#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 4.75 0.42 1.61 -1.08 -1.26 -4.88 116.67 116.23 1vyd s ASP 2 Ca 0.00 -0.71 0.11 0.00 -0.52 0.00 0.00 52.55 51.43 1vyd s ASP 2 Cb 0.00 -1.79 0.96 0.00 -1.46 0.00 0.00 42.92 40.63 1vyd s ASP 2 CO 0.00 -0.14 2.01 0.00 0.52 0.00 0.00 175.17 177.56 1vyd h ALA 3 N 8.14 1.89 -0.22 3.66 0.00 -1.85 0.02 119.26 130.90 1vyd h ALA 3 Ca -0.33 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 1vyd h ALA 3 Cb 1.13 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1vyd h ALA 3 CO 0.59 0.02 -0.26 0.00 0.00 0.00 0.00 179.25 179.60 1vyd h ALA 4 N 1.72 0.33 -0.37 0.00 0.00 -1.95 0.15 119.26 119.14 1vyd h ALA 4 Ca 0.23 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1vyd h ALA 4 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1vyd h ALA 4 CO -0.06 0.32 -0.39 -0.22 0.00 0.00 0.00 179.25 178.90 1vyd h LYS 5 N 0.26 0.89 -0.30 0.00 3.64 -1.79 -2.50 116.57 116.76 1vyd h LYS 5 Ca 0.03 -0.46 -0.06 0.00 -1.27 0.00 0.00 60.65 58.88 1vyd h LYS 5 Cb 0.83 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 1vyd h LYS 5 CO 0.06 1.11 -0.08 0.78 -2.27 0.00 0.00 179.45 179.06 1vyd h GLY 6 N 0.82 0.53 0.93 5.01 0.00 -1.01 0.14 103.07 109.49 1vyd h GLY 6 Ca 0.06 -0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.09 1vyd h GLY 6 CO 0.09 0.32 0.60 -2.09 0.00 0.00 0.00 176.54 175.46 1vyd h GLU 7 N 0.46 1.08 -0.33 4.80 4.81 -0.40 0.27 114.58 125.27 1vyd h GLU 7 Ca 0.09 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1vyd h GLU 7 Cb 0.42 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1vyd h GLU 7 CO 0.02 0.71 -0.11 -0.22 -0.73 0.00 0.00 179.01 178.68 1vyd h LYS 8 N 1.11 0.65 -0.51 1.92 3.64 -0.40 -2.73 116.57 120.25 1vyd h LYS 8 Ca 0.37 -0.26 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1vyd h LYS 8 Cb 0.08 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1vyd h LYS 8 CO -0.12 0.84 0.34 0.93 -2.27 0.00 0.00 179.45 179.17 1vyd h GLU 9 N 0.43 0.58 0.00 1.90 4.39 0.13 -2.76 114.58 119.25 1vyd h GLU 9 Ca 0.08 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1vyd h GLU 9 Cb 0.62 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1vyd h GLU 9 CO 0.04 0.38 0.09 0.35 -1.16 0.00 0.00 179.01 178.71 1vyd h PHE 10 N 0.59 0.00 -0.07 4.33 3.57 -0.18 -1.74 116.94 123.44 1vyd h PHE 10 Ca 0.20 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.73 1vyd h PHE 10 Cb 0.08 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 1vyd h PHE 10 CO -0.00 0.00 0.09 -0.91 -2.23 0.00 0.00 178.31 175.26 1vyd h ASN 11 N 0.00 0.00 0.62 0.41 4.21 -1.61 -0.30 115.58 118.90 1vyd h ASN 11 Ca 0.00 0.00 -0.23 0.00 1.21 0.00 0.00 56.30 57.28 1vyd h ASN 11 Cb 0.18 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.37 1vyd h ASN 11 CO 0.00 0.00 -1.04 0.11 -1.29 0.00 0.00 177.43 175.21 1vyd h LYS 12 N 0.00 0.23 0.00 0.81 1.57 -1.56 -3.26 116.57 114.36 1vyd h LYS 12 Ca 0.03 -0.31 -0.06 0.00 -1.87 0.00 0.00 60.65 58.44 1vyd h LYS 12 Cb 0.21 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1vyd h LYS 12 CO -0.00 1.08 -0.28 0.00 -0.57 0.00 0.00 179.45 179.68 1vyd n LYS 14 N -3.41 0.13 -0.36 0.00 2.85 -0.39 -0.96 118.16 116.02 1vyd n LYS 14 Ca 0.00 0.19 0.01 0.00 -1.05 0.00 0.00 58.31 57.46 1vyd n LYS 14 Cb 0.47 -1.50 0.15 0.00 -0.65 0.00 0.00 35.03 33.51 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 1.12 0.00 0.58 2.02 -1.69 -2.84 112.91 112.10 1vyd h THR 15 Ca 0.00 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1vyd h THR 15 Cb 0.18 -0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1vyd h THR 15 CO 0.00 0.22 -1.17 0.00 0.37 0.00 0.00 175.52 174.94 1vyd s HIS 17 N -2.16 2.85 0.40 0.00 3.76 -0.13 0.03 115.29 120.04 1vyd s HIS 17 Ca -0.01 -0.11 0.07 0.00 -0.15 0.00 0.00 55.06 54.87 