#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yau s THR 2 N 0.00 0.48 0.09 12.58 2.01 -1.26 -0.48 115.64 129.06 1yau s THR 2 Ca 0.00 -0.06 0.03 0.00 0.31 0.00 0.00 61.69 61.97 1yau s THR 2 Cb 0.00 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 1yau s THR 2 CO 0.00 0.22 -0.08 0.42 -0.69 0.00 0.00 174.62 174.49 1yau s THR 3 N 1.12 0.78 0.00 -0.82 -4.23 -0.33 -2.22 115.64 109.94 1yau s THR 3 Ca -0.08 -1.67 -0.13 0.00 -1.18 0.00 0.00 61.69 58.63 1yau s THR 3 Cb -0.14 -1.36 0.02 0.00 1.34 0.00 0.00 72.50 72.36 1yau s THR 3 CO -0.01 -0.65 0.28 0.54 -0.54 0.00 0.00 174.62 174.24 1yau s VAL 4 N -2.73 0.07 -0.01 2.29 0.11 0.54 -1.29 120.40 119.38 1yau s VAL 4 Ca 0.05 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 1yau s VAL 4 Cb -0.01 -0.69 0.01 0.00 -1.53 0.00 0.00 36.38 34.17 1yau s VAL 4 CO -0.02 -0.32 0.01 -0.83 -3.33 0.00 0.00 175.10 170.62 1yau s GLY 5 N -1.55 0.06 0.04 6.54 0.00 -0.21 -0.88 107.32 111.32 1yau s GLY 5 Ca -0.11 0.13 0.05 0.00 0.00 0.00 0.00 44.72 44.79 1yau s GLY 5 CO 0.02 0.31 -0.15 -0.26 0.00 0.00 0.00 173.10 173.01 1yau s ILE 6 N 0.49 1.21 -0.04 0.90 -4.36 0.51 -1.10 121.20 118.81 1yau s ILE 6 Ca -0.04 -1.01 -0.05 0.00 -0.26 0.00 0.00 60.65 59.29 1yau s ILE 6 Cb -0.06 -1.08 -0.04 0.00 1.25 0.00 0.00 42.46 42.53 1yau s ILE 6 CO -0.01 0.06 0.19 0.42 0.24 0.00 0.00 174.94 175.83 1yau s THR 7 N -0.81 5.43 0.50 8.37 -4.23 0.18 -1.44 115.64 123.64 1yau s THR 7 Ca 0.03 0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.60 1yau s THR 7 Cb -0.08 -3.50 -0.01 0.00 1.34 0.00 0.00 72.50 70.25 1yau s THR 7 CO 0.01 0.44 0.04 -0.76 -0.54 0.00 0.00 174.62 173.81 1yau s LEU 8 N -1.59 2.15 0.23 4.79 1.43 0.11 -4.90 118.68 120.91 1yau s LEU 8 Ca 0.23 -1.70 -0.15 0.00 -1.03 0.00 0.00 54.13 51.47 1yau s LEU 8 Cb -0.13 -0.54 0.27 0.00 0.03 0.00 0.00 46.19 45.82 1yau s LEU 8 CO 0.13 -0.93 1.57 0.11 0.23 0.00 0.00 176.35 177.46 1yau h LYS 9 N 1.40 -0.04 0.00 1.70 6.56 -1.84 -3.13 116.57 121.22 1yau h LYS 9 Ca -0.41 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.09 1yau h LYS 9 Cb 1.31 0.01 -0.20 0.00 -0.57 0.00 0.00 32.23 32.78 1yau h LYS 9 CO 0.68 -0.03 -0.74 -0.25 -2.06 0.00 0.00 179.45 177.06 1yau n ASP 10 N -5.50 1.16 -3.85 0.86 10.43 -1.26 -4.69 116.55 113.70 1yau n ASP 10 Ca 0.10 -2.61 -0.11 0.00 2.57 0.00 0.00 54.79 54.73 1yau n ASP 10 Cb 0.41 -0.36 -0.09 0.00 1.84 0.00 0.00 41.12 42.91 1yau n ASP 10 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1yau s ALA 11 N -1.12 -0.40 -0.06 2.24 0.00 -1.18 -4.49 121.76 116.75 1yau s ALA 11 Ca 0.30 -0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.20 1yau s ALA 11 Cb 0.32 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 1yau s ALA 11 CO -0.10 -0.25 -0.17 0.08 0.00 0.00 0.00 175.76 175.32 1yau s VAL 12 N -1.64 2.83 -0.11 0.00 1.01 -0.28 -0.71 120.40 121.49 1yau s VAL 12 Ca -0.12 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1yau s VAL 12 Cb -0.06 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.24 1yau s VAL 12 CO 0.01 0.58 -0.17 -0.63 0.00 0.00 0.00 175.10 174.89 1yau s ILE 13 N -0.51 1.61 0.11 2.22 1.01 -0.52 -0.02 121.20 125.09 1yau s ILE 13 Ca 0.07 -0.71 0.09 0.00 0.00 0.00 0.00 60.65 60.10 1yau s ILE 13 Cb -0.12 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1yau s ILE 13 CO 0.01 0.46 -0.23 -0.04 0.00 0.00 0.00 174.94 175.14 1yau s MET 14 N 0.92 1.26 0.05 2.79 -1.94 -0.81 -0.36 119.30 121.21 1yau s MET 14 Ca -0.07 -1.22 -0.24 0.00 -1.71 0.00 0.00 55.69 52.45 1yau s MET 14 Cb -0.15 -1.60 0.06 0.00 2.01 0.00 0.00 34.83 35.14 1yau s MET 14 CO -0.01 0.38 0.55 0.00 -0.01 0.00 0.00 175.02 175.93 1yau s ALA 15 N -1.09 -1.43 0.16 3.03 0.00 -0.05 -1.54 121.76 120.84 1yau s ALA 15 Ca 0.09 0.69 -0.06 0.00 0.00 0.00 0.00 51.96 52.69 1yau s ALA 15 Cb -0.10 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 1yau s ALA 15 CO 0.05 -0.52 0.20 0.95 0.00 0.00 0.00 175.76 176.44 1yau s THR 16 N -2.42 0.07 0.00 0.00 -4.23 -0.75 -0.34 115.64 107.97 1yau s THR 16 Ca -0.05 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1yau s THR 16 Cb -0.01 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.84 1yau s THR 16 CO -0.01 -0.31 0.00 -1.84 -0.54 0.00 0.00 174.62 171.92 1yau n GLU 17 N -0.19 1.93 0.00 3.99 -0.00 -0.94 -0.98 120.64 124.45 1yau n GLU 17 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.11 1yau n GLU 17 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.07 1yau n GLU 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1yau n ARG 18 N -0.31 0.00 -2.55 3.44 5.12 -0.15 -4.60 116.66 117.62 1yau n ARG 18 Ca 0.00 -0.38 -0.41 0.00 -1.93 0.00 0.00 57.85 55.13 1yau n ARG 18 Cb 0.00 -0.43 -0.04 0.00 -1.16 0.00 0.00 32.46 30.83 1yau n ARG 18 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1yau s ARG 19 N 0.00 4.63 -0.22 5.56 3.52 -0.77 0.19 118.95 131.86 1yau s ARG 19 Ca 0.00 1.69 0.02 0.00 -0.13 0.00 0.00 55.73 57.30 1yau s ARG 19 Cb 0.00 -3.28 0.05 0.00 -1.56 0.00 0.00 34.95 30.16 1yau s ARG 19 CO 0.00 0.14 -0.12 0.08 -0.81 0.00 0.00 175.30 174.59 1yau s VAL 20 N -0.41 1.95 0.24 7.11 1.01 -0.21 -4.73 120.40 125.35 1yau s VAL 20 Ca 0.48 -1.27 0.08 0.00 0.00 0.00 0.00 61.98 61.28 1yau s VAL 20 Cb -0.29 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1yau s VAL 20 CO 0.35 0.15 0.05 0.42 0.00 0.00 0.00 175.10 176.08 1yau s THR 21 N 1.25 3.79 -0.48 3.92 -4.23 -1.26 -1.36 115.64 117.28 1yau s THR 21 Ca -0.03 -1.66 0.04 0.00 -1.18 0.00 0.00 61.69 58.85 1yau s THR 21 Cb -0.17 -3.01 0.13 0.00 1.34 0.00 0.00 72.50 70.78 1yau s THR 21 CO -0.08 -0.31 0.22 -0.32 -0.54 0.00 0.00 174.62 173.60 1yau s MET 22 N -3.56 1.80 6.79 3.99 1.75 0.22 -4.89 119.30 125.39 1yau s MET 22 Ca 0.31 -2.42 0.00 0.00 -1.25 0.00 0.00 55.69 52.33 1yau s MET 22 Cb -0.07 -3.17 0.00 0.00 2.84 0.00 0.00 34.83 34.43 1yau s MET 22 CO 0.21 -1.09 0.00 0.39 -0.65 0.00 0.00 175.02 173.88 1yau n GLU 23 N 3.36 0.00 0.11 4.11 1.02 -1.26 -2.01 120.64 125.97 1yau n GLU 23 Ca 0.05 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.32 1yau n GLU 23 Cb 0.34 0.00 0.29 0.00 -0.02 0.00 0.00 31.44 32.05 1yau n GLU 23 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 1yau h ASN 24 N 0.00 0.00 -3.43 1.62 7.08 -1.99 -3.45 115.58 115.40 1yau h ASN 24 Ca 0.00 -0.05 -0.57 0.00 -3.08 0.00 0.00 56.30 52.60 1yau h ASN 24 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 36.18 1yau h ASN 24 CO 0.00 0.02 0.97 0.12 -2.08 0.00 0.00 177.43 176.47 1yau s PHE 25 N -3.15 2.70 -0.91 4.14 2.19 -0.85 -4.98 117.98 117.12 1yau s PHE 25 Ca 0.08 0.78 -0.25 0.00 0.33 0.00 0.00 56.93 57.88 1yau s PHE 25 Cb 0.11 -4.22 0.04 0.00 -1.31 0.00 0.00 43.02 37.64 1yau s PHE 25 CO 0.65 -1.52 1.39 0.42 1.83 0.00 0.00 175.22 177.99 1yau s ILE 26 N 4.66 3.83 -0.04 3.12 1.01 -1.26 -0.61 121.20 131.91 1yau s ILE 26 Ca 0.53 -0.30 -0.26 0.00 0.00 0.00 0.00 60.65 60.63 1yau s ILE 26 Cb -0.11 -4.99 -0.21 0.00 0.01 0.00 0.00 42.46 37.16 1yau s ILE 26 CO 0.29 -1.89 1.16 0.24 0.00 0.00 0.00 174.94 174.73 1yau h MET 27 N 9.94 0.05 -3.86 2.79 2.86 -1.56 -3.45 114.93 121.69 1yau