#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 0.61 0.05 12.58 2.01 -1.26 -0.83 115.64 128.81 1yau s THR 2 Ca 0.00 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 61.84 1yau s THR 2 Cb 0.00 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 1yau s THR 2 CO 0.00 0.24 -0.06 0.42 -0.69 0.00 0.00 174.62 174.53 1yau s THR 3 N 0.88 0.46 -0.07 -0.82 -4.23 -0.27 -2.43 115.64 109.16 1yau s THR 3 Ca -0.12 -1.29 -0.10 0.00 -1.18 0.00 0.00 61.69 59.01 1yau s THR 3 Cb -0.15 -0.84 0.02 0.00 1.34 0.00 0.00 72.50 72.87 1yau s THR 3 CO 0.01 -0.56 0.25 0.54 -0.54 0.00 0.00 174.62 174.31 1yau s VAL 4 N -2.08 0.02 -0.02 2.29 0.11 -0.10 -1.16 120.40 119.46 1yau s VAL 4 Ca -0.05 -0.19 0.01 0.00 -2.93 0.00 0.00 61.98 58.82 1yau s VAL 4 Cb -0.05 -0.42 0.01 0.00 -1.53 0.00 0.00 36.38 34.39 1yau s VAL 4 CO -0.02 -0.11 -0.05 -0.83 -3.33 0.00 0.00 175.10 170.77 1yau s GLY 5 N -0.36 0.36 0.05 6.54 0.00 0.00 -1.41 107.32 112.51 1yau s GLY 5 Ca -0.05 -0.12 0.03 0.00 0.00 0.00 0.00 44.72 44.58 1yau s GLY 5 CO 0.01 0.15 -0.10 -0.26 0.00 0.00 0.00 173.10 172.90 1yau s ILE 6 N 0.43 0.76 0.03 0.90 -4.36 -0.23 -1.17 121.20 117.56 1yau s ILE 6 Ca -0.05 -1.08 -0.00 0.00 -0.26 0.00 0.00 60.65 59.26 1yau s ILE 6 Cb -0.09 -0.77 -0.04 0.00 1.25 0.00 0.00 42.46 42.81 1yau s ILE 6 CO -0.00 -0.26 0.15 0.42 0.24 0.00 0.00 174.94 175.49 1yau s THR 7 N -1.20 5.09 0.12 8.37 -4.23 -0.15 -1.04 115.64 122.61 1yau s THR 7 Ca -0.06 -0.41 0.01 0.00 -1.18 0.00 0.00 61.69 60.05 1yau s THR 7 Cb -0.09 -3.42 -0.00 0.00 1.34 0.00 0.00 72.50 70.32 1yau s THR 7 CO 0.01 0.23 0.03 0.18 -0.54 0.00 0.00 174.62 174.53 1yau n LEU 8 N 0.67 0.00 -0.08 4.79 4.77 0.04 -4.93 117.00 122.26 1yau n LEU 8 Ca -0.09 -0.90 -0.07 0.00 -0.03 0.00 0.00 56.01 54.92 1yau n LEU 8 Cb 0.52 0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.85 1yau n LEU 8 CO 0.45 -0.14 0.70 0.11 -1.33 0.00 0.00 177.39 177.18 1yau h LYS 9 N 0.00 -0.20 -0.15 3.23 1.57 -1.82 -3.22 116.57 115.98 1yau h LYS 9 Ca -0.10 0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.50 1yau h LYS 9 Cb 0.35 0.05 -0.36 0.00 0.08 0.00 0.00 32.23 32.35 1yau h LYS 9 CO 0.16 -0.14 -1.01 -0.25 -0.57 0.00 0.00 179.45 177.65 1yau n ASP 10 N -5.38 1.37 -3.99 0.86 10.43 -1.26 -4.70 116.55 113.89 1yau n ASP 10 Ca 0.00 -2.24 -0.09 0.00 2.57 0.00 0.00 54.79 55.03 1yau n ASP 10 Cb 0.30 -0.37 -0.11 0.00 1.84 0.00 0.00 41.12 42.78 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 -1.46 0.14 -0.08 2.24 0.00 -1.22 -4.54 121.76 116.84 1yau s ALA 11 Ca 0.33 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.67 1yau s ALA 11 Cb 0.37 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 1yau s ALA 11 CO -0.12 -0.22 -0.21 0.08 0.00 0.00 0.00 175.76 175.29 1yau s VAL 12 N -2.02 2.40 -0.15 0.00 1.01 -0.83 -0.78 120.40 120.02 1yau s VAL 12 Ca -0.11 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 1yau s VAL 12 Cb -0.06 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 1yau s VAL 12 CO -0.03 0.56 -0.12 -0.63 0.00 0.00 0.00 175.10 174.88 1yau s ILE 13 N -0.04 3.00 0.05 2.22 1.01 -0.20 -0.20 121.20 127.04 1yau s ILE 13 Ca -0.06 -0.66 0.08 0.00 0.00 0.00 0.00 60.65 60.01 1yau s ILE 13 Cb -0.15 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 1yau s ILE 13 CO 0.05 0.51 -0.24 -0.04 0.00 0.00 0.00 174.94 175.21 1yau s MET 14 N 0.67 1.60 -0.04 2.79 -1.94 -0.61 -1.07 119.30 120.70 1yau s MET 14 Ca -0.06 -1.03 -0.23 0.00 -1.71 0.00 0.00 55.69 52.65 1yau s MET 14 Cb -0.15 -1.76 0.05 0.00 2.01 0.00 0.00 34.83 34.98 1yau s MET 14 CO 0.02 0.45 0.51 0.00 -0.01 0.00 0.00 175.02 176.00 1yau s ALA 15 N -0.80 -1.32 0.16 3.03 0.00 -0.50 -0.51 121.76 121.81 1yau s ALA 15 Ca 0.10 0.91 -0.04 0.00 0.00 0.00 0.00 51.96 52.93 1yau s ALA 15 Cb -0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 1yau s ALA 15 CO 0.02 -0.32 0.15 0.95 0.00 0.00 0.00 175.76 176.56 1yau s THR 16 N -1.17 0.07 0.00 0.00 -4.23 -0.73 -0.92 115.64 108.67 1yau s THR 16 Ca -0.11 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 1yau s THR 16 Cb -0.02 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.75 1yau s THR 16 CO 0.07 -0.33 0.00 -1.84 -0.54 0.00 0.00 174.62 171.98 1yau n GLU 17 N -0.17 1.96 0.00 3.99 -0.00 -1.02 -1.05 120.64 124.36 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 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.08 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 -0.35 0.00 -2.69 3.44 1.74 -0.76 -4.58 116.66 113.46 1yau n ARG 18 Ca 0.00 -0.46 -0.41 0.00 -0.77 0.00 0.00 57.85 56.21 1yau n ARG 18 Cb 0.00 -0.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.92 1yau n ARG 18 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1yau s ARG 19 N 0.00 4.63 -0.22 5.56 3.52 -0.93 0.05 118.95 131.56 1yau s ARG 19 Ca 0.00 1.48 0.02 0.00 -0.13 0.00 0.00 55.73 57.10 1yau s ARG 19 Cb 0.00 -3.39 0.04 0.00 -1.56 0.00 0.00 34.95 30.04 1yau s ARG 19 CO 0.00 0.10 -0.15 0.08 -0.81 0.00 0.00 175.30 174.52 1yau s VAL 20 N 0.34 2.07 0.09 7.11 1.01 0.24 -4.71 120.40 126.55 1yau s VAL 20 Ca 0.49 -1.29 0.06 0.00 0.00 0.00 0.00 61.98 61.25 1yau s VAL 20 Cb -0.23 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1yau s VAL 20 CO 0.30 0.23 -0.06 0.42 0.00 0.00 0.00 175.10 175.99 1yau s THR 21 N 1.21 3.65 -0.54 3.92 -4.23 -1.26 -1.20 115.64 117.19 1yau s THR 21 Ca -0.02 -1.12 -0.10 0.00 -1.18 0.00 0.00 61.69 59.26 1yau s THR 21 Cb -0.17 -2.71 0.14 0.00 1.34 0.00 0.00 72.50 71.10 1yau s THR 21 CO -0.09 0.14 0.43 -0.32 -0.54 0.00 0.00 174.62 174.24 1yau s MET 22 N -2.19 2.70 6.58 3.99 -2.45 -0.30 -4.90 119.30 122.72 1yau s MET 22 Ca 0.23 -1.91 0.00 0.00 -1.25 0.00 0.00 55.69 52.76 1yau s MET 22 Cb -0.11 -4.03 0.00 0.00 1.25 0.00 0.00 34.83 31.94 1yau s MET 22 CO 0.15 -1.23 0.00 0.39 1.05 0.00 0.00 175.02 175.38 1yau n GLU 23 N 4.73 0.00 0.07 4.11 1.02 -1.26 -2.23 120.64 127.09 1yau n GLU 23 Ca -0.05 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.22 1yau n GLU 23 Cb 0.41 0.00 0.33 0.00 -0.02 0.00 0.00 31.44 32.16 1yau n GLU 23 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1yau n ASN 24 N 9.24 0.69 -4.61 1.62 0.23 -1.26 -4.85 115.26 116.33 1yau n ASN 24 Ca 0.00 0.37 -0.43 0.00 -0.53 0.00 0.00 54.58 53.99 1yau n ASN 24 Cb 0.00 -0.38 -0.03 0.00 -2.08 0.00 0.00 39.78 37.29 1yau n ASN 24 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1yau s PHE 25 N -3.11 2.98 -0.90 -2.53 2.19 -0.94 -4.98 117.98 110.69 1yau s PHE 25 Ca 0.09 0.80 -0.22 0.00 0.33 0.00 0.00 56.93 57.93 1yau s PHE 25 Cb 0.14 -3.99 0.07 0.00 -1.31 0.00 0.00 43.02 37.92 1yau s PHE 25 CO 0.64 -1.01 1.26 0.42 1.83 0.00 0.00 175.22 178.36 1yau s ILE 26 N 3.92 4.17 0.02 3.12 1.01 -1.26 -1.15 121.20 131.02 1yau s ILE 26 Ca 0.43 -0.74 -0.20 0.00 0.00 0.00 0.00 60.65 60.14 1yau s ILE 26 Cb -0.10 -4.90 -0.18 0.00 0.01 0.00 0.00 42.46 37.29 1yau s ILE 26 CO 0.24 -1.73 1.23 0.24 0.00 0.00 