#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 1.35 -0.07 1.43 0.09 -1.21 -4.98 115.29 111.90 3cdg s HIS 3 Ca 0.00 -1.43 -0.18 0.00 -0.00 0.00 0.00 55.06 53.44 3cdg s HIS 3 Cb 0.00 -0.64 0.04 0.00 -0.00 0.00 0.00 32.58 31.98 3cdg s HIS 3 CO 0.00 -0.67 0.43 -1.54 -0.00 0.00 0.00 174.74 172.96 3cdg s SER 4 N -3.23 -0.37 -0.35 1.40 1.04 -1.26 -1.11 113.70 109.83 3cdg s SER 4 Ca 0.39 0.46 0.01 0.00 0.48 0.00 0.00 55.95 57.30 3cdg s SER 4 Cb 0.06 0.54 0.09 0.00 0.10 0.00 0.00 66.02 66.82 3cdg s SER 4 CO 0.16 -0.39 0.07 -0.22 0.98 0.00 0.00 173.24 173.84 3cdg s LEU 5 N -0.82 4.66 -0.03 2.42 2.96 -0.97 -1.04 118.68 125.85 3cdg s LEU 5 Ca -0.09 -1.94 0.02 0.00 -0.22 0.00 0.00 54.13 51.90 3cdg s LEU 5 Cb -0.04 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 3cdg s LEU 5 CO 0.04 -0.39 -0.07 -0.54 -1.32 0.00 0.00 176.35 174.08 3cdg s LYS 6 N 1.03 2.66 -0.00 1.98 1.02 0.02 -2.36 119.74 124.09 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 -2.55 -0.02 0.00 -0.52 0.00 0.00 37.83 34.54 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 -0.91 1.66 -0.15 3.18 1.51 -0.39 -0.24 117.35 122.01 3cdg s TYR 7 Ca 0.15 -0.32 -0.00 0.00 -1.01 0.00 0.00 57.07 55.88 3cdg s TYR 7 Cb -0.11 -1.05 0.03 0.00 -0.11 0.00 0.00 41.96 40.73 3cdg s TYR 7 CO 0.05 -0.00 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.34 3cdg s PHE 8 N -0.52 1.82 -0.14 2.71 0.40 -0.11 -2.69 117.98 119.45 3cdg s PHE 8 Ca 0.07 -1.09 -0.00 0.00 -0.60 0.00 0.00 56.93 55.30 3cdg s PHE 8 Cb -0.07 -1.38 -0.01 0.00 0.51 0.00 0.00 43.02 42.06 3cdg s PHE 8 CO -0.00 -0.62 -0.13 -1.01 0.70 0.00 0.00 175.22 174.17 3cdg s HIS 9 N 1.60 2.82 -0.08 0.36 3.76 0.62 -1.74 115.29 122.62 3cdg s HIS 9 Ca 0.02 -0.71 0.01 0.00 -0.15 0.00 0.00 55.06 54.23 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 -0.08 -0.27 -0.10 0.99 -0.85 0.00 0.00 174.74 174.43 3cdg s THR 10 N 0.49 1.06 -0.20 1.30 2.01 0.26 -0.90 115.64 119.66 3cdg s THR 10 Ca -0.09 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.53 3cdg s THR 10 Cb -0.16 -1.02 0.05 0.00 0.01 0.00 0.00 72.50 71.38 3cdg s THR 10 CO 0.04 0.35 -0.08 -0.55 -0.69 0.00 0.00 174.62 173.70 3cdg s SER 11 N 1.12 3.45 -0.14 3.53 0.15 0.31 0.02 113.70 122.14 3cdg s SER 11 Ca -0.06 -0.94 -0.04 0.00 0.70 0.00 0.00 55.95 55.60 3cdg s SER 11 Cb -0.14 -1.17 -0.03 0.00 -1.71 0.00 0.00 66.02 62.97 3cdg s SER 11 CO -0.02 -0.18 0.02 -0.69 1.20 0.00 0.00 173.24 173.57 3cdg s VAL 12 N 1.43 4.41 0.15 4.45 1.01 0.21 -0.74 120.40 131.33 3cdg s VAL 12 Ca -0.02 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 3cdg s VAL 12 Cb -0.17 -2.92 -0.06 0.00 0.00 0.00 0.00 36.38 33.23 3cdg s VAL 12 CO -0.07 0.53 0.40 -0.94 0.00 0.00 0.00 175.10 175.02 3cdg s SER 13 N -0.17 6.52 -0.27 3.32 1.04 -0.64 -0.09 113.70 123.40 3cdg s SER 13 Ca 0.06 0.64 -0.02 0.00 0.48 0.00 0.00 55.95 57.10 3cdg s SER 13 Cb -0.12 -2.11 0.09 0.00 0.10 0.00 0.00 66.02 63.97 3cdg s SER 13 CO 0.02 0.04 0.09 -0.13 0.98 0.00 0.00 173.24 174.25 3cdg s ARG 14 N -2.63 0.51 0.29 4.02 0.52 -1.26 -4.21 118.95 116.19 3cdg s ARG 14 Ca 0.41 -0.71 0.04 0.00 -0.52 0.00 0.00 55.73 54.96 3cdg s ARG 14 Cb -0.12 -1.75 0.72 0.00 0.52 0.00 0.00 34.95 34.31 3cdg s ARG 14 CO 0.24 -0.90 1.73 -1.35 0.02 0.00 0.00 175.30 175.04 3cdg h PRO 15 N 8.24 0.54 0.00 3.54 0.11 -1.85 -3.35 132.00 139.23 3cdg h PRO 15 Ca -0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.92 3cdg h PRO 15 Cb 1.04 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3cdg h PRO 15 CO 0.42 0.36 0.00 0.41 -0.21 0.00 0.00 178.00 178.98 3cdg n GLY 16 N -1.33 -1.10 3.55 -0.55 0.00 -1.26 -4.51 105.19 100.00 3cdg n GLY 16 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 2.20 0.00 1.61 3.00 -1.26 -4.89 118.95 119.61 3cdg s ARG 17 Ca 0.00 1.43 0.00 0.00 0.00 0.00 0.00 55.73 57.16 3cdg s ARG 17 Cb 0.00 -4.56 0.00 0.00 0.00 0.00 0.00 34.95 30.39 3cdg s ARG 17 CO 0.00 -3.17 0.00 0.41 0.00 0.00 0.00 175.30 172.54 3cdg n GLY 18 N 5.97 0.00 3.64 -3.53 0.00 -1.26 -4.55 105.19 105.46 3cdg n GLY 18 Ca 0.36 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 3cdg n GLY 18 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3cdg n GLU 19 N -0.24 2.47 -1.60 1.61 2.13 -1.26 -4.40 120.64 119.35 3cdg n GLU 19 Ca 0.00 0.85 -0.38 0.00 0.66 0.00 0.00 57.16 58.28 3cdg n GLU 19 Cb 0.00 -3.02 0.04 0.00 0.27 0.00 0.00 31.44 28.74 3cdg n GLU 19 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3cdg n PRO 20 N 7.81 0.98 -2.89 5.31 -0.04 -1.26 -4.80 135.00 140.11 3cdg n PRO 20 Ca 0.24 0.37 -0.39 0.00 -0.04 0.00 0.00 63.50 63.68 3cdg n PRO 20 Cb 0.40 -2.11 -0.06 0.00 -0.04 0.00 0.00 33.50 31.69 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 -2.54 4.62 -0.06 0.54 3.52 0.87 -4.87 118.95 121.03 3cdg s ARG 21 Ca 0.72 1.25 -0.00 0.00 -0.13 0.00 0.00 55.73 57.57 3cdg s ARG 21 Cb -0.45 -3.15 0.02 0.00 -1.56 0.00 0.00 34.95 29.82 3cdg s ARG 21 CO 0.50 0.49 -0.03 0.12 -0.81 0.00 0.00 175.30 175.57 3cdg s PHE 22 N -1.28 0.80 -0.03 5.12 2.19 -1.26 -0.61 117.98 122.90 3cdg s PHE 22 Ca 0.40 -0.25 0.04 0.00 0.33 0.00 0.00 56.93 57.45 3cdg s PHE 22 Cb -0.23 -0.79 -0.00 0.00 -1.31 0.00 0.00 43.02 40.69 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 1.48 1.21 -0.04 3.12 1.01 0.10 -2.60 121.20 125.47 3cdg s ILE 23 Ca -0.02 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.06 3cdg s ILE 23 Cb -0.13 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.30 3cdg s ILE 23 CO -0.03 0.35 -0.15 -0.44 0.00 0.00 0.00 174.94 174.67 3cdg s SER 24 N 0.03 1.97 -0.02 3.58 0.01 -0.14 -0.57 113.70 118.56 3cdg s SER 24 Ca -0.02 -0.32 0.03 0.00 1.31 0.00 0.00 55.95 56.94 3cdg s SER 24 Cb -0.10 -0.60 -0.00 0.00 0.21 0.00 0.00 66.02 65.53 3cdg s SER 24 CO 0.01 0.12 -0.10 0.68 0.41 0.00 0.00 173.24 174.37 3cdg s VAL 25 N 0.16 0.82 -0.14 3.43 -7.23 -0.71 -0.23 120.40 116.50 3cdg s VAL 25 Ca -0.06 -0.41 -0.00 0.00 -1.81 0.00 0.00 61.98 59.70 3cdg s VAL 25 Cb -0.12 -0.71 -0.01 0.00 0.56 0.00 0.00 36.38 36.11 3cdg s VAL 25 CO 0.02 0.24 -0.13 -0.83 -0.31 0.00 0.00 175.10 174.10 3cdg s GLY 26 N -0.03 1.53 -0.11 2.32 0.00 -0.16 -0.93 107.32 109.93 3cdg s GLY 26 Ca 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.80 3cdg s GLY 26 CO 0.00 -0.08 -0.20 -0.19 0.00 0.00 0.00 173.10 172.63 3cdg s TYR 27 N 0.56 2.66 -0.24 1.90 1.51 0.67 -1.52 117.35 122.89 3cdg s TYR 27 Ca -0.08 -0.91 -0.14 0.00 -1.01 0.00 0.00 57.07 54.93 3cdg s TYR 27 Cb -0.16 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.88 3cdg s TYR 27 CO 0.04 -0.35 0.31 0.08 -1.11 0.00 0.00 175.55 174.51 3cdg s VAL 28 N 0.38 5.24 0.00 0.71 1.01 0.18 -0.80 120.40 127.11 3cdg s VAL 28 Ca -0.15 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.30 3cdg s VAL 28 Cb -0.17 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3cdg s VAL 28 CO 0.07 0.24 0.00 0.47 0.00 0.00 0.00 175.10 175.88 3cdg n ASP 29 N 4.78 0.00 -0.47 3.32 8.00 -0.20 0.04 116.55 132.01 3cdg n ASP 29 Ca -0.11 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.46 3cdg n ASP 29 Cb 0.51 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.73 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 9.53 1.55 -4.13 -2.24 8.00 -1.26 -4.94 116.55 123.07 3cdg n ASP 30 Ca 0.00 -2.96 -0.33 0.00 0.71 0.00 0.00 54.79 52.21 3cdg n ASP 30 Cb 0.00 -0.40 -0.16 0.00 -0.02 0.00 0.00 41.12 40.55 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 -2.05 2.16 0.26 -3.53 2.01 0.11 -5.04 115.64 109.56 3cdg s THR 31 Ca 0.28 -1.00 -0.30 0.00 0.31 0.00 0.00 61.69 60.98 3cdg s THR 31 Cb 0.26 -1.96 -0.09 0.00 0.01 0.00 0.00 72.50 70.72 3cdg s THR 31 CO -0.03 0.46 1.03 -1.58 -0.69 0.00 0.00 174.62 173.81 3cdg s GLN 32 N 1.28 4.74 0.00 4.92 0.74 -1.26 -0.65 119.66 129.43 3cdg s GLN 32 Ca 0.03 1.67 0.00 0.00 0.05 0.00 0.00 55.36 57.11 3cdg s GLN 32 Cb -0.14 -3.23 0.00 0.00 1.10 0.00 0.00 33.01 30.74 3cdg s GLN 32 CO -0.11 0.35 0.00 1.97 -0.55 0.00 0.00 175.29 176.94 3cdg n PHE 33 N 1.32 0.00 -4.15 1.67 -1.74 -0.58 -4.19 117.46 109.79 3cdg n PHE 33 Ca -0.02 0.00 -0.17 0.00 -0.56 0.00 0.00 57.45 56.71 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 -1.47 0.89 0.03 1.97 -7.23 -1.24 0.34 120.40 113.68 3cdg s VAL 34 Ca 0.00 -1.16 -0.07 0.00 -1.81 0.00 0.00 61.98 58.94 3cdg s VAL 34 Cb 0.00 -0.88 -0.01 0.00 0.56 0.00 0.00 36.38 36.06 3cdg s VAL 34 CO 0.00 -0.25 0.12 0.00 -0.31 0.00 0.00 175.10 174.67 3cdg s ARG 35 N -1.57 0.58 -0.03 4.82 1.04 -0.94 -0.99 118.95 121.85 3cdg s ARG 35 Ca -0.04 -0.64 0.01 0.00 -1.04 0.00 0.00 55.73 54.02 3cdg s ARG 35 Cb -0.10 0.23 0.02 0.00 -2.04 0.00 0.00 34.95 33.06 3cdg s ARG 35 CO 0.01 -0.15 -0.04 0.12 -0.04 0.00 0.00 175.30 175.21 3cdg s PHE 36 N -2.26 0.63 -0.30 5.89 2.19 0.68 -1.87 