#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yar s THR 2 N 0.00 0.45 0.14 12.58 2.01 -1.26 -0.97 115.64 128.59 1yar s THR 2 Ca 0.00 -0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.04 1yar s THR 2 Cb 0.00 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 1yar s THR 2 CO 0.00 0.23 -0.12 0.42 -0.69 0.00 0.00 174.62 174.46 1yar s THR 3 N 1.34 1.28 -0.05 -0.82 -4.23 -0.78 -2.37 115.64 110.02 1yar s THR 3 Ca -0.04 -1.92 -0.14 0.00 -1.18 0.00 0.00 61.69 58.40 1yar s THR 3 Cb -0.13 -1.72 0.03 0.00 1.34 0.00 0.00 72.50 72.02 1yar s THR 3 CO -0.02 -0.60 0.32 0.54 -0.54 0.00 0.00 174.62 174.32 1yar s VAL 4 N -2.78 0.04 -0.04 2.29 0.11 0.37 -1.83 120.40 118.55 1yar s VAL 4 Ca 0.14 -0.32 0.01 0.00 -2.93 0.00 0.00 61.98 58.88 1yar s VAL 4 Cb -0.01 -0.57 0.02 0.00 -1.53 0.00 0.00 36.38 34.29 1yar s VAL 4 CO 0.02 -0.17 -0.06 -0.83 -3.33 0.00 0.00 175.10 170.73 1yar s GLY 5 N -0.83 0.46 0.11 6.54 0.00 -0.33 -0.91 107.32 112.37 1yar s GLY 5 Ca -0.09 -0.12 0.07 0.00 0.00 0.00 0.00 44.72 44.58 1yar s GLY 5 CO 0.03 0.29 -0.17 -0.26 0.00 0.00 0.00 173.10 172.98 1yar s ILE 6 N 0.70 1.52 -0.00 0.90 -4.36 0.65 -1.23 121.20 119.38 1yar s ILE 6 Ca -0.10 -1.61 0.00 0.00 -0.26 0.00 0.00 60.65 58.69 1yar s ILE 6 Cb -0.13 -1.50 -0.04 0.00 1.25 0.00 0.00 42.46 42.04 1yar s ILE 6 CO 0.01 -0.23 0.06 0.42 0.24 0.00 0.00 174.94 175.43 1yar s THR 7 N -1.59 4.54 0.45 8.37 -4.23 0.08 -1.63 115.64 121.63 1yar s THR 7 Ca 0.07 -0.48 0.03 0.00 -1.18 0.00 0.00 61.69 60.13 1yar s THR 7 Cb -0.08 -3.07 -0.01 0.00 1.34 0.00 0.00 72.50 70.68 1yar s THR 7 CO 0.04 0.35 0.11 -0.76 -0.54 0.00 0.00 174.62 173.82 1yar s LEU 8 N -1.70 2.03 0.17 4.79 1.43 0.19 -4.93 118.68 120.66 1yar s LEU 8 Ca 0.22 -1.73 -0.28 0.00 -1.03 0.00 0.00 54.13 51.32 1yar s LEU 8 Cb -0.12 -0.19 0.01 0.00 0.03 0.00 0.00 46.19 45.92 1yar s LEU 8 CO 0.13 -0.98 1.55 0.11 0.23 0.00 0.00 176.35 177.39 1yar h LYS 9 N 1.62 -0.06 -0.31 1.70 1.57 -1.83 -2.98 116.57 116.28 1yar h LYS 9 Ca -0.36 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.18 1yar h LYS 9 Cb 1.29 0.01 -0.28 0.00 0.08 0.00 0.00 32.23 33.33 1yar h LYS 9 CO 0.58 -0.04 -0.82 -0.25 -0.57 0.00 0.00 179.45 178.35 1yar n ASP 10 N -5.33 2.50 -3.67 0.86 10.43 -1.26 -4.70 116.55 115.38 1yar n ASP 10 Ca 0.03 -3.12 -0.11 0.00 2.57 0.00 0.00 54.79 54.16 1yar n ASP 10 Cb 0.31 -0.42 -0.06 0.00 1.84 0.00 0.00 41.12 42.80 1yar n ASP 10 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1yar s ALA 11 N -2.81 -0.88 -0.04 2.24 0.00 -1.13 -4.50 121.76 114.64 1yar s ALA 11 Ca 0.39 0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.43 1yar s ALA 11 Cb 0.38 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 24.03 1yar s ALA 11 CO -0.05 -0.56 -0.20 0.08 0.00 0.00 0.00 175.76 175.04 1yar s VAL 12 N -3.29 1.61 -0.09 0.00 1.01 -0.86 -0.64 120.40 118.13 1yar s VAL 12 Ca -0.00 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1yar s VAL 12 Cb 0.01 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 35.02 1yar s VAL 12 CO -0.08 0.46 -0.21 -0.63 0.00 0.00 0.00 175.10 174.64 1yar s ILE 13 N -0.09 1.81 0.05 2.22 1.01 -0.65 -0.51 121.20 125.05 1yar s ILE 13 Ca -0.02 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 59.82 1yar s ILE 13 Cb -0.12 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 1yar s ILE 13 CO 0.02 0.50 -0.18 -0.04 0.00 0.00 0.00 174.94 175.24 1yar s MET 14 N 0.45 1.18 0.04 2.79 -1.94 -0.68 -0.25 119.30 120.88 1yar s MET 14 Ca -0.17 -0.90 -0.18 0.00 -1.71 0.00 0.00 55.69 52.72 1yar s MET 14 Cb -0.17 -1.27 0.04 0.00 2.01 0.00 0.00 34.83 35.43 1yar s MET 14 CO 0.07 0.32 0.41 0.00 -0.01 0.00 0.00 175.02 175.81 1yar s ALA 15 N -0.87 -0.99 0.25 3.03 0.00 -0.08 -0.81 121.76 122.28 1yar s ALA 15 Ca 0.05 0.32 -0.05 0.00 0.00 0.00 0.00 51.96 52.28 1yar s ALA 15 Cb -0.09 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 1yar s ALA 15 CO 0.02 -0.44 0.33 0.95 0.00 0.00 0.00 175.76 176.62 1yar s THR 16 N -2.36 0.00 0.00 0.00 -4.23 -0.45 -0.48 115.64 108.12 1yar s THR 16 Ca -0.06 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1yar s THR 16 Cb -0.01 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.42 1yar s THR 16 CO -0.02 0.00 0.00 -1.84 -0.54 0.00 0.00 174.62 172.22 1yar n GLU 17 N -0.38 2.78 0.00 3.99 -0.00 -1.00 -0.69 120.64 125.34 1yar n GLU 17 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.17 1yar n GLU 17 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.07 1yar n GLU 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1yar n ARG 18 N -0.18 0.17 -2.59 3.44 1.74 -0.50 -4.63 116.66 114.11 1yar n ARG 18 Ca 0.00 -0.46 -0.41 0.00 -0.77 0.00 0.00 57.85 56.21 1yar n ARG 18 Cb 0.00 -0.54 -0.04 0.00 -1.02 0.00 0.00 32.46 30.86 1yar n ARG 18 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1yar s ARG 19 N -0.06 4.61 -0.18 5.56 3.52 -0.89 0.06 118.95 131.57 1yar s ARG 19 Ca 0.00 1.61 0.01 0.00 -0.13 0.00 0.00 55.73 57.21 1yar s ARG 19 Cb 0.00 -3.34 0.02 0.00 -1.56 0.00 0.00 34.95 30.07 1yar s ARG 19 CO 0.00 0.07 -0.19 0.08 -0.81 0.00 0.00 175.30 174.45 1yar s VAL 20 N 0.12 2.01 0.24 7.11 1.01 -0.02 -4.70 120.40 126.16 1yar s VAL 20 Ca 0.50 -0.91 0.10 0.00 0.00 0.00 0.00 61.98 61.67 1yar s VAL 20 Cb -0.27 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1yar s VAL 20 CO 0.32 0.53 -0.09 0.42 0.00 0.00 0.00 175.10 176.28 1yar s THR 21 N 1.31 3.10 -0.28 3.92 -4.23 -1.26 -1.46 115.64 116.73 1yar s THR 21 Ca 0.05 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 58.64 1yar s THR 21 Cb -0.13 -2.60 0.08 0.00 1.34 0.00 0.00 72.50 71.18 1yar s THR 21 CO -0.13 -0.28 -0.01 -0.32 -0.54 0.00 0.00 174.62 173.34 1yar s MET 22 N -3.30 1.60 6.39 3.99 -2.45 0.45 -4.91 119.30 121.08 1yar s MET 22 Ca 0.28 -1.38 0.00 0.00 -1.25 0.00 0.00 55.69 53.35 1yar s MET 22 Cb -0.07 -2.79 0.00 0.00 1.25 0.00 0.00 34.83 33.22 1yar s MET 22 CO 0.17 -0.75 0.00 -1.91 1.05 0.00 0.00 175.02 173.57 1yar n GLU 23 N 4.50 0.00 0.00 4.11 4.07 -1.26 -1.23 120.64 130.83 1yar n GLU 23 Ca -0.06 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.18 1yar n GLU 23 Cb 0.43 0.00 0.65 0.00 -0.06 0.00 0.00 31.44 32.45 1yar n GLU 23 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1yar n ASN 24 N 6.52 0.39 -4.60 4.31 0.23 -1.26 -4.86 115.26 116.00 1yar n ASN 24 Ca 0.00 -0.54 -0.42 0.00 -0.53 0.00 0.00 54.58 53.09 1yar n ASN 24 Cb 0.00 -0.10 -0.05 0.00 -2.08 0.00 0.00 39.78 37.55 1yar n ASN 24 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1yar s PHE 25 N -2.46 3.15 -0.80 -2.53 5.99 -0.36 -4.99 117.98 115.98 1yar s PHE 25 Ca 0.30 0.65 -0.24 0.00 0.00 0.00 0.00 56.93 57.63 1yar s PHE 25 Cb 0.20 -3.30 0.06 0.00 0.00 0.00 0.00 43.02 39.98 1yar s PHE 25 CO 0.47 -0.65 1.21 0.42 -0.00 0.00 0.00 175.22 176.66 1yar s ILE 26 N 3.01 4.05 0.03 3.12 1.01 -1.26 -0.41 121.20 130.75 1yar s ILE 26 Ca 0.31 -0.28 -0.10 0.00 0.00 0.00 0.00 60.65 60.58 1yar s ILE 26 Cb -0.14 -4.87 -0.32 0.00 0.01 0.00 0.00 42.46 37.15 1yar s ILE 26 CO 0.15 -1.72 0.99 0.24 0.00 0.00 0.00 174.94 174.59 1yar h MET 27 N 9.71 0.41 -3.94 2.79 2.86 -1.61 -3.46 114.93 121.69 1yar h MET 27 Ca -0.13 -0.69 -0.38 0.00 -2.06 0.00 0.00 59.70 56.44 1yar h MET 27 Cb 1.04 0.26 -0.33 0.00 0.06 0.00 0.00 31.60 32.63 1yar h MET 27 CO 1.26 1.32 -0.76 -1.01 1.06 0.00 0.00 176.91 178.78 1yar s HIS 28 N -2.62 0.56 -0.46 -0.22 3.76 -0.99 -5.01 115.29 110.32 1yar s HIS 28 Ca -0.08 -0.12 0.23 0.00 -0.15 0.00 0.00 55.06 54.94 1yar s HIS 28 Cb 0.05 -0.53 0.19 0.00 1.11 0.00 0.00 32.58 33.40 1yar s HIS 28 CO 0.91 -0.15 1.21 0.87 -0.85 0.00 0.00 174.74 176.73 1yar h LYS 29 N 7.08 0.00 -1.57 1.40 1.57 -1.87 -0.01 116.57 123.17 1yar h LYS 29 Ca -0.39 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.90 1yar h LYS 29 Cb 1.15 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.05 1yar h LYS 29 CO 0.48 0.00 -0.97 0.09 -0.57 0.00 0.00 179.45 178.48 1yar n ASN 30 N -2.41 2.74 -4.83 0.86 3.02 -1.23 -4.21 115.26 109.21 1yar n ASN 30 Ca 0.02 -3.22 -0.32 0.00 -0.03 0.00 0.00 54.58 51.03 1yar n ASN 30 Cb 0.49 -0.53 0.02 0.00 -0.61 0.00 0.00 39.78 39.14 1yar n ASN 30 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1yar s GLY 31 N -3.15 1.88 -0.16 7.41 0.00 0.11 -5.04 107.32 108.36 1yar s GLY 31 Ca 0.39 0.17 -0.04 0.00 0.00 0.00 0.00 44.72 45.24 1yar s GLY 31 CO -0.08 0.47 -0.02 1.25 0.00 0.00 0.00 173.10 174.72 1yar s LYS 32 N -4.60 3.71 0.00 2.90 2.20 -1.26 -4.50 119.74 118.19 1yar s LYS 32 Ca 0.59 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 1yar s LYS 32 Cb -0.13 -2.96 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 1yar s LYS 32 CO 0.45 0.26 0.20 1.63 -0.36 0.00 0.00 175.35 177.54 1yar n LYS 33 N 3.49 0.17 -4.60 4.03 5.02 -1.26 -5.00 118.16 120.01 1yar n LYS 33 Ca -0.17 -0.20 -0.27 0.00 -2.02 0.00 0.00 58.31 55.64 1yar n LYS 33 Cb 0.52 -0.66 -0.17 0.00 -0.02 0.00 0.00 35.03 34.71 1yar n LYS 33 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1yar s LEU 34 N -0.17 1.70 -0.01 -0.35 2.96 -1.26 -1.36 118.68 120.19 1yar s LEU 34 Ca 0.00 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1yar s LEU 34 Cb 0.00 -0.98 0.00 0.00 0.50 0.00 0.00 46.19 45.71 1yar s LEU 34 CO 0.00 0.04 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.66 1yar s PHE 35 N 0.77 0.50 -0.04 5.38 0.08 0.03 -4.99 117.98 119.71 1yar s PHE 35 Ca -0.12 -0.10 -0.30 0.00 0.12 0.00 0.00 56.93 56.54 1yar s PHE 35 Cb -0.16 -0.35 -0.03 0.00 -0.57 0.00 0.00 43.02 41.92 1yar s PHE 35 CO 0.02 -0.03 1.05 -1.14 -0.10 0.00 0.00 175.22 175.02 1yar s GLN 36 N 0.04 4.46 -0.00 0.44 0.74 -1.26 -0.66 119.66 123.41 1yar s GLN 36 Ca 0.00 1.49 0.06 0.00 0.05 0.00 0.00 55.36 56.96 1yar s GLN 36 Cb -0.04 -3.49 -0.07 0.00 1.10 0.00 0.00 33.01 30.51 1yar s GLN 36 CO -0.00 -0.24 0.23 0.44 -0.55 0.00 0.00 175.29 175.17 1yar n ILE 37 N 4.26 0.00 -3.89 -2.34 -5.35 -0.21 -4.94 119.36 106.89 1yar n ILE 37 Ca 0.08 -0.34 -0.09 0.00 -0.27 0.00 0.00 62.75 62.13 1yar n ILE 37 Cb 0.49 0.93 -0.01 0.00 -1.74 0.00 0.00 39.64 39.31 1yar n ILE 37 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1yar s ASP 38 N -1.67 0.10 0.24 7.28 2.15 -1.03 -4.48 116.67 119.26 1yar s ASP 38 Ca 0.02 -1.06 -0.07 0.00 0.43 0.00 0.00 52.55 51.87 1yar s ASP 38 Cb 0.04 0.76 0.41 0.00 -0.30 0.00 0.00 42.92 43.84 1yar s ASP 38 CO 0.23 -1.48 1.68 0.74 -0.17 0.00 0.00 175.17 176.17 1yar h THR 39 N 2.05 0.51 -0.61 1.71 2.02 -1.97 -2.64 112.91 113.99 1yar h THR 39 Ca -0.28 -0.08 -0.44 0.00 0.77 0.00 0.00 66.41 66.39 1yar h THR 39 Cb 1.25 0.26 -0.38 0.00 -1.74 0.00 0.00 68.15 67.54 1yar h THR 39 CO 0.36 0.04 -0.83 -1.22 0.37 0.00 0.00 175.52 174.24 1yar n TYR 40 N -5.19 2.18 -3.92 3.16 4.01 -1.26 -3.20 117.16 112.93 1yar n TYR 40 Ca 0.13 -2.09 -0.16 0.00 -0.16 0.00 0.00 57.90 55.62 1yar n TYR 40 Cb 0.43 -0.31 -0.16 0.00 -0.31 0.00 0.00 39.34 38.99 1yar n TYR 40 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1yar s THR 41 N -4.24 0.13 0.24 -0.72 2.01 -1.00 -1.73 115.64 110.34 1yar s THR 41 Ca 0.46 0.06 0.11 0.00 0.31 0.00 0.00 61.69 62.63 1yar s THR 41 Cb 0.39 -0.21 -0.05 0.00 0.01 0.00 0.00 72.50 72.65 1yar s THR 41 CO 0.01 0.11 -0.19 -0.83 -0.69 0.00 0.00 174.62 173.03 1yar s GLY 42 N 0.75 1.71 -0.00 4.40 0.00 0.10 -1.04 107.32 113.24 1yar s GLY 42 Ca -0.07 -1.75 0.01 0.00 0.00 0.00 0.00 44.72 42.91 1yar s GLY 42 CO -0.02 -1.83 -0.04 -0.29 0.00 0.00 0.00 173.10 170.92 1yar s MET 43 N -3.32 0.33 0.15 2.90 1.75 0.16 -1.42 119.30 119.85 1yar s MET 43 Ca 0.25 -0.17 0.08 0.00 -1.25 0.00 0.00 55.69 54.60 1yar s MET 43 Cb -0.05 -0.31 -0.04 0.00 2.84 0.00 0.00 34.83 37.28 1yar s MET 43 CO 0.12 0.08 -0.09 0.95 -0.65 0.00 0.00 175.02 175.43 1yar s THR 44 N -0.15 3.33 -0.00 10.11 -4.23 -0.35 -0.79 115.64 123.56 1yar s THR 44 Ca 0.01 -1.46 0.08 0.00 -1.18 0.00 0.00 61.69 59.13 1yar s THR 44 Cb -0.02 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 71.19 1yar s THR 44 CO -0.00 -0.01 -0.24 0.27 -0.54 0.00 0.00 174.62 174.10 1yar s ILE 45 N -1.49 1.87 0.05 2.99 -4.36 -0.47 -2.59 121.20 117.21 1yar s ILE 45 Ca 0.24 -1.08 -0.04 0.00 -0.26 0.00 0.00 60.65 59.50 1yar s ILE 45 Cb -0.10 -1.57 -0.02 0.00 1.25 0.00 0.00 42.46 42.02 1yar s ILE 45 CO 0.15 0.46 0.06 0.00 0.24 0.00 0.00 174.94 175.85 1yar s ALA 46 N -0.62 0.13 0.00 2.27 0.00 -0.74 -4.91 121.76 117.89 1yar s ALA 46 Ca 0.09 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1yar s ALA 46 Cb -0.09 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.32 1yar s ALA 46 CO -0.00 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1yar n GLY 47 N 0.42 0.11 3.66 0.00 0.00 -1.26 -1.64 105.19 106.47 1yar n GLY 47 Ca -0.17 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 1yar n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1yar s LEU 48 N 0.00 4.20 0.14 0.99 2.96 -0.21 -4.91 118.68 121.85 1yar s LEU 48 Ca 0.00 1.86 -0.18 0.00 -0.22 0.00 0.00 54.13 55.59 1yar s LEU 48 Cb 0.00 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 1yar s LEU 48 CO 0.00 -0.85 1.80 0.58 -1.32 0.00 0.00 176.35 176.55 1yar h VAL 49 N 5.57 1.08 -0.80 1.68 2.07 -1.92 -1.92 116.25 122.01 1yar h VAL 49 Ca -0.31 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.09 1yar h VAL 49 Cb 1.13 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 1yar h VAL 49 CO 0.97 0.08 0.50 1.23 0.02 0.00 0.00 177.57 180.37 1yar h GLY 50 N 0.42 1.16 0.87 2.17 0.00 -2.00 -0.46 103.07 105.24 1yar h GLY 50 Ca 0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1yar h GLY 50 CO -0.02 0.31 0.06 -0.55 0.00 0.00 0.00 176.54 176.33 1yar h ASP 51 N 0.97 0.23 -0.67 0.19 3.32 -1.90 -2.60 116.42 115.97 1yar h ASP 51 Ca 0.32 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1yar h ASP 51 Cb 0.04 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1yar h ASP 51 CO -0.12 0.35 0.40 0.00 -1.72 0.00 0.00 179.24 178.14 1yar h ALA 52 N 0.89 0.85 -0.60 3.45 0.00 -0.96 -2.15 119.26 120.73 1yar h ALA 52 Ca 0.05 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1yar h ALA 52 Cb 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1yar h ALA 52 CO -0.00 0.33 0.10 1.96 0.00 0.00 0.00 179.25 181.64 1yar h GLN 53 N 0.91 