#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 4.47 -0.37 -0.08 -1.16 -1.02 -2.35 121.20 120.70 3djc s ILE 2 Ca 0.00 -0.16 -0.10 0.00 -0.51 0.00 0.00 60.65 59.88 3djc s ILE 2 Cb 0.00 -2.97 0.03 0.00 0.61 0.00 0.00 42.46 40.13 3djc s ILE 2 CO 0.00 0.51 0.19 -0.22 -2.81 0.00 0.00 174.94 172.60 3djc s LEU 3 N 0.06 4.66 -0.30 8.50 2.96 -0.58 -0.69 118.68 133.29 3djc s LEU 3 Ca 0.03 -1.06 -0.10 0.00 -0.22 0.00 0.00 54.13 52.78 3djc s LEU 3 Cb -0.13 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 3djc s LEU 3 CO 0.01 -0.38 0.15 0.00 -1.32 0.00 0.00 176.35 174.81 3djc s ILE 5 N 1.64 4.01 -0.15 0.00 1.01 0.29 -1.31 121.20 126.69 3djc s ILE 5 Ca 0.05 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.39 3djc s ILE 5 Cb -0.17 -2.74 0.00 0.00 0.01 0.00 0.00 42.46 39.56 3djc s ILE 5 CO 0.07 0.51 -0.17 -0.62 0.00 0.00 0.00 174.94 174.73 3djc s ASP 6 N 0.10 3.46 -0.44 3.58 2.15 0.34 -1.27 116.67 124.60 3djc s ASP 6 Ca 0.00 -0.52 -0.13 0.00 0.43 0.00 0.00 52.55 52.33 3djc s ASP 6 Cb -0.13 -1.52 0.06 0.00 -0.30 0.00 0.00 42.92 41.03 3djc s ASP 6 CO 0.02 0.07 0.32 -0.69 -0.17 0.00 0.00 175.17 174.73 3djc s VAL 7 N 0.87 4.83 0.05 1.11 1.01 -0.17 0.31 120.40 128.41 3djc s VAL 7 Ca -0.05 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 60.82 3djc s VAL 7 Cb -0.15 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.37 3djc s VAL 7 CO -0.02 -0.49 0.06 0.61 0.00 0.00 0.00 175.10 175.26 3djc n GLY 8 N 5.08 2.01 0.08 4.51 0.00 0.62 -2.35 105.19 115.14 3djc n GLY 8 Ca -0.11 -2.14 -0.05 0.00 0.00 0.00 0.00 46.02 43.71 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 0.01 0.00 0.00 1.61 -0.26 -1.96 -3.38 115.58 111.60 3djc h ASN 9 Ca -0.02 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.40 3djc h ASN 9 Cb 0.10 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.30 3djc h ASN 9 CO 0.03 0.90 -2.22 -1.54 -1.06 0.00 0.00 177.43 173.54 3djc n SER 10 N -3.28 2.07 -4.21 5.81 3.41 -1.26 -4.79 113.62 111.37 3djc n SER 10 Ca -0.02 -0.10 -0.14 0.00 -0.26 0.00 0.00 58.87 58.36 3djc n SER 10 Cb 0.91 -0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 64.63 3djc n SER 10 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3djc s HIS 11 N -2.43 1.13 -0.46 7.33 3.76 -1.26 -2.88 115.29 120.48 3djc s HIS 11 Ca -0.26 -0.76 -0.13 0.00 -0.15 0.00 0.00 55.06 53.76 3djc s HIS 11 Cb 0.07 -0.60 0.08 0.00 1.11 0.00 0.00 32.58 33.24 3djc s HIS 11 CO 0.53 0.01 0.36 0.42 -0.85 0.00 0.00 174.74 175.21 3djc s ILE 12 N -3.12 4.83 -0.23 0.60 1.01 0.38 -0.27 121.20 124.40 3djc s ILE 12 Ca 0.12 -1.27 -0.09 0.00 0.00 0.00 0.00 60.65 59.42 3djc s ILE 12 Cb 0.01 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 3djc s ILE 12 CO -0.01 -0.60 0.11 -0.47 0.00 0.00 0.00 174.94 173.98 3djc s TYR 13 N 1.55 3.24 0.20 3.97 5.04 0.15 -1.23 117.35 130.27 3djc s TYR 13 Ca 0.04 0.04 0.06 0.00 -2.44 0.00 0.00 57.07 54.77 3djc s TYR 13 Cb -0.25 -2.21 -0.05 0.00 0.35 0.00 0.00 41.96 39.81 3djc s TYR 13 CO 0.04 -0.01 -0.11 0.20 -1.34 0.00 0.00 175.55 174.34 3djc s GLY 14 N 1.00 1.38 -0.28 8.97 0.00 -0.81 0.13 107.32 117.70 3djc s GLY 14 Ca 0.06 -1.65 -0.15 0.00 0.00 0.00 0.00 44.72 42.98 3djc s GLY 14 CO 0.03 -1.71 0.75 -0.32 0.00 0.00 0.00 173.10 171.86 3djc s GLY 15 N -3.29 -0.51 -0.17 0.20 0.00 -0.43 -1.85 107.32 101.27 3djc s GLY 15 Ca 0.22 2.58 -0.16 0.00 0.00 0.00 0.00 44.72 47.37 3djc s GLY 15 CO 0.06 2.54 0.38 0.54 0.00 0.00 0.00 173.10 176.62 3djc s VAL 16 N 1.74 5.23 -0.23 1.40 0.11 -0.59 -1.80 120.40 126.27 3djc s VAL 16 Ca -0.09 0.70 -0.12 0.00 -2.93 0.00 0.00 61.98 59.54 3djc s VAL 16 Cb -0.06 -3.71 -0.05 0.00 -1.53 0.00 0.00 36.38 31.04 3djc s VAL 16 CO -0.19 0.31 0.21 -0.36 -3.33 0.00 0.00 175.10 171.75 3djc s PHE 17 N 0.89 3.33 -1.14 1.54 0.40 0.13 -1.05 117.98 122.08 3djc s PHE 17 Ca 0.19 0.31 -0.20 0.00 -0.60 0.00 0.00 56.93 56.64 3djc s PHE 17 Cb -0.14 -2.32 0.07 0.00 0.51 0.00 0.00 43.02 41.13 3djc s PHE 17 CO 0.07 0.05 1.55 0.34 0.70 0.00 0.00 175.22 177.93 3djc s ASP 18 N 1.04 6.68 0.00 1.36 2.15 -0.30 -2.42 116.67 125.18 3djc s ASP 18 Ca 0.10 -1.98 0.00 0.00 0.43 0.00 0.00 52.55 51.10 3djc s ASP 18 Cb -0.14 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 3djc s ASP 18 CO 0.05 -1.30 0.00 0.61 -0.17 0.00 0.00 175.17 174.36 3djc n GLY 19 N 6.05 1.32 0.00 2.66 0.00 -1.26 -2.93 105.19 111.04 3djc n GLY 19 Ca 0.39 0.32 -0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 2.89 4.81 -4.53 1.61 4.64 -1.26 -4.99 116.55 119.72 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 0.45 -0.12 0.00 -1.04 0.00 0.00 41.12 40.42 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 -2.01 3.54 -0.04 -0.67 -1.05 -1.15 -5.04 118.70 112.28 3djc s GLU 21 Ca -0.00 -0.50 -0.30 0.00 -0.15 0.00 0.00 54.97 54.02 3djc s GLU 21 Cb 0.00 -2.89 -0.05 0.00 -0.44 0.00 0.00 34.13 30.75 3djc s GLU 21 CO 0.01 0.33 1.54 0.42 0.95 0.00 0.00 175.26 178.51 3djc s ILE 22 N 0.13 3.65 -0.08 1.83 1.09 -1.26 -1.14 121.20 125.41 3djc s ILE 22 Ca -0.01 0.89 0.21 0.00 -1.10 0.00 0.00 60.65 60.65 3djc s ILE 22 Cb -0.14 -3.58 -0.29 0.00 -1.06 0.00 0.00 42.46 37.40 3djc s ILE 22 CO 0.03 -0.05 0.48 1.17 -0.10 0.00 0.00 174.94 176.46 3djc n LYS 23 N 6.43 0.66 -3.65 2.79 4.81 -0.22 -4.93 118.16 124.05 3djc n LYS 23 Ca 0.16 -0.13 -0.13 0.00 -0.87 0.00 0.00 58.31 57.34 3djc n LYS 23 Cb 0.43 -1.56 -0.08 0.00 0.02 0.00 0.00 35.03 33.85 3djc n LYS 23 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3djc s LEU 24 N -4.79 -0.54 0.08 3.14 2.96 -1.23 -5.03 118.68 113.28 3djc s LEU 24 Ca -0.07 1.33 0.03 0.00 -0.22 0.00 0.00 54.13 55.19 3djc s LEU 24 Cb 0.12 2.23 -0.03 0.00 0.50 0.00 0.00 46.19 49.00 3djc s LEU 24 CO 0.88 -0.23 -0.09 0.00 -1.32 0.00 0.00 176.35 175.60 3djc s ARG 25 N 0.56 0.76 0.24 1.98 3.03 -1.26 -1.54 118.95 122.71 3djc s ARG 25 Ca -0.02 -1.10 -0.14 0.00 2.03 0.00 0.00 55.73 56.50 3djc s ARG 25 Cb -0.05 -0.39 0.00 0.00 -1.03 0.00 0.00 34.95 33.49 3djc s ARG 25 CO -0.02 0.05 0.50 -0.59 -1.13 0.00 0.00 175.30 174.11 3djc s PHE 26 N -2.47 0.21 -0.02 5.89 -0.71 -0.77 -5.00 117.98 115.11 3djc s PHE 26 Ca 0.03 -0.59 -0.08 0.00 -1.04 0.00 0.00 56.93 55.26 3djc s PHE 26 Cb -0.03 0.27 0.01 0.00 -1.21 0.00 0.00 43.02 42.06 3djc s PHE 26 CO -0.01 -0.99 0.17 0.50 -1.34 0.00 0.00 175.22 173.55 3djc s ARG 27 N -3.98 0.44 0.11 1.99 3.52 -1.26 -1.92 118.95 117.85 3djc s ARG 27 Ca 0.18 -0.20 0.02 0.00 -0.13 0.00 0.00 55.73 55.60 3djc s ARG 27 Cb -0.01 0.19 -0.04 0.00 -1.56 0.00 0.00 34.95 33.53 3djc s ARG 27 CO 0.06 -0.10 -0.06 -1.58 -0.81 0.00 0.00 175.30 172.81 3djc s HIS 28 N -1.00 0.93 0.37 5.12 5.65 -0.36 -4.97 115.29 121.02 3djc s HIS 28 Ca -0.11 -0.92 -0.26 0.00 0.25 0.00 0.00 55.06 54.03 3djc s HIS 28 Cb -0.06 -0.53 -0.09 0.00 -1.18 0.00 0.00 32.58 30.72 3djc s HIS 28 CO 0.02 -0.15 1.08 0.99 -0.65 0.00 0.00 174.74 176.03 3djc s THR 29 N -3.62 3.56 -0.57 0.89 2.01 -1.26 -0.47 115.64 116.19 3djc s THR 29 Ca 0.13 1.32 -0.19 0.00 0.31 0.00 0.00 61.69 63.26 3djc s THR 29 Cb 0.05 -3.74 0.09 0.00 0.01 0.00 0.00 72.50 68.91 3djc s THR 29 CO -0.04 0.12 0.68 -0.94 -0.69 0.00 0.00 174.62 173.75 3djc s SER 30 N -1.31 6.19 0.23 3.53 1.04 -1.14 -4.44 113.70 117.80 3djc s SER 30 Ca 0.54 -1.30 -0.02 0.00 0.48 0.00 0.00 55.95 55.65 3djc s SER 30 Cb -0.26 -2.30 0.01 0.00 0.10 0.00 0.00 66.02 63.57 3djc s SER 30 CO 0.33 -1.05 0.33 2.29 0.98 0.00 0.00 173.24 176.12 3djc n LYS 31 N 6.28 0.48 -1.83 4.02 -0.00 -1.26 -4.88 118.16 120.97 3djc n LYS 31 Ca -0.09 -1.76 -0.42 0.00 -0.00 0.00 0.00 58.31 56.04 3djc n LYS 31 Cb 0.43 1.74 -0.03 0.00 -0.00 0.00 0.00 35.03 37.17 3djc n LYS 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3djc s VAL 32 N -2.65 3.27 0.09 0.58 0.11 -1.26 -4.82 120.40 115.71 3djc s VAL 32 Ca 0.18 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.50 3djc s VAL 32 Cb -0.01 -3.38 -0.04 0.00 -1.53 0.00 0.00 36.38 31.42 3djc s VAL 32 CO 0.13 -0.25 -0.04 -0.44 -3.33 0.00 0.00 175.10 171.16 3djc s SER 33 N 7.32 0.84 0.47 3.54 0.01 -1.26 -5.15 113.70 119.47 3djc s SER 33 Ca 0.88 -1.03 0.07 0.00 1.31 0.00 0.00 55.95 57.18 3djc s SER 33 Cb -0.26 0.15 0.03 0.00 0.21 0.00 0.00 66.02 66.15 3djc s SER 33 CO 0.33 -0.54 0.65 0.42 0.41 0.00 0.00 173.24 174.51 3djc s THR 34 N -3.77 2.81 0.47 1.44 -4.23 -1.26 -4.81 115.64 106.29 3djc s THR 34 Ca 0.12 -0.92 0.17 0.00 -1.18 0.00 0.00 61.69 59.87 3djc s