h MET 27 Ca 0.01 -0.03 -0.41 0.00 -2.06 0.00 0.00 59.70 57.21 1yau h MET 27 Cb 1.03 0.01 -0.35 0.00 0.06 0.00 0.00 31.60 32.34 1yau h MET 27 CO 1.37 0.65 -0.77 -1.01 1.06 0.00 0.00 176.91 178.21 1yau s HIS 28 N -3.77 0.66 -0.48 -0.22 3.76 -0.99 -5.01 115.29 109.24 1yau s HIS 28 Ca -0.16 -0.17 0.24 0.00 -0.15 0.00 0.00 55.06 54.82 1yau s HIS 28 Cb 0.01 -0.68 0.37 0.00 1.11 0.00 0.00 32.58 33.39 1yau s HIS 28 CO 0.69 -0.23 1.50 0.87 -0.85 0.00 0.00 174.74 176.72 1yau h LYS 29 N 7.60 0.00 -2.10 1.40 1.57 -1.87 -0.55 116.57 122.62 1yau h LYS 29 Ca -0.32 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.93 1yau h LYS 29 Cb 1.14 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.04 1yau h LYS 29 CO 0.40 0.00 -0.99 -1.71 -0.57 0.00 0.00 179.45 176.58 1yau n ASN 30 N -2.75 2.11 -4.72 0.86 2.85 -1.21 -4.01 115.26 108.39 1yau n ASN 30 Ca 0.03 -3.23 -0.27 0.00 -0.11 0.00 0.00 54.58 51.00 1yau n ASN 30 Cb 0.51 -0.60 0.10 0.00 1.24 0.00 0.00 39.78 41.03 1yau n ASN 30 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1yau s GLY 31 N -2.72 1.69 -0.13 8.20 0.00 0.13 -5.04 107.32 109.46 1yau s GLY 31 Ca 0.43 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 44.18 1yau s GLY 31 CO -0.10 -0.46 -0.20 1.25 0.00 0.00 0.00 173.10 173.58 1yau s LYS 32 N -5.47 3.11 0.00 2.90 2.20 -1.26 -4.62 119.74 116.59 1yau s LYS 32 Ca 0.64 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 55.43 1yau s LYS 32 Cb -0.09 -2.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.79 1yau s LYS 32 CO 0.48 0.10 0.39 1.63 -0.36 0.00 0.00 175.35 177.59 1yau n LYS 33 N 3.78 -0.14 -4.46 4.03 5.02 -1.26 -5.01 118.16 120.11 1yau n LYS 33 Ca -0.19 -0.45 -0.23 0.00 -2.02 0.00 0.00 58.31 55.42 1yau n LYS 33 Cb 0.52 -0.80 -0.16 0.00 -0.02 0.00 0.00 35.03 34.57 1yau n LYS 33 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1yau s LEU 34 N -0.11 1.58 -0.03 -0.35 2.96 -1.26 -2.05 118.68 119.42 1yau s LEU 34 Ca 0.00 -0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 53.63 1yau s LEU 34 Cb 0.00 -0.70 0.01 0.00 0.50 0.00 0.00 46.19 45.99 1yau s LEU 34 CO 0.00 0.02 0.09 -0.36 -1.32 0.00 0.00 176.35 174.77 1yau s PHE 35 N 0.67 -0.05 -0.03 5.38 0.08 -0.70 -4.99 117.98 118.34 1yau s PHE 35 Ca -0.13 0.14 -0.28 0.00 0.12 0.00 0.00 56.93 56.77 1yau s PHE 35 Cb -0.15 0.00 -0.03 0.00 -0.57 0.00 0.00 43.02 42.28 1yau s PHE 35 CO 0.03 -0.09 0.92 -1.14 -0.10 0.00 0.00 175.22 174.83 1yau s GLN 36 N -0.26 4.51 0.00 0.44 0.74 -1.26 -0.70 119.66 123.13 1yau s GLN 36 Ca -0.03 1.29 0.04 0.00 0.05 0.00 0.00 55.36 56.71 1yau s GLN 36 Cb -0.02 -3.47 -0.02 0.00 1.10 0.00 0.00 33.01 30.60 1yau s GLN 36 CO 0.00 -0.06 0.31 0.44 -0.55 0.00 0.00 175.29 175.44 1yau n ILE 37 N 3.95 0.00 -3.82 -2.34 -5.35 0.15 -4.93 119.36 107.02 1yau n ILE 37 Ca 0.05 -0.43 -0.07 0.00 -0.27 0.00 0.00 62.75 62.02 1yau n ILE 37 Cb 0.51 1.03 0.02 0.00 -1.74 0.00 0.00 39.64 39.45 1yau n ILE 37 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1yau s ASP 38 N -1.12 -0.03 0.20 7.28 2.15 -1.00 -4.42 116.67 119.73 1yau s ASP 38 Ca 0.03 -0.97 -0.11 0.00 0.43 0.00 0.00 52.55 51.93 1yau s ASP 38 Cb 0.03 0.76 0.26 0.00 -0.30 0.00 0.00 42.92 43.68 1yau s ASP 38 CO 0.14 -1.50 1.72 0.74 -0.17 0.00 0.00 175.17 176.10 1yau h THR 39 N 2.00 0.69 -0.16 1.71 2.02 -1.97 -2.61 112.91 114.59 1yau h THR 39 Ca -0.30 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 1yau h THR 39 Cb 1.24 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 1yau h THR 39 CO 0.37 0.05 -0.21 -1.22 0.37 0.00 0.00 175.52 174.88 1yau n TYR 40 N -5.10 0.51 -3.87 3.16 4.01 -1.26 -3.24 117.16 111.37 1yau n TYR 40 Ca 0.08 -1.40 -0.18 0.00 -0.16 0.00 0.00 57.90 56.24 1yau n TYR 40 Cb 0.29 -0.33 -0.16 0.00 -0.31 0.00 0.00 39.34 38.82 1yau n TYR 40 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1yau s THR 41 N -3.15 0.14 0.26 -0.72 2.01 -0.98 -2.45 115.64 110.75 1yau s THR 41 Ca 0.40 0.14 0.11 0.00 0.31 0.00 0.00 61.69 62.65 1yau s THR 41 Cb 0.37 -0.26 -0.05 0.00 0.01 0.00 0.00 72.50 72.56 1yau s THR 41 CO -0.01 0.15 -0.19 -0.83 -0.69 0.00 0.00 174.62 173.05 1yau s GLY 42 N 1.24 1.78 0.00 4.40 0.00 0.84 -0.67 107.32 114.91 1yau s GLY 42 Ca -0.07 -1.82 0.01 0.00 0.00 0.00 0.00 44.72 42.84 1yau s GLY 42 CO -0.02 -1.91 -0.02 -0.29 0.00 0.00 0.00 173.10 170.86 1yau s MET 43 N -3.49 0.17 0.20 2.90 1.75 0.12 -1.38 119.30 119.57 1yau s MET 43 Ca 0.28 -0.10 0.06 0.00 -1.25 0.00 0.00 55.69 54.68 1yau s MET 43 Cb -0.04 -0.15 -0.04 0.00 2.84 0.00 0.00 34.83 37.44 1yau s MET 43 CO 0.13 0.04 0.11 0.95 -0.65 0.00 0.00 175.02 175.60 1yau s THR 44 N -0.12 4.22 -0.01 10.11 -4.23 -0.18 -1.72 115.64 123.71 1yau s THR 44 Ca -0.00 -1.32 0.04 0.00 -1.18 0.00 0.00 61.69 59.23 1yau s THR 44 Cb -0.01 -3.20 -0.01 0.00 1.34 0.00 0.00 72.50 70.62 1yau s THR 44 CO -0.00 -0.20 -0.15 0.27 -0.54 0.00 0.00 174.62 174.00 1yau s ILE 45 N -1.91 1.16 0.04 2.99 -4.36 -0.87 -2.03 121.20 116.22 1yau s ILE 45 Ca 0.31 -0.62 -0.02 0.00 -0.26 0.00 0.00 60.65 60.06 1yau s ILE 45 Cb -0.09 -0.97 -0.03 0.00 1.25 0.00 0.00 42.46 42.62 1yau s ILE 45 CO 0.23 0.33 -0.00 0.00 0.24 0.00 0.00 174.94 175.73 1yau s ALA 46 N -0.29 0.30 0.00 2.27 0.00 -0.93 -4.91 121.76 118.20 1yau s ALA 46 Ca 0.04 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1yau s ALA 46 Cb -0.06 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1yau s ALA 46 CO -0.00 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1yau n GLY 47 N 0.57 0.01 3.67 0.00 0.00 -1.26 -2.15 105.19 106.02 1yau n GLY 47 Ca -0.17 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 1yau n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1yau s LEU 48 N 0.00 4.27 0.10 0.99 2.96 -0.03 -4.92 118.68 122.05 1yau s LEU 48 Ca 0.00 2.02 -0.23 0.00 -0.22 0.00 0.00 54.13 55.70 1yau s LEU 48 Cb 0.00 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 43.02 1yau s LEU 48 CO 0.00 -0.82 1.73 0.58 -1.32 0.00 0.00 176.35 176.51 1yau h VAL 49 N 5.40 0.92 -0.63 1.68 2.07 -1.93 -1.61 116.25 122.15 1yau h VAL 49 Ca -0.34 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.27 1yau h VAL 49 Cb 1.15 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 31.77 1yau h VAL 49 CO 0.95 0.00 0.26 1.23 0.02 0.00 0.00 177.57 180.03 1yau h GLY 50 N -0.05 0.91 0.81 2.17 0.00 -1.99 0.92 103.07 105.83 1yau h GLY 50 Ca 0.01 -0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.21 1yau h GLY 50 CO -0.03 0.00 0.01 -0.55 0.00 0.00 0.00 176.54 175.97 1yau h ASP 51 N 0.46 -0.03 -0.11 0.19 3.32 -1.86 -2.39 116.42 116.00 1yau h ASP 51 Ca 0.32 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.28 1yau h ASP 51 Cb 0.37 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1yau h ASP 51 CO -0.29 0.00 -0.32 0.00 -1.72 0.00 0.00 179.24 176.91 1yau h ALA 52 N 1.11 0.92 -0.48 3.45 0.00 -0.80 -1.55 119.26 121.92 1yau h ALA 52 Ca 0.06 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1yau h ALA 52 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1yau h ALA 52 CO -0.10 0.62 -0.06 1.96 0.00 0.00 0.00 179.25 181.67 1yau h GLN 53 N 0.51 0.89 -0.45 