0.97 -0.52 0.00 4.20 -1.07 -0.63 115.11 118.98 1yar h GLN 53 Ca 0.24 -0.24 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1yar h GLN 53 Cb -0.02 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.60 1yar h GLN 53 CO -0.04 0.90 0.30 0.28 -0.67 0.00 0.00 178.83 179.59 1yar h VAL 54 N 0.92 1.02 -0.48 -0.54 2.07 -1.30 -1.93 116.25 116.02 1yar h VAL 54 Ca 0.19 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 1yar h VAL 54 Cb 0.40 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1yar h VAL 54 CO 0.01 0.11 0.01 -0.07 0.02 0.00 0.00 177.57 177.65 1yar h LEU 55 N 0.58 0.76 -0.41 2.57 3.38 -0.71 -0.89 115.31 120.60 1yar h LEU 55 Ca 0.21 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1yar h LEU 55 Cb 0.06 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1yar h LEU 55 CO -0.11 0.82 0.14 0.58 0.09 0.00 0.00 178.44 179.95 1yar h VAL 56 N 0.74 1.21 -0.08 1.22 2.07 -0.86 0.51 116.25 121.07 1yar h VAL 56 Ca 0.15 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1yar h VAL 56 Cb 0.44 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1yar h VAL 56 CO 0.02 0.24 0.04 0.03 0.02 0.00 0.00 177.57 177.92 1yar h ARG 57 N 0.51 0.09 -0.04 1.57 3.08 -1.10 -0.03 114.38 118.47 1yar h ARG 57 Ca 0.13 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1yar h ARG 57 Cb 0.24 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1yar h ARG 57 CO -0.01 0.06 -0.07 -0.92 -1.07 0.00 0.00 179.97 177.96 1yar h TYR 58 N 0.09 -0.18 -0.66 3.04 3.20 -1.03 -1.69 116.97 119.75 1yar h TYR 58 Ca 0.03 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1yar h TYR 58 Cb -0.00 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 1yar h TYR 58 CO -0.08 -0.11 0.44 0.52 -1.64 0.00 0.00 178.16 177.28 1yar h MET 59 N -0.11 0.87 -0.36 1.82 2.86 -0.69 0.26 114.93 119.58 1yar h MET 59 Ca 0.04 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.68 1yar h MET 59 Cb 0.17 -0.20 -0.05 0.00 0.06 0.00 0.00 31.60 31.58 1yar h MET 59 CO -0.10 0.58 0.07 0.87 1.06 0.00 0.00 176.91 179.38 1yar h LYS 60 N 0.90 0.18 0.06 1.72 1.57 -0.86 -1.14 116.57 119.00 1yar h LYS 60 Ca 0.24 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1yar h LYS 60 Cb -0.10 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1yar h LYS 60 CO -0.05 0.12 -0.03 0.00 -0.57 0.00 0.00 179.45 178.92 1yar h ALA 61 N 1.28 -0.08 -0.53 3.86 0.00 -0.57 -2.54 119.26 120.67 1yar h ALA 61 Ca 0.17 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1yar h ALA 61 Cb 0.20 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1yar h ALA 61 CO -0.23 -0.44 0.04 1.49 0.00 0.00 0.00 179.25 180.12 1yar h GLU 62 N -0.29 0.90 -0.29 0.00 4.57 -0.38 -1.25 114.58 117.83 1yar h GLU 62 Ca -0.01 -0.26 -0.10 0.00 -1.18 0.00 0.00 59.36 57.81 1yar h GLU 62 Cb 0.26 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1yar h GLU 62 CO 0.01 0.90 -0.22 -0.07 -1.18 0.00 0.00 179.01 178.45 1yar h LEU 63 N 0.78 0.55 -0.13 1.64 3.38 -1.27 0.61 115.31 120.87 1yar h LEU 63 Ca 0.16 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1yar h LEU 63 Cb 0.47 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1yar h LEU 63 CO 0.02 0.77 0.01 -0.08 0.09 0.00 0.00 178.44 179.25 1yar h GLU 64 N 0.49 0.22 -0.37 1.13 4.81 -1.27 -1.31 114.58 118.29 1yar h GLU 64 Ca 0.07 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1yar h GLU 64 Cb 0.65 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 1yar h GLU 64 CO 0.05 0.43 0.16 1.25 -0.73 0.00 0.00 179.01 180.17 1yar h LEU 65 N -0.02 0.22 -0.44 1.64 5.85 -1.06 -2.28 115.31 119.22 1yar h LEU 65 Ca 0.04 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1yar h LEU 65 Cb 0.32 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1yar h LEU 65 CO 0.00 0.17 0.25 0.22 -0.34 0.00 0.00 178.44 178.74 1yar h TYR 66 N 0.34 0.60 -0.70 1.25 5.03 -0.78 -0.28 116.97 122.44 1yar h TYR 66 Ca 0.16 -0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.55 1yar h TYR 66 Cb 0.09 -0.19 -0.07 0.00 1.55 0.00 0.00 36.73 38.11 1yar h TYR 66 CO -0.12 0.45 0.35 -0.09 -1.32 0.00 0.00 178.16 177.43 1yar h ARG 67 N 0.58 0.59 -0.15 1.82 2.43 -1.15 0.32 114.38 118.83 1yar h ARG 67 Ca 0.16 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.16 1yar h ARG 67 Cb 0.04 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1yar h ARG 67 CO -0.03 0.39 -0.48 -0.07 -1.51 0.00 0.00 179.97 178.27 1yar h LEU 68 N 0.61 0.42 0.06 3.80 3.38 -0.88 -1.03 115.31 121.66 1yar h LEU 68 Ca 0.34 -0.20 -0.23 0.00 0.09 0.00 0.00 57.88 57.87 1yar h LEU 68 Cb 0.34 -0.12 0.02 0.00 0.09 0.00 0.00 40.66 40.99 1yar h LEU 68 CO -0.26 0.84 -0.95 1.56 0.09 0.00 0.00 178.44 179.72 1yar h GLN 69 N 0.31 0.54 0.00 1.13 4.20 -0.56 -3.36 115.11 117.38 1yar h GLN 69 Ca 0.02 -0.66 0.00 0.00 0.06 0.00 0.00 58.65 58.06 1yar h GLN 69 Cb 0.96 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1yar h GLN 69 CO 0.08 1.27 -1.02 0.54 -0.67 0.00 0.00 178.83 179.03 1yar n ARG 70 N -3.98 0.36 -1.47 1.46 3.00 0.11 -4.96 116.66 111.19 1yar n ARG 70 Ca -0.12 0.02 -0.16 0.00 -0.01 0.00 0.00 57.85 57.58 1yar n ARG 70 Cb 0.85 -1.64 -0.07 0.00 0.00 0.00 0.00 32.46 31.60 1yar n ARG 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1yar n ARG 71 N -2.12 -1.45 -3.90 5.56 5.12 -0.39 -4.98 116.66 114.51 1yar n ARG 71 Ca 0.01 1.06 -0.09 0.00 -1.93 0.00 0.00 57.85 56.90 1yar n ARG 71 Cb 0.46 -5.40 -0.09 0.00 -1.16 0.00 0.00 32.46 26.28 1yar n ARG 71 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1yar s VAL 72 N -2.43 0.13 0.44 1.55 -7.23 -1.24 -5.05 120.40 106.58 1yar s VAL 72 Ca 0.00 -1.11 -0.25 0.00 -1.81 0.00 0.00 61.98 58.81 1yar s VAL 72 Cb 0.00 -1.05 -0.08 0.00 0.56 0.00 0.00 36.38 35.82 1yar s VAL 72 CO 0.00 -0.61 1.25 0.20 -0.31 0.00 0.00 175.10 175.63 1yar s ASN 73 N -2.34 6.18 0.14 4.85 -0.87 -1.26 -4.08 114.94 117.56 1yar s ASN 73 Ca -0.02 2.53 -0.32 0.00 -1.57 0.00 0.00 52.86 53.48 1yar s ASN 73 Cb 0.01 -2.63 -0.12 0.00 -0.02 0.00 0.00 41.25 38.50 1yar s ASN 73 CO -0.06 -0.93 1.75 0.80 -2.57 0.00 0.00 177.10 176.09 1yar n MET 74 N -0.17 2.61 -1.57 -0.60 0.00 -1.26 -4.94 117.12 111.18 1yar n MET 74 Ca 0.05 0.95 -0.41 0.00 -0.00 0.00 0.00 57.70 58.29 1yar n MET 74 Cb 0.45 -2.80 0.01 0.00 0.00 0.00 0.00 33.22 30.89 1yar n MET 74 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 1yar n PRO 75 N 4.74 1.12 -0.30 2.12 -0.02 -1.26 -4.76 135.00 136.64 1yar n PRO 75 Ca 0.18 0.40 -0.04 0.00 -2.02 0.00 0.00 63.50 62.02 1yar n PRO 75 Cb 0.34 -1.90 0.08 0.00 -0.02 0.00 0.00 33.50 32.00 1yar n PRO 75 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1yar h ILE 76 N 1.30 1.21 -0.23 4.25 1.08 -1.92 -0.72 117.51 122.48 1yar h ILE 76 Ca -0.43 -0.38 -0.03 0.00 -0.39 0.00 0.00 64.86 63.63 1yar h ILE 76 Cb 1.36 0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 1yar h ILE 76 CO 0.55 0.20 0.01 -0.08 -0.69 0.00 0.00 178.15 178.14 1yar h GLU 77 N 1.10 0.33 -0.49 2.37 4.81 -1.99 -2.29 114.58 118.42 1yar h GLU 77 Ca 0.30 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.38 1yar h GLU 77 Cb -0.12 