#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 0.72 0.14 12.58 2.01 -1.26 -1.32 115.64 128.51 1yar s THR 2 Ca 0.00 -0.18 0.05 0.00 0.31 0.00 0.00 61.69 61.88 1yar s THR 2 Cb 0.00 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 1yar s THR 2 CO 0.00 0.28 -0.13 0.42 -0.69 0.00 0.00 174.62 174.51 1yar s THR 3 N 1.22 1.29 -0.03 -0.82 -4.23 -0.69 -2.10 115.64 110.27 1yar s THR 3 Ca -0.06 -1.87 -0.11 0.00 -1.18 0.00 0.00 61.69 58.48 1yar s THR 3 Cb -0.14 -1.66 0.02 0.00 1.34 0.00 0.00 72.50 72.05 1yar s THR 3 CO -0.02 -0.55 0.24 0.54 -0.54 0.00 0.00 174.62 174.29 1yar s VAL 4 N -2.61 0.05 -0.03 2.29 0.11 0.35 -1.33 120.40 119.22 1yar s VAL 4 Ca 0.12 -0.40 0.01 0.00 -2.93 0.00 0.00 61.98 58.79 1yar s VAL 4 Cb -0.02 -0.48 0.02 0.00 -1.53 0.00 0.00 36.38 34.37 1yar s VAL 4 CO 0.02 -0.22 -0.04 -0.83 -3.33 0.00 0.00 175.10 170.70 1yar s GLY 5 N -0.89 0.38 0.08 6.54 0.00 -0.46 -1.15 107.32 111.82 1yar s GLY 5 Ca -0.10 -0.08 0.07 0.00 0.00 0.00 0.00 44.72 44.62 1yar s GLY 5 CO 0.02 0.27 -0.19 -0.26 0.00 0.00 0.00 173.10 172.94 1yar s ILE 6 N 0.62 1.55 -0.03 0.90 -4.36 0.12 -1.14 121.20 118.86 1yar s ILE 6 Ca -0.08 -1.37 -0.03 0.00 -0.26 0.00 0.00 60.65 58.91 1yar s ILE 6 Cb -0.11 -1.40 -0.04 0.00 1.25 0.00 0.00 42.46 42.15 1yar s ILE 6 CO -0.00 -0.02 0.15 0.42 0.24 0.00 0.00 174.94 175.73 1yar s THR 7 N -1.06 5.30 0.44 8.37 -4.23 -0.18 -1.54 115.64 122.74 1yar s THR 7 Ca 0.05 -0.14 0.04 0.00 -1.18 0.00 0.00 61.69 60.45 1yar s THR 7 Cb -0.09 -3.43 -0.02 0.00 1.34 0.00 0.00 72.50 70.30 1yar s THR 7 CO 0.03 0.39 0.13 -0.76 -0.54 0.00 0.00 174.62 173.86 1yar s LEU 8 N -1.72 2.02 0.22 4.79 1.43 -0.21 -4.91 118.68 120.29 1yar s LEU 8 Ca 0.24 -1.73 -0.19 0.00 -1.03 0.00 0.00 54.13 51.43 1yar s LEU 8 Cb -0.12 -0.14 0.21 0.00 0.03 0.00 0.00 46.19 46.16 1yar s LEU 8 CO 0.15 -0.98 1.56 0.11 0.23 0.00 0.00 176.35 177.42 1yar h LYS 9 N 1.67 -0.04 -0.66 1.70 1.57 -1.84 -2.90 116.57 116.07 1yar h LYS 9 Ca -0.35 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.09 1yar h LYS 9 Cb 1.28 0.01 -0.41 0.00 0.08 0.00 0.00 32.23 33.20 1yar h LYS 9 CO 0.57 -0.03 -1.06 -0.25 -0.57 0.00 0.00 179.45 178.11 1yar n ASP 10 N -5.46 2.31 -3.43 0.86 10.43 -1.26 -4.69 116.55 115.31 1yar n ASP 10 Ca 0.08 -2.55 -0.13 0.00 2.57 0.00 0.00 54.79 54.77 1yar n ASP 10 Cb 0.39 -0.46 -0.03 0.00 1.84 0.00 0.00 41.12 42.86 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 -3.63 -1.62 -0.03 2.24 0.00 -1.10 -4.59 121.76 113.04 1yar s ALA 11 Ca 0.32 0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.92 1yar s ALA 11 Cb 0.37 0.78 -0.00 0.00 0.00 0.00 0.00 23.12 24.26 1yar s ALA 11 CO -0.02 -0.72 -0.13 0.08 0.00 0.00 0.00 175.76 174.97 1yar s VAL 12 N -3.42 1.07 -0.09 0.00 1.01 -0.71 -1.05 120.40 117.21 1yar s VAL 12 Ca -0.01 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1yar s VAL 12 Cb -0.01 -0.92 -0.00 0.00 0.00 0.00 0.00 36.38 35.45 1yar s VAL 12 CO -0.10 0.31 -0.24 -0.63 0.00 0.00 0.00 175.10 174.45 1yar s ILE 13 N 0.01 2.13 0.10 2.22 1.01 -0.59 0.01 121.20 126.09 1yar s ILE 13 Ca -0.01 -1.01 0.08 0.00 0.00 0.00 0.00 60.65 59.71 1yar s ILE 13 Cb -0.09 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 1yar s ILE 13 CO 0.01 0.56 -0.20 -0.04 0.00 0.00 0.00 174.94 175.26 1yar s MET 14 N 0.19 1.12 0.03 2.79 -1.94 -0.38 -0.71 119.30 120.41 1yar s MET 14 Ca -0.14 -1.13 -0.23 0.00 -1.71 0.00 0.00 55.69 52.48 1yar s MET 14 Cb -0.17 -1.36 0.05 0.00 2.01 0.00 0.00 34.83 35.37 1yar s MET 14 CO 0.07 0.32 0.54 0.00 -0.01 0.00 0.00 175.02 175.94 1yar s ALA 15 N -1.14 -1.38 0.26 3.03 0.00 -0.30 -0.47 121.76 121.76 1yar s ALA 15 Ca 0.06 0.71 -0.05 0.00 0.00 0.00 0.00 51.96 52.69 1yar s ALA 15 Cb -0.10 0.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 1yar s ALA 15 CO 0.04 -0.47 0.34 0.95 0.00 0.00 0.00 175.76 176.62 1yar s THR 16 N -2.15 0.00 0.00 0.00 -4.23 -0.55 -0.50 115.64 108.21 1yar s THR 16 Ca -0.07 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 1yar s THR 16 Cb -0.01 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1yar s THR 16 CO 0.01 0.00 0.00 -1.84 -0.54 0.00 0.00 174.62 172.25 1yar n GLU 17 N -0.41 3.27 0.00 3.99 -0.00 -0.89 -1.04 120.64 125.55 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 0.00 0.14 -2.53 3.44 1.74 -0.39 -4.59 116.66 114.48 1yar n ARG 18 Ca 0.00 -0.35 -0.42 0.00 -0.77 0.00 0.00 57.85 56.31 1yar n ARG 18 Cb 0.00 -0.58 -0.03 0.00 -1.02 0.00 0.00 32.46 30.83 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 -0.07 4.52 -0.22 5.56 3.52 -0.83 0.18 118.95 131.60 1yar s ARG 19 Ca 0.00 1.66 0.01 0.00 -0.13 0.00 0.00 55.73 57.27 1yar s ARG 19 Cb 0.00 -3.35 0.03 0.00 -1.56 0.00 0.00 34.95 30.07 1yar s ARG 19 CO 0.00 -0.09 -0.13 0.08 -0.81 0.00 0.00 175.30 174.35 1yar s VAL 20 N 0.61 2.33 0.26 7.11 1.01 0.28 -4.74 120.40 127.25 1yar s VAL 20 Ca 0.54 -1.18 0.10 0.00 0.00 0.00 0.00 61.98 61.44 1yar s VAL 20 Cb -0.27 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1yar s VAL 20 CO 0.31 0.27 -0.05 0.42 0.00 0.00 0.00 175.10 176.04 1yar s THR 21 N 1.24 3.24 -0.23 3.92 -4.23 -1.26 -1.38 115.64 116.95 1yar s THR 21 Ca -0.01 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1yar s THR 21 Cb -0.16 -2.71 0.06 0.00 1.34 0.00 0.00 72.50 71.03 1yar s THR 21 CO -0.08 -0.34 -0.03 -0.32 -0.54 0.00 0.00 174.62 173.30 1yar s MET 22 N -3.53 1.42 5.96 3.99 -2.45 0.12 -4.90 119.30 119.91 1yar s MET 22 Ca 0.30 -0.88 0.00 0.00 -1.25 0.00 0.00 55.69 53.86 1yar s MET 22 Cb -0.06 -2.50 0.00 0.00 1.25 0.00 0.00 34.83 33.52 1yar s MET 22 CO 0.18 -0.61 0.00 -1.91 1.05 0.00 0.00 175.02 173.73 1yar n GLU 23 N 4.75 0.00 0.00 4.11 4.07 -1.26 -1.07 120.64 131.24 1yar n GLU 23 Ca -0.11 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.13 1yar n GLU 23 Cb 0.45 0.00 0.60 0.00 -0.06 0.00 0.00 31.44 32.42 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 5.73 0.31 -4.63 4.31 0.23 -1.26 -4.87 115.26 115.08 1yar n ASN 24 Ca 0.00 -0.28 -0.42 0.00 -0.53 0.00 0.00 54.58 53.35 1yar n ASN 24 Cb 0.00 -0.15 -0.04 0.00 -2.08 0.00 0.00 39.78 37.51 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 -2.64 3.25 -0.75 -2.53 2.19 -0.23 -4.99 117.98 112.29 1yar s PHE 25 Ca 0.24 1.02 -0.23 0.00 0.33 0.00 0.00 56.93 58.30 1yar s PHE 25 Cb 0.20 -3.18 0.07 0.00 -1.31 0.00 0.00 43.02 38.80 1yar s PHE 25 CO 0.51 -0.50 1.08 0.42 1.83 0.00 0.00 175.22 178.55 1yar s ILE 26 N 2.97 4.28 0.07 3.12 1.01 -1.26 -0.70 121.20 130.69 1yar s ILE 26 Ca 0.35 -0.49 -0.12 0.00 0.00 0.00 0.00 60.65 60.39 1yar s ILE 26 Cb -0.14 -4.76 -0.27 0.00 0.01 0.00 0.00 42.46 37.29 1yar s ILE 26 CO 0.10 -1.56 1.14 0.24 0.00 0.00 0.00 174.94 174.86 1yar h MET 27 N 9.53 0.55 -3.75 2.79 2.86 -1.57 -3.45 114.93 121.88 1yar h MET 27 Ca -0.17 -0.73 -0.31 0.00 -2.06 0.00 0.00 59.70 56.42 1yar h MET 27 Cb 1.05 0.24 -0.32 0.00 0.06 0.00 0.00 31.60 32.63 1yar h MET 