#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qaa s SER 17 N 0.00 0.65 0.29 9.51 1.04 -1.26 -1.87 113.70 122.06 2qaa s SER 17 Ca 0.00 -1.43 -0.30 0.00 0.48 0.00 0.00 55.95 54.70 2qaa s SER 17 Cb 0.00 0.52 -0.12 0.00 0.10 0.00 0.00 66.02 66.52 2qaa s SER 17 CO 0.00 -1.05 1.51 0.61 0.98 0.00 0.00 173.24 175.29 2qaa n GLY 18 N -0.44 1.11 0.90 7.32 0.00 -0.42 -2.06 105.19 111.59 2qaa n GLY 18 Ca 0.02 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.49 2qaa n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qaa n GLY 19 N 1.93 1.56 3.78 -0.02 0.00 0.66 -2.57 105.19 110.52 2qaa n GLY 19 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 2qaa n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qaa s ASP 29 N -2.10 5.61 0.44 1.61 1.01 -0.88 -2.77 116.67 119.59 2qaa s ASP 29 Ca 0.00 1.99 -0.25 0.00 0.71 0.00 0.00 52.55 55.00 2qaa s ASP 29 Cb 0.00 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.30 2qaa s ASP 29 CO 0.00 -1.29 1.33 0.00 0.21 0.00 0.00 175.17 175.42 2qaa s ALA 30 N -2.17 3.16 0.04 5.23 0.00 -1.26 -0.93 121.76 125.83 2qaa s ALA 30 Ca 0.68 1.28 0.03 0.00 0.00 0.00 0.00 51.96 53.95 2qaa s ALA 30 Cb -0.20 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 2qaa s ALA 30 CO 0.33 -0.98 -0.10 0.96 0.00 0.00 0.00 175.76 175.97 2qaa s ILE 31 N -1.28 0.80 -0.06 0.00 -4.36 -0.58 -4.76 121.20 110.95 2qaa s ILE 31 Ca 0.61 -0.95 0.02 0.00 -0.26 0.00 0.00 60.65 60.07 2qaa s ILE 31 Cb -0.39 -0.77 0.01 0.00 1.25 0.00 0.00 42.46 42.56 2qaa s ILE 31 CO 0.49 -0.15 -0.12 -0.31 0.24 0.00 0.00 174.94 175.09 2qaa s TYR 32 N -0.98 1.44 0.29 1.37 1.51 -0.02 -1.03 117.35 119.94 2qaa s TYR 32 Ca -0.03 -0.51 0.05 0.00 -1.01 0.00 0.00 57.07 55.57 2qaa s TYR 32 Cb -0.08 -1.05 0.05 0.00 -0.11 0.00 0.00 41.96 40.77 2qaa s TYR 32 CO 0.01 -0.26 0.39 -1.13 -1.11 0.00 0.00 175.55 173.45 2qaa n SER 33 N 3.73 1.12 0.10 2.29 3.41 -0.21 -0.59 113.62 123.46 2qaa n SER 33 Ca -0.22 -1.79 0.10 0.00 -0.26 0.00 0.00 58.87 56.70 2qaa n SER 33 Cb 0.52 -0.20 0.44 0.00 -0.26 0.00 0.00 64.21 64.71 2qaa n SER 33 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2qaa n SER 34 N -2.61 0.48 -0.00 4.04 3.41 -1.26 -3.57 113.62 114.10 2qaa n SER 34 Ca 0.08 0.64 0.02 0.00 -0.26 0.00 0.00 58.87 59.34 2qaa n SER 34 Cb 0.30 -0.73 -0.02 0.00 -0.26 0.00 0.00 64.21 63.50 2qaa n SER 34 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2qaa n THR 39 N -2.05 0.00 -0.93 6.66 -2.24 -1.26 -5.12 114.28 109.34 2qaa n THR 39 Ca 0.02 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2qaa n THR 39 Cb 0.18 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 2qaa n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qaa n GLY 40 N 1.45 -1.38 3.44 3.38 0.00 -1.23 -5.15 105.19 105.70 2qaa n GLY 40 Ca 0.00 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 2qaa n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qaa s ARG 41 N -1.52 3.09 0.00 1.61 3.52 -1.26 -1.04 118.95 123.35 2qaa s ARG 41 Ca 0.00 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 54.95 2qaa s ARG 41 Cb 0.00 -2.59 0.00 0.00 -1.56 0.00 0.00 34.95 30.80 2qaa s ARG 41 CO 0.00 0.39 0.00 0.00 -0.81 0.00 0.00 175.30 174.88 2qaa s SER 43 N 0.67 2.34 0.23 0.00 0.01 -0.18 -1.53 113.70 115.24 2qaa s SER 43 Ca 0.00 -0.45 -0.30 0.00 1.31 0.00 0.00 55.95 56.51 2qaa s SER 43 Cb 0.00 -0.22 -0.09 0.00 0.21 0.00 0.00 66.02 65.92 2qaa s SER 43 CO 0.00 0.18 1.34 -0.22 0.41 0.00 0.00 173.24 174.96 2qaa s LEU 44 N -0.88 4.41 0.00 2.44 0.20 -0.11 -3.51 118.68 121.24 2qaa s LEU 44 Ca 0.07 2.51 0.00 0.00 0.69 0.00 0.00 54.13 57.41 2qaa s LEU 44 Cb -0.08 -3.62 0.00 0.00 -0.43 0.00 0.00 46.19 42.06 2qaa s LEU 44 CO 0.01 -0.57 0.00 0.61 -0.29 0.00 0.00 176.35 176.11 2qaa n GLY 45 N 2.07 1.47 3.01 7.98 0.00 0.77 -0.25 105.19 120.25 2qaa n GLY 45 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 2qaa n GLY 45 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qaa s PHE 46 N 0.00 0.61 0.16 1.61 0.08 -1.20 -3.90 117.98 115.35 2qaa s PHE 46 Ca 0.00 -0.26 -0.30 0.00 0.12 0.00 0.00 56.93 56.49 2qaa s PHE 46 Cb 0.00 -0.38 -0.07 0.00 -0.57 0.00 0.00 43.02 41.99 2qaa s PHE 46 CO 0.00 -0.03 1.16 -0.80 -0.10 0.00 0.00 175.22 175.45 2qaa s ASN 47 N -0.72 7.16 0.19 1.36 0.01 -1.26 -1.03 114.94 120.64 2qaa s ASN 47 Ca -0.02 2.14 -0.00 0.00 -0.71 0.00 0.00 52.86 54.27 2qaa s ASN 47 Cb -0.05 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 38.96 2qaa s ASN 47 CO 0.00 -0.33 0.09 0.68 -1.51 0.00 0.00 177.10 176.04 2qaa s VAL 48 N 0.04 0.21 0.12 1.60 -7.23 -0.22 -4.01 120.40 110.90 2qaa s VAL 48 Ca 0.52 -1.98 -0.16 0.00 -1.81 0.00 0.00 61.98 58.55 2qaa s VAL 48 Cb -0.31 -2.37 0.04 0.00 0.56 0.00 0.00 36.38 34.29 2qaa s VAL 48 CO 0.35 -0.17 0.41 0.00 -0.31 0.00 0.00 175.10 175.38 2qaa s ARG 48 N -4.08 1.06 -0.16 4.82 1.70 -0.28 -1.10 118.95 120.91 2qaa s ARG 48 Ca 0.33 -0.67 -0.02 0.00 -0.47 0.00 0.00 55.73 54.91 2qaa s ARG 48 Cb 0.07 0.47 0.05 0.00 -0.57 0.00 0.00 34.95 34.97 2qaa s ARG 48 CO 0.09 -0.41 0.00 0.45 -1.08 0.00 0.00 175.30 174.35 2qaa s SER 48 N -2.73 2.65 1.97 -2.89 0.15 -0.16 -0.96 113.70 111.74 2qaa s SER 48 Ca 0.02 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.03 2qaa s SER 48 Cb 0.02 -0.68 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 2qaa s SER 48 CO -0.11 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.69 2qaa n GLY 48 N 5.00 4.14 1.11 9.45 0.00 -1.26 -1.05 105.19 122.59 2qaa n GLY 48 Ca -0.09 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.11 2qaa n GLY 48 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qaa n SER 48 N 7.95 3.27 -4.62 1.61 3.41 -1.26 -4.89 113.62 119.08 2qaa n SER 48 Ca 0.00 -1.97 -0.36 0.00 -0.26 0.00 0.00 58.87 56.28 2qaa n SER 48 Cb 0.00 -0.34 -0.10 0.00 -0.26 0.00 0.00 64.21 63.52 2qaa n SER 48 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2qaa s THR 49 N -1.33 5.05 -0.01 6.66 2.01 -0.21 -5.08 115.64 122.72 2qaa s THR 49 Ca 0.40 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.48 2qaa s THR 49 Cb 0.22 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 