117.98 122.93 3cdg s PHE 36 Ca -0.08 -0.15 -0.02 0.00 0.33 0.00 0.00 56.93 57.01 3cdg s PHE 36 Cb -0.03 -0.55 0.12 0.00 -1.31 0.00 0.00 43.02 41.25 3cdg s PHE 36 CO -0.03 -0.14 0.19 0.34 1.83 0.00 0.00 175.22 177.41 3cdg s ASP 37 N 0.68 2.98 -0.02 6.13 -1.08 -1.26 -0.96 116.67 123.13 3cdg s ASP 37 Ca -0.09 -1.34 -0.03 0.00 -0.52 0.00 0.00 52.55 50.57 3cdg s ASP 37 Cb -0.12 -0.15 -0.14 0.00 -1.46 0.00 0.00 42.92 41.05 3cdg s ASP 37 CO -0.00 -0.40 2.14 -0.46 0.52 0.00 0.00 175.17 176.97 3cdg n ASN 38 N 5.03 2.80 -0.42 -0.34 6.94 -1.07 -2.09 115.26 126.11 3cdg n ASN 38 Ca -0.02 -2.02 -0.01 0.00 -0.02 0.00 0.00 54.58 52.51 3cdg n ASN 38 Cb 0.42 -0.75 -0.01 0.00 -2.36 0.00 0.00 39.78 37.08 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 2.78 -0.17 -1.39 0.53 2.03 -1.26 -4.71 116.55 114.36 3cdg n ASP 39 Ca 0.23 -0.69 0.00 0.00 0.52 0.00 0.00 54.79 54.85 3cdg n ASP 39 Cb 0.47 0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 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 0.15 -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 0.33 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.01 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 0.84 0.98 -3.60 0.00 0.00 -2.01 -3.40 119.26 112.07 3cdg h ALA 41 Ca 0.00 -0.48 -0.64 0.00 0.00 0.00 0.00 54.91 53.79 3cdg h ALA 41 Cb 0.00 -0.09 -0.39 0.00 0.00 0.00 0.00 17.79 17.31 3cdg h ALA 41 CO 0.00 0.67 -0.74 0.45 0.00 0.00 0.00 179.25 179.62 3cdg s SER 42 N -6.69 4.47 0.00 0.00 0.15 -1.26 -4.99 113.70 105.38 3cdg s SER 42 Ca -0.01 -1.84 0.00 0.00 0.70 0.00 0.00 55.95 54.80 3cdg s SER 42 Cb 0.12 -1.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 3cdg s SER 42 CO 0.74 -0.35 0.73 -2.65 1.20 0.00 0.00 173.24 172.90 3cdg n PRO 43 N 4.44 0.60 -4.49 5.44 -0.02 -1.26 -4.64 135.00 135.06 3cdg n PRO 43 Ca -0.01 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.23 3cdg n PRO 43 Cb 0.42 -1.20 -0.09 0.00 -0.02 0.00 0.00 33.50 32.61 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 1.80 0.09 -0.52 1.70 -1.26 -4.86 118.95 116.38 3cdg s ARG 44 Ca 0.00 -2.05 -0.30 0.00 -0.47 0.00 0.00 55.73 52.91 3cdg s ARG 44 Cb 0.00 -0.80 -0.06 0.00 -0.57 0.00 0.00 34.95 33.52 3cdg s ARG 44 CO 0.00 -0.32 1.12 1.41 -1.08 0.00 0.00 175.30 176.43 3cdg s MET 45 N -3.82 4.52 0.25 3.89 -2.45 -1.26 -4.42 119.30 116.01 3cdg s MET 45 Ca 0.29 1.68 0.07 0.00 -1.25 0.00 0.00 55.69 56.48 3cdg s MET 45 Cb 0.06 -3.35 -0.05 0.00 1.25 0.00 0.00 34.83 32.74 3cdg s MET 45 CO 0.14 -0.10 -0.07 0.14 1.05 0.00 0.00 175.02 176.18 3cdg s VAL 46 N 0.59 1.59 0.30 10.11 -7.23 -0.78 -4.93 120.40 120.05 3cdg s VAL 46 Ca 0.54 -2.14 -0.18 0.00 -1.81 0.00 0.00 61.98 58.39 3cdg s VAL 46 Cb -0.28 -2.33 -0.09 0.00 0.56 0.00 0.00 36.38 34.25 3cdg s VAL 46 CO 0.31 -0.38 0.77 -2.84 -0.31 0.00 0.00 175.10 172.65 3cdg s PRO 47 N -3.72 4.17 0.00 4.82 0.02 -1.26 -2.21 135.00 136.81 3cdg s PRO 47 Ca 0.27 0.85 0.00 0.00 0.02 0.00 0.00 61.00 62.14 3cdg s PRO 47 Cb 0.03 -2.60 0.00 0.00 0.02 0.00 0.00 34.50 31.95 3cdg s PRO 47 CO 0.10 0.23 0.73 0.54 -0.33 0.00 0.00 177.00 178.28 3cdg n ARG 48 N 0.09 1.45 -4.20 5.54 5.12 1.04 -4.85 116.66 120.84 3cdg n ARG 48 Ca 0.02 -1.00 -0.17 0.00 -1.93 0.00 0.00 57.85 54.77 3cdg n ARG 48 Cb 0.52 -0.85 -0.15 0.00 -1.16 0.00 0.00 32.46 30.83 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 -0.53 0.52 0.56 7.54 0.00 -1.14 -4.64 121.76 124.07 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 24.43 3cdg s ALA 49 CO 0.00 0.11 2.01 -1.35 0.00 0.00 0.00 175.76 176.52 3cdg h PRO 50 N 6.16 0.00 -0.62 0.00 0.11 -1.93 -1.64 132.00 134.08 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 -4.11 0.65 0.10 0.65 4.27 -1.26 -3.18 117.44 114.56 3cdg n TRP 51 Ca 0.07 -0.25 0.02 0.00 -3.89 0.00 0.00 57.50 53.45 3cdg n TRP 51 Cb 0.53 -0.16 -0.03 0.00 -1.36 0.00 0.00 31.31 30.30 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 0.29 3.10 0.00 -2.67 2.81 -0.62 -4.63 117.12 115.40 3cdg n MET 52 Ca 0.10 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 3cdg n MET 52 Cb 0.47 -0.88 0.00 0.00 -0.71 0.00 0.00 33.22 32.11 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 -1.35 0.67 -0.09 0.03 1.02 -1.19 -1.72 120.64 118.02 3cdg n GLU 53 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 3cdg n GLU 53 Cb 0.08 -1.31 0.07 0.00 -0.02 0.00 0.00 31.44 30.27 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 0.24 1.63 -3.39 3.49 0.00 -1.26 -5.05 117.38 113.05 3cdg n GLN 54 Ca 0.00 -1.96 -0.27 0.00 0.00 0.00 0.00 57.00 54.76 3cdg n GLN 54 Cb 0.19 -1.19 -0.03 0.00 0.00 0.00 0.00 30.24 29.22 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 -1.84 3.57 0.56 2.61 0.41 -0.70 -5.10 118.70 118.21 3cdg s GLU 55 Ca 0.17 -0.13 0.09 0.00 -0.41 0.00 0.00 54.97 54.69 3cdg s GLU 55 Cb 0.15 -2.68 0.07 0.00 -1.78 0.00 0.00 34.13 29.90 3cdg s GLU 55 CO 0.02 0.22 0.73 0.20 -0.49 0.00 0.00 175.26 175.93 3cdg s GLY 56 N -3.41 1.81 0.22 -1.39 0.00 -1.26 -4.93 107.32 98.36 3cdg s GLY 56 Ca 0.42 -2.02 -0.10 0.00 0.00 0.00 0.00 44.72 43.02 3cdg s GLY 56 CO 0.32 -1.69 1.67 1.76 0.00 0.00 0.00 173.10 175.16 3cdg h SER 57 N 0.28 -0.18 -1.12 1.64 0.02 -1.99 -1.33 113.55 110.88 3cdg h SER 57 Ca -0.31 0.15 0.38 0.00 -0.84 0.00 0.00 61.79 61.16 3cdg h SER 57 Cb 1.29 0.24 -0.14 0.00 0.14 0.00 0.00 62.40 63.92 3cdg h SER 57 CO 0.43 -0.08 0.67 -0.08 -1.14 0.00 0.00 176.83 176.63 3cdg h GLU 58 N 0.16 0.17 0.06 3.45 4.57 -1.99 0.42 114.58 121.43 3cdg h GLU 58 Ca 0.34 -0.01 -0.29 0.00 -1.18 0.00 0.00 59.36 58.21 3cdg h GLU 58 Cb 0.55 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 3cdg h GLU 58 CO -0.51 0.11 -1.60 -0.92 -1.18 0.00 0.00 179.01 174.92 3cdg h TYR 59 N 0.18 0.25 -0.01 0.92 3.20 -1.64 -3.13 116.97 116.74 3cdg h TYR 59 Ca 0.78 -0.18 -0.06 0.00 3.14 0.00 0.00 58.73 62.41 3cdg h TYR 59 Cb 2.10 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 40.35 3cdg h TYR 59 CO -0.01 1.63 -0.28 -1.49 -1.64 0.00 0.00 178.16 176.37 3cdg h TRP 60 N -0.48 0.01 0.39 -3.82 -0.00 -0.77 -2.05 115.95 109.23 3cdg h TRP 60 Ca -0.38 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.49 3cdg h TRP 60 Cb 1.66 -0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.82 3cdg h TRP 60 CO 0.09 0.29 -0.19 -0.44 -0.00 0.00 0.00 178.44 178.20 3cdg h ASP 61 N 0.01 -0.44 -0.79 -3.49 3.32 -0.36 -2.85 116.42 111.81 3cdg h ASP 61 Ca -0.00 -0.04 0.18 0.00 0.02 0.00 0.00 57.03 57.20 3cdg h ASP 61 Cb 0.51 0.11 -0.12 0.00 0.22 0.00 0.00 39.33 40.05 3cdg h ASP 61 CO 0.04 -0.00 0.21 -0.09 -1.72 0.00 0.00 179.24 177.67 3cdg h ARG 62 N -1.10 0.26 -0.13 3.56 2.43 -1.47 0.77 114.38 118.70 3cdg h ARG 62 Ca -0.05 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 58.99 3cdg h ARG 62 Cb 0.45 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3cdg h ARG 62 CO 0.09 0.17 -0.41 0.93 -1.51 0.00 0.00 179.97 179.23 3cdg h GLU 63 N 0.27 0.30 -0.48 0.20 4.39 -1.47 -1.30 114.58 116.49 3cdg h GLU 63 Ca 0.46 -0.15 -0.12 0.00 0.34 0.00 0.00 59.36 59.89 3cdg h GLU 63 Cb 0.84 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 3cdg h GLU 63 CO -0.55 0.67 -0.18 1.15 -1.16 0.00 0.00 179.01 178.93 3cdg h THR 64 N 0.25 1.27 -0.55 1.13 2.02 -0.77 0.10 112.91 116.36 3cdg h THR 64 Ca 0.02 -1.34 0.11 0.00 0.77 0.00 0.00 66.41 65.97 3cdg h THR 64 Cb 0.84 1.11 -0.09 0.00 -1.74 0.00 0.00 68.15 68.28 3cdg h THR 64 CO 0.07 0.46 0.05 -0.09 0.37 0.00 0.00 175.52 176.38 3cdg h ARG 65 N 0.83 0.17 -0.06 6.66 2.43 -0.25 0.70 114.38 124.86 3cdg h ARG 65 Ca 0.11 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3cdg h ARG 65 Cb 0.76 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.27 3cdg h ARG 65 CO 0.06 0.11 0.01 0.77 -1.51 0.00 0.00 179.97 179.42 3cdg h SER 66 N 0.17 0.09 0.66 -3.80 0.02 -0.94 -2.30 113.55 107.46 3cdg h SER 66 Ca 0.29 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 3cdg h SER 66 Cb 0.43 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.95 3cdg h SER 66 CO -0.42 0.31 -0.32 0.00 -1.14 0.00 0.00 176.83 175.25 3cdg h ALA 67 N 0.79 -0.89 -0.98 3.77 0.00 -0.24 -0.37 119.26 121.33 3cdg h ALA 67 Ca 0.02 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 54.84 3cdg h ALA 67 Cb 0.25 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 3cdg h ALA 67 CO 0.00 -0.95 0.62 0.00 0.00 0.00 0.00 179.25 178.92 3cdg h ARG 68 N -1.00 0.93 -0.17 0.00 3.08 -0.97 -1.07 114.38 115.18 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 0.71 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 3cdg h ARG 68 CO 0.15 0.62 -0.55 -0.44 -1.07 0.00 0.00 179.97 178.68 3cdg h ASP 69 N 0.96 0.57 -0.33 7.04 3.32 -1.29 -2.72 116.42 123.97 3cdg h ASP 69 Ca 0.48 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 