27 CO 1.20 1.32 -0.74 -1.01 1.06 0.00 0.00 176.91 178.74 1yar s HIS 28 N -2.98 0.22 -0.77 -0.22 3.76 -0.98 -5.01 115.29 109.31 1yar s HIS 28 Ca -0.08 0.02 0.23 0.00 -0.15 0.00 0.00 55.06 55.07 1yar s HIS 28 Cb 0.06 -0.29 0.01 0.00 1.11 0.00 0.00 32.58 33.47 1yar s HIS 28 CO 0.92 -0.09 1.02 1.63 -0.85 0.00 0.00 174.74 177.37 1yar n LYS 29 N 3.83 0.17 -2.46 1.40 5.02 -1.26 -0.56 118.16 124.31 1yar n LYS 29 Ca -0.23 -0.02 -0.16 0.00 -2.02 0.00 0.00 58.31 55.88 1yar n LYS 29 Cb 0.53 -1.54 0.02 0.00 -0.02 0.00 0.00 35.03 34.02 1yar n LYS 29 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1yar n ASN 30 N -1.75 3.37 -4.73 4.39 3.02 -1.23 -4.21 115.26 114.13 1yar n ASN 30 Ca 0.03 -3.11 -0.31 0.00 -0.03 0.00 0.00 54.58 51.16 1yar n ASN 30 Cb 0.39 -0.44 0.12 0.00 -0.61 0.00 0.00 39.78 39.25 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 -3.55 1.70 -0.17 7.41 0.00 0.13 -5.03 107.32 107.81 1yar s GLY 31 Ca 0.40 0.43 -0.02 0.00 0.00 0.00 0.00 44.72 45.52 1yar s GLY 31 CO -0.03 0.81 -0.07 1.25 0.00 0.00 0.00 173.10 175.05 1yar s LYS 32 N -4.76 3.46 0.00 2.90 2.20 -1.26 -4.56 119.74 117.71 1yar s LYS 32 Ca 0.64 -0.62 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 1yar s LYS 32 Cb -0.20 -2.84 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 1yar s LYS 32 CO 0.56 0.07 0.51 1.63 -0.36 0.00 0.00 175.35 177.77 1yar n LYS 33 N 3.99 0.41 -4.48 4.03 5.02 -1.26 -5.01 118.16 120.86 1yar n LYS 33 Ca -0.18 -0.64 -0.29 0.00 -2.02 0.00 0.00 58.31 55.19 1yar n LYS 33 Cb 0.52 -0.80 -0.17 0.00 -0.02 0.00 0.00 35.03 34.56 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 -0.25 1.74 0.01 -0.35 2.96 -1.26 -1.57 118.68 119.96 1yar s LEU 34 Ca 0.00 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 1yar s LEU 34 Cb 0.00 -1.11 -0.01 0.00 0.50 0.00 0.00 46.19 45.57 1yar s LEU 34 CO 0.00 0.02 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.62 1yar s PHE 35 N 0.97 0.59 -0.07 5.38 0.08 -0.37 -5.00 117.98 119.54 1yar s PHE 35 Ca -0.07 -0.20 -0.28 0.00 0.12 0.00 0.00 56.93 56.50 1yar s PHE 35 Cb -0.15 -0.37 -0.02 0.00 -0.57 0.00 0.00 43.02 41.91 1yar s PHE 35 CO -0.01 -0.02 0.94 -1.14 -0.10 0.00 0.00 175.22 174.89 1yar s GLN 36 N -0.50 4.45 0.00 0.44 0.74 -1.26 -1.10 119.66 122.42 1yar s GLN 36 Ca -0.00 1.30 0.09 0.00 0.05 0.00 0.00 55.36 56.79 1yar s GLN 36 Cb -0.04 -3.51 -0.10 0.00 1.10 0.00 0.00 33.01 30.46 1yar s GLN 36 CO -0.00 -0.19 0.38 0.44 -0.55 0.00 0.00 175.29 175.38 1yar n ILE 37 N 4.27 0.00 -3.83 -2.34 -5.35 -0.24 -4.93 119.36 106.95 1yar n ILE 37 Ca 0.06 -0.29 -0.07 0.00 -0.27 0.00 0.00 62.75 62.18 1yar n ILE 37 Cb 0.50 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.40 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 -1.85 -0.12 0.24 7.28 2.15 -0.98 -4.42 116.67 118.98 1yar s ASP 38 Ca 0.03 -0.84 -0.07 0.00 0.43 0.00 0.00 52.55 52.11 1yar s ASP 38 Cb 0.07 0.75 0.43 0.00 -0.30 0.00 0.00 42.92 43.87 1yar s ASP 38 CO 0.37 -1.45 1.64 0.74 -0.17 0.00 0.00 175.17 176.30 1yar h THR 39 N 2.00 0.37 -0.35 1.71 2.02 -1.97 -2.64 112.91 114.05 1yar h THR 39 Ca -0.26 -0.04 -0.26 0.00 0.77 0.00 0.00 66.41 66.62 1yar h THR 39 Cb 1.25 0.24 -0.25 0.00 -1.74 0.00 0.00 68.15 67.65 1yar h THR 39 CO 0.32 0.02 -0.73 -1.22 0.37 0.00 0.00 175.52 174.28 1yar n TYR 40 N -5.31 1.24 -3.79 3.16 4.01 -1.26 -1.71 117.16 113.50 1yar n TYR 40 Ca 0.13 -1.76 -0.15 0.00 -0.16 0.00 0.00 57.90 55.96 1yar n TYR 40 Cb 0.46 -0.28 -0.16 0.00 -0.31 0.00 0.00 39.34 39.06 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 -3.56 -0.04 0.26 -0.72 2.01 -1.00 -1.75 115.64 110.84 1yar s THR 41 Ca 0.42 0.18 0.07 0.00 0.31 0.00 0.00 61.69 62.67 1yar s THR 41 Cb 0.38 -0.08 -0.05 0.00 0.01 0.00 0.00 72.50 72.76 1yar s THR 41 CO -0.03 0.08 -0.09 -0.83 -0.69 0.00 0.00 174.62 173.06 1yar s GLY 42 N 0.92 1.73 -0.03 4.40 0.00 0.12 -1.08 107.32 113.38 1yar s GLY 42 Ca -0.08 -1.84 -0.03 0.00 0.00 0.00 0.00 44.72 42.77 1yar s GLY 42 CO -0.02 -1.82 0.08 -0.29 0.00 0.00 0.00 173.10 171.04 1yar s MET 43 N -3.70 0.14 0.20 2.90 1.75 -0.26 -1.16 119.30 119.17 1yar s MET 43 Ca 0.28 0.02 0.09 0.00 -1.25 0.00 0.00 55.69 54.83 1yar s MET 43 Cb 0.02 0.06 -0.04 0.00 2.84 0.00 0.00 34.83 37.72 1yar s MET 43 CO 0.11 -0.02 -0.04 0.95 -0.65 0.00 0.00 175.02 175.36 1yar s THR 44 N -0.18 3.42 -0.02 10.11 -4.23 -0.42 -1.24 115.64 123.08 1yar s THR 44 Ca -0.02 -1.65 0.05 0.00 -1.18 0.00 0.00 61.69 58.89 1yar s THR 44 Cb -0.02 -2.74 -0.01 0.00 1.34 0.00 0.00 72.50 71.07 1yar s THR 44 CO 0.00 -0.18 -0.18 0.27 -0.54 0.00 0.00 174.62 174.00 1yar s ILE 45 N -1.87 1.41 0.04 2.99 -4.36 -0.61 -2.38 121.20 116.42 1yar s ILE 45 Ca 0.27 -0.75 0.01 0.00 -0.26 0.00 0.00 60.65 59.92 1yar s ILE 45 Cb -0.08 -1.17 -0.03 0.00 1.25 0.00 0.00 42.46 42.43 1yar s ILE 45 CO 0.17 0.40 -0.05 0.00 0.24 0.00 0.00 174.94 175.70 1yar s ALA 46 N -0.36 0.44 0.00 2.27 0.00 -0.78 -4.90 121.76 118.42 1yar s ALA 46 Ca 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1yar s ALA 46 Cb -0.07 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1yar s ALA 46 CO -0.00 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1yar n GLY 47 N 1.24 -0.13 3.65 0.00 0.00 -1.26 -1.64 105.19 107.04 1yar n GLY 47 Ca -0.21 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 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 4.19 0.10 0.99 2.96 -0.20 -4.91 118.68 121.81 1yar s LEU 48 Ca 0.00 2.01 -0.22 0.00 -0.22 0.00 0.00 54.13 55.70 1yar s LEU 48 Cb 0.00 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 43.05 1yar s LEU 48 CO 0.00 -1.00 1.73 0.58 -1.32 0.00 0.00 176.35 176.34 1yar h VAL 49 N 5.73 0.94 -0.93 1.68 2.07 -1.93 -1.31 116.25 122.51 1yar h VAL 49 Ca -0.36 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.25 1yar h VAL 49 Cb 1.16 0.92 -0.08 0.00 -1.52 0.00 0.00 31.29 31.77 1yar h VAL 49 CO 0.97 0.00 0.57 1.23 0.02 0.00 0.00 177.57 180.36 1yar h GLY 50 N 0.02 1.47 0.85 2.17 0.00 -2.00 -0.33 103.07 105.25 1yar h GLY 50 Ca 0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1yar h GLY 50 CO -0.06 0.19 0.04 -0.55 0.00 0.00 0.00 176.54 176.16 1yar h ASP 51 N 0.95 0.32 -0.61 0.19 3.32 -1.86 -2.36 116.42 116.37 1yar h ASP 51 Ca 0.44 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1yar h ASP 51 Cb 0.37 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1yar h ASP 51 CO -0.24 0.48 0.30 0.00 -1.72 0.00 0.00 179.24 178.06 1yar h ALA 52 N 0.85 0.79 -0.60 3.45 0.00 -0.71 -2.45 119.26 120.59 1yar h ALA 52 Ca 0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1yar h ALA 52 Cb 0.29 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1yar h ALA 52 CO 0.00 0.35 0.02 1.96 0.00 0.00 0.00 179.25 181.58 1yar h GLN 53 N 0.84 1.05 -0.47 0.00 4.20 -1.03 -0.73 115.11 118.97 1yar h GLN 53 Ca 0.21 -0.32 0.04 0.00 0.06 0.00 0.00 58.65 58.64 1yar h GLN 53 Cb 0.11 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 