1vyd s HIS 17 Cb 0.02 -1.46 -0.06 0.00 1.11 0.00 0.00 32.58 32.19 1vyd s HIS 17 CO 0.13 0.46 0.11 -1.12 -0.85 0.00 0.00 174.74 173.47 1vyd s SER 18 N -2.38 4.24 -0.33 1.40 0.01 -1.18 -3.94 113.70 111.51 1vyd s SER 18 Ca 0.24 -1.15 -0.00 0.00 1.31 0.00 0.00 55.95 56.35 1vyd s SER 18 Cb -0.11 -0.46 0.11 0.00 0.21 0.00 0.00 66.02 65.76 1vyd s SER 18 CO 0.16 -0.48 0.12 -0.63 0.41 0.00 0.00 173.24 172.82 1vyd s ILE 19 N -2.62 0.95 -0.14 1.44 1.01 -0.52 -1.83 121.20 119.48 1vyd s ILE 19 Ca 0.39 -1.59 0.01 0.00 0.00 0.00 0.00 60.65 59.45 1vyd s ILE 19 Cb 0.05 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.83 1vyd s ILE 19 CO 0.21 -0.72 -0.14 -0.63 0.00 0.00 0.00 174.94 173.66 1vyd s ILE 20 N 1.40 1.52 0.67 2.92 1.01 -1.26 -1.10 121.20 126.36 1vyd s ILE 20 Ca 0.11 -0.61 -0.15 0.00 0.00 0.00 0.00 60.65 59.99 1vyd s ILE 20 Cb -0.19 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 40.87 1vyd s ILE 20 CO -0.20 0.45 1.15 0.00 0.00 0.00 0.00 174.94 176.33 1vyd s ALA 21 N 1.37 2.38 0.42 9.38 0.00 -0.11 -4.69 121.76 130.52 1vyd s ALA 21 Ca 0.02 0.69 0.16 0.00 0.00 0.00 0.00 51.96 52.83 1vyd s ALA 21 Cb -0.13 -3.37 1.05 0.00 0.00 0.00 0.00 23.12 20.67 1vyd s ALA 21 CO -0.08 -1.42 1.91 -1.35 0.00 0.00 0.00 175.76 174.82 1vyd h PRO 22 N 0.06 0.41 0.00 0.00 0.11 -1.98 0.72 132.00 131.30 1vyd h PRO 22 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1vyd h PRO 22 Cb 1.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1vyd h PRO 22 CO 0.53 0.27 0.00 -0.40 -0.21 0.00 0.00 178.00 178.19 1vyd n ASP 23 N -4.48 0.00 0.00 -2.05 3.85 -1.26 -4.90 116.55 107.71 1vyd n ASP 23 Ca 0.15 -0.48 0.00 0.00 -0.71 0.00 0.00 54.79 53.75 1vyd n ASP 23 Cb 0.56 -0.15 0.00 0.00 -1.35 0.00 0.00 41.12 40.18 1vyd n ASP 23 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1vyd n GLY 24 N 0.92 1.23 3.71 6.12 0.00 0.24 -5.06 105.19 112.36 1vyd n GLY 24 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.16 2.67 -0.78 2.61 2.01 -1.25 -4.71 115.64 114.03 1vyd s THR 25 Ca 0.00 0.40 -0.18 0.00 0.31 0.00 0.00 61.69 62.23 1vyd s THR 25 Cb 0.00 -3.26 0.14 0.00 0.01 0.00 0.00 72.50 69.39 1vyd s THR 25 CO 0.00 0.02 0.89 -1.61 -0.69 0.00 0.00 174.62 173.23 1vyd s GLU 26 N 1.57 3.39 0.08 4.92 2.02 -1.26 -0.93 118.70 128.49 1vyd s GLU 26 Ca 0.72 -1.74 -0.16 0.00 0.02 0.00 0.00 54.97 53.81 1vyd s GLU 26 Cb -0.43 -4.54 -0.12 0.00 0.10 0.00 0.00 34.13 29.14 1vyd s GLU 26 CO 0.32 -1.58 1.36 0.82 0.02 0.00 0.00 175.26 176.19 1vyd h ILE 27 N 5.61 1.32 -3.14 -1.63 5.03 -1.47 -3.41 117.51 119.81 1vyd h ILE 27 Ca -0.03 -1.60 -0.44 0.00 -0.12 0.00 0.00 64.86 62.67 1vyd h ILE 27 Cb 1.05 1.79 -0.40 0.00 -3.03 0.00 0.00 36.82 36.23 1vyd h ILE 27 CO 1.02 0.50 -0.75 -0.69 -0.68 0.00 0.00 178.15 177.55 1vyd s VAL 28 N -4.11 -0.06 -0.21 1.67 1.01 -0.86 -4.98 120.40 112.86 1vyd s VAL 28 Ca -0.12 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.60 1vyd s VAL 28 Cb 0.08 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 1vyd s VAL 28 CO 0.83 -0.13 0.89 -0.75 0.00 0.00 0.00 175.10 175.95 1vyd s LYS 29 N 2.13 4.25 0.00 2.72 2.20 -1.26 -1.44 119.74 128.34 1vyd s LYS 29 Ca 0.03 1.09 0.00 0.00 -0.36 0.00 0.00 55.97 56.73 1vyd s LYS 29 Cb -0.15 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 1vyd s LYS 29 CO -0.07 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 1vyd n GLY 30 N 3.52 5.46 2.31 5.54 0.00 -1.26 -4.96 105.19 115.79 1vyd n GLY 30 Ca 0.07 -1.16 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 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 0.69 -0.86 4.61 0.00 -1.07 -4.79 120.51 116.09 1vyd n ALA 31 Ca 0.00 -1.26 0.06 0.00 0.00 0.00 0.00 53.44 52.24 1vyd n ALA 31 Cb 0.00 0.37 0.09 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.67 1.58 0.08 