#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ypy h ALA 5 N 0.00 1.42 -0.28 0.00 0.00 -1.99 0.84 119.26 119.26 1ypy h ALA 5 Ca 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1ypy h ALA 5 Cb 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1ypy h ALA 5 CO 0.00 0.40 -0.30 1.03 0.00 0.00 0.00 179.25 180.38 1ypy h SER 6 N 0.39 0.74 -0.37 0.00 0.87 -2.05 -2.70 113.55 110.43 1ypy h SER 6 Ca 0.08 -0.48 -0.01 0.00 -1.23 0.00 0.00 61.79 60.15 1ypy h SER 6 Cb 0.35 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1ypy h SER 6 CO 0.02 1.07 0.20 0.40 -0.53 0.00 0.00 176.83 177.99 1ypy h ILE 7 N 0.42 1.14 -0.52 2.23 2.04 -1.89 -1.81 117.51 119.13 1ypy h ILE 7 Ca 0.04 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.53 1ypy h ILE 7 Cb 0.87 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1ypy h ILE 7 CO 0.07 0.15 0.33 -0.61 0.00 0.00 0.00 178.15 178.09 1ypy h GLN 8 N 0.47 0.65 -0.54 2.37 5.75 -0.85 0.19 115.11 123.15 1ypy h GLN 8 Ca 0.13 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.57 1ypy h GLN 8 Cb 0.06 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 1ypy h GLN 8 CO -0.02 0.43 0.26 1.15 -2.65 0.00 0.00 178.83 178.00 1ypy h THR 9 N 0.67 1.20 -0.62 2.39 2.02 -1.36 -0.44 112.91 116.77 1ypy h THR 9 Ca 0.19 -0.57 -0.09 0.00 0.77 0.00 0.00 66.41 66.71 1ypy h THR 9 Cb -0.05 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1ypy h THR 9 CO -0.06 0.23 0.03 0.74 0.37 0.00 0.00 175.52 176.83 1ypy h THR 10 N 0.73 1.27 -0.21 3.16 2.02 -0.91 -1.74 112.91 117.22 1ypy h THR 10 Ca 0.19 -1.12 -0.10 0.00 0.77 0.00 0.00 66.41 66.15 1ypy h THR 10 Cb 0.12 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1ypy h THR 10 CO -0.02 0.41 -0.28 -0.37 0.37 0.00 0.00 175.52 175.62 1ypy h VAL 11 N 0.98 1.27 -0.49 3.16 -1.51 -0.33 -0.04 116.25 119.28 1ypy h VAL 11 Ca 0.18 -1.30 -0.09 0.00 -1.23 0.00 0.00 66.70 64.25 1ypy h VAL 11 Cb 0.53 1.42 -0.02 0.00 -2.13 0.00 0.00 31.29 31.09 1ypy h VAL 11 CO 0.03 0.41 -0.05 0.78 -1.23 0.00 0.00 177.57 177.50 1ypy h ASN 12 N 0.37 0.90 -0.44 4.19 2.35 -0.82 0.85 115.58 122.98 1ypy h ASN 12 Ca 0.05 -0.33 -0.02 0.00 -0.55 0.00 0.00 56.30 55.45 1ypy h ASN 12 Cb 0.69 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 1ypy h ASN 12 CO 0.05 1.02 0.20 0.74 -1.65 0.00 0.00 177.43 177.79 1ypy h THR 13 N 0.76 1.19 -0.53 2.81 2.02 -0.96 -0.87 112.91 117.32 1ypy h THR 13 Ca 0.13 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 1ypy h THR 13 Cb 0.59 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 1ypy h THR 13 CO 0.04 0.21 0.33 0.25 0.37 0.00 0.00 175.52 176.71 1ypy h LEU 14 N 0.56 0.63 -0.81 2.58 5.85 -0.74 -0.12 115.31 123.27 1ypy h LEU 14 Ca 0.15 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1ypy h LEU 14 Cb 0.14 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1ypy h LEU 14 CO -0.02 0.49 0.42 -1.28 -0.34 0.00 0.00 178.44 177.72 1ypy h SER 15 N 0.72 1.03 -0.37 1.25 0.87 -0.52 0.09 113.55 116.62 1ypy h SER 15 Ca 0.19 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.57 1ypy h SER 15 Cb -0.03 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 1ypy h SER 15 CO -0.04 0.84 -0.05 -0.08 -0.53 0.00 0.00 176.83 176.98 1ypy h GLU 16 N 1.13 0.68 -0.42 2.24 4.57 -0.85 -2.13 114.58 119.80 1ypy h GLU 16 Ca 0.28 -0.24 -0.11 0.00 -1.18 0.00 0.00 59.36 58.11 1ypy h GLU 16 Cb 0.06 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1ypy h GLU 16 CO -0.04 0.81 -0.17 0.00 -1.18 0.00 0.00 179.01 178.43 1ypy h ARG 17 N 0.49 0.81 -0.18 1.92 2.47 -0.74 -0.31 114.38 118.82 1ypy h ARG 17 Ca 0.10 -0.30 -0.04 0.00 -1.26 0.00 0.00 59.98 58.48 1ypy h ARG 17 Cb 0.54 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 1ypy h ARG 17 CO 0.03 0.92 -0.02 0.82 0.56 0.00 0.00 179.97 182.28 1ypy h ILE 18 N 0.71 1.27 0.11 2.04 2.04 -0.96 -1.18 117.51 121.55 1ypy h ILE 18 Ca 0.11 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 1ypy h ILE 18 Cb 0.68 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1ypy h ILE 18 CO 0.05 0.28 -0.05 0.28 0.00 0.00 0.00 178.15 178.71 1ypy h SER 19 N 0.07 -0.12 -0.59 1.72 0.02 -1.28 0.09 113.55 113.46 1ypy h SER 19 Ca 0.05 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 1ypy h SER 19 Cb 0.44 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 1ypy h SER 19 CO 0.01 -0.05 0.24 0.77 -1.14 0.00 0.00 176.83 176.66 1ypy h SER 20 N -0.18 0.85 -0.38 3.07 4.64 -1.09 -0.97 113.55 119.49 1ypy h SER 20 Ca -0.01 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.14 1ypy h SER 20 Cb 0.14 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1ypy h SER 20 CO 0.02 0.77 0.06 0.50 -0.87 0.00 0.00 176.83 177.31 1ypy h LYS 21 N 0.91 0.63 -0.65 4.77 1.63 -0.99 0.10 116.57 122.97 1ypy h LYS 21 Ca 0.21 -0.17 -0.07 0.00 -0.85 0.00 0.00 60.65 59.77 1ypy h LYS 21 Cb 0.20 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.73 1ypy h LYS 21 CO -0.02 0.69 0.13 -0.07 -3.45 0.00 0.00 179.45 176.73 1ypy h LEU 22 N 0.47 0.99 -0.42 5.20 3.38 -0.64 0.32 115.31 124.61 1ypy h LEU 22 Ca 0.11 -0.22 -0.17 0.00 0.09 0.00 0.00 57.88 57.69 1ypy h LEU 22 Cb 0.37 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1ypy h LEU 22 CO 0.01 0.97 -0.79 -0.08 0.09 0.00 0.00 178.44 178.64 1ypy h GLU 23 N 0.98 0.10 0.00 1.13 4.81 -1.00 -0.39 114.58 120.21 1ypy h GLU 23 Ca 0.20 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1ypy h GLU 23 Cb 0.39 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1ypy h GLU 23 CO 0.01 0.84 -1.76 1.04 -0.73 0.00 0.00 179.01 178.41 1ypy n GLN 24 N -3.67 0.65 0.00 1.92 6.02 0.34 -4.27 117.38 118.37 1ypy n GLN 24 Ca -0.02 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 1ypy n GLN 24 Cb 0.75 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 30.40 1ypy n GLN 24 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1ypy n GLU 25 N -2.43 0.13 -0.29 -1.09 1.02 0.11 -4.78 120.64 113.31 1ypy n GLU 25 Ca -0.05 -0.27 0.03 0.00 -0.02 0.00 0.00 57.16 56.86 1ypy n GLU 25 Cb 0.62 -0.74 0.05 0.00 -0.02 0.00 0.00 31.44 31.35 1ypy n GLU 25 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ypy n ALA 26 N -0.09 2.01 -4.13 0.62 0.00 -0.20 -4.91 120.51 113.80 1ypy n ALA 26 Ca 0.00 -1.52 -0.33 0.00 0.00 0.00 0.00 53.44 51.60 1ypy n ALA 26 Cb 0.08 -0.40 -0.02 0.00 0.00 0.00 0.00 19.45 19.11 1ypy n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ypy n ASN 27 N -0.51 -2.34 -4.88 0.00 3.02 -0.98 -4.71 115.26 104.86 1ypy n ASN 27 Ca 0.05 -1.01 -0.21 0.00 -0.03 0.00 0.00 54.58 53.39 1ypy n ASN 27 Cb 0.64 -2.87 -0.03 0.00 -0.61 0.00 0.00 39.78 36.91 1ypy n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ypy s ALA 28 N -3.53 4.06 -0.05 5.41 0.00 -0.91 -4.73 121.76 122.01 1ypy s ALA 28 Ca 0.49 -1.83 -0.29 0.00 0.00 0.00 0.00 51.96 50.32 1ypy s ALA 28 Cb -0.26 -1.08 0.10 0.00 0.00 0.00 0.00 23.12 21.87 1ypy s ALA 28 CO 0.91 -0.19 0.82 -1.54 0.00 0.00 0.00 175.76 175.77 1ypy s SER 29 N -4.12 -0.48 0.55 0.00 1.04 -1.13 -4.43 113.70 105.11 1ypy s SER 29 Ca 0.47 0.36 0.36 0.00 0.48 0.00 0.00 55.95 57.63 1ypy s SER 29 Cb -0.04 0.43 1.81 0.00 0.10 0.00 0.00 66.02 68.33 1ypy s SER 29 CO 0.28 -0.57 2.10 0.00 0.98 0.00 0.00 173.24 176.03 1ypy h ALA 30 N 2.51 1.00 0.00 5.32 0.00 -1.90 -2.14 119.26 124.04 1ypy h ALA 30 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ypy h ALA 30 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ypy h ALA 30 CO 0.34 0.00 -0.90 1.04 0.00 0.00 0.00 179.25 179.73 1ypy n GLN 31 N -2.88 0.09 -2.05 0.00 3.00 -1.26 -4.86 117.38 109.42 1ypy n GLN 31 Ca -0.01 -0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.56 1ypy n GLN 31 Cb 0.15 -1.52 -0.02 0.00 0.00 0.00 0.00 30.24 28.84 1ypy n GLN 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1ypy s THR 32 N -3.07 2.68 0.11 5.09 2.01 -0.81 -4.95 115.64 116.71 1ypy s THR 32 Ca 0.07 0.61 -0.31 0.00 0.31 0.00 0.00 61.69 62.38 1ypy s THR 32 Cb 0.16 -3.39 -0.07 0.00 0.01 0.00 0.00 72.50 69.20 1ypy s THR 32 CO 0.81 0.12 1.33 -0.54 -0.69 0.00 0.00 174.62 175.65 1ypy s LYS 33 N -1.02 4.36 0.12 4.92 1.02 -1.26 -4.54 119.74 123.33 1ypy s LYS 33 Ca 0.55 2.00 -0.19 0.00 0.02 0.00 0.00 55.97 58.34 1ypy s LYS 33 Cb -0.41 -3.27 -0.07 0.00 -0.52 0.00 0.00 37.83 33.56 1ypy s LYS 33 CO 0.48 -0.37 0.61 0.00 -0.92 0.00 0.00 175.35 175.15 1ypy h ASP 35 N 4.13 0.17 -3.58 0.00 3.58 -1.90 -3.44 116.42 115.38 1ypy h ASP 35 Ca -0.49 -0.94 -0.67 0.00 0.42 0.00 0.00 57.03 55.35 1ypy h ASP 35 Cb 1.21 -0.05 -0.22 0.00 1.72 0.00 0.00 39.33 41.98 1ypy h ASP 35 CO 0.64 1.10 -0.72 -0.63 -2.88 0.00 0.00 179.24 176.76 1ypy s ILE 36 N -2.46 3.50 0.18 2.25 1.01 -0.70 -4.79 121.20 120.18 1ypy s ILE 36 Ca -0.17 -0.53 0.07 0.00 0.00 0.00 0.00 60.65 60.02 1ypy s ILE 36 Cb -0.01 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 1ypy s ILE 36 CO 0.74 0.56 0.01 -1.61 0.00 0.00 0.00 174.94 174.64 1ypy s GLU 37 N -0.31 2.42 -0.22 2.79 0.41 0.43 -4.41 118.70 119.81 1ypy s GLU 37 Ca 0.04 -1.11 -0.20 0.00 -0.41 0.00 0.00 54.97 53.29 1ypy s GLU 37 Cb -0.13 -2.36 -0.02 0.00 -1.78 0.00 0.00 34.13 29.84 1ypy s GLU 37 CO 0.02 0.45 0.59 0.42 -0.49 0.00 0.00 175.26 176.26 1ypy s ILE 38 N -1.76 5.03 0.00 -1.63 -1.09 -1.26 -1.54 121.20 118.95 1ypy s ILE 38 Ca 0.28 1.08 0.00 0.00 -2.23 0.00 0.00 60.65 59.78 1ypy s ILE 38 Cb -0.09 -3.91 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 1ypy s ILE 38 CO 0.19 0.09 0.00 0.61 -1.23 0.00 0.00 174.94 174.60 1ypy n GLY 39 N 4.01 1.33 3.84 6.18 0.00 0.24 -4.87 105.19 115.91 1ypy n GLY 39 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1ypy n GLY 39 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ypy s ASN 40 N -1.15 6.75 -0.29 1.61 0.01 -1.26 -4.96 114.94 115.65 1ypy s ASN 40 Ca 0.00 0.89 -0.01 0.00 -0.71 0.00 0.00 52.86 53.03 1ypy s ASN 40 Cb 0.00 -2.23 0.09 0.00 0.41 0.00 0.00 41.25 39.52 1ypy s ASN 40 CO 0.00 0.32 0.08 0.12 -1.51 0.00 0.00 177.10 176.11 1ypy s PHE 41 N -1.00 1.79 0.19 2.20 5.36 -1.26 0.43 117.98 125.68 1ypy s PHE 41 Ca 0.23 -1.69 -0.10 0.00 -0.96 0.00 0.00 56.93 54.40 1ypy s PHE 41 Cb -0.16 -1.68 -0.01 0.00 -0.34 0.00 0.00 43.02 40.83 1ypy s PHE 41 CO 0.12 -0.84 0.34 1.52 -1.46 0.00 0.00 175.22 174.90 1ypy s TYR 42 N 1.59 0.39 -0.12 10.12 -0.85 -0.55 -4.99 117.35 122.93 1ypy s TYR 42 Ca 0.07 -0.74 0.01 0.00 -0.52 0.00 0.00 57.07 55.89 1ypy s TYR 42 Cb -0.17 0.01 -0.01 0.00 0.38 0.00 0.00 41.96 42.17 1ypy s TYR 42 CO -0.21 -0.80 -0.16 0.42 -1.52 0.00 0.00 175.55 173.29 1ypy s ILE 43 N -3.98 2.76 0.09 -3.49 1.01 -1.26 -1.36 121.20 114.98 1ypy s ILE 43 Ca 0.19 -0.76 -0.26 0.00 0.00 0.00 0.00 60.65 59.81 1ypy s ILE 43 Cb 0.02 -2.14 -0.15 0.00 0.01 0.00 0.00 42.46 40.21 1ypy s ILE 43 CO 0.03 0.53 1.69 0.03 0.00 0.00 0.00 174.94 177.22 1ypy h ARG 44 N 6.76 -0.33 -3.37 2.79 3.08 -0.79 -3.25 114.38 119.27 1ypy h ARG 44 Ca -0.24 0.02 -0.72 0.00 0.07 0.00 0.00 59.98 59.11 1ypy h ARG 44 Cb 1.22 0.07 -0.34 0.00 0.08 0.00 0.00 29.97 31.00 1ypy h ARG 44 CO 0.53 -0.22 -0.05 -1.14 -1.07 0.00 0.00 179.97 178.03 1ypy s GLN 45 N -6.14 3.34 -0.56 0.04 0.74 0.43 -5.02 119.66 112.49 1ypy s GLN 45 Ca -0.15 -3.21 -0.20 0.00 0.05 0.00 0.00 55.36 51.85 1ypy s GLN 45 Cb 0.06 -4.02 0.07 0.00 1.10 0.00 0.00 33.01 30.22 1ypy s GLN 45 CO 0.65 -1.26 0.74 1.21 -0.55 0.00 0.00 175.29 176.09 1ypy s ASN 46 N 0.11 6.22 -0.74 6.67 3.84 -1.23 -2.22 114.94 127.60 1ypy s ASN 46 Ca 0.27 -0.99 0.04 0.00 0.21 0.00 0.00 52.86 52.39 1ypy s ASN 46 Cb -0.08 -2.33 0.28 0.00 -0.55 0.00 0.00 41.25 38.56 1ypy s ASN 46 CO -0.11 -1.09 0.96 1.41 -2.79 0.00 0.00 177.10 175.48 1ypy n HIS 47 N 6.64 3.39 0.00 0.43 8.25 -0.51 -4.75 115.22 128.68 1ypy n HIS 47 Ca -0.06 -3.76 0.00 0.00 -0.26 0.00 0.00 57.72 53.64 1ypy n HIS 47 Cb 0.45 -0.71 0.00 0.00 1.12 0.00 0.00 29.99 30.85 1ypy n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ypy n GLY 48 N 0.77 1.63 3.26 -1.41 0.00 -1.26 -0.84 105.19 107.35 1ypy n GLY 48 Ca 0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 1ypy n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ypy s ASN 50 N 0.58 5.36 0.01 0.00 0.01 0.70 -4.94 114.94 116.67 1ypy s ASN 50 Ca -0.10 -0.09 0.03 0.00 -0.71 0.00 0.00 52.86 51.99 1ypy s ASN 50 Cb -0.16 -1.95 -0.04 0.00 0.41 0.00 0.00 41.25 39.52 1ypy s ASN 50 CO 0.03 0.05 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.87 