#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djc s LEU 1 N 0.00 5.25 -0.15 1.04 1.02 -1.26 -3.18 118.68 121.41 3djc s LEU 1 Ca 0.00 -1.38 -0.07 0.00 0.02 0.00 0.00 54.13 52.70 3djc s LEU 1 Cb 0.00 -2.32 -0.04 0.00 0.02 0.00 0.00 46.19 43.85 3djc s LEU 1 CO 0.00 -1.16 0.11 -0.51 0.02 0.00 0.00 176.35 174.81 3djc s ILE 2 N 2.87 5.21 -0.23 -0.59 2.07 -0.95 -2.10 121.20 127.49 3djc s ILE 2 Ca 0.13 0.11 -0.13 0.00 -1.41 0.00 0.00 60.65 59.35 3djc s ILE 2 Cb -0.23 -3.30 -0.05 0.00 0.13 0.00 0.00 42.46 39.01 3djc s ILE 2 CO 0.07 0.55 0.26 -0.22 -1.91 0.00 0.00 174.94 173.68 3djc s LEU 3 N -0.44 4.11 -0.19 8.50 2.96 -0.06 -0.66 118.68 132.91 3djc s LEU 3 Ca 0.11 0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 54.23 3djc s LEU 3 Cb -0.12 -2.26 -0.02 0.00 0.50 0.00 0.00 46.19 44.29 3djc s LEU 3 CO 0.02 -0.01 -0.05 0.00 -1.32 0.00 0.00 176.35 174.99 3djc s ILE 5 N 0.95 2.02 -0.23 0.00 1.01 0.08 -0.96 121.20 124.07 3djc s ILE 5 Ca -0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.64 3djc s ILE 5 Cb -0.15 -1.75 0.02 0.00 0.01 0.00 0.00 42.46 40.59 3djc s ILE 5 CO 0.01 0.55 -0.09 -0.62 0.00 0.00 0.00 174.94 174.79 3djc s ASP 6 N 0.45 4.06 -0.37 3.58 2.15 0.72 -0.65 116.67 126.61 3djc s ASP 6 Ca -0.17 -0.70 -0.16 0.00 0.43 0.00 0.00 52.55 51.95 3djc s ASP 6 Cb -0.17 -1.64 0.00 0.00 -0.30 0.00 0.00 42.92 40.80 3djc s ASP 6 CO 0.07 -0.07 0.41 -0.69 -0.17 0.00 0.00 175.17 174.72 3djc s VAL 7 N 1.36 5.11 0.23 1.11 1.01 0.27 0.52 120.40 130.01 3djc s VAL 7 Ca 0.03 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3djc s VAL 7 Cb -0.15 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.32 3djc s VAL 7 CO -0.06 -0.22 0.10 0.61 0.00 0.00 0.00 175.10 175.53 3djc n GLY 8 N 4.98 3.37 0.34 4.51 0.00 -0.42 -1.64 105.19 116.33 3djc n GLY 8 Ca -0.08 -2.25 0.14 0.00 0.00 0.00 0.00 46.02 43.83 3djc n GLY 8 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3djc n ASN 9 N -1.58 1.12 0.00 1.61 4.13 -1.26 -4.02 115.26 115.27 3djc n ASN 9 Ca -0.05 -1.25 0.00 0.00 1.68 0.00 0.00 54.58 54.97 3djc n ASN 9 Cb 0.27 0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.52 3djc n ASN 9 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3djc n SER 10 N -0.22 1.67 -3.78 6.41 3.41 -1.26 -4.93 113.62 114.91 3djc n SER 10 Ca 0.18 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.66 3djc n SER 10 Cb 0.31 0.23 -0.13 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.08 -0.18 -0.16 7.33 3.76 -1.26 -3.91 115.29 119.80 3djc s HIS 11 Ca 0.00 0.47 -0.28 0.00 -0.15 0.00 0.00 55.06 55.10 3djc s HIS 11 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 32.58 33.69 3djc s HIS 11 CO 0.00 -0.13 0.97 0.42 -0.85 0.00 0.00 174.74 175.15 3djc s ILE 12 N 0.59 4.78 -0.24 0.60 1.01 0.15 -1.31 121.20 126.80 3djc s ILE 12 Ca -0.04 1.92 0.02 0.00 0.00 0.00 0.00 60.65 62.55 3djc s ILE 12 Cb -0.06 -4.26 0.05 0.00 0.01 0.00 0.00 42.46 38.20 3djc s ILE 12 CO -0.03 -0.04 -0.13 -0.47 0.00 0.00 0.00 174.94 174.27 3djc s TYR 13 N 2.39 3.10 0.17 3.97 5.04 0.18 -0.35 117.35 131.86 3djc s TYR 13 Ca 0.44 -2.13 0.08 0.00 -2.44 0.00 0.00 57.07 53.02 3djc s TYR 13 Cb -0.17 -1.91 -0.04 0.00 0.35 0.00 0.00 41.96 40.19 3djc s TYR 13 CO 0.13 -0.86 -0.05 0.20 -1.34 0.00 0.00 175.55 173.63 3djc s GLY 14 N 1.16 1.74 -0.20 8.97 0.00 -0.66 -0.20 107.32 118.14 3djc s GLY 14 Ca -0.05 -1.39 -0.20 0.00 0.00 0.00 0.00 44.72 43.07 3djc s GLY 14 CO -0.07 -1.40 0.57 -0.32 0.00 0.00 0.00 173.10 171.88 3djc s GLY 15 N -2.78 -0.43 -0.18 0.20 0.00 -0.13 -0.63 107.32 103.36 3djc s GLY 15 Ca 0.26 1.56 -0.06 0.00 0.00 0.00 0.00 44.72 46.47 3djc s GLY 15 CO 0.17 1.33 0.03 0.54 0.00 0.00 0.00 173.10 175.16 3djc s VAL 16 N 0.16 4.48 -0.23 1.40 0.11 -0.23 -0.22 120.40 125.85 3djc s VAL 16 Ca -0.01 -0.14 -0.05 0.00 -2.93 0.00 0.00 61.98 58.84 3djc s VAL 16 Cb -0.04 -3.01 -0.02 0.00 -1.53 0.00 0.00 36.38 31.79 3djc s VAL 16 CO 0.01 0.46 0.01 -0.36 -3.33 0.00 0.00 175.10 171.90 3djc s PHE 17 N 0.47 3.02 -0.51 1.54 0.40 0.17 -1.46 117.98 121.61 3djc s PHE 17 Ca 0.01 -0.66 -0.16 0.00 -0.60 0.00 0.00 56.93 55.52 3djc s PHE 17 Cb -0.13 -2.16 0.11 0.00 0.51 0.00 0.00 43.02 41.35 3djc s PHE 17 CO 0.01 -0.43 0.46 0.34 0.70 0.00 0.00 175.22 176.30 3djc s ASP 18 N 1.49 6.17 1.42 1.36 3.68 -0.10 -2.23 116.67 128.46 3djc s ASP 18 Ca 0.06 -1.62 0.00 0.00 2.13 0.00 0.00 52.55 53.12 3djc s ASP 18 Cb -0.15 -2.20 0.00 0.00 -1.45 0.00 0.00 42.92 39.13 3djc s ASP 18 CO 0.00 -0.78 0.00 0.61 0.13 0.00 0.00 175.17 175.13 3djc n GLY 19 N 5.23 1.29 0.11 2.66 0.00 -1.19 -2.63 105.19 110.66 3djc n GLY 19 Ca -0.13 0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 10.43 1.21 -4.84 1.61 4.64 -1.26 -4.99 116.55 123.35 3djc n ASP 20 Ca 0.00 0.16 -0.38 0.00 -1.38 0.00 0.00 54.79 53.19 3djc n ASP 20 Cb 0.00 -0.10 -0.06 0.00 -1.04 0.00 0.00 41.12 39.92 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 -2.55 3.89 -0.20 -0.67 -1.05 -1.08 -5.02 118.70 112.02 3djc s GLU 21 Ca -0.16 0.36 -0.29 0.00 -0.15 0.00 0.00 54.97 54.73 3djc s GLU 21 Cb 0.07 -3.22 -0.01 0.00 -0.44 0.00 0.00 34.13 30.53 3djc s GLU 21 CO 0.77 0.68 1.25 0.42 0.95 0.00 0.00 175.26 179.34 3djc s ILE 22 N -1.02 4.28 -0.07 1.83 1.01 -1.26 -0.92 121.20 125.05 3djc s ILE 22 Ca 0.23 1.53 -0.07 0.00 0.00 0.00 0.00 60.65 62.34 3djc s ILE 22 Cb -0.16 -4.06 -0.28 0.00 0.01 0.00 0.00 42.46 37.96 3djc s ILE 22 CO 0.12 -0.22 0.57 0.50 0.00 0.00 0.00 174.94 175.92 3djc h LYS 23 N 8.39 0.31 -3.63 2.79 3.11 -1.63 -3.48 116.57 122.44 3djc h LYS 23 Ca -0.26 -0.53 -0.20 0.00 -2.81 0.00 0.00 60.65 56.85 3djc h LYS 23 Cb 1.10 0.20 -0.26 0.00 -1.00 0.00 0.00 32.23 32.26 3djc h LYS 23 CO 0.99 1.22 -0.65 -1.17 -2.81 0.00 0.00 179.45 177.03 3djc s LEU 24 N -7.10 1.81 0.08 5.20 2.96 -1.24 -5.03 118.68 115.35 3djc s LEU 24 Ca -0.17 0.03 0.07 0.00 -0.22 0.00 0.00 54.13 53.84 3djc s LEU 24 Cb 0.06 0.22 -0.03 0.00 0.50 0.00 0.00 46.19 46.94 3djc s LEU 24 CO 0.82 -0.07 -0.19 0.00 -1.32 0.00 0.00 176.35 175.58 3djc s ARG 25 N -0.23 1.12 0.29 1.98 1.70 -1.26 -1.07 118.95 121.48 3djc s ARG 25 Ca -0.03 -1.06 -0.06 0.00 -0.47 0.00 0.00 55.73 54.11 3djc s ARG 25 Cb -0.02 -1.30 -0.01 0.00 -0.57 0.00 0.00 34.95 33.05 3djc s ARG 25 CO 0.00 0.31 0.43 -0.59 -1.08 0.00 0.00 175.30 174.37 3djc s PHE 26 N -1.08 0.79 -0.00 5.89 -0.71 0.20 -4.98 117.98 118.09 3djc s PHE 26 Ca 0.05 -1.08 -0.15 0.00 -1.04 0.00 0.00 56.93 54.72 3djc s PHE 26 Cb -0.10 -0.03 0.02 0.00 -1.21 0.00 0.00 43.02 41.70 3djc s PHE 26 CO 0.03 -1.01 0.31 0.50 -1.34 0.00 0.00 175.22 173.71 3djc s ARG 27 N -3.58 0.70 0.11 1.99 3.52 -1.26 -1.65 118.95 118.78 3djc s ARG 27 Ca 0.28 -0.24 -0.10 0.00 -0.13 0.00 0.00 55.73 55.54 3djc s ARG 27 Cb 0.01 0.31 0.01 0.00 -1.56 0.00 0.00 34.95 33.71 3djc s ARG 27 CO 0.15 -0.20 0.25 -1.58 -0.81 0.00 0.00 175.30 173.11 3djc s HIS 28 N -1.55 0.12 0.20 5.12 5.65 0.53 -5.00 115.29 120.36 3djc s HIS 28 Ca -0.12 -0.51 -0.29 0.00 0.25 0.00 0.00 55.06 54.39 3djc s HIS 28 Cb -0.04 0.01 -0.08 0.00 -1.18 0.00 0.00 32.58 31.29 3djc s HIS 28 CO 0.03 -0.61 0.92 0.99 -0.65 0.00 0.00 174.74 175.41 3djc s THR 29 N -3.87 4.20 -0.23 0.89 2.01 -1.26 0.33 115.64 117.71 3djc s THR 29 Ca 0.07 2.02 -0.26 0.00 0.31 0.00 0.00 61.69 63.83 3djc s THR 29 Cb 0.04 -4.30 -0.00 0.00 0.01 0.00 0.00 72.50 68.25 3djc s THR 29 CO -0.09 0.47 0.89 -0.94 -0.69 0.00 0.00 174.62 174.26 3djc s SER 30 N -0.94 6.93 0.00 3.53 1.04 -1.25 -4.52 113.70 118.48 3djc s SER 30 Ca 0.41 1.15 0.00 0.00 0.48 0.00 0.00 55.95 58.00 3djc s SER 30 Cb -0.25 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.40 3djc s SER 30 CO 0.31 -0.55 0.00 2.29 0.98 0.00 0.00 173.24 176.26 3djc n LYS 31 N 6.03 0.00 -2.75 4.02 0.00 -1.26 -4.89 118.16 119.30 3djc n LYS 31 Ca 0.07 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.96 3djc n LYS 31 Cb 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.47 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 -2.75 4.19 0.10 0.58 0.11 -1.26 -4.66 120.40 116.70 3djc s VAL 32 Ca 0.00 -0.43 0.08 0.00 -2.93 0.00 0.00 61.98 58.70 3djc s VAL 32 Cb 0.00 -4.81 -0.04 0.00 -1.53 0.00 0.00 36.38 30.00 3djc s VAL 32 CO 0.00 -1.63 -0.13 -0.44 -3.33 0.00 0.00 175.10 169.57 3djc s SER 33 N 3.86 4.18 0.59 3.54 0.01 -1.26 -5.15 113.70 119.47 3djc s SER 33 Ca 0.30 -0.45 -0.02 0.00 1.31 0.00 0.00 55.95 57.09 3djc s SER 33 Cb -0.10 -0.72 0.03 0.00 0.21 0.00 0.00 66.02 65.44 3djc s SER 33 CO 0.05 0.18 0.85 0.42 0.41 0.00 0.00 173.24 175.16 3djc s THR 34 N -1.17 2.83 0.29 