#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 0.46 0.07 12.58 2.01 -1.26 -0.91 115.64 128.59 1yar s THR 2 Ca 0.00 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 61.97 1yar s THR 2 Cb 0.00 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 1yar s THR 2 CO 0.00 0.22 -0.08 0.42 -0.69 0.00 0.00 174.62 174.49 1yar s THR 3 N 1.10 0.65 -0.06 -0.82 -4.23 -0.59 -2.42 115.64 109.27 1yar s THR 3 Ca -0.08 -1.44 -0.09 0.00 -1.18 0.00 0.00 61.69 58.90 1yar s THR 3 Cb -0.14 -1.07 0.02 0.00 1.34 0.00 0.00 72.50 72.65 1yar s THR 3 CO -0.01 -0.57 0.23 0.54 -0.54 0.00 0.00 174.62 174.27 1yar s VAL 4 N -2.27 0.03 -0.04 2.29 0.11 0.21 -1.56 120.40 119.18 1yar s VAL 4 Ca -0.01 -0.23 0.01 0.00 -2.93 0.00 0.00 61.98 58.83 1yar s VAL 4 Cb -0.04 -0.41 0.02 0.00 -1.53 0.00 0.00 36.38 34.42 1yar s VAL 4 CO -0.01 -0.13 -0.06 -0.83 -3.33 0.00 0.00 175.10 170.74 1yar s GLY 5 N -0.44 0.49 0.11 6.54 0.00 -0.32 -1.01 107.32 112.69 1yar s GLY 5 Ca -0.05 -0.15 0.07 0.00 0.00 0.00 0.00 44.72 44.59 1yar s GLY 5 CO 0.01 0.27 -0.17 -0.26 0.00 0.00 0.00 173.10 172.96 1yar s ILE 6 N 0.70 1.47 0.02 0.90 -4.36 0.17 -0.80 121.20 119.29 1yar s ILE 6 Ca -0.10 -1.58 0.03 0.00 -0.26 0.00 0.00 60.65 58.73 1yar s ILE 6 Cb -0.13 -1.46 -0.04 0.00 1.25 0.00 0.00 42.46 42.08 1yar s ILE 6 CO 0.01 -0.24 -0.03 0.42 0.24 0.00 0.00 174.94 175.34 1yar s THR 7 N -1.58 3.93 0.22 8.37 -4.23 0.24 -1.45 115.64 121.12 1yar s THR 7 Ca 0.06 -0.74 0.02 0.00 -1.18 0.00 0.00 61.69 59.85 1yar s THR 7 Cb -0.08 -2.76 -0.01 0.00 1.34 0.00 0.00 72.50 71.00 1yar s THR 7 CO 0.04 0.34 0.07 0.18 -0.54 0.00 0.00 174.62 174.71 1yar n LEU 8 N 1.32 0.00 -0.24 4.79 4.77 -0.11 -4.92 117.00 122.61 1yar n LEU 8 Ca -0.14 -1.62 -0.01 0.00 -0.03 0.00 0.00 56.01 54.21 1yar n LEU 8 Cb 0.52 0.51 0.06 0.00 -2.33 0.00 0.00 43.42 42.18 1yar n LEU 8 CO 0.33 -0.25 0.69 0.11 -1.33 0.00 0.00 177.39 176.94 1yar h LYS 9 N 0.00 -0.05 -0.05 3.23 1.57 -1.84 -3.09 116.57 116.35 1yar h LYS 9 Ca -0.17 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.44 1yar h LYS 9 Cb 0.63 0.01 -0.36 0.00 0.08 0.00 0.00 32.23 32.59 1yar h LYS 9 CO 0.27 -0.03 -1.00 -0.25 -0.57 0.00 0.00 179.45 177.86 1yar n ASP 10 N -5.47 1.15 -3.77 0.86 8.00 -1.26 -4.69 116.55 111.38 1yar n ASP 10 Ca 0.08 -2.18 -0.11 0.00 0.71 0.00 0.00 54.79 53.30 1yar n ASP 10 Cb 0.37 -0.34 -0.07 0.00 -0.02 0.00 0.00 41.12 41.06 1yar n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yar s ALA 11 N -0.68 -0.58 -0.03 2.24 0.00 -1.17 -4.49 121.76 117.05 1yar s ALA 11 Ca 0.34 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.18 1yar s ALA 11 Cb 0.38 0.41 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 1yar s ALA 11 CO -0.15 -0.46 -0.20 0.08 0.00 0.00 0.00 175.76 175.03 1yar s VAL 12 N -3.03 1.63 -0.09 0.00 1.01 -0.82 -0.94 120.40 118.16 1yar s VAL 12 Ca -0.02 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1yar s VAL 12 Cb 0.01 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 35.02 1yar s VAL 12 CO -0.06 0.46 -0.20 -0.63 0.00 0.00 0.00 175.10 174.67 1yar s ILE 13 N -0.26 1.77 0.06 2.22 1.01 -0.53 -0.60 121.20 124.87 1yar s ILE 13 Ca 0.02 -0.85 0.07 0.00 0.00 0.00 0.00 60.65 59.89 1yar s ILE 13 Cb -0.10 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 1yar s ILE 13 CO 0.01 0.50 -0.19 -0.04 0.00 0.00 0.00 174.94 175.22 1yar s MET 14 N 0.50 1.19 -0.03 2.79 -1.94 -0.40 -0.66 119.30 120.76 1yar s MET 14 Ca -0.16 -0.94 -0.22 0.00 -1.71 0.00 0.00 55.69 52.66 1yar s MET 14 Cb -0.17 -1.30 0.04 0.00 2.01 0.00 0.00 34.83 35.41 1yar s MET 14 CO 0.06 0.32 0.48 0.00 -0.01 0.00 0.00 175.02 175.88 1yar s ALA 15 N -0.91 -1.24 0.24 3.03 0.00 -0.18 -0.59 121.76 122.12 1yar s ALA 15 Ca 0.05 0.77 -0.06 0.00 0.00 0.00 0.00 51.96 52.72 1yar s ALA 15 Cb -0.09 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 1yar s ALA 15 CO 0.02 -0.32 0.32 0.95 0.00 0.00 0.00 175.76 176.72 1yar s THR 16 N -1.35 0.00 0.00 0.00 -4.23 -0.46 -0.62 115.64 108.98 1yar s THR 16 Ca -0.12 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 1yar s THR 16 Cb -0.03 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.42 1yar s THR 16 CO 0.06 0.00 0.00 -1.84 -0.54 0.00 0.00 174.62 172.30 1yar n GLU 17 N -0.36 3.21 0.00 3.99 -0.00 -1.02 -0.60 120.64 125.86 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 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.08 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 0.04 -2.63 3.44 1.74 -0.57 -4.59 116.66 114.08 1yar n ARG 18 Ca 0.00 -0.30 -0.42 0.00 -0.77 0.00 0.00 57.85 56.36 1yar n ARG 18 Cb 0.00 -0.52 -0.04 0.00 -1.02 0.00 0.00 32.46 30.89 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 -0.02 4.59 -0.21 5.56 3.52 -0.89 -0.29 118.95 131.22 1yar s ARG 19 Ca 0.00 1.54 0.01 0.00 -0.13 0.00 0.00 55.73 57.15 1yar s ARG 19 Cb 0.00 -3.38 0.03 0.00 -1.56 0.00 0.00 34.95 30.03 1yar s ARG 19 CO 0.00 0.02 -0.15 0.08 -0.81 0.00 0.00 175.30 174.44 1yar s VAL 20 N 0.47 2.29 0.22 7.11 1.01 -0.21 -4.68 120.40 126.62 1yar s VAL 20 Ca 0.51 -1.04 0.09 0.00 0.00 0.00 0.00 61.98 61.54 1yar s VAL 20 Cb -0.25 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1yar s VAL 20 CO 0.30 0.38 -0.05 0.42 0.00 0.00 0.00 175.10 176.15 1yar s THR 21 N 1.28 3.33 -0.37 3.92 -4.23 -1.26 -1.64 115.64 116.67 1yar s THR 21 Ca 0.02 -1.76 0.03 0.00 -1.18 0.00 0.00 61.69 58.79 1yar s THR 21 Cb -0.15 -2.71 0.11 0.00 1.34 0.00 0.00 72.50 71.09 1yar s THR 21 CO -0.10 -0.23 0.10 -0.32 -0.54 0.00 0.00 174.62 173.54 1yar s MET 22 N -3.21 1.39 7.19 3.99 1.75 0.29 -4.90 119.30 125.80 1yar s MET 22 Ca 0.28 -1.84 0.00 0.00 -1.25 0.00 0.00 55.69 52.88 1yar s MET 22 Cb -0.08 -2.93 0.00 0.00 2.84 0.00 0.00 34.83 34.67 1yar s MET 22 CO 0.17 -0.99 0.00 -1.91 -0.65 0.00 0.00 175.02 171.65 1yar n GLU 23 N 4.16 0.00 0.00 4.11 4.07 -1.26 -1.52 120.64 130.20 1yar n GLU 23 Ca 0.03 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.27 1yar n GLU 23 Cb 0.40 0.00 0.60 0.00 -0.06 0.00 0.00 31.44 32.38 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 7.68 0.27 -4.61 4.31 0.23 -1.26 -4.85 115.26 117.03 1yar n ASN 24 Ca 0.00 -0.20 -0.42 0.00 -0.53 0.00 0.00 54.58 53.43 1yar n ASN 24 Cb 0.00 -0.17 -0.04 0.00 -2.08 0.00 0.00 39.78 37.49 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 -2.68 3.13 -0.80 -2.53 2.19 -0.57 -4.98 117.98 111.74 1yar s PHE 25 Ca 0.23 0.78 -0.25 0.00 0.33 0.00 0.00 56.93 58.02 1yar s PHE 25 Cb 0.20 -3.47 0.04 0.00 -1.31 0.00 0.00 43.02 38.48 1yar s PHE 25 CO 0.51 -0.72 1.29 0.42 1.83 0.00 0.00 175.22 178.55 1yar s ILE 26 N 3.25 3.85 0.02 3.12 1.01 -1.26 -0.55 121.20 130.64 1yar s ILE 26 Ca 0.36 0.02 -0.19 0.00 0.00 0.00 0.00 60.65 60.83 1yar s ILE 26 Cb -0.13 -4.93 -0.19 0.00 0.01 0.00 0.00 42.46 37.22 1yar s ILE 26 CO 0.16 -1.83 1.20 0.24 0.00 0.00 0.00 174.94 174.71 1yar h MET 