#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djc s ILE 2 N 0.00 0.95 -0.24 -0.08 -1.16 -0.72 -3.25 121.20 116.70 3djc s ILE 2 Ca 0.00 -0.49 -0.08 0.00 -0.51 0.00 0.00 60.65 59.58 3djc s ILE 2 Cb 0.00 -0.81 -0.03 0.00 0.61 0.00 0.00 42.46 42.23 3djc s ILE 2 CO 0.00 0.28 0.08 -0.22 -2.81 0.00 0.00 174.94 172.26 3djc s LEU 3 N -0.11 3.52 -0.18 8.50 2.96 -0.33 -1.09 118.68 131.95 3djc s LEU 3 Ca 0.01 -0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 53.71 3djc s LEU 3 Cb -0.06 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 3djc s LEU 3 CO 0.00 -0.01 0.01 0.00 -1.32 0.00 0.00 176.35 175.03 3djc s ILE 5 N 0.61 1.93 -0.37 0.00 1.01 0.03 -1.24 121.20 123.17 3djc s ILE 5 Ca -0.00 -1.02 -0.11 0.00 0.00 0.00 0.00 60.65 59.52 3djc s ILE 5 Cb -0.14 -1.84 0.02 0.00 0.01 0.00 0.00 42.46 40.51 3djc s ILE 5 CO 0.02 0.37 0.21 -0.62 0.00 0.00 0.00 174.94 174.93 3djc s ASP 6 N 1.31 5.76 -0.30 3.58 2.15 0.43 -0.99 116.67 128.61 3djc s ASP 6 Ca 0.02 -0.95 -0.20 0.00 0.43 0.00 0.00 52.55 51.85 3djc s ASP 6 Cb -0.15 -2.03 -0.01 0.00 -0.30 0.00 0.00 42.92 40.43 3djc s ASP 6 CO -0.11 -0.38 0.60 -0.69 -0.17 0.00 0.00 175.17 174.43 3djc s VAL 7 N 1.57 4.97 0.06 1.11 1.01 -0.36 0.41 120.40 129.17 3djc s VAL 7 Ca 0.02 0.83 0.01 0.00 0.00 0.00 0.00 61.98 62.84 3djc s VAL 7 Cb -0.19 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.23 3djc s VAL 7 CO 0.07 -0.10 0.06 0.61 0.00 0.00 0.00 175.10 175.74 3djc n GLY 8 N 4.44 2.61 0.08 4.51 0.00 -0.22 -2.58 105.19 114.03 3djc n GLY 8 Ca -0.02 -2.17 0.12 0.00 0.00 0.00 0.00 46.02 43.96 3djc n GLY 8 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3djc h ASN 9 N 0.04 0.00 0.00 1.61 4.21 -1.97 -3.40 115.58 116.08 3djc h ASN 9 Ca -0.03 -0.18 -0.02 0.00 1.21 0.00 0.00 56.30 57.29 3djc h ASN 9 Cb 0.13 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.32 3djc h ASN 9 CO 0.05 0.09 -1.06 -1.20 -1.29 0.00 0.00 177.43 174.02 3djc n SER 10 N -2.19 1.68 -4.18 5.81 7.64 -1.26 -4.86 113.62 116.26 3djc n SER 10 Ca 0.03 0.01 -0.23 0.00 1.01 0.00 0.00 58.87 59.69 3djc n SER 10 Cb 0.45 -0.02 -0.14 0.00 -1.01 0.00 0.00 64.21 63.48 3djc n SER 10 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3djc s HIS 11 N -2.02 1.48 -0.50 1.43 3.76 -1.26 -1.00 115.29 117.18 3djc s HIS 11 Ca -0.01 -0.33 -0.21 0.00 -0.15 0.00 0.00 55.06 54.35 3djc s HIS 11 Cb 0.00 -0.90 0.04 0.00 1.11 0.00 0.00 32.58 32.83 3djc s HIS 11 CO 0.02 0.03 0.74 0.42 -0.85 0.00 0.00 174.74 175.10 3djc s ILE 12 N -0.67 4.70 -0.42 0.60 1.01 0.42 -1.05 121.20 125.79 3djc s ILE 12 Ca 0.05 -0.05 -0.12 0.00 0.00 0.00 0.00 60.65 60.53 3djc s ILE 12 Cb -0.08 -4.35 0.05 0.00 0.01 0.00 0.00 42.46 38.10 3djc s ILE 12 CO 0.01 -0.84 0.28 -0.47 0.00 0.00 0.00 174.94 173.92 3djc s TYR 13 N 3.12 3.27 0.34 3.97 5.04 0.16 -0.97 117.35 132.28 3djc s TYR 13 Ca 0.23 -1.06 0.07 0.00 -2.44 0.00 0.00 57.07 53.87 3djc s TYR 13 Cb -0.15 -2.78 -0.02 0.00 0.35 0.00 0.00 41.96 39.36 3djc s TYR 13 CO 0.17 -0.73 0.36 0.20 -1.34 0.00 0.00 175.55 174.21 3djc s GLY 14 N 1.98 1.71 -0.28 8.97 0.00 -0.51 -0.43 107.32 118.77 3djc s GLY 14 Ca 0.03 -1.58 -0.25 0.00 0.00 0.00 0.00 44.72 42.92 3djc s GLY 14 CO 0.06 -1.50 0.90 -0.32 0.00 0.00 0.00 173.10 172.24 3djc s GLY 15 N -4.07 -0.31 -0.25 0.20 0.00 -0.37 -1.65 107.32 100.86 3djc s GLY 15 Ca 0.43 2.43 -0.06 0.00 0.00 0.00 0.00 44.72 47.51 3djc s GLY 15 CO 0.28 1.84 0.05 0.54 0.00 0.00 0.00 173.10 175.81 3djc s VAL 16 N 0.36 4.02 -0.18 1.40 0.11 -0.02 -0.97 120.40 125.11 3djc s VAL 16 Ca 0.01 -0.36 -0.13 0.00 -2.93 0.00 0.00 61.98 58.57 3djc s VAL 16 Cb -0.05 -2.91 -0.05 0.00 -1.53 0.00 0.00 36.38 31.84 3djc s VAL 16 CO -0.04 0.30 0.25 -0.36 -3.33 0.00 0.00 175.10 171.92 3djc s PHE 17 N 1.56 3.43 -0.82 1.54 0.40 -0.25 -0.81 117.98 123.03 3djc s PHE 17 Ca 0.05 0.50 -0.08 0.00 -0.60 0.00 0.00 56.93 56.80 3djc s PHE 17 Cb -0.15 -2.30 0.21 0.00 0.51 0.00 0.00 43.02 41.28 3djc s PHE 17 CO 0.02 0.22 0.72 0.34 0.70 0.00 0.00 175.22 177.21 3djc s ASP 18 N 0.53 6.23 0.40 1.36 3.68 -0.57 -1.75 116.67 126.56 3djc s ASP 18 Ca 0.14 -3.05 0.00 0.00 2.13 0.00 0.00 52.55 51.76 3djc s ASP 18 Cb -0.13 -2.05 0.00 0.00 -1.45 0.00 0.00 42.92 39.30 3djc s ASP 18 CO 0.03 -0.40 0.00 0.61 0.13 0.00 0.00 175.17 175.54 3djc n GLY 19 N 3.35 1.72 0.08 2.66 0.00 -1.26 -3.89 105.19 107.84 3djc n GLY 19 Ca 0.15 -0.31 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 3djc n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3djc n ASP 20 N 6.92 0.28 -4.79 1.61 4.64 -1.26 -5.01 116.55 118.94 3djc n ASP 20 Ca 0.00 0.00 -0.34 0.00 -1.38 0.00 0.00 54.79 53.07 3djc n ASP 20 Cb 0.00 1.19 -0.07 0.00 -1.04 0.00 0.00 41.12 41.20 3djc n ASP 20 CO 0.00 0.00 0.00 -1.83 -0.82 0.00 0.00 177.20 174.55 3djc s GLU 21 N -2.68 3.14 -0.12 -0.67 -1.05 -1.25 -5.05 118.70 111.01 3djc s GLU 21 Ca -0.09 -0.40 -0.29 0.00 -0.15 0.00 0.00 54.97 54.04 3djc s GLU 21 Cb 0.07 -2.92 -0.01 0.00 -0.44 0.00 0.00 34.13 30.83 3djc s GLU 21 CO 0.80 0.68 1.10 0.42 0.95 0.00 0.00 175.26 179.21 3djc s ILE 22 N -1.11 4.55 -0.03 1.83 1.01 -1.26 -1.51 121.20 124.68 3djc s ILE 22 Ca 0.20 1.85 0.02 0.00 0.00 0.00 0.00 60.65 62.71 3djc s ILE 22 Cb -0.12 -4.19 -0.25 0.00 0.01 0.00 0.00 42.46 37.91 3djc s ILE 22 CO 0.10 -0.05 0.71 0.11 0.00 0.00 0.00 174.94 175.81 3djc h LYS 23 N 7.41 0.15 -2.48 2.79 1.57 -1.34 -3.48 116.57 121.19 3djc h LYS 23 Ca -0.29 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 58.14 3djc h LYS 23 Cb 1.13 0.10 -0.24 0.00 0.08 0.00 0.00 32.23 33.30 3djc h LYS 23 CO 0.90 0.92 -0.15 -1.17 -0.57 0.00 0.00 179.45 179.39 3djc s LEU 24 N -6.68 -0.11 0.13 2.94 2.96 -1.24 -5.03 118.68 111.65 3djc s LEU 24 Ca -0.10 1.06 0.10 0.00 -0.22 0.00 0.00 54.13 54.97 3djc s LEU 24 Cb 0.07 1.73 -0.04 0.00 0.50 0.00 0.00 46.19 48.45 3djc s LEU 24 CO 0.82 -0.19 -0.24 0.00 -1.32 0.00 0.00 176.35 175.42 3djc s ARG 25 N 0.73 1.52 0.24 1.98 3.03 -1.26 -0.84 118.95 124.35 3djc s ARG 25 Ca -0.04 -1.32 -0.02 0.00 2.03 0.00 0.00 55.73 56.38 3djc s ARG 25 Cb -0.05 -1.96 -0.03 0.00 -1.03 0.00 0.00 34.95 31.89 3djc s ARG 25 CO -0.05 0.45 0.25 -0.59 -1.13 0.00 0.00 175.30 174.23 3djc s PHE 26 N -1.14 1.10 -0.11 5.89 -0.71 -0.66 -4.98 117.98 117.36 3djc s PHE 26 Ca 0.16 -1.30 -0.07 0.00 -1.04 0.00 0.00 56.93 54.68 3djc s PHE 26 Cb -0.10 -0.40 0.04 0.00 -1.21 0.00 0.00 43.02 41.35 3djc s PHE 26 CO 0.08 -0.79 0.28 0.50 -1.34 0.00 0.00 175.22 173.95 3djc s ARG 27 N -3.91 0.27 0.10 1.99 3.52 -1.26 -1.42 118.95 118.24 3djc s ARG 27 Ca 0.35 0.52 0.08 0.00 -0.13 0.00 0.00 55.73 56.56 3djc s ARG 27 Cb 0.04 -0.01 -0.03 0.00 -1.56 0.00 0.00 34.95 33.38 3djc s ARG 27 CO 0.15 -0.12 -0.20 -1.58 -0.81 0.00 0.00 175.30 172.73 3djc s HIS 28 N 0.91 1.73 0.01 5.12 5.65 -0.14 -4.96 115.29 123.61 3djc s HIS 28 Ca -0.06 -0.42 -0.29 0.00 0.25 0.00 0.00 55.06 54.54 3djc s HIS 28 Cb -0.07 -0.96 -0.04 0.00 -1.18 0.00 0.00 32.58 30.33 3djc s HIS 28 CO -0.06 0.19 0.91 0.95 -0.65 0.00 0.00 174.74 176.08 3djc s THR 29 N -1.15 4.83 -0.58 0.89 -4.23 -1.26 0.16 115.64 114.30 3djc s THR 29 Ca 0.06 1.93 -0.26 0.00 -1.18 0.00 0.00 61.69 62.23 3djc s THR 29 Cb -0.10 -4.26 -0.04 0.00 1.34 0.00 0.00 72.50 69.44 3djc s THR 29 CO 0.04 0.22 2.07 -0.94 -0.54 0.00 0.00 174.62 175.47 3djc s SER 30 N 0.73 4.94 0.41 3.99 1.04 -0.17 -4.75 113.70 119.88 3djc s SER 30 Ca 0.48 0.59 0.03 0.00 0.48 0.00 0.00 55.95 57.53 3djc s SER 30 Cb -0.21 -2.