#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gui s THR 6 N 0.00 2.11 -0.15 7.28 -4.23 -1.26 -5.12 115.64 114.26 2gui s THR 6 Ca 0.00 -1.07 -0.08 0.00 -1.18 0.00 0.00 61.69 59.36 2gui s THR 6 Cb 0.00 -1.74 -0.04 0.00 1.34 0.00 0.00 72.50 72.05 2gui s THR 6 CO 0.00 0.58 0.11 -0.13 -0.54 0.00 0.00 174.62 174.64 2gui s ARG 7 N -0.43 3.75 -0.07 3.99 0.52 -1.26 -4.30 118.95 121.14 2gui s ARG 7 Ca 0.05 -0.22 -0.07 0.00 -0.52 0.00 0.00 55.73 54.97 2gui s ARG 7 Cb -0.12 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.07 2gui s ARG 7 CO 0.01 0.53 0.19 -0.65 0.02 0.00 0.00 175.30 175.40 2gui s GLN 8 N -0.31 3.51 -0.20 3.54 -0.21 0.14 -1.42 119.66 124.70 2gui s GLN 8 Ca 0.11 -0.09 0.01 0.00 0.02 0.00 0.00 55.36 55.40 2gui s GLN 8 Cb -0.12 -3.17 0.05 0.00 1.00 0.00 0.00 33.01 30.77 2gui s GLN 8 CO 0.01 0.74 -0.08 0.42 -2.12 0.00 0.00 175.29 174.26 2gui s ILE 9 N -1.11 1.51 -0.21 1.08 -1.09 0.48 -1.08 121.20 120.77 2gui s ILE 9 Ca 0.19 -0.97 -0.19 0.00 -2.23 0.00 0.00 60.65 57.45 2gui s ILE 9 Cb -0.13 -1.64 -0.03 0.00 -1.58 0.00 0.00 42.46 39.09 2gui s ILE 9 CO 0.09 0.11 0.57 -0.69 -1.23 0.00 0.00 174.94 173.79 2gui s VAL 10 N 1.45 5.05 0.02 2.92 1.01 0.21 -0.80 120.40 130.26 2gui s VAL 10 Ca -0.02 1.06 0.04 0.00 0.00 0.00 0.00 61.98 63.06 2gui s VAL 10 Cb -0.17 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 2gui s VAL 10 CO -0.08 0.12 -0.11 -0.22 0.00 0.00 0.00 175.10 174.81 2gui s LEU 11 N 1.92 2.13 0.05 3.92 0.20 -0.45 -0.47 118.68 125.98 2gui s LEU 11 Ca 0.26 -0.37 -0.02 0.00 0.69 0.00 0.00 54.13 54.69 2gui s LEU 11 Cb -0.16 -0.49 -0.03 0.00 -0.43 0.00 0.00 46.19 45.08 2gui s LEU 11 CO 0.10 0.03 0.01 -0.62 -0.29 0.00 0.00 176.35 175.57 2gui s ASP 12 N -0.87 0.36 0.11 3.68 2.15 0.27 -4.47 116.67 117.89 2gui s ASP 12 Ca 0.01 -0.79 0.04 0.00 0.43 0.00 0.00 52.55 52.24 2gui s ASP 12 Cb -0.07 0.20 -0.04 0.00 -0.30 0.00 0.00 42.92 42.71 2gui s ASP 12 CO 0.01 -0.54 -0.11 0.42 -0.17 0.00 0.00 175.17 174.78 2gui s THR 13 N -3.21 1.06 0.15 1.71 -4.23 -1.26 -1.06 115.64 108.80 2gui s THR 13 Ca 0.00 -1.68 0.08 0.00 -1.18 0.00 0.00 61.69 58.91 2gui s THR 13 Cb 0.03 -1.43 -0.04 0.00 1.34 0.00 0.00 72.50 72.40 2gui s THR 13 CO -0.07 -0.53 -0.09 -1.61 -0.54 0.00 0.00 174.62 171.78 2gui s GLU 14 N -2.80 2.10 0.30 3.99 0.41 -0.15 -4.80 118.70 117.76 2gui s GLU 14 Ca 0.07 -1.15 0.03 0.00 -0.41 0.00 0.00 54.97 53.51 2gui s GLU 14 Cb -0.03 -2.23 -0.04 0.00 -1.78 0.00 0.00 34.13 30.05 2gui s GLU 14 CO 0.01 0.47 0.17 0.95 -0.49 0.00 0.00 175.26 176.37 2gui s THR 15 N -1.48 0.25 -1.28 3.63 -4.23 -1.26 -0.16 115.64 111.11 2gui s THR 15 Ca 0.23 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.93 2gui s THR 15 Cb -0.10 -2.50 0.27 0.00 1.34 0.00 0.00 72.50 71.51 2gui s THR 15 CO 0.15 0.00 1.58 0.35 -0.54 0.00 0.00 174.62 176.16 2gui n THR 16 N -0.57 0.54 -0.22 3.99 -2.24 -0.26 -4.78 114.28 110.74 2gui n THR 16 Ca 0.02 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2gui n THR 16 Cb 0.65 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 2gui n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gui n GLY 17 N 0.34 0.73 3.51 3.38 0.00 -1.26 -0.47 105.19 111.42 2gui n GLY 17 Ca 0.07 -1.67 -0.08 0.00 0.00 0.00 0.00 46.02 44.34 2gui n GLY 17 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2gui s MET 18 N -2.00 0.89 -0.11 1.61 0.23 -1.26 -4.85 119.30 113.81 2gui s MET 18 Ca 0.00 -0.34 -0.10 0.00 -1.03 0.00 0.00 55.69 54.22 2gui s MET 18 Cb 0.00 0.40 -0.05 0.00 -1.53 0.00 0.00 34.83 33.66 2gui s MET 18 CO 0.00 -0.39 0.21 -0.80 -2.03 0.00 0.00 175.02 172.01 2gui s ASN 19 N -2.54 6.45 0.17 -1.18 0.01 0.57 -4.98 114.94 113.44 2gui s ASN 19 Ca 0.05 0.53 0.26 0.00 -0.71 0.00 0.00 52.86 52.99 2gui s ASN 19 Cb -0.01 -2.12 0.66 0.00 0.41 0.00 0.00 41.25 40.18 2gui s ASN 19 CO -0.09 0.32 1.61 0.00 -1.51 0.00 0.00 177.10 177.44 2gui n GLN 20 N 2.38 0.26 -4.43 -0.60 1.13 -1.26 -4.41 117.38 110.44 2gui n GLN 20 Ca -0.17 0.16 -0.20 0.00 -1.94 0.00 0.00 57.00 54.85 2gui n GLN 20 Cb 0.54 -1.75 -0.14 0.00 0.11 0.00 0.00 30.24 29.00 2gui n GLN 20 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2gui s ILE 21 N -3.12 0.92 0.00 5.09 1.01 -1.26 -5.09 121.20 118.76 2gui s ILE 21 Ca 0.09 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.11 2gui s ILE 21 Cb 0.13 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.80 2gui s ILE 21 CO 0.64 0.16 0.00 0.61 0.00 0.00 0.00 174.94 176.35 2gui n GLY 22 N 2.52 -0.76 3.67 6.18 0.00 -1.26 -4.70 105.19 110.85 2gui n GLY 22 Ca -0.15 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 2gui n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gui n ALA 23 N 1.71 1.83 0.30 4.61 0.00 -1.26 -4.84 120.51 122.85 2gui n ALA 23 Ca 0.00 0.25 0.18 0.00 0.00 0.00 0.00 53.44 53.87 2gui n ALA 23 Cb 0.00 -2.65 0.79 0.00 0.00 0.00 0.00 19.45 17.59 2gui n ALA 23 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2gui h HIS 24 N 9.75 0.00 0.00 0.00 2.07 -1.84 -2.92 115.15 122.21 2gui h HIS 24 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 2gui h HIS 24 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 2gui h HIS 24 CO 0.89 0.00 -1.58 2.48 -3.07 0.00 0.00 177.93 176.65 2gui n TYR 25 N -3.01 0.00 -1.68 6.12 0.18 -1.26 -0.31 117.16 117.20 2gui n TYR 25 Ca -0.00 0.00 -0.46 0.00 1.88 0.00 0.00 57.90 59.32 2gui n TYR 25 Cb 0.24 -0.29 -0.04 0.00 -0.38 0.00 0.00 39.34 38.87 2gui n TYR 25 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87 2gui n GLU 26 N -1.94 2.37 -0.54 -3.48 4.07 -1.10 -0.65 120.64 119.37 2gui n GLU 26 Ca -0.01 0.86 0.00 0.00 -0.06 0.00 0.00 57.16 57.96 2gui n GLU 26 Cb 0.47 -2.70 0.00 0.00 -0.06 0.00 0.00 31.44 29.15 2gui n GLU 26 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2gui n GLY 27 N 4.04 1.41 3.90 8.31 0.00 -1.26 -4.86 105.19 116.73 2gui n GLY 27 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 2gui n GLY 27 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2gui s HIS 28 N -3.35 2.31 0.01 1.61 3.76 0.18 -5.08 115.29 114.74 2gui s HIS 28 Ca 0.00 -0.60 -0.02 0.00 -0.15 0.00 0.00 55.06 54.29 2gui s HIS 28 Cb 0.00 -2.11 -0.01 0.00 1.11 0.00 0.00 32.58 31.57 2gui s HIS 28 CO 0.00 -0.30 0.01 0.15 -0.85 0.00 0.00 174.74 173.75 2gui s LYS 29 N -4.21 0.32 0.11 1.40 -0.14 -1.26 -4.99 119.74 110.97 2gui s LYS 29 Ca 0.46 -0.50 -0.31 0.00 -1.36 0.00 0.00 55.97 54.26 2gui s LYS 29 Cb -0.03 0.12 -0.07 0.00 -1.68 0.00 0.00 37.83 36.17 2gui s LYS 29 CO 0.27 -0.06 1.24 0.42 -0.76 0.00 0.00 175.35 176.46 2gui s ILE 30 N -1.31 3.73 -0.32 2.17 1.01 -1.26 -1.10 121.20 124.12 2gui s ILE 30 Ca -0.14 1.30 0.07 0.00 0.00 0.00 0.00 60.65 61.87 2gui s ILE 30 Cb -0.09 -3.83 -0.07 0.00 0.01 0.00 0.00 42.46 38.48 2gui s ILE 30 CO -0.00 0.13 0.29 2.30 0.00 0.00 0.00 174.94 177.66 2gui n ILE 31 N 3.53 0.00 -3.67 2.92 -5.35 0.77 -4.65 119.36 112.91 2gui n ILE 31 Ca 0.08 -0.34 -0.11 0.00 -0.27 0.00 0.00 62.75 62.11 2gui n ILE 31 Cb 0.45 0.99 -0.08 0.00 -1.74 0.00 0.00 39.64 39.26 2gui n ILE 31 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2gui s GLU 32 N -1.65 0.64 -0.07 6.28 2.12 -0.92 -0.38 118.70 124.71 2gui s GLU 32 Ca 0.03 0.91 0.05 0.00 0.36 0.00 0.00 54.97 56.32 2gui s GLU 32 Cb 0.05 0.22 -0.01 0.00 0.26 0.00 0.00 34.13 34.66 2gui s GLU 32 CO 0.28 -0.11 -0.24 0.42 -0.54 0.00 0.00 175.26 175.06 2gui s ILE 33 N 0.83 2.03 -0.03 -3.70 1.01 0.21 -0.98 121.20 120.57 2gui s ILE 33 Ca -0.04 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.59 2gui s ILE 33 Cb -0.05 -1.73 0.02 0.00 0.01 0.00 0.00 42.46 40.71 2gui s ILE 33 CO -0.07 0.56 -0.04 -0.83 0.00 0.00 0.00 174.94 174.56 2gui s GLY 34 N 0.04 0.38 -0.14 6.18 0.00 -0.22 -1.46 107.32 112.10 2gui s GLY 34 Ca -0.09 -0.06 -0.11 0.00 0.00 0.00 0.00 44.72 44.46 2gui s GLY 34 CO 0.06 0.32 0.35 0.00 0.00 0.00 0.00 173.10 173.82 2gui s ALA 35 N 0.69 -0.87 -0.03 3.20 0.00 0.25 -0.57 121.76 124.43 2gui s ALA 35 Ca -0.09 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.02 2gui s ALA 35 Cb -0.12 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 2gui s ALA 35 CO -0.00 -0.19 -0.16 0.14 0.00 0.00 0.00 175.76 175.55 2gui s VAL 36 N 0.57 1.35 -0.04 0.00 -7.23 0.38 -0.77 120.40 114.65 2gui s VAL 36 Ca -0.03 -0.68 -0.18 0.00 -1.81 0.00 0.00 61.98 59.27 2gui s VAL 36 Cb -0.05 -1.15 -0.05 0.00 0.56 0.00 0.00 36.38 35.69 2gui s VAL 36 CO -0.03 0.39 0.51 -0.70 -0.31 0.00 0.00 175.10 174.95 2gui s GLU 37 N -0.06 4.23 -0.10 4.82 2.12 -1.23 -0.62 118.70 127.85 2gui s GLU 37 Ca -0.01 0.56 0.01 0.00 0.36 0.00 0.00 54.97 55.89 2gui s GLU 37 Cb -0.10 -3.34 0.02 0.00 0.26 0.00 0.00 34.13 30.96 2gui s GLU 37 CO 0.01 0.38 -0.14 0.08 -0.54 0.00 0.00 175.26 175.05 2gui s VAL 38 N -0.13 1.37 -0.05 3.70 1.01 -0.24 -1.63 120.40 124.43 2gui s VAL 38 Ca 0.27 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.71 2gui s VAL 38 Cb -0.17 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 34.96 2gui s VAL 38 CO 0.14 0.42 -0.09 -0.69 0.00 0.00 0.00 175.10 174.87 2gui s VAL 39 N 1.03 0.87 -1.46 2.92 1.01 0.03 -0.69 120.40 124.12 2gui s VAL 39 Ca -0.06 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 2gui s VAL 39 Cb -0.15 -0.81 0.03 0.00 0.00 0.00 0.00 36.38 35.45 2gui s VAL 39 CO -0.02 0.29 0.52 0.59 0.00 0.00 0.00 175.10 176.48 2gui n ASN 40 N 3.72 -1.08 -1.60 3.32 3.02 -1.26 -1.23 115.26 120.15 2gui n ASN 40 Ca -0.22 -0.99 -0.19 0.00 -0.03 0.00 0.00 54.58 53.15 2gui n ASN 40 Cb 0.52 -3.09 -0.06 0.00 -0.61 0.00 0.00 39.78 36.54 2gui n ASN 40 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2gui n ARG 41 N -4.41 -1.35 -4.59 3.52 1.74 -1.26 -4.98 116.66 105.33 2gui n ARG 41 Ca -0.23 1.10 -0.23 0.00 -0.77 0.00 0.00 57.85 57.72 2gui n ARG 41 Cb 0.65 -5.45 -0.16 0.00 -1.02 0.00 0.00 32.46 26.47 2gui n ARG 41 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2gui s ARG 42 N -3.91 1.41 0.18 5.56 1.81 -0.37 -5.09 118.95 118.55 2gui s ARG 42 Ca 0.00 -0.43 -0.32 0.00 -1.72 0.00 0.00 55.73 53.26 2gui s ARG 42 Cb 0.00 -1.24 -0.10 0.00 -0.45 0.00 0.00 34.95 33.15 2gui s ARG 42 CO 0.00 0.14 1.59 -0.51 -0.68 0.00 0.00 175.30 175.84 2gui s LEU 43 N 0.26 4.37 0.24 2.53 1.43 -1.26 -0.79 118.68 125.46 2gui s LEU 43 Ca -0.06 2.67 0.21 0.00 -1.03 0.00 0.00 54.13 55.92 2gui s LEU 43 Cb -0.11 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.57 2gui s LEU 43 CO 0.02 -0.85 1.18 0.71 0.23 0.00 0.00 176.35 177.64 2gui h THR 44 N 3.94 0.18 0.00 5.49 1.35 -1.65 -3.47 112.91 118.75 2gui h THR 44 Ca -0.43 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 2gui h THR 44 Cb 1.20 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 2gui h THR 44 CO 0.91 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 176.90 2gui n GLY 45 N 1.21 1.23 3.38 5.82 0.00 -1.26 -5.00 105.19 110.57 2gui n GLY 45 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 2gui n GLY 45 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2gui s ASN 46 N -3.13 6.25 0.50 1.61 3.84 -1.26 -5.00 114.94 117.75 2gui s ASN 46 Ca 0.00 -1.55 0.05 0.00 0.21 0.00 0.00 52.86 51.56 2gui s ASN 46 Cb 0.00 -2.30 0.00 0.00 -0.55 0.00 0.00 41.25 38.40 2gui s ASN 46 CO 0.00 -1.08 0.23 0.20 -2.79 0.00 0.00 177.10 173.66 2gui s ASN 47 N 3.54 4.43 -0.04 -4.21 0.01 -1.26 -3.56 114.94 113.85 2gui s ASN 47 Ca 0.13 -1.34 0.01 0.00 -0.71 0.00 0.00 52.86 50.96 2gui s ASN 47 Cb -0.22 0.25 0.02 0.00 0.41 0.00 0.00 41.25 41.71 2gui s ASN 47 CO 0.04 -0.90 -0.04 0.12 -1.51 0.00 0.00 177.10 174.82 2gui s PHE 48 N -2.77 0.69 -0.22 2.20 5.36 0.05 -5.00 117.98 118.29 2gui s PHE 48 Ca 0.27 -0.18 -0.05 0.00 -0.96 0.00 0.00 56.93 56.00 2gui s PHE 48 Cb 0.00 -0.64 0.11 0.00 -0.34 0.00 0.00 43.02 42.16 2gui s PHE 48 CO 0.16 -0.19 0.43 -1.58 -1.46 0.00 0.00 175.22 172.57 2gui s HIS 49 N 0.97 -0.88 0.01 10.12 5.65 -1.26 -0.59 115.29 129.31 2gui s HIS 49 Ca -0.10 1.34 0.01 0.00 0.25 0.00 0.00 55.06 56.56 2gui s HIS 49 Cb -0.14 0.25 -0.01 0.00 -1.18 0.00 0.00 32.58 31.50 2gui s HIS 49 CO -0.00 -0.59 -0.03 0.14 -0.65 0.00 0.00 174.74 173.60 2gui s VAL 50 N 2.62 0.23 -0.01 0.89 -7.23 -0.54 -5.00 120.40 111.36 2gui s VAL 50 Ca 0.04 -0.46 -0.03 0.00 -1.81 0.00 0.00 61.98 59.72 2gui s VAL 50 Cb -0.13 -0.26 -0.04 0.00 0.56 0.00 0.00 36.38 36.50 2gui s VAL 50 CO -0.14 -0.15 0.20 -0.31 -0.31 0.00 0.00 175.10 174.38 2gui s TYR 51 N -0.61 3.55 0.05 2.82 2.02 -1.26 -0.62 117.35 123.30 2gui s TYR 51 Ca -0.05 0.40 0.07 0.00 -0.37 0.00 0.00 57.07 57.11 2gui s TYR 51 Cb -0.05 -1.86 -0.03 0.00 -0.40 0.00 0.00 41.96 39.63 2gui s TYR 51 CO -0.00 0.64 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.92 2gui s LEU 52 N -1.91 2.18 -0.34 -1.29 1.43 0.48 -4.01 118.68 115.22 2gui s LEU 52 Ca 0.27 -0.52 -0.28 0.00 -1.03 0.00 0.00 54.13 52.57 2gui s LEU 52 Cb -0.13 -0.86 0.02 0.00 0.03 0.00 0.00 46.19 45.25 2gui s LEU 52 CO 0.18 0.11 1.02 -0.75 0.23 0.00 0.00 176.35 177.14 2gui s LYS 53 N -1.25 3.97 0.20 1.70 2.20 0.25 -4.61 119.74 122.20 2gui s LYS 53 Ca 0.06 0.87 0.23 0.00 -0.36 0.00 0.00 55.97 56.77 2gui s LYS 53 Cb -0.09 -3.77 0.24 0.00 -1.51 0.00 0.00 37.83 32.70 2gui s LYS 53 CO 0.02 -0.93 1.28 -1.00 -0.36 0.00 0.00 175.35 174.35 2gui h PRO 54 N 8.28 0.00 -0.63 4.03 0.13 -1.84 -3.42 132.00 138.54 2gui h PRO 54 Ca -0.22 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.64 2gui h PRO 54 Cb 1.07 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.09 2gui h PRO 54 CO 1.02 0.00 -0.25 -0.40 -0.23 0.00 0.00 178.00 178.14 2gui n ASP 55 N -2.46 -5.68 -4.16 1.44 5.68 -1.26 -4.95 116.55 105.16 2gui n ASP 55 Ca 0.02 0.33 -0.11 0.00 -0.50 0.00 0.00 54.79 54.54 2gui n ASP 55 Cb 0.49 -4.36 -0.10 0.00 -1.14 0.00 0.00 41.12 36.02 2gui n ASP 55 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gui s ARG 56 N -3.13 1.08 0.44 0.11 1.70 -1.26 -5.16 118.95 112.73 2gui s ARG 56 Ca 0.00 -1.51 -0.17 0.00 -0.47 0.00 0.00 55.73 53.58 2gui s ARG 56 Cb 0.00 0.27 -0.09 0.00 -0.57 0.00 0.00 34.95 34.56 2gui s ARG 56 CO 0.00 -0.34 0.91 -0.51 -1.08 0.00 0.00 175.30 174.28 2gui s LEU 57 N -3.09 3.84 0.06 -1.89 1.43 -1.26 -5.04 118.68 112.72 2gui s LEU 57 Ca 0.30 1.52 -0.30 0.00 -1.03 0.00 0.00 54.13 54.62 2gui s LEU 57 Cb 0.07 -4.40 -0.05 0.00 0.03 0.00 0.00 46.19 41.84 2gui s LEU 57 CO 0.07 -0.42 1.13 -0.69 0.23 0.00 0.00 176.35 176.67 2gui s VAL 58 N -2.33 4.23 0.34 -1.59 1.01 -1.26 -4.89 120.40 115.92 2gui s VAL 58 Ca 0.58 1.63 -0.28 0.00 0.00 0.00 0.00 61.98 63.91 2gui s VAL 58 Cb -0.10 -4.05 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 2gui s VAL 58 CO 0.22 0.14 1.32 -1.81 0.00 0.00 0.00 175.10 174.98 2gui s ASP 59 N 0.92 6.71 0.29 3.32 1.01 0.38 -4.83 116.67 124.47 2gui s ASP 59 Ca 0.56 2.73 0.03 0.00 0.71 0.00 0.00 52.55 56.57 2gui s ASP 59 Cb -0.27 -2.65 0.72 0.00 1.01 0.00 0.00 42.92 41.73 2gui s ASP 59 CO 0.29 -0.58 1.67 -0.65 0.21 0.00 0.00 175.17 176.11 2gui h PRO 60 N 3.31 0.27 -0.21 8.23 0.11 -1.95 -0.57 132.00 141.20 2gui h PRO 60 Ca -0.49 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.63 2gui h PRO 60 Cb 1.23 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2gui h PRO 60 CO 0.65 0.18 0.05 1.49 -0.21 0.00 0.00 178.00 180.16 2gui h GLU 61 N 0.28 0.14 -0.71 1.05 4.81 -1.94 0.58 114.58 118.79 2gui h GLU 61 Ca 0.55 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.78 2gui h GLU 61 Cb 1.10 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 2gui h GLU 61 CO -0.60 0.09 0.47 0.00 -0.73 0.00 0.00 179.01 178.24 2gui h ALA 62 N 1.14 0.90 -0.49 2.92 0.00 -1.53 -1.22 119.26 120.98 2gui h ALA 62 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2gui h ALA 62 Cb 0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2gui h ALA 62 CO -0.11 0.32 0.32 0.35 0.00 0.00 0.00 179.25 180.13 2gui h PHE 63 N 0.96 0.62 0.00 0.00 3.57 -0.65 -0.63 116.94 120.81 2gui h PHE 63 Ca 0.26 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 2gui h PHE 63 Cb -0.11 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.42 2gui h PHE 63 CO -0.02 0.39 -0.05 0.78 -2.23 0.00 0.00 178.31 177.18 2gui h GLY 64 N 0.67 0.00 0.01 2.40 0.00 0.33 0.22 103.07 106.70 2gui h GLY 64 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.39 2gui h GLY 64 CO -0.04 0.00 -0.66 -2.08 0.00 0.00 0.00 176.54 173.76 2gui h VAL 65 N 0.00 1.34 0.00 4.60 2.07 -0.82 -3.43 116.25 120.02 2gui h VAL 65 Ca -0.00 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.26 2gui h VAL 65 Cb 0.10 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2gui h VAL 65 CO 0.01 0.46 -0.80 0.00 0.02 0.00 0.00 177.57 177.26 2gui n HIS 66 N -4.51 0.00 -1.38 1.57 -0.00 -0.61 -1.26 115.22 109.03 2gui n HIS 66 Ca -0.21 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.37 2gui n HIS 66 Cb 0.59 -0.08 -0.06 0.00 -0.00 0.00 0.00 29.99 30.44 2gui n HIS 66 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2gui n GLY 67 N 1.50 1.31 3.60 -1.39 0.00 0.76 -4.60 105.19 106.36 2gui n GLY 67 Ca 0.00 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2gui n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gui s ILE 68 N -2.26 4.56 0.32 -0.61 1.01 -1.26 -5.01 121.20 117.95 2gui s ILE 68 Ca 0.00 1.15 -0.26 0.00 0.00 0.00 0.00 60.65 61.54 2gui s ILE 68 Cb 0.00 -4.35 -0.10 0.00 0.01 0.00 0.00 42.46 38.02 2gui s ILE 68 CO 0.00 -0.58 0.94 0.00 0.00 0.00 0.00 174.94 175.29 2gui s ALA 69 N 3.54 3.22 0.26 9.38 0.00 -1.26 -4.86 121.76 132.04 2gui s ALA 69 Ca 0.38 0.52 -0.02 0.00 0.00 0.00 0.00 51.96 52.84 2gui s ALA 69 Cb -0.12 -3.17 0.56 0.00 0.00 0.00 0.00 23.12 20.39 2gui s ALA 69 CO 0.20 0.18 1.70 -0.44 0.00 0.00 0.00 175.76 177.39 2gui h ASP 70 N 3.20 0.17 -0.58 0.00 3.32 -1.95 -1.36 116.42 119.23 2gui h ASP 70 Ca -0.47 0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2gui h ASP 70 Cb 1.19 0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.87 2gui h ASP 70 CO 0.65 -0.00 0.37 -0.33 -1.72 0.00 0.00 179.24 178.21 2gui h GLU 71 N 0.35 0.77 0.00 3.56 3.07 -2.01 -1.88 114.58 118.44 2gui h GLU 71 Ca 0.47 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 59.24 2gui h GLU 71 Cb 0.82 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 28.56 2gui h GLU 71 CO -0.50 0.52 -0.16 0.35 -1.40 0.00 0.00 179.01 177.82 2gui h PHE 72 N 0.79 0.00 -0.00 4.33 3.57 -1.63 -2.74 116.94 121.26 2gui h PHE 72 Ca 0.21 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.71 2gui h PHE 72 Cb -0.