27 N 9.90 0.43 -3.78 2.79 2.86 -1.65 -3.46 114.93 122.01 1yar h MET 27 Ca -0.16 -0.35 -0.31 0.00 -2.06 0.00 0.00 59.70 56.82 1yar h MET 27 Cb 1.04 0.07 -0.32 0.00 0.06 0.00 0.00 31.60 32.46 1yar h MET 27 CO 1.30 0.99 -0.74 -1.01 1.06 0.00 0.00 176.91 178.51 1yar s HIS 28 N -3.63 0.22 -0.72 -0.22 3.76 -1.04 -5.02 115.29 108.64 1yar s HIS 28 Ca -0.13 0.01 0.24 0.00 -0.15 0.00 0.00 55.06 55.02 1yar s HIS 28 Cb 0.05 -0.27 0.20 0.00 1.11 0.00 0.00 32.58 33.67 1yar s HIS 28 CO 0.80 -0.07 1.17 1.63 -0.85 0.00 0.00 174.74 177.42 1yar n LYS 29 N 3.71 0.22 -2.59 1.40 5.02 -1.26 -1.04 118.16 123.61 1yar n LYS 29 Ca -0.21 0.02 -0.15 0.00 -2.02 0.00 0.00 58.31 55.95 1yar n LYS 29 Cb 0.54 -1.59 0.02 0.00 -0.02 0.00 0.00 35.03 33.98 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 -1.88 2.66 -4.78 4.39 3.02 -1.22 -4.27 115.26 113.18 1yar n ASN 30 Ca 0.03 -3.03 -0.31 0.00 -0.03 0.00 0.00 54.58 51.24 1yar n ASN 30 Cb 0.41 -0.50 0.08 0.00 -0.61 0.00 0.00 39.78 39.17 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 -3.33 1.66 -0.14 7.41 0.00 0.60 -5.04 107.32 108.49 1yar s GLY 31 Ca 0.35 0.15 -0.02 0.00 0.00 0.00 0.00 44.72 45.20 1yar s GLY 31 CO -0.04 0.50 -0.06 1.25 0.00 0.00 0.00 173.10 174.75 1yar s LYS 32 N -4.97 3.48 0.00 2.90 2.20 -1.26 -4.55 119.74 117.54 1yar s LYS 32 Ca 0.60 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 55.65 1yar s LYS 32 Cb -0.16 -2.81 0.00 0.00 -1.51 0.00 0.00 37.83 33.36 1yar s LYS 32 CO 0.56 0.30 0.18 1.63 -0.36 0.00 0.00 175.35 177.66 1yar n LYS 33 N 3.33 -0.05 -4.80 4.03 5.02 -1.26 -5.00 118.16 119.43 1yar n LYS 33 Ca -0.18 -0.18 -0.29 0.00 -2.02 0.00 0.00 58.31 55.64 1yar n LYS 33 Cb 0.53 -0.65 -0.17 0.00 -0.02 0.00 0.00 35.03 34.72 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 -0.09 1.88 -0.01 -0.35 2.96 -1.26 -1.58 118.68 120.24 1yar s LEU 34 Ca 0.00 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1yar s LEU 34 Cb 0.00 -1.18 -0.00 0.00 0.50 0.00 0.00 46.19 45.51 1yar s LEU 34 CO 0.00 0.08 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.71 1yar s PHE 35 N 0.64 0.36 -0.05 5.38 0.08 -0.34 -5.00 117.98 119.05 1yar s PHE 35 Ca -0.13 -0.07 -0.30 0.00 0.12 0.00 0.00 56.93 56.55 1yar s PHE 35 Cb -0.16 -0.25 -0.03 0.00 -0.57 0.00 0.00 43.02 42.01 1yar s PHE 35 CO 0.04 -0.02 1.07 -1.14 -0.10 0.00 0.00 175.22 175.07 1yar s GLN 36 N 0.01 4.43 -0.00 0.44 0.74 -1.26 -0.95 119.66 123.07 1yar s GLN 36 Ca 0.00 1.51 0.05 0.00 0.05 0.00 0.00 55.36 56.97 1yar s GLN 36 Cb -0.03 -3.51 -0.05 0.00 1.10 0.00 0.00 33.01 30.52 1yar s GLN 36 CO -0.00 -0.29 0.19 0.44 -0.55 0.00 0.00 175.29 175.08 1yar n ILE 37 N 4.37 0.00 -3.90 -2.34 -5.35 -0.26 -4.95 119.36 106.93 1yar n ILE 37 Ca 0.09 -0.36 -0.11 0.00 -0.27 0.00 0.00 62.75 62.10 1yar n ILE 37 Cb 0.48 0.93 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 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 -1.57 0.35 0.20 7.28 2.15 -1.03 -4.49 116.67 119.56 1yar s ASP 38 Ca 0.01 -1.29 -0.10 0.00 0.43 0.00 0.00 52.55 51.60 1yar s ASP 38 Cb 0.03 0.80 0.26 0.00 -0.30 0.00 0.00 42.92 43.71 1yar s ASP 38 CO 0.19 -1.58 1.73 0.74 -0.17 0.00 0.00 175.17 176.08 1yar h THR 39 N 2.03 0.74 -0.14 1.71 2.02 -1.97 -2.73 112.91 114.56 1yar h THR 39 Ca -0.31 -0.12 -0.11 0.00 0.77 0.00 0.00 66.41 66.64 1yar h THR 39 Cb 1.25 0.37 -0.09 0.00 -1.74 0.00 0.00 68.15 67.94 1yar h THR 39 CO 0.40 0.06 -0.57 -1.22 0.37 0.00 0.00 175.52 174.56 1yar n TYR 40 N -5.05 0.53 -4.03 3.16 4.01 -1.26 -3.33 117.16 111.18 1yar n TYR 40 Ca 0.08 -1.62 -0.17 0.00 -0.16 0.00 0.00 57.90 56.03 1yar n TYR 40 Cb 0.27 -0.26 -0.16 0.00 -0.31 0.00 0.00 39.34 38.88 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 -3.43 0.29 0.30 -0.72 2.01 -1.03 -1.69 115.64 111.36 1yar s THR 41 Ca 0.40 -0.04 0.07 0.00 0.31 0.00 0.00 61.69 62.44 1yar s THR 41 Cb 0.38 -0.32 -0.06 0.00 0.01 0.00 0.00 72.50 72.51 1yar s THR 41 CO -0.05 0.14 -0.07 -0.83 -0.69 0.00 0.00 174.62 173.12 1yar s GLY 42 N 0.60 1.92 -0.05 4.40 0.00 0.88 -1.10 107.32 113.97 1yar s GLY 42 Ca -0.06 -1.95 -0.04 0.00 0.00 0.00 0.00 44.72 42.66 1yar s GLY 42 CO -0.01 -1.89 0.13 -0.29 0.00 0.00 0.00 173.10 171.05 1yar s MET 43 N -3.69 0.15 0.14 2.90 1.75 -0.13 -1.14 119.30 119.29 1yar s MET 43 Ca 0.30 0.20 0.07 0.00 -1.25 0.00 0.00 55.69 55.02 1yar s MET 43 Cb 0.03 0.06 -0.04 0.00 2.84 0.00 0.00 34.83 37.72 1yar s MET 43 CO 0.13 -0.03 -0.05 0.95 -0.65 0.00 0.00 175.02 175.37 1yar s THR 44 N 0.16 3.54 -0.02 10.11 -4.23 -0.64 -1.20 115.64 123.37 1yar s THR 44 Ca -0.01 -1.38 0.07 0.00 -1.18 0.00 0.00 61.69 59.20 1yar s THR 44 Cb -0.02 -2.73 -0.02 0.00 1.34 0.00 0.00 72.50 71.08 1yar s THR 44 CO -0.00 -0.02 -0.24 0.27 -0.54 0.00 0.00 174.62 174.09 1yar s ILE 45 N -1.52 1.87 0.03 2.99 -4.36 -0.62 -2.39 121.20 117.20 1yar s ILE 45 Ca 0.25 -1.02 -0.02 0.00 -0.26 0.00 0.00 60.65 59.60 1yar s ILE 45 Cb -0.10 -1.55 -0.02 0.00 1.25 0.00 0.00 42.46 42.04 1yar s ILE 45 CO 0.16 0.52 0.01 0.00 0.24 0.00 0.00 174.94 175.87 1yar s ALA 46 N -0.56 0.17 0.00 2.27 0.00 -0.69 -4.91 121.76 118.04 1yar s ALA 46 Ca 0.09 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1yar s ALA 46 Cb -0.09 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1yar s ALA 46 CO -0.01 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1yar n GLY 47 N 0.98 0.15 3.67 0.00 0.00 -1.26 -0.98 105.19 107.74 1yar n GLY 47 Ca -0.20 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 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 4.30 0.07 0.99 2.96 -0.31 -4.91 118.68 121.79 1yar s LEU 48 Ca 0.00 2.09 -0.24 0.00 -0.22 0.00 0.00 54.13 55.76 1yar s LEU 48 Cb 0.00 -3.55 -0.16 0.00 0.50 0.00 0.00 46.19 42.98 1yar s LEU 48 CO 0.00 -0.80 1.67 0.58 -1.32 0.00 0.00 176.35 176.47 1yar h VAL 49 N 5.23 0.97 -0.61 1.68 2.07 -1.93 -0.89 116.25 122.77 1yar h VAL 49 Ca -0.36 -0.14 0.12 0.00 0.82 0.00 0.00 66.70 67.14 1yar h VAL 49 Cb 1.17 1.06 -0.09 0.00 -1.52 0.00 0.00 31.29 31.91 1yar h VAL 49 CO 0.93 0.03 0.11 1.23 0.02 0.00 0.00 177.57 179.90 1yar h GLY 50 N -0.15 0.76 0.91 2.17 0.00 -1.99 0.71 103.07 105.48 1yar h GLY 50 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1yar h GLY 50 CO 0.02 -0.13 0.11 -0.55 0.00 0.00 0.00 176.54 175.99 1yar h ASP 51 N 0.23 0.40 -0.54 0.19 3.32 -1.89 -2.17 116.42 115.95 1yar h ASP 51 Ca 0.32 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1yar h ASP 51 Cb 0.49 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1yar h ASP 51 CO -0.43 0.45 0.28 0.00 -1.72 0.00 0.00 179.24 177.82 1yar h ALA 52 N 0.96 0.70 -0.55 3.45 0.00 -0.69 -2.25 119.26 120.87 1yar h ALA 52 Ca 0.10 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1yar h ALA 52 Cb 0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1yar h ALA 52 CO -0.01 0.24 0.07 1.96 0.00 0.00 0.00 179.25 181.52 1yar h GLN 53 N 0.73 