1ypy s LEU 51 N 1.14 3.30 0.12 0.60 1.43 -1.26 -1.08 118.68 122.94 1ypy s LEU 51 Ca 0.05 -0.11 -0.05 0.00 -1.03 0.00 0.00 54.13 52.98 1ypy s LEU 51 Cb -0.14 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1ypy s LEU 51 CO 0.03 0.27 0.15 0.42 0.23 0.00 0.00 176.35 177.45 1ypy s THR 52 N -1.05 0.12 -0.06 5.49 -4.23 -0.75 -4.99 115.64 110.16 1ypy s THR 52 Ca 0.19 -1.56 0.04 0.00 -1.18 0.00 0.00 61.69 59.17 1ypy s THR 52 Cb -0.11 -1.74 0.00 0.00 1.34 0.00 0.00 72.50 71.99 1ypy s THR 52 CO 0.09 -0.53 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.78 1ypy s VAL 53 N -3.96 1.46 -0.19 2.29 1.01 -1.26 -0.87 120.40 118.88 1ypy s VAL 53 Ca 0.15 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1ypy s VAL 53 Cb 0.06 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 35.19 1ypy s VAL 53 CO -0.03 0.42 -0.16 -0.75 0.00 0.00 0.00 175.10 174.58 1ypy s LYS 54 N 0.26 2.58 -0.04 2.72 2.20 -0.32 -4.93 119.74 122.21 1ypy s LYS 54 Ca -0.09 -0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 54.38 1ypy s LYS 54 Cb -0.14 -2.49 -0.02 0.00 -1.51 0.00 0.00 37.83 33.67 1ypy s LYS 54 CO 0.04 -0.30 0.96 -0.80 -0.36 0.00 0.00 175.35 174.88 1ypy s ASN 55 N 1.32 7.28 -0.40 1.43 0.01 -1.26 -0.83 114.94 122.49 1ypy s ASN 55 Ca 0.02 1.56 0.10 0.00 -0.71 0.00 0.00 52.86 53.83 1ypy s ASN 55 Cb -0.14 -2.55 0.33 0.00 0.41 0.00 0.00 41.25 39.30 1ypy s ASN 55 CO -0.11 -0.31 0.83 0.80 -1.51 0.00 0.00 177.10 176.81 1ypy n MET 56 N 4.26 0.96 -2.03 -0.60 1.56 -0.47 -4.29 117.12 116.52 1ypy n MET 56 Ca 0.06 -2.91 -0.30 0.00 -0.27 0.00 0.00 57.70 54.28 1ypy n MET 56 Cb 0.50 -1.48 0.01 0.00 2.15 0.00 0.00 33.22 34.40 1ypy n MET 56 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1ypy s SER 58 N -4.16 0.14 -0.05 0.00 1.04 -1.19 -2.84 113.70 106.63 1ypy s SER 58 Ca 0.53 -1.12 0.07 0.00 0.48 0.00 0.00 55.95 55.92 1ypy s SER 58 Cb -0.11 0.78 -0.24 0.00 0.10 0.00 0.00 66.02 66.55 1ypy s SER 58 CO 0.52 -1.53 0.63 0.00 0.98 0.00 0.00 173.24 173.84 1ypy h ALA 59 N 2.04 0.65 -2.24 5.32 0.00 -1.85 -3.46 119.26 119.72 1ypy h ALA 59 Ca -0.29 -1.41 -0.69 0.00 0.00 0.00 0.00 54.91 52.52 1ypy h ALA 59 Cb 1.25 0.51 -0.19 0.00 0.00 0.00 0.00 17.79 19.36 1ypy h ALA 59 CO 0.37 1.48 -0.10 0.34 0.00 0.00 0.00 179.25 181.35 1ypy s ASP 60 N -6.39 6.21 0.25 0.00 -1.08 -1.26 -4.95 116.67 109.45 1ypy s ASP 60 Ca -0.09 -0.83 -0.04 0.00 -0.52 0.00 0.00 52.55 51.07 1ypy s ASP 60 Cb 0.08 -2.25 0.30 0.00 -1.46 0.00 0.00 42.92 39.58 1ypy s ASP 60 CO 0.81 -0.73 1.82 0.00 0.52 0.00 0.00 175.17 177.60 1ypy h ALA 61 N 8.85 1.16 -0.50 3.66 0.00 -1.97 -2.43 119.26 128.03 1ypy h ALA 61 Ca -0.27 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1ypy h ALA 61 Cb 1.10 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1ypy h ALA 61 CO 0.88 0.60 0.06 -0.44 0.00 0.00 0.00 179.25 180.35 1ypy h ASP 62 N 1.01 0.76 -0.39 0.00 3.32 -2.00 -1.20 116.42 117.93 1ypy h ASP 62 Ca 0.23 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 1ypy h ASP 62 Cb 0.21 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1ypy h ASP 62 CO -0.02 0.80 -0.10 0.00 -1.72 0.00 0.00 179.24 178.20 1ypy h ALA 63 N 1.30 0.96 -0.09 3.45 0.00 -1.88 -2.21 119.26 120.78 1ypy h ALA 63 Ca 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ypy h ALA 63 Cb 0.38 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ypy h ALA 63 CO 0.01 0.61 0.06 1.96 0.00 0.00 0.00 179.25 181.89 1ypy h GLN 64 N 0.75 0.11 -0.94 0.00 4.20 -0.89 -0.95 115.11 117.41 1ypy h GLN 64 Ca 0.13 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.84 1ypy h GLN 64 Cb 0.59 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.30 1ypy h GLN 64 CO 0.04 0.08 0.62 1.25 -0.67 0.00 0.00 178.83 180.14 1ypy h LEU 65 N 0.12 1.07 -0.88 1.46 5.85 -1.15 0.22 115.31 122.00 1ypy h LEU 65 Ca 0.03 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 1ypy h LEU 65 Cb -0.01 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1ypy h LEU 65 CO -0.01 0.77 -0.10 0.44 -0.34 0.00 0.00 178.44 179.20 1ypy h ASP 66 N 1.26 0.71 -0.29 1.25 3.32 -1.12 -0.97 116.42 120.57 1ypy h ASP 66 Ca 0.35 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 1ypy h ASP 66 Cb -0.13 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 1ypy h ASP 66 CO -0.08 0.84 -0.16 0.00 -1.72 0.00 0.00 179.24 178.12 1ypy h ALA 67 N 1.23 0.41 -0.20 3.45 0.00 -0.35 -1.01 119.26 122.78 1ypy h ALA 67 Ca 0.12 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1ypy h ALA 67 Cb 0.56 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1ypy h ALA 67 CO 0.03 0.31 0.01 0.28 0.00 0.00 0.00 179.25 179.89 1ypy h VAL 68 N 0.36 1.25 -0.44 0.00 2.07 -0.86 -1.24 116.25 117.39 1ypy h VAL 68 Ca 0.06 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1ypy h VAL 68 Cb 0.69 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 1ypy h VAL 68 CO 0.05 0.26 0.21 -0.07 0.02 0.00 0.00 177.57 178.03 1ypy h LEU 69 N 0.13 0.57 -0.57 2.57 3.38 -1.18 -0.93 115.31 119.27 1ypy h LEU 69 Ca 0.06 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1ypy h LEU 69 Cb 0.37 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1ypy h LEU 69 CO 0.01 0.54 0.34 -1.28 0.09 0.00 0.00 178.44 178.14 1ypy h SER 70 N 0.57 0.55 -0.55 -0.43 0.87 -1.13 -0.42 113.55 113.00 1ypy h SER 70 Ca 0.15 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1ypy h SER 70 Cb 0.12 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 1ypy h SER 70 CO -0.02 0.38 0.36 0.00 -0.53 0.00 0.00 176.83 177.02 1ypy h ALA 71 N 1.26 0.70 -0.45 6.23 0.00 -0.83 -0.91 119.26 125.26 1ypy h ALA 71 Ca 0.23 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1ypy h ALA 71 Cb 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1ypy h ALA 71 CO -0.11 0.12 0.10 0.00 0.00 0.00 0.00 179.25 179.36 1ypy h ALA 72 N 1.21 0.59 0.08 0.00 0.00 -0.72 -1.87 119.26 118.56 1ypy h ALA 72 Ca 0.21 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ypy h ALA 72 Cb -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1ypy h ALA 72 CO -0.06 0.29 -0.13 1.15 0.00 0.00 0.00 179.25 180.50 1ypy h THR 73 N 0.60 0.70 -0.45 0.00 2.02 -0.77 -0.55 112.91 