2qaa s THR 49 CO 0.30 0.38 0.03 -0.31 -0.69 0.00 0.00 174.62 174.33 2qaa s TYR 50 N 0.91 3.16 0.25 4.92 1.51 -1.26 -0.98 117.35 125.85 2qaa s TYR 50 Ca 0.06 0.14 -0.03 0.00 -1.01 0.00 0.00 57.07 56.23 2qaa s TYR 50 Cb -0.13 -1.70 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 2qaa s TYR 50 CO 0.03 0.50 0.27 0.71 -1.11 0.00 0.00 175.55 175.95 2qaa s TYR 51 N -1.11 1.06 0.07 2.71 1.51 -0.25 -1.62 117.35 119.72 2qaa s TYR 51 Ca 0.20 -1.27 0.05 0.00 -1.01 0.00 0.00 57.07 55.04 2qaa s TYR 51 Cb -0.12 -0.36 -0.03 0.00 -0.11 0.00 0.00 41.96 41.34 2qaa s TYR 51 CO 0.11 -0.81 -0.14 -0.59 -1.11 0.00 0.00 175.55 173.01 2qaa s PHE 52 N -3.88 1.17 0.14 2.71 -0.12 -0.23 -1.06 117.98 116.71 2qaa s PHE 52 Ca 0.35 -0.47 -0.12 0.00 -0.05 0.00 0.00 56.93 56.64 2qaa s PHE 52 Cb 0.04 -0.66 -0.07 0.00 -0.63 0.00 0.00 43.02 41.70 2qaa s PHE 52 CO 0.15 0.05 0.50 -0.51 -0.05 0.00 0.00 175.22 175.35 2qaa s LEU 53 N -1.74 4.32 0.00 -1.99 1.43 -0.20 -0.94 118.68 119.56 2qaa s LEU 53 Ca -0.03 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 2qaa s LEU 53 Cb -0.10 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 42.89 2qaa s LEU 53 CO 0.02 0.10 0.00 1.07 0.23 0.00 0.00 176.35 177.77 2qaa n THR 54 N 0.68 0.00 -2.51 5.49 5.66 -0.59 -0.16 114.28 122.84 2qaa n THR 54 Ca -0.05 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.57 2qaa n THR 54 Cb 0.52 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.26 2qaa n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qaa s ALA 55 N -1.47 3.14 0.39 1.79 0.00 -1.26 -1.07 121.76 123.28 2qaa s ALA 55 Ca 0.00 0.75 0.13 0.00 0.00 0.00 0.00 51.96 52.84 2qaa s ALA 55 Cb 0.00 -3.29 0.79 0.00 0.00 0.00 0.00 23.12 20.62 2qaa s ALA 55 CO 0.00 -0.23 1.87 0.78 0.00 0.00 0.00 175.76 178.18 2qaa h GLY 56 N 2.73 0.00 2.00 0.00 0.00 -1.59 -2.02 103.07 104.19 2qaa h GLY 56 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2qaa h GLY 56 CO 0.63 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 174.78 2qaa n HIS 57 N -4.15 0.48 0.02 5.60 1.44 -1.26 -1.10 115.22 116.25 2qaa n HIS 57 Ca -0.02 0.17 -0.22 0.00 -2.01 0.00 0.00 57.72 55.64 2qaa n HIS 57 Cb 0.37 -0.78 -0.14 0.00 0.12 0.00 0.00 29.99 29.56 2qaa n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2qaa h THR 59 N -0.18 0.38 -2.50 0.00 1.35 -1.17 -3.40 112.91 107.38 2qaa h THR 59 Ca -0.33 -1.24 -0.53 0.00 -0.55 0.00 0.00 66.41 63.76 2qaa h THR 59 Cb 1.86 1.94 0.02 0.00 -1.73 0.00 0.00 68.15 70.23 2qaa h THR 59 CO 0.08 0.19 1.14 -0.62 -0.25 0.00 0.00 175.52 176.06 2qaa s ASP 60 N -6.17 6.51 0.00 5.36 2.15 -0.25 -1.67 116.67 122.60 2qaa s ASP 60 Ca 0.03 2.57 0.00 0.00 0.43 0.00 0.00 52.55 55.58 2qaa s ASP 60 Cb 0.08 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 2qaa s ASP 60 CO 0.65 -0.99 0.00 0.61 -0.17 0.00 0.00 175.17 175.27 2qaa n GLY 62 N 4.31 0.96 3.75 2.66 0.00 -1.26 -4.99 105.19 110.61 2qaa n GLY 62 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2qaa n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qaa s ALA 63 N -3.84 3.48 0.00 4.61 0.00 -0.67 -5.00 121.76 120.35 2qaa s ALA 63 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.10 2qaa s ALA 63 Cb 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.59 2qaa s ALA 63 CO 0.00 0.66 0.00 2.41 0.00 0.00 0.00 175.76 178.83 2qaa n THR 64 N 1.46 0.00 -2.74 0.00 -1.04 -1.26 -4.54 114.28 106.16 2qaa n THR 64 Ca -0.15 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.48 2qaa n THR 64 Cb 0.53 -0.66 -0.06 0.00 -1.82 0.00 0.00 70.33 68.32 2qaa n THR 64 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2qaa s THR 65 N 0.00 4.10 -0.01 12.58 2.01 -1.26 -0.92 115.64 132.14 2qaa s THR 65 Ca 0.00 1.82 0.08 0.00 0.31 0.00 0.00 61.69 63.90 2qaa s THR 65 Cb 0.00 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 2qaa s THR 65 CO 0.00 0.21 -0.26 0.26 -0.69 0.00 0.00 174.62 174.14 2qaa s TRP 66 N -1.51 2.33 0.24 4.92 0.52 -0.07 -4.12 118.94 121.25 2qaa s TRP 66 Ca 0.49 -0.43 0.10 0.00 0.02 0.00 0.00 56.10 56.27 2qaa s TRP 66 Cb -0.21 -1.48 -0.05 0.00 -1.15 0.00 0.00 33.47 30.58 2qaa s TRP 66 CO 0.27 -0.01 -0.18 -1.58 0.02 0.00 0.00 176.95 175.47 2qaa s TRP 67 N -0.65 2.03 -0.85 -1.98 0.51 0.24 -0.32 118.94 117.92 2qaa s TRP 67 Ca 0.10 -0.43 0.25 0.00 -2.12 0.00 0.00 56.10 53.90 2qaa s TRP 67 Cb -0.10 -0.92 0.60 0.00 -0.81 0.00 0.00 33.47 32.24 2qaa s TRP 67 CO -0.00 0.54 1.50 0.00 -0.51 0.00 0.00 176.95 178.47 2qaa n ALA 68 N -0.40 3.02 -2.58 0.98 0.00 -0.07 -0.84 120.51 120.63 2qaa n ALA 68 Ca -0.07 -0.25 -0.10 0.00 0.00 0.00 0.00 53.44 53.02 2qaa n ALA 68 Cb 0.60 -1.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.71 2qaa n ALA 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qaa s ASN 78 N -3.54 0.61 0.50 0.00 4.22 -1.26 -4.77 114.94 110.69 2qaa s ASN 78 Ca 0.10 -0.73 0.25 0.00 -2.14 0.00 0.00 52.86 50.33 2qaa s ASN 78 Cb 0.16 0.11 1.30 0.00 1.28 0.00 0.00 41.25 44.10 2qaa s ASN 78 CO 0.67 -0.38 2.02 -1.28 -2.04 0.00 0.00 177.10 176.09 2qaa h SER 79 N 3.92 0.00 0.90 3.54 0.87 -1.99 -0.70 113.55 120.09 2qaa h SER 79 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2qaa h SER 79 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2qaa h SER 79 CO 0.52 0.16 0.00 0.00 -0.53 0.00 0.00 176.83 176.97 2qaa n ALA 80 N -2.31 1.92 -3.30 6.23 0.00 -1.26 -4.91 120.51 116.89 2qaa n ALA 80 Ca -0.02 -0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.25 2qaa n ALA 80 Cb 0.27 -1.39 0.08 0.00 0.00 0.00 0.00 19.45 18.41 2qaa n ALA 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qaa n ARG 81 N -1.95 -6.09 -0.00 0.00 1.74 -0.27 -4.93 116.66 105.16 2qaa n ARG 81 Ca 0.04 0.73 0.01 0.00 -0.77 0.00 0.00 57.85 57.86 2qaa n ARG 81 Cb 0.28 -5.42 -0.01 0.00 -1.02 0.00 0.00 32.46 26.29 2qaa n ARG 81 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2qaa n THR 82 N -3.99 0.00 -3.61 0.55 -2.24 -1.26 -4.91 114.28 98.82 2qaa n THR 82 Ca -0.18 -0.33 -0.40 0.00 -2.27 0.00 0.00 64.05 60.88 2qaa n THR 82 Cb 0.62 0.83 -0.09 0.00 -2.10 0.00 0.00 70.33 69.59 2qaa n THR 82 