#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 0.74 0.23 9.51 1.04 -1.26 -1.73 113.70 122.23 2qaa s SER 17 Ca 0.00 -1.42 -0.32 0.00 0.48 0.00 0.00 55.95 54.70 2qaa s SER 17 Cb 0.00 0.60 -0.13 0.00 0.10 0.00 0.00 66.02 66.58 2qaa s SER 17 CO 0.00 -1.17 1.49 0.61 0.98 0.00 0.00 173.24 175.15 2qaa n GLY 18 N -0.50 0.99 0.41 7.32 0.00 -0.47 -2.05 105.19 110.89 2qaa n GLY 18 Ca 0.02 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 2.49 1.52 3.81 -0.02 0.00 0.62 -2.96 105.19 110.64 2qaa n GLY 19 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.78 5.72 0.43 1.61 1.01 -0.87 -2.36 116.67 120.43 2qaa s ASP 29 Ca 0.00 1.78 -0.26 0.00 0.71 0.00 0.00 52.55 54.79 2qaa s ASP 29 Cb 0.00 -2.53 -0.08 0.00 1.01 0.00 0.00 42.92 41.32 2qaa s ASP 29 CO 0.00 -1.21 1.34 0.00 0.21 0.00 0.00 175.17 175.51 2qaa s ALA 30 N -2.55 3.23 0.02 5.23 0.00 -1.26 -0.81 121.76 125.62 2qaa s ALA 30 Ca 0.63 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.90 2qaa s ALA 30 Cb -0.16 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 2qaa s ALA 30 CO 0.40 -0.95 -0.07 0.96 0.00 0.00 0.00 175.76 176.10 2qaa s ILE 31 N -1.25 0.50 -0.09 0.00 -4.36 -0.57 -4.77 121.20 110.65 2qaa s ILE 31 Ca 0.59 -0.73 0.02 0.00 -0.26 0.00 0.00 60.65 60.27 2qaa s ILE 31 Cb -0.40 -0.51 0.01 0.00 1.25 0.00 0.00 42.46 42.82 2qaa s ILE 31 CO 0.51 -0.17 -0.15 -0.31 0.24 0.00 0.00 174.94 175.05 2qaa s TYR 32 N -0.86 1.87 0.05 1.37 1.51 -0.03 -0.93 117.35 120.33 2qaa s TYR 32 Ca -0.05 -0.82 0.00 0.00 -1.01 0.00 0.00 57.07 55.20 2qaa s TYR 32 Cb -0.07 -1.34 0.01 0.00 -0.11 0.00 0.00 41.96 40.45 2qaa s TYR 32 CO 0.00 -0.41 0.07 -1.13 -1.11 0.00 0.00 175.55 172.97 2qaa n SER 33 N 4.02 0.12 0.19 2.29 3.41 -0.07 -0.45 113.62 123.13 2qaa n SER 33 Ca -0.20 -1.09 0.14 0.00 -0.26 0.00 0.00 58.87 57.46 2qaa n SER 33 Cb 0.52 -0.04 0.64 0.00 -0.26 0.00 0.00 64.21 65.07 2qaa n SER 33 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2qaa h SER 34 N -0.02 0.00 0.00 4.04 0.02 -1.96 -3.29 113.55 112.34 2qaa h SER 34 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2qaa h SER 34 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2qaa h SER 34 CO 0.03 0.00 -0.70 0.35 -1.14 0.00 0.00 176.83 175.36 2qaa n THR 39 N -2.49 0.00 -2.78 -2.27 -2.24 -1.26 -5.13 114.28 98.11 2qaa n THR 39 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2qaa n THR 39 Cb 0.17 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 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 1.86 -1.27 3.55 3.38 0.00 -1.24 -5.15 105.19 106.31 2qaa n GLY 40 Ca -0.00 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.47 3.13 0.00 1.61 3.52 -1.26 -0.89 118.95 124.58 2qaa s ARG 41 Ca 0.00 -0.54 0.00 0.00 -0.13 0.00 0.00 55.73 55.06 2qaa s ARG 41 Cb 0.00 -2.72 0.00 0.00 -1.56 0.00 0.00 34.95 30.67 2qaa s ARG 41 CO 0.00 0.49 0.00 0.00 -0.81 0.00 0.00 175.30 174.98 2qaa s SER 43 N 0.62 2.17 0.28 0.00 0.01 -0.19 -1.51 113.70 115.08 2qaa s SER 43 Ca 0.00 -0.42 -0.29 0.00 1.31 0.00 0.00 55.95 56.55 2qaa s SER 43 Cb 0.00 -0.20 -0.10 0.00 0.21 0.00 0.00 66.02 65.92 2qaa s SER 43 CO 0.00 0.17 1.38 -0.22 0.41 0.00 0.00 173.24 174.98 2qaa s LEU 44 N -0.80 4.40 0.00 2.44 0.20 0.01 -3.48 118.68 121.45 2qaa s LEU 44 Ca 0.06 2.66 0.00 0.00 0.69 0.00 0.00 54.13 57.55 2qaa s LEU 44 Cb -0.08 -3.63 0.00 0.00 -0.43 0.00 0.00 46.19 42.05 2qaa s LEU 44 CO 0.00 -0.63 0.00 0.61 -0.29 0.00 0.00 176.35 176.04 2qaa n GLY 45 N 1.65 1.21 3.00 7.98 0.00 0.73 -0.27 105.19 119.49 2qaa n GLY 45 Ca 0.04 0.00 -0.14 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 0.52 0.13 1.61 0.08 -1.17 -3.89 117.98 115.26 2qaa s PHE 46 Ca 0.00 -0.31 -0.30 0.00 0.12 0.00 0.00 56.93 56.44 2qaa s PHE 46 Cb 0.00 -0.32 -0.07 0.00 -0.57 0.00 0.00 43.02 42.06 2qaa s PHE 46 CO 0.00 -0.06 1.16 -0.80 -0.10 0.00 0.00 175.22 175.42 2qaa s ASN 47 N -0.89 7.15 0.22 1.36 0.01 -1.26 -1.04 114.94 120.48 2qaa s ASN 47 Ca -0.05 2.09 -0.00 0.00 -0.71 0.00 0.00 52.86 54.19 2qaa s ASN 47 Cb -0.06 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.96 2qaa s ASN 47 CO 0.00 -0.36 0.14 0.68 -1.51 0.00 0.00 177.10 176.05 2qaa s VAL 48 N 0.31 0.06 0.16 1.60 -7.23 -0.26 -3.91 120.40 111.13 2qaa s VAL 48 Ca 0.54 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.53 2qaa s VAL 48 Cb -0.30 -2.51 0.04 0.00 0.56 0.00 0.00 36.38 34.16 2qaa s VAL 48 CO 0.33 0.00 0.48 0.00 -0.31 0.00 0.00 175.10 175.61 2qaa s ARG 48 N -4.10 1.22 -0.20 4.82 1.70 -0.27 -1.07 118.95 121.06 2qaa s ARG 48 Ca 0.39 -0.71 -0.01 0.00 -0.47 0.00 0.00 55.73 54.93 2qaa s ARG 48 Cb 0.07 0.51 0.05 0.00 -0.57 0.00 0.00 34.95 35.01 2qaa s ARG 48 CO 0.13 -0.50 -0.03 0.45 -1.08 0.00 0.00 175.30 174.26 2qaa s SER 48 N -2.82 3.22 1.06 -2.89 0.15 -0.52 -1.14 113.70 110.75 2qaa s SER 48 Ca 0.05 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 55.81 2qaa s SER 48 Cb 0.00 -0.94 0.00 0.00 -1.71 0.00 0.00 66.02 63.37 2qaa s SER 48 CO -0.09 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2qaa n GLY 48 N 4.84 2.98 1.32 9.45 0.00 -1.26 -1.64 105.19 120.87 2qaa n GLY 48 Ca -0.11 -0.36 0.05 0.00 0.00 0.00 0.00 46.02 45.60 2qaa n GLY 48 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qaa n SER 48 N 1.48 3.81 -4.55 1.61 2.88 -1.26 -4.78 113.62 112.82 2qaa n SER 48 Ca 0.00 -2.52 -0.39 0.00 -1.33 0.00 0.00 58.87 54.64 2qaa n SER 48 Cb 0.00 -0.58 -0.11 0.00 -0.75 0.00 0.00 64.21 62.77 2qaa n SER 48 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2qaa s THR 49 N -2.02 5.18 -0.02 2.46 2.01 -0.65 -5.07 115.64 117.52 2qaa s THR 49 Ca 0.34 -0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.28 2qaa s THR 49 Cb 0.25 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 2qaa s THR 49 CO 0.11 0.15 0.17 -0.31 -0.69 0.00 0.00 174.62 174.06 2qaa