#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddt h ALA 2 N 0.00 1.79 -0.42 4.61 0.00 -1.95 -2.00 119.26 121.29 1ddt h ALA 2 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ddt h ALA 2 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ddt h ALA 2 CO 0.00 -0.38 0.00 -0.25 0.00 0.00 0.00 179.25 178.62 1ddt n ASP 3 N -3.64 3.48 -0.01 0.00 8.00 -1.26 -1.89 116.55 121.23 1ddt n ASP 3 Ca 0.02 -2.36 0.11 0.00 0.71 0.00 0.00 54.79 53.27 1ddt n ASP 3 Cb 0.39 -0.50 -0.16 0.00 -0.02 0.00 0.00 41.12 40.83 1ddt n ASP 3 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1ddt n ASP 4 N 0.61 0.27 0.00 -2.24 9.92 -0.75 -4.48 116.55 119.88 1ddt n ASP 4 Ca 0.17 -0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 1ddt n ASP 4 Cb 0.68 1.82 0.00 0.00 -0.64 0.00 0.00 41.12 42.98 1ddt n ASP 4 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1ddt n VAL 5 N -2.12 0.00 -4.74 2.53 0.24 -1.21 -4.77 118.33 108.26 1ddt n VAL 5 Ca -0.03 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.95 1ddt n VAL 5 Cb 0.52 0.20 -0.12 0.00 -1.47 0.00 0.00 33.84 32.96 1ddt n VAL 5 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1ddt s VAL 6 N -1.73 3.07 -0.61 3.34 1.01 -0.79 -0.36 120.40 124.33 1ddt s VAL 6 Ca 0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 1ddt s VAL 6 Cb 0.00 -2.26 0.16 0.00 0.00 0.00 0.00 36.38 34.28 1ddt s VAL 6 CO 0.00 0.47 0.46 -0.62 0.00 0.00 0.00 175.10 175.41 1ddt s ASP 7 N -1.10 5.66 0.51 3.32 2.15 0.20 -4.58 116.67 122.82 1ddt s ASP 7 Ca 0.14 -2.51 0.25 0.00 0.43 0.00 0.00 52.55 50.86 1ddt s ASP 7 Cb -0.11 -1.96 1.36 0.00 -0.30 0.00 0.00 42.92 41.91 1ddt s ASP 7 CO 0.03 -0.51 2.04 0.77 -0.17 0.00 0.00 175.17 177.34 1ddt h SER 8 N 7.63 0.00 0.37 -0.34 4.64 -1.93 -2.59 113.55 121.33 1ddt h SER 8 Ca -0.05 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1ddt h SER 8 Cb 1.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1ddt h SER 8 CO 0.76 0.14 -0.11 0.77 -0.87 0.00 0.00 176.83 177.52 1ddt h SER 9 N 0.00 0.00 -0.22 4.97 4.64 -1.97 -2.62 113.55 118.34 1ddt h SER 9 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ddt h SER 9 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1ddt h SER 9 CO 0.02 0.11 0.00 0.29 -0.87 0.00 0.00 176.83 176.37 1ddt n LYS 10 N -3.61 2.67 -3.94 4.77 4.76 -0.99 -4.92 118.16 116.89 1ddt n LYS 10 Ca -0.02 -2.54 -0.35 0.00 -2.87 0.00 0.00 58.31 52.53 1ddt n LYS 10 Cb 0.23 -1.61 -0.06 0.00 -1.84 0.00 0.00 35.03 31.75 1ddt n LYS 10 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1ddt s SER 11 N -1.82 6.24 0.20 4.39 0.01 -0.99 -4.51 113.70 117.23 1ddt s SER 11 Ca 0.34 0.37 -0.13 0.00 1.31 0.00 0.00 55.95 57.84 1ddt s SER 11 Cb 0.26 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.53 1ddt s SER 11 CO 0.09 0.34 0.43 0.72 0.41 0.00 0.00 173.24 175.23 1ddt s PHE 12 N -1.15 0.21 -0.10 2.43 -0.71 -0.98 -4.97 117.98 112.71 1ddt s PHE 12 Ca 0.20 -0.57 -0.02 0.00 -1.04 0.00 0.00 56.93 55.51 1ddt s PHE 12 Cb -0.12 0.18 -0.03 0.00 -1.21 0.00 0.00 43.02 41.83 1ddt s PHE 12 CO 0.10 -0.88 -0.02 0.08 -1.34 0.00 0.00 175.22 173.16 1ddt s VAL 13 N -3.95 4.07 0.04 -2.49 1.01 -1.26 -0.88 120.40 116.94 1ddt s VAL 13 Ca 0.16 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1ddt s VAL 13 Cb 0.01 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1ddt s VAL 13 CO 0.02 0.57 -0.08 -0.32 0.00 0.00 0.00 175.10 175.29 1ddt s MET 14 N -0.51 0.54 -0.12 2.72 0.00 -0.05 -4.95 119.30 116.93 1ddt s MET 14 Ca 0.08 -0.77 -0.07 0.00 0.00 0.00 0.00 55.69 54.93 1ddt s MET 14 Cb -0.12 -0.29 -0.04 0.00 0.00 0.00 0.00 34.83 34.38 1ddt s MET 14 CO 0.02 0.05 0.14 -2.00 0.00 0.00 0.00 175.02 173.23 1ddt s GLU 15 N -1.63 3.46 -1.34 4.11 2.12 -1.26 -1.28 118.70 122.87 1ddt s GLU 15 Ca -0.09 -0.13 -0.05 0.00 0.36 0.00 0.00 54.97 55.05 1ddt s GLU 15 Cb -0.10 -3.19 0.02 0.00 0.26 0.00 0.00 34.13 31.12 1ddt s GLU 15 CO 0.00 0.77 0.97 0.09 -0.54 0.00 0.00 175.26 176.55 1ddt n ASN 16 N 2.01 -3.54 -4.69 -1.70 3.02 0.31 -4.90 115.26 105.78 1ddt n ASN 16 Ca -0.20 -0.69 -0.42 0.00 -0.03 0.00 0.00 54.58 53.24 1ddt n ASN 16 Cb 0.55 -4.55 -0.03 0.00 -0.61 0.00 0.00 39.78 35.14 1ddt n ASN 16 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1ddt n PHE 17 N -4.52 2.60 -4.36 3.10 7.35 -1.22 -4.75 117.46 115.65 1ddt n PHE 17 Ca -0.14 -0.18 -0.26 0.00 -0.76 0.00 0.00 57.45 56.11 1ddt n PHE 17 Cb 0.61 -2.74 -0.10 0.00 0.35 0.00 0.00 39.48 37.60 1ddt n PHE 17 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1ddt s SER 18 N 3.00 3.89 0.29 -2.13 0.15 -1.26 -1.18 113.70 116.45 1ddt s SER 18 Ca 0.83 -0.75 -0.19 0.00 0.70 0.00 0.00 55.95 56.54 1ddt s SER 18 Cb -0.48 -0.50 0.06 0.00 -1.71 0.00 0.00 66.02 63.38 1ddt s SER 18 CO 0.38 0.09 0.86 -0.94 1.20 0.00 0.00 173.24 174.84 1ddt s SER 19 N -2.91 -0.06 0.16 5.45 1.04 -0.68 -4.93 113.70 111.77 1ddt s SER 19 Ca 0.24 -0.86 0.11 0.00 0.48 0.00 0.00 55.95 55.93 1ddt s SER 19 Cb -0.08 0.70 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 1ddt s SER 19 CO 0.13 -1.37 -0.22 -0.31 0.98 0.00 0.00 173.24 172.45 1ddt s TYR 20 N -2.65 2.37 -0.06 5.02 2.02 0.25 -1.24 117.35 123.05 1ddt s TYR 20 Ca 0.16 -0.34 -0.01 0.00 -0.37 0.00 0.00 57.07 56.51 1ddt s TYR 20 Cb -0.04 -1.21 0.03 0.00 -0.40 0.00 0.00 41.96 40.33 1ddt s TYR 20 CO 0.08 0.44 0.00 -1.58 -1.57 0.00 0.00 175.55 172.93 1ddt s HIS 21 N -1.43 0.59 0.15 2.71 5.65 -0.85 -0.60 115.29 121.51 1ddt s HIS 21 Ca 0.19 -0.12 -0.30 0.00 0.25 0.00 0.00 55.06 55.08 1ddt s HIS 21 Cb -0.09 -0.73 -0.07 0.00 -1.18 0.00 0.00 32.58 30.51 1ddt s HIS 21 CO 0.09 -0.29 1.07 0.20 -0.65 0.00 0.00 174.74 175.17 1ddt s GLY 22 N 1.82 2.85 -0.05 1.59 0.00 -1.19 -2.08 107.32 110.26 1ddt s GLY 22 Ca 0.02 0.75 0.06 0.00 0.00 0.00 0.00 44.72 45.55 1ddt s GLY 22 CO -0.04 1.64 -0.23 -1.59 0.00 0.00 0.00 173.10 172.88 1ddt s THR 23 N -0.04 1.85 0.56 0.90 2.01 -0.15 -4.69 115.64 116.09 1ddt s THR 23 Ca 0.50 -0.96 -0.16 0.00 0.31 0.00 0.00 61.69 61.38 1ddt s THR 23 Cb -0.28 -1.57 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 1ddt s THR 23 CO 0.33 0.52 1.02 -0.54 -0.69 0.00 0.00 174.62 175.26 1ddt s LYS 24 N -0.19 3.61 0.08 4.92 1.02 -1.26 -1.18 119.74 126.75 1ddt s LYS 24 Ca -0.01 1.05 -0.34 0.00 0.02 0.00 0.00 55.97 56.69 1ddt s LYS 24 Cb -0.12 -2.08 -0.13 0.00 -0.52 0.00 0.00 37.83 34.97 1ddt s LYS 24 CO 0.02 -0.56 1.65 -2.30 -0.92 0.00 0.00 175.35 173.24 1ddt n PRO 25 N -1.91 2.09 0.00 -1.68 -0.02 -1.26 -1.07 135.00 131.16 1ddt n PRO 25 Ca 0.07 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1ddt n PRO 25 Cb 0.53 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1ddt n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ddt n GLY 26 N 3.64 2.59 0.00 -1.23 0.00 -1.26 -4.93 105.19 103.99 1ddt n GLY 26 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1ddt n GLY 26 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ddt n TYR 27 N -0.67 0.00 -0.01 1.61 4.02 -0.23 -4.68 117.16 117.21 1ddt n TYR 27 Ca 0.00 -0.07 0.03 0.00 -0.01 0.00 0.00 57.90 57.85 1ddt n TYR 27 Cb 0.00 -0.01 0.39 0.00 -0.02 0.00 0.00 39.34 39.70 1ddt n TYR 27 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1ddt h VAL 28 N 0.14 1.13 0.00 -0.72 2.07 -1.89 -1.03 116.25 115.95 1ddt h VAL 28 Ca 0.00 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 1ddt h VAL 28 Cb 0.13 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1ddt h VAL 28 CO 0.00 0.14 -0.48 0.44 0.02 0.00 0.00 177.57 177.69 1ddt h ASP 29 N 0.56 0.00 -0.32 0.57 3.32 -1.94 -3.34 116.42 115.26 1ddt h ASP 29 Ca 0.14 -0.51 -0.01 0.00 0.02 0.00 0.00 57.03 56.68 1ddt h ASP 29 Cb 0.02 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1ddt h ASP 29 CO -0.02 1.03 0.19 0.77 -1.72 0.00 0.00 179.24 179.49 1ddt h SER 30 N -1.00 0.41 0.56 6.45 4.64 -1.82 -1.14 113.55 121.65 1ddt h SER 30 Ca -0.11 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.15 1ddt h SER 30 Cb 0.85 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1ddt h SER 30 CO -0.07 0.34 -0.16 -0.29 -0.87 0.00 0.00 176.83 175.78 1ddt h ILE 31 N 0.48 0.57 0.00 0.95 2.10 -1.36 -2.05 117.51 118.20 1ddt h ILE 31 Ca 0.12 -0.76 0.00 0.00 1.08 0.00 0.00 64.86 65.30 1ddt h ILE 31 Cb 0.02 1.50 0.00 0.00 -1.09 0.00 0.00 36.82 37.25 1ddt h ILE 31 CO -0.02 0.16 0.00 0.00 -1.08 0.00 0.00 178.15 177.21 1ddt n GLN 32 N -3.55 0.17 0.06 2.19 6.02 -0.43 -0.93 117.38 120.90 1ddt n GLN 32 Ca -0.01 0.46 0.13 0.00 -0.01 0.00 0.00 57.00 57.58 1ddt n GLN 32 Cb 0.31 -1.86 0.49 0.00 1.02 0.00 0.00 30.24 30.20 1ddt n GLN 32 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1ddt n LYS 33 N -2.18 0.16 0.00 -1.09 5.02 -0.77 -4.58 118.16 114.71 1ddt n LYS 33 Ca 0.01 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1ddt n LYS 33 Cb 0.18 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 1ddt n LYS 33 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ddt n GLY 34 N 1.37 4.52 3.71 0.72 0.00 -0.11 -5.06 105.19 110.35 1ddt n GLY 34 Ca 0.06 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.38 1ddt n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ddt s ILE 35 N -2.01 5.05 -0.15 -0.61 -1.09 -1.26 -4.78 121.20 116.35 1ddt s ILE 35 Ca 0.00 1.40 -0.12 0.00 -2.23 0.00 0.00 60.65 59.70 1ddt s ILE 35 Cb 0.00 -4.02 0.04 0.00 -1.58 0.00 0.00 42.46 36.91 1ddt s ILE 35 CO 0.00 0.24 0.38 -1.58 -1.23 0.00 0.00 174.94 172.75 1ddt s GLN 36 N 0.91 0.42 -0.04 2.79 -0.44 -1.26 -3.99 119.66 118.05 1ddt s GLN 36 Ca 0.36 0.62 -0.32 0.00 -2.50 0.00 0.00 55.36 53.52 1ddt s GLN 36 Cb -0.17 0.12 -0.10 0.00 -1.64 0.00 0.00 33.01 31.22 1ddt s GLN 36 CO 0.17 -0.09 1.97 1.17 0.50 0.00 0.00 175.29 179.00 1ddt n LYS 37 N 3.41 2.52 -1.14 1.67 4.81 -1.26 -4.93 118.16 123.23 1ddt n LYS 37 Ca -0.17 0.91 -0.31 0.00 -0.87 0.00 0.00 58.31 57.86 1ddt n LYS 37 Cb 0.56 -2.88 0.11 0.00 0.02 0.00 0.00 35.03 32.84 1ddt n LYS 37 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1ddt s PRO 38 N 4.50 1.91 0.24 1.64 0.02 -1.26 -4.97 135.00 137.09 1ddt s PRO 38 Ca 0.92 1.35 0.20 0.00 0.02 0.00 0.00 61.00 63.48 1ddt s PRO 38 Cb -0.53 -1.84 0.06 0.00 0.02 0.00 0.00 34.50 32.20 1ddt s PRO 38 CO 0.45 -1.93 1.21 0.87 -0.33 0.00 0.00 177.00 177.27 1ddt h LYS 39 N -1.20 0.00 -6.33 5.54 1.79 -2.05 -3.46 116.57 110.86 1ddt h LYS 39 Ca -0.44 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.34 1ddt h LYS 39 Cb 1.25 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.66 1ddt h LYS 39 CO 0.48 0.17 -0.78 0.45 -1.08 0.00 0.00 179.45 178.70 1ddt s SER 40 N -5.89 3.95 0.00 0.86 0.15 -1.26 -5.07 113.70 106.44 1ddt s SER 40 Ca 0.02 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1ddt s SER 40 Cb 0.08 -0.82 0.00 0.00 -1.71 0.00 0.00 66.02 63.56 1ddt s SER 40 CO 0.76 0.34 0.00 0.61 1.20 0.00 0.00 173.24 176.15 1ddt n GLY 41 N 2.34 0.75 0.00 9.45 0.00 -1.26 -4.67 105.19 111.80 1ddt n GLY 41 Ca -0.17 -2.13 0.14 0.00 0.00 0.00 0.00 46.02 43.86 1ddt n GLY 41 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ddt n THR 42 N 0.22 0.03 -3.92 2.61 -2.24 -1.26 -4.93 114.28 104.79 1ddt n THR 42 Ca 0.00 0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.49 1ddt n THR 42 Cb 0.00 -0.57 0.02 0.00 -2.10 0.00 0.00 70.33 67.68 1ddt n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ddt n GLN 43 N -1.05 -5.43 0.00 -0.78 6.02 -1.26 -2.58 117.38 112.30 1ddt n GLN 43 Ca 0.19 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.77 1ddt n GLN 43 Cb 0.12 -5.46 0.00 0.00 1.02 0.00 0.00 30.24 25.92 1ddt n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ddt n GLY 44 N -1.68 2.13 3.52 1.08 0.00 -1.26 -1.55 105.19 107.43 1ddt n GLY 44 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 1ddt n GLY 44 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ddt s ASN 45 N 0.15 -0.64 0.24 1.61 3.84 -1.07 -4.71 114.94 114.36 1ddt s ASN 45 Ca 0.00 0.70 -0.03 0.00 0.21 0.00 0.00 52.86 53.74 1ddt s ASN 45 Cb 0.00 0.53 0.28 0.00 -0.55 0.00 0.00 41.25 41.51 1ddt s ASN 45 CO 0.00 -0.59 1.74 0.22 -2.79 0.00 0.00 177.10 175.68 1ddt h TYR 46 N 2.98 0.91 -3.34 0.43 3.20 -1.93 -3.43 116.97 115.78 1ddt h TYR 46 Ca -0.26 -0.13 -0.57 0.00 3.14 0.00 0.00 58.73 60.91 1ddt h TYR 46 Cb 1.14 -0.25 -0.07 0.00 1.54 0.00 0.00 36.73 39.10 1ddt h TYR 46 CO 0.37 0.83 -0.03 0.34 -1.64 0.00 0.00 178.16 178.03 1ddt s ASP 47 N -6.63 6.83 0.27 -2.11 -1.08 -1.26 -4.97 116.67 107.72 1ddt s ASP 47 Ca -0.10 0.99 -0.00 0.00 -0.52 0.00 0.00 52.55 52.92 1ddt s ASP 47 Cb 0.14 -2.34 0.53 0.00 -1.46 0.00 0.00 42.92 39.79 1ddt s ASP 47 CO 0.82 -0.05 1.79 0.44 0.52 0.00 0.00 175.17 178.69 1ddt h ASP 48 N 6.71 0.68 0.13 -0.34 3.32 -1.97 -1.01 116.42 123.95 1ddt h ASP 48 Ca -0.41 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 1ddt h ASP 48 Cb 1.19 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 1ddt h ASP 48 CO 0.75 0.32 -0.04 0.44 -1.72 0.00 0.00 179.24 179.00 1ddt h ASP 49 N 0.76 0.00 -0.46 6.45 3.32 -1.93 -2.93 116.42 121.64 1ddt h ASP 49 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 1ddt h ASP 49 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1ddt h ASP 49 CO -0.32 0.04 0.00 0.79 -1.72 0.00 0.00 179.24 178.03 1ddt n TRP 50 N -3.71 0.61 -2.21 4.55 7.02 -0.40 -1.24 117.44 122.06 1ddt n TRP 50 Ca -0.03 -0.50 -0.42 0.00 -1.02 0.00 0.00 57.50 55.54 1ddt n TRP 50 Cb 0.13 -0.02 -0.03 0.00 -2.42 0.00 0.00 31.31 28.98 1ddt n TRP 50 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1ddt s LYS 51 N -1.00 4.36 0.00 -0.99 1.02 -1.11 -4.24 119.74 117.79 1ddt s LYS 51 Ca 0.30 2.04 0.00 0.00 0.02 0.00 0.00 55.97 58.33 1ddt s LYS 51 Cb 0.16 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 1ddt s LYS 51 CO 0.21 -0.34 0.00 0.41 -0.92 0.00 0.00 175.35 174.71 1ddt n GLY 52 N 2.97 -0.96 3.75 -3.33 0.00 -0.60 -4.69 105.19 102.34 1ddt n GLY 52 Ca 0.09 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 1ddt n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ddt s PHE 53 N -2.00 3.66 -0.12 1.61 5.36 -0.59 -4.02 117.98 121.89 1ddt s PHE 53 Ca 0.00 1.21 -0.02 0.00 -0.96 0.00 0.00 56.93 57.16 1ddt s PHE 53 Cb 0.00 -2.65 -0.03 0.00 -0.34 0.00 0.00 43.02 40.01 1ddt s PHE 53 CO 0.00 0.30 -0.06 0.71 -1.46 0.00 0.00 175.22 174.71 1ddt s TYR 54 N -0.00 2.98 0.23 10.12 1.51 -1.26 -1.28 117.35 129.64 1ddt s TYR 54 Ca 0.32 -0.23 -0.00 0.00 -1.01 0.00 0.00 57.07 56.15 1ddt s TYR 54 Cb -0.18 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 1ddt s TYR 54 CO 0.17 0.07 0.19 -1.54 -1.11 0.00 0.00 175.55 173.33 1ddt s SER 55 N -0.04 0.44 0.03 2.29 1.04 -0.99 -4.75 113.70 111.72 1ddt s SER 55 Ca 0.00 -1.43 -0.06 0.00 0.48 0.00 0.00 55.95 54.94 1ddt s SER 55 Cb -0.13 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 1ddt s SER 55 CO 0.03 -0.91 0.12 0.28 0.98 0.00 0.00 173.24 173.73 1ddt s THR 56 N -3.99 0.12 -0.89 2.02 -1.32 0.23 -0.59 115.64 111.22 1ddt s THR 56 Ca 0.38 -0.96 0.21 0.00 -1.21 0.00 0.00 61.69 60.12 1ddt s THR 56 Cb 0.05 -0.76 0.19 0.00 -1.51 0.00 0.00 72.50 70.48 1ddt s THR 56 CO 0.15 -0.53 1.66 -0.90 -2.21 0.00 0.00 174.62 172.80 1ddt n ASP 57 N 0.96 0.19 -4.26 8.08 5.75 -1.16 -0.58 116.55 125.51 1ddt n ASP 57 Ca -0.20 0.53 -0.36 0.00 -0.01 0.00 0.00 54.79 54.76 1ddt n ASP 57 Cb 0.58 -0.58 -0.14 0.00 -1.03 0.00 0.00 41.12 39.95 1ddt n ASP 57 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1ddt s ASN 58 N -3.35 4.65 0.46 -1.12 3.84 -1.26 -4.83 114.94 113.34 1ddt s ASN 58 Ca 0.09 -0.78 0.20 0.00 0.21 0.00 0.00 52.86 52.58 1ddt s ASN 58 Cb 0.12 -1.76 1.14 0.00 -0.55 0.00 0.00 41.25 40.20 1ddt s ASN 58 CO 0.39 -0.15 1.99 0.07 -2.79 0.00 0.00 177.10 176.61 1ddt h LYS 59 N 8.11 0.00 -0.01 0.43 2.10 -1.95 0.23 116.57 125.48 1ddt h LYS 59 Ca -0.32 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.12 1ddt h LYS 59 Cb 1.12 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 1ddt h LYS 59 CO 0.59 0.20 -0.87 1.88 -2.00 0.00 0.00 179.45 179.24 1ddt h TYR 60 N 0.00 0.41 -0.14 0.07 0.05 -1.94 -1.71 116.97 113.71 1ddt h TYR 60 Ca -0.00 -0.22 -0.07 0.00 0.05 0.00 0.00 58.73 58.49 1ddt h TYR 60 Cb 0.41 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 38.10 1ddt h TYR 60 CO 0.00 1.02 -0.20 -0.44 -1.05 0.00 0.00 178.16 177.49 1ddt h ASP 61 N 0.16 0.42 -0.73 3.88 3.32 -1.73 -3.09 116.42 118.65 1ddt h ASP 61 Ca -0.05 -0.52 0.15 0.00 0.02 0.00 0.00 57.03 56.63 1ddt h ASP 61 Cb 1.50 -0.12 -0.10 0.00 0.22 0.00 0.00 39.33 40.82 1ddt h ASP 61 CO 0.14 0.86 0.22 0.00 -1.72 0.00 0.00 179.24 178.74 1ddt h ALA 62 N 0.57 0.98 -0.26 3.45 0.00 -0.60 -1.93 119.26 121.48 1ddt h ALA 62 Ca 0.01 0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1ddt h ALA 62 Cb 0.76 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1ddt h ALA 62 CO 0.05 -0.29 0.31 0.00 0.00 0.00 0.00 179.25 179.31 1ddt h ALA 63 N 1.58 1.88 0.00 0.00 0.00 -1.22 -1.73 119.26 119.77 1ddt h ALA 63 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1ddt h ALA 63 Cb 0.67 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ddt h ALA 63 CO -0.46 -0.44 0.00 0.41 0.00 0.00 0.00 179.25 178.75 1ddt n GLY 64 N -1.42 -0.85 1.24 0.00 0.00 -0.73 -2.60 105.19 100.83 1ddt n GLY 64 Ca 0.04 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.01 1ddt n GLY 64 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ddt n TYR 65 N -1.12 1.18 0.16 1.61 4.01 -0.66 -4.64 117.16 117.71 1ddt n TYR 65 Ca 0.14 -0.67 0.10 0.00 -0.16 0.00 0.00 57.90 57.32 1ddt n TYR 65 Cb 0.12 -0.24 0.20 0.00 -0.31 0.00 0.00 39.34 39.11 1ddt n TYR 65 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1ddt n SER 66 N 0.54 3.26 -4.76 7.72 3.41 -1.07 -4.33 113.62 118.39 1ddt n SER 66 Ca 0.22 -1.93 -0.39 0.00 -0.26 0.00 0.00 58.87 56.51 1ddt n SER 66 Cb 0.82 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 64.47 1ddt n SER 66 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ddt s VAL 67 N -1.28 4.93 -0.26 -3.33 1.01 -1.26 -0.71 120.40 119.49 1ddt s VAL 67 Ca 0.34 1.26 -0.39 0.00 0.00 0.00 0.00 61.98 63.20 1ddt s VAL 67 Cb 0.20 -3.94 -0.17 0.00 0.00 0.00 0.00 36.38 32.46 1ddt s VAL 67 CO 0.27 0.40 1.21 -0.67 0.00 0.00 0.00 175.10 176.31 1ddt n ASP 68 N 2.85 0.62 0.25 3.32 2.03 -0.19 -4.79 116.55 120.65 1ddt n ASP 68 Ca -0.06 1.03 0.16 0.00 0.52 