#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 0.59 0.09 12.58 2.01 -1.26 -1.36 115.64 128.29 1yar s THR 2 Ca 0.00 -0.12 0.04 0.00 0.31 0.00 0.00 61.69 61.92 1yar s THR 2 Cb 0.00 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 1yar s THR 2 CO 0.00 0.25 -0.10 0.42 -0.69 0.00 0.00 174.62 174.50 1yar s THR 3 N 1.16 0.92 -0.03 -0.82 -4.23 -0.53 -2.39 115.64 109.73 1yar s THR 3 Ca -0.07 -1.63 -0.09 0.00 -1.18 0.00 0.00 61.69 58.72 1yar s THR 3 Cb -0.14 -1.34 0.01 0.00 1.34 0.00 0.00 72.50 72.37 1yar s THR 3 CO -0.01 -0.56 0.21 0.54 -0.54 0.00 0.00 174.62 174.25 1yar s VAL 4 N -2.44 0.05 -0.03 2.29 0.11 0.50 -1.74 120.40 119.15 1yar s VAL 4 Ca 0.05 -0.43 0.01 0.00 -2.93 0.00 0.00 61.98 58.68 1yar s VAL 4 Cb -0.03 -0.44 0.02 0.00 -1.53 0.00 0.00 36.38 34.40 1yar s VAL 4 CO -0.00 -0.23 -0.02 -0.83 -3.33 0.00 0.00 175.10 170.69 1yar s GLY 5 N -0.90 0.28 0.11 6.54 0.00 -0.10 -1.27 107.32 111.98 1yar s GLY 5 Ca -0.10 0.06 0.06 0.00 0.00 0.00 0.00 44.72 44.74 1yar s GLY 5 CO 0.02 0.41 -0.16 -0.26 0.00 0.00 0.00 173.10 173.12 1yar s ILE 6 N 0.77 1.40 0.07 0.90 -4.36 -0.27 -1.07 121.20 118.64 1yar s ILE 6 Ca -0.08 -1.63 0.03 0.00 -0.26 0.00 0.00 60.65 58.70 1yar s ILE 6 Cb -0.12 -1.48 -0.04 0.00 1.25 0.00 0.00 42.46 42.08 1yar s ILE 6 CO -0.01 -0.32 0.07 0.42 0.24 0.00 0.00 174.94 175.34 1yar s THR 7 N -1.82 4.47 0.28 8.37 -4.23 -0.07 -1.47 115.64 121.18 1yar s THR 7 Ca 0.07 -0.76 0.03 0.00 -1.18 0.00 0.00 61.69 59.85 1yar s THR 7 Cb -0.07 -3.14 -0.01 0.00 1.34 0.00 0.00 72.50 70.62 1yar s THR 7 CO 0.03 0.15 0.11 0.18 -0.54 0.00 0.00 174.62 174.55 1yar n LEU 8 N 0.55 0.00 -0.18 4.79 4.77 0.19 -4.93 117.00 122.19 1yar n LEU 8 Ca -0.09 -2.19 -0.02 0.00 -0.03 0.00 0.00 56.01 53.68 1yar n LEU 8 Cb 0.52 0.76 0.04 0.00 -2.33 0.00 0.00 43.42 42.41 1yar n LEU 8 CO 0.43 -0.34 0.75 0.07 -1.33 0.00 0.00 177.39 176.97 1yar h LYS 9 N 0.00 -0.01 -0.24 3.23 2.10 -1.84 -3.13 116.57 116.67 1yar h LYS 9 Ca -0.22 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.21 1yar h LYS 9 Cb 0.85 0.00 -0.33 0.00 -0.90 0.00 0.00 32.23 31.86 1yar h LYS 9 CO 0.34 -0.01 -0.93 -0.25 -2.00 0.00 0.00 179.45 176.61 1yar n ASP 10 N -5.39 1.90 -3.64 7.07 10.43 -1.26 -4.68 116.55 120.99 1yar n ASP 10 Ca 0.06 -2.64 -0.12 0.00 2.57 0.00 0.00 54.79 54.66 1yar n ASP 10 Cb 0.29 -0.40 -0.06 0.00 1.84 0.00 0.00 41.12 42.79 1yar n ASP 10 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1yar s ALA 11 N -2.29 -1.05 -0.04 2.24 0.00 -1.19 -4.52 121.76 114.91 1yar s ALA 11 Ca 0.35 0.29 0.05 0.00 0.00 0.00 0.00 51.96 52.66 1yar s ALA 11 Cb 0.37 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.91 1yar s ALA 11 CO -0.08 -0.50 -0.20 0.08 0.00 0.00 0.00 175.76 175.05 1yar s VAL 12 N -2.74 1.67 -0.10 0.00 1.01 -0.69 -0.64 120.40 118.92 1yar s VAL 12 Ca -0.04 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.11 1yar s VAL 12 Cb -0.00 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 1yar s VAL 12 CO -0.04 0.47 -0.22 -0.63 0.00 0.00 0.00 175.10 174.68 1yar s ILE 13 N -0.16 2.26 0.06 2.22 1.01 -0.54 0.08 121.20 126.12 1yar s ILE 13 Ca -0.01 -0.95 0.06 0.00 0.00 0.00 0.00 60.65 59.75 1yar s ILE 13 Cb -0.11 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 1yar s ILE 13 CO 0.02 0.56 -0.18 -0.04 0.00 0.00 0.00 174.94 175.30 1yar s MET 14 N 0.27 1.11 -0.06 2.79 -1.94 -0.03 -1.12 119.30 120.32 1yar s MET 14 Ca -0.15 -0.94 -0.23 0.00 -1.71 0.00 0.00 55.69 52.66 1yar s MET 14 Cb -0.17 -1.21 0.05 0.00 2.01 0.00 0.00 34.83 35.51 1yar s MET 14 CO 0.08 0.30 0.52 0.00 -0.01 0.00 0.00 175.02 175.90 1yar s ALA 15 N -0.96 -1.34 0.26 3.03 0.00 -0.40 -0.02 121.76 122.33 1yar s ALA 15 Ca 0.04 0.97 -0.01 0.00 0.00 0.00 0.00 51.96 52.96 1yar s ALA 15 Cb -0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 1yar s ALA 15 CO 0.02 -0.31 0.27 0.95 0.00 0.00 0.00 175.76 176.68 1yar s THR 16 N -1.06 0.00 0.00 0.00 -4.23 -0.43 -0.37 115.64 109.55 1yar s THR 16 Ca -0.11 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1yar s THR 16 Cb -0.02 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.34 1yar s THR 16 CO 0.07 0.00 0.00 -1.84 -0.54 0.00 0.00 174.62 172.31 1yar n GLU 17 N -0.40 2.97 0.00 3.99 -0.00 -1.00 -0.76 120.64 125.43 1yar n GLU 17 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.18 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 -0.09 0.12 -2.57 3.44 1.74 -0.54 -4.58 116.66 114.17 1yar n ARG 18 Ca 0.00 -0.34 -0.41 0.00 -0.77 0.00 0.00 57.85 56.33 1yar n ARG 18 Cb 0.00 -0.56 -0.04 0.00 -1.02 0.00 0.00 32.46 30.84 1yar n ARG 18 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1yar s ARG 19 N -0.06 4.62 -0.17 5.56 3.52 -0.89 -0.46 118.95 131.07 1yar s ARG 19 Ca 0.00 1.64 0.01 0.00 -0.13 0.00 0.00 55.73 57.25 1yar s ARG 19 Cb 0.00 -3.31 0.02 0.00 -1.56 0.00 0.00 34.95 30.10 1yar s ARG 19 CO 0.00 0.10 -0.18 0.08 -0.81 0.00 0.00 175.30 174.49 1yar s VAL 20 N -0.10 1.93 0.20 7.11 1.01 0.58 -4.73 120.40 126.40 1yar s VAL 20 Ca 0.49 -0.88 0.10 0.00 0.00 0.00 0.00 61.98 61.68 1yar s VAL 20 Cb -0.28 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1yar s VAL 20 CO 0.33 0.50 -0.12 0.42 0.00 0.00 0.00 175.10 176.23 1yar s THR 21 N 1.34 3.01 -0.28 3.92 -4.23 -1.26 -1.22 115.64 116.92 1yar s THR 21 Ca 0.04 -1.82 0.03 0.00 -1.18 0.00 0.00 61.69 58.77 1yar s THR 21 Cb -0.13 -2.50 0.07 0.00 1.34 0.00 0.00 72.50 71.28 1yar s THR 21 CO -0.12 -0.17 -0.06 -0.32 -0.54 0.00 0.00 174.62 173.42 1yar s MET 22 N -2.95 1.96 6.79 3.99 -2.45 -0.06 -4.90 119.30 121.67 1yar s MET 22 Ca 0.25 -1.47 0.00 0.00 -1.25 0.00 0.00 55.69 53.22 1yar s MET 22 Cb -0.08 -2.95 0.00 0.00 1.25 0.00 0.00 34.83 33.05 1yar s MET 22 CO 0.15 -0.68 0.00 0.39 1.05 0.00 0.00 175.02 175.92 1yar n GLU 23 N 4.40 0.00 0.00 4.11 4.71 -1.26 -1.54 120.64 131.06 1yar n GLU 23 Ca -0.09 0.00 0.13 0.00 -0.01 0.00 0.00 57.16 57.20 1yar n GLU 23 Cb 0.42 0.00 0.51 0.00 -1.01 0.00 0.00 31.44 31.36 1yar n GLU 23 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1yar n ASN 24 N 5.78 0.31 -4.62 1.62 0.23 -1.26 -4.84 115.26 112.48 1yar n ASN 24 Ca 0.00 -0.10 -0.43 0.00 -0.53 0.00 0.00 54.58 53.52 1yar n ASN 24 Cb 0.00 -0.13 -0.02 0.00 -2.08 0.00 0.00 39.78 37.54 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 -2.81 3.03 -0.77 -2.53 5.99 -0.59 -4.97 117.98 115.33 1yar s PHE 25 Ca 0.18 1.00 -0.25 0.00 0.00 0.00 0.00 56.93 57.86 1yar s PHE 25 Cb 0.19 -3.94 0.05 0.00 0.00 0.00 0.00 43.02 39.32 1yar s PHE 25 CO 0.56 -0.94 1.23 0.42 -0.00 0.00 0.00 175.22 176.49 1yar s ILE 26 N 3.91 3.92 -0.02 3.12 1.01 -1.26 -0.88 121.20 130.99 1yar s ILE 26 Ca 0.46 0.00 -0.20 0.00 0.00 0.00 0.00 60.65 60.91 1yar s ILE 26 Cb -0.10 -4.88 -0.31 0.00 0.01 0.00 0.00 42.46 37.17 1yar s ILE 26 CO 0.21 -1.77 0.96 0.24 0.00 0.00 0.00 174.94 174.58 1yar h MET 27 N 9.85 0.38 -4.24 2.79 2.86 -1.51 -3.46 114.93 121.61 1yar h MET 27 