THR 34 Cb 0.07 -2.89 0.22 0.00 1.34 0.00 0.00 72.50 71.23 3djc s THR 34 CO -0.06 0.00 2.05 0.77 -0.54 0.00 0.00 174.62 176.84 3djc h SER 35 N 0.44 0.00 0.06 3.99 4.64 -1.93 -1.51 113.55 119.24 3djc h SER 35 Ca -0.39 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.73 3djc h SER 35 Cb 1.28 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.39 3djc h SER 35 CO 0.46 0.13 -0.81 0.44 -0.87 0.00 0.00 176.83 176.18 3djc h ASP 36 N 0.00 0.61 -0.43 4.97 3.32 -1.94 -1.31 116.42 121.63 3djc h ASP 36 Ca -0.00 -0.82 -0.02 0.00 0.02 0.00 0.00 57.03 56.21 3djc h ASP 36 Cb 0.24 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3djc h ASP 36 CO 0.02 1.36 0.18 -0.33 -1.72 0.00 0.00 179.24 178.75 3djc h GLU 37 N -0.07 0.63 -0.14 3.56 5.08 -1.94 -1.93 114.58 119.79 3djc h GLU 37 Ca -0.12 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.00 3djc h GLU 37 Cb 1.54 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 3djc h GLU 37 CO 0.16 0.57 -0.51 -0.07 -1.00 0.00 0.00 179.01 178.16 3djc h LEU 38 N 0.55 0.41 -0.41 1.33 3.38 -1.36 -2.52 115.31 116.69 3djc h LEU 38 Ca 0.14 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3djc h LEU 38 Cb 0.17 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3djc h LEU 38 CO -0.01 0.85 0.06 1.23 0.09 0.00 0.00 178.44 180.66 3djc h GLY 39 N 1.24 0.73 0.95 0.83 0.00 -1.17 -2.19 103.07 103.45 3djc h GLY 39 Ca 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3djc h GLY 39 CO 0.09 0.45 -0.06 -2.22 0.00 0.00 0.00 176.54 174.80 3djc h ILE 40 N 0.52 0.87 0.10 2.60 1.08 -1.28 -1.09 117.51 120.31 3djc h ILE 40 Ca 0.12 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.60 3djc h ILE 40 Cb 0.37 0.87 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 3djc h ILE 40 CO 0.01 0.00 -0.16 0.15 -0.69 0.00 0.00 178.15 177.46 3djc h PHE 41 N -0.13 -0.41 -0.37 1.37 3.57 -1.48 -1.55 116.94 117.95 3djc h PHE 41 Ca -0.00 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.55 3djc h PHE 41 Cb 0.12 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 3djc h PHE 41 CO -0.09 -0.23 0.11 -0.07 -2.23 0.00 0.00 178.31 175.79 3djc h LEU 42 N -0.31 0.09 -1.33 0.59 3.38 -1.29 0.53 115.31 116.97 3djc h LEU 42 Ca 0.02 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3djc h LEU 42 Cb 0.32 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3djc h LEU 42 CO -0.08 0.09 -0.24 0.11 0.09 0.00 0.00 178.44 178.40 3djc h LYS 43 N 0.25 0.14 0.00 1.13 1.57 -1.13 -2.69 116.57 115.85 3djc h LYS 43 Ca 0.17 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.71 3djc h LYS 43 Cb 0.17 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 3djc h LYS 43 CO -0.19 0.38 -1.54 0.45 -0.57 0.00 0.00 179.45 177.98 3djc n SER 44 N -4.20 0.81 0.22 0.86 2.88 -0.59 -2.66 113.62 110.93 3djc n SER 44 Ca -0.01 0.36 0.10 0.00 -1.33 0.00 0.00 58.87 57.99 3djc n SER 44 Cb 0.33 0.18 0.37 0.00 -0.75 0.00 0.00 64.21 64.34 3djc n SER 44 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 3djc h VAL 45 N 0.00 0.41 0.01 2.46 3.04 0.08 -1.88 116.25 120.38 3djc h VAL 45 Ca -0.21 -1.19 -0.00 0.00 -1.01 0.00 0.00 66.70 64.29 3djc h VAL 45 Cb 1.71 1.88 0.00 0.00 -2.01 0.00 0.00 31.29 32.87 3djc h VAL 45 CO 0.05 0.19 -0.01 -0.07 -1.01 0.00 0.00 177.57 176.73 3djc h LEU 46 N 0.00 -0.02 -0.04 3.16 3.38 -1.58 -3.32 115.31 116.89 3djc h LEU 46 Ca -0.00 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.28 3djc h LEU 46 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3djc h LEU 46 CO 0.03 0.81 0.01 0.03 0.09 0.00 0.00 178.44 179.40 3djc h ARG 47 N -0.97 0.02 0.00 1.13 3.08 -1.34 -1.82 114.38 114.49 3djc h ARG 47 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3djc h ARG 47 Cb 0.71 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3djc h ARG 47 CO 0.00 0.02 0.00 0.39 -1.07 0.00 0.00 179.97 179.31 3djc n GLU 48 N -5.09 0.01 -2.16 0.04 4.71 -0.71 -3.00 120.64 114.44 3djc n GLU 48 Ca -0.06 0.38 -0.21 0.00 -0.01 0.00 0.00 57.16 57.26 3djc n GLU 48 Cb 0.04 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 28.99 3djc n GLU 48 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3djc n ASN 49 N -1.46 4.45 -1.70 1.62 3.02 -0.74 -4.99 115.26 115.46 3djc n ASN 49 Ca 0.01 -3.52 -0.20 0.00 -0.03 0.00 0.00 54.58 50.85 3djc n ASN 49 Cb 0.06 -0.37 -0.06 0.00 -0.61 0.00 0.00 39.78 38.79 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 -0.67 -5.44 -3.89 6.41 4.13 -1.16 -4.98 115.26 109.66 3djc n ASN 50 Ca 0.39 0.35 -0.29 0.00 1.68 0.00 0.00 54.58 56.71 3djc n ASN 50 Cb 0.92 -4.62 -0.16 0.00 -1.54 0.00 0.00 39.78 34.39 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 1.61 6.97 0.29 0.00 0.15 -1.26 -2.82 113.70 118.63 3djc s SER 52 Ca -0.01 2.15 0.20 0.00 0.70 0.00 0.00 55.95 58.99 3djc s SER 52 Cb -0.16 -2.58 1.08 0.00 -1.71 0.00 0.00 66.02 62.65 3djc s SER 52 CO -0.07 -0.55 1.62 -2.65 1.20 0.00 0.00 173.24 172.79 3djc n PRO 53 N 3.96 0.14 0.07 5.44 -0.02 -1.26 -1.31 135.00 142.02 3djc n PRO 53 Ca 0.10 0.61 0.12 0.00 -2.02 0.00 0.00 63.50 62.31 3djc n PRO 53 Cb 0.45 -1.92 0.22 0.00 -0.02 0.00 0.00 33.50 32.22 3djc n PRO 53 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3djc n GLU 54 N -2.20 0.29 0.22 -0.52 4.71 -1.26 -3.67 120.64 118.21 3djc n GLU 54 Ca -0.01 0.12 0.12 0.00 -0.01 0.00 0.00 57.16 57.37 3djc n GLU 54 Cb 0.05 -1.72 0.29 0.00 -1.01 0.00 0.00 31.44 29.05 3djc n GLU 54 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 3djc h THR 55 N 0.00 0.18 -2.92 2.62 2.02 -1.59 -3.42 112.91 109.79 3djc h THR 55 Ca 0.00 -1.08 -0.57 0.00 0.77 0.00 0.00 66.41 65.53 3djc h THR 55 Cb 0.75 1.93 -0.04 0.00 -1.74 0.00 0.00 68.15 69.05 3djc h THR 55 CO 0.00 0.09 1.08 -0.63 0.37 0.00 0.00 175.52 176.43 3djc s ILE 56 N -3.32 3.84 -0.07 3.11 -1.09 -1.24 -4.21 121.20 118.23 3djc s ILE 56 Ca 0.05 0.94 0.13 0.00 -2.23 0.00 0.00 60.65 59.54 3djc s ILE 56 Cb 0.07 -3.88 -0.20 0.00 -1.58 0.00 0.00 42.46 36.87 3djc s ILE 56 CO 0.65 -0.39 0.31 0.54 -1.23 0.00 0.00 174.94 174.82 3djc n ARG 57 N 7.61 0.60 -3.99 2.79 5.12 -0.99 -4.99 116.66 122.82 3djc n ARG 57 Ca 0.17 -0.11 -0.10 0.00 -1.93 0.00 0.00 57.85 55.88 3djc n ARG 57 Cb 0.46 -1.29 -0.12 0.00 -1.16 0.00 0.00 32.46 30.35 3djc n ARG 57 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3djc s LYS 58 N -2.84 0.31 -0.02 5.56 1.02 -1.17 -5.01 119.74 117.59 3djc s LYS 58 Ca -0.04 -0.54 0.02 0.00 0.02 0.00 0.00 55.97 55.44 3djc s LYS 58 Cb 0.08 0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 3djc s LYS 58 CO 0.54 -0.02 -0.08 0.42 -0.92 0.00 0.00 175.35 175.28 3djc s ILE 59 N -1.21 0.74 -0.05 2.17 1.01 -1.26 -1.52 121.20 121.08 3djc s ILE 59 Ca -0.12 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.20 3djc s ILE 59 Cb -0.08 -0.66 0.02 0.00 0.01 0.00 0.00 42.46 41.75 3djc s ILE 59 CO -0.01 0.23 -0.05 0.00 0.00 0.00 0.00 174.94 175.11 3djc s ALA 60 N 0.19 0.79 -0.08 9.38 0.00 -0.30 -0.93 121.76 130.80 3djc s ALA 60 Ca -0.03 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 51.84 3djc s ALA 60 Cb -0.08 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.54 3djc s ALA 60 CO 0.00 -0.05 -0.23 0.42 0.00 0.00 0.00 175.76 175.90 3djc s ILE 61 N 1.00 1.95 -0.12 0.00 1.01 0.21 -0.54 121.20 124.72 3djc s ILE 61 Ca -0.10 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.59 3djc s ILE 61 Cb -0.14 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 3djc s ILE 61 CO -0.00 0.54 -0.19 0.00 0.00 0.00 0.00 174.94 175.29 3djc s SER 63 N 0.37 -0.00 0.00 0.00 0.15 -1.26 -1.00 113.70 111.96 3djc s SER 63 Ca -0.15 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.40 3djc s SER 63 Cb -0.17 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 3djc s SER 63 CO 0.07 -0.29 0.00 0.52 1.20 0.00 0.00 173.24 174.74 3djc n VAL 64 N 1.84 0.00 -3.36 4.45 0.31 -0.99 -4.38 118.33 116.20 3djc n VAL 64 Ca -0.20 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.70 3djc n VAL 64 Cb 0.56 -0.70 -0.09 0.00 -0.91 0.00 0.00 33.84 32.70 3djc n VAL 64 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3djc s VAL 65 N -1.93 5.13 0.43 2.52 1.01 -1.26 -4.99 120.40 121.31 3djc s VAL 65 Ca 0.00 -0.37 0.13 0.00 0.00 0.00 0.00 61.98 61.75 3djc s VAL 65 Cb 0.00 -3.99 0.17 0.00 0.00 0.00 0.00 36.38 32.56 3djc s VAL 65 CO 0.00 -0.36 1.96 -0.65 0.00 0.00 0.00 175.10 176.05 3djc h PRO 66 N 8.68 0.03 0.00 2.72 0.11 -1.98 -3.18 132.00 138.37 3djc