0.00 0.00 54.79 56.44 1ddt n ASP 68 Cb 0.51 -0.78 0.60 0.00 -0.72 0.00 0.00 41.12 40.73 1ddt n ASP 68 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1ddt h ASN 69 N 3.66 0.00 1.17 1.67 -0.73 -1.92 -2.43 115.58 117.00 1ddt h ASN 69 Ca -0.41 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 57.66 1ddt h ASN 69 Cb 1.22 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.79 1ddt h ASN 69 CO 0.74 0.00 -0.46 -0.33 -0.37 0.00 0.00 177.43 177.01 1ddt h GLU 70 N 0.00 0.00 -2.25 6.67 4.39 -2.00 -3.36 114.58 118.03 1ddt h GLU 70 Ca 0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 1ddt h GLU 70 Cb 0.54 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 28.80 1ddt h GLU 70 CO 0.00 0.46 -0.97 0.09 -1.16 0.00 0.00 179.01 177.43 1ddt n ASN 71 N -3.36 0.38 0.25 1.42 3.02 -0.93 -4.98 115.26 111.06 1ddt n ASN 71 Ca 0.01 -2.65 0.14 0.00 -0.03 0.00 0.00 54.58 52.04 1ddt n ASN 71 Cb 0.64 -0.61 0.62 0.00 -0.61 0.00 0.00 39.78 39.81 1ddt n ASN 71 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1ddt h PRO 72 N 4.81 0.00 0.10 3.52 0.13 -1.67 -0.15 132.00 138.74 1ddt h PRO 72 Ca 0.17 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 65.04 1ddt h PRO 72 Cb 0.87 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.02 1ddt h PRO 72 CO 0.47 0.12 -1.09 -0.07 -0.23 0.00 0.00 178.00 177.20 1ddt h LEU 73 N 0.00 0.78 -1.46 1.56 3.38 -1.93 -3.41 115.31 114.23 1ddt h LEU 73 Ca -0.00 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.14 1ddt h LEU 73 Cb 0.56 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1ddt h LEU 73 CO 0.02 1.53 0.00 -1.54 0.09 0.00 0.00 178.44 178.53 1ddt n SER 74 N -3.90 0.67 -4.05 -0.43 3.41 -1.20 -5.07 113.62 103.05 1ddt n SER 74 Ca -0.13 -1.30 -0.30 0.00 -0.26 0.00 0.00 58.87 56.88 1ddt n SER 74 Cb 0.92 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 65.07 1ddt n SER 74 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ddt s GLY 75 N -0.30 1.72 0.56 5.00 0.00 -0.07 -4.80 107.32 109.43 1ddt s GLY 75 Ca 0.00 -1.11 -0.18 0.00 0.00 0.00 0.00 44.72 43.43 1ddt s GLY 75 CO 0.00 -0.31 1.07 0.54 0.00 0.00 0.00 173.10 174.40 1ddt s LYS 76 N -5.74 3.39 -0.02 2.90 -0.14 -1.26 -4.69 119.74 114.19 1ddt s LYS 76 Ca 0.73 1.35 0.00 0.00 -1.36 0.00 0.00 55.97 56.69 1ddt s LYS 76 Cb -0.06 -2.03 -0.04 0.00 -1.68 0.00 0.00 37.83 34.02 1ddt s LYS 76 CO 0.54 -0.77 0.03 0.00 -0.76 0.00 0.00 175.35 174.39 1ddt s ALA 77 N -2.17 3.40 0.00 5.17 0.00 -1.26 -1.02 121.76 125.87 1ddt s ALA 77 Ca 0.67 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1ddt s ALA 77 Cb -0.18 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.49 1ddt s ALA 77 CO 0.31 0.65 0.00 0.41 0.00 0.00 0.00 175.76 177.13 1ddt n GLY 78 N 1.44 0.11 0.00 0.00 0.00 0.11 -3.97 105.19 102.89 1ddt n GLY 78 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1ddt n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ddt n GLY 79 N 2.13 0.49 3.10 -0.02 0.00 -0.32 0.17 105.19 110.73 1ddt n GLY 79 Ca 0.00 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 1ddt n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ddt s VAL 80 N -2.04 1.06 0.13 1.61 1.01 0.18 -0.97 120.40 121.37 1ddt s VAL 80 Ca 0.00 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.47 1ddt s VAL 80 Cb 0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1ddt s VAL 80 CO 0.00 0.29 -0.18 0.68 0.00 0.00 0.00 175.10 175.89 1ddt s VAL 81 N -0.33 1.63 -0.18 2.92 -7.23 -0.88 0.01 120.40 116.34 1ddt s VAL 81 Ca 0.05 -1.71 -0.07 0.00 -1.81 0.00 0.00 61.98 58.44 1ddt s VAL 81 Cb -0.05 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 1ddt s VAL 81 CO -0.00 -0.25 0.06 -0.75 -0.31 0.00 0.00 175.10 173.85 1ddt s LYS 82 N -2.40 3.96 -0.09 4.82 2.20 0.12 -2.01 119.74 126.34 1ddt s LYS 82 Ca 0.10 -0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.37 1ddt s LYS 82 Cb -0.07 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 1ddt s LYS 82 CO 0.05 0.29 -0.09 0.14 -0.36 0.00 0.00 175.35 175.38 1ddt s VAL 83 N 0.31 3.52 -0.01 4.02 -7.23 -0.37 -1.28 120.40 119.36 1ddt s VAL 83 Ca 0.03 -0.53 0.04 0.00 -1.81 0.00 0.00 61.98 59.72 1ddt s VAL 83 Cb -0.12 -2.46 -0.01 0.00 0.56 0.00 0.00 36.38 34.35 1ddt s VAL 83 CO 0.00 0.56 -0.13 -0.89 -0.31 0.00 0.00 175.10 174.34 1ddt s THR 84 N -0.37 1.02 -0.19 5.32 2.01 0.65 -1.69 115.64 122.39 1ddt s THR 84 Ca 0.05 -0.57 -0.12 0.00 0.31 0.00 0.00 61.69 61.36 1ddt s THR 84 Cb -0.12 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.48 1ddt s THR 84 CO 0.02 0.27 0.21 -0.31 -0.69 0.00 0.00 174.62 174.13 1ddt s TYR 85 N -0.33 3.41 0.41 4.92 2.02 -0.33 -0.26 117.35 127.19 1ddt s TYR 85 Ca 0.05 0.42 -0.23 0.00 -0.37 0.00 0.00 57.07 56.94 1ddt s TYR 85 Cb -0.05 -2.27 -0.09 0.00 -0.40 0.00 0.00 41.96 39.15 1ddt s TYR 85 CO -0.00 0.21 1.05 -1.25 -1.57 0.00 0.00 175.55 173.98 1ddt s PRO 86 N 0.59 4.12 2.86 -1.71 0.04 -1.26 -3.46 135.00 136.18 1ddt s PRO 86 Ca 0.12 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1ddt s PRO 86 Cb -0.12 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.94 1ddt s PRO 86 CO 0.02 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.29 1ddt n GLY 87 N 0.24 -0.05 3.69 0.56 0.00 -1.26 -4.80 105.19 103.58 1ddt n GLY 87 Ca 0.06 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 1ddt n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ddt s LEU 88 N 0.00 3.92 -0.04 0.99 1.02 -1.26 -0.53 118.68 122.78 1ddt s LEU 88 Ca 0.00 0.16 0.04 0.00 0.02 0.00 0.00 54.13 54.35 1ddt s LEU 88 Cb 0.00 -1.98 -0.00 0.00 0.02 0.00 0.00 46.19 44.23 1ddt s LEU 88 CO 0.00 0.23 -0.14 -0.89 0.02 0.00 0.00 176.35 175.57 1ddt s THR 89 N 0.03 1.18 -0.35 5.49 2.01 -0.41 -0.39 115.64 123.20 1ddt s THR 89 Ca 0.06 -0.58 -0.22 0.00 0.31 0.00 0.00 61.69 61.26 1ddt s THR 89 Cb -0.12 -1.03 0.01 0.00 0.01 0.00 0.00 72.50 71.37 1ddt s THR 89 CO 0.01 0.35 0.74 -0.75 -0.69 0.00 0.00 174.62 174.27 1ddt s LYS 90 N 0.08 3.76 -0.34 4.92 2.47 0.27 -0.87 119.74 130.03 1ddt s LYS 90 Ca -0.03 0.27 -0.17 0.00 -1.56 0.00 0.00 55.97 54.48 1ddt s LYS 90 Cb -0.10 -3.80 -0.01 0.00 -1.46 0.00 0.00 37.83 32.46 1ddt s LYS 90 CO 0.01 -0.79 0.46 0.08 0.16 0.00 0.00 175.35 175.28 1ddt s VAL 91 N 2.95 5.07 -0.34 4.02 1.01 -0.06 -1.76 120.40 131.30 1ddt s VAL 91 Ca 0.29 0.31 -0.09 0.00 0.00 0.00 0.00 61.98 62.49 1ddt s VAL 91 Cb -0.14 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.37 1ddt s VAL 91 CO 0.16 -0.14 0.14 -0.22 0.00 0.00 0.00 175.10 175.04 1ddt s LEU 92 N 2.26 4.31 -0.12 3.92 2.96 -0.60 -2.33 118.68 129.09 1ddt s LEU 92 Ca 0.17 -0.89 -0.23 0.00 -0.22 0.00 0.00 54.13 52.96 1ddt s LEU 92 Cb -0.16 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 1ddt s LEU 92 CO 0.12 -0.29 0.71 0.00 -1.32 0.00 0.00 176.35 175.57 1ddt s ALA 93 N 1.51 3.42 0.01 5.97 0.00 -1.26 -0.70 121.76 130.70 1ddt s ALA 93 Ca 0.02 0.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.95 1ddt s ALA 93 Cb -0.18 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 1ddt s ALA 93 CO 0.05 -0.31 0.24 -0.51 0.00 0.00 0.00 175.76 175.23 1ddt s LEU 94 N 1.32 4.37 0.06 0.00 1.43 0.28 -0.63 118.68 125.52 1ddt s LEU 94 Ca 0.36 0.49 0.25 0.00 -1.03 0.00 0.00 54.13 54.21 1ddt s LEU 94 Cb -0.17 -2.67 0.58 0.00 0.03 0.00 0.00 46.19 43.96 1ddt s LEU 94 CO 0.15 0.25 1.49 0.29 0.23 0.00 0.00 176.35 178.76 1ddt n LYS 95 N 1.03 0.14 -3.88 1.70 5.02 0.51 -4.78 118.16 117.90 1ddt n LYS 95 Ca -0.11 0.05 -0.11 0.00 -2.02 0.00 0.00 58.31 56.12 1ddt n LYS 95 Cb 0.53 -1.60 -0.10 0.00 -0.02 0.00 0.00 35.03 33.84 1ddt n LYS 95 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ddt s VAL 96 N -3.07 0.08 -0.30 -0.18 1.01 -1.26 -5.03 120.40 111.64 1ddt s VAL 96 Ca 0.10 -0.63 0.16 0.00 0.00 0.00 0.00 61.98 61.61 1ddt s VAL 96 Cb 0.16 -0.38 0.48 0.00 0.00 0.00 0.00 36.38 36.63 1ddt s VAL 96 CO 0.67 -0.34 1.38 -0.90 0.00 0.00 0.00 175.10 175.91 1ddt n ASP 97 N 1.67 3.65 -4.51 3.32 5.75 -1.26 -4.97 116.55 120.21 1ddt n ASP 97 Ca -0.22 -2.84 -0.43 0.00 -0.01 0.00 0.00 54.79 51.30 1ddt n ASP 97 Cb 0.56 -0.48 -0.08 0.00 -1.03 0.00 0.00 41.12 40.09 1ddt n ASP 97 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1ddt s ASN 98 N -1.79 6.25 0.48 -1.12 3.84 -1.26 -4.97 114.94 116.37 1ddt s ASN 98 Ca 0.38 -0.44 0.24 0.00 0.21 0.00 0.00 52.86 53.24 1ddt s ASN 98 Cb 0.30 -2.26 1.22 0.00 -0.55 0.00 0.00 41.25 39.96 1ddt s ASN 98 CO 0.10 -0.61 1.99 0.00 -2.79 0.00 0.00 177.10 175.79 1ddt h ALA 99 N 8.71 1.29 -0.18 1.71 0.00 -1.98 -2.65 119.26 126.17 1ddt h ALA 99 Ca -0.27 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.29 1ddt h ALA 99 Cb 1.11 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.88 1ddt h ALA 99 CO 0.81 0.22 -0.62 0.93 0.00 0.00 0.00 179.25 180.60 1ddt h GLU 100 N 0.00 0.73 -0.22 0.00 4.39 -1.97 -2.24 114.58 115.27 1ddt h GLU 100 Ca -0.00 -0.55 0.01 0.00 0.34 0.00 0.00 59.36 59.16 1ddt h GLU 100 Cb 0.44 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 1ddt h GLU 100 CO 0.02 1.17 0.12 1.15 -1.16 0.00 0.00 179.01 180.31 1ddt h THR 101 N 0.45 1.02 -0.76 1.13 2.02 -1.92 -1.22 112.91 113.63 1ddt h THR 101 Ca -0.03 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 1ddt h THR 101 Cb 1.24 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 1ddt h THR 101 CO 0.13 0.05 0.31 0.40 0.37 0.00 0.00 175.52 176.77 1ddt h ILE 102 N 0.25 1.26 -0.21 3.11 2.04 -1.50 0.24 117.51 122.69 1ddt h ILE 102 Ca 0.09 -0.80 -0.12 0.00 1.00 0.00 0.00 64.86 65.03 1ddt h ILE 102 Cb 0.00 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1ddt h ILE 102 CO -0.05 0.33 -0.39 0.11 0.00 0.00 0.00 178.15 178.15 1ddt h LYS 103 N 1.10 0.47 0.25 2.37 1.57 -1.26 0.24 116.57 121.31 1ddt h LYS 103 Ca 0.25 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1ddt h LYS 103 Cb 0.21 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1ddt h LYS 103 CO -0.02 0.78 -0.12 -0.22 -0.57 0.00 0.00 179.45 179.30 1ddt h LYS 104 N 0.39 -0.33 -0.57 3.15 3.64 -0.98 0.53 116.57 122.41 1ddt h LYS 104 Ca 0.04 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1ddt h LYS 104 Cb 0.85 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.72 1ddt h LYS 104 CO 0.07 -0.06 0.32 0.93 -2.27 0.00 0.00 179.45 178.44 1ddt h GLU 105 N -1.01 0.79 0.00 1.90 4.39 -0.59 0.20 114.58 120.25 1ddt h GLU 105 Ca -0.03 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1ddt h GLU 105 Cb 0.42 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1ddt h GLU 105 CO 0.06 0.60 0.00 1.28 -1.16 0.00 0.00 179.01 179.78 1ddt n LEU 106 N -4.61 0.00 -3.80 1.33 4.77 0.83 -3.36 117.00 112.16 1ddt n LEU 106 Ca 0.03 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.76 1ddt n LEU 106 Cb 0.08 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1ddt n LEU 106 CO 0.37 0.00 -0.14 0.61 -1.33 0.00 0.00 177.39 176.89 1ddt n GLY 107 N 0.50 -0.42 3.62 -0.72 0.00 0.72 -4.99 105.19 103.90 1ddt n GLY 107 Ca 0.12 0.21 -0.22 0.00 0.00 0.00 0.00 46.02 46.13 1ddt n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ddt n LEU 108 N -4.29 0.00 -4.75 0.99 4.77 0.18 -5.02 117.00 108.88 1ddt n LEU 108 Ca -0.26 -2.58 -0.41 0.00 -0.03 0.00 0.00 56.01 52.73 1ddt n LEU 108 Cb 0.66 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1ddt n LEU 108 CO 0.71 -0.62 1.13 -0.55 -1.33 0.00 0.00 177.39 176.73 1ddt s SER 109 N -4.17 6.59 0.30 -1.43 0.15 -1.26 -4.73 113.70 109.15 1ddt s SER 109 Ca 0.40 2.74 0.24 0.00 0.70 0.00 0.00 55.95 60.03 1ddt s SER 109 Cb -0.03 -2.63 0.49 0.00 -1.71 0.00 0.00 66.02 62.14 1ddt s SER 109 CO 0.25 -0.75 1.60 -0.07 1.20 0.00 0.00 173.24 175.48 1ddt h LEU 110 N 4.84 0.00 0.02 3.45 3.38 -1.97 -3.36 115.31 121.67 1ddt h LEU 110 Ca -0.46 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 1ddt h LEU 110 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1ddt h LEU 110 CO 0.77 0.01 -0.01 0.71 0.09 0.00 0.00 178.44 180.01 1ddt h THR 111 N 0.00 0.78 -3.92 0.22 1.35 -2.01 -3.47 112.91 105.86 1ddt h THR 111 Ca 0.00 -1.53 -0.52 0.00 -0.55 0.00 0.00 66.41 63.81 1ddt h THR 111 Cb 0.88 1.45 0.06 0.00 -1.73 0.00 0.00 68.15 68.81 1ddt h THR 111 CO 0.00 0.26 0.56 -1.61 -0.25 0.00 0.00 175.52 174.48 1ddt s GLU 112 N -2.01 4.13 0.10 4.72 8.01 -1.26 -4.91 118.70 127.49 1ddt s GLU 112 Ca -0.09 2.00 -0.33 0.00 0.01 0.00 0.00 54.97 56.56 1ddt s GLU 112 Cb -0.01 -2.81 -0.13 0.00 -4.31 0.00 0.00 34.13 26.87 1ddt s GLU 112 CO 0.32 -0.31 1.72 -2.30 0.01 0.00 0.00 175.26 174.69 1ddt n PRO 113 N 0.31 2.37 -0.18 0.39 -0.02 -1.26 -4.89 135.00 131.72 1ddt n PRO 113 Ca 0.03 0.86 -0.01 0.00 -2.02 0.00 0.00 63.50 62.36 1ddt n PRO 113 Cb 0.45 -2.68 0.08 0.00 -0.02 0.00 0.00 33.50 31.33 1ddt n PRO 113 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1ddt h LEU 114 N 7.30 -0.13 -2.21 2.45 5.85 -1.82 -2.07 115.31 124.68 1ddt h LEU 114 Ca -0.46 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 1ddt h LEU 114 Cb 1.25 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.47 1ddt h LEU 114 CO 0.92 -0.04 -0.01 0.24 -0.34 0.00 0.00 178.44 179.20 1ddt h MET 115 N 0.17 0.00 -0.07 1.25 2.86 -1.44 -1.34 114.93 116.37 1ddt h MET 115 Ca 0.28 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.86 1ddt h MET 115 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1ddt h MET 115 CO -0.42 0.01 -0.20 0.93 1.06 0.00 0.00 176.91 178.29 1ddt h GLU 116 N 0.00 0.25 0.00 1.72 5.08 -1.66 -3.23 114.58 116.75 1ddt h GLU 116 Ca -0.00 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1ddt h GLU 116 Cb 0.26 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1ddt h GLU 116 CO 0.00 0.80 -0.13 1.96 -1.00 0.00 0.00 179.01 180.64 1ddt h GLN 117 N -0.25 0.00 -0.00 2.33 4.20 -1.11 -2.60 115.11 117.68 1ddt h GLN 117 Ca -0.01 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1ddt h GLN 117 Cb 0.82 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1ddt h GLN 117 CO 0.04 0.13 -0.26 0.28 -0.67 0.00 0.00 178.83 178.36 1ddt h VAL 118 N 0.00 1.19 -0.14 -0.54 2.07 -1.32 -2.77 116.25 114.74 1ddt h VAL 118 Ca -0.00 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1ddt h VAL 118 Cb 0.26 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1ddt h VAL 118 CO 0.02 0.26 0.00 0.61 0.02 0.00 0.00 177.57 178.47 1ddt n GLY 119 N -0.79 -0.11 3.86 2.17 0.00 -0.98 -4.40 105.19 104.94 1ddt n GLY 119 Ca -0.02 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 1ddt n GLY 119 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ddt s THR 120 N -1.81 4.65 0.13 2.61 -4.23 -1.04 -4.85 115.64 111.09 1ddt s THR 120 Ca 0.26 0.95 -0.19 0.00 -1.18 0.00 0.00 61.69 61.52 1ddt s THR 120 Cb 0.13 -3.70 -0.05 0.00 1.34 0.00 0.00 72.50 70.22 1ddt s THR 120 CO 0.20 -0.53 1.76 -0.33 -0.54 0.00 0.00 174.62 175.18 1ddt h GLU 121 N 1.29 0.22 -0.04 3.99 5.08 -1.91 0.15 114.58 123.36 1ddt h GLU 121 Ca -0.47 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 57.90 1ddt h GLU 121 Cb 1.18 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1ddt h GLU 121 CO 0.63 0.14 -0.11 1.49 -1.00 0.00 0.00 179.01 180.16 1ddt h GLU 122 N 0.22 -0.17 -0.71 2.33 4.81 -1.94 0.99 114.58 120.12 1ddt h GLU 122 Ca 0.09 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1ddt h GLU 122 Cb 0.04 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1ddt h GLU 122 CO -0.07 -0.11 0.41 0.35 -0.73 0.00 0.00 179.01 178.86 1ddt h PHE 123 N -0.18 0.94 0.00 0.92 3.04 -1.71 -1.34 116.94 118.61 1ddt h PHE 123 Ca 0.05 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.93 1ddt h PHE 123 Cb 0.25 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.44 1ddt h PHE 123 CO -0.19 0.64 -0.34 0.82 -2.02 0.00 0.00 178.31 177.22 1ddt h ILE 124 N 0.96 1.08 0.58 1.41 2.04 -0.33 -1.52 117.51 121.73 1ddt h ILE 124 Ca 0.25 -1.22 -0.03 0.00 1.00 0.00 0.00 64.86 64.87 1ddt h ILE 124 Cb -0.01 1.69 0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1ddt h ILE 124 CO -0.05 0.33 -0.28 0.50 0.00 0.00 0.00 178.15 178.65 1ddt h LYS 125 N 0.00 -0.76 -0.71 2.37 3.64 0.17 0.18 116.57 121.45 1ddt h LYS 125 Ca -0.00 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1ddt h LYS 125 Cb 0.66 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 1ddt h LYS 125 CO 0.04 -0.45 0.44 0.00 -2.27 0.00 0.00 179.45 177.21 1ddt h ARG 126 N -0.95 0.96 0.00 1.90 3.08 -1.22 -3.38 114.38 114.77 1ddt h ARG 126 Ca -0.08 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1ddt h ARG 126 Cb 0.65 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1ddt h ARG 126 CO 0.13 0.67 -0.49 1.19 -1.07 0.00 0.00 179.97 180.40 1ddt n PHE 127 N -4.54 0.00 0.32 3.04 3.72 -0.58 -4.63 117.46 114.78 1ddt n PHE 127 Ca 0.06 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.58 1ddt n PHE 127 Cb 0.05 -0.03 0.52 0.00 -0.94 0.00 0.00 39.48 39.08 1ddt n PHE 127 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ddt n GLY 128 N 1.32 -1.14 3.64 1.37 0.00 0.62 -4.90 105.19 106.10 1ddt n GLY 128 Ca 0.01 0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1ddt n GLY 128 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ddt n ASP 129 N -2.24 -2.86 0.00 1.61 8.00 -1.26 0.24 116.55 120.03 1ddt n ASP 129 Ca 0.01 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 54.96 1ddt n ASP 129 Cb 0.17 -2.41 0.00 0.00 -0.02 0.00 0.00 41.12 38.86 1ddt n ASP 129 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ddt n GLY 130 N -1.09 0.76 3.91 0.44 0.00 -1.26 -5.07 105.19 102.88 1ddt n GLY 130 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1ddt n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddt s ALA 131 N -2.29 3.42 -0.26 4.61 0.00 0.14 -4.95 121.76 122.42 1ddt s ALA 131 Ca 0.00 -0.52 0.28 0.00 0.00 0.00 0.00 51.96 51.72 1ddt s ALA 131 Cb 0.00 -2.56 0.87 0.00 0.00 0.00 0.00 23.12 21.43 1ddt s ALA 131 CO 0.00 -0.31 1.79 0.77 0.00 0.00 0.00 175.76 178.01 1ddt h SER 132 N 0.32 0.00 -4.67 0.00 0.02 -1.02 -3.46 113.55 104.75 1ddt h SER 132 Ca -0.47 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 60.59 1ddt h SER 132 Cb 1.20 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.59 1ddt h SER 132 CO 0.62 0.00 0.49 0.00 -1.14 0.00 0.00 176.83 176.80 1ddt s ARG 133 N -3.39 0.83 -0.09 3.45 3.03 -1.24 -5.05 118.95 116.49 1ddt s ARG 133 Ca 0.05 -0.31 0.00 0.00 2.03 0.00 0.00 55.73 