0.00 4.20 -0.78 -1.34 115.11 118.13 1yau h GLN 53 Ca 0.06 -0.31 0.05 0.00 0.06 0.00 0.00 58.65 58.51 1yau h GLN 53 Cb 0.80 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.47 1yau h GLN 53 CO 0.07 0.96 0.18 0.28 -0.67 0.00 0.00 178.83 179.64 1yau h VAL 54 N 0.74 0.89 -0.87 -0.54 2.07 -1.25 -2.37 116.25 114.92 1yau h VAL 54 Ca 0.13 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1yau h VAL 54 Cb 0.60 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1yau h VAL 54 CO 0.04 0.07 0.52 -0.07 0.02 0.00 0.00 177.57 178.15 1yau h LEU 55 N 0.36 1.04 -0.31 2.57 3.38 -1.08 -1.58 115.31 119.70 1yau h LEU 55 Ca 0.21 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1yau h LEU 55 Cb 0.18 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1yau h LEU 55 CO -0.19 0.80 0.17 0.58 0.09 0.00 0.00 178.44 179.89 1yau h VAL 56 N 1.19 1.02 -0.88 1.22 2.07 -1.11 -0.29 116.25 119.47 1yau h VAL 56 Ca 0.31 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.69 1yau h VAL 56 Cb -0.05 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1yau h VAL 56 CO -0.06 0.06 0.46 0.03 0.02 0.00 0.00 177.57 178.08 1yau h ARG 57 N 0.35 1.24 -0.53 1.57 3.08 -1.17 -0.68 114.38 118.24 1yau h ARG 57 Ca 0.12 -0.16 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1yau h ARG 57 Cb 0.02 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 1yau h ARG 57 CO -0.07 0.92 -0.09 1.88 -1.07 0.00 0.00 179.97 181.54 1yau h TYR 58 N 1.23 1.07 0.05 3.04 0.99 -1.12 -2.05 116.97 120.19 1yau h TYR 58 Ca 0.31 -0.21 -0.00 0.00 2.00 0.00 0.00 58.73 60.83 1yau h TYR 58 Cb 0.06 -0.27 0.00 0.00 1.00 0.00 0.00 36.73 37.52 1yau h TYR 58 CO 0.01 1.00 -0.02 0.52 -0.00 0.00 0.00 178.16 179.66 1yau h MET 59 N 0.87 -0.06 -0.57 4.88 2.86 -0.89 -0.80 114.93 121.22 1yau h MET 59 Ca 0.14 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.87 1yau h MET 59 Cb 0.63 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.24 1yau h MET 59 CO 0.04 0.35 0.21 0.87 1.06 0.00 0.00 176.91 179.44 1yau h LYS 60 N -0.49 0.38 -0.19 1.72 1.57 -1.12 -0.21 116.57 118.23 1yau h LYS 60 Ca -0.01 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1yau h LYS 60 Cb 0.44 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1yau h LYS 60 CO 0.01 0.25 0.01 0.00 -0.57 0.00 0.00 179.45 179.15 1yau h ALA 61 N 1.38 0.26 -0.31 3.86 0.00 -1.42 -2.51 119.26 120.53 1yau h ALA 61 Ca 0.28 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1yau h ALA 61 Cb 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1yau h ALA 61 CO -0.28 -0.04 -0.42 1.49 0.00 0.00 0.00 179.25 180.00 1yau h GLU 62 N 0.10 0.76 -0.05 0.00 4.57 -0.87 -1.74 114.58 117.35 1yau h GLU 62 Ca 0.05 -0.41 -0.14 0.00 -1.18 0.00 0.00 59.36 57.69 1yau h GLU 62 Cb 0.37 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1yau h GLU 62 CO 0.01 1.03 -0.60 -0.07 -1.18 0.00 0.00 179.01 178.20 1yau h LEU 63 N 0.62 0.18 -0.12 1.64 3.38 -1.06 0.20 115.31 120.15 1yau h LEU 63 Ca 0.05 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1yau h LEU 63 Cb 0.97 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1yau h LEU 63 CO 0.09 0.74 -0.16 -0.08 0.09 0.00 0.00 178.44 179.12 1yau h GLU 64 N 0.12 0.31 -0.19 1.13 4.81 -1.38 -2.43 114.58 116.95 1yau h GLU 64 Ca -0.01 -0.18 0.06 0.00 -0.13 0.00 0.00 59.36 59.10 1yau h GLU 64 Cb 1.08 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.41 1yau h GLU 64 CO 0.09 0.75 -0.26 1.25 -0.73 0.00 0.00 179.01 180.10 1yau h LEU 65 N -0.10 -0.83 -1.13 1.64 5.85 -1.18 -1.68 115.31 117.87 1yau h LEU 65 Ca 0.01 0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.98 1yau h LEU 65 Cb 0.71 0.38 -0.07 0.00 0.37 0.00 0.00 40.66 42.04 1yau h LEU 65 CO 0.04 -0.30 0.60 0.22 -0.34 0.00 0.00 178.44 178.66 1yau h TYR 66 N -0.30 1.03 -0.17 1.25 5.03 -0.97 0.39 116.97 123.22 1yau h TYR 66 Ca 0.12 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.41 1yau h TYR 66 Cb 0.48 -0.33 -0.00 0.00 1.55 0.00 0.00 36.73 38.43 1yau h TYR 66 CO -0.39 0.45 -0.06 -0.09 -1.32 0.00 0.00 178.16 176.75 1yau h ARG 67 N 0.93 0.35 -0.58 1.82 2.43 -1.14 0.24 114.38 118.43 1yau h ARG 67 Ca 0.44 -0.14 0.03 0.00 -0.81 0.00 0.00 59.98 59.50 1yau h ARG 67 Cb 0.43 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 1yau h ARG 67 CO -0.20 0.63 0.35 -0.07 -1.51 0.00 0.00 179.97 179.17 1yau h LEU 68 N 0.04 0.57 -0.33 3.80 4.07 -0.65 0.32 115.31 123.13 1yau h LEU 68 Ca 0.04 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.82 1yau h LEU 68 Cb 0.52 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 42.14 1yau h LEU 68 CO 0.02 0.40 -0.55 1.56 -1.08 0.00 0.00 178.44 178.79 1yau h GLN 69 N 0.69 0.84 0.00 1.13 4.20 -0.76 -3.33 115.11 117.88 1yau h GLN 69 Ca 0.23 -0.53 0.00 0.00 0.06 0.00 0.00 58.65 58.41 1yau h GLN 69 Cb 0.02 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1yau h GLN 69 CO -0.10 1.17 -1.31 0.54 -0.67 0.00 0.00 178.83 178.46 1yau n ARG 70 N -4.00 0.44 -1.83 1.46 3.00 0.84 -4.98 116.66 111.59 1yau n ARG 70 Ca -0.04 -0.04 -0.18 0.00 -0.01 0.00 0.00 57.85 57.58 1yau n ARG 70 Cb 0.63 -1.61 -0.05 0.00 0.00 0.00 0.00 32.46 31.42 1yau n ARG 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1yau n ARG 71 N -2.15 -1.55 -3.99 5.56 1.74 0.11 -4.97 116.66 111.40 1yau n ARG 71 Ca -0.00 1.01 -0.08 0.00 -0.77 0.00 0.00 57.85 58.01 1yau n ARG 71 Cb 0.49 -5.45 -0.09 0.00 -1.02 0.00 0.00 32.46 26.39 1yau n ARG 71 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1yau s VAL 72 N -2.67 0.18 0.39 1.55 -7.23 -1.25 -5.07 120.40 106.31 1yau s VAL 72 Ca 0.00 -1.47 -0.25 0.00 -1.81 0.00 0.00 61.98 58.44 1yau s VAL 72 Cb 0.00 -1.32 -0.09 0.00 0.56 0.00 0.00 36.38 35.53 1yau s VAL 72 CO 0.00 -0.81 1.14 0.20 -0.31 0.00 0.00 175.10 175.32 1yau s ASN 73 N -2.72 6.61 0.20 4.85 -0.87 -1.26 -4.14 114.94 117.61 1yau s ASN 73 Ca 0.04 2.29 -0.32 0.00 -1.57 0.00 0.00 52.86 53.30 1yau s ASN 73 Cb 0.05 -2.61 -0.12 0.00 -0.02 0.00 0.00 41.25 38.55 1yau s ASN 73 CO -0.09 -0.61 1.74 0.80 -2.57 0.00 0.00 177.10 176.36 1yau n MET 74 N 0.12 2.78 -1.71 -0.60 0.00 -1.26 -4.95 117.12 111.50 1yau n MET 74 Ca 0.04 1.00 -0.36 0.00 -0.00 0.00 0.00 57.70 58.38 1yau n MET 74 Cb 0.47 -2.85 0.07 0.00 0.00 0.00 0.00 33.22 30.90 1yau n MET 74 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1yau s PRO 75 N 1.34 2.51 0.29 2.12 0.02 -1.26 -4.81 135.00 135.20 1yau s PRO 75 Ca 0.76 2.00 -0.02 0.00 0.02 0.00 0.00 61.00 63.76 1yau s PRO 75 Cb -0.50 -1.85 0.42 0.00 0.02 0.00 0.00 34.50 32.58 1yau s PRO 75 CO 0.33 -1.62 1.93 0.82 -0.33 0.00 0.00 177.00 178.13 1yau h ILE 76 N 0.43 1.22 -0.15 2.83 1.08 -1.92 -0.47 117.51 120.53 1yau h ILE 76 Ca -0.50 -0.49 -0.09 0.00 -0.39 0.00 0.00 64.86 63.38 1yau h ILE 76 Cb 1.33 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 35.20 1yau h ILE 76 CO 0.53 0.23 -0.32 -0.08 -0.69 0.00 0.00 178.15 177.82 1yau h GLU 77 N 1.07 0.30 -0.35 2.37 4.81 -1.99 -1.94 114.58 118.84 1yau h GLU 77 Ca 0.28 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.30 1yau h GLU 77 Cb -0.03 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1yau h GLU 77 CO -0.05 0.59 -0.14 0.00 -0.73 0.00 0.00 179.01 178.68 1yau h ALA 78 N 1.41 1.10 -0.60 2.92 0.00 -1.49 -0.90 119.26 121.69 1yau h ALA 78 Ca 0.03 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1yau h ALA 78 Cb 0.70 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1yau h ALA 78 CO 0.05 0.56 0.00 0.28 0.00 0.00 0.00 179.25 180.14 1yau h VAL 79 N 0.57 1.26 -0.30 0.00 2.07 -0.49 0.19 116.25 119.56 1yau h VAL 79 Ca 0.10 -1.14 -0.18 0.00 0.82 0.00 0.00 66.70 66.30 1yau h VAL 79 Cb 0.57 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1yau h VAL 79 CO 0.04 0.42 -0.52 0.00 0.02 0.00 0.00 177.57 177.52 1yau h ALA 80 N 1.03 0.51 -0.41 1.67 0.00 -1.18 -1.65 119.26 119.23 1yau h ALA 80 Ca 0.17 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1yau h ALA 80 Cb 0.