#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 4.37 -0.04 1.04 1.02 -1.26 -4.70 118.68 119.12 3djc s LEU 1 Ca 0.00 2.75 0.03 0.00 0.02 0.00 0.00 54.13 56.93 3djc s LEU 1 Cb 0.00 -3.69 0.00 0.00 0.02 0.00 0.00 46.19 42.52 3djc s LEU 1 CO 0.00 -0.65 -0.12 -0.51 0.02 0.00 0.00 176.35 175.09 3djc s ILE 2 N -1.16 1.04 -0.39 -0.59 2.07 -1.08 -1.62 121.20 119.48 3djc s ILE 2 Ca 0.51 -0.48 -0.13 0.00 -1.41 0.00 0.00 60.65 59.14 3djc s ILE 2 Cb -0.41 -0.93 0.02 0.00 0.13 0.00 0.00 42.46 41.28 3djc s ILE 2 CO 0.54 0.32 0.25 -0.22 -1.91 0.00 0.00 174.94 173.92 3djc s LEU 3 N 0.30 4.89 -0.15 8.50 2.96 0.26 -1.46 118.68 133.97 3djc s LEU 3 Ca -0.06 -0.95 -0.14 0.00 -0.22 0.00 0.00 54.13 52.75 3djc s LEU 3 Cb -0.11 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 3djc s LEU 3 CO 0.02 -0.41 0.32 0.00 -1.32 0.00 0.00 176.35 174.95 3djc s ILE 5 N 0.48 1.43 -0.30 0.00 1.01 0.01 -1.08 121.20 122.74 3djc s ILE 5 Ca 0.18 -0.57 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 3djc s ILE 5 Cb -0.13 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 3djc s ILE 5 CO 0.05 0.43 0.14 -0.62 0.00 0.00 0.00 174.94 174.94 3djc s ASP 6 N 1.27 5.50 -0.57 3.58 2.15 0.14 -0.94 116.67 127.80 3djc s ASP 6 Ca -0.01 -0.45 -0.17 0.00 0.43 0.00 0.00 52.55 52.35 3djc s ASP 6 Cb -0.14 -1.99 0.13 0.00 -0.30 0.00 0.00 42.92 40.62 3djc s ASP 6 CO -0.06 -0.16 0.58 -0.69 -0.17 0.00 0.00 175.17 174.67 3djc s VAL 7 N 1.62 5.12 0.66 1.11 1.01 0.30 0.17 120.40 130.37 3djc s VAL 7 Ca 0.05 -1.41 0.06 0.00 0.00 0.00 0.00 61.98 60.68 3djc s VAL 7 Cb -0.17 -4.39 0.12 0.00 0.00 0.00 0.00 36.38 31.94 3djc s VAL 7 CO 0.06 -0.96 0.91 -0.83 0.00 0.00 0.00 175.10 174.28 3djc s GLY 8 N 3.54 1.72 0.09 4.51 0.00 0.30 -2.00 107.32 115.48 3djc s GLY 8 Ca 0.06 -2.07 -0.02 0.00 0.00 0.00 0.00 44.72 42.70 3djc s GLY 8 CO 0.03 -1.52 1.19 3.43 0.00 0.00 0.00 173.10 176.23 3djc h ASN 9 N -0.18 0.33 0.12 1.64 2.35 -1.97 -3.36 115.58 114.52 3djc h ASN 9 Ca -0.31 -0.35 -0.01 0.00 -0.55 0.00 0.00 56.30 55.08 3djc h ASN 9 Cb 1.28 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.54 3djc h ASN 9 CO 0.39 1.26 -0.06 0.28 -1.65 0.00 0.00 177.43 177.65 3djc h SER 10 N 0.07 -0.14 -4.45 5.81 0.02 -1.96 -3.44 113.55 109.46 3djc h SER 10 Ca -0.10 -0.04 -0.40 0.00 -0.84 0.00 0.00 61.79 60.40 3djc h SER 10 Cb 1.90 0.04 -0.23 0.00 0.14 0.00 0.00 62.40 64.24 3djc h SER 10 CO 0.18 0.36 -0.78 -1.00 -1.14 0.00 0.00 176.83 174.46 3djc s HIS 11 N -2.13 1.13 -0.36 3.45 3.76 -1.26 -2.49 115.29 117.39 3djc s HIS 11 Ca -0.03 -0.42 -0.24 0.00 -0.15 0.00 0.00 55.06 54.22 3djc s HIS 11 Cb 0.00 -0.65 0.01 0.00 1.11 0.00 0.00 32.58 33.05 3djc s HIS 11 CO 0.11 0.03 0.83 0.42 -0.85 0.00 0.00 174.74 175.27 3djc s ILE 12 N -1.13 4.69 -0.20 0.60 1.01 0.30 -0.54 121.20 125.94 3djc s ILE 12 Ca -0.02 0.98 -0.03 0.00 0.00 0.00 0.00 60.65 61.58 3djc s ILE 12 Cb -0.09 -4.