57.50 1ddt s ARG 133 Cb 0.08 0.38 -0.03 0.00 -1.03 0.00 0.00 34.95 34.35 1ddt s ARG 133 CO 0.58 -0.37 -0.08 0.08 -1.13 0.00 0.00 175.30 174.38 1ddt s VAL 134 N -3.13 3.55 -0.04 4.99 1.01 -1.26 -0.56 120.40 124.96 1ddt s VAL 134 Ca 0.05 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.57 1ddt s VAL 134 Cb -0.01 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 1ddt s VAL 134 CO -0.09 0.57 -0.21 -0.69 0.00 0.00 0.00 175.10 174.68 1ddt s VAL 135 N -0.42 1.71 0.04 2.92 1.01 -0.72 -4.59 120.40 120.34 1ddt s VAL 135 Ca 0.06 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.98 1ddt s VAL 135 Cb -0.12 -1.45 -0.06 0.00 0.00 0.00 0.00 36.38 34.75 1ddt s VAL 135 CO 0.02 0.48 0.51 -0.76 0.00 0.00 0.00 175.10 175.35 1ddt s LEU 136 N -0.16 4.50 -0.11 3.92 1.43 -0.39 -1.55 118.68 126.31 1ddt s LEU 136 Ca -0.01 1.14 0.01 0.00 -1.03 0.00 0.00 54.13 54.24 1ddt s LEU 136 Cb -0.11 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.31 1ddt s LEU 136 CO 0.02 0.28 -0.16 -0.55 0.23 0.00 0.00 176.35 176.17 1ddt s SER 137 N -0.99 3.79 0.09 2.29 0.15 0.12 -1.47 113.70 117.69 1ddt s SER 137 Ca 0.27 -0.36 0.02 0.00 0.70 0.00 0.00 55.95 56.58 1ddt s SER 137 Cb -0.18 -1.44 -0.04 0.00 -1.71 0.00 0.00 66.02 62.65 1ddt s SER 137 CO 0.17 0.19 -0.08 -0.76 1.20 0.00 0.00 173.24 173.96 1ddt s LEU 138 N 0.19 2.45 0.29 3.45 1.43 -0.78 -0.55 118.68 125.16 1ddt s LEU 138 Ca -0.09 -0.89 -0.29 0.00 -1.03 0.00 0.00 54.13 51.82 1ddt s LEU 138 Cb -0.16 -0.15 -0.10 0.00 0.03 0.00 0.00 46.19 45.81 1ddt s LEU 138 CO 0.06 -0.37 1.39 -2.84 0.23 0.00 0.00 176.35 174.81 1ddt s PRO 139 N -3.26 4.29 0.14 1.29 0.02 -1.26 -0.54 135.00 135.68 1ddt s PRO 139 Ca 0.07 2.28 -0.16 0.00 0.02 0.00 0.00 61.00 63.22 1ddt s PRO 139 Cb 0.01 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.45 1ddt s PRO 139 CO -0.03 -0.33 1.70 0.35 -0.33 0.00 0.00 177.00 178.37 1ddt h PHE 140 N 4.20 0.61 -1.66 6.54 3.57 -1.43 -3.42 116.94 125.35 1ddt h PHE 140 Ca -0.48 -0.04 0.24 0.00 3.53 0.00 0.00 57.97 61.23 1ddt h PHE 140 Cb 1.22 -0.19 -0.16 0.00 2.79 0.00 0.00 35.95 39.62 1ddt h PHE 140 CO 0.58 0.52 0.74 0.00 -2.23 0.00 0.00 178.31 177.92 1ddt s ALA 141 N -5.64 -2.04 0.36 2.41 0.00 -1.26 -4.91 121.76 110.68 1ddt s ALA 141 Ca -0.13 1.15 -0.27 0.00 0.00 0.00 0.00 51.96 52.71 1ddt s ALA 141 Cb 0.10 0.15 -0.09 0.00 0.00 0.00 0.00 23.12 23.29 1ddt s ALA 141 CO 0.75 -0.77 1.20 -1.21 0.00 0.00 0.00 175.76 175.74 1ddt s GLU 142 N -2.60 4.21 0.00 0.00 0.41 -1.26 -2.50 118.70 116.96 1ddt s GLU 142 Ca 0.10 1.95 0.00 0.00 -0.41 0.00 0.00 54.97 56.61 1ddt s GLU 142 Cb 0.00 -2.86 0.00 0.00 -1.78 0.00 0.00 34.13 29.50 1ddt s GLU 142 CO -0.05 -0.22 0.00 0.41 -0.49 0.00 0.00 175.26 174.92 1ddt n GLY 143 N 0.77 0.82 3.40 -1.39 0.00 -1.26 -5.04 105.19 102.49 1ddt n GLY 143 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1ddt n GLY 143 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ddt s SER 144 N -2.65 3.36 0.00 1.61 0.15 -1.04 -4.94 113.70 110.20 1ddt s SER 144 Ca 0.00 -0.78 0.15 0.00 0.70 0.00 0.00 55.95 56.02 1ddt s SER 144 Cb 0.00 -0.24 0.30 0.00 -1.71 0.00 0.00 66.02 64.38 1ddt s SER 144 CO 0.00 0.16 1.21 -1.54 1.20 0.00 0.00 173.24 174.27 1ddt n SER 145 N 0.73 2.88 -4.71 5.45 3.41 -1.26 -4.67 113.62 115.45 1ddt n SER 145 Ca -0.16 -1.86 -0.29 0.00 -0.26 0.00 0.00 58.87 56.30 1ddt n SER 145 Cb 0.54 -0.19 0.13 0.00 -0.26 0.00 0.00 64.21 64.43 1ddt n SER 145 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ddt s SER 146 N -1.11 3.67 0.14 4.04 0.01 -1.26 -4.95 113.70 114.23 1ddt s SER 146 Ca 0.26 0.82 0.07 0.00 1.31 0.00 0.00 55.95 58.42 1ddt s SER 146 Cb 0.15 -1.30 -0.04 0.00 0.21 0.00 0.00 66.02 65.04 1ddt s SER 146 CO 0.21 -2.44 -0.16 0.68 0.41 0.00 0.00 173.24 171.94 1ddt s VAL 147 N -3.42 1.54 -0.11 3.43 -7.23 -1.26 -1.24 120.40 112.11 1ddt s VAL 147 Ca 0.65 -1.78 -0.01 0.00 -1.81 0.00 0.00 61.98 59.02 1ddt s VAL 147 Cb -0.12 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 1ddt s VAL 147 CO 0.52 -0.36 -0.07 -0.70 -0.31 0.00 0.00 175.10 174.18 1ddt s GLU 148 N -2.67 3.15 -0.18 4.82 2.12 0.30 -2.98 118.70 123.25 1ddt s GLU 148 Ca 0.11 -0.56 -0.05 0.00 0.36 0.00 0.00 54.97 54.83 1ddt s GLU 148 Cb -0.05 -2.70 -0.03 0.00 0.26 0.00 0.00 34.13 31.60 1ddt s GLU 148 CO 0.04 0.46 0.01 0.71 -0.54 0.00 0.00 175.26 175.94 1ddt s TYR 149 N -0.25 3.10 -0.28 5.30 2.02 0.24 -1.87 117.35 125.61 1ddt s TYR 149 Ca 0.03 -0.22 -0.02 0.00 -0.37 0.00 0.00 57.07 56.49 1ddt s TYR 149 Cb -0.13 -2.03 0.04 0.00 -0.40 0.00 0.00 41.96 39.44 1ddt s TYR 149 CO 0.03 -0.03 -0.01 0.42 -1.57 0.00 0.00 175.55 174.38 1ddt s ILE 150 N 0.54 3.05 -0.10 2.71 1.01 -0.54 -2.35 121.20 125.52 1ddt s ILE 150 Ca -0.00 -1.19 -0.05 0.00 0.00 0.00 0.00 60.65 59.41 1ddt s ILE 150 Cb -0.14 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1ddt s ILE 150 CO 0.02 0.02 0.11 0.20 0.00 0.00 0.00 174.94 175.29 1ddt s ASN 151 N 1.30 6.09 0.21 3.58 -0.87 -0.41 -1.26 114.94 123.58 1ddt s ASN 151 Ca -0.03 0.37 -0.30 0.00 -1.57 0.00 0.00 52.86 51.33 1ddt s ASN 151 Cb -0.18 -1.90 -0.08 0.00 -0.02 0.00 0.00 41.25 39.06 1ddt s ASN 151 CO -0.02 0.38 1.20 0.21 -2.57 0.00 0.00 177.10 176.30 1ddt s ASN 152 N -1.11 7.08 0.27 -1.22 3.84 -1.26 -1.53 114.94 121.00 1ddt s ASN 152 Ca 0.16 2.28 -0.00 0.00 0.21 0.00 0.00 52.86 55.50 1ddt s ASN 152 Cb -0.12 -2.61 0.58 0.00 -0.55 0.00 0.00 41.25 38.54 1ddt s ASN 152 CO 0.05 -0.36 1.73 -0.50 -2.79 0.00 0.00 177.10 175.24 1ddt h TRP 153 N 4.94 0.65 -0.08 0.43 4.06 -1.84 -0.60 115.95 123.51 1ddt h TRP 153 Ca -0.45 0.04 -0.10 0.00 2.06 0.00 0.00 58.89 60.44 1ddt h TRP 153 Cb 1.21 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 29.22 1ddt h TRP 153 CO 0.61 0.07 -0.32 1.49 -3.56 0.00 0.00 178.44 176.73 1ddt h GLU 154 N 0.49 0.35 0.00 0.49 4.57 -1.96 -3.20 114.58 115.33 1ddt h GLU 154 Ca 0.48 -0.28 -0.05 0.00 -1.18 0.00 0.00 59.36 58.33 1ddt h GLU 154 Cb 0.78 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 1ddt h GLU 154 CO -0.43 0.91 -0.25 1.96 -1.18 0.00 0.00 179.01 180.02 1ddt h GLN 155 N -0.13 0.00 0.00 1.92 1.08 -1.80 -2.60 115.11 113.58 1ddt h GLN 155 Ca -0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1ddt h GLN 155 Cb 0.97 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 1ddt h GLN 155 CO 0.07 0.25 0.00 0.00 -0.95 0.00 0.00 178.83 178.20 1ddt h ALA 156 N 1.75 1.00 -0.00 3.87 0.00 -1.11 -2.83 119.26 121.94 1ddt h ALA 156 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ddt h ALA 156 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ddt h ALA 156 CO 0.03 0.00 0.00 0.87 0.00 0.00 0.00 179.25 180.16 1ddt h LYS 157 N 0.00 0.00 0.00 0.00 1.57 -1.53 -1.81 116.57 114.81 1ddt h LYS 157 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ddt h LYS 157 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1ddt h LYS 157 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 1ddt h ALA 158 N 1.99 1.00 -2.95 3.86 0.00 -1.72 -3.43 119.26 118.00 1ddt h ALA 158 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1ddt h ALA 158 Cb 0.01 0.00 0.11 0.00 0.00 0.00 0.00 17.79 17.91 1ddt h ALA 158 CO -0.00 0.00 0.75 -0.51 0.00 0.00 0.00 179.25 179.49 1ddt s LEU 159 N -4.83 4.26 -0.10 0.00 1.43 -0.68 -4.52 118.68 114.24 1ddt s LEU 159 Ca 0.08 3.00 -0.05 0.00 -1.03 0.00 0.00 54.13 56.13 1ddt s LEU 159 Cb 0.10 -3.75 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 1ddt s LEU 159 CO 0.54 -0.96 0.10 -0.94 0.23 0.00 0.00 176.35 175.32 1ddt s SER 160 N -0.27 6.01 -0.09 2.29 1.04 0.63 -4.58 113.70 118.74 1ddt s SER 160 Ca 0.55 0.35 0.04 0.00 0.48 0.00 0.00 55.95 57.37 1ddt s SER 160 Cb -0.45 -1.86 -0.00 0.00 0.10 0.00 0.00 66.02 63.80 1ddt s SER 160 CO 0.61 0.39 -0.23 -0.69 0.98 0.00 0.00 173.24 174.29 1ddt s VAL 161 N -1.01 2.00 0.05 5.02 1.01 -1.26 -0.25 120.40 125.96 1ddt s VAL 161 Ca 0.15 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.16 1ddt s VAL 161 Cb -0.12 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1ddt s VAL 161 CO 0.05 0.55 -0.07 -1.83 0.00 0.00 0.00 175.10 173.79 1ddt s GLU 162 N 0.25 0.57 0.02 2.72 -1.05 -0.40 -4.86 118.70 115.95 1ddt s GLU 162 Ca -0.15 -0.85 -0.30 0.00 -0.15 0.00 0.00 54.97 53.51 1ddt s GLU 162 Cb -0.17 -0.26 -0.07 0.00 -0.44 0.00 0.00 34.13 33.19 1ddt s GLU 162 CO 0.08 0.03 1.63 -1.17 0.95 0.00 0.00 175.26 176.78 1ddt s LEU 163 N -1.83 4.35 -0.13 1.83 2.96 -1.26 0.16 118.68 124.76 1ddt s LEU 163 Ca -0.06 2.36 -0.08 0.00 -0.22 0.00 0.00 54.13 56.13 1ddt s LEU 163 Cb -0.07 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.04 1ddt s LEU 163 CO -0.01 -0.88 -0.15 -0.33 -1.32 0.00 0.00 176.35 173.66 1ddt h GLU 164 N 8.76 0.00 -2.71 1.98 4.39 -0.73 -3.45 114.58 122.82 1ddt h GLU 164 Ca -0.41 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.17 1ddt h GLU 164 Cb 1.19 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 29.60 1ddt h GLU 164 CO 0.93 0.00 -0.22 -1.50 -1.16 0.00 0.00 179.01 177.07 1ddt s ILE 165 N -2.10 0.00 -0.35 3.13 2.07 -0.98 -4.97 121.20 118.00 1ddt s ILE 165 Ca -0.13 -0.01 -0.03 0.00 -1.41 0.00 0.00 60.65 59.07 1ddt s ILE 165 Cb 0.02 -0.60 0.07 0.00 0.13 0.00 0.00 42.46 42.08 1ddt s ILE 165 CO 0.19 -0.01 0.10 0.21 -1.91 0.00 0.00 174.94 173.53 1ddt s ASN 166 N 0.18 5.12 0.39 4.50 3.84 -1.26 0.48 114.94 128.19 1ddt s ASN 166 Ca -0.00 -1.57 0.14 0.00 0.21 0.00 0.00 52.86 51.64 1ddt s ASN 166 Cb -0.03 -1.79 0.81 0.00 -0.55 0.00 0.00 41.25 39.69 1ddt s ASN 166 CO 0.01 -0.39 1.86 -0.26 -2.79 0.00 0.00 177.10 175.52 1ddt h PHE 167 N 8.06 0.00 0.00 0.43 0.04 -0.52 -2.79 116.94 122.15 1ddt h PHE 167 Ca -0.18 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.52 1ddt h PHE 167 Cb 1.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.20 1ddt h PHE 167 CO 0.59 0.33 -0.35 0.93 -0.60 0.00 0.00 178.31 179.20 1ddt h GLU 168 N 0.00 0.00 0.00 1.51 5.08 -1.68 -2.29 114.58 117.20 1ddt h GLU 168 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ddt h GLU 168 Cb 0.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1ddt h GLU 168 CO 0.04 0.35 -0.02 1.15 -1.00 0.00 0.00 179.01 179.53 1ddt h THR 169 N 0.00 0.07 0.00 1.13 2.02 -1.82 -2.81 112.91 111.50 1ddt h THR 169 Ca -0.00 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 1ddt h THR 169 Cb 0.78 1.41 -0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1ddt h THR 169 CO 0.05 0.02 -0.12 0.03 0.37 0.00 0.00 175.52 175.87 1ddt h ARG 170 N 0.00 0.00 -2.15 6.66 -0.00 -1.49 -3.47 114.38 113.92 1ddt h ARG 170 Ca -0.00 0.00 -0.32 0.00 -0.50 0.00 0.00 59.98 59.16 1ddt h ARG 170 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.36 1ddt h ARG 170 CO 0.00 0.12 -0.40 0.41 0.00 0.00 0.00 179.97 180.10 1ddt n GLY 171 N -0.66 -0.15 3.97 0.04 0.00 -1.06 -5.02 105.19 102.31 1ddt n GLY 171 Ca -0.02 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 1ddt n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ddt s LYS 172 N -4.69 3.24 0.70 1.61 -0.14 -1.26 -5.10 119.74 114.10 1ddt s LYS 172 Ca 0.00 -0.76 -0.11 0.00 -1.36 0.00 0.00 55.97 53.74 1ddt s LYS 172 Cb 0.00 -2.77 0.01 0.00 -1.68 0.00 0.00 37.83 33.39 1ddt s LYS 172 CO 0.00 0.11 1.06 1.03 -0.76 0.00 0.00 175.35 176.80 1ddt s ARG 173 N -4.21 2.88 1.54 1.68 3.00 -1.26 -4.87 118.95 117.71 1ddt s ARG 173 Ca 0.42 0.89 0.00 0.00 0.00 0.00 0.00 55.73 57.04 1ddt s ARG 173 Cb -0.09 -1.99 0.00 0.00 0.00 0.00 0.00 34.95 32.87 1ddt s ARG 173 CO 0.32 -1.12 0.00 0.41 0.00 0.00 0.00 175.30 174.91 1ddt n GLY 174 N -2.09 2.71 0.72 -3.53 0.00 -1.26 -2.20 105.19 99.54 1ddt n GLY 174 Ca 0.07 0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.20 1ddt n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ddt n GLN 175 N 14.00 1.77 -0.02 1.61 6.02 -1.26 -4.77 117.38 134.73 1ddt n GLN 175 Ca 0.00 -3.07 -0.09 0.00 -0.01 0.00 0.00 57.00 53.83 1ddt n GLN 175 Cb 0.00 -1.69 -0.02 0.00 1.02 0.00 0.00 30.24 29.55 1ddt n GLN 175 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1ddt h ASP 176 N 0.90 -0.64 -0.78 1.08 5.19 -1.78 -1.26 116.42 119.13 1ddt h ASP 176 Ca 0.07 0.11 0.04 0.00 -0.62 0.00 0.00 57.03 56.64 1ddt h ASP 176 Cb 1.27 0.30 -0.05 0.00 0.18 0.00 0.00 39.33 41.03 1ddt h ASP 176 CO 0.16 -0.25 0.49 0.00 -3.12 0.00 0.00 179.24 176.52 1ddt h ALA 177 N 0.81 1.04 0.50 3.45 0.00 -1.87 -0.20 119.26 122.99 1ddt h ALA 177 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1ddt h ALA 177 Cb 0.41 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ddt h ALA 177 CO -0.31 0.26 -0.24 1.98 0.00 0.00 0.00 179.25 180.94 1ddt h MET 178 N 0.93 -0.64 -0.05 0.00 1.85 -1.84 -1.79 114.93 113.39 1ddt h MET 178 Ca 0.32 0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.43 1ddt h MET 178 Cb 0.07 0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.24 1ddt h MET 178 CO -0.13 -0.36 -0.08 1.88 -0.40 0.00 0.00 176.91 177.82 1ddt h TYR 179 N -0.82 0.08 -0.08 1.39 0.05 -1.18 -1.60 116.97 114.80 1ddt h TYR 179 Ca -0.07 -0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.56 1ddt h TYR 179 Cb 0.58 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 1ddt h TYR 179 CO -0.01 0.16 -0.60 1.05 -1.05 0.00 0.00 178.16 177.71 1ddt h GLU 180 N 0.08 0.28 -0.23 4.88 4.11 -0.87 -1.82 114.58 121.00 1ddt h GLU 180 Ca 0.02 -0.19 -0.06 0.00 0.07 0.00 0.00 59.36 59.20 1ddt h GLU 180 Cb 0.19 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1ddt h GLU 180 CO 0.01 0.79 -0.08 -0.92 0.07 0.00 0.00 179.01 178.89 1ddt h TYR 181 N 0.21 0.52 -0.31 2.06 3.20 -0.91 -3.12 116.97 118.63 1ddt h TYR 181 Ca -0.01 -0.12 -0.04 0.00 3.14 0.00 0.00 58.73 61.70 1ddt h TYR 181 Cb 1.11 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 1ddt h TYR 181 CO 0.02 0.71 -0.00 0.52 -1.64 0.00 0.00 178.16 177.77 1ddt h MET 182 N 0.19 0.47 0.00 1.82 2.86 -1.21 -2.39 114.93 116.67 1ddt h MET 182 Ca 0.06 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1ddt h MET 182 Cb 0.55 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1ddt h MET 182 CO 0.03 0.50 0.00 0.00 1.06 0.00 0.00 176.91 178.50 1ddt h ALA 183 N 1.55 1.00 0.00 6.32 0.00 -1.27 -2.45 119.26 124.40 1ddt h ALA 183 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1ddt h ALA 183 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ddt h ALA 183 CO 0.01 0.00 -0.27 1.96 0.00 0.00 0.00 179.25 180.95 1ddt h GLN 184 N 0.00 0.00 -1.24 0.00 4.20 -1.38 -2.86 115.11 113.83 1ddt h GLN 184 Ca 0.00 0.00 0.36 0.00 0.06 0.00 0.00 58.65 59.07 1ddt h GLN 184 Cb 0.21 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.92 1ddt h GLN 184 CO 0.00 0.27 0.87 0.00 -0.67 0.00 0.00 178.83 179.29 1ddt h ALA 185 N 1.73 2.97 -0.19 3.87 0.00 -1.58 -2.74 119.26 123.32 1ddt h ALA 185 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ddt h ALA 185 Cb 0.48 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ddt h ALA 185 CO 0.03 -1.37 0.00 0.00 0.00 0.00 0.00 179.25 177.92 1ddt n ALA 187 N -0.39 0.00 0.00 0.00 0.00 -1.04 -4.66 120.51 114.42 1ddt n ALA 187 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1ddt n ALA 187 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1ddt n ALA 187 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ddt n SER 200 N 4.27 0.00 -0.05 0.00 2.88 -1.26 -4.37 113.62 115.10 1ddt n SER 200 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ddt n SER 200 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ddt n SER 200 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ddt s ILE 202 N -0.04 4.86 -0.54 0.00 1.01 -1.26 -4.96 121.20 120.27 1ddt s ILE 202 Ca 0.00 -0.44 0.07 0.00 0.00 0.00 0.00 60.65 60.28 1ddt s ILE 202 Cb 0.00 -4.30 0.31 0.00 0.01 0.00 0.00 42.46 38.48 1ddt s ILE 202 CO 0.00 -0.80 0.80 0.59 0.00 0.00 0.00 174.94 175.53 1ddt n ASN 203 N 6.21 3.12 -4.80 3.58 5.03 -1.26 -4.88 115.26 122.26 1ddt n ASN 203 Ca -0.06 -3.38 -0.34 0.00 0.87 0.00 0.00 54.58 51.66 1ddt n ASN 203 Cb 0.46 -0.61 -0.05 0.00 -1.02 0.00 0.00 39.78 38.56 1ddt n ASN 203 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ddt s LEU 204 N -2.74 3.96 -0.47 3.41 1.02 -1.26 -5.02 118.68 117.57 1ddt s LEU 204 Ca 0.43 1.89 -0.15 0.00 0.02 0.00 0.00 54.13 56.32 1ddt s LEU 204 Cb 0.24 -4.44 0.07 0.00 0.02 0.00 0.00 46.19 42.08 1ddt s LEU 204 CO -0.09 -0.58 0.39 -0.62 0.02 0.00 0.00 176.35 175.47 1ddt s ASP 205 N -1.91 6.15 0.46 2.29 -1.08 -1.26 -4.89 116.67 116.42 1ddt s ASP 205 Ca 0.63 -1.28 0.25 0.00 -0.52 0.00 0.00 52.55 51.63 1ddt s ASP 205 Cb -0.16 -2.18 0.99 0.00 -1.46 0.00 0.00 42.92 40.11 1ddt s ASP 205 CO 0.20 -0.63 1.85 -0.50 0.52 0.00 0.00 175.17 176.61 1ddt h TRP 206 N 8.75 0.00 -0.45 -5.34 4.06 -1.96 -1.43 115.95 119.57 1ddt h TRP 206 Ca -0.28 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.66 1ddt h TRP 206 Cb 1.11 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.25 1ddt h TRP 206 CO 0.63 0.20 0.25 -0.44 -3.56 0.00 0.00 178.44 175.51 1ddt h ASP 207 N 0.00 0.57 -0.20 -3.49 3.32 -1.98 0.58 116.42 115.21 1ddt h ASP 207 Ca -0.00 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 1ddt h ASP 207 Cb 0.70 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1ddt h ASP 207 CO 0.03 0.50 -0.06 0.58 -1.72 0.00 0.00 179.24 178.56 1ddt h VAL 208 N 0.60 1.29 -0.84 -1.35 2.07 -1.92 0.10 116.25 116.20 1ddt h VAL 208 Ca 0.16 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.64 1ddt h VAL 208 Cb 0.06 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 1ddt h VAL 208 CO -0.03 0.32 0.54 0.40 0.02 0.00 0.00 177.57 178.83 1ddt h ILE 209 N 0.11 1.13 -0.15 4.57 2.04 -0.96 -0.97 117.51 123.29 1ddt h ILE 209 Ca 0.05 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1ddt h ILE 209 Cb 0.52 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1ddt h ILE 209 CO 0.02 0.19 0.08 0.03 0.00 0.00 0.00 178.15 178.47 1ddt h ARG 210 N 1.05 0.21 0.09 2.37 3.08 0.73 -2.45 114.38 119.47 1ddt h ARG 210 Ca 0.34 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 1ddt h ARG 210 Cb 0.01 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1ddt h ARG 210 CO -0.11 0.23 -0.04 -0.44 -1.07 0.00 0.00 179.97 178.53 1ddt h ASP 211 N 0.13 -0.11 -0.74 7.04 3.32 -0.67 -3.12 116.42 122.27 1ddt h ASP 211 Ca 0.05 -0.16 0.08 0.00 0.02 0.00 0.00 57.03 57.02 1ddt h ASP 211 Cb 0.08 