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1yau h ALA 80 CO 0.03 0.68 0.12 1.15 0.00 0.00 0.00 179.25 181.23 1yau h THR 81 N 0.67 1.22 -0.07 0.00 2.02 -1.00 0.77 112.91 116.52 1yau h THR 81 Ca 0.02 -0.75 0.04 0.00 0.77 0.00 0.00 66.41 66.49 1yau h THR 81 Cb 1.12 0.93 -0.05 0.00 -1.74 0.00 0.00 68.15 68.41 1yau h THR 81 CO 0.12 0.26 -0.24 0.25 0.37 0.00 0.00 175.52 176.28 1yau h LEU 82 N 0.52 -0.74 -0.70 2.58 5.85 -0.84 0.31 115.31 122.30 1yau h LEU 82 Ca 0.13 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1yau h LEU 82 Cb 0.29 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1yau h LEU 82 CO -0.00 -0.30 0.38 -0.07 -0.34 0.00 0.00 178.44 178.11 1yau h LEU 83 N -0.34 0.88 -0.21 2.25 3.38 -1.08 -1.66 115.31 118.53 1yau h LEU 83 Ca 0.08 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1yau h LEU 83 Cb 0.46 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1yau h LEU 83 CO -0.26 0.72 0.10 -1.28 0.09 0.00 0.00 178.44 177.81 1yau h SER 84 N 0.96 0.14 -0.39 -0.43 0.87 -0.68 -1.45 113.55 112.58 1yau h SER 84 Ca 0.25 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.84 1yau h SER 84 Cb 0.05 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 1yau h SER 84 CO -0.04 0.11 0.22 0.78 -0.53 0.00 0.00 176.83 177.37 1yau h ASN 85 N 0.21 0.34 -0.74 6.23 2.35 -0.66 -2.29 115.58 121.02 1yau h ASN 85 Ca 0.09 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.89 1yau h ASN 85 Cb 0.03 -0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.29 1yau h ASN 85 CO -0.07 0.25 0.46 0.24 -1.65 0.00 0.00 177.43 176.66 1yau h MET 86 N 0.44 0.85 0.20 0.81 2.86 -0.87 -1.24 114.93 117.97 1yau h MET 86 Ca 0.16 -0.05 -0.32 0.00 -2.06 0.00 0.00 59.70 57.43 1yau h MET 86 Cb 0.03 -0.19 0.02 0.00 0.06 0.00 0.00 31.60 31.52 1yau h MET 86 CO -0.09 0.56 -1.47 -0.07 1.06 0.00 0.00 176.91 176.91 1yau h LEU 87 N 0.87 0.65 -0.77 1.22 3.38 -1.26 -3.20 115.31 116.20 1yau h LEU 87 Ca 0.31 -0.75 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 1yau h LEU 87 Cb 0.07 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1yau h LEU 87 CO -0.13 1.60 0.16 -1.13 0.09 0.00 0.00 178.44 179.02 1yau h ASN 88 N 0.11 1.03 -0.23 -0.43 -0.73 -1.39 -2.47 115.58 111.47 1yau h ASN 88 Ca -0.24 -0.22 0.07 0.00 1.87 0.00 0.00 56.30 57.78 1yau h ASN 88 Cb 2.09 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 40.40 1yau h ASN 88 CO 0.23 0.99 0.22 1.56 -0.37 0.00 0.00 177.43 180.06 1yau h GLN 89 N 1.03 0.00 -0.25 6.67 4.20 -1.21 -1.13 115.11 124.42 1yau h GLN 89 Ca 0.21 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.75 1yau h GLN 89 Cb 0.37 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.02 1yau h GLN 89 CO 0.00 0.00 -0.47 1.33 -0.67 0.00 0.00 178.83 179.02 1yau n VAL 90 N -3.97 2.38 0.25 -0.54 0.24 -0.97 -4.85 118.33 110.87 1yau n VAL 90 Ca 0.03 -3.38 0.11 0.00 -2.04 0.00 0.00 64.34 59.06 1yau n VAL 90 Cb 0.36 -0.48 0.67 0.00 -1.47 0.00 0.00 33.84 32.92 1yau n VAL 90 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1yau h LYS 91 N 1.29 0.00 0.00 7.34 2.10 -0.77 -0.90 116.57 125.63 1yau h LYS 91 Ca 0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.79 1yau h LYS 91 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1yau h LYS 91 CO 0.28 0.14 -0.54 0.66 -2.00 0.00 0.00 179.45 178.00 1yau n TYR 92 N -3.76 0.48 -3.18 0.07 4.02 -1.26 -3.93 117.16 109.60 1yau n TYR 92 Ca -0.02 0.14 -0.25 0.00 -0.01 0.00 0.00 57.90 57.76 1yau n TYR 92 Cb 0.25 -0.61 -0.06 0.00 -0.02 0.00 0.00 39.34 38.90 1yau n TYR 92 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1yau n MET 93 N -2.01 2.27 -1.74 -0.72 2.81 -0.40 -5.13 117.12 112.20 1yau n MET 93 Ca 0.04 -4.32 -0.32 0.00 -1.81 0.00 0.00 57.70 51.29 1yau n MET 93 Cb 0.42 -2.01 0.04 0.00 -0.71 0.00 0.00 33.22 30.96 1yau n MET 93 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1yau s PRO 94 N -2.63 3.01 -0.11 0.03 0.04 -0.83 -4.90 135.00 129.61 1yau s PRO 94 Ca 0.42 1.10 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 1yau s PRO 94 Cb 0.23 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 1yau s PRO 94 CO -0.08 -1.05 1.41 0.71 0.04 0.00 0.00 177.00 178.03 1yau s TYR 95 N -2.76 2.56 -1.27 0.56 1.51 -1.26 -4.95 117.35 111.73 1yau s TYR 95 Ca 0.61 0.72 -0.13 0.00 -1.01 0.00 0.00 57.07 57.26 1yau s TYR 95 Cb -0.15 -3.66 0.14 0.00 -0.11 0.00 0.00 41.96 38.18 1yau s TYR 95 CO 0.47 -2.49 1.70 -1.33 -1.11 0.00 0.00 175.55 172.79 1yau n MET 96 N 6.65 3.38 -4.03 -0.62 2.81 -1.26 -4.63 117.12 119.41 1yau n MET 96 Ca 0.15 -3.54 -0.09 0.00 -1.81 0.00 0.00 57.70 52.41 1yau n MET 96 Cb 0.44 -3.09 -0.09 0.00 -0.71 0.00 0.00 33.22 29.77 1yau n MET 96 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1yau s VAL 97 N 1.72 0.13 -0.04 2.03 -7.23 -1.26 -0.85 120.40 114.90 1yau s VAL 97 Ca 0.44 -1.62 0.05 0.00 -1.81 0.00 0.00 61.98 59.03 1yau s VAL 97 Cb 0.04 -1.73 -0.01 0.00 0.56 0.00 0.00 36.38 35.25 1yau s VAL 97 CO 0.01 -0.60 -0.18 -1.10 -0.31 0.00 0.00 175.10 172.91 1yau s GLN 98 N -3.96 1.81 0.05 4.82 -0.21 -0.91 -3.04 119.66 118.21 1yau s GLN 98 Ca 0.14 -0.65 0.07 0.00 0.02 0.00 0.00 55.36 54.95 1yau s GLN 98 Cb 0.06 -1.59 -0.03 0.00 1.00 0.00 0.00 33.01 32.45 1yau s GLN 98 CO -0.04 0.29 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.71 1yau s LEU 99 N -0.07 2.19 -0.07 2.90 1.43 -0.04 -2.18 118.68 122.84 1yau s LEU 99 Ca -0.02 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.57 1yau s LEU 99 Cb -0.11 -0.89 -0.02 0.00 0.03 0.00 0.00 46.19 45.20 1yau s LEU 99 CO 0.02 0.12 -0.13 -0.76 0.23 0.00 0.00 176.35 175.83 1yau s LEU 100 N -1.28 2.78 -0.10 1.79 1.43 -0.86 -1.49 118.68 120.95 1yau s LEU 100 Ca 0.06 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1yau s LEU 100 Cb -0.09 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.57 1yau s LEU 100 CO 0.02 0.31 -0.16 -0.69 0.23 0.00 0.00 176.35 176.07 1yau s VAL 101 N -0.54 1.48 0.03 -1.59 1.01 -0.22 -1.01 120.40 119.56 1yau s VAL 101 Ca 0.07 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1yau s VAL 101 Cb -0.12 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 1yau s VAL 101 CO 0.01 0.44 -0.07 -0.83 0.00 0.00 0.00 175.10 174.65 1yau s GLY 102 N 0.82 0.45 0.00 4.51 0.00 -0.48 -0.57 107.32 112.05 1yau s GLY 102 Ca -0.10 