Ca -0.20 -0.60 -0.43 0.00 -2.06 0.00 0.00 59.70 56.42 1yar h MET 27 Cb 1.05 0.22 -0.33 0.00 0.06 0.00 0.00 31.60 32.59 1yar h MET 27 CO 1.27 1.27 -0.78 -1.01 1.06 0.00 0.00 176.91 178.72 1yar s HIS 28 N -2.61 0.90 -0.51 -0.22 3.76 -0.88 -5.01 115.29 110.72 1yar s HIS 28 Ca -0.12 -0.26 0.23 0.00 -0.15 0.00 0.00 55.06 54.76 1yar s HIS 28 Cb 0.02 -0.72 0.17 0.00 1.11 0.00 0.00 32.58 33.16 1yar s HIS 28 CO 0.86 -0.18 1.16 1.63 -0.85 0.00 0.00 174.74 177.36 1yar n LYS 29 N 3.80 0.38 -2.58 1.40 5.02 -1.26 -0.31 118.16 124.61 1yar n LYS 29 Ca -0.23 0.07 -0.17 0.00 -2.02 0.00 0.00 58.31 55.96 1yar n LYS 29 Cb 0.52 -1.70 0.02 0.00 -0.02 0.00 0.00 35.03 33.85 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 -2.23 2.89 -4.77 4.39 3.02 -1.23 -4.24 115.26 113.09 1yar n ASN 30 Ca 0.02 -3.16 -0.30 0.00 -0.03 0.00 0.00 54.58 51.11 1yar n ASN 30 Cb 0.47 -0.50 0.10 0.00 -0.61 0.00 0.00 39.78 39.24 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 -3.30 1.63 -0.12 7.41 0.00 0.39 -5.05 107.32 108.28 1yar s GLY 31 Ca 0.36 -0.08 -0.00 0.00 0.00 0.00 0.00 44.72 45.00 1yar s GLY 31 CO -0.06 0.35 -0.12 1.25 0.00 0.00 0.00 173.10 174.52 1yar s LYS 32 N -5.04 3.31 0.00 2.90 2.20 -1.26 -4.57 119.74 117.28 1yar s LYS 32 Ca 0.61 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 55.56 1yar s LYS 32 Cb -0.16 -2.63 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 1yar s LYS 32 CO 0.55 0.27 0.27 1.63 -0.36 0.00 0.00 175.35 177.71 1yar n LYS 33 N 3.37 -0.29 -4.61 4.03 5.02 -1.26 -5.00 118.16 119.42 1yar n LYS 33 Ca -0.18 -0.29 -0.28 0.00 -2.02 0.00 0.00 58.31 55.54 1yar n LYS 33 Cb 0.53 -0.73 -0.17 0.00 -0.02 0.00 0.00 35.03 34.64 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 -0.04 1.78 -0.01 -0.35 2.96 -1.26 -1.65 118.68 120.12 1yar s LEU 34 Ca 0.00 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 1yar s LEU 34 Cb 0.00 -1.11 0.00 0.00 0.50 0.00 0.00 46.19 45.59 1yar s LEU 34 CO 0.00 0.04 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.69 1yar s PHE 35 N 0.82 0.31 -0.08 5.38 0.08 0.06 -4.99 117.98 119.56 1yar s PHE 35 Ca -0.10 -0.05 -0.30 0.00 0.12 0.00 0.00 56.93 56.60 1yar s PHE 35 Cb -0.16 -0.24 -0.03 0.00 -0.57 0.00 0.00 43.02 42.03 1yar s PHE 35 CO 0.01 -0.03 1.18 -1.14 -0.10 0.00 0.00 175.22 175.14 1yar s GLN 36 N 0.10 4.34 -0.00 0.44 0.74 -1.26 -0.68 119.66 123.34 1yar s GLN 36 Ca -0.01 1.63 0.08 0.00 0.05 0.00 0.00 55.36 57.11 1yar s GLN 36 Cb -0.03 -3.58 -0.09 0.00 1.10 0.00 0.00 33.01 30.40 1yar s GLN 36 CO -0.00 -0.47 0.30 0.44 -0.55 0.00 0.00 175.29 175.01 1yar n ILE 37 N 4.72 0.00 -3.85 -2.34 -5.35 -0.17 -4.95 119.36 107.42 1yar n ILE 37 Ca 0.11 -0.29 -0.09 0.00 -0.27 0.00 0.00 62.75 62.20 1yar n ILE 37 Cb 0.46 0.88 0.01 0.00 -1.74 0.00 0.00 39.64 39.26 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 -1.93 0.08 0.25 7.28 2.15 -0.97 -4.51 116.67 119.01 1yar s ASP 38 Ca 0.02 -1.11 -0.04 0.00 0.43 0.00 0.00 52.55 51.85 1yar s ASP 38 Cb 0.06 0.81 0.48 0.00 -0.30 0.00 0.00 42.92 43.96 1yar s ASP 38 CO 0.32 -1.58 1.70 0.74 -0.17 0.00 0.00 175.17 176.17 1yar h THR 39 N 2.02 0.55 -0.37 1.71 2.02 -1.98 -2.57 112.91 114.29 1yar h THR 39 Ca -0.30 -0.11 -0.28 0.00 0.77 0.00 0.00 66.41 66.49 1yar h THR 39 Cb 1.25 0.20 -0.28 0.00 -1.74 0.00 0.00 68.15 67.58 1yar h THR 39 CO 0.38 0.06 -0.78 -1.22 0.37 0.00 0.00 175.52 174.33 1yar n TYR 40 N -5.11 1.31 -4.03 3.16 4.01 -1.26 -3.09 117.16 112.14 1yar n TYR 40 Ca 0.15 -1.77 -0.17 0.00 -0.16 0.00 0.00 57.90 55.94 1yar n TYR 40 Cb 0.46 -0.27 -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 -3.52 0.31 0.23 -0.72 2.01 -0.97 -1.99 115.64 110.99 1yar s THR 41 Ca 0.41 -0.03 0.09 0.00 0.31 0.00 0.00 61.69 62.48 1yar s THR 41 Cb 0.38 -0.35 -0.05 0.00 0.01 0.00 0.00 72.50 72.49 1yar s THR 41 CO -0.03 0.15 -0.16 -0.83 -0.69 0.00 0.00 174.62 173.07 1yar s GLY 42 N 0.74 1.59 -0.02 4.40 0.00 0.66 -1.00 107.32 113.69 1yar s GLY 42 Ca -0.08 -1.74 -0.02 0.00 0.00 0.00 0.00 44.72 42.88 1yar s GLY 42 CO -0.01 -1.83 0.05 -0.29 0.00 0.00 0.00 173.10 171.03 1yar s MET 43 N -3.61 0.06 0.19 2.90 1.75 0.14 -1.36 119.30 119.37 1yar s MET 43 Ca 0.25 0.08 0.08 0.00 -1.25 0.00 0.00 55.69 54.86 1yar s MET 43 Cb -0.02 0.02 -0.04 0.00 2.84 0.00 0.00 34.83 37.63 1yar s MET 43 CO 0.10 -0.02 -0.02 0.95 -0.65 0.00 0.00 175.02 175.38 1yar s THR 44 N 0.09 3.55 0.02 10.11 -4.23 -0.53 -0.76 115.64 123.89 1yar s THR 44 Ca -0.01 -1.55 0.06 0.00 -1.18 0.00 0.00 61.69 59.01 1yar s THR 44 Cb -0.01 -2.80 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 1yar s THR 44 CO -0.00 -0.15 -0.17 0.27 -0.54 0.00 0.00 174.62 174.02 1yar s ILE 45 N -1.81 1.39 0.04 2.99 -4.36 -0.66 -2.51 121.20 116.29 1yar s ILE 45 Ca 0.27 -0.94 -0.06 0.00 -0.26 0.00 0.00 60.65 59.67 1yar s ILE 45 Cb -0.09 -1.19 -0.01 0.00 1.25 0.00 0.00 42.46 42.42 1yar s ILE 45 CO 0.18 0.24 0.10 0.00 0.24 0.00 0.00 174.94 175.70 1yar s ALA 46 N -0.63 -0.07 0.00 2.27 0.00 -0.81 -4.91 121.76 117.62 1yar s ALA 46 Ca 0.06 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1yar s ALA 46 Cb -0.08 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1yar s ALA 46 CO 0.01 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1yar n GLY 47 N 0.68 0.13 3.66 0.00 0.00 -1.26 -1.64 105.19 106.76 1yar n GLY 47 Ca -0.18 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 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 4.18 0.14 0.99 2.96 -0.63 -4.90 118.68 121.42 1yar s LEU 48 Ca 0.00 1.83 -0.17 0.00 -0.22 0.00 0.00 54.13 55.57 1yar s LEU 48 Cb 0.00 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.14 1yar s LEU 48 CO 0.00 -0.88 1.76 0.58 -1.32 0.00 0.00 176.35 176.50 1yar h VAL 49 N 5.60 1.12 -0.49 1.68 2.07 -1.92 -1.58 116.25 122.73 1yar h VAL 49 Ca -0.31 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.01 1yar h VAL 49 Cb 1.13 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 1yar h VAL 49 CO 0.97 0.12 0.15 1.23 0.02 0.00 0.00 177.57 180.06 1yar h GLY 50 N 0.44 0.63 0.95 2.17 0.00 -2.00 -0.76 103.07 104.51 1yar h GLY 50 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1yar h GLY 50 CO -0.02 -0.02 0.01 -0.55 0.00 0.00 0.00 176.54 175.96 1yar h ASP 51 N 0.31 0.00 -0.84 0.19 3.32 -1.87 -2.51 116.42 115.02 1yar h ASP 51 Ca 0.24 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1yar h ASP 51 Cb 0.28 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 1yar h ASP 51 CO -0.27 0.01 0.48 0.00 -1.72 0.00 0.00 179.24 177.74 1yar h ALA 52 N 1.03 1.08 -0.66 3.45 0.00 -1.00 -2.19 119.26 120.97 1yar h ALA 52 Ca 0.02 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1yar h ALA 52 Cb 0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1yar h ALA 52 CO -0.03 0.57 0.10 1.96 0.00 0.00 0.00 179.25 181.85 1yar h GLN 53 N 1.17 1.11 -0.41 0.00 4.20 -1.08 0.27 115.11 120.38 1yar h GLN 53 Ca 0.30 -0.30 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1yar