0.00 174.94 174.91 1yau h MET 27 N 9.53 0.38 -4.14 2.79 2.86 -1.50 -3.45 114.93 121.41 1yau h MET 27 Ca 0.04 -0.28 -0.48 0.00 -2.06 0.00 0.00 59.70 56.92 1yau h MET 27 Cb 1.03 0.05 -0.36 0.00 0.06 0.00 0.00 31.60 32.38 1yau h MET 27 CO 1.28 0.90 -0.79 -1.01 1.06 0.00 0.00 176.91 178.35 1yau s HIS 28 N -3.80 1.13 -0.27 -0.22 3.76 -0.82 -5.00 115.29 110.05 1yau s HIS 28 Ca -0.14 -0.45 0.20 0.00 -0.15 0.00 0.00 55.06 54.53 1yau s HIS 28 Cb 0.04 -0.97 0.12 0.00 1.11 0.00 0.00 32.58 32.89 1yau s HIS 28 CO 0.78 -0.34 1.31 0.87 -0.85 0.00 0.00 174.74 176.51 1yau h LYS 29 N 7.69 0.00 -2.10 1.40 1.57 -1.86 0.71 116.57 123.97 1yau h LYS 29 Ca -0.30 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.90 1yau h LYS 29 Cb 1.15 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.05 1yau h LYS 29 CO 0.41 0.16 -0.84 0.09 -0.57 0.00 0.00 179.45 178.70 1yau n ASN 30 N -2.99 2.09 -4.92 0.86 3.02 -1.24 -4.14 115.26 107.94 1yau n ASN 30 Ca 0.01 -3.10 -0.26 0.00 -0.03 0.00 0.00 54.58 51.19 1yau n ASN 30 Cb 0.63 -0.65 0.07 0.00 -0.61 0.00 0.00 39.78 39.22 1yau n ASN 30 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1yau s GLY 31 N -1.92 1.67 -0.12 7.41 0.00 0.11 -5.03 107.32 109.43 1yau s GLY 31 Ca 0.38 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 44.23 1yau s GLY 31 CO -0.06 -0.46 -0.15 1.25 0.00 0.00 0.00 173.10 173.68 1yau s LYS 32 N -5.30 3.28 0.00 2.90 2.20 -1.26 -4.48 119.74 117.07 1yau s LYS 32 Ca 0.60 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 55.49 1yau s LYS 32 Cb -0.11 -2.55 0.00 0.00 -1.51 0.00 0.00 37.83 33.66 1yau s LYS 32 CO 0.45 0.22 0.40 1.63 -0.36 0.00 0.00 175.35 177.70 1yau n LYS 33 N 3.47 -0.04 -4.62 4.03 5.02 -1.26 -4.99 118.16 119.77 1yau n LYS 33 Ca -0.18 -0.46 -0.29 0.00 -2.02 0.00 0.00 58.31 55.36 1yau n LYS 33 Cb 0.53 -0.78 -0.17 0.00 -0.02 0.00 0.00 35.03 34.59 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 -0.13 1.79 -0.01 -0.35 2.96 -1.26 -0.95 118.68 120.73 1yau s LEU 34 Ca 0.00 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1yau s LEU 34 Cb 0.00 -1.11 0.00 0.00 0.50 0.00 0.00 46.19 45.58 1yau s LEU 34 CO 0.00 0.05 0.03 -0.36 -1.32 0.00 0.00 176.35 174.75 1yau s PHE 35 N 0.80 -0.00 -0.02 5.38 0.08 0.16 -4.97 117.98 119.40 1yau s PHE 35 Ca -0.10 0.02 -0.28 0.00 0.12 0.00 0.00 56.93 56.68 1yau s PHE 35 Cb -0.16 -0.01 -0.03 0.00 -0.57 0.00 0.00 43.02 42.25 1yau s PHE 35 CO 0.01 -0.04 0.91 -1.14 -0.10 0.00 0.00 175.22 174.86 1yau s GLN 36 N -0.18 4.53 0.00 0.44 0.74 -1.26 -0.08 119.66 123.84 1yau s GLN 36 Ca -0.02 1.29 0.00 0.00 0.05 0.00 0.00 55.36 56.68 1yau s GLN 36 Cb -0.02 -3.46 0.00 0.00 1.10 0.00 0.00 33.01 30.63 1yau s GLN 36 CO -0.00 -0.03 0.00 0.44 -0.55 0.00 0.00 175.29 175.15 1yau n ILE 37 N 3.89 0.00 -3.97 -2.34 -5.35 -0.50 -4.93 119.36 106.17 1yau n ILE 37 Ca 0.04 -0.19 -0.12 0.00 -0.27 0.00 0.00 62.75 62.22 1yau n ILE 37 Cb 0.51 0.69 -0.02 0.00 -1.74 0.00 0.00 39.64 39.08 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 -1.62 0.45 0.20 7.28 2.15 -1.02 -4.49 116.67 119.61 1yau s ASP 38 Ca 0.00 -1.28 -0.10 0.00 0.43 0.00 0.00 52.55 51.60 1yau s ASP 38 Cb 0.00 0.73 0.24 0.00 -0.30 0.00 0.00 42.92 43.60 1yau s ASP 38 CO 0.00 -1.44 1.75 0.74 -0.17 0.00 0.00 175.17 176.05 1yau h THR 39 N 2.08 0.80 -0.21 1.71 2.02 -1.97 -2.48 112.91 114.85 1yau h THR 39 Ca -0.29 -0.14 -0.14 0.00 0.77 0.00 0.00 66.41 66.61 1yau h THR 39 Cb 1.24 0.36 -0.10 0.00 -1.74 0.00 0.00 68.15 67.91 1yau h THR 39 CO 0.39 0.07 -0.48 -1.22 0.37 0.00 0.00 175.52 174.65 1yau n TYR 40 N -4.99 0.73 -4.07 3.16 4.01 -1.26 -2.69 117.16 112.06 1yau n TYR 40 Ca 0.08 -1.68 -0.18 0.00 -0.16 0.00 0.00 57.90 55.96 1yau n TYR 40 Cb 0.25 -0.32 -0.16 0.00 -0.31 0.00 0.00 39.34 38.80 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 -3.53 0.37 0.22 -0.72 2.01 -0.94 -1.97 115.64 111.08 1yau s THR 41 Ca 0.42 -0.05 0.09 0.00 0.31 0.00 0.00 61.69 62.46 1yau s THR 41 Cb 0.39 -0.41 -0.05 0.00 0.01 0.00 0.00 72.50 72.44 1yau s THR 41 CO -0.04 0.18 -0.16 -0.83 -0.69 0.00 0.00 174.62 173.08 1yau s GLY 42 N 0.83 1.53 -0.01 4.40 0.00 0.12 -1.41 107.32 112.77 1yau s GLY 42 Ca -0.10 -1.70 0.02 0.00 0.00 0.00 0.00 44.72 42.94 1yau s GLY 42 CO -0.01 -1.79 -0.05 -0.29 0.00 0.00 0.00 173.10 170.96 1yau s MET 43 N -3.56 0.49 0.11 2.90 1.75 0.89 -1.24 119.30 120.65 1yau s MET 43 Ca 0.24 -0.17 0.05 0.00 -1.25 0.00 0.00 55.69 54.56 1yau s MET 43 Cb -0.02 -0.49 -0.04 0.00 2.84 0.00 0.00 34.83 37.12 1yau s MET 43 CO 0.09 0.08 0.01 0.95 -0.65 0.00 0.00 175.02 175.50 1yau s THR 44 N 0.08 4.02 0.03 10.11 -4.23 -0.17 -0.67 115.64 124.82 1yau s THR 44 Ca -0.01 -1.08 0.08 0.00 -1.18 0.00 0.00 61.69 59.51 1yau s THR 44 Cb -0.05 -2.95 -0.02 0.00 1.34 0.00 0.00 72.50 70.82 1yau s THR 44 CO -0.00 0.05 -0.24 0.27 -0.54 0.00 0.00 174.62 174.17 1yau s ILE 45 N -1.43 1.89 0.04 2.99 -4.36 -0.12 -1.85 121.20 118.35 1yau s ILE 45 Ca 0.27 -1.22 -0.08 0.00 -0.26 0.00 0.00 60.65 59.35 1yau s ILE 45 Cb -0.11 -1.61 -0.00 0.00 1.25 0.00 0.00 42.46 41.99 1yau s ILE 45 CO 0.19 0.34 0.17 0.00 0.24 0.00 0.00 174.94 175.88 1yau s ALA 46 N -0.74 -0.27 0.00 2.27 0.00 -0.86 -4.91 121.76 117.26 1yau s ALA 46 Ca 0.09 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1yau s ALA 46 Cb -0.09 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1yau s ALA 46 CO 0.01 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1yau n GLY 47 N 0.67 -0.39 3.67 0.00 0.00 -1.26 -1.62 105.19 106.26 1yau n GLY 47 Ca -0.19 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 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 4.36 0.16 0.99 2.96 0.12 -4.90 118.68 122.38 1yau s LEU 48 Ca 0.00 2.43 -0.15 0.00 -0.22 0.00 0.00 54.13 56.20 1yau s LEU 48 Cb 0.00 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.23 1yau s LEU 48 CO 0.00 -0.94 1.78 0.58 -1.32 0.00 0.00 176.35 176.45 1yau h VAL 49 N 5.28 0.97 -0.53 1.68 2.07 -1.93 -1.84 116.25 121.95 1yau h VAL 49 Ca -0.43 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1yau h VAL 49 Cb 1.20 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1yau h VAL 49 CO 0.94 0.08 0.26 1.23 0.02 0.00 0.00 177.57 180.10 1yau h GLY 50 N 0.42 0.81 0.67 2.17 0.00 -1.99 -0.66 103.07 104.48 1yau h GLY 50 Ca 0.18 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 47.14 1yau h GLY 50 CO -0.13 0.37 -0.11 -0.55 0.00 0.00 0.00 176.54 176.12 1yau h ASP 51 N 0.71 -0.33 -0.60 0.19 3.32 -1.91 -1.85 116.42 115.95 1yau h ASP 51 Ca 0.18 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.31 1yau h ASP 51 Cb 0.10 0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 1yau h ASP 51 CO -0.02 -0.16 0.38 0.00 -1.72 0.00 0.00 179.24 177.71 1yau h ALA 52 N 0.83 0.77 -0.03 3.45 0.00 -1.09 -0.80 119.26 122.39 1yau h ALA 52 Ca 0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1yau h ALA 52 Cb 0.25 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1yau