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.36 3djc s SER 30 CO 0.26 -2.60 0.10 -0.54 0.98 0.00 0.00 173.24 171.45 3djc s LYS 31 N 7.52 1.93 -0.32 4.02 -0.14 -1.26 -4.88 119.74 126.60 3djc s LYS 31 Ca 0.79 -2.17 -0.29 0.00 -1.36 0.00 0.00 55.97 52.94 3djc s LYS 31 Cb -0.14 -0.79 -0.00 0.00 -1.68 0.00 0.00 37.83 35.21 3djc s LYS 31 CO 0.22 -0.41 1.45 0.54 -0.76 0.00 0.00 175.35 176.38 3djc s VAL 32 N -3.17 3.91 0.03 3.17 0.11 -1.26 -4.89 120.40 118.31 3djc s VAL 32 Ca 0.23 0.99 -0.03 0.00 -2.93 0.00 0.00 61.98 60.24 3djc s VAL 32 Cb 0.03 -4.04 -0.02 0.00 -1.53 0.00 0.00 36.38 30.83 3djc s VAL 32 CO 0.13 -0.53 0.03 -0.44 -3.33 0.00 0.00 175.10 170.96 3djc s SER 33 N 3.75 0.24 0.56 3.54 0.01 -1.26 -5.14 113.70 115.39 3djc s SER 33 Ca 0.63 -0.56 0.04 0.00 1.31 0.00 0.00 55.95 57.37 3djc s SER 33 Cb -0.18 0.17 0.06 0.00 0.21 0.00 0.00 66.02 66.28 3djc s SER 33 CO 0.28 -0.43 0.77 0.42 0.41 0.00 0.00 173.24 174.70 3djc s THR 34 N -2.27 2.52 0.32 1.44 -4.23 -1.26 -4.82 115.64 107.34 3djc s THR 34 Ca -0.08 -0.81 0.03 0.00 -1.18 0.00 0.00 61.69 59.66 3djc s THR 34 Cb -0.04 -2.72 0.14 0.00 1.34 0.00 0.00 72.50 71.23 3djc s THR 34 CO -0.03 0.00 1.83 0.77 -0.54 0.00 0.00 174.62 176.65 3djc h SER 35 N 0.11 0.51 -0.11 3.99 4.64 -1.95 -2.12 113.55 118.61 3djc h SER 35 Ca -0.38 -0.11 -0.11 0.00 -0.47 0.00 0.00 61.79 60.72 3djc h SER 35 Cb 1.28 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3djc h SER 35 CO 0.45 0.62 -0.36 0.44 -0.87 0.00 0.00 176.83 177.11 3djc h ASP 36 N 0.51 0.51 -0.67 4.97 3.32 -1.95 0.18 116.42 123.28 3djc h ASP 36 Ca 0.10 -0.61 -0.03 0.00 0.02 0.00 0.00 57.03 56.51 3djc h ASP 36 Cb 0.41 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3djc h ASP 36 CO 0.02 1.03 0.29 -0.33 -1.72 0.00 0.00 179.24 178.53 3djc h GLU 37 N 0.02 0.98 0.01 3.56 5.08 -1.94 -1.95 114.58 120.35 3djc h GLU 37 Ca -0.01 -0.16 -0.19 0.00 -1.00 0.00 0.00 59.36 57.99 3djc h GLU 37 Cb 0.98 -0.17 0.02 0.00 0.50 0.00 0.00 28.75 30.08 3djc h GLU 37 CO 0.08 0.80 -0.75 -0.07 -1.00 0.00 0.00 179.01 178.07 3djc h LEU 38 N 0.94 0.64 -1.24 1.33 3.38 -1.44 -2.90 115.31 116.01 3djc h LEU 38 Ca 0.23 -0.77 -0.05 0.00 0.09 0.00 0.00 57.88 57.38 3djc h LEU 38 Cb 0.17 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3djc h LEU 38 CO -0.02 1.32 -0.04 1.23 0.09 0.00 0.00 178.44 181.02 3djc h GLY 39 N 0.02 0.50 0.66 0.83 0.00 -0.64 0.39 103.07 104.83 3djc h GLY 39 Ca -0.10 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 3djc h GLY 39 CO 0.15 0.28 -0.02 -2.22 0.00 0.00 0.00 176.54 174.73 3djc h ILE 40 N 0.45 1.18 -0.79 2.60 1.08 -1.47 -2.69 117.51 117.87 3djc h ILE 40 Ca 0.09 -0.76 0.10 0.00 -0.39 0.00 0.00 64.86 63.91 3djc h ILE 40 Cb 0.36 1.68 -0.07 0.00 -3.07 0.00 0.00 36.82 35.71 3djc h ILE 40 CO 0.01 0.19 0.43 0.15 -0.69 0.00 0.00 178.15 178.25 3djc h PHE 41 N -0.40 0.78 -0.01 1.37 3.57 -1.23 -0.53 116.94 120.50 3djc h PHE 41 Ca -0.01 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3djc h PHE 41 Cb 0.36 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 3djc h PHE 41 CO 0.04 0.30 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.34 3djc h LEU 42 N 0.72 0.02 -1.73 0.59 3.38 -0.97 0.55 115.31 117.86 3djc h LEU 42 Ca 0.39 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3djc h LEU 42 Cb 0.40 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3djc h LEU 42 CO -0.27 0.45 -0.16 0.11 0.09 0.00 0.00 178.44 178.67 3djc h LYS 43 N -0.42 0.00 0.12 1.13 1.57 -1.39 -2.99 116.57 114.60 3djc h LYS 43 Ca 0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 3djc h LYS 43 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 3djc h LYS 43 CO 0.00 0.16 -1.40 0.77 -0.57 0.00 0.00 179.45 178.41 3djc h SER 44 N 0.00 0.41 0.42 0.86 0.02 -0.95 -3.21 113.55 111.10 3djc h SER 44 Ca -0.00 -0.50 -0.13 0.00 -0.84 0.00 0.00 61.79 60.31 3djc h SER 44 Cb 0.30 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3djc h SER 44 CO 0.02 1.40 -0.58 1.62 -1.14 0.00 0.00 176.83 178.16 3djc h VAL 45 N 0.07 1.39 -0.03 2.27 3.04 -0.83 -2.85 116.25 119.31 3djc h VAL 45 Ca -0.19 -1.94 -0.02 0.00 -1.01 0.00 0.00 66.70 63.54 3djc h VAL 45 Cb 2.00 1.99 0.00 0.00 -2.01 0.00 0.00 31.29 33.27 3djc h VAL 45 CO 0.18 0.57 -0.07 -0.07 -1.01 0.00 0.00 177.57 177.17 3djc h LEU 46 N 0.12 0.11 -0.65 3.16 3.38 -1.66 -3.21 115.31 116.55 3djc h LEU 46 Ca -0.00 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.35 3djc h LEU 46 Cb 1.05 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 3djc h LEU 46 CO 0.08 0.68 0.31 -0.09 0.09 0.00 0.00 178.44 179.51 3djc h ARG 47 N -0.46 0.94 0.00 1.13 2.43 -1.52 -2.10 114.38 114.80 3djc h ARG 47 Ca -0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3djc h ARG 47 Cb 0.66 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3djc h ARG 47 CO 0.01 0.75 0.00 0.39 -1.51 0.00 0.00 179.97 179.62 3djc n GLU 48 N -4.47 0.11 -2.13 0.20 -0.58 -1.08 -2.68 120.64 110.01 3djc n GLU 48 Ca 0.05 0.38 -0.27 0.00 -0.42 0.00 0.00 57.16 56.90 3djc n GLU 48 Cb 0.13 -1.72 0.02 0.00 -0.57 0.00 0.00 31.44 29.30 3djc n GLU 48 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3djc n ASN 49 N -1.93 5.20 -3.87 1.62 3.02 -0.89 -4.99 115.26 113.43 3djc n ASN 49 Ca 0.02 -3.75 -0.25 0.00 -0.03 0.00 0.00 54.58 50.58 3djc n ASN 49 Cb 0.18 -0.47 -0.00 0.00 -0.61 0.00 0.00 39.78 38.88 3djc n ASN 49 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3djc n ASN 50 N -0.64 -0.84 -3.27 6.41 4.13 -1.09 -4.98 115.26 114.98 3djc n ASN 50 Ca 0.44 -0.96 -0.06 0.00 1.68 0.00 0.00 54.58 55.68 3djc n ASN 50 Cb 0.80 -3.33 -0.05 0.00 -1.54 0.00 0.00 39.78 35.66 3djc n ASN 50 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3djc s SER 52 N 2.54 6.62 0.53 0.00 0.15 -1.26 -2.82 113.70 119.46 3djc s SER 52 Ca 0.10 2.70 0.35 0.00 0.70 0.00 0.00 55.95 59.80 3djc s SER 52 Cb -0.12 -2.63 1.71 0.00 -1.71 0.00 0.00 66.02 63.28 3djc s SER 52 CO -0.28 -0.72 2.06 1.55 1.20 0.00 0.00 173.24 177.05 3djc h PRO 53 N 4.97 0.00 0.00 5.44 0.13 -1.92 -2.72 132.00 137.90 3djc h PRO 53 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 3djc h PRO 53 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3djc h PRO 53 CO 0.78 0.00 -0.35 0.93 -0.23 0.00 0.00 178.00 179.13 3djc h GLU 54 N 0.00 0.00 0.00 0.86 3.07 -1.97 -3.15 114.58 113.39 3djc h GLU 54 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 3djc h GLU 54 Cb 0.23 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3djc h GLU 54 CO 0.00 0.35 -0.23 1.79 -1.40 0.00 0.00 179.01 179.52 3djc h THR 55 N 0.00 0.44 -3.02 1.13 1.35 -1.87 -3.43 112.91 107.51 3djc h THR 55 Ca -0.00 -1.42 -0.55 0.00 -0.55 0.00 0.00 66.41 63.88 3djc h THR 55 Cb 0.93 2.05 -0.02 0.00 -1.73 0.00 0.00 68.15 69.38 3djc h THR 55 CO 0.05 0.23 0.77 -0.63 -0.25 0.00 0.00 175.52 175.68 3djc s ILE 56 N -3.26 4.16 -0.01 6.82 -1.09 -1.19 -4.50 121.20 122.13 3djc s ILE 56 Ca 0.04 1.48 0.00 0.00 -2.23 0.00 0.00 60.65 59.94 3djc s ILE 56 Cb 0.07 -3.95 -0.00 0.00 -1.58 0.00 0.00 42.46 37.00 3djc s ILE 56 CO 0.68 -0.03 0.01 0.54 -1.23 0.00 0.00 174.94 174.91 3djc n ARG 57 N 5.51 5.72 -4.22 2.79 1.74 -1.22 -5.03 116.66 121.95 3djc n ARG 57 Ca 0.12 -0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 57.02 3djc n ARG 57 Cb 0.45 -0.60 -0.15 0.00 -1.02 0.00 0.00 32.46 31.15 3djc n ARG 57 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3djc s LYS 58 N -1.19 0.62 -0.06 5.56 1.02 -1.20 -4.91 119.74 119.58 3djc s LYS 58 Ca 0.00 -0.20 0.03 0.00 0.02 0.00 0.00 55.97 55.82 3djc s LYS 58 Cb 0.00 -0.61 0.01 0.00 -0.52 0.00 0.00 37.83 36.71 3djc s LYS 58 CO 0.01 0.08 -0.12 0.42 -0.92 0.00 0.00 175.35 174.81 3djc s ILE 59 N 0.15 1.13 -0.02 2.17 1.01 -1.26 -1.18 121.20 123.20 3djc s ILE 59 Ca -0.02 -0.49 0.08 0.00 0.00 0.00 0.00 60.65 60.22 3djc s ILE 59 Cb -0.06 -1.03 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 3djc s ILE 59 CO -0.00 0.35 -0.25 0.00 0.00 0.00 0.00 174.94 175.04 3djc s ALA 60 N 0.54 2.07 -0.12 9.38 0.00 0.13 -1.17 121.76 132.58 3djc s ALA 60 Ca -0.12 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 50.77 3djc s ALA 60 Cb -0.15 -0.53 0.03 0.00 0.00 0.00 0.00 23.12 22.47 3djc s ALA 60 CO 0.03 0.50 -0.09 0.42 0.00 0.00 0.00 175.76 176.63 3djc s ILE 61 N -0.55 1.13 -0.13 0.00 1.01 0.14 -0.79 121.20 122.00 3djc s ILE 61 Ca 0.09 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.31 3djc s ILE 61 Cb -0.10 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 3djc s ILE 61 CO -0.01 0.37 0.05 0.00 0.00 0.00 0.00 174.94 175.35 3djc s SER 63 N -0.39 -0.16 -0.00 0.00 0.15 -1.26 -1.22 113.70 110.82 3djc s SER 63 Ca 0.09 0.34 0.11 0.00 0.70 0.00 0.00 55.95 57.18 3djc s SER 63 Cb -0.12 0.28 -0.13 0.00 -1.71 0.00 0.00 66.02 64.34 3djc s SER 63 CO 0.02 -0.10 0.40 0.55 1.20 0.00 0.00 173.24 175.30 3djc n VAL 64 N 3.61 0.00 -3.71 4.45 3.14 -1.06 -4.43 118.33 120.33 3djc n VAL 64 Ca -0.19 -0.25 -0.38 0.00 -2.96 0.00 0.00 64.34 60.56 3djc n VAL 64 Cb 0.55 0.80 -0.11 0.00 -1.06 0.00 0.00 33.84 34.02 3djc n VAL 64 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3djc s VAL 65 N -2.22 3.70 -1.60 1.55 1.01 -1.26 -4.98 120.40 116.61 3djc s VAL 65 Ca 0.02 -1.63 0.19 0.00 0.00 0.00 0.00 61.98 60.55 3djc s VAL 65 Cb 0.08 -3.34 0.39 0.00 0.00 0.00 0.00 36.38 33.51 3djc s VAL 65 CO 0.45 -0.51 1.56 -2.65 0.00 0.00 0.00 175.10 173.94 3djc n PRO 66 N 4.76 0.36 0.11 2.72 -0.02 -1.26 -2.59 135.00 139.08 3djc n PRO 66 Ca -0.08 0.08 0.07 0.00 -2.02 0.00 0.00 