h GLN 53 Cb 0.00 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.62 1yar h GLN 53 CO -0.05 1.02 0.18 0.28 -0.67 0.00 0.00 178.83 179.59 1yar h VAL 54 N 1.03 0.94 -0.55 -0.54 2.07 -1.25 -1.56 116.25 116.39 1yar h VAL 54 Ca 0.20 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.50 1yar h VAL 54 Cb 0.45 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1yar h VAL 54 CO 0.01 0.07 -0.02 -0.07 0.02 0.00 0.00 177.57 177.58 1yar h LEU 55 N 0.37 0.94 -0.24 2.57 3.38 -0.93 -0.74 115.31 120.66 1yar h LEU 55 Ca 0.18 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1yar h LEU 55 Cb 0.11 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1yar h LEU 55 CO -0.15 1.01 -0.01 0.58 0.09 0.00 0.00 178.44 179.96 1yar h VAL 56 N 0.88 0.81 -0.71 1.22 2.07 -0.76 -0.19 116.25 119.58 1yar h VAL 56 Ca 0.16 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.67 1yar h VAL 56 Cb 0.55 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1yar h VAL 56 CO 0.03 0.01 0.46 0.03 0.02 0.00 0.00 177.57 178.12 1yar h ARG 57 N 0.06 0.89 -0.28 1.57 3.08 -0.88 -1.08 114.38 117.74 1yar h ARG 57 Ca 0.12 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1yar h ARG 57 Cb 0.15 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1yar h ARG 57 CO -0.21 0.59 0.01 -0.92 -1.07 0.00 0.00 179.97 178.38 1yar h TYR 58 N 0.92 0.52 -0.68 3.04 3.20 -0.89 -1.99 116.97 121.09 1yar h TYR 58 Ca 0.27 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1yar h TYR 58 Cb -0.05 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 1yar h TYR 58 CO -0.03 0.62 0.36 0.52 -1.64 0.00 0.00 178.16 177.98 1yar h MET 59 N 0.27 0.95 -0.51 1.82 2.86 -0.87 0.29 114.93 119.75 1yar h MET 59 Ca 0.08 -0.12 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1yar h MET 59 Cb 0.40 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 1yar h MET 59 CO 0.01 0.73 0.28 0.87 1.06 0.00 0.00 176.91 179.86 1yar h LYS 60 N 0.93 0.54 0.11 1.72 1.57 -1.12 -0.98 116.57 119.35 1yar h LYS 60 Ca 0.24 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1yar h LYS 60 Cb 0.06 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1yar h LYS 60 CO -0.04 0.36 -0.05 0.00 -0.57 0.00 0.00 179.45 179.15 1yar h ALA 61 N 1.24 -0.14 -0.68 3.86 0.00 -0.73 -2.31 119.26 120.50 1yar h ALA 61 Ca 0.21 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1yar h ALA 61 Cb 0.06 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1yar h ALA 61 CO -0.12 -0.43 0.15 1.49 0.00 0.00 0.00 179.25 180.34 1yar h GLU 62 N -0.44 1.09 -0.38 0.00 4.57 -0.41 -0.80 114.58 118.21 1yar h GLU 62 Ca -0.01 -0.27 -0.15 0.00 -1.18 0.00 0.00 59.36 57.75 1yar h GLU 62 Cb 0.36 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1yar h GLU 62 CO 0.02 0.97 -0.36 -0.07 -1.18 0.00 0.00 179.01 178.40 1yar h LEU 63 N 1.03 0.96 0.07 1.64 3.38 -1.21 0.79 115.31 121.98 1yar h LEU 63 Ca 0.21 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1yar h LEU 63 Cb 0.39 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1yar h LEU 63 CO 0.00 1.21 -0.04 -0.08 0.09 0.00 0.00 178.44 179.63 1yar h GLU 64 N 0.74 -0.10 -0.51 1.13 4.81 -1.32 -0.98 114.58 118.36 1yar h GLU 64 Ca 0.07 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.38 1yar h GLU 64 Cb 0.94 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.28 1yar h GLU 64 CO 0.09 -0.04 0.15 1.25 -0.73 0.00 0.00 179.01 179.73 1yar h LEU 65 N -0.12 0.11 -0.39 1.64 5.85 -1.02 -1.50 115.31 119.87 1yar h LEU 65 Ca -0.01 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1yar h LEU 65 Cb 0.10 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1yar h LEU 65 CO 0.02 0.09 0.22 0.22 -0.34 0.00 0.00 178.44 178.64 1yar h TYR 66 N 0.31 0.53 -0.79 1.25 5.03 -0.73 -0.37 116.97 122.20 1yar h TYR 66 Ca 0.25 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.59 1yar h TYR 66 Cb 0.30 -0.17 -0.05 0.00 1.55 0.00 0.00 36.73 38.36 1yar h TYR 66 CO -0.19 0.41 0.50 -0.09 -1.32 0.00 0.00 178.16 177.46 1yar h ARG 67 N 0.51 0.92 -0.28 1.82 2.43 -0.87 0.27 114.38 119.17 1yar h ARG 67 Ca 0.14 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.14 1yar h ARG 67 Cb 0.04 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 1yar h ARG 67 CO -0.02 0.61 -0.30 -0.07 -1.51 0.00 0.00 179.97 178.68 1yar h LEU 68 N 0.95 0.60 -0.00 3.80 3.38 -0.86 -0.03 115.31 123.15 1yar h LEU 68 Ca 0.33 -0.23 -0.24 0.00 0.09 0.00 0.00 57.88 57.83 1yar h LEU 68 Cb 0.07 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 40.68 1yar h LEU 68 CO -0.14 0.87 -0.92 1.56 0.09 0.00 0.00 178.44 179.90 1yar h GLN 69 N 0.50 0.63 0.00 1.13 4.20 -0.51 -3.34 115.11 117.71 1yar h GLN 69 Ca 0.06 -0.67 0.00 0.00 0.06 0.00 0.00 58.65 58.10 1yar h GLN 69 Cb 0.77 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1yar h GLN 69 CO 0.06 1.27 -0.98 0.54 -0.67 0.00 0.00 178.83 179.05 1yar n ARG 70 N -3.96 0.24 -1.36 1.46 3.00 0.89 -4.96 116.66 111.97 1yar n ARG 70 Ca -0.11 -0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.60 1yar n ARG 70 Cb 0.82 -1.58 -0.05 0.00 0.00 0.00 0.00 32.46 31.66 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 -1.88 -1.67 -4.05 5.56 1.74 -0.03 -4.97 116.66 111.36 1yar n ARG 71 Ca 0.02 0.93 -0.08 0.00 -0.77 0.00 0.00 57.85 57.96 1yar n ARG 71 Cb 0.42 -5.36 -0.09 0.00 -1.02 0.00 0.00 32.46 26.40 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 -2.05 0.19 0.41 1.55 -7.23 -1.24 -5.05 120.40 106.99 1yar s VAL 72 Ca 0.00 -1.69 -0.24 0.00 -1.81 0.00 0.00 61.98 58.24 1yar s VAL 72 Cb 0.00 -1.53 -0.08 0.00 0.56 0.00 0.00 36.38 35.33 1yar s VAL 72 CO 0.00 -0.88 1.12 0.20 -0.31 0.00 0.00 175.10 175.23 1yar s ASN 73 N -2.92 6.53 0.16 4.85 -0.87 -1.26 -4.08 114.94 117.35 1yar s ASN 73 Ca 0.08 2.22 -0.32 0.00 -1.57 0.00 0.00 52.86 53.27 1yar s ASN 73 Cb 0.07 -2.60 -0.11 0.00 -0.02 0.00 0.00 41.25 38.59 1yar s ASN 73 CO -0.09 -0.66 1.78 0.80 -2.57 0.00 0.00 177.10 176.36 1yar n MET 74 N -0.11 2.77 -1.68 -0.60 0.00 -1.26 -4.93 117.12 111.31 1yar n MET 74 Ca 0.05 1.00 -0.41 0.00 -0.00 0.00 0.00 57.70 58.35 1yar n MET 74 Cb 0.48 -2.87 0.01 0.00 0.00 0.00 0.00 33.22 30.84 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 4.78 1.79 -0.37 2.12 -0.02 -1.26 -4.75 135.00 137.29 1yar n PRO 75 Ca 0.17 0.64 0.01 0.00 -2.02 0.00 0.00 63.50 62.30 1yar n PRO 75 Cb 0.36 -2.31 0.15 0.00 -0.02 0.00 0.00 33.50 31.68 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 1.94 1.13 -0.14 4.25 1.08 -1.92 0.78 117.51 124.64 1yar h ILE 76 Ca -0.47 -0.42 -0.03 0.00 -0.39 0.00 0.00 64.86 63.55 1yar h ILE 76 Cb 1.30 -0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 1yar h ILE 76 CO 0.59 0.22 -0.06 -0.08 -0.69 0.00 0.00 178.15 178.13 1yar h GLU 77 N 1.22 0.21 -0.41 2.37 4.81 -1.99 -1.82 114.58 118.96 1yar h GLU 77 Ca 0.41 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.47 1yar h GLU 77 Cb 0.08 