3cdg h ASP 69 Cb 0.49 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3cdg h ASP 69 CO -0.24 1.00 -0.02 0.74 -1.72 0.00 0.00 179.24 179.00 3cdg h THR 70 N 0.39 1.23 -0.08 0.35 2.02 -0.06 -2.80 112.91 113.96 3cdg h THR 70 Ca 0.01 -0.97 -0.13 0.00 0.77 0.00 0.00 66.41 66.09 3cdg h THR 70 Cb 1.08 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 3cdg h THR 70 CO 0.10 0.34 -0.52 0.00 0.37 0.00 0.00 175.52 175.81 3cdg h ALA 71 N 1.32 0.97 -0.33 6.16 0.00 -0.95 -1.69 119.26 124.74 3cdg h ALA 71 Ca 0.13 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 3cdg h ALA 71 Cb 0.44 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3cdg h ALA 71 CO 0.02 0.67 -0.38 1.96 0.00 0.00 0.00 179.25 181.51 3cdg h GLN 72 N 0.17 0.84 -0.39 0.00 4.20 -1.41 -1.02 115.11 117.51 3cdg h GLN 72 Ca 0.00 -0.46 0.01 0.00 0.06 0.00 0.00 58.65 58.26 3cdg h GLN 72 Cb 0.98 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 3cdg h GLN 72 CO 0.08 1.10 0.26 0.82 -0.67 0.00 0.00 178.83 180.42 3cdg h ILE 73 N 0.62 1.09 0.09 2.54 1.08 -1.18 -2.26 117.51 119.49 3cdg h ILE 73 Ca 0.04 -0.17 -0.21 0.00 -0.39 0.00 0.00 64.86 64.13 3cdg h ILE 73 Cb 0.98 0.54 0.02 0.00 -3.07 0.00 0.00 36.82 35.29 3cdg h ILE 73 CO 0.09 0.09 -0.87 -0.26 -0.69 0.00 0.00 178.15 176.52 3cdg h PHE 74 N 0.51 0.71 -0.85 1.37 -1.00 -1.10 -0.53 116.94 116.05 3cdg h PHE 74 Ca 0.14 -0.45 0.20 0.00 2.81 0.00 0.00 57.97 60.67 3cdg h PHE 74 Cb -0.04 -0.06 -0.12 0.00 3.61 0.00 0.00 35.95 39.35 3cdg h PHE 74 CO -0.00 1.30 0.34 -0.09 -1.61 0.00 0.00 178.31 178.25 3cdg h ARG 75 N -0.08 0.38 0.78 1.51 2.43 -0.82 0.33 114.38 118.90 3cdg h ARG 75 Ca -0.13 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 58.98 3cdg h ARG 75 Cb 1.61 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 31.08 3cdg h ARG 75 CO 0.17 0.25 -0.37 0.28 -1.51 0.00 0.00 179.97 178.78 3cdg h VAL 76 N 0.39 0.07 -0.68 0.20 2.07 -1.37 -3.12 116.25 113.81 3cdg h VAL 76 Ca 0.51 -0.20 0.15 0.00 0.82 0.00 0.00 66.70 67.97 3cdg h VAL 76 Cb 0.92 0.09 -0.12 0.00 -1.52 0.00 0.00 31.29 30.66 3cdg h VAL 76 CO -0.51 0.01 -0.05 0.78 0.02 0.00 0.00 177.57 177.82 3cdg h ASN 77 N -1.23 -0.41 -0.50 0.57 2.35 0.56 0.41 115.58 117.33 3cdg h ASN 77 Ca -0.11 0.18 0.10 0.00 -0.55 0.00 0.00 56.30 55.93 3cdg h ASN 77 Cb 0.81 0.34 -0.09 0.00 0.05 0.00 0.00 38.32 39.43 3cdg h ASN 77 CO 0.18 -0.17 -0.11 -0.07 -1.65 0.00 0.00 177.43 175.60 3cdg h LEU 78 N 0.07 -0.44 0.03 1.61 3.38 -0.48 0.49 115.31 119.97 3cdg h LEU 78 Ca 0.35 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.49 3cdg h LEU 78 Cb 0.59 0.30 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 3cdg h LEU 78 CO -0.63 -0.16 -0.18 0.03 0.09 0.00 0.00 178.44 177.60 3cdg h ARG 79 N 0.01 -0.30 -0.97 1.13 3.08 -0.66 0.71 114.38 117.38 3cdg h ARG 79 Ca 0.24 0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.48 3cdg h ARG 79 Cb 0.37 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.40 3cdg h ARG 79 CO -0.50 -0.20 0.61 1.15 -1.07 0.00 0.00 179.97 179.96 3cdg h THR 80 N -0.31 0.76 0.07 2.04 2.02 0.25 -1.28 112.91 116.47 3cdg h THR 80 Ca 0.05 -0.25 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 3cdg h THR 80 Cb 0.36 -0.04 0.01 0.00 -1.74 0.00 0.00 68.15 66.74 3cdg h THR 80 CO -0.15 0.13 -0.46 -0.07 0.37 0.00 0.00 175.52 175.35 3cdg h LEU 81 N 0.74 0.24 -1.88 2.58 3.38 0.08 -2.87 115.31 117.58 3cdg h LEU 81 Ca 0.52 -0.96 0.33 0.00 0.09 0.00 0.00 57.88 57.86 3cdg h LEU 81 Cb 0.84 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 3cdg h LEU 81 CO -0.29 1.22 0.89 -0.09 0.09 0.00 0.00 178.44 180.26 3cdg h ARG 82 N -0.68 0.00 0.52 1.13 2.43 -0.20 0.23 114.38 117.82 3cdg h ARG 82 Ca -0.08 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3cdg h ARG 82 Cb 1.34 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.89 3cdg h ARG 82 CO 0.07 0.00 -0.25 0.78 -1.51 0.00 0.00 179.97 179.06 3cdg h GLY 83 N 0.00 -0.73 -0.33 2.80 0.00 -1.12 0.08 103.07 103.77 3cdg h GLY 83 Ca 0.54 0.27 0.08 0.00 0.00 0.00 0.00 47.33 48.21 3cdg h GLY 83 CO -0.01 -0.27 -0.42 -0.97 0.00 0.00 0.00 176.54 174.88 3cdg h TYR 84 N -1.18 -1.20 0.00 5.60 0.05 -0.41 0.73 116.97 120.55 3cdg h TYR 84 Ca -0.07 0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3cdg h TYR 84 Cb 0.54 0.59 0.00 0.00 1.01 0.00 0.00 36.73 38.87 3cdg h TYR 84 CO 0.00 -0.43 0.00 0.66 -1.05 0.00 0.00 178.16 177.34 3cdg n TYR 85 N -5.41 0.00 -4.19 4.88 0.53 -0.12 -4.85 117.16 108.00 3cdg n TYR 85 Ca 0.00 0.00 -0.34 0.00 -1.02 0.00 0.00 57.90 56.54 3cdg n TYR 85 Cb 0.35 -0.05 -0.05 0.00 -1.03 0.00 0.00 39.34 38.55 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 -0.19 -0.75 -4.85 7.72 2.85 0.25 -4.87 115.26 115.43 3cdg n ASN 86 Ca 0.00 -1.24 -0.37 0.00 -0.11 0.00 0.00 54.58 52.86 3cdg n ASN 86 Cb 0.13 -1.87 -0.06 0.00 1.24 0.00 0.00 39.78 39.22 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 -7.24 3.63 -0.12 1.20 -0.21 0.00 -5.04 119.66 111.87 3cdg s GLN 87 Ca 0.15 -0.06 -0.15 0.00 0.02 0.00 0.00 55.36 55.32 3cdg s GLN 87 Cb -0.08 -3.23 -0.07 0.00 1.00 0.00 0.00 33.01 30.64 3cdg s GLN 87 CO 0.97 0.69 0.49 -1.13 -2.12 0.00 0.00 175.29 174.19 3cdg n SER 88 N 2.21 0.30 0.00 5.90 3.41 -1.26 -4.80 113.62 119.38 3cdg n SER 88 Ca -0.18 0.39 0.14 0.00 -0.26 0.00 0.00 58.87 58.96 3cdg n SER 88 Cb 0.54 -0.30 0.76 0.00 -0.26 0.00 0.00 64.21 64.95 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 1.11 0.63 0.06 4.33 2.13 -1.26 -3.51 120.64 124.13 3cdg n GLU 89 Ca 0.09 0.02 -0.15 0.00 0.66 0.00 0.00 57.16 57.78 3cdg n GLU 89 Cb -0.01 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.06 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 3.52 0.31 -2.43 4.31 0.00 -2.01 -3.47 119.26 119.49 3cdg h ALA 90 Ca 0.00 -1.10 -0.49 0.00 0.00 0.00 0.00 54.91 53.33 3cdg h ALA 90 Cb 0.13 0.22 0.11 0.00 0.00 0.00 0.00 17.79 18.25 3cdg h ALA 90 CO 0.00 1.17 0.35 0.20 0.00 0.00 0.00 179.25 180.98 3cdg s GLY 91 N -4.91 1.62 -0.13 0.00 0.00 -1.23 -4.73 107.32 97.94 3cdg s GLY 91 Ca -0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 44.72 44.40 3cdg s GLY 91 CO 0.85 0.18 -0.07 -0.45 0.00 0.00 0.00 173.10 173.62 3cdg s SER 92 N -4.00 4.58 0.26 1.64 0.15 -1.26 -4.70 113.70 110.37 3cdg s SER 92 Ca 0.60 -0.15 0.04 0.00 0.70 0.00 0.00 55.95 57.14 3cdg s SER 92 Cb -0.14 -1.62 -0.05 0.00 -1.71 0.00 0.00 66.02 62.49 3cdg s SER 92 CO 0.54 0.21 -0.01 -1.00 1.20 0.00 0.00 173.24 174.17 3cdg s HIS 93 N 0.13 1.72 -0.13 3.44 3.76 -1.26 -4.94 115.29 118.01 3cdg s HIS 93 Ca -0.03 -0.87 0.01 0.00 -0.15 0.00 0.00 55.06 54.02 3cdg s HIS 93 Cb -0.14 -1.01 0.02 0.00 1.11 0.00 0.00 32.58 32.56 3cdg s HIS 93 CO 0.03 0.05 -0.13 0.99 -0.85 0.00 0.00 174.74 174.83 3cdg s THR 94 N -3.30 1.42 -0.17 1.30 2.01 -1.26 -1.62 115.64 114.02 3cdg s THR 94 Ca 0.30 -0.56 -0.03 0.00 0.31 0.00 0.00 61.69 61.71 3cdg s THR 94 Cb 0.06 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.21 3cdg s THR 94 CO 0.10 0.43 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.20 3cdg s LEU 95 N 1.34 3.08 0.07 4.42 2.96 0.08 0.02 118.68 130.65 3cdg s LEU 95 Ca 0.01 -0.23 0.08 0.00 -0.22 0.00 0.00 54.13 53.76 3cdg s LEU 95 Cb -0.14 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 3cdg s LEU 95 CO -0.07 0.11 -0.22 -1.10 -1.32 0.00 0.00 176.35 173.75 3cdg s GLN 96 N 0.71 1.34 -0.09 1.98 -0.21 0.09 -0.53 119.66 122.95 3cdg s GLN 96 Ca -0.02 -1.07 -0.06 0.00 0.02 0.00 0.00 55.36 54.23 3cdg s GLN 96 Cb -0.15 -1.55 0.03 0.00 1.00 0.00 0.00 33.01 32.35 3cdg s GLN 96 CO 0.02 0.38 0.21 -0.46 -2.12 0.00 0.00 175.29 173.32 3cdg s TRP 97 N -0.95 -0.25 -0.02 0.91 -0.00 -0.08 -0.83 118.94 117.72 3cdg s TRP 97 Ca 0.08 0.63 -0.06 0.00 -0.00 0.00 0.00 56.10 56.75 3cdg s TRP 97 Cb -0.09 0.04 0.01 0.00 -0.00 0.00 0.00 33.47 33.43 3cdg s TRP 97 CO 0.03 -0.16 0.13 0.00 -0.00 0.00 0.00 176.95 176.95 3cdg s MET 98 N 0.67 0.32 0.07 5.86 0.23 -1.00 -0.28 119.30 125.18 3cdg s MET 98 Ca -0.05 -0.12 -0.16 0.00 -1.03 0.00 0.00 55.69 54.34 3cdg s MET 98 Cb -0.06 0.14 0.03 0.00 -1.53 0.00 0.00 34.83 33.40 3cdg s MET 98 CO -0.04 -0.06 0.36 -3.38 -2.03 0.00 0.00 175.02 169.87 3cdg s HIS 99 N -0.66 -0.17 -0.17 3.16 -3.43 -1.09 -1.79 115.29 111.13 3cdg s HIS 99 Ca -0.07 -0.01 -0.33 0.00 -0.80 0.00 0.00 55.06 53.85 3cdg s HIS 99 Cb -0.04 0.18 0.14 0.00 -1.43 0.00 0.00 32.58 31.42 3cdg s HIS 99 CO 0.01 -0.59 1.15 0.20 -2.00 0.00 0.00 174.74 173.50 3cdg s GLY 100 N -2.33 -0.28 -0.05 -1.38 0.00 -0.88 -1.26 107.32 101.13 3cdg s GLY 100 Ca -0.02 1.67 0.06 0.00 0.00 0.00 0.00 44.72 46.44 3cdg s GLY 100 CO -0.06 0.61 -0.24 0.00 0.00 0.00 0.00 173.10 173.40 3cdg s GLU 102 N -0.24 3.62 0.08 0.00 2.02 0.55 -2.30 118.70 122.43 3cdg s GLU 102 Ca -0.01 -0.54 -0.19 0.00 0.02 