1yar h GLN 53 CO -0.03 1.01 0.23 0.28 -0.67 0.00 0.00 178.83 179.66 1yar h VAL 54 N 0.96 0.96 -0.90 -0.54 2.07 -1.33 -1.63 116.25 115.84 1yar h VAL 54 Ca 0.18 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 1yar h VAL 54 Cb 0.53 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1yar h VAL 54 CO 0.03 0.08 0.49 -0.07 0.02 0.00 0.00 177.57 178.12 1yar h LEU 55 N 0.46 1.13 -0.33 2.57 3.38 -0.94 -0.25 115.31 121.32 1yar h LEU 55 Ca 0.20 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1yar h LEU 55 Cb 0.11 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1yar h LEU 55 CO -0.15 0.91 0.18 0.58 0.09 0.00 0.00 178.44 180.05 1yar h VAL 56 N 1.26 1.14 -0.29 1.22 2.07 -0.91 0.02 116.25 120.76 1yar h VAL 56 Ca 0.31 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1yar h VAL 56 Cb 0.04 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1yar h VAL 56 CO -0.05 0.14 0.13 0.03 0.02 0.00 0.00 177.57 177.84 1yar h ARG 57 N 0.41 0.27 -0.09 1.57 3.08 -0.86 -0.32 114.38 118.43 1yar h ARG 57 Ca 0.12 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1yar h ARG 57 Cb 0.07 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1yar h ARG 57 CO -0.02 0.18 0.05 -0.92 -1.07 0.00 0.00 179.97 178.18 1yar h TYR 58 N 0.27 0.08 -0.42 3.04 3.20 -0.81 -1.99 116.97 120.36 1yar h TYR 58 Ca 0.12 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1yar h TYR 58 Cb 0.06 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 1yar h TYR 58 CO -0.11 0.05 0.28 0.52 -1.64 0.00 0.00 178.16 177.26 1yar h MET 59 N 0.10 0.55 -0.69 1.82 2.86 -0.75 0.39 114.93 119.22 1yar h MET 59 Ca 0.04 -0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.75 1yar h MET 59 Cb 0.00 -0.12 -0.08 0.00 0.06 0.00 0.00 31.60 31.46 1yar h MET 59 CO -0.02 0.37 0.30 0.87 1.06 0.00 0.00 176.91 179.49 1yar h LYS 60 N 0.57 0.49 0.17 1.72 1.57 -0.96 -0.35 116.57 119.77 1yar h LYS 60 Ca 0.15 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1yar h LYS 60 Cb -0.06 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.14 1yar h LYS 60 CO -0.03 0.33 -0.08 0.00 -0.57 0.00 0.00 179.45 179.09 1yar h ALA 61 N 1.45 -0.23 -0.78 3.86 0.00 -0.44 -2.54 119.26 120.58 1yar h ALA 61 Ca 0.35 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1yar h ALA 61 Cb 0.43 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1yar h ALA 61 CO -0.31 -0.41 0.32 1.49 0.00 0.00 0.00 179.25 180.34 1yar h GLU 62 N -0.67 1.15 -0.13 0.00 4.57 -0.16 -0.95 114.58 118.38 1yar h GLU 62 Ca -0.02 -0.20 -0.16 0.00 -1.18 0.00 0.00 59.36 57.79 1yar h GLU 62 Cb 0.49 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1yar h GLU 62 CO 0.04 0.93 -0.61 -0.07 -1.18 0.00 0.00 179.01 178.12 1yar h LEU 63 N 1.13 0.52 -0.05 1.64 3.38 -1.13 0.30 115.31 121.09 1yar h LEU 63 Ca 0.26 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1yar h LEU 63 Cb 0.20 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1yar h LEU 63 CO -0.02 1.00 0.02 -0.08 0.09 0.00 0.00 178.44 179.45 1yar h GLU 64 N 0.34 0.08 -0.20 1.13 4.81 -1.28 -1.41 114.58 118.06 1yar h GLU 64 Ca -0.01 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1yar h GLU 64 Cb 1.15 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.46 1yar h GLU 64 CO 0.11 0.25 -0.13 1.25 -0.73 0.00 0.00 179.01 179.75 1yar h LEU 65 N -0.10 -0.43 -0.45 1.64 5.85 -1.08 -1.63 115.31 119.11 1yar h LEU 65 Ca 0.02 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1yar h LEU 65 Cb 0.20 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1yar h LEU 65 CO -0.00 -0.17 0.25 0.22 -0.34 0.00 0.00 178.44 178.40 1yar h TYR 66 N -0.13 0.47 -0.52 1.25 5.03 -0.88 0.12 116.97 122.32 1yar h TYR 66 Ca 0.12 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.49 1yar h TYR 66 Cb 0.30 -0.15 -0.05 0.00 1.55 0.00 0.00 36.73 38.39 1yar h TYR 66 CO -0.29 0.26 0.25 -0.09 -1.32 0.00 0.00 178.16 176.98 1yar h ARG 67 N 0.51 0.47 -0.63 1.82 2.43 -1.02 0.24 114.38 118.20 1yar h ARG 67 Ca 0.19 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1yar h ARG 67 Cb 0.04 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1yar h ARG 67 CO -0.10 0.31 0.11 -0.07 -1.51 0.00 0.00 179.97 178.71 1yar h LEU 68 N 0.48 0.98 -0.23 3.80 3.38 -0.66 -0.98 115.31 122.08 1yar h LEU 68 Ca 0.23 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 1yar h LEU 68 Cb 0.16 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1yar h LEU 68 CO -0.18 0.97 -0.50 1.56 0.09 0.00 0.00 178.44 180.39 1yar h GLN 69 N 0.97 0.75 0.00 1.13 4.20 -0.35 -3.34 115.11 118.47 1yar h GLN 69 Ca 0.20 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.41 1yar h GLN 69 Cb 0.41 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1yar h GLN 69 CO 0.01 1.12 -0.85 0.54 -0.67 0.00 0.00 178.83 178.97 1yar n ARG 70 N -4.12 0.05 -1.41 1.46 3.00 0.79 -4.95 116.66 111.49 1yar n ARG 70 Ca -0.05 -0.01 -0.15 0.00 -0.01 0.00 0.00 57.85 57.63 1yar n ARG 70 Cb 0.60 -1.51 -0.06 0.00 0.00 0.00 0.00 32.46 31.48 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 -1.58 -1.46 -3.91 5.56 1.74 -0.38 -4.96 116.66 111.68 1yar n ARG 71 Ca 0.04 0.93 -0.09 0.00 -0.77 0.00 0.00 57.85 57.96 1yar n ARG 71 Cb 0.35 -5.23 -0.09 0.00 -1.02 0.00 0.00 32.46 26.47 1yar n ARG 71 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1yar s VAL 72 N -2.24 0.13 0.50 1.55 -7.23 -1.23 -5.06 120.40 106.82 1yar s VAL 72 Ca 0.00 -1.08 -0.22 0.00 -1.81 0.00 0.00 61.98 58.87 1yar s VAL 72 Cb 0.00 -0.95 -0.06 0.00 0.56 0.00 0.00 36.38 35.92 1yar s VAL 72 CO 0.00 -0.60 1.23 0.20 -0.31 0.00 0.00 175.10 175.62 1yar s ASN 73 N -2.20 5.82 0.18 4.85 -0.87 -1.26 -4.15 114.94 117.30 1yar s ASN 73 Ca -0.04 2.46 -0.32 0.00 -1.57 0.00 0.00 52.86 53.39 1yar s ASN 73 Cb -0.00 -2.61 -0.11 0.00 -0.02 0.00 0.00 41.25 38.50 1yar s ASN 73 CO -0.05 -1.17 1.78 -0.32 -2.57 0.00 0.00 177.10 174.77 1yar s MET 74 N -2.81 4.13 0.54 -0.60 -2.45 -1.26 -4.95 119.30 111.89 1yar s MET 74 Ca 0.67 2.62 -0.21 0.00 -1.25 0.00 0.00 55.69 57.52 1yar s MET 74 Cb -0.32 -3.29 -0.07 0.00 1.25 0.00 0.00 34.83 32.39 1yar s MET 74 CO 0.39 -0.80 0.98 -2.30 1.05 0.00 0.00 175.02 174.34 1yar n PRO 75 N 4.71 1.09 -0.28 4.11 -0.02 -1.26 -4.76 135.00 138.59 1yar n PRO 75 Ca 0.17 0.41 -0.06 0.00 -2.02 0.00 0.00 63.50 62.00 1yar n PRO 75 Cb 0.36 -2.13 0.08 0.00 -0.02 0.00 0.00 33.50 31.79 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 0.90 1.26 -0.02 4.25 1.08 -1.92 0.03 117.51 123.08 1yar h ILE 76 Ca -0.47 -0.84 -0.02 0.00 -0.39 0.00 0.00 64.86 63.14 1yar h ILE 76 Cb 1.35 0.35 -0.00 0.00 -3.07 0.00 0.00 36.82 35.45 1yar h ILE 76 CO 0.53 0.34 -0.10 -0.08 -0.69 0.00 0.00 178.15 178.14 1yar h GLU 77 N 1.13 0.03 -0.40 2.37 4.81 -1.99 -1.94 114.58 118.59 1yar h GLU 77 Ca 0.26 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.35 1yar h GLU 77 Cb 0.24 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1yar