h ALA 52 CO -0.14 0.13 0.01 1.96 0.00 0.00 0.00 179.25 181.21 1yau h GLN 53 N 0.75 0.05 -0.70 0.00 4.20 -1.13 0.61 115.11 118.88 1yau h GLN 53 Ca 0.23 -0.01 0.15 0.00 0.06 0.00 0.00 58.65 59.09 1yau h GLN 53 Cb -0.02 -0.01 -0.11 0.00 0.30 0.00 0.00 27.48 27.64 1yau h GLN 53 CO -0.08 0.24 0.11 0.28 -0.67 0.00 0.00 178.83 178.70 1yau h VAL 54 N -0.14 0.48 -0.82 -0.54 2.07 -1.21 -1.16 116.25 114.93 1yau h VAL 54 Ca 0.01 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1yau h VAL 54 Cb 0.21 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1yau h VAL 54 CO -0.00 0.04 0.35 -0.07 0.02 0.00 0.00 177.57 177.90 1yau h LEU 55 N 0.20 1.11 -0.62 2.57 3.38 -0.70 -1.31 115.31 119.94 1yau h LEU 55 Ca 0.39 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1yau h LEU 55 Cb 0.66 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1yau h LEU 55 CO -0.54 0.97 0.27 0.58 0.09 0.00 0.00 178.44 179.82 1yau h VAL 56 N 1.19 1.23 -0.53 1.22 2.07 -0.32 -1.40 116.25 119.70 1yau h VAL 56 Ca 0.28 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 1yau h VAL 56 Cb 0.19 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1yau h VAL 56 CO -0.03 0.27 0.22 0.03 0.02 0.00 0.00 177.57 178.09 1yau h ARG 57 N 0.86 0.78 -0.67 1.57 3.08 -0.87 -0.95 114.38 118.18 1yau h ARG 57 Ca 0.21 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1yau h ARG 57 Cb 0.16 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1yau h ARG 57 CO -0.02 0.67 0.38 1.88 -1.07 0.00 0.00 179.97 181.81 1yau h TYR 58 N 0.71 0.89 0.15 3.04 0.99 -1.10 -1.77 116.97 119.88 1yau h TYR 58 Ca 0.18 -0.01 -0.27 0.00 2.00 0.00 0.00 58.73 60.63 1yau h TYR 58 Cb 0.18 -0.29 0.03 0.00 1.00 0.00 0.00 36.73 37.64 1yau h TYR 58 CO 0.00 0.61 -1.13 0.52 -0.00 0.00 0.00 178.16 178.16 1yau h MET 59 N 0.92 0.51 0.10 4.88 2.86 -1.12 -1.94 114.93 121.15 1yau h MET 59 Ca 0.24 -0.74 0.01 0.00 -2.06 0.00 0.00 59.70 57.15 1yau h MET 59 Cb -0.00 0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1yau h MET 59 CO -0.04 1.34 -0.20 0.87 1.06 0.00 0.00 176.91 179.94 1yau h LYS 60 N 0.05 -0.36 -0.23 1.72 1.57 -1.03 -0.82 116.57 117.47 1yau h LYS 60 Ca -0.18 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1yau h LYS 60 Cb 1.85 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 34.17 1yau h LYS 60 CO 0.22 -0.24 -0.34 0.00 -0.57 0.00 0.00 179.45 178.52 1yau h ALA 61 N 0.44 -0.34 -0.12 3.86 0.00 -1.41 -2.05 119.26 119.65 1yau h ALA 61 Ca 0.03 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 1yau h ALA 61 Cb 0.39 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1yau h ALA 61 CO -0.11 -0.79 -0.73 1.49 0.00 0.00 0.00 179.25 179.11 1yau h GLU 62 N -0.36 0.55 -0.55 0.00 4.57 -1.28 -0.68 114.58 116.83 1yau h GLU 62 Ca 0.12 -0.44 -0.10 0.00 -1.18 0.00 0.00 59.36 57.76 1yau h GLU 62 Cb 0.55 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.21 1yau h GLU 62 CO -0.43 1.07 -0.07 -0.07 -1.18 0.00 0.00 179.01 178.33 1yau h LEU 63 N 0.38 1.00 -0.39 1.64 3.38 -1.14 0.43 115.31 120.60 1yau h LEU 63 Ca -0.03 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 1yau h LEU 63 Cb 1.32 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1yau h LEU 63 CO 0.13 1.09 0.18 -0.08 0.09 0.00 0.00 178.44 179.85 1yau h GLU 64 N 0.91 0.58 -0.46 1.13 4.81 -1.34 -2.19 114.58 118.01 1yau h GLU 64 Ca 0.15 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1yau h GLU 64 Cb 0.62 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1yau h GLU 64 CO 0.04 0.52 0.20 1.25 -0.73 0.00 0.00 179.01 180.29 1yau h LEU 65 N 0.49 0.62 -0.59 1.64 5.85 -0.95 -2.16 115.31 120.22 1yau h LEU 65 Ca 0.13 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1yau h LEU 65 Cb 0.15 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1yau h LEU 65 CO -0.01 0.60 0.35 0.22 -0.34 0.00 0.00 178.44 179.26 1yau h TYR 66 N 0.60 0.78 -0.47 1.25 5.03 -0.83 -1.17 116.97 122.16 1yau h TYR 66 Ca 0.16 -0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.38 1yau h TYR 66 Cb 0.16 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 1yau h TYR 66 CO -0.00 0.54 -0.01 -0.09 -1.32 0.00 0.00 178.16 177.28 1yau h ARG 67 N 0.79 0.84 -0.80 1.82 2.43 -1.29 0.58 114.38 118.75 1yau h ARG 67 Ca 0.21 -0.27 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1yau h ARG 67 Cb -0.01 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.42 1yau h ARG 67 CO -0.04 0.90 0.51 -0.07 -1.51 0.00 0.00 179.97 179.76 1yau h LEU 68 N 0.70 0.84 -0.04 3.80 4.07 -1.25 0.34 115.31 123.78 1yau h LEU 68 Ca 0.13 -0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.87 1yau h LEU 68 Cb 0.52 -0.19 0.02 0.00 1.08 0.00 0.00 40.66 42.09 1yau h LEU 68 CO 0.03 0.58 -0.84 1.56 -1.08 0.00 0.00 178.44 178.69 1yau h GLN 69 N 0.99 0.63 0.00 1.13 4.20 -0.61 -3.34 115.11 118.12 1yau h GLN 69 Ca 0.32 -0.63 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1yau h GLN 69 Cb 0.02 0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1yau h GLN 69 CO -0.12 1.24 -1.25 0.54 -0.67 0.00 0.00 178.83 178.57 1yau n ARG 70 N -4.00 0.60 -1.07 1.46 3.00 0.20 -4.96 116.66 111.89 1yau n ARG 70 Ca -0.10 0.04 -0.02 0.00 -0.01 0.00 0.00 57.85 57.75 1yau n ARG 70 Cb 0.78 -1.74 -0.01 0.00 0.00 0.00 0.00 32.46 31.49 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 -2.53 -1.24 -4.20 5.56 1.74 0.12 -4.98 116.66 111.14 1yau n ARG 71 Ca -0.01 0.44 -0.12 0.00 -0.77 0.00 0.00 57.85 57.39 1yau n ARG 71 Cb 0.55 -4.43 -0.10 0.00 -1.02 0.00 0.00 32.46 27.46 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 -1.55 0.68 0.34 1.55 -7.23 -1.24 -5.04 120.40 107.90 1yau s VAL 72 Ca 0.00 -1.95 -0.27 0.00 -1.81 0.00 0.00 61.98 57.95 1yau s VAL 72 Cb 0.00 -1.85 -0.09 0.00 0.56 0.00 0.00 36.38 34.99 1yau s VAL 72 CO 0.00 -0.71 1.08 0.20 -0.31 0.00 0.00 175.10 175.36 1yau s ASN 73 N -3.09 7.00 0.08 4.85 -0.87 -1.26 -3.97 114.94 117.68 1yau s ASN 73 Ca 0.17 2.18 -0.34 0.00 -1.57 0.00 0.00 52.86 53.30 1yau s ASN 73 Cb 0.06 -2.61 -0.13 0.00 -0.02 0.00 0.00 41.25 38.54 1yau s ASN 73 CO -0.01 -0.33 1.67 0.80 -2.57 0.00 0.00 177.10 176.66 1yau n MET 74 N 0.59 2.15 -1.62 -0.60 0.00 -1.26 -4.94 117.12 111.45 1yau n MET 74 Ca 0.02 0.78 -0.39 0.00 -0.00 0.00 0.00 57.70 58.11 1yau n MET 74 Cb 0.47 -2.57 0.04 0.00 0.00 0.00 0.00 33.22 31.15 1yau n MET 74 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 1yau n PRO 75 N 4.40 1.12 -0.35 2.12 -0.02 -1.26 -4.77 135.00 136.24 1yau n PRO 75 Ca 0.19 0.42 -0.03 0.00 -2.02 0.00 0.00 63.50 62.05 1yau n PRO 75 Cb 0.29 -2.13 0.10 0.00 -0.02 0.00 0.00 33.50 31.73 1yau n PRO 75 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1yau h ILE 76 N 0.95 1.25 -0.46 4.25 1.08 -1.92 -0.48 117.51 122.19 1yau h ILE 76 Ca -0.47 -0.53 0.07 0.00 -0.39 0.00 0.00 64.86 63.54 1yau h ILE 76 Cb 1.35 -0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 34.99 1yau h ILE 76 CO 0.53 0.26 0.31 -0.08 -0.69 0.00 