0.00 0.00 54.97 54.25 3cdg s GLU 102 Cb -0.13 -2.94 -0.07 0.00 0.10 0.00 0.00 34.13 31.09 3cdg s GLU 102 CO 0.03 0.15 0.57 -0.51 0.02 0.00 0.00 175.26 175.52 3cdg s LEU 103 N 0.60 4.52 1.24 1.80 1.43 -0.26 0.94 118.68 128.94 3cdg s LEU 103 Ca -0.02 1.26 -0.19 0.00 -1.03 0.00 0.00 54.13 54.15 3cdg s LEU 103 Cb -0.14 -2.92 0.30 0.00 0.03 0.00 0.00 46.19 43.45 3cdg s LEU 103 CO 0.02 0.27 1.06 -0.83 0.23 0.00 0.00 176.35 177.10 3cdg s GLY 104 N -1.14 1.54 0.43 -3.19 0.00 0.62 -3.35 107.32 102.23 3cdg s GLY 104 Ca 0.29 -0.80 0.10 0.00 0.00 0.00 0.00 44.72 44.32 3cdg s GLY 104 CO 0.19 0.08 2.06 -2.55 0.00 0.00 0.00 173.10 172.87 3cdg h PRO 105 N -2.73 0.42 0.00 2.90 0.11 -1.96 -1.85 132.00 128.89 3cdg h PRO 105 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3cdg h PRO 105 Cb 1.31 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3cdg h PRO 105 CO 0.36 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 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 0.04 -0.21 0.00 0.00 -0.01 0.00 0.00 54.79 54.61 3cdg n ASP 106 Cb 0.14 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 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 -1.10 0.00 -4.14 0.11 5.12 -0.69 -5.04 116.66 110.92 3cdg n ARG 107 Ca 0.08 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.74 3cdg n ARG 107 Cb 0.06 -0.98 -0.06 0.00 -1.16 0.00 0.00 32.46 30.32 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 2.69 -0.20 5.56 3.52 -1.26 -4.78 118.95 124.07 3cdg s ARG 108 Ca 0.00 -1.01 -0.37 0.00 -0.13 0.00 0.00 55.73 54.22 3cdg s ARG 108 Cb 0.00 -2.51 -0.17 0.00 -1.56 0.00 0.00 34.95 30.71 3cdg s ARG 108 CO 0.00 0.46 1.14 0.34 -0.81 0.00 0.00 175.30 176.42 3cdg n PHE 109 N -0.40 1.00 -0.10 5.12 7.35 -1.26 -0.28 117.46 128.90 3cdg n PHE 109 Ca -0.09 0.96 -0.18 0.00 -0.76 0.00 0.00 57.45 57.37 3cdg n PHE 109 Cb 0.55 -1.87 -0.06 0.00 0.35 0.00 0.00 39.48 38.45 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 2.29 1.63 -3.54 -2.13 7.94 0.27 -4.53 117.00 118.92 3cdg n LEU 110 Ca 0.22 0.28 -0.10 0.00 -1.11 0.00 0.00 56.01 55.30 3cdg n LEU 110 Cb 0.01 -0.66 -0.02 0.00 0.53 0.00 0.00 43.42 43.29 3cdg n LEU 110 CO 0.64 0.19 0.50 0.00 -1.11 0.00 0.00 177.39 177.62 3cdg s ARG 111 N -2.51 1.26 0.06 1.96 1.70 -0.88 -4.96 118.95 115.58 3cdg s ARG 111 Ca -0.28 -0.54 0.02 0.00 -0.47 0.00 0.00 55.73 54.46 3cdg s ARG 111 Cb 0.09 0.53 -0.03 0.00 -0.57 0.00 0.00 34.95 34.97 3cdg s ARG 111 CO 0.38 -0.56 -0.08 0.20 -1.08 0.00 0.00 175.30 174.16 3cdg s GLY 112 N -2.74 0.59 0.03 3.88 0.00 -1.26 -0.33 107.32 107.50 3cdg s GLY 112 Ca 0.05 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 43.82 3cdg s GLY 112 CO -0.07 -1.00 -0.01 -2.52 0.00 0.00 0.00 173.10 169.50 3cdg s TYR 113 N -1.98 0.33 -0.29 1.90 -0.85 -0.89 -4.93 117.35 110.65 3cdg s TYR 113 Ca -0.04 -0.70 -0.19 0.00 -0.52 0.00 0.00 57.07 55.62 3cdg s TYR 113 Cb -0.06 -0.25 0.13 0.00 0.38 0.00 0.00 41.96 42.16 3cdg s TYR 113 CO -0.01 -0.28 0.94 -2.00 -1.52 0.00 0.00 175.55 172.68 3cdg s GLU 114 N -2.45 0.48 0.03 -3.49 2.12 -1.26 -2.08 118.70 112.05 3cdg s GLU 114 Ca -0.07 0.74 -0.28 0.00 0.36 0.00 0.00 54.97 55.73 3cdg s GLU 114 Cb -0.03 0.15 0.07 0.00 0.26 0.00 0.00 34.13 34.58 3cdg s GLU 114 CO -0.04 -0.09 0.66 1.14 -0.54 0.00 0.00 175.26 176.39 3cdg s GLN 115 N 1.03 1.12 0.23 4.30 -2.07 -0.74 -0.41 119.66 123.13 3cdg s GLN 115 Ca -0.05 -0.04 0.07 0.00 -1.82 0.00 0.00 55.36 53.52 3cdg s GLN 115 Cb -0.04 0.52 -0.04 0.00 -1.09 0.00 0.00 33.01 32.36 3cdg s GLN 115 CO -0.13 -0.41 0.15 -0.06 -1.32 0.00 0.00 175.29 173.52 3cdg s PHE 116 N -2.21 3.06 -0.12 9.60 0.40 0.17 -2.36 117.98 126.53 3cdg s PHE 116 Ca -0.06 -0.11 -0.08 0.00 -0.60 0.00 0.00 56.93 56.08 3cdg s PHE 116 Cb -0.00 -1.40 0.04 0.00 0.51 0.00 0.00 43.02 42.17 3cdg s PHE 116 CO 0.01 0.53 0.29 0.00 0.70 0.00 0.00 175.22 176.75 3cdg s ALA 117 N -2.07 -0.71 -0.24 5.36 0.00 -0.01 -1.39 121.76 122.70 3cdg s ALA 117 Ca 0.32 0.99 0.01 0.00 0.00 0.00 0.00 51.96 53.27 3cdg s ALA 117 Cb -0.08 -0.60 0.04 0.00 0.00 0.00 0.00 23.12 22.48 3cdg s ALA 117 CO 0.24 -0.18 -0.10 -0.47 0.00 0.00 0.00 175.76 175.25 3cdg s TYR 118 N 0.73 3.11 -0.93 0.00 5.04 -0.27 -0.73 117.35 124.31 3cdg s TYR 118 Ca -0.05 -1.91 -0.03 0.00 -2.44 0.00 0.00 57.07 52.64 3cdg s TYR 118 Cb -0.06 -1.99 -0.03 0.00 0.35 0.00 0.00 41.96 40.23 3cdg s TYR 118 CO -0.05 -0.81 0.80 -0.25 -1.34 0.00 0.00 175.55 173.89 3cdg n ASP 119 N 4.56 -4.23 0.00 4.32 8.00 0.10 -2.99 116.55 126.32 3cdg n ASP 119 Ca -0.16 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.78 3cdg n ASP 119 Cb 0.45 -4.40 0.00 0.00 -0.02 0.00 0.00 41.12 37.15 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 -1.20 0.22 3.48 0.44 0.00 -1.26 -4.95 105.19 101.91 3cdg n GLY 120 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.02 2.38 0.10 1.61 2.20 -1.16 -5.08 119.74 118.77 3cdg s LYS 121 Ca 0.00 -0.78 -0.31 0.00 -0.36 0.00 0.00 55.97 54.51 3cdg s LYS 121 Cb 0.00 -2.33 -0.11 0.00 -1.51 0.00 0.00 37.83 33.89 3cdg s LYS 121 CO 0.00 0.60 1.85 -0.25 -0.36 0.00 0.00 175.35 177.18 3cdg n ASP 122 N 2.03 3.97 -0.03 1.43 9.92 -1.26 -1.11 116.55 131.50 3cdg n ASP 122 Ca -0.17 0.98 -0.04 0.00 -0.53 0.00 0.00 54.79 55.04 3cdg n ASP 122 Cb 0.52 -1.53 -0.01 0.00 -0.64 0.00 0.00 41.12 39.46 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 5.81 0.00 -4.30 1.24 4.19 -0.48 -4.05 117.16 119.58 3cdg n TYR 123 Ca 0.19 0.00 -0.19 0.00 3.31 0.00 0.00 57.90 61.21 3cdg n TYR 123 Cb 0.37 -0.20 -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 -6.41 1.85 0.01 2.98 2.96 -1.11 -1.47 118.68 117.49 3cdg s LEU 124 Ca -0.11 -0.15 0.06 0.00 -0.22 0.00 0.00 54.13 53.71 3cdg s LEU 124 Cb 0.02 -0.44 -0.02 0.00 0.50 0.00 0.00 46.19 46.25 3cdg s LEU 124 CO 0.17 0.06 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.18 3cdg s THR 125 N 0.08 1.53 -0.24 3.68 2.01 -0.96 0.45 115.64 122.20 3cdg s THR 125 Ca -0.01 -0.99 -0.23 0.00 0.31 0.00 0.00 61.69 60.77 3cdg s THR 125 Cb -0.06 -1.31 -0.01 0.00 0.01 0.00 0.00 72.50 71.13 3cdg s THR 125 CO -0.00 0.30 0.77 -0.22 -0.69 0.00 0.00 174.62 174.78 3cdg s LEU 126 N -0.81 4.09 0.45 4.42 2.96 0.45 -1.27 118.68 128.97 3cdg s LEU 126 Ca 0.07 0.96 -0.22 0.00 -0.22 0.00 0.00 54.13 54.71 3cdg s LEU 126 Cb -0.08 -3.09 -0.10 0.00 0.50 0.00 0.00 46.19 43.41 3cdg s LEU 126 CO 0.00 -0.45 0.79 0.59 -1.32 0.00 0.00 176.35 175.96 3cdg n ASN 127 N 5.80 0.21 -0.29 3.68 3.02 -0.41 -4.61 115.26 122.66 3cdg n ASN 127 Ca 0.04 0.94 0.02 0.00 -0.03 0.00 0.00 54.58 55.54 3cdg n ASN 127 Cb 0.48 -1.25 0.09 0.00 -0.61 0.00 0.00 39.78 38.49 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 1.03 -0.01 0.00 3.52 4.39 -1.91 0.64 114.58 122.23 3cdg h GLU 128 Ca -0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.27 3cdg h GLU 128 Cb 1.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 3cdg h GLU 128 CO 0.53 -0.01 0.00 -0.40 -1.16 0.00 0.00 179.01 177.97 3cdg n ASP 129 N -5.52 0.00 -1.29 1.42 5.75 -1.26 -4.83 116.55 110.81 3cdg n ASP 129 Ca 0.11 -0.71 -0.11 0.00 -0.01 0.00 0.00 54.79 54.07 3cdg n ASP 129 Cb 0.41 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.45 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 -0.74 -0.81 -0.00 -2.12 4.77 0.22 -4.76 117.00 113.56 3cdg n LEU 130 Ca 0.05 0.28 0.06 0.00 -0.03 0.00 0.00 56.01 56.38 3cdg n LEU 130 Cb 0.02 -1.82 -0.08 0.00 -2.33 0.00 0.00 43.42 39.21 3cdg n LEU 130 CO 0.04 -0.61 -0.10 -1.14 -1.33 0.00 0.00 177.39 174.24 3cdg n ARG 131 N -1.70 2.29 -3.72 3.23 0.63 -1.26 -4.44 116.66 111.70 3cdg n ARG 131 Ca -0.11 -0.01 -0.10 0.00 -0.92 0.00 0.00 57.85 56.71 3cdg n ARG 131 Cb 0.38 -1.16 -0.04 0.00 0.45 0.00 0.00 32.46 32.10 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 -2.43 -0.28 -0.03 6.15 1.04 -1.26 -4.81 113.70 112.08 3cdg s SER 132 Ca 0.04 -0.45 -0.02 0.00 0.48 0.00 0.00 55.95 56.00 3cdg s SER 132 Cb 0.10 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 3cdg s SER 132 CO 0.56 -1.05 0.09 0.26 0.98 0.00 0.00 173.24 174.08 3cdg s TRP 133 N -3.87 3.34 -0.13 5.02 0.52 -1.26 -1.28 118.94 121.29 3cdg s TRP 133 Ca 0.09 0.26 0.01 0.00 0.02 0.00 0.00 56.10 56.48 3cdg s TRP 133 Cb -0.01 -1.78 0.02 0.00 -1.15 0.00 0.00 33.47 30.55 3cdg s TRP 133 CO -0.03 0.58 -0.14 0.99 0.02 0.00 0.00 176.95 178.36 3cdg s THR 134 N -1.16 1.49 0.71 2.01 2.01 -0.40 -4.92 115.64 115.38 3cdg s THR 134 Ca 0.22 -0.61 -0.14 0.00 0.31 0.00 0.00 61.69 61.47 3cdg s THR 134 Cb -0.12 -1.38 0.03 0.00 0.01 0.00 0.00 72.50 71.03 3cdg s THR 134 CO 0.12 0.44 1.12 0.00 -0.69 0.00 0.00 174.62 175.62 3cdg s ALA 135 N 1.25 2.30 0.07 7.40 0.00 -1.26 -2.26 121.76 129.27 3cdg s ALA 135 Ca -0.01 0.54 -0.02 0.00 0.00 0.00 0.00 51.96 52.47 3cdg s