114.45 1ypy h THR 73 Ca 0.14 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.37 1ypy h THR 73 Cb 0.34 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1ypy h THR 73 CO 0.00 0.00 0.20 -0.33 0.37 0.00 0.00 175.52 175.76 1ypy h GLU 74 N -0.26 0.39 -0.39 6.66 5.08 -1.11 -0.69 114.58 124.26 1ypy h GLU 74 Ca 0.02 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1ypy h GLU 74 Cb 0.27 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1ypy h GLU 74 CO -0.07 0.26 0.17 1.15 -1.00 0.00 0.00 179.01 179.52 1ypy h THR 75 N 0.40 1.19 0.04 1.13 2.02 -1.11 -1.85 112.91 114.73 1ypy h THR 75 Ca 0.21 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 1ypy h THR 75 Cb 0.15 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1ypy h THR 75 CO -0.17 0.20 -0.02 0.22 0.37 0.00 0.00 175.52 176.12 1ypy h TYR 76 N 0.49 -0.06 -0.31 3.16 3.20 -0.82 -2.56 116.97 120.06 1ypy h TYR 76 Ca 0.13 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.09 1ypy h TYR 76 Cb 0.16 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1ypy h TYR 76 CO -0.01 0.04 0.23 0.77 -1.64 0.00 0.00 178.16 177.55 1ypy h SER 77 N -0.13 0.00 0.85 -2.11 0.02 -1.04 -0.90 113.55 110.23 1ypy h SER 77 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1ypy h SER 77 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1ypy h SER 77 CO 0.01 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 1ypy n GLY 78 N -1.60 -1.37 3.81 -3.77 0.00 -0.70 -4.85 105.19 96.70 1ypy n GLY 78 Ca 0.05 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 1ypy n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ypy s LEU 79 N -2.93 3.22 0.61 0.99 1.43 -0.35 -5.04 118.68 116.60 1ypy s LEU 79 Ca 0.15 1.68 -0.11 0.00 -1.03 0.00 0.00 54.13 54.83 1ypy s LEU 79 Cb 0.17 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.85 1ypy s LEU 79 CO 0.47 -1.42 1.01 0.42 0.23 0.00 0.00 176.35 177.06 1ypy s THR 80 N -2.88 4.72 0.29 5.49 -4.23 -1.26 -4.83 115.64 112.94 1ypy s THR 80 Ca 0.60 0.83 0.02 0.00 -1.18 0.00 0.00 61.69 61.96 1ypy s THR 80 Cb -0.15 -3.87 0.29 0.00 1.34 0.00 0.00 72.50 70.11 1ypy s THR 80 CO 0.50 -1.13 1.84 -0.65 -0.54 0.00 0.00 174.62 174.65 1ypy h PRO 81 N -0.28 0.92 -0.43 3.99 0.11 -1.97 0.16 132.00 134.50 1ypy h PRO 81 Ca -0.44 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.62 1ypy h PRO 81 Cb 1.19 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1ypy h PRO 81 CO 0.62 0.61 0.27 1.49 -0.21 0.00 0.00 178.00 180.78 1ypy h GLU 82 N 0.95 0.54 -0.53 1.05 4.81 -2.00 -0.96 114.58 118.44 1ypy h GLU 82 Ca 0.50 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.62 1ypy h GLU 82 Cb 0.53 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1ypy h GLU 82 CO -0.26 0.36 0.06 1.96 -0.73 0.00 0.00 179.01 180.39 1ypy h GLN 83 N 0.56 0.89 -0.25 1.92 4.20 -1.65 -2.80 115.11 117.98 1ypy h GLN 83 Ca 0.16 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1ypy h GLN 83 Cb -0.04 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1ypy h GLN 83 CO -0.05 0.88 0.13 0.87 -0.67 0.00 0.00 178.83 179.99 1ypy h LYS 84 N 0.77 0.33 -0.08 1.46 1.57 -0.55 -2.51 116.57 117.57 1ypy h LYS 84 Ca 0.16 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1ypy h LYS 84 Cb 0.44 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1ypy h LYS 84 CO 0.02 0.25 0.11 0.00 -0.57 0.00 0.00 179.45 179.26 1ypy h ALA 85 N 1.81 1.53 0.00 3.86 0.00 -0.90 -0.84 119.26 124.71 1ypy h ALA 85 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ypy h ALA 85 Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ypy h ALA 85 CO -0.01 -0.15 -0.37 1.88 0.00 0.00 0.00 179.25 180.59 1ypy h TYR 86 N 0.00 0.00 -0.29 0.00 -1.99 -1.56 -3.38 116.97 109.75 1ypy h TYR 86 Ca 0.04 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.66 1ypy h TYR 86 Cb 0.26 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.99 1ypy h TYR 86 CO 0.00 0.00 -0.24 0.28 -0.00 0.00 0.00 178.16 178.20 1ypy h VAL 87 N 0.00 1.30 -0.93 -2.88 2.07 -1.26 -3.24 116.25 111.30 1ypy h VAL 87 Ca 0.00 -1.40 0.13 0.00 0.82 0.00 0.00 66.70 66.26 1ypy h VAL 87 Cb 0.85 1.55 -0.08 0.00 -1.52 0.00 0.00 31.29 32.09 1ypy h VAL 87 CO 0.00 0.45 0.59 -0.65 0.02 0.00 0.00 177.57 177.98 1ypy h PRO 88 N 0.43 0.79 -0.27 1.57 0.11 -1.75 0.44 132.00 133.31 1ypy h PRO 88 Ca 0.05 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.08 1ypy h PRO 88 Cb 0.80 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 1ypy h PRO 88 CO 0.06 0.52 0.00 0.00 -0.21 0.00 0.00 178.00 178.37 1ypy h ALA 89 N 1.58 1.50 -0.43 -0.75 0.00 -1.83 -1.99 119.26 117.34 1ypy h ALA 89 Ca 0.47 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 1ypy h ALA 89 Cb 0.62 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1ypy h ALA 89 CO -0.23 0.36 0.00 0.52 0.00 0.00 0.00 179.25 179.90 1ypy h MET 90 N 0.40 0.76 -0.66 0.00 2.86 -0.97 -2.41 114.93 114.90 1ypy h MET 90 Ca 0.09 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.44 1ypy h MET 90 Cb 0.26 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 1ypy h MET 90 CO 0.01 0.83 0.23 0.74 1.06 0.00 0.00 176.91 179.78 1ypy h PHE 91 N 0.60 1.04 -0.16 -0.22 -1.00 -0.75 -0.38 116.94 116.07 1ypy h PHE 91 Ca 0.12 -0.09 -0.17 0.00 2.81 0.00 0.00 57.97 60.63 1ypy h PHE 91 Cb 0.49 -0.31 0.01 0.00 3.61 0.00 0.00 35.95 39.75 1ypy h PHE 91 CO 0.04 0.83 -0.58 0.00 -1.61 0.00 0.00 178.31 176.99 1ypy h THR 92 N 0.95 1.32 -0.06 -1.55 1.03 -0.68 -1.29 112.91 112.63 1ypy h THR 92 Ca 0.22 -1.82 -0.19 0.00 -0.01 0.00 0.00 66.41 64.61 1ypy h THR 92 Cb 0.26 1.98 -0.01 0.00 -1.07 0.00 0.00 68.15 69.32 1ypy h THR 92 CO -0.01 0.57 -0.76 0.00 -0.01 0.00 0.00 175.52 175.31 1ypy h ALA 93 N 0.55 0.59 0.07 0.00 0.00 -1.40 -2.40 119.26 116.66 1ypy h ALA 93 Ca -0.03 -0.63 -0.36 0.00 0.00 0.00 0.00 54.91 53.89 1ypy h ALA 93 Cb 1.21 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1ypy h ALA 93 CO 0.12 0.79 -2.13 0.00 0.00 0.00 0.00 179.25 178.03 1ypy n ALA 94 N -2.50 1.15 0.04 0.00 0.00 -0.16 -4.64 120.51 114.41 1ypy n ALA 94 Ca -0.04 -0.80 0.01 0.00 0.00 0.00 0.00 53.44 52.60 1ypy n ALA 94 Cb 0.72 -0.50 0.01 0.00 0.00 0.00 0.00 19.45 19.68 1ypy n ALA 