0.93 -0.62 0.00 4.20 -0.78 -1.01 115.11 118.56 1yar h GLN 53 Ca 0.19 -0.26 0.09 0.00 0.06 0.00 0.00 58.65 58.73 1yar h GLN 53 Cb 0.09 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 27.70 1yar h GLN 53 CO -0.03 0.91 0.25 0.28 -0.67 0.00 0.00 178.83 179.57 1yar h VAL 54 N 0.82 0.80 -0.40 -0.54 2.07 -1.32 -1.92 116.25 115.76 1yar h VAL 54 Ca 0.17 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 1yar h VAL 54 Cb 0.44 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1yar h VAL 54 CO 0.01 0.08 -0.09 -0.07 0.02 0.00 0.00 177.57 177.53 1yar h LEU 55 N 0.45 0.67 -0.19 2.57 3.38 -0.78 -0.60 115.31 120.81 1yar h LEU 55 Ca 0.31 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1yar h LEU 55 Cb 0.36 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1yar h LEU 55 CO -0.29 0.80 0.11 0.58 0.09 0.00 0.00 178.44 179.73 1yar h VAL 56 N 0.63 1.10 -0.47 1.22 2.07 -0.93 -0.68 116.25 119.19 1yar h VAL 56 Ca 0.11 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1yar h VAL 56 Cb 0.53 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1yar h VAL 56 CO 0.03 0.09 0.30 0.03 0.02 0.00 0.00 177.57 178.04 1yar h ARG 57 N 0.21 0.60 -0.02 1.57 3.08 -1.04 -0.98 114.38 117.80 1yar h ARG 57 Ca 0.07 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.09 1yar h ARG 57 Cb 0.05 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1yar h ARG 57 CO -0.01 0.39 -0.05 -0.92 -1.07 0.00 0.00 179.97 178.31 1yar h TYR 58 N 0.61 -0.12 -0.70 3.04 3.20 -0.95 -2.05 116.97 120.01 1yar h TYR 58 Ca 0.18 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1yar h TYR 58 Cb -0.04 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 1yar h TYR 58 CO -0.05 -0.08 0.35 0.52 -1.64 0.00 0.00 178.16 177.26 1yar h MET 59 N -0.08 1.00 -0.52 1.82 2.86 -0.87 0.29 114.93 119.43 1yar h MET 59 Ca 0.03 -0.14 0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1yar h MET 59 Cb 0.11 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 1yar h MET 59 CO -0.06 0.77 0.25 0.87 1.06 0.00 0.00 176.91 179.80 1yar h LYS 60 N 0.97 0.47 -0.09 1.72 1.57 -1.11 -0.93 116.57 119.17 1yar h LYS 60 Ca 0.24 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1yar h LYS 60 Cb 0.09 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1yar h LYS 60 CO -0.03 0.31 -0.02 0.00 -0.57 0.00 0.00 179.45 179.13 1yar h ALA 61 N 1.29 0.13 -0.44 3.86 0.00 -0.53 -2.56 119.26 121.00 1yar h ALA 61 Ca 0.23 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1yar h ALA 61 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1yar h ALA 61 CO -0.18 -0.14 -0.24 1.49 0.00 0.00 0.00 179.25 180.18 1yar h GLU 62 N -0.15 0.92 -0.13 0.00 4.57 -0.39 -1.20 114.58 118.20 1yar h GLU 62 Ca 0.02 -0.40 -0.13 0.00 -1.18 0.00 0.00 59.36 57.67 1yar h GLU 62 Cb 0.43 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1yar h GLU 62 CO 0.01 1.05 -0.50 -0.07 -1.18 0.00 0.00 179.01 178.32 1yar h LEU 63 N 0.79 0.38 -0.15 1.64 3.38 -1.22 0.17 115.31 120.30 1yar h LEU 63 Ca 0.10 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1yar h LEU 63 Cb 0.80 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1yar h LEU 63 CO 0.07 0.82 0.04 -0.08 0.09 0.00 0.00 178.44 179.38 1yar h GLU 64 N 0.28 0.23 0.04 1.13 4.81 -1.29 -1.29 114.58 118.48 1yar h GLU 64 Ca 0.01 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1yar h GLU 64 Cb 0.98 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1yar h GLU 64 CO 0.08 0.38 -0.07 1.25 -0.73 0.00 0.00 179.01 179.92 1yar h LEU 65 N 0.05 -0.19 -0.40 1.64 5.85 -1.05 -1.91 115.31 119.29 1yar h LEU 65 Ca 0.05 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.86 1yar h LEU 65 Cb 0.25 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 1yar h LEU 65 CO -0.00 -0.11 0.07 0.22 -0.34 0.00 0.00 178.44 178.28 1yar h TYR 66 N -0.14 0.11 -0.81 1.25 5.03 -0.64 -0.19 116.97 121.59 1yar h TYR 66 Ca 0.01 0.03 0.07 0.00 2.58 0.00 0.00 58.73 61.42 1yar h TYR 66 Cb 0.15 0.01 -0.06 0.00 1.55 0.00 0.00 36.73 38.38 1yar h TYR 66 CO -0.12 -0.00 0.48 -0.09 -1.32 0.00 0.00 178.16 177.11 1yar h ARG 67 N 0.19 0.84 -0.39 1.82 2.43 -1.04 0.18 114.38 118.42 1yar h ARG 67 Ca 0.20 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.18 1yar h ARG 67 Cb 0.24 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1yar h ARG 67 CO -0.27 0.55 -0.31 -0.07 -1.51 0.00 0.00 179.97 178.37 1yar h LEU 68 N 0.86 0.88 -0.17 3.80 3.38 -0.64 -0.01 115.31 123.42 1yar h LEU 68 Ca 0.36 -0.36 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1yar h LEU 68 Cb 0.22 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1yar h LEU 68 CO -0.19 1.12 -0.51 1.56 0.09 0.00 0.00 178.44 180.51 1yar h GLN 69 N 0.71 0.65 0.00 1.13 4.20 -0.71 -3.35 115.11 117.75 1yar h GLN 69 Ca 0.08 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1yar h GLN 69 Cb 0.86 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.72 1yar h GLN 69 CO 0.08 1.09 -1.07 0.54 -0.67 0.00 0.00 178.83 178.79 1yar n ARG 70 N -4.16 0.42 -1.18 1.46 3.00 0.62 -4.96 116.66 111.86 1yar n ARG 70 Ca -0.07 0.03 -0.06 0.00 -0.01 0.00 0.00 57.85 57.74 1yar n ARG 70 Cb 0.60 -1.67 -0.03 0.00 0.00 0.00 0.00 32.46 31.37 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 -2.23 -1.34 -3.97 5.56 1.74 -0.02 -4.97 116.66 111.43 1yar n ARG 71 Ca 0.01 0.64 -0.08 0.00 -0.77 0.00 0.00 57.85 57.65 1yar n ARG 71 Cb 0.49 -4.78 -0.09 0.00 -1.02 0.00 0.00 32.46 27.05 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 -1.77 0.17 0.40 1.55 -7.23 -1.23 -5.05 120.40 107.23 1yar s VAL 72 Ca 0.00 -1.36 -0.26 0.00 -1.81 0.00 0.00 61.98 58.55 1yar s VAL 72 Cb 0.00 -1.22 -0.09 0.00 0.56 0.00 0.00 36.38 35.64 1yar s VAL 72 CO 0.00 -0.75 1.27 0.20 -0.31 0.00 0.00 175.10 175.51 1yar s ASN 73 N -2.59 6.38 0.11 4.85 -0.87 -1.26 -4.08 114.94 117.47 1yar s ASN 73 Ca 0.02 2.59 -0.33 0.00 -1.57 0.00 0.00 52.86 53.56 1yar s ASN 73 Cb 0.03 -2.63 -0.13 0.00 -0.02 0.00 0.00 41.25 38.50 1yar s ASN 73 CO -0.08 -0.80 1.70 0.80 -2.57 0.00 0.00 177.10 176.15 1yar n MET 74 N 0.16 2.31 -1.60 -0.60 0.00 -1.26 -4.95 117.12 111.18 1yar n MET 74 Ca 0.04 0.84 -0.40 0.00 -0.00 0.00 0.00 57.70 58.17 1yar n MET 74 Cb 0.44 -2.65 0.02 0.00 0.00 0.00 0.00 33.22 31.03 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 4.51 1.18 -0.27 2.12 -0.02 -1.26 -4.77 135.00 136.49 1yar n PRO 75 Ca 0.18 0.43 -0.03 0.00 -2.02 0.00 0.00 63.50 62.06 1yar n PRO 75 Cb 0.31 -2.02 0.09 0.00 -0.02 0.00 0.00 33.50 31.85 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 1.21 1.11 0.00 4.25 1.08 -1.92 -0.06 117.51 123.19 1yar h ILE 76 Ca -0.45 -0.32 -0.04 0.00 -0.39 0.00 0.00 64.86 63.66 1yar h ILE 76 Cb 1.35 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 1yar h ILE 76 CO 0.55 0.17 -0.19 -0.08 -0.69 0.00 0.00 178.15 177.91 1yar h GLU 77 N 0.93 0.00 -0.51 2.37 4.81 -1.99 -2.01 114.58 