63.50 61.55 3djc n PRO 66 Cb 0.42 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.41 3djc n PRO 66 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3djc h GLN 67 N 0.00 0.00 0.00 -0.52 4.20 -2.00 -3.23 115.11 113.56 3djc h GLN 67 Ca 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 3djc h GLN 67 Cb 0.12 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3djc h GLN 67 CO 0.00 0.17 -0.29 0.28 -0.67 0.00 0.00 178.83 178.32 3djc h VAL 68 N 0.00 0.52 0.03 -0.54 2.07 -1.84 -3.41 116.25 113.09 3djc h VAL 68 Ca -0.05 -1.64 0.03 0.00 0.82 0.00 0.00 66.70 65.86 3djc h VAL 68 Cb 1.24 2.18 -0.05 0.00 -1.52 0.00 0.00 31.29 33.14 3djc h VAL 68 CO 0.03 0.29 -0.44 0.44 0.02 0.00 0.00 177.57 177.90 3djc h ASP 69 N 0.00 -1.33 -0.21 0.57 3.32 -1.62 -2.52 116.42 114.64 3djc h ASP 69 Ca -0.00 0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 3djc h ASP 69 Cb 1.15 0.51 -0.01 0.00 0.22 0.00 0.00 39.33 41.21 3djc h ASP 69 CO 0.04 -0.48 0.04 0.22 -1.72 0.00 0.00 179.24 177.34 3djc h TYR 70 N -0.62 0.36 0.00 4.55 3.20 -1.79 -1.96 116.97 120.72 3djc h TYR 70 Ca 0.03 -0.05 -0.10 0.00 3.14 0.00 0.00 58.73 61.76 3djc h TYR 70 Cb 0.68 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 3djc h TYR 70 CO -0.42 0.48 -0.45 0.66 -1.64 0.00 0.00 178.16 176.78 3djc h SER 71 N 0.14 0.00 0.62 -2.11 4.64 -1.84 -1.80 113.55 113.20 3djc h SER 71 Ca 0.06 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.20 3djc h SER 71 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3djc h SER 71 CO 0.00 0.45 -0.85 0.25 -0.87 0.00 0.00 176.83 175.82 3djc h LEU 72 N 0.00 0.20 -0.31 5.97 5.85 -1.40 -2.51 115.31 123.11 3djc h LEU 72 Ca -0.00 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 3djc h LEU 72 Cb 0.88 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 3djc h LEU 72 CO 0.06 0.95 0.07 0.03 -0.34 0.00 0.00 178.44 179.21 3djc h ARG 73 N 0.09 0.49 -0.44 1.25 3.08 -1.06 -3.02 114.38 114.77 3djc h ARG 73 Ca -0.03 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 3djc h ARG 73 Cb 1.46 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.43 3djc h ARG 73 CO 0.13 0.57 -0.03 1.03 -1.07 0.00 0.00 179.97 180.59 3djc h SER 74 N 0.33 0.70 0.80 7.04 0.87 -1.34 -2.38 113.55 119.58 3djc h SER 74 Ca 0.10 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 3djc h SER 74 Cb 0.30 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 3djc h SER 74 CO 0.00 0.79 -0.10 0.00 -0.53 0.00 0.00 176.83 177.00 3djc h ALA 75 N 1.28 1.06 0.16 6.23 0.00 -1.45 -1.70 119.26 124.84 3djc h ALA 75 Ca 0.13 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 3djc h ALA 75 Cb 0.47 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.26 3djc h ALA 75 CO 0.02 0.12 -0.92 0.00 0.00 0.00 0.00 179.25 178.48 3djc h VAL 77 N -0.30 0.02 0.00 0.00 -1.51 -1.31 0.14 116.25 113.30 3djc h VAL 77 Ca -0.16 -0.89 -0.05 0.00 -1.23 0.00 0.00 66.70 64.36 3djc h VAL 77 Cb 1.72 1.88 -0.01 0.00 -2.13 0.00 0.00 31.29 32.75 3djc h VAL 77 CO 0.17 0.01 -0.97 1.17 -1.23 0.00 0.00 177.57 176.72 3djc n LYS 78 N -3.10 0.51 0.10 5.19 4.81 -0.65 -3.56 118.16 121.45 3djc n LYS 78 Ca 0.03 0.35 0.12 0.00 -0.87 0.00 0.00 58.31 57.95 3djc n LYS 78 Cb 0.47 -1.55 0.24 0.00 0.02 0.00 0.00 35.03 34.21 3djc n LYS 78 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 3djc h TYR 79 N -1.00 0.00 0.00 5.64 0.05 -1.66 -3.36 116.97 116.65 3djc h TYR 79 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.70 3djc h TYR 79 Cb 0.89 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.63 3djc h TYR 79 CO -0.29 0.00 -0.73 1.19 -1.05 0.00 0.00 178.16 177.28 3djc n PHE 80 N -2.32 0.00 -1.08 4.88 3.01 -1.06 -5.02 117.46 115.87 3djc n PHE 80 Ca 0.04 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.47 3djc n PHE 80 Cb 0.46 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.91 3djc n PHE 80 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3djc n SER 81 N -1.19 -5.21 -4.45 4.37 7.64 0.45 -4.97 113.62 110.25 3djc n SER 81 Ca 0.00 0.07 -0.41 0.00 1.01 0.00 0.00 58.87 59.53 3djc n SER 81 Cb 0.07 -2.95 -0.11 0.00 -1.01 0.00 0.00 64.21 60.22 3djc n SER 81 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3djc s ILE 82 N -1.47 5.02 -0.28 0.44 1.01 -0.86 -4.87 121.20 120.18 3djc s ILE 82 Ca 0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 60.65 59.78 3djc s ILE 82 Cb 0.00 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.74 3djc s ILE 82 CO 0.00 -0.18 1.55 -0.62 0.00 0.00 0.00 174.94 175.69 3djc s ASP 83 N 1.65 6.36 0.43 3.58 3.68 -1.26 -3.91 116.67 127.20 3djc s ASP 83 Ca 0.04 1.37 -0.22 0.00 2.13 0.00 0.00 52.55 55.88 3djc s ASP 83 Cb -0.18 -2.53 -0.10 0.00 -1.45 0.00 0.00 42.92 38.65 3djc s ASP 83 CO 0.09 -1.31 0.99 -2.16 0.13 0.00 0.00 175.17 172.91 3djc s PRO 84 N 4.75 4.15 0.12 4.34 0.04 -1.26 -4.84 135.00 142.30 3djc s PRO 84 Ca 0.68 1.28 -0.31 0.00 0.04 0.00 0.00 61.00 62.69 3djc s PRO 84 Cb -0.21 -2.30 -0.08 0.00 0.04 0.00 0.00 34.50 31.95 3djc s PRO 84 CO 0.29 -0.12 1.33 0.12 0.04 0.00 0.00 177.00 178.66 3djc s PHE 85 N -1.96 3.30 -0.23 0.56 5.36 -0.32 -4.90 117.98 119.78 3djc s PHE 85 Ca 0.61 1.09 -0.05 0.00 -0.96 0.00 0.00 56.93 57.62 3djc s PHE 85 Cb -0.15 -3.60 -0.01 0.00 -0.34 0.00 0.00 43.02 38.92 3djc s PHE 85 CO 0.19 -2.01 -0.01 -0.51 -1.46 0.00 0.00 175.22 171.42 3djc s LEU 86 N 0.87 3.07 -0.91 6.12 2.01 -1.26 0.24 118.68 128.81 3djc s LEU 86 Ca 0.62 -0.34 -0.24 0.00 0.01 0.00 0.00 54.13 54.17 3djc s LEU 86 Cb -0.35 -1.80 0.01 0.00 0.01 0.00 0.00 46.19 44.07 3djc s LEU 86 CO 0.31 -0.03 1.62 -0.22 1.01 0.00 0.00 176.35 179.05 3djc s LEU 87 N 1.52 3.33 0.00 1.79 2.96 -0.72 -4.91 118.68 122.65 3djc s LEU 87 Ca 0.06 -0.93 0.01 0.00 -0.22 0.00 0.00 54.13 53.05 3djc s LEU 87 Cb -0.15 -2.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.98 3djc s LEU 87 CO -0.01 -2.01 0.03 0.00 -1.32 0.00 0.00 176.35 173.03 3djc n GLN 88 N 8.97 1.15 -2.00 1.98 6.02 -1.26 -4.63 117.38 127.60 3djc n GLN 88 Ca 0.30 -1.83 -0.42 0.00 -0.01 0.00 0.00 57.00 55.04 3djc n GLN 88 Cb 0.50 0.67 -0.03 0.00 1.02 0.00 0.00 30.24 32.40 3djc n GLN 88 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3djc s ALA 89 N -2.49 3.62 0.00 -1.58 0.00 -1.26 -3.35 121.76 116.70 3djc s ALA 89 Ca 0.04 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.96 3djc s ALA 89 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.38 3djc s ALA 89 CO 0.03 -1.38 0.00 0.41 0.00 0.00 0.00 175.76 174.81 3djc n GLY 90 N 4.13 2.44 3.81 0.00 0.00 -1.26 -5.11 105.19 109.20 3djc n GLY 90 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3djc n GLY 90 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3djc s VAL 91 N -2.25 3.89 0.19 1.61 -7.23 -1.21 -4.99 120.40 110.40 3djc s VAL 91 Ca 0.00 0.67 -0.30 0.00 -1.81 0.00 0.00 61.98 60.54 3djc s VAL 91 Cb 0.00 -3.34 -0.08 0.00 0.56 0.00 0.00 36.38 33.52 3djc s VAL 91 CO 0.00 -0.75 1.28 -0.75 -0.31 0.00 0.00 175.10 174.57 3djc s LYS 92 N -4.82 4.41 0.00 4.82 2.20 -1.26 -4.89 119.74 120.21 3djc s LYS 92 Ca 0.60 2.00 0.00 0.00 -0.36 0.00 0.00 55.97 58.21 3djc s LYS 92 Cb -0.15 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 3djc s LYS 92 CO 0.51 -0.21 0.00 0.25 -0.36 0.00 0.00 175.35 175.54 3djc n THR 93 N 2.65 0.00 -2.63 3.43 -2.24 -1.26 -4.78 114.28 109.45 3djc n THR 93 Ca 0.06 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.78 3djc n THR 93 Cb 0.43 -0.42 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 3djc n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3djc n GLY 94 N 1.64 0.49 3.27 3.38 0.00 -1.26 -4.92 105.19 107.79 3djc n GLY 94 Ca 0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 3djc n GLY 94 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3djc s LEU 95 N -2.34 0.71 -0.61 0.99 0.05 -1.26 -4.95 118.68 111.26 3djc s LEU 95 Ca 0.12 -0.01 -0.20 0.00 0.05 0.00 0.00 54.13 54.09 3djc s LEU 95 Cb -0.05 1.45 0.10 0.00 -2.05 0.00 0.00 46.19 45.63 3djc s LEU 95 CO 0.14 -0.56 0.78 0.20 -0.55 0.00 0.00 176.35 176.36 3djc s ASN 96 N -1.74 6.19 -0.49 1.48 0.01 -0.06 -4.94 114.94 115.38 3djc s ASN 96 Ca -0.08 -1.32 -0.29 0.00 -0.71 0.00 0.00 52.86 50.45 3djc s ASN 96 Cb -0.02 -2.33 0.02 0.00 0.41 0.00 0.00 41.25 39.32 3djc s ASN 96 CO 0.00 -1.20 1.27 -0.63 -1.51 0.00 0.00 177.10 175.03 3djc s ILE 97 N 3.06 4.01 -0.44 0.60 1.01 -1.26 -0.59 121.20 127.59 3djc s ILE 97 Ca 0.15 0.99 0.03 0.00 0.00 0.00 0.00 60.65 61.82 3djc s ILE 97 Cb -0.22 -4.49 0.28 0.00 0.01 