0.00 178.15 178.49 1yau h GLU 77 N 1.29 0.32 0.01 2.37 4.81 -1.99 -2.03 114.58 119.35 1yau h GLU 77 Ca 0.34 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 59.34 1yau h GLU 77 Cb -0.08 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1yau h GLU 77 CO -0.07 0.21 -0.92 0.00 -0.73 0.00 0.00 179.01 177.50 1yau h ALA 78 N 1.76 0.44 -0.19 2.92 0.00 -1.47 -1.09 119.26 121.63 1yau h ALA 78 Ca 0.21 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1yau h ALA 78 Cb 0.40 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1yau h ALA 78 CO -0.05 0.90 0.10 0.28 0.00 0.00 0.00 179.25 180.49 1yau h VAL 79 N 0.13 1.12 -0.22 0.00 2.07 -0.60 -1.13 116.25 117.61 1yau h VAL 79 Ca -0.06 -0.34 -0.13 0.00 0.82 0.00 0.00 66.70 66.99 1yau h VAL 79 Cb 1.57 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1yau h VAL 79 CO 0.15 0.12 -0.42 0.00 0.02 0.00 0.00 177.57 177.43 1yau h ALA 80 N 0.97 0.85 -0.39 1.67 0.00 -1.34 -1.04 119.26 119.97 1yau h ALA 80 Ca 0.07 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1yau h ALA 80 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1yau h ALA 80 CO -0.01 0.65 -0.05 1.15 0.00 0.00 0.00 179.25 180.99 1yau h THR 81 N 0.44 1.27 0.01 0.00 2.02 -1.14 0.20 112.91 115.70 1yau h THR 81 Ca 0.03 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.12 1yau h THR 81 Cb 0.92 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1yau h THR 81 CO 0.08 0.37 -0.02 0.25 0.37 0.00 0.00 175.52 176.57 1yau h LEU 82 N 0.54 -0.04 -1.05 2.58 5.85 -0.98 -0.16 115.31 122.05 1yau h LEU 82 Ca 0.11 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1yau h LEU 82 Cb 0.54 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1yau h LEU 82 CO 0.03 -0.03 0.32 -0.07 -0.34 0.00 0.00 178.44 178.36 1yau h LEU 83 N -0.03 0.90 -0.63 2.25 3.38 -1.01 -2.35 115.31 117.82 1yau h LEU 83 Ca 0.00 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1yau h LEU 83 Cb 0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1yau h LEU 83 CO -0.01 0.77 -0.02 -1.28 0.09 0.00 0.00 178.44 177.99 1yau h SER 84 N 0.99 1.03 -0.60 -0.43 0.87 -0.32 -1.45 113.55 113.64 1yau h SER 84 Ca 0.24 -0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 1yau h SER 84 Cb 0.12 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 1yau h SER 84 CO -0.03 1.09 0.31 0.78 -0.53 0.00 0.00 176.83 178.45 1yau h ASN 85 N 0.95 0.78 -0.49 6.23 2.35 -0.81 -2.44 115.58 122.15 1yau h ASN 85 Ca 0.17 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1yau h ASN 85 Cb 0.58 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1yau h ASN 85 CO 0.03 0.67 0.18 0.24 -1.65 0.00 0.00 177.43 176.90 1yau h MET 86 N 0.82 0.75 -0.02 0.81 2.86 -1.14 -1.12 114.93 117.90 1yau h MET 86 Ca 0.21 -0.15 -0.25 0.00 -2.06 0.00 0.00 59.70 57.45 1yau h MET 86 Cb 0.09 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 31.65 1yau h MET 86 CO -0.03 0.69 -0.98 -0.07 1.06 0.00 0.00 176.91 177.58 1yau h LEU 87 N 0.66 0.78 -0.74 1.22 3.38 -1.33 -3.24 115.31 116.03 1yau h LEU 87 Ca 0.16 -0.61 -0.06 0.00 0.09 0.00 0.00 57.88 57.46 1yau h LEU 87 Cb 0.23 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1yau h LEU 87 CO -0.01 1.41 0.21 -1.13 0.09 0.00 0.00 178.44 179.01 1yau h ASN 88 N 0.35 1.09 0.05 -0.43 -0.73 -1.32 -2.72 115.58 111.87 1yau h ASN 88 Ca -0.10 -0.22 -0.00 0.00 1.87 0.00 0.00 56.30 57.84 1yau h ASN 88 Cb 1.62 -0.29 -0.00 0.00 0.27 0.00 0.00 38.32 39.92 1yau h ASN 88 CO 0.19 1.02 -0.02 1.56 -0.37 0.00 0.00 177.43 179.81 1yau h GLN 89 N 1.11 0.00 -0.31 6.67 4.20 -1.23 -1.07 115.11 124.47 1yau h GLN 89 Ca 0.23 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.74 1yau h GLN 89 Cb 0.34 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 27.98 1yau h GLN 89 CO -0.00 0.02 -0.39 1.33 -0.67 0.00 0.00 178.83 179.11 1yau n VAL 90 N -3.76 2.44 0.28 -0.54 0.24 -1.08 -4.85 118.33 111.06 1yau n VAL 90 Ca -0.03 -3.31 0.18 0.00 -2.04 0.00 0.00 64.34 59.14 1yau n VAL 90 Cb 0.10 -0.50 0.91 0.00 -1.47 0.00 0.00 33.84 32.88 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 1.30 0.00 0.00 7.34 2.10 -0.89 -0.74 116.57 125.68 1yau h LYS 91 Ca 0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.83 1yau h LYS 91 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1yau h LYS 91 CO 0.35 0.00 -1.21 0.66 -2.00 0.00 0.00 179.45 177.25 1yau n TYR 92 N -2.76 0.15 -3.13 0.07 4.02 -1.26 -4.13 117.16 110.12 1yau n TYR 92 Ca -0.02 0.04 -0.24 0.00 -0.01 0.00 0.00 57.90 57.68 1yau n TYR 92 Cb 0.10 -0.34 -0.05 0.00 -0.02 0.00 0.00 39.34 39.03 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 -1.91 2.14 -2.03 -0.72 2.81 -0.35 -5.14 117.12 111.92 1yau n MET 93 Ca 0.01 -4.19 -0.32 0.00 -1.81 0.00 0.00 57.70 51.39 1yau n MET 93 Cb 0.44 -1.96 0.00 0.00 -0.71 0.00 0.00 33.22 30.99 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 -2.72 3.60 -0.01 0.03 0.04 -0.80 -4.88 135.00 130.27 1yau s PRO 94 Ca 0.43 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 62.07 1yau s PRO 94 Cb 0.26 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.66 1yau s PRO 94 CO -0.10 -0.56 1.51 0.71 0.04 0.00 0.00 177.00 178.60 1yau s TYR 95 N -2.89 2.55 -1.23 0.56 1.51 -1.26 -4.93 117.35 111.64 1yau s TYR 95 Ca 0.58 0.57 -0.10 0.00 -1.01 0.00 0.00 57.07 57.11 1yau s TYR 95 Cb -0.12 -3.78 0.19 0.00 -0.11 0.00 0.00 41.96 38.14 1yau s TYR 95 CO 0.44 -3.05 1.69 -1.33 -1.11 0.00 0.00 175.55 172.19 1yau n MET 96 N 5.93 3.64 -4.02 -0.62 2.81 -1.26 -4.61 117.12 118.99 1yau n MET 96 Ca 0.15 -3.76 -0.09 0.00 -1.81 0.00 0.00 57.70 52.19 1yau n MET 96 Cb 0.43 -2.90 -0.11 0.00 -0.71 0.00 0.00 33.22 29.93 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 0.31 0.19 -0.09 2.03 -7.23 -1.26 0.11 120.40 114.46 1yau s VAL 97 Ca 0.39 -1.16 0.03 0.00 -1.81 0.00 0.00 61.98 59.43 1yau s VAL 97 Cb 0.05 -0.62 -0.02 0.00 0.56 0.00 0.00 36.38 36.36 1yau s VAL 97 CO 0.01 -0.62 -0.16 -1.10 -0.31 0.00 0.00 175.10 172.92 1yau s GLN 98 N -2.10 2.91 0.10 4.82 -0.21 -0.64 -2.90 119.66 121.65 1yau s GLN 98 Ca -0.09 -0.74 0.10 0.00 0.02 0.00 0.00 55.36 54.64 1yau s GLN 98 Cb -0.05 -2.44 -0.04 0.00 1.00 0.00 0.00 33.01 31.48 1yau s GLN 98 CO -0.03 0.38 -0.24 -0.51 -2.12 0.00 0.00 175.29 172.77 1yau s LEU 99 N -0.11 2.28 -0.10 2.90 1.43 0.15 -2.02 118.68 123.19 1yau s LEU 99 Ca -0.02 -0.68 0.02 0.00 -1.03 0.00 0.00 54.13 52.41 1yau s LEU 99 Cb -0.14 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 1yau s LEU 99 CO 0.04 0.15 -0.18 -0.76 0.23 0.00 0.00 176.35 175.83 1yau s LEU 100 N -1.81 2.46 -0.19 1.79 1.43 -0.77 -1.32 118.68 120.27 1yau s LEU 100 Ca 0.11 -0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 52.79 1yau s LEU 100 Cb -0.10 -1.52 -0.00 0.00 0.03 0.00 0.00 46.19 44.60 1yau s LEU 100 CO 0.04 0.19 -0.11 -0.69 0.23 0.00 0.00 176.35 176.02 1yau s VAL 101 N 0.16 2.91 0.06 -1.59 1.01 0.11 -0.99 120.40 122.07 1yau s VAL 101 Ca -0.10 