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1yar h GLU 77 CO -0.15 0.29 -0.29 0.00 -0.73 0.00 0.00 179.01 178.13 1yar h ALA 78 N 1.74 0.71 -0.28 2.92 0.00 -1.25 -0.70 119.26 122.39 1yar h ALA 78 Ca 0.05 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 54.58 1yar h ALA 78 Cb 0.25 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1yar h ALA 78 CO 0.01 0.67 0.03 0.28 0.00 0.00 0.00 179.25 180.24 1yar h VAL 79 N 0.75 0.83 -0.49 0.00 2.07 -0.68 -0.47 116.25 118.27 1yar h VAL 79 Ca 0.08 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 1yar h VAL 79 Cb 0.86 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1yar h VAL 79 CO 0.08 0.02 0.04 0.00 0.02 0.00 0.00 177.57 177.73 1yar h ALA 80 N 1.22 1.16 -0.36 1.67 0.00 -1.19 -1.76 119.26 120.01 1yar h ALA 80 Ca 0.13 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1yar h ALA 80 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1yar h ALA 80 CO -0.20 0.55 -0.09 1.15 0.00 0.00 0.00 179.25 180.66 1yar h THR 81 N 0.74 1.28 -0.03 0.00 2.02 -0.88 0.07 112.91 116.11 1yar h THR 81 Ca 0.15 -1.17 0.02 0.00 0.77 0.00 0.00 66.41 66.18 1yar h THR 81 Cb 0.39 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1yar h THR 81 CO 0.01 0.39 -0.09 0.25 0.37 0.00 0.00 175.52 176.45 1yar h LEU 82 N 0.50 -0.26 -0.75 2.58 5.85 -0.97 -0.46 115.31 121.80 1yar h LEU 82 Ca 0.09 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1yar h LEU 82 Cb 0.61 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 1yar h LEU 82 CO 0.04 -0.13 0.46 -0.07 -0.34 0.00 0.00 178.44 178.40 1yar h LEU 83 N -0.14 0.72 0.59 2.25 3.38 -1.21 -1.34 115.31 119.56 1yar h LEU 83 Ca 0.04 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1yar h LEU 83 Cb 0.20 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1yar h LEU 83 CO -0.11 0.48 -0.43 0.28 0.09 0.00 0.00 178.44 178.75 1yar h SER 84 N 0.86 -1.12 -0.59 -0.43 0.02 -0.63 -0.27 113.55 111.39 1yar h SER 84 Ca 0.32 0.08 0.12 0.00 -0.84 0.00 0.00 61.79 61.46 1yar h SER 84 Cb 0.11 0.35 -0.11 0.00 0.14 0.00 0.00 62.40 62.88 1yar h SER 84 CO -0.15 -0.63 -0.18 0.78 -1.14 0.00 0.00 176.83 175.51 1yar h ASN 85 N -0.98 -0.65 -0.03 3.07 2.35 -0.87 0.14 115.58 118.62 1yar h ASN 85 Ca -0.07 0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1yar h ASN 85 Cb 0.82 0.40 -0.00 0.00 0.05 0.00 0.00 38.32 39.59 1yar h ASN 85 CO 0.03 -0.22 0.02 0.24 -1.65 0.00 0.00 177.43 175.84 1yar h MET 86 N -0.03 0.03 -0.31 0.81 2.86 -1.04 -1.53 114.93 115.72 1yar h MET 86 Ca 0.28 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.85 1yar h MET 86 Cb 0.46 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1yar h MET 86 CO -0.62 0.05 -0.07 -0.07 1.06 0.00 0.00 176.91 177.26 1yar h LEU 87 N 0.01 0.61 -1.32 1.22 4.07 -0.56 -3.10 115.31 116.25 1yar h LEU 87 Ca 0.01 -0.36 -0.03 0.00 0.08 0.00 0.00 57.88 57.58 1yar h LEU 87 Cb 0.03 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 1yar h LEU 87 CO -0.00 0.83 0.15 -1.13 -1.08 0.00 0.00 178.44 177.21 1yar h ASN 88 N 0.38 0.56 0.16 -0.43 -0.73 -0.69 -2.59 115.58 112.24 1yar h ASN 88 Ca 0.08 -0.07 -0.02 0.00 1.87 0.00 0.00 56.30 58.16 1yar h ASN 88 Cb 0.56 -0.14 -0.00 0.00 0.27 0.00 0.00 38.32 39.00 1yar h ASN 88 CO 0.03 0.53 -0.09 1.56 -0.37 0.00 0.00 177.43 179.09 1yar h GLN 89 N 0.62 0.00 -0.35 6.67 4.20 -1.20 -1.74 115.11 123.31 1yar h GLN 89 Ca 0.15 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.70 1yar h GLN 89 Cb 0.16 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.84 1yar h GLN 89 CO -0.01 0.09 -0.05 1.33 -0.67 0.00 0.00 178.83 179.53 1yar n VAL 90 N -4.05 2.52 0.18 -0.54 0.24 -1.00 -4.82 118.33 110.86 1yar n VAL 90 Ca -0.02 -2.59 0.17 0.00 -2.04 0.00 0.00 64.34 59.85 1yar n VAL 90 Cb 0.18 -0.31 0.78 0.00 -1.47 0.00 0.00 33.84 33.02 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 1.10 0.00 0.00 7.34 2.10 -1.01 0.12 116.57 126.22 1yar h LYS 91 Ca 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 1yar h LYS 91 Cb 1.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.98 1yar h LYS 91 CO 0.38 0.00 -0.49 1.88 -2.00 0.00 0.00 179.45 179.22 1yar h TYR 92 N 0.00 0.00 -2.12 0.07 -1.99 -1.87 -3.34 116.97 107.71 1yar h TYR 92 Ca 0.10 0.00 -0.56 0.00 2.00 0.00 0.00 58.73 60.28 1yar h TYR 92 Cb 0.51 0.00 -0.41 0.00 2.00 0.00 0.00 36.73 38.83 1yar h TYR 92 CO 0.00 0.00 -0.88 -1.33 -0.00 0.00 0.00 178.16 175.95 1yar n MET 93 N -2.20 1.91 -1.91 4.88 2.81 0.37 -5.13 117.12 117.84 1yar n MET 93 Ca 0.04 -4.06 -0.30 0.00 -1.81 0.00 0.00 57.70 51.56 1yar n MET 93 Cb 0.45 -1.87 0.04 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 -2.45 3.03 -0.21 0.03 0.04 -0.79 -4.88 135.00 129.77 1yar s PRO 94 Ca 0.41 0.50 -0.29 0.00 0.04 0.00 0.00 61.00 61.66 1yar s PRO 94 Cb 0.24 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1yar s PRO 94 CO -0.09 -0.91 1.06 0.71 0.04 0.00 0.00 177.00 177.82 1yar s TYR 95 N -3.30 3.31 -1.37 0.56 1.51 -1.26 -4.97 117.35 111.83 1yar s TYR 95 Ca 0.57 1.43 -0.07 0.00 -1.01 0.00 0.00 57.07 57.99 1yar s TYR 95 Cb -0.11 -3.29 0.09 0.00 -0.11 0.00 0.00 41.96 38.55 1yar s TYR 95 CO 0.52 -0.59 2.39 -1.33 -1.11 0.00 0.00 175.55 175.43 1yar n MET 96 N 6.19 4.25 -4.31 -0.62 2.81 -1.26 -4.58 117.12 119.60 1yar n MET 96 Ca 0.12 -3.25 -0.17 0.00 -1.81 0.00 0.00 57.70 52.59 1yar n MET 96 Cb 0.46 -2.72 -0.10 0.00 -0.71 0.00 0.00 33.22 30.15 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 -0.26 1.40 -0.06 2.03 -7.23 -1.26 -1.60 120.40 113.41 1yar s VAL 97 Ca 0.54 -2.12 0.05 0.00 -1.81 0.00 0.00 61.98 58.64 1yar s VAL 97 Cb 0.17 -2.05 -0.00 0.00 0.56 0.00 0.00 36.38 35.06 1yar s VAL 97 CO -0.07 -0.59 -0.20 -1.10 -0.31 0.00 0.00 175.10 172.83 1yar s GLN 98 N -3.73 2.26 0.02 4.82 -0.21 -0.65 -2.75 119.66 119.42 1yar s GLN 98 Ca 0.22 -0.73 0.06 0.00 0.02 0.00 0.00 55.36 54.93 1yar s GLN 98 Cb 0.02 -1.87 -0.02 0.00 1.00 0.00 0.00 33.01 32.14 1yar s GLN 98 CO 0.05 0.24 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.77 1yar s LEU 99 N 0.12 2.11 -0.10 2.90 1.43 -0.36 -1.93 118.68 122.85 1yar s LEU 99 Ca -0.08 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1yar s LEU 99 Cb -0.14 -0.92 -0.02 0.00 0.03 0.00 0.00 46.19 45.14 1yar s LEU 99 CO 0.04 0.17 -0.13 -0.76 0.23 0.00 0.00 176.35 175.91 1yar s LEU 100 N -0.84 2.77 -0.13 1.79 1.43 -1.04 -0.88 118.68 121.77 1yar s LEU 100 Ca 0.07 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1yar s LEU 100 Cb -0.08 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.54 1yar s LEU 100 CO 0.01 0.23 -0.20 -0.69 0.23 0.00 0.00 176.35 175.92 1yar s VAL 101 N -0.04 2.28 0.04 -1.59 1.01 -0.01 -1.45 120.40 120.64 1yar s VAL 101 Ca -0.03 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.07 1yar s VAL 101 Cb -0.14 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 1yar s VAL 101 CO 0.04 0.54 -0.11 -0.83 0.00 0.00 0.00 175.10 174.75 1yar s GLY 102 N 0.62 