0.00 5.02 -1.23 -3.12 118.16 118.82 1vyd n LYS 32 Ca 0.08 -2.09 -0.15 0.00 -2.02 0.00 0.00 58.31 54.13 1vyd n LYS 32 Cb 0.36 -1.25 -0.14 0.00 -0.02 0.00 0.00 35.03 33.98 1vyd n LYS 32 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1vyd h THR 33 N 0.68 1.40 -1.50 -0.18 1.35 -1.72 -3.44 112.91 109.50 1vyd h THR 33 Ca 0.00 -3.02 -0.43 0.00 -0.55 0.00 0.00 66.41 62.42 1vyd h THR 33 Cb 0.90 2.86 0.02 0.00 -1.73 0.00 0.00 68.15 70.20 1vyd h THR 33 CO 0.00 0.87 -0.28 -0.83 -0.25 0.00 0.00 175.52 175.03 1vyd s GLY 34 N -4.77 1.90 0.51 5.82 0.00 0.10 -5.03 107.32 105.86 1vyd s GLY 34 Ca -0.05 -1.64 -0.19 0.00 0.00 0.00 0.00 44.72 42.84 1vyd s GLY 34 CO 0.86 -1.48 1.05 2.56 0.00 0.00 0.00 173.10 176.09 1vyd s PRO 35 N -4.31 3.66 0.12 2.90 0.04 -1.26 -4.61 135.00 131.54 1vyd s PRO 35 Ca 0.53 1.34 -0.35 0.00 0.04 0.00 0.00 61.00 62.56 1vyd s PRO 35 Cb -0.10 -2.07 -0.16 0.00 0.04 0.00 0.00 34.50 32.21 1vyd s PRO 35 CO 0.33 -0.54 1.24 -1.71 0.04 0.00 0.00 177.00 176.35 1vyd n ASN 36 N -1.23 1.42 -0.51 6.66 4.05 -1.26 -4.53 115.26 119.85 1vyd n ASN 36 Ca 0.09 1.13 0.09 0.00 0.45 0.00 0.00 54.58 56.34 1vyd n ASN 36 Cb 0.52 -1.19 0.02 0.00 1.23 0.00 0.00 39.78 40.37 1vyd n ASN 36 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1vyd n LEU 37 N 2.25 2.00 -4.66 1.20 4.77 -0.76 -4.86 117.00 116.94 1vyd n LEU 37 Ca 0.17 -0.84 -0.47 0.00 -0.03 0.00 0.00 56.01 54.84 1vyd n LEU 37 Cb 0.21 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1vyd n LEU 37 CO 0.62 0.37 1.18 0.00 -1.33 0.00 0.00 177.39 178.22 1vyd n TYR 38 N 0.27 2.20 -0.92 -1.77 4.19 -1.26 -1.55 117.16 118.32 1vyd n TYR 38 Ca 0.08 0.29 0.00 0.00 3.31 0.00 0.00 57.90 61.59 1vyd n TYR 38 Cb 0.40 -2.53 0.00 0.00 0.49 0.00 0.00 39.34 37.71 1vyd n TYR 38 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1vyd n GLY 39 N 3.37 0.88 0.27 2.98 0.00 -1.26 -4.91 105.19 106.52 1vyd n GLY 39 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 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 1.23 -2.55 1.61 3.04 -1.60 -3.32 116.25 114.67 1vyd h VAL 40 Ca 0.00 -1.00 -0.56 0.00 -1.01 0.00 0.00 66.70 64.12 1vyd h VAL 40 Cb 0.00 1.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.28 1vyd h VAL 40 CO 0.00 0.34 1.22 -0.69 -1.01 0.00 0.00 177.57 177.44 1vyd s VAL 41 N -4.86 3.44 0.00 1.51 1.01 -1.26 -1.37 120.40 118.86 1vyd s VAL 41 Ca -0.08 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1vyd s VAL 41 Cb 0.15 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1vyd s VAL 41 CO 0.79 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1vyd n GLY 42 N 4.90 1.65 3.80 4.51 0.00 0.20 -4.99 105.19 115.26 1vyd n GLY 42 Ca 0.21 0.00 -0.36 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 -0.76 4.38 0.28 1.61 3.52 -0.47 -4.65 118.95 122.86 1vyd s ARG 43 Ca 0.00 1.07 -0.30 0.00 -0.13 0.00 0.00 55.73 56.37 1vyd s ARG 43 Cb 0.00 -2.79 -0.10 0.00 -1.56 0.00 0.00 34.95 30.50 1vyd s ARG 43 CO 0.00 0.31 1.46 0.99 -0.81 0.00 0.00 175.30 177.26 1vyd s THR 44 N -1.62 2.46 0.37 4.11 2.01 -1.26 -1.42 115.64 120.29 1vyd s THR 44 Ca 0.47 0.40 -0.28 0.00 0.31 0.00 0.00 61.69 62.60 1vyd s THR 44 Cb -0.17 -3.26 -0.11 0.00 0.01 0.00 0.00 72.50 68.97 1vyd s THR 44 CO 0.22 0.07 1.48 0.00 -0.69 0.00 0.00 174.62 175.70 1vyd n ALA 45 N 1.90 2.31 -1.69 7.40 0.00 0.14 -3.50 120.51 127.07 1vyd n ALA 45 Ca 0.06 0.35 -0.05 0.00 0.00 0.00 0.00 53.44 53.79 1vyd n ALA 45 Cb 0.40 -2.41 -0.01 0.00 0.00 0.00 0.00 19.45 17.42 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 0.64 0.43 0.00 0.00 0.00 -1.26 -3.42 105.19 101.58 1vyd n GLY 46 Ca 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.50 0.47 -1.80 2.61 -2.24 -1.23 -4.72 114.28 103.87 1vyd n THR 47 Ca -0.06 -0.55 -0.41 0.00 -2.27 0.00 0.00 64.05 60.75 