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.28 1yau s VAL 101 Cb -0.16 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 1yau s VAL 101 CO 0.06 0.48 -0.16 -0.83 0.00 0.00 0.00 175.10 174.64 1yau s GLY 102 N 1.23 0.95 -0.03 4.51 0.00 -0.37 -0.40 107.32 113.21 1yau s GLY 102 Ca 0.03 -1.00 -0.16 0.00 0.00 0.00 0.00 44.72 43.59 1yau s GLY 102 CO -0.05 -1.00 0.70 0.61 0.00 0.00 0.00 173.10 173.37 1yau n GLY 103 N 1.51 0.34 3.23 0.20 0.00 -0.83 0.12 105.19 109.75 1yau n GLY 103 Ca -0.19 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.05 2.32 0.00 -0.61 -1.09 -0.83 -0.83 121.20 118.10 1yau s ILE 104 Ca 0.17 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 1yau s ILE 104 Cb -0.00 -1.94 0.00 0.00 -1.58 0.00 0.00 42.46 38.94 1yau s ILE 104 CO -0.01 0.54 0.00 -0.90 -1.23 0.00 0.00 174.94 173.34 1yau n ASP 105 N 3.90 0.00 -0.72 3.58 5.68 -1.26 -4.83 116.55 122.90 1yau n ASP 105 Ca -0.19 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.22 1yau n ASP 105 Cb 0.52 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.78 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 0.00 -3.45 2.12 -2.24 -1.26 -4.96 114.28 104.49 1yau n THR 106 Ca 0.00 -0.37 -0.11 0.00 -2.27 0.00 0.00 64.05 61.29 1yau n THR 106 Cb 0.00 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.25 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 -2.04 -1.68 0.35 6.98 0.00 -1.26 -5.15 121.76 118.96 1yau s ALA 107 Ca 0.32 0.71 -0.26 0.00 0.00 0.00 0.00 51.96 52.72 1yau s ALA 107 Cb 0.20 0.67 -0.09 0.00 0.00 0.00 0.00 23.12 23.90 1yau s ALA 107 CO 0.33 -0.71 1.07 -2.14 0.00 0.00 0.00 175.76 174.31 1yau s PRO 108 N -3.37 4.35 -0.00 0.00 0.02 -1.26 -4.28 135.00 130.46 1yau s PRO 108 Ca 0.01 1.63 -0.01 0.00 0.02 0.00 0.00 61.00 62.66 1yau s PRO 108 Cb -0.01 -2.81 -0.00 0.00 0.02 0.00 0.00 34.50 31.70 1yau s PRO 108 CO -0.10 0.00 0.02 -1.01 -0.33 0.00 0.00 177.00 175.58 1yau s HIS 109 N -1.45 0.03 -0.09 6.54 3.76 -0.01 -4.99 115.29 119.07 1yau s HIS 109 Ca 0.52 -0.05 0.03 0.00 -0.15 0.00 0.00 55.06 55.41 1yau s HIS 109 Cb -0.26 -0.03 0.01 0.00 1.11 0.00 0.00 32.58 33.41 1yau s HIS 109 CO 0.33 -0.06 -0.17 0.08 -0.85 0.00 0.00 174.74 174.07 1yau s VAL 110 N -0.32 1.56 -0.06 -0.90 1.01 -1.25 -1.97 120.40 118.47 1yau s VAL 110 Ca -0.04 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1yau s VAL 110 Cb -0.02 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1yau s VAL 110 CO -0.00 0.45 -0.23 -0.36 0.00 0.00 0.00 175.10 174.96 1yau s PHE 111 N 0.68 2.27 -0.17 5.22 0.40 0.46 -1.58 117.98 125.26 1yau s PHE 111 Ca -0.13 -0.73 -0.04 0.00 -0.60 0.00 0.00 56.93 55.43 1yau s PHE 111 Cb -0.16 -1.50 -0.03 0.00 0.51 0.00 0.00 43.02 41.84 1yau s PHE 111 CO 0.03 -0.25 -0.02 0.45 0.70 0.00 0.00 175.22 176.14 1yau s SER 112 N 0.00 4.88 -0.08 1.36 0.15 -0.50 -0.71 113.70 118.80 1yau s SER 112 Ca -0.07 -0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.47 1yau s SER 112 Cb -0.14 -1.81 0.02 0.00 -1.71 0.00 0.00 66.02 62.38 1yau s SER 112 CO 0.04 0.15 -0.09 -0.63 1.20 0.00 0.00 173.24 173.91 1yau s ILE 113 N 0.48 0.97 0.48 6.45 1.01 -0.44 -1.38 121.20 128.78 1yau s ILE 113 Ca -0.02 -0.33 0.09 0.00 0.00 0.00 0.00 60.65 60.38 1yau s ILE 113 Cb -0.14 -0.94 0.04 0.00 0.01 0.00 0.00 42.46 41.43 1yau s ILE 113 CO 0.02 0.34 0.66 1.51 0.00 0.00 0.00 174.94 177.47 1yau s ASP 114 N 1.12 5.43 0.27 3.58 1.47 -0.16 -0.68 116.67 127.70 1yau s ASP 114 Ca -0.06 -0.60 0.21 0.00 1.18 0.00 0.00 52.55 53.28 1yau s ASP 114 Cb -0.14 -0.27 1.01 0.00 -0.34 0.00 0.00 42.92 43.18 1yau s ASP 114 CO -0.01 -1.00 1.65 0.00 0.68 0.00 0.00 175.17 176.49 1yau n ALA 115 N -2.01 1.37 -0.38 2.11 0.00 -1.14 -1.54 120.51 118.92 1yau n ALA 115 Ca 0.11 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.79 1yau n ALA 115 Cb 0.60 -1.34 0.32 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.76 2.39 -0.78 0.00 0.00 -1.26 -4.57 120.51 114.54 1yau n ALA 116 Ca 0.01 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.13 1yau n ALA 116 Cb 0.14 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 1.61 0.67 3.69 0.00 0.00 -0.59 -3.89 105.19 106.68 1yau n GLY 117 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.95 1.79 -0.09 -0.02 0.00 -1.26 -4.55 107.32 101.24 1yau s GLY 118 Ca 0.00 1.02 -0.01 0.00 0.00 0.00 0.00 44.72 45.73 1yau s GLY 118 CO 0.00 2.59 -0.03 -0.45 0.00 0.00 0.00 173.10 175.20 1yau s SER 119 N 1.87 1.78 -0.05 1.64 0.15 -1.26 -0.99 113.70 116.84 1yau s SER 119 Ca 0.67 -0.17 0.01 0.00 0.70 0.00 0.00 55.95 57.16 1yau s SER 119 Cb -0.35 -0.60 0.02 0.00 -1.71 0.00 0.00 66.02 63.38 1yau s SER 119 CO 0.29 -0.15 -0.06 -0.69 1.20 0.00 0.00 173.24 173.82 1yau s VAL 120 N 1.80 0.68 0.25 4.45 1.01 -0.48 -4.97 120.40 123.13 1yau s VAL 120 Ca 0.04 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 1yau s VAL 120 Cb -0.13 -0.68 -0.09 0.00 0.00 0.00 0.00 36.38 35.48 1yau s VAL 120 CO -0.06 0.26 1.03 -0.70 0.00 0.00 0.00 175.10 175.64 1yau s GLU 121 N 0.96 4.72 0.20 2.72 2.12 -1.26 -1.41 118.70 126.75 1yau s GLU 121 Ca -0.10 1.67 -0.10 0.00 0.36 0.00 0.00 54.97 56.80 1yau s GLU 121 Cb -0.14 -3.24 -0.01 0.00 0.26 0.00 0.00 34.13 31.00 1yau s GLU 121 CO 0.00 0.32 0.35 0.34 -0.54 0.00 0.00 175.26 175.72 1yau s ASP 122 N -0.90 -0.01 0.22 -1.70 -1.08 -0.62 -5.00 116.67 107.60 1yau s ASP 122 Ca 0.44 -0.95 0.02 0.00 -0.52 0.00 0.00 52.55 51.54 1yau s ASP 122 Cb -0.29 0.49 0.21 0.00 -1.46 0.00 0.00 42.92 41.87 1yau s ASP 122 CO 0.37 -0.99 1.54 0.40 0.52 0.00 0.00 175.17 177.02 1yau h ILE 123 N 2.43 1.37 -3.50 4.11 2.04 -1.95 -3.33 117.51 118.68 1yau h ILE 123 Ca -0.30 -1.93 -0.04 0.00 1.00 0.00 0.00 64.86 63.58 1yau h ILE 123 Cb 1.24 1.95 -0.10 0.00 -0.74 0.00 0.00 36.82 39.17 1yau h ILE 123 CO 0.44 0.58 -0.07 -0.72 0.00 0.00 0.00 178.15 178.37 1yau s TYR 124 N -3.81 0.09 -0.09 1.37 -0.85 -1.26 -0.97 117.35 111.82 1yau s TYR 124 Ca -0.05 -0.45 -0.30 0.00 -0.52 0.00 0.00 57.07 55.76 1yau s TYR 124 Cb 0.12 0.26 0.11 0.00 0.38 0.00 0.00 41.96 42.83 1yau s TYR 124 CO 0.81 -0.89 0.91 0.00 -1.52 0.00 0.00 175.55 174.86 1yau s ALA 125 N -3.92 -1.87 0.02 9.51 0.00 -0.31 -5.00 121.76 120.19 1yau s ALA 125 Ca 0.13 1.34 -0.03 0.00 0.00 0.00 0.00 51.96 53.40 1yau s ALA 125 Cb -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1yau s ALA 125 CO 0.00 -0.46 0.05 0.45 0.00 0.00 0.00 175.76 175.80 1yau s SER 126 N -1.62 0.18 0.17 0.00 0.15 -1.26 -0.82 113.70 110.50 1yau s SER 126 Ca -0.00 -0.45 -0.02 0.00 0.70 0.00 0.00 55.95 56.18 1yau s SER 126 Cb -0.01 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.43 1yau s SER 126 CO -0.01 -0.38 0.12 0.42 1.20 0.00 0.00 173.24 174.59 1yau s THR 127 N -1.82 0.04 0.00 6.45 -4.23 -0.31 -4.92 115.64 110.85 1yau s THR 127 Ca -0.12 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1yau s THR 127 Cb -0.06 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.50 1yau s