h PRO 66 Ca -0.27 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.72 3djc h PRO 66 Cb 1.12 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3djc h PRO 66 CO 0.77 0.24 -0.52 0.37 -0.21 0.00 0.00 178.00 178.64 3djc h GLN 67 N 0.03 0.00 -0.08 1.05 4.15 -2.00 -3.07 115.11 115.19 3djc h GLN 67 Ca 0.00 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.30 3djc h GLN 67 Cb 0.38 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 3djc h GLN 67 CO 0.03 0.52 -0.50 0.28 -1.93 0.00 0.00 178.83 177.22 3djc h VAL 68 N 0.00 1.35 -0.11 2.39 2.07 -1.87 -3.36 116.25 116.72 3djc h VAL 68 Ca -0.01 -1.75 0.02 0.00 0.82 0.00 0.00 66.70 65.79 3djc h VAL 68 Cb 1.35 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 3djc h VAL 68 CO 0.07 0.52 -0.01 0.44 0.02 0.00 0.00 177.57 178.60 3djc h ASP 69 N 0.16 -0.06 -0.65 0.57 3.32 -1.60 -1.29 116.42 116.87 3djc h ASP 69 Ca 0.01 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.11 3djc h ASP 69 Cb 0.95 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.51 3djc h ASP 69 CO 0.08 -0.01 0.40 0.22 -1.72 0.00 0.00 179.24 178.20 3djc h TYR 70 N 0.03 0.74 -0.06 4.55 3.20 -1.71 -1.06 116.97 122.67 3djc h TYR 70 Ca 0.05 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.74 3djc h TYR 70 Cb 0.07 -0.24 0.01 0.00 1.54 0.00 0.00 36.73 38.11 3djc h TYR 70 CO -0.14 0.42 -0.76 0.66 -1.64 0.00 0.00 178.16 176.70 3djc h SER 71 N 0.77 0.77 -0.57 -2.11 4.64 -1.74 -2.62 113.55 112.70 3djc h SER 71 Ca 0.26 -0.70 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 3djc h SER 71 Cb 0.04 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 61.87 3djc h SER 71 CO -0.11 1.36 0.31 0.25 -0.87 0.00 0.00 176.83 177.76 3djc h LEU 72 N 0.25 0.72 -0.63 5.97 5.85 -1.00 -0.62 115.31 125.85 3djc h LEU 72 Ca -0.08 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 3djc h LEU 72 Cb 1.42 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3djc h LEU 72 CO 0.15 0.61 -0.23 0.08 -0.34 0.00 0.00 178.44 178.72 3djc h ARG 73 N 0.77 0.00 0.00 1.25 0.11 -1.30 -2.76 114.38 112.45 3djc h ARG 73 Ca 0.20 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.16 3djc h ARG 73 Cb 0.06 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.12 3djc h ARG 73 CO -0.03 0.23 -0.56 1.03 0.10 0.00 0.00 179.97 180.73 3djc h SER 74 N 0.00 0.00 0.12 0.08 0.87 -1.10 -3.16 113.55 110.37 3djc h SER 74 Ca -0.00 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.42 3djc h SER 74 Cb 0.94 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 3djc h SER 74 CO 0.03 0.56 -0.49 0.00 -0.53 0.00 0.00 176.83 176.41 3djc h ALA 75 N 1.44 0.87 -0.01 6.23 0.00 -0.84 -2.87 119.26 124.07 3djc h ALA 75 Ca -0.01 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.30 3djc h ALA 75 Cb 1.21 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3djc h ALA 75 CO 0.07 0.66 -0.59 0.00 0.00 0.00 0.00 179.25 179.39 3djc h VAL 77 N 0.03 1.60 -0.27 0.00 2.07 -1.54 -1.16 116.25 116.98 3djc h VAL 77 Ca -0.01 -2.32 -0.19 0.00 0.82 0.00 0.00 66.70 65.00 3djc h VAL 77 Cb 1.05 3.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.95 3djc h VAL 77 CO 0.08 0.64 -0.58 0.50 0.02 0.00 0.00 177.57 178.23 3djc h LYS 78 N -0.56 0.87 0.00 1.57 3.64 -1.51 -2.46 116.57 118.12 3djc h LYS 78 Ca -0.07 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 58.74 3djc h LYS 78 Cb 1.30 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 3djc h LYS 78 CO 0.08 1.20 -0.87 0.66 -2.27 0.00 0.00 179.45 178.25 3djc n TYR 79 N -4.00 0.00 -0.15 1.91 4.01 -0.03 -4.59 117.16 114.31 3djc n TYR 79 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 3djc n TYR 79 Cb 0.64 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 3djc n TYR 79 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3djc n PHE 80 N -1.45 0.00 -3.83 -0.72 3.01 -0.92 -5.02 117.46 108.53 3djc n PHE 80 Ca 0.03 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.23 3djc n PHE 80 Cb 0.28 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.77 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 -0.25 -2.50 -3.86 4.37 7.64 -0.82 -4.96 113.62 113.25 3djc n SER 81 Ca 0.00 -0.83 -0.26 0.00 1.01 0.00 0.00 58.87 58.78 3djc n SER 81 Cb 0.04 -3.82 -0.17 0.00 -1.01 0.00 0.00 64.21 59.25 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 -3.56 0.86 -0.56 0.44 1.01 -0.50 -4.97 121.20 113.92 3djc s ILE 82 Ca 0.28 -0.26 -0.26 0.00 0.00 0.00 0.00 60.65 60.40 3djc s ILE 82 Cb -0.14 -0.96 0.03 0.00 0.01 0.00 0.00 42.46 41.40 3djc s ILE 82 CO 0.83 0.27 1.08 -0.62 0.00 0.00 0.00 174.94 176.50 3djc s ASP 83 N 1.77 6.41 0.52 3.58 3.68 -1.26 -2.96 116.67 128.40 3djc s ASP 83 Ca 0.04 -0.07 -0.17 0.00 2.13 0.00 0.00 52.55 54.48 3djc s ASP 83 Cb -0.13 -2.50 -0.08 0.00 -1.45 0.00 0.00 42.92 38.76 3djc s ASP 83 CO -0.07 -1.36 0.99 -2.16 0.13 0.00 0.00 175.17 172.69 3djc s PRO 84 N 4.50 3.93 -0.06 4.34 0.04 -1.26 -4.92 135.00 141.56 3djc s PRO 84 Ca 0.38 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 62.08 3djc s PRO 84 Cb -0.10 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 3djc s PRO 84 CO 0.23 -0.29 1.51 0.12 0.04 0.00 0.00 177.00 178.61 3djc s PHE 85 N -2.62 2.39 -0.34 0.56 5.36 -0.11 -4.90 117.98 118.32 3djc s PHE 85 Ca 0.59 0.52 -0.11 0.00 -0.96 0.00 0.00 56.93 56.97 3djc s PHE 85 Cb -0.10 -3.77 0.00 0.00 -0.34 0.00 0.00 43.02 38.81 3djc s PHE 85 CO 0.31 -3.06 0.19 -0.51 -1.46 0.00 0.00 175.22 170.69 3djc s LEU 86 N 3.46 4.41 -0.66 6.12 2.01 -1.26 0.66 118.68 133.42 3djc s LEU 86 Ca 0.67 -0.69 -0.26 0.00 0.01 0.00 0.00 54.13 53.86 3djc s LEU 86 Cb -0.31 -2.03 -0.04 0.00 0.01 0.00 0.00 46.19 43.82 3djc s LEU 86 CO 0.26 -0.28 1.96 -0.22 1.01 0.00 0.00 176.35 179.08 3djc s LEU 87 N 1.61 3.26 0.43 1.79 2.96 -0.02 -4.88 118.68 123.83 3djc s LEU 87 Ca 0.04 0.22 0.04 0.00 -0.22 0.00 0.00 54.13 54.20 3djc s LEU 87 Cb -0.18 -2.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.96 3djc s LEU 87 CO 0.07 -2.57 0.12 -1.58 -1.32 0.00 0.00 176.35 171.07 3djc s GLN 88 N 7.25 1.98 -0.32 1.98 0.74 -1.26 -4.58 119.66 125.45 3djc s GLN 88 Ca 0.72 -2.22 -0.29 0.00 0.05 0.00 0.00 55.36 53.62 3djc s GLN 88 Cb -0.12 -0.71 0.02 0.00 1.10 0.00 0.00 33.01 33.30 3djc s GLN 88 CO 0.17 -0.48 1.09 0.00 -0.55 0.00 0.00 175.29 175.52 3djc s ALA 89 N -3.16 3.48 0.00 1.58 0.00 -1.26 -3.75 121.76 118.65 3djc s ALA 89 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.12 3djc s ALA 89 Cb 0.02 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.46 3djc s ALA 89 CO 0.13 -1.52 0.00 0.41 0.00 0.00 0.00 175.76 174.79 3djc n GLY 90 N 3.92 0.93 3.78 0.00 0.00 -1.26 -5.13 105.19 107.43 3djc n GLY 90 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.53 3.35 -0.04 1.61 -7.23 -1.25 -5.01 120.40 111.30 3djc s VAL 91 Ca 0.00 0.44 -0.30 0.00 -1.81 0.00 0.00 61.98 60.31 3djc s VAL 91 Cb 0.00 -3.04 -0.03 0.00 0.56 0.00 0.00 36.38 33.87 3djc s VAL 91 CO 0.00 -0.57 1.05 -0.75 -0.31 0.00 0.00 175.10 174.52 3djc s LYS 92 N -4.99 4.46 0.00 4.82 2.20 -1.26 -4.90 119.74 120.07 3djc s LYS 92 Ca 0.61 1.49 0.00 0.00 -0.36 0.00 0.00 55.97 57.71 3djc s LYS 92 Cb -0.16 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 32.67 3djc s LYS 92 CO 0.56 -0.24 0.00 0.25 -0.36 0.00 0.00 175.35 175.56 3djc n THR 93 N 4.26 0.00 -2.78 3.43 -2.24 -1.26 -4.73 114.28 110.96 3djc n THR 93 Ca 0.08 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.79 3djc n THR 93 Cb 0.49 -0.74 0.03 0.00 -2.10 0.00 0.00 70.33 68.00 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 2.87 0.43 3.29 3.38 0.00 -1.26 -4.94 105.19 108.97 3djc n GLY 94 Ca 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.06 0.69 -0.12 0.99 0.05 -1.26 -4.99 118.68 110.98 3djc s LEU 95 Ca 0.16 -0.41 -0.06 0.00 0.05 0.00 0.00 54.13 53.86 3djc s LEU 95 Cb -0.07 1.61 -0.04 0.00 -2.05 0.00 0.00 46.19 45.64 3djc s LEU 95 CO 0.23 -0.82 0.09 0.20 -0.55 0.00 0.00 176.35 175.50 3djc s ASN 96 N -2.82 5.98 -0.20 1.48 0.02 -0.54 -4.96 114.94 113.90 3djc s ASN 96 Ca 0.04 0.33 -0.00 0.00 -1.02 0.00 0.00 52.86 52.20 3djc s ASN 96 Cb 0.03 -1.89 0.01 0.00 0.02 0.00 0.00 41.25 39.42 3djc s ASN 96 CO -0.12 0.37 -0.14 -0.63 0.02 0.00 0.00 177.10 176.60 3djc s ILE 97 N -0.79 2.49 -1.53 0.60 1.01 -1.26 0.13 121.20 121.85 3djc s ILE 97 Ca 0.13 -0.83 0.21 0.00 0.00 0.00 0.00 60.65 60.15 3djc s ILE 97 Cb -0.12 -2.10 0.70 0.00 0.01 0.00 0.00 42.46 40.96 3djc s