#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cdg s HIS 3 N 0.00 1.31 -0.05 1.43 0.09 -1.22 -4.98 115.29 111.88 3cdg s HIS 3 Ca 0.00 -1.43 -0.17 0.00 -0.00 0.00 0.00 55.06 53.46 3cdg s HIS 3 Cb 0.00 -0.61 0.03 0.00 -0.00 0.00 0.00 32.58 32.00 3cdg s HIS 3 CO 0.00 -0.67 0.38 -1.54 -0.00 0.00 0.00 174.74 172.90 3cdg s SER 4 N -3.22 -0.30 -0.34 1.40 1.04 -1.26 -1.19 113.70 109.84 3cdg s SER 4 Ca 0.39 0.32 0.02 0.00 0.48 0.00 0.00 55.95 57.16 3cdg s SER 4 Cb 0.06 0.45 0.09 0.00 0.10 0.00 0.00 66.02 66.72 3cdg s SER 4 CO 0.15 -0.40 0.06 -0.22 0.98 0.00 0.00 173.24 173.81 3cdg s LEU 5 N -0.98 4.62 -0.03 2.42 2.96 -0.97 -1.26 118.68 125.44 3cdg s LEU 5 Ca -0.10 -1.95 0.02 0.00 -0.22 0.00 0.00 54.13 51.87 3cdg s LEU 5 Cb -0.04 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 3cdg s LEU 5 CO 0.04 -0.38 -0.06 -0.54 -1.32 0.00 0.00 176.35 174.09 3cdg s LYS 6 N 1.01 2.67 -0.01 1.98 1.02 0.00 -2.45 119.74 123.96 3cdg s LYS 6 Ca 0.06 -0.63 0.06 0.00 0.02 0.00 0.00 55.97 55.48 3cdg s LYS 6 Cb -0.20 -2.57 -0.01 0.00 -0.52 0.00 0.00 37.83 34.53 3cdg s LYS 6 CO -0.06 0.63 -0.19 0.71 -0.92 0.00 0.00 175.35 175.53 3cdg s TYR 7 N -0.93 1.66 -0.16 3.18 1.51 -0.46 -0.19 117.35 121.97 3cdg s TYR 7 Ca 0.15 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.90 3cdg s TYR 7 Cb -0.11 -1.07 0.03 0.00 -0.11 0.00 0.00 41.96 40.70 3cdg s TYR 7 CO 0.05 -0.03 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.30 3cdg s PHE 8 N -0.44 2.01 -0.14 2.71 0.40 -0.03 -2.73 117.98 119.76 3cdg s PHE 8 Ca 0.07 -1.20 -0.00 0.00 -0.60 0.00 0.00 56.93 55.20 3cdg s PHE 8 Cb -0.07 -1.48 -0.01 0.00 0.51 0.00 0.00 43.02 41.97 3cdg s PHE 8 CO -0.01 -0.65 -0.14 -1.01 0.70 0.00 0.00 175.22 174.12 3cdg s HIS 9 N 1.54 2.80 -0.09 0.36 3.76 0.60 -1.75 115.29 122.51 3cdg s HIS 9 Ca 0.02 -0.80 0.01 0.00 -0.15 0.00 0.00 55.06 54.14 3cdg s HIS 9 Cb -0.14 -1.87 0.02 0.00 1.11 0.00 0.00 32.58 31.70 3cdg s HIS 9 CO -0.09 -0.32 -0.11 0.99 -0.85 0.00 0.00 174.74 174.36 3cdg s THR 10 N 0.57 1.11 -0.21 1.30 2.01 0.37 -0.89 115.64 119.91 3cdg s THR 10 Ca -0.08 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.50 3cdg s THR 10 Cb -0.16 -1.06 0.05 0.00 0.01 0.00 0.00 72.50 71.34 3cdg s THR 10 CO 0.03 0.36 -0.07 -0.55 -0.69 0.00 0.00 174.62 173.70 3cdg s SER 11 N 1.06 3.49 -0.14 3.53 0.15 0.27 0.07 113.70 122.13 3cdg s SER 11 Ca -0.07 -0.97 -0.04 0.00 0.70 0.00 0.00 55.95 55.57 3cdg s SER 11 Cb -0.15 -1.16 -0.03 0.00 -1.71 0.00 0.00 66.02 62.97 3cdg s SER 11 CO -0.01 -0.19 0.02 -0.69 1.20 0.00 0.00 173.24 173.57 3cdg s VAL 12 N 1.44 4.44 0.17 4.45 1.01 0.31 -1.04 120.40 131.19 3cdg s VAL 12 Ca -0.03 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 3cdg s VAL 12 Cb -0.17 -2.94 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 3cdg s VAL 12 CO -0.07 0.53 0.44 -0.94 0.00 0.00 0.00 175.10 175.05 3cdg s SER 13 N -0.16 6.54 -0.26 3.32 1.04 -0.59 -0.17 113.70 123.42 3cdg s SER 13 Ca 0.06 0.70 -0.03 0.00 0.48 0.00 0.00 55.95 57.16 3cdg s SER 13 Cb -0.12 -2.14 0.09 0.00 0.10 0.00 0.00 66.02 63.95 3cdg s SER 13 CO 0.02 0.01 0.09 -0.13 0.98 0.00 0.00 173.24 174.21 3cdg s ARG 14 N -2.72 0.46 0.29 4.02 0.52 -1.26 -4.24 118.95 116.03 3cdg s ARG 14 Ca 0.43 -0.63 0.04 0.00 -0.52 0.00 0.00 55.73 55.05 3cdg s ARG 14 Cb -0.12 -1.74 0.69 0.00 0.52 0.00 0.00 34.95 34.30 3cdg s ARG 14 CO 0.23 -0.88 1.76 -1.35 0.02 0.00 0.00 175.30 175.09 3cdg h PRO 15 N 8.26 0.65 0.00 3.54 0.11 -1.85 -3.35 132.00 139.37 3cdg h PRO 15 Ca -0.16 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3cdg h PRO 15 Cb 1.05 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3cdg h PRO 15 CO 0.41 0.43 0.00 0.41 -0.21 0.00 0.00 178.00 179.04 3cdg n GLY 16 N -1.33 -1.24 3.55 -0.55 0.00 -1.26 -4.52 105.19 99.85 3cdg n GLY 16 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 3cdg n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cdg s ARG 17 N 0.00 2.29 0.00 1.61 3.00 -1.25 -4.89 118.95 119.71 3cdg s ARG 17 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 55.73 57.02 3cdg s ARG 17 Cb 0.00 -4.52 0.00 0.00 0.00 0.00 0.00 34.95 30.43 3cdg s ARG 17 CO 0.00 -3.07 0.00 0.41 0.00 0.00 0.00 175.30 172.64 3cdg n GLY 18 N 5.92 0.00 3.65 -3.53 0.00 -1.26 -4.54 105.19 105.43 3cdg n GLY 18 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 3cdg n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cdg s GLU 19 N -0.47 3.93 0.57 1.61 2.12 -1.26 -4.39 118.70 120.81 3cdg s GLU 19 Ca 0.00 2.45 -0.19 0.00 0.36 0.00 0.00 54.97 57.58 3cdg s GLU 19 Cb 0.00 -4.19 -0.06 0.00 0.26 0.00 0.00 34.13 30.14 3cdg s GLU 19 CO 0.00 -1.19 0.97 -0.35 -0.54 0.00 0.00 175.26 174.15 3cdg n PRO 20 N 7.77 0.99 -2.90 4.30 -0.04 -1.26 -4.80 135.00 139.06 3cdg n PRO 20 Ca 0.22 0.38 -0.39 0.00 -0.04 0.00 0.00 63.50 63.66 3cdg n PRO 20 Cb 0.42 -2.16 -0.06 0.00 -0.04 0.00 0.00 33.50 31.66 3cdg n PRO 20 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3cdg s ARG 21 N -2.64 4.63 -0.07 0.54 3.52 0.77 -4.87 118.95 120.84 3cdg s ARG 21 Ca 0.74 1.25 0.00 0.00 -0.13 0.00 0.00 55.73 57.59 3cdg s ARG 21 Cb -0.43 -3.19 0.02 0.00 -1.56 0.00 0.00 34.95 29.79 3cdg s ARG 21 CO 0.49 0.51 -0.04 0.12 -0.81 0.00 0.00 175.30 175.57 3cdg s PHE 22 N -1.24 0.88 -0.03 5.12 2.19 -1.26 -0.53 117.98 123.11 3cdg s PHE 22 Ca 0.39 -0.30 0.04 0.00 0.33 0.00 0.00 56.93 57.39 3cdg s PHE 22 Cb -0.23 -0.82 -0.00 0.00 -1.31 0.00 0.00 43.02 40.65 3cdg s PHE 22 CO 0.27 -0.29 -0.14 0.42 1.83 0.00 0.00 175.22 177.31 3cdg s ILE 23 N 1.39 1.18 -0.04 3.12 1.01 0.11 -2.64 121.20 125.32 3cdg s ILE 23 Ca -0.03 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.07 3cdg s ILE 23 Cb -0.13 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.32 3cdg s ILE 23 CO -0.03 0.35 -0.14 -0.44 0.00 0.00 0.00 174.94 174.68 3cdg s SER 24 N 0.04 1.83 -0.01 3.58 0.01 -0.23 -0.48 113.70 118.44 3cdg s SER 24 Ca -0.02 -0.30 0.03 0.00 1.31 0.00 0.00 55.95 56.97 3cdg s SER 24 Cb -0.10 -0.56 -0.00 0.00 0.21 0.00 0.00 66.02 65.57 3cdg s SER 24 CO 0.01 0.11 -0.09 0.68 0.41 0.00 0.00 173.24 174.36 3cdg s VAL 25 N 0.18 0.72 -0.14 3.43 -7.23 -0.72 -0.20 120.40 116.45 3cdg s VAL 25 Ca -0.05 -0.37 0.01 0.00 -1.81 0.00 0.00 61.98 59.75 3cdg s VAL 25 Cb -0.11 -0.62 -0.01 0.00 0.56 0.00 0.00 36.38 36.20 3cdg s VAL 25 CO 0.02 0.21 -0.15 -0.83 -0.31 0.00 0.00 175.10 174.04 3cdg s GLY 26 N -0.08 1.48 -0.12 2.32 0.00 -0.17 -0.86 107.32 109.89 3cdg s GLY 26 Ca 0.01 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.79 3cdg s GLY 26 CO -0.00 -0.13 -0.20 -0.19 0.00 0.00 0.00 173.10 172.59 3cdg s TYR 27 N 0.53 2.67 -0.24 1.90 1.51 0.74 -1.53 117.35 122.93 3cdg s TYR 27 Ca -0.10 -0.96 -0.14 0.00 -1.01 0.00 0.00 57.07 54.86 3cdg s TYR 27 Cb -0.16 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 3cdg s TYR 27 CO 0.04 -0.39 0.30 0.08 -1.11 0.00 0.00 175.55 174.47 3cdg s VAL 28 N 0.45 5.25 0.00 0.71 1.01 0.19 -0.82 120.40 127.19 3cdg s VAL 28 Ca -0.14 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.30 3cdg s VAL 28 Cb -0.17 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3cdg s VAL 28 CO 0.06 0.26 0.00 0.47 0.00 0.00 0.00 175.10 175.88 3cdg n ASP 29 N 4.69 0.00 -0.46 3.32 8.00 -0.39 0.16 116.55 131.88 3cdg n ASP 29 Ca -0.11 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.46 3cdg n ASP 29 Cb 0.51 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.74 3cdg n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3cdg n ASP 30 N 9.75 1.64 -4.14 -2.24 8.00 -1.26 -4.94 116.55 123.36 3cdg n ASP 30 Ca 0.00 -3.05 -0.33 0.00 0.71 0.00 0.00 54.79 52.12 3cdg n ASP 30 Cb 0.00 -0.41 -0.16 0.00 -0.02 0.00 0.00 41.12 40.53 3cdg n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3cdg s THR 31 N -2.22 2.25 0.28 -3.53 2.01 0.12 -5.04 115.64 109.51 3cdg s THR 31 Ca 0.29 -1.01 -0.29 0.00 0.31 0.00 0.00 61.69 60.99 3cdg s THR 31 Cb 0.28 -2.02 -0.09 0.00 0.01 0.00 0.00 72.50 70.67 3cdg s THR 31 CO -0.03 0.43 1.05 -1.58 -0.69 0.00 0.00 174.62 173.79 3cdg s GLN 32 N 1.28 4.67 0.00 4.92 0.74 -1.26 -0.64 119.66 129.37 3cdg s GLN 32 Ca 0.03 1.68 0.00 0.00 0.05 0.00 0.00 55.36 57.12 3cdg s GLN 32 Cb -0.14 -3.16 0.00 0.00 1.10 0.00 0.00 33.01 30.80 3cdg s GLN 32 CO -0.10 0.28 0.00 1.97 -0.55 0.00 0.00 175.29 176.89 3cdg n PHE 33 N 1.18 0.00 -4.13 1.67 -1.74 -0.58 -4.20 117.46 109.66 3cdg n PHE 33 Ca -0.01 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.73 3cdg n PHE 33 Cb 0.46 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 41.34 3cdg n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3cdg s VAL 34 N -1.45 0.77 0.02 1.97 -7.23 -1.24 0.32 120.40 113.57 3cdg s VAL 34 Ca 0.00 -1.10 -0.07 0.00 -1.81 0.00 0.00 61.98 59.00 3cdg s VAL 34 Cb 0.00 -0.78 -0.00 0.00 0.56 0.00 0.00 36.38 36.16 3cdg s VAL 34 CO 0.00 -0.27 0.13 0.00 -0.31 0.00 0.00 175.10 174.65 3cdg s ARG 35 N -1.52 0.56 -0.03 4.82 1.04 -0.94 -1.00 118.95 121.88 3cdg s ARG 35 Ca -0.06 -0.59 0.01 0.00 -1.04 0.00 0.00 55.73 54.06 3cdg s ARG 35 Cb -0.09 0.23 0.02 0.00 -2.04 0.00 0.00 34.95 33.06 3cdg s ARG 35 CO 0.01 -0.14 -0.05 0.12 -0.04 0.00 0.00 175.30 175.20 3cdg s PHE 36 N -2.09 0.72 -0.30 5.89 2.19 0.73 -1.90 117.98 123.21 3cdg s PHE 36 Ca -0.09 -0.18 -0.03 0.00 0.33 0.00 0.00 56.93 56.96 3cdg s PHE 36 Cb -0.04 -0.60 0.11 0.00 -1.31 0.00 0.00 43.02 41.19 3cdg s PHE 36 CO -0.02 -0.15 0.18 