s TYR 50 N 1.73 3.54 0.25 4.92 1.51 -1.26 -1.44 117.35 126.59 2qaa s TYR 50 Ca 0.06 0.36 -0.03 0.00 -1.01 0.00 0.00 57.07 56.46 2qaa s TYR 50 Cb -0.16 -1.83 -0.02 0.00 -0.11 0.00 0.00 41.96 39.83 2qaa s TYR 50 CO 0.10 0.65 0.28 0.71 -1.11 0.00 0.00 175.55 176.18 2qaa s TYR 51 N -1.29 1.06 0.08 2.71 1.51 -0.23 -2.02 117.35 119.16 2qaa s TYR 51 Ca 0.26 -1.27 0.04 0.00 -1.01 0.00 0.00 57.07 55.10 2qaa s TYR 51 Cb -0.13 -0.35 -0.03 0.00 -0.11 0.00 0.00 41.96 41.34 2qaa s TYR 51 CO 0.17 -0.82 -0.12 -0.59 -1.11 0.00 0.00 175.55 173.08 2qaa s PHE 52 N -3.86 1.10 0.13 2.71 -0.12 -0.05 -1.10 117.98 116.79 2qaa s PHE 52 Ca 0.34 -0.52 -0.11 0.00 -0.05 0.00 0.00 56.93 56.60 2qaa s PHE 52 Cb 0.04 -0.61 -0.06 0.00 -0.63 0.00 0.00 43.02 41.75 2qaa s PHE 52 CO 0.15 0.03 0.48 -0.51 -0.05 0.00 0.00 175.22 175.31 2qaa s LEU 53 N -1.91 4.31 0.00 -1.99 1.43 -0.20 -0.88 118.68 119.43 2qaa s LEU 53 Ca -0.01 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 2qaa s LEU 53 Cb -0.08 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 42.91 2qaa s LEU 53 CO 0.02 0.10 0.00 1.07 0.23 0.00 0.00 176.35 177.76 2qaa n THR 54 N 0.64 0.00 -2.50 5.49 5.66 -0.59 -0.19 114.28 122.78 2qaa n THR 54 Ca -0.05 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.58 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 -1.57 3.07 0.30 1.79 0.00 -1.26 -1.04 121.76 123.05 2qaa s ALA 55 Ca 0.00 0.73 0.03 0.00 0.00 0.00 0.00 51.96 52.72 2qaa s ALA 55 Cb 0.00 -3.29 0.49 0.00 0.00 0.00 0.00 23.12 20.32 2qaa s ALA 55 CO 0.00 -0.27 1.79 0.78 0.00 0.00 0.00 175.76 178.05 2qaa h GLY 56 N 2.43 0.54 2.00 0.00 0.00 -1.60 -2.33 103.07 104.12 2qaa h GLY 56 Ca -0.48 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.46 2qaa h GLY 56 CO 0.62 0.36 0.00 1.12 0.00 0.00 0.00 176.54 178.64 2qaa h HIS 57 N 0.46 0.00 0.16 5.60 2.07 -1.86 -0.77 115.15 120.81 2qaa h HIS 57 Ca 0.08 0.00 -0.33 0.00 -2.85 0.00 0.00 60.37 57.27 2qaa h HIS 57 Cb 0.52 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.50 2qaa h HIS 57 CO 0.02 0.00 -1.67 0.00 -3.07 0.00 0.00 177.93 173.20 2qaa h THR 59 N 0.09 0.35 -2.46 0.00 1.35 -1.22 -3.41 112.91 107.61 2qaa h THR 59 Ca -0.31 -1.32 -0.53 0.00 -0.55 0.00 0.00 66.41 63.70 2qaa h THR 59 Cb 2.07 2.02 0.02 0.00 -1.73 0.00 0.00 68.15 70.53 2qaa h THR 59 CO 0.17 0.18 1.17 -1.81 -0.25 0.00 0.00 175.52 174.99 2qaa s ASP 60 N -6.21 6.50 0.00 5.36 -0.00 -0.31 -1.39 116.67 120.61 2qaa s ASP 60 Ca 0.04 2.58 0.00 0.00 -0.00 0.00 0.00 52.55 55.17 2qaa s ASP 60 Cb 0.07 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 40.45 2qaa s ASP 60 CO 0.67 -1.01 0.00 0.61 -0.00 0.00 0.00 175.17 175.44 2qaa n GLY 62 N 4.39 1.70 3.89 0.21 0.00 -1.26 -5.01 105.19 109.11 2qaa n GLY 62 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.39 3.45 0.00 4.61 0.00 -0.49 -5.02 121.76 120.92 2qaa s ALA 63 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2qaa s ALA 63 Cb 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.57 2qaa s ALA 63 CO 0.00 0.04 0.00 0.25 0.00 0.00 0.00 175.76 176.05 2qaa n THR 64 N -1.27 0.00 -2.55 0.00 -2.24 -1.26 -4.66 114.28 102.30 2qaa n THR 64 Ca 0.01 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.44 2qaa n THR 64 Cb 0.54 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.73 2qaa n THR 64 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2qaa s THR 65 N 0.30 3.76 0.02 4.28 2.01 -1.26 -0.41 115.64 124.34 2qaa s THR 65 Ca 0.00 1.19 0.08 0.00 0.31 0.00 0.00 61.69 63.27 2qaa s THR 65 Cb 0.00 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 2qaa s THR 65 CO 0.00 -0.15 -0.23 0.26 -0.69 0.00 0.00 174.62 173.81 2qaa s TRP 66 N -1.86 2.05 0.23 4.92 0.52 -0.18 -3.98 118.94 120.63 2qaa s TRP 66 Ca 0.64 -0.39 0.10 0.00 0.02 0.00 0.00 56.10 56.46 2qaa s TRP 66 Cb -0.18 -1.25 -0.05 0.00 -1.15 0.00 0.00 33.47 30.83 2qaa s TRP 66 CO 0.23 0.06 -0.17 -1.58 0.02 0.00 0.00 176.95 175.50 2qaa s TRP 67 N -0.71 1.97 -0.63 -1.98 0.51 0.40 -0.25 118.94 118.26 2qaa s TRP 67 Ca 0.09 -0.46 0.24 0.00 -2.12 0.00 0.00 56.10 53.86 2qaa s TRP 67 Cb -0.09 -0.89 0.36 0.00 -0.81 0.00 0.00 33.47 32.04 2qaa s TRP 67 CO 0.01 0.51 1.34 0.00 -0.51 0.00 0.00 176.95 178.30 2qaa h ALA 68 N 2.51 0.61 -2.75 0.98 0.00 -1.22 -0.05 119.26 119.35 2qaa h ALA 68 Ca -0.39 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.21 2qaa h ALA 68 Cb 1.24 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.85 2qaa h ALA 68 CO 0.60 0.00 -0.73 0.54 0.00 0.00 0.00 179.25 179.66 2qaa s ASN 78 N -4.31 1.38 0.40 0.00 4.22 -1.26 -4.78 114.94 110.59 2qaa s ASN 78 Ca 0.06 -0.80 0.11 0.00 -2.14 0.00 0.00 52.86 50.10 2qaa s ASN 78 Cb 0.13 0.02 0.85 0.00 1.28 0.00 0.00 41.25 43.52 2qaa s ASN 78 CO 0.71 -0.27 1.93 -1.28 -2.04 0.00 0.00 177.10 176.16 2qaa h SER 79 N 3.61 0.13 0.53 3.54 0.87 -1.99 -0.42 113.55 119.82 2qaa h SER 79 Ca -0.37 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2qaa h SER 79 Cb 1.19 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2qaa h SER 79 CO 0.52 0.32 0.00 0.00 -0.53 0.00 0.00 176.83 177.14 2qaa n ALA 80 N -2.49 1.69 -3.53 6.23 0.00 -1.26 -4.90 120.51 116.25 2qaa n ALA 80 Ca -0.01 -0.05 -0.19 0.00 0.00 0.00 0.00 53.44 53.19 2qaa n ALA 80 Cb 0.27 -1.25 0.07 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.52 -5.73 -0.01 0.00 1.74 -0.17 -4.91 116.66 106.06 2qaa n ARG 81 Ca 0.04 0.76 0.01 0.00 -0.77 0.00 0.00 57.85 57.89 2qaa n ARG 81 Cb 0.18 -5.58 -0.03 0.00 -1.02 0.00 0.00 32.46 26.00 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 -4.15 0.06 -3.39 0.55 -2.24 -1.26 -4.90 114.28 98.95 2qaa n THR 82 Ca -0.28 -0.11 -0.44 0.00 -2.27 0.00 0.00 64.05 60.95 2qaa n THR 82 Cb 0.67 0.11 -0.07 0.00 -2.10 0.00 0.00 70.33 68.94 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 -2.23 