ILE 97 CO 0.03 0.47 1.60 0.29 0.00 0.00 0.00 174.94 177.33 3djc n LYS 98 N 4.67 3.32 -1.88 2.79 4.01 -0.70 -4.88 118.16 125.49 3djc n LYS 98 Ca -0.20 -2.82 -0.38 0.00 -0.51 0.00 0.00 58.31 54.41 3djc n LYS 98 Cb 0.50 -1.77 0.04 0.00 -0.51 0.00 0.00 35.03 33.29 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 -1.48 2.35 0.14 2.13 1.51 -1.26 -4.91 117.35 115.83 3djc s TYR 99 Ca 0.51 1.43 -0.22 0.00 -1.01 0.00 0.00 57.07 57.79 3djc s TYR 99 Cb 0.30 -3.69 0.00 0.00 -0.11 0.00 0.00 41.96 38.47 3djc s TYR 99 CO 0.29 -2.62 1.66 0.00 -1.11 0.00 0.00 175.55 173.77 3djc h ARG 100 N 1.35 -0.17 -4.78 -0.62 -0.00 -1.99 -3.35 114.38 104.82 3djc h ARG 100 Ca -0.51 0.01 -0.68 0.00 -0.50 0.00 0.00 59.98 58.30 3djc h ARG 100 Cb 1.30 0.04 -0.32 0.00 0.00 0.00 0.00 29.97 30.99 3djc h ARG 100 CO 0.57 -0.11 -0.70 1.21 0.00 0.00 0.00 179.97 180.94 3djc s ASN 101 N -5.07 4.86 0.00 7.04 2.47 -1.26 -4.99 114.94 117.98 3djc s ASN 101 Ca -0.14 -1.18 0.13 0.00 0.42 0.00 0.00 52.86 52.09 3djc s ASN 101 Cb 0.11 -1.73 0.58 0.00 -1.45 0.00 0.00 41.25 38.76 3djc s ASN 101 CO 0.68 -0.24 1.39 -2.65 -3.72 0.00 0.00 177.10 172.55 3djc n PRO 102 N 4.66 0.06 0.22 0.43 -0.02 -1.26 -2.12 135.00 136.97 3djc n PRO 102 Ca -0.14 0.25 0.12 0.00 -2.02 0.00 0.00 63.50 61.71 3djc n PRO 102 Cb 0.44 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 32.66 3djc n PRO 102 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3djc h VAL 103 N 0.00 0.08 0.00 -1.45 2.07 -1.95 -3.14 116.25 111.87 3djc h VAL 103 Ca 0.00 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 3djc h VAL 103 Cb 0.19 1.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 3djc h VAL 103 CO 0.00 0.04 -0.16 -0.33 0.02 0.00 0.00 177.57 177.14 3djc h GLU 104 N 0.00 0.00 -6.25 1.57 5.08 -1.87 -3.44 114.58 109.68 3djc h GLU 104 Ca -0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3djc h GLU 104 Cb 0.96 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 3djc h GLU 104 CO 0.01 0.16 0.97 0.08 -1.00 0.00 0.00 179.01 179.23 3djc s VAL 105 N -3.58 3.85 0.60 3.13 1.01 -1.19 -4.98 120.40 119.23 3djc s VAL 105 Ca 0.01 1.08 -0.19 0.00 0.00 0.00 0.00 61.98 62.88 3djc s VAL 105 Cb 0.09 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 3djc s VAL 105 CO 0.62 -0.08 1.25 -0.83 0.00 0.00 0.00 175.10 176.07 3djc s GLY 106 N 2.57 2.80 0.43 4.51 0.00 -1.26 -4.92 107.32 111.45 3djc s GLY 106 Ca 0.65 1.12 0.15 0.00 0.00 0.00 0.00 44.72 46.63 3djc s GLY 106 CO 0.24 1.54 1.95 0.00 0.00 0.00 0.00 173.10 176.82 3djc h ALA 107 N 0.93 1.59 -0.09 3.20 0.00 -1.90 -2.43 119.26 120.56 3djc h ALA 107 Ca -0.51 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.09 3djc h ALA 107 Cb 1.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3djc h ALA 107 CO 0.55 0.29 -0.42 0.38 0.00 0.00 0.00 179.25 180.05 3djc h ASP 108 N 0.00 0.20 1.17 0.00 2.03 -1.91 0.16 116.42 118.07 3djc h ASP 108 Ca -0.00 -0.09 -0.15 0.00 -0.73 0.00 0.00 57.03 56.06 3djc h ASP 108 Cb 0.42 -0.06 -0.02 0.00 -0.83 0.00 0.00 39.33 38.84 3djc h ASP 108 CO 0.03 0.61 -0.71 0.03 -1.03 0.00 0.00 179.24 178.17 3djc h ARG 109 N 0.16 0.00 -0.04 4.15 2.47 -1.85 -2.40 114.38 116.87 3djc h ARG 109 Ca 0.01 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.61 3djc h ARG 109 Cb 0.81 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.14 3djc h ARG 109 CO 0.06 0.71 -0.48 0.82 0.56 0.00 0.00 179.97 181.64 3djc h ILE 110 N 0.00 1.42 -0.18 2.04 2.04 -1.13 -2.76 117.51 118.94 3djc h ILE 110 Ca -0.01 -1.92 0.00 0.00 1.00 0.00 0.00 64.86 63.93 3djc h ILE 110 Cb 1.48 2.45 -0.01 0.00 -0.74 0.00 0.00 36.82 40.00 3djc h ILE 110 CO 0.09 0.56 0.12 0.00 0.00 0.00 0.00 178.15 178.92 3djc h ALA 111 N 0.38 0.23 -0.08 1.87 0.00 -0.74 -1.74 119.26 119.17 3djc h ALA 111 Ca -0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3djc h ALA 111 Cb 1.16 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3djc h ALA 111 CO 0.10 -0.29 -0.10 -0.91 0.00 0.00 0.00 179.25 178.04 3djc h ASN 112 N 0.24 0.11 1.03 0.00 4.21 -1.53 -2.25 115.58 117.38 3djc h ASN 112 Ca 0.07 -0.02 -0.20 0.00 1.21 0.00 0.00 56.30 57.36 3djc h ASN 112 Cb -0.03 -0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.12 3djc h ASN 112 CO -0.01 0.23 -0.99 0.00 -1.29 0.00 0.00 177.43 175.36 3djc h ALA 113 N 1.79 0.44 0.18 -0.83 0.00 -1.31 -2.53 119.26 117.00 3djc h ALA 113 Ca 0.02 -0.89 -0.01 0.00 0.00 0.00 0.00 54.91 54.04 3djc h ALA 113 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3djc h ALA 113 CO 0.02 1.18 -0.09 0.82 0.00 0.00 0.00 179.25 181.18 3djc h ILE 114 N 0.00 0.92 -0.45 0.00 2.04 -1.01 -2.37 117.51 116.64 3djc h ILE 114 Ca -0.03 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 65.27 3djc h ILE 114 Cb 1.73 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 39.06 3djc h ILE 114 CO 0.11 0.13 0.30 0.00 0.00 0.00 0.00 178.15 178.70 3djc h ALA 115 N 0.21 1.80 -0.13 1.87 0.00 -1.51 -0.37 119.26 121.12 3djc h ALA 115 Ca -0.03 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3djc h ALA 115 Cb 0.41 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3djc h ALA 115 CO 0.04 0.15 -0.36 0.00 0.00 0.00 0.00 179.25 179.08 3djc h ALA 116 N 1.74 0.23 0.00 0.00 0.00 -1.47 -2.16 119.26 117.60 3djc h ALA 116 Ca 0.18 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 3djc h ALA 116 Cb 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3djc h ALA 116 CO -0.04 0.29 -0.23 1.79 0.00 0.00 0.00 179.25 181.06 3djc h THR 117 N 0.09 0.57 0.09 0.00 1.35 -1.25 -1.74 112.91 112.01 3djc h THR 117 Ca -0.01 -1.13 -0.00 0.00 -0.55 0.00 0.00 66.41 64.72 3djc h THR 117 Cb 0.97 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 3djc h THR 117 CO 0.08 0.23 -0.04 -0.74 -0.25 0.00 0.00 175.52 174.79 3djc h HIS 118 N 0.00 -0.11 -0.07 4.73 6.17 -1.05 -3.22 115.15 121.60 3djc h HIS 118 Ca -0.00 -0.00 -0.11 0.00 0.71 0.00 0.00 60.37 60.97 3djc h HIS 118 Cb 0.75 0.04 -0.01 0.00 2.52 0.00 0.00 27.41 30.70 3djc h HIS 118 CO 0.00 0.41 -0.44 0.77 0.71 0.00 0.00 177.93 179.38 3djc h SER 119 N -0.90 0.18 -2.28 3.26 0.02 -1.45 -3.36 113.55 109.01 3djc h SER 119 Ca -0.01 -0.08 -0.59 0.00 -0.84 0.00 0.00 61.79 60.28 3djc h SER 119 Cb 0.56 -0.05 -0.40 0.00 0.14 0.00 0.00 62.40 62.66 3djc h SER 119 CO 0.02 0.60 -0.88 0.49 -1.14 0.00 0.00 176.83 175.92 3djc n PHE 120 N -4.00 1.00 -0.10 3.45 3.72 -0.66 -5.05 117.46 115.82 3djc n PHE 120 Ca -0.02 -3.75 -0.10 0.00 -0.05 0.00 0.00 57.45 53.53 3djc n PHE 120 Cb 0.49 -0.30 -0.03 0.00 -0.94 0.00 0.00 39.48 38.70 3djc n PHE 120 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3djc h PRO 121 N 4.61 0.46 -1.47 -1.08 0.11 -1.72 -3.32 132.00 129.59 3djc h PRO 121 Ca 0.16 -0.09 -0.63 0.00 0.11 0.00 0.00 66.00 65.55 3djc h PRO 121 Cb 0.81 -0.07 -0.38 0.00 0.11 0.00 0.00 31.00 31.48 3djc h PRO 121 CO 0.57 0.50 -0.25 0.09 -0.21 0.00 0.00 178.00 178.70 3djc n ASN 122 N -4.71 5.55 -4.18 -2.05 3.02 -1.26 -4.91 115.26 106.72 3djc n ASN 122 Ca -0.02 -3.76 -0.15 0.00 -0.03 0.00 0.00 54.58 50.62 3djc n ASN 122 Cb 0.16 -0.61 -0.11 0.00 -0.61 0.00 0.00 39.78 38.61 3djc n ASN 122 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3djc s GLN 123 N -3.69 0.84 -0.16 3.52 -0.21 -1.25 -4.90 119.66 113.82 3djc s GLN 123 Ca 0.50 -1.11 -0.29 0.00 0.02 0.00 0.00 55.36 54.49 3djc s GLN 123 Cb 0.42 -0.61 -0.00 0.00 1.00 0.00 0.00 33.01 33.81 3djc s GLN 123 CO -0.19 0.11 1.01 -0.80 -2.12 0.00 0.00 175.29 173.29 3djc s ASN 124 N -2.27 7.17 -0.06 5.90 0.01 -1.26 -3.46 114.94 120.97 3djc s ASN 124 Ca 0.03 1.45 0.06 0.00 -0.71 0.00 0.00 52.86 53.69 3djc s ASN 124 Cb -0.05 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.06 3djc s ASN 124 CO 0.01 -0.53 -0.24 -0.63 -1.51 0.00 0.00 177.10 174.20 3djc s ILE 125 N 2.47 1.94 -0.25 0.60 1.01 -0.10 -0.34 121.20 126.53 3djc s ILE 125 Ca 0.46 -1.00 -0.10 0.00 0.00 0.00 0.00 60.65 60.01 3djc s ILE 125 Cb -0.17 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 3djc s ILE 125 CO 0.13 0.54 0.14 -0.63 0.00 0.00 0.00 174.94 175.12 3djc s ILE 126 N -0.09 5.05 -0.20 2.92 1.01 -0.63 -1.47 121.20 127.79 3djc s ILE 126 Ca -0.05 0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.63 3djc s ILE 126 Cb -0.14 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 3djc s ILE 126 CO 0.04 0.32 -0.02 0.54 0.00 0.00 0.00 174.94 175.82 3djc s VAL 127 N 1.35 3.72 -0.33 2.92 0.11 -1.00 -0.80 120.40 126.37 