0.34 1.83 0.00 0.00 175.22 177.40 3cdg s ASP 37 N 0.65 3.06 -0.04 6.13 -1.08 -1.26 -1.06 116.67 123.06 3cdg s ASP 37 Ca -0.09 -1.36 -0.03 0.00 -0.52 0.00 0.00 52.55 50.55 3cdg s ASP 37 Cb -0.12 -0.18 -0.14 0.00 -1.46 0.00 0.00 42.92 41.02 3cdg s ASP 37 CO 0.00 -0.40 2.18 -0.46 0.52 0.00 0.00 175.17 177.00 3cdg n ASN 38 N 5.03 2.91 -0.44 -0.34 6.94 -1.08 -2.09 115.26 126.18 3cdg n ASN 38 Ca -0.02 -2.04 -0.01 0.00 -0.02 0.00 0.00 54.58 52.49 3cdg n ASN 38 Cb 0.42 -0.78 -0.01 0.00 -2.36 0.00 0.00 39.78 37.05 3cdg n ASN 38 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 3cdg n ASP 39 N 2.81 -0.19 -1.37 0.53 2.03 -1.26 -4.70 116.55 114.39 3cdg n ASP 39 Ca 0.24 -0.69 0.00 0.00 0.52 0.00 0.00 54.79 54.86 3cdg n ASP 39 Cb 0.48 0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 3cdg n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3cdg n ALA 40 N 0.00 0.00 0.16 -1.67 0.00 -0.89 -5.03 120.51 113.08 3cdg n ALA 40 Ca -0.05 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.40 3cdg n ALA 40 Cb 0.34 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.02 3cdg n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cdg h ALA 41 N 0.85 1.01 -3.59 0.00 0.00 -2.01 -3.40 119.26 112.12 3cdg h ALA 41 Ca 0.00 -0.48 -0.64 0.00 0.00 0.00 0.00 54.91 53.80 3cdg h ALA 41 Cb 0.00 -0.08 -0.39 0.00 0.00 0.00 0.00 17.79 17.31 3cdg h ALA 41 CO 0.00 0.65 -0.75 0.45 0.00 0.00 0.00 179.25 179.61 3cdg s SER 42 N -6.71 4.42 0.00 0.00 0.15 -1.26 -4.99 113.70 105.31 3cdg s SER 42 Ca -0.01 -1.79 0.00 0.00 0.70 0.00 0.00 55.95 54.85 3cdg s SER 42 Cb 0.12 -1.38 0.00 0.00 -1.71 0.00 0.00 66.02 63.05 3cdg s SER 42 CO 0.74 -0.34 0.75 -2.65 1.20 0.00 0.00 173.24 172.94 3cdg n PRO 43 N 4.47 0.61 -4.50 5.44 -0.02 -1.26 -4.64 135.00 135.09 3cdg n PRO 43 Ca -0.02 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.22 3cdg n PRO 43 Cb 0.42 -1.20 -0.09 0.00 -0.02 0.00 0.00 33.50 32.62 3cdg n PRO 43 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3cdg s ARG 44 N 0.49 1.82 0.09 -0.52 1.70 -1.26 -4.86 118.95 116.41 3cdg s ARG 44 Ca 0.00 -2.08 -0.30 0.00 -0.47 0.00 0.00 55.73 52.88 3cdg s ARG 44 Cb 0.00 -0.78 -0.06 0.00 -0.57 0.00 0.00 34.95 33.55 3cdg s ARG 44 CO 0.00 -0.35 1.09 1.41 -1.08 0.00 0.00 175.30 176.38 3cdg s MET 45 N -3.80 4.54 0.25 3.89 -2.45 -1.26 -4.41 119.30 116.05 3cdg s MET 45 Ca 0.28 1.64 0.06 0.00 -1.25 0.00 0.00 55.69 56.43 3cdg s MET 45 Cb 0.05 -3.35 -0.05 0.00 1.25 0.00 0.00 34.83 32.72 3cdg s MET 45 CO 0.14 -0.06 -0.07 0.14 1.05 0.00 0.00 175.02 176.22 3cdg s VAL 46 N 0.54 1.58 0.28 10.11 -7.23 -0.80 -4.93 120.40 119.96 3cdg s VAL 46 Ca 0.53 -2.13 -0.19 0.00 -1.81 0.00 0.00 61.98 58.38 3cdg s VAL 46 Cb -0.27 -2.32 -0.09 0.00 0.56 0.00 0.00 36.38 34.26 3cdg s VAL 46 CO 0.31 -0.39 0.76 -2.84 -0.31 0.00 0.00 175.10 172.63 3cdg s PRO 47 N -3.72 4.19 0.00 4.82 0.02 -1.26 -2.20 135.00 136.84 3cdg s PRO 47 Ca 0.27 0.85 0.00 0.00 0.02 0.00 0.00 61.00 62.15 3cdg s PRO 47 Cb 0.03 -2.67 0.00 0.00 0.02 0.00 0.00 34.50 31.87 3cdg s PRO 47 CO 0.10 0.28 0.74 0.54 -0.33 0.00 0.00 177.00 178.33 3cdg n ARG 48 N 0.25 1.50 -4.20 5.54 5.12 0.97 -4.85 116.66 120.98 3cdg n ARG 48 Ca 0.01 -1.02 -0.17 0.00 -1.93 0.00 0.00 57.85 54.74 3cdg n ARG 48 Cb 0.52 -0.86 -0.15 0.00 -1.16 0.00 0.00 32.46 30.81 3cdg n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3cdg s ALA 49 N -0.55 0.53 0.56 7.54 0.00 -1.13 -4.63 121.76 124.07 3cdg s ALA 49 Ca 0.00 -0.23 0.27 0.00 0.00 0.00 0.00 51.96 52.00 3cdg s ALA 49 Cb 0.00 -0.17 1.47 0.00 0.00 0.00 0.00 23.12 24.42 3cdg s ALA 49 CO 0.00 0.11 2.00 -1.35 0.00 0.00 0.00 175.76 176.51 3cdg h PRO 50 N 6.17 0.00 -0.69 0.00 0.11 -1.93 -1.48 132.00 134.18 3cdg h PRO 50 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3cdg h PRO 50 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3cdg h PRO 50 CO 0.50 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.62 3cdg n TRP 51 N -4.10 0.76 0.08 0.65 4.27 -1.26 -3.17 117.44 114.68 3cdg n TRP 51 Ca 0.08 -0.28 0.01 0.00 -3.89 0.00 0.00 57.50 53.42 3cdg n TRP 51 Cb 0.56 -0.20 -0.02 0.00 -1.36 0.00 0.00 31.31 30.29 3cdg n TRP 51 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 3cdg n MET 52 N 0.30 3.84 0.00 -2.67 2.81 -0.56 -4.64 117.12 116.21 3cdg n MET 52 Ca 0.11 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 3cdg n MET 52 Cb 0.55 -0.79 0.00 0.00 -0.71 0.00 0.00 33.22 32.27 3cdg n MET 52 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3cdg n GLU 53 N -1.26 0.69 -0.10 0.03 1.02 -1.19 -1.80 120.64 118.03 3cdg n GLU 53 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.20 3cdg n GLU 53 Cb 0.05 -1.31 0.08 0.00 -0.02 0.00 0.00 31.44 30.24 3cdg n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cdg n GLN 54 N 0.25 1.53 -3.38 3.49 0.00 -1.26 -5.05 117.38 112.96 3cdg n GLN 54 Ca 0.00 -1.97 -0.27 0.00 0.00 0.00 0.00 57.00 54.76 3cdg n GLN 54 Cb 0.20 -1.18 -0.03 0.00 0.00 0.00 0.00 30.24 29.23 3cdg n GLN 54 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 3cdg s GLU 55 N -1.85 3.58 0.54 2.61 0.41 -0.75 -5.10 118.70 118.14 3cdg s GLU 55 Ca 0.17 -0.12 0.09 0.00 -0.41 0.00 0.00 54.97 54.70 3cdg s GLU 55 Cb 0.15 -2.67 0.07 0.00 -1.78 0.00 0.00 34.13 29.90 3cdg s GLU 55 CO 0.02 0.22 0.71 0.20 -0.49 0.00 0.00 175.26 175.91 3cdg s GLY 56 N -3.39 1.83 0.23 -1.39 0.00 -1.26 -4.94 107.32 98.40 3cdg s GLY 56 Ca 0.42 -1.98 -0.08 0.00 0.00 0.00 0.00 44.72 43.08 3cdg s GLY 56 CO 0.32 -1.67 1.68 1.76 0.00 0.00 0.00 173.10 175.19 3cdg h SER 57 N 0.33 -0.06 -1.07 1.64 0.02 -1.99 -1.37 113.55 111.05 3cdg h SER 57 Ca -0.33 0.14 0.37 0.00 -0.84 0.00 0.00 61.79 61.13 3cdg h SER 57 Cb 1.29 0.21 -0.15 0.00 0.14 0.00 0.00 62.40 63.88 3cdg h SER 57 CO 0.43 -0.05 0.62 -0.08 -1.14 0.00 0.00 176.83 176.62 3cdg h GLU 58 N 0.23 0.19 0.08 3.45 4.57 -1.99 0.44 114.58 121.55 3cdg h GLU 58 Ca 0.37 -0.01 -0.30 0.00 -1.18 0.00 0.00 59.36 58.24 3cdg h GLU 58 Cb 0.61 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 3cdg h GLU 58 CO -0.49 0.13 -1.60 -0.92 -1.18 0.00 0.00 179.01 174.95 3cdg h TYR 59 N 0.20 0.29 -0.03 0.92 3.20 -1.65 -3.10 116.97 116.80 3cdg h TYR 59 Ca 0.77 -0.21 -0.07 0.00 3.14 0.00 0.00 58.73 62.36 3cdg h TYR 59 Cb 1.99 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 40.24 3cdg h TYR 59 CO -0.01 1.63 -0.30 -1.49 -1.64 0.00 0.00 178.16 176.35 3cdg h TRP 60 N -0.41 0.07 0.41 -3.82 -0.00 -0.81 -2.06 115.95 109.34 3cdg h TRP 60 Ca -0.37 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 58.49 3cdg h TRP 60 Cb 1.70 -0.02 0.00 0.00 -0.00 0.00 0.00 29.16 30.85 3cdg h TRP 60 CO 0.10 0.36 -0.20 -0.44 -0.00 0.00 0.00 178.44 178.26 3cdg h ASP 61 N 0.06 -0.47 -0.77 -3.49 3.32 -0.32 -2.82 116.42 111.93 3cdg h ASP 61 Ca 0.01 -0.04 0.18 0.00 0.02 0.00 0.00 57.03 57.19 3cdg h ASP 61 Cb 0.57 0.12 -0.12 0.00 0.22 0.00 0.00 39.33 40.12 3cdg h ASP 61 CO 0.04 -0.03 0.16 -0.09 -1.72 0.00 0.00 179.24 177.60 3cdg h ARG 62 N -1.10 0.22 -0.15 3.56 2.43 -1.45 0.73 114.38 118.62 3cdg h ARG 62 Ca -0.06 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.99 3cdg h ARG 62 Cb 0.48 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3cdg h ARG 62 CO 0.09 0.15 -0.39 0.93 -1.51 0.00 0.00 179.97 179.25 3cdg h GLU 63 N 0.23 0.32 -0.50 0.20 4.39 -1.47 -1.24 114.58 116.53 3cdg h GLU 63 Ca 0.44 -0.15 -0.12 0.00 0.34 0.00 0.00 59.36 59.88 3cdg h GLU 63 Cb 0.79 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 3cdg h GLU 63 CO -0.57 0.67 -0.15 1.15 -1.16 0.00 0.00 179.01 178.95 3cdg h THR 64 N 0.27 1.27 -0.54 1.13 2.02 -0.79 0.76 112.91 117.03 3cdg h THR 64 Ca 0.03 -1.30 0.11 0.00 0.77 0.00 0.00 66.41 66.01 3cdg h THR 64 Cb 0.81 1.07 -0.09 0.00 -1.74 0.00 0.00 68.15 68.20 3cdg h THR 64 CO 0.06 0.45 0.03 -0.09 0.37 0.00 0.00 175.52 176.34 3cdg h ARG 65 N 0.84 0.14 -0.06 6.66 2.43 -0.22 0.80 114.38 124.97 3cdg h ARG 65 Ca 0.12 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3cdg h ARG 65 Cb 0.72 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3cdg h ARG 65 CO 0.05 0.09 0.02 0.77 -1.51 0.00 0.00 179.97 179.39 3cdg h SER 66 N 0.15 0.09 0.62 -3.80 0.02 -0.91 -2.24 113.55 107.47 3cdg h SER 66 Ca 0.28 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 3cdg h SER 66 Cb 0.42 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.95 3cdg h SER 66 CO -0.43 0.29 -0.30 0.00 -1.14 0.00 0.00 176.83 175.25 3cdg h ALA 67 N 0.80 -0.84 -0.94 3.77 0.00 -0.26 -0.41 119.26 121.39 3cdg h ALA 67 Ca 0.02 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.83 3cdg h ALA 67 Cb 0.23 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 3cdg h ALA 67 CO -0.00 -0.92 0.61 0.00 0.00 0.00 0.00 179.25 178.94 3cdg h ARG 68 N -0.95 0.93 -0.29 0.00 3.08 -0.94 -0.91 114.38 115.31 3cdg h ARG 68 Ca -0.09 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 59.75 3cdg h ARG 68 Cb 0.68 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 3cdg h ARG 68 CO 0.14 0.62 -0.45 -0.44 -1.07 0.00 0.00 179.97 178.77 3cdg h ASP 69 N 0.96 0.79 -0.35 7.04 3.32 -1.27 -2.68 116.42 124.24 3cdg h ASP 69 Ca 0.44 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 3cdg h ASP 69 Cb 0.40 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3cdg h ASP 69 CO -0.20 1.12 0.04 0.74 -1.72 0.00 0.00 179.24 179.23 3cdg h THR 70 N 0.59 1.22 -0.11 0.35 2.02 -0.09 -2.62 112.91 114.27 3cdg