THR 127 CO -0.01 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1yau n GLY 128 N -0.20 0.66 0.29 3.99 0.00 -1.26 -1.11 105.19 107.55 1yau n GLY 128 Ca -0.02 -1.95 0.09 0.00 0.00 0.00 0.00 46.02 44.14 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 0.08 1.18 1.61 4.64 -1.79 -2.31 113.55 116.97 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 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1yau h SER 129 CO 0.00 0.06 0.00 1.23 -0.87 0.00 0.00 176.83 177.25 1yau h GLY 130 N 0.10 0.00 1.81 -0.77 0.00 -1.23 -3.37 103.07 99.61 1yau h GLY 130 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 1yau h GLY 130 CO -0.01 0.00 0.12 1.48 0.00 0.00 0.00 176.54 178.13 1yau h SER 131 N 0.00 0.22 -0.87 0.19 4.64 -1.56 -2.47 113.55 113.70 1yau h SER 131 Ca 0.00 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1yau h SER 131 Cb 0.59 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 62.58 1yau h SER 131 CO 0.00 0.17 0.44 -0.65 -0.87 0.00 0.00 176.83 175.92 1yau h PRO 132 N 0.26 1.23 -0.40 4.77 0.11 -1.81 -0.82 132.00 135.34 1yau h PRO 132 Ca 0.07 -0.17 0.05 0.00 0.11 0.00 0.00 66.00 66.06 1yau h PRO 132 Cb -0.01 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 30.82 1yau h PRO 132 CO -0.01 0.93 0.15 0.74 -0.21 0.00 0.00 178.00 179.59 1yau h PHE 133 N 1.23 0.26 -0.17 0.65 0.04 -1.76 -2.08 116.94 115.12 1yau h PHE 133 Ca 0.30 0.02 0.03 0.00 2.80 0.00 0.00 57.97 61.12 1yau h PHE 133 Cb 0.08 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.14 1yau h PHE 133 CO 0.01 0.11 -0.04 0.28 -0.60 0.00 0.00 178.31 178.06 1yau h VAL 134 N 0.31 0.83 -0.21 -0.55 2.07 -1.43 -2.43 116.25 114.83 1yau h VAL 134 Ca 0.18 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.76 1yau h VAL 134 Cb 0.16 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1yau h VAL 134 CO -0.18 0.00 0.15 1.88 0.02 0.00 0.00 177.57 179.44 1yau h TYR 135 N -0.01 0.02 0.22 1.57 0.05 -0.83 -0.55 116.97 117.45 1yau h TYR 135 Ca 0.08 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 1yau h TYR 135 Cb 0.13 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1yau h TYR 135 CO -0.20 0.01 -0.11 0.78 -1.05 0.00 0.00 178.16 177.60 1yau h GLY 136 N 0.02 -0.31 0.87 3.88 0.00 -0.93 -1.62 103.07 104.99 1yau h GLY 136 Ca 0.10 0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.56 1yau h GLY 136 CO -0.00 -0.11 0.17 -2.08 0.00 0.00 0.00 176.54 174.52 1yau h VAL 137 N -0.45 1.00 -0.47 4.60 2.07 -0.99 -2.48 116.25 119.54 1yau h VAL 137 Ca -0.03 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 1yau h VAL 137 Cb 0.34 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1yau h VAL 137 CO 0.05 0.07 -0.07 -0.07 0.02 0.00 0.00 177.57 177.56 1yau h LEU 138 N 0.36 0.89 -0.97 2.57 3.38 -1.18 -0.36 115.31 120.00 1yau h LEU 138 Ca 0.14 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.81 1yau h LEU 138 Cb 0.03 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 1yau h LEU 138 CO -0.08 1.02 0.63 -0.33 0.09 0.00 0.00 178.44 179.77 1yau h GLU 139 N 0.74 1.15 0.04 1.13 4.39 -1.27 0.78 114.58 121.54 1yau h GLU 139 Ca 0.13 -0.07 -0.24 0.00 0.34 0.00 0.00 59.36 59.52 1yau h GLU 139 Cb 0.61 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1yau h GLU 139 CO 0.04 0.76 -1.12 1.03 -1.16 0.00 0.00 179.01 178.56 1yau h SER 140 N 1.18 0.15 0.00 1.42 0.87 -1.00 -3.41 113.55 112.75 1yau h SER 140 Ca 0.40 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1yau h SER 140 Cb 0.09 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1yau h SER 140 CO -0.15 1.13 -0.28 0.00 -0.53 0.00 0.00 176.83 176.99 1yau n GLN 141 N -3.40 3.88 -2.26 2.24 6.02 -0.18 -5.02 117.38 118.66 1yau n GLN 141 Ca -0.04 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.54 1yau n GLN 141 Cb 0.97 -0.57 -0.03 0.00 1.02 0.00 0.00 30.24 31.64 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 -1.05 3.29 -0.04 1.08 5.04 0.25 -5.02 117.35 120.91 1yau s TYR 142 Ca 0.00 1.36 0.03 0.00 -2.44 0.00 0.00 57.07 56.03 1yau s TYR 142 Cb 0.00 -3.54 0.00 0.00 0.35 0.00 0.00 41.96 38.77 1yau s TYR 142 CO 0.00 -1.57 -0.13 0.45 -1.34 0.00 0.00 175.55 172.96 1yau s SER 143 N -0.04 1.69 0.59 4.32 0.15 -1.26 -4.97 113.70 114.18 1yau s SER 143 Ca 0.53 -0.27 0.28 0.00 0.70 0.00 0.00 55.95 57.19 1yau s SER 143 Cb -0.36 -0.49 1.63 0.00 -1.71 0.00 0.00 66.02 65.08 1yau s SER 143 CO 0.41 0.10 2.07 -0.33 1.20 0.00 0.00 173.24 176.70 1yau h GLU 144 N 6.38 0.00 0.00 5.44 4.39 -1.96 -2.52 114.58 126.32 1yau h GLU 144 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1yau h GLU 144 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1yau h GLU 144 CO 0.48 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.96 1yau n LYS 145 N -3.81 0.22 -1.48 2.33 5.02 -1.26 -4.40 118.16 114.78 1yau n LYS 145 Ca 0.02 0.25 -0.36 0.00 -2.02 0.00 0.00 58.31 56.20 1yau n LYS 145 Cb 0.37 -1.79 0.08 0.00 -0.02 0.00 0.00 35.03 33.67 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 -2.18 0.70 -2.34 1.97 2.81 -0.95 -5.00 117.12 112.13 1yau n MET 146 Ca 0.05 0.29 -0.24 0.00 -1.81 0.00 0.00 57.70 55.99 1yau n MET 146 Cb 0.37 -2.28 0.06 0.00 -0.71 0.00 0.00 33.22 30.66 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 -1.67 2.39 0.34 2.03 -4.23 -1.26 -4.63 115.64 108.61 1yau s THR 147 Ca 0.76 -0.39 0.02 0.00 -1.18 0.00 0.00 61.69 60.90 1yau s THR 147 Cb -0.37 -2.99 0.26 0.00 1.34 0.00 0.00 72.50 70.74 1yau s THR 147 CO 0.47 0.00 2.00 0.58 -0.54 0.00 0.00 174.62 177.14 1yau h VAL 148 N -0.40 1.17 -0.38 2.29 2.07 -1.99 -0.76 116.25 118.25 1yau h VAL 148 Ca -0.44 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 66.66 1yau h VAL 148 Cb 1.31 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1yau h VAL 148 CO 0.57 0.17 -0.19 0.44 0.02 0.00 0.00 177.57 178.58 1yau h ASP 149 N 0.88 0.83 -0.17 0.57 3.32 -1.99 -1.63 116.42 118.23 1yau h ASP 149 Ca 0.24 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 1yau h ASP 149 Cb -0.09 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 1yau h ASP 149 CO -0.05 1.05 0.07 -0.33 -1.72 0.00 0.00 179.24 178.26 1yau h GLU 150 N 0.60 0.25 -0.93 3.56 5.08 -1.85 -2.10 114.58 119.20 1yau h GLU 150 Ca 0.08 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1yau h GLU 150 Cb 0.74 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 1yau h GLU 150 CO 0.06 0.32 0.57 0.78 -1.00 0.00 0.00 179.01 179.74 1yau h GLY 151 N 0.12 1.35 1.00 -3.84 0.00 -1.17 0.45 103.07 100.98 1yau h GLY 151 Ca 0.06 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 1yau h GLY 151 CO -0.01 0.53 0.29 -2.08 0.00 0.00 0.00 176.54 175.28 1yau h VAL 152 N 1.28 1.23 -0.46 4.60 2.07 -1.19 -1.69 116.25 122.09 1yau h VAL 152 Ca 0.34 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1yau h VAL 152 Cb -0.07 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1yau h VAL 152 CO -0.07 0.27 0.13 0.44 0.02 0.00 0.00 177.57 178.37 1yau h