1vyd n THR 47 Cb 0.39 0.86 -0.01 0.00 -2.10 0.00 0.00 70.33 69.46 1vyd n THR 47 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1vyd s TYR 48 N -0.47 2.75 0.48 4.78 5.04 -1.26 -4.88 117.35 123.78 1vyd s TYR 48 Ca 0.00 0.85 -0.24 0.00 -2.44 0.00 0.00 57.07 55.24 1vyd s TYR 48 Cb 0.00 -4.05 -0.07 0.00 0.35 0.00 0.00 41.96 38.20 1vyd s TYR 48 CO 0.00 -3.45 1.34 -1.25 -1.34 0.00 0.00 175.55 170.85 1vyd s PRO 49 N -0.70 3.55 -2.06 4.97 0.04 -1.26 -3.45 135.00 136.10 1vyd s PRO 49 Ca 0.62 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.86 1vyd s PRO 49 Cb -0.47 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1vyd s PRO 49 CO 0.50 -0.85 0.00 0.39 0.04 0.00 0.00 177.00 177.07 1vyd n GLU 50 N -0.48 -1.47 -4.37 4.56 1.02 -1.26 -4.99 120.64 113.64 1vyd n GLU 50 Ca 0.07 1.18 -0.34 0.00 -0.02 0.00 0.00 57.16 58.05 1vyd n GLU 50 Cb 0.44 -5.57 -0.11 0.00 -0.02 0.00 0.00 31.44 26.18 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 -2.66 3.07 -0.59 -0.32 5.36 -1.22 -5.08 117.98 116.54 1vyd s PHE 51 Ca 0.00 -0.14 -0.21 0.00 -0.96 0.00 0.00 56.93 55.63 1vyd s PHE 51 Cb 0.00 -1.92 0.08 0.00 -0.34 0.00 0.00 43.02 40.84 1vyd s PHE 51 CO 0.00 0.11 0.80 0.21 -1.46 0.00 0.00 175.22 174.88 1vyd s LYS 52 N 0.03 3.11 0.68 10.12 2.20 -1.26 -4.91 119.74 129.71 1vyd s LYS 52 Ca 0.01 -0.97 -0.06 0.00 -0.36 0.00 0.00 55.97 54.58 1vyd s LYS 52 Cb -0.13 -4.20 0.05 0.00 -1.51 0.00 0.00 37.83 32.04 1vyd s LYS 52 CO 0.02 -1.57 0.99 0.71 -0.36 0.00 0.00 175.35 175.15 1vyd s TYR 53 N 3.25 2.98 0.68 4.03 1.51 -1.26 -5.10 117.35 123.45 1vyd s TYR 53 Ca 0.17 0.48 -0.11 0.00 -1.01 0.00 0.00 57.07 56.60 1vyd s TYR 53 Cb -0.20 -3.10 0.00 0.00 -0.11 0.00 0.00 41.96 38.55 1vyd s TYR 53 CO 0.10 -1.29 1.07 0.15 -1.11 0.00 0.00 175.55 174.47 1vyd s LYS 54 N -5.19 3.04 0.40 -0.62 -0.14 -1.26 -4.96 119.74 111.02 1vyd s LYS 54 Ca 0.59 0.68 0.29 0.00 -1.36 0.00 0.00 55.97 56.17 1vyd s LYS 54 Cb -0.11 -2.02 1.24 0.00 -1.68 0.00 0.00 37.83 35.26 1vyd s LYS 54 CO 0.45 -0.96 1.86 0.38 -0.76 0.00 0.00 175.35 176.32 1vyd h ASP 55 N -0.60 0.00 0.35 2.83 -0.00 -1.99 -3.15 116.42 113.86 1vyd h ASP 55 Ca -0.45 0.00 -0.22 0.00 -0.00 0.00 0.00 57.03 56.36 1vyd h ASP 55 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.55 1vyd h ASP 55 CO 0.61 0.00 -0.92 0.28 -0.00 0.00 0.00 179.24 179.21 1vyd h SER 56 N 0.00 0.51 1.12 4.15 0.02 -1.94 -1.11 113.55 116.30 1vyd h SER 56 Ca 0.00 -0.40 -0.17 0.00 -0.84 0.00 0.00 61.79 60.38 1vyd h SER 56 Cb 0.38 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1vyd h SER 56 CO 0.00 1.20 -0.80 -0.29 -1.14 0.00 0.00 176.83 175.80 1vyd h ILE 57 N 0.22 1.41 -0.55 3.27 2.10 -1.81 -1.56 117.51 120.59 1vyd h ILE 57 Ca -0.07 -2.91 -0.10 0.00 1.08 0.00 0.00 64.86 62.86 1vyd h ILE 57 Cb 1.55 2.64 -0.02 0.00 -1.09 0.00 0.00 36.82 39.91 1vyd h ILE 57 CO 0.16 0.78 -0.05 0.58 -1.08 0.00 0.00 178.15 178.54 1vyd h VAL 58 N 0.00 1.27 -0.01 2.19 2.07 -1.46 -2.27 116.25 118.03 1vyd h VAL 58 Ca -0.01 -1.19 -0.14 0.00 0.82 0.00 0.00 66.70 66.18 1vyd h VAL 58 Cb 1.58 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 1vyd h VAL 58 CO 0.10 0.43 -0.63 0.00 0.02 0.00 0.00 177.57 177.49 1vyd h ALA 59 N 0.95 0.94 -0.56 1.67 0.00 -1.07 -1.06 119.26 120.13 1vyd h ALA 59 Ca 0.15 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 1vyd h ALA 59 Cb 0.61 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1vyd h ALA 59 CO 0.04 0.78 -0.07 1.25 0.00 0.00 0.00 179.25 181.25 1vyd h LEU 60 N 0.02 1.02 -0.99 0.00 5.85 -1.00 -2.70 115.31 117.51 1vyd h LEU 60 Ca -0.01 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.30 1vyd h LEU 60 Cb 1.12 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1vyd h LEU 60 CO 0.08 1.11 -0.44 1.23 -0.34 0.00 0.00 178.44 180.09 