h THR 70 Ca 0.04 -0.84 -0.12 0.00 0.77 0.00 0.00 66.41 66.25 3cdg h THR 70 Cb 1.01 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 3cdg h THR 70 CO 0.10 0.30 -0.48 0.00 0.37 0.00 0.00 175.52 175.80 3cdg h ALA 71 N 1.40 0.98 -0.32 6.16 0.00 -0.92 -1.74 119.26 124.82 3cdg h ALA 71 Ca 0.14 -0.46 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 3cdg h ALA 71 Cb 0.34 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3cdg h ALA 71 CO 0.01 0.65 -0.42 1.96 0.00 0.00 0.00 179.25 181.44 3cdg h GLN 72 N 0.22 0.86 -0.55 0.00 4.20 -1.30 -1.02 115.11 117.52 3cdg h GLN 72 Ca 0.01 -0.49 0.03 0.00 0.06 0.00 0.00 58.65 58.26 3cdg h GLN 72 Cb 0.94 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.72 3cdg h GLN 72 CO 0.08 1.13 0.36 0.82 -0.67 0.00 0.00 178.83 180.55 3cdg h ILE 73 N 0.64 1.07 0.04 2.54 1.08 -1.08 -2.23 117.51 119.57 3cdg h ILE 73 Ca 0.04 -0.22 -0.14 0.00 -0.39 0.00 0.00 64.86 64.15 3cdg h ILE 73 Cb 1.02 0.38 0.01 0.00 -3.07 0.00 0.00 36.82 35.16 3cdg h ILE 73 CO 0.10 0.12 -0.58 -0.26 -0.69 0.00 0.00 178.15 176.84 3cdg h PHE 74 N 0.64 0.51 -0.85 1.37 -1.00 -1.11 -0.52 116.94 115.99 3cdg h PHE 74 Ca 0.22 -0.30 0.22 0.00 2.81 0.00 0.00 57.97 60.91 3cdg h PHE 74 Cb 0.08 -0.05 -0.14 0.00 3.61 0.00 0.00 35.95 39.45 3cdg h PHE 74 CO -0.00 1.15 0.20 -0.09 -1.61 0.00 0.00 178.31 177.96 3cdg h ARG 75 N -0.28 0.20 0.77 1.51 2.43 -0.84 0.38 114.38 118.56 3cdg h ARG 75 Ca -0.08 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 3cdg h ARG 75 Cb 1.34 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.85 3cdg h ARG 75 CO 0.11 0.13 -0.37 0.28 -1.51 0.00 0.00 179.97 178.61 3cdg h VAL 76 N 0.20 0.13 -0.69 0.20 2.07 -1.36 -3.09 116.25 113.73 3cdg h VAL 76 Ca 0.52 -0.16 0.15 0.00 0.82 0.00 0.00 66.70 68.02 3cdg h VAL 76 Cb 1.00 0.16 -0.12 0.00 -1.52 0.00 0.00 31.29 30.81 3cdg h VAL 76 CO -0.64 0.01 -0.00 0.78 0.02 0.00 0.00 177.57 177.74 3cdg h ASN 77 N -1.18 -0.32 -0.46 0.57 2.35 0.80 0.37 115.58 117.71 3cdg h ASN 77 Ca -0.11 0.17 0.09 0.00 -0.55 0.00 0.00 56.30 55.91 3cdg h ASN 77 Cb 0.81 0.31 -0.09 0.00 0.05 0.00 0.00 38.32 39.40 3cdg h ASN 77 CO 0.17 -0.15 -0.13 -0.07 -1.65 0.00 0.00 177.43 175.61 3cdg h LEU 78 N 0.11 -0.47 0.06 1.61 3.38 -0.39 0.46 115.31 120.07 3cdg h LEU 78 Ca 0.36 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.50 3cdg h LEU 78 Cb 0.61 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 3cdg h LEU 78 CO -0.60 -0.16 -0.24 0.03 0.09 0.00 0.00 178.44 177.56 3cdg h ARG 79 N -0.02 -0.40 -0.99 1.13 3.08 -0.70 0.61 114.38 117.10 3cdg h ARG 79 Ca 0.22 0.03 0.20 0.00 0.07 0.00 0.00 59.98 60.50 3cdg h ARG 79 Cb 0.35 0.09 -0.10 0.00 0.08 0.00 0.00 29.97 30.39 3cdg h ARG 79 CO -0.48 -0.26 0.61 1.15 -1.07 0.00 0.00 179.97 179.92 3cdg h THR 80 N -0.41 0.69 0.07 2.04 2.02 0.21 -1.11 112.91 116.42 3cdg h THR 80 Ca 0.05 -0.24 -0.09 0.00 0.77 0.00 0.00 66.41 66.89 3cdg h THR 80 Cb 0.46 -0.07 0.01 0.00 -1.74 0.00 0.00 68.15 66.82 3cdg h THR 80 CO -0.18 0.13 -0.41 -0.07 0.37 0.00 0.00 175.52 175.35 3cdg h LEU 81 N 0.69 0.23 -1.95 2.58 3.38 0.05 -2.87 115.31 117.42 3cdg h LEU 81 Ca 0.57 -0.97 0.33 0.00 0.09 0.00 0.00 57.88 57.89 3cdg h LEU 81 Cb 0.98 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 3cdg h LEU 81 CO -0.35 1.20 0.85 -0.09 0.09 0.00 0.00 178.44 180.14 3cdg h ARG 82 N -0.69 0.00 0.57 1.13 2.43 -0.26 0.18 114.38 117.74 3cdg h ARG 82 Ca -0.07 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3cdg h ARG 82 Cb 1.32 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.87 3cdg h ARG 82 CO 0.07 0.00 -0.27 0.78 -1.51 0.00 0.00 179.97 179.04 3cdg h GLY 83 N 0.00 -0.80 -0.26 2.80 0.00 -1.09 -0.47 103.07 103.25 3cdg h GLY 83 Ca 0.54 0.30 0.08 0.00 0.00 0.00 0.00 47.33 48.25 3cdg h GLY 83 CO -0.01 -0.29 -0.35 -0.97 0.00 0.00 0.00 176.54 174.92 3cdg h TYR 84 N -1.12 -0.99 0.00 5.60 0.05 -0.52 0.62 116.97 120.61 3cdg h TYR 84 Ca -0.08 0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3cdg h TYR 84 Cb 0.59 0.50 0.00 0.00 1.01 0.00 0.00 36.73 38.83 3cdg h TYR 84 CO 0.01 -0.40 0.00 0.66 -1.05 0.00 0.00 178.16 177.39 3cdg n TYR 85 N -5.42 0.00 -4.22 4.88 0.53 -0.07 -4.86 117.16 108.00 3cdg n TYR 85 Ca 0.01 0.00 -0.34 0.00 -1.02 0.00 0.00 57.90 56.55 3cdg n TYR 85 Cb 0.34 -0.06 -0.06 0.00 -1.03 0.00 0.00 39.34 38.53 3cdg n TYR 85 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 3cdg n ASN 86 N -0.18 -0.38 -4.86 7.72 2.85 0.21 -4.87 115.26 115.75 3cdg n ASN 86 Ca 0.00 -1.25 -0.37 0.00 -0.11 0.00 0.00 54.58 52.85 3cdg n ASN 86 Cb 0.15 -1.80 -0.06 0.00 1.24 0.00 0.00 39.78 39.31 3cdg n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 3cdg s GLN 87 N -7.29 3.57 -0.15 1.20 -0.21 -0.20 -5.04 119.66 111.53 3cdg s GLN 87 Ca 0.11 -0.03 -0.24 0.00 0.02 0.00 0.00 55.36 55.23 3cdg s GLN 87 Cb -0.06 -3.21 -0.11 0.00 1.00 0.00 0.00 33.01 30.63 3cdg s GLN 87 CO 0.98 0.74 0.73 -1.13 -2.12 0.00 0.00 175.29 174.49 3cdg n SER 88 N 2.02 0.36 0.00 5.90 3.41 -1.26 -4.79 113.62 119.26 3cdg n SER 88 Ca -0.19 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.18 3cdg n SER 88 Cb 0.54 -0.48 0.70 0.00 -0.26 0.00 0.00 64.21 64.71 3cdg n SER 88 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3cdg n GLU 89 N 1.56 0.55 0.04 4.33 2.13 -1.26 -3.46 120.64 124.53 3cdg n GLU 89 Ca 0.14 0.03 -0.14 0.00 0.66 0.00 0.00 57.16 57.84 3cdg n GLU 89 Cb 0.00 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.07 3cdg n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3cdg h ALA 90 N 3.38 0.39 -2.41 4.31 0.00 -2.01 -3.47 119.26 119.45 3cdg h ALA 90 Ca 0.00 -1.18 -0.49 0.00 0.00 0.00 0.00 54.91 53.23 3cdg h ALA 90 Cb 0.14 0.31 0.10 0.00 0.00 0.00 0.00 17.79 18.34 3cdg h ALA 90 CO 0.00 1.26 0.36 0.20 0.00 0.00 0.00 179.25 181.07 3cdg s GLY 91 N -5.01 1.63 -0.13 0.00 0.00 -1.22 -4.73 107.32 97.85 3cdg s GLY 91 Ca -0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 44.72 44.44 3cdg s GLY 91 CO 0.84 0.21 -0.05 -0.45 0.00 0.00 0.00 173.10 173.64 3cdg s SER 92 N -3.99 4.69 0.27 1.64 0.15 -1.26 -4.72 113.70 110.49 3cdg s SER 92 Ca 0.60 -0.12 0.04 0.00 0.70 0.00 0.00 55.95 57.17 3cdg s SER 92 Cb -0.13 -1.62 -0.06 0.00 -1.71 0.00 0.00 66.02 62.50 3cdg s SER 92 CO 0.54 0.22 0.02 -1.00 1.20 0.00 0.00 173.24 174.22 3cdg s HIS 93 N 0.05 1.75 -0.12 3.44 3.76 -1.26 -4.93 115.29 117.97 3cdg s HIS 93 Ca -0.01 -0.94 0.00 0.00 -0.15 0.00 0.00 55.06 53.97 3cdg s HIS 93 Cb -0.14 -1.06 0.02 0.00 1.11 0.00 0.00 32.58 32.51 3cdg s HIS 93 CO 0.03 -0.02 -0.11 0.99 -0.85 0.00 0.00 174.74 174.78 3cdg s THR 94 N -3.36 1.27 -0.17 1.30 2.01 -1.26 -1.53 115.64 113.89 3cdg s THR 94 Ca 0.32 -0.46 -0.03 0.00 0.31 0.00 0.00 61.69 61.84 3cdg s THR 94 Cb 0.07 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.34 3cdg s THR 94 CO 0.12 0.40 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.17 3cdg s LEU 95 N 1.44 3.00 0.08 4.42 2.96 -0.20 0.24 118.68 130.61 3cdg s LEU 95 Ca 0.01 -0.26 0.08 0.00 -0.22 0.00 0.00 54.13 53.74 3cdg s LEU 95 Cb -0.13 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 3cdg s LEU 95 CO -0.07 0.11 -0.21 -1.10 -1.32 0.00 0.00 176.35 173.76 3cdg s GLN 96 N 0.71 1.26 -0.10 1.98 -0.21 0.10 -0.56 119.66 122.83 3cdg s GLN 96 Ca -0.03 -1.09 -0.07 0.00 0.02 0.00 0.00 55.36 54.20 3cdg s GLN 96 Cb -0.15 -1.48 0.04 0.00 1.00 0.00 0.00 33.01 32.42 3cdg s GLN 96 CO 0.02 0.36 0.25 -0.46 -2.12 0.00 0.00 175.29 173.34 3cdg s TRP 97 N -1.00 -0.30 -0.02 0.91 -0.00 -0.07 -0.93 118.94 117.52 3cdg s TRP 97 Ca 0.07 0.73 -0.06 0.00 -0.00 0.00 0.00 56.10 56.84 3cdg s TRP 97 Cb -0.10 0.07 0.01 0.00 -0.00 0.00 0.00 33.47 33.45 3cdg s TRP 97 CO 0.03 -0.19 0.14 0.00 -0.00 0.00 0.00 176.95 176.94 3cdg s MET 98 N 0.73 0.34 0.07 5.86 0.23 -0.97 -0.29 119.30 125.28 3cdg s MET 98 Ca -0.05 -0.13 -0.16 0.00 -1.03 0.00 0.00 55.69 54.32 3cdg s MET 98 Cb -0.06 0.15 0.03 0.00 -1.53 0.00 0.00 34.83 33.42 3cdg s MET 98 CO -0.04 -0.07 0.38 -3.38 -2.03 0.00 0.00 175.02 169.87 3cdg s HIS 99 N -0.73 -0.20 -0.17 3.16 -3.43 -1.10 -1.76 115.29 111.06 3cdg s HIS 99 Ca -0.08 0.04 -0.33 0.00 -0.80 0.00 0.00 55.06 53.89 3cdg s HIS 99 Cb -0.05 0.19 0.14 0.00 -1.43 0.00 0.00 32.58 31.43 3cdg s HIS 99 CO 0.01 -0.59 1.16 0.20 -2.00 0.00 0.00 174.74 173.51 3cdg s GLY 100 N -2.28 -0.28 -0.05 -1.38 0.00 -0.88 -1.35 107.32 101.10 3cdg s GLY 100 Ca -0.02 1.69 0.06 0.00 0.00 0.00 0.00 44.72 46.45 3cdg s GLY 100 CO -0.06 0.61 -0.25 0.00 0.00 0.00 0.00 173.10 173.41 3cdg s GLU 102 N -0.21 3.63 0.08 0.00 2.02 0.57 -2.30 118.70 122.49 3cdg s GLU 102 Ca -0.02 -0.53 -0.19 0.00 0.02 0.00 0.00 54.97 54.25 3cdg s GLU 102 Cb -0.13 -2.95 -0.07 0.00 0.10 0.00 0.00 34.13 31.08 3cdg s GLU 102 CO 0.03 0.16 0.57 -0.51 0.02 0.00 0.00 175.26 175.53 3cdg s LEU 103 N 0.58 4.51 1.23 1.80 1.43 -0.33 0.96 118.68 128.86 3cdg s LEU 103 Ca -0.03 1.26 -0.19 0.00 -1.03 0.00 0.00 54.13 54.14 3cdg s LEU 103 Cb -0.14 -2.94 0.30 0.00 0.03 0.00 0.00 46.19 43.44 3cdg s LEU 103 CO 0.02 0.26 1.06 -0.83 0.23 0.00 0.00 176.35 177.10 3cdg s GLY 104 N -1.16 1.54 0.42 -3.19 0.00 0.67 -3.37 107.32 102.22 3cdg s GLY 104 Ca 0.30 -0.82 0.09 0.00 0.00 0.00 0.00 44.72 44.28 3cdg s GLY 104 CO 0.19 0.06 2.04 -2.55 0.00 0.00 0.00 173.10 172.84 3cdg h PRO 105 N -2.72 0.50 0.00 2.90 0.11 -1.96 -1.90 132.00 128.93 3cdg h PRO 105 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3cdg