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2qaa s THR 83 N -1.49 4.02 0.17 4.28 2.01 -1.26 -5.06 115.64 118.32 2qaa s THR 83 Ca 0.00 -1.76 -0.30 0.00 0.31 0.00 0.00 61.69 59.94 2qaa s THR 83 Cb 0.01 -3.63 -0.08 0.00 0.01 0.00 0.00 72.50 68.82 2qaa s THR 83 CO 0.09 -0.70 1.20 -0.69 -0.69 0.00 0.00 174.62 173.82 2qaa s VAL 84 N 1.33 3.64 -0.20 3.82 1.01 -1.26 -0.89 120.40 127.85 2qaa s VAL 84 Ca 0.05 1.35 -0.15 0.00 0.00 0.00 0.00 61.98 63.23 2qaa s VAL 84 Cb -0.25 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 2qaa s VAL 84 CO -0.01 0.20 -0.19 0.18 0.00 0.00 0.00 175.10 175.28 2qaa n LEU 85 N 2.69 1.89 0.00 3.92 4.77 0.56 -4.53 117.00 126.31 2qaa n LEU 85 Ca 0.05 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2qaa n LEU 85 Cb 0.45 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 2qaa n LEU 85 CO 0.56 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 2qaa n GLY 86 N 1.44 -0.59 3.16 -0.72 0.00 -1.14 -0.84 105.19 106.50 2qaa n GLY 86 Ca -0.26 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 44.68 2qaa n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qaa s THR 87 N -3.00 1.26 0.18 2.61 -4.23 -0.61 -0.89 115.64 110.97 2qaa s THR 87 Ca 0.00 -0.87 -0.33 0.00 -1.18 0.00 0.00 61.69 59.31 2qaa s THR 87 Cb 0.00 -1.09 -0.14 0.00 1.34 0.00 0.00 72.50 72.61 2qaa s THR 87 CO 0.00 0.20 1.48 0.41 -0.54 0.00 0.00 174.62 176.18 2qaa n THR 88 N 2.27 0.35 0.01 3.99 -1.04 -0.10 -0.91 114.28 118.85 2qaa n THR 88 Ca -0.16 -0.09 0.02 0.00 -2.04 0.00 0.00 64.05 61.78 2qaa n THR 88 Cb 0.54 -1.42 -0.02 0.00 -1.82 0.00 0.00 70.33 67.61 2qaa n THR 88 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2qaa n SER 89 N 2.86 3.88 -3.51 8.00 7.64 0.26 -4.82 113.62 127.93 2qaa n SER 89 Ca 0.15 -0.05 -0.16 0.00 1.01 0.00 0.00 58.87 59.82 2qaa n SER 89 Cb 0.29 1.13 -0.05 0.00 -1.01 0.00 0.00 64.21 64.57 2qaa n SER 89 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2qaa s GLY 90 N -2.26 -0.54 -0.21 0.23 0.00 -1.00 -4.97 107.32 98.57 2qaa s GLY 90 Ca -0.01 1.29 -0.14 0.00 0.00 0.00 0.00 44.72 45.85 2qaa s GLY 90 CO 0.13 0.83 0.52 -0.45 0.00 0.00 0.00 173.10 174.13 2qaa s SER 91 N -1.46 -0.64 -0.30 1.64 0.15 -1.26 -1.17 113.70 110.66 2qaa s SER 91 Ca -0.07 1.11 -0.01 0.00 0.70 0.00 0.00 55.95 57.67 2qaa s SER 91 Cb -0.00 1.04 0.10 0.00 -1.71 0.00 0.00 66.02 65.45 2qaa s SER 91 CO 0.05 -0.20 0.10 -0.55 1.20 0.00 0.00 173.24 173.84 2qaa s SER 93 N 1.02 3.91 -0.27 5.45 0.15 0.78 -4.99 113.70 119.74 2qaa s SER 93 Ca -0.06 -1.55 -0.23 0.00 0.70 0.00 0.00 55.95 54.81 2qaa s SER 93 Cb -0.06 -0.76 0.08 0.00 -1.71 0.00 0.00 66.02 63.57 2qaa s SER 93 CO -0.09 -0.42 0.75 0.12 1.20 0.00 0.00 173.24 174.80 2qaa s PHE 94 N 1.72 -0.82 0.00 3.44 5.36 -1.26 -1.85 117.98 124.58 2qaa s PHE 94 Ca 0.09 1.89 0.00 0.00 -0.96 0.00 0.00 56.93 57.96 2qaa s PHE 94 Cb -0.17 0.35 0.00 0.00 -0.34 0.00 0.00 43.02 42.86 2qaa s PHE 94 CO -0.27 -0.40 0.00 -0.35 -1.46 0.00 0.00 175.22 172.74 2qaa n PRO 99 N 3.00 2.32 0.00 10.12 -0.04 -1.26 -4.93 135.00 144.21 2qaa n PRO 99 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2qaa n PRO 99 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 2qaa n PRO 99 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2qaa n ASN 100 N 0.00 0.00 -4.38 3.54 5.03 0.06 -4.73 115.26 114.78 2qaa n ASN 100 Ca 0.00 0.00 -0.20 0.00 0.87 0.00 0.00 54.58 55.25 2qaa n ASN 100 Cb 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 39.78 38.78 2qaa n ASN 100 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2qaa n ASN 101 N 3.30 2.21 -3.17 6.41 5.03 -1.26 -1.23 115.26 126.55 2qaa n ASN 101 Ca 0.00 -2.47 -0.22 0.00 0.87 0.00 0.00 54.58 52.76 2qaa n ASN 101 Cb 0.00 -0.14 -0.06 0.00 -1.02 0.00 0.00 39.78 38.56 2qaa n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2qaa n ASP 102 N -2.06 -0.58 -3.95 6.41 -0.08 -1.17 -3.97 116.55 111.14 2qaa n ASP 102 Ca 0.04 -2.68 -0.09 0.00 -1.51 0.00 0.00 54.79 50.55 2qaa n ASP 102 Cb 0.51 -0.20 -0.09 0.00 2.34 0.00 0.00 41.12 43.68 2qaa n ASP 102 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 2qaa s TYR 103 N -0.50 0.27 0.28 -0.67 -0.85 -0.77 -3.51 117.35 111.61 2qaa s TYR 103 Ca 0.34 -0.67 -0.17 0.00 -0.52 0.00 0.00 57.07 56.05 2qaa s TYR 103 Cb 0.13 -0.19 0.01 0.00 0.38 0.00 0.00 41.96 42.30 2qaa s TYR 103 CO -0.15 -0.41 0.63 0.20 -1.52 0.00 0.00 175.55 174.30 2qaa s GLY 104 N -2.50 0.23 -0.01 5.49 0.00 -0.23 -0.16 107.32 110.14 2qaa s GLY 104 Ca 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 44.72 44.12 2qaa s GLY 104 CO -0.07 -0.34 0.03 -1.50 0.00 0.00 0.00 173.10 171.22 2qaa s ILE 105 N -3.82 0.00 -0.13 0.90 2.07 -0.32 -1.54 121.20 118.36 2qaa s ILE 105 Ca 0.16 -0.02 0.03 0.00 -1.41 0.00 0.00 60.65 59.41 2qaa s ILE 105 Cb -0.04 -0.06 0.01 0.00 0.13 0.00 0.00 42.46 42.50 2qaa s ILE 105 CO 0.08 -0.01 -0.22 -0.69 -1.91 0.00 0.00 174.94 172.20 2qaa s VAL 106 N -0.01 2.03 -0.16 4.00 1.01 -0.11 -0.57 120.40 126.58 2qaa s VAL 106 Ca -0.00 -0.96 -0.27 0.00 0.00 0.00 0.00 61.98 60.75 2qaa s VAL 106 Cb -0.00 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 2qaa s VAL 106 CO 0.00 0.54 0.90 -0.60 0.00 0.00 0.00 175.10 175.94 2qaa s ARG 107 N 0.78 4.32 0.24 2.72 3.52 -0.09 -1.07 118.95 129.38 2qaa s ARG 107 Ca -0.08 1.14 -0.30 0.00 -0.13 0.00 0.00 55.73 56.36 2qaa s ARG 107 Cb -0.16 -3.57 -0.10 0.00 -1.56 0.00 0.00 34.95 29.56 2qaa s ARG 107 CO -0.01 -0.36 1.50 0.71 -0.81 0.00 0.00 175.30 176.33 2qaa s TYR 108 N 2.24 2.97 -0.44 5.12 2.02 -0.64 -1.57 117.35 127.06 2qaa s TYR 108 Ca 0.41 0.88 0.11 0.00 -0.37 0.00 0.00 57.07 58.10 2qaa s TYR 108 Cb -0.17 -3.90 -0.12 0.00 -0.40 0.00 0.00 41.96 37.37 2qaa s TYR 108 CO 0.13 -3.03 0.42 0.25 -1.57 0.00 0.00 175.55 171.75 2qaa n THR 109 N 2.68 0.00 -2.95 -0.71 -2.24 -0.02 -4.86 114.28 106.18 2qaa n THR 109 Ca 0.09 -0.25 -0.43 0.00 -2.27 0.00 0.00 64.05 61.18 2qaa n THR 109 Cb 0.39 0.90 -0.04 0.00 -2.10 0.00 0.00 70.33 69.47 2qaa n THR 109 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2qaa s ASN 110 N -2.18 6.22 0.40 3.42 3.84 -1.08 -4.89 114.94 120.66 2qaa s ASN 