3djc s VAL 127 Ca 0.06 -0.39 -0.08 0.00 -2.93 0.00 0.00 61.98 58.65 3djc s VAL 127 Cb -0.15 -2.68 0.02 0.00 -1.53 0.00 0.00 36.38 32.04 3djc s VAL 127 CO 0.06 0.43 0.13 -0.63 -3.33 0.00 0.00 175.10 171.75 3djc s ILE 128 N 1.15 4.12 -0.46 7.04 1.01 0.11 -2.36 121.20 131.81 3djc s ILE 128 Ca 0.02 -0.84 -0.17 0.00 0.00 0.00 0.00 60.65 59.66 3djc s ILE 128 Cb -0.14 -3.23 0.05 0.00 0.01 0.00 0.00 42.46 39.15 3djc s ILE 128 CO 0.01 -0.08 0.48 -0.62 0.00 0.00 0.00 174.94 174.72 3djc s ASP 129 N 1.49 6.19 -1.07 3.58 3.68 -0.93 -1.48 116.67 128.12 3djc s ASP 129 Ca 0.01 -0.95 -0.18 0.00 2.13 0.00 0.00 52.55 53.56 3djc s ASP 129 Cb -0.18 -2.23 0.12 0.00 -1.45 0.00 0.00 42.92 39.18 3djc s ASP 129 CO 0.04 -0.69 1.34 -0.36 0.13 0.00 0.00 175.17 175.63 3djc s PHE 130 N 2.12 3.11 0.00 -5.34 0.40 -0.28 -1.51 117.98 116.47 3djc s PHE 130 Ca 0.10 -1.57 0.00 0.00 -0.60 0.00 0.00 56.93 54.86 3djc s PHE 130 Cb -0.20 -4.41 0.00 0.00 0.51 0.00 0.00 43.02 38.92 3djc s PHE 130 CO 0.11 -1.56 0.00 0.41 0.70 0.00 0.00 175.22 174.87 3djc n GLY 131 N 5.26 3.94 0.18 4.36 0.00 -1.26 -2.40 105.19 115.26 3djc n GLY 131 Ca 0.32 -0.86 0.02 0.00 0.00 0.00 0.00 46.02 45.50 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 1.25 -3.55 2.61 2.02 -1.97 -3.41 112.91 109.86 3djc h THR 132 Ca 0.00 -1.45 -0.51 0.00 0.77 0.00 0.00 66.41 65.22 3djc h THR 132 Cb 0.00 1.79 -0.33 0.00 -1.74 0.00 0.00 68.15 67.88 3djc h THR 132 CO 0.00 0.41 -0.81 0.00 0.37 0.00 0.00 175.52 175.48 3djc s ALA 133 N -4.02 1.24 -0.31 6.16 0.00 -1.26 -2.21 121.76 121.35 3djc s ALA 133 Ca -0.02 -0.44 -0.29 0.00 0.00 0.00 0.00 51.96 51.21 3djc s ALA 133 Cb 0.14 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.75 3djc s ALA 133 CO 0.73 0.14 1.19 0.99 0.00 0.00 0.00 175.76 178.81 3djc s THR 134 N 0.50 4.32 0.10 0.00 2.01 -1.02 -4.58 115.64 116.97 3djc s THR 134 Ca -0.11 1.50 0.07 0.00 0.31 0.00 0.00 61.69 63.46 3djc s THR 134 Cb -0.14 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 3djc s THR 134 CO 0.03 -0.49 -0.11 0.42 -0.69 0.00 0.00 174.62 173.78 3djc s THR 135 N 4.01 3.30 -0.11 -0.82 -4.23 -0.57 0.23 115.64 117.45 3djc s THR 135 Ca 0.51 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 3djc s THR 135 Cb -0.14 -2.53 0.02 0.00 1.34 0.00 0.00 72.50 71.19 3djc s THR 135 CO 0.20 0.13 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.95 3djc s PHE 136 N -1.19 1.61 -0.08 3.99 0.40 0.76 -2.20 117.98 121.27 3djc s PHE 136 Ca 0.21 -0.78 0.03 0.00 -0.60 0.00 0.00 56.93 55.79 3djc s PHE 136 Cb -0.11 -1.26 0.00 0.00 0.51 0.00 0.00 43.02 42.16 3djc s PHE 136 CO 0.13 -0.49 -0.19 0.00 0.70 0.00 0.00 175.22 175.37 3djc s ALA 138 N 0.45 3.57 -0.12 0.00 0.00 -0.11 -2.38 121.76 123.17 3djc s ALA 138 Ca -0.17 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.17 3djc s ALA 138 Cb -0.17 -2.60 0.02 0.00 0.00 0.00 0.00 23.12 20.37 3djc s ALA 138 CO 0.07 -0.35 -0.12 0.42 0.00 0.00 0.00 175.76 175.78 3djc s ILE 139 N 1.40 1.34 0.76 0.00 1.01 -0.54 0.45 121.20 125.62 3djc s ILE 139 Ca 0.17 -0.52 -0.12 0.00 0.00 0.00 0.00 60.65 60.18 3djc s ILE 139 Cb -0.15 -1.27 0.05 0.00 0.01 0.00 0.00 42.46 41.10 3djc s ILE 139 CO 0.08 0.41 1.13 -0.94 0.00 0.00 0.00 174.94 175.63 3djc s SER 140 N 1.29 4.97 0.52 3.58 1.04 -0.54 -0.92 113.70 123.63 3djc s SER 140 Ca -0.01 0.98 0.31 0.00 0.48 0.00 0.00 55.95 57.71 3djc s SER 140 Cb -0.14 -1.64 1.24 0.00 0.10 0.00 0.00 66.02 65.58 3djc s SER 140 CO -0.05 -1.63 1.94 1.12 0.98 0.00 0.00 173.24 175.60 3djc h HIS 141 N -0.86 0.00 -0.02 5.02 2.07 -1.90 -1.91 115.15 117.55 3djc h HIS 141 Ca -0.46 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.06 3djc h HIS 141 Cb 1.29 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.27 3djc h HIS 141 CO 0.41 0.07 0.00 1.63 -3.07 0.00 0.00 177.93 176.98 3djc n LYS 142 N -3.20 1.08 -4.10 5.12 5.02 -1.26 -4.59 118.16 116.22 3djc n LYS 142 Ca 0.00 -0.08 -0.31 0.00 -2.02 0.00 0.00 58.31 55.91 3djc n LYS 142 Cb 0.34 -1.37 -0.08 0.00 -0.02 0.00 0.00 35.03 33.90 3djc n LYS 142 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3djc n LYS 143 N 0.15 -0.87 -3.31 1.97 -0.00 -0.72 -4.81 118.16 110.57 3djc n LYS 143 Ca 0.01 0.09 -0.40 0.00 -0.00 0.00 0.00 58.31 58.01 3djc n LYS 143 Cb 0.35 -3.46 -0.08 0.00 -0.00 0.00 0.00 35.03 31.84 3djc n LYS 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3djc s ALA 144 N -3.73 3.52 -0.47 0.58 0.00 -1.25 -1.47 121.76 118.94 3djc s ALA 144 Ca 0.27 -0.93 -0.27 0.00 0.00 0.00 0.00 51.96 51.02 3djc s ALA 144 Cb -0.16 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 3djc s ALA 144 CO 0.87 -0.97 1.80 -0.47 0.00 0.00 0.00 175.76 177.00 3djc s TYR 145 N 2.22 1.78 -0.33 0.00 5.04 0.34 -1.47 117.35 124.94 3djc s TYR 145 Ca 0.17 0.72 0.20 0.00 -2.44 0.00 0.00 57.07 55.72 3djc s TYR 145 Cb -0.16 -4.12 0.22 0.00 0.35 0.00 0.00 41.96 38.26 3djc s TYR 145 CO 0.11 -2.55 1.51 -0.07 -1.34 0.00 0.00 175.55 173.22 3djc h LEU 146 N 14.91 0.00 0.00 6.97 3.38 -0.27 -1.87 115.31 138.43 3djc h LEU 146 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3djc h LEU 146 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3djc h LEU 146 CO 1.13 0.17 0.00 0.61 0.09 0.00 0.00 178.44 180.44 3djc n GLY 147 N 1.15 0.50 0.00 0.83 0.00 -1.24 -4.62 105.19 101.81 3djc n GLY 147 Ca 0.03 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.62 2.99 -0.02 0.00 -1.26 -0.93 105.19 105.34 3djc n GLY 148 Ca 0.00 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 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 0.43 -0.19 4.61 0.00 -0.05 -5.00 121.76 120.55 3djc s ALA 149 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.53 3djc s ALA 149 Cb 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.13 3djc s ALA 149 CO 0.00 0.03 -0.15 0.42 0.00 0.00 0.00 175.76 176.06 3djc s ILE 150 N -0.69 1.83 0.33 0.00 1.01 -1.26 -0.17 121.20 122.26 3djc s ILE 150 Ca -0.04 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.68 3djc s ILE 150 Cb -0.05 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 3djc s ILE 150 CO -0.00 0.35 0.50 -0.76 0.00 0.00 0.00 174.94 175.03 3djc s LEU 151 N 1.35 4.02 0.59 2.97 1.43 0.13 -5.02 118.68 124.17 3djc s LEU 151 Ca 0.02 0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 53.12 3djc s LEU 151 Cb -0.15 -3.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.02 3djc s LEU 151 CO -0.10 -0.34 1.07 -2.16 0.23 0.00 0.00 176.35 175.05 3djc s PRO 152 N -4.23 3.27 0.71 1.29 0.04 -1.26 -2.43 135.00 132.39 3djc s PRO 152 Ca 0.41 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.60 3djc s PRO 152 Cb -0.09 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.44 3djc s PRO 152 CO 0.33 -0.86 1.07 0.20 0.04 0.00 0.00 177.00 177.78 3djc s GLY 153 N -2.65 1.65 0.44 0.56 0.00 -0.94 -3.88 107.32 102.50 3djc s GLY 153 Ca 0.65 -0.11 0.12 0.00 0.00 0.00 0.00 44.72 45.38 3djc s GLY 153 CO 0.36 0.24 2.01 1.41 0.00 0.00 0.00 173.10 177.11 3djc h LEU 154 N -0.72 0.14 0.08 0.66 4.07 -1.84 -0.38 115.31 117.33 3djc h LEU 154 Ca -0.45 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.49 3djc h LEU 154 Cb 1.23 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.93 3djc h LEU 154 CO 0.60 0.24 -0.04 -0.09 -1.08 0.00 0.00 178.44 178.06 3djc h ARG 155 N 0.16 -0.11 -0.45 1.13 9.65 -1.89 -2.64 114.38 120.23 3djc h ARG 155 Ca 0.04 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.92 3djc h ARG 155 Cb 0.22 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 3djc h ARG 155 CO 0.01 0.34 0.27 -0.07 2.80 0.00 0.00 179.97 183.32 3djc h LEU 156 N -0.61 0.53 -0.55 3.80 3.38 -1.74 -1.42 115.31 118.69 3djc h LEU 156 Ca -0.01 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3djc h LEU 156 Cb 0.50 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3djc h LEU 156 CO 0.02 0.41 -0.06 0.28 0.09 0.00 0.00 178.44 179.18 3djc h SER 157 N 0.61 1.01 1.13 -0.43 0.02 -1.11 0.25 113.55 115.03 3djc h SER 157 Ca 0.16 -0.33 -0.10 0.00 -0.84 0.00 0.00 61.79 60.69 3djc h SER 157 Cb -0.03 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 3djc h SER 157 CO -0.03 1.10 -0.45 0.00 -1.14 0.00 0.00 176.83 176.30 3djc h ALA 158 N 0.94 0.83 0.03 3.77 0.00 -1.11 -3.22 119.26 120.49 3djc h ALA 158 Ca 0.15 -0.41 -0.27 0.00 0.00 0.00 0.00 54.91 54.37 3djc h ALA 158 Cb 0.62 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3djc h ALA 158 CO 0.04 0.57 -1.48 -0.44 0.00 0.00 0.00 179.25 177.94 3djc h ASP 159 N 0.00 0.10 1.21 0.00 3.45 -1.12 -3.32 116.42 116.74 3djc h ASP 159 Ca -0.00 -0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.30 3djc h ASP 159 Cb 1.14 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.88 3djc h ASP 159 CO 0.06 1.13 0.00 0.00 -1.57 0.00 0.00 179.24 178.86 3djc h ALA 160 N 0.86 1.00 0.00 3.45 0.00 -1.02 -2.48 119.26 121.07 3djc h ALA 160 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3djc h ALA 160 Cb 1.