1vyd h GLY 61 N 0.96 0.00 1.93 3.75 0.00 -1.09 -2.86 103.07 105.75 1vyd h GLY 61 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 1vyd h GLY 61 CO 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 176.54 176.40 1vyd h ALA 62 N 1.56 1.60 0.00 3.60 0.00 -0.89 0.11 119.26 125.24 1vyd h ALA 62 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1vyd h ALA 62 Cb 0.89 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1vyd h ALA 62 CO 0.06 0.30 0.00 -1.13 0.00 0.00 0.00 179.25 178.48 1vyd n SER 63 N -4.28 0.00 0.00 0.00 3.41 -1.09 -4.82 113.62 106.84 1vyd n SER 63 Ca -0.02 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1vyd n SER 63 Cb 0.27 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.66 0.64 3.73 5.00 0.00 0.37 -5.05 105.19 110.55 1vyd n GLY 64 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 3.40 -0.04 1.61 5.36 -1.09 -4.95 117.98 120.27 1vyd s PHE 65 Ca 0.00 1.35 0.05 0.00 -0.96 0.00 0.00 56.93 57.37 1vyd s PHE 65 Cb 0.00 -3.46 -0.02 0.00 -0.34 0.00 0.00 43.02 39.19 1vyd s PHE 65 CO 0.00 -1.37 -0.20 0.00 -1.46 0.00 0.00 175.22 172.19 1vyd s ALA 66 N 0.26 2.43 0.37 11.12 0.00 -1.26 -0.68 121.76 134.00 1vyd s ALA 66 Ca 0.55 -1.03 -0.28 0.00 0.00 0.00 0.00 51.96 51.20 1vyd s ALA 66 Cb -0.33 -0.80 -0.10 0.00 0.00 0.00 0.00 23.12 21.89 1vyd s ALA 66 CO 0.35 0.52 1.42 -1.58 0.00 0.00 0.00 175.76 176.47 1vyd s TRP 67 N -0.59 2.71 0.32 0.00 0.52 -0.51 -4.77 118.94 116.63 1vyd s TRP 67 Ca 0.09 1.26 0.10 0.00 0.02 0.00 0.00 56.10 57.56 1vyd s TRP 67 Cb -0.11 -3.90 -0.06 0.00 -1.15 0.00 0.00 33.47 28.25 1vyd s TRP 67 CO 0.00 -2.62 -0.12 0.95 0.02 0.00 0.00 176.95 175.19 1vyd s THR 68 N -1.14 2.20 0.16 2.01 -4.23 -1.26 0.58 115.64 113.96 1vyd s THR 68 Ca 0.53 -2.24 -0.20 0.00 -1.18 0.00 0.00 61.69 58.60 1vyd s THR 68 Cb -0.44 -2.52 0.07 0.00 1.34 0.00 0.00 72.50 70.95 1vyd s THR 68 CO 0.59 -0.27 1.64 -0.33 -0.54 0.00 0.00 174.62 175.71 1vyd h GLU 69 N 2.13 -0.13 -0.99 3.99 5.08 -1.96 -0.20 114.58 122.50 1vyd h GLU 69 Ca -0.41 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 57.98 1vyd h GLU 69 Cb 1.25 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.48 1vyd h GLU 69 CO 0.67 -0.09 0.65 1.49 -1.00 0.00 0.00 179.01 180.74 1vyd h GLU 70 N -0.14 1.27 -0.13 2.33 4.81 -1.96 0.10 114.58 120.87 1vyd h GLU 70 Ca 0.17 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 1vyd h GLU 70 Cb 0.40 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1vyd h GLU 70 CO -0.42 0.84 -0.37 -0.44 -0.73 0.00 0.00 179.01 177.89 1vyd h ASP 71 N 1.31 0.28 -0.11 1.04 5.19 -1.75 -2.73 116.42 119.64 1vyd h ASP 71 Ca 0.37 -0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.65 1vyd h ASP 71 Cb -0.10 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.33 1vyd h ASP 71 CO -0.09 0.63 -0.03 0.40 -3.12 0.00 0.00 179.24 177.03 1vyd h ILE 72 N 0.23 1.30 -0.80 0.35 2.04 0.71 -2.39 117.51 118.95 1vyd h ILE 72 Ca 0.02 -0.98 0.09 0.00 1.00 0.00 0.00 64.86 64.99 1vyd h ILE 72 Cb 0.77 1.72 -0.05 0.00 -0.74 0.00 0.00 36.82 38.51 1vyd h ILE 72 CO 0.06 0.28 0.52 0.00 0.00 0.00 0.00 178.15 179.01 1vyd h ALA 73 N 0.68 1.72 -0.04 1.87 0.00 -0.84 -2.08 119.26 120.58 1vyd h ALA 73 Ca 0.03 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1vyd h ALA 73 Cb 0.46 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1vyd h ALA 73 CO 0.01 0.13 -0.40 1.15 0.00 0.00 0.00 179.25 180.14 1vyd h THR 74 N 0.77 1.44 -0.96 0.00 2.02 -1.43 -3.31 112.91 111.45 1vyd h THR 74 Ca 0.36 -1.87 0.06 0.00 0.77 0.00 0.00 66.41 65.73 1vyd h THR 74 Cb 0.39 2.48 -0.06 0.00 -1.74 0.00 0.00 68.15 69.21 1vyd h THR 74 CO -0.14 0.54 0.63 0.22 0.37 0.00 0.00 175.52 177.14 1vyd h TYR 75 N -0.19 1.15 0.00 3.16 3.20 -1.23 -2.96 116.97 120.10 1vyd h TYR 75 Ca -0.04 