23.12 19.74 1vyd s ALA 97 CO 0.08 -2.22 1.05 0.12 0.00 0.00 0.00 175.76 174.80 1vyd s PHE 98 N -0.81 -0.46 -0.09 0.00 5.36 -1.26 -5.15 117.98 115.57 1vyd s PHE 98 Ca 0.26 0.95 0.04 0.00 -0.96 0.00 0.00 56.93 57.22 1vyd s PHE 98 Cb -0.10 0.32 0.00 0.00 -0.34 0.00 0.00 43.02 42.90 1vyd s PHE 98 CO -0.09 -0.23 -0.21 0.15 -1.46 0.00 0.00 175.22 173.39 1vyd s LYS 99 N 1.01 2.63 -0.17 10.12 1.02 -1.26 -4.70 119.74 128.39 1vyd s LYS 99 Ca -0.06 -0.74 -0.19 0.00 0.02 0.00 0.00 55.97 55.00 1vyd s LYS 99 Cb -0.04 -2.03 -0.03 0.00 -0.52 0.00 0.00 37.83 35.21 1vyd s LYS 99 CO -0.13 0.15 0.55 -1.17 -0.92 0.00 0.00 175.35 173.83 1vyd s LEU 100 N 0.41 4.19 0.04 3.17 2.96 -0.18 -4.97 118.68 124.30 1vyd s LEU 100 Ca -0.17 0.79 -0.16 0.00 -0.22 0.00 0.00 54.13 54.37 1vyd s LEU 100 Cb -0.17 -2.78 -0.29 0.00 0.50 0.00 0.00 46.19 43.45 1vyd s LEU 100 CO 0.07 -0.15 1.08 0.00 -1.32 0.00 0.00 176.35 176.03 1vyd h ALA 101 N 7.22 -0.01 -2.57 5.97 0.00 -1.89 -3.37 119.26 124.61 1vyd h ALA 101 Ca -0.36 -0.74 -0.08 0.00 0.00 0.00 0.00 54.91 53.74 1vyd h ALA 101 Cb 1.16 0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.92 1vyd h ALA 101 CO 0.75 0.61 -0.30 0.21 0.00 0.00 0.00 179.25 180.52 1vyd s LYS 102 N -2.95 0.92 0.00 0.00 2.20 -1.26 -4.96 119.74 113.70 1vyd s LYS 102 Ca -0.10 -0.93 0.00 0.00 -0.36 0.00 0.00 55.97 54.58 1vyd s LYS 102 Cb 0.05 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.74 1vyd s LYS 102 CO 0.91 -0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.99 1vyd n GLY 103 N -0.11 1.04 0.15 5.54 0.00 -1.26 -5.02 105.19 105.53 1vyd n GLY 103 Ca -0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 1vyd n GLY 103 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vyd h GLY 104 N 0.00 0.39 1.07 -0.02 0.00 -1.91 -1.22 103.07 101.38 1vyd h GLY 104 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 1vyd h GLY 104 CO 0.00 -0.05 0.02 0.83 0.00 0.00 0.00 176.54 177.33 1vyd h GLU 105 N 0.15 1.06 -0.15 4.80 5.08 -1.90 -1.13 114.58 122.50 1vyd h GLU 105 Ca 0.17 -0.33 -0.12 0.00 -1.00 0.00 0.00 59.36 58.08 1vyd h GLU 105 Cb 0.22 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1vyd h GLU 105 CO -0.26 1.03 -0.37 -0.44 -1.00 0.00 0.00 179.01 177.97 1vyd h ASP 106 N 0.96 0.58 -0.73 1.42 3.45 -1.61 -1.80 116.42 118.69 1vyd h ASP 106 Ca 0.18 -0.58 0.01 0.00 0.43 0.00 0.00 57.03 57.06 1vyd h ASP 106 Cb 0.54 -0.17 -0.04 0.00 -0.56 0.00 0.00 39.33 39.10 1vyd h ASP 106 CO 0.03 1.06 0.48 0.58 -1.57 0.00 0.00 179.24 179.81 1vyd h VAL 107 N 0.14 1.19 -0.53 -1.35 2.07 -1.21 -0.60 116.25 115.96 1vyd h VAL 107 Ca -0.01 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.19 1vyd h VAL 107 Cb 0.98 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1vyd h VAL 107 CO 0.08 0.19 0.29 0.00 0.02 0.00 0.00 177.57 178.15 1vyd h ALA 108 N 1.26 0.69 -0.51 1.67 0.00 -1.15 0.49 119.26 121.71 1vyd h ALA 108 Ca 0.27 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1vyd h ALA 108 Cb -0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1vyd h ALA 108 CO -0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 179.25 179.12 1vyd h ALA 109 N 1.27 0.69 -0.81 0.00 0.00 -1.18 -2.51 119.26 116.73 1vyd h ALA 109 Ca 0.23 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1vyd h ALA 109 Cb 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1vyd h ALA 109 CO -0.14 0.54 0.43 -0.92 0.00 0.00 0.00 179.25 179.16 1vyd h TYR 110 N 0.79 1.12 -0.31 0.00 3.20 -0.60 -2.08 116.97 119.09 1vyd h TYR 110 Ca 0.14 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 1vyd h TYR 110 Cb 0.57 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1vyd h TYR 110 CO 0.04 0.78 -0.11 -0.07 -1.64 0.00 0.00 178.16 177.16 1vyd h LEU 111 N 1.12 0.51 -0.94 2.82 3.38 -0.56 -2.97 115.31 118.68 1vyd h LEU 111 Ca 0.28 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 1vyd h LEU 111 Cb 0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1vyd h LEU 111 CO -0.04 0.66 -0.50 0.00 0.09 0.00 0.00 178.44 178.65 1vyd h ALA 112 N 1.39 1.12 0.00 1.53 0.00 -1.23 -3.15 119.26 118.93 1vyd h ALA 112 Ca 0.09 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1vyd h ALA 112 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1vyd h ALA 112 CO 0.03 0.64 -0.21 -1.13 0.00 0.00 0.00 179.25 178.58 1vyd n SER 113 N -3.94 0.33 0.16 0.00 3.41 -0.80 -3.98 113.62 108.80 1vyd n SER 113 Ca -0.02 0.26 0.04 0.00 -0.26 0.00 0.00 58.87 58.90 1vyd n SER 113 Cb 0.52 -0.26 0.13 0.00 -0.26 0.00 0.00 64.21 64.35 1vyd n SER 113 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1vyd h VAL 114 N 0.00 0.80 0.00 -3.33 3.04 -1.49 -2.60 116.25 112.67 1vyd h VAL 114 Ca 0.00 -1.94 -0.22 0.00 -1.01 0.00 0.00 66.70 63.54 1vyd h VAL 114 Cb 0.56 2.25 -0.03 0.00 -2.01 0.00 0.00 31.29 32.06 1vyd h VAL 114 CO 0.00 0.42 -1.13 -0.37 -1.01 0.00 0.00 177.57 175.48 1vyd h VAL 115 N 0.00 1.36 0.00 1.51 -1.51 -1.76 -3.50 116.25 112.35 1vyd h VAL 115 Ca -0.00 -3.06 0.00 0.00 -1.23 0.00 0.00 66.70 62.41 1vyd h VAL 115 Cb 1.22 2.66 0.00 0.00 -2.13 0.00 0.00 31.29 33.04 1vyd h VAL 115 CO 0.06 0.78 0.00 2.29 -1.23 0.00 0.00 177.57 179.46