h PRO 105 Cb 1.31 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3cdg h PRO 105 CO 0.36 0.33 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 3cdg n ASP 106 N -4.48 0.00 0.00 -2.05 5.75 -1.26 -4.49 116.55 110.02 3cdg n ASP 106 Ca 0.05 -0.20 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 3cdg n ASP 106 Cb 0.15 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 3cdg n ASP 106 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3cdg n ARG 107 N -1.09 0.00 -4.14 0.11 5.12 -0.72 -5.04 116.66 110.91 3cdg n ARG 107 Ca 0.07 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.74 3cdg n ARG 107 Cb 0.05 -0.95 -0.06 0.00 -1.16 0.00 0.00 32.46 30.34 3cdg n ARG 107 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3cdg s ARG 108 N -0.41 2.72 -0.16 5.56 3.52 -1.26 -4.78 118.95 124.13 3cdg s ARG 108 Ca 0.00 -0.99 -0.38 0.00 -0.13 0.00 0.00 55.73 54.22 3cdg s ARG 108 Cb 0.00 -2.52 -0.18 0.00 -1.56 0.00 0.00 34.95 30.69 3cdg s ARG 108 CO 0.00 0.46 1.14 0.34 -0.81 0.00 0.00 175.30 176.43 3cdg n PHE 109 N -0.40 0.94 -0.09 5.12 7.35 -1.26 -0.24 117.46 128.88 3cdg n PHE 109 Ca -0.09 0.98 -0.18 0.00 -0.76 0.00 0.00 57.45 57.41 3cdg n PHE 109 Cb 0.55 -1.93 -0.06 0.00 0.35 0.00 0.00 39.48 38.39 3cdg n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3cdg n LEU 110 N 2.17 1.55 -3.54 -2.13 7.94 0.27 -4.52 117.00 118.74 3cdg n LEU 110 Ca 0.22 0.26 -0.10 0.00 -1.11 0.00 0.00 56.01 55.28 3cdg n LEU 110 Cb 0.03 -0.63 -0.02 0.00 0.53 0.00 0.00 43.42 43.33 3cdg n LEU 110 CO 0.64 0.21 0.49 0.00 -1.11 0.00 0.00 177.39 177.62 3cdg s ARG 111 N -2.47 1.28 0.06 1.96 1.70 -0.88 -4.96 118.95 115.64 3cdg s ARG 111 Ca -0.27 -0.55 0.02 0.00 -0.47 0.00 0.00 55.73 54.46 3cdg s ARG 111 Cb 0.09 0.54 -0.03 0.00 -0.57 0.00 0.00 34.95 34.98 3cdg s ARG 111 CO 0.36 -0.57 -0.08 0.20 -1.08 0.00 0.00 175.30 174.13 3cdg s GLY 112 N -2.74 0.62 0.03 3.88 0.00 -1.26 -0.32 107.32 107.53 3cdg s GLY 112 Ca 0.04 -0.98 -0.03 0.00 0.00 0.00 0.00 44.72 43.76 3cdg s GLY 112 CO -0.08 -1.05 0.02 -2.52 0.00 0.00 0.00 173.10 169.47 3cdg s TYR 113 N -2.15 0.28 -0.28 1.90 -0.85 -0.88 -4.93 117.35 110.43 3cdg s TYR 113 Ca -0.02 -0.61 -0.20 0.00 -0.52 0.00 0.00 57.07 55.72 3cdg s TYR 113 Cb -0.05 -0.21 0.12 0.00 0.38 0.00 0.00 41.96 42.21 3cdg s TYR 113 CO -0.01 -0.30 0.93 -2.00 -1.52 0.00 0.00 175.55 172.66 3cdg s GLU 114 N -2.38 0.51 0.04 -3.49 2.12 -1.26 -2.08 118.70 112.16 3cdg s GLU 114 Ca -0.07 0.75 -0.27 0.00 0.36 0.00 0.00 54.97 55.73 3cdg s GLU 114 Cb -0.03 0.17 0.07 0.00 0.26 0.00 0.00 34.13 34.61 3cdg s GLU 114 CO -0.04 -0.08 0.67 1.14 -0.54 0.00 0.00 175.26 176.40 3cdg s GLN 115 N 0.91 1.13 0.23 4.30 -2.07 -0.72 -0.34 119.66 123.09 3cdg s GLN 115 Ca -0.04 -0.08 0.07 0.00 -1.82 0.00 0.00 55.36 53.49 3cdg s GLN 115 Cb -0.04 0.53 -0.04 0.00 -1.09 0.00 0.00 33.01 32.36 3cdg s GLN 115 CO -0.11 -0.42 0.13 -0.06 -1.32 0.00 0.00 175.29 173.50 3cdg s PHE 116 N -2.37 3.02 -0.12 9.60 0.40 0.19 -2.29 117.98 126.40 3cdg s PHE 116 Ca -0.05 -0.12 -0.08 0.00 -0.60 0.00 0.00 56.93 56.08 3cdg s PHE 116 Cb -0.00 -1.38 0.04 0.00 0.51 0.00 0.00 43.02 42.19 3cdg s PHE 116 CO -0.01 0.54 0.30 0.00 0.70 0.00 0.00 175.22 176.75 3cdg s ALA 117 N -2.07 -0.72 -0.23 5.36 0.00 -0.11 -1.37 121.76 122.62 3cdg s ALA 117 Ca 0.32 1.02 0.01 0.00 0.00 0.00 0.00 51.96 53.31 3cdg s ALA 117 Cb -0.08 -0.62 0.04 0.00 0.00 0.00 0.00 23.12 22.45 3cdg s ALA 117 CO 0.23 -0.18 -0.13 -0.47 0.00 0.00 0.00 175.76 175.21 3cdg s TYR 118 N 0.81 3.06 -0.96 0.00 5.04 -0.20 -0.73 117.35 124.37 3cdg s TYR 118 Ca -0.05 -1.92 -0.03 0.00 -2.44 0.00 0.00 57.07 52.63 3cdg s TYR 118 Cb -0.06 -1.96 -0.03 0.00 0.35 0.00 0.00 41.96 40.26 3cdg s TYR 118 CO -0.05 -0.82 0.82 -0.25 -1.34 0.00 0.00 175.55 173.91 3cdg n ASP 119 N 4.55 -4.07 0.00 4.32 8.00 0.14 -2.96 116.55 126.53 3cdg n ASP 119 Ca -0.17 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 54.76 3cdg n ASP 119 Cb 0.46 -4.51 0.00 0.00 -0.02 0.00 0.00 41.12 37.05 3cdg n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cdg n GLY 120 N -1.19 0.20 3.48 0.44 0.00 -1.26 -4.96 105.19 101.89 3cdg n GLY 120 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 3cdg n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cdg s LYS 121 N -1.09 2.41 0.07 1.61 2.20 -1.16 -5.08 119.74 118.70 3cdg s LYS 121 Ca 0.00 -0.76 -0.32 0.00 -0.36 0.00 0.00 55.97 54.53 3cdg s LYS 121 Cb 0.00 -2.34 -0.11 0.00 -1.51 0.00 0.00 37.83 33.87 3cdg s LYS 121 CO 0.00 0.60 1.84 -0.25 -0.36 0.00 0.00 175.35 177.18 3cdg n ASP 122 N 2.08 3.83 -0.03 1.43 9.92 -1.26 -1.03 116.55 131.50 3cdg n ASP 122 Ca -0.17 0.98 -0.03 0.00 -0.53 0.00 0.00 54.79 55.04 3cdg n ASP 122 Cb 0.52 -1.49 -0.01 0.00 -0.64 0.00 0.00 41.12 39.50 3cdg n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3cdg n TYR 123 N 5.89 0.00 -4.23 1.24 4.19 -0.47 -4.04 117.16 119.74 3cdg n TYR 123 Ca 0.19 0.00 -0.18 0.00 3.31 0.00 0.00 57.90 61.22 3cdg n TYR 123 Cb 0.35 -0.18 -0.15 0.00 0.49 0.00 0.00 39.34 39.85 3cdg n TYR 123 CO 0.00 0.00 0.00 -1.17 0.91 0.00 0.00 176.86 176.60 3cdg s LEU 124 N -6.33 1.76 0.01 2.98 2.96 -1.11 -1.55 118.68 117.41 3cdg s LEU 124 Ca -0.11 -0.13 0.07 0.00 -0.22 0.00 0.00 54.13 53.74 3cdg s LEU 124 Cb 0.01 -0.40 -0.02 0.00 0.50 0.00 0.00 46.19 46.28 3cdg s LEU 124 CO 0.16 0.04 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.13 3cdg s THR 125 N 0.23 1.64 -0.23 3.68 2.01 -0.96 0.53 115.64 122.54 3cdg s THR 125 Ca -0.03 -1.04 -0.23 0.00 0.31 0.00 0.00 61.69 60.70 3cdg s THR 125 Cb -0.07 -1.40 -0.01 0.00 0.01 0.00 0.00 72.50 71.03 3cdg s THR 125 CO -0.00 0.33 0.77 -0.22 -0.69 0.00 0.00 174.62 174.81 3cdg s LEU 126 N -0.83 4.10 0.47 4.42 2.96 0.53 -1.37 118.68 128.97 3cdg s LEU 126 Ca 0.08 0.97 -0.22 0.00 -0.22 0.00 0.00 54.13 54.74 3cdg s LEU 126 Cb -0.08 -3.10 -0.10 0.00 0.50 0.00 0.00 46.19 43.41 3cdg s LEU 126 CO 0.01 -0.44 0.81 0.59 -1.32 0.00 0.00 176.35 176.00 3cdg n ASN 127 N 5.71 0.30 -0.27 3.68 3.02 -0.49 -4.61 115.26 122.60 3cdg n ASN 127 Ca 0.03 0.93 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 3cdg n ASN 127 Cb 0.48 -1.27 0.07 0.00 -0.61 0.00 0.00 39.78 38.45 3cdg n ASN 127 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3cdg h GLU 128 N 1.00 -0.04 0.00 3.52 4.39 -1.91 0.63 114.58 122.18 3cdg h GLU 128 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 3cdg h GLU 128 Cb 1.37 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 3cdg h GLU 128 CO 0.53 -0.03 0.00 -0.40 -1.16 0.00 0.00 179.01 177.96 3cdg n ASP 129 N -5.50 0.00 -1.29 1.42 5.75 -1.26 -4.83 116.55 110.85 3cdg n ASP 129 Ca 0.10 -0.67 -0.11 0.00 -0.01 0.00 0.00 54.79 54.10 3cdg n ASP 129 Cb 0.39 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.44 3cdg n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3cdg n LEU 130 N -0.70 -0.77 -0.00 -2.12 4.77 0.22 -4.76 117.00 113.64 3cdg n LEU 130 Ca 0.04 0.26 0.06 0.00 -0.03 0.00 0.00 56.01 56.35 3cdg n LEU 130 Cb 0.02 -1.73 -0.08 0.00 -2.33 0.00 0.00 43.42 39.30 3cdg n LEU 130 CO 0.03 -0.57 -0.10 -1.14 -1.33 0.00 0.00 177.39 174.28 3cdg n ARG 131 N -1.67 2.30 -3.74 3.23 0.63 -1.26 -4.45 116.66 111.69 3cdg n ARG 131 Ca -0.11 -0.01 -0.09 0.00 -0.92 0.00 0.00 57.85 56.72 3cdg n ARG 131 Cb 0.36 -1.16 -0.03 0.00 0.45 0.00 0.00 32.46 32.07 3cdg n ARG 131 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3cdg s SER 132 N -2.42 -0.27 -0.04 6.15 1.04 -1.26 -4.81 113.70 112.08 3cdg s SER 132 Ca 0.04 -0.49 -0.02 0.00 0.48 0.00 0.00 55.95 55.97 3cdg s SER 132 Cb 0.10 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.78 3cdg s SER 132 CO 0.56 -1.09 0.08 0.26 0.98 0.00 0.00 173.24 174.03 3cdg s TRP 133 N -3.88 3.32 -0.13 5.02 0.52 -1.26 -1.40 118.94 121.13 3cdg s TRP 133 Ca 0.10 0.26 0.01 0.00 0.02 0.00 0.00 56.10 56.49 3cdg s TRP 133 Cb -0.02 -1.79 0.02 0.00 -1.15 0.00 0.00 33.47 30.54 3cdg s TRP 133 CO -0.02 0.57 -0.15 0.99 0.02 0.00 0.00 176.95 178.36 3cdg s THR 134 N -1.11 1.59 0.72 2.01 2.01 -0.47 -4.92 115.64 115.47 3cdg s THR 134 Ca 0.20 -0.66 -0.13 0.00 0.31 0.00 0.00 61.69 61.40 3cdg s THR 134 Cb -0.12 -1.47 0.03 0.00 0.01 0.00 0.00 72.50 70.96 3cdg s THR 134 CO 0.10 0.46 1.12 0.00 -0.69 0.00 0.00 174.62 175.61 3cdg s ALA 135 N 1.25 2.30 0.08 7.40 0.00 -1.26 -2.26 121.76 129.27 3cdg s ALA 135 Ca -0.00 0.52 -0.01 0.00 0.00 0.00 0.00 51.96 52.46 3cdg s ALA 135 Cb -0.14 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.64 3cdg s ALA 135 CO -0.07 -1.59 -0.02 0.28 0.00 0.00 0.00 175.76 174.36 3cdg n VAL 136 N -2.88 1.23 -2.33 0.00 0.31 -0.59 -4.90 118.33 109.17 3cdg n VAL 136 Ca 0.10 0.38 -0.41 0.00 -0.01 0.00 0.00 64.34 64.41 3cdg n VAL 136 Cb 0.52 -1.63 -0.03 0.00 -0.91 0.00 0.00 33.84 31.79 3cdg n VAL 136 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3cdg s ASP 137 N -5.97 7.05 0.00 4.52 -1.08 -1.26 -4.85 116.67 115.09 3cdg s ASP 137 Ca -0.02 2.36 -0.00 0.00 -0.52 0.00 0.00 52.55 54.36 3cdg s ASP 137 Cb 0.00 -2.62 -0.02 0.00 -1.46 0.00 0.00 42.92 38.82 3cdg s ASP 137 CO 0.03 -0.36 0.71 0.35 0.52 0.00 0.00 175.17 176.43 3cdg n THR 138 N 1.81 0.59 -0.63 1.71 -2.24 -1.26 -0.24 114.28 114.02 3cdg n THR 138 Ca 0.02 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3cdg n THR 138 Cb 0.44 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 3cdg n THR 138 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cdg