110 Ca 0.03 -0.93 0.27 0.00 0.21 0.00 0.00 52.86 52.43 2qaa s ASN 110 Cb 0.08 -2.38 0.85 0.00 -0.55 0.00 0.00 41.25 39.25 2qaa s ASN 110 CO 0.44 -1.25 1.77 0.71 -2.79 0.00 0.00 177.10 175.99 2qaa h THR 111 N 5.95 0.00 0.00 -5.21 1.35 -1.92 -3.32 112.91 109.76 2qaa h THR 111 Ca -0.28 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 2qaa h THR 111 Cb 1.08 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 2qaa h THR 111 CO 1.11 0.00 -0.53 0.35 -0.25 0.00 0.00 175.52 176.20 2qaa n THR 112 N -2.78 0.00 -2.16 6.82 -2.24 -1.26 -5.00 114.28 107.66 2qaa n THR 112 Ca 0.03 -0.29 -0.41 0.00 -2.27 0.00 0.00 64.05 61.11 2qaa n THR 112 Cb 0.39 0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 69.49 2qaa n THR 112 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2qaa s ILE 113 N -1.88 2.94 0.34 2.28 2.07 -1.25 -4.94 121.20 120.75 2qaa s ILE 113 Ca 0.02 0.85 -0.29 0.00 -1.41 0.00 0.00 60.65 59.82 2qaa s ILE 113 Cb 0.06 -3.54 -0.11 0.00 0.13 0.00 0.00 42.46 39.00 2qaa s ILE 113 CO 0.33 0.16 1.45 -2.16 -1.91 0.00 0.00 174.94 172.81 2qaa s PRO 114 N -0.91 4.20 -0.59 3.50 0.04 -1.26 -4.92 135.00 135.05 2qaa s PRO 114 Ca 0.53 2.44 0.05 0.00 0.04 0.00 0.00 61.00 64.07 2qaa s PRO 114 Cb -0.38 -3.02 0.20 0.00 0.04 0.00 0.00 34.50 31.34 2qaa s PRO 114 CO 0.45 -0.44 0.55 1.63 0.04 0.00 0.00 177.00 179.23 2qaa n LYS 115 N 1.01 1.60 -2.09 4.56 5.02 -1.26 -0.68 118.16 126.31 2qaa n LYS 115 Ca 0.02 -4.14 -0.41 0.00 -2.02 0.00 0.00 58.31 51.76 2qaa n LYS 115 Cb 0.40 -2.03 -0.02 0.00 -0.02 0.00 0.00 35.03 33.36 2qaa n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qaa s ASP 116 N -1.46 6.74 -1.52 4.39 1.01 -0.78 -4.88 116.67 120.17 2qaa s ASP 116 Ca 0.32 2.60 -0.09 0.00 0.71 0.00 0.00 52.55 56.10 2qaa s ASP 116 Cb 0.06 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 2qaa s ASP 116 CO -0.12 -0.62 2.74 0.61 0.21 0.00 0.00 175.17 177.98 2qaa n GLY 117 N 1.96 4.59 3.47 0.21 0.00 -1.26 -4.61 105.19 109.54 2qaa n GLY 117 Ca 0.05 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.27 2qaa n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qaa s THR 118 N 1.03 0.00 -0.39 2.61 -4.23 -1.26 -2.23 115.64 111.17 2qaa s THR 118 Ca 0.64 -1.60 0.04 0.00 -1.18 0.00 0.00 61.69 59.58 2qaa s THR 118 Cb 0.18 -2.32 0.11 0.00 1.34 0.00 0.00 72.50 71.81 2qaa s THR 118 CO -0.07 0.00 0.11 -0.69 -0.54 0.00 0.00 174.62 173.43 2qaa s VAL 119 N -4.00 2.33 0.00 2.29 1.01 0.15 -1.30 120.40 120.89 2qaa s VAL 119 Ca 0.28 -2.61 0.00 0.00 0.00 0.00 0.00 61.98 59.65 2qaa s VAL 119 Cb 0.02 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.70 2qaa s VAL 119 CO 0.11 -0.66 0.00 0.61 0.00 0.00 0.00 175.10 175.16 2qaa n GLY 120 N 3.94 3.33 0.00 4.51 0.00 -1.06 -1.07 105.19 114.83 2qaa n GLY 120 Ca 0.04 -0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.16 2qaa n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qaa n GLY 121 N 0.00 -0.97 3.61 -0.02 0.00 -1.26 -4.77 105.19 101.78 2qaa n GLY 121 Ca 0.00 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 2qaa n GLY 121 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qaa s GLN 122 N -2.00 4.02 0.36 1.61 2.00 -0.23 -5.04 119.66 120.37 2qaa s GLN 122 Ca 0.45 0.20 -0.28 0.00 -2.00 0.00 0.00 55.36 53.74 2qaa s GLN 122 Cb 0.21 -3.67 -0.10 0.00 0.80 0.00 0.00 33.01 30.25 2qaa s GLN 122 CO 0.35 -0.36 1.32 -0.51 -0.50 0.00 0.00 175.29 175.59 2qaa s ASP 123 N 1.59 6.59 -0.14 6.67 1.01 -1.26 -0.67 116.67 130.46 2qaa s ASP 123 Ca 0.19 2.70 -0.00 0.00 0.71 0.00 0.00 52.55 56.16 2qaa s ASP 123 Cb -0.16 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.11 2qaa s ASP 123 CO 0.10 -0.66 -0.14 -0.63 0.21 0.00 0.00 175.17 174.05 2qaa s ILE 124 N -1.18 2.95 -0.07 0.77 -1.09 -0.95 -4.24 121.20 117.39 2qaa s ILE 124 Ca 0.52 -0.69 0.06 0.00 -2.23 0.00 0.00 60.65 58.31 2qaa s ILE 124 Cb -0.40 -2.24 -0.09 0.00 -1.58 0.00 0.00 42.46 38.16 2qaa s ILE 124 CO 0.52 0.52 0.02 0.35 -1.23 0.00 0.00 174.94 175.13 2qaa n THR 125 N 3.65 0.48 -3.78 2.92 -2.24 0.34 -4.67 114.28 110.98 2qaa n THR 125 Ca -0.18 -0.30 -0.07 0.00 -2.27 0.00 0.00 64.05 61.23 2qaa n THR 125 Cb 0.52 -0.81 -0.02 0.00 -2.10 0.00 0.00 70.33 67.92 2qaa n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2qaa s SER 126 N -3.88 -0.29 0.20 3.42 1.04 -1.20 -4.73 113.70 108.26 2qaa s SER 126 Ca -0.04 -0.49 -0.03 0.00 0.48 0.00 0.00 55.95 55.86 2qaa s SER 126 Cb 0.02 0.68 -0.05 0.00 0.10 0.00 0.00 66.02 66.77 2qaa s SER 126 CO 0.29 -1.23 0.43 0.00 0.98 0.00 0.00 173.24 173.70 2qaa s ALA 127 N -3.80 3.76 0.07 5.32 0.00 -1.26 -0.78 121.76 125.07 2qaa s ALA 127 Ca 0.10 -0.65 -0.07 0.00 0.00 0.00 0.00 51.96 51.34 2qaa s ALA 127 Cb -0.05 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.93 2qaa s ALA 127 CO 0.04 0.48 0.14 0.00 0.00 0.00 0.00 175.76 176.42 2qaa s ALA 128 N -1.84 -0.07 0.27 0.00 0.00 -0.36 -4.82 121.76 114.93 2qaa s ALA 128 Ca 0.41 -0.70 -0.29 0.00 0.00 0.00 0.00 51.96 51.38 2qaa s ALA 128 Cb -0.11 0.40 -0.09 0.00 0.00 0.00 0.00 23.12 23.31 2qaa s ALA 128 CO 0.27 -0.45 1.18 -0.80 0.00 0.00 0.00 175.76 175.96 2qaa s ASN 129 N -2.73 7.10 0.64 0.00 -0.87 -1.26 -4.47 114.94 113.35 2qaa s ASN 129 Ca 0.03 2.37 -0.18 0.00 -1.57 0.00 0.00 52.86 53.51 2qaa s ASN 129 Cb 0.04 -2.63 -0.02 0.00 -0.02 0.00 0.00 41.25 38.63 2qaa s ASN 129 CO -0.10 -0.30 1.26 0.00 -2.57 0.00 0.00 177.10 175.40 2qaa s ALA 130 N -0.88 2.41 0.09 0.60 0.00 -1.26 -5.04 121.76 117.68 2qaa s ALA 130 Ca 0.48 1.12 0.06 0.00 0.00 0.00 0.00 51.96 53.62 2qaa s ALA 130 Cb -0.34 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.23 2qaa s ALA 130 CO 0.43 -1.47 -0.17 0.95 0.00 0.00 0.00 175.76 175.49 2qaa s THR 131 N -1.51 1.38 0.23 0.00 -4.23 -1.26 -5.08 115.64 105.16 2qaa s THR 131 Ca 0.80 -1.42 -0.31 0.00 -1.18 0.00 0.00 61.69 59.59 2qaa s THR 131 Cb -0.34 -1.29 -0.11 0.00 1.34 0.00 0.00 72.50 72.10 2qaa s THR 131 CO 0.38 -0.16 1.56 -0.69 -0.54 0.00 0.00 174.62 175.17 2qaa s VAL 132 N -1.25 2.40 0.00 2.29 1.01 -1.26 -1.58 120.40 122.01 2qaa s VAL 132 Ca 0.02 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.31 