118.18 1yar h GLU 77 Ca 0.30 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.41 1yar h GLU 77 Cb 0.01 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1yar h GLU 77 CO -0.11 0.19 -0.15 0.00 -0.73 0.00 0.00 179.01 178.21 1yar h ALA 78 N 1.81 0.71 -0.17 2.92 0.00 -1.40 -0.06 119.26 123.07 1yar h ALA 78 Ca -0.00 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.56 1yar h ALA 78 Cb 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1yar h ALA 78 CO 0.02 0.65 0.03 0.28 0.00 0.00 0.00 179.25 180.24 1yar h VAL 79 N 0.87 0.92 -0.73 0.00 2.07 -0.75 0.49 116.25 119.13 1yar h VAL 79 Ca 0.13 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 1yar h VAL 79 Cb 0.72 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1yar h VAL 79 CO 0.06 0.02 0.29 0.00 0.02 0.00 0.00 177.57 177.95 1yar h ALA 80 N 1.12 1.14 -0.40 1.67 0.00 -1.29 -1.41 119.26 120.09 1yar h ALA 80 Ca 0.08 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1yar h ALA 80 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1yar h ALA 80 CO -0.10 0.62 -0.02 1.15 0.00 0.00 0.00 179.25 180.89 1yar h THR 81 N 1.06 1.26 -0.08 0.00 2.02 -0.62 -0.05 112.91 116.50 1yar h THR 81 Ca 0.24 -1.06 0.03 0.00 0.77 0.00 0.00 66.41 66.40 1yar h THR 81 Cb 0.20 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1yar h THR 81 CO -0.02 0.36 -0.11 0.25 0.37 0.00 0.00 175.52 176.37 1yar h LEU 82 N 0.54 -0.32 -0.83 2.58 5.85 -0.70 -1.07 115.31 121.36 1yar h LEU 82 Ca 0.11 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.91 1yar h LEU 82 Cb 0.51 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 1yar h LEU 82 CO 0.03 -0.14 0.54 -0.07 -0.34 0.00 0.00 178.44 178.45 1yar h LEU 83 N -0.14 0.91 -0.23 2.25 3.38 -1.12 -1.57 115.31 118.78 1yar h LEU 83 Ca 0.07 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1yar h LEU 83 Cb 0.24 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1yar h LEU 83 CO -0.17 0.64 -0.08 -1.28 0.09 0.00 0.00 178.44 177.65 1yar h SER 84 N 1.07 -0.27 -0.05 -0.43 0.87 -0.66 -0.21 113.55 113.87 1yar h SER 84 Ca 0.32 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 1yar h SER 84 Cb -0.05 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1yar h SER 84 CO -0.09 -0.10 0.02 0.78 -0.53 0.00 0.00 176.83 176.91 1yar h ASN 85 N -0.03 0.03 -0.13 6.23 2.35 -0.98 -0.52 115.58 122.54 1yar h ASN 85 Ca 0.12 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1yar h ASN 85 Cb 0.20 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1yar h ASN 85 CO -0.25 0.03 0.07 0.24 -1.65 0.00 0.00 177.43 175.86 1yar h MET 86 N 0.05 0.14 -0.23 0.81 2.86 -1.04 -1.15 114.93 116.38 1yar h MET 86 Ca 0.02 -0.01 -0.20 0.00 -2.06 0.00 0.00 59.70 57.45 1yar h MET 86 Cb 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1yar h MET 86 CO -0.01 0.09 -0.65 -0.07 1.06 0.00 0.00 176.91 177.33 1yar h LEU 87 N 0.14 0.95 -0.89 1.22 4.07 -1.02 -3.09 115.31 116.69 1yar h LEU 87 Ca 0.05 -0.56 -0.09 0.00 0.08 0.00 0.00 57.88 57.37 1yar h LEU 87 Cb 0.00 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.45 1yar h LEU 87 CO -0.03 1.36 -0.11 -1.13 -1.08 0.00 0.00 178.44 177.44 1yar h ASN 88 N 0.61 0.68 -0.85 -0.43 -0.73 -0.98 -2.83 115.58 111.05 1yar h ASN 88 Ca -0.01 -0.20 0.15 0.00 1.87 0.00 0.00 56.30 58.11 1yar h ASN 88 Cb 1.26 -0.18 -0.06 0.00 0.27 0.00 0.00 38.32 39.60 1yar h ASN 88 CO 0.14 0.83 0.55 1.56 -0.37 0.00 0.00 177.43 180.14 1yar h GLN 89 N 0.64 0.55 -0.50 6.67 4.20 -1.12 -1.27 115.11 124.28 1yar h GLN 89 Ca 0.11 -0.03 -0.24 0.00 0.06 0.00 0.00 58.65 58.55 1yar h GLN 89 Cb 0.56 -0.12 -0.14 0.00 0.30 0.00 0.00 27.48 28.08 1yar h GLN 89 CO 0.03 0.37 0.10 1.33 -0.67 0.00 0.00 178.83 179.99 1yar n VAL 90 N -4.53 2.69 -0.34 -0.54 0.24 -1.10 -4.79 118.33 109.95 1yar n VAL 90 Ca 0.17 -2.44 0.22 0.00 -2.04 0.00 0.00 64.34 60.25 1yar n VAL 90 Cb 0.52 -0.35 0.47 0.00 -1.47 0.00 0.00 33.84 33.01 1yar n VAL 90 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1yar h LYS 91 N 1.17 0.43 0.00 7.34 3.64 -0.99 0.39 116.57 128.55 1yar h LYS 91 Ca 0.29 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1yar h LYS 91 Cb 1.93 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.65 1yar h LYS 91 CO 0.54 0.28 -0.49 0.66 -2.27 0.00 0.00 179.45 178.18 1yar n TYR 92 N -4.76 0.46 -3.19 1.91 4.02 -1.26 -4.04 117.16 110.30 1yar n TYR 92 Ca 0.27 0.13 -0.24 0.00 -0.01 0.00 0.00 57.90 58.05 1yar n TYR 92 Cb 0.87 -0.60 -0.06 0.00 -0.02 0.00 0.00 39.34 39.53 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 -1.97 1.81 -2.25 -0.72 2.81 0.06 -5.14 117.12 111.73 1yar n MET 93 Ca 0.04 -4.00 -0.28 0.00 -1.81 0.00 0.00 57.70 51.65 1yar n MET 93 Cb 0.41 -1.83 0.03 0.00 -0.71 0.00 0.00 33.22 31.12 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 -2.34 3.04 -0.25 0.03 0.04 -0.78 -4.86 135.00 129.88 1yar s PRO 94 Ca 0.41 0.21 -0.29 0.00 0.04 0.00 0.00 61.00 61.36 1yar s PRO 94 Cb 0.23 -2.20 -0.00 0.00 0.04 0.00 0.00 34.50 32.57 1yar s PRO 94 CO -0.08 -0.71 1.30 0.71 0.04 0.00 0.00 177.00 178.25 1yar s TYR 95 N -3.07 2.72 -1.45 0.56 1.51 -1.26 -4.95 117.35 111.41 1yar s TYR 95 Ca 0.54 0.91 -0.09 0.00 -1.01 0.00 0.00 57.07 57.42 1yar s TYR 95 Cb -0.11 -3.77 0.04 0.00 -0.11 0.00 0.00 41.96 38.01 1yar s TYR 95 CO 0.48 -1.74 2.50 -1.33 -1.11 0.00 0.00 175.55 174.35 1yar n MET 96 N 7.08 3.87 -4.31 -0.62 2.81 -1.26 -4.61 117.12 120.09 1yar n MET 96 Ca 0.15 -2.89 -0.16 0.00 -1.81 0.00 0.00 57.70 52.99 1yar n MET 96 Cb 0.46 -2.83 -0.10 0.00 -0.71 0.00 0.00 33.22 30.04 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 0.92 1.24 -0.04 2.03 -7.23 -1.26 -1.16 120.40 114.91 1yar s VAL 97 Ca 0.57 -2.08 0.06 0.00 -1.81 0.00 0.00 61.98 58.71 1yar s VAL 97 Cb 0.16 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.99 1yar s VAL 97 CO -0.07 -0.53 -0.21 -1.10 -0.31 0.00 0.00 175.10 172.88 1yar s GLN 98 N -3.77 1.98 -0.00 4.82 -0.21 -0.16 -2.92 119.66 119.40 1yar s GLN 98 Ca 0.23 -0.74 0.06 0.00 0.02 0.00 0.00 55.36 54.93 1yar s GLN 98 Cb 0.03 -1.76 -0.02 0.00 1.00 0.00 0.00 33.01 32.27 1yar s GLN 98 CO 0.05 0.35 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.87 1yar s LEU 99 N -0.19 2.06 -0.10 2.90 1.43 -0.37 -1.71 118.68 122.70 1yar s LEU 99 Ca 0.00 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1yar s LEU 99 Cb -0.11 -0.96 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 1yar s LEU 99 CO 0.02 0.22 -0.08 -0.76 0.23 0.00 0.00 176.35 175.97 1yar s LEU 100 N -0.57 3.05 -0.13 1.79 1.43 -1.01 -0.81 118.68 122.43 1yar s LEU 100 Ca 0.07 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 1yar s LEU 100 Cb -0.08 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.48 1yar s LEU 100 CO -0.00 0.28 -0.22 -0.69 0.23 0.00 0.00 176.35 175.95 1yar s VAL 101 N -0.33 2.04 0.03 -1.59 1.01 0.23 -1.61 120.40 120.18 1yar s VAL 101 Ca 0.04 