ASP 153 N 0.90 0.68 -0.20 0.57 3.32 -0.65 -2.46 116.42 118.58 1yau h ASP 153 Ca 0.22 -0.22 0.03 0.00 0.02 0.00 0.00 57.03 57.09 1yau h ASP 153 Cb 0.15 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1yau h ASP 153 CO -0.02 0.72 0.01 0.25 -1.72 0.00 0.00 179.24 178.47 1yau h LEU 154 N 0.61 -0.07 -1.01 1.55 5.85 -0.54 0.33 115.31 122.02 1yau h LEU 154 Ca 0.15 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 1yau h LEU 154 Cb 0.29 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1yau h LEU 154 CO -0.00 -0.01 -0.23 -0.37 -0.34 0.00 0.00 178.44 177.49 1yau h VAL 155 N 0.07 1.26 -0.43 1.05 -1.51 -1.30 0.57 116.25 115.96 1yau h VAL 155 Ca 0.09 -1.20 -0.01 0.00 -1.23 0.00 0.00 66.70 64.35 1yau h VAL 155 Cb 0.11 1.34 -0.02 0.00 -2.13 0.00 0.00 31.29 30.59 1yau h VAL 155 CO -0.16 0.38 0.24 0.40 -1.23 0.00 0.00 177.57 177.21 1yau h ILE 156 N 0.39 1.15 -0.01 7.19 2.04 -0.91 0.38 117.51 127.74 1yau h ILE 156 Ca 0.06 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.55 1yau h ILE 156 Cb 0.62 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1yau h ILE 156 CO 0.04 0.16 -0.07 0.03 0.00 0.00 0.00 178.15 178.32 1yau h ARG 157 N 0.57 -0.11 -0.18 2.37 3.08 -0.37 0.21 114.38 119.95 1yau h ARG 157 Ca 0.15 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.23 1yau h ARG 157 Cb 0.04 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1yau h ARG 157 CO -0.03 -0.07 0.07 0.00 -1.07 0.00 0.00 179.97 178.87 1yau h ALA 158 N 0.88 0.20 0.00 0.04 0.00 -0.79 0.17 119.26 119.76 1yau h ALA 158 Ca 0.03 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1yau h ALA 158 Cb 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1yau h ALA 158 CO -0.08 -0.36 -0.37 0.82 0.00 0.00 0.00 179.25 179.26 1yau h ILE 159 N 0.16 0.95 -0.14 0.00 2.04 -0.84 -1.66 117.51 118.01 1yau h ILE 159 Ca 0.08 -1.45 -0.19 0.00 1.00 0.00 0.00 64.86 64.30 1yau h ILE 159 Cb 0.04 1.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1yau h ILE 159 CO -0.07 0.36 -0.67 0.28 0.00 0.00 0.00 178.15 178.05 1yau h SER 160 N 0.00 0.66 -0.46 1.72 0.02 0.42 -1.88 113.55 114.03 1yau h SER 160 Ca -0.00 -0.40 -0.04 0.00 -0.84 0.00 0.00 61.79 60.51 1yau h SER 160 Cb 0.83 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 1yau h SER 160 CO 0.05 1.15 0.13 0.00 -1.14 0.00 0.00 176.83 177.01 1yau h ALA 161 N 0.85 0.60 -0.42 3.77 0.00 -0.46 -2.76 119.26 120.85 1yau h ALA 161 Ca -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1yau h ALA 161 Cb 1.25 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1yau h ALA 161 CO 0.13 0.27 0.23 0.00 0.00 0.00 0.00 179.25 179.88 1yau h ALA 162 N 0.98 0.53 -0.53 0.00 0.00 -1.19 -2.41 119.26 116.65 1yau h ALA 162 Ca 0.15 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1yau h ALA 162 Cb 0.30 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1yau h ALA 162 CO -0.00 0.05 0.35 0.87 0.00 0.00 0.00 179.25 180.53 1yau h LYS 163 N 0.54 0.42 0.00 0.00 1.57 -1.29 0.30 116.57 118.11 1yau h LYS 163 Ca 0.15 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1yau h LYS 163 Cb 0.05 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1yau h LYS 163 CO -0.02 0.28 -0.25 1.96 -0.57 0.00 0.00 179.45 180.84 1yau h GLN 164 N 0.44 0.00 0.00 3.15 1.08 -1.13 -3.33 115.11 115.31 1yau h GLN 164 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 1yau h GLN 164 Cb 0.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1yau h GLN 164 CO -0.06 0.25 0.00 0.54 -0.95 0.00 0.00 178.83 178.61 1yau n ARG 165 N -3.84 5.24 -4.02 1.46 5.12 -0.79 -4.94 116.66 114.89 1yau n ARG 165 Ca -0.02 -0.09 -0.31 0.00 -1.93 0.00 0.00 57.85 55.50 1yau n ARG 165 Cb 0.35 -0.58 -0.15 0.00 -1.16 0.00 0.00 32.46 30.92 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 -0.78 4.27 0.00 0.55 2.15 0.98 -4.97 116.67 118.86 1yau s ASP 166 Ca 0.00 -1.36 0.23 0.00 0.43 0.00 0.00 52.55 51.85 1yau s ASP 166 Cb 0.00 -1.43 1.03 0.00 -0.30 0.00 0.00 42.92 42.23 1yau s ASP 166 CO 0.00 -0.21 1.74 -1.54 -0.17 0.00 0.00 175.17 174.99 1yau n SER 167 N 4.50 0.00 -0.58 -0.34 3.41 -1.26 -1.68 113.62 117.67 1yau n SER 167 Ca -0.13 0.35 0.12 0.00 -0.26 0.00 0.00 58.87 58.95 1yau n SER 167 Cb 0.43 -0.44 0.41 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.44 2.53 -2.55 7.33 0.00 -1.26 -4.84 120.51 120.29 1yau n ALA 168 Ca 0.07 -0.53 -0.33 0.00 0.00 0.00 0.00 53.44 52.65 1yau n ALA 168 Cb 0.25 -1.09 -0.12 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.74 4.30 -0.15 0.00 0.01 -0.68 -0.47 113.70 114.99 1yau s SER 169 Ca 0.35 -0.12 -0.34 0.00 1.31 0.00 0.00 55.95 57.14 1yau s SER 169 Cb 0.19 -1.02 0.15 0.00 0.21 0.00 0.00 66.02 65.55 1yau s SER 169 CO 0.29 0.35 1.40 -0.83 0.41 0.00 0.00 173.24 174.86 1yau s GLY 170 N -0.72 -0.40 0.00 3.44 0.00 -1.26 -4.71 107.32 103.67 1yau s GLY 170 Ca 0.11 1.23 0.00 0.00 0.00 0.00 0.00 44.72 46.06 1yau s GLY 170 CO 0.01 0.31 0.00 0.61 0.00 0.00 0.00 173.10 174.03 1yau n GLY 171 N -0.35 -1.92 3.74 0.20 0.00 -1.26 -1.82 105.19 103.78 1yau n GLY 171 Ca -0.05 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 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 0.00 4.45 -0.07 1.61 -2.45 -1.26 -4.71 119.30 116.86 1yau s MET 172 Ca 0.00 1.99 -0.30 0.00 -1.25 0.00 0.00 55.69 56.13 1yau s MET 172 Cb 0.00 -3.20 -0.02 0.00 1.25 0.00 0.00 34.83 32.86 1yau s MET 172 CO 0.00 -0.14 1.13 0.42 1.05 0.00 0.00 175.02 177.48 1yau s ILE 173 N -0.22 4.45 -0.06 10.11 1.01 -1.26 -3.98 121.20 131.25 1yau s ILE 173 Ca 0.53 1.75 -0.07 0.00 0.00 0.00 0.00 60.65 62.86 1yau s ILE 173 Cb -0.35 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 37.95 1yau s ILE 173 CO 0.40 0.00 0.21 -1.81 0.00 0.00 0.00 174.94 173.74 1yau s ASP 174 N 1.33 6.47 0.00 3.58 -0.00 -0.21 -4.97 116.67 122.87 1yau s ASP 174 Ca 0.53 0.55 0.01 0.00 -0.00 0.00 0.00 52.55 53.63 1yau s ASP 174 Cb -0.22 -2.09 -0.00 0.00 -0.00 0.00 0.00 42.92 40.60 1yau s ASP 174 CO 0.20 0.34 -0.03 -0.69 -0.00 0.00 0.00 175.17 175.00 1yau s VAL 175 N -1.14 0.20 0.00 -1.27 1.01 -1.26 -1.77 120.40 116.17 1yau s VAL 175 Ca 0.21 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.02 1yau s VAL 175 Cb -0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 1yau s VAL 175 CO 0.10 -0.01 -0.14 0.00 0.00 0.00 0.00 175.10 175.04 1yau s ALA 176 N -0.23 1.18 -0.06 5.51 0.00 0.33 -1.20 121.76 127.29 1yau s ALA 176 Ca -0.01 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.31 1yau s ALA 176 Cb -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1yau s ALA 176 CO -0.00 0.27 -0.16 0.08 0.00 0.00 0.00 175.76 175.95 1yau s VAL 177 N -0.49 2.90 -0.19 0.00 1.01 -0.17 -1.57 120.40 121.89 1yau s VAL 177 Ca 0.04 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1yau s VAL 177 Cb -0.06 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.21 1yau s VAL 177 CO 0.00 0.58 -0.18 -0.63 0.00 0.00 0.00 175.10 174.87 1yau s ILE 178 N -0.48 2.14 