2qaa s VAL 132 Cb -0.10 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2qaa s VAL 132 CO 0.03 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2qaa n GLY 133 N 2.93 0.87 3.77 4.51 0.00 -0.11 -5.01 105.19 112.14 2qaa n GLY 133 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2qaa n GLY 133 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2qaa s MET 134 N -0.14 4.16 -0.14 1.61 0.00 -0.61 -4.61 119.30 119.57 2qaa s MET 134 Ca 0.00 2.49 -0.29 0.00 0.00 0.00 0.00 55.69 57.89 2qaa s MET 134 Cb 0.00 -3.00 -0.01 0.00 0.00 0.00 0.00 34.83 31.82 2qaa s MET 134 CO 0.00 -0.48 1.09 0.00 0.00 0.00 0.00 175.02 175.62 2qaa s ALA 135 N -0.86 3.54 0.11 4.11 0.00 -1.26 -1.03 121.76 126.36 2qaa s ALA 135 Ca 0.54 0.37 0.03 0.00 0.00 0.00 0.00 51.96 52.90 2qaa s ALA 135 Cb -0.45 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 2qaa s ALA 135 CO 0.58 -0.85 -0.08 0.14 0.00 0.00 0.00 175.76 175.54 2qaa s VAL 136 N 2.61 0.88 -0.02 0.00 -7.23 -0.25 -4.61 120.40 111.78 2qaa s VAL 136 Ca 0.49 -1.87 0.02 0.00 -1.81 0.00 0.00 61.98 58.81 2qaa s VAL 136 Cb -0.19 -1.62 -0.00 0.00 0.56 0.00 0.00 36.38 35.14 2qaa s VAL 136 CO 0.15 -0.75 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.22 2qaa s THR 137 N -3.18 0.70 0.02 5.32 2.01 -0.05 -1.13 115.64 119.33 2qaa s THR 137 Ca 0.11 -0.34 0.04 0.00 0.31 0.00 0.00 61.69 61.81 2qaa s THR 137 Cb 0.02 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 2qaa s THR 137 CO -0.02 0.21 -0.09 -0.60 -0.69 0.00 0.00 174.62 173.44 2qaa s ARG 138 N 0.04 2.45 -0.03 4.92 3.52 0.23 -0.55 118.95 129.53 2qaa s ARG 138 Ca -0.00 -0.79 0.05 0.00 -0.13 0.00 0.00 55.73 54.86 2qaa s ARG 138 Cb -0.06 -2.44 -0.01 0.00 -1.56 0.00 0.00 34.95 30.88 2qaa s ARG 138 CO 0.00 0.58 -0.19 0.50 -0.81 0.00 0.00 175.30 175.39 2qaa s ARG 139 N -1.49 1.70 0.21 5.12 3.52 -0.78 -1.30 118.95 125.93 2qaa s ARG 139 Ca 0.17 -0.67 -0.10 0.00 -0.13 0.00 0.00 55.73 55.01 2qaa s ARG 139 Cb -0.11 -1.56 -0.01 0.00 -1.56 0.00 0.00 34.95 31.71 2qaa s ARG 139 CO 0.08 0.34 0.36 0.20 -0.81 0.00 0.00 175.30 175.47 2qaa s GLY 140 N -0.23 0.66 0.15 8.12 0.00 -0.35 -3.39 107.32 112.27 2qaa s GLY 140 Ca 0.02 -1.00 0.26 0.00 0.00 0.00 0.00 44.72 44.00 2qaa s GLY 140 CO 0.01 -0.81 1.64 -1.14 0.00 0.00 0.00 173.10 172.79 2qaa n SER 141 N -0.31 0.69 -0.08 1.64 3.41 -1.12 -0.93 113.62 116.91 2qaa n SER 141 Ca -0.03 0.39 -0.16 0.00 -0.26 0.00 0.00 58.87 58.81 2qaa n SER 141 Cb 0.63 -0.43 -0.11 0.00 -0.26 0.00 0.00 64.21 64.04 2qaa n SER 141 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2qaa h THR 142 N 0.00 1.31 -0.01 6.66 2.02 -1.85 -3.43 112.91 117.61 2qaa h THR 142 Ca 0.00 -2.17 0.00 0.00 0.77 0.00 0.00 66.41 65.01 2qaa h THR 142 Cb 0.71 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.77 2qaa h THR 142 CO 0.00 0.44 -0.05 0.35 0.37 0.00 0.00 175.52 176.63 2qaa n THR 143 N -4.55 0.00 -4.52 3.16 -2.24 -1.24 -5.07 114.28 99.81 2qaa n THR 143 Ca -0.18 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 2qaa n THR 143 Cb 0.52 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 2qaa n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qaa n GLY 156 N 0.60 1.66 3.59 3.38 0.00 -0.11 -4.80 105.19 109.52 2qaa n GLY 156 Ca 0.05 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 2qaa n GLY 156 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qaa s THR 157 N 0.00 4.68 0.01 2.61 2.01 -1.26 -1.22 115.64 122.47 2qaa s THR 157 Ca 0.00 -0.07 -0.03 0.00 0.31 0.00 0.00 61.69 61.90 2qaa s THR 157 Cb 0.00 -3.13 -0.01 0.00 0.01 0.00 0.00 72.50 69.37 2qaa s THR 157 CO 0.00 0.43 0.05 -1.00 -0.69 0.00 0.00 174.62 173.41 2qaa s HIS 158 N 0.65 0.12 0.31 4.92 3.76 -0.42 -5.00 115.29 119.63 2qaa s HIS 158 Ca 0.03 -0.26 0.07 0.00 -0.15 0.00 0.00 55.06 54.76 2qaa s HIS 158 Cb -0.13 -0.10 -0.06 0.00 1.11 0.00 0.00 32.58 33.40 2qaa s HIS 158 CO 0.02 -0.21 -0.06 -1.54 -0.85 0.00 0.00 174.74 172.09 2qaa s SER 159 N -1.21 3.10 0.00 1.40 1.04 -1.26 -0.60 113.70 116.17 2qaa s SER 159 Ca -0.13 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.09 2qaa s SER 159 Cb -0.08 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.81 2qaa s SER 159 CO 0.00 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.52 2qaa n GLY 160 N -0.67 -0.75 3.14 7.32 0.00 -0.29 -4.65 105.19 109.29 2qaa n GLY 160 Ca -0.05 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 2qaa n GLY 160 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qaa s SER 161 N -4.00 1.14 -0.14 1.61 1.04 -1.26 -1.10 113.70 110.99 2qaa s SER 161 Ca 0.00 -0.80 -0.29 0.00 0.48 0.00 0.00 55.95 55.34 2qaa s SER 161 Cb 0.00 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.15 2qaa s SER 161 CO 0.00 -0.32 1.23 -0.69 0.98 0.00 0.00 173.24 174.44 2qaa s VAL 162 N -2.54 4.31 -0.10 5.02 1.01 -0.20 -2.57 120.40 125.33 2qaa s VAL 162 Ca 0.03 1.59 0.17 0.00 0.00 0.00 0.00 61.98 63.77 2qaa s VAL 162 Cb -0.02 -4.03 -0.26 0.00 0.00 0.00 0.00 36.38 32.07 2qaa s VAL 162 CO -0.02 -0.11 0.41 0.35 0.00 0.00 0.00 175.10 175.74 2qaa n THR 163 N 5.19 0.00 -3.51 3.92 -2.24 0.26 -0.93 114.28 116.98 2qaa n THR 163 Ca 0.13 -0.37 -0.10 0.00 -2.27 0.00 0.00 64.05 61.44 2qaa n THR 163 Cb 0.45 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.85 2qaa n THR 163 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qaa s ALA 164 N -3.14 -1.81 0.32 6.98 0.00 -1.13 -4.88 121.76 118.10 2qaa s ALA 164 Ca -0.05 1.07 0.08 0.00 0.00 0.00 0.00 51.96 53.06 2qaa s ALA 164 Cb 0.11 0.24 -0.06 0.00 0.00 0.00 0.00 23.12 23.41 2qaa s ALA 164 CO 0.72 -0.60 -0.08 -0.51 0.00 0.00 0.00 175.76 175.29 2qaa s LEU 165 N -2.15 2.63 -1.43 0.00 1.43 -1.26 -0.75 118.68 117.15 2qaa s LEU 165 Ca 0.02 -1.20 -0.10 0.00 -1.03 0.00 0.00 54.13 51.81 2qaa s LEU 165 Cb -0.01 -0.85 0.04 0.00 0.03 0.00 0.00 46.19 45.40 2qaa s LEU 165 CO -0.06 -0.27 1.06 -3.20 0.23 0.00 0.00 176.35 174.11 2qaa n ASN 166 N -0.71 -5.82 -4.76 2.29 5.15 -0.87 -4.91 115.26 105.61 2qaa n ASN 166 Ca -0.05 -0.59 -0.39 0.00 -0.60 0.00 0.00 54.58 52.95 2qaa n ASN 166 Cb 0.64 -4.61 -0.06 0.00 -0.53 0.00 