0.64 0.00 4.51 0.00 -0.46 -0.27 107.32 112.35 1yar s GLY 102 Ca -0.11 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 43.83 1yar s GLY 102 CO 0.03 -0.81 0.00 0.61 0.00 0.00 0.00 173.10 172.93 1yar n GLY 103 N 1.66 -1.27 3.16 0.20 0.00 -0.51 -0.25 105.19 108.18 1yar n GLY 103 Ca -0.20 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.44 1.94 0.00 -0.61 -1.09 -0.84 -0.80 121.20 117.36 1yar s ILE 104 Ca 0.00 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.50 1yar s ILE 104 Cb 0.00 -1.71 0.00 0.00 -1.58 0.00 0.00 42.46 39.17 1yar s ILE 104 CO 0.00 0.53 0.00 -0.90 -1.23 0.00 0.00 174.94 173.34 1yar n ASP 105 N 3.97 0.00 -0.09 3.58 5.68 -1.26 -4.79 116.55 123.63 1yar n ASP 105 Ca -0.20 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.24 1yar n ASP 105 Cb 0.52 0.00 0.67 0.00 -1.14 0.00 0.00 41.12 41.17 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 -3.49 2.12 -2.24 -1.26 -4.93 114.28 104.48 1yar n THR 106 Ca 0.00 -0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 61.63 1yar n THR 106 Cb 0.00 -0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.00 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 -2.43 -1.77 0.39 6.98 0.00 -1.26 -5.16 121.76 118.52 1yar s ALA 107 Ca 0.31 0.96 -0.26 0.00 0.00 0.00 0.00 51.96 52.97 1yar s ALA 107 Cb 0.20 0.39 -0.09 0.00 0.00 0.00 0.00 23.12 23.63 1yar s ALA 107 CO 0.46 -0.64 1.19 -2.14 0.00 0.00 0.00 175.76 174.63 1yar s PRO 108 N -2.90 4.07 -0.04 0.00 0.02 -1.26 -4.36 135.00 130.53 1yar s PRO 108 Ca 0.02 1.89 -0.04 0.00 0.02 0.00 0.00 61.00 62.89 1yar s PRO 108 Cb -0.01 -2.72 0.01 0.00 0.02 0.00 0.00 34.50 31.81 1yar s PRO 108 CO -0.07 -0.32 0.12 -1.01 -0.33 0.00 0.00 177.00 175.38 1yar s HIS 109 N -1.37 -0.12 -0.08 6.54 3.76 0.02 -5.00 115.29 119.04 1yar s HIS 109 Ca 0.56 0.30 0.02 0.00 -0.15 0.00 0.00 55.06 55.80 1yar s HIS 109 Cb -0.32 0.04 0.01 0.00 1.11 0.00 0.00 32.58 33.42 1yar s HIS 109 CO 0.41 -0.07 -0.15 0.08 -0.85 0.00 0.00 174.74 174.15 1yar s VAL 110 N 0.01 1.40 -0.01 -0.90 1.01 -1.25 -1.42 120.40 119.24 1yar s VAL 110 Ca -0.01 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.42 1yar s VAL 110 Cb -0.01 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1yar s VAL 110 CO 0.00 0.42 -0.23 -0.36 0.00 0.00 0.00 175.10 174.92 1yar s PHE 111 N 0.67 2.10 -0.14 5.22 0.40 0.62 -1.33 117.98 125.52 1yar s PHE 111 Ca -0.14 -0.40 -0.06 0.00 -0.60 0.00 0.00 56.93 55.74 1yar s PHE 111 Cb -0.16 -1.34 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 1yar s PHE 111 CO 0.04 -0.02 0.05 -1.12 0.70 0.00 0.00 175.22 174.87 1yar s SER 112 N -0.61 5.59 -0.06 1.36 0.01 -0.43 -0.83 113.70 118.73 1yar s SER 112 Ca 0.09 0.14 0.03 0.00 1.31 0.00 0.00 55.95 57.52 1yar s SER 112 Cb -0.09 -1.84 0.01 0.00 0.21 0.00 0.00 66.02 64.31 1yar s SER 112 CO -0.01 0.26 -0.14 -0.63 0.41 0.00 0.00 173.24 173.14 1yar s ILE 113 N -0.18 1.22 0.51 1.44 1.09 -0.06 -1.37 121.20 123.84 1yar s ILE 113 Ca 0.07 -0.55 0.09 0.00 -1.10 0.00 0.00 60.65 59.16 1yar s ILE 113 Cb -0.12 -1.09 0.05 0.00 -1.06 0.00 0.00 42.46 40.24 1yar s ILE 113 CO 0.01 0.37 0.70 1.51 -0.10 0.00 0.00 174.94 177.43 1yar s ASP 114 N 0.49 5.35 0.13 3.58 1.47 -0.32 -1.22 116.67 126.15 1yar s ASP 114 Ca -0.12 -0.66 0.12 0.00 1.18 0.00 0.00 52.55 53.07 1yar s ASP 114 Cb -0.15 -0.12 0.59 0.00 -0.34 0.00 0.00 42.92 42.91 1yar s ASP 114 CO 0.04 -1.09 1.37 0.00 0.68 0.00 0.00 175.17 176.17 1yar n ALA 115 N -2.07 1.21 -0.35 2.11 0.00 -1.11 -1.02 120.51 119.27 1yar n ALA 115 Ca 0.12 0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.71 1yar n ALA 115 Cb 0.60 -1.19 0.24 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.62 2.41 -1.01 0.00 0.00 -1.26 -4.57 120.51 114.46 1yar n ALA 116 Ca 0.00 -1.34 -0.00 0.00 0.00 0.00 0.00 53.44 52.10 1yar n ALA 116 Cb 0.07 -0.67 -0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.84 0.47 3.70 0.00 0.00 -0.19 -3.64 105.19 106.38 1yar n GLY 117 Ca 0.18 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.34 2.06 -0.07 -0.02 0.00 -1.26 -4.49 107.32 101.20 1yar s GLY 118 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 44.72 45.66 1yar s GLY 118 CO 0.00 2.31 -0.05 -0.45 0.00 0.00 0.00 173.10 174.90 1yar s SER 119 N 1.36 1.56 -0.05 1.64 0.15 -1.26 -1.17 113.70 115.94 1yar s SER 119 Ca 0.62 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 57.10 1yar s SER 119 Cb -0.32 -0.61 0.02 0.00 -1.71 0.00 0.00 66.02 63.40 1yar s SER 119 CO 0.28 -0.10 -0.07 -0.69 1.20 0.00 0.00 173.24 173.87 1yar s VAL 120 N 1.37 0.68 0.34 4.45 1.01 -0.47 -4.97 120.40 122.81 1yar s VAL 120 Ca -0.03 -0.23 -0.26 0.00 0.00 0.00 0.00 61.98 61.46 1yar s VAL 120 Cb -0.14 -0.67 -0.09 0.00 0.00 0.00 0.00 36.38 35.48 1yar s VAL 120 CO -0.03 0.25 1.02 -0.70 0.00 0.00 0.00 175.10 175.64 1yar s GLU 121 N 0.75 4.45 0.12 2.72 2.12 -1.26 -1.31 118.70 126.28 1yar s GLU 121 Ca -0.11 1.52 -0.10 0.00 0.36 0.00 0.00 54.97 56.63 1yar s GLU 121 Cb -0.14 -2.81 0.00 0.00 0.26 0.00 0.00 34.13 31.44 1yar s GLU 121 CO 0.01 0.11 0.27 0.34 -0.54 0.00 0.00 175.26 175.45 1yar s ASP 122 N -1.41 0.02 0.30 -1.70 -1.08 -0.44 -4.97 116.67 107.39 1yar s ASP 122 Ca 0.51 -0.65 0.12 0.00 -0.52 0.00 0.00 52.55 52.01 1yar s ASP 122 Cb -0.23 0.40 0.46 0.00 -1.46 0.00 0.00 42.92 42.09 1yar s ASP 122 CO 0.30 -0.81 1.67 0.16 0.52 0.00 0.00 175.17 177.00 1yar h ILE 123 N 2.60 1.36 -3.56 4.11 3.07 -1.95 -3.33 117.51 119.79 1yar h ILE 123 Ca -0.33 -1.90 -0.07 0.00 1.55 0.00 0.00 64.86 64.12 1yar h ILE 123 Cb 1.22 2.03 -0.13 0.00 -0.27 0.00 0.00 36.82 39.67 1yar h ILE 123 CO 0.51 0.54 -0.19 -0.72 -1.05 0.00 0.00 178.15 177.24 1yar s TYR 124 N -3.73 -0.05 0.13 0.16 -0.85 -1.26 -0.89 117.35 110.87 1yar s TYR 124 Ca -0.01 -0.32 -0.24 0.00 -0.52 0.00 0.00 57.07 55.98 1yar s TYR 124 Cb 0.13 0.13 0.07 0.00 0.38 0.00 0.00 41.96 42.67 1yar s TYR 124 CO 0.75 -0.65 0.60 0.00 -1.52 0.00 0.00 175.55 174.73 1yar s ALA 125 N -3.83 -1.59 -0.00 9.51 0.00 -0.23 -5.01 121.76 120.61 1yar s ALA 125 Ca 0.04 0.57 -0.04 0.00 0.00 0.00 0.00 51.96 52.54 1yar s ALA 125 Cb 0.03 0.77 -0.00 0.00 0.00 0.00 0.00 23.12 23.91 1yar s ALA 125 CO -0.11 -0.71 0.07 0.45 0.00 0.00 0.00 175.76 175.45 1yar s SER 126 N -2.55 0.06 0.26 0.00 0.15 -1.26 -0.92 113.70 109.44 1yar s SER 126 Ca -0.00 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.48 1yar s SER 126 Cb -0.01 0.16 -0.05 0.00 -1.71 0.00 0.00 66.02 64.41 1yar s SER 126 CO -0.10 -0.24 0.05 0.42 1.20 0.00 0.00 173.24 174.57 1yar s THR 127 N -0.98 0.81 0.00 6.45 -4.23 -0.71 -4.90 115.64 112.08 1yar s THR 127 Ca -0.11 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 1yar s THR 127 Cb -0.06 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1yar s THR 127 CO 0.00 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 1yar n GLY 128 N -0.47 0.10 0.31 3.99 0.00 -1.26 -1.45 105.19 106.40 1yar n GLY 128 Ca -0.02 -1.85 0.13 