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 43.95 1yau s GLY 102 CO 0.01 -0.70 0.00 0.61 0.00 0.00 0.00 173.10 173.02 1yau n GLY 103 N 1.72 -1.65 3.15 0.20 0.00 -0.66 -0.11 105.19 107.84 1yau n GLY 103 Ca -0.21 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 1yau n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yau s ILE 104 N -2.11 2.03 0.00 -0.61 -1.09 -1.02 0.04 121.20 118.45 1yau s ILE 104 Ca 0.00 -0.95 0.00 0.00 -2.23 0.00 0.00 60.65 57.47 1yau s ILE 104 Cb 0.00 -1.81 0.00 0.00 -1.58 0.00 0.00 42.46 39.07 1yau s ILE 104 CO 0.00 0.54 0.00 -0.90 -1.23 0.00 0.00 174.94 173.35 1yau n ASP 105 N 4.23 0.00 0.05 3.58 5.68 -1.26 -4.84 116.55 123.99 1yau n ASP 105 Ca -0.20 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.21 1yau n ASP 105 Cb 0.51 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.68 1yau n ASP 105 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1yau n THR 106 N 0.00 0.32 -3.80 2.12 -2.24 -1.26 -4.95 114.28 104.47 1yau n THR 106 Ca 0.00 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.44 1yau n THR 106 Cb 0.00 -0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 68.07 1yau n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yau s ALA 107 N -3.15 -0.48 0.40 6.98 0.00 -1.26 -5.16 121.76 119.09 1yau s ALA 107 Ca 0.07 -0.46 -0.24 0.00 0.00 0.00 0.00 51.96 51.33 1yau s ALA 107 Cb 0.14 0.69 -0.09 0.00 0.00 0.00 0.00 23.12 23.85 1yau s ALA 107 CO 0.72 -0.62 1.03 -1.25 0.00 0.00 0.00 175.76 175.63 1yau s PRO 108 N -3.87 4.18 -0.07 0.00 0.05 -1.26 -4.23 135.00 129.79 1yau s PRO 108 Ca 0.08 1.45 -0.07 0.00 0.05 0.00 0.00 61.00 62.51 1yau s PRO 108 Cb 0.03 -2.50 0.02 0.00 0.05 0.00 0.00 34.50 32.10 1yau s PRO 108 CO -0.08 -0.12 0.19 -1.01 0.05 0.00 0.00 177.00 176.04 1yau s HIS 109 N -1.73 -0.21 -0.12 0.56 3.76 0.11 -4.97 115.29 112.69 1yau s HIS 109 Ca 0.58 0.53 0.03 0.00 -0.15 0.00 0.00 55.06 56.05 1yau s HIS 109 Cb -0.20 0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.56 1yau s HIS 109 CO 0.25 -0.11 -0.23 0.08 -0.85 0.00 0.00 174.74 173.89 1yau s VAL 110 N 0.14 2.02 0.01 -0.90 1.01 -1.26 -1.65 120.40 119.77 1yau s VAL 110 Ca -0.00 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.07 1yau s VAL 110 Cb -0.02 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1yau s VAL 110 CO 0.00 0.55 -0.23 -0.36 0.00 0.00 0.00 175.10 175.06 1yau s PHE 111 N 0.56 2.43 -0.19 5.22 0.40 0.27 -1.74 117.98 124.93 1yau s PHE 111 Ca -0.14 -0.35 -0.00 0.00 -0.60 0.00 0.00 56.93 55.84 1yau s PHE 111 Cb -0.17 -1.47 0.01 0.00 0.51 0.00 0.00 43.02 41.90 1yau s PHE 111 CO 0.04 0.12 -0.15 0.45 0.70 0.00 0.00 175.22 176.38 1yau s SER 112 N -1.04 3.52 -0.14 1.36 0.15 -0.52 -1.06 113.70 115.97 1yau s SER 112 Ca 0.12 -0.56 0.02 0.00 0.70 0.00 0.00 55.95 56.23 1yau s SER 112 Cb -0.10 -1.56 0.01 0.00 -1.71 0.00 0.00 66.02 62.65 1yau s SER 112 CO 0.02 0.00 -0.21 -0.63 1.20 0.00 0.00 173.24 173.62 1yau s ILE 113 N 1.29 2.16 0.64 6.45 1.09 -0.56 -1.45 121.20 130.82 1yau s ILE 113 Ca 0.04 -0.95 0.04 0.00 -1.10 0.00 0.00 60.65 58.69 1yau s ILE 113 Cb -0.14 -1.87 0.10 0.00 -1.06 0.00 0.00 42.46 39.50 1yau s ILE 113 CO -0.09 0.54 0.88 1.51 -0.10 0.00 0.00 174.94 177.69 1yau s ASP 114 N 0.80 4.76 0.20 3.58 1.47 -0.04 -0.86 116.67 126.58 1yau s ASP 114 Ca -0.07 -0.58 0.24 0.00 1.18 0.00 0.00 52.55 53.31 1yau s ASP 114 Cb -0.16 0.09 0.91 0.00 -0.34 0.00 0.00 42.92 43.42 1yau s ASP 114 CO -0.01 -1.57 1.72 0.00 0.68 0.00 0.00 175.17 175.98 1yau n ALA 115 N -2.52 1.87 0.27 2.11 0.00 -1.17 -1.25 120.51 119.82 1yau n ALA 115 Ca 0.15 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.73 1yau n ALA 115 Cb 0.61 -1.40 0.26 0.00 0.00 0.00 0.00 19.45 18.92 1yau n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yau n ALA 116 N -1.73 2.42 -0.64 0.00 0.00 -1.26 -4.60 120.51 114.69 1yau n ALA 116 Ca 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1yau n ALA 116 Cb 0.28 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1yau n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yau n GLY 117 N 1.48 0.68 3.69 0.00 0.00 -0.38 -3.84 105.19 106.82 1yau n GLY 117 Ca 0.20 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1yau n GLY 117 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yau s GLY 118 N -2.01 2.10 -0.09 -0.02 0.00 -1.26 -4.55 107.32 101.50 1yau s GLY 118 Ca 0.00 0.68 0.01 0.00 0.00 0.00 0.00 44.72 45.41 1yau s GLY 118 CO 0.00 2.23 -0.11 -0.45 0.00 0.00 0.00 173.10 174.77 1yau s SER 119 N 1.49 1.99 -0.04 1.64 0.15 -1.26 -0.87 113.70 116.80 1yau s SER 119 Ca 0.57 -0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.92 1yau s SER 119 Cb -0.26 -0.86 0.02 0.00 -1.71 0.00 0.00 66.02 63.21 1yau s SER 119 CO 0.23 -0.02 -0.06 -0.69 1.20 0.00 0.00 173.24 173.90 1yau s VAL 120 N 1.07 0.63 0.34 4.45 1.01 -0.53 -4.97 120.40 122.40 1yau s VAL 120 Ca -0.07 -0.19 -0.26 0.00 0.00 0.00 0.00 61.98 61.46 1yau s VAL 120 Cb -0.15 -0.62 -0.09 0.00 0.00 0.00 0.00 36.38 35.52 1yau s VAL 120 CO -0.01 0.24 1.01 -0.70 0.00 0.00 0.00 175.10 175.64 1yau s GLU 121 N 0.76 4.45 0.25 2.72 2.12 -1.26 -1.44 118.70 126.30 1yau s GLU 121 Ca -0.11 1.49 -0.13 0.00 0.36 0.00 0.00 54.97 56.58 1yau s GLU 121 Cb -0.14 -2.80 -0.00 0.00 0.26 0.00 0.00 34.13 31.45 1yau s GLU 121 CO 0.01 0.12 0.50 0.34 -0.54 0.00 0.00 175.26 175.69 1yau s ASP 122 N -1.44 -0.09 0.17 -1.70 -1.08 -0.71 -4.99 116.67 106.83 1yau s ASP 122 Ca 0.52 -0.91 0.02 0.00 -0.52 0.00 0.00 52.55 51.65 1yau s ASP 122 Cb -0.23 0.60 0.01 0.00 -1.46 0.00 0.00 42.92 41.84 1yau s ASP 122 CO 0.29 -1.17 1.39 0.16 0.52 0.00 0.00 175.17 176.35 1yau h ILE 123 N 2.22 1.48 -3.98 4.11 3.07 -1.95 -3.35 117.51 119.12 1yau h ILE 123 Ca -0.25 -2.57 -0.11 0.00 1.55 0.00 0.00 64.86 63.48 1yau h ILE 123 Cb 1.25 2.43 -0.14 0.00 -0.27 0.00 0.00 36.82 40.09 1yau h ILE 123 CO 0.34 0.75 -0.46 -0.72 -1.05 0.00 0.00 178.15 177.01 1yau s TYR 124 N -3.25 0.34 0.17 0.16 -0.85 -1.26 0.50 117.35 113.17 1yau s TYR 124 Ca -0.03 -0.79 -0.23 0.00 -0.52 0.00 0.00 57.07 55.50 1yau s TYR 124 Cb 0.10 -0.18 0.06 0.00 0.38 0.00 0.00 41.96 42.33 1yau s TYR 124 CO 0.83 -0.53 0.66 0.00 -1.52 0.00 0.00 175.55 174.99 1yau s ALA 125 N -3.91 -1.54 0.01 9.51 0.00 -0.26 -5.00 121.76 120.56 1yau s ALA 125 Ca 0.09 0.36 -0.07 0.00 0.00 0.00 0.00 51.96 52.34 1yau s ALA 125 Cb 0.06 0.83 -0.00 0.00 0.00 0.00 0.00 23.12 24.01 1yau s ALA 125 CO -0.08 -0.83 0.13 0.45 0.00 0.00 0.00 175.76 175.43 1yau s SER 126 N -2.77 0.04 0.18 0.00 0.15 -1.26 -1.05 113.70 109.00 1yau s SER 126 Ca 0.04 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.46 1yau s SER 126 Cb -0.02 0.20 -0.05 0.00 -1.71 0.00 0.00 66.02 64.44 1yau s SER 126 CO -0.08 -0.38 0.03 0.42 1.20 0.00 0.00 173.24 174.43 1yau s THR 127 N -1.44 0.55 0.00 6.45 -4.23 -0.41 -4.90 115.64 111.65 1yau s THR 127 Ca -0.15 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 1yau s THR 127 Cb -0.08 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1yau s THR 127 CO 0.01 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.33 1yau n GLY 128 N -0.26 0.43 0.30 3.99 0.00 -1.26 -1.19 105.19 107.20 1yau n GLY 128 Ca -0.05 -1.94 0.14 0.00 0.00 0.00 0.00 46.02 44.17 1yau n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1yau h SER 129 N 0.00 0.00 0.48 1.61 4.64 -1.74 -1.67 113.55 116.87 1yau h SER 129 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yau h SER 129 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1yau h SER 129 CO 0.00 0.00 -0.08 0.61 -0.87 0.00 0.00 176.83 176.49 1yau n GLY 130 N -1.44 -1.12 0.28 -0.77 0.00 0.37 -4.37 105.19 98.15 1yau n GLY 130 Ca -0.01 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 45.80 1yau n GLY 130 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1yau h SER 131 N 0.29 0.51 -0.65 1.61 4.64 -1.47 -3.01 113.55 115.47 1yau h SER 131 Ca 0.00 -0.07 0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1yau h SER 131 Cb 0.34 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 62.26 1yau h SER 131 CO 0.00 0.52 0.39 -0.65 -0.87 0.00 0.00 176.83 176.22 1yau h PRO 132 N 0.55 0.73 -0.73 4.77 0.11 -1.82 0.13 132.00 135.74 1yau h PRO 132 Ca 0.13 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.23 1yau h PRO 132 Cb 0.22 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 31.12 1yau h PRO 132 CO -0.00 0.49 0.45 0.74 -0.21 0.00 0.00 178.00 179.46 1yau h PHE 133 N 0.76 0.84 -0.54 0.65 0.04 -1.85 -1.66 116.94 115.16 1yau h PHE 133 Ca 0.27 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 61.05 1yau h PHE 133 Cb 0.07 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 1yau h PHE 133 CO -0.06 0.46 0.26 0.28 -0.60 0.00 0.00 178.31 178.65 1yau h VAL 134 N 0.86 1.20 -0.19 -0.55 2.07 -1.40 -2.66 116.25 115.57 1yau h VAL 134 Ca 0.30 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1yau h VAL 134 Cb 0.07 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1yau h VAL 134 CO -0.13 0.22 -0.02 1.88 0.02 0.00 0.00 177.57 179.54 1yau h TYR 135 N 0.73 0.28 -0.06 1.57 0.05 -0.46 -0.30 116.97 118.78 1yau h TYR 135 Ca 0.19 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.95 1yau h TYR 135 Cb 0.11 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 37.77 1yau h TYR 135 CO -0.00 0.31 0.03 0.78 -1.05 0.00 0.00 178.16 178.22 1yau h GLY 136 N 0.59 0.08 0.94 3.88 0.00 -1.06 -1.22 103.07 106.28 1yau h GLY 136 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1yau h GLY 136 CO 0.01 0.04 0.14 -2.08 0.00 0.00 0.00 176.54 174.64 1yau h VAL 137 N -0.00 1.14 -0.40 4.60 2.07 -1.04 -2.86 116.25 119.76 1yau h VAL 137 Ca 0.02 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 1yau h VAL 137 Cb 0.09 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1yau h VAL 137 CO -0.00 0.14 0.06 -0.07 0.02 0.00 0.00 177.57 177.71 1yau h LEU 138 N 0.31 0.64 -1.16 2.57 3.38 -1.08 -0.71 115.31 119.26 1yau h LEU 138 Ca 0.09 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 57.89 1yau h LEU 138 Cb 0.09 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 1yau h LEU 138 CO -0.01 0.74 0.59 -0.33 0.09 0.00 0.00 178.44 179.52 1yau h GLU 139 N 0.51 0.90 0.00 1.13 4.39 -1.20 0.13 114.58 120.43 1yau h GLU 139 Ca 0.12 -0.05 -0.19 0.00 0.34 0.00 0.00 59.36 59.57 1yau h GLU 139 Cb 0.38 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1yau h GLU 139 CO 0.01 0.59 -1.10 1.03 -1.16 0.00 0.00 179.01 178.38 1yau h SER 140 N 0.92 0.00 0.00 1.42 0.87 -1.19 -3.41 113.55 112.16 1yau h SER 140 Ca 0.42 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1yau h SER 140 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1yau h SER 140 CO -0.19 0.80 0.00 0.00 -0.53 0.00 0.00 176.83 176.91 1yau n GLN 141 N -3.17 4.09 -2.53 2.24 6.02 -0.32 -5.04 117.38 118.67 1yau n GLN 141 Ca -0.05 -0.02 -0.39 0.00 -0.01 0.00 0.00 57.00 56.53 1yau n GLN 141 Cb 0.89 -0.35 -0.04 0.00 1.02 0.00 0.00 30.24 31.76 1yau n GLN 141 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1yau s TYR 142 N -0.59 3.57 -0.02 1.08 5.04 0.43 -5.02 117.35 121.86 1yau s TYR 142 Ca 0.00 1.72 0.00 0.00 -2.44 0.00 0.00 57.07 56.35 1yau s TYR 142 Cb 0.00 -3.21 0.02 0.00 0.35 0.00 0.00 41.96 39.12 1yau s TYR 142 CO 0.00 -0.42 -0.00 0.45 -1.34 0.00 0.00 175.55 174.24 1yau s SER 143 N -1.06 0.26 0.66 4.32 0.15 -1.26 -4.98 113.70 111.79 1yau s SER 143 Ca 0.47 -0.02 0.41 0.00 0.70 0.00 0.00 55.95 57.51 1yau s SER 143 Cb -0.29 -0.10 2.26 0.00 -1.71 0.00 0.00 66.02 66.18 1yau s SER 143 CO 0.37 -0.05 2.29 -0.08 1.20 0.00 0.00 173.24 176.97 1yau h GLU 144 N 6.75 0.00 -0.01 5.44 4.81 -1.96 -2.29 114.58 127.33 1yau h GLU 144 Ca -0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1yau h GLU 144 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1yau h GLU 144 CO 0.49 0.00 -0.26 1.63 -0.73 0.00 0.00 179.01 180.14 1yau n LYS 145 N -3.12 0.71 -1.64 1.92 5.02 -1.26 -4.25 118.16 115.54 1yau n LYS 145 Ca -0.03 -0.39 -0.38 0.00 -2.02 0.00 0.00 58.31 55.49 1yau n LYS 145 Cb 0.13 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.69 1yau n LYS 145 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1yau n MET 146 N -0.81 1.03 -2.31 1.97 2.81 -0.87 -5.02 117.12 113.93 1yau n MET 146 Ca 0.12 0.39 -0.25 0.00 -1.81 0.00 0.00 57.70 56.15 1yau n MET 146 Cb 0.34 -2.22 0.06 0.00 -0.71 0.00 0.00 33.22 30.68 1yau n MET 146 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1yau s THR 147 N -1.46 2.65 0.15 2.03 -4.23 -1.26 -4.71 115.64 108.80 1yau s THR 147 Ca 0.75 -0.26 -0.19 0.00 -1.18 0.00 0.00 61.69 60.80 1yau s THR 147 Cb -0.43 -3.11 0.03 0.00 1.34 0.00 0.00 72.50 70.34 1yau s THR 147 CO 0.48 -0.11 1.67 0.58 -0.54 0.00 0.00 174.62 176.70 1yau h VAL 148 N -0.41 0.62 -0.90 2.29 2.07 -1.98 0.65 116.25 118.58 1yau h VAL 148 Ca -0.44 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.12 1yau h VAL 148 Cb 1.30 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 1yau h VAL 148 CO 0.59 0.00 0.58 0.44 0.02 0.00 0.00 177.57 179.20 1yau h ASP 149 N -0.07 0.95 0.01 0.57 3.32 -1.99 0.85 116.42 120.05 1yau h ASP 149 Ca 0.14 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1yau h ASP 149 Cb 0.28 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1yau h ASP 149 CO -0.32 0.63 -0.00 -0.33 -1.72 0.00 0.00 179.24 177.50 1yau h GLU 150 N 1.10 -0.01 -0.84 3.56 5.08 -1.78 -2.35 114.58 119.34 1yau h GLU 150 Ca 0.37 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.80 1yau h GLU 150 Cb 0.07 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 1yau h GLU 150 CO -0.14 0.06 0.55 0.78 -1.00 0.00 0.00 179.01 179.26 1yau h GLY 151 N -0.08 1.19 1.02 -3.84 0.00 -0.38 0.63 103.07 101.61 1yau h GLY 151 Ca -0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 1yau h GLY 151 CO 0.00 0.27 0.08 -2.08 0.00 0.00 0.00 176.54 174.81 1yau h VAL 152 N 0.93 1.26 -0.53 4.60 2.07 -0.75 -2.09 116.25 121.74 1yau h VAL 152 Ca 0.36 -1.