ALA 135 Cb -0.14 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 3cdg s ALA 135 CO -0.06 -1.58 -0.04 0.28 0.00 0.00 0.00 175.76 174.37 3cdg n VAL 136 N -2.83 1.23 -2.34 0.00 0.31 -0.54 -4.90 118.33 109.26 3cdg n VAL 136 Ca 0.11 0.37 -0.41 0.00 -0.01 0.00 0.00 64.34 64.39 3cdg n VAL 136 Cb 0.52 -1.67 -0.03 0.00 -0.91 0.00 0.00 33.84 31.75 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 -4.86 116.67 115.08 3cdg s ASP 137 Ca -0.03 2.30 -0.00 0.00 -0.52 0.00 0.00 52.55 54.30 3cdg s ASP 137 Cb 0.00 -2.61 -0.02 0.00 -1.46 0.00 0.00 42.92 38.83 3cdg s ASP 137 CO 0.05 -0.38 0.66 0.35 0.52 0.00 0.00 175.17 176.37 3cdg n THR 138 N 2.22 0.47 -0.68 1.71 -2.24 -1.26 -0.01 114.28 114.49 3cdg n THR 138 Ca 0.04 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3cdg n THR 138 Cb 0.44 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 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 2.27 0.00 1.19 6.98 0.00 -1.26 -4.79 120.51 124.90 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 0.13 0.00 0.34 0.00 0.00 0.00 0.00 19.45 19.92 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 3.21 -0.11 0.00 0.00 0.98 -3.85 120.51 120.74 3cdg n ALA 140 Ca 0.00 -0.40 0.16 0.00 0.00 0.00 0.00 53.44 53.20 3cdg n ALA 140 Cb 0.01 -1.12 0.55 0.00 0.00 0.00 0.00 19.45 18.89 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 0.97 0.30 -0.24 0.00 4.20 -1.87 0.77 115.11 119.26 3cdg h GLN 141 Ca 0.00 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 3cdg h GLN 141 Cb 0.51 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 3cdg h GLN 141 CO 0.00 0.20 0.01 0.82 -0.67 0.00 0.00 178.83 179.19 3cdg h ILE 142 N 0.31 1.25 0.00 2.54 2.04 -1.93 -2.64 117.51 119.09 3cdg h ILE 142 Ca 0.32 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 3cdg h ILE 142 Cb 0.82 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 3cdg h ILE 142 CO -0.08 0.27 -0.23 0.28 0.00 0.00 0.00 178.15 178.39 3cdg h SER 143 N 0.19 0.00 0.08 1.72 0.02 -1.50 -2.62 113.55 111.44 3cdg h SER 143 Ca 0.07 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3cdg h SER 143 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3cdg h SER 143 CO 0.01 0.23 -0.04 -0.08 -1.14 0.00 0.00 176.83 175.81 3cdg h GLU 144 N 0.00 -0.11 0.00 3.45 4.81 -0.65 -3.08 114.58 119.00 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 0.73 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.14 3cdg h GLU 144 CO 0.03 -0.07 0.00 0.00 -0.73 0.00 0.00 179.01 178.24 3cdg n GLN 145 N -2.33 0.10 -1.02 1.92 10.64 -1.02 -0.50 117.38 125.18 3cdg n GLN 145 Ca -0.01 0.24 -0.10 0.00 -1.83 0.00 0.00 57.00 55.29 3cdg n GLN 145 Cb 0.04 -1.50 0.25 0.00 -0.86 0.00 0.00 30.24 28.17 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 -1.33 2.92 0.00 2.61 4.81 -0.99 -3.20 118.16 122.98 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 -0.64 0.00 0.05 3.14 7.64 0.35 -4.53 113.62 119.63 3cdg n SER 147 Ca 0.44 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 60.20 3cdg n SER 147 Cb 1.39 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 -0.15 0.05 6.43 2.35 -1.20 -0.65 115.58 122.41 3cdg h ASN 148 Ca 0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 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 0.32 -0.15 0.44 -1.65 0.00 0.00 177.43 176.39 3cdg h ASP 149 N -0.68 -0.45 0.00 5.81 5.19 -1.78 -0.68 116.42 123.83 3cdg h ASP 149 Ca -0.02 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 3cdg h ASP 149 Cb 0.51 0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.18 3cdg h ASP 149 CO 0.03 -0.16 0.32 0.00 -3.12 0.00 0.00 179.24 176.31 3cdg h ALA 150 N -1.31 1.29 -5.68 3.45 0.00 -1.80 -3.45 119.26 111.77 3cdg h ALA 150 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 3cdg h ALA 150 Cb 0.22 0.00 0.16 0.00 0.00 0.00 0.00 17.79 18.18 3cdg h ALA 150 CO -0.07 -0.29 -0.77 0.45 0.00 0.00 0.00 179.25 178.57 3cdg n SER 151 N -2.60 -2.06 0.25 0.00 2.88 -0.26 -4.88 113.62 106.95 3cdg n SER 151 Ca -0.02 -0.63 0.14 0.00 -1.33 0.00 0.00 58.87 57.04 3cdg n SER 151 Cb 0.36 -5.07 0.45 0.00 -0.75 0.00 0.00 64.21 59.20 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 -1.91 0.00 -1.46 -1.46 4.39 -1.59 -3.24 114.58 109.31 3cdg h GLU 152 Ca -0.59 0.00 0.44 0.00 0.34 0.00 0.00 59.36 59.55 3cdg h GLU 152 Cb 1.34 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.90 3cdg h GLU 152 CO 0.50 0.03 1.00 0.00 -1.16 0.00 0.00 179.01 179.39 3cdg h ALA 153 N 1.97 3.12 0.11 3.43 0.00 -1.88 -2.81 119.26 123.20 3cdg h ALA 153 Ca -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3cdg h ALA 153 Cb 0.74 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3cdg h ALA 153 CO 0.00 -1.64 -0.05 0.93 0.00 0.00 0.00 179.25 178.49 3cdg h GLU 154 N 0.07 -0.14 -0.13 0.00 3.07 -1.84 0.07 114.58 115.68 3cdg h GLU 154 Ca 0.77 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 59.68 3cdg h GLU 154 Cb 2.75 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 30.69 3cdg h GLU 154 CO -0.19 -0.10 0.39 0.45 -1.40 0.00 0.00 179.01 178.16 3cdg h HIS 155 N -0.29 0.00 0.00 4.33 3.86 -1.75 0.18 115.15 121.48 3cdg h HIS 155 Ca -0.02 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.14 3cdg h HIS 155 Cb 0.12 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 3cdg h HIS 155 CO 0.08 0.00 -0.28 1.96 0.86 0.00 0.00 177.93 180.55 3cdg h GLN 156 N 0.00 0.00 -0.70 2.45 1.08 -1.50 -2.22 115.11 114.21 3cdg h GLN 156 Ca 0.06 0.00 0.15 0.00 -1.45 0.00 0.00 58.65 57.41 3cdg h GLN 156 Cb 0.83 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.22 3cdg h GLN 156 CO -0.00 0.96 0.48 -0.09 -0.95 0.00 0.00 178.83 179.23 3cdg h ARG 157 N -1.00 0.33 -0.16 1.46 2.43 0.75 -1.85 114.38 116.34 3cdg h ARG 157 Ca -0.08 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 58.85 3cdg h ARG 157 Cb 1.04 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.52 3cdg h ARG 157 CO -0.05 0.22 -0.76 0.00 -1.51 0.00 0.00 179.97 177.87 3cdg h ALA 158 N 1.66 0.31 0.10 2.80 0.00 -0.76 -3.02 119.26 120.35 3cdg h ALA 158 Ca 0.34 -0.59 0.02 0.00 0.00 0.00 0.00 54.91 54.67 3cdg h ALA 158 Cb 0.85 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3cdg h ALA 158 CO -0.09 0.67 -0.23 -0.92 0.00 0.00 0.00 179.25 178.68 3cdg h TYR 159 N 0.54 -0.61 -0.35 0.00 3.20 -0.69 -0.24 116.97 118.82 3cdg h TYR 159 Ca -0.05 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3cdg h TYR 159 Cb 1.40 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.90 3cdg h TYR 159 CO 0.09 -0.33 0.23 -0.07 -1.64 0.00 0.00 178.16 176.44 3cdg h LEU 160 N -0.42 0.39 0.21 2.82 3.38 -1.54 0.25 115.31 120.40 3cdg h LEU 160 Ca 0.03 -0.01 -0.30 0.00 0.09 0.00 0.00 57.88 57.69 3cdg h LEU 160 Cb 0.45 -0.10 0.03 0.00 0.09 0.00 0.00 40.66 41.14 3cdg h LEU 160 CO -0.14 0.28 -1.31 -0.33 0.09 0.00 0.00 178.44 177.04 3cdg h GLU 161 N 0.47 0.51 0.00 1.13 5.08 -1.51 -3.27 114.58 116.98 3cdg h GLU 161 Ca 0.13 -0.83 0.00 0.00 -1.00 0.00 0.00 59.36 57.66 3cdg h GLU 161 Cb -0.05 0.30 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3cdg h GLU 161 CO -0.03 1.39 0.00 -0.25 -1.00 0.00 0.00 179.01 179.12 3cdg n ASP 162 N -3.82 0.00 -0.11 1.42 8.00 -0.10 -4.30 116.55 117.63 3cdg n ASP 162 Ca -0.16 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.29 3cdg n ASP 162 Cb 1.03 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 42.14 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 0.51 -0.29 -3.53 2.02 -1.52 -1.08 112.91 109.03 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 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 3cdg h THR 163 CO 0.00 0.00 0.11 0.00 0.37 0.00 0.00 175.52 176.00 3cdg h VAL 165 N 0.24 1.00 -0.70 0.00 2.07 -1.43 0.09 116.25 117.53 3cdg h VAL 165 Ca 0.13 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.27 3cdg h VAL 165 Cb 0.09 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 3cdg h VAL 165 CO -0.12 0.10 0.46 -0.08 0.02 0.00 0.00 177.57 177.95 3cdg h GLU 166 N -0.34 0.75 -0.02 1.57 4.81 -1.07 -2.42 114.58 117.86 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 0.28 -0.17 0.02 0.00 0.63 0.00 0.00 28.75 29.51 3cdg h GLU 166 CO 0.02 0.50 -0.92 -1.49 -0.73 0.00 0.00 179.01 176.39 3cdg h TRP 167 N 0.77 0.96 -0.52 0.92 4.06 -0.78 -1.98 115.95 119.38 3cdg h TRP 167 Ca 0.29 -0.51 0.11 0.00 2.06 0.00 0.00 58.89 60.83 3cdg h TRP 167 Cb 0.17 -0.11 -0.10 0.00 -1.00 0.00 0.00 29.16 28.12 3cdg h TRP 167 CO -0.00 1.34 -0.15 1.25 -3.56 0.00 0.00 178.44 177.32 3cdg h LEU 168 N 0.31 -0.56 -0.51 -4.49 5.85 -0.55 0.27 115.31 115.62 3cdg h LEU 168 Ca -0.11 0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.80 3cdg h LEU 168 Cb 1.59 0.35 -0.04 0.00 0.37 0.00 0.00 40.66 42.93 3cdg h LEU 168 CO 0.18 -0.19 0.29 