5.11 0.23 4.28 2.01 -1.26 -5.06 115.64 118.72 2qaa s THR 83 Ca -0.02 -1.21 -0.30 0.00 0.31 0.00 0.00 61.69 60.48 2qaa s THR 83 Cb 0.02 -4.12 -0.09 0.00 0.01 0.00 0.00 72.50 68.33 2qaa s THR 83 CO 0.16 -0.64 1.15 -0.69 -0.69 0.00 0.00 174.62 173.91 2qaa s VAL 84 N 1.60 3.51 -0.22 3.82 1.01 -1.26 -0.71 120.40 128.15 2qaa s VAL 84 Ca 0.04 1.39 -0.17 0.00 0.00 0.00 0.00 61.98 63.24 2qaa s VAL 84 Cb -0.25 -3.88 -0.12 0.00 0.00 0.00 0.00 36.38 32.12 2qaa s VAL 84 CO 0.05 0.28 -0.14 0.18 0.00 0.00 0.00 175.10 175.47 2qaa n LEU 85 N 1.82 1.90 0.00 3.92 4.77 0.66 -4.52 117.00 125.54 2qaa n LEU 85 Ca 0.02 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2qaa n LEU 85 Cb 0.45 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 2qaa n LEU 85 CO 0.55 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 2qaa n GLY 86 N 1.40 -0.59 3.06 -0.72 0.00 -1.06 -0.72 105.19 106.55 2qaa n GLY 86 Ca -0.34 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 2qaa n GLY 86 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2qaa s THR 87 N -3.40 0.99 0.25 2.61 -1.32 -0.45 -1.01 115.64 113.30 2qaa s THR 87 Ca 0.00 -0.50 -0.31 0.00 -1.21 0.00 0.00 61.69 59.68 2qaa s THR 87 Cb 0.00 -0.85 -0.14 0.00 -1.51 0.00 0.00 72.50 70.00 2qaa s THR 87 CO 0.00 0.29 1.29 0.41 -2.21 0.00 0.00 174.62 174.40 2qaa n THR 88 N 3.07 1.22 -0.71 5.08 -1.04 0.45 -0.69 114.28 121.66 2qaa n THR 88 Ca -0.17 -0.31 0.00 0.00 -2.04 0.00 0.00 64.05 61.54 2qaa n THR 88 Cb 0.55 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 2qaa n THR 88 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2qaa n SER 89 N 1.81 0.36 -3.64 8.00 3.41 0.41 -4.81 113.62 119.17 2qaa n SER 89 Ca 0.11 -1.08 -0.02 0.00 -0.26 0.00 0.00 58.87 57.62 2qaa n SER 89 Cb 0.31 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.22 2qaa n SER 89 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2qaa s GLY 90 N -0.08 0.04 -0.21 5.00 0.00 -1.02 -4.90 107.32 106.15 2qaa s GLY 90 Ca 0.00 2.68 -0.12 0.00 0.00 0.00 0.00 44.72 47.28 2qaa s GLY 90 CO 0.00 1.04 0.51 -0.45 0.00 0.00 0.00 173.10 174.20 2qaa s SER 91 N -1.16 -0.66 -0.34 1.64 0.15 -1.26 -1.46 113.70 110.60 2qaa s SER 91 Ca 0.09 1.11 0.01 0.00 0.70 0.00 0.00 55.95 57.85 2qaa s SER 91 Cb -0.01 0.99 0.11 0.00 -1.71 0.00 0.00 66.02 65.40 2qaa s SER 91 CO -0.07 -0.21 0.11 -0.55 1.20 0.00 0.00 173.24 173.72 2qaa s SER 93 N 1.41 4.13 -0.28 5.45 0.15 0.68 -4.99 113.70 120.25 2qaa s SER 93 Ca -0.09 -1.93 -0.20 0.00 0.70 0.00 0.00 55.95 54.44 2qaa s SER 93 Cb -0.07 -1.06 0.10 0.00 -1.71 0.00 0.00 66.02 63.28 2qaa s SER 93 CO -0.14 -0.38 0.84 0.12 1.20 0.00 0.00 173.24 174.88 2qaa s PHE 94 N 1.24 -0.76 0.00 3.44 5.36 -1.25 -1.90 117.98 124.10 2qaa s PHE 94 Ca 0.11 1.62 0.00 0.00 -0.96 0.00 0.00 56.93 57.71 2qaa s PHE 94 Cb -0.19 0.43 0.00 0.00 -0.34 0.00 0.00 43.02 42.92 2qaa s PHE 94 CO -0.17 -0.37 0.00 -0.35 -1.46 0.00 0.00 175.22 172.87 2qaa n PRO 99 N 3.41 1.93 0.00 10.12 -0.04 -1.26 -4.93 135.00 144.22 2qaa n PRO 99 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2qaa n PRO 99 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 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 -4.51 3.54 3.02 0.12 -4.73 115.26 112.71 2qaa n ASN 100 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.36 2qaa n ASN 100 Cb 0.00 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.21 2qaa n ASN 100 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2qaa n ASN 101 N 2.96 2.10 -3.18 6.41 5.03 -1.26 -1.36 115.26 125.96 2qaa n ASN 101 Ca 0.00 -2.45 -0.21 0.00 0.87 0.00 0.00 54.58 52.79 2qaa n ASN 101 Cb 0.00 -0.24 -0.06 0.00 -1.02 0.00 0.00 39.78 38.46 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 -2.20 -0.79 -3.92 6.41 -0.08 -1.17 -3.96 116.55 110.85 2qaa n ASP 102 Ca 0.08 -2.66 -0.09 0.00 -1.51 0.00 0.00 54.79 50.61 2qaa n ASP 102 Cb 0.53 -0.10 -0.08 0.00 2.34 0.00 0.00 41.12 43.81 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 -0.29 0.22 0.32 -0.67 -0.85 -0.80 -3.57 117.35 111.71 2qaa s TYR 103 Ca 0.33 -0.60 -0.17 0.00 -0.52 0.00 0.00 57.07 56.12 2qaa s TYR 103 Cb 0.11 -0.14 0.03 0.00 0.38 0.00 0.00 41.96 42.34 2qaa s TYR 103 CO -0.15 -0.45 0.70 0.20 -1.52 0.00 0.00 175.55 174.33 2qaa s GLY 104 N -2.56 0.28 -0.01 5.49 0.00 -0.21 -0.23 107.32 110.08 2qaa s GLY 104 Ca 0.01 -0.64 -0.02 0.00 0.00 0.00 0.00 44.72 44.07 2qaa s GLY 104 CO -0.08 -0.31 0.05 -1.50 0.00 0.00 0.00 173.10 171.27 2qaa s ILE 105 N -3.26 0.03 -0.10 0.90 2.07 -0.54 -1.53 121.20 118.77 2qaa s ILE 105 Ca 0.15 -0.24 0.02 0.00 -1.41 0.00 0.00 60.65 59.18 2qaa s ILE 105 Cb -0.05 -0.16 0.01 0.00 0.13 0.00 0.00 42.46 42.39 2qaa s ILE 105 CO 0.10 -0.13 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.13 2qaa s VAL 106 N -0.39 1.63 -0.19 4.00 1.01 -0.06 -0.44 120.40 125.97 2qaa s VAL 106 Ca -0.04 -0.74 -0.24 0.00 0.00 0.00 0.00 61.98 60.96 2qaa s VAL 106 Cb -0.03 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 2qaa s VAL 106 CO 0.00 0.47 0.76 -0.60 0.00 0.00 0.00 175.10 175.73 2qaa s ARG 107 N 0.73 4.25 0.28 2.72 3.52 0.13 -0.87 118.95 129.72 2qaa s ARG 107 Ca -0.12 0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 56.06 2qaa s ARG 107 Cb -0.16 -3.58 -0.10 0.00 -1.56 0.00 0.00 34.95 29.54 2qaa s ARG 107 CO 0.02 -0.32 1.43 0.71 -0.81 0.00 0.00 175.30 176.33 2qaa s TYR 108 N 2.15 2.98 -0.27 5.12 2.02 -0.86 -1.34 117.35 127.15 2qaa s TYR 108 Ca 0.35 1.10 0.05 0.00 -0.37 0.00 0.00 57.07 58.19 2qaa s TYR 108 Cb -0.16 -3.82 -0.05 0.00 -0.40 0.00 0.00 41.96 37.53 2qaa s TYR 108 CO 0.11 -2.58 0.25 0.25 -1.57 0.00 0.00 175.55 172.01 2qaa n THR 109 N 1.91 0.00 -3.15 -0.71 -2.24 0.10 -4.91 114.28 105.28 2qaa n THR 109 Ca 0.05 -0.39 -0.43 0.00 -2.27 0.00 0.00 64.05 61.01 2qaa n THR 109 Cb 0.40 