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 1yau h VAL 152 Cb 0.22 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1yau h VAL 152 CO -0.13 0.36 0.14 0.44 0.02 0.00 0.00 177.57 178.40 1yau h ASP 153 N 0.84 0.80 0.11 0.57 3.32 -0.74 -2.34 116.42 118.97 1yau h ASP 153 Ca 0.17 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 57.01 1yau h ASP 153 Cb 0.44 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1yau h ASP 153 CO 0.01 0.81 -0.23 0.25 -1.72 0.00 0.00 179.24 178.37 1yau h LEU 154 N 0.74 -0.66 -1.27 1.55 5.85 -0.70 -0.25 115.31 120.58 1yau h LEU 154 Ca 0.17 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.89 1yau h LEU 154 Cb 0.32 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1yau h LEU 154 CO 0.00 -0.32 -0.33 -0.37 -0.34 0.00 0.00 178.44 177.08 1yau h VAL 155 N -0.42 1.25 -0.29 1.05 -1.51 -1.32 0.24 116.25 115.24 1yau h VAL 155 Ca 0.03 -1.20 -0.04 0.00 -1.23 0.00 0.00 66.70 64.26 1yau h VAL 155 Cb 0.45 1.61 -0.01 0.00 -2.13 0.00 0.00 31.29 31.21 1yau h VAL 155 CO -0.14 0.35 0.03 0.40 -1.23 0.00 0.00 177.57 176.97 1yau h ILE 156 N 0.05 1.24 -0.11 7.19 2.04 -1.25 -0.98 117.51 125.70 1yau h ILE 156 Ca 0.00 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.03 1yau h ILE 156 Cb 0.62 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1yau h ILE 156 CO 0.05 0.28 -0.05 0.03 0.00 0.00 0.00 178.15 178.45 1yau h ARG 157 N 0.31 -0.04 -0.02 2.37 3.08 0.16 -0.70 114.38 119.54 1yau h ARG 157 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1yau h ARG 157 Cb 0.38 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1yau h ARG 157 CO 0.01 -0.03 -0.01 0.00 -1.07 0.00 0.00 179.97 178.87 1yau h ALA 158 N 1.06 0.01 -0.26 0.04 0.00 -0.51 0.46 119.26 120.05 1yau h ALA 158 Ca 0.06 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1yau h ALA 158 Cb 0.13 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1yau h ALA 158 CO -0.14 -0.50 -0.32 0.82 0.00 0.00 0.00 179.25 179.11 1yau h ILE 159 N -0.01 1.28 -0.55 0.00 2.04 -1.15 -1.89 117.51 117.23 1yau h ILE 159 Ca 0.01 -1.42 -0.02 0.00 1.00 0.00 0.00 64.86 64.43 1yau h ILE 159 Cb 0.02 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1yau h ILE 159 CO -0.02 0.45 0.25 0.28 0.00 0.00 0.00 178.15 179.11 1yau h SER 160 N 0.47 0.73 -0.15 1.72 0.02 -0.74 0.09 113.55 115.69 1yau h SER 160 Ca 0.06 -0.14 0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1yau h SER 160 Cb 0.79 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1yau h SER 160 CO 0.06 0.67 0.01 0.00 -1.14 0.00 0.00 176.83 176.43 1yau h ALA 161 N 1.09 0.14 -0.55 3.77 0.00 -0.80 -2.66 119.26 120.24 1yau h ALA 161 Ca 0.19 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1yau h ALA 161 Cb 0.14 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1yau h ALA 161 CO -0.02 -0.44 0.30 0.00 0.00 0.00 0.00 179.25 179.10 1yau h ALA 162 N 1.12 0.72 -0.77 0.00 0.00 -1.12 -1.96 119.26 117.24 1yau h ALA 162 Ca 0.07 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.11 1yau h ALA 162 Cb 0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1yau h ALA 162 CO -0.11 -0.02 0.51 0.87 0.00 0.00 0.00 179.25 180.51 1yau h LYS 163 N 0.59 0.54 -0.06 0.00 1.57 -0.89 0.57 116.57 118.90 1yau h LYS 163 Ca 0.24 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.86 1yau h LYS 163 Cb 0.11 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1yau h LYS 163 CO -0.14 0.36 -0.54 1.96 -0.57 0.00 0.00 179.45 180.52 1yau h GLN 164 N 0.56 0.17 -0.00 3.15 1.08 -1.00 -3.34 115.11 115.73 1yau h GLN 164 Ca 0.37 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 1yau h GLN 164 Cb 0.67 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 1yau h GLN 164 CO -0.14 0.66 -0.20 0.54 -0.95 0.00 0.00 178.83 178.74 1yau n ARG 165 N -3.91 3.10 -4.00 1.46 5.12 -0.81 -4.91 116.66 112.71 1yau n ARG 165 Ca -0.02 -0.34 -0.31 0.00 -1.93 0.00 0.00 57.85 55.25 1yau n ARG 165 Cb 0.56 -0.93 -0.15 0.00 -1.16 0.00 0.00 32.46 30.78 1yau n ARG 165 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1yau s ASP 166 N -1.28 4.26 0.11 0.55 2.15 0.19 -4.98 116.67 117.68 1yau s ASP 166 Ca 0.05 -1.44 0.18 0.00 0.43 0.00 0.00 52.55 51.76 1yau s ASP 166 Cb 0.06 -1.40 0.76 0.00 -0.30 0.00 0.00 42.92 42.04 1yau s ASP 166 CO 0.21 -0.25 1.55 -1.54 -0.17 0.00 0.00 175.17 174.98 1yau n SER 167 N 4.51 0.29 -0.66 -0.34 3.41 -1.26 -1.49 113.62 118.07 1yau n SER 167 Ca -0.10 0.57 0.06 0.00 -0.26 0.00 0.00 58.87 59.15 1yau n SER 167 Cb 0.43 -0.63 0.19 0.00 -0.26 0.00 0.00 64.21 63.93 1yau n SER 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yau n ALA 168 N -1.62 2.45 -2.48 7.33 0.00 -1.26 -4.83 120.51 120.10 1yau n ALA 168 Ca 0.03 -0.62 -0.25 0.00 0.00 0.00 0.00 53.44 52.59 1yau n ALA 168 Cb 0.19 -0.98 -0.15 0.00 0.00 0.00 0.00 19.45 18.51 1yau n ALA 168 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1yau s SER 169 N -1.07 2.33 0.00 0.00 0.01 -0.56 -0.40 113.70 114.02 1yau s SER 169 Ca 0.25 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.07 1yau s SER 169 Cb 0.13 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1yau s SER 169 CO 0.18 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.62 1yau n GLY 170 N 2.16 0.56 1.12 3.44 0.00 -1.26 -4.73 105.19 106.48 1yau n GLY 170 Ca -0.16 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1yau n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yau n GLY 171 N -0.27 -2.73 3.77 -0.02 0.00 -1.26 -0.98 105.19 103.70 1yau n GLY 171 Ca 0.00 -1.70 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 1yau n GLY 171 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1yau s MET 172 N -0.76 4.12 0.04 1.61 -2.45 -1.26 -4.60 119.30 115.99 1yau s MET 172 Ca 0.00 2.35 -0.30 0.00 -1.25 0.00 0.00 55.69 56.49 1yau s MET 172 Cb 0.00 -2.93 -0.05 0.00 1.25 0.00 0.00 34.83 33.10 1yau s MET 172 CO 0.00 -0.43 1.12 0.42 1.05 0.00 0.00 175.02 177.17 1yau s ILE 173 N -1.16 4.35 -0.18 10.11 1.01 -1.26 -3.98 121.20 130.07 1yau s ILE 173 Ca 0.53 1.68 -0.07 0.00 0.00 0.00 0.00 60.65 62.80 1yau s ILE 173 Cb -0.42 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 1yau s ILE 173 CO 0.56 0.13 0.05 -1.81 0.00 0.00 0.00 174.94 173.86 1yau s ASP 174 N 1.05 5.43 -0.01 3.58 1.11 -0.15 -4.99 116.67 122.69 1yau s ASP 174 Ca 0.56 0.01 0.02 0.00 0.18 0.00 0.00 52.55 53.33 1yau s ASP 174 Cb -0.26 -1.93 -0.01 0.00 1.07 0.00 0.00 42.92 41.79 1yau s ASP 174 CO 0.29 0.15 -0.08 -0.69 1.18 0.00 0.00 175.17 176.02 1yau s VAL 175 N 0.49 0.65 0.01 -1.27 1.01 -1.26 -1.82 120.40 118.21 1yau s VAL 175 Ca 0.02 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1yau s VAL 175 Cb -0.13 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 1yau s VAL 175 CO 0.01 0.18 -0.10 0.00 0.00 0.00 0.00 175.10 175.20 1yau s ALA 176 N -0.16 0.78 -0.08 5.51 0.00 -0.59 -0.91 121.76 126.31 1yau s ALA 176 Ca 0.03 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.51 1yau s ALA 176 Cb -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1yau s ALA 176 CO -0.00 0.16 -0.20 0.08 0.00 0.00 0.00 175.76 175.79 1yau s VAL 177 N -0.50 2.50 -0.15 0.00 1.01 0.25 -1.92 120.40 121.60 1yau s VAL 177 Ca 0.01 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1yau s VAL 177 Cb -0.05 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.37 1yau s VAL 177 CO 0.00 0.56 -0.21 -0.63 0.00 0.00 0.00 175.10 174.83 1yau s ILE 178 N -0.09 2.00 0.13 2.22 1.01 