h GLU 77 CO -0.02 0.14 -0.29 0.00 -0.73 0.00 0.00 179.01 178.11 1yar h ALA 78 N 1.87 0.73 -0.38 2.92 0.00 -1.38 -0.65 119.26 122.37 1yar h ALA 78 Ca 0.01 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 54.54 1yar h ALA 78 Cb 0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1yar h ALA 78 CO 0.01 0.66 0.16 0.28 0.00 0.00 0.00 179.25 180.37 1yar h VAL 79 N 0.74 0.93 -0.51 0.00 2.07 -0.81 0.70 116.25 119.38 1yar h VAL 79 Ca 0.08 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 1yar h VAL 79 Cb 0.85 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1yar h VAL 79 CO 0.07 0.06 -0.02 0.00 0.02 0.00 0.00 177.57 177.71 1yar h ALA 80 N 1.22 1.01 -0.28 1.67 0.00 -1.25 -1.89 119.26 119.73 1yar h ALA 80 Ca 0.17 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1yar h ALA 80 Cb 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1yar h ALA 80 CO -0.15 0.61 -0.10 1.15 0.00 0.00 0.00 179.25 180.76 1yar h THR 81 N 0.80 1.29 -0.11 0.00 2.02 -0.89 -0.20 112.91 115.83 1yar h THR 81 Ca 0.15 -1.17 0.04 0.00 0.77 0.00 0.00 66.41 66.20 1yar h THR 81 Cb 0.51 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 1yar h THR 81 CO 0.03 0.37 -0.12 0.25 0.37 0.00 0.00 175.52 176.42 1yar h LEU 82 N 0.32 -0.37 -0.76 2.58 5.85 -0.74 -0.64 115.31 121.53 1yar h LEU 82 Ca 0.07 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1yar h LEU 82 Cb 0.60 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 1yar h LEU 82 CO 0.03 -0.16 0.49 -0.07 -0.34 0.00 0.00 178.44 178.39 1yar h LEU 83 N -0.15 0.89 0.32 2.25 3.38 -1.29 -1.56 115.31 119.15 1yar h LEU 83 Ca 0.08 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1yar h LEU 83 Cb 0.27 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1yar h LEU 83 CO -0.20 0.66 -0.36 0.28 0.09 0.00 0.00 178.44 178.92 1yar h SER 84 N 1.04 -0.98 -0.48 -0.43 0.02 -0.67 -0.90 113.55 111.15 1yar h SER 84 Ca 0.28 0.09 0.09 0.00 -0.84 0.00 0.00 61.79 61.40 1yar h SER 84 Cb -0.09 0.34 -0.07 0.00 0.14 0.00 0.00 62.40 62.71 1yar h SER 84 CO -0.06 -0.49 0.04 0.78 -1.14 0.00 0.00 176.83 175.96 1yar h ASN 85 N -0.71 -0.12 -0.39 3.07 2.35 -0.85 0.11 115.58 119.03 1yar h ASN 85 Ca -0.02 0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1yar h ASN 85 Cb 0.66 0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.16 1yar h ASN 85 CO -0.09 -0.03 0.21 -0.03 -1.65 0.00 0.00 177.43 175.85 1yar h MET 86 N 0.16 0.42 0.03 0.81 4.05 -1.08 -1.04 114.93 118.28 1yar h MET 86 Ca 0.24 -0.03 -0.26 0.00 -0.28 0.00 0.00 59.70 59.37 1yar h MET 86 Cb 0.34 -0.09 0.02 0.00 -0.80 0.00 0.00 31.60 31.07 1yar h MET 86 CO -0.36 0.28 -1.04 -0.07 0.23 0.00 0.00 176.91 175.95 1yar h LEU 87 N 0.43 0.87 -1.04 3.39 4.07 -0.68 -3.20 115.31 119.15 1yar h LEU 87 Ca 0.16 -0.76 -0.06 0.00 0.08 0.00 0.00 57.88 57.30 1yar h LEU 87 Cb 0.05 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.50 1yar h LEU 87 CO -0.10 1.52 0.04 -1.13 -1.08 0.00 0.00 178.44 177.70 1yar h ASN 88 N 0.31 0.69 -0.15 -0.43 -0.73 -0.73 -2.70 115.58 111.84 1yar h ASN 88 Ca -0.14 -0.14 0.04 0.00 1.87 0.00 0.00 56.30 57.93 1yar h ASN 88 Cb 1.70 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 40.10 1yar h ASN 88 CO 0.20 0.74 0.11 1.56 -0.37 0.00 0.00 177.43 179.67 1yar h GLN 89 N 0.70 0.00 -0.53 6.67 4.20 -1.18 -1.71 115.11 123.25 1yar h GLN 89 Ca 0.15 -0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.53 1yar h GLN 89 Cb 0.37 -0.00 -0.20 0.00 0.30 0.00 0.00 27.48 27.95 1yar h GLN 89 CO 0.01 0.00 -0.06 1.33 -0.67 0.00 0.00 178.83 179.44 1yar n VAL 90 N -4.49 2.72 0.29 -0.54 0.24 -1.04 -4.82 118.33 110.69 1yar n VAL 90 Ca 0.01 -3.00 0.13 0.00 -2.04 0.00 0.00 64.34 59.44 1yar n VAL 90 Cb 0.24 -0.57 0.85 0.00 -1.47 0.00 0.00 33.84 32.88 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 1.32 0.00 0.00 7.34 2.10 -1.09 0.09 116.57 126.34 1yar h LYS 91 Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 1yar h LYS 91 Cb 1.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.94 1yar h LYS 91 CO 0.64 0.00 -0.50 0.66 -2.00 0.00 0.00 179.45 178.25 1yar n TYR 92 N -4.03 0.18 -3.18 0.07 4.02 -1.26 -4.01 117.16 108.95 1yar n TYR 92 Ca -0.03 0.05 -0.23 0.00 -0.01 0.00 0.00 57.90 57.69 1yar n TYR 92 Cb 0.09 -0.41 -0.05 0.00 -0.02 0.00 0.00 39.34 38.95 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 -1.70 1.48 -2.01 -0.72 2.81 -0.04 -5.14 117.12 111.80 1yar n MET 93 Ca 0.05 -3.76 -0.30 0.00 -1.81 0.00 0.00 57.70 51.88 1yar n MET 93 Cb 0.37 -1.71 0.03 0.00 -0.71 0.00 0.00 33.22 31.20 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 -2.19 3.11 -0.20 0.03 0.04 -0.84 -4.88 135.00 130.06 1yar s PRO 94 Ca 0.40 0.45 -0.29 0.00 0.04 0.00 0.00 61.00 61.60 1yar s PRO 94 Cb 0.25 -2.10 -0.00 0.00 0.04 0.00 0.00 34.50 32.69 1yar s PRO 94 CO -0.09 -0.81 1.15 0.71 0.04 0.00 0.00 177.00 178.00 1yar s TYR 95 N -3.22 3.09 -1.27 0.56 1.51 -1.26 -4.94 117.35 111.81 1yar s TYR 95 Ca 0.56 1.23 -0.09 0.00 -1.01 0.00 0.00 57.07 57.76 1yar s TYR 95 Cb -0.11 -3.40 0.17 0.00 -0.11 0.00 0.00 41.96 38.52 1yar s TYR 95 CO 0.51 -1.09 1.86 -1.33 -1.11 0.00 0.00 175.55 174.38 1yar n MET 96 N 6.48 3.66 -4.20 -0.62 2.81 -1.26 -4.63 117.12 119.36 1yar n MET 96 Ca 0.13 -3.57 -0.12 0.00 -1.81 0.00 0.00 57.70 52.33 1yar n MET 96 Cb 0.45 -2.91 -0.10 0.00 -0.71 0.00 0.00 33.22 29.95 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 0.27 0.71 -0.07 2.03 -7.23 -1.26 -1.03 120.40 113.81 1yar s VAL 97 Ca 0.39 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.63 1yar s VAL 97 Cb 0.09 -1.86 0.01 0.00 0.56 0.00 0.00 36.38 35.17 1yar s VAL 97 CO 0.01 -0.71 -0.17 -1.10 -0.31 0.00 0.00 175.10 172.82 1yar s GLN 98 N -3.86 2.11 0.05 4.82 -0.21 -0.65 -2.94 119.66 118.97 1yar s GLN 98 Ca 0.17 -0.60 0.07 0.00 0.02 0.00 0.00 55.36 55.02 1yar s GLN 98 Cb 0.05 -1.70 -0.03 0.00 1.00 0.00 0.00 33.01 32.33 1yar s GLN 98 CO -0.01 0.13 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.57 1yar s LEU 99 N 0.41 2.18 -0.10 2.90 1.43 -0.02 -1.87 118.68 123.61 1yar s LEU 99 Ca -0.13 -0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 52.43 1yar s LEU 99 Cb -0.15 -0.98 -0.02 0.00 0.03 0.00 0.00 46.19 45.07 1yar s LEU 99 CO 0.05 0.16 -0.09 -0.76 0.23 0.00 0.00 176.35 175.93 1yar s LEU 100 N -1.23 3.00 -0.15 1.79 1.43 -1.00 -0.56 118.68 121.96 1yar s LEU 100 Ca 0.07 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1yar s LEU 100 Cb -0.09 -1.67 -0.00 0.00 0.03 0.00 0.00 46.19 44.46 1yar s LEU 100 CO 0.02 0.26 -0.16 -0.69 0.23 0.00 0.00 176.35 176.02 1yar s VAL 101 N -0.23 2.65 0.04 -1.59 1.01 -0.07 -1.30 120.40 120.92 1yar s VAL 101 Ca 0.02 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.27 1yar s VAL 101 Cb -0.13 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1yar s VAL 101 CO 0.03 0.52 -0.14 -0.83 0.00 0.00 0.00 175.10 174.67 1yar s GLY 102 N 0.77 0.81 0.00 4.51 