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1yar h GLU 77 CO -0.07 0.35 -0.07 0.00 -0.73 0.00 0.00 179.01 178.50 1yar h ALA 78 N 1.69 0.94 -0.29 2.92 0.00 -1.51 -0.03 119.26 122.98 1yar h ALA 78 Ca 0.08 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1yar h ALA 78 Cb 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1yar h ALA 78 CO 0.00 0.62 0.09 0.28 0.00 0.00 0.00 179.25 180.25 1yar h VAL 79 N 0.80 0.91 -0.62 0.00 2.07 -0.92 0.11 116.25 118.61 1yar h VAL 79 Ca 0.14 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 1yar h VAL 79 Cb 0.58 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1yar h VAL 79 CO 0.04 0.04 0.10 0.00 0.02 0.00 0.00 177.57 177.77 1yar h ALA 80 N 1.19 0.82 -0.41 1.67 0.00 -1.22 -1.94 119.26 119.37 1yar h ALA 80 Ca 0.13 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1yar h ALA 80 Cb 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1yar h ALA 80 CO -0.14 0.58 0.14 1.15 0.00 0.00 0.00 179.25 180.98 1yar h THR 81 N 0.93 1.21 -0.01 0.00 2.02 -0.83 0.27 112.91 116.50 1yar h THR 81 Ca 0.19 -0.67 0.02 0.00 0.77 0.00 0.00 66.41 66.72 1yar h THR 81 Cb 0.43 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1yar h THR 81 CO 0.01 0.24 -0.14 0.25 0.37 0.00 0.00 175.52 176.26 1yar h LEU 82 N 0.51 -0.40 -0.95 2.58 5.85 -0.60 -1.32 115.31 120.99 1yar h LEU 82 Ca 0.13 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.93 1yar h LEU 82 Cb 0.23 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1yar h LEU 82 CO -0.01 -0.19 0.63 -0.07 -0.34 0.00 0.00 178.44 178.46 1yar h LEU 83 N -0.22 1.07 0.18 2.25 3.38 -1.28 -1.59 115.31 119.11 1yar h LEU 83 Ca 0.05 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1yar h LEU 83 Cb 0.29 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1yar h LEU 83 CO -0.14 0.76 -0.31 0.28 0.09 0.00 0.00 178.44 179.12 1yar h SER 84 N 1.26 -0.87 -0.43 -0.43 0.02 -0.53 -0.49 113.55 112.08 1yar h SER 84 Ca 0.36 0.09 0.08 0.00 -0.84 0.00 0.00 61.79 61.48 1yar h SER 84 Cb -0.10 0.32 -0.07 0.00 0.14 0.00 0.00 62.40 62.69 1yar h SER 84 CO -0.09 -0.41 0.02 0.78 -1.14 0.00 0.00 176.83 175.99 1yar h ASN 85 N -0.57 -0.13 -0.73 3.07 2.35 -0.97 0.26 115.58 118.87 1yar h ASN 85 Ca 0.02 0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1yar h ASN 85 Cb 0.57 0.16 -0.03 0.00 0.05 0.00 0.00 38.32 39.07 1yar h ASN 85 CO -0.14 -0.03 0.33 0.24 -1.65 0.00 0.00 177.43 176.18 1yar h MET 86 N 0.14 1.06 0.06 0.81 2.86 -1.07 -1.37 114.93 117.42 1yar h MET 86 Ca 0.21 -0.17 -0.27 0.00 -2.06 0.00 0.00 59.70 57.41 1yar h MET 86 Cb 0.30 -0.18 0.03 0.00 0.06 0.00 0.00 31.60 31.80 1yar h MET 86 CO -0.34 0.85 -1.11 -0.07 1.06 0.00 0.00 176.91 177.30 1yar h LEU 87 N 1.03 0.86 -0.96 1.22 4.07 -0.72 -3.21 115.31 117.60 1yar h LEU 87 Ca 0.25 -0.79 -0.06 0.00 0.08 0.00 0.00 57.88 57.37 1yar h LEU 87 Cb 0.15 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.60 1yar h LEU 87 CO -0.03 1.55 0.13 -1.13 -1.08 0.00 0.00 178.44 177.88 1yar h ASN 88 N 0.28 0.83 -0.63 -0.43 -0.73 -0.91 -2.71 115.58 111.28 1yar h ASN 88 Ca -0.16 -0.16 0.09 0.00 1.87 0.00 0.00 56.30 57.95 1yar h ASN 88 Cb 1.78 -0.22 -0.04 0.00 0.27 0.00 0.00 38.32 40.11 1yar h ASN 88 CO 0.21 0.81 0.42 1.56 -0.37 0.00 0.00 177.43 180.07 1yar h GLN 89 N 0.84 0.47 -0.60 6.67 4.20 -1.25 -1.56 115.11 123.89 1yar h GLN 89 Ca 0.18 -0.03 -0.29 0.00 0.06 0.00 0.00 58.65 58.57 1yar h GLN 89 Cb 0.32 -0.11 -0.17 0.00 0.30 0.00 0.00 27.48 27.82 1yar h GLN 89 CO 0.00 0.31 0.20 1.33 -0.67 0.00 0.00 178.83 180.01 1yar n VAL 90 N -4.48 2.79 0.29 -0.54 0.24 -1.05 -4.82 118.33 110.77 1yar n VAL 90 Ca 0.10 -2.34 0.16 0.00 -2.04 0.00 0.00 64.34 60.22 1yar n VAL 90 Cb 0.34 -0.37 0.95 0.00 -1.47 0.00 0.00 33.84 33.29 1yar n VAL 90 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1yar h LYS 91 N 1.17 0.00 0.00 7.34 2.10 -0.98 0.15 116.57 126.35 1yar h LYS 91 Ca 0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.01 1yar h LYS 91 Cb 2.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.45 1yar h LYS 91 CO 0.65 0.00 -0.31 0.66 -2.00 0.00 0.00 179.45 178.45 1yar n TYR 92 N -3.74 0.04 -3.16 0.07 4.02 -1.26 -4.06 117.16 109.07 1yar n TYR 92 Ca -0.03 0.01 -0.20 0.00 -0.01 0.00 0.00 57.90 57.67 1yar n TYR 92 Cb 0.11 -0.38 -0.04 0.00 -0.02 0.00 0.00 39.34 39.01 1yar n TYR 92 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1yar n MET 93 N -1.54 1.28 -1.82 -0.72 2.81 0.46 -5.14 117.12 112.46 1yar n MET 93 Ca 0.06 -3.60 -0.30 0.00 -1.81 0.00 0.00 57.70 52.05 1yar n MET 93 Cb 0.34 -1.72 0.05 0.00 -0.71 0.00 0.00 33.22 31.19 1yar n MET 93 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1yar s PRO 94 N -2.37 2.74 -0.17 0.03 0.04 -0.86 -4.88 135.00 129.52 1yar s PRO 94 Ca 0.40 0.51 -0.29 0.00 0.04 0.00 0.00 61.00 61.66 1yar s PRO 94 Cb 0.30 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.84 1yar s PRO 94 CO -0.09 -1.13 1.02 0.71 0.04 0.00 0.00 177.00 177.55 1yar s TYR 95 N -3.31 3.42 -1.35 0.56 1.51 -1.26 -4.97 117.35 111.94 1yar s TYR 95 Ca 0.59 1.52 -0.07 0.00 -1.01 0.00 0.00 57.07 58.10 1yar s TYR 95 Cb -0.12 -3.23 0.10 0.00 -0.11 0.00 0.00 41.96 38.61 1yar s TYR 95 CO 0.52 -0.36 2.36 -1.33 -1.11 0.00 0.00 175.55 175.64 1yar n MET 96 N 5.71 4.29 -4.24 -0.62 2.81 -1.26 -4.60 117.12 119.21 1yar n MET 96 Ca 0.10 -3.31 -0.14 0.00 -1.81 0.00 0.00 57.70 52.55 1yar n MET 96 Cb 0.47 -2.72 -0.10 0.00 -0.71 0.00 0.00 33.22 30.17 1yar n MET 96 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1yar s VAL 97 N -0.41 0.94 -0.07 2.03 -7.23 -1.26 -1.05 120.40 113.35 1yar s VAL 97 Ca 0.53 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.72 1yar s VAL 97 Cb 0.17 -1.94 0.01 0.00 0.56 0.00 0.00 36.38 35.17 1yar s VAL 97 CO -0.07 -0.66 -0.17 -1.10 -0.31 0.00 0.00 175.10 172.79 1yar s GLN 98 N -3.82 2.18 0.05 4.82 -0.21 -0.65 -2.84 119.66 119.19 1yar s GLN 98 Ca 0.19 -0.61 0.08 0.00 0.02 0.00 0.00 55.36 55.03 1yar s GLN 98 Cb 0.04 -1.74 -0.03 0.00 1.00 0.00 0.00 33.01 32.28 1yar s GLN 98 CO 0.01 0.12 -0.22 -0.51 -2.12 0.00 0.00 175.29 172.58 1yar s LEU 99 N 0.43 2.18 -0.10 2.90 1.43 0.03 -1.80 118.68 123.76 1yar s LEU 99 Ca -0.14 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.41 1yar s LEU 99 Cb -0.16 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 1yar s LEU 99 CO 0.05 0.17 -0.13 -0.76 0.23 0.00 0.00 176.35 175.91 1yar s LEU 100 N -1.29 2.75 -0.13 1.79 1.43 -1.07 -0.18 118.68 121.98 1yar s LEU 100 Ca 0.08 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1yar s LEU 100 Cb -0.09 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.54 1yar s LEU 100 CO 0.02 0.23 -0.21 -0.69 0.23 0.00 0.00 176.35 175.94 1yar s VAL 101 N -0.05 2.22 0.05 -1.59 1.01 -0.25 -1.21 120.40 120.58 1yar s VAL 101 Ca -0.03 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.05 1yar s VAL 101 Cb -0.14 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1yar s VAL 101 CO 0.04 0.54 -0.09 -0.83 0.00 0.00 0.00 175.10 174.76 1yar s GLY 102 N 0.70 0.57 0.00 4.51 0.00 -0.50 -0.49 107.32 112.10 1yar s GLY 102 Ca -0.09 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.82 