1.44 -4.23 -1.26 -4.83 115.64 108.71 3djc s THR 34 Ca 0.20 -0.44 0.23 0.00 -1.18 0.00 0.00 61.69 60.50 3djc s THR 34 Cb -0.11 -3.12 0.23 0.00 1.34 0.00 0.00 72.50 70.85 3djc s THR 34 CO 0.12 -0.10 1.92 0.77 -0.54 0.00 0.00 174.62 176.79 3djc h SER 35 N -0.13 0.00 0.01 3.99 4.64 -1.95 -1.36 113.55 118.75 3djc h SER 35 Ca -0.44 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.83 3djc h SER 35 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3djc h SER 35 CO 0.56 0.22 -0.20 0.44 -0.87 0.00 0.00 176.83 176.98 3djc h ASP 36 N 0.00 0.16 -0.29 4.97 3.32 -1.94 -0.13 116.42 122.51 3djc h ASP 36 Ca -0.00 -0.81 0.07 0.00 0.02 0.00 0.00 57.03 56.31 3djc h ASP 36 Cb 0.58 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.00 3djc h ASP 36 CO 0.03 0.95 -0.22 -0.33 -1.72 0.00 0.00 179.24 177.95 3djc h GLU 37 N -0.61 -0.19 -0.21 3.56 5.08 -1.92 0.81 114.58 121.10 3djc h GLU 37 Ca -0.03 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 3djc h GLU 37 Cb 0.99 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3djc h GLU 37 CO 0.04 -0.13 -0.31 -0.07 -1.00 0.00 0.00 179.01 177.54 3djc h LEU 38 N -0.20 0.44 -0.17 1.33 3.38 -1.35 -2.45 115.31 116.30 3djc h LEU 38 Ca 0.16 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3djc h LEU 38 Cb 0.44 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3djc h LEU 38 CO -0.41 0.73 -0.36 1.23 0.09 0.00 0.00 178.44 179.72 3djc h GLY 39 N 1.06 0.59 0.80 0.83 0.00 -0.65 -1.26 103.07 104.44 3djc h GLY 39 Ca 0.05 -0.71 0.01 0.00 0.00 0.00 0.00 47.33 46.68 3djc h GLY 39 CO 0.06 0.63 -0.11 -2.22 0.00 0.00 0.00 176.54 174.90 3djc h ILE 40 N 0.18 0.75 -0.31 2.60 1.08 -0.89 -2.58 117.51 118.32 3djc h ILE 40 Ca 0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 3djc h ILE 40 Cb 0.96 0.75 -0.07 0.00 -3.07 0.00 0.00 36.82 35.39 3djc h ILE 40 CO 0.08 0.00 -0.15 0.15 -0.69 0.00 0.00 178.15 177.53 3djc h PHE 41 N -0.21 -0.38 -0.70 1.37 3.57 -1.40 0.10 116.94 119.30 3djc h PHE 41 Ca 0.02 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 3djc h PHE 41 Cb 0.23 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 3djc h PHE 41 CO -0.14 -0.23 0.21 -0.07 -2.23 0.00 0.00 178.31 175.85 3djc h LEU 42 N -0.11 1.02 -0.21 0.59 3.38 -1.16 0.37 115.31 119.19 3djc h LEU 42 Ca 0.16 -0.19 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 3djc h LEU 42 Cb 0.35 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3djc h LEU 42 CO -0.38 0.95 -0.53 0.11 0.09 0.00 0.00 178.44 178.68 3djc h LYS 43 N 1.04 0.73 -0.35 1.13 1.57 -1.27 -3.00 116.57 116.42 3djc h LYS 43 Ca 0.23 -0.51 -0.05 0.00 -1.87 0.00 0.00 60.65 58.45 3djc h LYS 43 Cb 0.31 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3djc h LYS 43 CO -0.01 1.13 0.02 1.03 -0.57 0.00 0.00 179.45 181.05 3djc h SER 44 N 0.45 0.60 -0.37 0.86 0.87 -0.50 -1.59 113.55 113.87 3djc h SER 44 Ca -0.01 -0.29 -0.00 0.00 -1.23 0.00 0.00 61.79 60.26 3djc h SER 44 Cb 1.14 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 3djc h SER 44 CO 0.12 0.74 0.22 1.62 -0.53 0.00 0.00 176.83 179.00 3djc h VAL 45 N 0.43 1.12 0.05 2.23 3.04 -0.34 -2.20 116.25 120.58 3djc h VAL 45 Ca 0.10 -0.28 -0.00 0.00 -1.01 0.00 0.00 66.70 65.51 3djc h VAL 45 Cb 0.42 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 30.29 3djc h VAL 45 CO 0.01 0.12 -0.02 -0.07 -1.01 0.00 0.00 177.57 176.60 3djc h LEU 46 N 0.53 -0.06 -0.78 3.16 3.38 -1.38 -3.19 115.31 116.97 3djc h LEU 46 Ca 0.14 -0.53 0.07 0.00 0.09 0.00 0.00 57.88 57.65 3djc h LEU 46 Cb -0.00 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 3djc h LEU 46 CO -0.02 0.66 0.46 -0.09 0.09 0.00 0.00 178.44 179.53 3djc h ARG 47 N -0.94 0.80 0.00 1.13 2.43 -0.98 -1.06 114.38 115.77 3djc h ARG 47 Ca -0.01 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 3djc h ARG 47 Cb 0.58 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3djc h ARG 47 CO 0.01 0.53 -0.28 0.93 -1.51 0.00 0.00 179.97 179.65 3djc h GLU 48 N 0.83 0.00 -1.01 0.20 4.39 -1.54 -2.77 114.58 114.68 3djc h GLU 48 Ca 0.35 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.48 3djc h GLU 48 Cb 0.22 0.00 -0.29 0.00 -0.10 0.00 0.00 28.75 28.58 3djc h GLU 48 CO -0.19 0.28 0.73 0.09 -1.16 0.00 0.00 179.01 178.76 3djc n ASN 49 N -3.65 5.40 -3.60 1.42 3.02 -0.92 -4.92 115.26 112.00 3djc n ASN 49 Ca -0.01 -3.65 -0.24 0.00 -0.03 0.00 0.00 54.58 50.65 3djc n ASN 49 Cb 0.40 -0.90 0.08 0.00 -0.61 0.00 0.00 39.78 38.75 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 -1.00 -6.15 -3.66 6.41 4.13 -1.04 -5.00 115.26 108.95 3djc n ASN 50 Ca 0.60 -0.55 -0.28 0.00 1.68 0.00 0.00 54.58 56.03 3djc n ASN 50 Cb 1.23 -5.00 -0.16 0.00 -1.54 0.00 0.00 39.78 34.30 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 1.97 6.61 0.36 0.00 0.15 -1.26 -2.50 113.70 119.03 3djc s SER 52 Ca 0.03 2.48 0.26 0.00 0.70 0.00 0.00 55.95 59.42 3djc s SER 52 Cb -0.17 -2.56 1.28 0.00 -1.71 0.00 0.00 66.02 62.86 3djc s SER 52 CO -0.15 -0.88 1.78 -0.65 1.20 0.00 0.00 173.24 174.54 3djc h PRO 53 N 8.26 0.00 -0.06 5.44 0.11 -1.91 -1.55 132.00 142.29 3djc h PRO 53 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3djc h PRO 53 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3djc h PRO 53 CO 0.93 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.11 3djc n GLU 54 N -2.41 1.35 -0.00 1.05 -0.58 -1.26 -3.22 120.64 115.58 3djc n GLU 54 Ca -0.00 -0.53 0.10 0.00 -0.42 0.00 0.00 57.16 56.31 3djc n GLU 54 Cb 0.11 -1.37 -0.12 0.00 -0.57 0.00 0.00 31.44 29.49 3djc n GLU 54 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3djc n THR 55 N -0.28 0.00 -2.38 2.62 -1.04 -0.58 -4.89 114.28 107.73 3djc n THR 55 Ca 0.16 -0.09 -0.43 0.00 -2.04 0.00 0.00 64.05 61.66 3djc n THR 55 Cb 0.20 0.85 -0.02 0.00 -1.82 0.00 0.00 70.33 69.54 3djc n THR 55 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3djc s ILE 56 N -3.02 4.18 -0.08 12.58 -1.09 -1.20 -4.53 121.20 128.05 3djc s ILE 56 Ca 0.05 1.41 0.09 0.00 -2.23 0.00 0.00 60.65 59.98 3djc s ILE 56 Cb 0.15 -3.97 -0.14 0.00 -1.58 0.00 0.00 42.46 36.93 3djc s ILE 56 CO 0.85 -0.18 0.08 0.54 -1.23 0.00 0.00 174.94 174.99 3djc n ARG 57 N 6.79 1.90 -4.39 2.79 5.12 -0.89 -5.00 116.66 122.99 3djc n ARG 57 Ca 0.14 -0.03 -0.20 0.00 -1.93 0.00 0.00 57.85 55.84 3djc n ARG 57 Cb 0.45 -1.26 -0.14 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 -2.36 0.92 -0.03 5.56 -0.14 -1.20 -4.98 119.74 117.51 3djc s LYS 58 Ca -0.05 -0.67 0.03 0.00 -1.36 0.00 0.00 55.97 53.92 3djc s LYS 58 Cb 0.04 -0.91 0.00 0.00 -1.68 0.00 0.00 37.83 35.28 3djc s LYS 58 CO 0.42 0.23 -0.12 0.42 -0.76 0.00 0.00 175.35 175.55 3djc s ILE 59 N -0.72 1.01 -0.11 2.17 1.01 -1.26 -0.88 121.20 122.42 3djc s ILE 59 Ca 0.02 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 3djc s ILE 59 Cb -0.07 -0.88 0.03 0.00 0.01 0.00 0.00 42.46 41.55 3djc s ILE 59 CO 0.01 0.30 -0.03 0.00 0.00 0.00 0.00 174.94 175.22 3djc s ALA 60 N 0.10 1.05 -0.23 9.38 0.00 0.52 -1.07 121.76 131.51 3djc s ALA 60 Ca -0.03 -0.42 -0.03 0.00 0.00 0.00 0.00 51.96 51.49 3djc s ALA 60 Cb -0.09 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.14 3djc s ALA 60 CO 0.01 -0.55 -0.06 0.42 0.00 0.00 0.00 175.76 175.58 3djc s ILE 61 N 1.82 3.07 -0.15 0.00 1.01 0.15 -0.74 121.20 126.37 3djc s ILE 61 Ca 0.04 -0.76 -0.06 0.00 0.00 0.00 0.00 60.65 59.87 3djc s ILE 61 Cb -0.13 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 3djc s ILE 61 CO -0.07 0.33 0.04 0.00 0.00 0.00 0.00 174.94 175.24 3djc s SER 63 N -0.10 -0.10 0.00 0.00 1.04 -1.26 -0.56 113.70 112.72 3djc s SER 63 Ca 0.06 0.26 0.02 0.00 0.48 0.00 0.00 55.95 56.77 3djc s SER 63 Cb -0.12 0.18 -0.00 0.00 0.10 0.00 0.00 66.02 66.17 3djc s SER 63 CO 0.01 -0.12 0.30 0.55 0.98 0.00 0.00 173.24 174.96 3djc n VAL 64 N 3.95 0.00 -3.87 5.02 3.14 -0.65 -4.64 118.33 121.28 3djc n VAL 64 Ca -0.24 -0.48 -0.34 0.00 -2.96 0.00 0.00 64.34 60.32 3djc n VAL 64 Cb 0.53 1.02 -0.13 0.00 -1.06 0.00 0.00 33.84 34.20 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 -0.66 2.90 0.53 1.55 1.01 -1.26 -4.96 120.40 119.52 3djc s VAL 65 Ca 0.01 -2.21 0.19 0.00 0.00 0.00 0.00 61.98 59.97 3djc s VAL 65 Cb 0.01 -3.04 0.29 0.00 0.00 0.00 0.00 36.38 33.65 3djc s VAL 65 CO 0.04 -0.66 2.14 -0.65 0.00 0.00 0.00 175.10 175.97 3djc h PRO 66 N 7.84 0.00 0.00 2.72 0.11 -1.97 -2.93 132.00 137.77 3djc h PRO 66 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3djc h PRO 66 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3djc h PRO 66 CO 0.63 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 