0.00 -0.31 -0.39 107.32 112.71 1yar s GLY 102 Ca -0.06 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1yar s GLY 102 CO 0.00 -0.84 0.00 0.61 0.00 0.00 0.00 173.10 172.87 1yar n GLY 103 N 1.79 -0.84 3.06 0.20 0.00 -0.61 0.11 105.19 108.90 1yar n GLY 103 Ca -0.19 -1.01 -0.26 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.00 1.28 0.00 -0.61 1.01 -0.72 -0.90 121.20 119.27 1yar s ILE 104 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1yar s ILE 104 Cb 0.00 -1.16 0.00 0.00 0.01 0.00 0.00 42.46 41.31 1yar s ILE 104 CO 0.00 0.39 0.00 -0.90 0.00 0.00 0.00 174.94 174.43 1yar n ASP 105 N 3.76 0.00 0.02 3.58 5.68 -1.26 -4.82 116.55 123.50 1yar n ASP 105 Ca -0.22 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.20 1yar n ASP 105 Cb 0.52 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 41.04 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 0.13 -3.64 2.12 -2.24 -1.26 -4.89 114.28 104.50 1yar n THR 106 Ca 0.00 -0.07 -0.13 0.00 -2.27 0.00 0.00 64.05 61.58 1yar n THR 106 Cb 0.00 -0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 67.70 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 -3.02 -1.11 0.47 6.98 0.00 -1.26 -5.16 121.76 118.65 1yar s ALA 107 Ca 0.13 0.43 -0.22 0.00 0.00 0.00 0.00 51.96 52.30 1yar s ALA 107 Cb 0.17 0.32 -0.08 0.00 0.00 0.00 0.00 23.12 23.53 1yar s ALA 107 CO 0.56 -0.45 1.12 -2.14 0.00 0.00 0.00 175.76 174.85 1yar s PRO 108 N -2.31 3.77 -0.10 0.00 0.02 -1.26 -4.37 135.00 130.74 1yar s PRO 108 Ca -0.06 1.65 -0.11 0.00 0.02 0.00 0.00 61.00 62.50 1yar s PRO 108 Cb -0.01 -2.33 0.03 0.00 0.02 0.00 0.00 34.50 32.21 1yar s PRO 108 CO -0.01 -0.51 0.30 -1.01 -0.33 0.00 0.00 177.00 175.44 1yar s HIS 109 N -1.66 -0.32 -0.08 6.54 3.76 -0.07 -4.99 115.29 118.47 1yar s HIS 109 Ca 0.64 0.76 0.03 0.00 -0.15 0.00 0.00 55.06 56.34 1yar s HIS 109 Cb -0.25 0.11 0.01 0.00 1.11 0.00 0.00 32.58 33.56 1yar s HIS 109 CO 0.30 -0.18 -0.16 0.08 -0.85 0.00 0.00 174.74 173.93 1yar s VAL 110 N 0.01 1.44 -0.03 -0.90 1.01 -1.25 -1.58 120.40 119.11 1yar s VAL 110 Ca -0.01 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1yar s VAL 110 Cb -0.02 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1yar s VAL 110 CO 0.01 0.42 -0.24 -0.36 0.00 0.00 0.00 175.10 174.94 1yar s PHE 111 N 0.59 2.41 -0.17 5.22 0.40 0.48 -1.35 117.98 125.56 1yar s PHE 111 Ca -0.15 -0.40 -0.08 0.00 -0.60 0.00 0.00 56.93 55.70 1yar s PHE 111 Cb -0.16 -1.53 -0.04 0.00 0.51 0.00 0.00 43.02 41.79 1yar s PHE 111 CO 0.05 -0.00 0.09 -1.12 0.70 0.00 0.00 175.22 174.94 1yar s SER 112 N -0.61 5.88 -0.09 1.36 0.01 -0.48 -0.89 113.70 118.89 1yar s SER 112 Ca 0.10 0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.56 1yar s SER 112 Cb -0.10 -1.99 0.01 0.00 0.21 0.00 0.00 66.02 64.15 1yar s SER 112 CO -0.00 0.22 -0.16 -0.63 0.41 0.00 0.00 173.24 173.08 1yar s ILE 113 N 0.11 1.45 0.58 1.44 1.01 0.28 -1.64 121.20 124.44 1yar s ILE 113 Ca 0.07 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 60.13 1yar s ILE 113 Cb -0.12 -1.31 0.08 0.00 0.01 0.00 0.00 42.46 41.12 1yar s ILE 113 CO 0.00 0.43 0.80 1.51 0.00 0.00 0.00 174.94 177.68 1yar s ASP 114 N 0.71 5.03 0.15 3.58 1.47 -0.13 -0.84 116.67 126.65 1yar s ASP 114 Ca -0.13 -0.58 0.18 0.00 1.18 0.00 0.00 52.55 53.21 1yar s ASP 114 Cb -0.16 -0.06 0.79 0.00 -0.34 0.00 0.00 42.92 43.16 1yar s ASP 114 CO 0.03 -1.35 1.56 0.00 0.68 0.00 0.00 175.17 176.09 1yar n ALA 115 N -2.33 1.56 -0.50 2.11 0.00 -1.15 -1.03 120.51 119.17 1yar n ALA 115 Ca 0.13 0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.72 1yar n ALA 115 Cb 0.61 -1.30 0.33 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.65 2.72 -1.04 0.00 0.00 -1.26 -4.59 120.51 114.68 1yar n ALA 116 Ca 0.02 -1.46 -0.01 0.00 0.00 0.00 0.00 53.44 51.99 1yar n ALA 116 Cb 0.17 -0.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 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 1.31 0.51 3.70 0.00 0.00 -0.19 -3.70 105.19 106.82 1yar n GLY 117 Ca 0.25 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.40 1.95 -0.07 -0.02 0.00 -1.26 -4.53 107.32 100.99 1yar s GLY 118 Ca 0.00 0.97 0.01 0.00 0.00 0.00 0.00 44.72 45.70 1yar s GLY 118 CO 0.00 2.41 -0.08 -0.45 0.00 0.00 0.00 173.10 174.98 1yar s SER 119 N 1.54 1.65 -0.05 1.64 0.15 -1.26 -0.96 113.70 116.42 1yar s SER 119 Ca 0.64 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 57.05 1yar s SER 119 Cb -0.33 -0.71 0.02 0.00 -1.71 0.00 0.00 66.02 63.29 1yar s SER 119 CO 0.28 -0.04 -0.05 -0.69 1.20 0.00 0.00 173.24 173.94 1yar s VAL 120 N 1.06 0.59 0.27 4.45 1.01 -0.65 -4.97 120.40 122.17 1yar s VAL 120 Ca -0.08 -0.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.49 1yar s VAL 120 Cb -0.14 -0.61 -0.09 0.00 0.00 0.00 0.00 36.38 35.53 1yar s VAL 120 CO -0.01 0.24 0.88 -0.70 0.00 0.00 0.00 175.10 175.52 1yar s GLU 121 N 0.91 4.58 0.14 2.72 2.12 -1.26 -1.38 118.70 126.53 1yar s GLU 121 Ca -0.11 1.26 -0.08 0.00 0.36 0.00 0.00 54.97 56.40 1yar s GLU 121 Cb -0.14 -2.96 -0.01 0.00 0.26 0.00 0.00 34.13 31.27 1yar s GLU 121 CO 0.00 0.38 0.23 0.34 -0.54 0.00 0.00 175.26 175.67 1yar s ASP 122 N -1.48 0.10 0.27 -1.70 -1.08 -0.46 -4.98 116.67 107.35 1yar s ASP 122 Ca 0.45 -0.88 0.10 0.00 -0.52 0.00 0.00 52.55 51.71 1yar s ASP 122 Cb -0.20 0.39 0.34 0.00 -1.46 0.00 0.00 42.92 41.99 1yar s ASP 122 CO 0.25 -0.83 1.61 0.16 0.52 0.00 0.00 175.17 176.87 1yar h ILE 123 N 2.64 1.45 -3.37 4.11 3.07 -1.95 -3.34 117.51 120.12 1yar h ILE 123 Ca -0.33 -2.14 -0.04 0.00 1.55 0.00 0.00 64.86 63.90 1yar h ILE 123 Cb 1.22 2.16 -0.11 0.00 -0.27 0.00 0.00 36.82 39.81 1yar h ILE 123 CO 0.52 0.61 -0.02 -0.72 -1.05 0.00 0.00 178.15 177.49 1yar s TYR 124 N -3.60 -0.12 0.16 0.16 -0.85 -1.26 -1.01 117.35 110.84 1yar s TYR 124 Ca -0.01 -0.21 -0.23 0.00 -0.52 0.00 0.00 57.07 56.10 1yar s TYR 124 Cb 0.13 0.32 0.07 0.00 0.38 0.00 0.00 41.96 42.85 1yar s TYR 124 CO 0.76 -0.83 0.59 0.00 -1.52 0.00 0.00 175.55 174.55 1yar s ALA 125 N -3.85 -1.55 -0.01 9.51 0.00 -0.29 -5.01 121.76 120.56 1yar s ALA 125 Ca 0.07 0.44 -0.07 0.00 0.00 0.00 0.00 51.96 52.41 1yar s ALA 125 Cb 0.00 0.88 0.00 0.00 0.00 0.00 0.00 23.12 24.00 1yar s ALA 125 CO -0.06 -0.77 0.14 0.45 0.00 0.00 0.00 175.76 175.52 1yar s SER 126 N -2.76 -0.00 0.26 0.00 0.15 -1.26 -1.35 113.70 108.73 1yar s SER 126 Ca 0.01 -0.13 0.02 0.00 0.70 0.00 0.00 55.95 56.56 1yar s SER 126 Cb -0.01 0.23 -0.05 0.00 -1.71 0.00 0.00 66.02 64.47 1yar s SER 126 CO -0.13 -0.32 0.05 0.42 1.20 0.00 0.00 173.24 174.47 1yar s THR 127 N -1.16 0.82 0.00 6.45 -4.23 -0.44 -4.90 115.64 112.18 1yar s THR 127 Ca -0.12 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.38 1yar s THR 127 Cb -0.07 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1yar s THR 127 CO 0.01 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 1yar n GLY 128 N -0.48 -0.19 0.32 3.99 0.00 -1.26 -1.71 