1yar s GLY 102 CO 0.01 -0.85 0.00 0.61 0.00 0.00 0.00 173.10 172.87 1yar n GLY 103 N 1.43 -1.37 3.11 0.20 0.00 -0.58 0.02 105.19 108.01 1yar n GLY 103 Ca -0.23 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 1yar n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yar s ILE 104 N -2.42 1.73 0.00 -0.61 1.01 -0.70 -1.17 121.20 119.03 1yar s ILE 104 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1yar s ILE 104 Cb 0.00 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.92 1yar s ILE 104 CO 0.00 0.49 0.00 -0.90 0.00 0.00 0.00 174.94 174.53 1yar n ASP 105 N 4.10 0.00 -0.24 3.58 5.68 -1.26 -4.80 116.55 123.61 1yar n ASP 105 Ca -0.19 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.23 1yar n ASP 105 Cb 0.51 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.94 1yar n ASP 105 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1yar n THR 106 N 0.00 0.00 -3.45 2.12 -2.24 -1.26 -4.94 114.28 104.51 1yar n THR 106 Ca 0.00 -0.12 -0.11 0.00 -2.27 0.00 0.00 64.05 61.55 1yar n THR 106 Cb 0.00 0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 1yar n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yar s ALA 107 N -2.44 -1.64 0.40 6.98 0.00 -1.26 -5.16 121.76 118.64 1yar s ALA 107 Ca 0.27 0.58 -0.24 0.00 0.00 0.00 0.00 51.96 52.57 1yar s ALA 107 Cb 0.20 0.78 -0.09 0.00 0.00 0.00 0.00 23.12 24.01 1yar s ALA 107 CO 0.49 -0.76 1.10 -2.14 0.00 0.00 0.00 175.76 174.44 1yar s PRO 108 N -3.61 4.10 -0.08 0.00 0.02 -1.26 -4.38 135.00 129.79 1yar s PRO 108 Ca 0.02 1.64 -0.08 0.00 0.02 0.00 0.00 61.00 62.60 1yar s PRO 108 Cb -0.01 -2.58 0.02 0.00 0.02 0.00 0.00 34.50 31.94 1yar s PRO 108 CO -0.11 -0.23 0.22 -1.01 -0.33 0.00 0.00 177.00 175.54 1yar s HIS 109 N -1.56 -0.23 -0.08 6.54 3.76 -0.32 -5.00 115.29 118.41 1yar s HIS 109 Ca 0.58 0.55 0.02 0.00 -0.15 0.00 0.00 55.06 56.07 1yar s HIS 109 Cb -0.25 0.08 0.01 0.00 1.11 0.00 0.00 32.58 33.52 1yar s HIS 109 CO 0.32 -0.13 -0.15 0.08 -0.85 0.00 0.00 174.74 174.01 1yar s VAL 110 N 0.02 1.36 -0.03 -0.90 1.01 -1.25 -1.52 120.40 119.08 1yar s VAL 110 Ca -0.01 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.44 1yar s VAL 110 Cb -0.02 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 1yar s VAL 110 CO 0.00 0.41 -0.23 -0.36 0.00 0.00 0.00 175.10 174.92 1yar s PHE 111 N 0.68 2.18 -0.15 5.22 0.40 0.35 -1.12 117.98 125.55 1yar s PHE 111 Ca -0.14 -0.52 -0.07 0.00 -0.60 0.00 0.00 56.93 55.61 1yar s PHE 111 Cb -0.16 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 41.91 1yar s PHE 111 CO 0.04 -0.11 0.10 -1.12 0.70 0.00 0.00 175.22 174.83 1yar s SER 112 N -0.36 6.00 -0.08 1.36 0.01 -0.50 -1.09 113.70 119.04 1yar s SER 112 Ca 0.04 0.28 0.02 0.00 1.31 0.00 0.00 55.95 57.59 1yar s SER 112 Cb -0.11 -1.96 0.02 0.00 0.21 0.00 0.00 66.02 64.18 1yar s SER 112 CO 0.01 0.30 -0.11 -0.63 0.41 0.00 0.00 173.24 173.22 1yar s ILE 113 N -0.40 1.10 0.61 1.44 1.09 0.75 -1.80 121.20 123.99 1yar s ILE 113 Ca 0.11 -0.43 0.05 0.00 -1.10 0.00 0.00 60.65 59.28 1yar s ILE 113 Cb -0.12 -1.03 0.09 0.00 -1.06 0.00 0.00 42.46 40.34 1yar s ILE 113 CO 0.02 0.36 0.85 1.51 -0.10 0.00 0.00 174.94 177.57 1yar s ASP 114 N 0.93 4.87 0.17 3.58 1.47 -0.31 -0.79 116.67 126.59 1yar s ASP 114 Ca -0.10 -0.57 0.20 0.00 1.18 0.00 0.00 52.55 53.26 1yar s ASP 114 Cb -0.15 0.01 0.84 0.00 -0.34 0.00 0.00 42.92 43.29 1yar s ASP 114 CO 0.01 -1.48 1.60 0.00 0.68 0.00 0.00 175.17 175.98 1yar n ALA 115 N -2.44 1.60 -0.21 2.11 0.00 -1.13 -1.14 120.51 119.30 1yar n ALA 115 Ca 0.14 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.75 1yar n ALA 115 Cb 0.61 -1.32 0.31 0.00 0.00 0.00 0.00 19.45 19.04 1yar n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yar n ALA 116 N -1.68 2.39 -1.03 0.00 0.00 -1.26 -4.57 120.51 114.36 1yar n ALA 116 Ca 0.02 -1.23 -0.01 0.00 0.00 0.00 0.00 53.44 52.23 1yar n ALA 116 Cb 0.19 -0.93 -0.00 0.00 0.00 0.00 0.00 19.45 18.70 1yar n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yar n GLY 117 N 1.63 0.50 3.70 0.00 0.00 -0.29 -3.59 105.19 107.14 1yar n GLY 117 Ca 0.24 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1yar n GLY 117 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yar s GLY 118 N -2.48 1.95 -0.07 -0.02 0.00 -1.26 -4.49 107.32 100.95 1yar s GLY 118 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 44.72 45.73 1yar s GLY 118 CO 0.00 2.41 -0.06 -0.45 0.00 0.00 0.00 173.10 175.00 1yar s SER 119 N 1.47 1.52 -0.04 1.64 0.15 -1.26 -1.16 113.70 116.02 1yar s SER 119 Ca 0.64 -0.19 0.01 0.00 0.70 0.00 0.00 55.95 57.11 1yar s SER 119 Cb -0.34 -0.61 0.02 0.00 -1.71 0.00 0.00 66.02 63.38 1yar s SER 119 CO 0.29 -0.08 -0.04 -0.69 1.20 0.00 0.00 173.24 173.92 1yar s VAL 120 N 1.25 0.49 0.24 4.45 1.01 -0.75 -4.98 120.40 122.10 1yar s VAL 120 Ca -0.05 -0.11 -0.26 0.00 0.00 0.00 0.00 61.98 61.56 1yar s VAL 120 Cb -0.14 -0.51 -0.09 0.00 0.00 0.00 0.00 36.38 35.64 1yar s VAL 120 CO -0.02 0.21 0.86 -0.70 0.00 0.00 0.00 175.10 175.45 1yar s GLU 121 N 0.83 4.63 0.15 2.72 2.12 -1.26 -1.41 118.70 126.47 1yar s GLU 121 Ca -0.11 1.27 -0.06 0.00 0.36 0.00 0.00 54.97 56.43 1yar s GLU 121 Cb -0.14 -3.11 -0.02 0.00 0.26 0.00 0.00 34.13 31.13 1yar s GLU 121 CO 0.00 0.46 0.20 0.34 -0.54 0.00 0.00 175.26 175.72 1yar s ASP 122 N -1.34 0.14 0.29 -1.70 -1.08 -0.27 -4.97 116.67 107.73 1yar s ASP 122 Ca 0.42 -0.99 0.11 0.00 -0.52 0.00 0.00 52.55 51.57 1yar s ASP 122 Cb -0.22 0.39 0.41 0.00 -1.46 0.00 0.00 42.92 42.03 1yar s ASP 122 CO 0.27 -0.83 1.64 0.16 0.52 0.00 0.00 175.17 176.93 1yar h ILE 123 N 2.66 1.41 -3.32 4.11 3.07 -1.95 -3.34 117.51 120.15 1yar h ILE 123 Ca -0.33 -2.00 -0.05 0.00 1.55 0.00 0.00 64.86 64.03 1yar h ILE 123 Cb 1.22 2.08 -0.13 0.00 -0.27 0.00 0.00 36.82 39.72 1yar h ILE 123 CO 0.52 0.57 -0.04 -0.72 -1.05 0.00 0.00 178.15 177.43 1yar s TYR 124 N -3.69 -0.25 0.19 0.16 -0.85 -1.26 -0.74 117.35 110.92 1yar s TYR 124 Ca -0.01 -0.04 -0.20 0.00 -0.52 0.00 0.00 57.07 56.30 1yar s TYR 124 Cb 0.13 0.29 0.04 0.00 0.38 0.00 0.00 41.96 42.80 1yar s TYR 124 CO 0.76 -0.71 0.57 0.00 -1.52 0.00 0.00 175.55 174.65 1yar s ALA 125 N -3.71 -1.21 -0.07 9.51 0.00 -0.36 -5.01 121.76 120.91 1yar s ALA 125 Ca 0.02 0.