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.73 3djc h ALA 160 CO 0.11 0.00 -0.04 1.28 0.00 0.00 0.00 179.25 180.60 3djc n LEU 161 N -2.95 0.15 0.00 0.00 4.77 -1.22 -4.04 117.00 113.72 3djc n LEU 161 Ca 0.02 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 3djc n LEU 161 Cb 0.35 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3djc n LEU 161 CO 0.28 -0.02 0.07 -1.54 -1.33 0.00 0.00 177.39 174.84 3djc n SER 162 N -1.62 0.26 -0.60 -1.43 3.41 -1.15 -4.41 113.62 108.08 3djc n SER 162 Ca 0.07 -0.66 0.08 0.00 -0.26 0.00 0.00 58.87 58.10 3djc n SER 162 Cb 0.35 0.21 0.26 0.00 -0.26 0.00 0.00 64.21 64.78 3djc n SER 162 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3djc n LYS 163 N -0.21 1.77 -0.01 4.33 2.85 -0.94 -3.50 118.16 122.44 3djc n LYS 163 Ca 0.00 -1.18 -0.02 0.00 -1.05 0.00 0.00 58.31 56.06 3djc n LYS 163 Cb 0.07 -1.33 -0.01 0.00 -0.65 0.00 0.00 35.03 33.11 3djc n LYS 163 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 3djc n ASN 164 N 0.43 2.55 0.00 -5.58 6.94 -1.26 -5.10 115.26 113.23 3djc n ASN 164 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.70 3djc n ASN 164 Cb 0.31 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 3djc n ASN 164 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 3djc n THR 165 N -2.75 0.00 0.00 5.53 -1.04 -1.23 -5.20 114.28 109.59 3djc n THR 165 Ca -0.04 0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 3djc n THR 165 Cb 0.54 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 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 -0.17 0.00 -4.27 12.58 3.14 -1.26 -4.97 118.33 123.38 3djc n VAL 171 Ca 0.00 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.09 3djc n VAL 171 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 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 -2.02 1.99 -0.30 1.45 2.02 -1.26 -4.90 118.70 115.67 3djc s GLU 172 Ca 0.00 -1.15 -0.20 0.00 0.02 0.00 0.00 54.97 53.63 3djc s GLU 172 Cb 0.00 -2.20 -0.01 0.00 0.10 0.00 0.00 34.13 32.02 3djc s GLU 172 CO 0.00 0.48 0.63 -1.50 0.02 0.00 0.00 175.26 174.88 3djc s ILE 173 N -1.35 4.94 0.18 -1.63 1.10 -1.26 -4.92 121.20 118.25 3djc s ILE 173 Ca 0.21 0.86 0.07 0.00 -0.51 0.00 0.00 60.65 61.28 3djc s ILE 173 Cb -0.10 -4.00 -0.04 0.00 0.15 0.00 0.00 42.46 38.47 3djc s ILE 173 CO 0.13 -0.14 -0.14 -0.51 -2.11 0.00 0.00 174.94 172.17 3djc s ILE 174 N 2.61 1.57 -0.39 2.00 1.10 -1.26 -5.08 121.20 121.74 3djc s ILE 174 Ca 0.25 -2.07 -0.27 0.00 -0.51 0.00 0.00 60.65 58.04 3djc s ILE 174 Cb -0.15 -1.90 -0.04 0.00 0.15 0.00 0.00 42.46 40.51 3djc s ILE 174 CO 0.12 -0.57 2.13 -0.75 -2.11 0.00 0.00 174.94 173.76 3djc s LYS 175 N -3.42 2.77 -0.02 3.50 2.20 -1.26 -4.87 119.74 118.64 3djc s LYS 175 Ca 0.18 1.48 -0.21 0.00 -0.36 0.00 0.00 55.97 57.07 3djc s LYS 175 Cb -0.01 -4.40 -0.05 0.00 -1.51 0.00 0.00 37.83 31.85 3djc s LYS 175 CO 0.05 -2.52 0.59 0.95 -0.36 0.00 0.00 175.35 174.06 3djc s THR 176 N 9.36 4.94 -0.11 3.43 -4.23 -1.26 -4.96 115.64 122.80 3djc s THR 176 Ca 0.90 1.24 0.07 0.00 -1.18 0.00 0.00 61.69 62.72 3djc s THR 176 Cb -0.22 -3.93 -0.24 0.00 1.34 0.00 0.00 72.50 69.45 3djc s THR 176 CO 0.30 0.40 0.39 -0.62 -0.54 0.00 0.00 174.62 174.55 3djc n GLU 177 N 2.87 0.68 -4.45 3.99 -0.58 -1.26 -4.91 120.64 116.98 3djc n GLU 177 Ca -0.06 0.22 -0.34 0.00 -0.42 0.00 0.00 57.16 56.56 3djc n GLU 177 Cb 0.51 -1.70 -0.13 0.00 -0.57 0.00 0.00 31.44 29.56 3djc n GLU 177 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3djc s SER 178 N -6.31 4.59 -0.03 1.62 0.01 -1.26 -5.01 113.70 107.31 3djc s SER 178 Ca -0.14 -0.19 0.01 0.00 1.31 0.00 0.00 55.95 56.95 3djc s SER 178 Cb 0.07 -1.74 -0.26 0.00 0.21 0.00 0.00 66.02 64.31 3djc s SER 178 CO 0.79 0.16 0.73 0.58 0.41 0.00 0.00 173.24 175.90 3djc h VAL 179 N 5.24 0.99 -2.55 3.43 2.07 -1.94 -3.42 116.25 120.08 3djc h VAL 179 Ca -0.30 -2.72 -0.68 0.00 0.82 0.00 0.00 66.70 63.82 3djc h VAL 179 Cb 1.19 2.62 -0.17 0.00 -1.52 0.00 0.00 31.29 33.41 3djc h VAL 179 CO 0.61 0.75 0.68 -0.69 0.02 0.00 0.00 177.57 178.94 3djc s VAL 180 N -2.61 4.68 0.46 2.57 1.01 -1.26 -4.82 120.40 120.43 3djc s VAL 180 Ca -0.10 -1.29 -0.23 0.00 0.00 0.00 0.00 61.98 60.36 3djc s VAL 180 Cb 0.07 -4.72 -0.07 0.00 0.00 0.00 0.00 36.38 31.66 3djc s VAL 180 CO 0.83 -1.45 1.19 -0.83 0.00 0.00 0.00 175.10 174.84 3djc s GLY 181 N 3.59 2.80 -0.05 4.51 0.00 -1.26 -4.97 107.32 111.95 3djc s GLY 181 Ca 0.28 0.99 0.11 0.00 0.00 0.00 0.00 44.72 46.10 3djc s GLY 181 CO -0.04 1.46 1.26 0.54 0.00 0.00 0.00 173.10 176.32 3djc n ARG 182 N -0.44 2.83 -3.94 2.90 1.74 -1.26 -4.77 116.66 113.72 3djc n ARG 182 Ca 0.07 -2.20 -0.09 0.00 -0.77 0.00 0.00 57.85 54.86 3djc n ARG 182 Cb 0.47 -1.39 -0.05 0.00 -1.02 0.00 0.00 32.46 30.48 3djc n ARG 182 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3djc s SER 183 N -1.32 -0.13 0.34 0.55 0.01 -1.26 -5.01 113.70 106.88 3djc s SER 183 Ca 0.25 -0.82 0.14 0.00 1.31 0.00 0.00 55.95 56.83 3djc s SER 183 Cb 0.17 0.60 0.60 0.00 0.21 0.00 0.00 66.02 67.59 3djc s SER 183 CO 0.11 -1.14 1.73 0.74 0.41 0.00 0.00 173.24 175.09 3djc h THR 184 N 2.23 1.21 -0.41 1.44 2.02 -1.99 -0.31 112.91 117.10 3djc h THR 184 Ca -0.26 -1.64 -0.11 0.00 0.77 0.00 0.00 66.41 65.17 3djc h THR 184 Cb 1.25 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 3djc h THR 184 CO 0.35 0.45 -0.17 0.40 0.37 0.00 0.00 175.52 176.92 3djc h ILE 185 N 0.00 1.28 0.00 3.11 2.04 -2.00 -2.90 117.51 119.04 3djc h ILE 185 Ca -0.00 -1.30 -0.07 0.00 1.00 0.00 0.00 64.86 64.49 3djc h ILE 185 Cb 0.88 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 3djc h ILE 185 CO 0.06 0.44 -0.33 -0.33 0.00 0.00 0.00 178.15 177.98 3djc h GLU 186 N 0.65 0.00 -0.08 2.37 5.08 -1.85 -2.54 114.58 118.21 3djc h GLU 186 Ca 0.09 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 3djc h GLU 186 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3djc h GLU 186 CO 0.05 0.33 -0.27 0.77 -1.00 0.00 0.00 179.01 178.89 3djc h SER 187 N 0.00 0.37 -0.50 1.42 0.02 -1.08 -3.00 113.55 110.79 3djc h SER 187 Ca -0.00 -0.62 -0.12 0.00 -0.84 0.00 0.00 61.79 60.21 3djc h SER 187 Cb 0.93 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 3djc h SER 187 CO 0.04 0.93 -0.16 -0.29 -1.14 0.00 0.00 176.83 176.22 3djc h ILE 188 N -0.16 1.27 -0.13 3.27 2.10 -1.52 -2.01 117.51 120.33 3djc h ILE 188 Ca -0.01 -1.31 -0.10 0.00 1.08 0.00 0.00 64.86 64.52 3djc h ILE 188 Cb 0.90 1.08 -0.01 0.00 -1.09 0.00 0.00 36.82 37.70 3djc h ILE 188 CO 0.06 0.46 -0.36 1.56 -1.08 0.00 0.00 178.15 178.78 3djc h GLN 189 N 0.84 0.26 0.01 2.19 4.20 -1.57 0.19 115.11 121.24 3djc h GLN 189 Ca 0.12 -0.11 -0.22 0.00 0.06 0.00 0.00 58.65 58.50 3djc h GLN 189 Cb 0.73 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.52 3djc h GLN 189 CO 0.06 0.60 -0.86 0.77 -0.67 0.00 0.00 178.83 178.72 3djc h SER 190 N 0.23 0.74 -0.53 1.46 0.02 -1.54 -2.83 113.55 111.09 3djc h SER 190 Ca 0.03 -0.76 -0.04 0.00 -0.84 0.00 0.00 61.79 60.18 3djc h SER 190 Cb 0.75 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 3djc h SER 190 CO 0.06 1.40 0.17 1.23 -1.14 0.00 0.00 176.83 178.55 3djc h GLY 191 N 0.16 0.89 1.58 -3.77 0.00 -1.11 0.24 103.07 101.05 3djc h GLY 191 Ca -0.11 -0.52 -0.12 0.00 0.00 0.00 0.00 47.33 46.58 3djc h GLY 191 CO 0.17 0.49 -0.39 -2.08 0.00 0.00 0.00 176.54 174.73 3djc h VAL 192 N 0.73 1.30 0.24 4.60 2.07 -0.75 -1.08 116.25 123.37 3djc h VAL 192 Ca 0.17 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 3djc h VAL 192 Cb 0.27 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3djc h VAL 192 CO -0.01 0.48 -0.12 0.22 0.02 0.00 0.00 177.57 178.16 3djc h TYR 193 N 0.39 -0.30 0.00 1.57 3.20 -1.36 -3.18 116.97 117.29 3djc h TYR 193 Ca 0.04 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3djc h TYR 193 Cb 0.86 0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.23 3djc h TYR 193 CO 0.03 -0.19 0.00 0.66 -1.64 0.00 0.00 178.16 177.02 3djc n TYR 194 N -4.45 0.62 -0.04 -3.82 4.01 0.06 -1.69 117.16 111.85 3djc n TYR 194 Ca -0.04 0.21 -0.14 0.00 -0.16 0.00 0.00 57.90 57.77 3djc n TYR 194 Cb 0.13 -0.84 -0.11 0.00 -0.31 0.00 0.00 39.34 38.20 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 3.48 0.07 2.00 2.72 0.00 -1.33 -2.86 103.07 107.16 3djc h GLY 195 Ca 0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 47.33 47.07 3djc h GLY 195 CO 0.00 0.11 -0.66 -0.24 0.00 0.00 0.00 176.54 175.74 3djc h VAL 196 N -0.65 1.21 -0.81 4.60 3.04 -1.52 -1.39 116.25 120.72 3djc h VAL 196 Ca -0.01 -2.52 -0.04 0.00 -1.01 0.00 0.00 66.70 63.12 3djc h VAL 196 Cb 0.83 2.47 -0.04 0.00 -2.01 0.00 0.00 31.29 32.55 3djc h VAL 196 CO 0.02 0.65 0.37 0.25 -1.01 0.00 0.00 177.57 177.84 3djc h LEU 197 N 0.00 1.09 0.12 3.16 5.85 -1.44 -1.15 115.31 122.94 3djc h LEU 197 Ca -0.01 -0.14 -0.29 0.00 0.84 0.00 0.00 57.88 58.28 3djc h LEU 197 Cb 1.42 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 3djc h LEU 197 CO 0.09 0.93 -1.42 1.23 -0.34 0.00 0.00 178.44 178.93 3djc h GLY 198 N 1.18 0.30 0.49 3.75 0.00 -1.52 -3.09 103.07 104.19 3djc h GLY 198 Ca 0.28 -0.76 0.06 0.00 0.00 0.00 0.00 47.33 46.91 3djc h GLY 198 CO -0.03 0.67 0.04 0.00 0.00 0.00 0.00 176.54 177.21 3djc h ALA 199 N 0.53 0.36 -0.07 3.60 0.00 -1.17 -1.38 119.26 121.13 3djc h ALA 199 Ca -0.20 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3djc h ALA 199 Cb 2.00 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.89 3djc h ALA 199 CO 0.18 -0.36 -0.11 0.00 0.00 0.00 0.00 179.25 178.96 3djc h LYS 201 N -0.15 0.53 0.04 0.00 1.57 -1.40 0.84 116.57 118.01 3djc h LYS 201 Ca 0.06 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3djc h LYS 201 Cb 0.24 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3djc h LYS 201 CO -0.16 0.35 -0.02 1.49 -0.57 0.00 0.00 179.45 180.54 3djc h GLU 202 N 0.55 -0.05 -0.98 3.15 4.57 -1.04 -2.85 114.58 117.92 3djc h GLU 202 Ca 0.42 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.63 3djc h GLU 202 Cb 0.58 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.13 3djc h GLU 202 CO -0.36 0.39 0.64 -0.07 -1.18 0.00 0.00 179.01 178.44 3djc h LEU 203 N -0.52 1.09 0.33 1.64 -0.00 -0.48 -0.25 115.31 117.13 3djc h LEU 203 Ca -0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.84 3djc h LEU 203 Cb 0.47 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.87 3djc h LEU 203 CO 0.01 0.77 -0.16 0.40 -0.00 0.00 0.00 178.44 179.46 3djc h ILE 204 N 1.28 0.69 -0.94 1.22 2.04 -0.94 -2.16 117.51 118.69 3djc h ILE 204 Ca 0.38 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 66.08 3djc h ILE 204 Cb -0.06 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 3djc h ILE 204 CO -0.10 0.03 0.61 -0.61 0.00 0.00 0.00 178.15 178.07 3djc h GLN 205 N -0.53 1.25 -0.30 2.37 4.15 -1.20 0.15 115.11 121.00 3djc h GLN 205 Ca -0.05 -0.09 -0.14 0.00 0.77 0.00 0.00 58.65 59.14 3djc h GLN 205 Cb 0.40 -0.28 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 3djc h GLN 205 CO 0.08 0.84 -0.40 0.00 -1.93 0.00 0.00 178.83 177.42 3djc h ARG 206 N 1.28 0.71 -0.10 1.69 2.47 -1.07 -2.83 114.38 116.52 3djc h ARG 206 Ca 0.34 -0.36 -0.22 0.00 -1.26 0.00 0.00 59.98 58.48 3djc h ARG 206 Cb -0.12 0.01 0.01 0.00 -1.65 0.00 0.00 29.97 28.22 3djc h ARG 206 CO -0.07 0.98 -0.81 0.82 0.56 0.00 0.00 179.97 181.45 3djc h ILE 207 N 0.58 1.32 -0.89 2.04 2.04 -0.99 -2.28 117.51 119.33 3djc h ILE 207 Ca 0.05 -2.09 0.14 0.00 1.00 0.00 0.00 64.86 63.95 3djc h ILE 207 Cb 0.93 2.10 -0.07 0.00 -0.74 0.00 0.00 36.82 39.04 3djc h ILE 207 CO 0.08 0.65 0.58 -0.74 0.00 0.00 0.00 178.15 178.72 3djc h HIS 208 N 0.42 0.85 0.00 1.37 2.76 -0.60 0.12 115.15 120.06 3djc h HIS 208 Ca -0.06 0.02 -0.23 0.00 -2.20 0.00 0.00 60.37 57.91 3djc h HIS 208 Cb 1.42 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 30.07 3djc h HIS 208 CO 0.07 0.32 -1.88 0.72 -1.30 0.00 0.00 177.93 175.87 3djc n HIS 209 N -4.56 0.51 -0.07 5.26 8.25 -1.08 -1.61 115.22 121.92 3djc n HIS 209 Ca 0.17 0.18 -0.09 0.00 -0.26 0.00 0.00 57.72 57.71 3djc n HIS 209 Cb 0.44 -0.99 -0.07 0.00 1.12 0.00 0.00 29.99 30.49 3djc n HIS 209 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 3djc h GLU 210 N 0.00 0.00 0.03 -0.41 5.08 -1.09 -2.93 114.58 115.25 3djc h GLU 210 Ca -0.29 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.84 3djc h GLU 210 Cb 1.80 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.02 3djc h GLU 210 CO 0.04 0.56 -1.09 0.00 -1.00 0.00 0.00 179.01 177.52 3djc h ALA 211 N -0.50 0.32 0.00 3.43 0.00 -1.01 -3.38 119.26 118.12 3djc h ALA 211 Ca -0.05 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.93 3djc h ALA 211 Cb 0.65 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3djc h ALA 211 CO -0.03 1.22 0.00 1.19 0.00 0.00 0.00 179.25 181.63 3djc n PHE 212 N -3.37 0.00 -1.57 0.00 3.01 -1.19 -5.01 117.46 109.33 3djc n PHE 212 Ca -0.03 -0.30 0.00 0.00 1.01 0.00 0.00 57.45 58.13 3djc n PHE 212 Cb 0.96 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 40.40 3djc n PHE 212 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 3djc n ASN 213 N -0.30 -0.38 0.00 4.37 6.94 -0.96 -0.39 115.26 124.53 3djc n ASN 213 Ca 0.00 0.19 0.00 0.00 -0.02 0.00 0.00 54.58 54.75 3djc n ASN 213 Cb 0.24 -0.69 0.00 0.00 -2.36 0.00 0.00 39.78 36.97 3djc n ASN 213 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3djc n GLY 214 N -0.19 0.60 3.64 4.83 0.00 -0.64 -4.91 105.19 108.52 3djc n GLY 214 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.08 2.56 0.15 1.61 -0.00 0.47 -4.94 116.67 114.44 3djc s ASP 215 Ca 0.00 1.58 -0.31 0.00 -0.00 0.00 0.00 52.55 53.82 3djc s ASP 215 Cb 0.00 -2.24 -0.10 0.00 -0.00 0.00 0.00 42.92 40.58 3djc s ASP 215 CO 0.00 -3.22 1.63 -1.10 -0.00 0.00 0.00 175.17 172.47 3djc s GLN 216 N -4.75 4.19 0.14 8.23 1.11 -1.26 -5.01 119.66 122.31 3djc s GLN 216 Ca 0.66 2.41 0.07 0.00 0.01 0.00 0.00 55.36 58.51 3djc s GLN 216 Cb -0.21 -3.26 -0.04 0.00 -1.01 0.00 0.00 33.01 28.49 3djc s GLN 216 CO 0.59 -0.67 -0.17 0.96 0.01 0.00 0.00 175.29 176.01 3djc s ILE 217 N 1.56 1.61 -0.08 1.08 -4.36 -1.26 -4.16 121.20 115.59 3djc s ILE 217 Ca 0.72 -1.79 0.05 0.00 -0.26 0.00 0.00 60.65 59.37 3djc s ILE 217 Cb -0.44 -1.68 -0.00 0.00 1.25 0.00 0.00 42.46 41.59 3djc s ILE 217 CO 0.32 -0.32 -0.23 -0.22 0.24 0.00 0.00 174.94 174.73 3djc s LEU 218 N -2.48 2.05 -0.20 0.37 2.96 0.54 -5.00 118.68 116.92 3djc s LEU 218 Ca 0.12 -0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 53.45 3djc s LEU 218 Cb -0.06 -1.35 -0.02 0.00 0.50 0.00 0.00 46.19 45.25 3djc s LEU 218 CO 0.05 0.18 0.01 -0.63 -1.32 0.00 0.00 176.35 174.63 3djc s ILE 219 N 0.20 3.97 -0.00 6.68 1.01 -1.26 -1.60 121.20 130.20 3djc s ILE 219 Ca -0.14 -0.30 0.05 0.00 0.00 0.00 0.00 60.65 60.26 3djc s ILE 219 Cb -0.16 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 3djc s ILE 219 CO 0.07 0.42 -0.15 -0.76 0.00 0.00 0.00 174.94 174.52 3djc s LEU 220 N 1.06 2.75 0.01 2.97 1.02 0.02 -0.82 118.68 125.70 3djc s LEU 220 Ca 0.02 -0.28 0.07 0.00 0.02 0.00 0.00 54.13 53.96 3djc s LEU 220 Cb -0.14 -1.59 -0.02 0.00 0.02 0.00 0.00 46.19 44.46 3djc s LEU 220 CO 0.02 0.30 -0.20 0.00 0.02 0.00 0.00 176.35 176.48 3djc s ALA 221 N -0.85 1.70 0.24 4.21 0.00 -0.05 0.07 121.76 127.08 3djc s ALA 221 Ca 0.14 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 51.07 3djc s ALA 221 Cb -0.11 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 3djc s ALA 221 CO 0.04 0.40 0.36 -0.08 0.00 0.00 0.00 175.76 176.47 3djc s THR 222 N -0.62 0.00 0.00 0.00 -1.32 -0.55 -0.99 115.64 112.15 3djc s THR 222 Ca 0.07 -1.63 0.00 0.00 -1.21 0.00 0.00 61.69 58.92 3djc s THR 222 Cb -0.08 -2.34 0.00 0.00 -1.51 0.00 0.00 72.50 68.56 3djc s THR 222 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 3djc n GLY 223 N -0.36 -0.13 0.10 6.08 0.00 -1.26 -1.12 105.19 108.50 3djc n GLY 223 Ca -0.00 -1.87 -0.03 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.65 -0.02 0.00 -1.85 -3.26 103.07 96.29 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 -3.36 0.28 -0.11 5.60 3.01 -1.21 -4.15 117.46 117.51 3djc n PHE 225 Ca 0.00 -0.14 -0.03 0.00 1.01 0.00 0.00 57.45 58.29 3djc n PHE 225 Cb 0.82 0.00 0.18 0.00 -0.01 0.00 0.00 39.48 40.47 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 4.40 1.17 0.00 4.37 0.00 -1.77 -3.11 119.26 