n ALA 139 N 2.10 0.00 1.21 6.98 0.00 -1.26 -4.78 120.51 124.77 3cdg n ALA 139 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.60 3cdg n ALA 139 Cb 0.16 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.98 3cdg n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cdg n ALA 140 N 0.00 3.13 -0.11 0.00 0.00 0.67 -3.86 120.51 120.34 3cdg n ALA 140 Ca 0.00 -0.38 0.16 0.00 0.00 0.00 0.00 53.44 53.22 3cdg n ALA 140 Cb 0.01 -1.15 0.56 0.00 0.00 0.00 0.00 19.45 18.87 3cdg n ALA 140 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3cdg h GLN 141 N 0.95 0.29 -0.23 0.00 4.20 -1.86 0.67 115.11 119.12 3cdg h GLN 141 Ca 0.00 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 3cdg h GLN 141 Cb 0.49 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 3cdg h GLN 141 CO 0.00 0.19 -0.00 0.82 -0.67 0.00 0.00 178.83 179.17 3cdg h ILE 142 N 0.30 1.26 0.00 2.54 2.04 -1.93 -2.57 117.51 119.14 3cdg h ILE 142 Ca 0.33 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 3cdg h ILE 142 Cb 0.86 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 3cdg h ILE 142 CO -0.08 0.28 -0.21 0.28 0.00 0.00 0.00 178.15 178.42 3cdg h SER 143 N 0.18 0.00 0.13 1.72 0.02 -1.53 -2.71 113.55 111.36 3cdg h SER 143 Ca 0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3cdg h SER 143 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 3cdg h SER 143 CO 0.01 0.21 -0.06 -0.08 -1.14 0.00 0.00 176.83 175.76 3cdg h GLU 144 N 0.00 -0.17 0.00 3.45 4.81 -0.61 -3.05 114.58 119.00 3cdg h GLU 144 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3cdg h GLU 144 Cb 0.70 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.12 3cdg h GLU 144 CO 0.03 -0.12 0.00 0.00 -0.73 0.00 0.00 179.01 178.19 3cdg n GLN 145 N -2.52 0.09 -1.02 1.92 10.64 -1.00 -0.49 117.38 125.01 3cdg n GLN 145 Ca -0.02 0.24 -0.10 0.00 -1.83 0.00 0.00 57.00 55.28 3cdg n GLN 145 Cb 0.07 -1.50 0.25 0.00 -0.86 0.00 0.00 30.24 28.20 3cdg n GLN 145 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 3cdg n LYS 146 N -1.34 2.91 0.00 2.61 4.81 -1.02 -3.19 118.16 122.94 3cdg n LYS 146 Ca 0.04 -3.07 0.00 0.00 -0.87 0.00 0.00 58.31 54.41 3cdg n LYS 146 Cb 0.08 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 33.01 3cdg n LYS 146 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3cdg n SER 147 N -0.65 0.00 0.05 3.14 7.64 0.36 -4.53 113.62 119.64 3cdg n SER 147 Ca 0.45 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 60.20 3cdg n SER 147 Cb 1.40 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 64.51 3cdg n SER 147 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 3cdg h ASN 148 N 0.00 -0.14 0.06 6.43 2.35 -1.20 -0.51 115.58 122.57 3cdg h ASN 148 Ca 0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 3cdg h ASN 148 Cb 0.00 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3cdg h ASN 148 CO 0.00 0.33 -0.15 0.44 -1.65 0.00 0.00 177.43 176.41 3cdg h ASP 149 N -0.66 -0.43 0.00 5.81 3.32 -1.78 -0.70 116.42 121.99 3cdg h ASP 149 Ca -0.02 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3cdg h ASP 149 Cb 0.50 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3cdg h ASP 149 CO 0.03 -0.16 0.30 0.00 -1.72 0.00 0.00 179.24 177.68 3cdg h ALA 150 N -1.34 1.26 -5.70 3.45 0.00 -1.80 -3.45 119.26 111.69 3cdg h ALA 150 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 3cdg h ALA 150 Cb 0.22 0.00 0.16 0.00 0.00 0.00 0.00 17.79 18.17 3cdg h ALA 150 CO -0.06 -0.26 -0.77 0.45 0.00 0.00 0.00 179.25 178.61 3cdg n SER 151 N -2.51 -2.24 0.24 0.00 2.88 -0.27 -4.87 113.62 106.85 3cdg n SER 151 Ca -0.02 -0.63 0.15 0.00 -1.33 0.00 0.00 58.87 57.04 3cdg n SER 151 Cb 0.34 -5.04 0.47 0.00 -0.75 0.00 0.00 64.21 59.22 3cdg n SER 151 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3cdg h GLU 152 N -1.95 0.00 -1.43 -1.46 4.39 -1.58 -3.23 114.58 109.33 3cdg h GLU 152 Ca -0.59 0.00 0.42 0.00 0.34 0.00 0.00 59.36 59.53 3cdg h GLU 152 Cb 1.34 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.91 3cdg h GLU 152 CO 0.51 0.00 1.00 0.00 -1.16 0.00 0.00 179.01 179.36 3cdg h ALA 153 N 2.04 3.16 0.15 3.43 0.00 -1.88 -2.81 119.26 123.36 3cdg h ALA 153 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3cdg h ALA 153 Cb 0.70 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3cdg h ALA 153 CO 0.00 -1.64 -0.07 0.93 0.00 0.00 0.00 179.25 178.47 3cdg h GLU 154 N 0.06 -0.20 -0.12 0.00 3.07 -1.84 -0.07 114.58 115.49 3cdg h GLU 154 Ca 0.73 0.01 0.03 0.00 -0.50 0.00 0.00 59.36 59.64 3cdg h GLU 154 Cb 2.69 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 30.64 3cdg h GLU 154 CO -0.13 -0.13 0.32 0.45 -1.40 0.00 0.00 179.01 178.12 3cdg h HIS 155 N -0.43 0.00 0.00 4.33 3.86 -1.75 0.18 115.15 121.33 3cdg h HIS 155 Ca -0.02 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 3cdg h HIS 155 Cb 0.16 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 3cdg h HIS 155 CO 0.06 0.00 -0.19 1.96 0.86 0.00 0.00 177.93 180.62 3cdg h GLN 156 N 0.00 0.00 -0.60 2.45 1.08 -1.51 -2.25 115.11 114.29 3cdg h GLN 156 Ca 0.05 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.39 3cdg h GLN 156 Cb 0.70 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.09 3cdg h GLN 156 CO -0.00 0.97 0.41 -0.09 -0.95 0.00 0.00 178.83 179.17 3cdg h ARG 157 N -1.00 0.20 -0.05 1.46 2.43 0.65 -1.63 114.38 116.44 3cdg h ARG 157 Ca -0.05 -0.01 -0.24 0.00 -0.81 0.00 0.00 59.98 58.86 3cdg h ARG 157 Cb 1.01 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.53 3cdg h ARG 157 CO -0.03 0.13 -0.93 0.00 -1.51 0.00 0.00 179.97 177.63 3cdg h ALA 158 N 1.71 0.25 0.18 2.80 0.00 -0.76 -3.04 119.26 120.39 3cdg h ALA 158 Ca 0.28 -0.67 0.01 0.00 0.00 0.00 0.00 54.91 54.54 3cdg h ALA 158 Cb 0.84 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3cdg h ALA 158 CO -0.05 0.71 -0.21 -0.92 0.00 0.00 0.00 179.25 178.78 3cdg h TYR 159 N 0.41 -0.56 -0.33 0.00 3.20 -0.67 -0.34 116.97 118.68 3cdg h TYR 159 Ca -0.09 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.79 3cdg h TYR 159 Cb 1.57 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 40.05 3cdg h TYR 159 CO 0.09 -0.31 0.21 -0.07 -1.64 0.00 0.00 178.16 176.43 3cdg h LEU 160 N -0.44 0.35 0.18 2.82 3.38 -1.55 0.30 115.31 120.34 3cdg h LEU 160 Ca 0.01 -0.01 -0.28 0.00 0.09 0.00 0.00 57.88 57.70 3cdg h LEU 160 Cb 0.43 -0.08 0.03 0.00 0.09 0.00 0.00 40.66 41.12 3cdg h LEU 160 CO -0.07 0.26 -1.19 -0.33 0.09 0.00 0.00 178.44 177.20 3cdg h GLU 161 N 0.43 0.50 0.00 1.13 5.08 -1.53 -3.28 114.58 116.90 3cdg h GLU 161 Ca 0.12 -0.77 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 3cdg h GLU 161 Cb -0.04 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3cdg h GLU 161 CO -0.04 1.36 0.00 -0.25 -1.00 0.00 0.00 179.01 179.08 3cdg n ASP 162 N -3.88 0.00 -0.11 1.42 8.00 -0.14 -4.28 116.55 117.56 3cdg n ASP 162 Ca -0.15 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.30 3cdg n ASP 162 Cb 0.97 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 42.08 3cdg n ASP 162 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3cdg h THR 163 N 0.00 0.47 -0.33 -3.53 2.02 -1.53 -1.01 112.91 109.00 3cdg h THR 163 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 3cdg h THR 163 Cb 0.00 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 3cdg h THR 163 CO 0.00 0.00 0.13 0.00 0.37 0.00 0.00 175.52 176.02 3cdg h VAL 165 N 0.28 1.04 -0.70 0.00 2.07 -1.41 -0.23 116.25 117.29 3cdg h VAL 165 Ca 0.14 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.24 3cdg h VAL 165 Cb 0.10 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 3cdg h VAL 165 CO -0.13 0.12 0.46 -0.08 0.02 0.00 0.00 177.57 177.96 3cdg h GLU 166 N -0.34 0.78 -0.04 1.57 4.81 -1.03 -2.40 114.58 117.93 3cdg h GLU 166 Ca -0.01 -0.05 -0.24 0.00 -0.13 0.00 0.00 59.36 58.93 3cdg h GLU 166 Cb 0.29 -0.18 0.02 0.00 0.63 0.00 0.00 28.75 29.51 3cdg h GLU 166 CO 0.02 0.52 -0.93 -1.49 -0.73 0.00 0.00 179.01 176.40 3cdg h TRP 167 N 0.80 1.02 -0.52 0.92 4.06 -0.77 -1.88 115.95 119.58 3cdg h TRP 167 Ca 0.29 -0.52 0.10 0.00 2.06 0.00 0.00 58.89 60.82 3cdg h TRP 167 Cb 0.14 -0.13 -0.10 0.00 -1.00 0.00 0.00 29.16 28.07 3cdg h TRP 167 CO -0.00 1.36 -0.12 1.25 -3.56 0.00 0.00 178.44 177.37 3cdg h LEU 168 N 0.39 -0.45 -0.49 -4.49 5.85 -0.59 0.28 115.31 115.80 3cdg h LEU 168 Ca -0.10 0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3cdg h LEU 168 Cb 1.58 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 42.89 3cdg h LEU 168 CO 0.18 -0.16 0.29 0.45 -0.34 0.00 0.00 178.44 178.87 3cdg h HIS 169 N 0.01 0.55 -0.86 1.25 3.86 -1.41 0.34 115.15 118.90 3cdg h HIS 169 Ca 0.25 0.02 0.16 0.00 -1.16 0.00 0.00 60.37 59.63 3cdg h HIS 169 Cb 0.38 -0.18 -0.07 0.00 1.06 0.00 0.00 27.41 28.61 3cdg h HIS 169 CO -0.42 0.32 0.56 0.87 0.86 0.00 0.00 177.93 180.12 3cdg h LYS 170 N 0.59 0.56 0.03 2.45 1.57 0.03 -2.05 116.57 119.75 3cdg h LYS 170 Ca 0.19 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 3cdg h LYS 170 Cb 0.00 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.19 3cdg h LYS 170 CO -0.08 0.37 -0.28 1.88 -0.57 0.00 0.00 179.45 180.77 3cdg h TYR 171 N 0.57 0.22 -0.47 -1.35 0.05 0.55 -2.83 116.97 113.72 3cdg h TYR 171 Ca 0.43 -0.14 0.14 0.00 0.05 0.00 0.00 58.73 59.21 3cdg h TYR 171 Cb 0.83 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.53 3cdg h TYR 171 CO -0.00 1.03 0.34 -0.07 -1.05 0.00 0.00 178.16 178.41 3cdg h LEU 172 N -0.65 0.00 0.01 3.88 3.38 -0.67 0.39 115.31 121.65 3cdg h LEU 172 Ca -0.04 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3cdg h LEU 172 Cb 1.13 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.89 3cdg h LEU 172 CO 0.05 0.00 -0.34 -0.08 0.09 0.00 0.00 178.44 178.17 3cdg h GLU 173 N 0.00 0.21 -0.79 1.13 4.22 -1.45 -2.03 114.58 115.87 3cdg h GLU 173 Ca 0.22 -0.24 0.02 0.00 0.08 0.00 0.00 59.36 59.44 3cdg h GLU 173 Cb 0.89 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 3cdg h GLU 173 CO -0.00 0.98 0.53 0.87 -2.18 0.00 0.00 179.01 179.20 3cdg h LYS 174 N -0.46 1.02 -0.36 1.92 1.57 -0.81 -2.41 116.57 117.03 3cdg h LYS 174 Ca -0.04 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3cdg h LYS 174 Cb 1.11 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 3cdg h LYS 174 CO 0.07 0.67 0.00 0.41 -0.57 0.00 0.00 179.45 180.03 3cdg n GLY 175 N -1.42 3.75 0.06 3.86 0.00 -0.05 -4.84 105.19 106.55 3cdg n GLY 175 Ca 0.09 -1.