0.45 -0.34 0.00 0.00 178.44 178.83 3cdg h HIS 169 N -0.03 0.55 -0.80 1.25 3.86 -1.42 0.40 115.15 118.96 3cdg h HIS 169 Ca 0.25 0.02 0.14 0.00 -1.16 0.00 0.00 60.37 59.62 3cdg h HIS 169 Cb 0.41 -0.17 -0.06 0.00 1.06 0.00 0.00 27.41 28.65 3cdg h HIS 169 CO -0.46 0.30 0.53 0.87 0.86 0.00 0.00 177.93 180.03 3cdg h LYS 170 N 0.58 0.52 0.03 2.45 1.57 0.06 -2.06 116.57 119.73 3cdg h LYS 170 Ca 0.21 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3cdg h LYS 170 Cb 0.05 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.25 3cdg h LYS 170 CO -0.11 0.35 -0.23 1.88 -0.57 0.00 0.00 179.45 180.77 3cdg h TYR 171 N 0.54 0.18 -0.51 -1.35 0.05 0.57 -2.82 116.97 113.62 3cdg h TYR 171 Ca 0.39 -0.12 0.15 0.00 0.05 0.00 0.00 58.73 59.21 3cdg h TYR 171 Cb 0.76 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.47 3cdg h TYR 171 CO -0.00 1.02 0.37 -0.07 -1.05 0.00 0.00 178.16 178.43 3cdg h LEU 172 N -0.72 0.00 0.01 3.88 3.38 -0.66 0.43 115.31 121.63 3cdg h LEU 172 Ca -0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3cdg h LEU 172 Cb 1.11 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.86 3cdg h LEU 172 CO 0.04 0.00 -0.27 -0.08 0.09 0.00 0.00 178.44 178.23 3cdg h GLU 173 N 0.00 0.17 -0.82 1.13 4.22 -1.45 -2.10 114.58 115.72 3cdg h GLU 173 Ca 0.24 -0.19 0.03 0.00 0.08 0.00 0.00 59.36 59.52 3cdg h GLU 173 Cb 0.99 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.25 3cdg h GLU 173 CO -0.00 0.95 0.54 0.87 -2.18 0.00 0.00 179.01 179.19 3cdg h LYS 174 N -0.53 1.00 -0.36 1.92 1.57 -0.82 -2.39 116.57 116.96 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 1.05 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 3cdg h LYS 174 CO 0.05 0.66 0.01 0.41 -0.57 0.00 0.00 179.45 180.01 3cdg n GLY 175 N -1.41 3.77 0.07 3.86 0.00 -0.03 -4.84 105.19 106.60 3cdg n GLY 175 Ca 0.10 -1.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.21 -0.07 -0.20 1.61 4.81 -0.79 -1.72 118.16 121.59 3cdg n LYS 176 Ca 0.24 0.36 0.08 0.00 -0.87 0.00 0.00 58.31 58.12 3cdg n LYS 176 Cb 1.00 -0.53 0.37 0.00 0.02 0.00 0.00 35.03 35.89 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 -2.45 114.58 115.66 3cdg h GLU 177 Ca 0.03 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.82 3cdg h GLU 177 Cb 0.07 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.82 3cdg h GLU 177 CO -0.15 0.46 -0.88 0.25 -1.40 0.00 0.00 179.01 177.29 3cdg n THR 178 N -4.50 1.47 -0.38 1.13 -2.24 -0.70 -3.86 114.28 105.19 3cdg n THR 178 Ca 0.13 0.15 0.31 0.00 -2.27 0.00 0.00 64.05 62.36 3cdg n THR 178 Cb 0.31 -2.34 0.59 0.00 -2.10 0.00 0.00 70.33 66.79 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 -1.00 0.32 0.01 3.22 4.07 -1.42 -2.41 115.31 118.09 3cdg h LEU 179 Ca -0.04 0.10 -0.33 0.00 0.08 0.00 0.00 57.88 57.69 3cdg h LEU 179 Cb 0.84 0.07 -0.06 0.00 1.08 0.00 0.00 40.66 42.59 3cdg h LEU 179 CO -0.02 -0.05 -2.05 0.18 -1.08 0.00 0.00 178.44 175.41 3cdg n LEU 180 N -4.63 0.69 -4.70 1.67 4.77 -0.92 -4.91 117.00 108.97 3cdg n LEU 180 Ca 0.31 0.20 -0.42 0.00 -0.03 0.00 0.00 56.01 56.07 3cdg n LEU 180 Cb 1.18 0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 42.43 3cdg n LEU 180 CO 0.24 0.49 1.42 -2.28 -1.33 0.00 0.00 177.39 175.93 3cdg s HIS 181 N -2.55 2.40 -0.07 -1.77 2.46 -0.91 -4.98 115.29 109.88 3cdg s HIS 181 Ca -0.09 0.13 -0.21 0.00 0.47 0.00 0.00 55.06 55.36 3cdg s HIS 181 Cb 0.07 -4.14 -0.04 0.00 -0.13 0.00 0.00 32.58 28.34 3cdg s HIS 181 CO 0.81 -4.57 0.60 -0.51 -2.47 0.00 0.00 174.74 168.61 3cdg s LEU 182 N 2.26 4.32 -0.38 8.88 1.43 -1.26 -4.92 118.68 129.01 3cdg s LEU 182 Ca 0.78 1.05 0.00 0.00 -1.03 0.00 0.00 54.13 54.94 3cdg s LEU 182 Cb -0.46 -2.91 0.11 0.00 0.03 0.00 0.00 46.19 42.95 3cdg s LEU 182 CO 0.35 -0.03 0.14 -0.70 0.23 0.00 0.00 176.35 176.33 3cdg s GLU 183 N 0.55 1.76 0.75 1.70 2.56 -0.88 -4.97 118.70 120.17 3cdg s GLU 183 Ca 0.32 -1.86 -0.13 0.00 0.00 0.00 0.00 54.97 53.30 3cdg s GLU 183 Cb -0.17 -3.41 0.05 0.00 2.00 0.00 0.00 34.13 32.60 3cdg s GLU 183 CO 0.15 -1.01 1.15 -1.25 -0.56 0.00 0.00 175.26 173.73 3cdg s PRO 184 N 1.00 2.12 0.25 4.30 0.04 -1.26 -0.91 135.00 140.54 3cdg s PRO 184 Ca 0.10 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.34 3cdg s PRO 184 Cb -0.21 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 3cdg s PRO 184 CO -0.06 -1.79 1.05 -1.25 0.04 0.00 0.00 177.00 174.99 3cdg s PRO 185 N -4.30 4.70 -1.18 0.56 0.04 -1.26 -4.52 135.00 129.04 3cdg s PRO 185 Ca 0.68 1.70 -0.18 0.00 0.04 0.00 0.00 61.00 63.24 3cdg s PRO 185 Cb -0.23 -3.23 0.11 0.00 0.04 0.00 0.00 34.50 31.19 3cdg s PRO 185 CO 0.49 0.28 1.52 0.15 0.04 0.00 0.00 177.00 179.48 3cdg s LYS 186 N -1.21 3.91 0.59 4.56 3.01 -0.61 -4.77 119.74 125.22 3cdg s LYS 186 Ca 0.44 -2.01 -0.16 0.00 -1.01 0.00 0.00 55.97 53.23 3cdg s LYS 186 Cb -0.30 -5.28 -0.04 0.00 -1.01 0.00 0.00 37.83 31.21 3cdg s LYS 186 CO 0.38 -2.03 1.06 0.95 0.51 0.00 0.00 175.35 176.22 3cdg s THR 187 N 3.31 3.75 0.00 2.17 -4.23 -1.26 -3.47 115.64 115.91 3cdg s THR 187 Ca 0.46 0.85 0.00 0.00 -1.18 0.00 0.00 61.69 61.82 3cdg s THR 187 Cb 0.00 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.48 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 -1.99 0.00 -3.86 3.99 1.44 -1.17 -5.00 115.22 108.64 3cdg n HIS 188 Ca 0.09 0.00 -0.30 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 -1.05 5.33 0.16 0.61 1.01 -1.26 -1.55 120.40 123.64 3cdg s VAL 189 Ca 0.00 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.71 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 -0.12 0.42 0.00 0.00 0.00 175.10 175.48 3cdg s THR 190 N -1.58 1.36 -0.08 3.92 -4.23 -0.95 -4.88 115.64 109.20 3cdg s THR 190 Ca 0.36 -2.06 0.01 0.00 -1.18 0.00 0.00 61.69 58.83 3cdg s THR 190 Cb -0.13 -1.86 -0.03 0.00 1.34 0.00 0.00 72.50 71.83 3cdg s THR 190 CO 0.27 -0.66 -0.08 -2.28 -0.54 0.00 0.00 174.62 171.34 3cdg s HIS 191 N -3.05 2.91 -0.35 3.99 2.46 -1.26 -2.23 115.29 117.75 3cdg s HIS 191 Ca 0.17 -0.07 0.02 0.00 0.47 0.00 0.00 55.06 55.65 3cdg s HIS 191 Cb 0.00 -1.73 0.15 0.00 -0.13 0.00 0.00 32.58 30.87 3cdg s HIS 191 CO 0.03 0.24 0.33 -1.01 -2.47 0.00 0.00 174.74 171.86 3cdg s HIS 192 N -0.62 -0.15 0.24 3.88 3.76 0.37 -4.97 115.29 117.80 3cdg s HIS 192 Ca 0.09 -0.86 -0.31 0.00 -0.15 0.00 0.00 55.06 53.83 3cdg s HIS 192 Cb -0.12 -0.50 -0.12 0.00 1.11 0.00 0.00 32.58 32.95 3cdg s HIS 192 CO 0.02 -0.94 1.61 -0.35 -0.85 0.00 0.00 174.74 174.23 3cdg n PRO 193 N 4.39 2.54 -0.12 8.40 -0.04 -1.26 0.74 135.00 149.65 3cdg n PRO 193 Ca 0.09 0.91 -0.27 0.00 -0.04 0.00 0.00 63.50 64.19 3cdg n PRO 193 Cb 0.44 -2.70 -0.11 0.00 -0.04 0.00 0.00 33.50 31.10 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 2.91 1.54 -3.88 0.52 5.41 -0.01 -4.84 119.36 121.01 3cdg n ILE 194 Ca 0.13 -0.27 0.00 0.00 1.00 0.00 0.00 62.75 63.60 3cdg n ILE 194 Cb 0.34 -1.92 0.00 0.00 -0.71 0.00 0.00 39.64 37.35 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 -4.27 0.00 0.27 4.38 3.41 -0.96 -4.98 113.62 111.47 3cdg n SER 195 Ca -0.46 -0.93 0.14 0.00 -0.26 0.00 0.00 58.87 57.35 3cdg n SER 195 Cb 0.82 0.00 0.79 0.00 -0.26 0.00 0.00 64.21 65.56 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 0.00 4.04 3.32 -2.03 -3.30 116.42 118.45 3cdg h ASP 196 Ca 0.00 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.65 3cdg h ASP 196 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 3cdg h ASP 196 CO 0.00 0.08 -2.48 1.41 -1.72 0.00 0.00 179.24 176.53 3cdg n HIS 197 N -3.69 0.00 -4.40 4.55 8.25 -1.26 -4.80 115.22 113.88 3cdg n HIS 197 Ca -0.02 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.14 3cdg n HIS 197 Cb 0.19 -1.00 -0.11 0.00 1.12 0.00 0.00 29.99 30.19 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 2.10 0.03 -0.41 2.02 -1.24 -1.09 118.70 117.58 3cdg s GLU 198 Ca -0.35 -1.00 0.01 0.00 0.02 0.00 0.00 54.97 53.65 3cdg s GLU 198 Cb 0.09 -2.26 -0.02 0.00 0.10 0.00 0.00 34.13 32.05 3cdg s GLU 198 CO 0.59 0.52 -0.06 0.00 0.02 0.00 0.00 175.26 176.34 3cdg s ALA 199 N -1.09 0.41 -0.17 5.21 0.00 0.40 -0.83 121.76 125.68 3cdg s ALA 199 Ca 0.18 -0.63 -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 0.10 -0.04 0.34 0.99 0.00 0.00 0.00 175.76 177.14 3cdg s THR 200 N -1.20 5.26 -0.41 0.00 2.01 0.23 0.08 115.64 121.60 3cdg s THR 200 Ca -0.10 0.62 -0.12 0.00 0.31 0.00 0.00 61.69 62.40 3cdg s THR 200 Cb -0.09 -3.68 0.04 0.00 0.01 0.00 0.00 72.50 68.79 3cdg s THR 200 CO -0.00 0.34 0.27 -0.76 -0.69 0.00 0.00 174.62 173.78 3cdg s LEU 201 N 0.78 5.06 -0.37 4.42 1.43 0.57 -0.48 118.68 130.09 3cdg s LEU 201 Ca 0.18 -1.14 -0.09 0.00 -1.03 0.00 0.00 54.13 52.06 3cdg s LEU 201 Cb -0.14 -2.08 0.05 0.00 0.03 0.00 0.00 46.19 44.05 3cdg s LEU 201 CO 0.06 -0.48 0.18 -0.60 0.23 0.00 0.00 