180.38 3djc h GLN 67 N 0.00 0.00 0.00 1.05 7.50 -1.96 -1.62 115.11 120.08 3djc h GLN 67 Ca 0.03 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.09 3djc h GLN 67 Cb 0.12 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.64 3djc h GLN 67 CO -0.00 0.00 -0.87 0.28 -1.50 0.00 0.00 178.83 176.74 3djc h VAL 68 N 0.00 0.40 -0.11 -0.54 2.07 -1.78 -3.42 116.25 112.88 3djc h VAL 68 Ca 0.00 -1.67 -0.11 0.00 0.82 0.00 0.00 66.70 65.75 3djc h VAL 68 Cb 0.48 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 3djc h VAL 68 CO 0.00 0.23 -0.41 0.44 0.02 0.00 0.00 177.57 177.85 3djc h ASP 69 N 0.00 0.25 0.54 0.57 3.32 -1.37 -1.87 116.42 117.85 3djc h ASP 69 Ca -0.06 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 3djc h ASP 69 Cb 1.30 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.79 3djc h ASP 69 CO 0.03 0.63 -0.26 0.22 -1.72 0.00 0.00 179.24 178.15 3djc h TYR 70 N 0.20 -0.67 0.00 4.55 3.20 -1.81 -2.87 116.97 119.57 3djc h TYR 70 Ca 0.02 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3djc h TYR 70 Cb 0.81 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.30 3djc h TYR 70 CO 0.01 -0.42 -0.14 0.66 -1.64 0.00 0.00 178.16 176.63 3djc h SER 71 N -0.84 0.00 0.52 -2.11 4.64 -1.85 -1.43 113.55 112.47 3djc h SER 71 Ca -0.07 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.05 3djc h SER 71 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 3djc h SER 71 CO 0.12 0.14 -0.85 0.25 -0.87 0.00 0.00 176.83 175.62 3djc h LEU 72 N 0.00 0.30 -0.30 5.97 5.85 -1.43 0.30 115.31 126.01 3djc h LEU 72 Ca -0.00 -0.23 -0.14 0.00 0.84 0.00 0.00 57.88 58.35 3djc h LEU 72 Cb 0.36 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 3djc h LEU 72 CO 0.02 1.02 -0.36 -0.09 -0.34 0.00 0.00 178.44 178.69 3djc h ARG 73 N 0.14 0.77 0.00 1.25 2.43 -1.19 -3.19 114.38 114.60 3djc h ARG 73 Ca -0.04 -0.43 -0.05 0.00 -0.81 0.00 0.00 59.98 58.64 3djc h ARG 73 Cb 1.47 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.04 3djc h ARG 73 CO 0.13 1.06 -0.25 1.03 -1.51 0.00 0.00 179.97 180.43 3djc h SER 74 N 0.53 0.00 -0.29 -3.80 0.87 -1.20 -2.65 113.55 107.02 3djc h SER 74 Ca 0.04 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.49 3djc h SER 74 Cb 0.95 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 3djc h SER 74 CO 0.09 0.25 -0.22 0.00 -0.53 0.00 0.00 176.83 176.42 3djc h ALA 75 N 1.75 0.89 0.07 6.23 0.00 -0.93 -2.56 119.26 124.71 3djc h ALA 75 Ca -0.00 -0.37 -0.27 0.00 0.00 0.00 0.00 54.91 54.27 3djc h ALA 75 Cb 0.67 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.33 3djc h ALA 75 CO 0.03 0.63 -1.13 0.00 0.00 0.00 0.00 179.25 178.78 3djc h VAL 77 N 0.26 1.28 0.04 0.00 -1.51 -1.30 -1.81 116.25 113.20 3djc h VAL 77 Ca -0.14 -1.58 -0.00 0.00 -1.23 0.00 0.00 66.70 63.74 3djc h VAL 77 Cb 1.79 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 32.41 3djc h VAL 77 CO 0.21 0.52 -0.02 0.50 -1.23 0.00 0.00 177.57 177.55 3djc h LYS 78 N 0.67 -0.05 -0.01 5.19 3.64 -1.45 -3.06 116.57 121.50 3djc h LYS 78 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3djc h LYS 78 Cb 0.98 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3djc h LYS 78 CO 0.09 0.46 -0.74 0.66 -2.27 0.00 0.00 179.45 177.66 3djc n TYR 79 N -4.86 0.00 0.00 1.91 4.01 -0.18 -4.46 117.16 113.58 3djc n TYR 79 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 3djc n TYR 79 Cb 0.27 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 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 -0.95 0.00 -3.64 -0.72 3.01 -0.75 -5.02 117.46 109.39 3djc n PHE 80 Ca 0.06 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.27 3djc n PHE 80 Cb 0.38 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.92 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 -0.61 -6.06 -4.05 4.37 7.64 -0.78 -5.00 113.62 109.13 3djc n SER 81 Ca 0.00 -0.58 -0.27 0.00 1.01 0.00 0.00 58.87 59.03 3djc n SER 81 Cb 0.00 -4.78 -0.17 0.00 -1.01 0.00 0.00 64.21 58.25 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 -3.31 1.37 -0.53 0.44 1.01 -0.99 -4.98 121.20 114.22 3djc s ILE 82 Ca 0.59 -0.58 -0.23 0.00 0.00 0.00 0.00 60.65 60.43 3djc s ILE 82 Cb -0.27 -1.25 0.04 0.00 0.01 0.00 0.00 42.46 40.99 3djc s ILE 82 CO 0.73 0.41 0.88 -0.62 0.00 0.00 0.00 174.94 176.35 3djc s ASP 83 N 0.87 6.34 0.56 3.58 2.15 -1.26 -2.67 116.67 126.24 3djc s ASP 83 Ca -0.10 -0.38 -0.19 0.00 0.43 0.00 0.00 52.55 52.32 3djc s ASP 83 Cb -0.15 -2.41 -0.05 0.00 -0.30 0.00 0.00 42.92 40.01 3djc s ASP 83 CO 0.01 -1.14 1.13 -2.16 -0.17 0.00 0.00 175.17 172.84 3djc s PRO 84 N 3.69 3.25 0.12 4.34 0.04 -1.26 -4.87 135.00 140.32 3djc s PRO 84 Ca 0.29 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.60 3djc s PRO 84 Cb -0.13 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 3djc s PRO 84 CO 0.19 -0.92 1.13 0.12 0.04 0.00 0.00 177.00 177.55 3djc s PHE 85 N -1.87 3.54 -0.20 0.56 5.36 -0.23 -4.91 117.98 120.24 3djc s PHE 85 Ca 0.72 1.50 0.00 0.00 -0.96 0.00 0.00 56.93 58.19 3djc s PHE 85 Cb -0.23 -3.31 0.02 0.00 -0.34 0.00 0.00 43.02 39.15 3djc s PHE 85 CO 0.29 -0.80 -0.16 -0.51 -1.46 0.00 0.00 175.22 172.59 3djc s LEU 86 N 0.28 2.43 -0.83 6.12 2.01 -1.26 0.33 118.68 127.76 3djc s LEU 86 Ca 0.53 -0.68 -0.25 0.00 0.01 0.00 0.00 54.13 53.74 3djc s LEU 86 Cb -0.29 -1.54 -0.00 0.00 0.01 0.00 0.00 46.19 44.37 3djc s LEU 86 CO 0.32 -0.03 1.69 -0.22 1.01 0.00 0.00 176.35 179.12 3djc s LEU 87 N 1.31 3.28 0.49 1.79 2.96 -0.92 -4.90 118.68 122.68 3djc s LEU 87 Ca 0.04 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.39 3djc s LEU 87 Cb -0.14 -2.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 3djc s LEU 87 CO -0.10 -2.20 0.05 -1.10 -1.32 0.00 0.00 176.35 171.68 3djc s GLN 88 N 6.31 2.13 -0.02 1.98 -0.21 -1.26 -4.64 119.66 123.96 3djc s GLN 88 Ca 0.57 -2.36 -0.30 0.00 0.02 0.00 0.00 55.36 53.29 3djc s GLN 88 Cb -0.07 -1.18 -0.09 0.00 1.00 0.00 0.00 33.01 32.68 3djc s GLN 88 CO 0.05 -0.44 2.01 0.00 -2.12 0.00 0.00 175.29 174.79 3djc n ALA 89 N -1.17 1.53 0.00 6.09 0.00 -1.26 -3.72 120.51 121.99 3djc n ALA 89 Ca -0.16 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3djc n ALA 89 Cb 0.66 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.41 3djc n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3djc n GLY 90 N 4.74 2.33 3.73 0.00 0.00 -1.26 -5.08 105.19 109.65 3djc n GLY 90 Ca 0.22 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.29 2.58 0.07 1.61 -7.23 -1.24 -4.95 120.40 109.94 3djc s VAL 91 Ca 0.00 0.25 -0.31 0.00 -1.81 0.00 0.00 61.98 60.12 3djc s VAL 91 Cb 0.00 -2.71 -0.06 0.00 0.56 0.00 0.00 36.38 34.17 3djc s VAL 91 CO 0.00 -0.18 1.20 -0.75 -0.31 0.00 0.00 175.10 175.06 3djc s LYS 92 N -4.19 4.43 -0.01 4.82 2.20 -1.26 -4.90 119.74 120.84 3djc s LYS 92 Ca 0.70 1.78 0.02 0.00 -0.36 0.00 0.00 55.97 58.11 3djc s LYS 92 Cb -0.25 -3.34 -0.03 0.00 -1.51 0.00 0.00 37.83 32.70 3djc s LYS 92 CO 0.48 -0.25 0.04 0.25 -0.36 0.00 0.00 175.35 175.51 3djc n THR 93 N 3.83 0.05 -0.82 3.43 -2.24 -1.26 -4.74 114.28 112.53 3djc n THR 93 Ca 0.09 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3djc n THR 93 Cb 0.46 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 2.51 0.51 3.43 3.38 0.00 -1.26 -4.86 105.19 108.90 3djc n GLY 94 Ca -0.01 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 0.67 -0.39 0.99 0.05 -1.26 -4.98 118.68 113.76 3djc s LEU 95 Ca 0.00 -1.09 -0.07 0.00 0.05 0.00 0.00 54.13 53.02 3djc s LEU 95 Cb 0.00 1.22 0.07 0.00 -2.05 0.00 0.00 46.19 45.43 3djc s LEU 95 CO 0.00 -1.01 0.19 0.21 -0.55 0.00 0.00 176.35 175.19 3djc s ASN 96 N -3.06 5.44 -0.34 1.48 3.04 -0.06 -4.97 114.94 116.48 3djc s ASN 96 Ca 0.28 -1.49 -0.21 0.00 0.04 0.00 0.00 52.86 51.48 3djc s ASN 96 Cb 0.02 -1.91 -0.00 0.00 -1.54 0.00 0.00 41.25 37.82 3djc s ASN 96 CO 0.09 -0.47 0.67 -0.63 -3.04 0.00 0.00 177.10 173.72 3djc s ILE 97 N 1.36 4.88 -2.18 -5.21 1.01 -1.26 0.15 121.20 119.95 3djc s ILE 97 Ca 0.02 0.76 0.29 0.00 0.00 0.00 0.00 60.65 61.72 3djc s ILE 97 Cb -0.22 -4.07 0.55 0.00 0.01 0.00 0.00 42.46 38.73 3djc s ILE 97 CO 0.01 -0.27 1.81 0.29 0.00 0.00 0.00 174.94 176.79 3djc n LYS 98 N 6.05 1.28 -1.67 2.79 4.01 0.15 -4.86 118.16 125.90 3djc n LYS 98 Ca -0.00 -0.63 -0.38 0.00 -0.51 0.00 0.00 58.31 56.79 3djc n LYS 98 Cb 0.49 -1.49 0.05 0.00 -0.51 0.00 0.00 35.03 33.56 3djc n LYS 98 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 3djc n TYR 99 N -0.31 1.54 0.27 2.13 4.02 -1.26 -4.91 117.16 118.63 3djc n TYR 99 Ca 0.18 0.45 0.13 0.00 -0.01 