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1yar s VAL 101 Cb -0.13 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1yar s VAL 101 CO 0.02 0.55 -0.09 -0.83 0.00 0.00 0.00 175.10 174.75 1yar s GLY 102 N 0.76 0.56 0.00 4.51 0.00 -0.29 -0.45 107.32 112.41 1yar s GLY 102 Ca -0.08 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 43.95 1yar s GLY 102 CO -0.01 -0.70 0.00 0.61 0.00 0.00 0.00 173.10 173.00 1yar n GLY 103 N 1.87 -1.31 3.13 0.20 0.00 -0.56 -0.08 105.19 108.43 1yar n GLY 103 Ca -0.19 -0.95 -0.31 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 -2.56 1.81 0.00 -0.61 -1.09 -0.68 -1.14 121.20 116.93 1yar s ILE 104 Ca 0.00 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 1yar s ILE 104 Cb 0.00 -1.62 0.00 0.00 -1.58 0.00 0.00 42.46 39.26 1yar s ILE 104 CO 0.00 0.50 0.00 -0.90 -1.23 0.00 0.00 174.94 173.31 1yar n ASP 105 N 4.06 0.00 -0.01 3.58 5.68 -1.26 -4.79 116.55 123.81 1yar n ASP 105 Ca -0.20 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.23 1yar n ASP 105 Cb 0.52 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 41.01 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 -3.52 2.12 -2.24 -1.26 -4.93 114.28 104.46 1yar n THR 106 Ca 0.00 -0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1yar n THR 106 Cb 0.00 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 67.96 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 -2.95 -1.54 0.51 6.98 0.00 -1.26 -5.17 121.76 118.34 1yar s ALA 107 Ca 0.15 0.36 -0.19 0.00 0.00 0.00 0.00 51.96 52.27 1yar s ALA 107 Cb 0.19 0.85 -0.07 0.00 0.00 0.00 0.00 23.12 24.09 1yar s ALA 107 CO 0.57 -0.82 1.06 -2.14 0.00 0.00 0.00 175.76 174.43 1yar s PRO 108 N -3.74 3.64 -0.13 0.00 0.02 -1.26 -4.38 135.00 129.15 1yar s PRO 108 Ca 0.03 1.39 -0.15 0.00 0.02 0.00 0.00 61.00 62.29 1yar s PRO 108 Cb -0.02 -2.07 0.04 0.00 0.02 0.00 0.00 34.50 32.47 1yar s PRO 108 CO -0.09 -0.57 0.40 -1.01 -0.33 0.00 0.00 177.00 175.41 1yar s HIS 109 N -2.01 -0.42 -0.07 6.54 3.76 -0.30 -4.99 115.29 117.81 1yar s HIS 109 Ca 0.68 0.99 0.02 0.00 -0.15 0.00 0.00 55.06 56.60 1yar s HIS 109 Cb -0.18 0.15 0.02 0.00 1.11 0.00 0.00 32.58 33.68 1yar s HIS 109 CO 0.24 -0.25 -0.11 0.08 -0.85 0.00 0.00 174.74 173.85 1yar s VAL 110 N -0.01 1.03 -0.02 -0.90 1.01 -1.25 -1.49 120.40 118.76 1yar s VAL 110 Ca -0.02 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.63 1yar s VAL 110 Cb -0.03 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1yar s VAL 110 CO 0.01 0.34 -0.25 -0.36 0.00 0.00 0.00 175.10 174.84 1yar s PHE 111 N 0.81 2.37 -0.11 5.22 0.40 0.41 -1.19 117.98 125.89 1yar s PHE 111 Ca -0.12 -0.43 -0.04 0.00 -0.60 0.00 0.00 56.93 55.75 1yar s PHE 111 Cb -0.15 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.83 1yar s PHE 111 CO 0.02 -0.03 0.03 -1.12 0.70 0.00 0.00 175.22 174.83 1yar s SER 112 N -0.60 5.48 -0.06 1.36 0.01 -0.26 -0.60 113.70 119.03 1yar s SER 112 Ca 0.10 0.17 0.02 0.00 1.31 0.00 0.00 55.95 57.55 1yar s SER 112 Cb -0.10 -1.69 0.01 0.00 0.21 0.00 0.00 66.02 64.45 1yar s SER 112 CO -0.01 0.33 -0.10 -0.63 0.41 0.00 0.00 173.24 173.24 1yar s ILE 113 N -0.60 0.98 0.52 1.44 1.09 0.01 -1.41 121.20 123.23 1yar s ILE 113 Ca 0.10 -0.39 0.09 0.00 -1.10 0.00 0.00 60.65 59.35 1yar s ILE 113 Cb -0.12 -0.91 0.06 0.00 -1.06 0.00 0.00 42.46 40.43 1yar s ILE 113 CO 0.02 0.32 0.69 1.51 -0.10 0.00 0.00 174.94 177.38 1yar s ASP 114 N 0.69 5.23 0.00 3.58 1.47 -0.02 -1.24 116.67 126.39 1yar s ASP 114 Ca -0.13 -0.75 0.12 0.00 1.18 0.00 0.00 52.55 52.97 1yar s ASP 114 Cb -0.15 -0.01 0.53 0.00 -0.34 0.00 0.00 42.92 42.95 1yar s ASP 114 CO 0.03 -1.13 1.39 0.00 0.68 0.00 0.00 175.17 176.13 1yar n ALA 115 N -2.07 1.57 -0.31 2.11 0.00 -1.15 -0.90 120.51 119.75 1yar n ALA 115 Ca 0.12 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.62 1yar n ALA 115 Cb 0.61 -1.20 0.29 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.49 2.34 -1.07 0.00 0.00 -1.26 -4.62 120.51 114.41 1yar n ALA 116 Ca 0.03 -1.26 -0.02 0.00 0.00 0.00 0.00 53.44 52.18 1yar n ALA 116 Cb 0.14 -0.83 -0.01 0.00 0.00 0.00 0.00 19.45 18.75 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 1.44 0.58 3.69 0.00 0.00 -0.08 -3.63 105.19 107.18 1yar n GLY 117 Ca 0.22 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.74 2.03 -0.08 -0.02 0.00 -1.26 -4.53 107.32 100.71 1yar s GLY 118 Ca 0.00 0.80 0.01 0.00 0.00 0.00 0.00 44.72 45.53 1yar s GLY 118 CO 0.00 2.33 -0.09 -0.45 0.00 0.00 0.00 173.10 174.90 1yar s SER 119 N 1.58 1.80 -0.02 1.64 0.15 -1.26 -0.84 113.70 116.75 1yar s SER 119 Ca 0.60 -0.26 0.02 0.00 0.70 0.00 0.00 55.95 57.01 1yar s SER 119 Cb -0.29 -0.76 0.01 0.00 -1.71 0.00 0.00 66.02 63.27 1yar s SER 119 CO 0.26 -0.05 -0.05 -0.69 1.20 0.00 0.00 173.24 173.90 1yar s VAL 120 N 1.18 0.51 0.25 4.45 1.01 -0.50 -4.97 120.40 122.34 1yar s VAL 120 Ca -0.05 -0.19 -0.25 0.00 0.00 0.00 0.00 61.98 61.49 1yar s VAL 120 Cb -0.14 -0.49 -0.09 0.00 0.00 0.00 0.00 36.38 35.66 1yar s VAL 120 CO -0.02 0.19 0.86 -0.70 0.00 0.00 0.00 175.10 175.42 1yar s GLU 121 N 0.42 4.54 0.14 2.72 2.12 -1.26 -1.10 118.70 126.27 1yar s GLU 121 Ca -0.05 1.20 -0.10 0.00 0.36 0.00 0.00 54.97 56.38 1yar s GLU 121 Cb -0.09 -2.98 -0.00 0.00 0.26 0.00 0.00 34.13 31.32 1yar s GLU 121 CO -0.00 0.40 0.28 0.34 -0.54 0.00 0.00 175.26 175.74 1yar s ASP 122 N -1.47 0.02 0.25 -1.70 -1.08 -0.33 -4.98 116.67 107.38 1yar s ASP 122 Ca 0.44 -0.75 0.11 0.00 -0.52 0.00 0.00 52.55 51.83 1yar s ASP 122 Cb -0.20 0.42 0.24 0.00 -1.46 0.00 0.00 42.92 41.93 1yar s ASP 122 CO 0.25 -0.86 1.54 0.16 0.52 0.00 0.00 175.17 176.78 1yar h ILE 123 N 2.56 1.42 -3.67 4.11 3.07 -1.95 -3.34 117.51 119.73 1yar h ILE 123 Ca -0.32 -2.37 -0.07 0.00 1.55 0.00 0.00 64.86 63.64 1yar h ILE 123 Cb 1.22 2.30 -0.13 0.00 -0.27 0.00 0.00 36.82 39.95 1yar h ILE 123 CO 0.49 0.66 -0.23 -0.72 -1.05 0.00 0.00 178.15 177.31 1yar s TYR 124 N -3.37 0.10 0.14 0.16 -0.85 -1.26 -0.60 117.35 111.68 1yar s TYR 124 Ca -0.00 -0.47 -0.23 0.00 -0.52 0.00 0.00 57.07 55.84 1yar s TYR 124 Cb 0.12 0.07 0.07 0.00 0.38 0.00 0.00 41.96 42.60 1yar s TYR 124 CO 0.77 -0.68 0.60 0.00 -1.52 0.00 0.00 175.55 174.72 1yar s ALA 125 N -3.88 -1.59 0.00 9.51 0.00 0.02 -5.00 121.76 120.82 1yar s ALA 125 Ca 0.08 0.53 -0.06 0.00 0.00 0.00 0.00 51.96 52.51 1yar s ALA 125 Cb 0.03 0.82 -0.00 0.00 0.00 0.00 0.00 23.12 23.97 1yar s ALA 125 CO -0.07 -0.74 0.12 0.45 0.00 0.00 0.00 175.76 175.52 1yar s SER 126 N -2.65 0.04 0.15 0.00 0.15 -1.26 -1.17 113.70 108.96 1yar s SER 126 Ca 0.00 -0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.45 1yar s SER 126 Cb -0.01 0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.46 1yar s SER 126 CO -0.11 -0.35 0.00 0.42 1.20 0.00 0.00 173.24 174.40 1yar s THR 127 N -1.32 0.56 0.00 6.45 -4.23 -0.60 -4.90 115.64 111.60 1yar s THR 127 Ca -0.14 