1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 69.57 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 -1.40 6.28 0.33 3.42 3.84 -1.10 -4.94 114.94 121.37 2qaa s ASN 110 Ca 0.02 -0.49 0.24 0.00 0.21 0.00 0.00 52.86 52.84 2qaa s ASN 110 Cb 0.04 -2.30 0.42 0.00 -0.55 0.00 0.00 41.25 38.86 2qaa s ASN 110 CO 0.20 -0.76 1.57 0.71 -2.79 0.00 0.00 177.10 176.02 2qaa h THR 111 N 5.85 0.00 0.00 -5.21 1.35 -1.92 -3.36 112.91 109.62 2qaa h THR 111 Ca -0.26 -0.83 -0.14 0.00 -0.55 0.00 0.00 66.41 64.63 2qaa h THR 111 Cb 1.10 1.75 -0.02 0.00 -1.73 0.00 0.00 68.15 69.24 2qaa h THR 111 CO 0.89 0.00 -1.74 0.35 -0.25 0.00 0.00 175.52 174.76 2qaa n THR 112 N -2.77 0.78 -2.03 6.82 -2.24 -1.26 -4.95 114.28 108.64 2qaa n THR 112 Ca 0.04 -0.65 -0.41 0.00 -2.27 0.00 0.00 64.05 60.76 2qaa n THR 112 Cb 0.50 -0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 68.32 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 -3.08 2.53 0.36 2.28 2.07 -1.26 -4.93 121.20 119.17 2qaa s ILE 113 Ca -0.06 0.53 -0.28 0.00 -1.41 0.00 0.00 60.65 59.44 2qaa s ILE 113 Cb 0.10 -3.34 -0.10 0.00 0.13 0.00 0.00 42.46 39.25 2qaa s ILE 113 CO 0.84 0.13 1.31 -2.84 -1.91 0.00 0.00 174.94 172.46 2qaa s PRO 114 N -1.83 4.21 -0.65 3.50 0.02 -1.26 -4.89 135.00 134.10 2qaa s PRO 114 Ca 0.50 2.19 0.05 0.00 0.02 0.00 0.00 61.00 63.77 2qaa s PRO 114 Cb -0.42 -2.95 0.18 0.00 0.02 0.00 0.00 34.50 31.34 2qaa s PRO 114 CO 0.55 -0.30 0.52 1.63 -0.33 0.00 0.00 177.00 179.07 2qaa n LYS 115 N 0.54 1.71 -2.45 5.54 5.02 -1.26 -0.32 118.16 126.93 2qaa n LYS 115 Ca 0.01 -4.32 -0.41 0.00 -2.02 0.00 0.00 58.31 51.58 2qaa n LYS 115 Cb 0.42 -2.17 -0.04 0.00 -0.02 0.00 0.00 35.03 33.22 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 -1.43 7.19 -1.47 4.39 1.01 -0.71 -4.91 116.67 120.74 2qaa s ASP 116 Ca 0.29 2.19 -0.09 0.00 0.71 0.00 0.00 52.55 55.65 2qaa s ASP 116 Cb 0.00 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.35 2qaa s ASP 116 CO -0.15 -0.27 2.59 0.61 0.21 0.00 0.00 175.17 178.16 2qaa n GLY 117 N 1.94 4.67 3.49 0.21 0.00 -1.26 -4.59 105.19 109.64 2qaa n GLY 117 Ca 0.03 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 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 0.90 0.00 -0.41 2.61 -4.23 -1.26 -2.31 115.64 110.95 2qaa s THR 118 Ca 0.59 -1.56 0.04 0.00 -1.18 0.00 0.00 61.69 59.58 2qaa s THR 118 Cb 0.17 -2.30 0.11 0.00 1.34 0.00 0.00 72.50 71.83 2qaa s THR 118 CO -0.07 0.00 0.13 -0.69 -0.54 0.00 0.00 174.62 173.45 2qaa s VAL 119 N -4.01 2.40 0.00 2.29 1.01 -0.12 -1.37 120.40 120.59 2qaa s VAL 119 Ca 0.27 -2.71 0.00 0.00 0.00 0.00 0.00 61.98 59.54 2qaa s VAL 119 Cb 0.01 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.66 2qaa s VAL 119 CO 0.10 -0.67 0.00 0.61 0.00 0.00 0.00 175.10 175.14 2qaa n GLY 120 N 3.83 3.40 0.00 4.51 0.00 -1.16 -1.15 105.19 114.63 2qaa n GLY 120 Ca 0.04 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.15 3.65 -0.02 0.00 -1.26 -4.78 105.19 101.63 2qaa n GLY 121 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.64 4.20 0.21 1.61 2.00 -0.30 -5.03 119.66 119.72 2qaa s GLN 122 Ca 0.22 1.01 -0.30 0.00 -2.00 0.00 0.00 55.36 54.28 2qaa s GLN 122 Cb 0.17 -3.64 -0.09 0.00 0.80 0.00 0.00 33.01 30.24 2qaa s GLN 122 CO 0.39 -0.53 1.38 0.34 -0.50 0.00 0.00 175.29 176.38 2qaa s ASP 123 N 1.31 6.77 -0.12 6.67 2.15 -1.26 -0.94 116.67 131.25 2qaa s ASP 123 Ca 0.36 2.52 -0.01 0.00 0.43 0.00 0.00 52.55 55.86 2qaa s ASP 123 Cb -0.15 -2.61 -0.02 0.00 -0.30 0.00 0.00 42.92 39.83 2qaa s ASP 123 CO 0.07 -0.62 -0.10 -0.63 -0.17 0.00 0.00 175.17 173.72 2qaa s ILE 124 N 0.16 3.34 0.00 4.11 -1.09 -0.98 -4.07 121.20 122.68 2qaa s ILE 124 Ca 0.59 -0.57 0.00 0.00 -2.23 0.00 0.00 60.65 58.44 2qaa s ILE 124 Cb -0.39 -2.41 0.00 0.00 -1.58 0.00 0.00 42.46 38.08 2qaa s ILE 124 CO 0.40 0.53 0.00 0.35 -1.23 0.00 0.00 174.94 174.99 2qaa n THR 125 N 3.26 0.00 -3.87 2.92 -2.24 -0.14 -4.62 114.28 109.60 2qaa n THR 125 Ca -0.18 -0.04 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 2qaa n THR 125 Cb 0.53 0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 69.13 2qaa n THR 125 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2qaa s SER 126 N -0.99 -0.04 0.19 3.42 0.15 -1.14 -4.79 113.70 110.49 2qaa s SER 126 Ca 0.00 -0.95 0.08 0.00 0.70 0.00 0.00 55.95 55.79 2qaa s SER 126 Cb 0.00 0.77 -0.04 0.00 -1.71 0.00 0.00 66.02 65.03 2qaa s SER 126 CO 0.00 -1.48 -0.06 0.00 1.20 0.00 0.00 173.24 172.90 2qaa s ALA 127 N -3.15 3.04 0.21 5.45 0.00 -1.26 -0.69 121.76 125.36 2qaa s ALA 127 Ca 0.16 -1.46 -0.13 0.00 0.00 0.00 0.00 51.96 50.53 2qaa s ALA 127 Cb -0.05 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.26 2qaa s ALA 127 CO 0.10 0.45 0.43 0.00 0.00 0.00 0.00 175.76 176.75 2qaa s ALA 128 N -1.77 -0.35 0.04 0.00 0.00 -0.33 -4.83 121.76 114.51 2qaa s ALA 128 Ca 0.26 -0.71 -0.06 0.00 0.00 0.00 0.00 51.96 51.46 2qaa s ALA 128 Cb -0.09 0.95 -0.05 0.00 0.00 0.00 0.00 23.12 23.93 2qaa s ALA 128 CO 0.17 -0.78 0.29 -0.80 0.00 0.00 0.00 175.76 174.63 2qaa s ASN 129 N -2.96 6.49 0.61 0.00 0.02 -1.26 -4.38 114.94 113.45 2qaa s ASN 129 Ca 0.17 0.54 -0.16 0.00 -1.02 0.00 0.00 52.86 52.39 2qaa s ASN 129 Cb 0.00 -2.08 -0.02 0.00 0.02 0.00 0.00 41.25 39.17 2qaa s ASN 129 CO 0.03 0.20 1.10 0.00 0.02 0.00 0.00 177.10 178.46 2qaa s ALA 130 N -1.39 2.59 0.10 0.60 0.00 -1.26 -5.08 121.76 117.32 2qaa s ALA 130 Ca 0.31 0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.89 2qaa s ALA 130 Cb -0.13 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 2qaa s ALA 130 CO 0.19 -1.03 -0.10 0.95 0.00 0.00 0.00 175.76 175.77 2qaa s THR 131 N -2.21 0.98 0.15 0.00 -4.23 -1.26 -5.07 115.64 104.00 2qaa s THR 131 Ca 0.68 -1.71 -0.31 0.00 -1.18 0.00 0.00 61.69 59.16 2qaa s THR 131 Cb -0.20 -1.45 -0.10 0.00 1.34 