0.00 0.00 57.90 58.64 3djc n TYR 99 Cb 0.30 -2.25 0.74 0.00 -0.02 0.00 0.00 39.34 38.12 3djc n TYR 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3djc h ARG 100 N 0.96 0.00 -2.85 -0.72 3.08 -2.00 -3.34 114.38 109.52 3djc h ARG 100 Ca -0.49 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.06 3djc h ARG 100 Cb 1.34 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.99 3djc h ARG 100 CO 0.54 0.11 -0.76 1.21 -1.07 0.00 0.00 179.97 179.99 3djc s ASN 101 N -6.19 3.02 0.00 7.04 2.47 -1.26 -5.02 114.94 115.00 3djc s ASN 101 Ca -0.03 -1.02 0.04 0.00 0.42 0.00 0.00 52.86 52.27 3djc s ASN 101 Cb 0.13 -0.26 0.18 0.00 -1.45 0.00 0.00 41.25 39.85 3djc s ASN 101 CO 0.58 -0.41 1.07 -2.65 -3.72 0.00 0.00 177.10 171.98 3djc n PRO 102 N 5.26 0.02 0.21 0.43 -0.02 -1.26 -0.94 135.00 138.70 3djc n PRO 102 Ca -0.06 0.38 0.10 0.00 -2.02 0.00 0.00 63.50 61.90 3djc n PRO 102 Cb 0.45 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.63 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 0.24 0.00 -1.45 2.07 -1.95 -3.26 116.25 111.90 3djc h VAL 103 Ca 0.00 -1.25 -0.08 0.00 0.82 0.00 0.00 66.70 66.19 3djc h VAL 103 Cb 0.06 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3djc h VAL 103 CO 0.00 0.13 -0.37 -0.33 0.02 0.00 0.00 177.57 177.02 3djc h GLU 104 N 0.00 0.00 -6.54 1.57 5.08 -1.48 -3.44 114.58 109.78 3djc h GLU 104 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3djc h GLU 104 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3djc h GLU 104 CO 0.02 0.37 0.50 0.08 -1.00 0.00 0.00 179.01 178.98 3djc s VAL 105 N -4.04 4.10 0.52 3.13 1.01 -1.23 -5.01 120.40 118.89 3djc s VAL 105 Ca -0.02 1.61 -0.20 0.00 0.00 0.00 0.00 61.98 63.37 3djc s VAL 105 Cb 0.14 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 3djc s VAL 105 CO 0.71 0.19 1.11 -0.83 0.00 0.00 0.00 175.10 176.27 3djc s GLY 106 N 0.59 2.62 0.46 4.51 0.00 -1.26 -4.94 107.32 109.30 3djc s GLY 106 Ca 0.54 0.78 0.13 0.00 0.00 0.00 0.00 44.72 46.17 3djc s GLY 106 CO 0.31 1.13 2.06 0.00 0.00 0.00 0.00 173.10 176.61 3djc h ALA 107 N 1.34 1.80 -0.02 3.20 0.00 -1.86 -2.30 119.26 121.42 3djc h ALA 107 Ca -0.50 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.22 3djc h ALA 107 Cb 1.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3djc h ALA 107 CO 0.58 0.15 -0.50 0.38 0.00 0.00 0.00 179.25 179.86 3djc h ASP 108 N 0.12 0.05 -0.02 0.00 3.04 -1.92 0.50 116.42 118.19 3djc h ASP 108 Ca 0.03 -0.03 -0.02 0.00 -3.24 0.00 0.00 57.03 53.78 3djc h ASP 108 Cb 0.13 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.41 3djc h ASP 108 CO 0.00 0.54 -0.05 0.03 -2.04 0.00 0.00 179.24 177.73 3djc h ARG 109 N 0.04 0.07 -0.76 4.15 2.47 -1.83 -2.82 114.38 115.72 3djc h ARG 109 Ca -0.00 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 3djc h ARG 109 Cb 0.89 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.19 3djc h ARG 109 CO 0.07 0.65 0.44 0.82 0.56 0.00 0.00 179.97 182.50 3djc h ILE 110 N -0.49 1.22 -0.58 2.04 2.04 -1.21 -0.82 117.51 119.72 3djc h ILE 110 Ca -0.00 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.40 3djc h ILE 110 Cb 0.65 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3djc h ILE 110 CO 0.01 0.23 0.32 0.00 0.00 0.00 0.00 178.15 178.71 3djc h ALA 111 N 1.23 0.75 -0.61 1.87 0.00 -0.11 -0.19 119.26 122.19 3djc h ALA 111 Ca 0.27 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 3djc h ALA 111 Cb -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3djc h ALA 111 CO -0.05 0.01 0.10 -0.91 0.00 0.00 0.00 179.25 178.40 3djc h ASN 112 N 0.62 0.95 0.29 0.00 2.35 -1.11 -1.76 115.58 116.92 3djc h ASN 112 Ca 0.25 -0.21 -0.14 0.00 -0.55 0.00 0.00 56.30 55.65 3djc h ASN 112 Cb 0.11 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 3djc h ASN 112 CO -0.14 0.94 -0.54 0.00 -1.65 0.00 0.00 177.43 176.04 3djc h ALA 113 N 1.17 0.91 -0.12 -0.83 0.00 -1.01 -1.52 119.26 117.86 3djc h ALA 113 Ca 0.19 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3djc h ALA 113 Cb 0.40 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3djc h ALA 113 CO 0.01 0.69 0.02 0.82 0.00 0.00 0.00 179.25 180.79 3djc h ILE 114 N 0.21 1.21 -0.51 0.00 2.04 -0.74 -2.44 117.51 117.27 3djc h ILE 114 Ca 0.00 -0.66 -0.09 0.00 1.00 0.00 0.00 64.86 65.11 3djc h ILE 114 Cb 1.02 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 3djc h ILE 114 CO 0.09 0.19 -0.03 0.00 0.00 0.00 0.00 178.15 178.40 3djc h ALA 115 N 0.80 0.98 -0.14 1.87 0.00 -1.32 -2.71 119.26 118.74 3djc h ALA 115 Ca 0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3djc h ALA 115 Cb 0.28 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3djc h ALA 115 CO 0.00 0.62 -0.04 0.00 0.00 0.00 0.00 179.25 179.83 3djc h ALA 116 N 1.14 0.19 0.00 0.00 0.00 -1.29 -0.73 119.26 118.57 3djc h ALA 116 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3djc h ALA 116 Cb 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3djc h ALA 116 CO 0.03 -0.05 0.00 0.25 0.00 0.00 0.00 179.25 179.48 3djc n THR 117 N -4.70 0.83 -0.07 0.00 -2.24 -0.92 -1.06 114.28 106.11 3djc n THR 117 Ca -0.06 0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.85 3djc n THR 117 Cb 0.26 -1.19 -0.09 0.00 -2.10 0.00 0.00 70.33 67.21 3djc n THR 117 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3djc h HIS 118 N 0.00 0.00 -0.10 4.78 6.17 -1.28 -3.27 115.15 121.45 3djc h HIS 118 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 60.37 60.98 3djc h HIS 118 Cb 0.35 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.27 3djc h HIS 118 CO 0.00 0.81 -0.37 0.77 0.71 0.00 0.00 177.93 179.84 3djc h SER 119 N -1.00 0.21 -2.42 3.26 0.02 -1.01 -3.37 113.55 109.24 3djc h SER 119 Ca -0.07 -0.08 -0.59 0.00 -0.84 0.00 0.00 61.79 60.20 3djc h SER 119 Cb 0.81 -0.06 -0.38 0.00 0.14 0.00 0.00 62.40 62.91 3djc h SER 119 CO -0.04 0.57 -0.94 0.49 -1.14 0.00 0.00 176.83 175.77 3djc n PHE 120 N -4.06 -0.53 0.12 3.45 3.72 -0.23 -5.07 117.46 114.85 3djc n PHE 120 Ca -0.01 -3.40 -0.13 0.00 -0.05 0.00 0.00 57.45 53.85 3djc n PHE 120 Cb 0.44 0.17 -0.06 0.00 -0.94 0.00 0.00 39.48 39.10 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 5.57 -0.51 -0.66 -1.08 0.11 -1.73 -3.27 132.00 130.42 3djc h PRO 121 Ca 0.25 0.04 -0.40 0.00 0.11 0.00 0.00 66.00 66.00 3djc h PRO 121 Cb 0.89 0.12 -0.23 0.00 0.11 0.00 0.00 31.00 31.89 3djc h PRO 121 CO 0.41 -0.34 0.13 0.09 -0.21 0.00 0.00 178.00 178.07 3djc n ASN 122 N -5.41 4.04 -4.37 -2.05 5.03 -1.26 -4.87 115.26 106.37 3djc n ASN 122 Ca -0.07 -3.75 -0.32 0.00 0.87 0.00 0.00 54.58 51.31 3djc n ASN 122 Cb 0.32 -0.70 -0.15 0.00 -1.02 0.00 0.00 39.78 38.24 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 -3.42 2.77 0.11 3.52 -0.21 -1.23 -4.82 119.66 116.37 3djc s GLN 123 Ca 0.52 -0.77 -0.31 0.00 0.02 0.00 0.00 55.36 54.82 3djc s GLN 123 Cb 0.44 -2.37 -0.09 0.00 1.00 0.00 0.00 33.01 31.99 3djc s GLN 123 CO 0.02 0.42 1.64 -0.80 -2.12 0.00 0.00 175.29 174.46 3djc s ASN 124 N -0.23 6.58 -0.04 5.90 0.01 -1.26 -4.00 114.94 121.90 3djc s ASN 124 Ca -0.00 2.57 0.05 0.00 -0.71 0.00 0.00 52.86 54.76 3djc s ASN 124 Cb -0.13 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 38.95 3djc s ASN 124 CO 0.03 -0.88 -0.18 -0.63 -1.51 0.00 0.00 177.10 173.93 3djc s ILE 125 N 2.08 1.48 -0.23 0.60 1.01 0.95 -1.40 121.20 125.69 3djc s ILE 125 Ca 0.73 -0.76 -0.09 0.00 0.00 0.00 0.00 60.65 60.54 3djc s ILE 125 Cb -0.42 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 3djc s ILE 125 CO 0.32 0.42 0.11 -0.63 0.00 0.00 0.00 174.94 175.17 3djc s ILE 126 N -0.08 4.91 -0.28 2.92 1.01 -0.61 -0.84 121.20 128.23 3djc s ILE 126 Ca -0.01 0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.57 3djc s ILE 126 Cb -0.11 -3.27 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 3djc s ILE 126 CO 0.02 0.37 0.12 -0.69 0.00 0.00 0.00 174.94 174.75 3djc s VAL 127 N 1.05 4.53 -0.26 2.92 1.01 -0.69 -0.75 120.40 128.21 3djc s VAL 127 Ca 0.06 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 3djc s VAL 127 Cb -0.14 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 3djc s VAL 127 CO 0.04 0.21 0.18 -0.63 0.00 0.00 0.00 175.10 174.90 3djc s ILE 128 N 1.63 5.32 -0.35 2.22 1.01 -0.16 -1.42 121.20 129.45 3djc s ILE 128 Ca 0.06 0.17 -0.10 0.00 0.00 0.00 0.00 60.65 60.77 3djc s ILE 128 Cb -0.16 -3.51 0.02 0.00 0.01 0.00 0.00 42.46 38.81 3djc s ILE 128 CO 0.05 0.29 0.19 -0.62 0.00 0.00 0.00 174.94 174.85 3djc s ASP 129 N 1.49 5.67 -1.27 3.58 3.68 -1.05 -1.14 116.67 127.63 3djc s ASP 129 Ca 0.07 -0.85 -0.12 