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.86 1yar s ALA 125 Cb 0.01 0.85 0.03 0.00 0.00 0.00 0.00 23.12 24.02 1yar s ALA 125 CO -0.11 -0.82 0.33 0.45 0.00 0.00 0.00 175.76 175.60 1yar s SER 126 N -2.83 -0.27 0.23 0.00 0.15 -1.26 -1.18 113.70 108.52 1yar s SER 126 Ca 0.06 0.39 0.03 0.00 0.70 0.00 0.00 55.95 57.13 1yar s SER 126 Cb -0.02 0.51 -0.05 0.00 -1.71 0.00 0.00 66.02 64.75 1yar s SER 126 CO -0.05 -0.29 0.02 0.42 1.20 0.00 0.00 173.24 174.54 1yar s THR 127 N -0.59 0.89 0.00 6.45 -4.23 -0.76 -4.89 115.64 112.50 1yar s THR 127 Ca -0.07 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 1yar s THR 127 Cb -0.04 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.43 1yar s THR 127 CO 0.02 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 1yar n GLY 128 N -0.40 0.40 0.27 3.99 0.00 -1.26 -1.86 105.19 106.33 1yar n GLY 128 Ca -0.04 -1.92 0.12 0.00 0.00 0.00 0.00 46.02 44.18 1yar n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1yar h SER 129 N 0.00 0.00 0.49 1.61 4.64 -1.57 -1.80 113.55 116.91 1yar h SER 129 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yar h SER 129 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1yar h SER 129 CO 0.00 0.07 -0.17 0.61 -0.87 0.00 0.00 176.83 176.46 1yar n GLY 130 N -1.06 -1.07 0.37 -0.77 0.00 -0.14 -4.46 105.19 98.06 1yar n GLY 130 Ca -0.02 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.78 1yar n GLY 130 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1yar h SER 131 N 0.42 0.99 -0.86 1.61 4.64 -1.47 -2.31 113.55 116.56 1yar h SER 131 Ca 0.00 0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.40 1yar h SER 131 Cb 0.42 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 62.27 1yar h SER 131 CO 0.00 0.59 0.56 -0.65 -0.87 0.00 0.00 176.83 176.47 1yar h PRO 132 N 1.10 0.98 -0.45 4.77 0.11 -1.81 0.19 132.00 136.89 1yar h PRO 132 Ca 0.46 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.43 1yar h PRO 132 Cb 0.30 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 1yar h PRO 132 CO -0.21 0.65 -0.02 0.74 -0.21 0.00 0.00 178.00 178.95 1yar h PHE 133 N 1.01 0.88 -0.35 0.65 0.04 -1.75 -1.89 116.94 115.55 1yar h PHE 133 Ca 0.36 -0.16 0.02 0.00 2.80 0.00 0.00 57.97 60.99 1yar h PHE 133 Cb 0.13 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.02 1yar h PHE 133 CO -0.00 0.87 0.18 0.28 -0.60 0.00 0.00 178.31 179.04 1yar h VAL 134 N 0.65 1.00 -0.40 -0.55 2.07 -1.12 -2.68 116.25 115.21 1yar h VAL 134 Ca 0.12 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1yar h VAL 134 Cb 0.53 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1yar h VAL 134 CO 0.03 0.07 0.26 1.88 0.02 0.00 0.00 177.57 179.82 1yar h TYR 135 N 0.37 0.51 -0.12 1.57 0.05 -0.36 -0.17 116.97 118.81 1yar h TYR 135 Ca 0.14 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.93 1yar h TYR 135 Cb 0.04 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.60 1yar h TYR 135 CO -0.09 0.33 0.06 0.78 -1.05 0.00 0.00 178.16 178.19 1yar h GLY 136 N 0.56 0.17 0.97 3.88 0.00 -1.06 -0.07 103.07 107.53 1yar h GLY 136 Ca 0.15 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.41 1yar h GLY 136 CO -0.03 0.07 0.22 -2.08 0.00 0.00 0.00 176.54 174.73 1yar h VAL 137 N 0.10 1.07 -0.39 4.60 2.07 -1.05 -2.44 116.25 120.21 1yar h VAL 137 Ca 0.04 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 1yar h VAL 137 Cb 0.07 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1yar h VAL 137 CO -0.01 0.08 0.02 -0.07 0.02 0.00 0.00 177.57 177.61 1yar h LEU 138 N 0.45 0.66 -0.87 2.57 3.38 -1.00 0.16 115.31 120.67 1yar h LEU 138 Ca 0.13 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 57.88 1yar h LEU 138 Cb -0.03 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.47 1yar h LEU 138 CO -0.04 0.79 0.53 -0.33 0.09 0.00 0.00 178.44 179.48 1yar h GLU 139 N 0.51 0.91 0.11 1.13 4.39 -0.92 0.47 114.58 121.17 1yar h GLU 139 Ca 0.11 -0.05 -0.27 0.00 0.34 0.00 0.00 59.36 59.49 1yar h GLU 139 Cb 0.45 -0.20 0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1yar h GLU 139 CO 0.02 0.60 -1.20 1.03 -1.16 0.00 0.00 179.01 178.30 1yar h SER 140 N 0.93 0.51 0.00 1.42 0.87 -1.11 -3.41 113.55 112.76 1yar h SER 140 Ca 0.39 -0.51 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1yar h SER 140 Cb 0.25 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1yar h SER 140 CO -0.20 1.37 -1.04 0.00 -0.53 0.00 0.00 176.83 176.43 1yar n GLN 141 N -3.61 0.69 -2.07 2.24 6.02 0.55 -5.03 117.38 116.17 1yar n GLN 141 Ca -0.09 -0.03 -0.41 0.00 -0.01 0.00 0.00 57.00 56.46 1yar n GLN 141 Cb 0.99 -1.03 -0.02 0.00 1.02 0.00 0.00 30.24 31.20 1yar n GLN 141 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1yar s TYR 142 N -2.12 3.02 -0.03 1.08 5.04 0.14 -5.02 117.35 119.45 1yar s TYR 142 Ca -0.01 1.26 0.02 0.00 -2.44 0.00 0.00 57.07 55.90 1yar s TYR 142 Cb 0.02 -3.74 0.01 0.00 0.35 0.00 0.00 41.96 38.60 1yar s TYR 142 CO 0.13 -2.19 -0.07 0.45 -1.34 0.00 0.00 175.55 172.53 1yar s SER 143 N -0.13 1.05 0.65 4.32 0.15 -1.26 -4.99 113.70 113.50 1yar s SER 143 Ca 0.53 -0.16 0.36 0.00 0.70 0.00 0.00 55.95 57.39 1yar s SER 143 Cb -0.41 -0.40 2.00 0.00 -1.71 0.00 0.00 66.02 65.51 1yar s SER 143 CO 0.49 0.01 2.17 -0.33 1.20 0.00 0.00 173.24 176.78 1yar h GLU 144 N 6.76 0.00 -0.03 5.44 5.08 -1.96 -2.05 114.58 127.83 1yar h GLU 144 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1yar h GLU 144 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1yar h GLU 144 CO 0.48 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.12 1yar n LYS 145 N -3.19 1.75 -1.83 2.33 5.02 -1.26 -4.24 118.16 116.73 1yar n LYS 145 Ca -0.02 -1.09 -0.37 0.00 -2.02 0.00 0.00 58.31 54.81 1yar n LYS 145 Cb 0.22 -1.47 0.05 0.00 -0.02 0.00 0.00 35.03 33.81 1yar n LYS 145 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1yar s MET 146 N -1.98 2.93 0.68 1.97 -1.94 -0.77 -5.02 119.30 115.16 1yar s MET 146 Ca 0.37 2.08 -0.10 0.00 -1.71 0.00 0.00 55.69 56.32 1yar s MET 146 Cb 0.21 -2.06 0.01 0.00 2.01 0.00 0.00 34.83 35.00 1yar s MET 146 CO 0.33 -1.31 1.06 0.95 -0.01 0.00 0.00 175.02 176.03 1yar s THR 147 N -1.40 3.52 0.21 2.05 -4.23 -1.26 -4.66 115.64 109.87 1yar s THR 147 Ca 0.76 0.38 -0.09 0.00 -1.18 0.00 0.00 61.69 61.56 1yar s THR 147 Cb -0.37 -3.47 0.15 0.00 1.34 0.00 0.00 72.50 70.14 1yar s THR 147 CO 0.42 -0.60 1.76 0.58 -0.54 0.00 0.00 174.62 176.23 1yar h VAL 148 N -0.55 0.80 -0.90 2.29 2.07 -1.98 0.10 116.25 118.08 1yar h VAL 148 Ca -0.45 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1yar h VAL 148 Cb 1.25 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1yar h VAL 148 CO 0.63 0.08 0.58 0.44 0.02 0.00 0.00 177.57 179.33 1yar h ASP 149 N 0.46 1.05 -0.45 0.57 3.32 -2.00 0.31 116.42 119.68 1yar h ASP 149 Ca 0.31 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.26 1yar h ASP 149 Cb 0.36 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1yar h ASP 149 CO -0.29 0.77 0.04 -0.33 -1.72 0.00 0.00 179.24 177.72 1yar h GLU 150 N 1.23 0.76 -1.01 3.56 5.08 -1.66 -2.36 114.58 120.18 1yar h GLU 150 Ca 0.33 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1yar h GLU 150 Cb -0.12 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.00 1yar h GLU 150 CO -0.07 0.80 0.67 0.78 -1.00 0.00 0.00 179.01 180.19 1yar h GLY 151 N 0.61 1.42 0.91 -3.84 0.00 -0.39 -0.97 103.07 100.82 1yar h GLY 151 Ca 0.13 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1yar h GLY 151 CO 0.01 0.50 0.06 -2.08 0.00 0.00 0.00 176.54 175.03 1yar h VAL 152 N 1.34 1.24 -0.67 4.60 2.07 -0.86 -1.65 116.25 122.32 1yar h VAL 152 Ca 0.37 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 67.10 1yar h VAL 152 Cb -0.13 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1yar h VAL 152 CO -0.09 0.28 0.40 0.44 0.02 0.00 0.00 177.57 178.62 1yar h ASP 153 N 0.41 0.64 0.15 0.57 3.32 -1.28 -1.88 116.42 118.35 1yar h ASP 153 Ca 0.11 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1yar