0.00 0.00 42.46 38.04 3djc s ILE 97 CO 0.07 -1.03 1.16 0.29 0.00 0.00 0.00 174.94 175.43 3djc n LYS 98 N 8.16 1.97 -2.73 2.79 4.01 0.32 -4.80 118.16 127.88 3djc n LYS 98 Ca 0.13 -1.16 -0.35 0.00 -0.51 0.00 0.00 58.31 56.42 3djc n LYS 98 Cb 0.49 -1.62 -0.06 0.00 -0.51 0.00 0.00 35.03 33.33 3djc n LYS 98 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 3djc s TYR 99 N -1.45 3.38 0.36 2.13 1.51 -1.26 -4.84 117.35 117.18 3djc s TYR 99 Ca 0.21 1.66 0.05 0.00 -1.01 0.00 0.00 57.07 57.98 3djc s TYR 99 Cb 0.17 -2.94 0.68 0.00 -0.11 0.00 0.00 41.96 39.76 3djc s TYR 99 CO 0.05 -0.18 1.95 -0.09 -1.11 0.00 0.00 175.55 176.17 3djc h ARG 100 N 2.35 0.56 -3.69 -0.62 2.43 -1.98 -3.30 114.38 110.14 3djc h ARG 100 Ca -0.48 -0.08 -0.59 0.00 -0.81 0.00 0.00 59.98 58.02 3djc h ARG 100 Cb 1.19 -0.10 -0.40 0.00 -0.42 0.00 0.00 29.97 30.24 3djc h ARG 100 CO 0.62 0.49 -0.75 1.21 -1.51 0.00 0.00 179.97 180.03 3djc s ASN 101 N -6.70 4.09 0.65 -3.80 2.47 -1.26 -5.02 114.94 105.37 3djc s ASN 101 Ca -0.08 -1.67 0.36 0.00 0.42 0.00 0.00 52.86 51.89 3djc s ASN 101 Cb 0.16 -0.95 2.00 0.00 -1.45 0.00 0.00 41.25 41.02 3djc s ASN 101 CO 0.75 -0.41 2.18 -0.65 -3.72 0.00 0.00 177.10 175.25 3djc h PRO 102 N 8.04 0.00 -0.18 0.43 0.11 -1.87 -2.25 132.00 136.27 3djc h PRO 102 Ca -0.13 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.89 3djc h PRO 102 Cb 1.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3djc h PRO 102 CO 0.47 0.00 -0.29 0.28 -0.21 0.00 0.00 178.00 178.25 3djc h VAL 103 N 0.00 1.27 0.00 3.15 2.07 -1.95 -3.14 116.25 117.64 3djc h VAL 103 Ca 0.02 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.26 3djc h VAL 103 Cb 0.31 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3djc h VAL 103 CO -0.00 0.40 0.00 -0.08 0.02 0.00 0.00 177.57 177.91 3djc h GLU 104 N 0.31 0.00 -6.37 1.57 4.81 -1.85 -3.42 114.58 109.63 3djc h GLU 104 Ca 0.04 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.73 3djc h GLU 104 Cb 0.67 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 3djc h GLU 104 CO 0.05 0.00 0.76 0.08 -0.73 0.00 0.00 179.01 179.17 3djc s VAL 105 N -3.87 3.90 0.52 0.32 1.01 -1.19 -4.99 120.40 116.09 3djc s VAL 105 Ca -0.02 1.28 -0.22 0.00 0.00 0.00 0.00 61.98 63.01 3djc s VAL 105 Cb 0.11 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 3djc s VAL 105 CO 0.45 0.01 1.33 -0.83 0.00 0.00 0.00 175.10 176.06 3djc s GLY 106 N 1.65 2.87 0.55 4.51 0.00 -1.26 -4.89 107.32 110.74 3djc s GLY 106 Ca 0.61 1.27 0.37 0.00 0.00 0.00 0.00 44.72 46.97 3djc s GLY 106 CO 0.25 1.79 2.12 0.00 0.00 0.00 0.00 173.10 177.26 3djc h ALA 107 N 1.68 1.00 0.00 3.20 0.00 -1.88 -1.15 119.26 122.10 3djc h ALA 107 Ca -0.51 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.26 3djc h ALA 107 Cb 1.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3djc h ALA 107 CO 0.58 0.00 -0.87 0.38 0.00 0.00 0.00 179.25 179.34 3djc h ASP 108 N 0.00 0.00 1.01 0.00 2.03 -1.90 -3.00 116.42 114.56 3djc h ASP 108 Ca 0.00 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 56.09 3djc h ASP 108 Cb 0.08 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.55 3djc h ASP 108 CO 0.00 0.63 -0.99 0.03 -1.03 0.00 0.00 179.24 177.88 3djc h ARG 109 N 0.00 0.00 -0.34 4.15 -0.00 -1.58 -2.89 114.38 113.72 3djc h ARG 109 Ca -0.06 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 59.30 3djc h ARG 109 Cb 1.53 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.49 3djc h ARG 109 CO 0.07 0.99 -0.26 0.82 0.00 0.00 0.00 179.97 181.59 3djc h ILE 110 N 0.00 1.29 -0.51 2.04 2.04 -1.56 -2.46 117.51 118.34 3djc h ILE 110 Ca -0.01 -1.42 -0.05 0.00 1.00 0.00 0.00 64.86 64.39 3djc h ILE 110 Cb 1.76 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 39.27 3djc h ILE 110 CO 0.13 0.46 0.12 0.00 0.00 0.00 0.00 178.15 178.86 3djc h ALA 111 N 0.75 1.26 -0.18 1.87 0.00 -1.58 -0.95 119.26 120.43 3djc h ALA 111 Ca 0.06 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 3djc h ALA 111 Cb 0.83 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3djc h ALA 111 CO 0.07 0.52 -0.54 -0.91 0.00 0.00 0.00 179.25 178.38 3djc h ASN 112 N 0.75 0.60 -0.25 0.00 2.35 -1.49 -3.04 115.58 114.50 3djc h ASN 112 Ca 0.17 -0.32 -0.08 0.00 -0.55 0.00 0.00 56.30 55.52 3djc h ASN 112 Cb 0.28 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3djc h ASN 112 CO -0.00 1.02 -0.18 0.00 -1.65 0.00 0.00 177.43 176.62 3djc h ALA 113 N 0.99 0.36 -0.44 -0.83 0.00 -1.21 -2.87 119.26 115.25 3djc h ALA 113 Ca 0.01 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.58 3djc h ALA 113 Cb 1.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3djc h ALA 113 CO 0.10 0.27 0.29 0.82 0.00 0.00 0.00 179.25 180.73 3djc h ILE 114 N 0.27 1.11 0.00 0.00 2.04 -1.24 -2.43 117.51 117.26 3djc h ILE 114 Ca 0.05 -0.20 -0.12 0.00 1.00 0.00 0.00 64.86 65.59 3djc h ILE 114 Cb 0.71 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3djc h ILE 114 CO 0.05 0.11 -0.57 0.00 0.00 0.00 0.00 178.15 177.74 3djc h ALA 115 N 1.16 1.04 -0.05 1.87 0.00 -1.60 -2.45 119.26 119.24 3djc h ALA 115 Ca 0.16 -0.51 -0.25 0.00 0.00 0.00 0.00 54.91 54.31 3djc h ALA 115 Cb -0.06 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.65 3djc h ALA 115 CO -0.04 0.71 -0.95 0.00 0.00 0.00 0.00 179.25 178.97 3djc h ALA 116 N 1.43 0.22 0.00 0.00 0.00 -1.38 -2.46 119.26 117.07 3djc h ALA 116 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3djc h ALA 116 Cb 1.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3djc h ALA 116 CO 0.07 0.70 0.00 1.79 0.00 0.00 0.00 179.25 181.82 3djc h THR 117 N 0.42 0.00 0.00 0.00 1.35 -1.41 -1.26 112.91 112.01 3djc h THR 117 Ca -0.10 -0.64 -0.05 0.00 -0.55 0.00 0.00 66.41 65.07 3djc h THR 117 Cb 1.59 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 69.62 3djc h THR 117 CO 0.19 0.00 -0.29 -0.74 -0.25 0.00 0.00 175.52 174.42 3djc h HIS 118 N 0.00 0.00 -0.36 4.73 6.17 -1.41 -3.27 115.15 121.00 3djc h HIS 118 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 60.37 60.96 3djc h HIS 118 Cb 0.67 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.59 3djc h HIS 118 CO 0.00 1.10 -0.23 0.77 0.71 0.00 0.00 177.93 180.28 3djc h SER 119 N -1.00 0.83 -3.87 3.26 0.02 -1.49 -3.38 113.55 107.92 3djc h SER 119 Ca -0.08 -0.43 -0.63 0.00 -0.84 0.00 0.00 61.79 59.82 3djc h SER 119 Cb 1.06 -0.23 -0.41 0.00 0.14 0.00 0.00 62.40 62.96 3djc h SER 119 CO -0.05 1.08 -0.67 -0.36 -1.14 0.00 0.00 176.83 175.69 3djc s PHE 120 N -4.54 2.80 0.00 3.45 0.08 -0.48 -5.02 117.98 114.28 3djc s PHE 120 Ca -0.12 -2.94 -0.21 0.00 0.12 0.00 0.00 56.93 53.78 3djc s PHE 120 Cb 0.10 -2.46 -0.21 0.00 -0.57 0.00 0.00 43.02 39.88 3djc s PHE 120 CO 0.84 -0.73 1.14 -1.35 -0.10 0.00 0.00 175.22 175.02 3djc h PRO 121 N 6.39 0.35 -1.52 0.24 0.11 -1.75 -3.36 132.00 132.47 3djc h PRO 121 Ca -0.02 -0.31 -0.69 0.00 0.11 0.00 0.00 66.00 65.09 3djc h PRO 121 Cb 0.88 0.07 -0.32 0.00 0.11 0.00 0.00 31.00 31.75 3djc h PRO 121 CO 0.62 0.97 0.47 0.09 -0.21 0.00 0.00 178.00 179.94 3djc n ASN 122 N -4.37 6.75 -3.92 -2.05 5.03 -1.26 -4.90 115.26 110.54 3djc n ASN 122 Ca -0.09 -3.79 -0.13 0.00 0.87 0.00 0.00 54.58 51.43 3djc n ASN 122 Cb 0.55 -0.85 -0.14 0.00 -1.02 0.00 0.00 39.78 38.32 3djc n ASN 122 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3djc s GLN 123 N -3.86 0.21 0.01 3.52 -0.21 -1.26 -4.95 119.66 113.12 3djc s GLN 123 Ca 0.54 -0.17 -0.30 0.00 0.02 0.00 0.00 55.36 55.45 3djc s GLN 123 Cb 0.45 -0.15 -0.06 0.00 1.00 0.00 0.00 33.01 34.24 3djc s GLN 123 CO -0.22 0.04 1.54 -0.80 -2.12 0.00 0.00 175.29 173.72 3djc s ASN 124 N -0.27 6.73 -0.11 5.90 0.01 -1.26 -3.89 114.94 122.04 3djc s ASN 124 Ca -0.01 2.27 0.02 0.00 -0.71 0.00 0.00 52.86 54.43 3djc s ASN 124 Cb -0.02 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.09 3djc s ASN 124 CO -0.00 -0.82 -0.19 -0.63 -1.51 0.00 0.00 177.10 173.95 3djc s ILE 125 N 2.80 1.75 -0.14 0.60 1.01 0.14 -0.16 121.20 127.21 3djc s ILE 125 Ca 0.69 -0.81 -0.16 0.00 0.00 0.00 0.00 60.65 60.38 3djc s ILE 125 Cb -0.35 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 3djc s ILE 125 CO 0.29 0.49 0.37 -0.63 0.00 0.00 0.00 174.94 175.46 3djc s ILE 126 N 0.78 5.25 -0.22 2.92 1.01 -0.72 -0.72 121.20 129.50 3djc s ILE 126 Ca -0.10 0.73 0.01 0.00 0.00 0.00 0.00 60.65 61.29 3djc s ILE 126 Cb -0.16 -3.71 0.03 0.00 0.01 0.00 0.00 42.46 38.63 3djc s ILE 126 CO 0.01 0.37 -0.14 0.54 0.00 0.00 0.00 174.94 175.72 3djc s VAL 127 N 0.49 2.35 -0.29 2.92 0.11 -0.91 -0.31 120.40 124.75 3djc s VAL 127 Ca 0.21 -1.11 -0.17 0.00 -2.93 0.00 0.00 61.98 57.98 3djc s VAL 127 Cb -0.14 -2.14 -0.02 0.00 -1.53 0.00 0.00 36.38 32.55 3djc s VAL 127 CO 0.07 0.31 0.46 -0.63 -3.33 0.00 0.00 175.10 171.98 3djc s ILE 128 N 1.26 5.09 -0.47 7.04 1.01 0.31 -2.51 121.20 132.93 3djc s ILE 128 Ca 0.00 0.59 -0.12 0.00 0.00 0.00 0.00 60.65 61.12 3djc s ILE 128 Cb -0.16 -3.82 0.10 0.00 0.01 0.00 0.00 42.46 38.59 3djc s ILE 128 CO -0.08 0.02 0.37 -0.62 0.00 0.00 0.00 174.94 174.63 3djc s ASP 129 N 1.65 5.90 -1.22 3.58 3.68 -0.80 -1.05 116.67 128.41 3djc s ASP 129 Ca 0.18 -1.65 -0.18 0.00 2.13 0.00 0.00 52.55 53.03 3djc s ASP 129 Cb -0.16 -2.09 0.08 0.00 -1.45 0.00 0.00 42.92 39.30 3djc s ASP 129 CO 0.11 -0.68 1.62 -0.36 0.13 0.00 0.00 175.17 175.98 3djc s PHE 130 N 1.50 2.85 0.00 -5.34 0.40 0.37 -1.90 117.98 115.86 3djc s PHE 130 Ca 0.04 -1.55 0.00 0.00 -0.60 0.00 0.00 56.93 54.82 3djc s PHE 130 Cb -0.26 -4.67 0.00 0.00 0.51 0.00 0.00 43.02 38.61 3djc s PHE 130 CO 0.03 -1.76 0.00 0.41 0.70 0.00 0.00 175.22 174.59 3djc n GLY 131 N 5.49 5.30 0.13 4.36 0.00 -1.26 -2.22 105.19 116.99 3djc n GLY 131 Ca 0.43 -1.47 -0.07 0.00 0.00 0.00 0.00 46.02 44.91 3djc n GLY 131 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3djc h THR 132 N 0.00 0.84 -3.30 2.61 2.02 -1.97 -3.39 112.91 109.73 3djc h THR 132 Ca 0.00 -0.04 -0.67 0.00 0.77 0.00 0.00 66.41 66.47 3djc h THR 132 Cb 0.00 0.70 -0.16 0.00 -1.74 0.00 0.00 68.15 66.96 3djc h THR 132 CO 0.00 0.02 -0.62 0.00 0.37 0.00 0.00 175.52 175.30 3djc s ALA 133 N -6.18 3.28 -0.51 6.16 0.00 -1.26 -0.88 121.76 122.36 3djc s ALA 133 Ca -0.13 -0.80 -0.27 0.00 0.00 0.00 0.00 51.96 50.76 3djc s ALA 133 Cb 0.11 -1.55 0.03 0.00 0.00 0.00 0.00 23.12 21.71 3djc s ALA 133 CO 0.70 0.50 1.06 0.99 0.00 0.00 0.00 175.76 179.00 3djc s THR 134 N -0.60 4.27 0.16 0.00 2.01 -0.26 -4.55 115.64 116.68 3djc s THR 134 Ca 0.10 0.84 0.07 0.00 0.31 0.00 0.00 61.69 63.01 3djc s THR 134 Cb -0.12 -4.58 -0.04 0.00 0.01 0.00 0.00 72.50 67.78 3djc s THR 134 CO 0.02 -1.06 -0.03 0.42 -0.69 0.00 0.00 174.62 173.28 3djc s THR 135 N 4.29 3.61 -0.03 -0.82 -4.23 -0.80 -0.33 115.64 117.34 3djc s THR 135 Ca 0.40 -1.42 0.04 0.00 -1.18 0.00 0.00 61.69 59.53 3djc s THR 135 Cb -0.09 -2.79 -0.00 0.00 1.34 0.00 0.00 72.50 70.96 3djc s THR 135 CO 0.26 -0.07 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.78 3djc s PHE 136 N -1.64 1.37 -0.05 3.99 0.40 -0.13 -1.91 117.98 120.01 3djc s PHE 136 Ca 0.26 -0.36 -0.00 0.00 -0.60 0.00 0.00 56.93 56.23 3djc s PHE 136 Cb -0.10 -0.94 0.03 0.00 0.51 0.00 0.00 43.02 42.53 3djc s PHE 136 CO 0.17 -0.12 -0.00 0.00 0.70 0.00 0.00 175.22 175.97 3djc s ALA 138 N 1.55 3.47 -0.17 0.00 0.00 -0.76 -2.15 121.76 123.69 3djc s ALA 138 Ca -0.02 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.73 3djc s ALA 138 Cb -0.13 -2.94 0.02 0.00 0.00 0.00 0.00 23.12 20.07 3djc s ALA 138 CO -0.03 -1.25 -0.17 0.42 0.00 0.00 0.00 175.76 174.73 3djc s ILE 139 N 2.17 1.86 0.79 0.00 1.01 0.10 -0.73 121.20 126.41 3djc s ILE 139 Ca 0.14 -0.85 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 3djc s ILE 139 Cb -0.16 -1.72 0.07 0.00 0.01 0.00 0.00 42.46 40.65 3djc s ILE 139 CO 0.13 0.47 1.11 -0.94 0.00 0.00 0.00 174.94 175.71 3djc s SER 140 N 1.36 4.58 0.59 3.58 1.04 -0.66 0.26 113.70 124.46 3djc s SER 140 Ca 0.04 1.19 0.37 0.00 0.48 0.00 0.00 55.95 58.03 3djc s SER 140 Cb -0.13 -1.90 1.75 0.00 0.10 0.00 0.00 66.02 65.84 3djc s SER 140 CO -0.12 -1.90 2.13 1.12 0.98 0.00 0.00 173.24 175.45 3djc h HIS 141 N -1.04 0.00 -0.22 5.02 2.07 -1.92 -0.39 115.15 118.67 3djc h HIS 141 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 3djc h HIS 141 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 3djc h HIS 141 CO 0.44 0.01 0.00 1.63 -3.07 0.00 0.00 177.93 176.94 3djc n LYS 142 N -3.13 1.92 -3.47 5.12 5.02 -1.26 -4.48 118.16 117.87 3djc n LYS 142 Ca -0.01 -0.96 -0.18 0.00 -2.02 0.00 0.00 58.31 55.14 3djc n LYS 142 Cb 0.22 -1.46 0.07 0.00 -0.02 0.00 0.00 35.03 33.84 3djc n LYS 142 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3djc n LYS 143 N 0.21 -5.48 -3.69 1.97 5.02 -0.16 -4.79 118.16 111.25 3djc n LYS 143 Ca 0.09 0.79 -0.38 0.00 -2.02 0.00 0.00 58.31 56.79 3djc n LYS 143 Cb 0.38 -5.66 -0.12 0.00 -0.02 0.00 0.00 35.03 29.61 3djc n LYS 143 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3djc s ALA 144 N -3.44 3.23 -0.70 7.82 0.00 -1.23 -0.89 121.76 126.55 3djc s ALA 144 Ca 0.08 -1.32 -0.27 0.00 0.00 0.00 0.00 51.96 50.45 3djc s ALA 144 Cb -0.01 -2.28 0.01 0.00 0.00 0.00 0.00 23.12 20.83 3djc s ALA 144 CO 0.75 -0.79 1.54 -0.47 0.00 0.00 0.00 175.76 176.80 3djc s TYR 145 N 1.61 2.02 -0.43 0.00 5.04 0.25 -1.65 117.35 124.18 3djc s TYR 145 Ca 0.05 0.28 0.24 0.00 -2.44 0.00 0.00 57.07 55.21 3djc s TYR 145 Cb -0.17 -4.39 0.48 0.00 0.35 0.00 0.00 41.96 38.23 3djc s TYR 145 CO 0.05 -2.16 1.66 -0.07 -1.34 0.00 0.00 175.55 173.69 3djc h LEU 146 N 14.56 0.00 0.00 6.97 3.38 -1.19 0.91 115.31 139.94 3djc h LEU 146 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3djc h LEU 146 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3djc h LEU 146 CO 1.26 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.40 3djc n GLY 147 N 1.03 0.58 0.00 0.83 0.00 -1.25 -4.75 105.19 101.63 3djc n GLY 147 Ca 0.04 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3djc n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3djc n GLY 148 N 0.00 -0.56 3.37 -0.02 0.00 -1.26 -1.84 105.19 104.88 3djc n GLY 148 Ca 0.00 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 3djc n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djc s ALA 149 N -1.00 2.26 -0.15 4.61 0.00 -0.92 -4.99 121.76 121.57 3djc s ALA 149 Ca 0.00 -1.44 -0.01 0.00 0.00 0.00 0.00 51.96 50.51 3djc s ALA 149 Cb 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 23.12 22.82 3djc s ALA 149 CO 0.00 0.48 -0.02 0.42 0.00 0.00 0.00 175.76 176.63 3djc s ILE 150 N -1.19 0.80 0.21 0.00 1.01 -1.26 -0.96 121.20 119.80 3djc s ILE 150 Ca 0.13 -0.41 0.06 0.00 0.00 0.00 0.00 60.65 60.43 3djc s ILE 150 Cb -0.10 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 3djc s ILE 150 CO 0.06 0.10 0.18 -0.76 0.00 0.00 0.00 174.94 174.52 3djc s LEU 151 N 1.77 3.84 0.47 2.97 1.43 0.55 -5.00 118.68 124.72 3djc s LEU 151 Ca 0.02 -0.17 -0.22 0.00 -1.03 0.00 0.00 54.13 52.72 3djc s LEU 151 Cb -0.15 -2.41 -0.07 0.00 0.03 0.00 0.00 46.19 43.59 3djc s LEU 151 CO -0.07 0.01 1.16 -2.16 0.23 0.00 0.00 176.35 175.52 3djc s PRO 152 N -3.49 3.69 1.07 1.29 0.04 -1.26 -1.10 135.00 135.25 3djc s PRO 152 Ca 0.32 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 62.93 3djc s PRO 152 Cb -0.09 -2.34 0.24 0.00 0.04 0.00 0.00 34.50 32.35 3djc s PRO 152 CO 0.24 -0.60 1.23 0.20 0.04 0.00 0.00 177.00 178.11 3djc s GLY 153 N -1.43 1.69 0.33 0.56 0.00 -0.06 -4.16 107.32 104.25 3djc s GLY 153 Ca 0.65 -1.09 0.06 0.00 0.00 0.00 0.00 44.72 44.34 3djc s GLY 153 CO 0.33 -0.27 1.82 1.41 0.00 0.00 0.00 173.10 176.40 3djc h LEU 154 N -2.08 0.35 0.09 0.66 4.07 -1.84 -1.45 115.31 115.10 3djc h LEU 154 Ca -0.44 -0.09 -0.00 0.00 0.08 0.00 0.00 57.88 57.42 3djc h LEU 154 Cb 1.26 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.91 3djc h LEU 154 CO 0.36 0.55 -0.04 -0.09 -1.08 0.00 0.00 178.44 178.14 3djc h ARG 155 N 0.33 -0.11 -0.09 1.13 9.65 -1.90 -3.04 114.38 120.36 3djc h ARG 155 Ca 0.06 0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.89 3djc h ARG 155 Cb 0.51 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 3djc h ARG 155 CO 0.03 0.40 -0.22 -0.07 2.80 0.00 0.00 179.97 182.91 3djc h LEU 156 N -0.73 0.14 0.04 3.80 3.38 -1.82 -0.73 115.31 119.39 3djc h LEU 156 Ca -0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3djc h LEU 156 Cb 0.57 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3djc h LEU 156 CO 0.02 0.37 -0.02 0.28 0.09 0.00 0.00 178.44 179.19 3djc h SER 157 N 0.14 -0.04 -0.48 -0.43 0.02 -1.36 -0.28 113.55 111.11 3djc h SER 157 Ca 0.02 -0.38 -0.02 0.00 -0.84 0.00 0.00 61.79 60.57 3djc h SER 157 Cb 0.47 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 3djc h SER 157 CO 0.03 0.37 0.21 0.00 -1.14 0.00 0.00 176.83 176.30 3djc h ALA 158 N 0.49 0.63 0.00 3.77 0.00 -1.46 -3.02 119.26 119.67 3djc h ALA 158 Ca -0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3djc h ALA 158 Cb 0.42 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3djc h ALA 158 CO 0.01 0.22 -0.28 -0.44 0.00 0.00 0.00 179.25 178.76 3djc h ASP 159 N 0.64 0.00 0.01 0.00 3.45 -1.16 -2.63 116.42 116.73 3djc h ASP 159 Ca 0.16 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.54 3djc h ASP 159 Cb 0.17 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.93 3djc h ASP 159 CO -0.02 0.28 -0.24 0.00 -1.57 0.00 0.00 179.24 177.70 3djc h ALA 160 N 1.72 1.20 -0.16 3.45 0.00 -0.92 -2.48 119.26 122.06 3djc h ALA 160 Ca -0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 3djc h ALA 160 Cb 0.79 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3djc h ALA 160 CO 0.04 0.52 -0.37 -0.07 0.00 0.00 0.00 179.25 179.37 3djc h LEU 161 N 0.35 0.36 -0.12 0.00 3.38 -1.37 -3.16 115.31 114.75 3djc h LEU 161 Ca 0.05 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3djc h LEU 161 Cb 0.62 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3djc h LEU 161 CO 0.04 0.70 -0.73 -1.54 0.09 0.00 0.00 178.44 177.00 3djc n SER 162 N -4.05 0.92 -0.27 -0.43 3.41 -1.19 -3.36 113.62 108.64 3djc n SER 162 Ca -0.01 -0.78 0.12 0.00 -0.26 0.00 0.00 58.87 57.94 3djc n SER 162 Cb 0.46 0.63 0.13 0.00 -0.26 0.00 0.00 64.21 65.18 3djc n SER 162 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3djc n LYS 163 N -1.31 0.74 0.00 4.33 5.02 -0.94 -4.44 118.16 121.55 3djc n LYS 163 Ca 0.06 -0.54 0.00 0.00 -2.02 0.00 0.00 58.31 55.80 3djc n LYS 163 Cb 0.35 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 3djc n LYS 163 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3djc n ASN 164 N -0.66 0.89 -0.00 4.39 3.02 -1.20 -5.08 115.26 116.62 3djc n ASN 164 Ca 0.09 -0.30 -0.01 0.00 -0.03 0.00 0.00 54.58 54.34 3djc n ASN 164 Cb 0.39 0.77 -0.00 0.00 -0.61 0.00 0.00 39.78 40.33 3djc n ASN 164 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3djc n THR 165 N -0.86 0.19 0.00 3.41 -1.04 -1.21 -5.11 114.28 109.65 3djc n THR 165 Ca 0.00 0.22 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 3djc n THR 165 Cb 0.00 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 3djc n THR 165 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3djc n VAL 171 N -2.69 0.00 -4.55 12.58 3.14 -1.26 -4.87 118.33 120.67 3djc n VAL 171 Ca -0.01 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.04 3djc n VAL 171 Cb 0.03 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 32.69 3djc n VAL 171 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 3djc s GLU 172 N -2.59 3.23 -0.35 1.45 2.02 -1.26 -4.98 118.70 116.22 3djc s GLU 172 Ca 0.00 -0.55 -0.29 0.00 0.02 0.00 0.00 54.97 54.15 3djc s GLU 172 Cb 0.00 -2.73 -0.01 0.00 0.10 0.00 0.00 34.13 31.49 3djc s GLU 172 CO 0.00 0.43 1.59 0.42 0.02 0.00 0.00 175.26 177.72 3djc s ILE 173 N -0.16 3.71 0.15 -1.63 -1.09 -1.26 -5.00 121.20 115.92 3djc s ILE 173 Ca 0.02 0.74 0.10 0.00 -2.23 0.00 0.00 60.65 59.27 3djc s ILE 173 Cb -0.13 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 3djc s ILE 173 CO 0.03 -0.54 -0.22 0.27 -1.23 0.00 0.00 174.94 173.25 3djc s ILE 174 N 5.95 2.00 -0.61 2.92 -4.36 -1.26 -5.09 121.20 120.75 3djc s ILE 174 Ca 0.70 -1.85 -0.27 0.00 -0.26 0.00 0.00 60.65 58.97 3djc s ILE 174 Cb -0.19 -1.88 0.01 0.00 1.25 0.00 0.00 42.46 41.66 3djc s ILE 174 CO 0.32 -0.15 1.48 -0.75 0.24 0.00 0.00 174.94 176.08 3djc s LYS 175 N -2.47 3.15 0.33 0.37 2.20 -1.26 -4.81 119.74 117.24 3djc s LYS 175 Ca 0.15 0.34 -0.20 0.00 -0.36 0.00 0.00 55.97 55.90 3djc s LYS 175 Cb -0.08 -4.19 -0.09 0.00 -1.51 0.00 0.00 37.83 31.96 3djc s LYS 175 CO 0.07 -2.14 0.83 0.99 -0.36 0.00 0.00 175.35 174.74 3djc s THR 176 N 6.59 4.49 -0.29 3.43 2.01 -1.26 -4.99 115.64 125.61 3djc s THR 176 Ca 0.52 1.34 0.22 0.00 0.31 0.00 0.00 61.69 64.08 3djc s THR 176 Cb -0.11 -3.75 -0.20 0.00 0.01 0.00 0.00 72.50 68.46 3djc s THR 176 CO 0.22 -0.06 0.78 -0.62 -0.69 0.00 0.00 174.62 174.25 3djc n GLU 177 N 0.01 0.51 -3.94 4.92 -0.58 -1.26 -4.96 120.64 115.34 3djc n GLU 177 Ca 0.03 -0.06 -0.10 0.00 -0.42 0.00 0.00 57.16 56.61 3djc n GLU 177 Cb 0.52 -1.61 -0.11 0.00 -0.57 0.00 0.00 31.44 29.68 3djc n GLU 177 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3djc s SER 178 N -4.46 0.15 0.08 1.62 1.04 -1.26 -5.05 113.70 105.82 3djc s SER 178 Ca -0.02 -0.37 0.10 0.00 0.48 0.00 0.00 55.95 56.13 3djc s SER 178 Cb 0.13 0.14 -0.19 0.00 0.10 0.00 0.00 66.02 66.20 3djc s SER 178 CO 0.85 -0.31 1.09 -0.37 0.98 0.00 0.00 173.24 175.48 3djc h VAL 179 N 4.53 1.33 -2.50 5.02 -1.51 -1.93 -3.44 116.25 117.75 3djc h VAL 179 Ca -0.31 -3.05 -0.54 0.00 -1.23 0.00 0.00 66.70 61.57 3djc h VAL 179 Cb 1.20 2.65 -0.04 0.00 -2.13 0.00 0.00 31.29 32.97 3djc h VAL 179 CO 0.41 0.76 1.24 -0.69 -1.23 0.00 0.00 177.57 178.06 3djc s VAL 180 N -2.71 3.55 -0.20 7.19 1.01 -1.26 -4.85 120.40 123.13 3djc s VAL 180 Ca -0.01 0.47 -0.17 0.00 0.00 0.00 0.00 61.98 62.27 3djc s VAL 180 Cb 0.09 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 3djc s VAL 180 CO 0.82 -0.83 0.43 -0.83 0.00 0.00 0.00 175.10 174.69 3djc s GLY 181 N 6.20 2.07 -0.33 4.51 0.00 -1.26 -4.95 107.32 113.56 3djc s GLY 181 Ca 0.66 -0.50 0.08 0.00 0.00 0.00 0.00 44.72 44.96 3djc s GLY 181 CO 0.26 0.91 1.65 0.54 0.00 0.00 0.00 173.10 176.46 3djc n ARG 182 N 4.61 2.36 -3.76 2.90 1.74 -1.26 -4.76 116.66 118.49 3djc n ARG 182 Ca -0.07 -3.09 -0.10 0.00 -0.77 0.00 0.00 57.85 53.83 3djc n ARG 182 Cb 0.51 -1.99 -0.04 0.00 -1.02 0.00 0.00 32.46 29.92 3djc n ARG 182 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3djc s SER 183 N -1.88 -0.25 0.20 0.55 0.15 -1.26 -5.01 113.70 106.21 3djc s SER 183 Ca 0.50 -0.51 -0.03 0.00 0.70 0.00 0.00 55.95 56.61 3djc s SER 183 Cb 0.43 0.58 0.14 0.00 -1.71 0.00 0.00 66.02 65.46 3djc s SER 183 CO 0.06 -1.06 1.54 0.74 1.20 0.00 0.00 173.24 175.72 3djc h THR 184 N 2.20 1.31 -0.41 6.45 2.02 -1.99 -1.82 112.91 120.68 3djc h THR 184 Ca -0.28 -1.69 -0.05 0.00 0.77 0.00 0.00 66.41 65.15 3djc h THR 184 Cb 1.26 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 69.32 3djc h THR 184 CO 0.37 0.53 0.05 0.40 0.37 0.00 0.00 175.52 177.24 3djc h ILE 185 N 0.46 1.25 0.00 3.11 2.04 -2.00 -2.30 117.51 120.07 3djc h ILE 185 Ca 0.02 -0.90 -0.09 0.00 1.00 0.00 0.00 64.86 64.89 3djc h ILE 185 Cb 1.01 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 3djc h ILE 185 CO 0.09 0.31 -0.41 -0.33 0.00 0.00 0.00 178.15 177.81 3djc h GLU 186 N 0.53 0.00 -0.13 2.37 5.08 -1.94 -2.28 114.58 118.21 3djc h GLU 186 Ca 0.12 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.27 3djc h GLU 186 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3djc h GLU 186 CO 0.01 0.41 -0.75 0.77 -1.00 0.00 0.00 179.01 178.45 3djc h SER 187 N 0.00 0.78 0.55 1.42 0.02 -1.13 -1.11 113.55 114.08 3djc h SER 187 Ca -0.00 -0.51 -0.16 0.00 -0.84 0.00 0.00 61.79 60.27 3djc h SER 187 Cb 0.88 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 3djc h SER 187 CO 0.05 1.29 -0.73 -0.29 -1.14 0.00 0.00 176.83 176.01 3djc h ILE 188 N 0.45 1.46 -0.25 3.27 2.10 -1.39 -2.56 117.51 120.59 3djc h ILE 188 Ca -0.04 -2.34 -0.12 0.00 1.08 0.00 0.00 64.86 63.44 3djc h ILE 188 Cb 1.36 2.26 -0.01 0.00 -1.09 0.00 0.00 36.82 39.34 3djc h ILE 188 CO 0.15 0.68 -0.33 1.56 -1.08 0.00 0.00 178.15 179.12 3djc h GLN 189 N 0.10 0.54 0.00 2.19 4.20 -1.39 -2.81 115.11 117.94 3djc h GLN 189 Ca -0.02 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.45 3djc h GLN 189 Cb 1.29 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.06 3djc h GLN 189 CO 0.11 0.81 -0.66 0.43 -0.67 0.00 0.00 178.83 178.85 3djc n SER 190 N -4.07 0.67 -0.03 1.46 7.64 -0.42 -2.66 113.62 116.20 3djc n SER 190 Ca -0.01 0.06 -0.21 0.00 1.01 0.00 0.00 58.87 59.71 3djc n SER 190 Cb 0.47 0.24 -0.13 0.00 -1.01 0.00 0.00 64.21 63.78 3djc n SER 190 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3djc h GLY 191 N 4.56 0.18 1.35 0.23 0.00 -1.52 -3.29 103.07 104.58 3djc h GLY 191 Ca 0.00 -0.46 -0.14 0.00 0.00 0.00 0.00 47.33 46.72 3djc h GLY 191 CO 0.00 0.41 -0.38 -2.08 0.00 0.00 0.00 176.54 174.48 3djc h VAL 192 N -0.47 1.29 0.31 4.60 2.07 -1.62 0.58 116.25 123.02 3djc h VAL 192 Ca -0.34 -1.55 -0.02 0.00 0.82 0.00 0.00 66.70 65.62 3djc h VAL 192 Cb 1.65 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 3djc h VAL 192 CO -0.03 0.50 -0.15 0.22 0.02 0.00 0.00 177.57 178.13 3djc h TYR 193 N 0.59 -0.39 0.00 1.57 3.20 -1.71 -2.82 116.97 117.41 3djc h TYR 193 Ca 0.05 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3djc h TYR 193 Cb 0.92 0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.32 