0.00 2.13 0.00 0.00 52.55 53.78 3djc s ASP 129 Cb -0.15 -2.01 0.15 0.00 -1.45 0.00 0.00 42.92 39.46 3djc s ASP 129 CO 0.08 -0.33 1.75 0.49 0.13 0.00 0.00 175.17 177.30 3djc n PHE 130 N 4.99 3.80 -1.04 -5.34 3.01 0.11 -1.77 117.46 121.22 3djc n PHE 130 Ca -0.12 -3.00 0.00 0.00 1.01 0.00 0.00 57.45 55.33 3djc n PHE 130 Cb 0.47 -2.13 0.00 0.00 -0.01 0.00 0.00 39.48 37.81 3djc n PHE 130 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3djc n GLY 131 N 3.53 4.87 0.24 1.37 0.00 -1.26 -2.76 105.19 111.18 3djc n GLY 131 Ca 0.41 -1.72 -0.01 0.00 0.00 0.00 0.00 46.02 44.69 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 0.37 -2.48 2.61 2.02 -1.97 -3.39 112.91 110.08 3djc h THR 132 Ca 0.00 0.00 -0.56 0.00 0.77 0.00 0.00 66.41 66.62 3djc h THR 132 Cb 0.00 0.37 -0.09 0.00 -1.74 0.00 0.00 68.15 66.70 3djc h THR 132 CO 0.00 0.00 -0.61 0.00 0.37 0.00 0.00 175.52 175.28 3djc s ALA 133 N -6.22 3.31 -0.46 6.16 0.00 -1.26 -1.47 121.76 121.82 3djc s ALA 133 Ca -0.14 -1.46 -0.19 0.00 0.00 0.00 0.00 51.96 50.17 3djc s ALA 133 Cb 0.19 -1.03 0.03 0.00 0.00 0.00 0.00 23.12 22.31 3djc s ALA 133 CO 0.73 0.36 0.58 0.99 0.00 0.00 0.00 175.76 178.42 3djc s THR 134 N -2.02 4.92 0.20 0.00 2.01 0.98 -4.53 115.64 117.19 3djc s THR 134 Ca 0.30 -0.21 0.04 0.00 0.31 0.00 0.00 61.69 62.13 3djc s THR 134 Cb -0.08 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 3djc s THR 134 CO 0.21 -0.62 0.29 0.42 -0.69 0.00 0.00 174.62 174.23 3djc s THR 135 N 2.56 5.11 -0.10 -0.82 -4.23 -0.73 -0.68 115.64 116.76 3djc s THR 135 Ca 0.17 -0.93 -0.02 0.00 -1.18 0.00 0.00 61.69 59.73 3djc s THR 135 Cb -0.17 -3.70 0.04 0.00 1.34 0.00 0.00 72.50 70.01 3djc s THR 135 CO 0.15 -0.21 0.02 -0.36 -0.54 0.00 0.00 174.62 173.68 3djc s PHE 136 N -1.88 0.66 -0.20 3.99 0.40 -0.35 -2.52 117.98 118.08 3djc s PHE 136 Ca 0.34 -0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.40 3djc s PHE 136 Cb -0.10 -0.81 0.04 0.00 0.51 0.00 0.00 43.02 42.66 3djc s PHE 136 CO 0.28 -0.39 -0.11 0.00 0.70 0.00 0.00 175.22 175.70 3djc s ALA 138 N 1.39 3.58 -0.12 0.00 0.00 0.39 -1.70 121.76 125.30 3djc s ALA 138 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.82 3djc s ALA 138 Cb -0.16 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.53 3djc s ALA 138 CO -0.08 -1.20 -0.12 0.42 0.00 0.00 0.00 175.76 174.78 3djc s ILE 139 N 3.18 1.32 0.58 0.00 1.01 -0.02 -0.94 121.20 126.32 3djc s ILE 139 Ca 0.39 -0.49 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 3djc s ILE 139 Cb -0.14 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 3djc s ILE 139 CO 0.11 0.41 0.93 -0.94 0.00 0.00 0.00 174.94 175.45 3djc s SER 140 N 1.41 5.95 0.39 3.58 1.04 0.27 -0.04 113.70 126.30 3djc s SER 140 Ca 0.01 1.03 0.28 0.00 0.48 0.00 0.00 55.95 57.75 3djc s SER 140 Cb -0.13 -2.11 1.28 0.00 0.10 0.00 0.00 66.02 65.15 3djc s SER 140 CO -0.07 -0.90 1.84 1.12 0.98 0.00 0.00 173.24 176.21 3djc h HIS 141 N -0.15 0.00 -0.58 5.02 2.07 -1.88 -0.19 115.15 119.44 3djc h HIS 141 Ca -0.45 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 56.83 3djc h HIS 141 Cb 1.22 0.00 -0.14 0.00 2.57 0.00 0.00 27.41 31.06 3djc h HIS 141 CO 0.56 0.00 0.30 1.63 -3.07 0.00 0.00 177.93 177.35 3djc n LYS 142 N -2.53 2.43 -2.96 5.12 5.02 -1.26 -4.63 118.16 119.34 3djc n LYS 142 Ca 0.00 -2.05 -0.21 0.00 -2.02 0.00 0.00 58.31 54.03 3djc n LYS 142 Cb 0.19 -1.87 0.01 0.00 -0.02 0.00 0.00 35.03 33.35 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 -0.27 -3.74 -3.35 1.97 5.02 -0.09 -4.81 118.16 112.88 3djc n LYS 143 Ca 0.33 0.76 -0.38 0.00 -2.02 0.00 0.00 58.31 57.01 3djc n LYS 143 Cb 1.16 -5.53 -0.06 0.00 -0.02 0.00 0.00 35.03 30.58 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 -3.02 3.52 -0.56 7.82 0.00 -1.21 -0.88 121.76 127.44 3djc s ALA 144 Ca 0.25 -0.20 -0.21 0.00 0.00 0.00 0.00 51.96 51.81 3djc s ALA 144 Cb -0.12 -2.59 0.06 0.00 0.00 0.00 0.00 23.12 20.47 3djc s ALA 144 CO 0.31 0.10 0.78 -0.47 0.00 0.00 0.00 175.76 176.48 3djc s TYR 145 N 0.28 2.90 -0.11 0.00 5.04 0.40 -0.56 117.35 125.30 3djc s TYR 145 Ca 0.25 -0.47 0.16 0.00 -2.44 0.00 0.00 57.07 54.58 3djc s TYR 145 Cb -0.15 -3.89 -0.17 0.00 0.35 0.00 0.00 41.96 38.10 3djc s TYR 145 CO 0.11 -1.27 0.72 1.28 -1.34 0.00 0.00 175.55 175.05 3djc n LEU 146 N 6.82 0.76 0.00 6.97 4.77 -0.12 -0.68 117.00 135.52 3djc n LEU 146 Ca -0.04 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 3djc n LEU 146 Cb 0.45 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3djc n LEU 146 CO 0.59 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 3djc n GLY 147 N 1.44 0.57 0.00 -0.72 0.00 -1.20 -4.74 105.19 100.53 3djc n GLY 147 Ca -0.12 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.46 3.19 -0.02 0.00 -1.26 -0.46 105.19 106.18 3djc n GLY 148 Ca 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 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 1.07 -0.09 4.61 0.00 -0.48 -4.99 121.76 120.88 3djc s ALA 149 Ca 0.00 -1.42 -0.04 0.00 0.00 0.00 0.00 51.96 50.51 3djc s ALA 149 Cb 0.00 0.29 0.05 0.00 0.00 0.00 0.00 23.12 23.46 3djc s ALA 149 CO 0.00 -0.27 0.18 -1.50 0.00 0.00 0.00 175.76 174.17 3djc s ILE 150 N -3.65 -0.26 0.21 0.00 2.07 -1.26 -1.22 121.20 117.09 3djc s ILE 150 Ca 0.15 0.33 0.07 0.00 -1.41 0.00 0.00 60.65 59.79 3djc s ILE 150 Cb 0.06 -0.31 -0.04 0.00 0.13 0.00 0.00 42.46 42.29 3djc s ILE 150 CO -0.02 0.14 0.09 -0.76 -1.91 0.00 0.00 174.94 172.48 3djc s LEU 151 N 2.21 3.56 0.52 8.50 1.43 0.14 -4.98 118.68 130.06 3djc s LEU 151 Ca 0.02 -0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 52.58 3djc s LEU 151 Cb -0.12 -2.15 -0.06 0.00 0.03 0.00 0.00 46.19 43.89 3djc s LEU 151 CO -0.06 0.03 1.21 -2.16 0.23 0.00 0.00 176.35 175.60 3djc s PRO 152 N -3.36 3.42 0.94 1.29 0.04 -1.26 -0.01 135.00 136.05 3djc s PRO 152 Ca 0.31 1.86 -0.12 0.00 0.04 0.00 0.00 61.00 63.08 3djc s PRO 152 Cb -0.09 -2.23 0.15 0.00 0.04 0.00 0.00 34.50 32.38 3djc s PRO 152 CO 0.22 -0.85 1.12 0.20 0.04 0.00 0.00 177.00 177.72 3djc s GLY 153 N -1.38 1.58 0.26 0.56 0.00 -0.54 -4.13 107.32 103.66 3djc s GLY 153 Ca 0.69 -0.42 -0.02 0.00 0.00 0.00 0.00 44.72 44.97 3djc s GLY 153 CO 0.36 0.15 1.79 1.41 0.00 0.00 0.00 173.10 176.80 3djc h LEU 154 N -1.63 0.61 -0.40 0.66 4.07 -1.84 0.15 115.31 116.93 3djc h LEU 154 Ca -0.52 0.07 -0.11 0.00 0.08 0.00 0.00 57.88 57.41 3djc h LEU 154 Cb 1.32 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 43.01 3djc h LEU 154 CO 0.60 0.31 -0.16 -0.09 -1.08 0.00 0.00 178.44 178.01 3djc h ARG 155 N 0.71 0.82 -0.14 1.13 9.65 -1.88 -1.91 114.38 122.77 3djc h ARG 155 Ca 0.43 -0.35 -0.12 0.00 -1.10 0.00 0.00 59.98 58.85 3djc h ARG 155 Cb 0.51 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 3djc h ARG 155 CO -0.31 0.98 -0.45 -0.07 2.80 0.00 0.00 179.97 182.93 3djc h LEU 156 N 0.64 0.35 -0.27 3.80 3.38 -1.56 -1.14 115.31 120.51 3djc h LEU 156 Ca 0.09 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3djc h LEU 156 Cb 0.71 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3djc h LEU 156 CO 0.05 0.75 0.10 0.28 0.09 0.00 0.00 178.44 179.71 3djc h SER 157 N 0.27 0.38 -0.31 -0.43 0.02 -0.63 -1.44 113.55 111.41 3djc h SER 157 Ca 0.02 -0.18 -0.14 0.00 -0.84 0.00 0.00 61.79 60.65 3djc h SER 157 Cb 0.90 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.33 3djc h SER 157 CO 0.07 0.46 -0.36 0.00 -1.14 0.00 0.00 176.83 175.86 3djc h ALA 158 N 0.94 0.46 -0.26 3.77 0.00 -1.30 -3.12 119.26 119.75 3djc h ALA 158 Ca 0.09 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 3djc h ALA 158 Cb 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3djc h ALA 158 CO -0.01 0.54 -0.14 -0.44 0.00 0.00 0.00 179.25 179.20 3djc h ASP 159 N 0.55 0.43 -0.35 0.00 3.45 -1.22 -2.89 116.42 116.39 3djc h ASP 159 Ca 0.04 -0.11 -0.05 0.00 0.43 0.00 0.00 57.03 57.34 3djc h ASP 159 Cb 0.95 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 39.58 3djc h ASP 159 CO 0.09 0.60 0.06 0.00 -1.57 0.00 0.00 179.24 178.42 3djc h ALA 160 N 1.45 1.31 -0.31 3.45 0.00 -1.25 -1.30 119.26 122.61 3djc h ALA 160 Ca 0.08 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 3djc h ALA 160 Cb 0.49 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3djc h ALA 160 CO 0.03 0.48 -0.44 -0.07 0.00 0.00 0.00 179.25 179.25 3djc h LEU 161 N 0.64 0.92 -0.28 0.00 3.38 -1.45 -2.66 115.31 115.85 3djc h LEU 161 Ca 0.14 -0.51 -0.19 0.00 0.09 0.00 0.00 57.88 57.41 3djc h LEU 161 Cb 0.30 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3djc h LEU 161 CO 0.00 