105.19 105.87 1yar n GLY 128 Ca -0.02 -1.80 0.16 0.00 0.00 0.00 0.00 46.02 44.36 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 0.19 1.61 4.64 -1.71 -1.72 113.55 116.55 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 0.00 -0.19 0.61 -0.87 0.00 0.00 176.83 176.38 1yar n GLY 130 N -1.38 -0.51 0.34 -0.77 0.00 -0.43 -4.48 105.19 97.96 1yar n GLY 130 Ca -0.00 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.67 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 1.40 0.82 -0.56 1.61 4.64 -1.45 -2.52 113.55 117.49 1yar h SER 131 Ca 0.00 0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.38 1yar h SER 131 Cb 0.49 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.43 1yar h SER 131 CO 0.00 0.46 0.37 1.55 -0.87 0.00 0.00 176.83 178.34 1yar h PRO 132 N 0.91 0.69 -0.35 4.77 0.13 -1.82 0.70 132.00 137.03 1yar h PRO 132 Ca 0.44 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.47 1yar h PRO 132 Cb 0.40 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.36 1yar h PRO 132 CO -0.25 0.45 -0.04 0.74 -0.23 0.00 0.00 178.00 178.67 1yar h PHE 133 N 0.71 0.71 -0.24 1.56 0.04 -1.78 -1.97 116.94 115.96 1yar h PHE 133 Ca 0.22 -0.14 0.05 0.00 2.80 0.00 0.00 57.97 60.90 1yar h PHE 133 Cb -0.00 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 37.92 1yar h PHE 133 CO -0.00 0.78 -0.07 0.28 -0.60 0.00 0.00 178.31 178.69 1yar h VAL 134 N 0.44 0.73 -0.62 -0.55 2.07 -1.26 -2.59 116.25 114.47 1yar h VAL 134 Ca 0.09 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.67 1yar h VAL 134 Cb 0.52 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1yar h VAL 134 CO 0.03 0.00 0.41 1.88 0.02 0.00 0.00 177.57 179.91 1yar h TYR 135 N -0.02 0.62 0.07 1.57 0.05 -0.59 0.18 116.97 118.84 1yar h TYR 135 Ca 0.12 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.92 1yar h TYR 135 Cb 0.20 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1yar h TYR 135 CO -0.26 0.33 -0.07 0.78 -1.05 0.00 0.00 178.16 177.89 1yar h GLY 136 N 0.62 -0.14 0.96 3.88 0.00 -1.01 0.54 103.07 107.91 1yar h GLY 136 Ca 0.27 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 1yar h GLY 136 CO -0.08 -0.08 0.18 -2.08 0.00 0.00 0.00 176.54 174.49 1yar h VAL 137 N -0.16 1.14 -0.47 4.60 2.07 -0.97 -2.28 116.25 120.19 1yar h VAL 137 Ca 0.01 -0.38 -0.13 0.00 0.82 0.00 0.00 66.70 67.01 1yar h VAL 137 Cb 0.16 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1yar h VAL 137 CO -0.02 0.15 -0.23 -0.07 0.02 0.00 0.00 177.57 177.41 1yar h LEU 138 N 0.43 1.01 -0.89 2.57 3.38 -0.94 0.11 115.31 120.98 1yar h LEU 138 Ca 0.12 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 57.77 1yar h LEU 138 Cb 0.07 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.48 1yar h LEU 138 CO -0.02 1.19 0.55 -0.33 0.09 0.00 0.00 178.44 179.92 1yar h GLU 139 N 0.84 0.95 0.05 1.13 4.39 -0.77 -0.78 114.58 120.39 1yar h GLU 139 Ca 0.11 -0.06 -0.23 0.00 0.34 0.00 0.00 59.36 59.52 1yar h GLU 139 Cb 0.81 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1yar h GLU 139 CO 0.07 0.63 -1.06 1.03 -1.16 0.00 0.00 179.01 178.52 1yar h SER 140 N 0.98 0.20 0.00 1.42 0.87 -1.10 -3.41 113.55 112.49 1yar h SER 140 Ca 0.40 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1yar h SER 140 Cb 0.23 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1yar h SER 140 CO -0.20 1.12 -0.91 0.00 -0.53 0.00 0.00 176.83 176.32 1yar n GLN 141 N -3.48 0.61 -1.90 2.24 6.02 0.36 -5.04 117.38 116.19 1yar n GLN 141 Ca -0.04 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.54 1yar n GLN 141 Cb 0.94 -0.95 -0.02 0.00 1.02 0.00 0.00 30.24 31.23 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 -1.81 2.85 -0.03 1.08 5.04 -0.31 -5.02 117.35 119.14 1yar s TYR 142 Ca 0.00 1.01 0.01 0.00 -2.44 0.00 0.00 57.07 55.65 1yar s TYR 142 Cb 0.00 -3.93 0.02 0.00 0.35 0.00 0.00 41.96 38.40 1yar s TYR 142 CO 0.00 -2.97 -0.05 0.45 -1.34 0.00 0.00 175.55 171.64 1yar s SER 143 N 0.23 0.90 0.33 4.32 0.15 -1.26 -4.99 113.70 113.38 1yar s SER 143 Ca 0.58 -0.13 0.20 0.00 0.70 0.00 0.00 55.95 57.31 1yar s SER 143 Cb -0.45 -0.37 1.10 0.00 -1.71 0.00 0.00 66.02 64.59 1yar s SER 143 CO 0.49 -0.02 1.59 -0.33 1.20 0.00 0.00 173.24 176.18 1yar h GLU 144 N 6.89 0.00 -0.01 5.44 5.08 -1.96 -1.52 114.58 128.50 1yar h GLU 144 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1yar h GLU 144 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1yar h GLU 144 CO 0.48 0.00 -0.30 1.63 -1.00 0.00 0.00 179.01 179.82 1yar n LYS 145 N -2.23 1.07 -1.78 2.33 5.02 -1.26 -4.21 118.16 117.10 1yar n LYS 145 Ca -0.01 -0.74 -0.38 0.00 -2.02 0.00 0.00 58.31 55.15 1yar n LYS 145 Cb 0.11 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.68 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 -2.44 3.12 0.75 1.97 -1.94 -0.58 -5.02 119.30 115.17 1yar s MET 146 Ca 0.24 2.24 -0.11 0.00 -1.71 0.00 0.00 55.69 56.34 1yar s MET 146 Cb 0.19 -2.25 0.04 0.00 2.01 0.00 0.00 34.83 34.82 1yar s MET 146 CO 0.51 -1.21 1.08 0.95 -0.01 0.00 0.00 175.02 176.35 1yar s THR 147 N -1.30 3.55 0.20 2.05 -4.23 -1.26 -4.68 115.64 109.96 1yar s THR 147 Ca 0.72 0.50 -0.12 0.00 -1.18 0.00 0.00 61.69 61.61 1yar s THR 147 Cb -0.40 -3.22 0.15 0.00 1.34 0.00 0.00 72.50 70.37 1yar s THR 147 CO 0.48 -0.66 1.68 0.58 -0.54 0.00 0.00 174.62 176.16 1yar h VAL 148 N -0.93 0.58 -0.75 2.29 2.07 -1.99 0.81 116.25 118.34 1yar h VAL 148 Ca -0.45 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.09 1yar h VAL 148 Cb 1.24 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 1yar h VAL 148 CO 0.57 0.03 0.43 0.44 0.02 0.00 0.00 177.57 179.06 1yar h ASP 149 N 0.14 0.65 -0.42 0.57 3.32 -2.00 0.36 116.42 119.03 1yar h ASP 149 Ca 0.28 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.26 1yar h ASP 149 Cb 0.43 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1yar h ASP 149 CO -0.44 0.40 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.04 1yar h GLU 150 N 0.78 0.89 -0.63 3.56 5.08 -1.75 -2.27 114.58 120.24 1yar h GLU 150 Ca 0.34 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1yar h GLU 150 Cb 0.23 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1yar h GLU 150 CO -0.20 0.95 0.26 0.78 -1.00 0.00 0.00 179.01 179.80 1yar h GLY 151 N 0.97 1.00 0.99 -3.84 0.00 -0.06 -0.42 103.07 101.71 1yar h GLY 151 Ca 0.13 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1yar h GLY 151 CO 0.04 0.51 0.32 -2.08 0.00 0.00 0.00 176.54 175.33 1yar h VAL 152 N 0.88 1.18 -0.77 4.60 2.07 -0.87 -1.16 116.25 122.18 1yar h VAL 152 Ca 0.21 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1yar h VAL 152 Cb 0.19 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1yar h VAL 152 CO -0.02 0.19 0.40 0.44 0.02 0.00 0.00 177.57 178.61 1yar h ASP 153 N 0.77 0.97 0.09 0.57 3.32 -1.11 -2.04 116.42 118.99 1yar h ASP 153 Ca 0.20 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1yar