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 1ddt h ASP 211 CO -0.01 0.10 0.49 0.11 -1.72 0.00 0.00 179.24 178.21 1ddt h LYS 212 N -0.31 0.69 -0.51 3.56 1.57 -1.19 -2.38 116.57 118.00 1ddt h LYS 212 Ca -0.01 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1ddt h LYS 212 Cb 0.26 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1ddt h LYS 212 CO 0.02 0.46 0.30 1.15 -0.57 0.00 0.00 179.45 180.81 1ddt h THR 213 N 0.71 1.16 0.83 -0.16 2.02 -1.42 -1.88 112.91 114.17 1ddt h THR 213 Ca 0.33 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 1ddt h THR 213 Cb 0.38 0.48 0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1ddt h THR 213 CO -0.12 0.16 -0.40 0.50 0.37 0.00 0.00 175.52 176.04 1ddt h LYS 214 N 0.68 -1.07 -0.92 6.66 1.63 -1.41 0.22 116.57 122.36 1ddt h LYS 214 Ca 0.18 0.07 0.26 0.00 -0.85 0.00 0.00 60.65 60.32 1ddt h LYS 214 Cb -0.00 0.24 -0.15 0.00 -0.60 0.00 0.00 32.23 31.72 1ddt h LYS 214 CO -0.03 -0.71 0.23 1.15 -3.45 0.00 0.00 179.45 176.64 1ddt h THR 215 N -1.25 0.22 -0.11 1.00 2.02 -1.44 0.42 112.91 113.77 1ddt h THR 215 Ca -0.11 -0.05 -0.11 0.00 0.77 0.00 0.00 66.41 66.91 1ddt h THR 215 Cb 0.86 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1ddt h THR 215 CO 0.19 0.03 -0.34 0.11 0.37 0.00 0.00 175.52 175.87 1ddt h LYS 216 N 0.15 0.43 -0.35 6.66 1.57 -1.16 -1.54 116.57 122.33 1ddt h LYS 216 Ca 0.60 -0.31 0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1ddt h LYS 216 Cb 1.27 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 1ddt h LYS 216 CO -0.72 0.93 0.22 0.82 -0.57 0.00 0.00 179.45 180.13 1ddt h ILE 217 N 0.00 1.07 -0.06 1.86 2.04 0.69 -0.95 117.51 122.16 1ddt h ILE 217 Ca -0.01 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.72 1ddt h ILE 217 Cb 0.96 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1ddt h ILE 217 CO 0.07 0.08 -0.08 -0.33 0.00 0.00 0.00 178.15 177.90 1ddt h GLU 218 N 0.45 -0.10 -0.92 2.37 5.08 -0.93 -2.51 114.58 118.01 1ddt h GLU 218 Ca 0.13 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1ddt h GLU 218 Cb -0.03 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 1ddt h GLU 218 CO -0.04 -0.07 0.61 1.03 -1.00 0.00 0.00 179.01 179.54 1ddt h SER 219 N -0.11 1.05 0.13 1.42 0.87 -1.15 -2.37 113.55 113.40 1ddt h SER 219 Ca 0.05 -0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.50 1ddt h SER 219 Cb 0.18 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1ddt h SER 219 CO -0.13 0.76 -0.30 -0.07 -0.53 0.00 0.00 176.83 176.56 1ddt h LEU 220 N 1.24 0.27 -0.78 2.23 -0.00 -0.86 -2.32 115.31 115.09 1ddt h LEU 220 Ca 0.34 -0.09 -0.06 0.00 -0.00 0.00 0.00 57.88 58.06 1ddt h LEU 220 Cb -0.13 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 40.42 1ddt h LEU 220 CO -0.08 0.57 0.18 0.11 -0.00 0.00 0.00 178.44 179.23 1ddt h LYS 221 N 0.24 1.10 0.00 1.13 1.57 -1.01 -2.59 116.57 117.01 1ddt h LYS 221 Ca 0.03 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 1ddt h LYS 221 Cb 0.66 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1ddt h LYS 221 CO 0.05 0.96 -0.22 0.93 -0.57 0.00 0.00 179.45 180.60 1ddt h GLU 222 N 1.05 0.00 -6.37 3.15 4.39 -1.32 -3.39 114.58 112.09 1ddt h GLU 222 Ca 0.22 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.39 1ddt h GLU 222 Cb 0.35 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1ddt h GLU 222 CO -0.00 0.22 1.21 1.58 -1.16 0.00 0.00 179.01 180.86 1ddt n HIS 223 N -3.29 2.52 -0.10 4.33 -0.00 -0.90 -4.85 115.22 112.93 1ddt n HIS 223 Ca 0.01 -0.33 -0.06 0.00 0.46 0.00 0.00 57.72 57.80 1ddt n HIS 223 Cb 0.48 -2.79 0.01 0.00 -0.12 0.00 0.00 29.99 27.57 1ddt n HIS 223 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1ddt h GLY 224 N 10.28 0.25 2.00 1.57 0.00 -1.88 0.34 103.07 115.63 1ddt h GLY 224 Ca -0.49 0.13 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 1ddt h GLY 224 CO 0.94 -0.14 -0.17 -2.55 0.00 0.00 0.00 176.54 174.62 1ddt h PRO 225 N -0.01 0.00 0.26 4.80 0.11 -1.96 -0.58 132.00 134.62 1ddt h PRO 225 Ca 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1ddt h PRO 225 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1ddt h PRO 225 CO -0.38 0.17 -0.12 0.82 -0.21 0.00 0.00 178.00 178.28 1ddt h ILE 226 N 0.00 0.00 -0.76 4.15 2.04 -1.72 0.25 117.51 121.47 1ddt h ILE 226 Ca -0.00 -0.70 0.22 0.00 1.00 0.00 0.00 64.86 65.38 1ddt h ILE 226 Cb 0.43 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 1ddt h ILE 226 CO 0.02 0.00 0.85 0.11 0.00 0.00 0.00 178.15 179.13 1ddt h LYS 227 N -1.05 0.00 0.00 2.37 1.57 -0.14 0.39 116.57 119.71 1ddt h LYS 227 Ca -0.04 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 1ddt h LYS 227 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1ddt h LYS 227 CO 0.06 0.00 -0.77 -0.91 -0.57 0.00 0.00 179.45 177.26 1ddt h ASN 228 N 0.00 0.00 -0.88 0.86 -0.26 -1.11 -3.27 115.58 110.91 1ddt h ASN 228 Ca 0.36 -0.66 0.20 0.00 -0.56 0.00 0.00 56.30 55.64 1ddt h ASN 228 Cb 2.05 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 39.25 1ddt h ASN 228 CO -0.00 1.28 0.59 0.50 -1.06 0.00 0.00 177.43 178.73 1ddt h LYS 229 N -1.00 0.36 -0.03 0.81 1.63 0.33 1.00 116.57 119.66 1ddt h LYS 229 Ca -0.21 -0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.49 1ddt h LYS 229 Cb 1.15 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 1ddt h LYS 229 CO -0.13 0.24 -0.37 0.52 -3.45 0.00 0.00 179.45 176.27 1ddt h MET 230 N 0.37 0.06 0.00 1.90 2.86 -1.03 -2.11 114.93 116.98 1ddt h MET 230 Ca 0.45 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 58.02 1ddt h MET 230 Cb 1.18 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 1ddt h MET 230 CO -0.16 0.42 -0.25 0.77 1.06 0.00 0.00 176.91 178.76 1ddt h SER 231 N 0.05 0.00 1.67 1.22 0.02 0.96 -2.28 113.55 115.19 1ddt h SER 231 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1ddt h SER 231 Cb 0.67 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1ddt h SER 231 CO 0.05 0.25 -0.21 -0.33 -1.14 0.00 0.00 176.83 175.44 1ddt h GLU 232 N 0.00 0.00 -6.54 3.45 3.07 -0.77 -3.47 114.58 110.33 1ddt h GLU 232 Ca -0.00 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.29 1ddt h GLU 232 Cb 0.70 0.00 0.06 0.00 -0.84 0.00 0.00 28.75 28.66 1ddt h GLU 232 CO 0.03 0.21 0.89 0.45 -1.40 0.00 0.00 179.01 179.19 1ddt n SER 233 N -3.17 3.41 0.29 1.42 2.88 -0.86 -4.90 113.62 112.69 1ddt n SER 233 Ca 0.03 1.07 0.18 0.00 -1.33 0.00 0.00 58.87 58.81 1ddt n SER 233 Cb 0.59 -1.47 0.91 0.00 -0.75 0.00 0.00 64.21 63.49 1ddt n SER 233 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1ddt h PRO 234 N 6.43 0.00 -5.20 -1.46 0.11 -1.90 -3.45 132.00 126.52 1ddt h PRO 234 Ca -0.45 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.38 1ddt h PRO 234 Cb 1.24 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.27 1ddt h PRO 234 CO 0.91 0.00 -0.41 -1.71 -0.21 0.00 0.00 178.00 176.59 1ddt n ASN 235 N -3.19 -2.84 -3.55 -2.05 4.05 -1.26 -4.86 115.26 101.56 1ddt n ASN 235 Ca -0.01 -0.14 -0.07 0.00 0.45 0.00 0.00 54.58 54.81 1ddt n ASN 235 Cb 0.32 -2.42 -0.02 0.00 1.23 0.00 0.00 39.78 38.88 1ddt n ASN 235 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1ddt s LYS 236 N -5.69 0.58 -0.13 1.20 2.36 -1.25 -4.93 119.74 111.88 1ddt s LYS 236 Ca 0.27 -0.19 -0.40 0.00 -2.55 0.00 0.00 55.97 53.09 1ddt s LYS 236 Cb -0.15 0.27 -0.18 0.00 -1.05 0.00 0.00 37.83 36.73 1ddt s LYS 236 CO 0.33 -0.25 1.42 2.41 1.55 0.00 0.00 175.35 180.81 1ddt n THR 237 N -0.11 0.08 -3.90 3.43 -1.04 -1.00 -4.27 114.28 107.47 1ddt n THR 237 Ca -0.05 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.05 61.84 1ddt n THR 237 Cb 0.60 -0.67 -0.10 0.00 -1.82 0.00 0.00 70.33 68.34 1ddt n THR 237 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ddt s VAL 238 N 1.59 0.10 0.61 12.58 0.11 -0.53 -5.02 120.40 129.84 1ddt s VAL 238 Ca 0.93 -0.86 -0.19 0.00 -2.93 0.00 0.00 61.98 58.93 1ddt s VAL 238 Cb -1.16 -0.62 -0.03 0.00 -1.53 0.00 0.00 36.38 33.05 1ddt s VAL 238 CO 0.60 -0.48 1.26 -0.94 -3.33 0.00 0.00 175.10 172.22 1ddt s SER 239 N -1.70 4.96 0.50 3.54 1.04 -1.26 -4.53 113.70 116.25 1ddt s SER 239 Ca -0.11 2.53 0.25 0.00 0.48 0.00 0.00 55.95 59.11 1ddt s SER 239 Cb -0.05 -2.61 1.33 0.00 0.10 0.00 0.00 66.02 64.79 1ddt s SER 239 CO -0.01 -1.76 1.91 -0.08 0.98 0.00 0.00 173.24 174.28 1ddt h GLU 240 N 0.82 0.13 -0.16 4.02 4.57 -1.95 0.74 114.58 122.75 1ddt h GLU 240 Ca -0.51 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 57.70 1ddt h GLU 240 Cb 1.31 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.84 1ddt h GLU 240 CO 0.55 0.09 -0.05 1.49 -1.18 0.00 0.00 179.01 179.90 1ddt h GLU 241 N 0.13 -0.02 0.00 1.92 4.22 -1.98 2.98 114.58 121.83 1ddt h GLU 241 Ca 0.39 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.73 1ddt h GLU 241 Cb 1.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 1ddt h GLU 241 CO -0.06 -0.01 -0.52 -0.22 -2.18 0.00 0.00 179.01 176.02 1ddt h LYS 242 N -0.02 0.00 -0.12 1.92 1.63 -0.41 -2.18 116.57 117.39 1ddt h LYS 242 Ca 0.08 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.77 1ddt h LYS 242 Cb 0.14 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 1ddt h LYS 242 CO -0.18 0.52 -0.42 0.00 -3.45 0.00 0.00 179.45 175.92 1ddt h ALA 243 N 1.48 1.07 -0.05 5.00 0.00 0.13 0.23 119.26 127.12 1ddt h ALA 243 Ca -0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1ddt h ALA 243 Cb 1.39 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ddt h ALA 243 CO 0.07 0.60 -0.01 -0.22 0.00 0.00 0.00 179.25 179.69 1ddt h LYS 244 N 0.23 0.10 0.00 0.00 3.11 0.55 -1.07 116.57 119.49 1ddt h LYS 244 Ca 0.02 -0.04 0.02 0.00 -2.81 0.00 0.00 60.65 57.84 1ddt h LYS 244 Cb 0.84 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.04 1ddt h LYS 244 CO 0.07 0.42 -0.10 0.37 -2.81 0.00 0.00 179.45 177.40 1ddt h GLN 245 N -0.23 -0.16 -0.58 1.90 -0.00 -1.03 -0.58 115.11 114.43 1ddt h GLN 245 Ca 0.01 0.01 0.06 0.00 -0.00 0.00 0.00 58.65 58.73 1ddt h GLN 245 Cb 0.38 0.04 -0.05 0.00 0.00 0.00 0.00 27.48 27.85 1ddt h GLN 245 CO 0.00 -0.11 0.29 -0.92 0.00 0.00 0.00 178.83 178.10 1ddt h TYR 246 N -0.17 0.54 -0.78 3.99 3.20 -0.46 -2.98 116.97 120.31 1ddt h TYR 246 Ca 0.04 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1ddt h TYR 246 Cb 0.21 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 1ddt h TYR 246 CO -0.16 0.25 0.45 -0.07 -1.64 0.00 0.00 178.16 176.98 1ddt h LEU 247 N 0.55 0.94 -0.68 2.82 3.38 -0.43 0.16 115.31 122.05 1ddt h LEU 247 Ca 0.26 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 1ddt h LEU 247 Cb 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1ddt h LEU 247 CO -0.19 0.74 -0.39 -0.33 0.09 0.00 0.00 178.44 178.37 1ddt h GLU 248 N 1.07 0.58 -0.07 1.13 5.08 -1.04 0.23 114.58 121.56 1ddt h GLU 248 Ca 0.28 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1ddt h GLU 248 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1ddt h GLU 248 CO -0.05 0.87 -0.15 0.93 -1.00 0.00 0.00 179.01 179.62 1ddt h GLU 249 N 0.48 0.22 -0.71 2.33 5.08 -1.28 -0.94 114.58 119.77 1ddt h GLU 249 Ca 0.04 -0.14 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1ddt h GLU 249 Cb 0.89 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.10 1ddt h GLU 249 CO 0.08 0.74 0.41 0.35 -1.00 0.00 0.00 179.01 179.58 1ddt h PHE 250 N -0.28 0.75 -0.42 4.33 3.57 -0.51 -0.74 116.94 123.65 1ddt h PHE 250 Ca 0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1ddt h PHE 250 Cb 0.74 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1ddt h PHE 250 CO 0.12 0.37 0.26 1.25 -2.23 0.00 0.00 178.31 178.07 1ddt h HIS 251 N 0.76 0.55 -0.05 0.41 2.76 -0.57 -0.50 115.15 118.52 1ddt h HIS 251 Ca 0.31 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.49 1ddt h HIS 251 Cb 0.17 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 28.94 1ddt h HIS 251 CO -0.07 0.38 0.04 0.37 -1.30 0.00 0.00 177.93 177.36 1ddt h GLN 252 N 0.56 0.00 0.05 5.26 4.15 -0.05 -1.31 115.11 123.77 1ddt h GLN 252 Ca 0.15 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.24 1ddt h GLN 252 Cb -0.01 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.64 1ddt h GLN 252 CO -0.03 0.00 -1.89 2.41 -1.93 0.00 0.00 178.83 177.39 1ddt n THR 253 N -4.27 1.67 0.05 2.39 -1.04 -0.39 -4.21 114.28 108.49 1ddt n THR 253 Ca -0.02 -0.73 -0.08 0.00 -2.04 0.00 0.00 64.05 61.18 1ddt n THR 253 Cb 0.14 -1.33 0.07 0.00 -1.82 0.00 0.00 70.33 67.39 1ddt n THR 253 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ddt h ALA 254 N 0.56 0.71 0.00 2.41 0.00 -0.79 -3.06 119.26 119.09 1ddt h ALA 254 Ca -0.37 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1ddt h ALA 254 Cb 2.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1ddt h ALA 254 CO 0.08 0.73 0.00 -0.11 0.00 0.00 0.00 179.25 179.95 1ddt n LEU 255 N -3.88 0.00 -0.26 0.00 7.94 -0.52 -1.69 117.00 118.60 1ddt n LEU 255 Ca -0.03 0.50 0.14 0.00 -1.11 0.00 0.00 56.01 55.51 1ddt n LEU 255 Cb 0.65 -0.50 0.62 0.00 0.53 0.00 0.00 43.42 44.72 1ddt n LEU 255 CO 0.46 -0.26 0.90 -0.62 -1.11 0.00 0.00 177.39 176.77 1ddt n GLU 256 N -1.50 1.18 -2.47 1.96 1.02 -1.16 -4.67 120.64 115.01 1ddt n GLU 256 Ca 0.03 -0.52 -0.42 0.00 -0.02 0.00 0.00 57.16 56.24 1ddt n GLU 256 Cb 0.17 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 1ddt n GLU 256 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1ddt s HIS 257 N -2.17 3.48 0.12 -0.32 2.46 -0.68 -4.87 115.29 113.30 1ddt s HIS 257 Ca 0.36 1.38 0.16 0.00 0.47 0.00 0.00 55.06 57.43 1ddt s HIS 257 Cb 0.21 -3.37 0.85 0.00 -0.13 0.00 0.00 32.58 30.14 1ddt s HIS 257 CO 0.40 -1.05 1.39 -1.00 -2.47 0.00 0.00 174.74 172.01 1ddt h PRO 258 N 6.70 0.00 -0.00 2.88 0.13 -1.89 -0.16 132.00 139.66 1ddt h PRO 258 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1ddt h PRO 258 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ddt h PRO 258 CO 0.80 0.00 -0.55 0.39 -0.23 0.00 0.00 178.00 178.41 1ddt n GLU 259 N -2.19 0.38 -2.06 0.86 1.02 -1.26 -3.64 120.64 113.76 1ddt n GLU 259 Ca -0.01 -0.27 -0.21 0.00 -0.02 0.00 0.00 57.16 56.65 1ddt n GLU 259 Cb 0.34 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.29 1ddt n GLU 259 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ddt n LEU 260 N -1.08 4.60 0.00 -4.62 4.77 -0.08 -4.85 117.00 115.75 1ddt n LEU 260 Ca 0.07 -4.58 -0.08 0.00 -0.03 0.00 0.00 56.01 51.39 1ddt n LEU 260 Cb 0.36 -0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 41.11 1ddt n LEU 260 CO 0.34 2.00 0.27 0.77 -1.33 0.00 0.00 177.39 179.44 1ddt h SER 261 N 2.19 -0.11 -0.49 -1.43 4.64 -1.62 -2.64 113.55 114.09 1ddt h SER 261 Ca 0.32 -0.39 0.10 0.00 -0.47 0.00 0.00 61.79 61.35 1ddt h SER 261 Cb 1.51 0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 63.54 1ddt h SER 261 CO 0.69 0.53 -0.03 -0.33 -0.87 0.00 0.00 176.83 176.83 1ddt h GLU 262 N -0.95 0.08 -0.79 4.77 3.07 -1.89 0.68 114.58 119.55 1ddt h GLU 262 Ca -0.01 -0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.96 1ddt h GLU 262 Cb 0.49 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.32 1ddt h GLU 262 CO 0.02 0.05 0.52 1.25 -1.40 0.00 0.00 179.01 179.45 1ddt h LEU 263 N 0.08 0.57 -0.78 1.33 5.85 -1.92 0.01 115.31 120.45 1ddt h LEU 263 Ca 0.24 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 1ddt h LEU 263 Cb 0.37 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1ddt h LEU 263 CO -0.43 0.32 0.43 0.50 -0.34 0.00 0.00 178.44 178.91 1ddt h LYS 264 N 0.62 1.10 0.45 1.25 3.64 0.70 -2.45 116.57 121.88 1ddt h LYS 264 Ca 0.38 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1ddt h LYS 264 Cb 0.60 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1ddt h LYS 264 CO -0.14 0.81 -0.21 1.15 -2.27 0.00 0.00 179.45 178.79 1ddt h THR 265 N 1.09 0.16 0.00 1.00 2.02 0.34 -3.28 112.91 114.24 1ddt h THR 265 Ca 0.28 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1ddt h THR 265 Cb 0.04 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 1ddt h THR 265 CO -0.04 0.03 0.03 -0.37 0.37 0.00 0.00 175.52 175.54 1ddt h VAL 266 N -1.11 0.00 -0.45 3.16 -1.51 -1.09 -2.37 116.25 112.88 1ddt h VAL 266 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 1ddt h VAL 266 Cb 0.52 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 1ddt h VAL 266 CO 0.10 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 176.79 1ddt n THR 267 N -2.94 1.30 0.09 7.19 -2.24 -0.93 -4.60 114.28 112.15 1ddt n THR 267 Ca -0.03 -1.15 -0.18 0.00 -2.27 0.00 0.00 64.05 60.42 1ddt n THR 267 Cb 0.09 0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 68.56 1ddt n THR 267 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1ddt h GLY 268 N 2.73 0.53 0.00 3.38 0.00 -1.48 -3.40 103.07 104.83 1ddt h GLY 268 Ca 0.00 -1.10 -0.15 0.00 0.00 0.00 0.00 47.33 46.08 1ddt h GLY 268 CO 0.07 0.96 -1.00 0.00 0.00 0.00 0.00 176.54 176.57 1ddt h THR 269 N 0.22 0.62 -2.33 4.70 1.03 -1.81 -3.47 112.91 111.87 1ddt h THR 269 Ca -0.14 -1.80 -0.54 0.00 -0.01 0.00 0.00 66.41 63.92 1ddt h THR 269 Cb 1.82 1.50 0.02 0.00 -1.07 0.00 0.00 68.15 70.42 1ddt h THR 269 CO 0.21 0.21 1.22 -3.20 -0.01 0.00 0.00 175.52 173.94 1ddt n ASN 270 N -4.50 4.09 0.29 0.00 2.85 -1.26 -4.93 115.26 111.80 1ddt n ASN 270 Ca -0.24 0.91 0.13 0.00 -0.11 0.00 0.00 54.58 55.28 1ddt n ASN 270 Cb 0.54 -1.51 0.84 0.00 1.24 0.00 0.00 39.78 40.89 1ddt n ASN 270 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1ddt h PRO 271 N 10.35 0.00 0.00 1.20 0.13 -1.91 -1.66 132.00 140.10 1ddt h PRO 271 Ca -0.50 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 1ddt h PRO 271 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1ddt h PRO 271 CO 0.94 0.01 -0.23 0.28 -0.23 0.00 0.00 178.00 178.78 1ddt h VAL 272 N 0.00 1.09 -0.10 1.56 2.07 -1.96 -2.79 116.25 116.11 1ddt h VAL 272 Ca -0.00 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1ddt h VAL 272 Cb 0.03 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1ddt h VAL 272 CO 0.00 0.22 0.00 0.49 0.02 0.00 0.00 177.57 178.30 1ddt n PHE 273 N -4.16 0.12 -1.25 1.57 3.72 -0.63 -4.35 117.46 112.49 1ddt n PHE 273 Ca -0.02 -0.06 -0.32 0.00 -0.05 0.00 0.00 57.45 57.00 1ddt n PHE 273 Cb 0.29 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 38.93 1ddt n PHE 273 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ddt s ALA 274 N -1.88 2.08 