h ASP 153 Cb 0.35 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1yar h ASP 153 CO 0.01 0.43 -0.09 0.25 -1.72 0.00 0.00 179.24 178.12 1yar h LEU 154 N 0.77 -0.23 -1.34 1.55 5.85 -0.96 0.29 115.31 121.24 1yar h LEU 154 Ca 0.28 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 1yar h LEU 154 Cb 0.09 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1yar h LEU 154 CO -0.14 -0.15 0.27 -0.37 -0.34 0.00 0.00 178.44 177.71 1yar h VAL 155 N -0.24 1.17 -0.30 1.05 -1.51 -1.20 0.90 116.25 116.12 1yar h VAL 155 Ca -0.01 -0.44 -0.04 0.00 -1.23 0.00 0.00 66.70 64.97 1yar h VAL 155 Cb 0.20 0.48 -0.01 0.00 -2.13 0.00 0.00 31.29 29.83 1yar h VAL 155 CO 0.02 0.19 0.01 0.40 -1.23 0.00 0.00 177.57 176.95 1yar h ILE 156 N 0.73 1.25 -0.57 7.19 2.04 -1.11 -0.77 117.51 126.27 1yar h ILE 156 Ca 0.18 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1yar h ILE 156 Cb 0.04 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1yar h ILE 156 CO -0.03 0.29 0.37 0.03 0.00 0.00 0.00 178.15 178.81 1yar h ARG 157 N 0.31 0.76 -0.16 2.37 3.08 -0.31 -0.21 114.38 120.22 1yar h ARG 157 Ca 0.08 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1yar h ARG 157 Cb 0.42 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1yar h ARG 157 CO 0.01 0.52 0.07 0.00 -1.07 0.00 0.00 179.97 179.51 1yar h ALA 158 N 1.20 0.21 -0.13 0.04 0.00 -0.73 -0.66 119.26 119.19 1yar h ALA 158 Ca 0.21 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1yar h ALA 158 Cb -0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1yar h ALA 158 CO -0.04 -0.23 -0.57 0.82 0.00 0.00 0.00 179.25 179.23 1yar h ILE 159 N 0.13 1.35 -0.78 0.00 2.04 -1.09 -1.88 117.51 117.27 1yar h ILE 159 Ca 0.05 -1.86 -0.00 0.00 1.00 0.00 0.00 64.86 64.05 1yar h ILE 159 Cb 0.13 1.87 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 1yar h ILE 159 CO -0.01 0.56 0.48 0.28 0.00 0.00 0.00 178.15 179.47 1yar h SER 160 N 0.30 0.92 -0.57 1.72 0.02 -0.90 -0.34 113.55 114.71 1yar h SER 160 Ca 0.00 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1yar h SER 160 Cb 1.09 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.37 1yar h SER 160 CO 0.10 0.70 0.23 0.00 -1.14 0.00 0.00 176.83 176.72 1yar h ALA 161 N 1.26 0.74 -0.44 3.77 0.00 -0.87 -2.43 119.26 121.28 1yar h ALA 161 Ca 0.28 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1yar h ALA 161 Cb -0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1yar h ALA 161 CO -0.05 0.35 0.27 0.00 0.00 0.00 0.00 179.25 179.81 1yar h ALA 162 N 1.08 0.56 -0.02 0.00 0.00 -1.01 -2.17 119.26 117.71 1yar h ALA 162 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1yar h ALA 162 Cb 0.19 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1yar h ALA 162 CO -0.02 -0.05 -0.04 0.87 0.00 0.00 0.00 179.25 180.01 1yar h LYS 163 N 0.54 0.03 0.00 0.00 1.57 -0.90 0.20 116.57 118.00 1yar h LYS 163 Ca 0.18 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1yar h LYS 163 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1yar h LYS 163 CO -0.08 0.08 -0.19 1.96 -0.57 0.00 0.00 179.45 180.65 1yar h GLN 164 N 0.03 0.00 0.00 3.15 1.08 -0.89 -3.35 115.11 115.12 1yar h GLN 164 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1yar h GLN 164 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1yar h GLN 164 CO 0.01 0.19 0.00 0.54 -0.95 0.00 0.00 178.83 178.61 1yar n ARG 165 N -3.37 6.16 -4.03 1.46 5.12 -0.71 -4.95 116.66 116.35 1yar n ARG 165 Ca 0.00 -0.02 -0.33 0.00 -1.93 0.00 0.00 57.85 55.57 1yar n ARG 165 Cb 0.40 -0.49 -0.15 0.00 -1.16 0.00 0.00 32.46 31.06 1yar n ARG 165 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1yar s ASP 166 N -0.89 4.57 0.23 0.55 2.15 0.62 -4.98 116.67 118.92 1yar s ASP 166 Ca 0.00 -1.40 0.23 0.00 0.43 0.00 0.00 52.55 51.81 1yar s ASP 166 Cb 0.00 -1.59 0.94 0.00 -0.30 0.00 0.00 42.92 41.97 1yar s ASP 166 CO 0.00 -0.21 1.69 -1.54 -0.17 0.00 0.00 175.17 174.93 1yar n SER 167 N 4.47 0.60 -0.34 -0.34 3.41 -1.26 -1.53 113.62 118.63 1yar n SER 167 Ca -0.13 0.65 0.08 0.00 -0.26 0.00 0.00 58.87 59.21 1yar n SER 167 Cb 0.42 -0.77 0.35 0.00 -0.26 0.00 0.00 64.21 63.95 1yar n SER 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yar n ALA 168 N -1.74 2.53 -2.38 7.33 0.00 -1.26 -4.82 120.51 120.16 1yar n ALA 168 Ca 0.02 -0.35 -0.29 0.00 0.00 0.00 0.00 53.44 52.82 1yar n ALA 168 Cb 0.23 -1.12 -0.14 0.00 0.00 0.00 0.00 19.45 18.42 1yar n ALA 168 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1yar s SER 169 N -1.41 3.19 0.00 0.00 0.01 -0.58 -1.07 113.70 113.84 1yar s SER 169 Ca 0.26 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1yar s SER 169 Cb 0.13 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.12 1yar s SER 169 CO 0.20 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.66 1yar n GLY 170 N 1.27 -0.28 3.77 3.44 0.00 -1.26 -4.79 105.19 107.33 1yar n GLY 170 Ca -0.18 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1yar n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yar n GLY 171 N -0.47 -2.24 3.77 -0.02 0.00 -1.26 -1.41 105.19 103.56 1yar n GLY 171 Ca 0.00 -1.60 -0.38 0.00 0.00 0.00 0.00 46.02 44.04 1yar n GLY 171 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1yar s MET 172 N -0.31 3.88 -0.05 1.61 -2.45 -1.26 -4.65 119.30 116.07 1yar s MET 172 Ca 0.00 1.89 -0.24 0.00 -1.25 0.00 0.00 55.69 56.09 1yar s MET 172 Cb 0.00 -2.57 -0.04 0.00 1.25 0.00 0.00 34.83 33.47 1yar s MET 172 CO 0.00 -0.48 0.71 0.42 1.05 0.00 0.00 175.02 176.72 1yar s ILE 173 N -1.43 5.00 -0.19 10.11 1.01 -1.26 -3.89 121.20 130.55 1yar s ILE 173 Ca 0.60 1.48 -0.06 0.00 0.00 0.00 0.00 60.65 62.68 1yar s ILE 173 Cb -0.32 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.07 1yar s ILE 173 CO 0.39 0.27 0.02 -0.62 0.00 0.00 0.00 174.94 175.00 1yar s ASP 174 N 0.68 5.12 -0.03 3.58 -1.08 0.13 -4.98 116.67 120.10 1yar s ASP 174 Ca 0.38 -0.09 0.03 0.00 -0.52 0.00 0.00 52.55 52.36 1yar s ASP 174 Cb -0.18 -1.87 -0.00 0.00 -1.46 0.00 0.00 42.92 39.41 1yar s ASP 174 CO 0.19 0.12 -0.13 -0.69 0.52 0.00 0.00 175.17 175.19 1yar s VAL 175 N 0.66 1.05 -0.02 1.11 1.01 -1.26 -1.35 120.40 121.60 1yar s VAL 175 Ca 0.01 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.52 1yar s VAL 175 Cb -0.14 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 1yar s VAL 175 CO 0.02 0.31 -0.19 0.00 0.00 0.00 0.00 175.10 175.24 1yar s ALA 176 N 0.00 1.60 -0.11 5.51 0.00 0.01 -0.69 121.76 128.09 1yar s ALA 176 Ca -0.01 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.15 1yar s ALA 176 Cb -0.08 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1yar s ALA 176 CO 0.01 0.37 -0.15 0.08 0.00 0.00 0.00 175.76 176.07 1yar s VAL 177 N -0.37 2.87 -0.18 0.00 1.01 0.20 -1.69 120.40 122.24 1yar s VAL 177 Ca 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1yar s VAL 177 Cb -0.08 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.14 1yar s VAL 177 CO -0.00 0.54 -0.18 -0.63 0.00 0.00 0.00 175.10 174.84 1yar s ILE 178 N 0.11 2.30 0.08 2.22 1.01 0.34 -0.53 121.20 126.72 1yar s ILE 178 Ca -0.07 