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 1yar s THR 127 Cb -0.08 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.75 1yar s THR 127 CO 0.01 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.15 1yar n GLY 128 N -0.17 0.89 0.33 3.99 0.00 -1.26 -1.55 105.19 107.42 1yar n GLY 128 Ca -0.07 -1.91 0.16 0.00 0.00 0.00 0.00 46.02 44.20 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 0.61 1.61 4.64 -1.61 -1.32 113.55 117.48 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 -1.47 -1.21 0.37 -0.77 0.00 -0.09 -4.50 105.19 97.52 1yar n GLY 130 Ca 0.02 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 0.22 0.79 -0.62 1.61 4.64 -1.38 -2.73 113.55 116.07 1yar h SER 131 Ca 0.00 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1yar h SER 131 Cb 0.45 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 1yar h SER 131 CO 0.00 0.46 0.35 -0.65 -0.87 0.00 0.00 176.83 176.12 1yar h PRO 132 N 0.87 0.88 -0.30 4.77 0.11 -1.82 0.14 132.00 136.65 1yar h PRO 132 Ca 0.42 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 66.38 1yar h PRO 132 Cb 0.43 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1yar h PRO 132 CO -0.18 0.65 -0.01 0.74 -0.21 0.00 0.00 178.00 178.99 1yar h PHE 133 N 0.89 0.59 -0.42 0.65 0.04 -1.82 -1.51 116.94 115.36 1yar h PHE 133 Ca 0.23 -0.11 0.06 0.00 2.80 0.00 0.00 57.97 60.95 1yar h PHE 133 Cb 0.02 -0.15 -0.05 0.00 2.20 0.00 0.00 35.95 37.96 1yar h PHE 133 CO 0.01 0.68 0.10 0.28 -0.60 0.00 0.00 178.31 178.78 1yar h VAL 134 N 0.33 0.81 -0.55 -0.55 2.07 -1.24 -2.43 116.25 114.69 1yar h VAL 134 Ca 0.08 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1yar h VAL 134 Cb 0.45 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1yar h VAL 134 CO 0.02 0.04 0.35 1.88 0.02 0.00 0.00 177.57 179.88 1yar h TYR 135 N 0.24 0.70 -0.05 1.57 0.05 -0.43 0.42 116.97 119.48 1yar h TYR 135 Ca 0.20 0.01 0.02 0.00 0.05 0.00 0.00 58.73 59.01 1yar h TYR 135 Cb 0.23 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 1yar h TYR 135 CO -0.19 0.45 -0.05 0.78 -1.05 0.00 0.00 178.16 178.11 1yar h GLY 136 N 0.77 -0.00 0.95 3.88 0.00 -0.82 0.03 103.07 107.87 1yar h GLY 136 Ca 0.20 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 1yar h GLY 136 CO -0.04 -0.06 0.18 -2.08 0.00 0.00 0.00 176.54 174.54 1yar h VAL 137 N -0.07 1.16 -0.50 4.60 2.07 -0.94 -2.33 116.25 120.26 1yar h VAL 137 Ca 0.04 -0.47 -0.12 0.00 0.82 0.00 0.00 66.70 66.97 1yar h VAL 137 Cb 0.12 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1yar h VAL 137 CO -0.09 0.17 -0.17 -0.07 0.02 0.00 0.00 177.57 177.43 1yar h LEU 138 N 0.46 1.01 -0.86 2.57 3.38 -0.87 0.17 115.31 121.16 1yar h LEU 138 Ca 0.13 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.76 1yar h LEU 138 Cb 0.11 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1yar h LEU 138 CO -0.02 1.16 0.55 -0.33 0.09 0.00 0.00 178.44 179.89 1yar h GLU 139 N 0.85 1.02 0.08 1.13 4.39 -0.86 -0.35 114.58 120.83 1yar h GLU 139 Ca 0.12 -0.06 -0.26 0.00 0.34 0.00 0.00 59.36 59.50 1yar h GLU 139 Cb 0.75 -0.23 0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1yar h GLU 139 CO 0.06 0.67 -1.12 1.03 -1.16 0.00 0.00 179.01 178.49 1yar h SER 140 N 1.05 0.53 0.00 1.42 0.87 -1.05 -3.41 113.55 112.96 1yar h SER 140 Ca 0.35 -0.50 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 1yar h SER 140 Cb 0.04 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1yar h SER 140 CO -0.13 1.34 -1.18 0.00 -0.53 0.00 0.00 176.83 176.33 1yar n GLN 141 N -3.66 1.20 -1.87 2.24 6.02 0.55 -5.03 117.38 116.84 1yar n GLN 141 Ca -0.09 -0.02 -0.41 0.00 -0.01 0.00 0.00 57.00 56.47 1yar n GLN 141 Cb 0.94 -1.08 -0.01 0.00 1.02 0.00 0.00 30.24 31.10 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 -2.19 2.78 -0.03 1.08 5.04 -0.16 -5.02 117.35 118.86 1yar s TYR 142 Ca -0.01 1.01 0.02 0.00 -2.44 0.00 0.00 57.07 55.64 1yar s TYR 142 Cb 0.02 -3.97 0.01 0.00 0.35 0.00 0.00 41.96 38.37 1yar s TYR 142 CO 0.14 -3.05 -0.06 0.45 -1.34 0.00 0.00 175.55 171.69 1yar s SER 143 N 0.18 0.90 0.59 4.32 0.15 -1.26 -4.98 113.70 113.60 1yar s SER 143 Ca 0.58 -0.13 0.29 0.00 0.70 0.00 0.00 55.95 57.39 1yar s SER 143 Cb -0.45 -0.31 1.56 0.00 -1.71 0.00 0.00 66.02 65.11 1yar s SER 143 CO 0.52 0.01 1.98 -0.33 1.20 0.00 0.00 173.24 176.61 1yar h GLU 144 N 6.66 0.00 -0.23 5.44 5.08 -1.95 -2.10 114.58 127.48 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 0.49 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.13 1yar n LYS 145 N -3.69 1.76 -2.04 2.33 5.02 -1.26 -4.37 118.16 115.90 1yar n LYS 145 Ca 0.05 -1.16 -0.38 0.00 -2.02 0.00 0.00 58.31 54.80 1yar n LYS 145 Cb 0.52 -1.35 0.01 0.00 -0.02 0.00 0.00 35.03 34.18 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 -1.70 3.59 0.77 1.97 -1.94 -0.79 -5.03 119.30 116.17 1yar s MET 146 Ca 0.29 2.03 -0.11 0.00 -1.71 0.00 0.00 55.69 56.19 1yar s MET 146 Cb 0.16 -2.44 0.05 0.00 2.01 0.00 0.00 34.83 34.61 1yar s MET 146 CO 0.23 -0.76 1.10 0.95 -0.01 0.00 0.00 175.02 176.52 1yar s THR 147 N -1.39 3.15 0.17 2.05 -4.23 -1.26 -4.69 115.64 109.44 1yar s THR 147 Ca 0.65 0.38 -0.15 0.00 -1.18 0.00 0.00 61.69 61.38 1yar s THR 147 Cb -0.35 -3.20 0.06 0.00 1.34 0.00 0.00 72.50 70.35 1yar s THR 147 CO 0.43 -0.49 1.73 0.58 -0.54 0.00 0.00 174.62 176.32 1yar h VAL 148 N -0.97 0.79 -0.75 2.29 2.07 -1.98 0.85 116.25 118.56 1yar h VAL 148 Ca -0.46 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.08 1yar h VAL 148 Cb 1.27 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.54 1yar h VAL 148 CO 0.61 0.04 0.40 0.44 0.02 0.00 0.00 177.57 179.07 1yar h ASP 149 N 0.21 0.55 -0.58 0.57 3.32 -1.99 0.16 116.42 118.66 1yar h ASP 149 Ca 0.19 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.21 1yar h ASP 149 Cb 0.23 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1yar h ASP 149 CO -0.25 0.32 0.03 -0.33 -1.72 0.00 0.00 179.24 177.28 1yar h GLU 150 N 0.68 1.00 -0.63 3.56 5.08 -1.83 -2.05 114.58 120.39 1yar h GLU 150 Ca 0.36 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1yar h GLU 150 Cb 0.35 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1yar h GLU 150 CO -0.25 0.98 0.20 0.78 -1.00 0.00 0.00 179.01 179.72 1yar h GLY 151 N 0.89 1.02 0.92 -3.84 0.00 0.08 -0.61 103.07 101.54 1yar h GLY 151 Ca 0.17 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 1yar h GLY 151 CO 0.02 0.54 0.06 -2.08 0.00 0.00 0.00 176.54 175.08 1yar h VAL 152 N 0.92 1.24 -0.91 4.60 2.07 -0.60 -2.05 116.25 121.52 1yar h VAL 152 Ca 0.21 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 1yar h VAL 152 Cb 0.26 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1yar h VAL 152 CO -0.01 0.28 0.50 0.44 0.02 0.00 0.00 177.57 178.81 1yar h ASP 153 N 0.45 1.13 -0.09 0.57 3.32 -1.17 -2.05 116.42 118.59 1yar h ASP 153 Ca 0.11 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.08 