1.24 -0.87 0.77 0.09 0.00 0.00 178.44 179.67 3djc h SER 162 N 0.62 0.15 1.37 -0.43 4.64 -1.43 -3.18 113.55 115.30 3djc h SER 162 Ca 0.03 -0.13 -0.11 0.00 -0.47 0.00 0.00 61.79 61.12 3djc h SER 162 Cb 1.04 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.07 3djc h SER 162 CO 0.10 0.95 -0.64 0.11 -0.87 0.00 0.00 176.83 176.48 3djc h LYS 163 N 0.06 0.00 -0.18 4.77 1.57 -1.28 -3.35 116.57 118.16 3djc h LYS 163 Ca -0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3djc h LYS 163 Cb 1.51 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.81 3djc h LYS 163 CO 0.13 0.44 -0.04 0.09 -0.57 0.00 0.00 179.45 179.50 3djc n ASN 164 N -3.16 3.08 -3.75 0.86 3.02 -1.00 -4.93 115.26 109.38 3djc n ASN 164 Ca 0.00 -3.21 -0.12 0.00 -0.03 0.00 0.00 54.58 51.22 3djc n ASN 164 Cb 0.74 -0.52 -0.12 0.00 -0.61 0.00 0.00 39.78 39.27 3djc n ASN 164 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3djc s THR 165 N -2.94 -0.02 0.27 3.41 2.01 -1.20 -5.02 115.64 112.15 3djc s THR 165 Ca 0.39 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.49 3djc s THR 165 Cb 0.33 -0.40 0.06 0.00 0.01 0.00 0.00 72.50 72.50 3djc s THR 165 CO 0.05 0.03 1.70 0.00 -0.69 0.00 0.00 174.62 175.71 3djc h ALA 166 N 6.60 1.05 0.00 7.40 0.00 -1.90 -3.34 119.26 129.08 3djc h ALA 166 Ca -0.34 -0.36 -0.25 0.00 0.00 0.00 0.00 54.91 53.96 3djc h ALA 166 Cb 1.17 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 3djc h ALA 166 CO 0.35 0.58 -1.78 1.63 0.00 0.00 0.00 179.25 180.03 3djc n LYS 167 N -4.11 0.64 -2.70 0.00 5.02 -1.26 -4.91 118.16 110.84 3djc n LYS 167 Ca -0.00 0.18 -0.42 0.00 -2.02 0.00 0.00 58.31 56.04 3djc n LYS 167 Cb 0.42 -1.72 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 3djc n LYS 167 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3djc s LEU 168 N -5.77 4.25 0.47 -0.35 1.43 -1.25 -5.05 118.68 112.41 3djc s LEU 168 Ca -0.05 1.52 -0.03 0.00 -1.03 0.00 0.00 54.13 54.53 3djc s LEU 168 Cb 0.08 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 3djc s LEU 168 CO 0.83 -0.44 0.74 -2.16 0.23 0.00 0.00 176.35 175.55 3djc s PRO 169 N 1.99 3.31 0.46 1.29 0.04 -1.26 -4.25 135.00 136.57 3djc s PRO 169 Ca 0.48 -0.08 -0.18 0.00 0.04 0.00 0.00 61.00 61.25 3djc s PRO 169 Cb -0.18 -2.44 -0.09 0.00 0.04 0.00 0.00 34.50 31.82 3djc s PRO 169 CO 0.18 -0.25 0.95 -1.54 0.04 0.00 0.00 177.00 176.37 3djc s SER 170 N -4.16 6.78 0.01 6.66 1.04 -1.26 -4.53 113.70 118.24 3djc s SER 170 Ca 0.48 1.60 -0.10 0.00 0.48 0.00 0.00 55.95 58.40 3djc s SER 170 Cb -0.10 -2.51 0.01 0.00 0.10 0.00 0.00 66.02 63.52 3djc s SER 170 CO 0.42 -0.45 0.20 0.54 0.98 0.00 0.00 173.24 174.92 3djc s VAL 171 N -2.37 0.08 0.31 5.02 0.11 -1.26 -5.08 120.40 117.22 3djc s VAL 171 Ca 0.60 -0.70 -0.28 0.00 -2.93 0.00 0.00 61.98 58.67 3djc s VAL 171 Cb -0.09 -0.61 -0.09 0.00 -1.53 0.00 0.00 36.38 34.05 3djc s VAL 171 CO 0.22 -0.38 1.07 -1.61 -3.33 0.00 0.00 175.10 171.06 3djc s GLU 172 N -1.71 4.52 -0.67 1.54 8.01 -1.26 -4.99 118.70 124.14 3djc s GLU 172 Ca -0.12 1.69 -0.22 0.00 0.01 0.00 0.00 54.97 56.33 3djc s GLU 172 Cb -0.05 -3.00 0.08 0.00 -4.31 0.00 0.00 34.13 26.84 3djc s GLU 172 CO 0.01 0.13 0.95 0.42 0.01 0.00 0.00 175.26 176.78 3djc s ILE 173 N -1.31 4.39 0.18 -1.63 -1.09 -1.26 -4.90 121.20 115.57 3djc s ILE 173 Ca 0.48 -0.49 0.10 0.00 -2.23 0.00 0.00 60.65 58.51 3djc s ILE 173 Cb -0.28 -4.67 -0.04 0.00 -1.58 0.00 0.00 42.46 35.88 3djc s ILE 173 CO 0.36 -1.43 -0.15 0.27 -1.23 0.00 0.00 174.94 172.76 3djc s ILE 174 N 3.87 2.91 0.05 2.92 -4.36 -1.26 -5.10 121.20 120.23 3djc s ILE 174 Ca 0.22 -1.76 -0.31 0.00 -0.26 0.00 0.00 60.65 58.55 3djc s ILE 174 Cb -0.17 -2.42 -0.07 0.00 1.25 0.00 0.00 42.46 41.05 3djc s ILE 174 CO 0.09 -0.09 1.44 -0.75 0.24 0.00 0.00 174.94 175.86 3djc s LYS 175 N -2.72 4.28 0.09 0.37 2.20 -1.26 -4.90 119.74 117.80 3djc s LYS 175 Ca 0.23 2.06 0.05 0.00 -0.36 0.00 0.00 55.97 57.95 3djc s LYS 175 Cb -0.09 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 3djc s LYS 175 CO 0.13 -0.55 -0.02 0.99 -0.36 0.00 0.00 175.35 175.54 3djc s THR 176 N 1.98 3.90 -0.86 3.43 2.01 -1.26 -5.03 115.64 119.82 3djc s THR 176 Ca 0.66 -1.01 0.09 0.00 0.31 0.00 0.00 61.69 61.74 3djc s THR 176 Cb -0.35 -2.84 -0.01 0.00 0.01 0.00 0.00 72.50 69.32 3djc s THR 176 CO 0.29 0.14 0.61 -0.62 -0.69 0.00 0.00 174.62 174.34 3djc n GLU 177 N 0.66 2.16 -4.21 4.92 -0.58 -1.26 -5.02 120.64 117.32 3djc n GLU 177 Ca -0.12 -0.57 -0.14 0.00 -0.42 0.00 0.00 57.16 55.91 3djc n GLU 177 Cb 0.52 -1.06 -0.10 0.00 -0.57 0.00 0.00 31.44 30.22 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 -1.32 1.62 -0.12 1.62 1.04 -1.26 -5.06 113.70 110.22 3djc s SER 178 Ca 0.08 -0.90 0.13 0.00 0.48 0.00 0.00 55.95 55.74 3djc s SER 178 Cb 0.08 -0.00 -0.19 0.00 0.10 0.00 0.00 66.02 66.01 3djc s SER 178 CO 0.24 -0.29 0.10 1.33 0.98 0.00 0.00 173.24 175.61 3djc n VAL 179 N 0.25 0.78 -2.73 5.02 0.24 -1.26 -4.71 118.33 115.92 3djc n VAL 179 Ca -0.14 -0.55 -0.43 0.00 -2.04 0.00 0.00 64.34 61.18 3djc n VAL 179 Cb 0.59 -0.47 -0.01 0.00 -1.47 0.00 0.00 33.84 32.48 3djc n VAL 179 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3djc s VAL 180 N -2.48 4.43 0.19 3.34 1.01 -1.26 -4.86 120.40 120.77 3djc s VAL 180 Ca -0.07 -1.93 -0.30 0.00 0.00 0.00 0.00 61.98 59.68 3djc s VAL 180 Cb 0.05 -5.05 -0.09 0.00 0.00 0.00 0.00 36.38 31.30 3djc s VAL 180 CO 0.59 -1.84 1.30 -0.83 0.00 0.00 0.00 175.10 174.33 3djc s GLY 181 N 3.85 2.45 -0.12 4.51 0.00 -1.26 -4.93 107.32 111.82 3djc s GLY 181 Ca 0.47 1.10 0.16 0.00 0.00 0.00 0.00 44.72 46.44 3djc s GLY 181 CO 0.01 2.07 1.49 0.54 0.00 0.00 0.00 173.10 177.21 3djc n ARG 182 N 2.69 3.39 -3.96 2.90 1.74 -1.26 -4.72 116.66 117.44 3djc n ARG 182 Ca 0.06 -2.71 -0.09 0.00 -0.77 0.00 0.00 57.85 54.33 3djc n ARG 182 Cb 0.43 -1.77 -0.07 0.00 -1.02 0.00 0.00 32.46 30.02 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 -1.27 0.08 0.15 0.55 0.15 -1.26 -5.03 113.70 107.08 3djc s SER 183 Ca 0.42 -0.87 -0.12 0.00 0.70 0.00 0.00 55.95 56.08 3djc s SER 183 Cb 0.29 0.40 0.03 0.00 -1.71 0.00 0.00 66.02 65.03 3djc s SER 183 CO 0.16 -0.85 1.62 0.74 1.20 0.00 0.00 173.24 176.12 3djc h THR 184 N 2.62 1.26 -0.48 6.45 2.02 -2.00 -1.67 112.91 121.10 3djc h THR 184 Ca -0.32 -1.01 0.08 0.00 0.77 0.00 0.00 66.41 65.93 3djc h THR 184 Cb 1.22 0.92 -0.07 0.00 -1.74 0.00 0.00 68.15 68.48 3djc h THR 184 CO 0.51 0.36 0.08 0.40 0.37 0.00 0.00 175.52 177.23 3djc h ILE 185 N 0.74 0.71 -0.13 3.11 2.04 -1.97 -2.78 117.51 119.23 3djc h ILE 185 Ca 0.15 -0.07 -0.16 0.00 1.00 0.00 0.00 64.86 65.78 3djc h ILE 185 Cb 0.46 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3djc h ILE 185 CO 0.02 0.04 -0.60 -0.08 0.00 0.00 0.00 178.15 177.52 3djc h GLU 186 N 0.20 0.43 -0.35 2.37 4.81 -1.89 -2.31 114.58 117.85 3djc h GLU 186 Ca 0.24 -0.29 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 3djc h GLU 186 Cb 0.33 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3djc h GLU 186 CO -0.33 0.90 -0.23 0.77 -0.73 0.00 0.00 179.01 179.39 3djc h SER 187 N 0.32 0.68 -0.16 1.04 0.02 -1.21 -0.89 113.55 113.36 3djc h SER 187 Ca -0.01 -0.24 -0.13 0.00 -0.84 0.00 0.00 61.79 60.57 3djc h SER 187 Cb 1.14 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.50 3djc h SER 187 CO 0.11 0.90 -0.41 0.40 -1.14 0.00 0.00 176.83 176.68 3djc h ILE 188 N 0.59 1.34 -0.55 3.27 2.04 -1.38 -2.03 117.51 120.80 3djc h ILE 188 Ca 0.08 -1.68 -0.06 0.00 1.00 0.00 0.00 64.86 64.21 3djc h ILE 188 Cb 0.71 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 3djc h ILE 188 CO 0.05 0.51 0.09 1.56 0.00 0.00 0.00 178.15 180.36 3djc h GLN 189 N 0.21 0.87 -0.10 2.37 4.20 -1.34 0.06 115.11 121.38 3djc h GLN 189 Ca -0.01 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.45 3djc h GLN 189 Cb 1.03 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.69 3djc h GLN 189 CO 0.09 0.82 -0.13 0.77 -0.67 0.00 0.00 178.83 179.71 3djc h SER 190 N 0.83 0.28 0.15 1.46 0.02 -1.23 -3.03 113.55 112.04 3djc h SER 190 Ca 0.17 -0.51 0.02 0.00 -0.84 0.00 0.00 61.79 60.63 3djc h SER 190 Cb 0.37 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 3djc h SER 190 CO 0.01 0.74 -0.44 1.23 -1.14 0.00 0.00 176.83 177.22 3djc h GLY 191 N -0.16 -0.93 0.06 -3.77 0.00 -1.23 -1.54 103.07 95.51 3djc h GLY 191 Ca 0.01 0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.87 3djc h GLY 191 CO 0.03 -0.28 0.00 3.33 0.00 0.00 0.00 176.54 179.62 3djc n VAL 192 N -5.48 0.00 -0.06 4.60 0.24 -0.01 -0.69 118.33 116.94 3djc n VAL 192 Ca -0.08 