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.08 3cdg n GLY 175 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cdg n LYS 176 N -0.18 -0.06 -0.19 1.61 4.81 -0.76 -1.69 118.16 121.69 3cdg n LYS 176 Ca 0.24 0.34 0.08 0.00 -0.87 0.00 0.00 58.31 58.10 3cdg n LYS 176 Cb 1.00 -0.50 0.37 0.00 0.02 0.00 0.00 35.03 35.92 3cdg n LYS 176 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3cdg h GLU 177 N 0.00 0.69 0.00 1.64 3.07 -1.87 -2.42 114.58 115.69 3cdg h GLU 177 Ca 0.02 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3cdg h GLU 177 Cb 0.06 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 27.81 3cdg h GLU 177 CO -0.13 0.46 -0.71 0.25 -1.40 0.00 0.00 179.01 177.48 3cdg n THR 178 N -4.49 1.33 -0.42 1.13 -2.24 -0.68 -3.85 114.28 105.05 3cdg n THR 178 Ca 0.12 0.20 0.35 0.00 -2.27 0.00 0.00 64.05 62.45 3cdg n THR 178 Cb 0.29 -2.29 0.63 0.00 -2.10 0.00 0.00 70.33 66.86 3cdg n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3cdg h LEU 179 N -0.91 0.28 0.00 3.22 4.07 -1.42 -2.19 115.31 118.35 3cdg h LEU 179 Ca 0.00 0.13 -0.33 0.00 0.08 0.00 0.00 57.88 57.77 3cdg h LEU 179 Cb 0.71 0.11 -0.06 0.00 1.08 0.00 0.00 40.66 42.50 3cdg h LEU 179 CO 0.00 -0.15 -2.08 0.18 -1.08 0.00 0.00 178.44 175.31 3cdg n LEU 180 N -4.70 0.38 -4.70 1.67 4.77 -0.91 -4.91 117.00 108.59 3cdg n LEU 180 Ca 0.36 0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 56.09 3cdg n LEU 180 Cb 1.35 0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 42.75 3cdg n LEU 180 CO 0.21 0.44 1.38 -2.28 -1.33 0.00 0.00 177.39 175.80 3cdg s HIS 181 N -2.56 2.48 -0.07 -1.77 2.46 -0.83 -4.98 115.29 110.02 3cdg s HIS 181 Ca -0.08 0.24 -0.21 0.00 0.47 0.00 0.00 55.06 55.48 3cdg s HIS 181 Cb 0.07 -4.07 -0.04 0.00 -0.13 0.00 0.00 32.58 28.41 3cdg s HIS 181 CO 0.83 -4.25 0.62 -0.51 -2.47 0.00 0.00 174.74 168.95 3cdg s LEU 182 N 2.24 4.32 -0.38 8.88 1.43 -1.26 -4.92 118.68 128.99 3cdg s LEU 182 Ca 0.76 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.94 3cdg s LEU 182 Cb -0.44 -2.94 0.11 0.00 0.03 0.00 0.00 46.19 42.94 3cdg s LEU 182 CO 0.34 -0.04 0.14 -0.70 0.23 0.00 0.00 176.35 176.31 3cdg s GLU 183 N 0.58 1.77 0.74 1.70 2.56 -0.88 -4.97 118.70 120.19 3cdg s GLU 183 Ca 0.33 -1.86 -0.13 0.00 0.00 0.00 0.00 54.97 53.31 3cdg s GLU 183 Cb -0.17 -3.42 0.04 0.00 2.00 0.00 0.00 34.13 32.58 3cdg s GLU 183 CO 0.16 -1.02 1.14 -1.25 -0.56 0.00 0.00 175.26 173.73 3cdg s PRO 184 N 1.02 2.27 0.27 4.30 0.04 -1.26 -0.89 135.00 140.74 3cdg s PRO 184 Ca 0.10 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 3cdg s PRO 184 Cb -0.21 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 3cdg s PRO 184 CO -0.06 -1.68 1.05 -1.25 0.04 0.00 0.00 177.00 175.10 3cdg s PRO 185 N -4.28 4.71 -1.17 0.56 0.04 -1.26 -4.53 135.00 129.06 3cdg s PRO 185 Ca 0.68 1.70 -0.17 0.00 0.04 0.00 0.00 61.00 63.24 3cdg s PRO 185 Cb -0.22 -3.21 0.11 0.00 0.04 0.00 0.00 34.50 31.22 3cdg s PRO 185 CO 0.48 0.31 1.50 0.15 0.04 0.00 0.00 177.00 179.48 3cdg s LYS 186 N -1.38 3.90 0.58 4.56 3.01 -0.52 -4.78 119.74 125.11 3cdg s LYS 186 Ca 0.44 -2.02 -0.16 0.00 -1.01 0.00 0.00 55.97 53.21 3cdg s LYS 186 Cb -0.30 -5.26 -0.04 0.00 -1.01 0.00 0.00 37.83 31.21 3cdg s LYS 186 CO 0.38 -2.02 1.05 0.95 0.51 0.00 0.00 175.35 176.22 3cdg s THR 187 N 3.24 3.81 0.00 2.17 -4.23 -1.26 -3.47 115.64 115.91 3cdg s THR 187 Ca 0.46 0.90 0.00 0.00 -1.18 0.00 0.00 61.69 61.87 3cdg s THR 187 Cb -0.00 -3.40 0.00 0.00 1.34 0.00 0.00 72.50 70.44 3cdg s THR 187 CO -0.00 -0.47 0.00 0.00 -0.54 0.00 0.00 174.62 173.61 3cdg n HIS 188 N -1.86 0.00 -3.85 3.99 1.44 -1.16 -5.00 115.22 108.79 3cdg n HIS 188 Ca 0.09 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.49 3cdg n HIS 188 Cb 0.53 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.60 3cdg n HIS 188 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3cdg s VAL 189 N -1.12 5.32 0.15 0.61 1.01 -1.26 -1.57 120.40 123.54 3cdg s VAL 189 Ca 0.00 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.73 3cdg s VAL 189 Cb 0.00 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3cdg s VAL 189 CO 0.00 0.08 -0.11 0.42 0.00 0.00 0.00 175.10 175.49 3cdg s THR 190 N -1.59 1.25 -0.07 3.92 -4.23 -0.93 -4.88 115.64 109.10 3cdg s THR 190 Ca 0.37 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.87 3cdg s THR 190 Cb -0.12 -1.81 -0.03 0.00 1.34 0.00 0.00 72.50 71.88 3cdg s THR 190 CO 0.27 -0.68 -0.09 -2.28 -0.54 0.00 0.00 174.62 171.30 3cdg s HIS 191 N -3.09 2.87 -0.35 3.99 2.46 -1.26 -2.18 115.29 117.73 3cdg s HIS 191 Ca 0.16 -0.08 0.02 0.00 0.47 0.00 0.00 55.06 55.63 3cdg s HIS 191 Cb 0.01 -1.71 0.15 0.00 -0.13 0.00 0.00 32.58 30.90 3cdg s HIS 191 CO 0.02 0.24 0.34 -1.01 -2.47 0.00 0.00 174.74 171.85 3cdg s HIS 192 N -0.66 -0.16 0.25 3.88 3.76 0.27 -4.97 115.29 117.66 3cdg s HIS 192 Ca 0.10 -0.85 -0.31 0.00 -0.15 0.00 0.00 55.06 53.85 3cdg s HIS 192 Cb -0.11 -0.50 -0.12 0.00 1.11 0.00 0.00 32.58 32.96 3cdg s HIS 192 CO 0.01 -0.94 1.63 -0.35 -0.85 0.00 0.00 174.74 174.25 3cdg n PRO 193 N 4.39 2.65 -0.12 8.40 -0.04 -1.26 0.62 135.00 149.64 3cdg n PRO 193 Ca 0.09 0.95 -0.26 0.00 -0.04 0.00 0.00 63.50 64.24 3cdg n PRO 193 Cb 0.44 -2.75 -0.11 0.00 -0.04 0.00 0.00 33.50 31.04 3cdg n PRO 193 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3cdg n ILE 194 N 2.93 1.54 -3.86 0.52 5.41 -0.01 -4.84 119.36 121.06 3cdg n ILE 194 Ca 0.12 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.59 3cdg n ILE 194 Cb 0.35 -1.90 0.00 0.00 -0.71 0.00 0.00 39.64 37.38 3cdg n ILE 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3cdg n SER 195 N -4.23 0.00 0.26 4.38 3.41 -0.95 -4.98 113.62 111.51 3cdg n SER 195 Ca -0.46 -0.90 0.12 0.00 -0.26 0.00 0.00 58.87 57.36 3cdg n SER 195 Cb 0.83 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 65.51 3cdg n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3cdg h ASP 196 N 0.00 0.00 0.02 4.04 3.32 -2.03 -3.29 116.42 118.47 3cdg h ASP 196 Ca 0.00 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.66 3cdg h ASP 196 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 3cdg h ASP 196 CO 0.00 0.09 -2.39 1.41 -1.72 0.00 0.00 179.24 176.63 3cdg n HIS 197 N -3.88 0.21 -4.41 4.55 8.25 -1.26 -4.79 115.22 113.89 3cdg n HIS 197 Ca -0.02 0.05 -0.30 0.00 -0.26 0.00 0.00 57.72 57.18 3cdg n HIS 197 Cb 0.19 -1.03 -0.11 0.00 1.12 0.00 0.00 29.99 30.16 3cdg n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3cdg s GLU 198 N -2.52 2.04 0.03 -0.41 2.02 -1.24 -1.00 118.70 117.60 3cdg s GLU 198 Ca -0.33 -1.03 0.01 0.00 0.02 0.00 0.00 54.97 53.64 3cdg s GLU 198 Cb 0.09 -2.22 -0.02 0.00 0.10 0.00 0.00 34.13 32.07 3cdg s GLU 198 CO 0.62 0.52 -0.06 0.00 0.02 0.00 0.00 175.26 176.36 3cdg s ALA 199 N -1.08 0.42 -0.18 5.21 0.00 0.19 -0.83 121.76 125.49 3cdg s ALA 199 Ca 0.18 -0.62 -0.15 0.00 0.00 0.00 0.00 51.96 51.37 3cdg s ALA 199 Cb -0.11 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 3cdg s ALA 199 CO 0.09 -0.04 0.33 0.99 0.00 0.00 0.00 175.76 177.14 3cdg s THR 200 N -1.18 5.26 -0.42 0.00 2.01 0.20 0.04 115.64 121.56 3cdg s THR 200 Ca -0.10 0.61 -0.12 0.00 0.31 0.00 0.00 61.69 62.39 3cdg s THR 200 Cb -0.09 -3.67 0.05 0.00 0.01 0.00 0.00 72.50 68.80 3cdg s THR 200 CO -0.00 0.33 0.28 -0.76 -0.69 0.00 0.00 174.62 173.78 3cdg s LEU 201 N 0.84 5.11 -0.37 4.42 1.43 0.68 -0.57 118.68 130.22 3cdg s LEU 201 Ca 0.17 -1.18 -0.09 0.00 -1.03 0.00 0.00 54.13 52.00 3cdg s LEU 201 Cb -0.14 -2.08 0.04 0.00 0.03 0.00 0.00 46.19 44.04 3cdg s LEU 201 CO 0.06 -0.50 0.18 -0.60 0.23 0.00 0.00 176.35 175.73 3cdg s ARG 202 N 1.57 2.72 -0.22 1.70 3.52 -0.93 -0.96 118.95 126.36 3cdg s ARG 202 Ca 0.03 -1.17 -0.23 0.00 -0.13 0.00 0.00 55.73 54.23 3cdg s ARG 202 Cb -0.21 -3.66 -0.01 0.00 -1.56 0.00 0.00 34.95 29.51 3cdg s ARG 202 CO 0.06 -0.73 0.74 0.00 -0.81 0.00 0.00 175.30 174.57 3cdg s TRP 204 N 2.40 3.42 -0.17 0.00 0.52 -0.61 -1.63 118.94 122.87 3cdg s TRP 204 Ca 0.32 0.07 -0.04 0.00 0.02 0.00 0.00 56.10 56.47 3cdg s TRP 204 Cb -0.16 -1.62 0.08 0.00 -1.15 0.00 0.00 33.47 30.63 3cdg s TRP 204 CO 0.09 0.50 0.24 0.00 0.02 0.00 0.00 176.95 177.81 3cdg s ALA 205 N -1.79 -0.40 0.30 0.98 0.00 -0.82 -3.01 121.76 117.02 3cdg s ALA 205 Ca 0.34 0.52 0.11 0.00 0.00 0.00 0.00 51.96 52.93 3cdg s ALA 205 Cb -0.10 -1.22 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 