0.43 4.37 0.00 -1.06 -4.85 121.76 120.85 1ddt s ALA 274 Ca 0.35 0.51 0.10 0.00 0.00 0.00 0.00 51.96 52.91 1ddt s ALA 274 Cb 0.19 -3.36 0.92 0.00 0.00 0.00 0.00 23.12 20.87 1ddt s ALA 274 CO 0.29 -1.94 2.04 0.78 0.00 0.00 0.00 175.76 176.93 1ddt h GLY 275 N -0.94 0.37 1.46 0.00 0.00 -1.91 0.19 103.07 102.24 1ddt h GLY 275 Ca -0.45 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 1ddt h GLY 275 CO 0.49 0.15 0.27 0.00 0.00 0.00 0.00 176.54 177.45 1ddt h ALA 276 N 1.77 1.51 0.00 3.60 0.00 -1.92 -2.22 119.26 122.00 1ddt h ALA 276 Ca 0.09 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1ddt h ALA 276 Cb 0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1ddt h ALA 276 CO -0.01 0.41 -0.85 -0.91 0.00 0.00 0.00 179.25 177.89 1ddt h ASN 277 N 0.71 0.00 -0.17 0.00 2.35 -0.93 0.12 115.58 117.67 1ddt h ASN 277 Ca 0.18 -0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.79 1ddt h ASN 277 Cb 0.04 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1ddt h ASN 277 CO -0.03 0.85 -0.37 1.88 -1.65 0.00 0.00 177.43 178.11 1ddt h TYR 278 N 0.00 0.82 -0.21 1.19 -1.99 -1.21 -1.32 116.97 114.25 1ddt h TYR 278 Ca -0.01 -0.23 -0.19 0.00 2.00 0.00 0.00 58.73 60.30 1ddt h TYR 278 Cb 1.50 -0.18 -0.00 0.00 2.00 0.00 0.00 36.73 40.05 1ddt h TYR 278 CO 0.00 0.96 -0.61 0.00 -0.00 0.00 0.00 178.16 178.51 1ddt h ALA 279 N 1.01 0.52 -0.56 3.88 0.00 -1.27 -1.00 119.26 121.85 1ddt h ALA 279 Ca 0.05 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 1ddt h ALA 279 Cb 0.90 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1ddt h ALA 279 CO 0.08 0.69 0.04 0.00 0.00 0.00 0.00 179.25 180.07 1ddt h ALA 280 N 0.78 0.75 0.29 0.00 0.00 -0.72 -1.60 119.26 118.77 1ddt h ALA 280 Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1ddt h ALA 280 Cb 1.20 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ddt h ALA 280 CO 0.12 0.54 -0.14 2.35 0.00 0.00 0.00 179.25 182.13 1ddt h TRP 281 N 0.85 -0.37 -0.77 0.00 2.91 -1.20 -2.78 115.95 114.60 1ddt h TRP 281 Ca 0.16 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.17 1ddt h TRP 281 Cb 0.48 0.12 -0.04 0.00 -0.51 0.00 0.00 29.16 29.22 1ddt h TRP 281 CO 0.04 -0.16 0.45 0.00 -1.03 0.00 0.00 178.44 177.74 1ddt h ALA 282 N 0.18 1.34 -0.70 2.65 0.00 -1.13 -1.67 119.26 119.93 1ddt h ALA 282 Ca -0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1ddt h ALA 282 Cb 0.37 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1ddt h ALA 282 CO 0.07 0.56 0.33 0.28 0.00 0.00 0.00 179.25 180.48 1ddt h VAL 283 N 1.06 1.23 -0.46 0.00 2.07 -1.33 -2.34 116.25 116.49 1ddt h VAL 283 Ca 0.27 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 67.05 1ddt h VAL 283 Cb -0.02 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1ddt h VAL 283 CO -0.05 0.28 -0.02 -1.13 0.02 0.00 0.00 177.57 176.67 1ddt h ASN 284 N 0.98 0.74 0.52 0.57 -0.00 -1.03 -2.04 115.58 115.31 1ddt h ASN 284 Ca 0.24 -0.18 -0.03 0.00 -0.00 0.00 0.00 56.30 56.33 1ddt h ASN 284 Cb 0.13 -0.20 0.01 0.00 -0.00 0.00 0.00 38.32 38.26 1ddt h ASN 284 CO -0.03 0.82 -0.25 0.58 -0.00 0.00 0.00 177.43 178.55 1ddt h VAL 285 N 0.72 0.16 -0.88 2.57 2.07 -1.35 -3.18 116.25 116.34 1ddt h VAL 285 Ca 0.14 -0.50 0.22 0.00 0.82 0.00 0.00 66.70 67.38 1ddt h VAL 285 Cb 0.47 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 1ddt h VAL 285 CO 0.02 0.03 0.60 0.00 0.02 0.00 0.00 177.57 178.24 1ddt h ALA 286 N -1.00 2.42 -0.00 1.67 0.00 -1.34 0.22 119.26 121.22 1ddt h ALA 286 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ddt h ALA 286 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ddt h ALA 286 CO 0.12 -0.70 -0.01 1.04 0.00 0.00 0.00 179.25 179.69 1ddt n GLN 287 N -4.43 1.03 0.00 0.00 6.02 -0.78 -3.78 117.38 115.44 1ddt n GLN 287 Ca 0.19 -0.21 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1ddt n GLN 287 Cb 0.78 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.55 1ddt n GLN 287 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1ddt n VAL 288 N -0.80 0.00 -3.76 5.09 0.24 0.73 -5.00 118.33 114.83 1ddt n VAL 288 Ca 0.21 -0.42 -0.37 0.00 -2.04 0.00 0.00 64.34 61.73 1ddt n VAL 288 Cb 0.19 1.17 -0.13 0.00 -1.47 0.00 0.00 33.84 33.60 1ddt n VAL 288 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1ddt s ILE 289 N -0.01 4.22 0.53 1.34 -1.09 -0.87 -5.01 121.20 120.30 1ddt s ILE 289 Ca 0.00 -0.27 0.05 0.00 -2.23 0.00 0.00 60.65 58.21 1ddt s ILE 289 Cb 0.00 -3.01 0.03 0.00 -1.58 0.00 0.00 42.46 37.90 1ddt s ILE 289 CO 0.00 0.30 0.37 1.51 -1.23 0.00 0.00 174.94 175.89 1ddt s ASP 290 N 1.59 4.61 0.19 3.58 1.47 -1.26 -4.36 116.67 122.50 1ddt s ASP 290 Ca 0.06 -1.23 -0.11 0.00 1.18 0.00 0.00 52.55 52.45 1ddt s ASP 290 Cb -0.15 0.32 0.11 0.00 -0.34 0.00 0.00 42.92 42.86 1ddt s ASP 290 CO 0.03 -1.04 1.77 0.77 0.68 0.00 0.00 175.17 177.38 1ddt h SER 291 N 0.83 0.89 -0.77 2.11 4.64 -1.98 0.90 113.55 120.17 1ddt h SER 291 Ca -0.38 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 60.75 1ddt h SER 291 Cb 1.30 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 63.13 1ddt h SER 291 CO 0.59 0.78 0.27 -0.08 -0.87 0.00 0.00 176.83 177.52 1ddt h GLU 292 N 0.93 1.18 0.07 4.77 4.81 -1.97 -1.85 114.58 122.52 1ddt h GLU 292 Ca 0.23 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1ddt h GLU 292 Cb 0.14 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1ddt h GLU 292 CO -0.03 0.98 -0.03 1.15 -0.73 0.00 0.00 179.01 180.35 1ddt h THR 293 N 1.13 1.09 -0.84 0.32 2.02 -1.84 -2.94 112.91 111.85 1ddt h THR 293 Ca 0.25 -0.55 0.22 0.00 0.77 0.00 0.00 66.41 67.11 1ddt h THR 293 Cb 0.27 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 1ddt h THR 293 CO -0.01 0.14 0.59 0.00 0.37 0.00 0.00 175.52 176.60 1ddt h ALA 294 N 0.57 2.57 0.00 6.16 0.00 -0.72 -1.31 119.26 126.53 1ddt h ALA 294 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ddt h ALA 294 Cb 0.30 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ddt h ALA 294 CO 0.02 -0.82 -0.07 -0.25 0.00 0.00 0.00 179.25 178.13 1ddt n ASP 295 N -4.37 0.79 -4.02 0.00 8.00 -0.71 -4.78 116.55 111.47 1ddt n ASP 295 Ca 0.17 0.53 -0.30 0.00 0.71 0.00 0.00 54.79 55.90 1ddt n ASP 295 Cb 0.81 -0.69 -0.16 0.00 -0.02 0.00 0.00 41.12 41.06 1ddt n ASP 295 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1ddt s ASN 296 N -4.47 2.75 0.10 -2.24 3.84 -0.49 -5.03 114.94 109.39 1ddt s ASN 296 Ca 0.10 -0.52 -0.23 0.00 0.21 0.00 0.00 52.86 52.42 1ddt s ASN 296 Cb 0.13 -1.20 -0.10 0.00 -0.55 0.00 0.00 41.25 39.53 1ddt s ASN 296 CO 0.61 -0.06 1.71 0.25 -2.79 0.00 0.00 177.10 176.82 1ddt h LEU 297 N 8.04 -0.22 -0.63 3.21 6.46 -1.86 0.79 115.31 131.10 1ddt h LEU 297 Ca -0.38 0.03 0.13 0.00 -0.12 0.00 0.00 57.88 57.54 1ddt h LEU 297 Cb 1.13 0.09 -0.10 0.00 -0.73 0.00 0.00 40.66 41.06 1ddt h LEU 297 CO 0.53 -0.11 0.06 -0.08 -0.62 0.00 0.00 178.44 178.22 1ddt h GLU 298 N -0.13 0.17 -0.01 1.25 4.57 -1.93 0.24 114.58 118.73 1ddt h GLU 298 Ca 0.03 -0.01 -0.18 0.00 -1.18 0.00 0.00 59.36 58.02 1ddt h GLU 298 Cb 0.17 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1ddt h GLU 298 CO -0.08 0.11 -0.79 0.87 -1.18 0.00 0.00 179.01 177.95 1ddt h LYS 299 N 0.18 0.14 -0.37 1.92 1.57 -1.79 0.23 116.57 118.46 1ddt h LYS 299 Ca 0.34 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1ddt h LYS 299 Cb 0.55 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1ddt h LYS 299 CO -0.49 0.86 0.16 1.15 -0.57 0.00 0.00 179.45 180.55 1ddt h THR 300 N 0.09 1.18 -0.35 -0.16 2.02 0.04 -2.06 112.91 113.66 1ddt h THR 300 Ca -0.03 -0.55 -0.13 0.00 0.77 0.00 0.00 66.41 66.47 1ddt h THR 300 Cb 1.38 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 1ddt h THR 300 CO 0.12 0.20 -0.31 0.74 0.37 0.00 0.00 175.52 176.63 1ddt h THR 301 N 0.45 1.28 -0.81 3.16 2.02 -0.25 -1.63 112.91 117.13 1ddt h THR 301 Ca 0.12 -1.46 -0.04 0.00 0.77 0.00 0.00 66.41 65.80 1ddt h THR 301 Cb 0.17 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 1ddt h THR 301 CO -0.01 0.48 0.36 0.00 0.37 0.00 0.00 175.52 176.72 1ddt h ALA 302 N 0.99 1.05 0.02 6.16 0.00 -0.48 -1.94 119.26 125.06 1ddt h ALA 302 Ca 0.07 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.55 1ddt h ALA 302 Cb 0.85 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ddt h ALA 302 CO 0.07 0.65 -1.02 0.00 0.00 0.00 0.00 179.25 178.95 1ddt h ALA 303 N 1.19 0.23 -0.10 0.00 0.00 -1.09 -3.29 119.26 116.19 1ddt h ALA 303 Ca 0.28 -0.72 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 1ddt h ALA 303 Cb 0.16 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ddt h ALA 303 CO -0.03 0.76 -0.42 -0.07 0.00 0.00 0.00 179.25 179.49 1ddt h LEU 304 N 0.29 0.24 -0.88 0.00 3.38 -1.22 -3.18 115.31 113.95 1ddt h LEU 304 Ca -0.11 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1ddt h LEU 304 Cb 1.67 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.36 1ddt h LEU 304 CO 0.19 0.64 0.00 -1.54 0.09 0.00 0.00 178.44 177.82 1ddt n SER 305 N -4.02 0.56 -0.65 -0.43 3.41 -0.74 -2.47 113.62 109.28 1ddt n SER 305 Ca -0.02 0.68 0.06 0.00 -0.26 0.00 0.00 58.87 59.33 1ddt n SER 305 Cb 0.48 -0.78 0.15 0.00 -0.26 0.00 0.00 64.21 63.80 1ddt n SER 305 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1ddt n ILE 306 N -2.17 0.96 -3.64 -1.33 -5.35 -1.20 -4.97 119.36 101.66 1ddt n ILE 306 Ca 0.01 -0.98 -0.32 0.00 -0.27 0.00 0.00 62.75 61.19 1ddt n ILE 306 Cb 0.15 0.53 -0.05 0.00 -1.74 0.00 0.00 39.64 38.53 1ddt n ILE 306 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1ddt s LEU 307 N -1.00 4.26 0.47 7.28 1.43 -1.03 -5.09 118.68 124.99 1ddt s LEU 307 Ca 0.23 0.64 -0.07 0.00 -1.03 0.00 0.00 54.13 53.91 1ddt s LEU 307 Cb 0.12 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 1ddt s LEU 307 CO 0.16 0.04 0.79 -2.16 0.23 0.00 0.00 176.35 175.42 1ddt s PRO 308 N -2.63 3.61 0.00 1.29 0.04 -1.26 -4.63 135.00 131.41 1ddt s PRO 308 Ca 0.41 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1ddt s PRO 308 Cb -0.12 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1ddt s PRO 308 CO 0.24 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.51 1ddt n GLY 309 N -2.03 0.68 0.23 0.56 0.00 -1.26 -4.90 105.19 98.48 1ddt n GLY 309 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 1ddt n GLY 309 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ddt h ILE 310 N 0.00 0.55 -0.07 -0.61 2.10 -1.97 -2.48 117.51 115.04 1ddt h ILE 310 Ca 0.00 -1.02 0.02 0.00 1.08 0.00 0.00 64.86 64.93 1ddt h ILE 310 Cb 0.00 1.69 -0.00 0.00 -1.09 0.00 0.00 36.82 37.42 1ddt h ILE 310 CO 0.00 0.20 0.07 1.23 -1.08 0.00 0.00 178.15 178.57 1ddt h GLY 311 N 1.86 0.00 1.06 8.18 0.00 -1.91 -1.35 103.07 110.90 1ddt h GLY 311 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1ddt h GLY 311 CO 0.03 0.00 0.17 1.76 0.00 0.00 0.00 176.54 178.50 1ddt h SER 312 N 0.00 1.07 1.26 0.19 0.02 -1.64 -1.55 113.55 112.90 1ddt h SER 312 Ca 0.03 -0.23 -0.08 0.00 -0.84 0.00 0.00 61.79 60.67 1ddt h SER 312 Cb 0.16 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1ddt h SER 312 CO -0.00 1.02 -0.77 -0.37 -1.14 0.00 0.00 176.83 175.57 1ddt h VAL 313 N 1.06 0.40 0.00 2.27 -1.51 -1.63 -3.26 116.25 113.58 1ddt h VAL 313 Ca 0.22 -1.65 -0.06 0.00 -1.23 0.00 0.00 66.70 63.98 1ddt h VAL 313 Cb 0.37 2.03 -0.01 0.00 -2.13 0.00 0.00 31.29 31.55 1ddt h VAL 313 CO 0.00 0.23 -0.51 0.24 -1.23 0.00 0.00 177.57 176.30 1ddt h MET 314 N 0.00 0.00 -1.93 5.19 2.86 -1.10 -3.44 114.93 116.52 1ddt h MET 314 Ca -0.05 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.49 1ddt h MET 314 Cb 1.28 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.96 1ddt h MET 314 CO 0.03 0.23 -0.17 0.41 1.06 0.00 0.00 176.91 178.47 1ddt n GLY 315 N 1.20 0.45 3.20 8.32 0.00 -0.63 -3.85 105.19 113.88 1ddt n GLY 315 Ca 0.01 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 1ddt n GLY 315 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ddt s ILE 316 N -2.88 3.04 -0.05 -0.61 1.01 -0.92 0.15 121.20 120.93 1ddt s ILE 316 Ca 0.12 -1.15 -0.22 0.00 0.00 0.00 0.00 60.65 59.41 1ddt s ILE 316 Cb -0.05 -2.63 0.05 0.00 0.01 0.00 0.00 42.46 39.83 1ddt s ILE 316 CO 0.15 0.05 0.49 0.00 0.00 0.00 0.00 174.94 175.63 1ddt s ALA 317 N 1.31 -1.24 -1.46 9.38 0.00 -0.65 -4.67 121.76 124.44 1ddt s ALA 317 Ca -0.02 0.87 -0.09 0.00 0.00 0.00 0.00 51.96 52.72 1ddt s ALA 317 Cb -0.18 -0.07 0.04 0.00 0.00 0.00 0.00 23.12 22.91 1ddt s ALA 317 CO -0.02 -0.30 0.77 -0.25 0.00 0.00 0.00 175.76 175.96 1ddt n ASP 318 N 1.32 -5.24 0.00 0.00 8.00 -1.26 -1.45 116.55 117.93 1ddt n ASP 318 Ca -0.20 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 54.82 1ddt n ASP 318 Cb 0.56 -4.22 0.00 0.00 -0.02 0.00 0.00 41.12 37.45 1ddt n ASP 318 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ddt n GLY 319 N -1.56 0.81 3.14 0.44 0.00 -1.26 -5.03 105.19 101.73 1ddt n GLY 319 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 1ddt n GLY 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddt s ALA 320 N -3.14 1.13 -0.70 4.61 0.00 -0.52 -5.09 121.76 118.05 1ddt s ALA 320 Ca 0.00 -0.86 -0.16 0.00 0.00 0.00 0.00 51.96 50.94 1ddt s ALA 320 Cb 0.00 -0.15 0.16 0.00 0.00 0.00 0.00 23.12 23.13 1ddt s ALA 320 CO 0.00 0.19 0.71 0.08 0.00 0.00 0.00 175.76 176.74 1ddt s VAL 321 N -0.98 5.22 0.06 0.00 1.01 -1.26 -1.63 120.40 122.81 1ddt s VAL 321 Ca 0.00 -1.75 -0.17 0.00 0.00 0.00 0.00 61.98 60.06 1ddt s VAL 321 Cb -0.08 -4.47 -0.17 0.00 0.00 0.00 0.00 36.38 31.66 1ddt s VAL 321 CO 0.01 -1.05 1.26 0.45 0.00 0.00 0.00 175.10 175.77 1ddt h HIS 322 N 8.54 0.77 -1.47 5.22 3.86 0.11 -3.38 115.15 128.81 1ddt h HIS 322 Ca -0.10 -0.33 -0.60 0.00 -1.16 0.00 0.00 60.37 58.18 1ddt h HIS 322 Cb 1.07 -0.12 -0.11 0.00 1.06 0.00 0.00 27.41 29.31 1ddt h HIS 322 CO 0.91 1.11 1.34 -1.01 0.86 0.00 0.00 177.93 181.14 1ddt s HIS 323 N -3.75 2.57 -0.16 2.45 3.76 -1.15 -4.76 115.29 114.24 1ddt s HIS 323 Ca -0.12 -0.80 0.17 0.00 -0.15 0.00 0.00 55.06 54.15 1ddt s HIS 323 Cb 0.06 -4.63 0.44 0.00 1.11 0.00 0.00 32.58 29.56 1ddt s HIS 323 CO 0.84 -1.90 1.19 0.27 -0.85 0.00 0.00 174.74 174.29 1ddt n ASN 324 N 8.64 2.00 -4.10 1.40 6.94 -1.26 -4.76 115.26 124.12 1ddt n ASN 324 Ca 0.27 -3.05 -0.19 0.00 -0.02 0.00 0.00 54.58 51.59 1ddt n ASN 324 Cb 0.50 -0.42 -0.13 0.00 -2.36 0.00 0.00 39.78 37.37 1ddt n ASN 324 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1ddt s THR 325 N -2.53 0.94 0.26 5.53 -4.23 -1.26 -5.00 115.64 109.35 1ddt s THR 325 Ca 0.38 -0.85 -0.02 0.00 -1.18 0.00 0.00 61.69 60.02 1ddt s THR 325 Cb 0.38 -0.86 0.26 0.00 1.34 0.00 0.00 72.50 73.62 1ddt s THR 325 CO -0.08 0.01 1.85 -0.33 -0.54 0.00 0.00 174.62 175.53 1ddt h GLU 326 N 5.14 1.00 -0.19 3.99 3.07 -1.95 -1.59 114.58 124.04 1ddt h GLU 326 Ca -0.36 -0.06 0.02 0.00 -0.50 0.00 0.00 59.36 58.46 1ddt h GLU 326 Cb 1.18 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.84 1ddt h GLU 326 CO 0.45 0.66 0.05 1.49 -1.40 0.00 0.00 179.01 180.26 1ddt h GLU 327 N 1.03 0.12 -0.16 2.33 4.57 -1.96 -1.23 114.58 119.29 1ddt h GLU 327 Ca 0.44 -0.01 -0.22 0.00 -1.18 0.00 0.00 59.36 58.40 1ddt h GLU 327 Cb 0.31 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1ddt h GLU 327 CO -0.22 0.08 -0.75 0.82 -1.18 0.00 0.00 179.01 177.77 1ddt h ILE 328 N 0.13 1.28 -0.53 2.32 2.04 -1.91 -1.53 117.51 119.31 1ddt h ILE 328 Ca 0.08 -1.94 -0.01 0.00 1.00 0.00 0.00 64.86 63.99 1ddt h ILE 328 Cb 0.07 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1ddt h ILE 328 CO -0.10 0.62 0.28 0.58 0.00 0.00 0.00 178.15 179.52 1ddt h VAL 329 N 0.53 1.19 -0.55 1.67 2.07 -1.31 -1.61 116.25 118.23 1ddt h VAL 329 Ca -0.05 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1ddt h VAL 329 Cb 1.38 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1ddt h VAL 329 CO 0.16 0.20 0.33 0.00 0.02 0.00 0.00 177.57 178.28 1ddt h ALA 330 N 1.12 0.71 -0.38 1.67 0.00 -1.19 -1.15 119.26 120.04 1ddt h ALA 330 Ca 0.19 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1ddt h ALA 330 Cb 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1ddt h ALA 330 CO -0.03 0.20 0.20 1.96 0.00 0.00 0.00 179.25 181.58 1ddt h GLN 331 N 0.75 0.39 -0.81 0.00 4.20 -1.09 -1.09 115.11 117.46 1ddt h GLN 331 Ca 0.20 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 1ddt h GLN 331 Cb -0.01 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 1ddt h GLN 331 CO -0.04 0.26 0.38 1.03 -0.67 0.00 0.00 178.83 179.79 1ddt h SER 332 N 0.40 1.08 -0.19 1.46 0.87 -1.09 0.55 113.55 116.63 1ddt h SER 332 Ca 0.16 -0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 1ddt h SER 332 Cb 0.05 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.73 1ddt h SER 332 CO -0.10 0.92 -0.18 0.40 -0.53 0.00 0.00 176.83 177.34 1ddt h ILE 333 N 1.16 1.33 -0.62 2.23 2.04 -1.04 -1.95 117.51 120.66 1ddt h ILE 333 Ca 0.28 -1.34 0.03 0.00 1.00 0.00 0.00 64.86 64.83 1ddt h ILE 333 Cb 0.14 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 1ddt h ILE 333 CO -0.03 0.41 0.37 0.00 0.00 0.00 0.00 178.15 178.89 1ddt h ALA 334 N 0.65 0.81 -0.65 1.87 0.00 -1.11 0.30 119.26 121.13 1ddt h ALA 334 Ca 0.03 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1ddt h ALA 334 Cb 0.72 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1ddt h ALA 334 CO 0.05 0.10 0.10 1.25 0.00 0.00 0.00 179.25 180.75 1ddt h LEU 335 N 0.72 1.01 -0.11 0.00 5.85 -0.86 -1.75 115.31 120.17 1ddt h LEU 335 Ca 0.26 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1ddt h LEU 335 Cb 0.06 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 1ddt h LEU 335 CO -0.12 1.01 0.01 -1.28 -0.34 0.00 0.00 178.44 177.71 1ddt h SER 336 N 0.99 0.18 -0.04 1.25 0.87 -0.74 -2.46 113.55 113.61 1ddt h SER 336 Ca 0.20 -0.30 0.03 0.00 -1.23 0.00 0.00 61.79 60.49 1ddt h SER 336 Cb 0.43 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.28 1ddt h SER 336 CO 0.01 0.43 -0.50 -1.28 -0.53 0.00 0.00 176.83 174.96 1ddt h SER 337 N -0.08 -1.56 -0.98 6.23 0.87 -0.26 -1.32 113.55 116.45 1ddt h SER 337 Ca 0.03 0.18 0.17 0.00 -1.23 0.00 0.00 61.79 60.94 1ddt h SER 337 Cb 0.33 0.60 -0.09 0.00 -0.44 0.00 0.00 62.40 62.81 1ddt h SER 337 CO 0.00 -0.50 0.61 -0.07 -0.53 0.00 0.00 176.83 176.35 1ddt h LEU 338 N -0.63 0.75 -0.54 2.23 -0.00 -1.33 -1.61 115.31 114.19 1ddt h LEU 338 Ca 0.03 0.07 -0.11 0.00 -0.00 