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2gui h PHE 72 CO 0.00 0.16 -0.54 1.28 -2.23 0.00 0.00 178.31 176.98 2gui n LEU 73 N -3.71 0.62 -0.04 0.59 4.77 -0.71 -4.34 117.00 114.19 2gui n LEU 73 Ca -0.02 -0.09 0.06 0.00 -0.03 0.00 0.00 56.01 55.93 2gui n LEU 73 Cb 0.28 -0.21 0.44 0.00 -2.33 0.00 0.00 43.42 41.60 2gui n LEU 73 CO 0.32 0.15 1.17 -0.07 -1.33 0.00 0.00 177.39 177.63 2gui h LEU 74 N 0.13 0.46 -2.53 2.23 3.38 -1.47 -2.18 115.31 115.32 2gui h LEU 74 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2gui h LEU 74 Cb 0.50 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2gui h LEU 74 CO 0.00 0.32 0.00 -0.90 0.09 0.00 0.00 178.44 177.95 2gui n ASP 75 N -4.47 3.72 -4.91 -0.43 5.75 -1.26 -4.99 116.55 109.96 2gui n ASP 75 Ca 0.05 -2.00 -0.27 0.00 -0.01 0.00 0.00 54.79 52.56 2gui n ASP 75 Cb 0.15 -0.37 0.01 0.00 -1.03 0.00 0.00 41.12 39.89 2gui n ASP 75 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2gui s LYS 76 N -1.26 3.28 0.78 0.11 -0.14 -0.82 -5.05 119.74 116.64 2gui s LYS 76 Ca 0.44 0.17 -0.11 0.00 -1.36 0.00 0.00 55.97 55.12 2gui s LYS 76 Cb 0.24 -2.30 0.06 0.00 -1.68 0.00 0.00 37.83 34.16 2gui s LYS 76 CO 0.33 -0.46 1.10 -1.25 -0.76 0.00 0.00 175.35 174.30 2gui s PRO 77 N -4.90 2.18 0.57 -1.68 0.04 -1.26 -4.07 135.00 125.87 2gui s PRO 77 Ca 0.51 1.20 -0.07 0.00 0.04 0.00 0.00 61.00 62.67 2gui s PRO 77 Cb -0.10 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 2gui s PRO 77 CO 0.46 -1.71 0.91 0.95 0.04 0.00 0.00 177.00 177.65 2gui s THR 78 N -2.88 4.41 0.27 1.26 -4.23 -1.26 -0.58 115.64 112.63 2gui s THR 78 Ca 0.62 0.36 0.00 0.00 -1.18 0.00 0.00 61.69 61.48 2gui s THR 78 Cb -0.18 -3.73 0.26 0.00 1.34 0.00 0.00 72.50 70.19 2gui s THR 78 CO 0.56 -0.81 1.73 0.15 -0.54 0.00 0.00 174.62 175.70 2gui h PHE 79 N -0.10 0.65 -0.88 3.99 3.57 -1.92 -0.45 116.94 121.81 2gui h PHE 79 Ca -0.46 0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.20 2gui h PHE 79 Cb 1.22 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.73 2gui h PHE 79 CO 0.57 0.05 0.57 0.00 -2.23 0.00 0.00 178.31 177.27 2gui h ALA 80 N 1.62 1.75 0.00 2.41 0.00 -1.93 -0.15 119.26 122.96 2gui h ALA 80 Ca 0.49 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.36 2gui h ALA 80 Cb 0.82 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2gui h ALA 80 CO -0.44 0.03 -0.22 0.93 0.00 0.00 0.00 179.25 179.55 2gui h GLU 81 N 0.76 0.00 -0.00 0.00 5.08 -1.45 -3.20 114.58 115.77 2gui h GLU 81 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2gui h GLU 81 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2gui h GLU 81 CO -0.19 0.22 -0.71 1.33 -1.00 0.00 0.00 179.01 178.66 2gui n VAL 82 N -3.32 0.00 -0.33 3.13 0.24 -0.63 -4.71 118.33 112.71 2gui n VAL 82 Ca 0.01 -0.14 -0.04 0.00 -2.04 0.00 0.00 64.34 62.13 2gui n VAL 82 Cb 0.46 1.02 0.09 0.00 -1.47 0.00 0.00 33.84 33.94 2gui n VAL 82 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gui h ALA 83 N 2.29 1.17 0.02 2.33 0.00 -1.05 -0.18 119.26 123.84 2gui h ALA 83 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2gui h ALA 83 Cb 0.39 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2gui h ALA 83 CO 0.00 0.67 -0.01 -0.44 0.00 0.00 0.00 179.25 179.47 2gui h ASP 84 N 1.27 -0.03 -0.53 0.00 3.32 -1.84 -0.12 116.42 118.50 2gui h ASP 84 Ca 0.32 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 2gui h ASP 84 Cb 0.03 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2gui h ASP 84 CO -0.05 0.11 0.06 -0.08 -1.72 0.00 0.00 179.24 177.56 2gui h GLU 85 N -0.16 0.94 -0.32 3.56 4.81 -1.82 -0.48 114.58 121.11 2gui h GLU 85 Ca -0.00 -0.25 0.02 0.00 -0.13 0.00 0.00 59.36 59.00 2gui h GLU 85 Cb 0.15 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 2gui h GLU 85 CO 0.00 0.89 0.15 0.35 -0.73 0.00 0.00 179.01 179.68 2gui h PHE 86 N 0.88 0.27 -0.64 0.92 3.57 -0.83 0.72 116.94 121.83 2gui h PHE 86 Ca 0.17 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 2gui h PHE 86 Cb 0.44 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 2gui h PHE 86 CO 0.03 0.14 0.32 0.52 -2.23 0.00 0.00 178.31 177.09 2gui h MET 87 N 0.31 0.92 -0.55 1.11 2.86 -0.66 -1.13 114.93 117.80 2gui h MET 87 Ca 0.14 -0.13 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2gui h MET 87 Cb 0.06 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 2gui h MET 87 CO -0.10 0.72 0.36 -0.44 1.06 0.00 0.00 176.91 178.51 2gui h ASP 88 N 0.88 0.60 -0.16 1.22 3.32 -0.55 -0.08 116.42 121.65 2gui h ASP 88 Ca 0.22 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 2gui h ASP 88 Cb 0.10 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2gui h ASP 88 CO -0.03 0.42 -0.36 0.22 -1.72 0.00 0.00 179.24 177.77 2gui h TYR 89 N 0.70 0.68 0.00 4.55 3.20 -0.17 -3.35 116.97 122.58 2gui h TYR 89 Ca 0.21 -0.25 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 2gui h TYR 89 Cb -0.01 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 2gui h TYR 89 CO -0.00 0.99 -1.08 -0.84 -1.64 0.00 0.00 178.16 175.59 2gui h ILE 90 N 0.17 0.16 -1.56 1.81 3.07 -0.92 -3.47 117.51 116.77 2gui h ILE 90 Ca 0.00 -1.31 -0.70 0.00 1.55 0.00 0.00 64.86 64.40 2gui h ILE 90 Cb 0.96 1.68 0.05 0.00 -0.27 0.00 0.00 36.82 39.25 2gui h ILE 90 CO 0.08 0.09 0.43 -1.14 -1.05 0.00 0.00 178.15 176.56 2gui n ARG 91 N -2.76 0.97 -0.18 0.16 0.63 -0.07 -1.41 116.66 113.99 2gui n ARG 91 Ca -0.03 0.35 0.00 0.00 -0.92 0.00 0.00 57.85 57.25 2gui n ARG 91 Cb 0.64 -1.97 0.00 0.00 0.45 0.00 0.00 32.46 31.57 2gui n ARG 91 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2gui n GLY 92 N 2.51 2.46 3.90 5.14 0.00 0.13 -4.99 105.19 114.34 2gui n GLY 92 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2gui n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gui s ALA 93 N -3.05 3.10 -0.40 4.61 0.00 -0.50 -4.70 121.76 120.82 2gui s ALA 93 Ca 0.00 -0.47 -0.26 0.00 0.00 0.00 0.00 51.96 51.23 2gui s ALA 93 Cb 