0.00 0.00 0.00 0.00 46.02 44.27 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 0.24 1.61 4.64 -1.70 -1.83 113.55 116.51 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 -0.06 0.61 -0.87 0.00 0.00 176.83 176.51 1yar n GLY 130 N -1.56 -0.83 0.35 -0.77 0.00 -0.46 -4.42 105.19 97.49 1yar n GLY 130 Ca 0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.68 0.89 -0.90 1.61 4.64 -1.49 -2.66 113.55 116.32 1yar h SER 131 Ca 0.00 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1yar h SER 131 Cb 0.30 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.12 1yar h SER 131 CO 0.00 0.66 0.54 -0.65 -0.87 0.00 0.00 176.83 176.51 1yar h PRO 132 N 1.03 1.22 -0.56 4.77 0.11 -1.82 0.52 132.00 137.28 1yar h PRO 132 Ca 0.27 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1yar h PRO 132 Cb -0.07 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 30.75 1yar h PRO 132 CO -0.05 0.86 0.29 0.74 -0.21 0.00 0.00 178.00 179.62 1yar h PHE 133 N 1.24 0.78 -0.26 0.65 0.04 -1.80 -1.85 116.94 115.73 1yar h PHE 133 Ca 0.32 -0.03 0.05 0.00 2.80 0.00 0.00 57.97 61.11 1yar h PHE 133 Cb -0.05 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 37.81 1yar h PHE 133 CO 0.00 0.58 -0.01 0.28 -0.60 0.00 0.00 178.31 178.56 1yar h VAL 134 N 0.75 0.80 -0.64 -0.55 2.07 -1.19 -2.60 116.25 114.89 1yar h VAL 134 Ca 0.19 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.75 1yar h VAL 134 Cb 0.08 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1yar h VAL 134 CO -0.03 0.01 0.42 1.88 0.02 0.00 0.00 177.57 179.87 1yar h TYR 135 N 0.06 0.66 0.14 1.57 0.05 -0.55 -0.33 116.97 118.57 1yar h TYR 135 Ca 0.13 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.93 1yar h TYR 135 Cb 0.17 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 1yar h TYR 135 CO -0.22 0.36 -0.19 0.78 -1.05 0.00 0.00 178.16 177.84 1yar h GLY 136 N 0.66 -0.37 0.98 3.88 0.00 -0.97 0.05 103.07 107.30 1yar h GLY 136 Ca 0.27 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.81 1yar h GLY 136 CO -0.08 -0.18 0.28 -2.08 0.00 0.00 0.00 176.54 174.48 1yar h VAL 137 N -0.39 1.18 -0.35 4.60 2.07 -1.09 -2.02 116.25 120.25 1yar h VAL 137 Ca 0.02 -0.47 -0.11 0.00 0.82 0.00 0.00 66.70 66.95 1yar h VAL 137 Cb 0.39 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1yar h VAL 137 CO -0.09 0.20 -0.22 -0.07 0.02 0.00 0.00 177.57 177.41 1yar h LEU 138 N 0.70 0.81 -0.85 2.57 3.38 -1.01 0.80 115.31 121.71 1yar h LEU 138 Ca 0.18 -0.43 0.07 0.00 0.09 0.00 0.00 57.88 57.80 1yar h LEU 138 Cb 0.06 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 1yar h LEU 138 CO -0.03 1.06 0.52 -0.33 0.09 0.00 0.00 178.44 179.75 1yar h GLU 139 N 0.56 0.89 0.03 1.13 4.39 -0.86 -0.04 114.58 120.68 1yar h GLU 139 Ca 0.07 -0.05 -0.24 0.00 0.34 0.00 0.00 59.36 59.48 1yar h GLU 139 Cb 0.78 -0.20 0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1yar h GLU 139 CO 0.06 0.59 -1.02 1.03 -1.16 0.00 0.00 179.01 178.52 1yar h SER 140 N 0.92 0.58 0.00 1.42 0.87 -0.96 -3.41 113.55 112.98 1yar h SER 140 Ca 0.39 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1yar h SER 140 Cb 0.24 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1yar h SER 140 CO -0.20 1.30 -0.24 0.00 -0.53 0.00 0.00 176.83 177.16 1yar n GLN 141 N -3.73 4.95 -2.19 2.24 6.02 0.24 -5.02 117.38 119.88 1yar n GLN 141 Ca -0.08 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.50 1yar n GLN 141 Cb 0.88 -0.60 -0.03 0.00 1.02 0.00 0.00 30.24 31.51 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 -1.18 3.21 -0.04 1.08 5.04 -0.04 -5.02 117.35 120.40 1yar s TYR 142 Ca 0.00 1.29 0.02 0.00 -2.44 0.00 0.00 57.07 55.94 1yar s TYR 142 Cb 0.00 -3.62 0.02 0.00 0.35 0.00 0.00 41.96 38.71 1yar s TYR 142 CO 0.00 -1.84 -0.07 0.45 -1.34 0.00 0.00 175.55 172.75 1yar s SER 143 N 0.02 1.14 0.47 4.32 0.15 -1.26 -4.98 113.70 113.57 1yar s SER 143 Ca 0.54 -0.17 0.26 0.00 0.70 0.00 0.00 55.95 57.28 1yar s SER 143 Cb -0.37 -0.51 1.43 0.00 -1.71 0.00 0.00 66.02 64.86 1yar s SER 143 CO 0.43 -0.01 1.78 -0.33 1.20 0.00 0.00 173.24 176.30 1yar h GLU 144 N 6.97 0.00 -0.01 5.44 5.08 -1.95 -2.24 114.58 127.87 1yar h GLU 144 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 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 -0.24 1.63 -1.00 0.00 0.00 179.01 179.88 1yar n LYS 145 N -2.52 1.07 -1.67 2.33 5.02 -1.26 -4.31 118.16 116.83 1yar n LYS 145 Ca -0.02 -0.69 -0.39 0.00 -2.02 0.00 0.00 58.31 55.19 1yar n LYS 145 Cb 0.19 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.75 1yar n LYS 145 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1yar n MET 146 N -0.36 1.34 -1.83 1.97 2.81 -0.84 -5.01 117.12 115.19 1yar n MET 146 Ca 0.13 0.50 -0.29 0.00 -1.81 0.00 0.00 57.70 56.22 1yar n MET 146 Cb 0.38 -2.32 0.08 0.00 -0.71 0.00 0.00 33.22 30.65 1yar n MET 146 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1yar s THR 147 N -1.37 2.54 0.18 2.03 -4.23 -1.26 -4.70 115.64 108.83 1yar s THR 147 Ca 0.71 0.18 -0.13 0.00 -1.18 0.00 0.00 61.69 61.26 1yar s THR 147 Cb -0.45 -3.13 0.07 0.00 1.34 0.00 0.00 72.50 70.33 1yar s THR 147 CO 0.50 -0.23 1.79 0.58 -0.54 0.00 0.00 174.62 176.72 1yar h VAL 148 N -0.98 0.98 -0.77 2.29 2.07 -1.99 -0.10 116.25 117.75 1yar h VAL 148 Ca -0.46 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 66.95 1yar h VAL 148 Cb 1.30 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 1yar h VAL 148 CO 0.64 0.09 0.46 0.44 0.02 0.00 0.00 177.57 179.22 1yar h ASP 149 N 0.50 0.70 -0.72 0.57 3.32 -2.00 -0.26 116.42 118.53 1yar h ASP 149 Ca 0.21 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 1yar h ASP 149 Cb 0.11 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1yar h ASP 149 CO -0.14 0.44 0.21 -0.33 -1.72 0.00 0.00 179.24 177.70 1yar h GLU 150 N 0.83 1.14 -0.52 3.56 5.08 -1.74 -2.41 114.58 120.51 1yar h GLU 150 Ca 0.34 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1yar h GLU 150 Cb 0.19 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1yar h GLU 150 CO -0.18 0.98 -0.04 0.78 -1.00 0.00 0.00 179.01 179.54 1yar h GLY 151 N 1.08 1.03 0.98 -3.84 0.00 -0.45 -1.25 103.07 100.62 1yar h GLY 151 Ca 0.23 -0.79 0.01 0.00 0.00 0.00 0.00 47.33 46.78 1yar h GLY 151 CO -0.00 0.73 0.24 -2.08 0.00 0.00 0.00 176.54 175.42 1yar h VAL 152 N 0.82 1.08 -0.82 4.60 2.07 -1.00 -1.30 116.25 121.71 1yar h VAL 152 Ca 0.14 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1yar h VAL 152 Cb 0.59 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1yar h VAL 152 CO 0.04 0.09 0.51 0.44 0.02 0.00 0.00 177.57 178.67 1yar h ASP 153 N 0.48 0.83 0.19 0.57 3.32 -1.23 -2.09 116.42 118.49 1yar h ASP 153 Ca 0.14 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1yar h ASP 153 Cb -0.04 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.34 1yar h ASP 153 CO -0.04 0.56 -0.09 0.25 -1.72 0.00 0.00 179.24 178.20 1yar h LEU 154 N 0.97 -0.22 -1.04 1.55 5.85 -0.66 0.62 115.31 122.39 1yar h LEU 154 Ca 0.34 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 59.02 1yar h LEU 154 Cb 0.08 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1yar h LEU 154 CO -0.14 -0.14 0.27 -0.37 -0.34 0.00 0.00 178.44 177.73 1yar h VAL 155 N -0.28 1.23 -0.41 1.05 -1.51 -1.19 0.15 116.25 115.30 1yar h VAL 155 Ca -0.03 -0.69 -0.02 0.00 -1.23 0.00 0.00 66.70 64.74 1yar h VAL 155 Cb 0.21 0.43 -0.02 0.00 -2.13 0.00 0.00 31.29 29.78 1yar h VAL 155 CO 0.04 0.28 0.20 0.40 -1.23 0.00 0.00 177.57 177.26 1yar h ILE 156 N 0.94 1.17 -0.59 7.19 2.04 -1.18 -0.09 117.51 126.99 1yar h ILE 156 Ca 0.22 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.60 1yar h ILE 156 Cb 0.16 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1yar h ILE 156 CO -0.02 0.19 0.39 0.03 0.00 0.00 0.00 178.15 178.74 1yar h ARG 157 N 0.52 0.77 0.19 2.37 3.08 -0.38 -0.19 114.38 120.74 1yar h ARG 157 Ca 0.14 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1yar h ARG 157 Cb 0.12 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1yar h ARG 157 CO -0.02 0.51 -0.09 0.00 -1.07 0.00 0.00 179.97 179.30 1yar h ALA 158 N 1.22 -0.26 -0.39 0.04 0.00 -0.47 -1.55 119.26 117.85 1yar h ALA 158 Ca 0.22 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1yar h ALA 158 Cb -0.08 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1yar h ALA 158 CO -0.05 -0.59 -0.16 0.82 0.00 0.00 0.00 179.25 179.27 1yar h ILE 159 N -0.38 1.26 -0.95 0.00 2.04 -0.99 -1.46 117.51 117.04 1yar h ILE 159 Ca -0.03 -1.22 0.01 0.00 1.00 0.00 0.00 64.86 64.63 1yar h ILE 159 Cb 0.29 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 1yar h ILE 159 CO 0.04 0.41 0.63 0.28 0.00 0.00 0.00 178.15 179.51 1yar h SER 160 N 0.65 1.08 -0.49 1.72 0.02 -0.91 0.11 113.55 115.74 1yar h SER 160 Ca 0.10 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1yar h SER 160 Cb 0.63 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1yar h SER 160 CO 0.04 0.78 0.07 0.00 -1.14 0.00 0.00 176.83 176.59 1yar h ALA 161 N 1.41 0.65 -0.84 3.77 0.00 -0.89 -2.50 119.26 120.86 1yar h ALA 161 Ca 0.35 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1yar h ALA 161 Cb -0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1yar h ALA 161 CO -0.08 0.38 0.55 0.00 0.00 0.00 0.00 179.25 180.10 1yar h ALA 162 N 0.96 1.08 -0.03 0.00 0.00 -0.72 -2.41 119.26 118.13 1yar h ALA 162 Ca 0.15 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1yar h ALA 162 Cb 0.40 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1yar h ALA 162 CO 0.01 0.44 -0.19 0.87 0.00 0.00 0.00 179.25 180.38 1yar h LYS 163 N 1.11 0.05 0.00 0.00 1.57 -0.55 0.60 116.57 119.36 1yar h LYS 163 Ca 0.32 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.04 1yar h LYS 163 Cb -0.09 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1yar h LYS 163 CO -0.08 0.25 -0.20 1.96 -0.57 0.00 0.00 179.45 180.81 1yar h GLN 164 N 0.05 0.00 0.00 3.15 1.08 -0.99 -3.36 115.11 115.04 1yar h GLN 164 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1yar h GLN 164 Cb 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1yar h GLN 164 CO 0.03 0.20 -0.17 0.54 -0.95 0.00 0.00 178.83 178.48 1yar n ARG 165 N -3.66 5.05 -3.97 1.46 5.12 -0.80 -4.95 116.66 114.92 1yar n ARG 165 Ca -0.01 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.57 1yar n ARG 165 Cb 0.32 -0.53 -0.14 0.00 -1.16 0.00 0.00 32.46 30.95 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 -1.03 4.73 0.07 0.55 2.15 0.14 -4.98 116.67 118.30 1yar s ASP 166 Ca 0.00 -1.46 0.18 0.00 0.43 0.00 0.00 52.55 51.69 1yar s ASP 166 Cb 0.00 -1.65 0.75 0.00 -0.30 0.00 0.00 42.92 41.72 1yar s ASP 166 CO 0.00 -0.27 1.56 -1.54 -0.17 0.00 0.00 175.17 174.75 1yar n SER 167 N 4.51 0.18 -0.53 -0.34 3.41 -1.26 -1.63 113.62 117.96 1yar n SER 167 Ca -0.11 0.54 0.11 0.00 -0.26 0.00 0.00 58.87 59.15 1yar n SER 167 Cb 0.43 -0.58 0.40 0.00 -0.26 0.00 0.00 64.21 64.20 1yar n SER 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yar n ALA 168 N -1.57 2.53 -2.45 7.33 0.00 -1.26 -4.83 120.51 120.26 1yar n ALA 168 Ca 0.03 -0.50 -0.30 0.00 0.00 0.00 0.00 53.44 52.67 1yar n ALA 168 Cb 0.20 -1.10 -0.12 0.00 0.00 0.00 0.00 19.45 18.42 1yar n ALA 168 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1yar s SER 169 N -1.62 3.74 0.00 0.00 0.01 -0.64 -1.43 113.70 113.76 1yar s SER 169 Ca 0.33 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1yar s SER 169 Cb 0.18 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.86 1yar s SER 169 CO 0.27 0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.76 1yar n GLY 170 N 1.34 -0.60 2.94 3.44 0.00 -1.26 -4.80 105.19 106.25 1yar n GLY 170 Ca -0.16 -1.08 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 -0.35 -2.21 3.77 -0.02 0.00 -1.26 -1.47 105.19 103.65 1yar n GLY 171 Ca 0.00 -1.74 -0.38 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 -0.23 4.09 0.15 1.61 -2.45 -1.26 -4.67 119.30 116.55 1yar s MET 172 Ca 0.00 1.78 -0.28 0.00 -1.25 0.00 0.00 55.69 55.94 1yar s MET 172 Cb 0.00 -2.67 -0.07 0.00 1.25 0.00 0.00 34.83 33.34 1yar s MET 172 CO 0.00 -0.27 0.86 0.42 1.05 0.00 0.00 175.02 177.09 1yar s ILE 173 N -1.45 4.39 -0.16 10.11 1.01 -1.26 -3.88 121.20 129.96 1yar s ILE 173 Ca 0.57 1.88 -0.01 0.00 0.00 0.00 0.00 60.65 63.09 1yar s ILE 173 Cb -0.29 -4.23 -0.01 0.00 0.01 0.00 0.00 42.46 37.94 1yar s ILE 173 CO 0.37 0.44 -0.11 -0.62 0.00 0.00 0.00 174.94 175.01 1yar s ASP 174 N -0.67 4.00 -0.02 3.58 -1.08 0.06 -4.99 116.67 117.55 1yar s ASP 174 Ca 0.40 -0.38 0.04 0.00 -0.52 0.00 0.00 52.55 52.10 1yar s ASP 174 Cb -0.23 -1.63 -0.01 0.00 -1.46 0.00 0.00 42.92 39.58 1yar s ASP 174 CO 0.28 0.10 -0.15 -0.69 0.52 0.00 0.00 175.17 175.22 1yar s VAL 175 N 0.76 1.23 -0.01 1.11 1.01 -1.26 -1.32 120.40 121.93 1yar s VAL 175 Ca -0.05 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.34 1yar s VAL 175 Cb -0.15 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1yar s VAL 175 CO 0.01 0.35 -0.16 0.00 0.00 0.00 0.00 175.10 175.30 1yar s ALA 176 N -0.21 1.34 -0.10 5.51 0.00 0.98 -0.70 121.76 128.58 1yar s ALA 176 Ca 0.03 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.29 1yar s ALA 176 Cb -0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 1yar s ALA 176 CO 0.00 0.32 -0.16 0.08 0.00 0.00 0.00 175.76 176.00 1yar s VAL 177 N -0.43 2.82 -0.19 0.00 1.01 0.02 -0.85 120.40 122.78 1yar s VAL 177 Ca 0.06 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 1yar s VAL 177 Cb -0.06 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1yar s VAL 177 CO -0.00 0.55 -0.14 -0.63 0.00 0.00 0.00 175.10 174.87 1yar s ILE 178 N 0.03 2.53 0.10 2.22 1.01 0.11 -1.18 121.20 126.03 1yar s ILE 178 Ca -0.06 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.85 1yar s ILE 178 Cb -0.15 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 1yar s ILE 178 CO 0.05 