0.00 0.00 72.50 72.09 2qaa s THR 131 CO 0.36 -0.59 1.62 -0.69 -0.54 0.00 0.00 174.62 174.78 2qaa s VAL 132 N -2.59 2.64 0.00 2.29 1.01 -1.26 -1.96 120.40 120.52 2qaa s VAL 132 Ca 0.07 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.44 2qaa s VAL 132 Cb -0.02 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2qaa s VAL 132 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.73 2qaa n GLY 133 N 3.86 0.67 3.74 4.51 0.00 0.20 -5.00 105.19 113.17 2qaa n GLY 133 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.83 4.33 0.03 1.61 0.00 -0.83 -4.65 119.30 118.96 2qaa s MET 134 Ca 0.00 2.18 -0.30 0.00 0.00 0.00 0.00 55.69 57.57 2qaa s MET 134 Cb 0.00 -3.15 -0.05 0.00 0.00 0.00 0.00 34.83 31.63 2qaa s MET 134 CO 0.00 -0.33 1.20 0.00 0.00 0.00 0.00 175.02 175.89 2qaa s ALA 135 N 0.00 3.41 0.05 4.11 0.00 -1.26 -1.05 121.76 127.03 2qaa s ALA 135 Ca 0.58 0.79 -0.00 0.00 0.00 0.00 0.00 51.96 53.32 2qaa s ALA 135 Cb -0.39 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.23 2qaa s ALA 135 CO 0.41 -0.52 -0.04 0.14 0.00 0.00 0.00 175.76 175.75 2qaa s VAL 136 N 1.38 0.27 -0.02 0.00 -7.23 -0.47 -4.76 120.40 109.57 2qaa s VAL 136 Ca 0.58 -1.65 0.03 0.00 -1.81 0.00 0.00 61.98 59.13 2qaa s VAL 136 Cb -0.28 -1.29 0.00 0.00 0.56 0.00 0.00 36.38 35.37 2qaa s VAL 136 CO 0.27 -0.88 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.20 2qaa s THR 137 N -3.37 0.84 0.04 5.32 2.01 -0.12 -1.21 115.64 119.15 2qaa s THR 137 Ca 0.03 -0.41 0.05 0.00 0.31 0.00 0.00 61.69 61.67 2qaa s THR 137 Cb 0.04 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 2qaa s THR 137 CO -0.07 0.26 -0.09 -0.60 -0.69 0.00 0.00 174.62 173.42 2qaa s ARG 138 N 0.08 2.37 -0.04 4.92 3.52 0.40 -0.63 118.95 129.57 2qaa s ARG 138 Ca -0.01 -0.84 0.05 0.00 -0.13 0.00 0.00 55.73 54.79 2qaa s ARG 138 Cb -0.08 -2.40 -0.01 0.00 -1.56 0.00 0.00 34.95 30.91 2qaa s ARG 138 CO 0.00 0.57 -0.18 0.50 -0.81 0.00 0.00 175.30 175.38 2qaa s ARG 139 N -1.64 1.73 0.21 5.12 3.52 -0.80 -1.16 118.95 125.92 2qaa s ARG 139 Ca 0.18 -0.63 -0.10 0.00 -0.13 0.00 0.00 55.73 55.04 2qaa s ARG 139 Cb -0.11 -1.54 -0.01 0.00 -1.56 0.00 0.00 34.95 31.73 2qaa s ARG 139 CO 0.09 0.29 0.36 0.20 -0.81 0.00 0.00 175.30 175.44 2qaa s GLY 140 N -0.11 0.59 0.08 8.12 0.00 -0.39 -3.40 107.32 112.22 2qaa s GLY 140 Ca -0.01 -0.94 0.27 0.00 0.00 0.00 0.00 44.72 44.04 2qaa s GLY 140 CO 0.01 -0.78 1.71 -1.14 0.00 0.00 0.00 173.10 172.91 2qaa n SER 141 N -0.30 0.43 -0.09 1.64 3.41 -0.99 -0.95 113.62 116.77 2qaa n SER 141 Ca -0.04 0.35 -0.20 0.00 -0.26 0.00 0.00 58.87 58.72 2qaa n SER 141 Cb 0.63 -0.38 -0.12 0.00 -0.26 0.00 0.00 64.21 64.08 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 1.09 -0.01 6.66 2.02 -1.86 -3.44 112.91 117.38 2qaa h THR 142 Ca 0.00 -2.23 0.00 0.00 0.77 0.00 0.00 66.41 64.95 2qaa h THR 142 Cb 0.61 2.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 2qaa h THR 142 CO 0.00 0.41 -0.01 0.35 0.37 0.00 0.00 175.52 176.64 2qaa n THR 143 N -4.41 0.00 -4.22 3.16 -2.24 -1.24 -5.07 114.28 100.26 2qaa n THR 143 Ca -0.27 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2qaa n THR 143 Cb 0.67 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.99 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 0.32 0.52 3.61 3.38 0.00 -0.12 -4.81 105.19 108.08 2qaa n GLY 156 Ca 0.03 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 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 4.99 0.00 2.61 2.01 -1.26 -1.26 115.64 122.74 2qaa s THR 157 Ca 0.00 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.04 2qaa s THR 157 Cb 0.00 -3.31 -0.01 0.00 0.01 0.00 0.00 72.50 69.19 2qaa s THR 157 CO 0.00 0.37 0.01 -1.00 -0.69 0.00 0.00 174.62 173.31 2qaa s HIS 158 N 1.00 0.08 0.29 4.92 3.76 -0.31 -5.00 115.29 120.03 2qaa s HIS 158 Ca 0.06 -0.16 0.11 0.00 -0.15 0.00 0.00 55.06 54.92 2qaa s HIS 158 Cb -0.14 -0.06 -0.05 0.00 1.11 0.00 0.00 32.58 33.44 2qaa s HIS 158 CO 0.04 -0.08 -0.17 -1.12 -0.85 0.00 0.00 174.74 172.56 2qaa s SER 159 N -0.56 3.57 0.00 1.40 0.01 -1.26 -0.45 113.70 116.40 2qaa s SER 159 Ca -0.06 -1.08 0.00 0.00 1.31 0.00 0.00 55.95 56.12 2qaa s SER 159 Cb -0.04 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.89 2qaa s SER 159 CO -0.00 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.22 2qaa n GLY 160 N -0.66 1.20 3.11 3.44 0.00 -0.35 -4.73 105.19 107.21 2qaa n GLY 160 Ca -0.05 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 2qaa n GLY 160 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qaa s SER 161 N 2.00 1.10 -0.01 1.61 0.01 -1.26 -1.37 113.70 115.78 2qaa s SER 161 Ca 0.00 -0.65 -0.30 0.00 1.31 0.00 0.00 55.95 56.31 2qaa s SER 161 Cb 0.00 0.03 -0.05 0.00 0.21 0.00 0.00 66.02 66.21 2qaa s SER 161 CO 0.00 -0.22 1.30 -0.69 0.41 0.00 0.00 173.24 174.04 2qaa s VAL 162 N -1.77 3.95 -0.03 3.43 1.01 -0.22 -2.20 120.40 124.57 2qaa s VAL 162 Ca -0.04 1.32 0.14 0.00 0.00 0.00 0.00 61.98 63.40 2qaa s VAL 162 Cb -0.07 -3.85 -0.21 0.00 0.00 0.00 0.00 36.38 32.25 2qaa s VAL 162 CO 0.00 0.01 0.29 0.35 0.00 0.00 0.00 175.10 175.75 2qaa n THR 163 N 4.55 0.06 -3.48 3.92 -2.24 0.30 -0.63 114.28 116.76 2qaa n THR 163 Ca 0.12 -0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 2qaa n THR 163 Cb 0.45 0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 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 -2.93 -1.73 0.29 6.98 0.00 -1.12 -4.90 121.76 118.36 2qaa s ALA 164 Ca -0.05 0.97 0.10 0.00 0.00 0.00 0.00 51.96 52.98 2qaa s ALA 164 Cb 0.09 0.35 -0.05 0.00 0.00 0.00 0.00 23.12 23.50 2qaa s ALA 164 CO 0.58 -0.57 -0.03 -0.51 0.00 0.00 0.00 175.76 175.23 2qaa s LEU 165 N -1.99 3.02 -1.43 0.00 1.43 -1.26 -0.89 118.68 117.55 2qaa s LEU 165 Ca -0.03 -0.83 -0.10 0.00 -1.03 0.00 0.00 54.13 52.15 2qaa s LEU 165 