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.10 3djc n VAL 192 Cb 0.39 -0.06 -0.04 0.00 -1.47 0.00 0.00 33.84 32.66 3djc n VAL 192 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3djc n TYR 193 N -0.53 0.00 0.16 6.34 9.36 -1.04 -4.50 117.16 126.95 3djc n TYR 193 Ca 0.01 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.28 3djc n TYR 193 Cb 0.01 -0.45 0.08 0.00 -0.63 0.00 0.00 39.34 38.34 3djc n TYR 193 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 3djc h TYR 194 N -0.60 0.00 0.28 2.98 0.05 -1.35 -1.83 116.97 116.51 3djc h TYR 194 Ca -0.22 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.56 3djc h TYR 194 Cb 0.99 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.71 3djc h TYR 194 CO -0.15 0.39 -0.39 0.78 -1.05 0.00 0.00 178.16 177.73 3djc h GLY 195 N 3.51 -1.15 1.41 3.88 0.00 -1.06 0.11 103.07 109.76 3djc h GLY 195 Ca -0.00 0.56 -0.07 0.00 0.00 0.00 0.00 47.33 47.81 3djc h GLY 195 CO 0.05 -0.34 -0.04 -0.24 0.00 0.00 0.00 176.54 175.97 3djc h VAL 196 N -0.71 1.24 -0.29 4.60 3.04 -1.74 0.29 116.25 122.68 3djc h VAL 196 Ca -0.03 -1.02 0.05 0.00 -1.01 0.00 0.00 66.70 64.68 3djc h VAL 196 Cb 0.64 0.96 -0.04 0.00 -2.01 0.00 0.00 31.29 30.83 3djc h VAL 196 CO -0.11 0.35 0.02 0.25 -1.01 0.00 0.00 177.57 177.07 3djc h LEU 197 N 0.67 -0.07 -0.87 3.16 7.12 -1.34 0.10 115.31 124.08 3djc h LEU 197 Ca 0.13 0.06 -0.09 0.00 0.13 0.00 0.00 57.88 58.10 3djc h LEU 197 Cb 0.47 0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.69 3djc h LEU 197 CO 0.02 -0.00 -0.18 1.23 -0.13 0.00 0.00 178.44 179.38 3djc h GLY 198 N 0.11 0.69 1.00 3.75 0.00 -0.30 -2.64 103.07 105.68 3djc h GLY 198 Ca 0.14 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 3djc h GLY 198 CO -0.21 0.49 0.32 0.00 0.00 0.00 0.00 176.54 177.14 3djc h ALA 199 N 1.23 0.82 0.31 3.60 0.00 -0.15 -2.30 119.26 122.78 3djc h ALA 199 Ca 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3djc h ALA 199 Cb 0.63 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3djc h ALA 199 CO 0.04 0.37 -0.15 0.00 0.00 0.00 0.00 179.25 179.51 3djc h LYS 201 N -0.47 0.15 -0.40 0.00 1.57 -1.44 0.31 116.57 116.29 3djc h LYS 201 Ca -0.04 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 3djc h LYS 201 Cb 0.35 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3djc h LYS 201 CO 0.07 0.10 -0.16 1.49 -0.57 0.00 0.00 179.45 180.37 3djc h GLU 202 N 0.15 0.81 -0.21 3.15 4.57 -1.37 -2.27 114.58 119.42 3djc h GLU 202 Ca 0.28 -0.34 -0.21 0.00 -1.18 0.00 0.00 59.36 57.92 3djc h GLU 202 Cb 0.43 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.00 3djc h GLU 202 CO -0.44 0.97 -0.67 -0.07 -1.18 0.00 0.00 179.01 177.62 3djc h LEU 203 N 0.62 0.96 -0.51 1.64 -0.00 -0.83 -2.55 115.31 114.63 3djc h LEU 203 Ca 0.09 -0.59 -0.02 0.00 -0.00 0.00 0.00 57.88 57.36 3djc h LEU 203 Cb 0.71 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 41.07 3djc h LEU 203 CO 0.05 1.38 0.23 0.40 -0.00 0.00 0.00 178.44 180.50 3djc h ILE 204 N 0.59 1.20 0.00 1.22 2.04 -0.45 -1.07 117.51 121.04 3djc h ILE 204 Ca -0.02 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 3djc h ILE 204 Cb 1.29 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 3djc h ILE 204 CO 0.14 0.23 -0.25 0.06 0.00 0.00 0.00 178.15 178.33 3djc h GLN 205 N 0.68 0.00 0.07 2.37 3.07 -1.46 -1.78 115.11 118.06 3djc h GLN 205 Ca 0.17 0.00 -0.30 0.00 0.09 0.00 0.00 58.65 58.61 3djc h GLN 205 Cb 0.15 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.68 3djc h GLN 205 CO -0.02 0.25 -1.64 0.00 0.09 0.00 0.00 178.83 177.51 3djc h ARG 206 N 0.00 0.14 -0.48 0.06 3.08 -1.36 -3.27 114.38 112.55 3djc h ARG 206 Ca -0.00 -0.24 -0.11 0.00 0.07 0.00 0.00 59.98 59.69 3djc h ARG 206 Cb 0.86 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 3djc h ARG 206 CO 0.03 0.90 -0.15 0.82 -1.07 0.00 0.00 179.97 180.50 3djc h ILE 207 N 0.04 1.27 -0.76 2.04 2.04 -1.19 0.54 117.51 121.49 3djc h ILE 207 Ca -0.27 -1.29 0.17 0.00 1.00 0.00 0.00 64.86 64.46 3djc h ILE 207 Cb 2.00 1.06 -0.14 0.00 -0.74 0.00 0.00 36.82 39.00 3djc h ILE 207 CO 0.11 0.45 -0.08 -0.74 0.00 0.00 0.00 178.15 177.89 3djc h HIS 208 N 0.82 -0.20 0.05 1.37 2.76 -1.44 -1.48 115.15 117.03 3djc h HIS 208 Ca 0.12 0.06 -0.33 0.00 -2.20 0.00 0.00 60.37 58.02 3djc h HIS 208 Cb 0.70 0.21 -0.04 0.00 1.55 0.00 0.00 27.41 29.83 3djc h HIS 208 CO 0.04 -0.28 -1.86 0.72 -1.30 0.00 0.00 177.93 175.25 3djc n HIS 209 N -5.42 0.87 0.20 5.26 8.25 -1.15 -1.81 115.22 121.42 3djc n HIS 209 Ca 0.12 0.27 0.06 0.00 -0.26 0.00 0.00 57.72 57.91 3djc n HIS 209 Cb 0.44 -1.10 0.39 0.00 1.12 0.00 0.00 29.99 30.84 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 -0.47 0.00 0.00 -0.41 5.08 -0.93 -2.27 114.58 115.58 3djc h GLU 210 Ca -0.45 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.54 3djc h GLU 210 Cb 1.70 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.89 3djc h GLU 210 CO -0.11 0.35 -2.23 0.00 -1.00 0.00 0.00 179.01 176.01 3djc n ALA 211 N -2.32 1.57 0.33 3.43 0.00 -0.57 -4.78 120.51 118.17 3djc n ALA 211 Ca -0.01 -0.88 0.10 0.00 0.00 0.00 0.00 53.44 52.65 3djc n ALA 211 Cb 0.46 0.20 0.16 0.00 0.00 0.00 0.00 19.45 20.28 3djc n ALA 211 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3djc n PHE 212 N -3.94 0.36 -4.05 0.00 0.99 -1.02 -5.01 117.46 104.79 3djc n PHE 212 Ca -0.43 -0.22 -0.27 0.00 -0.00 0.00 0.00 57.45 56.53 3djc n PHE 212 Cb 0.81 -0.00 -0.08 0.00 -1.00 0.00 0.00 39.48 39.21 3djc n PHE 212 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 3djc n ASN 213 N 1.18 0.75 0.00 4.37 0.23 -0.75 -2.22 115.26 118.83 3djc n ASN 213 Ca 0.15 -1.09 0.00 0.00 -0.53 0.00 0.00 54.58 53.12 3djc n ASN 213 Cb 0.52 -1.35 0.00 0.00 -2.08 0.00 0.00 39.78 36.87 3djc n ASN 213 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3djc n GLY 214 N -2.32 0.45 2.63 4.83 0.00 -0.95 -4.96 105.19 104.88 3djc n GLY 214 Ca -0.27 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 3djc n GLY 214 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3djc n ASP 215 N 1.25 -0.61 -4.59 1.61 10.43 -0.94 -4.96 116.55 118.74 3djc n ASP 215 Ca 0.00 -1.20 -0.43 0.00 2.57 0.00 0.00 54.79 55.73 3djc n ASP 215 Cb 0.00 -0.72 -0.02 0.00 1.84 0.00 0.00 41.12 42.22 3djc n ASP 215 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3djc s GLN 216 N -4.94 3.54 0.12 -1.24 1.11 -1.26 -5.01 119.66 111.98 3djc s GLN 216 Ca 0.52 0.70 0.05 0.00 0.01 0.00 0.00 55.36 56.65 3djc s GLN 216 Cb -0.03 -4.02 -0.04 0.00 -1.01 0.00 0.00 33.01 27.91 3djc s GLN 216 CO 0.38 -1.62 0.02 0.96 0.01 0.00 0.00 175.29 175.04 3djc s ILE 217 N 5.33 4.02 0.01 1.08 -4.36 -1.26 -4.26 121.20 121.76 3djc s ILE 217 Ca 0.55 -1.10 0.08 0.00 -0.26 0.00 0.00 60.65 59.92 3djc s ILE 217 Cb -0.11 -2.96 -0.03 0.00 1.25 0.00 0.00 42.46 40.61 3djc s ILE 217 CO 0.30 0.03 -0.24 -0.22 0.24 0.00 0.00 174.94 175.05 3djc s LEU 218 N -2.58 2.23 -0.20 0.37 2.96 -0.49 -5.03 118.68 115.93 3djc s LEU 218 Ca 0.27 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 3djc s LEU 218 Cb -0.11 -1.36 0.03 0.00 0.50 0.00 0.00 46.19 45.25 3djc s LEU 218 CO 0.19 0.29 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.72 3djc s ILE 219 N -0.74 2.01 -0.10 6.68 1.01 -1.26 -1.57 121.20 127.24 3djc s ILE 219 Ca 0.11 -1.13 -0.01 0.00 0.00 0.00 0.00 60.65 59.62 3djc s ILE 219 Cb -0.10 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 3djc s ILE 219 CO 0.01 0.33 -0.04 -0.76 0.00 0.00 0.00 174.94 174.48 3djc s LEU 220 N 1.26 3.32 0.07 2.97 1.02 0.07 -1.11 118.68 126.28 3djc s LEU 220 Ca 0.00 0.00 0.10 0.00 0.02 0.00 0.00 54.13 54.25 3djc s LEU 220 Cb -0.15 -1.76 -0.03 0.00 0.02 0.00 0.00 46.19 44.27 3djc s LEU 220 CO -0.10 0.31 -0.26 0.00 0.02 0.00 0.00 176.35 176.32 3djc s ALA 221 N -0.50 2.23 0.29 4.21 0.00 0.16 -0.99 121.76 127.16 3djc s ALA 221 Ca 0.08 -1.30 -0.06 0.00 0.00 0.00 0.00 51.96 50.67 3djc s ALA 221 Cb -0.12 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 3djc s ALA 221 CO 0.02 0.52 0.43 -0.08 0.00 0.00 0.00 175.76 176.65 3djc s THR 222 N -0.88 0.00 0.00 0.00 -1.32 -0.29 -0.90 115.64 112.25 3djc s THR 222 Ca 0.12 -1.57 0.00 0.00 -1.21 0.00 0.00 61.69 59.02 3djc s THR 222 Cb -0.10 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.43 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 -0.45 0.73 0.26 6.08 0.00 -1.26 0.06 105.19 110.61 3djc n GLY 223 Ca -0.00 -1.82 -0.01 0.00 0.00 0.00 0.00 46.02 44.20 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 0.54 1.23 -0.02 0.00 -1.91 -3.09 103.07 