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 3djc s ILE 12 CO 0.02 -0.46 -0.06 -0.47 0.00 0.00 0.00 174.94 173.97 3djc s TYR 13 N 3.21 2.94 0.29 3.97 5.04 0.12 0.22 117.35 133.15 3djc s TYR 13 Ca 0.33 -0.81 0.12 0.00 -2.44 0.00 0.00 57.07 54.27 3djc s TYR 13 Cb -0.13 -2.05 -0.05 0.00 0.35 0.00 0.00 41.96 40.08 3djc s TYR 13 CO 0.17 -0.43 -0.18 0.20 -1.34 0.00 0.00 175.55 173.98 3djc s GLY 14 N 1.16 1.92 0.12 8.97 0.00 -0.13 0.27 107.32 119.63 3djc s GLY 14 Ca 0.02 -1.90 -0.15 0.00 0.00 0.00 0.00 44.72 42.69 3djc s GLY 14 CO -0.01 -1.97 0.37 -0.32 0.00 0.00 0.00 173.10 171.18 3djc s GLY 15 N -3.53 -0.20 -0.05 0.20 0.00 -0.24 -0.99 107.32 102.51 3djc s GLY 15 Ca 0.30 -0.15 0.05 0.00 0.00 0.00 0.00 44.72 44.92 3djc s GLY 15 CO 0.15 -0.38 -0.20 0.54 0.00 0.00 0.00 173.10 173.21 3djc s VAL 16 N -3.82 1.70 -0.26 1.40 0.11 -0.32 -1.11 120.40 118.11 3djc s VAL 16 Ca 0.04 -0.86 -0.06 0.00 -2.93 0.00 0.00 61.98 58.16 3djc s VAL 16 Cb 0.02 -1.45 -0.01 0.00 -1.53 0.00 0.00 36.38 33.41 3djc s VAL 16 CO -0.11 0.48 0.05 -0.36 -3.33 0.00 0.00 175.10 171.83 3djc s PHE 17 N -0.00 3.07 -1.24 1.54 0.40 -0.54 -1.77 117.98 119.44 3djc s PHE 17 Ca -0.05 -0.69 -0.14 0.00 -0.60 0.00 0.00 56.93 55.46 3djc s PHE 17 Cb -0.13 -2.21 0.15 0.00 0.51 0.00 0.00 43.02 41.34 3djc s PHE 17 CO 0.03 -0.46 1.57 -3.47 0.70 0.00 0.00 175.22 173.60 3djc n ASP 18 N 4.88 5.13 0.00 1.36 4.64 -0.27 -2.62 116.55 129.66 3djc n ASP 18 Ca -0.16 -2.99 0.00 0.00 -1.38 0.00 0.00 54.79 50.26 3djc n ASP 18 Cb 0.50 -1.58 0.00 0.00 -1.04 0.00 0.00 41.12 39.00 3djc n ASP 18 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3djc n GLY 19 N 4.05 1.65 0.07 0.27 0.00 -1.26 -3.76 105.19 106.20 3djc n GLY 19 Ca 0.39 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 7.89 0.47 -4.73 1.61 4.64 -1.26 -4.79 116.55 120.38 3djc n ASP 20 Ca 0.00 0.18 -0.32 0.00 -1.38 0.00 0.00 54.79 53.27 3djc n ASP 20 Cb 0.00 1.13 -0.08 0.00 -1.04 0.00 0.00 41.12 41.13 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 -3.42 2.87 -0.32 -0.67 -1.05 -1.25 -5.05 118.70 109.81 3djc s GLU 21 Ca -0.04 -0.60 -0.27 0.00 -0.15 0.00 0.00 54.97 53.91 3djc s GLU 21 Cb 0.11 -2.73 0.01 0.00 -0.44 0.00 0.00 34.13 31.09 3djc s GLU 21 CO 0.84 0.62 0.99 0.42 0.95 0.00 0.00 175.26 179.08 3djc s ILE 22 N -1.17 4.58 -0.00 1.83 1.01 -1.26 -1.12 121.20 125.07 3djc s ILE 22 Ca 0.22 1.53 0.11 0.00 0.00 0.00 0.00 60.65 62.51 3djc s ILE 22 Cb -0.12 -4.34 -0.15 0.00 0.01 0.00 0.00 42.46 37.86 3djc s ILE 22 CO 0.13 -0.44 1.13 0.50 0.00 0.00 0.00 174.94 176.26 3djc h LYS 23 N 8.16 0.00 -1.95 2.79 3.64 -1.72 -3.48 116.57 124.01 3djc h LYS 23 Ca -0.22 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.13 3djc h LYS 23 Cb 1.07 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.69 3djc h LYS 23 CO 0.99 0.70 0.20 -1.17 -2.27 0.00 0.00 179.45 177.90 3djc s LEU 24 N -6.41 -0.67 0.05 5.20 2.96 -1.24 -5.03 118.68 113.54 3djc s LEU 24 Ca -0.00 1.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.95 3djc s LEU 24 Cb 0.09 2.43 -0.02 0.00 0.50 0.00 0.00 46.19 49.18 3djc s LEU 24 CO 0.80 -0.41 -0.09 0.00 -1.32 0.00 0.00 176.35 175.33 3djc s ARG 25 N -0.43 0.59 0.15 1.98 3.03 -1.26 -1.17 118.95 121.83 3djc s ARG 25 Ca -0.05 -0.79 -0.05 0.00 2.03 0.00 0.00 55.73 56.87 3djc s ARG 25 Cb -0.02 -0.41 -0.02 0.00 -1.03 0.00 0.00 34.95 33.47 3djc s ARG 25 CO 0.05 0.08 0.18 -0.59 -1.13 0.00 0.00 175.30 173.88 3djc s PHE 26 N -1.33 0.64 -0.00 5.89 -0.71 -0.16 -4.98 117.98 117.33 3djc s PHE 26 Ca -0.08 -1.00 0.00 0.00 -1.04 0.00 0.00 56.93 54.81 3djc s PHE 26 Cb -0.10 -0.27 0.00 0.00 -1.21 0.00 0.00 43.02 41.45 3djc s PHE 26 CO 0.01 -0.63 0.00 0.50 -1.34 0.00 0.00 175.22 173.76 3djc s ARG 27 N -4.01 0.03 0.05 1.99 3.52 -1.26 -0.95 118.95 118.31 3djc s ARG 27 Ca 0.21 0.02 0.03 0.00 -0.13 0.00 0.00 55.73 55.86 3djc s ARG 27 Cb 0.05 -0.07 -0.02 0.00 -1.56 0.00 0.00 34.95 33.35 3djc s ARG 27 CO 0.01 -0.02 -0.10 -1.58 -0.81 0.00 0.00 175.30 172.80 3djc s HIS 28 N 0.17 0.85 0.16 5.12 5.65 0.13 -5.00 115.29 122.38 3djc s HIS 28 Ca -0.01 -0.47 -0.31 0.00 0.25 0.00 0.00 55.06 54.51 3djc s HIS 28 Cb -0.02 -0.50 -0.10 0.00 -1.18 0.00 0.00 32.58 30.78 3djc s HIS 28 CO -0.00 -0.03 1.53 0.99 -0.65 0.00 0.00 174.74 176.57 3djc s THR 29 N -1.29 2.75 -0.96 0.89 2.01 -1.26 0.11 115.64 117.89 3djc s THR 29 Ca -0.07 0.54 -0.24 0.00 0.31 0.00 0.00 61.69 62.24 3djc s THR 29 Cb -0.10 -3.35 -0.02 0.00 0.01 0.00 0.00 72.50 69.04 3djc s THR 29 CO 0.01 0.04 1.81 -0.44 -0.69 0.00 0.00 174.62 175.35 3djc s SER 30 N 1.09 5.54 0.13 3.53 0.01 -1.04 -4.58 113.70 118.38 3djc s SER 30 Ca 0.68 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.96 3djc s SER 30 Cb -0.42 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.20 3djc s SER 30 CO 0.32 -2.40 0.01 -1.59 0.41 0.00 0.00 173.24 169.98 3djc s LYS 31 N 6.37 0.95 -0.46 12.44 -2.85 -1.26 -4.96 119.74 129.96 3djc s LYS 31 Ca 0.63 -1.44 -0.27 0.00 -1.00 0.00 0.00 55.97 53.89 3djc s LYS 31 Cb -0.04 -0.03 -0.03 0.00 -2.06 0.00 0.00 37.83 35.67 3djc s LYS 31 CO -0.02 -0.16 1.91 0.54 0.10 0.00 0.00 175.35 177.73 3djc s VAL 32 N -3.81 3.35 0.13 1.79 0.11 -1.26 -4.95 120.40 115.76 3djc s VAL 32 Ca 0.20 0.29 0.06 0.00 -2.93 0.00 0.00 61.98 59.61 3djc s VAL 32 Cb 0.07 -3.67 -0.04 0.00 -1.53 0.00 0.00 36.38 31.21 3djc s VAL 32 CO 0.00 -0.56 -0.15 -0.44 -3.33 0.00 0.00 175.10 170.63 3djc s SER 33 N 7.74 2.10 0.71 3.54 0.01 -1.26 -5.16 113.70 121.37 3djc s SER 33 Ca 0.77 -0.82 -0.05 0.00 1.31 0.00 0.00 55.95 57.16 3djc s SER 33 Cb -0.18 -0.08 0.09 0.00 0.21 0.00 0.00 66.02 66.06 3djc s SER 33 CO 0.27 -0.13 1.00 0.42 0.41 0.00 0.00 173.24 175.22 3djc s THR 34 N -2.14 2.28 0.45 1.44 -4.23 -1.26 -4.84 115.64 107.34 3djc s THR 34 Ca 0.10 -0.38 0.17 0.00 -1.18 0.00 0.00 61.69 60.41 3djc s THR 34 Cb -0.05 -2.90 0.21 0.00 1.34 0.00 0.00 72.50 71.09 3djc s THR 34 CO 0.03 0.00 2.02 0.77 -0.54 0.00 0.00 174.62 176.90 3djc h SER 35 N -0.59 0.00 -0.02 3.99 4.64 -1.95 -1.64 113.55 117.98 3djc h SER 35 Ca -0.42 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.73 3djc h SER 35 Cb 1.29 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.40 3djc h SER 35 CO 0.52 0.17 -0.66 0.44 -0.87 0.00 0.00 176.83 176.43 3djc h ASP 36 N 0.00 0.62 -0.63 4.97 3.32 -1.94 0.14 116.42 122.89 3djc h ASP 36 Ca -0.00 -0.73 -0.02 0.00 0.02 0.00 0.00 57.03 56.29 3djc h ASP 36 Cb 0.31 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3djc h ASP 36 CO 0.02 1.27 0.31 -0.33 -1.72 0.00 0.00 179.24 178.79 3djc h GLU 37 N 0.03 0.90 -0.07 3.56 5.08 -1.91 -1.64 114.58 120.53 3djc h GLU 37 Ca -0.08 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 3djc h GLU 37 Cb 1.35 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 3djc h GLU 37 CO 0.13 0.72 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.75 3djc h LEU 38 N 0.87 0.16 -1.23 1.33 3.38 -1.34 -2.64 115.31 115.84 3djc h LEU 38 Ca 0.22 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 3djc h LEU 38 Cb 0.10 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3djc h LEU 38 CO -0.03 0.56 -0.37 1.23 0.09 0.00 0.00 178.44 179.92 3djc h GLY 39 N -0.25 0.03 0.75 0.83 0.00 -0.93 0.69 103.07 104.19 3djc h GLY 39 Ca 0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 3djc h GLY 39 CO 0.01 0.02 -0.13 -2.22 0.00 0.00 0.00 176.54 174.22 3djc h ILE 40 N 0.02 1.34 -0.56 2.60 2.04 -1.38 -2.11 117.51 119.47 3djc h ILE 40 Ca -0.00 -1.26 0.01 0.00 1.00 0.00 0.00 64.86 64.60 3djc h ILE 40 Cb 0.67 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 3djc h ILE 