Cb -0.01 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.75 2qaa s LEU 165 CO -0.03 -0.08 1.05 0.59 0.23 0.00 0.00 176.35 178.12 2qaa n ASN 166 N -0.87 -5.89 -4.80 2.29 5.03 -0.83 -4.91 115.26 105.29 2qaa n ASN 166 Ca -0.05 -0.57 -0.36 0.00 0.87 0.00 0.00 54.58 54.47 2qaa n ASN 166 Cb 0.60 -4.66 -0.07 0.00 -1.02 0.00 0.00 39.78 34.63 2qaa n ASN 166 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qaa s ALA 167 N -3.29 3.19 -0.14 5.41 0.00 0.15 -4.36 121.76 122.72 2qaa s ALA 167 Ca 0.57 0.45 -0.06 0.00 0.00 0.00 0.00 51.96 52.92 2qaa s ALA 167 Cb -0.26 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 2qaa s ALA 167 CO 0.71 0.18 0.06 0.99 0.00 0.00 0.00 175.76 177.70 2qaa s THR 168 N -1.76 4.78 -0.09 0.00 2.01 -1.26 -0.97 115.64 118.35 2qaa s THR 168 Ca 0.53 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.49 2qaa s THR 168 Cb -0.16 -3.10 0.01 0.00 0.01 0.00 0.00 72.50 69.26 2qaa s THR 168 CO 0.21 0.53 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.83 2qaa s VAL 169 N -0.22 1.35 -0.45 3.82 1.01 -0.14 -5.00 120.40 120.77 2qaa s VAL 169 Ca 0.08 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 2qaa s VAL 169 Cb -0.12 -1.23 0.09 0.00 0.00 0.00 0.00 36.38 35.13 2qaa s VAL 169 CO 0.01 0.41 0.32 0.21 0.00 0.00 0.00 175.10 176.05 2qaa s ASN 170 N 0.79 5.76 0.00 3.32 3.84 -1.26 -0.92 114.94 126.48 2qaa s ASN 170 Ca -0.11 -1.63 0.31 0.00 0.21 0.00 0.00 52.86 51.64 2qaa s ASN 170 Cb -0.16 -2.04 1.68 0.00 -0.55 0.00 0.00 41.25 40.19 2qaa s ASN 170 CO 0.02 -0.62 2.11 -1.22 -2.79 0.00 0.00 177.10 174.60 2qaa n TYR 171 N 4.97 0.00 0.00 0.43 4.01 -0.09 -4.99 117.16 121.50 2qaa n TYR 171 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 2qaa n TYR 171 Cb 0.42 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 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 1.10 -0.52 2.46 2.72 0.00 -1.26 -4.87 105.19 104.82 2qaa n GLY 172 Ca 0.21 -1.68 -0.17 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.41 1.23 1.70 -0.02 0.00 -1.26 -1.38 105.19 105.05 2qaa n GLY 173 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.90 0.95 3.24 -0.02 0.00 -1.26 -4.99 105.19 102.21 2qaa n GLY 174 Ca -0.18 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 5.26 -4.73 1.61 8.00 -0.48 -4.92 116.55 121.29 2qaa n ASP 175 Ca 0.00 -3.05 -0.35 0.00 0.71 0.00 0.00 54.79 52.10 2qaa n ASP 175 Cb 0.00 -1.51 -0.08 0.00 -0.02 0.00 0.00 41.12 39.51 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 0.75 5.31 0.10 2.53 1.01 -1.26 -0.91 120.40 127.92 2qaa s VAL 176 Ca 0.40 0.15 0.10 0.00 0.00 0.00 0.00 61.98 62.63 2qaa s VAL 176 Cb 0.01 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2qaa s VAL 176 CO 0.00 0.47 -0.26 0.68 0.00 0.00 0.00 175.10 175.99 2qaa s VAL 177 N 0.17 2.27 0.25 2.92 -7.23 -0.09 -0.70 120.40 117.99 2qaa s VAL 177 Ca 0.08 -1.59 0.08 0.00 -1.81 0.00 0.00 61.98 58.74 2qaa s VAL 177 Cb -0.11 -1.96 -0.05 0.00 0.56 0.00 0.00 36.38 34.81 2qaa s VAL 177 CO -0.01 0.20 -0.12 -0.31 -0.31 0.00 0.00 175.10 174.55 2qaa s TYR 178 N -0.97 1.92 -0.25 2.82 2.02 -0.47 -0.97 117.35 121.45 2qaa s TYR 178 Ca 0.13 -0.59 0.00 0.00 -0.37 0.00 0.00 57.07 56.25 2qaa s TYR 178 Cb -0.10 -0.97 0.00 0.00 -0.40 0.00 0.00 41.96 40.49 2qaa s TYR 178 CO 0.05 0.39 0.00 0.41 -1.57 0.00 0.00 175.55 174.83 2qaa n GLY 179 N -0.51 0.53 3.88 0.71 0.00 -1.00 -4.77 105.19 104.03 2qaa n GLY 179 Ca -0.06 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.42 3.78 -0.26 1.61 -1.94 -0.15 -4.41 119.30 115.51 2qaa s MET 180 Ca 0.00 0.28 -0.23 0.00 -1.71 0.00 0.00 55.69 54.03 2qaa s MET 180 Cb 0.00 -2.58 -0.01 0.00 2.01 0.00 0.00 34.83 34.25 2qaa s MET 180 CO 0.00 0.22 0.75 0.42 -0.01 0.00 0.00 175.02 176.40 2qaa s ILE 181 N -1.98 4.88 0.00 2.53 1.01 0.21 -0.67 121.20 127.17 2qaa s ILE 181 Ca 0.48 1.33 -0.17 0.00 0.00 0.00 0.00 60.65 62.29 2qaa s ILE 181 Cb -0.11 -4.06 -0.06 0.00 0.01 0.00 0.00 42.46 38.24 2qaa s ILE 181 CO 0.24 -0.08 0.47 -0.60 0.00 0.00 0.00 174.94 174.97 2qaa s ARG 182 N 2.75 4.08 0.15 2.79 3.52 -0.07 -0.87 118.95 131.29 2qaa s ARG 182 Ca 0.31 0.52 -0.03 0.00 -0.13 0.00 0.00 55.73 56.40 2qaa s ARG 182 Cb -0.15 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 2qaa s ARG 182 CO 0.09 0.58 0.12 0.95 -0.81 0.00 0.00 175.30 176.23 2qaa s THR 183 N -0.80 0.08 -0.38 4.11 -4.23 -0.52 -0.54 115.64 113.37 2qaa s THR 183 Ca 0.26 -1.79 0.10 0.00 -1.18 0.00 0.00 61.69 59.07 2qaa s THR 183 Cb -0.17 -2.05 0.65 0.00 1.34 0.00 0.00 72.50 72.27 2qaa s THR 183 CO 0.15 -0.37 1.57 -0.46 -0.54 0.00 0.00 174.62 174.96 2qaa n ASN 184 N -0.14 4.65 -4.77 3.99 0.23 -0.94 -2.30 115.26 115.98 2qaa n ASN 184 Ca -0.05 -2.88 -0.39 0.00 -0.53 0.00 0.00 54.58 50.74 2qaa n ASN 184 Cb 0.64 -0.68 -0.06 0.00 -2.08 0.00 0.00 39.78 37.60 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 -2.50 4.23 0.56 3.53 1.01 -1.26 -4.63 120.40 121.34 2qaa s VAL 190 Ca 0.45 1.85 -0.07 0.00 0.00 0.00 0.00 61.98 64.21 2qaa s VAL 190 Cb 0.35 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2qaa s VAL 190 CO 0.12 0.40 0.90 0.00 0.00 0.00 0.00 175.10 176.53 2qaa s ALA 192 N -2.96 -1.46 0.13 0.00 0.00 -1.26 -4.92 121.76 111.29 2qaa s ALA 192 Ca 0.52 0.25 -0.00 0.00 0.00 0.00 0.00 51.96 52.73 2qaa s ALA 192 Cb -0.11 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 2qaa s ALA 192 CO 0.48 -0.83 0.02 -1.21 0.00 0.00 0.00 175.76 174.21 2qaa s GLU 192 N -3.80 0.92 0.20 0.00 2.02 -1.26 -4.24 118.70 112.54 2qaa s GLU 192 Ca 0.04 -1.43 -0.32 0.00 0.02 0.00 0.00 54.97 53.28 2qaa s GLU 192 Cb -0.02 0.07 -0.14 0.00 0.10 0.00 0.00 34.13 34.13 2qaa s GLU 192 CO -0.08 -0.19 1.37 -2.30 0.02 0.00 0.00 175.26 174.09 2qaa n PRO 192 N -0.10 1.79 0.00 0.39 -0.02 -1.26 -1.04 135.00 134.76 2qaa n PRO 192 Ca -0.07 