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ypy n LEU 95 N -3.32 1.38 -3.69 0.00 4.77 -0.57 -4.95 117.00 110.61 1ypy n LEU 95 Ca -0.34 -1.25 -0.25 0.00 -0.03 0.00 0.00 56.01 54.14 1ypy n LEU 95 Cb 1.04 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 42.18 1ypy n LEU 95 CO 0.38 0.33 0.16 -3.20 -1.33 0.00 0.00 177.39 173.74 1ypy n ASN 96 N -0.02 -4.99 -4.31 -1.43 5.15 -0.70 -4.97 115.26 103.99 1ypy n ASN 96 Ca 0.01 -0.65 -0.33 0.00 -0.60 0.00 0.00 54.58 53.01 1ypy n ASN 96 Cb 0.10 -4.59 -0.15 0.00 -0.53 0.00 0.00 39.78 34.61 1ypy n ASN 96 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1ypy s ILE 97 N -3.35 2.73 -0.37 -1.44 1.01 -0.80 -4.94 121.20 114.04 1ypy s ILE 97 Ca 0.50 -0.77 -0.12 0.00 0.00 0.00 0.00 60.65 60.27 1ypy s ILE 97 Cb -0.23 -2.13 0.02 0.00 0.01 0.00 0.00 42.46 40.12 1ypy s ILE 97 CO 0.77 0.53 0.22 -1.10 0.00 0.00 0.00 174.94 175.36 1ypy s GLN 98 N 0.48 3.01 0.28 2.79 1.11 -1.26 -1.91 119.66 124.16 1ypy s GLN 98 Ca -0.11 -0.96 0.03 0.00 0.01 0.00 0.00 55.36 54.32 1ypy s GLN 98 Cb -0.16 -3.77 -0.04 0.00 -1.01 0.00 0.00 33.01 28.03 1ypy s GLN 98 CO 0.05 -0.64 0.17 -0.08 0.01 0.00 0.00 175.29 174.79 1ypy s THR 99 N 1.61 0.22 0.31 -0.19 -1.32 -1.26 -5.08 115.64 109.92 1ypy s THR 99 Ca 0.04 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.56 1ypy s THR 99 Cb -0.19 -2.52 -0.06 0.00 -1.51 0.00 0.00 72.50 68.23 1ypy s THR 99 CO 0.08 0.00 0.03 -0.94 -2.21 0.00 0.00 174.62 171.58 1ypy s SER 100 N -3.32 2.46 0.45 8.08 1.04 -1.26 -4.74 113.70 116.40 1ypy s SER 100 Ca 0.37 -1.33 0.16 0.00 0.48 0.00 0.00 55.95 55.64 1ypy s SER 100 Cb 0.05 -0.10 1.09 0.00 0.10 0.00 0.00 66.02 67.16 1ypy s SER 100 CO 0.17 -0.54 1.98 -0.37 0.98 0.00 0.00 173.24 175.46 1ypy h VAL 101 N 2.17 0.86 0.00 5.02 -1.51 -1.95 -1.67 116.25 119.17 1ypy h VAL 101 Ca -0.40 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 1ypy h VAL 101 Cb 1.24 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 1ypy h VAL 101 CO 0.69 0.06 0.00 0.59 -1.23 0.00 0.00 177.57 177.68 1ypy n ASN 102 N -4.46 0.53 -0.06 4.19 3.02 -1.26 -3.78 115.26 113.44 1ypy n ASN 102 Ca 0.10 0.56 0.01 0.00 -0.03 0.00 0.00 54.58 55.22 1ypy n ASN 102 Cb 0.42 -0.70 0.01 0.00 -0.61 0.00 0.00 39.78 38.91 1ypy n ASN 102 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1ypy n THR 103 N -2.01 0.66 -0.15 3.41 -2.24 -0.66 -4.76 114.28 108.53 1ypy n THR 103 Ca 0.06 -0.83 -0.02 0.00 -2.27 0.00 0.00 64.05 60.98 1ypy n THR 103 Cb 0.38 0.68 0.06 0.00 -2.10 0.00 0.00 70.33 69.35 1ypy n THR 103 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1ypy h VAL 104 N 0.23 0.71 0.39 2.28 2.07 -1.55 -0.06 116.25 120.32 1ypy h VAL 104 Ca 0.00 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1ypy h VAL 104 Cb 0.36 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1ypy h VAL 104 CO 0.00 0.04 -0.19 0.58 0.02 0.00 0.00 177.57 178.02 1ypy h VAL 105 N 0.22 0.62 -0.57 2.57 2.07 -1.86 0.17 116.25 119.48 1ypy h VAL 105 Ca 0.24 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.70 1ypy h VAL 105 Cb 0.33 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1ypy h VAL 105 CO -0.33 0.02 0.36 -0.09 0.02 0.00 0.00 177.57 177.55 1ypy h ARG 106 N -0.56 0.72 -0.19 1.57 2.43 -1.85 -1.37 114.38 115.11 1ypy h ARG 106 Ca -0.05 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.99 1ypy h ARG 106 Cb 0.42 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1ypy h ARG 106 CO 0.09 0.47 -0.27 -0.44 -1.51 0.00 0.00 179.97 178.31 1ypy h ASP 107 N 0.74 0.36 -0.19 -3.80 3.32 -0.90 -1.76 116.42 114.20 1ypy h ASP 107 Ca 0.21 -0.12 -0.16 0.00 0.02 0.00 0.00 57.03 56.99 1ypy h ASP 107 Cb -0.05 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1ypy h ASP 107 CO -0.06 0.63 -0.50 0.15 -1.72 0.00 0.00 179.24 177.74 1ypy h PHE 108 N 0.32 0.86 -0.59 4.55 3.57 -0.64 -1.61 116.94 123.41 1ypy h PHE 108 Ca 0.05 -0.34 0.03 0.00 3.53 0.00 0.00 57.97 61.25 1ypy h PHE 108 Cb 0.65 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 1ypy h PHE 108 CO 0.02 1.12 0.35 0.93 -2.23 0.00 0.00 178.31 178.49 1ypy h GLU 109 N 0.36 0.65 -0.53 1.11 5.08 -1.06 -0.84 114.58 119.35 1ypy h GLU 109 Ca -0.01 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1ypy h GLU 109 Cb 1.11 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1ypy h GLU 109 CO 0.11 0.43 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.60 1ypy h ASN 110 N 0.67 0.91 -0.39 1.42 2.35 -1.27 -0.92 115.58 118.35 1ypy h ASN 110 Ca 0.24 -0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 1ypy h ASN 110 Cb 0.07 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1ypy h ASN 110 CO -0.12 1.00 0.13 0.22 -1.65 0.00 0.00 177.43 177.01 1ypy h TYR 111 N 0.85 0.61 -0.67 1.19 3.20 -0.76 -0.74 116.97 120.65 1ypy h TYR 111 Ca 0.15 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 1ypy h TYR 111 Cb 0.56 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 1ypy h TYR 111 CO 0.03 0.57 0.24 0.28 -1.64 0.00 0.00 178.16 177.64 1ypy h VAL 112 N 0.48 1.25 -0.04 1.81 2.07 -1.01 0.19 116.25 121.00 1ypy h VAL 112 Ca 0.13 -0.82 -0.14 0.00 0.82 0.00 0.00 66.70 66.69 1ypy h VAL 112 Cb 0.23 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1ypy h VAL 112 CO -0.01 0.32 -0.60 0.11 0.02 0.00 0.00 177.57 177.42 1ypy h LYS 113 N 0.96 0.14 0.00 1.57 6.56 -0.96 0.31 116.57 125.15 1ypy h LYS 113 Ca 0.22 -0.09 -0.17 0.00 -1.06 0.00 0.00 60.65 59.55 1ypy h LYS 113 Cb 0.26 0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 31.90 1ypy h LYS 113 CO -0.01 0.69 -0.90 1.96 -2.06 0.00 0.00 179.45 179.13 1ypy h GLN 114 N 0.10 0.00 0.02 3.15 4.20 -0.90 -3.24 115.11 118.45 1ypy h GLN 114 Ca -0.01 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 58.31 1ypy h GLN 114 Cb 1.08 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.80 1ypy h GLN 114 CO 0.09 0.66 -2.27 2.41 -0.67 0.00 0.00 178.83 179.04 1ypy n THR 115 N -3.21 1.55 1.20 -0.54 -1.04 0.66 -4.54 114.28 108.36 1ypy n THR 115 Ca -0.02 -0.45 0.13 0.00 -2.04 0.00 0.00 64.05 61.68 1ypy n THR 115 Cb 0.85 -1.71 0.46 0.00 -1.82 0.00 0.00 70.33 68.11 1ypy n THR 115 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ypy