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 1vyd h TYR 75 Cb 1.09 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 1vyd h TYR 75 CO 0.14 0.61 -0.22 -0.39 -1.64 0.00 0.00 178.16 176.66 1vyd h VAL 76 N 1.14 0.69 -0.41 1.81 -1.51 -1.47 0.19 116.25 116.68 1vyd h VAL 76 Ca 0.41 -0.95 -0.03 0.00 -1.23 0.00 0.00 66.70 64.91 1vyd h VAL 76 Cb 0.15 1.60 -0.02 0.00 -2.13 0.00 0.00 31.29 30.89 1vyd h VAL 76 CO -0.15 0.22 0.15 0.11 -1.23 0.00 0.00 177.57 176.66 1vyd h LYS 77 N 0.00 0.58 -0.38 5.19 6.56 -1.60 1.08 116.57 128.00 1vyd h LYS 77 Ca -0.00 -0.08 0.03 0.00 -1.06 0.00 0.00 60.65 59.54 1vyd h LYS 77 Cb 0.58 -0.11 -0.17 0.00 -0.57 0.00 0.00 32.23 31.97 1vyd h LYS 77 CO 0.03 0.50 -0.20 0.34 -2.06 0.00 0.00 179.45 178.06 1vyd s ASP 78 N -6.68 -0.57 0.18 0.86 2.15 -0.92 -4.09 116.67 107.59 1vyd s ASP 78 Ca -0.08 -0.48 -0.21 0.00 0.43 0.00 0.00 52.55 52.21 1vyd s ASP 78 Cb 0.16 0.74 0.10 0.00 -0.30 0.00 0.00 42.92 43.62 1vyd s ASP 78 CO 0.76 -0.04 1.60 -0.65 -0.17 0.00 0.00 175.17 176.66 1vyd h PRO 79 N 5.08 -0.18 -0.54 4.34 0.11 -0.87 -2.56 132.00 137.37 1vyd h PRO 79 Ca -0.00 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.15 1vyd h PRO 79 Cb 1.19 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1vyd h PRO 79 CO -0.06 -0.12 0.36 0.78 -0.21 0.00 0.00 178.00 178.75 1vyd h GLY 80 N -0.19 0.72 0.88 -0.55 0.00 -1.89 -2.49 103.07 99.53 1vyd h GLY 80 Ca 0.21 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 1vyd h GLY 80 CO -0.59 0.22 0.02 0.00 0.00 0.00 0.00 176.54 176.19 1vyd h ALA 81 N 1.68 0.38 -0.62 3.60 0.00 -1.86 -2.60 119.26 119.84 1vyd h ALA 81 Ca 0.22 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1vyd h ALA 81 Cb 0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1vyd h ALA 81 CO -0.06 0.11 0.40 0.35 0.00 0.00 0.00 179.25 180.05 1vyd h PHE 82 N 0.29 0.75 -0.57 0.00 3.04 -1.12 0.29 116.94 119.62 1vyd h PHE 82 Ca 0.08 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.00 1vyd h PHE 82 Cb 0.40 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.64 1vyd h PHE 82 CO 0.03 0.46 0.16 -0.07 -2.02 0.00 0.00 178.31 176.86 1vyd h LEU 83 N 0.80 0.85 -0.40 0.59 3.38 -1.36 0.74 115.31 119.91 1vyd h LEU 83 Ca 0.23 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1vyd h LEU 83 Cb -0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1vyd h LEU 83 CO -0.07 0.84 0.25 0.11 0.09 0.00 0.00 178.44 179.66 1vyd h LYS 84 N 0.80 0.49 0.02 1.13 1.57 -1.21 0.77 116.57 120.14 1vyd h LYS 84 Ca 0.18 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1vyd h LYS 84 Cb 0.32 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1vyd h LYS 84 CO -0.00 0.33 -0.01 1.05 -0.57 0.00 0.00 179.45 180.24 1vyd h GLU 85 N 0.51 -0.03 -0.38 3.15 4.11 -0.66 -0.90 114.58 120.37 1vyd h GLU 85 Ca 0.15 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.49 1vyd h GLU 85 Cb -0.02 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1vyd h GLU 85 CO -0.05 0.28 -0.16 0.87 0.07 0.00 0.00 179.01 180.01 1vyd h LYS 86 N -0.33 0.71 0.00 1.06 1.79 -0.52 -2.48 116.57 116.80 1vyd h LYS 86 Ca -0.00 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1vyd h LYS 86 Cb 0.32 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1vyd h LYS 86 CO 0.00 0.83 -0.23 1.28 -1.08 0.00 0.00 179.45 180.26 1vyd n LEU 87 N -4.15 0.36 -3.58 2.94 4.77 0.26 -4.89 117.00 112.72 1vyd n LEU 87 Ca 0.01 0.33 -0.19 0.00 -0.03 0.00 0.00 56.01 56.13 1vyd n LEU 87 Cb 0.39 -0.36 0.06 0.00 -2.33 0.00 0.00 43.42 41.17 1vyd n LEU 87 CO 0.43 0.00 0.01 -0.67 -1.33 0.00 0.00 177.39 175.83 1vyd n ASP 88 N -1.69 -1.55 -3.39 -1.43 -0.08 -0.40 -4.98 116.55 103.03 1vyd n ASP 88 Ca 0.06 -0.73 -0.15 0.00 -1.51 0.00 0.00 54.79 52.46 1vyd n ASP 88 Cb 0.36 -4.53 -0.09 0.00 2.34 0.00 0.00 41.12 39.20 1vyd