0.50 -0.10 0.42 0.00 0.00 0.00 174.94 175.80 1yar s THR 179 N 1.34 0.98 0.20 2.92 -4.23 -0.74 -1.70 115.64 114.41 1yar s THR 179 Ca 0.05 -1.69 -0.11 0.00 -1.18 0.00 0.00 61.69 58.76 1yar s THR 179 Cb -0.13 -1.42 0.12 0.00 1.34 0.00 0.00 72.50 72.40 1yar s THR 179 CO -0.09 -0.57 1.81 -0.09 -0.54 0.00 0.00 174.62 175.14 1yar h ARG 180 N 3.48 0.63 -0.26 3.99 9.65 -1.87 0.43 114.38 130.44 1yar h ARG 180 Ca -0.37 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.46 1yar h ARG 180 Cb 1.19 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.61 1yar h ARG 180 CO 0.54 0.42 0.12 -0.22 2.80 0.00 0.00 179.97 183.63 1yar h LYS 181 N 0.65 0.38 -0.00 0.20 3.64 -1.96 -3.34 116.57 116.14 1yar h LYS 181 Ca 0.26 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1yar h LYS 181 Cb 0.13 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1yar h LYS 181 CO -0.15 0.39 -0.26 -0.25 -2.27 0.00 0.00 179.45 176.91 1yar n ASP 182 N -4.79 0.77 0.00 4.20 8.00 -1.21 -5.10 116.55 118.41 1yar n ASP 182 Ca -0.03 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.59 1yar n ASP 182 Cb 0.11 0.71 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 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 0.98 -0.53 3.65 0.44 0.00 0.15 -4.64 105.19 105.24 1yar n GLY 183 Ca 0.03 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 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 3.29 -0.20 1.61 6.14 -1.18 -1.79 117.35 125.22 1yar s TYR 184 Ca 0.00 1.35 0.00 0.00 0.64 0.00 0.00 57.07 59.06 1yar s TYR 184 Cb 0.00 -3.33 0.05 0.00 0.42 0.00 0.00 41.96 39.09 1yar s TYR 184 CO 0.00 -0.54 -0.07 0.08 0.64 0.00 0.00 175.55 175.66 1yar s VAL 185 N 3.25 1.43 -0.12 3.14 1.01 -0.32 -5.01 120.40 123.78 1yar s VAL 185 Ca 0.43 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 61.18 1yar s VAL 185 Cb -0.14 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 1yar s VAL 185 CO 0.08 0.08 0.96 -1.58 0.00 0.00 0.00 175.10 174.64 1yar s GLN 186 N 1.47 4.39 0.25 2.72 0.74 -1.26 -0.79 119.66 127.18 1yar s GLN 186 Ca -0.02 1.28 -0.30 0.00 0.05 0.00 0.00 55.36 56.38 1yar s GLN 186 Cb -0.17 -3.55 -0.09 0.00 1.10 0.00 0.00 33.01 30.30 1yar s GLN 186 CO -0.08 -0.31 1.28 -0.51 -0.55 0.00 0.00 175.29 175.12 1yar s LEU 187 N 2.02 4.44 0.47 3.68 1.43 0.12 -4.97 118.68 125.87 1yar s LEU 187 Ca 0.45 2.47 -0.24 0.00 -1.03 0.00 0.00 54.13 55.78 1yar s LEU 187 Cb -0.18 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.35 1yar s LEU 187 CO 0.16 -0.48 1.37 -2.84 0.23 0.00 0.00 176.35 174.80 1yar s PRO 188 N -0.80 3.60 0.32 1.29 0.02 -1.26 -4.71 135.00 133.46 1yar s PRO 188 Ca 0.53 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.83 1yar s PRO 188 Cb -0.37 -2.55 0.55 0.00 0.02 0.00 0.00 34.50 32.15 1yar s PRO 188 CO 0.43 -0.84 1.97 1.15 -0.33 0.00 0.00 177.00 179.39 1yar h THR 189 N 2.08 1.16 -0.53 0.99 2.02 -1.95 -1.92 112.91 114.77 1yar h THR 189 Ca -0.51 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 1yar h THR 189 Cb 1.27 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1yar h THR 189 CO 0.60 0.18 0.28 -2.24 0.37 0.00 0.00 175.52 174.71 1yar h ASP 190 N 0.99 0.64 -0.48 4.18 3.04 -1.99 -0.41 116.42 122.39 1yar h ASP 190 Ca 0.29 -0.05 -0.08 0.00 -3.24 0.00 0.00 57.03 53.96 1yar h ASP 190 Cb -0.04 -0.16 -0.02 0.00 -1.04 0.00 0.00 39.33 38.07 1yar h ASP 190 CO -0.08 0.53 0.00 -0.61 -2.04 0.00 0.00 179.24 177.04 1yar h GLN 191 N 0.73 0.85 -0.19 4.15 4.15 -1.73 -1.58 115.11 121.49 1yar h GLN 191 Ca 0.19 -0.27 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 1yar h GLN 191 Cb 0.03 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 1yar h GLN 191 CO -0.03 0.89 0.06 0.82 -1.93 0.00 0.00 178.83 178.64 1yar h ILE 192 N 0.70 1.19 -0.98 2.39 1.08 -1.12 -1.88 117.51 118.90 1yar h ILE 192 Ca 0.14 -0.60 0.10 0.00 -0.39 0.00 0.00 64.86 64.10 1yar h ILE 192 Cb 0.51 1.23 -0.08 0.00 -3.07 0.00 0.00 36.82 35.41 1yar h ILE 192 CO 0.02 0.19 0.62 -0.33 -0.69 0.00 0.00 178.15 177.96 1yar h GLU 193 N 0.13 1.01 -0.51 2.37 5.08 -1.06 0.13 114.58 121.73 1yar h GLU 193 Ca 0.06 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1yar h GLU 193 Cb 0.24 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1yar h GLU 193 CO -0.00 0.67 -0.13 1.03 -1.00 0.00 0.00 179.01 179.57 1yar h SER 194 N 1.04 0.99 -0.44 1.42 0.87 -1.11 -1.58 113.55 114.74 1yar h SER 194 Ca 0.46 -0.33 -0.11 0.00 -1.23 0.00 0.00 61.79 60.58 1yar h SER 194 Cb 0.35 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1yar h SER 194 CO -0.23 1.11 -0.13 0.03 -0.53 0.00 0.00 176.83 177.08 1yar h ARG 195 N 0.87 0.91 -0.42 2.24 3.08 -0.48 -1.13 114.38 119.46 1yar h ARG 195 Ca 0.13 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 1yar h ARG 195 Cb 0.69 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1yar h ARG 195 CO 0.05 0.99 0.25 0.82 -1.07 0.00 0.00 179.97 181.01 1yar h ILE 196 N 0.81 1.14 0.34 2.04 2.04 -0.77 0.69 117.51 123.81 1yar h ILE 196 Ca 0.13 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1yar h ILE 196 Cb 0.67 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1yar h ILE 196 CO 0.05 0.15 -0.16 -0.09 0.00 0.00 0.00 178.15 178.09 1yar h ARG 197 N 0.56 -0.44 -0.56 2.37 2.43 -1.21 -1.12 114.38 116.41 1yar h ARG 197 Ca 0.15 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.39 1yar h ARG 197 Cb 0.02 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1yar h ARG 197 CO -0.03 -0.28 0.37 -0.22 -1.51 0.00 0.00 179.97 178.30 1yar h LYS 198 N -0.47 0.58 -0.00 0.20 3.64 -1.04 -1.31 116.57 118.17 1yar h LYS 198 Ca -0.05 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1yar h LYS 198 Cb 0.36 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1yar h LYS 198 CO 0.08 0.38 -0.12 1.28 -2.27 0.00 0.00 179.45 178.80 1yar n LEU 199 N -4.47 0.14 -1.53 5.20 4.77 0.22 -4.95 117.00 116.37 1yar n LEU 199 Ca 0.07 0.35 -0.05 0.00 -0.03 0.00 0.00 56.01 56.35 1yar n LEU 199 Cb 0.18 -0.42 0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1yar n LEU 199 CO 0.35 0.03 0.04 0.61 -1.33 0.00 0.00 177.39 177.09 1yar n GLY 200 N 1.48 0.34 0.00 -0.72 0.00 -0.50 -5.07 105.19 100.72 1yar n GLY 200 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1yar n GLY 200 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yar n LEU 201 N -1.78 0.00 -4.21 0.99 4.77 -0.49 -5.05 117.00 111.23 1yar n LEU 201 Ca -0.05 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.81 1yar n LEU 201 Cb 0.54 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 1yar n LEU 201 CO 0.16 -0.05 -0.35 -0.63 -1.33 0.00 0.00 177.39 175.19 1yar s ILE 202 N 0.85 0.67 0.00 -0.08 1.01 -1.26 -4.81 121.20 117.57 1yar s ILE 202 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 60.65 58.69 1yar s ILE 202 Cb 0.00 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.54 1yar s ILE 202 CO 0.00 -0.64 0.00 -0.11 0.00 0.00 0.00 174.94 174.19