0.00 39.78 35.22 2qaa n ASN 166 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qaa s ALA 167 N -3.29 3.28 -0.19 5.20 0.00 -0.22 -4.38 121.76 122.15 2qaa s ALA 167 Ca 0.59 0.60 -0.11 0.00 0.00 0.00 0.00 51.96 53.04 2qaa s ALA 167 Cb -0.27 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 2qaa s ALA 167 CO 0.73 0.16 0.17 0.99 0.00 0.00 0.00 175.76 177.80 2qaa s THR 168 N -1.38 5.39 -0.10 0.00 2.01 -1.26 -1.24 115.64 119.07 2qaa s THR 168 Ca 0.46 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.73 2qaa s THR 168 Cb -0.23 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 68.80 2qaa s THR 168 CO 0.29 0.43 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.86 2qaa s VAL 169 N 0.34 1.11 -0.43 3.82 1.01 -0.04 -5.00 120.40 121.21 2qaa s VAL 169 Ca 0.10 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 2qaa s VAL 169 Cb -0.11 -1.07 0.07 0.00 0.00 0.00 0.00 36.38 35.26 2qaa s VAL 169 CO -0.01 0.37 0.31 0.21 0.00 0.00 0.00 175.10 175.98 2qaa s ASN 170 N 1.26 5.88 0.00 3.32 2.47 -1.26 -0.89 114.94 125.71 2qaa s ASN 170 Ca -0.03 -1.33 0.30 0.00 0.42 0.00 0.00 52.86 52.23 2qaa s ASN 170 Cb -0.14 -2.08 1.56 0.00 -1.45 0.00 0.00 41.25 39.15 2qaa s ASN 170 CO -0.03 -0.55 2.03 -1.22 -3.72 0.00 0.00 177.10 173.61 2qaa n TYR 171 N 5.05 0.00 0.00 0.43 4.01 -0.12 -4.99 117.16 121.54 2qaa n TYR 171 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 2qaa n TYR 171 Cb 0.44 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 2qaa n TYR 171 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qaa n GLY 172 N 1.07 0.28 2.48 2.72 0.00 -1.25 -4.87 105.19 105.62 2qaa n GLY 172 Ca 0.22 -1.72 -0.17 0.00 0.00 0.00 0.00 46.02 44.35 2qaa n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qaa n GLY 173 N 0.39 1.59 0.00 -0.02 0.00 -1.26 -1.60 105.19 104.29 2qaa n GLY 173 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2qaa n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qaa n GLY 174 N -0.91 0.23 3.33 -0.02 0.00 -1.26 -5.02 105.19 101.55 2qaa n GLY 174 Ca -0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 2qaa n GLY 174 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qaa n ASP 175 N 0.00 5.39 -4.77 1.61 8.00 -0.63 -4.94 116.55 121.21 2qaa n ASP 175 Ca 0.00 -3.04 -0.36 0.00 0.71 0.00 0.00 54.79 52.10 2qaa n ASP 175 Cb 0.00 -1.48 -0.08 0.00 -0.02 0.00 0.00 41.12 39.54 2qaa n ASP 175 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qaa s VAL 176 N 0.23 5.24 0.18 2.53 1.01 -1.26 -0.94 120.40 127.38 2qaa s VAL 176 Ca 0.38 0.12 0.10 0.00 0.00 0.00 0.00 61.98 62.58 2qaa s VAL 176 Cb -0.03 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2qaa s VAL 176 CO -0.02 0.54 -0.22 0.68 0.00 0.00 0.00 175.10 176.08 2qaa s VAL 177 N -0.35 2.12 0.19 2.92 -7.23 -0.07 -0.76 120.40 117.21 2qaa s VAL 177 Ca 0.11 -1.95 0.04 0.00 -1.81 0.00 0.00 61.98 58.36 2qaa s VAL 177 Cb -0.12 -1.98 -0.05 0.00 0.56 0.00 0.00 36.38 34.79 2qaa s VAL 177 CO 0.01 -0.18 -0.06 -0.31 -0.31 0.00 0.00 175.10 174.26 2qaa s TYR 178 N -1.76 1.42 -0.85 2.82 2.02 -0.36 -0.86 117.35 119.77 2qaa s TYR 178 Ca 0.18 -0.83 0.00 0.00 -0.37 0.00 0.00 57.07 56.05 2qaa s TYR 178 Cb -0.07 -0.77 0.00 0.00 -0.40 0.00 0.00 41.96 40.72 2qaa s TYR 178 CO 0.08 0.03 0.00 0.41 -1.57 0.00 0.00 175.55 174.50 2qaa n GLY 179 N -0.31 0.62 3.89 0.71 0.00 -1.00 -4.79 105.19 104.31 2qaa n GLY 179 Ca -0.08 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 2qaa n GLY 179 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qaa s MET 180 N -3.45 3.70 -0.25 1.61 -1.94 -0.37 -4.41 119.30 114.18 2qaa s MET 180 Ca 0.00 0.25 -0.20 0.00 -1.71 0.00 0.00 55.69 54.03 2qaa s MET 180 Cb 0.00 -2.49 -0.02 0.00 2.01 0.00 0.00 34.83 34.33 2qaa s MET 180 CO 0.00 0.05 0.63 0.42 -0.01 0.00 0.00 175.02 176.11 2qaa s ILE 181 N -2.29 4.98 -0.07 2.53 1.01 -0.01 -1.06 121.20 126.30 2qaa s ILE 181 Ca 0.48 1.14 -0.12 0.00 0.00 0.00 0.00 60.65 62.14 2qaa s ILE 181 Cb -0.10 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 2qaa s ILE 181 CO 0.32 0.03 0.31 -0.60 0.00 0.00 0.00 174.94 175.00 2qaa s ARG 182 N 2.50 3.84 0.15 2.79 3.52 0.07 -0.84 118.95 130.98 2qaa s ARG 182 Ca 0.26 0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 56.05 2qaa s ARG 182 Cb -0.15 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 29.95 2qaa s ARG 182 CO 0.08 0.63 0.08 0.95 -0.81 0.00 0.00 175.30 176.24 2qaa s THR 183 N -0.77 0.08 -0.31 4.11 -4.23 -0.66 -0.57 115.64 113.28 2qaa s THR 183 Ca 0.20 -1.90 0.11 0.00 -1.18 0.00 0.00 61.69 58.92 2qaa s THR 183 Cb -0.15 -2.13 0.75 0.00 1.34 0.00 0.00 72.50 72.32 2qaa s THR 183 CO 0.09 -0.36 1.71 -0.46 -0.54 0.00 0.00 174.62 175.06 2qaa n ASN 184 N -0.13 5.16 -4.79 3.99 0.23 -1.06 -2.30 115.26 116.35 2qaa n ASN 184 Ca -0.04 -2.99 -0.38 0.00 -0.53 0.00 0.00 54.58 50.64 2qaa n ASN 184 Cb 0.64 -0.70 -0.06 0.00 -2.08 0.00 0.00 39.78 37.58 2qaa n ASN 184 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2qaa s VAL 190 N -2.74 4.41 0.51 3.53 1.01 -1.26 -4.63 120.40 121.23 2qaa s VAL 190 Ca 0.52 1.57 -0.08 0.00 0.00 0.00 0.00 61.98 63.99 2qaa s VAL 190 Cb 0.40 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2qaa s VAL 190 CO 0.14 0.34 0.85 0.00 0.00 0.00 0.00 175.10 176.43 2qaa s ALA 192 N -2.80 -1.57 0.12 0.00 0.00 -1.26 -4.94 121.76 111.32 2qaa s ALA 192 Ca 0.50 0.42 -0.02 0.00 0.00 0.00 0.00 51.96 52.86 2qaa s ALA 192 Cb -0.10 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 2qaa s ALA 192 CO 0.45 -0.80 0.08 -1.21 0.00 0.00 0.00 175.76 174.27 2qaa s GLU 192 N -3.73 0.91 0.22 0.00 2.02 -1.26 -4.51 118.70 112.35 2qaa s GLU 192 Ca 0.03 -1.37 -0.32 0.00 0.02 0.00 0.00 54.97 53.33 2qaa s GLU 192 Cb -0.02 0.26 -0.14 0.00 0.10 0.00 0.00 34.13 34.33 2qaa s GLU 192 CO -0.10 -0.26 1.35 -2.30 0.02 0.00 0.00 175.26 173.97 2qaa n PRO 192 N -0.08 1.82 0.00 0.39 -0.02 -1.26 -1.14 135.00 134.71 2qaa n PRO 192 Ca -0.07 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2qaa n PRO 192 Cb 0.63 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2qaa n PRO 192 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qaa