3djc h TYR 193 CO 0.05 -0.09 0.00 0.66 -1.64 0.00 0.00 178.16 177.13 3djc n TYR 194 N -5.06 0.94 -0.03 -3.82 4.01 -1.24 -1.76 117.16 110.19 3djc n TYR 194 Ca -0.07 0.30 -0.15 0.00 -0.16 0.00 0.00 57.90 57.81 3djc n TYR 194 Cb 0.24 -0.98 -0.10 0.00 -0.31 0.00 0.00 39.34 38.19 3djc n TYR 194 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3djc h GLY 195 N 3.91 0.28 1.74 2.72 0.00 -0.96 -2.03 103.07 108.72 3djc h GLY 195 Ca 0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 3djc h GLY 195 CO 0.00 0.36 -0.53 -2.08 0.00 0.00 0.00 176.54 174.29 3djc h VAL 196 N -0.30 1.35 -0.66 4.60 2.07 -1.46 0.49 116.25 122.34 3djc h VAL 196 Ca -0.02 -1.80 -0.01 0.00 0.82 0.00 0.00 66.70 65.69 3djc h VAL 196 Cb 0.93 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 3djc h VAL 196 CO 0.05 0.54 0.38 0.25 0.02 0.00 0.00 177.57 178.81 3djc h LEU 197 N 0.22 0.81 -0.23 2.57 7.12 -1.40 0.07 115.31 124.48 3djc h LEU 197 Ca 0.01 -0.08 -0.21 0.00 0.13 0.00 0.00 57.88 57.73 3djc h LEU 197 Cb 1.00 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.91 3djc h LEU 197 CO 0.08 0.66 -0.92 1.23 -0.13 0.00 0.00 178.44 179.37 3djc h GLY 198 N 0.90 0.22 0.98 3.75 0.00 -1.28 -2.57 103.07 105.07 3djc h GLY 198 Ca 0.23 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3djc h GLY 198 CO -0.04 0.36 0.29 0.00 0.00 0.00 0.00 176.54 177.15 3djc h ALA 199 N 0.93 0.66 0.56 3.60 0.00 -0.62 -0.27 119.26 124.13 3djc h ALA 199 Ca -0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3djc h ALA 199 Cb 1.56 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3djc h ALA 199 CO 0.14 0.18 -0.28 0.00 0.00 0.00 0.00 179.25 179.28 3djc h LYS 201 N -0.77 0.44 0.05 0.00 1.57 -1.27 0.54 116.57 117.13 3djc h LYS 201 Ca -0.08 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 3djc h LYS 201 Cb 0.60 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.82 3djc h LYS 201 CO 0.12 0.29 -0.35 1.49 -0.57 0.00 0.00 179.45 180.44 3djc h GLU 202 N 0.46 0.14 0.00 3.15 4.57 -0.97 -2.91 114.58 119.02 3djc h GLU 202 Ca 0.49 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.44 3djc h GLU 202 Cb 1.16 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.83 3djc h GLU 202 CO -0.21 1.08 -0.04 -0.07 -1.18 0.00 0.00 179.01 178.59 3djc h LEU 203 N -0.69 0.00 0.03 1.64 3.38 -0.27 -0.86 115.31 118.55 3djc h LEU 203 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3djc h LEU 203 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3djc h LEU 203 CO 0.07 0.04 -0.01 0.40 0.09 0.00 0.00 178.44 179.02 3djc h ILE 204 N 0.00 1.42 0.00 1.22 2.04 -0.08 -3.13 117.51 118.98 3djc h ILE 204 Ca -0.00 -1.63 -0.05 0.00 1.00 0.00 0.00 64.86 64.18 3djc h ILE 204 Cb 0.67 2.47 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 3djc h ILE 204 CO 0.01 0.40 -0.24 0.06 0.00 0.00 0.00 178.15 178.37 3djc h GLN 205 N -0.78 0.00 0.25 2.37 3.07 -1.34 -2.00 115.11 116.68 3djc h GLN 205 Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.40 3djc h GLN 205 Cb 0.69 0.00 0.04 0.00 0.08 0.00 0.00 27.48 28.29 3djc h GLN 205 CO 0.01 0.24 -1.50 0.00 0.09 0.00 0.00 178.83 177.67 3djc h ARG 206 N 0.00 0.53 -0.43 0.06 2.47 -1.30 -3.18 114.38 112.52 3djc h ARG 206 Ca -0.00 -0.90 -0.08 0.00 -1.26 0.00 0.00 59.98 57.74 3djc h ARG 206 Cb 0.74 0.33 -0.01 0.00 -1.65 0.00 0.00 29.97 29.38 3djc h ARG 206 CO 0.03 1.43 -0.05 0.82 0.56 0.00 0.00 179.97 182.76 3djc h ILE 207 N 0.14 1.27 -0.95 2.04 2.04 -1.47 -1.42 117.51 119.16 3djc h ILE 207 Ca -0.26 -1.13 0.12 0.00 1.00 0.00 0.00 64.86 64.59 3djc h ILE 207 Cb 2.16 1.12 -0.08 0.00 -0.74 0.00 0.00 36.82 39.29 3djc h ILE 207 CO 0.27 0.39 0.60 -0.74 0.00 0.00 0.00 178.15 178.67 3djc h HIS 208 N 0.63 1.01 0.00 1.37 2.76 -1.48 0.42 115.15 119.86 3djc h HIS 208 Ca 0.12 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.13 3djc h HIS 208 Cb 0.57 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 29.18 3djc h HIS 208 CO 0.04 0.41 -1.14 0.45 -1.30 0.00 0.00 177.93 176.39 3djc h HIS 209 N 0.89 0.00 0.00 5.26 3.86 -1.51 0.61 115.15 124.25 3djc h HIS 209 Ca 0.47 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.51 3djc h HIS 209 Cb 0.54 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 3djc h HIS 209 CO -0.00 0.72 -1.02 0.93 0.86 0.00 0.00 177.93 179.41 3djc h GLU 210 N 0.00 0.00 0.00 2.45 5.08 -0.66 -3.31 114.58 118.14 3djc h GLU 210 Ca -0.11 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.08 3djc h GLU 210 Cb 1.65 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.87 3djc h GLU 210 CO 0.07 0.77 -1.28 0.00 -1.00 0.00 0.00 179.01 177.57 3djc h ALA 211 N -0.59 0.65 0.00 3.43 0.00 -0.41 -3.40 119.26 118.94 3djc h ALA 211 Ca -0.25 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 53.85 3djc h ALA 211 Cb 1.10 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3djc h ALA 211 CO -0.15 0.90 -0.80 1.19 0.00 0.00 0.00 179.25 180.39 3djc n PHE 212 N -2.95 0.00 -0.07 0.00 3.01 -1.23 -5.01 117.46 111.20 3djc n PHE 212 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 3djc n PHE 212 Cb 0.83 0.04 0.00 0.00 -0.01 0.00 0.00 39.48 40.35 3djc n PHE 212 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3djc n ASN 213 N -2.55 -0.06 0.00 4.37 2.85 0.21 -4.29 115.26 115.78 3djc n ASN 213 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3djc n ASN 213 Cb 0.40 -0.02 0.00 0.00 1.24 0.00 0.00 39.78 41.40 3djc n ASN 213 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3djc n GLY 214 N -1.20 1.39 3.92 8.20 0.00 -0.97 -4.88 105.19 111.64 3djc n GLY 214 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3djc n GLY 214 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3djc s ASP 215 N -0.64 5.42 0.19 1.61 -0.00 -1.26 -5.00 116.67 116.99 3djc s ASP 215 Ca 0.00 0.65 -0.33 0.00 -0.00 0.00 0.00 52.55 52.87 3djc s ASP 215 Cb 0.00 -1.57 -0.14 0.00 -0.00 0.00 0.00 42.92 41.21 3djc s ASP 215 CO 0.00 -1.18 1.42 0.00 -0.00 0.00 0.00 175.17 175.41 3djc n GLN 216 N -2.65 1.87 -4.20 8.23 3.00 -1.26 -5.02 117.38 117.35 3djc n GLN 216 Ca 0.05 0.67 -0.16 0.00 -0.01 0.00 0.00 57.00 57.55 3djc n GLN 216 Cb 0.58 -2.34 -0.11 0.00 0.00 0.00 0.00 30.24 28.37 3djc n GLN 216 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 3djc s ILE 217 N 0.28 1.11 -0.23 5.09 -4.36 -1.26 -4.39 121.20 117.43 3djc s ILE 217 Ca 0.74 -1.63 0.02 0.00 -0.26 0.00 0.00 60.65 59.52 3djc s ILE 217 Cb -0.72 -1.39 0.05 0.00 1.25 0.00 0.00 42.46 41.66 3djc s ILE 217 CO 0.46 -0.47 -0.12 -0.22 0.24 0.00 0.00 174.94 174.83 3djc s LEU 218 N -2.37 2.89 -0.23 0.37 2.96 0.78 -5.01 118.68 118.08 3djc s LEU 218 Ca 0.06 -1.14 -0.17 0.00 -0.22 0.00 0.00 54.13 52.66 3djc s LEU 218 Cb -0.04 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 3djc s LEU 218 CO 0.01 -0.15 0.45 -0.63 -1.32 0.00 0.00 176.35 174.71 3djc s ILE 219 N 1.22 5.14 0.00 6.68 1.01 -1.26 -1.76 121.20 132.24 3djc s ILE 219 Ca -0.05 0.78 0.05 0.00 0.00 0.00 0.00 60.65 61.43 3djc s ILE 219 Cb -0.18 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 3djc s ILE 219 CO -0.07 0.18 -0.14 -0.76 0.00 0.00 0.00 174.94 174.15 3djc s LEU 220 N 1.75 2.79 0.05 2.97 1.02 0.57 -0.83 118.68 127.01 3djc s LEU 220 Ca 0.20 -0.28 0.09 0.00 0.02 0.00 0.00 54.13 54.16 3djc s LEU 220 Cb -0.15 -1.61 -0.03 0.00 0.02 0.00 0.00 46.19 44.42 3djc s LEU 220 CO 0.09 0.29 -0.25 0.00 0.02 0.00 0.00 176.35 176.50 3djc s ALA 221 N -0.88 2.31 0.29 4.21 0.00 0.21 -0.53 121.76 127.38 3djc s ALA 221 Ca 0.14 -1.27 -0.09 0.00 0.00 0.00 0.00 51.96 50.75 3djc s ALA 221 Cb -0.11 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.50 3djc s ALA 221 CO 0.04 0.54 0.48 -0.08 0.00 0.00 0.00 175.76 176.74 3djc s THR 222 N -0.84 0.00 0.00 0.00 -1.32 -0.22 -0.79 115.64 112.48 3djc s THR 222 Ca 0.12 -1.48 0.00 0.00 -1.21 0.00 0.00 61.69 59.12 3djc s THR 222 Cb -0.10 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.45 3djc s THR 222 CO 0.03 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 3djc n GLY 223 N -0.46 -0.06 0.09 6.08 0.00 -1.26 -0.48 105.19 109.10 3djc n GLY 223 Ca -0.01 -1.84 -0.05 0.00 0.00 0.00 0.00 46.02 44.13 3djc n GLY 223 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3djc h GLY 224 N 0.00 0.00 -1.51 -0.02 0.00 -1.83 -3.25 103.07 96.46 3djc h GLY 224 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3djc h GLY 224 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.23 3djc n PHE 225 N -3.40 0.47 0.13 5.60 3.01 -1.05 -4.14 117.46 118.08 3djc n PHE 225 