0.00 -2.84 0.02 0.00 0.00 0.00 0.00 23.12 20.30 2gui s ALA 93 CO 0.00 -0.92 0.94 -2.00 0.00 0.00 0.00 175.76 173.78 2gui s GLU 94 N -5.16 3.74 0.01 0.00 2.12 -0.51 -1.42 118.70 117.48 2gui s GLU 94 Ca 0.56 0.45 -0.29 0.00 0.36 0.00 0.00 54.97 56.05 2gui s GLU 94 Cb -0.11 -3.85 -0.04 0.00 0.26 0.00 0.00 34.13 30.40 2gui s GLU 94 CO 0.49 -1.06 0.93 -0.51 -0.54 0.00 0.00 175.26 174.57 2gui s LEU 95 N 3.62 4.38 -0.20 2.70 1.43 0.14 -0.39 118.68 130.36 2gui s LEU 95 Ca 0.38 1.60 -0.01 0.00 -1.03 0.00 0.00 54.13 55.08 2gui s LEU 95 Cb -0.11 -3.49 0.02 0.00 0.03 0.00 0.00 46.19 42.64 2gui s LEU 95 CO 0.22 -0.20 -0.13 -0.69 0.23 0.00 0.00 176.35 175.78 2gui s VAL 96 N 0.79 2.54 -0.01 -1.59 1.01 0.02 0.44 120.40 123.60 2gui s VAL 96 Ca 0.49 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 2gui s VAL 96 Cb -0.21 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.03 2gui s VAL 96 CO 0.27 0.43 0.02 -0.63 0.00 0.00 0.00 175.10 175.19 2gui s ILE 97 N 1.34 -0.02 -0.54 2.22 1.01 -0.56 -1.34 121.20 123.31 2gui s ILE 97 Ca 0.04 0.06 -0.24 0.00 0.00 0.00 0.00 60.65 60.51 2gui s ILE 97 Cb -0.14 -0.05 0.04 0.00 0.01 0.00 0.00 42.46 42.32 2gui s ILE 97 CO -0.09 0.03 0.94 -2.28 0.00 0.00 0.00 174.94 173.54 2gui s HIS 98 N 0.31 2.81 -0.27 3.97 2.46 -1.26 -1.12 115.29 122.20 2gui s HIS 98 Ca -0.03 0.07 -0.01 0.00 0.47 0.00 0.00 55.06 55.56 2gui s HIS 98 Cb -0.04 -4.06 -0.01 0.00 -0.13 0.00 0.00 32.58 28.34 2gui s HIS 98 CO -0.01 -1.31 0.23 -1.71 -2.47 0.00 0.00 174.74 169.47 2gui n ASN 99 N 7.43 -2.82 -0.35 9.88 5.15 -1.26 -4.87 115.26 128.41 2gui n ASN 99 Ca 0.03 -0.17 0.14 0.00 -0.60 0.00 0.00 54.58 53.98 2gui n ASN 99 Cb 0.48 -1.64 0.34 0.00 -0.53 0.00 0.00 39.78 38.42 2gui n ASN 99 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2gui h ALA 100 N 0.05 1.70 -0.53 5.20 0.00 -1.83 -0.48 119.26 123.38 2gui h ALA 100 Ca -0.15 0.09 0.13 0.00 0.00 0.00 0.00 54.91 54.98 2gui h ALA 100 Cb 1.08 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2gui h ALA 100 CO 0.11 -0.11 0.37 0.00 0.00 0.00 0.00 179.25 179.62 2gui h ALA 101 N 1.67 2.29 0.85 0.00 0.00 -1.93 0.30 119.26 122.44 2gui h ALA 101 Ca 0.60 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.45 2gui h ALA 101 Cb 0.99 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.78 2gui h ALA 101 CO -0.41 -0.43 -0.41 0.35 0.00 0.00 0.00 179.25 178.35 2gui h PHE 102 N 0.15 -1.06 -0.45 0.00 3.57 -1.44 -0.97 116.94 116.74 2gui h PHE 102 Ca 0.25 -0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.59 2gui h PHE 102 Cb 0.79 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 2gui h PHE 102 CO -0.00 -0.66 -0.24 -0.44 -2.23 0.00 0.00 178.31 174.74 2gui h ASP 103 N -1.25 0.97 -0.65 0.41 5.19 -1.55 -2.02 116.42 117.52 2gui h ASP 103 Ca -0.12 -0.37 -0.03 0.00 -0.62 0.00 0.00 57.03 55.89 2gui h ASP 103 Cb 0.87 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 40.09 2gui h ASP 103 CO 0.19 1.15 0.29 0.40 -3.12 0.00 0.00 179.24 178.15 2gui h ILE 104 N 0.81 1.23 -0.37 0.35 1.08 -1.02 0.28 117.51 119.87 2gui h ILE 104 Ca 0.10 -0.68 0.05 0.00 -0.39 0.00 0.00 64.86 63.94 2gui h ILE 104 Cb 0.81 0.47 -0.05 0.00 -3.07 0.00 0.00 36.82 34.98 2gui h ILE 104 CO 0.07 0.28 0.08 1.23 -0.69 0.00 0.00 178.15 179.12 2gui h GLY 105 N 0.91 0.43 0.98 5.37 0.00 -0.97 0.17 103.07 109.96 2gui h GLY 105 Ca 0.22 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.48 2gui h GLY 105 CO -0.02 -0.02 0.16 0.74 0.00 0.00 0.00 176.54 177.39 2gui h PHE 106 N 0.21 0.85 -0.04 5.60 0.04 -0.78 -1.16 116.94 121.66 2gui h PHE 106 Ca 0.17 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.86 2gui h PHE 106 Cb 0.19 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 2gui h PHE 106 CO -0.18 0.73 0.01 0.52 -0.60 0.00 0.00 178.31 178.79 2gui h MET 107 N 0.72 0.03 -0.22 1.51 2.86 0.03 -0.27 114.93 119.58 2gui h MET 107 Ca 0.17 -0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.71 2gui h MET 107 Cb 0.29 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2gui h MET 107 CO -0.00 0.02 -0.28 -0.44 1.06 0.00 0.00 176.91 177.26 2gui h ASP 108 N 0.03 0.43 0.23 1.22 3.32 -0.61 0.18 116.42 121.21 2gui h ASP 108 Ca 0.02 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2gui h ASP 108 Cb 0.01 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2gui h ASP 108 CO -0.02 0.71 -0.11 0.22 -1.72 0.00 0.00 179.24 178.31 2gui h TYR 109 N 0.38 -0.28 -0.66 4.55 3.20 -1.01 0.10 116.97 123.25 2gui h TYR 109 Ca 0.05 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 2gui h TYR 109 Cb 0.69 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.02 2gui h TYR 109 CO 0.02 -0.14 0.30 0.93 -1.64 0.00 0.00 178.16 177.62 2gui h GLU 110 N -0.34 0.96 -0.93 1.82 4.39 -0.70 -1.52 114.58 118.26 2gui h GLU 110 Ca -0.03 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.52 2gui h GLU 110 Cb 0.26 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 2gui h GLU 110 CO 0.05 0.78 0.61 0.74 -1.16 0.00 0.00 179.01 180.03 2gui h PHE 111 N 0.92 1.17 -0.25 4.33 0.04 -0.50 -2.56 116.94 120.08 2gui h PHE 111 Ca 0.22 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.95 2gui h PHE 111 Cb 0.15 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 37.89 2gui h PHE 111 CO 0.01 0.74 -0.14 0.66 -0.60 0.00 0.00 178.31 178.97 2gui h SER 112 N 1.26 0.41 0.47 2.17 4.64 0.05 -2.12 113.55 120.43 2gui h SER 112 Ca 0.34 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2gui h SER 112 Cb -0.14 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 61.84 2gui h SER 112 CO -0.07 0.58 0.00 -0.07 -0.87 0.00 0.00 176.83 176.40 2gui h LEU 113 N 0.39 0.00 -0.63 5.97 3.38 -0.88 -2.11 115.31 121.42 2gui h LEU 113 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2gui h LEU 113 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2gui h LEU 113 CO 0.03 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.49 2gui h LEU 114 N 0.00 0.00 -1.70 1.67 3.38 -1.36 -3.47 115.31 113.83 2gui h LEU 114 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 2gui h LEU 114 Cb 