1yar h ASP 153 Cb 0.36 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1yar h ASP 153 CO 0.01 0.90 0.00 0.25 -1.72 0.00 0.00 179.24 178.68 1yar h LEU 154 N 1.27 -0.03 -0.95 1.55 5.85 -0.89 0.11 115.31 122.22 1yar h LEU 154 Ca 0.32 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.98 1yar h LEU 154 Cb 0.02 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1yar h LEU 154 CO -0.05 -0.00 -0.09 -0.37 -0.34 0.00 0.00 178.44 177.59 1yar h VAL 155 N 0.03 1.24 -0.32 1.05 -1.51 -1.26 0.13 116.25 115.62 1yar h VAL 155 Ca 0.04 -1.06 -0.02 0.00 -1.23 0.00 0.00 66.70 64.43 1yar h VAL 155 Cb 0.04 1.04 -0.01 0.00 -2.13 0.00 0.00 31.29 30.23 1yar h VAL 155 CO -0.07 0.36 0.13 0.40 -1.23 0.00 0.00 177.57 177.17 1yar h ILE 156 N 0.62 1.18 -0.76 7.19 2.04 -1.12 -0.15 117.51 126.51 1yar h ILE 156 Ca 0.11 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1yar h ILE 156 Cb 0.51 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1yar h ILE 156 CO 0.03 0.19 0.44 0.03 0.00 0.00 0.00 178.15 178.84 1yar h ARG 157 N 0.37 1.05 -0.07 2.37 3.08 -0.53 0.58 114.38 121.23 1yar h ARG 157 Ca 0.11 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1yar h ARG 157 Cb 0.17 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1yar h ARG 157 CO -0.01 0.75 0.00 0.00 -1.07 0.00 0.00 179.97 179.65 1yar h ALA 158 N 1.23 0.09 -0.34 0.04 0.00 -0.45 -0.95 119.26 118.88 1yar h ALA 158 Ca 0.27 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1yar h ALA 158 Cb -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1yar h ALA 158 CO -0.05 -0.24 -0.19 0.82 0.00 0.00 0.00 179.25 179.59 1yar h ILE 159 N -0.16 1.26 -0.69 0.00 2.04 -0.93 -1.60 117.51 117.43 1yar h ILE 159 Ca 0.02 -1.23 -0.00 0.00 1.00 0.00 0.00 64.86 64.64 1yar h ILE 159 Cb 0.33 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1yar h ILE 159 CO 0.00 0.41 0.43 0.28 0.00 0.00 0.00 178.15 179.27 1yar h SER 160 N 0.57 0.82 -0.72 1.72 0.02 -0.73 -0.53 113.55 114.69 1yar h SER 160 Ca 0.09 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1yar h SER 160 Cb 0.65 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 1yar h SER 160 CO 0.05 0.63 0.38 0.00 -1.14 0.00 0.00 176.83 176.75 1yar h ALA 161 N 1.23 0.93 -0.58 3.77 0.00 -0.86 -2.31 119.26 121.43 1yar h ALA 161 Ca 0.25 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1yar h ALA 161 Cb -0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1yar h ALA 161 CO -0.05 0.45 0.38 0.00 0.00 0.00 0.00 179.25 180.03 1yar h ALA 162 N 1.19 0.74 -0.11 0.00 0.00 -0.92 -2.59 119.26 117.57 1yar h ALA 162 Ca 0.25 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1yar h ALA 162 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1yar h ALA 162 CO -0.04 0.15 -0.05 0.87 0.00 0.00 0.00 179.25 180.19 1yar h LYS 163 N 0.77 0.16 0.00 0.00 1.57 -0.72 0.21 116.57 118.56 1yar h LYS 163 Ca 0.22 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1yar h LYS 163 Cb -0.07 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1yar h LYS 163 CO -0.06 0.22 -0.17 1.96 -0.57 0.00 0.00 179.45 180.84 1yar h GLN 164 N 0.16 0.00 0.00 3.15 1.08 -1.02 -3.34 115.11 115.13 1yar h GLN 164 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1yar h GLN 164 Cb 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1yar h GLN 164 CO 0.01 0.17 0.00 0.54 -0.95 0.00 0.00 178.83 178.60 1yar n ARG 165 N -3.48 4.65 -4.06 1.46 5.12 -0.57 -4.95 116.66 114.83 1yar n ARG 165 Ca -0.01 -0.05 -0.32 0.00 -1.93 0.00 0.00 57.85 55.54 1yar n ARG 165 Cb 0.33 -0.46 -0.15 0.00 -1.16 0.00 0.00 32.46 31.03 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 -0.68 4.51 0.31 0.55 2.15 0.64 -4.98 116.67 119.18 1yar s ASP 166 Ca 0.00 -1.51 0.25 0.00 0.43 0.00 0.00 52.55 51.72 1yar s ASP 166 Cb 0.00 -1.57 1.09 0.00 -0.30 0.00 0.00 42.92 42.14 1yar s ASP 166 CO 0.00 -0.22 1.76 0.77 -0.17 0.00 0.00 175.17 177.31 1yar h SER 167 N 7.75 0.00 -0.09 -0.34 4.64 -1.86 -1.28 113.55 122.38 1yar h SER 167 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 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 0.47 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.43 1yar n ALA 168 N -1.82 2.56 -2.41 5.18 0.00 -1.26 -4.81 120.51 117.94 1yar n ALA 168 Ca 0.01 -0.33 -0.30 0.00 0.00 0.00 0.00 53.44 52.83 1yar n ALA 168 Cb 0.21 -1.19 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.57 3.50 0.00 0.00 0.01 -0.48 -1.18 113.70 113.98 1yar s SER 169 Ca 0.30 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1yar s SER 169 Cb 0.15 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1yar s SER 169 CO 0.24 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.71 1yar n GLY 170 N 1.20 0.80 1.59 3.44 0.00 -1.26 -4.80 105.19 106.16 1yar n GLY 170 Ca -0.17 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.32 -2.68 3.77 -0.02 0.00 -1.26 -1.51 105.19 103.17 1yar n GLY 171 Ca 0.00 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.53 4.02 0.03 1.61 -2.45 -1.26 -4.66 119.30 116.05 1yar s MET 172 Ca 0.00 2.12 -0.24 0.00 -1.25 0.00 0.00 55.69 56.32 1yar s MET 172 Cb 0.00 -2.78 -0.05 0.00 1.25 0.00 0.00 34.83 33.25 1yar s MET 172 CO 0.00 -0.44 0.73 0.42 1.05 0.00 0.00 175.02 176.78 1yar s ILE 173 N -1.27 4.78 -0.16 10.11 1.01 -1.26 -3.90 121.20 130.51 1yar s ILE 173 Ca 0.56 1.54 -0.02 0.00 0.00 0.00 0.00 60.65 62.72 1yar s ILE 173 Cb -0.37 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.01 1yar s ILE 173 CO 0.48 0.37 -0.07 -0.62 0.00 0.00 0.00 174.94 175.10 1yar s ASP 174 N -0.05 4.37 -0.04 3.58 2.15 0.23 -4.98 116.67 121.93 1yar s ASP 174 Ca 0.37 -0.27 0.03 0.00 0.43 0.00 0.00 52.55 53.10 1yar s ASP 174 Cb -0.20 -1.71 0.01 0.00 -0.30 0.00 0.00 42.92 40.72 1yar s ASP 174 CO 0.21 0.12 -0.11 -0.69 -0.17 0.00 0.00 175.17 174.53 1yar s VAL 175 N 0.67 0.97 0.05 1.11 1.01 -1.26 -1.35 120.40 121.60 1yar s VAL 175 Ca -0.04 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.58 1yar s VAL 175 Cb -0.15 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1yar s VAL 175 CO 0.02 0.30 -0.22 0.00 0.00 0.00 0.00 175.10 175.21 1yar s ALA 176 N 0.30 1.84 -0.09 5.51 0.00 0.24 -0.30 121.76 129.26 1yar s ALA 176 Ca -0.06 -1.11 0.04 0.00 0.00 0.00 0.00 51.96 50.82 1yar s ALA 176 Cb -0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1yar s ALA 176 CO 0.01 0.41 -0.22 0.08 0.00 0.00 0.00 175.76 176.05 1yar s VAL 177 N -0.85 2.28 -0.18 0.00 1.01 0.25 -1.27 120.40 121.65 1yar s VAL 177 Ca 0.08 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1yar s VAL 177 Cb -0.09 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.43 1yar s VAL 177 CO 0.02 0.56 -0.18 -0.63 0.00 0.00 0.00 175.10 174.87 1yar s ILE 178 N 0.14 2.24 0.12 2.22 1.01 0.23 -0.45 121.20 126.70 1yar s ILE 178 Ca -0.11 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1yar s ILE 