3cdg s ALA 205 CO 0.28 -0.99 -0.15 -0.51 0.00 0.00 0.00 175.76 174.38 3cdg s LEU 206 N 2.37 2.68 -1.34 0.00 1.43 -1.23 -2.09 118.68 120.50 3cdg s LEU 206 Ca 0.05 -1.07 -0.21 0.00 -1.03 0.00 0.00 54.13 51.88 3cdg s LEU 206 Cb -0.14 -1.10 0.03 0.00 0.03 0.00 0.00 46.19 45.00 3cdg s LEU 206 CO -0.11 -0.05 0.39 0.61 0.23 0.00 0.00 176.35 177.42 3cdg n GLY 207 N -0.70 -0.52 3.55 -3.19 0.00 -0.22 -1.43 105.19 102.67 3cdg n GLY 207 Ca -0.05 0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 3cdg n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cdg s PHE 208 N -3.90 2.41 -0.28 1.61 -0.71 -1.14 -4.62 117.98 111.36 3cdg s PHE 208 Ca 0.29 -0.50 -0.22 0.00 -1.04 0.00 0.00 56.93 55.46 3cdg s PHE 208 Cb -0.16 -1.39 0.09 0.00 -1.21 0.00 0.00 43.02 40.35 3cdg s PHE 208 CO 0.97 0.58 0.80 -0.47 -1.34 0.00 0.00 175.22 175.77 3cdg s TYR 209 N -2.61 -0.78 0.00 3.49 6.14 -0.07 -0.09 117.35 123.43 3cdg s TYR 209 Ca 0.33 1.74 0.00 0.00 0.64 0.00 0.00 57.07 59.78 3cdg s TYR 209 Cb 0.03 0.40 0.00 0.00 0.42 0.00 0.00 41.96 42.81 3cdg s TYR 209 CO 0.17 -0.38 0.00 -0.35 0.64 0.00 0.00 175.55 175.63 3cdg n PRO 210 N 3.16 -1.36 0.03 4.97 -0.04 -1.26 -2.07 135.00 138.43 3cdg n PRO 210 Ca -0.16 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.41 3cdg n PRO 210 Cb 0.57 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.04 3cdg n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cdg n ALA 211 N -3.00 3.28 -1.78 0.55 0.00 -1.26 -4.85 120.51 113.44 3cdg n ALA 211 Ca 0.00 -0.39 -0.41 0.00 0.00 0.00 0.00 53.44 52.64 3cdg n ALA 211 Cb 0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 3cdg n ALA 211 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3cdg s GLU 212 N -3.22 4.31 0.00 0.00 2.56 -1.26 -4.96 118.70 116.12 3cdg s GLU 212 Ca 0.03 2.28 0.00 0.00 0.00 0.00 0.00 54.97 57.28 3cdg s GLU 212 Cb 0.14 -3.06 0.00 0.00 2.00 0.00 0.00 34.13 33.21 3cdg s GLU 212 CO 0.80 -0.26 0.00 1.51 -0.56 0.00 0.00 175.26 176.75 3cdg n ILE 213 N 0.92 0.00 0.14 -3.70 3.06 -1.26 -4.69 119.36 113.82 3cdg n ILE 213 Ca 0.01 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.26 3cdg n ILE 213 Cb 0.41 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.59 3cdg n ILE 213 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 3cdg n THR 214 N 0.00 0.00 -2.15 9.51 -1.04 -1.05 -4.91 114.28 114.64 3cdg n THR 214 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3cdg n THR 214 Cb 0.00 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 3cdg n THR 214 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3cdg n LEU 215 N -3.16 -2.87 -3.94 -4.42 4.77 -1.23 -4.93 117.00 101.22 3cdg n LEU 215 Ca 0.00 1.82 -0.11 0.00 -0.03 0.00 0.00 56.01 57.69 3cdg n LEU 215 Cb 0.00 -2.26 -0.12 0.00 -2.33 0.00 0.00 43.42 38.70 3cdg n LEU 215 CO 0.00 -2.11 -0.37 0.42 -1.33 0.00 0.00 177.39 174.00 3cdg s THR 216 N -0.26 0.11 -0.14 -5.08 -4.23 -0.89 -4.94 115.64 100.22 3cdg s THR 216 Ca 0.00 -0.50 -0.07 0.00 -1.18 0.00 0.00 61.69 59.94 3cdg s THR 216 Cb 0.00 -0.19 -0.04 0.00 1.34 0.00 0.00 72.50 73.61 3cdg s THR 216 CO 0.00 -0.24 0.10 0.26 -0.54 0.00 0.00 174.62 174.20 3cdg s TRP 217 N -0.76 3.43 0.28 3.99 0.52 -1.26 0.40 118.94 125.54 3cdg s TRP 217 Ca -0.08 0.36 0.01 0.00 0.02 0.00 0.00 56.10 56.41 3cdg s TRP 217 Cb -0.05 -1.97 -0.02 0.00 -1.15 0.00 0.00 33.47 30.27 3cdg s TRP 217 CO -0.00 0.52 0.30 -0.65 0.02 0.00 0.00 176.95 177.13 3cdg s GLN 218 N -0.55 1.60 0.05 4.98 -0.21 -0.68 -3.50 119.66 121.35 3cdg s GLN 218 Ca 0.12 -1.77 -0.01 0.00 0.02 0.00 0.00 55.36 53.72 3cdg s GLN 218 Cb -0.12 0.35 0.00 0.00 1.00 0.00 0.00 33.01 34.24 3cdg s GLN 218 CO 0.02 -0.60 0.08 0.00 -2.12 0.00 0.00 175.29 172.67 3cdg n GLN 219 N -0.48 0.11 -1.34 2.91 10.64 -0.78 0.32 117.38 128.76 3cdg n GLN 219 Ca 0.03 -0.37 -0.46 0.00 -1.83 0.00 0.00 57.00 54.38 3cdg n GLN 219 Cb 0.63 0.38 -0.02 0.00 -0.86 0.00 0.00 30.24 30.36 3cdg n GLN 219 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 3cdg n ASP 220 N -1.86 -1.50 0.00 2.61 -0.08 0.28 -0.75 116.55 115.25 3cdg n ASP 220 Ca -0.00 1.04 0.00 0.00 -1.51 0.00 0.00 54.79 54.32 3cdg n ASP 220 Cb 0.08 -0.91 0.00 0.00 2.34 0.00 0.00 41.12 42.63 3cdg n ASP 220 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3cdg n GLY 221 N 2.00 2.06 0.00 0.27 0.00 -1.26 -4.94 105.19 103.32 3cdg n GLY 221 Ca 0.16 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3cdg n GLY 221 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cdg n GLU 222 N 0.00 0.00 -1.98 1.61 1.02 0.07 -5.15 120.64 116.21 3cdg n GLU 222 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 3cdg n GLU 222 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 3cdg n GLU 222 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3cdg s GLY 223 N 0.00 2.97 0.00 0.62 0.00 -1.26 -1.87 107.32 107.78 3cdg s GLY 223 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 44.72 46.10 3cdg s GLY 223 CO 0.00 2.04 0.00 1.57 0.00 0.00 0.00 173.10 176.71 3cdg n HIS 224 N 0.58 0.00 -1.81 1.90 -0.00 -1.23 -4.89 115.22 109.77 3cdg n HIS 224 Ca 0.01 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.79 3cdg n HIS 224 Cb 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.39 3cdg n HIS 224 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 3cdg n THR 225 N 0.00 0.00 0.00 3.57 -2.24 -1.26 -4.47 114.28 109.88 3cdg n THR 225 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3cdg n THR 225 Cb 0.00 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 3cdg n THR 225 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3cdg n GLN 226 N -1.90 0.00 0.00 -0.78 7.27 -1.26 -4.97 117.38 115.74 3cdg n GLN 226 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3cdg n GLN 226 Cb 0.19 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.84 3cdg n GLN 226 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3cdg n ASP 227 N 0.00 0.00 -4.75 1.69 8.00 -1.26 -4.99 116.55 115.23 3cdg n ASP 227 Ca 0.00 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.23 3cdg n ASP 227 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 3cdg n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3cdg s THR 228 N -2.00 4.27 -0.02 -3.53 2.01 -1.26 -3.18 115.64 111.93 3cdg s THR 228 Ca 0.00 -1.11 0.06 0.00 0.31 0.00 0.00 61.69 60.94 3cdg s THR 228 Cb 0.00 -3.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.35 3cdg s THR 228 CO 0.00 -0.06 -0.19 -0.70 -0.69 0.00 0.00 174.62 172.98 3cdg s GLU 229 N -2.90 1.60 -0.04 4.92 2.12 -0.48 -5.01 118.70 118.91 3cdg s GLU 229 Ca 0.29 -0.68 0.01 0.00 0.36 0.00 0.00 54.97 54.95 3cdg s GLU 229 Cb -0.10 -1.52 0.02 0.00 0.26 0.00 0.00 34.13 32.79 3cdg s GLU 229 CO 0.22 0.40 -0.03 -1.17 -0.54 0.00 0.00 175.26 174.13 3cdg s LEU 230 N -0.40 1.28 0.13 2.70 2.96 -1.26 -1.28 118.68 122.80 3cdg s LEU 230 Ca 0.06 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.92 3cdg s LEU 230 Cb -0.08 -0.38 -0.04 0.00 0.50 0.00 0.00 46.19 46.20 3cdg s LEU 230 CO -0.00 -0.07 0.13 0.68 -1.32 0.00 0.00 176.35 175.76 3cdg s VAL 231 N 0.95 4.58 0.24 1.68 -7.23 -1.12 -5.06 120.40 114.45 3cdg s VAL 231 Ca -0.11 -0.92 -0.31 0.00 -1.81 0.00 0.00 61.98 58.83 3cdg s VAL 231 Cb -0.14 -3.29 -0.12 0.00 0.56 0.00 0.00 36.38 33.39 3cdg s VAL 231 CO -0.00 -0.02 1.68 1.21 -0.31 0.00 0.00 175.10 177.66 3cdg n GLU 232 N -0.05 2.78 -1.56 4.82 2.13 -1.26 -4.59 120.64 122.90 3cdg n GLU 232 Ca -0.08 1.00 -0.47 0.00 0.66 0.00 0.00 57.16 58.26 3cdg n GLU 232 Cb 0.53 -2.82 -0.05 0.00 0.27 0.00 0.00 31.44 29.37 3cdg n GLU 232 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3cdg n THR 233 N 3.27 0.34 -4.04 6.31 -1.04 -1.26 -4.88 114.28 112.99 3cdg n THR 233 Ca 0.13 -0.30 -0.29 0.00 -2.04 0.00 0.00 64.05 61.56 3cdg n THR 233 Cb 0.36 -2.05 -0.06 0.00 -1.82 0.00 0.00 70.33 66.76 3cdg n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cdg s ARG 234 N 5.76 2.98 0.13 -2.82 1.70 0.02 -4.93 118.95 121.79 3cdg s ARG 234 Ca 1.02 -0.72 -0.25 0.00 -0.47 0.00 0.00 55.73 55.31 3cdg s ARG 234 Cb -0.62 -2.75 -0.07 0.00 -0.57 0.00 0.00 34.95 30.94 3cdg s ARG 234 CO 0.44 0.54 0.76 -1.25 -1.08 0.00 0.00 175.30 174.71 3cdg s PRO 235 N -2.71 4.53 0.09 3.89 0.04 -1.26 -0.84 135.00 138.74 3cdg s PRO 235 Ca 0.31 1.11 -0.00 0.00 0.04 0.00 0.00 61.00 62.45 3cdg s PRO 235 Cb -0.11 -3.28 -0.25 0.00 0.04 0.00 0.00 34.50 30.89 3cdg s PRO 235 CO 0.24 0.51 1.19 0.00 0.04 0.00 0.00 177.00 178.98 3cdg h ALA 236 N 4.63 0.19 0.00 8.56 0.00 -1.56 -3.47 119.26 127.61 3cdg h ALA 236 Ca -0.47 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 53.56 3cdg h ALA 236 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3cdg h ALA 236 CO 0.67 1.06 0.00 0.41 0.00 0.00 0.00 179.25 181.39 3cdg n GLY 237 N 1.45 2.33 0.85 0.00 0.00 -1.26 -4.90 105.19 103.66 3cdg n GLY 237 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.02 3cdg n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cdg n ASP 238 N 0.00 2.44 0.00 1.61 5.68 -1.26 -4.88 116.55 120.15 3cdg n ASP 238 Ca 0.00 -2.10 0.00 0.00 -0.50 0.00 0.00 54.79 52.19 3cdg n ASP 238 Cb 0.00 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.64 3cdg n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3cdg n GLY 239 N 0.99 3.44 2.25 6.12 0.00 -1.26 -5.05 105.19 111.68 3cdg n GLY 239 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 3cdg n GLY 239 