n ASN 117 N -1.12 3.05 -3.54 0.00 4.13 -1.22 -4.69 115.26 111.88 1ypy n ASN 117 Ca 0.10 -3.31 0.00 0.00 1.68 0.00 0.00 54.58 53.05 1ypy n ASN 117 Cb 0.32 -0.65 -0.03 0.00 -1.54 0.00 0.00 39.78 37.87 1ypy n ASN 117 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1ypy s SER 118 N -2.33 -1.18 0.61 6.41 0.01 -1.26 -4.69 113.70 111.28 1ypy s SER 118 Ca 0.40 1.41 0.26 0.00 1.31 0.00 0.00 55.95 59.34 1ypy s SER 118 Cb 0.17 2.26 1.44 0.00 0.21 0.00 0.00 66.02 70.10 1ypy s SER 118 CO -0.05 -0.22 1.80 0.28 0.41 0.00 0.00 173.24 175.46 1ypy h SER 119 N 7.99 0.00 0.00 2.44 0.02 -1.91 0.56 113.55 122.64 1ypy h SER 119 Ca -0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1ypy h SER 119 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1ypy h SER 119 CO 0.13 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.82 1ypy n ALA 120 N -1.83 2.07 0.03 3.77 0.00 -1.26 -2.94 120.51 120.35 1ypy n ALA 120 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1ypy n ALA 120 Cb 0.39 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1ypy n ALA 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ypy n VAL 121 N -0.04 0.17 0.71 0.00 0.31 0.19 -4.81 118.33 114.87 1ypy n VAL 121 Ca 0.00 0.06 0.13 0.00 -0.01 0.00 0.00 64.34 64.52 1ypy n VAL 121 Cb 0.12 -1.01 0.45 0.00 -0.91 0.00 0.00 33.84 32.48 1ypy n VAL 121 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1ypy n VAL 122 N -2.96 0.45 0.76 2.52 0.24 -1.15 -2.88 118.33 115.31 1ypy n VAL 122 Ca 0.00 -0.22 0.13 0.00 -2.04 0.00 0.00 64.34 62.21 1ypy n VAL 122 Cb 0.18 -0.55 0.40 0.00 -1.47 0.00 0.00 33.84 32.40 1ypy n VAL 122 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1ypy n ASP 123 N -2.08 0.54 -4.57 -1.34 8.00 -1.15 -4.79 116.55 111.17 1ypy n ASP 123 Ca 0.06 0.38 -0.39 0.00 0.71 0.00 0.00 54.79 55.55 1ypy n ASP 123 Cb 0.41 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1ypy n ASP 123 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1ypy s ASN 124 N -3.90 4.83 0.00 -2.24 3.84 -1.14 -4.79 114.94 111.54 1ypy s ASN 124 Ca 0.11 1.30 0.29 0.00 0.21 0.00 0.00 52.86 54.76 1ypy s ASN 124 Cb 0.15 -2.51 1.16 0.00 -0.55 0.00 0.00 41.25 39.50 1ypy s ASN 124 CO 0.62 -2.54 1.81 1.17 -2.79 0.00 0.00 177.10 175.36 1ypy n LYS 125 N 8.93 1.57 -1.76 0.43 3.00 -1.26 -4.88 118.16 124.19 1ypy n LYS 125 Ca 0.33 -0.84 -0.42 0.00 -0.00 0.00 0.00 58.31 57.38 1ypy n LYS 125 Cb 0.51 -1.48 -0.03 0.00 0.00 0.00 0.00 35.03 34.03 1ypy n LYS 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1ypy s LEU 126 N -2.00 3.99 0.00 3.14 1.02 -1.26 -4.86 118.68 118.71 1ypy s LEU 126 Ca 0.39 2.18 0.13 0.00 0.02 0.00 0.00 54.13 56.86 1ypy s LEU 126 Cb 0.21 -3.52 0.70 0.00 0.02 0.00 0.00 46.19 43.60 1ypy s LEU 126 CO 0.34 -1.39 1.46 0.29 0.02 0.00 0.00 176.35 177.08 1ypy n LYS 127 N 7.95 1.15 -3.58 1.70 4.76 -1.26 -4.56 118.16 124.31 1ypy n LYS 127 Ca 0.23 -0.22 -0.24 0.00 -2.87 0.00 0.00 58.31 55.21 1ypy n LYS 127 Cb 0.43 -1.22 -0.16 0.00 -1.84 0.00 0.00 35.03 32.24 1ypy n LYS 127 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1ypy s ILE 128 N -1.94 -0.15 -0.09 -0.18 1.01 -1.26 -0.43 121.20 118.16 1ypy s ILE 128 Ca 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.69 1ypy s ILE 128 Cb 0.10 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 1ypy s ILE 128 CO 0.16 -0.24 0.10 -1.10 0.00 0.00 0.00 174.94 173.86 1ypy s GLN 129 N 2.19 3.26 -0.13 2.79 -0.21 -0.59 -4.76 119.66 122.21 1ypy s GLN 129 Ca 0.03 -0.26 -0.04 0.00 0.02 0.00 0.00 55.36 55.11 1ypy s GLN 129 Cb -0.16 -3.03 -0.03 0.00 1.00 0.00 0.00 33.01 30.79 1ypy s GLN 129 CO -0.10 0.74 0.02 -0.80 -2.12 0.00 0.00 175.29 173.03 1ypy s ASN 130 N -1.12 5.33 -0.33 5.90 0.01 -1.26 0.80 114.94 124.27 1ypy s ASN 130 Ca 0.16 0.08 -0.04 0.00 -0.71 0.00 0.00 52.86 52.35 1ypy s ASN 130 Cb -0.12 -1.73 0.05 0.00 0.41 0.00 0.00 41.25 39.86 1ypy s ASN 130 CO 0.05 0.27 0.07 -0.69 -1.51 0.00 0.00 177.10 175.29 1ypy s VAL 131 N -0.23 3.43 -0.18 1.60 1.01 0.17 -4.94 120.40 121.25 1ypy s VAL 131 Ca 0.06 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1ypy s VAL 131 Cb -0.12 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 33.29 1ypy s VAL 131 CO 0.02 -0.18 -0.17 -0.63 0.00 0.00 0.00 175.10 174.14 1ypy s ILE 132 N 1.32 2.37 0.07 2.22 1.01 -1.26 -1.48 121.20 125.45 1ypy s ILE 132 Ca -0.03 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 59.84 1ypy s ILE 132 Cb -0.20 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1ypy s ILE 132 CO 0.01 0.52 -0.10 -0.63 0.00 0.00 0.00 174.94 174.73 1ypy s ILE 133 N 1.22 3.35 -0.00 2.92 -1.09 -0.46 -5.01 121.20 122.12 1ypy s ILE 133 Ca 0.03 -1.15 -0.20 0.00 -2.23 0.00 0.00 60.65 57.10 1ypy s ILE 133 Cb -0.14 -2.52 -0.25 0.00 -1.58 0.00 0.00 42.46 37.97 1ypy s ILE 133 CO -0.09 0.21 1.07 -2.24 -1.23 0.00 0.00 174.94 172.66 1ypy h ASP 134 N 3.94 0.53 -5.03 3.58 2.03 -1.94 0.11 116.42 119.64 1ypy h ASP 134 Ca -0.49 -0.79 -0.11 0.00 -0.73 0.00 0.00 57.03 54.91 1ypy h ASP 134 Cb 1.16 -0.16 -0.18 0.00 -0.83 0.00 0.00 39.33 39.32 1ypy h ASP 134 CO 0.52 1.26 -0.35 -1.61 -1.03 0.00 0.00 179.24 178.02 1ypy s GLU 135 N -3.09 0.67 -0.07 4.15 2.02 -1.26 -0.43 118.70 120.69 1ypy s GLU 135 Ca -0.13 -0.46 -0.27 0.00 0.02 0.00 0.00 54.97 54.13 1ypy s GLU 135 Cb 0.03 0.29 0.06 0.00 0.10 0.00 0.00 34.13 34.61 1ypy s GLU 135 CO 0.83 -0.19 0.60 0.00 0.02 0.00 0.00 175.26 176.52 1ypy s TYR 137 N -0.99 1.02 -0.14 0.00 5.04 -1.26 -1.42 117.35 119.59 1ypy s TYR 137 Ca -0.10 -0.39 -0.29 0.00 -2.44 0.00 0.00 57.07 53.85 1ypy s TYR 137 Cb -0.02 -0.60 0.08 0.00 0.35 0.00 0.00 41.96 41.78 1ypy s TYR 137 CO 0.08 0.01 0.76 0.20 -1.34 0.00 0.00 175.55 175.25 1ypy s GLY 138 N -1.30 -0.50 0.32 8.97 0.00 -0.02 -4.57 107.32 110.23 1ypy s GLY 138 Ca -0.02 1.71 -0.28 0.00 0.00 0.00 0.00 44.72 46.13 1ypy s GLY 138 CO 0.01 1.25 1.14 0.00 0.00 0.00 0.00 173.10 175.50 1ypy s ALA 139 N -0.64 3.34 0.34 3.20 0.00 -1.24 -4.11 121.76 122.63 1ypy s ALA 139 Ca -0.06 0.95 0.07 0.00 0.00 0.00 0.00 51.96 52.92 1ypy s ALA 139 Cb -0.02 -3.36 0.75 0.00 0.00 0.00 0.00 23.12 20.49 1ypy s ALA 139 CO 0.05 -0.31 1.87 -1.00 0.00 0.00 0.00 175.76 176.37 1ypy h PRO 140 N 3.37 0.75 0.00 0.00 0.13 -1.92 -0.33 132.00 133.99 1ypy h PRO 140 Ca -0.48 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1ypy h PRO 140 Cb 1.22 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1ypy h PRO 140 CO 0.65 0.50 0.00 0.78 -0.23 0.00 0.00 178.00 179.70 1ypy h GLY 141 N 0.77 0.00 -5.68 1.56 0.00 -2.00 -3.36 103.07 94.36 1ypy h GLY 141 Ca 0.45 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 47.34 1ypy h GLY 141 CO -0.21 0.00 -0.93 -1.14 0.00 0.00 0.00 176.54 174.26 1ypy n SER 142 N -2.41 -0.63 -4.68 0.19 3.41 -0.47 -5.13 113.62 103.89 1ypy n SER 142 Ca 0.05 -2.99 -0.37 0.00 -0.26 0.00 0.00 58.87 55.30 1ypy n SER 142 Cb 0.41 0.16 0.06 0.00 -0.26 0.00 0.00 64.21 64.58 1ypy n SER 142 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1ypy n PRO 143 N 1.15 1.04 -2.43 4.33 -0.04 -0.26 -3.70 135.00 135.09 1ypy n PRO 143 Ca 0.18 0.41 -0.42 0.00 -0.04 0.00 0.00 63.50 63.62 1ypy n PRO 143 Cb 0.59 -2.39 -0.03 0.00 -0.04 0.00 0.00 33.50 31.64 1ypy n PRO 143 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1ypy s THR 144 N -1.43 4.22 -0.35 0.52 2.01 0.10 -4.84 115.64 115.86 1ypy s THR 144 Ca 0.80 1.54 -0.15 0.00 0.31 0.00 0.00 61.69 64.19 1ypy s THR 144 Cb -0.39 -3.99 -0.01 0.00 0.01 0.00 0.00 72.50 68.12 1ypy s THR 144 CO 0.43 -0.04 0.34 0.20 -0.69 0.00 0.00 174.62 174.86 1ypy s ASN 145 N 1.65 6.15 -0.12 3.53 -0.87 -1.26 -0.21 114.94 123.81 1ypy s ASN 145 Ca 0.56 -0.35 0.03 0.00 -1.57 0.00 0.00 52.86 51.53 1ypy s ASN 145 Cb -0.24 -2.18 0.00 0.00 -0.02 0.00 0.00 41.25 38.81 1ypy s ASN 145 CO 0.20 -0.35 -0.22 -0.76 -2.57 0.00 0.00 177.10 173.40 1ypy s LEU 146 N 1.95 2.13 -0.17 0.60 1.43 -0.24 -4.94 118.68 119.44 1ypy s LEU 146 Ca 0.10 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1ypy s LEU 146 Cb -0.17 -1.44 -0.00 0.00 0.03 0.00 0.00 46.19 44.61 1ypy s LEU 146 CO 0.11 0.12 -0.12 -0.70 0.23 0.00 0.00 176.35 175.99 1ypy s GLU 147 N 0.58 3.28 -0.36 1.70 2.12 -1.26 -1.81 118.70 122.96 1ypy s GLU 147 Ca -0.13 -0.70 -0.20 0.00 0.36 0.00 0.00 54.97 54.30 1ypy s GLU 147 Cb -0.17 -2.73 0.00 0.00 0.26 0.00 0.00 34.13 31.50 1ypy s GLU 147 CO 0.04 -0.01 0.63 0.12 -0.54 0.00 0.00 175.26 175.49 1ypy s PHE 148 N 0.92 3.15 -0.44 5.30 5.36 -0.05 -4.93 117.98 127.29 1ypy s PHE 148 Ca -0.03 0.31 -0.24 0.00 -0.96 0.00 0.00 56.93 56.02 1ypy s PHE 148 Cb -0.15 -3.13 0.02 0.00 -0.34 0.00 0.00 43.02 39.42 1ypy s PHE 148 CO -0.01 -0.63 0.84 0.42 -1.46 0.00 0.00 175.22 174.38 1ypy s ILE 149 N 2.69 4.59 -0.33 3.12 1.01 -1.26 -1.18 121.20 129.84 1ypy s ILE 149 Ca 0.24 0.62 -0.28 0.00 0.00 0.00 0.00 60.65 61.23 1ypy s ILE 149 Cb -0.15 -4.35 0.02 0.00 0.01 0.00 0.00 42.46 37.99 1ypy s ILE 149 CO 0.15 -0.72 1.04 0.21 0.00 0.00 0.00 174.94 175.62 1ypy s ASN 150 N 2.14 6.87 0.28 3.58 2.47 -0.01 -4.89 114.94 125.38 1ypy s ASN 150 Ca 0.33 0.95 0.24 0.00 0.42 0.00 0.00 52.86 54.80 1ypy s ASN 150 Cb -0.11 -2.52 0.50 0.00 -1.45 0.00 0.00 41.25 37.66 1ypy s ASN 150 CO 0.23 -0.87 1.58 0.71 -3.72 0.00 0.00 177.10 175.03 1ypy h THR 151 N 5.75 0.00 0.00 -5.21 1.35 -1.87 -1.24 112.91 111.69 1ypy h THR 151 Ca -0.21 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1ypy h THR 151 Cb 1.06 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1ypy h THR 151 CO 1.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.90 1ypy n GLY 152 N 1.23 0.55 3.32 5.82 0.00 -1.26 -3.17 105.19 111.68 1ypy n GLY 152 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1ypy n GLY 152 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ypy s SER 153 N -2.32 2.62 0.20 1.61 1.04 -1.26 -1.73 113.70 113.86 1ypy s SER 153 Ca 0.00 -0.83 -0.07 0.00 0.48 0.00 0.00 55.95 55.53 1ypy s SER 153 Cb 0.00 -0.15 0.14 0.00 0.10 0.00 0.00 66.02 66.11 1ypy s SER 153 CO 0.00 -0.02 1.67 0.28 0.98 0.00 0.00 173.24 176.15 1ypy h SER 154 N 3.42 0.97 -0.10 7.02 0.02 -1.91 -1.46 113.55 121.50 1ypy h SER 154 Ca -0.43 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.25 1ypy h SER 154 Cb 1.20 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.48 1ypy h SER 154 CO 0.49 1.03 0.04 0.50 -1.14 0.00 0.00 176.83 177.75 1ypy h LYS 155 N 0.91 0.14 -0.57 3.45 3.64 -1.83 -1.41 116.57 120.90 1ypy h LYS 155 Ca 0.16 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 1ypy h LYS 155 Cb 0.55 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1ypy h LYS 155 CO 0.03 0.23 0.02 0.78 -2.27 0.00 0.00 179.45 178.24 1ypy h GLY 156 N 0.02 1.07 2.00 5.01 0.00 -1.80 -2.90 103.07 106.47 1ypy h GLY 156 Ca 0.03 -0.77 -0.05 0.00 0.00 0.00 0.00 47.33 46.54 1ypy h GLY 156 CO -0.00 0.71 -0.22 3.43 0.00 0.00 0.00 176.54 180.46 1ypy h ASN 157 N 0.88 0.00 -0.79 0.19 2.35 -1.19 -2.31 115.58 114.70 1ypy h ASN 157 Ca 0.16 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 1ypy h ASN 157 Cb 0.52 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.86 1ypy h ASN 157 CO 0.03 0.22 0.40 0.00 -1.65 0.00 0.00 177.43 176.42 1ypy h ALA 159 N 1.21 0.46 -0.47 0.00 0.00 -1.47 -1.87 119.26 117.12 1ypy h ALA 159 Ca 0.27 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1ypy h ALA 159 Cb 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ypy h ALA 159 CO -0.04 0.58 0.22 0.82 0.00 0.00 0.00 179.25 180.84 1ypy h ILE 160 N 0.59 1.19 -0.74 0.00 1.08 -0.98 -1.95 117.51 116.69 1ypy h ILE 160 Ca 0.03 -0.54 -0.04 0.00 -0.39 0.00 0.00 64.86 63.92 1ypy h ILE 160 Cb 1.02 0.68 -0.03 0.00 -3.07 0.00 0.00 36.82 35.41 1ypy h ILE 160 CO 0.10 0.21 0.31 0.50 -0.69 0.00 0.00 178.15 178.58 1ypy h LYS 161 N 0.62 1.09 -0.53 2.37 3.64 -0.16 -0.23 116.57 123.37 1ypy h LYS 161 Ca 0.16 -0.19 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1ypy h LYS 161 Cb 0.13 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 1ypy h LYS 161 CO -0.02 0.89 0.34 0.00 -2.27 0.00 0.00 179.45 178.38 1ypy h ALA 162 N 1.15 0.68 -0.55 5.00 0.00 -1.13 0.17 119.26 124.58 1ypy h ALA 162 Ca 0.25 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1ypy h ALA 162 Cb 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ypy h ALA 162 CO -0.02 0.07 0.10 -0.07 0.00 0.00 0.00 179.25 179.33 