124.32 3djc h ALA 226 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3djc h ALA 226 Cb 0.80 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3djc h ALA 226 CO 0.00 0.55 0.00 0.77 0.00 0.00 0.00 179.25 180.57 3djc h SER 227 N 0.75 0.00 0.81 0.00 0.02 -1.79 -2.92 113.55 110.41 3djc h SER 227 Ca 0.16 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3djc h SER 227 Cb 0.37 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 3djc h SER 227 CO 0.01 0.00 -0.02 -0.07 -1.14 0.00 0.00 176.83 175.61 3djc h LEU 228 N 0.00 0.00 -3.30 5.07 3.38 -1.82 -3.27 115.31 115.37 3djc h LEU 228 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 3djc h LEU 228 Cb 0.48 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.09 3djc h LEU 228 CO 0.00 0.02 -0.47 0.49 0.09 0.00 0.00 178.44 178.57 3djc n PHE 229 N -3.14 1.05 -0.04 1.13 3.72 -1.10 -4.78 117.46 114.30 3djc n PHE 229 Ca -0.00 -1.76 -0.12 0.00 -0.05 0.00 0.00 57.45 55.52 3djc n PHE 229 Cb 0.27 -0.36 -0.06 0.00 -0.94 0.00 0.00 39.48 38.39 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 1.35 0.22 0.38 4.37 1.82 -1.74 -3.30 116.42 119.52 3djc h ASP 230 Ca 0.16 -0.27 -0.17 0.00 -0.39 0.00 0.00 57.03 56.36 3djc h ASP 230 Cb 1.27 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 41.21 3djc h ASP 230 CO 0.33 0.44 -0.70 0.50 -1.61 0.00 0.00 179.24 178.19 3djc h LYS 231 N -0.00 0.28 -0.22 0.28 3.64 -1.90 -3.36 116.57 115.28 3djc h LYS 231 Ca 0.04 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3djc h LYS 231 Cb 0.32 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3djc h LYS 231 CO 0.00 0.87 0.00 1.04 -2.27 0.00 0.00 179.45 179.10 3djc n GLN 232 N -3.81 0.57 -3.52 1.90 3.00 -1.24 -4.81 117.38 109.47 3djc n GLN 232 Ca -0.03 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.70 3djc n GLN 232 Cb 0.69 -1.11 0.04 0.00 0.00 0.00 0.00 30.24 29.86 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 0.13 -0.52 0.09 1.08 0.00 -1.26 -4.92 105.19 99.80 3djc n GLY 233 Ca 0.00 0.18 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 3djc n GLY 233 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3djc h LEU 234 N -1.94 0.00 -9.44 0.99 5.85 -1.85 -3.48 115.31 105.44 3djc h LEU 234 Ca -0.54 -0.57 -0.61 0.00 0.84 0.00 0.00 57.88 57.00 3djc h LEU 234 Cb 1.36 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.26 3djc h LEU 234 CO 0.60 1.31 -0.66 -0.72 -0.34 0.00 0.00 178.44 178.62 3djc s TYR 235 N -2.30 2.38 -0.22 1.25 1.13 -1.26 -4.97 117.35 113.35 3djc s TYR 235 Ca -0.25 -0.55 -0.20 0.00 -1.41 0.00 0.00 57.07 54.65 3djc s TYR 235 Cb 0.04 -1.43 -0.18 0.00 -1.10 0.00 0.00 41.96 39.29 3djc s TYR 235 CO 0.58 0.53 0.12 -0.25 -2.51 0.00 0.00 175.55 174.01 3djc n ASP 236 N -0.81 1.87 -4.39 -0.18 8.00 0.00 -4.98 116.55 116.07 3djc n ASP 236 Ca -0.05 0.41 -0.31 0.00 0.71 0.00 0.00 54.79 55.56 3djc n ASP 236 Cb 0.64 -0.94 -0.14 0.00 -0.02 0.00 0.00 41.12 40.66 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 -2.38 2.43 -0.42 1.24 3.76 -0.35 -5.03 115.29 114.53 3djc s HIS 237 Ca -0.30 -0.35 -0.00 0.00 -0.15 0.00 0.00 55.06 54.26 3djc s HIS 237 Cb 0.07 -1.44 0.12 0.00 1.11 0.00 0.00 32.58 32.43 3djc s HIS 237 CO 0.57 0.15 0.19 -1.17 -0.85 0.00 0.00 174.74 173.64 3djc s LEU 238 N -1.21 5.04 -0.43 0.89 2.96 -1.26 -0.87 118.68 123.81 3djc s LEU 238 Ca 0.12 -2.25 -0.06 0.00 -0.22 0.00 0.00 54.13 51.73 3djc s LEU 238 Cb -0.10 -1.76 0.11 0.00 0.50 0.00 0.00 46.19 44.94 3djc s LEU 238 CO 0.03 -0.45 0.26 -0.69 -1.32 0.00 0.00 176.35 174.17 3djc s VAL 239 N 0.81 3.72 0.41 1.68 1.01 -0.17 -4.98 120.40 122.88 3djc s VAL 239 Ca 0.11 -1.87 0.21 0.00 0.00 0.00 0.00 61.98 60.42 3djc s VAL 239 Cb -0.22 -3.47 0.22 0.00 0.00 0.00 0.00 36.38 32.92 3djc s VAL 239 CO -0.05 -0.69 1.99 1.55 0.00 0.00 0.00 175.10 177.91 3djc h PRO 240 N 8.24 0.00 -1.19 2.72 0.13 -1.94 -3.28 132.00 136.67 3djc h PRO 240 Ca -0.17 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.43 3djc h PRO 240 Cb 1.06 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.77 3djc h PRO 240 CO 0.76 0.19 -0.85 -0.25 -0.23 0.00 0.00 178.00 177.62 3djc n ASP 241 N -3.92 4.07 0.22 1.44 10.43 -1.26 -4.38 116.55 123.15 3djc n ASP 241 Ca -0.02 -3.47 0.07 0.00 2.57 0.00 0.00 54.79 53.95 3djc n ASP 241 Cb 0.28 -0.44 0.50 0.00 1.84 0.00 0.00 41.12 43.30 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 2.55 0.00 0.01 0.64 5.85 -1.93 -2.55 115.31 119.88 3djc h LEU 242 Ca 0.23 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.72 3djc h LEU 242 Cb 1.13 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.18 3djc h LEU 242 CO 0.73 0.26 -0.89 1.62 -0.34 0.00 0.00 178.44 179.82 3djc h VAL 243 N 0.00 1.34 -0.07 1.05 3.04 -1.88 -2.71 116.25 117.02 3djc h VAL 243 Ca -0.00 -2.21 -0.12 0.00 -1.01 0.00 0.00 66.70 63.36 3djc h VAL 243 Cb 0.56 2.51 -0.01 0.00 -2.01 0.00 0.00 31.29 32.34 3djc h VAL 243 CO 0.03 0.67 -0.49 -0.07 -1.01 0.00 0.00 177.57 176.70 3djc h LEU 244 N 0.18 0.20 -0.56 3.16 3.38 -1.90 -0.96 115.31 118.79 3djc h LEU 244 Ca -0.12 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3djc h LEU 244 Cb 1.57 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.24 3djc h LEU 244 CO 0.17 0.66 0.32 1.56 0.09 0.00 0.00 178.44 181.24 3djc h GLN 245 N 0.15 0.78 -0.03 1.13 4.20 -1.56 -2.60 115.11 117.18 3djc h GLN 245 Ca 0.01 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.52 3djc h GLN 245 Cb 0.92 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 3djc h GLN 245 CO 0.07 0.59 -0.50 0.78 -0.67 0.00 0.00 178.83 179.10 3djc h GLY 246 N 0.76 0.08 1.93 3.46 0.00 -0.98 0.79 103.07 109.11 3djc h GLY 246 Ca 0.20 -0.09 -0.20 0.00 0.00 0.00 0.00 47.33 47.24 3djc h GLY 246 CO -0.03 0.08 -0.95 -2.22 0.00 0.00 0.00 176.54 173.42 3djc h ILE 247 N 0.06 1.62 -0.37 2.60 2.04 -1.26 -2.02 117.51 120.17 3djc h ILE 247 Ca -0.00 -3.07 -0.15 0.00 1.00 0.00 0.00 64.86 62.64 3djc h ILE 247 Cb 0.90 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 39.67 3djc h ILE 247 CO 0.07 0.88 -0.35 -0.09 0.00 0.00 0.00 178.15 178.67 3djc h ARG 248 N 0.02 0.89 -0.29 2.37 2.43 -1.21 -1.95 114.38 116.64 3djc h ARG 248 Ca -0.03 -0.46 -0.12 0.00 -0.81 0.00 0.00 59.98 58.56 3djc h ARG 248 Cb 1.65 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 31.21 3djc h ARG 248 CO 0.13 1.11 -0.29 -0.07 -1.51 0.00 0.00 179.97 179.35 3djc h LEU 249 N 0.70 0.75 -1.15 3.80 4.07 -0.90 -2.89 115.31 119.69 3djc h LEU 249 Ca 0.06 -0.47 -0.03 0.00 0.08 0.00 0.00 57.88 57.52 3djc h LEU 249 Cb 0.93 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 42.43 3djc h LEU 249 CO 0.09 1.07 0.25 0.00 -1.08 0.00 0.00 178.44 178.76 3djc h ALA 250 N 0.71 1.33 -0.74 1.53 0.00 -1.41 -2.69 119.26 117.98 3djc h ALA 250 Ca 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3djc h ALA 250 Cb 0.86 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3djc h ALA 250 CO 0.07 0.50 0.37 0.00 0.00 0.00 0.00 179.25 180.19 3djc h ALA 251 N 1.44 0.96 -0.16 0.00 0.00 -1.31 -3.08 119.26 117.11 3djc h ALA 251 Ca 0.20 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3djc h ALA 251 Cb 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3djc h ALA 251 CO -0.02 0.51 -0.45 0.52 0.00 0.00 0.00 179.25 179.81 3djc h MET 252 N 1.04 0.38 0.00 0.00 2.07 -1.31 -2.05 114.93 115.06 3djc h MET 252 Ca 0.26 -0.20 -0.06 0.00 -2.07 0.00 0.00 59.70 57.62 3djc h MET 252 Cb 0.10 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.83 3djc h MET 252 CO -0.03 0.76 -0.29 0.52 1.07 0.00 0.00 176.91 178.93 3djc h MET 253 N 0.31 0.00 -0.27 1.72 2.86 -1.46 -3.03 114.93 115.06 3djc h MET 253 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3djc h MET 253 Cb 0.91 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.57 3djc h MET 253 CO 0.08 0.29 0.00 0.09 1.06 0.00 0.00 176.91 178.43 3djc n ASN 254 N -3.73 3.92 -4.96 1.22 3.02 -1.12 -4.89 115.26 108.72 3djc n ASN 254 Ca -0.01 -2.99 -0.23 0.00 -0.03 0.00 0.00 54.58 51.32 3djc n ASN 254 Cb 0.40 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 39.00 3djc n ASN 254 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3djc s THR 255 N -2.78 5.21 -2.22 3.41 -1.32 -0.79 -5.03 115.64 112.12 3djc s THR 255 Ca 0.42 -0.75 0.30 0.00 -1.21 0.00 0.00 61.69 60.46 3djc s THR 255 Cb 0.34 -3.84 0.75 0.00 -1.51 0.00 0.00 72.50 68.24 3djc s THR 255 CO 0.09 -0.36 2.01 0.00 -2.21 0.00 0.00 174.62 174.15