0.97 -0.66 121.20 126.78 1yau s ILE 178 Ca -0.04 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.68 1yau s ILE 178 Cb -0.14 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 1yau s ILE 178 CO 0.04 0.54 -0.00 0.42 0.00 0.00 0.00 174.94 175.94 1yau s THR 179 N 0.94 0.46 0.07 2.92 -4.23 -0.74 -1.13 115.64 113.93 1yau s THR 179 Ca -0.04 -1.93 -0.18 0.00 -1.18 0.00 0.00 61.69 58.36 1yau s THR 179 Cb -0.15 -1.93 -0.10 0.00 1.34 0.00 0.00 72.50 71.66 1yau s THR 179 CO -0.04 -0.62 1.43 -0.09 -0.54 0.00 0.00 174.62 174.75 1yau h ARG 180 N 2.86 0.49 -0.43 3.99 9.65 -1.86 0.10 114.38 129.18 1yau h ARG 180 Ca -0.36 -0.22 0.07 0.00 -1.10 0.00 0.00 59.98 58.38 1yau h ARG 180 Cb 1.19 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 29.69 1yau h ARG 180 CO 0.63 0.77 0.06 -0.22 2.80 0.00 0.00 179.97 184.01 1yau h LYS 181 N 0.20 0.18 -0.00 0.20 3.64 -1.97 -3.27 116.57 115.55 1yau h LYS 181 Ca 0.05 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1yau h LYS 181 Cb 0.63 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1yau h LYS 181 CO 0.04 0.12 -0.69 -0.25 -2.27 0.00 0.00 179.45 176.39 1yau n ASP 182 N -5.13 0.71 0.00 4.20 8.00 -1.24 -5.11 116.55 117.97 1yau n ASP 182 Ca 0.04 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.68 1yau n ASP 182 Cb 0.21 1.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.31 1yau n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yau n GLY 183 N 1.35 -0.29 3.65 0.44 0.00 0.35 -4.70 105.19 105.99 1yau n GLY 183 Ca 0.03 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 1yau n GLY 183 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1yau s TYR 184 N 0.00 3.33 -0.18 1.61 6.14 -1.20 -1.79 117.35 125.25 1yau s TYR 184 Ca 0.00 1.03 0.01 0.00 0.64 0.00 0.00 57.07 58.74 1yau s TYR 184 Cb 0.00 -2.94 0.04 0.00 0.42 0.00 0.00 41.96 39.48 1yau s TYR 184 CO 0.00 -0.31 -0.12 0.08 0.64 0.00 0.00 175.55 175.84 1yau s VAL 185 N 2.47 1.62 -0.33 3.14 1.01 0.17 -4.97 120.40 123.51 1yau s VAL 185 Ca 0.32 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 1yau s VAL 185 Cb -0.16 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.60 1yau s VAL 185 CO 0.09 0.27 1.17 -1.58 0.00 0.00 0.00 175.10 175.05 1yau s GLN 186 N 1.43 3.96 0.20 2.72 2.00 -1.26 -0.58 119.66 128.13 1yau s GLN 186 Ca 0.01 1.07 -0.30 0.00 -2.00 0.00 0.00 55.36 54.14 1yau s GLN 186 Cb -0.15 -3.82 -0.09 0.00 0.80 0.00 0.00 33.01 29.75 1yau s GLN 186 CO -0.09 -1.05 1.36 -0.51 -0.50 0.00 0.00 175.29 174.49 1yau s LEU 187 N 4.04 4.40 0.58 3.68 1.43 -0.09 -4.97 118.68 127.76 1yau s LEU 187 Ca 0.50 2.47 -0.20 0.00 -1.03 0.00 0.00 54.13 55.87 1yau s LEU 187 Cb -0.13 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 1yau s LEU 187 CO 0.21 -0.59 1.32 -2.84 0.23 0.00 0.00 176.35 174.67 1yau s PRO 188 N -0.05 2.96 0.14 1.29 0.02 -1.26 -4.68 135.00 133.43 1yau s PRO 188 Ca 0.58 2.13 -0.17 0.00 0.02 0.00 0.00 61.00 63.56 1yau s PRO 188 Cb -0.38 -2.10 -0.01 0.00 0.02 0.00 0.00 34.50 32.03 1yau s PRO 188 CO 0.39 -1.30 1.80 1.15 -0.33 0.00 0.00 177.00 178.71 1yau h THR 189 N 1.12 1.08 -0.80 0.99 2.02 -1.95 -2.27 112.91 113.11 1yau h THR 189 Ca -0.51 -0.16 0.14 0.00 0.77 0.00 0.00 66.41 66.66 1yau h THR 189 Cb 1.31 0.58 -0.09 0.00 -1.74 0.00 0.00 68.15 68.21 1yau h THR 189 CO 0.56 0.08 0.37 -2.24 0.37 0.00 0.00 175.52 174.66 1yau h ASP 190 N 0.46 0.41 -0.65 4.18 2.03 -1.99 0.12 116.42 120.98 1yau h ASP 190 Ca 0.13 0.10 -0.04 0.00 -0.73 0.00 0.00 57.03 56.48 1yau h ASP 190 Cb -0.05 0.04 -0.03 0.00 -0.83 0.00 0.00 39.33 38.46 1yau h ASP 190 CO -0.03 0.17 0.25 -0.61 -1.03 0.00 0.00 179.24 177.99 1yau h GLN 191 N 0.54 1.01 -0.15 4.15 4.15 -1.79 -1.34 115.11 121.67 1yau h GLN 191 Ca 0.44 -0.18 -0.04 0.00 0.77 0.00 0.00 58.65 59.64 1yau h GLN 191 Cb 0.63 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 1yau h GLN 191 CO -0.38 0.84 -0.04 0.82 -1.93 0.00 0.00 178.83 178.13 1yau h ILE 192 N 0.99 1.29 -0.98 2.39 2.04 -0.64 -2.47 117.51 120.13 1yau h ILE 192 Ca 0.23 -1.02 0.13 0.00 1.00 0.00 0.00 64.86 65.20 1yau h ILE 192 Cb 0.22 1.65 -0.09 0.00 -0.74 0.00 0.00 36.82 37.86 1yau h ILE 192 CO -0.02 0.30 0.60 -0.33 0.00 0.00 0.00 178.15 178.71 1yau h GLU 193 N -0.00 0.89 -0.78 2.37 5.08 -0.73 -0.84 114.58 120.57 1yau h GLU 193 Ca 0.04 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1yau h GLU 193 Cb 0.48 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1yau h GLU 193 CO 0.02 0.59 0.31 1.03 -1.00 0.00 0.00 179.01 179.95 1yau h SER 194 N 0.92 1.08 0.11 1.42 0.87 -1.20 0.12 113.55 116.86 1yau h SER 194 Ca 0.50 -0.17 -0.11 0.00 -1.23 0.00 0.00 61.79 60.77 1yau h SER 194 Cb 0.56 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1yau h SER 194 CO -0.29 0.96 -0.39 0.03 -0.53 0.00 0.00 176.83 176.60 1yau h ARG 195 N 1.13 0.37 -0.30 2.24 3.08 -0.88 0.32 114.38 120.35 1yau h ARG 195 Ca 0.26 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 1yau h ARG 195 Cb 0.22 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1yau h ARG 195 CO -0.02 0.71 -0.02 0.82 -1.07 0.00 0.00 179.97 180.39 1yau h ILE 196 N 0.31 1.26 0.43 2.04 2.04 -0.68 0.99 117.51 123.92 1yau h ILE 196 Ca 0.03 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 1yau h ILE 196 Cb 0.83 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 1yau h ILE 196 CO 0.07 0.32 -0.40 0.03 0.00 0.00 0.00 178.15 178.17 1yau h ARG 197 N 0.34 -0.79 -0.16 2.37 3.08 -0.70 -0.31 114.38 118.21 1yau h ARG 197 Ca 0.08 0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.22 1yau h ARG 197 Cb 0.47 0.18 -0.06 0.00 0.08 0.00 0.00 29.97 30.64 1yau h ARG 197 CO 0.02 -0.53 -0.53 -0.22 -1.07 0.00 0.00 179.97 177.65 1yau h LYS 198 N -0.82 -0.52 0.00 0.04 3.64 -0.30 -1.96 116.57 116.64 1yau h LYS 198 Ca -0.06 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1yau h LYS 198 Cb 0.70 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1yau h LYS 198 CO -0.03 -0.35 0.00 1.28 -2.27 0.00 0.00 179.45 178.08 1yau n LEU 199 N -5.31 0.48 -0.59 5.20 4.77 0.34 -4.87 117.00 117.02 1yau n LEU 199 Ca -0.06 0.68 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 1yau n LEU 199 Cb 0.36 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1yau n LEU 199 CO 0.07 -0.74 0.00 0.61 -1.33 0.00 0.00 177.39 176.01 1yau n GLY 200 N -0.88 0.68 0.00 -0.72 0.00 -0.74 -5.07 105.19 98.47 1yau n GLY 200 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1yau n GLY 200 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yau n LEU 201 N -0.59 0.00 -4.23 0.99 4.77 -0.19 -5.04 117.00 112.71 1yau n LEU 201 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 1yau n LEU 201 Cb 0.38 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.37 1yau n LEU 201 CO 0.00 -0.01 -0.20 0.27 -1.33 0.00 0.00 177.39 176.12 1yau s ILE 202 N -0.37 0.02 0.00 -0.08 -0.00 -1.26 -4.77 121.20 114.73 1yau s ILE 202 Ca 0.00 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.65 1yau s ILE 202 Cb 0.00 -2.50 0.00 0.00 -0.00 0.00 0.00 42.46 39.96 1yau s ILE 202 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 174.94 174.83