1ypy h LEU 163 N 0.68 0.82 -0.85 0.00 3.38 -0.91 -1.28 115.31 117.16 1ypy h LEU 163 Ca 0.20 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1ypy h LEU 163 Cb -0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1ypy h LEU 163 CO -0.07 0.82 -0.36 -0.03 0.09 0.00 0.00 178.44 178.90 1ypy h MET 164 N 0.83 0.43 -0.53 1.13 4.05 -0.17 0.27 114.93 120.93 1ypy h MET 164 Ca 0.18 -0.19 -0.11 0.00 -0.28 0.00 0.00 59.70 59.29 1ypy h MET 164 Cb 0.35 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 1ypy h MET 164 CO 0.00 0.73 -0.11 1.96 0.23 0.00 0.00 176.91 179.72 1ypy h GLN 165 N 0.36 1.02 -0.40 0.39 4.20 -0.25 -1.08 115.11 119.35 1ypy h GLN 165 Ca 0.04 -0.38 -0.11 0.00 0.06 0.00 0.00 58.65 58.26 1ypy h GLN 165 Cb 0.80 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 1ypy h GLN 165 CO 0.06 1.07 -0.19 -0.07 -0.67 0.00 0.00 178.83 179.03 1ypy h LEU 166 N 0.89 0.85 -0.24 1.46 3.38 -0.97 -2.28 115.31 118.41 1ypy h LEU 166 Ca 0.14 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1ypy h LEU 166 Cb 0.68 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1ypy h LEU 166 CO 0.05 1.07 0.10 0.74 0.09 0.00 0.00 178.44 180.49 1ypy h THR 167 N 0.64 1.16 -0.29 0.22 2.02 -0.80 -1.23 112.91 114.63 1ypy h THR 167 Ca 0.09 -0.48 -0.10 0.00 0.77 0.00 0.00 66.41 66.69 1ypy h THR 167 Cb 0.74 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1ypy h THR 167 CO 0.06 0.16 -0.22 0.71 0.37 0.00 0.00 175.52 176.60 1ypy h THR 168 N 0.24 1.26 -0.62 3.16 1.35 -1.23 -2.58 112.91 114.49 1ypy h THR 168 Ca 0.08 -1.24 -0.07 0.00 -0.55 0.00 0.00 66.41 64.63 1ypy h THR 168 Cb 0.16 1.28 -0.03 0.00 -1.73 0.00 0.00 68.15 67.83 1ypy h THR 168 CO -0.01 0.40 0.11 0.50 -0.25 0.00 0.00 175.52 176.27 1ypy h LYS 169 N 0.49 1.00 -0.79 4.72 1.63 -1.18 -2.56 116.57 119.89 1ypy h LYS 169 Ca 0.07 -0.25 0.05 0.00 -0.85 0.00 0.00 60.65 59.68 1ypy h LYS 169 Cb 0.65 -0.13 -0.06 0.00 -0.60 0.00 0.00 32.23 32.10 1ypy h LYS 169 CO 0.05 0.92 0.48 0.00 -3.45 0.00 0.00 179.45 177.45 1ypy h ALA 170 N 1.16 1.07 -0.58 5.00 0.00 -0.83 -1.35 119.26 123.73 1ypy h ALA 170 Ca 0.19 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1ypy h ALA 170 Cb 0.40 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1ypy h ALA 170 CO 0.01 0.22 0.04 1.79 0.00 0.00 0.00 179.25 181.31 1ypy h THR 171 N 0.89 1.26 0.00 0.00 1.35 -1.24 -2.73 112.91 112.43 1ypy h THR 171 Ca 0.34 -1.05 -0.11 0.00 -0.55 0.00 0.00 66.41 65.05 1ypy h THR 171 Cb 0.14 0.76 -0.02 0.00 -1.73 0.00 0.00 68.15 67.31 1ypy h THR 171 CO -0.16 0.38 -0.51 0.71 -0.25 0.00 0.00 175.52 175.69 1ypy h THR 172 N 0.90 1.19 0.00 6.82 1.35 -1.16 -2.34 112.91 119.66 1ypy h THR 172 Ca 0.17 -1.87 -0.05 0.00 -0.55 0.00 0.00 66.41 64.11 1ypy h THR 172 Cb 0.47 2.06 -0.01 0.00 -1.73 0.00 0.00 68.15 68.94 1ypy h THR 172 CO 0.02 0.50 -0.25 1.56 -0.25 0.00 0.00 175.52 177.10 1ypy h GLN 173 N 0.00 0.00 -0.02 4.72 4.20 -0.98 -3.07 115.11 119.97 1ypy h GLN 173 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1ypy h GLN 173 Cb 1.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.80 1ypy h GLN 173 CO 0.07 0.25 -0.30 0.44 -0.67 0.00 0.00 178.83 178.62 1ypy n ILE 174 N -3.31 0.00 -1.69 2.54 -5.35 -1.07 -4.99 119.36 105.49 1ypy n ILE 174 Ca 0.01 -0.35 -0.34 0.00 -0.27 0.00 0.00 62.75 61.80 1ypy n ILE 174 Cb 0.50 1.27 0.06 0.00 -1.74 0.00 0.00 39.64 39.73 1ypy n ILE 174 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ypy s ALA 175 N -2.04 2.37 0.35 -1.28 0.00 -0.89 -4.94 121.76 115.32 1ypy s ALA 175 Ca 0.18 0.70 -0.28 0.00 0.00 0.00 0.00 51.96 52.55 1ypy s ALA 175 Cb 0.16 -3.38 -0.11 0.00 0.00 0.00 0.00 23.12 19.79 1ypy s ALA 175 CO 0.42 -1.44 1.45 -1.25 0.00 0.00 0.00 175.76 174.94 1ypy s PRO 176 N -3.93 4.18 -0.16 0.00 0.04 -1.26 -4.95 135.00 128.92 1ypy s PRO 176 Ca 0.70 2.47 -0.23 0.00 0.04 0.00 0.00 61.00 63.98 1ypy s PRO 176 Cb -0.24 -3.00 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 1ypy s PRO 176 CO 0.41 -0.45 0.73 0.15 0.04 0.00 0.00 177.00 177.88 1ypy s LYS 177 N -1.81 4.29 -0.10 4.56 1.02 -1.26 -5.02 119.74 121.42 1ypy s LYS 177 Ca 0.53 0.84 -0.32 0.00 0.02 0.00 0.00 55.97 57.04 1ypy s LYS 177 Cb -0.45 -3.55 0.12 0.00 -0.52 0.00 0.00 37.83 33.43 1ypy s LYS 177 CO 0.59 -0.22 1.08 1.14 -0.92 0.00 0.00 175.35 177.02 1ypy s GLN 178 N 1.79 0.53 -0.09 1.68 1.03 -1.26 -3.37 119.66 119.98 1ypy s GLN 178 Ca 0.35 -0.21 -0.01 0.00 0.04 0.00 0.00 55.36 55.52 1ypy s GLN 178 Cb -0.16 0.24 0.03 0.00 0.03 0.00 0.00 33.01 33.15 1ypy s GLN 178 CO 0.13 -0.23 0.00 0.08 -2.54 0.00 0.00 175.29 172.72 1ypy s VAL 179 N -2.71 0.44 -1.44 3.63 1.01 -0.45 -4.78 120.40 116.09 1ypy s VAL 179 Ca 0.08 -0.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 1ypy s VAL 179 Cb -0.01 -0.64 0.06 0.00 0.00 0.00 0.00 36.38 35.79 1ypy s VAL 179 CO -0.06 0.20 0.71 0.00 0.00 0.00 0.00 175.10 175.95 1ypy n ALA 180 N 5.12 -1.12 -0.33 5.51 0.00 -1.26 -1.57 120.51 126.87 1ypy n ALA 180 Ca -0.08 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1ypy n ALA 180 Cb 0.50 -3.76 0.00 0.00 0.00 0.00 0.00 19.45 16.18 1ypy n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ypy n GLY 181 N -1.47 1.98 3.82 0.00 0.00 -1.26 -5.02 105.19 103.24 1ypy n GLY 181 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1ypy n GLY 181 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ypy s THR 182 N -3.20 5.41 0.35 2.61 2.01 -0.61 -5.04 115.64 117.17 1ypy s THR 182 Ca 0.00 0.31 -0.28 0.00 0.31 0.00 0.00 61.69 62.03 1ypy s THR 182 Cb 0.00 -3.48 -0.12 0.00 0.01 0.00 0.00 72.50 68.91 1ypy s THR 182 CO 0.00 0.54 1.32 0.61 -0.69 0.00 0.00 174.62 176.41 1ypy n GLY 183 N 2.51 0.70 3.23 4.40 0.00 -1.26 -1.34 105.19 113.43 1ypy n GLY 183 Ca -0.17 0.32 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 1ypy n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ypy s VAL 184 N -1.10 1.14 0.00 1.61 -7.23 -1.22 -4.81 120.40 108.80 1ypy s VAL 184 Ca 0.55 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 1ypy s VAL 184 Cb -0.55 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 34.68 1ypy s VAL 184 CO 0.63 -0.67 0.00 0.00 -0.31 0.00 0.00 175.10 174.75