0.00 0.00 57.88 57.87 1ddt h LEU 338 Cb 0.70 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.27 1ddt h LEU 338 CO -0.37 0.32 -0.53 0.24 -0.00 0.00 0.00 178.44 178.10 1ddt h MET 339 N 0.76 0.00 -0.25 1.13 2.86 -1.09 -2.88 114.93 115.46 1ddt h MET 339 Ca 0.53 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 58.09 1ddt h MET 339 Cb 0.82 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1ddt h MET 339 CO -0.30 0.53 -0.13 0.28 1.06 0.00 0.00 176.91 178.35 1ddt h VAL 340 N 0.00 1.30 -0.99 -2.22 2.07 -0.30 -1.73 116.25 114.39 1ddt h VAL 340 Ca -0.01 -1.22 0.24 0.00 0.82 0.00 0.00 66.70 66.53 1ddt h VAL 340 Cb 1.17 1.56 -0.08 0.00 -1.52 0.00 0.00 31.29 32.42 1ddt h VAL 340 CO 0.07 0.38 0.65 0.00 0.02 0.00 0.00 177.57 178.69 1ddt h ALA 341 N 0.72 2.23 0.09 1.67 0.00 -1.31 0.20 119.26 122.87 1ddt h ALA 341 Ca 0.06 0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.74 1ddt h ALA 341 Cb 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1ddt h ALA 341 CO 0.04 -0.58 -1.25 1.96 0.00 0.00 0.00 179.25 179.42 1ddt h GLN 342 N 0.40 0.20 -0.06 0.00 1.08 -1.38 -3.34 115.11 112.02 1ddt h GLN 342 Ca 0.54 -0.34 -0.21 0.00 -1.45 0.00 0.00 58.65 57.20 1ddt h GLN 342 Cb 1.37 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.93 1ddt h GLN 342 CO -0.24 1.13 -0.83 0.00 -0.95 0.00 0.00 178.83 177.94 1ddt h ALA 343 N 0.68 0.44 -0.26 3.87 0.00 0.03 -3.36 119.26 120.66 1ddt h ALA 343 Ca -0.13 -0.65 0.06 0.00 0.00 0.00 0.00 54.91 54.20 1ddt h ALA 343 Cb 1.93 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.62 1ddt h ALA 343 CO 0.18 0.77 -0.25 0.82 0.00 0.00 0.00 179.25 180.76 1ddt h ILE 344 N 0.30 0.36 -0.35 0.00 2.04 -0.85 0.12 117.51 119.15 1ddt h ILE 344 Ca -0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1ddt h ILE 344 Cb 1.44 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1ddt h ILE 344 CO 0.15 0.00 0.16 -0.65 0.00 0.00 0.00 178.15 177.80 1ddt h PRO 345 N -0.25 0.48 0.16 2.37 0.11 -1.76 0.70 132.00 133.81 1ddt h PRO 345 Ca 0.14 -0.05 -0.32 0.00 0.11 0.00 0.00 66.00 65.88 1ddt h PRO 345 Cb 0.47 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.49 1ddt h PRO 345 CO -0.41 0.38 -1.55 -0.07 -0.21 0.00 0.00 178.00 176.14 1ddt h LEU 346 N 0.48 0.52 0.00 2.35 3.38 -1.56 -2.66 115.31 117.82 1ddt h LEU 346 Ca 0.12 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1ddt h LEU 346 Cb 0.07 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1ddt h LEU 346 CO -0.02 1.56 -0.22 1.33 0.09 0.00 0.00 178.44 181.19 1ddt n VAL 347 N -3.53 0.00 -2.38 1.22 0.24 -0.02 -1.46 118.33 112.40 1ddt n VAL 347 Ca -0.18 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1ddt n VAL 347 Cb 1.06 0.83 0.00 0.00 -1.47 0.00 0.00 33.84 34.26 1ddt n VAL 347 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ddt n GLY 348 N 1.12 4.07 2.89 7.63 0.00 0.24 -4.56 105.19 116.58 1ddt n GLY 348 Ca 0.00 -2.04 -0.14 0.00 0.00 0.00 0.00 46.02 43.85 1ddt n GLY 348 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ddt s GLU 349 N 2.21 0.24 0.00 1.61 -1.05 -1.25 -4.75 118.70 115.70 1ddt s GLU 349 Ca 0.00 0.47 0.00 0.00 -0.15 0.00 0.00 54.97 55.29 1ddt s GLU 349 Cb 0.00 -0.64 0.00 0.00 -0.44 0.00 0.00 34.13 33.05 1ddt s GLU 349 CO 0.00 -0.55 0.00 1.47 0.95 0.00 0.00 175.26 177.13 1ddt n LEU 350 N 5.34 0.00 -3.37 1.83 -0.00 -1.26 -4.26 117.00 115.29 1ddt n LEU 350 Ca -0.05 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.58 1ddt n LEU 350 Cb 0.50 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.93 1ddt n LEU 350 CO 0.06 0.00 1.21 0.55 -0.00 0.00 0.00 177.39 179.20 1ddt n VAL 351 N 9.00 5.11 0.00 1.47 3.14 -1.26 -4.92 118.33 130.86 1ddt n VAL 351 Ca 0.00 -5.62 0.00 0.00 -2.96 0.00 0.00 64.34 55.76 1ddt n VAL 351 Cb 0.00 -1.47 0.00 0.00 -1.06 0.00 0.00 33.84 31.31 1ddt n VAL 351 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1ddt n ASP 352 N -0.18 0.00 -0.35 6.55 5.75 -1.26 0.17 116.55 127.23 1ddt n ASP 352 Ca 0.45 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 55.28 1ddt n ASP 352 Cb 0.29 0.00 0.12 0.00 -1.03 0.00 0.00 41.12 40.51 1ddt n ASP 352 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1ddt n ILE 353 N -2.92 -0.42 0.00 2.12 -5.35 -1.26 -3.08 119.36 108.46 1ddt n ILE 353 Ca 0.00 2.23 0.00 0.00 -0.27 0.00 0.00 62.75 64.71 1ddt n ILE 353 Cb 0.00 -3.07 0.00 0.00 -1.74 0.00 0.00 39.64 34.83 1ddt n ILE 353 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ddt n GLY 354 N -1.59 -1.45 0.33 3.28 0.00 0.45 -4.01 105.19 102.20 1ddt n GLY 354 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1ddt n GLY 354 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ddt n PHE 355 N -1.56 -0.35 -0.33 1.61 7.35 -1.23 -1.95 117.46 121.01 1ddt n PHE 355 Ca 0.00 0.98 0.25 0.00 -0.76 0.00 0.00 57.45 57.92 1ddt n PHE 355 Cb 0.00 -0.56 0.48 0.00 0.35 0.00 0.00 39.48 39.75 1ddt n PHE 355 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ddt h ALA 356 N 0.22 1.91 0.00 3.13 0.00 -1.74 0.46 119.26 123.23 1ddt h ALA 356 Ca 0.13 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1ddt h ALA 356 Cb 0.32 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ddt h ALA 356 CO -0.74 -0.69 -0.72 0.00 0.00 0.00 0.00 179.25 177.10 1ddt h ALA 357 N 1.90 0.57 -3.00 0.00 0.00 -1.53 -3.35 119.26 113.86 1ddt h ALA 357 Ca 0.75 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.66 1ddt h ALA 357 Cb 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1ddt h ALA 357 CO -0.69 0.00 0.00 0.98 0.00 0.00 0.00 179.25 179.54 1ddt n TYR 358 N -2.34 0.00 0.28 0.00 9.36 0.16 -4.60 117.16 120.02 1ddt n TYR 358 Ca 0.02 0.00 0.17 0.00 3.32 0.00 0.00 57.90 61.42 1ddt n TYR 358 Cb 0.48 0.00 0.71 0.00 -0.63 0.00 0.00 39.34 39.90 1ddt n TYR 358 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1ddt h ASN 359 N 0.00 0.00 -0.21 2.98 2.35 -1.72 -1.25 115.58 117.74 1ddt h ASN 359 Ca 0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.55 1ddt h ASN 359 Cb 0.00 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.38 1ddt h ASN 359 CO 0.00 0.01 -0.64 0.15 -1.65 0.00 0.00 177.43 175.30 1ddt h PHE 360 N 0.00 1.04 -0.11 1.19 3.57 -1.64 -2.29 116.94 118.71 1ddt h PHE 360 Ca -0.00 -0.42 -0.14 0.00 3.53 0.00 0.00 57.97 60.94 1ddt h PHE 360 Cb 0.49 -0.18 0.01 0.00 2.79 0.00 0.00 35.95 39.06 1ddt h PHE 360 CO 0.00 1.24 -0.48 0.28 -2.23 0.00 0.00 178.31 177.12 1ddt h VAL 361 N 0.54 1.37 -0.76 1.41 2.07 -1.56 -1.89 116.25 117.43 1ddt h VAL 361 Ca -0.02 -1.80 0.04 0.00 0.82 0.00 0.00 66.70 65.74 1ddt h VAL 361 Cb 1.26 2.17 -0.05 0.00 -1.52 0.00 0.00 31.29 33.15 1ddt h VAL 361 CO 0.14 0.54 0.47 -0.33 0.02 0.00 0.00 177.57 178.41 1ddt h GLU 362 N 0.12 0.88 -0.12 1.57 4.39 -1.29 -1.24 114.58 118.89 1ddt h GLU 362 Ca -0.03 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 1ddt h GLU 362 Cb 1.12 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1ddt h GLU 362 CO 0.10 0.58 -0.24 1.03 -1.16 0.00 0.00 179.01 179.32 1ddt h SER 363 N 0.90 0.42 0.69 1.42 0.87 -1.46 -3.05 113.55 113.33 1ddt h SER 363 Ca 0.32 -0.56 -0.09 0.00 -1.23 0.00 0.00 61.79 60.22 1ddt h SER 363 Cb 0.07 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1ddt h SER 363 CO -0.13 0.90 -0.45 -0.29 -0.53 0.00 0.00 176.83 176.33 1ddt h ILE 364 N -0.05 1.11 -0.97 2.23 2.10 -1.09 -2.14 117.51 118.70 1ddt h ILE 364 Ca 0.00 -1.65 0.03 0.00 1.08 0.00 0.00 64.86 64.32 1ddt h ILE 364 Cb 0.83 1.95 -0.05 0.00 -1.09 0.00 0.00 36.82 38.45 1ddt h ILE 364 CO 0.05 0.44 0.63 0.40 -1.08 0.00 0.00 178.15 178.59 1ddt h ILE 365 N 0.00 1.18 -0.33 2.19 2.04 -1.25 -1.94 117.51 119.41 1ddt h ILE 365 Ca -0.00 -0.43 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 1ddt h ILE 365 Cb 0.91 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1ddt h ILE 365 CO 0.06 0.23 0.03 -1.13 0.00 0.00 0.00 178.15 177.33 1ddt h ASN 366 N 1.24 0.54 0.27 1.72 -1.24 -1.29 -1.90 115.58 114.92 1ddt h ASN 366 Ca 0.38 -0.28 -0.04 0.00 0.71 0.00 0.00 56.30 57.06 1ddt h ASN 366 Cb -0.03 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 38.87 1ddt h ASN 366 CO -0.11 0.69 -0.21 -0.07 -1.29 0.00 0.00 177.43 176.44 1ddt h LEU 367 N 0.38 0.00 -0.03 0.34 3.38 -1.05 -1.27 115.31 117.06 1ddt h LEU 367 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1ddt h LEU 367 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1ddt h LEU 367 CO 0.01 0.21 -0.02 -0.26 0.09 0.00 0.00 178.44 178.48 1ddt h PHE 368 N 0.00 0.08 -0.55 1.13 -1.00 -1.14 -0.68 116.94 114.79 1ddt h PHE 368 Ca -0.00 -0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.77 1ddt h PHE 368 Cb 0.40 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 39.91 1ddt h PHE 368 CO 0.00 0.46 0.35 1.96 -1.61 0.00 0.00 178.31 179.47 1ddt h GLN 369 N -0.32 0.68 0.08 1.51 4.20 -1.04 0.48 115.11 120.70 1ddt h GLN 369 Ca 0.01 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.70 1ddt h GLN 369 Cb 0.44 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1ddt h GLN 369 CO 0.00 0.45 -0.22 0.28 -0.67 0.00 0.00 178.83 178.68 1ddt h VAL 370 N 0.70 0.51 -0.04 -0.54 2.07 -1.08 -1.74 116.25 116.13 1ddt h VAL 370 Ca 0.21 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.62 1ddt h VAL 370 Cb -0.04 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1ddt h VAL 370 CO -0.06 0.00 -0.47 0.58 0.02 0.00 0.00 177.57 177.64 1ddt h VAL 371 N -0.39 1.34 -0.44 2.57 2.07 -0.65 -2.95 116.25 117.80 1ddt h VAL 371 Ca 0.04 -1.64 -0.11 0.00 0.82 0.00 0.00 66.70 65.80 1ddt h VAL 371 Cb 0.43 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1ddt h VAL 371 CO -0.14 0.48 -0.17 0.45 0.02 0.00 0.00 177.57 178.20 1ddt h HIS 372 N 0.09 1.02 -0.73 1.57 -0.00 -0.87 -2.61 115.15 113.61 1ddt h HIS 372 Ca 0.00 -0.24 0.08 0.00 -0.00 0.00 0.00 60.37 60.22 1ddt h HIS 372 Cb 0.86 -0.24 -0.07 0.00 -0.00 0.00 0.00 27.41 27.97 1ddt h HIS 372 CO 0.01 1.02 0.39 -0.97 -0.00 0.00 0.00 177.93 178.38 1ddt h ASN 373 N 0.72 0.54 -0.24 2.45 -0.73 -1.18 0.22 115.58 117.35 1ddt h ASN 373 Ca 0.10 0.05 -0.03 0.00 1.87 0.00 0.00 56.30 58.29 1ddt h ASN 373 Cb 0.73 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.26 1ddt h ASN 373 CO 0.06 0.32 0.02 0.28 -0.37 0.00 0.00 177.43 177.74 1ddt h SER 374 N 0.68 0.40 0.67 1.15 0.02 -1.40 -2.16 113.55 112.91 1ddt h SER 374 Ca 0.35 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1ddt h SER 374 Cb 0.31 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 1ddt h SER 374 CO -0.24 0.58 -0.14 1.88 -1.14 0.00 0.00 176.83 177.78 1ddt h TYR 375 N 0.21 0.00 0.00 3.45 0.05 -1.06 -2.18 116.97 117.44 1ddt h TYR 375 Ca 0.07 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.81 1ddt h TYR 375 Cb 0.36 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 1ddt h TYR 375 CO 0.03 0.14 -0.21 -0.91 -1.05 0.00 0.00 178.16 176.15 1ddt h ASN 376 N 0.00 0.00 -3.89 3.88 2.35 0.02 -3.45 115.58 114.50 1ddt h ASN 376 Ca -0.00 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.28 1ddt h ASN 376 Cb 0.51 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1ddt h ASN 376 CO 0.02 0.21 0.36 -0.13 -1.65 0.00 0.00 177.43 176.24 1ddt s ARG 377 N -3.33 4.55 0.26 0.81 0.52 -0.82 -4.82 118.95 116.11 1ddt s ARG 377 Ca 0.03 1.38 -0.30 0.00 -0.52 0.00 0.00 55.73 56.32 1ddt s ARG 377 Cb 0.08 -2.80 -0.11 0.00 0.52 0.00 0.00 34.95 32.64 1ddt s ARG 377 CO 0.67 0.23 1.56 -2.14 0.02 0.00 0.00 175.30 175.64 1ddt s PRO 378 N -2.05 4.17 0.15 3.54 0.02 -1.26 -4.98 135.00 134.59 1ddt s PRO 378 Ca 0.51 2.48 -0.16 0.00 0.02 0.00 0.00 61.00 63.85 1ddt s PRO 378 Cb -0.20 -3.07 0.03 0.00 0.02 0.00 0.00 34.50 31.29 1ddt s PRO 378 CO 0.25 -0.59 0.43 0.00 -0.33 0.00 0.00 177.00 176.76 1ddt s ALA 379 N 0.26 -0.86 -0.17 -1.55 0.00 -1.26 -4.98 121.76 113.19 1ddt s ALA 379 Ca 0.64 -0.17 -0.11 0.00 0.00 0.00 0.00 51.96 52.33 1ddt s ALA 379 Cb -0.46 0.76 -0.05 0.00 0.00 0.00 0.00 23.12 23.37 1ddt s ALA 379 CO 0.43 -0.69 0.19 0.71 0.00 0.00 0.00 175.76 176.40 1ddt s TYR 380 N -3.84 3.45 0.91 0.00 2.02 -1.26 -5.10 117.35 113.54 1ddt s TYR 380 Ca 0.06 0.45 -0.12 0.00 -0.37 0.00 0.00 57.07 57.09 1ddt s TYR 380 Cb 0.01 -2.20 0.14 0.00 -0.40 0.00 0.00 41.96 39.51 1ddt s TYR 380 CO -0.08 0.33 1.13 -1.12 -1.57 0.00 0.00 175.55 174.23 1ddt s SER 381 N 0.21 3.52 0.29 2.29 0.01 -1.26 -4.88 113.70 113.88 1ddt s SER 381 Ca 0.12 1.04 -0.30 0.00 1.31 0.00 0.00 55.95 58.12 1ddt s SER 381 Cb -0.12 -1.65 -0.12 0.00 0.21 0.00 0.00 66.02 64.34 1ddt s SER 381 CO 0.01 -2.55 1.60 -2.65 0.41 0.00 0.00 173.24 170.06 1ddt n PRO 382 N -3.78 2.71 -0.73 12.44 -0.02 -1.26 -1.53 135.00 142.83 1ddt n PRO 382 Ca 0.06 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 1ddt n PRO 382 Cb 0.59 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1ddt n PRO 382 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ddt n GLY 383 N 2.20 0.68 3.65 -1.23 0.00 -0.58 -4.84 105.19 105.07 1ddt n GLY 383 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1ddt n GLY 383 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ddt s HIS 384 N -2.28 3.06 0.00 1.61 3.76 -0.58 -1.36 115.29 119.50 1ddt s HIS 384 Ca 0.00 0.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.01 1ddt s HIS 384 Cb 0.00 -1.73 0.00 0.00 1.11 0.00 0.00 32.58 31.96 1ddt s HIS 384 CO 0.00 0.42 0.00 1.63 -0.85 0.00 0.00 174.74 175.94 1ddt n LYS 385 N 1.96 0.00 -0.62 1.40 4.76 -1.26 -0.18 118.16 124.22 1ddt n LYS 385 Ca -0.17 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.35 1ddt n LYS 385 Cb 0.53 0.00 0.34 0.00 -1.84 0.00 0.00 35.03 34.06 1ddt n LYS 385 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1ddt n THR 386 N 0.00 2.12 -2.32 -0.18 -2.24 -1.26 -4.02 114.28 106.38 1ddt n THR 386 Ca 0.00 -1.38 -0.42 0.00 -2.27 0.00 0.00 64.05 59.98 1ddt n THR 386 Cb 0.00 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.17 1ddt n THR 386 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1ddt s GLN 387 N -2.23 4.36 0.68 -0.78 -1.52 0.75 -4.76 119.66 116.17 1ddt s GLN 387 Ca 0.48 1.88 -0.14 0.00 -1.95 0.00 0.00 55.36 55.64 1ddt s GLN 387 Cb 0.34 -3.39 0.01 0.00 -0.22 0.00 0.00 33.01 29.75 1ddt s GLN 387 CO 0.18 -0.39 1.09 -1.25 -0.25 0.00 0.00 175.29 174.68 1ddt s PRO 388 N 1.45 2.73 -0.22 2.91 0.04 -1.26 -1.53 135.00 139.12 1ddt s PRO 388 Ca 0.61 1.27 -0.05 0.00 0.04 0.00 0.00 61.00 62.88 1ddt s PRO 388 Cb -0.31 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 1ddt s PRO 388 CO 0.28 -1.29 -0.01 0.12 0.04 0.00 0.00 177.00 176.15 1ddt s PHE 389 N -2.56 3.00 -0.31 0.56 2.19 -0.04 -3.32 117.98 117.50 1ddt s PHE 389 Ca 0.64 -0.67 -0.03 0.00 0.33 0.00 0.00 56.93 57.20 1ddt s PHE 389 Cb -0.19 -2.12 0.05 0.00 -1.31 0.00 0.00 43.02 39.46 1ddt s PHE 389 CO 0.46 -0.41 0.03 -0.51 1.83 0.00 0.00 175.22 176.62 1ddt s LEU 390 N 1.34 4.07 -0.28 6.12 1.43 -1.26 -1.86 118.68 128.24 1ddt s LEU 390 Ca 0.04 -1.31 -0.19 0.00 -1.03 0.00 0.00 54.13 51.64 1ddt s LEU 390 Cb -0.15 -1.75 0.10 0.00 0.03 0.00 0.00 46.19 44.43 1ddt s LEU 390 CO 0.00 -0.29 0.81 -2.28 0.23 0.00 0.00 176.35 174.82 1ddt s HIS 391 N 1.27 -0.80 -1.92 0.29 2.46 -0.73 -4.92 115.29 110.94 1ddt s HIS 391 Ca -0.04 1.71 0.00 0.00 0.47 0.00 0.00 55.06 57.21 1ddt s HIS 391 Cb -0.20 0.45 0.00 0.00 -0.13 0.00 0.00 32.58 32.70 1ddt s HIS 391 CO -0.01 -0.39 0.00 -0.25 -2.47 0.00 0.00 174.74 171.62 1ddt n ASP 392 N 3.48 -5.59 0.00 9.88 8.00 -1.26 -1.97 116.55 129.10 1ddt n ASP 392 Ca -0.17 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1ddt n ASP 392 Cb 0.57 -4.73 0.00 0.00 -0.02 0.00 0.00 41.12 36.95 1ddt n ASP 392 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ddt n GLY 393 N -0.77 1.30 3.92 0.44 0.00 -1.26 -5.04 105.19 103.78 1ddt n GLY 393 Ca -0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 1ddt n GLY 393 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ddt s TYR 394 N -2.31 3.48 -0.06 1.61 2.02 -0.83 -0.08 117.35 121.17 1ddt s TYR 394 Ca 0.00 0.51 0.01 0.00 -0.37 0.00 0.00 57.07 57.22 1ddt s TYR 394 Cb 0.00 -2.00 0.02 0.00 -0.40 0.00 0.00 41.96 39.58 1ddt s TYR 394 CO 0.00 0.24 -0.06 0.00 -1.57 0.00 0.00 175.55 174.17 1ddt s ALA 395 N -2.02 0.90 0.03 3.71 0.00 -0.54 -1.78 121.76 122.06 1ddt s ALA 395 Ca 0.42 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.18 1ddt s ALA 395 Cb -0.11 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 1ddt s ALA 395 CO 0.30 -0.13 -0.07 0.14 0.00 0.00 0.00 175.76 176.00 1ddt s VAL 396 N 1.17 0.45 0.07 0.00 -7.23 -0.78 -2.31 120.40 111.79 1ddt s VAL 396 Ca -0.06 -0.88 -0.24 0.00 -1.81 0.00 0.00 61.98 58.98 1ddt s VAL 396 Cb -0.14 -0.51 0.06 0.00 0.56 0.00 0.00 36.38 36.35 1ddt s VAL 396 CO -0.01 -0.30 0.57 -0.94 -0.31 0.00 0.00 175.10 174.11 1ddt s SER 397 N -1.27 -0.51 0.16 4.85 1.04 -0.82 -0.86 113.70 116.28 1ddt s SER 397 Ca -0.08 0.18 -0.30 0.00 0.48 0.00 0.00 55.95 56.22 1ddt s SER 397 Cb -0.08 0.54 -0.08 0.00 0.10 0.00 0.00 66.02 66.50 1ddt s SER 397 CO 0.00 -0.80 1.26 0.26 0.98 0.00 0.00 173.24 174.94 1ddt s TRP 398 N -2.77 3.35 0.35 5.02 0.52 -1.26 -0.18 118.94 123.97 1ddt s TRP 398 Ca -0.04 1.27 0.05 0.00 0.02 0.00 0.00 56.10 57.41 1ddt s TRP 398 Cb -0.00 -3.52 0.70 0.00 -1.15 0.00 0.00 33.47 29.50 1ddt s TRP 398 CO -0.04 -1.59 1.93 -0.97 0.02 0.00 0.00 176.95 176.30 1ddt h ASN 399 N 5.79 0.72 -5.30 2.95 -1.24 -1.21 -3.42 115.58 113.87 1ddt h ASN 399 Ca -0.44 0.01 -0.13 0.00 0.71 0.00 0.00 56.30 56.46 1ddt h ASN 399 Cb 1.21 -0.14 -0.14 0.00 0.73 0.00 0.00 38.32 39.98 1ddt h ASN 399 CO 0.78 0.45 -0.45 0.42 -1.29 0.00 0.00 177.43 177.35 1ddt s THR 400 N -5.73 0.10 0.22 -3.57 -4.23 -1.26 -5.01 115.64 96.14 1ddt s THR 400 Ca -0.10 -1.55 -0.09 0.00 -1.18 0.00 0.00 61.69 58.77 1ddt s THR 400 Cb 0.20 -1.82 0.16 0.00 1.34 0.00 0.00 72.50 72.38 1ddt s THR 400 CO 0.78 -0.44 1.84 0.58 -0.54 0.00 0.00 174.62 176.85 1ddt h VAL 401 N 2.70 1.07 -0.08 2.29 2.07 -1.87 -2.86 116.25 119.57 1ddt h VAL 401 Ca -0.33 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1ddt h VAL 401 Cb 1.21 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1ddt h VAL 401 CO 0.54 0.16 0.01 -0.08 0.02 0.00 0.00 177.57 178.22 1ddt h GLU 402 N 0.87 0.11 -0.53 1.57 4.57 -1.97 -2.18 114.58 117.03 1ddt h GLU 402 Ca 0.31 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.50 