h ASP 153 Cb 0.03 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.33 1yar h ASP 153 CO -0.03 0.81 -0.04 0.25 -1.72 0.00 0.00 179.24 178.50 1yar h LEU 154 N 1.07 -0.10 -1.18 1.55 5.85 -0.67 -0.32 115.31 121.50 1yar h LEU 154 Ca 0.27 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1yar h LEU 154 Cb 0.06 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1yar h LEU 154 CO -0.04 -0.00 0.18 -0.37 -0.34 0.00 0.00 178.44 177.87 1yar h VAL 155 N -0.20 1.20 -0.21 1.05 -1.51 -1.10 0.10 116.25 115.59 1yar h VAL 155 Ca -0.01 -0.65 -0.01 0.00 -1.23 0.00 0.00 66.70 64.80 1yar h VAL 155 Cb 0.16 0.61 -0.01 0.00 -2.13 0.00 0.00 31.29 29.92 1yar h VAL 155 CO 0.02 0.25 0.11 0.40 -1.23 0.00 0.00 177.57 177.12 1yar h ILE 156 N 0.74 1.12 -0.66 7.19 2.04 -1.14 -0.50 117.51 126.30 1yar h ILE 156 Ca 0.17 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.71 1yar h ILE 156 Cb 0.19 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1yar h ILE 156 CO -0.01 0.12 0.42 0.03 0.00 0.00 0.00 178.15 178.71 1yar h ARG 157 N 0.22 0.81 -0.10 2.37 3.08 -0.61 0.58 114.38 120.73 1yar h ARG 157 Ca 0.07 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1yar h ARG 157 Cb 0.10 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 1yar h ARG 157 CO -0.01 0.54 0.03 0.00 -1.07 0.00 0.00 179.97 179.46 1yar h ALA 158 N 1.27 0.13 -0.30 0.04 0.00 -0.65 -1.57 119.26 118.18 1yar h ALA 158 Ca 0.26 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1yar h ALA 158 Cb -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1yar h ALA 158 CO -0.09 -0.27 -0.34 0.82 0.00 0.00 0.00 179.25 179.37 1yar h ILE 159 N -0.02 1.29 -0.87 0.00 2.04 -1.01 -1.64 117.51 117.30 1yar h ILE 159 Ca 0.03 -1.48 -0.00 0.00 1.00 0.00 0.00 64.86 64.41 1yar h ILE 159 Cb 0.20 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1yar h ILE 159 CO -0.00 0.48 0.53 0.28 0.00 0.00 0.00 178.15 179.43 1yar h SER 160 N 0.56 1.04 -0.59 1.72 0.02 -0.81 -0.08 113.55 115.41 1yar h SER 160 Ca 0.06 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1yar h SER 160 Cb 0.85 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 1yar h SER 160 CO 0.07 0.80 0.30 0.00 -1.14 0.00 0.00 176.83 176.86 1yar h ALA 161 N 1.29 0.76 -0.68 3.77 0.00 -0.99 -2.22 119.26 121.19 1yar h ALA 161 Ca 0.31 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1yar h ALA 161 Cb -0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1yar h ALA 161 CO -0.06 0.30 0.36 0.00 0.00 0.00 0.00 179.25 179.85 1yar h ALA 162 N 1.13 0.87 -0.16 0.00 0.00 -0.83 -2.55 119.26 117.71 1yar h ALA 162 Ca 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1yar h ALA 162 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1yar h ALA 162 CO -0.03 0.40 0.05 0.87 0.00 0.00 0.00 179.25 180.54 1yar h LYS 163 N 0.93 0.22 0.00 0.00 1.57 -0.76 0.30 116.57 118.83 1yar h LYS 163 Ca 0.24 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1yar h LYS 163 Cb 0.06 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1yar h LYS 163 CO -0.04 0.20 -0.22 1.96 -0.57 0.00 0.00 179.45 180.78 1yar h GLN 164 N 0.22 0.00 0.00 3.15 1.08 -0.98 -3.36 115.11 115.23 1yar h GLN 164 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1yar h GLN 164 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1yar h GLN 164 CO -0.00 0.22 0.00 0.54 -0.95 0.00 0.00 178.83 178.63 1yar n ARG 165 N -3.42 5.28 -4.00 1.46 5.12 -0.70 -4.94 116.66 115.46 1yar n ARG 165 Ca -0.00 -0.06 -0.33 0.00 -1.93 0.00 0.00 57.85 55.54 1yar n ARG 165 Cb 0.41 -0.50 -0.14 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 -0.77 4.68 0.43 0.55 2.15 0.96 -4.99 116.67 119.69 1yar s ASP 166 Ca 0.00 -1.58 0.30 0.00 0.43 0.00 0.00 52.55 51.70 1yar s ASP 166 Cb 0.00 -1.63 1.45 0.00 -0.30 0.00 0.00 42.92 42.44 1yar s ASP 166 CO 0.00 -0.27 1.91 0.77 -0.17 0.00 0.00 175.17 177.41 1yar h SER 167 N 7.81 0.00 -0.05 -0.34 4.64 -1.86 -1.55 113.55 122.21 1yar h SER 167 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1yar h SER 167 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1yar h SER 167 CO 0.51 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.47 1yar n ALA 168 N -1.92 2.59 -2.35 5.18 0.00 -1.26 -4.81 120.51 117.94 1yar n ALA 168 Ca -0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 53.44 52.88 1yar n ALA 168 Cb 0.16 -1.25 -0.15 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.62 3.18 0.00 0.00 0.01 -0.58 -1.71 113.70 112.99 1yar s SER 169 Ca 0.31 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1yar s SER 169 Cb 0.15 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.09 1yar s SER 169 CO 0.24 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.76 1yar n GLY 170 N 1.75 -0.30 2.73 3.44 0.00 -1.26 -4.77 105.19 106.79 1yar n GLY 170 Ca -0.17 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.41 -2.32 3.77 -0.02 0.00 -1.26 -1.26 105.19 103.69 1yar n GLY 171 Ca 0.00 -1.73 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 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 4.09 0.15 1.61 -2.45 -1.26 -4.67 119.30 116.46 1yar s MET 172 Ca 0.00 2.07 -0.29 0.00 -1.25 0.00 0.00 55.69 56.23 1yar s MET 172 Cb 0.00 -2.82 -0.07 0.00 1.25 0.00 0.00 34.83 33.19 1yar s MET 172 CO 0.00 -0.36 0.90 0.42 1.05 0.00 0.00 175.02 177.03 1yar s ILE 173 N -1.27 4.39 -0.18 10.11 1.01 -1.26 -3.89 121.20 130.11 1yar s ILE 173 Ca 0.55 1.96 -0.01 0.00 0.00 0.00 0.00 60.65 63.15 1yar s ILE 173 Cb -0.36 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 37.84 1yar s ILE 173 CO 0.47 0.41 -0.14 -0.62 0.00 0.00 0.00 174.94 175.06 1yar s ASP 174 N -0.53 3.67 -0.03 3.58 2.15 -0.21 -4.98 116.67 120.32 1yar s ASP 174 Ca 0.42 -0.50 0.05 0.00 0.43 0.00 0.00 52.55 52.95 1yar s ASP 174 Cb -0.24 -1.58 -0.01 0.00 -0.30 0.00 0.00 42.92 40.79 1yar s ASP 174 CO 0.29 0.03 -0.17 -0.69 -0.17 0.00 0.00 175.17 174.46 1yar s VAL 175 N 1.11 1.41 0.03 1.11 1.01 -1.26 -1.49 120.40 122.32 1yar s VAL 175 Ca 0.00 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.34 1yar s VAL 175 Cb -0.14 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 1yar s VAL 175 CO -0.05 0.40 -0.21 0.00 0.00 0.00 0.00 175.10 175.25 1yar s ALA 176 N -0.08 1.77 -0.07 5.51 0.00 0.38 -0.79 121.76 128.47 1yar s ALA 176 Ca -0.01 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 50.97 1yar s ALA 176 Cb -0.10 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 1yar s ALA 176 CO 0.01 0.41 -0.18 0.08 0.00 0.00 0.00 175.76 176.08 1yar s VAL 177 N -0.71 2.69 -0.18 0.00 1.01 0.01 -1.25 120.40 121.98 1yar s VAL 177 Ca 0.08 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1yar s VAL 177 Cb -0.09 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.25 1yar s VAL 177 CO 0.01 0.57 -0.17 -0.63 0.00 0.00 0.00 175.10 174.87 1yar s ILE 178 N -0.24 2.32 0.12 2.22 1.01 0.10 -0.96 121.20 125.77 1yar s ILE 178 Ca 0.00 