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2qaa n PRO 192 Cb 0.63 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 2.33 3.30 0.07 -1.23 0.00 -1.26 -4.75 105.19 103.65 2qaa n GLY 193 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 2qaa n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qaa n ASP 194 N 0.00 0.55 -4.66 1.61 8.00 -0.21 -3.06 116.55 118.78 2qaa n ASP 194 Ca 0.00 0.56 -0.43 0.00 0.71 0.00 0.00 54.79 55.63 2qaa n ASP 194 Cb 0.00 -0.71 -0.01 0.00 -0.02 0.00 0.00 41.12 40.39 2qaa n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2qaa n SER 195 N -2.03 2.23 0.00 -2.24 7.64 -1.26 -1.75 113.62 116.21 2qaa n SER 195 Ca 0.06 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.11 2qaa n SER 195 Cb 0.38 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 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 0.93 2.62 3.78 0.23 0.00 0.38 -1.02 105.19 112.12 2qaa n GLY 196 Ca 0.06 0.00 -0.30 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 -1.87 1.64 0.38 -0.02 0.00 -0.72 -2.39 107.32 104.34 2qaa s GLY 197 Ca 0.00 -0.05 -0.25 0.00 0.00 0.00 0.00 44.72 44.42 2qaa s GLY 197 CO 0.00 0.35 1.06 2.56 0.00 0.00 0.00 173.10 177.08 2qaa s PRO 198 N -5.05 4.22 -0.18 2.90 0.04 -1.22 -0.62 135.00 135.09 2qaa s PRO 198 Ca 0.61 1.58 -0.05 0.00 0.04 0.00 0.00 61.00 63.18 2qaa s PRO 198 Cb -0.15 -2.64 -0.03 0.00 0.04 0.00 0.00 34.50 31.72 2qaa s PRO 198 CO 0.55 -0.11 -0.00 -1.17 0.04 0.00 0.00 177.00 176.31 2qaa s LEU 199 N -2.46 3.35 0.16 -3.56 2.96 0.07 -1.91 118.68 117.28 2qaa s LEU 199 Ca 0.56 -0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 54.32 2qaa s LEU 199 Cb -0.24 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 2qaa s LEU 199 CO 0.30 0.12 0.11 -0.72 -1.32 0.00 0.00 176.35 174.84 2qaa s TYR 200 N 0.64 0.91 -0.15 5.38 1.13 0.20 -0.69 117.35 124.76 2qaa s TYR 200 Ca -0.01 -1.23 -0.04 0.00 -1.41 0.00 0.00 57.07 54.38 2qaa s TYR 200 Cb -0.14 -0.46 0.07 0.00 -1.10 0.00 0.00 41.96 40.34 2qaa s TYR 200 CO 0.02 -0.58 0.21 0.45 -2.51 0.00 0.00 175.55 173.13 2qaa s SER 201 N -3.08 1.05 1.14 -0.18 0.15 -0.43 -0.94 113.70 111.41 2qaa s SER 201 Ca 0.28 0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.00 2qaa s SER 201 Cb 0.07 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 2qaa s SER 201 CO 0.05 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2qaa n GLY 202 N 5.33 2.97 0.00 9.45 0.00 -1.26 -1.49 105.19 120.19 2qaa n GLY 202 Ca -0.05 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -3.52 2.61 -2.24 -1.26 -4.82 114.28 105.05 2qaa n THR 207 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 2qaa n THR 207 Cb 0.00 -0.47 -0.08 0.00 -2.10 0.00 0.00 70.33 67.67 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 -2.00 4.13 0.06 -0.78 1.81 -0.56 -0.96 118.95 120.65 2qaa s ARG 208 Ca 0.40 -0.02 -0.31 0.00 -1.72 0.00 0.00 55.73 54.08 2qaa s ARG 208 Cb 0.18 -3.54 -0.06 0.00 -0.45 0.00 0.00 34.95 31.09 2qaa s ARG 208 CO 0.31 0.01 1.20 0.00 -0.68 0.00 0.00 175.30 176.14 2qaa s ALA 209 N 1.17 3.39 0.00 2.13 0.00 0.13 -1.32 121.76 127.26 2qaa s ALA 209 Ca 0.14 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2qaa s ALA 209 Cb -0.14 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2qaa s ALA 209 CO 0.06 -0.44 0.00 -0.89 0.00 0.00 0.00 175.76 174.50 2qaa n ILE 210 N 3.94 0.00 -3.94 0.00 5.41 0.14 -1.19 119.36 123.72 2qaa n ILE 210 Ca 0.09 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.75 2qaa n ILE 210 Cb 0.46 -0.79 -0.03 0.00 -0.71 0.00 0.00 39.64 38.58 2qaa n ILE 210 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2qaa s GLY 211 N -4.29 0.50 -0.07 7.39 0.00 -0.43 -1.04 107.32 109.39 2qaa s GLY 211 Ca 0.00 -0.82 0.03 0.00 0.00 0.00 0.00 44.72 43.94 2qaa s GLY 211 CO 0.00 -0.49 -0.17 1.08 0.00 0.00 0.00 173.10 173.52 2qaa s LEU 212 N -3.04 1.85 0.01 0.66 1.43 -0.01 -0.75 118.68 118.83 2qaa s LEU 212 Ca 0.20 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.60 2qaa s LEU 212 Cb -0.03 -1.04 -0.07 0.00 0.03 0.00 0.00 46.19 45.09 2qaa s LEU 212 CO 0.11 0.11 1.65 -0.89 0.23 0.00 0.00 176.35 177.55 2qaa s THR 213 N 0.39 3.32 -0.22 5.49 2.01 0.21 -0.57 115.64 126.26 2qaa s THR 213 Ca -0.13 0.60 -0.13 0.00 0.31 0.00 0.00 61.69 62.35 2qaa s THR 213 Cb -0.15 -3.39 -0.09 0.00 0.01 0.00 0.00 72.50 68.88 2qaa s THR 213 CO 0.05 -0.03 -0.31 -0.24 -0.69 0.00 0.00 174.62 173.41 2qaa n SER 214 N 6.32 1.71 0.00 3.53 2.88 -0.28 -0.47 113.62 127.31 2qaa n SER 214 Ca 0.16 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 2qaa n SER 214 Cb 0.42 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 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 1.55 -1.60 0.00 0.46 0.00 -1.13 -4.89 105.19 99.58 2qaa n GLY 215 Ca -0.40 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.22 -0.32 3.28 -0.02 0.00 -1.26 -0.49 105.19 106.16 2qaa n GLY 216 Ca 0.00 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.80 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 1.77 0.10 1.61 1.04 -0.33 -5.00 113.70 108.90 2qaa s SER 217 Ca 0.00 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.33 2qaa s SER 217 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.12 2qaa s SER 217 CO 0.00 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.42 2qaa n GLY 218 N -0.28 -1.14 3.83 7.32 0.00 -1.26 -1.51 105.19 112.14 2qaa n GLY 218 Ca -0.08 -1.24 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.10 0.00 1.61 2.20 -0.69 -4.79 114.94 109.17 2qaa s ASN 219 Ca 0.00 -0.89 0.28 0.00 -0.94 0.00 0.00 52.86 51.31 2qaa s ASN 219 Cb 0.00 0.77 1.11 0.00 -2.00 0.00 0.00 41.25 41.13 2qaa s ASN 219 CO 0.00 -1.49 1.81 0.00 -2.94 0.00 0.00 177.10 174.48 2qaa h SER 221 N 0.18 0.00 0.47 0.00 0.02 -1.97 -3.40 113.55 108.85 2qaa h SER 221 Ca 0.00 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2qaa h SER 221 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2qaa h SER 221 CO 0.00 0.77 -1.02 -1.54 -1.14 0.00 0.00 176.83 173.90 2qaa n SER 222 N -4.67 0.61 0.00 3.07 3.41 -1.25 -5.08 113.62 109.71 2qaa n SER 222 Ca -0.07 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 2qaa n SER 222 Cb 0.23 0.77 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 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 1.36 2.83 2.08 5.00 0.00 -0.01 -4.95 105.19 111.50 2qaa n GLY 223 Ca 0.02 -1.93 -0.03 0.00 0.00 0.00 0.00 46.02 44.07 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 0.27 1.19 2.98 -0.02 0.00 -1.22 -1.70 105.19 106.68 2qaa n GLY 224 Ca 0.00 -1.