176.35 175.74 3cdg s ARG 202 N 1.57 2.67 -0.22 1.70 3.52 -0.95 -0.98 118.95 126.27 3cdg s ARG 202 Ca 0.03 -1.24 -0.24 0.00 -0.13 0.00 0.00 55.73 54.15 3cdg s ARG 202 Cb -0.21 -3.64 -0.01 0.00 -1.56 0.00 0.00 34.95 29.53 3cdg s ARG 202 CO 0.07 -0.76 0.79 0.00 -0.81 0.00 0.00 175.30 174.58 3cdg s TRP 204 N 2.49 3.45 -0.19 0.00 0.52 -0.59 -1.53 118.94 123.09 3cdg s TRP 204 Ca 0.35 0.06 -0.04 0.00 0.02 0.00 0.00 56.10 56.48 3cdg s TRP 204 Cb -0.16 -1.62 0.09 0.00 -1.15 0.00 0.00 33.47 30.64 3cdg s TRP 204 CO 0.09 0.49 0.27 0.00 0.02 0.00 0.00 176.95 177.83 3cdg s ALA 205 N -1.83 -0.56 0.30 0.98 0.00 -0.88 -3.07 121.76 116.71 3cdg s ALA 205 Ca 0.34 0.62 0.11 0.00 0.00 0.00 0.00 51.96 53.03 3cdg s ALA 205 Cb -0.10 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.65 3cdg s ALA 205 CO 0.28 -1.05 -0.13 -0.51 0.00 0.00 0.00 175.76 174.36 3cdg s LEU 206 N 2.41 2.74 -1.31 0.00 1.43 -1.23 -2.12 118.68 120.61 3cdg s LEU 206 Ca 0.06 -1.02 -0.19 0.00 -1.03 0.00 0.00 54.13 51.95 3cdg s LEU 206 Cb -0.15 -1.18 0.03 0.00 0.03 0.00 0.00 46.19 44.92 3cdg s LEU 206 CO -0.12 -0.06 0.35 0.61 0.23 0.00 0.00 176.35 177.37 3cdg n GLY 207 N -0.73 -0.49 3.57 -3.19 0.00 -0.23 -1.57 105.19 102.55 3cdg n GLY 207 Ca -0.05 0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.93 2.45 -0.28 1.61 -0.71 -1.14 -4.62 117.98 111.36 3cdg s PHE 208 Ca 0.26 -0.50 -0.22 0.00 -1.04 0.00 0.00 56.93 55.43 3cdg s PHE 208 Cb -0.15 -1.45 0.09 0.00 -1.21 0.00 0.00 43.02 40.31 3cdg s PHE 208 CO 0.94 0.55 0.83 -0.47 -1.34 0.00 0.00 175.22 175.73 3cdg s TYR 209 N -2.60 -0.74 0.00 3.49 6.14 -0.09 -0.28 117.35 123.28 3cdg s TYR 209 Ca 0.33 1.67 0.00 0.00 0.64 0.00 0.00 57.07 59.72 3cdg s TYR 209 Cb 0.03 0.38 0.00 0.00 0.42 0.00 0.00 41.96 42.79 3cdg s TYR 209 CO 0.17 -0.36 0.00 -0.35 0.64 0.00 0.00 175.55 175.65 3cdg n PRO 210 N 3.02 -1.33 0.04 4.97 -0.04 -1.26 -2.07 135.00 138.33 3cdg n PRO 210 Ca -0.15 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.42 3cdg n PRO 210 Cb 0.56 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.02 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 3.08 -1.77 0.55 0.00 -1.26 -4.86 120.51 113.25 3cdg n ALA 211 Ca 0.00 -0.37 -0.40 0.00 0.00 0.00 0.00 53.44 52.66 3cdg n ALA 211 Cb 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 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 -3.29 4.15 0.00 0.00 2.56 -1.26 -4.96 118.70 115.90 3cdg s GLU 212 Ca 0.01 2.30 0.00 0.00 0.00 0.00 0.00 54.97 57.28 3cdg s GLU 212 Cb 0.13 -2.94 0.00 0.00 2.00 0.00 0.00 34.13 33.32 3cdg s GLU 212 CO 0.81 -0.39 0.00 1.51 -0.56 0.00 0.00 175.26 176.63 3cdg n ILE 213 N 0.47 0.00 0.13 -3.70 3.06 -1.26 -4.72 119.36 113.34 3cdg n ILE 213 Ca 0.02 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.27 3cdg n ILE 213 Cb 0.42 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.60 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 -2.18 9.51 -1.04 -1.08 -4.91 114.28 114.58 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 -0.17 -0.00 0.00 -1.82 0.00 0.00 70.33 68.34 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 -3.08 -2.82 -3.95 -4.42 4.77 -1.23 -4.93 117.00 101.33 3cdg n LEU 215 Ca 0.00 1.76 -0.12 0.00 -0.03 0.00 0.00 56.01 57.62 3cdg n LEU 215 Cb 0.00 -2.22 -0.13 0.00 -2.33 0.00 0.00 43.42 38.74 3cdg n LEU 215 CO 0.00 -2.15 -0.38 0.42 -1.33 0.00 0.00 177.39 173.95 3cdg s THR 216 N -0.25 0.21 -0.13 -5.08 -4.23 -0.92 -4.94 115.64 100.30 3cdg s THR 216 Ca -0.01 -0.51 -0.06 0.00 -1.18 0.00 0.00 61.69 59.93 3cdg s THR 216 Cb 0.00 -0.26 -0.04 0.00 1.34 0.00 0.00 72.50 73.55 3cdg s THR 216 CO 0.01 -0.20 0.10 0.26 -0.54 0.00 0.00 174.62 174.26 3cdg s TRP 217 N -0.71 3.44 0.29 3.99 0.52 -1.26 0.47 118.94 125.67 3cdg s TRP 217 Ca -0.06 0.37 0.00 0.00 0.02 0.00 0.00 56.10 56.43 3cdg s TRP 217 Cb -0.05 -1.95 -0.02 0.00 -1.15 0.00 0.00 33.47 30.29 3cdg s TRP 217 CO -0.00 0.55 0.31 -0.65 0.02 0.00 0.00 176.95 177.17 3cdg s GLN 218 N -0.64 1.62 0.05 4.98 -0.21 -0.67 -3.53 119.66 121.26 3cdg s GLN 218 Ca 0.12 -1.76 -0.01 0.00 0.02 0.00 0.00 55.36 53.73 3cdg s GLN 218 Cb -0.12 0.35 0.00 0.00 1.00 0.00 0.00 33.01 34.25 3cdg s GLN 218 CO 0.02 -0.61 0.07 0.00 -2.12 0.00 0.00 175.29 172.66 3cdg n GLN 219 N -0.48 0.11 -1.35 2.91 10.64 -0.78 0.39 117.38 128.82 3cdg n GLN 219 Ca 0.03 -0.36 -0.46 0.00 -1.83 0.00 0.00 57.00 54.38 3cdg n GLN 219 Cb 0.63 0.37 -0.02 0.00 -0.86 0.00 0.00 30.24 30.35 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 -1.55 0.00 2.61 -0.08 0.33 -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 -0.92 0.00 0.00 2.34 0.00 0.00 41.12 42.62 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 2.03 2.07 0.00 0.27 0.00 -1.26 -4.94 105.19 103.36 3cdg n GLY 221 Ca 0.16 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -5.15 120.64 116.22 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 2.96 0.00 0.62 0.00 -1.26 -1.86 107.32 107.78 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 2.03 0.00 1.57 0.00 0.00 0.00 173.10 176.70 3cdg n HIS 224 N 0.51 0.00 -2.49 1.90 -0.00 -1.23 -4.89 115.22 109.02 3cdg n HIS 224 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 3cdg n HIS 224 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.40 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 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.53 0.00 -0.94 -0.78 7.27 -1.26 -4.98 117.38 116.16 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 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 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 -0.68 -4.74 1.69 8.00 -1.26 -4.94 116.55 114.62 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 -0.20 -0.07 0.00 -0.02 0.00 0.00 41.12 40.83 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 -2.28 4.15 -0.02 -3.53 2.01 -1.26 -3.18 115.64 111.53 3cdg s THR 228 Ca 0.00 -1.21 0.06 0.00 0.31 0.00 0.00 61.69 60.85 3cdg s THR 228 Cb 0.00 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.40 3cdg s THR 228 CO 0.00 -0.09 -0.19 -0.70 -0.69 0.00 0.00 174.62 172.95 3cdg s GLU 229 N -2.97 1.65 -0.04 4.92 2.12 -0.39 -5.00 118.70 118.99 3cdg s GLU 229 Ca 0.29 -0.69 0.01 0.00 0.36 0.00 0.00 54.97 54.95 3cdg s GLU 229 Cb -0.10 -1.55 0.02 0.00 0.26 0.00 0.00 34.13 32.76 3cdg s GLU 229 CO 0.21 0.38 -0.04 -1.17 -0.54 0.00 0.00 175.26 174.10 3cdg s LEU 230 N -0.35 1.35 0.12 2.70 2.96 -1.26 -1.29 118.68 122.91 3cdg s LEU 230 Ca 0.05 -0.12 0.04 0.00 -0.22 0.00 0.00 54.13 53.87 3cdg s LEU 230 Cb -0.08 -0.43 -0.04 0.00 0.50 0.00 0.00 46.19 46.13 3cdg s LEU 230 CO -0.00 -0.05 0.12 0.68 -1.32 0.00 0.00 176.35 175.78 3cdg s VAL 231 N 0.87 4.57 0.24 1.68 -7.23 -1.13 -5.06 120.40 114.34 3cdg s VAL 231 Ca -0.12 -0.90 -0.31 0.00 -1.81 0.00 0.00 61.98 58.84 3cdg s VAL 231 Cb -0.14 -3.27 -0.12 0.00 0.56 0.00 0.00 36.38 33.41 3cdg s VAL 231 CO 0.00 0.01 1.68 -0.70 -0.31 0.00 0.00 175.10 175.78 3cdg s GLU 232 N -2.76 4.12 -0.25 4.82 2.12 -1.26 -4.59 118.70 120.91 3cdg s GLU 232 Ca 0.30 2.61 -0.32 0.00 0.36 0.00 0.00 54.97 57.92 3cdg s GLU 232 Cb -0.11 -3.05 -0.09 0.00 0.26 0.00 0.00 34.13 31.14 3cdg s GLU 232 CO 0.23 -0.71 2.14 2.41 -0.54 0.00 0.00 175.26 178.79 3cdg n THR 233 N 3.24 0.33 -4.02 -1.70 -1.04 -1.26 -4.87 114.28 104.95 3cdg n THR 233 Ca 0.13 -0.30 -0.28 0.00 -2.04 0.00 0.00 64.05 61.55 3cdg n THR 233 Cb 0.36 -2.03 -0.05 0.00 -1.82 0.00 0.00 70.33 66.79 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 5.82 3.07 0.16 -2.82 1.70 -0.04 -4.93 118.95 121.90 3cdg s ARG 234 Ca 1.03 -0.70 -0.25 0.00 -0.47 0.00 0.00 55.73 55.34 3cdg s ARG 234 Cb -0.63 -2.79 -0.08 0.00 -0.57 0.00 0.00 34.95 30.88 3cdg s ARG 234 CO 0.45 0.54 0.76 -1.25 -1.08 0.00 0.00 175.30 174.71 3cdg s PRO 235 N -2.81 4.53 0.08 3.89 0.04 -1.26 -0.93 135.00 138.55 3cdg s PRO 235 Ca 0.32 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.51 3cdg s PRO 235 Cb -0.11 -3.26 -0.24 0.00 0.04 0.00 0.00 34.50 30.93 3cdg s PRO 235 CO 0.25 0.58 1.14 0.00 0.04 0.00 0.00 177.00 179.00 3cdg h ALA 236 N 4.35 0.31 0.00 8.56 0.00 -1.54 -3.47 119.26 127.47 3cdg h ALA 236 Ca -0.47 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.46 3cdg h ALA 236 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3cdg h ALA 236 CO 0.66 1.19 0.00 0.41 0.00 0.00 0.00 179.25 181.51 3cdg n GLY 237 N 1.45 2.39 0.86 0.00 0.00 -1.26 -4.89 105.19 103.75 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 2.49 0.00 1.61 5.68 -1.26 -4.87 116.55 120.20 3cdg n ASP 238 Ca 0.00 -2.11 0.00 0.00 -0.50 0.00 0.00 54.79 52.18 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 0.97 3.41 2.46 6.12 0.00 -1.26 -5.05 105.19 111.84 3cdg n GLY 239 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.82 0.00 -4.37 2.61 -2.24 -1.26 -4.89 114.28 102.30 3cdg n THR 240 Ca 0.00 -1.04 -0.19 0.00 -2.27 0.00 0.00 64.05 60.54 3cdg n THR 240 Cb 0.00 -0.99 -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 -2.20 0.02 -3.66 4.78 3.01 0.62 -1.47 117.46 118.55 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 0.37 0.03 -0.08 0.00 -0.01 0.00 0.00 39.48 39.79 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 -3.21 0.72 0.05 -1.08 -0.21 -0.10 -1.07 119.66 114.77 3cdg s GLN 242 Ca 0.18 0.63 -0.14 0.00 0.02 0.00 0.00 55.36 56.05 3cdg s GLN 242 Cb 0.01 0.35 0.02 0.00 1.00 0.00 0.00 33.01 34.39 3cdg s GLN 242 CO 0.13 -0.12 0.32 0.21 -2.12 0.00 0.00 175.29 173.70 3cdg s LYS 243 N -0.05 0.85 -0.02 2.91 2.20 -0.90 -0.86 119.74 123.86 3cdg s LYS 243 Ca -0.03 -0.54 -0.10 0.00 -0.36 0.00 0.00 55.97 54.94 3cdg s LYS 243 Cb -0.04 0.37 0.01 0.00 -1.51 0.00 0.00 37.83 36.66 3cdg s LYS 243 CO 0.02 -0.28 0.21 1.67 -0.36 0.00 0.00 175.35 176.61 3cdg s TRP 244 N -2.76 -0.09 -0.09 4.03 1.48 -1.26 -2.06 118.94 118.18 3cdg s TRP 244 Ca -0.03 0.15 0.01 0.00 -1.06 0.00 0.00 56.10 55.17 3cdg s TRP 244 Cb -0.00 0.02 0.02 0.00 -1.16 0.00 0.00 33.47 32.35 3cdg s TRP 244 CO -0.05 -0.28 -0.12 0.00 -4.06 0.00 0.00 176.95 172.45 3cdg s ALA 245 N -1.02 1.42 0.34 2.67 0.00 -0.58 -2.83 121.76 121.77 3cdg s ALA 245 Ca -0.11 -0.56 0.09 0.00 0.00 0.00 0.00 51.96 51.38 3cdg s ALA 245 Cb -0.06 -0.76 -0.06 0.00 0.00 0.00 0.00 23.12 22.25 3cdg s ALA 245 CO 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 175.76 175.66 3cdg s ALA 246 N 1.08 3.14 -0.02 0.00 0.00 -0.41 -0.06 121.76 125.49 3cdg s ALA 246 Ca -0.06 -2.01 -0.12 0.00 0.00 0.00 0.00 51.96 49.76 3cdg s ALA 246 Cb -0.15 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.73 3cdg s ALA 246 CO -0.02 0.06 0.26 0.54 0.00 0.00 0.00 175.76 176.61 3cdg s VAL 247 N -2.55 0.06 0.01 0.00 0.11 -0.15 -1.26 120.40 116.61 3cdg s VAL 247 Ca 0.34 -0.48 -0.14 0.00 -2.93 0.00 0.00 61.98 58.77 3cdg s VAL 247 Cb 0.01 -0.55 -0.06 0.00 -1.53 0.00 0.00 36.38 34.26 3cdg s VAL 247 CO 0.19 -0.26 0.41 -0.69 -3.33 0.00 0.00 175.10 171.41 3cdg s VAL 248 N -1.18 5.04 -0.03 2.04 1.01 -1.19 -0.31 120.40 125.77 3cdg s VAL 248 Ca -0.12 0.79 0.01 0.00 0.00 0.00 0.00 61.98 62.65 3cdg s VAL 248 Cb -0.05 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.64 3cdg s VAL 248 CO 0.03 0.54 -0.02 -0.69 0.00 0.00 0.00 175.10 174.97 3cdg s VAL 249 N -1.12 0.28 0.06 2.92 1.01 0.11 -4.95 120.40 118.71 3cdg s VAL 249 Ca 0.25 -0.01 -0.33 0.00 0.00 0.00 0.00 61.98 61.88 3cdg s VAL 249 Cb -0.16 -0.34 -0.12 0.00 0.00 0.00 0.00 36.38 35.76 3cdg s VAL 249 CO 0.14 0.15 1.75 -2.65 0.00 0.00 0.00 175.10 174.49 3cdg n PRO 250 N 3.89 2.32 -1.55 2.72 -0.02 -1.26 -0.46 135.00 140.64 3cdg n PRO 250 Ca -0.24 0.84 -0.40 0.00 -2.02 0.00 0.00 63.50 61.68 3cdg n PRO 250 Cb 0.52 -2.67 0.02 0.00 -0.02 0.00 0.00 33.50 31.35 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 5.14 0.22 0.00 2.55 7.64 -0.25 -2.34 113.62 126.58 3cdg n SER 251 Ca 0.19 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.98 3cdg n SER 251 Cb 0.31 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 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 1.46 2.76 0.17 0.23 0.00 -1.26 -4.82 105.19 103.74 3cdg n GLY 252 Ca 0.11 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.26 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 1.03 -0.32 1.61 1.02 -0.99 -4.46 120.64 118.54 3cdg n GLU 253 Ca 0.00 -0.34 0.26 0.00 -0.02 0.00 0.00 57.16 57.06 3cdg n GLU 253 Cb 0.00 -1.49 0.49 0.00 -0.02 0.00 0.00 31.44 30.42 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 -0.68 -0.06 0.00 3.49 4.71 -1.26 0.14 120.64 126.97 3cdg n GLU 254 Ca 0.19 1.39 0.11 0.00 -0.01 0.00 0.00 57.16 58.84 3cdg n GLU 254 Cb 0.24 -2.41 0.65 0.00 -1.01 0.00 0.00 31.44 28.92 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 -5.30 0.97 0.08 3.49 3.00 -1.26 -2.12 117.38 116.24 3cdg n GLN 255 Ca 0.33 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 57.20 3cdg n GLN 255 Cb 1.11 -1.36 -0.06 0.00 0.00 0.00 0.00 30.24 29.94 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 -6.68 -1.09 3.08 -0.65 -3.47 114.38 105.86 3cdg h ARG 256 Ca 0.00 -0.36 -0.50 0.00 0.07 0.00 0.00 59.98 59.19 3cdg h ARG 256 Cb 0.00 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 3cdg h ARG 256 CO 0.00 1.08 0.14 0.71 -1.07 0.00 0.00 179.97 180.83 3cdg s TYR 257 N -3.08 3.52 0.05 3.04 1.51 -0.90 -0.51 117.35 120.98 3cdg s TYR 257 Ca -0.04 1.37 0.01 0.00 -1.01 0.00 0.00 57.07 57.40 3cdg s TYR 257 Cb 0.09 -2.63 -0.03 0.00 -0.11 0.00 0.00 41.96 39.28 3cdg s TYR 257 CO 0.86 0.21 -0.06 0.95 -1.11 0.00 0.00 175.55 176.39 3cdg s THR 258 N -1.75 0.48 -0.14 -0.71 -4.23 0.16 -4.64 115.64 104.80 3cdg s THR 258 Ca 0.49 -1.34 0.01 0.00 -1.18 0.00 0.00 61.69 59.68 3cdg s THR 258 Cb -0.14 -0.91 0.00 0.00 1.34 0.00 0.00 72.50 72.79 3cdg s THR 258 CO 0.19 -0.59 -0.19 0.00 -0.54 0.00 0.00 174.62 173.50 3cdg s HIS 260 N 0.76 3.41 -0.30 0.00 3.76 0.18 -1.56 115.29 121.54 3cdg s HIS 260 Ca -0.07 -1.82 -0.23 0.00 -0.15 0.00 0.00 55.06 52.79 3cdg s HIS 260 Cb -0.16 -3.15 -0.00 0.00 1.11 0.00 0.00 32.58 30.38 3cdg s HIS 260 CO 0.00 -0.92 0.74 0.08 -0.85 0.00 0.00 174.74 173.80 3cdg s VAL 261 N 1.34 4.84 -0.23 -0.90 1.01 -1.08 -2.17 120.40 123.21 3cdg s VAL 261 Ca 0.04 1.12 -0.05 0.00 0.00 0.00 0.00 61.98 63.09 3cdg s VAL 261 Cb -0.24 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 3cdg s VAL 261 CO -0.00 -0.20 0.01 -1.10 0.00 0.00 0.00 175.10 173.81 3cdg s GLN 262 N 2.84 3.53 0.16 2.72 -0.21 -1.26 -2.29 119.66 125.15 3cdg s GLN 262 Ca 0.30 -0.55 -0.03 0.00 0.02 0.00 0.00 55.36 55.10 3cdg s GLN 262 Cb -0.14 -3.14 -0.03 0.00 1.00 0.00 0.00 33.01 30.69 3cdg s GLN 262 CO 0.12 -0.15 0.15 -1.58 -2.12 0.00 0.00 175.29 171.70 3cdg s HIS 263 N 1.44 0.82 -0.39 0.91 2.46 -1.26 -2.65 115.29 116.62 3cdg s HIS 263 Ca 0.05 -1.15 0.23 0.00 0.47 0.00 0.00 55.06 54.66 3cdg s HIS 263 Cb -0.15 -0.38 0.21 0.00 -0.13 0.00 0.00 32.58 32.14 3cdg s HIS 263 CO 0.00 -0.62 1.33 1.49 -2.47 0.00 0.00 174.74 174.47 3cdg h GLU 264 N 2.70 0.00 -0.01 2.88 4.81 -1.94 -3.20 114.58 119.82 3cdg h GLU 264 Ca -0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 3cdg h GLU 264 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3cdg h GLU 264 CO 0.54 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.23 3cdg n GLY 265 N 1.18 -0.73 3.65 1.92 0.00 -1.26 -4.80 105.19 105.14 3cdg n GLY 265 Ca 0.02 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.93 3.68 0.13 0.99 1.43 -1.21 -4.33 118.68 117.43 3cdg s LEU 266 Ca 0.43 0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 53.33 3cdg s LEU 266 Cb 0.21 -1.89 -0.07 0.00 0.03 0.00 0.00 46.19 44.47 3cdg s LEU 266 CO 0.34 0.27 1.57 -0.65 0.23 0.00 0.00 176.35 178.11 3cdg h PRO 267 N 5.96 -0.48 -3.31 1.29 0.11 -1.89 -3.45 132.00 130.24 3cdg h PRO 267 Ca -0.43 0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.65 3cdg h PRO 267 Cb 1.19 0.11 -0.15 0.00 0.11 0.00 0.00 31.00 32.26 3cdg h PRO 267 CO 0.62 -0.32 -0.14 -1.83 -0.21 0.00 0.00 178.00 176.12 3cdg s GLU 268 N -5.84 0.96 0.08 1.05 -1.05 -1.26 -5.14 118.70 107.50 3cdg s GLU 268 Ca -0.15 -0.60 -0.35 0.00 -0.15 0.00 0.00 54.97 53.71 3cdg s GLU 268 Cb 0.09 0.42 -0.19 0.00 -0.44 0.00 0.00 34.13 34.01 3cdg s GLU 268 CO 0.64 -0.35 0.87 -0.35 0.95 0.00 0.00 175.26 177.01 3cdg n PRO 269 N 0.13 0.01 -2.35 -4.83 -0.04 -1.26 -4.99 135.00 121.67 3cdg n PRO 269 Ca -0.17 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.05 3cdg n PRO 269 Cb 0.62 -1.32 0.08 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.37 2.31 -0.15 0.52 1.01 -0.97 -4.92 120.40 117.83 3cdg s VAL 270 Ca 0.81 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 62.30 3cdg s VAL 270 Cb -1.14 -2.91 0.05 0.00 0.00 0.00 0.00 36.38 32.37 3cdg s VAL 270 CO 0.57 0.00 0.36 -0.89 0.00 0.00 0.00 175.10 175.14 3cdg s THR 271 N -3.18 -0.02 0.36 3.92 2.01 -1.25 -2.65 115.64 114.83 3cdg s THR 271 Ca 0.62 0.08 0.09 0.00 0.31 0.00 0.00 61.69 62.78 3cdg s THR 271 Cb -0.09 -0.54 -0.06 0.00 0.01 0.00 0.00 72.50 71.82 3cdg s THR 271 CO 0.44 0.03 0.01 -0.76 -0.69 0.00 0.00 174.62 173.65 3cdg s LEU 272 N 1.03 2.93 0.00 4.42 2.01 -0.60 -4.90 118.68 123.57 3cdg s LEU 272 Ca -0.07 -1.10 0.00 0.00 0.01 0.00 0.00 54.13 52.98 3cdg s LEU 272 Cb -0.07 -1.22 0.00 0.00 0.01 0.00 0.00 46.19 44.90 3cdg s LEU 272 CO -0.08 -0.29 0.00 -1.14 1.01 0.00 0.00 176.35 175.85 3cdg n ARG 273 N -0.95 0.00 -0.10 1.70 0.63 -1.26 -2.45 116.66 114.22 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 -0.14 0.00 0.00 0.45 0.00 0.00 32.46 33.41 3cdg n ARG 273 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99