1ddt h GLU 402 Cb 0.07 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1ddt h GLU 402 CO -0.13 0.12 0.35 -0.44 -1.18 0.00 0.00 179.01 177.73 1ddt h ASP 403 N 0.11 0.54 0.24 1.04 3.32 -1.84 -2.02 116.42 117.82 1ddt h ASP 403 Ca 0.03 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1ddt h ASP 403 Cb 0.06 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1ddt h ASP 403 CO -0.00 0.38 0.00 -1.54 -1.72 0.00 0.00 179.24 176.36 1ddt n SER 404 N -4.47 0.00 -4.41 6.45 3.41 -0.82 -4.68 113.62 109.11 1ddt n SER 404 Ca 0.06 -0.30 -0.34 0.00 -0.26 0.00 0.00 58.87 58.03 1ddt n SER 404 Cb 0.12 -0.17 -0.13 0.00 -0.26 0.00 0.00 64.21 63.77 1ddt n SER 404 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ddt s ILE 405 N -2.33 3.50 -0.44 -1.33 1.01 -0.76 -1.19 121.20 119.66 1ddt s ILE 405 Ca 0.26 -0.48 -0.13 0.00 0.00 0.00 0.00 60.65 60.30 1ddt s ILE 405 Cb 0.15 -2.53 0.07 0.00 0.01 0.00 0.00 42.46 40.15 1ddt s ILE 405 CO 0.30 0.48 0.32 -0.63 0.00 0.00 0.00 174.94 175.41 1ddt s ILE 406 N 0.70 4.77 0.42 2.92 1.01 -0.27 -4.96 121.20 125.78 1ddt s ILE 406 Ca -0.03 -1.15 -0.18 0.00 0.00 0.00 0.00 60.65 59.29 1ddt s ILE 406 Cb -0.15 -3.85 -0.10 0.00 0.01 0.00 0.00 42.46 38.38 1ddt s ILE 406 CO 0.02 -0.50 0.89 -0.13 0.00 0.00 0.00 174.94 175.22 1ddt s ARG 407 N 1.55 4.08 0.18 2.79 0.52 -1.26 -1.81 118.95 125.00 1ddt s ARG 407 Ca 0.03 0.92 0.02 0.00 -0.52 0.00 0.00 55.73 56.18 1ddt s ARG 407 Cb -0.23 -2.25 -0.05 0.00 0.52 0.00 0.00 34.95 32.94 1ddt s ARG 407 CO 0.05 -0.03 0.02 -0.08 0.02 0.00 0.00 175.30 175.28 1ddt s THR 408 N -2.23 0.62 0.00 0.02 -1.32 0.93 -4.88 115.64 108.79 1ddt s THR 408 Ca 0.58 -1.98 0.00 0.00 -1.21 0.00 0.00 61.69 59.09 1ddt s THR 408 Cb -0.10 -2.17 0.00 0.00 -1.51 0.00 0.00 72.50 68.73 1ddt s THR 408 CO 0.19 -0.43 0.00 0.61 -2.21 0.00 0.00 174.62 172.79 1ddt n GLY 409 N -0.25 1.00 3.32 6.08 0.00 -1.26 -4.64 105.19 109.43 1ddt n GLY 409 Ca -0.06 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 1ddt n GLY 409 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ddt s PHE 410 N -2.00 -0.22 -0.13 1.61 -0.12 -1.20 -4.76 117.98 111.17 1ddt s PHE 410 Ca 0.00 -0.01 -0.14 0.00 -0.05 0.00 0.00 56.93 56.73 1ddt s PHE 410 Cb 0.00 0.24 -0.05 0.00 -0.63 0.00 0.00 43.02 42.58 1ddt s PHE 410 CO 0.00 -0.65 0.32 -0.65 -0.05 0.00 0.00 175.22 174.19 1ddt s GLN 411 N -3.34 4.15 0.00 1.99 -0.21 -1.26 -4.38 119.66 116.62 1ddt s GLN 411 Ca 0.00 0.18 0.00 0.00 0.02 0.00 0.00 55.36 55.56 1ddt s GLN 411 Cb 0.01 -3.38 0.00 0.00 1.00 0.00 0.00 33.01 30.64 1ddt s GLN 411 CO -0.09 0.34 0.00 0.41 -2.12 0.00 0.00 175.29 173.83 1ddt n GLY 412 N 3.02 0.62 3.45 3.09 0.00 -0.37 -4.97 105.19 110.04 1ddt n GLY 412 Ca -0.12 -1.70 -0.22 0.00 0.00 0.00 0.00 46.02 43.98 1ddt n GLY 412 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ddt s GLU 413 N -2.00 1.60 0.08 1.61 -1.05 -1.26 0.08 118.70 117.75 1ddt s GLU 413 Ca 0.00 -1.77 -0.02 0.00 -0.15 0.00 0.00 54.97 53.03 1ddt s GLU 413 Cb 0.00 -1.45 -0.04 0.00 -0.44 0.00 0.00 34.13 32.20 1ddt s GLU 413 CO 0.00 0.18 0.03 -1.54 0.95 0.00 0.00 175.26 174.88 1ddt s SER 414 N -3.47 0.39 0.03 0.83 1.04 -0.79 -4.99 113.70 106.74 1ddt s SER 414 Ca 0.29 -1.02 0.03 0.00 0.48 0.00 0.00 55.95 55.73 1ddt s SER 414 Cb -0.00 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 66.35 1ddt s SER 414 CO 0.13 -0.66 -0.09 -0.83 0.98 0.00 0.00 173.24 172.77 1ddt s GLY 415 N -2.95 0.52 -0.10 7.32 0.00 -1.26 -1.57 107.32 109.28 1ddt s GLY 415 Ca 0.12 -0.67 -0.04 0.00 0.00 0.00 0.00 44.72 44.13 1ddt s GLY 415 CO -0.07 -0.69 0.20 0.30 0.00 0.00 0.00 173.10 172.85 1ddt s HIS 416 N -1.02 -0.27 -0.14 1.90 3.76 0.31 -4.87 115.29 114.95 1ddt s HIS 416 Ca -0.05 0.72 -0.04 0.00 -0.15 0.00 0.00 55.06 55.54 1ddt s HIS 416 Cb -0.08 -0.11 -0.03 0.00 1.11 0.00 0.00 32.58 33.47 1ddt s HIS 416 CO 0.01 -0.27 0.00 -0.51 -0.85 0.00 0.00 174.74 173.12 1ddt s ASP 417 N 1.92 5.18 -0.17 1.40 1.01 -1.26 -0.43 116.67 124.32 1ddt s ASP 417 Ca -0.02 0.02 0.01 0.00 0.71 0.00 0.00 52.55 53.27 1ddt s ASP 417 Cb -0.12 -1.75 0.02 0.00 1.01 0.00 0.00 42.92 42.08 1ddt s ASP 417 CO -0.07 0.23 -0.20 -0.63 0.21 0.00 0.00 175.17 174.71 1ddt s ILE 418 N -0.00 2.03 0.23 0.77 1.01 0.19 -0.63 121.20 124.80 1ddt s ILE 418 Ca 0.03 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.45 1ddt s ILE 418 Cb -0.13 -1.82 -0.09 0.00 0.01 0.00 0.00 42.46 40.43 1ddt s ILE 418 CO 0.02 0.54 1.03 -0.54 0.00 0.00 0.00 174.94 175.99 1ddt s LYS 419 N 1.17 4.72 -0.03 2.79 1.02 0.75 -0.90 119.74 129.26 1ddt s LYS 419 Ca 0.02 1.65 -0.01 0.00 0.02 0.00 0.00 55.97 57.64 1ddt s LYS 419 Cb -0.14 -3.25 0.02 0.00 -0.52 0.00 0.00 37.83 33.94 1ddt s LYS 419 CO -0.10 0.30 0.06 0.42 -0.92 0.00 0.00 175.35 175.11 1ddt s ILE 420 N -0.91 -0.04 0.38 2.17 1.01 -0.38 -1.94 121.20 121.50 1ddt s ILE 420 Ca 0.44 0.13 -0.16 0.00 0.00 0.00 0.00 60.65 61.07 1ddt s ILE 420 Cb -0.29 -0.11 0.05 0.00 0.01 0.00 0.00 42.46 42.12 1ddt s ILE 420 CO 0.36 0.05 0.78 0.28 0.00 0.00 0.00 174.94 176.41 1ddt s THR 421 N 0.73 0.00 0.03 2.92 -1.32 -0.98 -0.08 115.64 116.95 1ddt s THR 421 Ca -0.06 -1.01 -0.01 0.00 -1.21 0.00 0.00 61.69 59.40 1ddt s THR 421 Cb -0.08 -2.82 -0.03 0.00 -1.51 0.00 0.00 72.50 68.06 1ddt s THR 421 CO -0.03 0.00 -0.02 0.00 -2.21 0.00 0.00 174.62 172.36 1ddt s ALA 422 N -2.43 0.27 0.51 11.08 0.00 -1.26 -1.47 121.76 128.46 1ddt s ALA 422 Ca 0.15 -0.85 0.16 0.00 0.00 0.00 0.00 51.96 51.42 1ddt s ALA 422 Cb -0.05 0.21 1.23 0.00 0.00 0.00 0.00 23.12 24.51 1ddt s ALA 422 CO 0.11 -0.26 2.12 1.05 0.00 0.00 0.00 175.76 178.78 1ddt h GLU 423 N 3.95 0.07 0.00 0.00 4.11 -0.81 -2.95 114.58 118.95 1ddt h GLU 423 Ca -0.33 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 1ddt h GLU 423 Cb 1.18 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1ddt h GLU 423 CO 0.52 0.05 0.00 -1.71 0.07 0.00 0.00 179.01 177.94 1ddt n ASN 424 N -4.51 0.00 -4.79 3.06 2.85 -1.26 -4.17 115.26 106.44 1ddt n ASN 424 Ca -0.01 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.15 1ddt n ASN 424 Cb 0.15 0.00 0.06 0.00 1.24 0.00 0.00 39.78 41.23 1ddt n ASN 424 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1ddt s THR 425 N 0.32 3.57 -0.26 -0.44 -4.23 -1.26 -0.92 115.64 112.43 1ddt s THR 425 Ca 0.00 0.57 -0.28 0.00 -1.18 0.00 0.00 61.69 60.80 1ddt s THR 425 Cb 0.00 -3.14 -0.03 0.00 1.34 0.00 0.00 72.50 70.66 1ddt s THR 425 CO 0.00 -0.61 1.96 -2.16 -0.54 0.00 0.00 174.62 173.27 1ddt s PRO 426 N -4.71 3.33 -0.15 3.99 0.04 -1.26 -4.54 135.00 131.70 1ddt s PRO 426 Ca 0.61 1.75 -0.06 0.00 0.04 0.00 0.00 61.00 63.34 1ddt s PRO 426 Cb -0.17 -4.25 -0.04 0.00 0.04 0.00 0.00 34.50 30.08 1ddt s PRO 426 CO 0.51 -1.87 0.04 -0.51 0.04 0.00 0.00 177.00 175.21 1ddt s LEU 427 N 7.21 3.74 0.60 -3.56 1.43 -0.04 -4.87 118.68 123.20 1ddt s LEU 427 Ca 0.88 0.10 -0.13 0.00 -1.03 0.00 0.00 54.13 53.95 1ddt s LEU 427 Cb -0.28 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1ddt s LEU 427 CO 0.34 0.24 1.03 -2.16 0.23 0.00 0.00 176.35 176.03 1ddt s PRO 428 N -0.01 3.52 -0.25 1.29 0.04 -1.26 -0.64 135.00 137.70 1ddt s PRO 428 Ca 0.05 0.91 0.01 0.00 0.04 0.00 0.00 61.00 62.01 1ddt s PRO 428 Cb -0.12 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.39 1ddt s PRO 428 CO 0.01 -0.63 -0.09 0.42 0.04 0.00 0.00 177.00 176.75 1ddt s ILE 429 N -2.90 2.46 0.26 0.56 -1.09 -0.06 -3.65 121.20 116.78 1ddt s ILE 429 Ca 0.58 -1.35 0.06 0.00 -2.23 0.00 0.00 60.65 57.70 1ddt s ILE 429 Cb -0.12 -2.34 -0.01 0.00 -1.58 0.00 0.00 42.46 38.41 1ddt s ILE 429 CO 0.46 0.09 1.62 0.00 -1.23 0.00 0.00 174.94 175.88 1ddt h ALA 430 N 7.89 0.97 0.00 9.38 0.00 -1.02 -3.40 119.26 133.08 1ddt h ALA 430 Ca -0.26 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1ddt h ALA 430 Cb 1.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ddt h ALA 430 CO 0.52 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.86 1ddt n GLY 431 N 0.08 -0.51 3.30 0.00 0.00 -1.22 -4.38 105.19 102.45 1ddt n GLY 431 Ca -0.02 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 1ddt n GLY 431 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ddt s VAL 432 N -3.16 0.03 -0.25 1.61 0.11 0.10 -0.74 120.40 118.11 1ddt s VAL 432 Ca 0.00 -0.28 -0.08 0.00 -2.93 0.00 0.00 61.98 58.69 1ddt s VAL 432 Cb 0.00 -0.66 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1ddt s VAL 432 CO 0.00 -0.15 0.09 -0.76 -3.33 0.00 0.00 175.10 170.95 1ddt s LEU 433 N -0.89 3.58 0.02 2.54 1.43 0.16 -1.09 118.68 124.43 1ddt s LEU 433 Ca -0.10 -0.15 0.07 0.00 -1.03 0.00 0.00 54.13 52.93 1ddt s LEU 433 Cb -0.04 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1ddt s LEU 433 CO 0.04 -0.02 -0.22 -0.76 0.23 0.00 0.00 176.35 175.62 1ddt s LEU 434 N 1.55 2.12 0.38 1.79 1.43 -0.93 -1.47 118.68 123.55 1ddt s LEU 434 Ca 0.06 -0.49 -0.25 0.00 -1.03 0.00 0.00 54.13 52.42 1ddt s LEU 434 Cb -0.15 -1.08 -0.09 0.00 0.03 0.00 0.00 46.19 44.90 1ddt s LEU 434 CO 0.05 0.22 1.08 -2.16 0.23 0.00 0.00 176.35 175.76 1ddt s PRO 435 N -0.95 4.22 0.02 1.29 0.04 -1.26 -1.41 135.00 136.96 1ddt s PRO 435 Ca 0.09 1.62 0.01 0.00 0.04 0.00 0.00 61.00 62.76 1ddt s PRO 435 Cb -0.09 -2.68 -0.01 0.00 0.04 0.00 0.00 34.50 31.76 1ddt s PRO 435 CO 0.01 -0.11 -0.05 0.95 0.04 0.00 0.00 177.00 177.83 1ddt s THR 436 N -1.53 0.37 -0.10 1.26 -4.23 -0.29 -4.84 115.64 106.29 1ddt s THR 436 Ca 0.55 -0.61 -0.03 0.00 -1.18 0.00 0.00 61.69 60.43 1ddt s THR 436 Cb -0.25 -0.40 0.04 0.00 1.34 0.00 0.00 72.50 73.23 1ddt s THR 436 CO 0.32 -0.16 0.06 -0.63 -0.54 0.00 0.00 174.62 173.66 1ddt s ILE 437 N -0.75 0.05 0.27 2.99 1.01 -0.72 -4.60 121.20 119.44 1ddt s ILE 437 Ca -0.05 0.11 -0.31 0.00 0.00 0.00 0.00 60.65 60.40 1ddt s ILE 437 Cb -0.06 -0.42 -0.12 0.00 0.01 0.00 0.00 42.46 41.86 1ddt s ILE 437 CO -0.00 0.03 1.54 -2.65 0.00 0.00 0.00 174.94 173.86 1ddt n PRO 438 N 5.24 2.46 0.00 2.79 -0.02 -1.26 -0.91 135.00 143.30 1ddt n PRO 438 Ca -0.05 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1ddt n PRO 438 Cb 0.49 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1ddt n PRO 438 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ddt n GLY 439 N 2.29 1.61 0.11 -1.23 0.00 -1.26 -4.58 105.19 102.14 1ddt n GLY 439 Ca 0.10 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1ddt n GLY 439 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ddt h LYS 440 N 0.00 0.00 -0.20 1.61 1.57 -1.82 0.37 116.57 118.10 1ddt h LYS 440 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1ddt h LYS 440 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.17 1ddt h LYS 440 CO 0.00 0.00 -0.26 -0.11 -0.57 0.00 0.00 179.45 178.51 1ddt n LEU 441 N -2.44 -2.13 -4.91 2.94 7.94 -0.09 -4.73 117.00 113.59 1ddt n LEU 441 Ca 0.04 -2.21 -0.28 0.00 -1.11 0.00 0.00 56.01 52.45 1ddt n LEU 441 Cb 0.47 0.66 -0.03 0.00 0.53 0.00 0.00 43.42 45.06 1ddt n LEU 441 CO 0.35 1.67 0.20 -1.81 -1.11 0.00 0.00 177.39 176.69 1ddt s ASP 442 N -0.22 6.43 -0.21 1.96 1.01 0.38 -1.75 116.67 124.26 1ddt s ASP 442 Ca 0.28 0.69 -0.19 0.00 0.71 0.00 0.00 52.55 54.03 1ddt s ASP 442 Cb 0.16 -2.13 -0.03 0.00 1.01 0.00 0.00 42.92 41.93 1ddt s ASP 442 CO -0.13 -0.21 0.56 -0.69 0.21 0.00 0.00 175.17 174.91 1ddt s VAL 443 N -2.12 5.07 -0.67 -1.27 1.01 -1.26 0.59 120.40 121.75 1ddt s VAL 443 Ca 0.44 1.03 -0.25 0.00 0.00 0.00 0.00 61.98 63.19 1ddt s VAL 443 Cb -0.11 -3.88 0.05 0.00 0.00 0.00 0.00 36.38 32.44 1ddt s VAL 443 CO 0.31 0.13 1.12 0.21 0.00 0.00 0.00 175.10 176.87 1ddt s ASN 444 N 1.24 6.21 0.00 3.32 3.84 -0.47 -4.84 114.94 124.24 1ddt s ASN 444 Ca 0.25 -0.58 0.14 0.00 0.21 0.00 0.00 52.86 52.89 1ddt s ASN 444 Cb -0.16 -2.49 0.68 0.00 -0.55 0.00 0.00 41.25 38.73 1ddt s ASN 444 CO 0.10 -1.59 1.42 0.29 -2.79 0.00 0.00 177.10 174.53 1ddt n LYS 445 N 8.45 0.12 0.07 0.43 5.02 -1.26 -2.07 118.16 128.92 1ddt n LYS 445 Ca 0.01 0.19 -0.21 0.00 -2.02 0.00 0.00 58.31 56.28 1ddt n LYS 445 Cb 0.48 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.84 1ddt n LYS 445 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1ddt h SER 446 N 0.00 0.55 0.84 4.39 0.02 -1.94 -3.39 113.55 114.02 1ddt h SER 446 Ca 0.00 -0.84 0.00 0.00 -0.84 0.00 0.00 61.79 60.11 1ddt h SER 446 Cb 0.18 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ddt h SER 446 CO 0.00 1.71 -0.83 0.11 -1.14 0.00 0.00 176.83 176.68 1ddt h LYS 447 N 0.10 0.00 -6.39 3.45 1.57 -1.87 -3.46 116.57 109.97 1ddt h LYS 447 Ca -0.33 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.92 1ddt h LYS 447 Cb 2.08 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.36 1ddt h LYS 447 CO 0.17 0.00 0.19 0.99 -0.57 0.00 0.00 179.45 180.23 1ddt s THR 448 N -3.24 4.61 0.20 -0.16 2.01 -0.88 -4.61 115.64 113.56 1ddt s THR 448 Ca 0.03 1.71 -0.22 0.00 0.31 0.00 0.00 61.69 63.52 1ddt s THR 448 Cb 0.12 -4.15 0.07 0.00 0.01 0.00 0.00 72.50 68.56 1ddt s THR 448 CO 0.76 0.40 1.00 -1.38 -0.69 0.00 0.00 174.62 174.71 1ddt s HIS 449 N -0.33 0.05 -0.06 4.92 -3.43 -0.04 -4.25 115.29 112.15 1ddt s HIS 449 Ca 0.39 -0.47 0.02 0.00 -0.80 0.00 0.00 55.06 54.20 1ddt s HIS 449 Cb -0.22 0.71 0.02 0.00 -1.43 0.00 0.00 32.58 31.66 1ddt s HIS 449 CO 0.25 -0.98 -0.10 -1.50 -2.00 0.00 0.00 174.74 170.41 1ddt s ILE 450 N -2.34 0.97 -0.29 -5.38 2.07 0.91 -1.21 121.20 115.93 1ddt s ILE 450 Ca 0.20 -0.38 -0.10 0.00 -1.41 0.00 0.00 60.65 58.96 1ddt s ILE 450 Cb -0.03 -0.91 -0.03 0.00 0.13 0.00 0.00 42.46 41.63 1ddt s ILE 450 CO 0.06 0.32 0.16 -0.55 -1.91 0.00 0.00 174.94 173.01 1ddt s SER 451 N 0.76 5.65 -0.38 4.50 0.15 0.05 -0.44 113.70 124.00 1ddt s SER 451 Ca -0.13 -0.29 -0.06 0.00 0.70 0.00 0.00 55.95 56.17 1ddt s SER 451 Cb -0.15 -2.04 0.07 0.00 -1.71 0.00 0.00 66.02 62.19 1ddt s SER 451 CO 0.02 -0.12 0.17 -0.69 1.20 0.00 0.00 173.24 173.82 1ddt s VAL 452 N 1.67 3.76 -1.41 4.45 1.01 0.79 -0.82 120.40 129.86 1ddt s VAL 452 Ca 0.06 -1.44 -0.07 0.00 0.00 0.00 0.00 61.98 60.53 1ddt s VAL 452 Cb -0.16 -3.28 0.04 0.00 0.00 0.00 0.00 36.38 32.98 1ddt s VAL 452 CO 0.08 -0.39 0.56 0.59 0.00 0.00 0.00 175.10 175.94 1ddt n ASN 453 N 4.79 -4.82 0.00 3.32 4.13 -0.50 -1.20 115.26 120.98 1ddt n ASN 453 Ca -0.10 -0.35 0.00 0.00 1.68 0.00 0.00 54.58 55.81 1ddt n ASN 453 Cb 0.43 -3.93 0.00 0.00 -1.54 0.00 0.00 39.78 34.74 1ddt n ASN 453 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ddt n GLY 454 N -1.35 1.83 3.63 7.41 0.00 -1.26 -5.03 105.19 110.42 1ddt n GLY 454 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1ddt n GLY 454 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ddt s ARG 455 N -0.62 3.90 -0.20 1.61 3.52 -0.34 -5.00 118.95 121.82 1ddt s ARG 455 Ca 0.00 1.25 -0.23 0.00 -0.13 0.00 0.00 55.73 56.62 1ddt s ARG 455 Cb 0.00 -3.89 -0.02 0.00 -1.56 0.00 0.00 34.95 29.48 1ddt s ARG 455 CO 0.00 -1.14 0.75 0.21 -0.81 0.00 0.00 175.30 174.30 1ddt s LYS 456 N 4.22 4.22 -0.15 5.12 2.20 -1.26 -0.15 119.74 133.94 1ddt s LYS 456 Ca 0.57 0.82 0.01 0.00 -0.36 0.00 0.00 55.97 57.02 1ddt s LYS 456 Cb -0.17 -3.60 0.02 0.00 -1.51 0.00 0.00 37.83 32.57 1ddt s LYS 456 CO 0.24 -0.36 -0.19 0.42 -0.36 0.00 0.00 175.35 175.10 1ddt s ILE 457 N 2.28 1.88 0.79 5.43 1.01 0.42 -4.98 121.20 128.03 1ddt s ILE 457 Ca 0.33 -0.85 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 1ddt s ILE 457 Cb -0.16 -1.69 0.07 0.00 0.01 0.00 0.00 42.46 40.69 1ddt s ILE 457 CO 0.10 0.51 1.16 -0.13 0.00 0.00 0.00 174.94 176.58 1ddt s ARG 458 N 1.12 2.07 0.30 2.79 1.81 -1.26 -0.07 118.95 125.71 1ddt s ARG 458 Ca -0.01 0.13 0.07 0.00 -1.72 0.00 0.00 55.73 54.21 1ddt s ARG 458 Cb -0.14 -1.97 -0.06 0.00 -0.45 0.00 0.00 34.95 32.33 1ddt s ARG 458 CO -0.07 -1.52 -0.07 -1.64 -0.68 0.00 0.00 175.30 171.32 1ddt s MET 459 N -5.54 1.62 -0.16 3.54 -1.94 -1.26 -0.28 119.30 115.28 1ddt s MET 459 Ca 0.61 -1.83 0.00 0.00 -1.71 0.00 0.00 55.69 52.77 1ddt s MET 459 Cb -0.11 -1.30 0.03 0.00 2.01 0.00 0.00 34.83 35.45 1ddt s MET 459 CO 0.49 0.07 -0.14 1.03 -0.01 0.00 0.00 175.02 176.46 1ddt s ARG 460 N -3.70 2.30 0.10 2.03 0.52 -0.60 -4.86 118.95 114.74 1ddt s ARG 460 Ca 0.30 -0.62 0.07 0.00 -0.52 0.00 0.00 55.73 54.96 1ddt s ARG 460 Cb 0.03 -2.18 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 1ddt s ARG 460 CO 0.13 -0.27 -0.10 0.00 0.02 0.00 0.00 175.30 175.09 1ddt s ARG 462 N -2.17 0.75 0.86 0.00 1.70 0.22 -4.86 118.95 115.44 1ddt s ARG 462 Ca 0.21 -0.48 -0.11 0.00 -0.47 0.00 0.00 55.73 54.88 1ddt s ARG 462 Cb -0.11 -0.71 0.11 0.00 -0.57 0.00 0.00 34.95 33.67 1ddt s ARG 462 CO 0.14 0.18 1.16 0.00 -1.08 0.00 0.00 175.30 175.70 1ddt s ALA 463 N -0.51 1.70 0.28 7.88 0.00 -1.26 0.17 121.76 130.01 1ddt s ALA 463 Ca 0.01 0.65 -0.02 0.00 0.00 0.00 0.00 51.96 52.60 1ddt s ALA 463 Cb -0.05 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.63 1ddt s ALA 463 CO 0.00 -2.47 0.40 -0.89 0.00 0.00 0.00 175.76 172.80 1ddt n ILE 464 N -3.79 0.00 -4.15 0.00 2.08 -0.02 -4.67 119.36 108.81 1ddt n ILE 464 Ca 0.12 -1.35 -0.30 0.00 0.56 0.00 0.00 62.75 61.79 1ddt n ILE 464 Cb 0.52 0.85 -0.08 0.00 -0.75 0.00 0.00 39.64 40.18 1ddt n ILE 464 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 1ddt s ASP 465 N -2.70 4.90 0.00 4.38 1.01 -1.26 -4.25 116.67 118.76 1ddt s ASP 465 Ca 0.22 -0.22 0.00 0.00 0.71 0.00 0.00 52.55 53.26 1ddt s ASP 465 Cb -0.01 -1.13 0.00 0.00 1.01 0.00 0.00 42.92 42.79 1ddt s ASP 465 CO 0.16 0.17 0.00 0.61 0.21 0.00 0.00 175.17 176.32 1ddt n GLY 466 N 0.59 1.19 3.33 0.21 0.00 -1.26 -4.45 105.19 104.80 1ddt n GLY 466 Ca -0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 1ddt n GLY 466 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ddt n ASP 467 N 0.00 -6.41 -3.89 1.61 9.92 -1.26 -4.14 116.55 112.38 1ddt n ASP 467 Ca 0.00 -0.77 -0.19 0.00 -0.53 0.00 0.00 54.79 53.30 1ddt n ASP 467 Cb 0.00 -4.86 -0.16 0.00 -0.64 0.00 0.00 41.12 35.46 1ddt n ASP 467 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ddt s VAL 468 N -3.40 0.50 -0.01 2.53 1.01 -1.26 -1.14 120.40 118.62 1ddt s VAL 468 Ca 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1ddt s VAL 468 Cb -0.08 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1ddt s VAL 468 CO 0.76 0.21 0.04 0.28 0.00 0.00 0.00 175.10 176.40 1ddt s THR 469 N 0.89 4.44 -0.21 3.92 -1.32 -0.50 -0.84 115.64 122.03 