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.82 1yar s ILE 178 Cb -0.13 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 1yar s ILE 178 CO 0.03 0.52 -0.08 0.42 0.00 0.00 0.00 174.94 175.83 1yar s THR 179 N 1.22 0.91 0.32 2.92 -4.23 -0.73 -1.74 115.64 114.31 1yar s THR 179 Ca 0.03 -1.97 0.03 0.00 -1.18 0.00 0.00 61.69 58.60 1yar s THR 179 Cb -0.14 -1.73 0.14 0.00 1.34 0.00 0.00 72.50 72.11 1yar s THR 179 CO -0.09 -0.80 1.84 0.03 -0.54 0.00 0.00 174.62 175.06 1yar h ARG 180 N 2.92 0.56 -0.03 3.99 2.47 -1.87 0.55 114.38 122.97 1yar h ARG 180 Ca -0.36 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.22 1yar h ARG 180 Cb 1.18 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1yar h ARG 180 CO 0.63 0.61 -0.01 -0.22 0.56 0.00 0.00 179.97 181.54 1yar h LYS 181 N 0.53 0.06 -0.01 0.04 3.64 -1.96 -3.35 116.57 115.52 1yar h LYS 181 Ca 0.11 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1yar h LYS 181 Cb 0.39 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1yar h LYS 181 CO 0.02 0.43 -0.19 -0.25 -2.27 0.00 0.00 179.45 177.18 1yar n ASP 182 N -4.86 1.35 0.00 4.20 8.00 -1.21 -5.11 116.55 118.92 1yar n ASP 182 Ca -0.08 -1.17 0.00 0.00 0.71 0.00 0.00 54.79 54.25 1yar n ASP 182 Cb 0.22 0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 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 0.88 0.41 3.70 0.44 0.00 0.19 -4.65 105.19 106.16 1yar n GLY 183 Ca 0.05 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 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 3.48 -0.13 1.61 6.14 -0.69 -1.77 117.35 125.99 1yar s TYR 184 Ca 0.00 1.48 -0.02 0.00 0.64 0.00 0.00 57.07 59.16 1yar s TYR 184 Cb 0.00 -3.27 0.04 0.00 0.42 0.00 0.00 41.96 39.15 1yar s TYR 184 CO 0.00 -0.65 0.02 0.08 0.64 0.00 0.00 175.55 175.64 1yar s VAL 185 N 1.48 0.44 -0.14 3.14 1.01 -0.13 -5.00 120.40 121.19 1yar s VAL 185 Ca 0.54 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 62.02 1yar s VAL 185 Cb -0.23 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 1yar s VAL 185 CO 0.25 0.03 1.08 -1.58 0.00 0.00 0.00 175.10 174.88 1yar s GLN 186 N 1.92 4.34 0.36 2.72 0.74 -1.26 -0.81 119.66 127.67 1yar s GLN 186 Ca 0.02 1.46 -0.28 0.00 0.05 0.00 0.00 55.36 56.62 1yar s GLN 186 Cb -0.15 -3.60 -0.10 0.00 1.10 0.00 0.00 33.01 30.26 1yar s GLN 186 CO -0.07 -0.48 1.33 -0.51 -0.55 0.00 0.00 175.29 175.01 1yar s LEU 187 N 2.59 4.34 0.44 3.68 1.43 0.03 -4.98 118.68 126.22 1yar s LEU 187 Ca 0.49 2.73 -0.26 0.00 -1.03 0.00 0.00 54.13 56.06 1yar s LEU 187 Cb -0.19 -3.73 -0.09 0.00 0.03 0.00 0.00 46.19 42.21 1yar s LEU 187 CO 0.15 -0.68 1.44 -2.84 0.23 0.00 0.00 176.35 174.64 1yar s PRO 188 N -1.98 3.73 0.25 1.29 0.02 -1.26 -4.72 135.00 132.33 1yar s PRO 188 Ca 0.52 2.45 -0.04 0.00 0.02 0.00 0.00 61.00 63.95 1yar s PRO 188 Cb -0.40 -2.69 0.38 0.00 0.02 0.00 0.00 34.50 31.81 1yar s PRO 188 CO 0.53 -0.79 1.84 1.15 -0.33 0.00 0.00 177.00 179.40 1yar h THR 189 N 2.38 1.00 0.00 0.99 2.02 -1.94 -2.08 112.91 115.28 1yar h THR 189 Ca -0.51 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 1yar h THR 189 Cb 1.26 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1yar h THR 189 CO 0.61 0.17 -0.10 -2.24 0.37 0.00 0.00 175.52 174.33 1yar h ASP 190 N 0.96 0.00 -0.16 4.18 2.03 -1.98 0.19 116.42 121.64 1yar h ASP 190 Ca 0.40 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.56 1yar h ASP 190 Cb 0.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.76 1yar h ASP 190 CO -0.20 0.10 -0.45 -0.61 -1.03 0.00 0.00 179.24 177.05 1yar h GLN 191 N 0.00 0.59 -0.23 4.15 4.15 -1.76 -1.78 115.11 120.22 1yar h GLN 191 Ca -0.00 -0.42 -0.00 0.00 0.77 0.00 0.00 58.65 59.00 1yar h GLN 191 Cb 0.20 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1yar h GLN 191 CO 0.01 1.04 0.13 0.82 -1.93 0.00 0.00 178.83 178.90 1yar h ILE 192 N 0.24 1.11 -0.76 2.39 1.08 -0.99 -1.39 117.51 119.19 1yar h ILE 192 Ca -0.01 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 1yar h ILE 192 Cb 1.07 0.87 -0.04 0.00 -3.07 0.00 0.00 36.82 35.65 1yar h ILE 192 CO 0.10 0.10 0.49 -0.33 -0.69 0.00 0.00 178.15 177.82 1yar h GLU 193 N 0.27 1.01 -0.51 2.37 5.08 -0.71 -0.68 114.58 121.41 1yar h GLU 193 Ca 0.08 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1yar h GLU 193 Cb 0.05 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1yar h GLU 193 CO -0.01 0.68 0.11 1.03 -1.00 0.00 0.00 179.01 179.82 1yar h SER 194 N 1.03 0.79 -0.51 1.42 0.87 -1.07 -2.41 113.55 113.68 1yar h SER 194 Ca 0.28 -0.24 -0.11 0.00 -1.23 0.00 0.00 61.79 60.49 1yar h SER 194 Cb -0.09 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.64 1yar h SER 194 CO -0.06 0.83 -0.09 0.03 -0.53 0.00 0.00 176.83 177.02 1yar h ARG 195 N 0.72 0.98 -0.49 2.24 3.08 -0.66 -1.83 114.38 118.42 1yar h ARG 195 Ca 0.16 -0.34 0.04 0.00 0.07 0.00 0.00 59.98 59.91 1yar h ARG 195 Cb 0.36 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1yar h ARG 195 CO 0.00 1.02 0.25 0.82 -1.07 0.00 0.00 179.97 181.00 1yar h ILE 196 N 0.88 0.97 0.31 2.04 2.04 -1.04 0.66 117.51 123.36 1yar h ILE 196 Ca 0.14 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1yar h ILE 196 Cb 0.64 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1yar h ILE 196 CO 0.04 0.09 -0.25 0.03 0.00 0.00 0.00 178.15 178.07 1yar h ARG 197 N 0.50 -0.54 0.00 2.37 3.08 -1.33 -0.21 114.38 118.25 1yar h ARG 197 Ca 0.21 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1yar h ARG 197 Cb 0.12 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1yar h ARG 197 CO -0.15 -0.36 0.00 0.36 -1.07 0.00 0.00 179.97 178.75 1yar n LYS 198 N -5.37 0.17 0.00 0.04 2.85 -0.70 -0.57 118.16 114.58 1yar n LYS 198 Ca -0.09 0.39 0.12 0.00 -1.05 0.00 0.00 58.31 57.68 1yar n LYS 198 Cb 0.28 -1.82 0.21 0.00 -0.65 0.00 0.00 35.03 33.05 1yar n LYS 198 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1yar n LEU 199 N -2.14 0.56 -1.86 -5.58 4.77 0.20 -4.99 117.00 107.96 1yar n LEU 199 Ca 0.02 -0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.86 1yar n LEU 199 Cb 0.23 -0.22 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1yar n LEU 199 CO 0.19 0.14 0.09 0.61 -1.33 0.00 0.00 177.39 177.09 1yar n GLY 200 N 1.50 0.27 0.84 -0.72 0.00 0.26 -5.07 105.19 102.27 1yar n GLY 200 Ca 0.05 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.36 0.00 -4.35 0.99 4.77 -0.17 -5.03 117.00 110.84 1yar n LEU 201 Ca -0.03 -0.64 -0.26 0.00 -0.03 0.00 0.00 56.01 55.05 1yar n LEU 201 Cb 0.54 -0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.50 1yar n LEU 201 CO 0.27 -0.31 -0.53 -0.63 -1.33 0.00 0.00 177.39 174.85 1yar s ILE 202 N -0.65 2.03 0.00 -0.08 1.01 -1.26 -4.74 121.20 117.50 1yar s ILE 202 Ca 0.06 -1.75 0.00 0.00 0.00 0.00 0.00 60.65 58.96 1yar s ILE 202 Cb -0.01 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.62 1yar s ILE 202 CO 0.04 -0.05 0.00 -0.11 0.00 0.00 0.00 174.94 174.82