n ASP 88 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1vyd s ASP 89 N -4.36 1.29 0.04 1.67 3.68 -0.85 -5.02 116.67 113.12 1vyd s ASP 89 Ca 0.00 -0.55 0.03 0.00 2.13 0.00 0.00 52.55 54.16 1vyd s ASP 89 Cb -0.00 0.66 0.14 0.00 -1.45 0.00 0.00 42.92 42.26 1vyd s ASP 89 CO 0.78 -0.37 1.05 0.29 0.13 0.00 0.00 175.17 177.05 1vyd n LYS 90 N 5.32 0.02 -0.52 4.34 5.02 -1.26 -0.28 118.16 130.80 1vyd n LYS 90 Ca -0.02 0.49 0.08 0.00 -2.02 0.00 0.00 58.31 56.84 1vyd n LYS 90 Cb 0.47 -1.58 0.30 0.00 -0.02 0.00 0.00 35.03 34.20 1vyd n LYS 90 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1vyd n LYS 91 N -1.56 3.51 -1.92 1.97 4.81 -1.26 -4.98 118.16 118.72 1vyd n LYS 91 Ca -0.00 -2.76 -0.41 0.00 -0.87 0.00 0.00 58.31 54.26 1vyd n LYS 91 Cb 0.03 -1.82 -0.02 0.00 0.02 0.00 0.00 35.03 33.25 1vyd n LYS 91 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vyd s ALA 92 N -2.10 3.69 0.07 3.14 0.00 0.62 -4.99 121.76 122.18 1vyd s ALA 92 Ca 0.44 1.42 0.02 0.00 0.00 0.00 0.00 51.96 53.85 1vyd s ALA 92 Cb 0.31 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1vyd s ALA 92 CO 0.17 -0.83 -0.08 -1.59 0.00 0.00 0.00 175.76 173.43 1vyd s LYS 93 N -0.29 0.70 0.16 0.00 -2.85 -1.26 -4.70 119.74 111.49 1vyd s LYS 93 Ca 0.62 -1.03 0.10 0.00 -1.00 0.00 0.00 55.97 54.65 1vyd s LYS 93 Cb -0.44 -0.32 -0.04 0.00 -2.06 0.00 0.00 37.83 34.97 1vyd s LYS 93 CO 0.44 0.04 -0.19 -0.08 0.10 0.00 0.00 175.35 175.66 1vyd s THR 94 N -2.34 2.71 -0.45 3.79 -1.32 -1.26 -4.23 115.64 112.54 1vyd s THR 94 Ca 0.00 -1.72 0.22 0.00 -1.21 0.00 0.00 61.69 58.98 1vyd s THR 94 Cb -0.03 -2.28 -0.28 0.00 -1.51 0.00 0.00 72.50 68.40 1vyd s THR 94 CO -0.01 -0.01 0.68 1.21 -2.21 0.00 0.00 174.62 174.27 1vyd n GLU 95 N 0.49 0.37 -2.19 7.08 4.07 -1.26 -4.79 120.64 124.42 1vyd n GLU 95 Ca -0.14 -0.11 -0.40 0.00 -0.06 0.00 0.00 57.16 56.45 1vyd n GLU 95 Cb 0.54 -1.52 -0.03 0.00 -0.06 0.00 0.00 31.44 30.38 1vyd n GLU 95 CO 0.00 0.00 0.00 1.41 -0.06 0.00 0.00 177.13 178.48 1vyd s MET 96 N -3.29 2.96 -1.35 5.31 1.75 -1.26 -4.90 119.30 118.52 1vyd s MET 96 Ca -0.01 0.57 -0.07 0.00 -1.25 0.00 0.00 55.69 54.94 1vyd s MET 96 Cb 0.15 -4.27 0.11 0.00 2.84 0.00 0.00 34.83 33.66 1vyd s MET 96 CO 0.89 -2.34 2.34 0.00 -0.65 0.00 0.00 175.02 175.25 1vyd n ALA 97 N 11.20 6.56 -3.62 4.11 0.00 -1.26 -4.86 120.51 132.65 1vyd n ALA 97 Ca 0.17 -4.07 -0.11 0.00 0.00 0.00 0.00 53.44 49.42 1vyd n ALA 97 Cb 0.50 -2.90 -0.07 0.00 0.00 0.00 0.00 19.45 16.98 1vyd n ALA 97 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1vyd s PHE 98 N -0.39 -0.86 -0.01 0.00 2.19 -1.26 -5.16 117.98 112.48 1vyd s PHE 98 Ca 0.52 1.93 0.06 0.00 0.33 0.00 0.00 56.93 59.78 1vyd s PHE 98 Cb 0.16 0.39 -0.02 0.00 -1.31 0.00 0.00 43.02 42.25 1vyd s PHE 98 CO -0.07 -0.42 -0.20 0.15 1.83 0.00 0.00 175.22 176.51 1vyd s LYS 99 N 0.85 1.62 -0.50 10.12 1.02 -1.26 -4.60 119.74 127.00 1vyd s LYS 99 Ca -0.04 -0.72 -0.01 0.00 0.02 0.00 0.00 55.97 55.22 1vyd s LYS 99 Cb -0.05 -1.57 0.13 0.00 -0.52 0.00 0.00 37.83 35.82 1vyd s LYS 99 CO -0.07 0.43 0.28 -1.17 -0.92 0.00 0.00 175.35 173.90 1vyd s LEU 100 N -0.48 5.06 0.25 3.17 2.96 0.37 -4.94 118.68 125.06 1vyd s LEU 100 Ca 0.08 -2.50 -0.05 0.00 -0.22 0.00 0.00 54.13 51.44 1vyd s LEU 100 Cb -0.08 -1.79 0.33 0.00 0.50 0.00 0.00 46.19 45.15 1vyd s LEU 100 CO -0.01 -0.42 1.87 0.00 -1.32 0.00 0.00 176.35 176.48 1vyd h ALA 101 N 7.39 1.23 -3.51 5.97 0.00 -1.84 -3.33 119.26 125.17 1vyd h ALA 101 Ca -0.07 -0.02 -0.40 0.00 0.00 0.00 0.00 54.91 54.42 1vyd h ALA 101 Cb 0.99 -0.28 -0.23 0.00 0.00 0.00 0.00 17.79 18.27 1vyd h ALA 101 CO 0.68 0.38 -0.78 0.21 0.00 0.00 0.00 179.25 179.74 1vyd s LYS 102 N -6.07 0.80 0.00 0.00 2.20 -1.26 -4.82 119.74 110.59 1vyd s LYS 102 Ca -0.13 