178 Cb -0.16 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 1yar s ILE 178 CO 0.06 0.53 -0.01 0.42 0.00 0.00 0.00 174.94 175.94 1yar s THR 179 N 1.19 0.43 0.07 2.92 -4.23 -0.64 -1.93 115.64 113.44 1yar s THR 179 Ca 0.02 -1.91 -0.22 0.00 -1.18 0.00 0.00 61.69 58.40 1yar s THR 179 Cb -0.14 -1.86 -0.13 0.00 1.34 0.00 0.00 72.50 71.71 1yar s THR 179 CO -0.09 -0.69 1.58 -0.09 -0.54 0.00 0.00 174.62 174.80 1yar h ARG 180 N 2.91 0.14 -0.07 3.99 9.65 -1.87 0.16 114.38 129.30 1yar h ARG 180 Ca -0.35 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.50 1yar h ARG 180 Cb 1.18 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.73 1yar h ARG 180 CO 0.63 0.28 0.03 -0.22 2.80 0.00 0.00 179.97 183.49 1yar h LYS 181 N -0.03 0.07 -0.00 0.20 3.64 -1.96 -3.32 116.57 115.17 1yar h LYS 181 Ca 0.03 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1yar h LYS 181 Cb 0.20 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1yar h LYS 181 CO -0.00 0.05 -0.51 -0.25 -2.27 0.00 0.00 179.45 176.46 1yar n ASP 182 N -5.06 1.05 0.00 4.20 8.00 -1.24 -5.10 116.55 118.40 1yar n ASP 182 Ca -0.06 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.42 1yar n ASP 182 Cb 0.04 0.77 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 1.23 -1.17 3.63 0.44 0.00 0.56 -4.65 105.19 105.23 1yar n GLY 183 Ca 0.04 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 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 3.23 -0.21 1.61 6.14 -1.21 -1.63 117.35 125.29 1yar s TYR 184 Ca 0.00 1.02 0.01 0.00 0.64 0.00 0.00 57.07 58.75 1yar s TYR 184 Cb 0.00 -3.26 0.05 0.00 0.42 0.00 0.00 41.96 39.17 1yar s TYR 184 CO 0.00 -0.55 -0.10 0.08 0.64 0.00 0.00 175.55 175.62 1yar s VAL 185 N 3.06 1.72 -0.15 3.14 1.01 0.40 -4.99 120.40 124.59 1yar s VAL 185 Ca 0.36 -1.10 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 1yar s VAL 185 Cb -0.14 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 1yar s VAL 185 CO 0.11 0.14 1.00 -1.58 0.00 0.00 0.00 175.10 174.77 1yar s GLN 186 N 1.35 4.36 0.30 2.72 0.74 -1.26 -0.58 119.66 127.29 1yar s GLN 186 Ca -0.02 1.35 -0.29 0.00 0.05 0.00 0.00 55.36 56.44 1yar s GLN 186 Cb -0.17 -3.58 -0.10 0.00 1.10 0.00 0.00 33.01 30.26 1yar s GLN 186 CO -0.08 -0.42 1.34 -0.51 -0.55 0.00 0.00 175.29 175.07 1yar s LEU 187 N 2.40 4.42 0.49 3.68 1.43 0.59 -4.98 118.68 126.72 1yar s LEU 187 Ca 0.46 2.65 -0.24 0.00 -1.03 0.00 0.00 54.13 55.98 1yar s LEU 187 Cb -0.17 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 42.34 1yar s LEU 187 CO 0.14 -0.57 1.39 -2.84 0.23 0.00 0.00 176.35 174.70 1yar s PRO 188 N -1.30 3.44 0.31 1.29 0.02 -1.26 -4.72 135.00 132.78 1yar s PRO 188 Ca 0.52 2.32 0.01 0.00 0.02 0.00 0.00 61.00 63.87 1yar s PRO 188 Cb -0.40 -2.47 0.54 0.00 0.02 0.00 0.00 34.50 32.19 1yar s PRO 188 CO 0.49 -0.98 1.92 1.15 -0.33 0.00 0.00 177.00 179.25 1yar h THR 189 N 1.90 1.08 0.00 0.99 2.02 -1.95 -1.94 112.91 115.01 1yar h THR 189 Ca -0.51 -0.35 -0.07 0.00 0.77 0.00 0.00 66.41 66.25 1yar h THR 189 Cb 1.28 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1yar h THR 189 CO 0.59 0.19 -0.35 -2.24 0.37 0.00 0.00 175.52 174.07 1yar h ASP 190 N 1.01 0.00 -0.43 4.18 3.04 -1.99 -0.70 116.42 121.54 1yar h ASP 190 Ca 0.37 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 54.03 1yar h ASP 190 Cb 0.17 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.45 1yar h ASP 190 CO -0.13 0.35 -0.25 -0.61 -2.04 0.00 0.00 179.24 176.57 1yar h GLN 191 N 0.00 0.95 -0.09 4.15 4.15 -1.73 -1.10 115.11 121.44 1yar h GLN 191 Ca -0.00 -0.42 -0.19 0.00 0.77 0.00 0.00 58.65 58.81 1yar h GLN 191 Cb 0.66 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.33 1yar h GLN 191 CO 0.05 1.08 -0.74 0.82 -1.93 0.00 0.00 178.83 178.11 1yar h ILE 192 N 0.81 1.36 -0.64 2.39 2.04 -1.21 -2.37 117.51 119.90 1yar h ILE 192 Ca 0.10 -2.10 -0.05 0.00 1.00 0.00 0.00 64.86 63.81 1yar h ILE 192 Cb 0.82 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.95 1yar h ILE 192 CO 0.07 0.64 0.21 -0.33 0.00 0.00 0.00 178.15 178.74 1yar h GLU 193 N 0.33 0.99 -0.39 2.37 5.08 -1.13 -0.98 114.58 120.85 1yar h GLU 193 Ca -0.03 -0.21 0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1yar h GLU 193 Cb 1.32 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 1yar h GLU 193 CO 0.13 0.87 0.13 1.03 -1.00 0.00 0.00 179.01 180.17 1yar h SER 194 N 0.92 0.14 -0.28 1.42 0.87 -1.10 -1.74 113.55 113.78 1yar h SER 194 Ca 0.21 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.72 1yar h SER 194 Cb 0.28 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 1yar h SER 194 CO -0.01 0.11 -0.15 0.03 -0.53 0.00 0.00 176.83 176.28 1yar h ARG 195 N 0.29 0.72 -0.44 2.24 3.08 -1.24 -0.85 114.38 118.17 1yar h ARG 195 Ca 0.18 -0.25 0.02 0.00 0.07 0.00 0.00 59.98 60.00 1yar h ARG 195 Cb 0.16 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1yar h ARG 195 CO -0.19 0.83 0.25 0.82 -1.07 0.00 0.00 179.97 180.61 1yar h ILE 196 N 0.64 1.02 -0.03 2.04 2.04 -0.86 0.15 117.51 122.51 1yar h ILE 196 Ca 0.10 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1yar h ILE 196 Cb 0.62 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1yar h ILE 196 CO 0.04 0.09 0.02 0.03 0.00 0.00 0.00 178.15 178.33 1yar h ARG 197 N 0.50 0.04 0.00 2.37 3.08 -1.04 -0.30 114.38 119.02 1yar h ARG 197 Ca 0.18 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.17 1yar h ARG 197 Cb 0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1yar h ARG 197 CO -0.10 0.09 -0.25 0.87 -1.07 0.00 0.00 179.97 179.51 1yar h LYS 198 N -0.03 0.00 -0.00 0.04 1.57 -0.90 -2.19 116.57 115.06 1yar h LYS 198 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1yar h LYS 198 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1yar h LYS 198 CO -0.00 0.25 -0.22 1.28 -0.57 0.00 0.00 179.45 180.19 1yar n LEU 199 N -4.14 0.43 -0.20 2.94 4.77 0.02 -4.94 117.00 115.88 1yar n LEU 199 Ca -0.02 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1yar n LEU 199 Cb 0.31 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1yar n LEU 199 CO 0.37 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1yar n GLY 200 N 1.41 0.73 1.89 -0.72 0.00 -0.82 -5.07 105.19 102.60 1yar n GLY 200 Ca 0.10 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.20 0.00 -4.24 0.99 4.77 -0.15 -5.04 117.00 113.13 1yar n LEU 201 Ca 0.00 -1.40 -0.13 0.00 -0.03 0.00 0.00 56.01 54.45 1yar n LEU 201 Cb 0.45 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 1yar n LEU 201 CO 0.00 -0.44 -0.34 0.27 -1.33 0.00 0.00 177.39 175.55 1yar s ILE 202 N -1.27 0.70 0.00 -0.08 -4.36 -1.26 -4.66 121.20 110.26 1yar s ILE 202 Ca 0.17 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.58 1yar s ILE 202 Cb -0.01 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.60 1yar s ILE 202 CO 0.11 -0.50 0.00 -0.11 0.24 0.00 0.00 174.94 174.68