1ddt s THR 469 Ca -0.12 -0.48 -0.02 0.00 -1.21 0.00 0.00 61.69 59.86 1ddt s THR 469 Cb -0.14 -3.00 0.00 0.00 -1.51 0.00 0.00 72.50 67.85 1ddt s THR 469 CO 0.00 0.39 -0.09 0.12 -2.21 0.00 0.00 174.62 172.82 1ddt s PHE 470 N -1.12 2.90 -0.15 9.09 5.36 0.45 -2.19 117.98 132.33 1ddt s PHE 470 Ca 0.20 -1.17 -0.03 0.00 -0.96 0.00 0.00 56.93 54.97 1ddt s PHE 470 Cb -0.12 -2.05 -0.03 0.00 -0.34 0.00 0.00 43.02 40.49 1ddt s PHE 470 CO 0.11 -0.63 -0.04 0.00 -1.46 0.00 0.00 175.22 173.19 1ddt s ARG 472 N 0.32 2.08 0.27 0.00 0.52 -0.36 0.01 118.95 121.79 1ddt s ARG 472 Ca -0.04 -0.98 -0.30 0.00 -0.52 0.00 0.00 55.73 53.89 1ddt s ARG 472 Cb -0.14 -2.19 -0.10 0.00 0.52 0.00 0.00 34.95 33.03 1ddt s ARG 472 CO 0.03 0.54 1.40 -1.25 0.02 0.00 0.00 175.30 176.04 1ddt s PRO 473 N -1.45 4.29 0.18 3.54 0.04 -1.26 -1.56 135.00 138.78 1ddt s PRO 473 Ca 0.15 2.27 -0.13 0.00 0.04 0.00 0.00 61.00 63.33 1ddt s PRO 473 Cb -0.10 -3.10 0.16 0.00 0.04 0.00 0.00 34.50 31.49 1ddt s PRO 473 CO 0.05 -0.36 1.76 -0.22 0.04 0.00 0.00 177.00 178.27 1ddt h LYS 474 N 4.65 0.38 -6.05 4.56 1.63 -0.97 -3.43 116.57 117.34 1ddt h LYS 474 Ca -0.47 -0.02 -0.57 0.00 -0.85 0.00 0.00 60.65 58.74 1ddt h LYS 474 Cb 1.22 -0.09 -0.09 0.00 -0.60 0.00 0.00 32.23 32.67 1ddt h LYS 474 CO 0.75 0.25 -0.58 -1.54 -3.45 0.00 0.00 179.45 174.87 1ddt s SER 475 N -5.42 4.40 0.09 4.20 1.04 -1.26 -5.08 113.70 111.68 1ddt s SER 475 Ca -0.13 -0.89 -0.32 0.00 0.48 0.00 0.00 55.95 55.09 1ddt s SER 475 Cb 0.14 -0.62 -0.11 0.00 0.10 0.00 0.00 66.02 65.52 1ddt s SER 475 CO 0.73 -0.26 1.80 -2.65 0.98 0.00 0.00 173.24 173.84 1ddt n PRO 476 N -1.03 2.58 -3.72 4.02 -0.02 -1.26 -4.99 135.00 130.58 1ddt n PRO 476 Ca -0.04 0.94 -0.37 0.00 -2.02 0.00 0.00 63.50 62.01 1ddt n PRO 476 Cb 0.62 -2.80 -0.11 0.00 -0.02 0.00 0.00 33.50 31.18 1ddt n PRO 476 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ddt s VAL 477 N 2.64 4.81 -0.01 -1.45 1.01 -1.26 -5.07 120.40 121.07 1ddt s VAL 477 Ca 0.83 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.86 1ddt s VAL 477 Cb -0.55 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1ddt s VAL 477 CO 0.40 0.32 -0.17 -0.31 0.00 0.00 0.00 175.10 175.34 1ddt s TYR 478 N 1.50 1.53 0.22 5.22 2.02 -1.26 -0.88 117.35 125.70 1ddt s TYR 478 Ca 0.06 -0.30 0.06 0.00 -0.37 0.00 0.00 57.07 56.52 1ddt s TYR 478 Cb -0.15 -0.97 -0.05 0.00 -0.40 0.00 0.00 41.96 40.38 1ddt s TYR 478 CO 0.06 -0.01 -0.09 0.14 -1.57 0.00 0.00 175.55 174.08 1ddt s VAL 479 N -0.46 1.48 -2.98 0.71 -7.23 0.19 -4.84 120.40 107.28 1ddt s VAL 479 Ca 0.06 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.11 1ddt s VAL 479 Cb -0.07 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.69 1ddt s VAL 479 CO -0.00 -0.48 0.00 0.61 -0.31 0.00 0.00 175.10 174.91 1ddt n GLY 480 N -0.42 -1.10 3.61 2.32 0.00 -0.53 -0.86 105.19 108.22 1ddt n GLY 480 Ca -0.07 -1.01 -0.45 0.00 0.00 0.00 0.00 46.02 44.48 1ddt n GLY 480 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ddt n ASN 481 N 1.28 3.32 0.00 1.61 2.85 -0.09 -1.20 115.26 123.03 1ddt n ASN 481 Ca 0.00 0.57 0.00 0.00 -0.11 0.00 0.00 54.58 55.04 1ddt n ASN 481 Cb 0.00 -1.46 0.00 0.00 1.24 0.00 0.00 39.78 39.56 1ddt n ASN 481 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ddt n GLY 482 N 5.31 0.84 2.81 8.20 0.00 -1.26 -4.99 105.19 116.10 1ddt n GLY 482 Ca 0.28 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.02 1ddt n GLY 482 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ddt s VAL 483 N -2.41 0.84 0.17 1.61 1.01 -0.34 -5.01 120.40 116.26 1ddt s VAL 483 Ca 0.00 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.40 1ddt s VAL 483 Cb 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1ddt s VAL 483 CO 0.00 -0.07 -0.15 -1.38 0.00 0.00 0.00 175.10 173.51 1ddt s HIS 484 N 1.73 1.59 0.11 5.22 -3.43 -1.26 -1.45 115.29 117.79 1ddt s HIS 484 Ca -0.01 -0.57 0.06 0.00 -0.80 0.00 0.00 55.06 53.74 1ddt s HIS 484 Cb -0.17 -0.78 -0.04 0.00 -1.43 0.00 0.00 32.58 30.17 1ddt s HIS 484 CO -0.07 0.26 -0.14 0.00 -2.00 0.00 0.00 174.74 172.78 1ddt s ALA 485 N -2.61 1.42 -0.17 -1.38 0.00 0.89 -1.41 121.76 118.50 1ddt s ALA 485 Ca 0.17 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1ddt s ALA 485 Cb -0.02 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.03 1ddt s ALA 485 CO 0.05 0.13 -0.19 1.21 0.00 0.00 0.00 175.76 176.95 1ddt s ASN 486 N -2.25 3.04 -0.31 0.00 2.47 0.00 -1.25 114.94 116.65 1ddt s ASN 486 Ca 0.06 -0.61 -0.15 0.00 0.42 0.00 0.00 52.86 52.58 1ddt s ASN 486 Cb -0.06 -1.42 -0.02 0.00 -1.45 0.00 0.00 41.25 38.29 1ddt s ASN 486 CO 0.03 0.01 0.36 -0.22 -3.72 0.00 0.00 177.10 173.56 1ddt s LEU 487 N 1.21 4.27 -0.29 3.21 2.96 -0.07 -0.77 118.68 129.20 1ddt s LEU 487 Ca 0.02 -0.03 -0.06 0.00 -0.22 0.00 0.00 54.13 53.84 1ddt s LEU 487 Cb -0.14 -2.36 0.01 0.00 0.50 0.00 0.00 46.19 44.21 1ddt s LEU 487 CO -0.10 -0.27 0.06 -2.28 -1.32 0.00 0.00 176.35 172.43 1ddt s HIS 488 N 2.04 3.15 -0.24 5.38 5.65 -0.35 -0.63 115.29 130.28 1ddt s HIS 488 Ca 0.13 -1.12 -0.10 0.00 0.25 0.00 0.00 55.06 54.22 1ddt s HIS 488 Cb -0.16 -2.22 -0.05 0.00 -1.18 0.00 0.00 32.58 28.97 1ddt s HIS 488 CO 0.11 -0.62 0.14 0.08 -0.65 0.00 0.00 174.74 173.81 1ddt s VAL 489 N 1.46 5.13 -0.24 0.89 1.01 0.43 -0.86 120.40 128.22 1ddt s VAL 489 Ca 0.02 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 1ddt s VAL 489 Cb -0.17 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1ddt s VAL 489 CO 0.01 0.34 0.01 0.00 0.00 0.00 0.00 175.10 175.46 1ddt s ALA 490 N 1.20 2.99 -0.06 5.51 0.00 -1.26 -0.53 121.76 129.61 1ddt s ALA 490 Ca 0.07 -1.15 -0.03 0.00 0.00 0.00 0.00 51.96 50.84 1ddt s ALA 490 Cb -0.14 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 1ddt s ALA 490 CO 0.05 -0.46 0.10 -0.06 0.00 0.00 0.00 175.76 175.39 1ddt s PHE 491 N 1.55 3.41 -0.05 0.00 0.08 -0.61 -1.37 117.98 120.99 1ddt s PHE 491 Ca 0.06 0.34 0.05 0.00 0.12 0.00 0.00 56.93 57.50 1ddt s PHE 491 Cb -0.15 -1.83 -0.01 0.00 -0.57 0.00 0.00 43.02 40.46 1ddt s PHE 491 CO 0.00 0.61 -0.21 -1.58 -0.10 0.00 0.00 175.22 173.94 1ddt s HIS 492 N -1.10 2.09 -0.25 0.36 5.65 0.20 -1.88 115.29 120.35 1ddt s HIS 492 Ca 0.19 -0.59 -0.01 0.00 0.25 0.00 0.00 55.06 54.90 1ddt s HIS 492 Cb -0.12 -1.38 0.03 0.00 -1.18 0.00 0.00 32.58 29.93 1ddt s HIS 492 CO 0.09 -0.18 -0.07 1.03 -0.65 0.00 0.00 174.74 174.96 1ddt s ARG 493 N -0.11 2.71 0.00 2.88 0.52 0.11 -0.47 118.95 124.59 1ddt s ARG 493 Ca -0.03 -1.06 0.26 0.00 -0.52 0.00 0.00 55.73 54.38 1ddt s ARG 493 Cb -0.12 -2.97 0.63 0.00 0.52 0.00 0.00 34.95 33.01 1ddt s ARG 493 CO 0.03 -0.44 1.49 -1.13 0.02 0.00 0.00 175.30 175.27 1ddt n SER 494 N 4.63 0.87 -4.35 0.23 3.41 0.12 -1.23 113.62 117.29 1ddt n SER 494 Ca -0.16 -0.69 -0.27 0.00 -0.26 0.00 0.00 58.87 57.49 1ddt n SER 494 Cb 0.46 0.20 -0.13 0.00 -0.26 0.00 0.00 64.21 64.48 1ddt n SER 494 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ddt s SER 495 N -2.68 3.04 0.00 4.04 0.15 -0.86 -4.95 113.70 112.44 1ddt s SER 495 Ca 0.19 -0.73 0.23 0.00 0.70 0.00 0.00 55.95 56.34 1ddt s SER 495 Cb 0.19 -0.19 0.25 0.00 -1.71 0.00 0.00 66.02 64.56 1ddt s SER 495 CO 0.59 0.13 1.27 -1.54 1.20 0.00 0.00 173.24 174.89 1ddt n SER 496 N 0.94 3.06 -4.74 5.45 3.41 -1.26 -4.07 113.62 116.41 1ddt n SER 496 Ca -0.18 -1.96 -0.41 0.00 -0.26 0.00 0.00 58.87 56.06 1ddt n SER 496 Cb 0.53 -0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 1ddt n SER 496 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ddt s GLU 497 N -1.75 4.57 0.30 4.33 0.41 -1.26 -3.25 118.70 122.06 1ddt s GLU 497 Ca 0.30 1.77 -0.29 0.00 -0.41 0.00 0.00 54.97 56.34 1ddt s GLU 497 Cb 0.20 -3.26 -0.10 0.00 -1.78 0.00 0.00 34.13 29.19 1ddt s GLU 497 CO 0.29 0.04 1.26 0.15 -0.49 0.00 0.00 175.26 176.51 1ddt s LYS 498 N -0.46 4.43 0.31 1.61 1.02 -1.26 -4.19 119.74 121.19 1ddt s LYS 498 Ca 0.50 2.10 -0.29 0.00 0.02 0.00 0.00 55.97 58.29 1ddt s LYS 498 Cb -0.31 -3.12 -0.11 0.00 -0.52 0.00 0.00 37.83 33.78 1ddt s LYS 498 CO 0.36 -0.10 1.50 0.42 -0.92 0.00 0.00 175.35 176.61 1ddt s ILE 499 N -0.97 2.26 -0.00 2.17 1.01 -1.26 -4.96 121.20 119.45 1ddt s ILE 499 Ca 0.49 0.23 0.04 0.00 0.00 0.00 0.00 60.65 61.41 1ddt s ILE 499 Cb -0.37 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 1ddt s ILE 499 CO 0.48 0.04 -0.09 -2.28 0.00 0.00 0.00 174.94 173.09 1ddt s HIS 500 N -0.43 2.82 0.54 3.97 5.65 -1.26 -5.02 115.29 121.57 1ddt s HIS 500 Ca 0.58 -0.08 0.37 0.00 0.25 0.00 0.00 55.06 56.18 1ddt s HIS 500 Cb -0.45 -1.60 1.55 0.00 -1.18 0.00 0.00 32.58 30.91 1ddt s HIS 500 CO 0.52 0.33 1.79 0.66 -0.65 0.00 0.00 174.74 177.39 1ddt h SER 501 N 4.65 0.01 -0.50 9.88 4.64 -1.94 0.19 113.55 130.49 1ddt h SER 501 Ca -0.48 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.77 1ddt h SER 501 Cb 1.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 1ddt h SER 501 CO 0.52 0.00 0.04 0.78 -0.87 0.00 0.00 176.83 177.31 1ddt h ASN 502 N 0.01 0.87 1.32 4.97 2.35 -2.02 -3.15 115.58 119.94 1ddt h ASN 502 Ca 0.59 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 1ddt h ASN 502 Cb 2.34 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 40.48 1ddt h ASN 502 CO -0.02 0.91 0.00 -0.33 -1.65 0.00 0.00 177.43 176.34 1ddt h GLU 503 N 0.85 0.00 -4.95 0.81 5.08 -1.02 -3.42 114.58 111.92 1ddt h GLU 503 Ca 0.17 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.87 1ddt h GLU 503 Cb 0.44 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.44 1ddt h GLU 503 CO 0.02 0.00 -0.67 -1.50 -1.00 0.00 0.00 179.01 175.85 1ddt s ILE 504 N -3.41 3.80 0.01 3.13 1.10 -1.19 -4.87 121.20 119.76 1ddt s ILE 504 Ca 0.05 -0.41 0.11 0.00 -0.51 0.00 0.00 60.65 59.89 1ddt s ILE 504 Cb 0.08 -2.78 -0.19 0.00 0.15 0.00 0.00 42.46 39.72 1ddt s ILE 504 CO 0.56 0.34 0.99 0.28 -2.11 0.00 0.00 174.94 175.01 1ddt h SER 505 N 8.17 0.00 -3.00 4.50 0.02 -1.83 -3.48 113.55 117.93 1ddt h SER 505 Ca -0.39 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 59.95 1ddt h SER 505 Cb 1.16 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.60 1ddt h SER 505 CO 0.59 0.92 -0.63 -0.94 -1.14 0.00 0.00 176.83 175.63 1ddt s SER 506 N -6.34 5.07 -0.07 3.07 1.04 -1.26 -5.03 113.70 110.18 1ddt s SER 506 Ca -0.01 -0.24 0.11 0.00 0.48 0.00 0.00 55.95 56.28 1ddt s SER 506 Cb 0.09 -1.20 0.20 0.00 0.10 0.00 0.00 66.02 65.21 1ddt s SER 506 CO 0.82 0.12 1.12 -0.90 0.98 0.00 0.00 173.24 175.37 1ddt n ASP 507 N 0.07 2.39 -3.87 7.02 5.75 -1.26 -5.04 116.55 121.60 1ddt n ASP 507 Ca -0.10 -2.58 -0.10 0.00 -0.01 0.00 0.00 54.79 52.01 1ddt n ASP 507 Cb 0.54 -0.26 -0.08 0.00 -1.03 0.00 0.00 41.12 40.29 1ddt n ASP 507 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1ddt s SER 508 N -1.93 0.11 -0.00 -1.12 1.04 -1.26 -0.63 113.70 109.91 1ddt s SER 508 Ca 0.20 -0.52 -0.15 0.00 0.48 0.00 0.00 55.95 55.95 1ddt s SER 508 Cb 0.16 0.29 -0.06 0.00 0.10 0.00 0.00 66.02 66.52 1ddt s SER 508 CO 0.03 -0.61 0.43 -0.63 0.98 0.00 0.00 173.24 173.44 1ddt s ILE 509 N -3.07 5.01 -0.33 -1.02 1.01 0.31 -4.73 121.20 118.37 1ddt s ILE 509 Ca -0.01 0.89 -0.08 0.00 0.00 0.00 0.00 60.65 61.44 1ddt s ILE 509 Cb 0.01 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.76 1ddt s ILE 509 CO -0.07 0.55 0.13 -0.83 0.00 0.00 0.00 174.94 174.73 1ddt s GLY 510 N -0.93 1.85 -0.02 6.18 0.00 -0.54 -0.66 107.32 113.21 1ddt s GLY 510 Ca 0.24 -1.59 -0.20 0.00 0.00 0.00 0.00 44.72 43.18 1ddt s GLY 510 CO 0.14 0.74 0.56 0.14 0.00 0.00 0.00 173.10 174.68 1ddt s VAL 511 N 1.51 4.95 -0.21 1.40 1.01 0.58 -0.67 120.40 128.97 1ddt s VAL 511 Ca 0.02 1.17 -0.06 0.00 0.00 0.00 0.00 61.98 63.10 1ddt s VAL 511 Cb -0.18 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1ddt s VAL 511 CO 0.04 0.42 0.04 -0.76 0.00 0.00 0.00 175.10 174.85 1ddt s LEU 512 N -0.19 3.47 0.00 3.92 1.02 0.08 -1.58 118.68 125.41 1ddt s LEU 512 Ca 0.30 -0.12 0.00 0.00 0.02 0.00 0.00 54.13 54.32 1ddt s LEU 512 Cb -0.18 -1.90 0.00 0.00 0.02 0.00 0.00 46.19 44.14 1ddt s LEU 512 CO 0.16 0.06 0.00 0.61 0.02 0.00 0.00 176.35 177.20 1ddt n GLY 513 N 4.27 0.37 3.72 -3.19 0.00 0.27 -0.65 105.19 109.98 1ddt n GLY 513 Ca -0.17 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 1ddt n GLY 513 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ddt s TYR 514 N 0.51 2.17 -0.14 1.61 -0.85 -1.24 -3.97 117.35 115.44 1ddt s TYR 514 Ca 0.00 1.57 -0.07 0.00 -0.52 0.00 0.00 57.07 58.05 1ddt s TYR 514 Cb 0.00 -3.16 -0.04 0.00 0.38 0.00 0.00 41.96 39.14 1ddt s TYR 514 CO 0.00 -2.32 0.11 -1.14 -1.52 0.00 0.00 175.55 170.68 1ddt s GLN 515 N -4.81 3.57 -0.04 -3.49 0.74 -1.26 -0.42 119.66 113.95 1ddt s GLN 515 Ca 0.64 -0.21 0.05 0.00 0.05 0.00 0.00 55.36 55.88 1ddt s GLN 515 Cb -0.19 -3.18 -0.01 0.00 1.10 0.00 0.00 33.01 30.73 1ddt s GLN 515 CO 0.57 0.62 -0.18 -1.59 -0.55 0.00 0.00 175.29 174.17 1ddt s LYS 516 N -0.60 1.77 -0.57 1.67 -2.85 0.92 -4.96 119.74 115.13 1ddt s LYS 516 Ca 0.12 -0.64 -0.04 0.00 -1.00 0.00 0.00 55.97 54.42 1ddt s LYS 516 Cb -0.12 -1.57 0.11 0.00 -2.06 0.00 0.00 37.83 34.20 1ddt s LYS 516 CO 0.02 0.29 2.62 0.25 0.10 0.00 0.00 175.35 178.63 1ddt n THR 517 N 3.02 3.50 -2.05 3.79 -2.24 -1.26 0.15 114.28 119.18 1ddt n THR 517 Ca -0.17 -3.31 -0.42 0.00 -2.27 0.00 0.00 64.05 57.87 1ddt n THR 517 Cb 0.53 -1.56 -0.03 0.00 -2.10 0.00 0.00 70.33 67.17 1ddt n THR 517 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ddt s VAL 518 N -2.68 3.48 0.00 2.28 1.01 -1.20 -0.84 120.40 122.45 1ddt s VAL 518 Ca 0.57 0.77 0.00 0.00 0.00 0.00 0.00 61.98 63.33 1ddt s VAL 518 Cb 0.38 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1ddt s VAL 518 CO -0.25 -0.03 0.00 0.47 0.00 0.00 0.00 175.10 175.29 1ddt n ASP 519 N 6.23 -1.37 -1.13 3.32 9.92 -1.26 -3.22 116.55 129.04 1ddt n ASP 519 Ca 0.16 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.27 1ddt n ASP 519 Cb 0.42 -0.23 -0.06 0.00 -0.64 0.00 0.00 41.12 40.61 1ddt n ASP 519 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1ddt n HIS 520 N -2.46 0.00 -3.95 1.24 8.25 -0.02 -4.93 115.22 113.35 1ddt n HIS 520 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 1ddt n HIS 520 Cb 0.00 -2.67 -0.15 0.00 1.12 0.00 0.00 29.99 28.29 1ddt n HIS 520 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1ddt s THR 521 N -2.50 1.69 -0.16 1.59 2.01 -1.20 -5.05 115.64 112.02 1ddt s THR 521 Ca 0.00 -1.54 -0.39 0.00 0.31 0.00 0.00 61.69 60.07 1ddt s THR 521 Cb 0.00 -2.03 -0.16 0.00 0.01 0.00 0.00 72.50 70.32 1ddt s THR 521 CO 0.00 -0.28 1.65 0.29 -0.69 0.00 0.00 174.62 175.59 1ddt n LYS 522 N 4.57 1.26 -4.23 4.92 5.02 -1.26 -3.24 118.16 125.19 1ddt n LYS 522 Ca -0.07 0.46 -0.17 0.00 -2.02 0.00 0.00 58.31 56.50 1ddt n LYS 522 Cb 0.43 -2.15 -0.15 0.00 -0.02 0.00 0.00 35.03 33.15 1ddt n LYS 522 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ddt s VAL 523 N 2.72 0.52 0.19 -0.18 0.11 0.39 -4.95 120.40 119.20 1ddt s VAL 523 Ca 0.94 -0.27 -0.07 0.00 -2.93 0.00 0.00 61.98 59.65 1ddt s VAL 523 Cb -1.00 -0.45 -0.06 0.00 -1.53 0.00 0.00 36.38 33.34 1ddt s VAL 523 CO 0.59 0.15 0.46 0.20 -3.33 0.00 0.00 175.10 173.17 1ddt s ASN 524 N -0.10 6.55 0.07 3.54 0.01 -1.26 -0.05 114.94 123.70 1ddt s ASN 524 Ca 0.02 0.74 -0.31 0.00 -0.71 0.00 0.00 52.86 52.60 1ddt s ASN 524 Cb -0.03 -2.15 -0.08 0.00 0.41 0.00 0.00 41.25 39.40 1ddt s ASN 524 CO -0.00 -0.02 1.53 -0.55 -1.51 0.00 0.00 177.10 176.55 1ddt s SER 525 N -2.44 6.71 -0.19 -1.22 0.15 0.44 -4.80 113.70 112.35 1ddt s SER 525 Ca 0.44 2.38 -0.06 0.00 0.70 0.00 0.00 55.95 59.41 1ddt s SER 525 Cb -0.12 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.59 1ddt s SER 525 CO 0.23 -0.79 0.02 -0.75 1.20 0.00 0.00 173.24 173.15 1ddt s LYS 526 N 2.08 3.77 -0.15 5.44 2.47 -1.26 0.97 119.74 133.06 1ddt s LYS 526 Ca 0.69 -0.45 0.01 0.00 -1.56 0.00 0.00 55.97 54.66 1ddt s LYS 526 Cb -0.38 -3.12 0.02 0.00 -1.46 0.00 0.00 37.83 32.89 1ddt s LYS 526 CO 0.30 0.14 -0.17 -0.51 0.16 0.00 0.00 175.35 175.27 1ddt s LEU 527 N 0.69 1.87 -0.08 5.43 1.43 -0.61 -4.98 118.68 122.43 1ddt s LEU 527 Ca 0.01 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1ddt s LEU 527 Cb -0.14 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 1ddt s LEU 527 CO 0.02 -0.01 -0.07 -0.44 0.23 0.00 0.00 176.35 176.08 1ddt s SER 528 N 1.23 4.60 -0.24 2.29 0.01 -1.26 -0.31 113.70 120.02 1ddt s SER 528 Ca 0.01 -0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.23 1ddt s SER 528 Cb -0.14 -1.25 0.05 0.00 0.21 0.00 0.00 66.02 64.89 1ddt s SER 528 CO -0.08 0.33 -0.12 -0.76 0.41 0.00 0.00 173.24 173.02 1ddt s LEU 529 N -0.60 3.11 -0.02 2.44 2.01 0.17 -4.43 118.68 121.35 1ddt s LEU 529 Ca 0.09 -1.14 -0.25 0.00 0.01 0.00 0.00 54.13 52.84 1ddt s LEU 529 Cb -0.12 -1.56 -0.04 0.00 0.01 0.00 0.00 46.19 44.49 1ddt s LEU 529 CO 0.02 -0.14 0.76 -0.36 1.01 0.00 0.00 176.35 177.64 1ddt s PHE 530 N 1.18 3.64 0.45 0.29 0.40 -0.46 0.11 117.98 123.59 1ddt s PHE 530 Ca -0.04 1.38 0.06 0.00 -0.60 0.00 0.00 56.93 57.73 1ddt s PHE 530 Cb -0.18 -2.85 -0.03 0.00 0.51 0.00 0.00 43.02 40.47 1ddt s PHE 530 CO -0.07 0.13 0.21 -0.59 0.70 0.00 0.00 175.22 175.60 1ddt s PHE 531 N 0.56 2.33 0.00 0.36 -0.12 0.20 -4.53 117.98 116.78 1ddt s PHE 531 Ca 0.40 -0.68 0.04 0.00 -0.05 0.00 0.00 56.93 56.64 1ddt s PHE 531 Cb -0.19 -1.92 -0.01 0.00 -0.63 0.00 0.00 43.02 40.27 1ddt s PHE 531 CO 0.21 0.06 -0.14 -1.21 -0.05 0.00 0.00 175.22 174.09 1ddt s GLU 532 N -3.98 1.08 -0.18 1.99 2.02 -0.33 -4.79 118.70 114.51 1ddt s GLU 532 Ca 0.36 -0.56 -0.12 0.00 0.02 0.00 0.00 54.97 54.67 1ddt s GLU 532 Cb 0.02 -1.06 -0.05 0.00 0.10 0.00 0.00 34.13 33.14 1ddt s GLU 532 CO 0.20 0.29 0.21 0.42 0.02 0.00 0.00 175.26 176.40 1ddt s ILE 533 N -0.45 5.35 0.19 -1.63 -1.09 -1.26 -1.12 121.20 121.20 1ddt s ILE 533 Ca 0.05 0.37 -0.01 0.00 -2.23 0.00 0.00 60.65 58.83 1ddt s ILE 533 Cb -0.06 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 1ddt s ILE 533 CO -0.00 0.41 0.11 -0.54 -1.23 0.00 0.00 174.94 173.69 1ddt s LYS 534 N 0.46 1.15 0.00 2.79 1.02 -0.75 -4.95 119.74 119.46 1ddt s LYS 534 Ca 0.12 -1.60 0.00 0.00 0.02 0.00 0.00 55.97 54.52 1ddt s LYS 534 Cb -0.12 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.40 1ddt s LYS 534 CO 0.01 -0.35 0.00 0.43 -0.92 0.00 0.00 175.35 174.52