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.40 1.11 0.00 2.61 2.01 -0.57 -4.16 115.64 114.24 2qaa s THR 225 Ca 0.11 -0.42 0.05 0.00 0.31 0.00 0.00 61.69 61.74 2qaa s THR 225 Cb -0.02 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 2qaa s THR 225 CO 0.05 0.36 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.29 2qaa s THR 226 N 1.04 1.24 -0.07 -0.82 2.01 -0.97 -1.18 115.64 116.90 2qaa s THR 226 Ca -0.07 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.14 2qaa s THR 226 Cb -0.15 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.27 2qaa s THR 226 CO -0.01 0.26 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.81 2qaa s PHE 227 N -0.50 3.11 -0.02 4.92 0.08 0.35 -1.44 117.98 124.47 2qaa s PHE 227 Ca 0.05 0.14 0.04 0.00 0.12 0.00 0.00 56.93 57.29 2qaa s PHE 227 Cb -0.07 -1.75 -0.01 0.00 -0.57 0.00 0.00 43.02 40.62 2qaa s PHE 227 CO 0.00 0.44 -0.15 -0.06 -0.10 0.00 0.00 175.22 175.35 2qaa s PHE 228 N -0.91 1.41 -0.04 0.36 0.40 -0.05 -1.13 117.98 118.03 2qaa s PHE 228 Ca 0.14 -0.30 -0.30 0.00 -0.60 0.00 0.00 56.93 55.87 2qaa s PHE 228 Cb -0.11 -0.92 -0.03 0.00 0.51 0.00 0.00 43.02 42.46 2qaa s PHE 228 CO 0.03 -0.06 1.15 -1.14 0.70 0.00 0.00 175.22 175.90 2qaa s GLN 229 N -0.24 4.40 0.13 0.44 2.00 0.26 -0.62 119.66 126.03 2qaa s GLN 229 Ca 0.03 1.62 -0.34 0.00 -2.00 0.00 0.00 55.36 54.68 2qaa s GLN 229 Cb -0.07 -3.51 -0.13 0.00 0.80 0.00 0.00 33.01 30.10 2qaa s GLN 229 CO 0.00 -0.35 1.64 -2.30 -0.50 0.00 0.00 175.29 173.78 2qaa n PRO 230 N 4.81 2.23 0.15 1.67 -0.02 -1.26 -0.83 135.00 141.75 2qaa n PRO 230 Ca 0.10 0.81 0.01 0.00 -2.02 0.00 0.00 63.50 62.40 2qaa n PRO 230 Cb 0.47 -2.60 0.21 0.00 -0.02 0.00 0.00 33.50 31.57 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 3.92 1.21 -0.39 -1.45 3.04 -1.39 -2.99 116.25 118.20 2qaa h VAL 231 Ca -0.45 -1.96 0.01 0.00 -1.01 0.00 0.00 66.70 63.29 2qaa h VAL 231 Cb 1.25 2.11 -0.02 0.00 -2.01 0.00 0.00 31.29 32.62 2qaa h VAL 231 CO 0.90 0.53 0.26 0.71 -1.01 0.00 0.00 177.57 178.96 2qaa h THR 232 N 0.00 1.07 -0.71 3.17 1.35 -1.85 -1.19 112.91 114.75 2qaa h THR 232 Ca -0.01 -0.16 -0.04 0.00 -0.55 0.00 0.00 66.41 65.65 2qaa h THR 232 Cb 1.07 0.55 -0.03 0.00 -1.73 0.00 0.00 68.15 68.00 2qaa h THR 232 CO 0.07 0.09 0.29 -0.33 -0.25 0.00 0.00 175.52 175.39 2qaa h GLU 233 N 0.48 1.06 -0.39 4.72 5.08 -1.92 -1.51 114.58 122.10 2qaa h GLU 233 Ca 0.15 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 2qaa h GLU 233 Cb 0.01 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2qaa h GLU 233 CO -0.03 0.87 -0.16 0.00 -1.00 0.00 0.00 179.01 178.69 2qaa h ALA 234 N 1.14 0.55 -0.69 3.43 0.00 -1.43 -0.75 119.26 121.50 2qaa h ALA 234 Ca 0.24 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2qaa h ALA 234 Cb 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2qaa h ALA 234 CO -0.02 0.47 0.42 -0.07 0.00 0.00 0.00 179.25 180.05 2qaa h LEU 235 N 0.61 0.82 -0.33 0.00 3.38 -1.12 -2.20 115.31 116.47 2qaa h LEU 235 Ca 0.09 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 2qaa h LEU 235 Cb 0.70 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2qaa h LEU 235 CO 0.05 0.63 -0.35 -1.28 0.09 0.00 0.00 178.44 177.58 2qaa h SER 235 N 0.94 0.88 -0.90 -0.43 0.87 -1.24 0.57 113.55 114.24 2qaa h SER 235 Ca 0.25 -0.48 0.02 0.00 -1.23 0.00 0.00 61.79 60.36 2qaa h SER 235 Cb -0.04 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 61.62 2qaa h SER 235 CO -0.05 1.18 0.59 0.00 -0.53 0.00 0.00 176.83 178.02 2qaa h ALA 236 N 0.73 1.17 0.00 6.23 0.00 -0.83 -2.97 119.26 123.58 2qaa h ALA 236 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qaa h ALA 236 Cb 0.94 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2qaa h ALA 236 CO 0.09 0.48 -0.85 0.66 0.00 0.00 0.00 179.25 179.63 2qaa n TYR 237 N -4.49 0.00 -3.01 0.00 4.01 -0.85 -4.99 117.16 107.83 2qaa n TYR 237 Ca 0.11 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.69 2qaa n TYR 237 Cb 0.06 -0.08 0.04 0.00 -0.31 0.00 0.00 39.34 39.05 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 1.50 -0.11 3.59 2.72 0.00 0.14 -5.03 105.19 108.00 2qaa n GLY 238 Ca 0.04 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.09 2.31 0.04 1.61 -7.23 -0.87 -4.79 120.40 108.38 2qaa s VAL 239 Ca 0.30 -2.08 0.03 0.00 -1.81 0.00 0.00 61.98 58.42 2qaa s VAL 239 Cb -0.13 -2.77 -0.02 0.00 0.56 0.00 0.00 36.38 34.02 2qaa s VAL 239 CO 0.37 -0.16 -0.10 -0.44 -0.31 0.00 0.00 175.10 174.47 2qaa s SER 240 N -3.67 1.16 0.80 4.85 0.01 -0.30 -4.63 113.70 111.92 2qaa s SER 240 Ca 0.34 -0.46 -0.10 0.00 1.31 0.00 0.00 55.95 57.04 2qaa s SER 240 Cb 0.03 -0.03 0.08 0.00 0.21 0.00 0.00 66.02 66.30 2qaa s SER 240 CO 0.18 -0.08 1.10 0.68 0.41 0.00 0.00 173.24 175.54 2qaa s VAL 241 N -1.01 3.05 0.00 3.43 -7.23 -1.26 -1.11 120.40 116.26 2qaa s VAL 241 Ca -0.04 0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.48 2qaa s VAL 241 Cb -0.08 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.13 2qaa s VAL 241 CO 0.01 -0.45 0.00 0.00 -0.31 0.00 0.00 175.10 174.35