0.24 2.22 1.01 0.72 -1.11 121.20 125.95 1yau s ILE 178 Ca 0.06 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 59.75 1yau s ILE 178 Cb -0.12 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 1yau s ILE 178 CO 0.02 0.46 -0.04 0.42 0.00 0.00 0.00 174.94 175.79 1yau s THR 179 N 1.27 1.31 0.05 2.92 -4.23 -0.91 -1.96 115.64 114.09 1yau s THR 179 Ca 0.03 -2.08 -0.26 0.00 -1.18 0.00 0.00 61.69 58.20 1yau s THR 179 Cb -0.14 -2.32 -0.17 0.00 1.34 0.00 0.00 72.50 71.21 1yau s THR 179 CO -0.11 -0.37 1.50 -0.09 -0.54 0.00 0.00 174.62 175.00 1yau h ARG 180 N 2.43 -0.35 -0.51 3.99 9.65 -1.88 0.29 114.38 128.00 1yau h ARG 180 Ca -0.39 0.02 0.10 0.00 -1.10 0.00 0.00 59.98 58.61 1yau h ARG 180 Cb 1.22 0.08 -0.10 0.00 -1.39 0.00 0.00 29.97 29.78 1yau h ARG 180 CO 0.65 -0.13 -0.30 -0.22 2.80 0.00 0.00 179.97 182.78 1yau h LYS 181 N -0.53 -0.17 -0.01 0.20 3.11 -1.97 -3.23 116.57 113.97 1yau h LYS 181 Ca -0.04 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1yau h LYS 181 Cb 0.39 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.66 1yau h LYS 181 CO 0.06 -0.11 -0.20 -0.25 -2.81 0.00 0.00 179.45 176.14 1yau n ASP 182 N -5.42 1.09 0.00 4.20 8.00 -1.25 -5.11 116.55 118.06 1yau n ASP 182 Ca 0.03 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1yau n ASP 182 Cb 0.34 0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.94 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 0.86 0.22 3.68 0.44 0.00 0.10 -4.66 105.19 105.84 1yau n GLY 183 Ca 0.04 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 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 3.20 -0.10 1.61 6.14 -1.10 -2.14 117.35 124.96 1yau s TYR 184 Ca 0.00 1.29 -0.01 0.00 0.64 0.00 0.00 57.07 58.99 1yau s TYR 184 Cb 0.00 -3.37 0.03 0.00 0.42 0.00 0.00 41.96 39.04 1yau s TYR 184 CO 0.00 -1.03 -0.04 0.08 0.64 0.00 0.00 175.55 175.20 1yau s VAL 185 N 2.67 0.71 -0.35 3.14 1.01 -0.27 -5.01 120.40 122.31 1yau s VAL 185 Ca 0.52 -0.10 -0.26 0.00 0.00 0.00 0.00 61.98 62.14 1yau s VAL 185 Cb -0.21 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.38 1yau s VAL 185 CO 0.16 0.30 0.92 -1.58 0.00 0.00 0.00 175.10 174.90 1yau s GLN 186 N 1.84 3.90 0.36 2.72 0.74 -1.26 -0.99 119.66 126.97 1yau s GLN 186 Ca 0.05 0.66 -0.28 0.00 0.05 0.00 0.00 55.36 55.84 1yau s GLN 186 Cb -0.13 -3.78 -0.12 0.00 1.10 0.00 0.00 33.01 30.09 1yau s GLN 186 CO -0.07 -0.88 1.40 1.28 -0.55 0.00 0.00 175.29 176.47 1yau n LEU 187 N 6.66 4.25 -4.77 3.68 4.77 -0.34 -4.96 117.00 126.28 1yau n LEU 187 Ca 0.07 1.22 -0.36 0.00 -0.03 0.00 0.00 56.01 56.90 1yau n LEU 187 Cb 0.48 -1.56 -0.01 0.00 -2.33 0.00 0.00 43.42 40.00 1yau n LEU 187 CO 0.56 -0.13 0.80 -2.84 -1.33 0.00 0.00 177.39 174.46 1yau s PRO 188 N -2.02 3.65 0.26 3.23 0.02 -1.26 -4.74 135.00 134.14 1yau s PRO 188 Ca 0.54 1.69 -0.05 0.00 0.02 0.00 0.00 61.00 63.21 1yau s PRO 188 Cb -0.52 -2.27 0.30 0.00 0.02 0.00 0.00 34.50 32.04 1yau s PRO 188 CO 0.63 -0.62 1.93 1.15 -0.33 0.00 0.00 177.00 179.76 1yau h THR 189 N 1.66 1.23 -0.38 0.99 2.02 -1.95 -2.19 112.91 114.30 1yau h THR 189 Ca -0.50 -0.45 -0.05 0.00 0.77 0.00 0.00 66.41 66.19 1yau h THR 189 Cb 1.25 -0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1yau h THR 189 CO 0.59 0.24 0.04 -2.24 0.37 0.00 0.00 175.52 174.52 1yau h ASP 190 N 1.31 0.55 -0.64 4.18 2.03 -1.98 0.23 116.42 122.10 1yau h ASP 190 Ca 0.37 -0.10 -0.07 0.00 -0.73 0.00 0.00 57.03 56.50 1yau h ASP 190 Cb -0.12 -0.14 -0.03 0.00 -0.83 0.00 0.00 39.33 38.21 1yau h ASP 190 CO -0.09 0.59 0.13 -0.61 -1.03 0.00 0.00 179.24 178.24 1yau h GLN 191 N 0.57 1.04 -0.38 4.15 4.15 -1.78 -0.91 115.11 121.94 1yau h GLN 191 Ca 0.12 -0.27 -0.07 0.00 0.77 0.00 0.00 58.65 59.21 1yau h GLN 191 Cb 0.31 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 1yau h GLN 191 CO 0.01 0.95 -0.05 0.82 -1.93 0.00 0.00 178.83 178.63 1yau h ILE 192 N 0.96 1.27 -0.89 2.39 2.04 -1.07 -1.95 117.51 120.26 1yau h ILE 192 Ca 0.20 -1.09 0.03 0.00 1.00 0.00 0.00 64.86 65.00 1yau h ILE 192 Cb 0.40 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 1yau h ILE 192 CO 0.01 0.36 0.59 -0.33 0.00 0.00 0.00 178.15 178.78 1yau h GLU 193 N 0.52 1.10 -0.73 2.37 5.08 -0.51 -0.40 114.58 122.02 1yau h GLU 193 Ca 0.10 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1yau h GLU 193 Cb 0.54 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1yau h GLU 193 CO 0.03 0.73 0.31 1.03 -1.00 0.00 0.00 179.01 180.10 1yau h SER 194 N 1.13 0.99 -0.28 1.42 0.87 -1.03 -2.17 113.55 114.48 1yau h SER 194 Ca 0.35 -0.16 -0.12 0.00 -1.23 0.00 0.00 61.79 60.63 1yau h SER 194 Cb -0.01 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.69 1yau h SER 194 CO -0.10 0.88 -0.28 0.03 -0.53 0.00 0.00 176.83 176.84 1yau h ARG 195 N 1.04 0.68 -0.78 2.24 3.08 -0.61 0.86 114.38 120.90 1yau h ARG 195 Ca 0.24 -0.36 0.11 0.00 0.07 0.00 0.00 59.98 60.04 1yau h ARG 195 Cb 0.19 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 1yau h ARG 195 CO -0.02 0.97 0.51 0.82 -1.07 0.00 0.00 179.97 181.18 1yau h ILE 196 N 0.42 0.91 0.04 2.04 2.04 -1.04 0.21 117.51 122.15 1yau h ILE 196 Ca 0.05 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 1yau h ILE 196 Cb 0.84 0.20 0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1yau h ILE 196 CO 0.07 0.12 -0.28 -0.09 0.00 0.00 0.00 178.15 177.96 1yau h ARG 197 N 0.65 0.12 -0.34 2.37 2.43 -1.26 -0.35 114.38 118.00 1yau h ARG 197 Ca 0.36 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1yau h ARG 197 Cb 0.53 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1yau h ARG 197 CO -0.14 1.06 0.18 -0.22 -1.51 0.00 0.00 179.97 179.34 1yau h LYS 198 N -0.73 0.46 0.00 0.20 3.64 -0.58 -2.96 116.57 116.60 1yau h LYS 198 Ca -0.05 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1yau h LYS 198 Cb 1.19 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1yau h LYS 198 CO 0.05 0.35 -0.67 -0.07 -2.27 0.00 0.00 179.45 176.84 1yau h LEU 199 N 0.47 0.00 -0.33 5.20 3.38 -0.62 -3.49 115.31 119.92 1yau h LEU 199 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1yau h LEU 199 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1yau h LEU 199 CO -0.02 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.24 1yau n GLY 200 N 1.19 0.62 0.64 0.83 0.00 -0.86 -5.08 105.19 102.52 1yau n GLY 200 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.17 0.00 -3.69 0.99 4.77 -0.20 -5.04 117.00 113.66 1yau n LEU 201 Ca 0.00 -0.57 -0.05 0.00 -0.03 0.00 0.00 56.01 55.37 1yau n LEU 201 Cb 0.10 0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1yau n LEU 201 CO 0.00 -0.08 0.71 0.27 -1.33 0.00 0.00 177.39 176.96 1yau s ILE 202 N -1.46 0.00 0.00 -0.08 -4.36 -1.26 -4.84 121.20 109.19 1yau s ILE 202 Ca 0.01 -0.49 0.00 0.00 -0.26 0.00 0.00 60.65 59.91 1yau s ILE 202 Cb 0.00 -1.74 0.00 0.00 1.25 0.00 0.00 42.46 41.97 1yau s ILE 202 CO 0.01 0.00 0.00 -0.11 0.24 0.00 0.00 174.94 175.08