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.73 1yar s ILE 178 Cb -0.15 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 1yar s ILE 178 CO 0.05 0.52 -0.06 0.42 0.00 0.00 0.00 174.94 175.87 1yar s THR 179 N 1.22 0.58 0.19 2.92 -4.23 -0.56 -2.03 115.64 113.73 1yar s THR 179 Ca 0.03 -1.74 -0.12 0.00 -1.18 0.00 0.00 61.69 58.67 1yar s THR 179 Cb -0.14 -1.44 0.11 0.00 1.34 0.00 0.00 72.50 72.37 1yar s THR 179 CO -0.09 -0.80 1.85 -0.09 -0.54 0.00 0.00 174.62 174.95 1yar h ARG 180 N 3.30 0.81 -0.15 3.99 9.65 -1.86 0.20 114.38 130.31 1yar h ARG 180 Ca -0.35 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.46 1yar h ARG 180 Cb 1.17 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.56 1yar h ARG 180 CO 0.60 0.53 0.03 -0.22 2.80 0.00 0.00 179.97 183.71 1yar h LYS 181 N 0.83 0.25 -0.01 0.20 3.64 -1.96 -3.33 116.57 116.19 1yar h LYS 181 Ca 0.23 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1yar h LYS 181 Cb -0.07 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1yar h LYS 181 CO -0.06 0.42 -0.42 -0.25 -2.27 0.00 0.00 179.45 176.87 1yar n ASP 182 N -4.81 1.26 0.00 4.20 8.00 -1.22 -5.10 116.55 118.88 1yar n ASP 182 Ca -0.05 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.32 1yar n ASP 182 Cb 0.17 0.64 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 1yar n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yar n GLY 183 N 1.17 -0.12 3.61 0.44 0.00 0.71 -4.66 105.19 106.33 1yar n GLY 183 Ca 0.05 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 1yar n GLY 183 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1yar s TYR 184 N 0.00 3.22 -0.23 1.61 6.14 -1.20 -1.49 117.35 125.40 1yar s TYR 184 Ca 0.00 0.81 0.01 0.00 0.64 0.00 0.00 57.07 58.53 1yar s TYR 184 Cb 0.00 -3.15 0.05 0.00 0.42 0.00 0.00 41.96 39.28 1yar s TYR 184 CO 0.00 -0.53 -0.08 0.08 0.64 0.00 0.00 175.55 175.67 1yar s VAL 185 N 2.88 1.65 -0.15 3.14 1.01 0.32 -4.99 120.40 124.26 1yar s VAL 185 Ca 0.31 -1.21 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 1yar s VAL 185 Cb -0.14 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 1yar s VAL 185 CO 0.12 -0.00 1.13 -1.58 0.00 0.00 0.00 175.10 174.77 1yar s GLN 186 N 1.35 4.31 0.32 2.72 0.74 -1.26 -0.63 119.66 127.21 1yar s GLN 186 Ca -0.05 1.52 -0.29 0.00 0.05 0.00 0.00 55.36 56.60 1yar s GLN 186 Cb -0.18 -3.64 -0.10 0.00 1.10 0.00 0.00 33.01 30.19 1yar s GLN 186 CO -0.07 -0.54 1.28 -0.51 -0.55 0.00 0.00 175.29 174.90 1yar s LEU 187 N 2.81 4.45 0.44 3.68 1.43 0.14 -4.97 118.68 126.65 1yar s LEU 187 Ca 0.51 2.63 -0.25 0.00 -1.03 0.00 0.00 54.13 55.98 1yar s LEU 187 Cb -0.20 -3.65 -0.08 0.00 0.03 0.00 0.00 46.19 42.30 1yar s LEU 187 CO 0.14 -0.48 1.35 -2.84 0.23 0.00 0.00 176.35 174.76 1yar s PRO 188 N -1.74 3.75 0.25 1.29 0.02 -1.26 -4.72 135.00 132.59 1yar s PRO 188 Ca 0.48 2.24 -0.04 0.00 0.02 0.00 0.00 61.00 63.71 1yar s PRO 188 Cb -0.39 -2.64 0.45 0.00 0.02 0.00 0.00 34.50 31.94 1yar s PRO 188 CO 0.51 -0.70 1.77 1.15 -0.33 0.00 0.00 177.00 179.40 1yar h THR 189 N 2.26 0.78 0.00 0.99 2.02 -1.94 -1.71 112.91 115.30 1yar h THR 189 Ca -0.50 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 1yar h THR 189 Cb 1.26 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1yar h THR 189 CO 0.61 0.11 -0.11 -2.24 0.37 0.00 0.00 175.52 174.26 1yar h ASP 190 N 0.62 0.00 -0.40 4.18 3.04 -1.99 0.14 116.42 122.01 1yar h ASP 190 Ca 0.42 0.00 -0.15 0.00 -3.24 0.00 0.00 57.03 54.05 1yar h ASP 190 Cb 0.53 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.81 1yar h ASP 190 CO -0.32 0.11 -0.34 -0.61 -2.04 0.00 0.00 179.24 176.04 1yar h GLN 191 N 0.00 0.95 -0.14 4.15 4.15 -1.69 -2.12 115.11 120.41 1yar h GLN 191 Ca -0.00 -0.47 -0.03 0.00 0.77 0.00 0.00 58.65 58.92 1yar h GLN 191 Cb 0.20 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 1yar h GLN 191 CO 0.01 1.13 -0.03 0.82 -1.93 0.00 0.00 178.83 178.84 1yar h ILE 192 N 0.79 1.28 -0.98 2.39 1.08 -1.00 -2.08 117.51 118.99 1yar h ILE 192 Ca 0.07 -0.95 0.10 0.00 -0.39 0.00 0.00 64.86 63.70 1yar h ILE 192 Cb 0.93 1.63 -0.08 0.00 -3.07 0.00 0.00 36.82 36.23 1yar h ILE 192 CO 0.09 0.28 0.62 -0.33 -0.69 0.00 0.00 178.15 178.12 1yar h GLU 193 N -0.03 0.97 -0.37 2.37 5.08 -0.80 0.07 114.58 121.86 1yar h GLU 193 Ca 0.04 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1yar h GLU 193 Cb 0.44 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1yar h GLU 193 CO 0.01 0.64 -0.00 1.03 -1.00 0.00 0.00 179.01 179.69 1yar h SER 194 N 1.00 0.64 -0.82 1.42 0.87 -1.29 -1.87 113.55 113.50 1yar h SER 194 Ca 0.47 -0.31 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 1yar h SER 194 Cb 0.42 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 1yar h SER 194 CO -0.22 0.79 0.46 0.03 -0.53 0.00 0.00 176.83 177.36 1yar h ARG 195 N 0.47 1.15 -0.62 2.24 3.08 -0.79 -1.32 114.38 118.58 1yar h ARG 195 Ca 0.10 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1yar h ARG 195 Cb 0.47 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1yar h ARG 195 CO 0.02 0.84 0.36 0.82 -1.07 0.00 0.00 179.97 180.94 1yar h ILE 196 N 1.16 1.19 -0.01 2.04 2.04 -0.72 -0.45 117.51 122.76 1yar h ILE 196 Ca 0.29 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1yar h ILE 196 Cb 0.02 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1yar h ILE 196 CO -0.05 0.20 0.01 0.03 0.00 0.00 0.00 178.15 178.34 1yar h ARG 197 N 0.85 0.02 -0.19 2.37 3.08 -1.08 -0.68 114.38 118.75 1yar h ARG 197 Ca 0.22 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.22 1yar h ARG 197 Cb 0.01 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1yar h ARG 197 CO -0.04 0.17 -0.11 1.57 -1.07 0.00 0.00 179.97 180.49 1yar h LYS 198 N -0.13 0.30 0.00 0.04 2.10 -1.04 -1.63 116.57 116.21 1yar h LYS 198 Ca 0.00 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1yar h LYS 198 Cb 0.15 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 1yar h LYS 198 CO -0.00 0.43 0.00 1.28 -2.00 0.00 0.00 179.45 179.16 1yar n LEU 199 N -4.27 0.71 -1.40 7.07 4.77 -0.20 -4.94 117.00 118.75 1yar n LEU 199 Ca -0.00 0.59 -0.04 0.00 -0.03 0.00 0.00 56.01 56.53 1yar n LEU 199 Cb 0.27 -0.40 0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1yar n LEU 199 CO 0.38 -0.26 0.03 0.61 -1.33 0.00 0.00 177.39 176.82 1yar n GLY 200 N 0.97 0.38 3.43 -0.72 0.00 -0.61 -5.08 105.19 103.55 1yar n GLY 200 Ca 0.05 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 1yar n GLY 200 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yar n LEU 201 N -1.59 0.00 0.00 0.99 4.77 -0.33 -5.04 117.00 115.80 1yar n LEU 201 Ca -0.04 -2.56 0.00 0.00 -0.03 0.00 0.00 56.01 53.38 1yar n LEU 201 Cb 0.53 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1yar n LEU 201 CO 0.13 -0.56 0.00 -0.38 -1.33 0.00 0.00 177.39 175.25 1yar n ILE 202 N -1.68 0.00 -0.19 -0.08 5.41 -1.26 -4.78 119.36 116.78 1yar n ILE 202 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1yar n ILE 202 Cb 0.56 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.49 1yar n ILE 202 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44