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2gui h LEU 114 CO 0.00 0.00 -0.85 2.29 0.09 0.00 0.00 178.44 179.97 2gui n LYS 115 N -2.48 -4.09 -0.07 1.13 -0.00 -0.80 -4.88 118.16 106.97 2gui n LYS 115 Ca 0.03 0.50 0.04 0.00 -0.00 0.00 0.00 58.31 58.88 2gui n LYS 115 Cb 0.31 -4.90 0.08 0.00 -0.00 0.00 0.00 35.03 30.52 2gui n LYS 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2gui n ARG 116 N -4.39 2.42 -3.25 -1.58 1.74 -1.26 -4.98 116.66 105.36 2gui n ARG 116 Ca -0.24 -2.01 -0.23 0.00 -0.77 0.00 0.00 57.85 54.59 2gui n ARG 116 Cb 0.65 -1.25 0.03 0.00 -1.02 0.00 0.00 32.46 30.87 2gui n ARG 116 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2gui n ASP 117 N -0.70 -5.38 -4.71 0.55 8.00 -1.26 -4.93 116.55 108.13 2gui n ASP 117 Ca 0.08 -0.38 -0.42 0.00 0.71 0.00 0.00 54.79 54.78 2gui n ASP 117 Cb 0.44 -4.35 -0.03 0.00 -0.02 0.00 0.00 41.12 37.17 2gui n ASP 117 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2gui s ILE 118 N -3.13 3.57 0.89 0.53 1.01 -1.26 -4.99 121.20 117.81 2gui s ILE 118 Ca 0.39 1.09 -0.12 0.00 0.00 0.00 0.00 60.65 62.01 2gui s ILE 118 Cb -0.19 -3.70 0.12 0.00 0.01 0.00 0.00 42.46 38.71 2gui s ILE 118 CO 0.48 0.06 1.11 -2.16 0.00 0.00 0.00 174.94 174.44 2gui s PRO 119 N 1.40 1.32 0.54 2.79 0.04 -1.26 -4.84 135.00 134.99 2gui s PRO 119 Ca 0.63 0.48 -0.22 0.00 0.04 0.00 0.00 61.00 61.93 2gui s PRO 119 Cb -0.34 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 2gui s PRO 119 CO 0.29 -2.11 1.37 0.15 0.04 0.00 0.00 177.00 176.74 2gui s LYS 120 N -5.16 3.19 0.27 4.56 1.02 -1.26 -4.89 119.74 117.47 2gui s LYS 120 Ca 0.63 2.26 -0.01 0.00 0.02 0.00 0.00 55.97 58.87 2gui s LYS 120 Cb -0.16 -2.30 0.48 0.00 -0.52 0.00 0.00 37.83 35.34 2gui s LYS 120 CO 0.55 -1.16 1.85 1.15 -0.92 0.00 0.00 175.35 176.81 2gui h THR 121 N 1.53 0.97 0.00 2.17 2.02 -1.93 -0.97 112.91 116.70 2gui h THR 121 Ca -0.51 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.32 2gui h THR 121 Cb 1.30 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 2gui h THR 121 CO 0.58 0.19 0.00 -0.46 0.37 0.00 0.00 175.52 176.19 2gui n ASN 122 N -4.60 0.00 0.09 4.18 2.04 -1.26 -0.59 115.26 115.12 2gui n ASN 122 Ca 0.17 -0.55 0.12 0.00 -0.44 0.00 0.00 54.58 53.88 2gui n ASN 122 Cb 0.29 -0.03 0.07 0.00 -2.53 0.00 0.00 39.78 37.58 2gui n ASN 122 CO 0.00 0.00 0.00 0.71 -0.44 0.00 0.00 177.26 177.53 2gui h THR 123 N 0.00 0.00 0.00 5.53 1.35 -1.53 -3.39 112.91 114.87 2gui h THR 123 Ca 0.00 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 2gui h THR 123 Cb 0.02 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 2gui h THR 123 CO 0.00 0.00 0.00 2.22 -0.25 0.00 0.00 175.52 177.49 2gui n PHE 124 N -2.42 0.00 -4.18 4.73 1.16 -0.41 -5.03 117.46 111.31 2gui n PHE 124 Ca 0.02 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.42 2gui n PHE 124 Cb 0.50 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.25 2gui n PHE 124 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2gui s LYS 126 N -1.96 4.60 -0.17 0.00 2.20 -0.51 -4.26 119.74 119.64 2gui s LYS 126 Ca -0.00 1.28 0.01 0.00 -0.36 0.00 0.00 55.97 56.90 2gui s LYS 126 Cb -0.09 -2.98 0.02 0.00 -1.51 0.00 0.00 37.83 33.27 2gui s LYS 126 CO 0.02 0.39 -0.20 0.08 -0.36 0.00 0.00 175.35 175.28 2gui s VAL 127 N -1.44 2.11 -0.17 4.02 1.01 -1.26 0.25 120.40 124.92 2gui s VAL 127 Ca 0.45 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 2gui s VAL 127 Cb -0.21 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 2gui s VAL 127 CO 0.26 0.54 -0.08 -0.89 0.00 0.00 0.00 175.10 174.92 2gui s THR 128 N 1.19 3.31 -0.56 3.92 2.01 0.17 -4.95 115.64 120.73 2gui s THR 128 Ca 0.02 -0.55 -0.20 0.00 0.31 0.00 0.00 61.69 61.28 2gui s THR 128 Cb -0.14 -2.45 0.07 0.00 0.01 0.00 0.00 72.50 70.00 2gui s THR 128 CO -0.10 0.48 0.74 -0.62 -0.69 0.00 0.00 174.62 174.43 2gui s ASP 129 N 0.82 6.22 0.62 3.53 -1.08 -1.26 -1.50 116.67 124.02 2gui s ASP 129 Ca -0.03 -0.99 0.39 0.00 -0.52 0.00 0.00 52.55 51.41 2gui s ASP 129 Cb -0.15 -2.33 1.99 0.00 -1.46 0.00 0.00 42.92 40.97 2gui s ASP 129 CO 0.01 -1.08 2.22 0.77 0.52 0.00 0.00 175.17 177.61 2gui h SER 130 N 9.18 0.00 0.07 -0.34 4.64 -1.48 -1.18 113.55 124.43 2gui h SER 130 Ca -0.28 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.82 2gui h SER 130 Cb 1.09 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2gui h SER 130 CO 1.05 0.01 -0.83 0.25 -0.87 0.00 0.00 176.83 176.44 2gui h LEU 131 N 0.00 0.74 -0.52 5.97 5.85 -1.90 0.42 115.31 125.88 2gui h LEU 131 Ca -0.00 -0.52 -0.09 0.00 0.84 0.00 0.00 57.88 58.11 2gui h LEU 131 Cb 0.20 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2gui h LEU 131 CO 0.00 1.30 -0.01 0.00 -0.34 0.00 0.00 178.44 179.40 2gui h ALA 132 N 0.67 0.70 -0.34 1.25 0.00 -1.62 -0.03 119.26 119.89 2gui h ALA 132 Ca -0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2gui h ALA 132 Cb 1.45 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2gui h ALA 132 CO 0.16 0.53 0.19 0.28 0.00 0.00 0.00 179.25 180.40 2gui h VAL 133 N 0.79 1.14 -0.68 0.00 2.07 -1.19 -0.65 116.25 117.73 2gui h VAL 133 Ca 0.15 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2gui h VAL 133 Cb 0.54 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2gui h VAL 133 CO 0.03 0.14 0.36 0.00 0.02 0.00 0.00 177.57 178.12 2gui h ALA 134 N 1.05 0.87 -0.53 1.67 0.00 -0.77 -0.86 119.26 120.69 2gui h ALA 134 Ca 0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2gui h ALA 134 Cb 0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2gui h ALA 134 CO -0.02 0.40 0.17 0.00 0.00 0.00 0.00 179.25 179.79 2gui h ARG 135 N 0.93 0.78 -0.47 0.00 3.08 -0.65 0.42 114.38 118.47 2gui h ARG 135 Ca 0.24 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 60.03 2gui h ARG 135 Cb 0.06 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2gui h ARG 135 CO -0.04 0.68 -0.19 -0.22 -1.07 0.00 0.00 179.97 179.13 2gui h LYS 136 N 0.77 0.95 -0.03 0.04 3.64 -0.54 -1.80 116.57 119.60 2gui h LYS 136 Ca 0.18 -0.38 -0.20 0.00 -1.27 0.00 0.00 60.65 58.98 2gui h LYS 136 Cb 0.22 