Ca 0.00 -0.23 -0.01 0.00 1.01 0.00 0.00 57.45 58.21 3djc n PHE 225 Cb 0.85 0.00 0.16 0.00 -0.01 0.00 0.00 39.48 40.48 3djc n PHE 225 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3djc h ALA 226 N 4.02 0.93 -0.37 4.37 0.00 -1.75 -3.33 119.26 123.14 3djc h ALA 226 Ca 0.00 -0.58 0.03 0.00 0.00 0.00 0.00 54.91 54.37 3djc h ALA 226 Cb 0.63 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3djc h ALA 226 CO 0.00 0.79 0.25 0.77 0.00 0.00 0.00 179.25 181.06 3djc h SER 227 N 0.00 0.32 1.11 0.00 0.02 -1.81 -3.01 113.55 110.18 3djc h SER 227 Ca -0.01 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3djc h SER 227 Cb 1.14 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.60 3djc h SER 227 CO 0.08 0.22 0.00 -0.07 -1.14 0.00 0.00 176.83 175.93 3djc h LEU 228 N 0.38 0.00 -3.71 5.07 3.38 -1.89 -3.30 115.31 115.23 3djc h LEU 228 Ca 0.15 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.68 3djc h LEU 228 Cb 0.13 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 40.63 3djc h LEU 228 CO -0.03 0.00 0.18 0.49 0.09 0.00 0.00 178.44 179.16 3djc n PHE 229 N -2.84 2.31 0.33 1.13 3.72 -1.14 -4.59 117.46 116.39 3djc n PHE 229 Ca 0.02 -2.12 0.12 0.00 -0.05 0.00 0.00 57.45 55.42 3djc n PHE 229 Cb 0.33 -0.80 0.19 0.00 -0.94 0.00 0.00 39.48 38.25 3djc n PHE 229 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3djc h ASP 230 N 1.44 0.00 0.70 4.37 -0.00 -1.78 -3.35 116.42 117.79 3djc h ASP 230 Ca 0.43 -0.02 -0.26 0.00 -0.00 0.00 0.00 57.03 57.17 3djc h ASP 230 Cb 1.69 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 41.00 3djc h ASP 230 CO 0.90 0.01 -1.33 0.50 -0.00 0.00 0.00 179.24 179.32 3djc h LYS 231 N 0.00 0.09 -0.17 0.28 1.63 -1.90 -3.38 116.57 113.12 3djc h LYS 231 Ca 0.00 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 3djc h LYS 231 Cb 0.91 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 3djc h LYS 231 CO 0.00 0.94 0.00 1.04 -3.45 0.00 0.00 179.45 177.98 3djc n GLN 232 N -3.32 1.42 -3.59 1.90 3.00 -1.26 -4.89 117.38 110.64 3djc n GLN 232 Ca -0.09 -0.65 -0.21 0.00 -0.01 0.00 0.00 57.00 56.04 3djc n GLN 232 Cb 1.00 -1.18 0.06 0.00 0.00 0.00 0.00 30.24 30.13 3djc n GLN 232 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3djc n GLY 233 N 0.82 -0.38 0.12 1.08 0.00 -1.26 -4.95 105.19 100.63 3djc n GLY 233 Ca 0.08 0.14 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 3djc n GLY 233 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3djc n LEU 234 N -4.36 1.98 -4.61 0.99 7.94 -1.26 -4.98 117.00 112.69 3djc n LEU 234 Ca -0.22 0.37 -0.26 0.00 -1.11 0.00 0.00 56.01 54.79 3djc n LEU 234 Cb 0.64 -0.94 -0.10 0.00 0.53 0.00 0.00 43.42 43.56 3djc n LEU 234 CO 0.65 0.42 -0.31 -0.72 -1.11 0.00 0.00 177.39 176.33 3djc s TYR 235 N -2.42 2.50 -0.23 1.96 1.13 -1.26 -4.98 117.35 114.05 3djc s TYR 235 Ca -0.31 -0.57 -0.16 0.00 -1.41 0.00 0.00 57.07 54.62 3djc s TYR 235 Cb 0.09 -1.63 -0.17 0.00 -1.10 0.00 0.00 41.96 39.15 3djc s TYR 235 CO 0.58 0.47 0.01 -0.25 -2.51 0.00 0.00 175.55 173.85 3djc n ASP 236 N -0.94 1.93 -4.13 -0.18 8.00 -0.01 -4.98 116.55 116.25 3djc n ASP 236 Ca -0.04 0.33 -0.23 0.00 0.71 0.00 0.00 54.79 55.56 3djc n ASP 236 Cb 0.65 -0.87 -0.15 0.00 -0.02 0.00 0.00 41.12 40.73 3djc n ASP 236 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3djc s HIS 237 N -2.45 1.32 -0.41 1.24 3.76 -1.12 -5.06 115.29 112.57 3djc s HIS 237 Ca -0.32 -0.26 -0.08 0.00 -0.15 0.00 0.00 55.06 54.25 3djc s HIS 237 Cb 0.09 -0.84 0.08 0.00 1.11 0.00 0.00 32.58 33.02 3djc s HIS 237 CO 0.58 -0.01 0.24 -1.17 -0.85 0.00 0.00 174.74 173.53 3djc s LEU 238 N -0.46 5.09 -0.51 0.89 0.20 -1.26 -0.62 118.68 122.01 3djc s LEU 238 Ca 0.05 -1.53 -0.06 0.00 0.69 0.00 0.00 54.13 53.28 3djc s LEU 238 Cb -0.06 -1.96 0.13 0.00 -0.43 0.00 0.00 46.19 43.87 3djc s LEU 238 CO -0.00 -0.52 0.34 -0.69 -0.29 0.00 0.00 176.35 175.19 3djc s VAL 239 N 1.39 3.88 -0.24 1.68 1.01 0.03 -4.96 120.40 123.20 3djc s VAL 239 Ca 0.03 -2.17 0.28 0.00 0.00 0.00 0.00 61.98 60.12 3djc s VAL 239 Cb -0.23 -3.57 0.33 0.00 0.00 0.00 0.00 36.38 32.92 3djc s VAL 239 CO 0.01 -0.79 1.83 -0.65 0.00 0.00 0.00 175.10 175.51 3djc h PRO 240 N 7.97 0.00 -0.37 2.72 0.11 -1.93 -3.00 132.00 137.50 3djc h PRO 240 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 3djc h PRO 240 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3djc h PRO 240 CO 0.77 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.31 3djc n ASP 241 N -2.76 3.01 -0.32 -2.05 10.43 -1.26 -4.54 116.55 119.05 3djc n ASP 241 Ca 0.02 -1.92 0.16 0.00 2.57 0.00 0.00 54.79 55.63 3djc n ASP 241 Cb 0.33 -0.24 0.36 0.00 1.84 0.00 0.00 41.12 43.41 3djc n ASP 241 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3djc h LEU 242 N 2.71 0.47 -0.25 0.64 5.85 -1.91 -0.26 115.31 122.57 3djc h LEU 242 Ca 0.00 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 3djc h LEU 242 Cb 0.76 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 3djc h LEU 242 CO 0.00 0.01 0.05 1.62 -0.34 0.00 0.00 178.44 179.78 3djc h VAL 243 N 0.45 1.22 -0.80 1.05 3.04 -1.85 -2.72 116.25 116.64 3djc h VAL 243 Ca 0.62 -0.74 -0.05 0.00 -1.01 0.00 0.00 66.70 65.52 3djc h VAL 243 Cb 1.22 1.23 -0.04 0.00 -2.01 0.00 0.00 31.29 31.69 3djc h VAL 243 CO -0.53 0.24 0.31 -0.07 -1.01 0.00 0.00 177.57 176.51 3djc h LEU 244 N 0.22 1.11 -0.83 3.16 3.38 -1.43 -0.83 115.31 120.09 3djc h LEU 244 Ca 0.08 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3djc h LEU 244 Cb 0.31 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3djc h LEU 244 CO 0.00 0.98 0.50 1.56 0.09 0.00 0.00 178.44 181.58 3djc h GLN 245 N 1.16 1.12 0.00 1.13 4.20 -1.38 -2.47 115.11 118.88 3djc h GLN 245 Ca 0.27 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3djc h GLN 245 Cb 0.23 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.77 3djc h GLN 245 CO -0.02 0.79 -0.02 0.78 -0.67 0.00 0.00 178.83 179.69 3djc h GLY 246 N 1.14 0.00 1.36 3.46 0.00 -1.08 -0.89 103.07 107.07 3djc h GLY 246 Ca 0.30 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.37 3djc h GLY 246 CO -0.06 0.00 -1.08 -2.22 0.00 0.00 0.00 176.54 173.19 3djc h ILE 247 N 0.00 1.34 -0.28 2.60 2.04 -1.03 -3.10 117.51 119.07 3djc h ILE 247 Ca 0.00 -2.43 -0.04 0.00 1.00 0.00 0.00 64.86 63.39 3djc h ILE 247 Cb 0.75 2.51 -0.01 0.00 -0.74 0.00 0.00 36.82 39.33 3djc h ILE 247 CO 0.00 0.74 0.01 -0.09 0.00 0.00 0.00 178.15 178.81 3djc h ARG 248 N 0.29 0.49 -0.54 2.37 2.43 -1.11 -2.96 114.38 115.35 3djc h ARG 248 Ca -0.13 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 58.84 3djc h ARG 248 Cb 1.73 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 31.21 3djc h ARG 248 CO 0.20 0.64 0.13 -0.07 -1.51 0.00 0.00 179.97 179.36 3djc h LEU 249 N 0.29 0.78 -0.80 3.80 4.07 -1.28 -1.43 115.31 120.75 3djc h LEU 249 Ca 0.08 -0.14 -0.07 0.00 0.08 0.00 0.00 57.88 57.83 3djc h LEU 249 Cb 0.40 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 3djc h LEU 249 CO 0.01 0.77 -0.35 0.00 -1.08 0.00 0.00 178.44 177.79 3djc h ALA 250 N 1.34 0.94 0.00 1.53 0.00 -1.57 -1.33 119.26 120.17 3djc h ALA 250 Ca 0.18 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 3djc h ALA 250 Cb 0.30 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3djc h ALA 250 CO -0.00 0.43 -0.69 0.00 0.00 0.00 0.00 179.25 178.99 3djc h ALA 251 N 1.65 0.66 -0.00 0.00 0.00 -1.27 -2.99 119.26 117.31 3djc h ALA 251 Ca -0.00 -0.63 -0.19 0.00 0.00 0.00 0.00 54.91 54.09 3djc h ALA 251 Cb 0.95 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3djc h ALA 251 CO 0.05 0.86 -0.85 1.98 0.00 0.00 0.00 179.25 181.29 3djc h MET 252 N 0.00 0.19 0.00 0.00 -1.53 -0.89 -3.21 114.93 109.49 3djc h MET 252 Ca -0.01 -0.20 -0.10 0.00 -3.44 0.00 0.00 59.70 55.96 3djc h MET 252 Cb 1.40 0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 32.49 3djc h MET 252 CO 0.09 0.93 -0.47 0.52 0.14 0.00 0.00 176.91 178.11 3djc h MET 253 N 0.11 0.00 0.00 0.39 2.86 -1.27 -3.46 114.93 113.56 3djc h MET 253 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3djc h MET 253 Cb 1.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.12 3djc h MET 253 CO 0.13 0.47 0.00 0.09 1.06 0.00 0.00 176.91 178.66 3djc n ASN 254 N -3.51 1.05 0.00 1.22 3.02 -1.13 -4.92 115.26 110.99 3djc n ASN 254 Ca 0.00 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 3djc n ASN 254 Cb 0.59 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 3djc n ASN 254 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71