n GLY 193 N 2.15 3.35 0.16 -1.23 0.00 -1.26 -4.74 105.19 103.61 2qaa n GLY 193 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 2qaa n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qaa h ASP 194 N 0.02 0.00 -3.10 1.61 3.32 -1.46 -3.16 116.42 113.65 2qaa h ASP 194 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 2qaa h ASP 194 Cb 0.00 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.67 2qaa h ASP 194 CO 0.00 0.00 0.34 -1.20 -1.72 0.00 0.00 179.24 176.66 2qaa n SER 195 N -2.53 2.06 0.00 6.45 7.64 -1.26 -1.61 113.62 124.37 2qaa n SER 195 Ca 0.04 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.07 2qaa n SER 195 Cb 0.39 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 2qaa n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qaa n GLY 196 N 0.97 2.71 3.79 0.23 0.00 0.33 -1.01 105.19 112.21 2qaa n GLY 196 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 2qaa n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qaa s GLY 197 N -1.79 1.65 0.43 -0.02 0.00 -0.64 -2.40 107.32 104.55 2qaa s GLY 197 Ca 0.00 0.06 -0.23 0.00 0.00 0.00 0.00 44.72 44.56 2qaa s GLY 197 CO 0.00 0.43 1.07 2.56 0.00 0.00 0.00 173.10 177.16 2qaa s PRO 198 N -5.01 4.00 -0.18 2.90 0.04 -1.22 -0.72 135.00 134.81 2qaa s PRO 198 Ca 0.60 1.53 -0.03 0.00 0.04 0.00 0.00 61.00 63.14 2qaa s PRO 198 Cb -0.16 -2.41 -0.02 0.00 0.04 0.00 0.00 34.50 31.95 2qaa s PRO 198 CO 0.55 -0.29 -0.05 -1.17 0.04 0.00 0.00 177.00 176.08 2qaa s LEU 199 N -2.91 3.00 0.19 -3.56 2.96 0.11 -1.86 118.68 116.61 2qaa s LEU 199 Ca 0.61 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 2qaa s LEU 199 Cb -0.22 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 2qaa s LEU 199 CO 0.27 0.08 -0.00 -0.72 -1.32 0.00 0.00 176.35 174.65 2qaa s TYR 200 N 0.91 1.31 -0.18 5.38 1.13 0.29 -0.68 117.35 125.52 2qaa s TYR 200 Ca -0.01 -0.98 -0.04 0.00 -1.41 0.00 0.00 57.07 54.63 2qaa s TYR 200 Cb -0.15 -0.74 0.07 0.00 -1.10 0.00 0.00 41.96 40.04 2qaa s TYR 200 CO 0.01 -0.15 0.16 0.45 -2.51 0.00 0.00 175.55 173.50 2qaa s SER 201 N -3.21 1.73 1.92 -0.18 0.15 -0.31 -0.87 113.70 112.94 2qaa s SER 201 Ca 0.25 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.56 2qaa s SER 201 Cb 0.06 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2qaa s SER 201 CO 0.05 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2qaa n GLY 202 N 5.30 3.50 1.01 9.45 0.00 -1.26 -1.28 105.19 121.91 2qaa n GLY 202 Ca -0.06 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 45.92 2qaa n GLY 202 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qaa n THR 207 N 0.00 0.92 -3.82 2.61 -2.24 -1.26 -4.89 114.28 105.59 2qaa n THR 207 Ca 0.00 -0.70 -0.35 0.00 -2.27 0.00 0.00 64.05 60.73 2qaa n THR 207 Cb 0.00 0.16 -0.09 0.00 -2.10 0.00 0.00 70.33 68.30 2qaa n THR 207 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2qaa s ARG 208 N -1.55 4.10 0.03 -0.78 0.52 -0.40 -0.50 118.95 120.37 2qaa s ARG 208 Ca 0.33 -0.27 -0.30 0.00 -0.52 0.00 0.00 55.73 54.96 2qaa s ARG 208 Cb 0.19 -3.35 -0.05 0.00 0.52 0.00 0.00 34.95 32.26 2qaa s ARG 208 CO 0.19 0.27 1.17 0.00 0.02 0.00 0.00 175.30 176.95 2qaa s ALA 209 N 0.43 3.38 -0.02 2.13 0.00 0.04 -1.16 121.76 126.56 2qaa s ALA 209 Ca 0.06 0.75 -0.01 0.00 0.00 0.00 0.00 51.96 52.77 2qaa s ALA 209 Cb -0.12 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 2qaa s ALA 209 CO -0.01 -0.48 -0.02 -0.89 0.00 0.00 0.00 175.76 174.36 2qaa n ILE 210 N 4.09 0.09 -3.93 0.00 2.08 0.14 -1.23 119.36 120.60 2qaa n ILE 210 Ca 0.09 -0.03 -0.09 0.00 0.56 0.00 0.00 62.75 63.28 2qaa n ILE 210 Cb 0.47 -1.33 -0.02 0.00 -0.75 0.00 0.00 39.64 38.01 2qaa n ILE 210 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 2qaa s GLY 211 N -4.85 0.48 -0.08 7.39 0.00 -0.52 -1.32 107.32 108.41 2qaa s GLY 211 Ca -0.02 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 43.93 2qaa s GLY 211 CO 0.03 -0.47 -0.17 1.08 0.00 0.00 0.00 173.10 173.57 2qaa s LEU 212 N -3.04 1.81 0.04 0.66 1.43 -0.16 -0.72 118.68 118.71 2qaa s LEU 212 Ca 0.19 -0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 2qaa s LEU 212 Cb -0.03 -1.05 -0.08 0.00 0.03 0.00 0.00 46.19 45.06 2qaa s LEU 212 CO 0.11 0.08 1.68 -0.89 0.23 0.00 0.00 176.35 177.56 2qaa s THR 213 N 0.55 3.16 -0.16 5.49 2.01 0.11 -0.79 115.64 126.01 2qaa s THR 213 Ca -0.16 0.49 -0.13 0.00 0.31 0.00 0.00 61.69 62.21 2qaa s THR 213 Cb -0.17 -3.32 -0.07 0.00 0.01 0.00 0.00 72.50 68.96 2qaa s THR 213 CO 0.06 -0.01 -0.27 -0.24 -0.69 0.00 0.00 174.62 173.46 2qaa n SER 214 N 6.11 1.66 0.00 3.53 2.88 -0.33 -0.51 113.62 126.95 2qaa n SER 214 Ca 0.16 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 2qaa n SER 214 Cb 0.41 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 2qaa n SER 214 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qaa n GLY 215 N 1.81 -1.46 0.00 0.46 0.00 -1.12 -4.91 105.19 99.97 2qaa n GLY 215 Ca -0.24 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2qaa n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qaa n GLY 216 N -0.15 -0.13 3.34 -0.02 0.00 -1.26 -0.33 105.19 106.64 2qaa n GLY 216 Ca 0.00 -1.19 -0.17 0.00 0.00 0.00 0.00 46.02 44.66 2qaa n GLY 216 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qaa s SER 217 N -4.00 1.82 0.00 1.61 1.04 -0.19 -5.00 113.70 108.98 2qaa s SER 217 Ca 0.00 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.19 2qaa s SER 217 Cb 0.00 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.13 2qaa s SER 217 CO 0.00 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2qaa n GLY 218 N -0.44 -1.57 3.82 7.32 0.00 -1.26 -1.89 105.19 111.17 2qaa n GLY 218 Ca -0.05 -1.33 -0.08 0.00 0.00 0.00 0.00 46.02 44.56 2qaa n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qaa s ASN 219 N -4.00 -0.02 0.24 1.61 2.20 -0.82 -4.85 114.94 109.31 2qaa s ASN 219 Ca 0.00 -1.07 0.25 0.00 -0.94 0.00 0.00 52.86 51.11 2qaa s ASN 219 Cb 0.00 0.81 0.86 0.00 -2.00 0.00 0.00 41.25 40.93 2qaa s ASN 219 CO 0.00 -1.61 1.76 0.00 -2.94 0.00 0.00 177.10 174.31 2qaa h SER 221 N 0.00 0.34 -0.02 0.00 0.02 -1.99 -3.39 