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cdg n THR 240 N -1.86 0.00 -4.36 2.61 -2.24 -1.26 -4.89 114.28 102.28 3cdg n THR 240 Ca 0.00 -0.97 -0.19 0.00 -2.27 0.00 0.00 64.05 60.62 3cdg n THR 240 Cb 0.00 -0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 67.19 3cdg n THR 240 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3cdg n PHE 241 N -2.08 -0.03 -3.68 4.78 3.01 0.87 -1.51 117.46 118.82 3cdg n PHE 241 Ca 0.10 -2.08 -0.14 0.00 1.01 0.00 0.00 57.45 56.34 3cdg n PHE 241 Cb 0.34 0.04 -0.08 0.00 -0.01 0.00 0.00 39.48 39.77 3cdg n PHE 241 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3cdg s GLN 242 N -3.19 0.68 0.05 -1.08 -0.21 -0.02 -1.05 119.66 114.84 3cdg s GLN 242 Ca 0.19 0.72 -0.13 0.00 0.02 0.00 0.00 55.36 56.16 3cdg s GLN 242 Cb 0.01 0.33 0.02 0.00 1.00 0.00 0.00 33.01 34.37 3cdg s GLN 242 CO 0.13 -0.09 0.29 0.21 -2.12 0.00 0.00 175.29 173.71 3cdg s LYS 243 N 0.17 0.80 -0.02 2.91 2.20 -0.89 -0.80 119.74 124.11 3cdg s LYS 243 Ca -0.01 -0.54 -0.09 0.00 -0.36 0.00 0.00 55.97 54.96 3cdg s LYS 243 Cb -0.04 0.35 0.01 0.00 -1.51 0.00 0.00 37.83 36.64 3cdg s LYS 243 CO 0.01 -0.26 0.21 1.67 -0.36 0.00 0.00 175.35 176.62 3cdg s TRP 244 N -2.64 -0.09 -0.09 4.03 1.48 -1.26 -1.95 118.94 118.41 3cdg s TRP 244 Ca -0.04 0.16 0.01 0.00 -1.06 0.00 0.00 56.10 55.17 3cdg s TRP 244 Cb -0.01 0.02 0.02 0.00 -1.16 0.00 0.00 33.47 32.35 3cdg s TRP 244 CO -0.04 -0.27 -0.12 0.00 -4.06 0.00 0.00 176.95 172.46 3cdg s ALA 245 N -1.00 1.40 0.35 2.67 0.00 -0.65 -2.78 121.76 121.75 3cdg s ALA 245 Ca -0.11 -0.54 0.09 0.00 0.00 0.00 0.00 51.96 51.40 3cdg s ALA 245 Cb -0.06 -0.75 -0.06 0.00 0.00 0.00 0.00 23.12 22.26 3cdg s ALA 245 CO 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 175.76 175.65 3cdg s ALA 246 N 1.08 3.12 -0.02 0.00 0.00 -0.41 -0.07 121.76 125.47 3cdg s ALA 246 Ca -0.06 -2.04 -0.12 0.00 0.00 0.00 0.00 51.96 49.73 3cdg s ALA 246 Cb -0.15 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.78 3cdg s ALA 246 CO -0.02 0.05 0.26 0.54 0.00 0.00 0.00 175.76 176.59 3cdg s VAL 247 N -2.57 0.06 0.04 0.00 0.11 -0.13 -1.38 120.40 116.53 3cdg s VAL 247 Ca 0.34 -0.50 -0.15 0.00 -2.93 0.00 0.00 61.98 58.74 3cdg s VAL 247 Cb 0.02 -0.54 -0.06 0.00 -1.53 0.00 0.00 36.38 34.26 3cdg s VAL 247 CO 0.18 -0.27 0.45 -0.69 -3.33 0.00 0.00 175.10 171.44 3cdg s VAL 248 N -1.22 4.96 -0.03 2.04 1.01 -1.19 -0.23 120.40 125.74 3cdg s VAL 248 Ca -0.13 0.88 0.00 0.00 0.00 0.00 0.00 61.98 62.73 3cdg s VAL 248 Cb -0.06 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.60 3cdg s VAL 248 CO 0.03 0.51 -0.00 -0.69 0.00 0.00 0.00 175.10 174.95 3cdg s VAL 249 N -1.15 0.19 0.04 2.92 1.01 0.11 -4.95 120.40 118.56 3cdg s VAL 249 Ca 0.27 0.06 -0.34 0.00 0.00 0.00 0.00 61.98 61.97 3cdg s VAL 249 Cb -0.17 -0.27 -0.13 0.00 0.00 0.00 0.00 36.38 35.81 3cdg s VAL 249 CO 0.16 0.14 1.71 -2.65 0.00 0.00 0.00 175.10 174.46 3cdg n PRO 250 N 4.05 2.13 -1.55 2.72 -0.02 -1.26 -0.64 135.00 140.43 3cdg n PRO 250 Ca -0.26 0.77 -0.40 0.00 -2.02 0.00 0.00 63.50 61.59 3cdg n PRO 250 Cb 0.51 -2.57 0.02 0.00 -0.02 0.00 0.00 33.50 31.44 3cdg n PRO 250 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3cdg n SER 251 N 4.86 0.24 0.00 2.55 7.64 -0.17 -2.41 113.62 126.31 3cdg n SER 251 Ca 0.20 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.97 3cdg n SER 251 Cb 0.29 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 3cdg n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cdg n GLY 252 N 1.45 2.76 0.13 0.23 0.00 -1.26 -4.82 105.19 103.68 3cdg n GLY 252 Ca 0.11 -0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.27 3cdg n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cdg n GLU 253 N 0.00 0.88 -0.31 1.61 1.02 -1.01 -4.45 120.64 118.38 3cdg n GLU 253 Ca 0.00 -0.26 0.26 0.00 -0.02 0.00 0.00 57.16 57.14 3cdg n GLU 253 Cb 0.00 -1.49 0.48 0.00 -0.02 0.00 0.00 31.44 30.41 3cdg n GLU 253 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3cdg n GLU 254 N -0.84 -0.06 0.00 3.49 4.71 -1.26 0.26 120.64 126.94 3cdg n GLU 254 Ca 0.17 1.35 0.11 0.00 -0.01 0.00 0.00 57.16 58.79 3cdg n GLU 254 Cb 0.24 -2.35 0.63 0.00 -1.01 0.00 0.00 31.44 28.96 3cdg n GLU 254 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3cdg n GLN 255 N -5.24 0.97 0.08 3.49 3.00 -1.26 -2.11 117.38 116.30 3cdg n GLN 255 Ca 0.32 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 57.19 3cdg n GLN 255 Cb 1.09 -1.34 -0.05 0.00 0.00 0.00 0.00 30.24 29.93 3cdg n GLN 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3cdg h ARG 256 N 0.00 0.30 -6.64 -1.09 3.08 -0.54 -3.47 114.38 106.02 3cdg h ARG 256 Ca 0.00 -0.36 -0.51 0.00 0.07 0.00 0.00 59.98 59.18 3cdg h ARG 256 Cb 0.00 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3cdg h ARG 256 CO 0.00 1.08 0.13 0.71 -1.07 0.00 0.00 179.97 180.81 3cdg s TYR 257 N -3.11 3.58 0.06 3.04 1.51 -0.90 -0.56 117.35 120.97 3cdg s TYR 257 Ca -0.04 1.38 0.02 0.00 -1.01 0.00 0.00 57.07 57.41 3cdg s TYR 257 Cb 0.09 -2.62 -0.03 0.00 -0.11 0.00 0.00 41.96 39.28 3cdg s TYR 257 CO 0.86 0.26 -0.07 0.95 -1.11 0.00 0.00 175.55 176.43 3cdg s THR 258 N -1.66 0.55 -0.14 -0.71 -4.23 0.15 -4.63 115.64 104.97 3cdg s THR 258 Ca 0.47 -1.39 0.02 0.00 -1.18 0.00 0.00 61.69 59.61 3cdg s THR 258 Cb -0.15 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.71 3cdg s THR 258 CO 0.20 -0.58 -0.19 0.00 -0.54 0.00 0.00 174.62 173.51 3cdg s HIS 260 N 0.77 3.38 -0.30 0.00 3.76 0.16 -1.58 115.29 121.49 3cdg s HIS 260 Ca -0.07 -1.71 -0.22 0.00 -0.15 0.00 0.00 55.06 52.91 3cdg s HIS 260 Cb -0.16 -3.02 -0.01 0.00 1.11 0.00 0.00 32.58 30.50 3cdg s HIS 260 CO -0.00 -0.88 0.72 0.08 -0.85 0.00 0.00 174.74 173.80 3cdg s VAL 261 N 1.37 4.87 -0.23 -0.90 1.01 -1.03 -2.08 120.40 123.40 3cdg s VAL 261 Ca 0.04 1.09 -0.05 0.00 0.00 0.00 0.00 61.98 63.06 3cdg s VAL 261 Cb -0.23 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 3cdg s VAL 261 CO 0.01 -0.17 0.00 -1.10 0.00 0.00 0.00 175.10 173.84 3cdg s GLN 262 N 2.78 3.50 0.15 2.72 -0.21 -1.26 -2.28 119.66 125.05 3cdg s GLN 262 Ca 0.29 -0.56 -0.02 0.00 0.02 0.00 0.00 55.36 55.09 3cdg s GLN 262 Cb -0.15 -3.13 -0.04 0.00 1.00 0.00 0.00 33.01 30.70 3cdg s GLN 262 CO 0.11 -0.18 0.10 -1.58 -2.12 0.00 0.00 175.29 171.62 3cdg s HIS 263 N 1.50 0.85 -0.38 0.91 2.46 -1.26 -2.53 115.29 116.84 3cdg s HIS 263 Ca 0.06 -1.20 0.23 0.00 0.47 0.00 0.00 55.06 54.62 3cdg s HIS 263 Cb -0.15 -0.44 0.23 0.00 -0.13 0.00 0.00 32.58 32.10 3cdg s HIS 263 CO -0.00 -0.57 1.40 1.49 -2.47 0.00 0.00 174.74 174.59 3cdg h GLU 264 N 2.78 0.00 -0.02 2.88 4.81 -1.94 -3.19 114.58 119.90 3cdg h GLU 264 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 3cdg h GLU 264 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3cdg h GLU 264 CO 0.56 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.25 3cdg n GLY 265 N 1.14 -0.63 3.64 1.92 0.00 -1.26 -4.80 105.19 105.20 3cdg n GLY 265 Ca 0.03 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 3cdg n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cdg s LEU 266 N -1.89 3.64 0.14 0.99 1.43 -1.21 -4.34 118.68 117.43 3cdg s LEU 266 Ca 0.41 0.09 -0.28 0.00 -1.03 0.00 0.00 54.13 53.31 3cdg s LEU 266 Cb 0.20 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 3cdg s LEU 266 CO 0.33 0.27 1.58 -0.65 0.23 0.00 0.00 176.35 178.11 3cdg h PRO 267 N 5.98 -0.44 -3.20 1.29 0.11 -1.89 -3.44 132.00 130.42 3cdg h PRO 267 Ca -0.42 0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.65 3cdg h PRO 267 Cb 1.19 0.10 -0.15 0.00 0.11 0.00 0.00 31.00 32.25 3cdg h PRO 267 CO 0.62 -0.29 -0.10 -1.83 -0.21 0.00 0.00 178.00 176.19 3cdg s GLU 268 N -5.88 0.98 0.08 1.05 -1.05 -1.26 -5.14 118.70 107.47 3cdg s GLU 268 Ca -0.15 -0.52 -0.34 0.00 -0.15 0.00 0.00 54.97 53.80 3cdg s GLU 268 Cb 0.10 0.43 -0.18 0.00 -0.44 0.00 0.00 34.13 34.04 3cdg s GLU 268 CO 0.64 -0.36 0.83 -0.35 0.95 0.00 0.00 175.26 176.98 3cdg n PRO 269 N 0.19 0.00 -2.39 -4.83 -0.04 -1.26 -4.98 135.00 121.68 3cdg n PRO 269 Ca -0.17 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.05 3cdg n PRO 269 Cb 0.61 -1.27 0.06 0.00 -0.04 0.00 0.00 33.50 32.87 3cdg n PRO 269 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3cdg s VAL 270 N -0.39 2.40 -0.14 0.52 1.01 -0.97 -4.92 120.40 117.92 3cdg s VAL 270 Ca 0.79 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 62.24 3cdg s VAL 270 Cb -1.11 -2.96 0.05 0.00 0.00 0.00 0.00 36.38 32.36 3cdg s VAL 270 CO 0.55 0.00 0.34 -0.89 0.00 0.00 0.00 175.10 175.10 3cdg s THR 271 N -3.08 -0.02 0.34 3.92 2.01 -1.25 -2.46 115.64 115.10 3cdg s THR 271 Ca 0.60 0.08 0.09 0.00 0.31 0.00 0.00 61.69 62.78 3cdg s THR 271 Cb -0.10 -0.50 -0.06 0.00 0.01 0.00 0.00 72.50 71.86 3cdg s THR 271 CO 0.43 0.03 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.60 3cdg s LEU 272 N 1.00 2.88 0.00 4.42 2.01 -0.61 -4.90 118.68 123.48 3cdg s LEU 272 Ca -0.07 -1.08 0.00 0.00 0.01 0.00 0.00 54.13 52.99 3cdg s LEU 272 Cb -0.07 -1.20 0.00 0.00 0.01 0.00 0.00 46.19 44.92 3cdg s LEU 272 CO -0.08 -0.23 0.00 -1.14 1.01 0.00 0.00 176.35 175.92 3cdg n ARG 273 N -0.89 0.00 -0.02 1.70 0.63 -1.26 -2.37 116.66 114.46 3cdg n ARG 273 Ca -0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 3cdg n ARG 273 Cb 0.63 -0.07 0.00 0.00 0.45 0.00 0.00 32.46 33.47 3cdg n ARG 273 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99