99.81 3djc h GLY 224 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3djc h GLY 224 CO 0.00 0.31 -0.29 0.69 0.00 0.00 0.00 176.54 177.26 3djc n PHE 225 N -4.25 0.00 -0.32 5.60 0.99 -1.14 -4.22 117.46 114.12 3djc n PHE 225 Ca 0.01 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.57 3djc n PHE 225 Cb 0.28 -0.31 0.34 0.00 -1.00 0.00 0.00 39.48 38.79 3djc n PHE 225 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3djc h ALA 226 N 3.13 1.74 0.00 4.37 0.00 -1.74 -2.86 119.26 123.89 3djc h ALA 226 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3djc h ALA 226 Cb 0.48 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3djc h ALA 226 CO 0.00 -0.02 -0.06 0.77 0.00 0.00 0.00 179.25 179.94 3djc h SER 227 N 0.78 0.00 0.56 0.00 0.02 -1.80 -2.27 113.55 110.84 3djc h SER 227 Ca 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 3djc h SER 227 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3djc h SER 227 CO -0.27 0.06 0.00 -0.07 -1.14 0.00 0.00 176.83 175.42 3djc h LEU 228 N 0.00 0.00 -3.07 5.07 3.38 -1.80 -3.16 115.31 115.72 3djc h LEU 228 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3djc h LEU 228 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3djc h LEU 228 CO 0.01 0.00 -0.12 0.49 0.09 0.00 0.00 178.44 178.91 3djc n PHE 229 N -2.49 0.25 0.24 1.13 3.72 -0.85 -4.66 117.46 114.79 3djc n PHE 229 Ca 0.01 -1.15 0.13 0.00 -0.05 0.00 0.00 57.45 56.38 3djc n PHE 229 Cb 0.19 -0.23 0.45 0.00 -0.94 0.00 0.00 39.48 38.95 3djc n PHE 229 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 3djc h ASP 230 N 0.60 0.00 0.00 4.37 -0.00 -1.66 -3.29 116.42 116.43 3djc h ASP 230 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.05 3djc h ASP 230 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.46 3djc h ASP 230 CO 0.07 0.09 0.00 1.17 -0.00 0.00 0.00 179.24 180.57 3djc n LYS 231 N -3.18 0.00 -0.11 4.15 4.81 -1.26 -4.51 118.16 118.06 3djc n LYS 231 Ca 0.01 0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 3djc n LYS 231 Cb 0.42 -1.29 0.00 0.00 0.02 0.00 0.00 35.03 34.18 3djc n LYS 231 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3djc n GLN 232 N -1.50 0.64 -3.94 1.64 3.00 -1.24 -4.71 117.38 111.27 3djc n GLN 232 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 3djc n GLN 232 Cb 0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 30.24 29.04 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 1.03 -0.23 0.20 1.08 0.00 -1.26 -4.89 105.19 101.11 3djc n GLY 233 Ca 0.00 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.39 1.82 -4.38 0.99 7.94 -1.26 -5.00 117.00 112.71 3djc n LEU 234 Ca -0.30 0.31 -0.28 0.00 -1.11 0.00 0.00 56.01 54.63 3djc n LEU 234 Cb 0.68 -0.75 -0.13 0.00 0.53 0.00 0.00 43.42 43.75 3djc n LEU 234 CO 0.75 0.44 -0.56 -0.72 -1.11 0.00 0.00 177.39 176.18 3djc s TYR 235 N -2.52 2.26 -0.04 1.96 1.13 -1.26 -4.97 117.35 113.92 3djc s TYR 235 Ca -0.35 -0.38 -0.24 0.00 -1.41 0.00 0.00 57.07 54.69 3djc s TYR 235 Cb 0.13 -1.21 -0.22 0.00 -1.10 0.00 0.00 41.96 39.55 3djc s TYR 235 CO 0.45 0.35 1.08 -0.44 -2.51 0.00 0.00 175.55 174.48 3djc h ASP 236 N 3.81 0.24 -4.37 -0.18 3.32 -1.51 -3.47 116.42 114.26 3djc h ASP 236 Ca -0.50 -0.72 -0.42 0.00 0.02 0.00 0.00 57.03 55.41 3djc h ASP 236 Cb 1.18 -0.07 -0.24 0.00 0.22 0.00 0.00 39.33 40.41 3djc h ASP 236 CO 0.40 0.92 -0.78 -1.00 -1.72 0.00 0.00 179.24 177.06 3djc s HIS 237 N -3.34 1.16 -0.27 4.55 3.76 -0.85 -5.04 115.29 115.26 3djc s HIS 237 Ca -0.16 -0.37 -0.04 0.00 -0.15 0.00 0.00 55.06 54.35 3djc s HIS 237 Cb 0.01 -0.68 0.02 0.00 1.11 0.00 0.00 32.58 33.04 3djc s HIS 237 CO 0.74 0.03 -0.00 -1.17 -0.85 0.00 0.00 174.74 173.49 3djc s LEU 238 N -1.24 3.49 -0.53 0.89 0.20 -1.26 -0.66 118.68 119.57 3djc s LEU 238 Ca 0.00 -0.83 -0.01 0.00 0.69 0.00 0.00 54.13 53.98 3djc s LEU 238 Cb -0.08 -1.75 0.14 0.00 -0.43 0.00 0.00 46.19 44.07 3djc s LEU 238 CO 0.01 -0.16 0.33 -0.69 -0.29 0.00 0.00 176.35 175.55 3djc s VAL 239 N 1.39 3.32 -0.06 1.68 1.01 -0.07 -4.96 120.40 122.71 3djc s VAL 239 Ca 0.01 -2.76 0.29 0.00 0.00 0.00 0.00 61.98 59.52 3djc s VAL 239 Cb -0.17 -3.23 0.30 0.00 0.00 0.00 0.00 36.38 33.28 3djc s VAL 239 CO -0.02 -0.80 1.87 1.55 0.00 0.00 0.00 175.10 177.71 3djc h PRO 240 N 7.23 0.00 -0.22 2.72 0.13 -1.94 -3.00 132.00 136.93 3djc h PRO 240 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3djc h PRO 240 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3djc h PRO 240 CO 0.69 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.21 3djc n ASP 241 N -2.55 3.51 -0.02 1.44 10.43 -1.26 -4.74 116.55 123.35 3djc n ASP 241 Ca -0.00 -2.92 0.03 0.00 2.57 0.00 0.00 54.79 54.47 3djc n ASP 241 Cb 0.14 -0.49 0.38 0.00 1.84 0.00 0.00 41.12 43.00 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 1.48 0.51 -0.04 0.64 5.85 -1.93 0.22 115.31 122.05 3djc h LEU 242 Ca 0.00 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 3djc h LEU 242 Cb 1.29 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.19 3djc h LEU 242 CO 0.16 0.41 -0.15 1.62 -0.34 0.00 0.00 178.44 180.14 3djc h VAL 243 N 0.59 1.46 -0.93 1.05 3.04 -1.87 -2.92 116.25 116.69 3djc h VAL 243 Ca 0.15 -1.60 -0.01 0.00 -1.01 0.00 0.00 66.70 64.24 3djc h VAL 243 Cb 0.00 2.41 -0.04 0.00 -2.01 0.00 0.00 31.29 31.64 3djc h VAL 243 CO -0.03 0.44 0.55 -0.07 -1.01 0.00 0.00 177.57 177.45 3djc h LEU 244 N -0.38 1.12 0.08 3.16 3.38 -1.81 -1.73 115.31 119.13 3djc h LEU 244 Ca -0.01 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3djc h LEU 244 Cb 0.79 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3djc h LEU 244 CO 0.03 0.86 -0.15 1.56 0.09 0.00 0.00 178.44 180.83 3djc h GLN 245 N 1.28 -0.29 0.00 1.13 4.20 -0.66 -2.78 115.11 118.00 3djc h GLN 245 Ca 0.33 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.06 3djc h GLN 245 Cb -0.04 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3djc h GLN 245 CO -0.06 -0.19 0.00 0.41 -0.67 0.00 0.00 178.83 178.32 3djc n GLY 246 N -1.28 -1.35 0.10 3.46 0.00 -1.09 -1.85 105.19 103.18 3djc n GLY 246 Ca -0.07 0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 3djc n GLY 246 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3djc h ILE 247 N 0.00 1.44 -0.67 -0.61 2.04 -1.07 -2.53 117.51 116.11 3djc h ILE 247 Ca 0.00 -1.54 -0.05 0.00 1.00 0.00 0.00 64.86 64.27 3djc h ILE 247 Cb 0.42 2.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.80 3djc h ILE 247 CO 0.00 0.42 0.22 -0.09 0.00 0.00 0.00 178.15 178.71 3djc h ARG 248 N -0.34 1.03 -0.34 2.37 2.43 -1.25 -2.20 114.38 116.09 3djc h ARG 248 Ca -0.00 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 58.94 3djc h ARG 248 Cb 0.77 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 3djc h ARG 248 CO 0.03 0.89 0.18 -0.07 -1.51 0.00 0.00 179.97 179.49 3djc h LEU 249 N 0.96 0.43 -1.52 3.80 4.07 -1.44 -2.30 115.31 119.32 3djc h LEU 249 Ca 0.22 -0.09 -0.05 0.00 0.08 0.00 0.00 57.88 58.03 3djc h LEU 249 Cb 0.28 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 3djc h LEU 249 CO -0.01 0.40 -0.23 0.00 -1.08 0.00 0.00 178.44 177.52 3djc h ALA 250 N 1.05 1.28 0.00 1.53 0.00 -1.38 -1.99 119.26 119.74 3djc h ALA 250 Ca 0.12 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 3djc h ALA 250 Cb 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3djc h ALA 250 CO -0.02 0.29 -0.55 0.00 0.00 0.00 0.00 179.25 178.98 3djc h ALA 251 N 1.77 0.89 0.18 0.00 0.00 -1.08 -3.04 119.26 117.98 3djc h ALA 251 Ca -0.00 -0.50 -0.32 0.00 0.00 0.00 0.00 54.91 54.09 3djc h ALA 251 Cb 0.53 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.25 3djc h ALA 251 CO 0.03 0.68 -1.50 0.52 0.00 0.00 0.00 179.25 178.98 3djc h MET 252 N 0.00 0.37 -0.19 0.00 2.07 -0.86 -2.87 114.93 113.45 3djc h MET 252 Ca -0.01 -0.63 -0.01 0.00 -2.07 0.00 0.00 59.70 56.98 3djc h MET 252 Cb 1.11 0.24 -0.01 0.00 -1.87 0.00 0.00 31.60 31.06 3djc h MET 252 CO 0.07 1.28 0.09 0.52 1.07 0.00 0.00 176.91 179.94 3djc h MET 253 N 0.10 0.25 -0.61 1.72 2.86 -1.43 -2.11 114.93 115.72 3djc h MET 253 Ca -0.24 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3djc h MET 253 Cb 2.07 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.68 3djc h MET 253 CO 0.21 0.20 0.00 0.09 1.06 0.00 0.00 176.91 178.47 3djc n ASN 254 N -4.48 4.32 0.00 1.22 3.02 -1.15 -4.95 115.26 113.25 3djc n ASN 254 Ca -0.00 -2.33 0.00 0.00 -0.03 0.00 0.00 54.58 52.21 3djc n ASN 254 Cb 0.10 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 3djc n ASN 254 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05