113.55 108.51 2qaa h SER 221 Ca 0.00 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 2qaa h SER 221 Cb 0.62 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2qaa h SER 221 CO 0.00 1.40 0.00 -1.54 -1.14 0.00 0.00 176.83 175.55 2qaa n SER 222 N -4.17 1.97 0.00 3.07 3.41 -1.24 -5.09 113.62 111.57 2qaa n SER 222 Ca -0.17 -1.49 0.00 0.00 -0.26 0.00 0.00 58.87 56.95 2qaa n SER 222 Cb 0.78 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 2qaa n SER 222 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qaa n GLY 223 N 0.65 1.92 2.38 5.00 0.00 0.12 -4.93 105.19 110.34 2qaa n GLY 223 Ca 0.07 -1.90 -0.04 0.00 0.00 0.00 0.00 46.02 44.15 2qaa n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qaa n GLY 224 N 1.87 1.11 3.04 -0.02 0.00 -1.23 -1.95 105.19 108.00 2qaa n GLY 224 Ca 0.00 -1.11 -0.28 0.00 0.00 0.00 0.00 46.02 44.62 2qaa n GLY 224 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qaa s THR 225 N -2.34 1.46 -0.04 2.61 2.01 -0.79 -4.17 115.64 114.38 2qaa s THR 225 Ca 0.12 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.56 2qaa s THR 225 Cb -0.02 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 71.13 2qaa s THR 225 CO 0.05 0.44 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.33 2qaa s THR 226 N 1.11 1.61 -0.07 -0.82 2.01 -0.97 -1.02 115.64 117.50 2qaa s THR 226 Ca -0.04 -0.83 -0.03 0.00 0.31 0.00 0.00 61.69 61.10 2qaa s THR 226 Cb -0.14 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 2qaa s THR 226 CO -0.03 0.46 0.09 -0.36 -0.69 0.00 0.00 174.62 174.08 2qaa s PHE 227 N -0.11 3.38 0.00 4.92 0.08 0.56 -1.66 117.98 125.15 2qaa s PHE 227 Ca -0.02 0.33 0.06 0.00 0.12 0.00 0.00 56.93 57.42 2qaa s PHE 227 Cb -0.11 -1.83 -0.02 0.00 -0.57 0.00 0.00 43.02 40.49 2qaa s PHE 227 CO 0.02 0.60 -0.18 -0.06 -0.10 0.00 0.00 175.22 175.50 2qaa s PHE 228 N -1.05 1.64 -0.05 0.36 0.40 -0.02 -1.19 117.98 118.06 2qaa s PHE 228 Ca 0.18 -0.32 -0.30 0.00 -0.60 0.00 0.00 56.93 55.88 2qaa s PHE 228 Cb -0.12 -1.03 -0.03 0.00 0.51 0.00 0.00 43.02 42.35 2qaa s PHE 228 CO 0.07 -0.00 1.13 -1.14 0.70 0.00 0.00 175.22 175.98 2qaa s GLN 229 N -0.62 4.39 0.17 0.44 2.00 0.03 -0.83 119.66 125.25 2qaa s GLN 229 Ca 0.07 1.59 -0.34 0.00 -2.00 0.00 0.00 55.36 54.68 2qaa s GLN 229 Cb -0.07 -3.52 -0.14 0.00 0.80 0.00 0.00 33.01 30.08 2qaa s GLN 229 CO -0.00 -0.36 1.59 -2.30 -0.50 0.00 0.00 175.29 173.72 2qaa n PRO 230 N 4.91 2.20 0.08 1.67 -0.02 -1.26 -0.99 135.00 141.60 2qaa n PRO 230 Ca 0.10 0.80 -0.02 0.00 -2.02 0.00 0.00 63.50 62.35 2qaa n PRO 230 Cb 0.47 -2.57 0.23 0.00 -0.02 0.00 0.00 33.50 31.61 2qaa n PRO 230 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2qaa h VAL 231 N 3.63 1.30 -0.93 -1.45 3.04 -1.51 -3.02 116.25 117.30 2qaa h VAL 231 Ca -0.45 -1.45 0.18 0.00 -1.01 0.00 0.00 66.70 63.97 2qaa h VAL 231 Cb 1.25 1.62 -0.11 0.00 -2.01 0.00 0.00 31.29 32.04 2qaa h VAL 231 CO 0.89 0.44 0.52 0.71 -1.01 0.00 0.00 177.57 179.12 2qaa h THR 232 N 0.24 0.67 -0.71 3.17 1.35 -1.85 -1.19 112.91 114.59 2qaa h THR 232 Ca 0.03 -0.22 -0.06 0.00 -0.55 0.00 0.00 66.41 65.61 2qaa h THR 232 Cb 0.78 -0.04 -0.03 0.00 -1.73 0.00 0.00 68.15 67.13 2qaa h THR 232 CO 0.06 0.12 0.23 -0.08 -0.25 0.00 0.00 175.52 175.60 2qaa h GLU 233 N 0.65 1.11 -0.46 4.72 4.81 -1.92 -1.22 114.58 122.26 2qaa h GLU 233 Ca 0.54 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 2qaa h GLU 233 Cb 0.85 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 2qaa h GLU 233 CO -0.40 0.94 0.09 0.00 -0.73 0.00 0.00 179.01 178.91 2qaa h ALA 234 N 1.11 0.61 -0.43 2.92 0.00 -1.41 -0.25 119.26 121.81 2qaa h ALA 234 Ca 0.23 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2qaa h ALA 234 Cb 0.30 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2qaa h ALA 234 CO -0.01 0.32 0.26 -0.07 0.00 0.00 0.00 179.25 179.75 2qaa h LEU 235 N 0.62 0.43 -0.52 0.00 3.38 -0.99 -1.67 115.31 116.56 2qaa h LEU 235 Ca 0.14 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 2qaa h LEU 235 Cb 0.37 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2qaa h LEU 235 CO 0.01 0.31 -0.28 0.28 0.09 0.00 0.00 178.44 178.84 2qaa h SER 235 N 0.53 0.94 -0.63 -0.43 0.02 -1.13 -0.13 113.55 112.72 2qaa h SER 235 Ca 0.17 -0.38 -0.06 0.00 -0.84 0.00 0.00 61.79 60.68 2qaa h SER 235 Cb -0.00 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 2qaa h SER 235 CO -0.07 1.15 0.16 0.00 -1.14 0.00 0.00 176.83 176.93 2qaa h ALA 236 N 0.91 1.05 -0.01 3.77 0.00 -0.76 -3.19 119.26 121.02 2qaa h ALA 236 Ca 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2qaa h ALA 236 Cb 0.85 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2qaa h ALA 236 CO 0.07 0.63 -0.75 0.66 0.00 0.00 0.00 179.25 179.86 2qaa n TYR 237 N -4.24 0.00 -3.24 0.00 4.01 -0.65 -5.00 117.16 108.04 2qaa n TYR 237 Ca 0.05 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.63 2qaa n TYR 237 Cb 0.25 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.34 2qaa n TYR 237 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qaa n GLY 238 N 1.44 -0.11 3.47 2.72 0.00 -0.09 -5.03 105.19 107.59 2qaa n GLY 238 Ca 0.06 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 2qaa n GLY 238 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qaa s VAL 239 N -3.23 1.74 0.03 1.61 -7.23 -1.01 -4.67 120.40 107.63 2qaa s VAL 239 Ca 0.35 -2.11 0.05 0.00 -1.81 0.00 0.00 61.98 58.46 2qaa s VAL 239 Cb -0.15 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 2qaa s VAL 239 CO 0.52 -0.21 -0.14 -0.44 -0.31 0.00 0.00 175.10 174.52 2qaa s SER 240 N -3.51 1.66 0.81 4.85 0.01 -0.14 -4.67 113.70 112.72 2qaa s SER 240 Ca 0.32 -0.40 -0.11 0.00 1.31 0.00 0.00 55.95 57.06 2qaa s SER 240 Cb 0.05 -0.13 0.08 0.00 0.21 0.00 0.00 66.02 66.23 2qaa s SER 240 CO 0.14 0.07 1.09 0.68 0.41 0.00 0.00 173.24 175.63 2qaa s VAL 241 N -0.71 3.12 0.00 3.43 -7.23 -1.26 -1.12 120.40 116.63 2qaa s VAL 241 Ca 0.03 0.36 0.00 0.00 -1.81 0.00 0.00 61.98 60.56 2qaa s VAL 241 Cb -0.07 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.91 2qaa s VAL 241 CO 0.01 -0.48 0.00 0.00 -0.31 0.00 0.00 175.10 174.32