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2gui h LYS 136 CO -0.01 1.05 -0.83 0.52 -2.27 0.00 0.00 179.45 177.91 2gui h MET 137 N 0.82 0.32 -2.16 1.90 2.86 -0.60 -3.37 114.93 114.70 2gui h MET 137 Ca 0.11 -0.31 -0.54 0.00 -2.06 0.00 0.00 59.70 56.91 2gui h MET 137 Cb 0.75 0.08 -0.41 0.00 0.06 0.00 0.00 31.60 32.08 2gui h MET 137 CO 0.06 0.98 -0.89 1.19 1.06 0.00 0.00 176.91 179.32 2gui n PHE 138 N -3.75 2.34 -1.98 -0.22 3.72 0.14 -5.09 117.46 112.62 2gui n PHE 138 Ca -0.05 -3.92 -0.39 0.00 -0.05 0.00 0.00 57.45 53.04 2gui n PHE 138 Cb 0.77 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 2gui n PHE 138 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2gui s PRO 139 N -3.00 3.85 0.00 -1.08 0.04 -0.68 -2.00 135.00 132.13 2gui s PRO 139 Ca 0.45 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.71 2gui s PRO 139 Cb 0.31 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 32.15 2gui s PRO 139 CO -0.11 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.73 2gui n GLY 140 N 0.64 0.50 3.69 0.56 0.00 -1.26 -5.01 105.19 104.31 2gui n GLY 140 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 2gui n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gui s LYS 141 N -0.36 2.12 0.28 1.61 -0.14 -0.84 -5.10 119.74 117.31 2gui s LYS 141 Ca 0.00 -1.95 -0.29 0.00 -1.36 0.00 0.00 55.97 52.37 2gui s LYS 141 Cb 0.00 -1.84 -0.10 0.00 -1.68 0.00 0.00 37.83 34.21 2gui s LYS 141 CO 0.00 -0.09 1.23 1.03 -0.76 0.00 0.00 175.35 176.76 2gui s ARG 142 N -3.83 4.46 -0.03 1.68 0.52 -1.26 -4.93 118.95 115.56 2gui s ARG 142 Ca 0.39 2.04 0.05 0.00 -0.52 0.00 0.00 55.73 57.68 2gui s ARG 142 Cb 0.06 -3.14 0.08 0.00 0.52 0.00 0.00 34.95 32.47 2gui s ARG 142 CO 0.21 -0.06 1.04 0.09 0.02 0.00 0.00 175.30 176.59 2gui n ASN 143 N 1.34 0.49 -4.59 0.23 3.02 -1.26 -4.70 115.26 109.80 2gui n ASN 143 Ca 0.01 -2.22 -0.33 0.00 -0.03 0.00 0.00 54.58 52.01 2gui n ASN 143 Cb 0.43 -0.25 0.13 0.00 -0.61 0.00 0.00 39.78 39.48 2gui n ASN 143 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2gui n SER 144 N -0.24 -0.24 -0.36 6.41 3.41 -1.26 -4.73 113.62 116.61 2gui n SER 144 Ca 0.03 0.48 0.06 0.00 -0.26 0.00 0.00 58.87 59.18 2gui n SER 144 Cb 0.72 -1.39 0.23 0.00 -0.26 0.00 0.00 64.21 63.51 2gui n SER 144 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2gui h LEU 145 N -1.28 0.95 -0.51 1.04 5.85 -1.98 -0.22 115.31 119.15 2gui h LEU 145 Ca -0.45 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 2gui h LEU 145 Cb 1.29 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 2gui h LEU 145 CO 0.41 0.54 0.16 0.44 -0.34 0.00 0.00 178.44 179.65 2gui h ASP 146 N 1.04 0.74 -0.92 1.25 3.32 -1.99 0.15 116.42 120.01 2gui h ASP 146 Ca 0.47 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 57.34 2gui h ASP 146 Cb 0.40 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 2gui h ASP 146 CO -0.23 0.75 0.60 0.00 -1.72 0.00 0.00 179.24 178.64 2gui h ALA 147 N 1.02 1.18 -0.23 3.45 0.00 -1.66 -1.78 119.26 121.24 2gui h ALA 147 Ca 0.16 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2gui h ALA 147 Cb 0.28 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2gui h ALA 147 CO -0.01 0.52 -0.32 -0.07 0.00 0.00 0.00 179.25 179.38 2gui h LEU 148 N 1.21 0.49 -0.74 0.00 3.38 -0.53 -1.51 115.31 117.60 2gui h LEU 148 Ca 0.35 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.14 2gui h LEU 148 Cb -0.09 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 2gui h LEU 148 CO -0.09 0.79 0.49 0.00 0.09 0.00 0.00 178.44 179.71 2gui h ALA 150 N 1.29 0.62 -0.80 0.00 0.00 -1.07 0.13 119.26 119.43 2gui h ALA 150 Ca 0.28 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2gui h ALA 150 Cb -0.07 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 2gui h ALA 150 CO -0.08 0.42 0.39 -0.09 0.00 0.00 0.00 179.25 179.90 2gui h ARG 151 N 0.66 1.14 -0.49 0.00 2.43 -0.72 -2.92 114.38 114.48 2gui h ARG 151 Ca 0.13 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2gui h ARG 151 Cb 0.51 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2gui h ARG 151 CO 0.02 0.88 0.00 0.66 -1.51 0.00 0.00 179.97 180.02 2gui n TYR 152 N -4.32 0.84 -3.83 2.20 4.01 0.10 -4.97 117.16 111.19 2gui n TYR 152 Ca 0.08 -0.56 -0.27 0.00 -0.16 0.00 0.00 57.90 56.99 2gui n TYR 152 Cb 0.13 -0.09 0.03 0.00 -0.31 0.00 0.00 39.34 39.10 2gui n TYR 152 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2gui n GLU 153 N 0.80 -5.28 -3.62 -0.72 1.02 0.13 -4.96 120.64 108.01 2gui n GLU 153 Ca 0.19 0.60 -0.37 0.00 -0.02 0.00 0.00 57.16 57.56 2gui n GLU 153 Cb 0.61 -5.35 -0.07 0.00 -0.02 0.00 0.00 31.44 26.62 2gui n GLU 153 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2gui s ILE 154 N -3.46 5.29 -0.26 -3.67 -1.09 0.21 -5.04 121.20 113.19 2gui s ILE 154 Ca 0.40 0.52 -0.29 0.00 -2.23 0.00 0.00 60.65 59.04 2gui s ILE 154 Cb -0.20 -3.59 -0.01 0.00 -1.58 0.00 0.00 42.46 37.08 2gui s ILE 154 CO 0.82 0.49 1.48 -0.62 -1.23 0.00 0.00 174.94 175.89 2gui s ASP 155 N -0.25 6.50 -0.16 3.58 2.15 -1.26 -4.58 116.67 122.64 2gui s ASP 155 Ca 0.17 1.44 0.16 0.00 0.43 0.00 0.00 52.55 54.75 2gui s ASP 155 Cb -0.13 -2.54 0.34 0.00 -0.30 0.00 0.00 42.92 40.29 2gui s ASP 155 CO 0.06 -1.19 1.18 -0.46 -0.17 0.00 0.00 175.17 174.59 2gui n ASN 156 N 8.12 2.09 0.27 -0.34 6.94 -1.26 -4.78 115.26 126.30 2gui n ASN 156 Ca 0.17 -3.41 0.13 0.00 -0.02 0.00 0.00 54.58 51.45 2gui n ASN 156 Cb 0.46 -0.47 0.77 0.00 -2.36 0.00 0.00 39.78 38.17 2gui n ASN 156 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 2gui h SER 157 N 0.40 0.00 -0.07 0.53 4.64 -2.04 -0.74 113.55 116.27 2gui h SER 157 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gui h SER 157 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2gui h SER 157 CO 0.00 0.10 0.00 0.29 -0.87 0.00 0.00 176.83 176.35 2gui n LYS 158 N -3.63 1.32 -1.40 4.77 4.01 -1.26 -4.41 118.16 117.55 2gui n LYS 158 Ca -0.02 -0.49 -0.29 0.00 -0.51 0.00 0.00 58.31 57.01 2gui n LYS 158 Cb 0.21 -1.33 0.09 0.00 -0.51 0.00 0.00 35.03 33.50 2gui n LYS 158 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2gui