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.65 1vyd s LYS 102 Cb 0.18 -0.78 0.00 0.00 -1.51 0.00 0.00 37.83 35.73 1vyd s LYS 102 CO 0.80 0.18 0.00 0.41 -0.36 0.00 0.00 175.35 176.38 1vyd n GLY 103 N 1.57 0.26 0.41 5.54 0.00 -1.26 -5.01 105.19 106.70 1vyd n GLY 103 Ca -0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.55 2.00 -0.02 0.00 -1.84 -0.60 103.07 102.06 1vyd h GLY 104 Ca 0.00 0.66 -0.03 0.00 0.00 0.00 0.00 47.33 47.96 1vyd h GLY 104 CO 0.00 -0.09 -0.14 1.05 0.00 0.00 0.00 176.54 177.36 1vyd h GLU 105 N -0.12 0.00 -0.17 4.80 -0.00 -1.93 -1.92 114.58 115.23 1vyd h GLU 105 Ca 0.19 0.00 -0.20 0.00 -0.00 0.00 0.00 59.36 59.36 1vyd h GLU 105 Cb 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.28 1vyd h GLU 105 CO -0.83 0.14 -0.65 -0.44 -0.00 0.00 0.00 179.01 177.23 1vyd h ASP 106 N 0.00 0.88 0.15 3.06 3.45 -1.43 -1.30 116.42 121.23 1vyd h ASP 106 Ca -0.00 -0.61 -0.15 0.00 0.43 0.00 0.00 57.03 56.71 1vyd h ASP 106 Cb 0.29 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.79 1vyd h ASP 106 CO 0.02 1.34 -0.53 1.62 -1.57 0.00 0.00 179.24 180.11 1vyd h VAL 107 N 0.47 1.34 -0.47 -1.35 3.04 -1.02 -2.10 116.25 116.17 1vyd h VAL 107 Ca -0.03 -1.80 -0.12 0.00 -1.01 0.00 0.00 66.70 63.74 1vyd h VAL 107 Cb 1.28 1.81 -0.01 0.00 -2.01 0.00 0.00 31.29 32.36 1vyd h VAL 107 CO 0.14 0.55 -0.18 0.00 -1.01 0.00 0.00 177.57 177.06 1vyd h ALA 108 N 1.10 0.65 -0.28 3.17 0.00 -1.39 -1.19 119.26 121.33 1vyd h ALA 108 Ca 0.01 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 1vyd h ALA 108 Cb 1.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1vyd h ALA 108 CO 0.09 0.61 -0.34 0.00 0.00 0.00 0.00 179.25 179.61 1vyd h ALA 109 N 0.86 0.89 -0.18 0.00 0.00 -1.03 -2.64 119.26 117.16 1vyd h ALA 109 Ca 0.11 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1vyd h ALA 109 Cb 0.75 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1vyd h ALA 109 CO 0.06 0.63 -0.19 -0.92 0.00 0.00 0.00 179.25 178.82 1vyd h TYR 110 N 0.51 0.34 -0.00 0.00 3.20 -0.62 -0.81 116.97 119.59 1vyd h TYR 110 Ca 0.06 -0.05 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 1vyd h TYR 110 Cb 0.83 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 1vyd h TYR 110 CO 0.03 0.50 -0.51 -0.07 -1.64 0.00 0.00 178.16 176.47 1vyd h LEU 111 N 0.29 0.01 -0.33 2.82 -0.00 -0.99 -1.90 115.31 115.21 1vyd h LEU 111 Ca 0.05 -0.01 -0.19 0.00 -0.00 0.00 0.00 57.88 57.73 1vyd h LEU 111 Cb 0.51 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 1vyd h LEU 111 CO 0.03 0.52 -0.83 0.00 -0.00 0.00 0.00 178.44 178.17 1vyd h ALA 112 N 1.48 0.55 0.00 1.53 0.00 -1.25 -3.30 119.26 118.27 1vyd h ALA 112 Ca -0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 54.91 54.09 1vyd h ALA 112 Cb 0.91 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1vyd h ALA 112 CO 0.07 0.86 -0.63 0.66 0.00 0.00 0.00 179.25 180.21 1vyd h SER 113 N 0.15 0.00 0.58 0.00 4.64 -0.54 -3.36 113.55 115.02 1vyd h SER 113 Ca -0.04 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 1vyd h SER 113 Cb 1.44 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.52 1vyd h SER 113 CO 0.13 0.63 -0.32 -0.37 -0.87 0.00 0.00 176.83 176.02 1vyd h VAL 114 N 0.00 0.95 0.00 0.95 -1.51 -1.45 -2.47 116.25 112.72 1vyd h VAL 114 Ca -0.01 -1.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.23 1vyd h VAL 114 Cb 1.24 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 32.13 1vyd h VAL 114 CO 0.08 0.32 0.00 -0.37 -1.23 0.00 0.00 177.57 176.37 1vyd h VAL 115 N 0.00 0.00 -0.00 7.19 -1.51 -1.77 -3.50 116.25 116.65 1vyd h VAL 115 Ca -0.00 -0.74 0.00 0.00 -1.23 0.00 0.00 66.70 64.72 1vyd h VAL 115 Cb 0.70 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 1vyd h VAL 115 CO 0.04 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.67