n ARG 159 N -0.29 2.73 0.01 1.97 0.63 -0.28 -4.54 116.66 116.87 2gui n ARG 159 Ca 0.15 -3.41 -0.11 0.00 -0.92 0.00 0.00 57.85 53.57 2gui n ARG 159 Cb 0.18 -2.23 -0.05 0.00 0.45 0.00 0.00 32.46 30.81 2gui n ARG 159 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2gui h THR 160 N 1.22 0.94 -2.69 5.15 2.02 -1.79 -3.39 112.91 114.36 2gui h THR 160 Ca 0.54 -0.01 -0.66 0.00 0.77 0.00 0.00 66.41 67.05 2gui h THR 160 Cb 1.32 0.91 -0.07 0.00 -1.74 0.00 0.00 68.15 68.57 2gui h THR 160 CO 1.27 0.00 -0.49 -0.76 0.37 0.00 0.00 175.52 175.92 2gui s LEU 161 N -10.26 4.37 0.36 2.58 1.43 -1.26 -5.01 118.68 110.89 2gui s LEU 161 Ca -0.13 0.43 -0.25 0.00 -1.03 0.00 0.00 54.13 53.15 2gui s LEU 161 Cb 0.08 -2.21 -0.10 0.00 0.03 0.00 0.00 46.19 43.99 2gui s LEU 161 CO 0.67 0.37 1.00 -1.00 0.23 0.00 0.00 176.35 177.62 2gui s HIS 162 N -1.11 3.49 0.03 0.29 3.76 -0.39 -4.98 115.29 116.39 2gui s HIS 162 Ca 0.18 1.71 -0.04 0.00 -0.15 0.00 0.00 55.06 56.77 2gui s HIS 162 Cb -0.12 -3.02 -0.02 0.00 1.11 0.00 0.00 32.58 30.53 2gui s HIS 162 CO 0.08 -0.19 0.05 0.20 -0.85 0.00 0.00 174.74 174.02 2gui s GLY 163 N -1.58 0.22 0.04 -2.22 0.00 -1.26 -4.31 107.32 98.22 2gui s GLY 163 Ca 0.53 -0.63 -0.21 0.00 0.00 0.00 0.00 44.72 44.41 2gui s GLY 163 CO 0.26 -0.74 1.41 0.00 0.00 0.00 0.00 173.10 174.02 2gui h ALA 164 N 3.88 0.18 -0.29 3.20 0.00 -1.87 0.30 119.26 124.66 2gui h ALA 164 Ca -0.32 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 2gui h ALA 164 Cb 1.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2gui h ALA 164 CO 0.50 -0.04 -0.09 1.25 0.00 0.00 0.00 179.25 180.86 2gui h LEU 165 N -0.06 0.58 -0.41 0.00 5.85 -1.83 0.01 115.31 119.45 2gui h LEU 165 Ca 0.03 -0.38 0.07 0.00 0.84 0.00 0.00 57.88 58.44 2gui h LEU 165 Cb 0.50 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 2gui h LEU 165 CO 0.02 0.82 0.07 0.25 -0.34 0.00 0.00 178.44 179.26 2gui h LEU 166 N 0.33 -0.02 -0.77 2.25 5.85 -1.95 0.03 115.31 121.04 2gui h LEU 166 Ca 0.07 0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.75 2gui h LEU 166 Cb 0.58 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2gui h LEU 166 CO 0.03 0.03 -0.30 0.44 -0.34 0.00 0.00 178.44 178.29 2gui h ASP 167 N 0.19 0.60 -0.50 1.25 5.19 -0.27 -1.11 116.42 121.78 2gui h ASP 167 Ca 0.20 -0.23 -0.12 0.00 -0.62 0.00 0.00 57.03 56.25 2gui h ASP 167 Cb 0.25 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.58 2gui h ASP 167 CO -0.27 0.88 -0.17 0.00 -3.12 0.00 0.00 179.24 176.56 2gui h ALA 168 N 1.16 0.74 -0.11 3.45 0.00 -0.57 0.95 119.26 124.88 2gui h ALA 168 Ca 0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2gui h ALA 168 Cb 0.78 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2gui h ALA 168 CO 0.06 0.67 0.04 0.37 0.00 0.00 0.00 179.25 180.39 2gui h GLN 169 N 0.88 0.18 -0.26 0.00 5.75 -0.71 0.52 115.11 121.47 2gui h GLN 169 Ca 0.12 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.59 2gui h GLN 169 Cb 0.74 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.25 2gui h GLN 169 CO 0.06 0.31 0.15 0.82 -2.65 0.00 0.00 178.83 177.52 2gui h ILE 170 N 0.01 1.10 -0.87 2.39 2.04 -1.13 -2.07 117.51 118.97 2gui h ILE 170 Ca 0.04 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.68 2gui h ILE 170 Cb 0.20 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 2gui h ILE 170 CO -0.00 0.09 0.58 0.25 0.00 0.00 0.00 178.15 179.07 2gui h LEU 171 N 0.32 0.99 -0.55 1.44 5.85 -0.66 -0.14 115.31 122.56 2gui h LEU 171 Ca 0.09 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2gui h LEU 171 Cb 0.02 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 2gui h LEU 171 CO -0.02 0.70 0.34 0.00 -0.34 0.00 0.00 178.44 179.12 2gui h ALA 172 N 1.46 0.70 -0.36 1.25 0.00 -0.34 0.45 119.26 122.43 2gui h ALA 172 Ca 0.33 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2gui h ALA 172 Cb -0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2gui h ALA 172 CO -0.08 0.17 0.14 0.93 0.00 0.00 0.00 179.25 180.41 2gui h GLU 173 N 0.74 0.53 -0.36 0.00 5.08 -0.78 0.03 114.58 119.82 2gui h GLU 173 Ca 0.20 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2gui h GLU 173 Cb -0.03 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2gui h GLU 173 CO -0.04 0.52 0.20 0.28 -1.00 0.00 0.00 179.01 178.98 2gui h VAL 174 N 0.43 1.13 -0.27 3.13 2.07 -0.61 -2.14 116.25 119.99 2gui h VAL 174 Ca 0.12 -0.33 -0.13 0.00 0.82 0.00 0.00 66.70 67.19 2gui h VAL 174 Cb 0.19 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2gui h VAL 174 CO -0.01 0.13 -0.36 0.22 0.02 0.00 0.00 177.57 177.58 2gui h TYR 175 N 0.46 0.70 -0.65 1.57 3.20 0.13 0.14 116.97 122.51 2gui h TYR 175 Ca 0.13 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.81 2gui h TYR 175 Cb 0.03 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 2gui h TYR 175 CO -0.03 0.87 0.41 -0.07 -1.64 0.00 0.00 178.16 177.70 2gui h LEU 176 N 0.50 0.76 -0.46 2.82 3.38 -0.89 -1.13 115.31 120.29 2gui h LEU 176 Ca 0.05 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2gui h LEU 176 Cb 0.85 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2gui h LEU 176 CO 0.07 0.58 -0.09 0.00 0.09 0.00 0.00 178.44 179.09 2gui h ALA 177 N 1.22 0.64 -0.34 1.53 0.00 -0.87 -1.27 119.26 120.17 2gui h ALA 177 Ca 0.23 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2gui h ALA 177 Cb -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2gui h ALA 177 CO -0.05 0.52 0.21 0.52 0.00 0.00 0.00 179.25 180.46 2gui h MET 178 N 0.73 0.45 -0.57 0.00 2.86 -0.45 -2.39 114.93 115.56 2gui h MET 178 Ca 0.12 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2gui h MET 178 Cb 0.64 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2gui h MET 178 CO 0.04 0.31 0.00 0.25 1.06 0.00 0.00 176.91 178.58 2gui n THR 179 N -4.47 1.34 0.40 2.22 -2.24 -0.45 -5.08 114.28 105.99 2gui n THR 179 Ca 0.02 -1.12 0.05 0.00 -2.27 0.00 0.00 64.05 60.72 2gui n THR 179 Cb 0.07 0.34 0.04 0.00 -2.10 0.00 0.00 70.33 68.68 2gui n THR 179 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11