40 CO 0.05 0.37 0.37 0.15 0.00 0.00 0.00 178.15 179.09 3djc h PHE 41 N -0.00 0.70 -0.51 1.37 3.57 -1.13 -0.47 116.94 120.46 3djc h PHE 41 Ca 0.03 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 3djc h PHE 41 Cb 0.65 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 3djc h PHE 41 CO 0.08 0.44 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.41 3djc h LEU 42 N 0.75 0.98 -0.23 0.59 3.38 -0.92 0.20 115.31 120.06 3djc h LEU 42 Ca 0.20 -0.36 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 3djc h LEU 42 Cb -0.08 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.40 3djc h LEU 42 CO -0.05 1.11 -0.25 0.11 0.09 0.00 0.00 178.44 179.46 3djc h LYS 43 N 0.84 0.57 0.00 1.13 1.57 -1.31 -3.19 116.57 116.17 3djc h LYS 43 Ca 0.13 -0.31 -0.10 0.00 -1.87 0.00 0.00 60.65 58.50 3djc h LYS 43 Cb 0.67 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 3djc h LYS 43 CO 0.05 0.90 -0.50 0.77 -0.57 0.00 0.00 179.45 180.10 3djc h SER 44 N 0.26 0.00 0.65 0.86 0.02 -1.02 -2.93 113.55 111.40 3djc h SER 44 Ca 0.03 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.87 3djc h SER 44 Cb 0.81 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 3djc h SER 44 CO 0.06 0.50 -0.53 1.62 -1.14 0.00 0.00 176.83 177.34 3djc h VAL 45 N 0.00 1.28 0.20 2.27 3.04 -0.66 -2.42 116.25 119.96 3djc h VAL 45 Ca -0.00 -1.88 -0.30 0.00 -1.01 0.00 0.00 66.70 63.51 3djc h VAL 45 Cb 0.98 2.04 0.03 0.00 -2.01 0.00 0.00 31.29 32.34 3djc h VAL 45 CO 0.06 0.52 -1.31 -0.07 -1.01 0.00 0.00 177.57 175.76 3djc h LEU 46 N 0.00 0.81 -0.66 3.16 3.38 -1.53 -3.32 115.31 117.15 3djc h LEU 46 Ca -0.01 -0.89 -0.14 0.00 0.09 0.00 0.00 57.88 56.93 3djc h LEU 46 Cb 1.00 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3djc h LEU 46 CO 0.07 1.64 -0.67 -0.09 0.09 0.00 0.00 178.44 179.48 3djc h ARG 47 N 0.11 0.00 -0.10 1.13 2.43 -1.37 -1.17 114.38 115.41 3djc h ARG 47 Ca -0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3djc h ARG 47 Cb 2.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.56 3djc h ARG 47 CO 0.25 0.67 0.00 0.39 -1.51 0.00 0.00 179.97 179.76 3djc n GLU 48 N -3.73 1.36 -1.81 0.20 -0.58 -0.91 -3.39 120.64 111.77 3djc n GLU 48 Ca -0.01 -0.54 -0.04 0.00 -0.42 0.00 0.00 57.16 56.14 3djc n GLU 48 Cb 0.66 -1.30 0.07 0.00 -0.57 0.00 0.00 31.44 30.30 3djc n GLU 48 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3djc n ASN 49 N -0.21 2.40 -3.65 1.62 3.02 -1.07 -5.03 115.26 112.35 3djc n ASN 49 Ca 0.13 -2.91 -0.29 0.00 -0.03 0.00 0.00 54.58 51.48 3djc n ASN 49 Cb 0.18 -0.41 0.03 0.00 -0.61 0.00 0.00 39.78 38.98 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 -0.50 -5.48 -3.31 6.41 5.03 -1.20 -5.02 115.26 111.20 3djc n ASN 50 Ca 0.20 -0.94 -0.07 0.00 0.87 0.00 0.00 54.58 54.64 3djc n ASN 50 Cb 0.90 -3.30 -0.06 0.00 -1.02 0.00 0.00 39.78 36.30 3djc n ASN 50 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3djc s SER 52 N 2.59 6.65 0.67 0.00 0.15 -1.26 -2.88 113.70 119.62 3djc s SER 52 Ca 0.13 2.46 0.44 0.00 0.70 0.00 0.00 55.95 59.68 3djc s SER 52 Cb -0.15 -2.57 2.41 0.00 -1.71 0.00 0.00 66.02 64.00 3djc s SER 52 CO -0.20 -0.83 2.36 -0.65 1.20 0.00 0.00 173.24 175.11 3djc h PRO 53 N 7.79 0.00 0.00 5.44 0.11 -1.90 -0.46 132.00 142.98 3djc h PRO 53 Ca -0.42 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.62 3djc h PRO 53 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3djc h PRO 53 CO 0.92 0.00 -0.33 0.93 -0.21 0.00 0.00 178.00 179.31 3djc h GLU 54 N 0.00 0.00 0.00 1.05 3.07 -1.96 -3.18 114.58 113.56 3djc h GLU 54 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3djc h GLU 54 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3djc h GLU 54 CO -0.00 0.33 0.00 0.25 -1.40 0.00 0.00 179.01 178.19 3djc n THR 55 N -3.34 0.62 -2.54 1.13 -2.24 -0.18 -4.71 114.28 103.02 3djc n THR 55 Ca 0.01 0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 3djc n THR 55 Cb 0.55 -0.82 -0.02 0.00 -2.10 0.00 0.00 70.33 67.93 3djc n THR 55 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3djc s ILE 56 N -3.12 4.48 -0.04 2.28 -1.09 -1.20 -4.06 121.20 118.45 3djc s ILE 56 Ca 0.09 1.78 0.12 0.00 -2.23 0.00 0.00 60.65 60.41 3djc s ILE 56 Cb 0.12 -4.15 -0.19 0.00 -1.58 0.00 0.00 42.46 36.67 3djc s ILE 56 CO 0.45 -0.11 0.23 -1.14 -1.23 0.00 0.00 174.94 173.14 3djc n ARG 57 N 6.11 0.71 -4.28 2.79 3.00 -0.64 -4.99 116.66 119.35 3djc n ARG 57 Ca 0.12 -0.10 -0.18 0.00 -0.00 0.00 0.00 57.85 57.69 3djc n ARG 57 Cb 0.46 -1.30 -0.13 0.00 0.00 0.00 0.00 32.46 31.49 3djc n ARG 57 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3djc s LYS 58 N -2.77 0.81 -0.12 -0.14 1.02 -1.02 -4.99 119.74 112.53 3djc s LYS 58 Ca -0.05 -0.71 -0.01 0.00 0.02 0.00 0.00 55.97 55.23 3djc s LYS 58 Cb 0.07 -0.77 0.03 0.00 -0.52 0.00 0.00 37.83 36.64 3djc s LYS 58 CO 0.52 0.19 -0.07 0.42 -0.92 0.00 0.00 175.35 175.49 3djc s ILE 59 N -0.88 1.01 -0.15 2.17 1.01 -1.26 -0.57 121.20 122.52 3djc s ILE 59 Ca -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 3djc s ILE 59 Cb -0.08 -1.07 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 3djc s ILE 59 CO 0.01 0.30 -0.11 0.00 0.00 0.00 0.00 174.94 175.14 3djc s ALA 60 N 1.71 2.67 -0.02 9.38 0.00 0.07 -0.83 121.76 134.74 3djc s ALA 60 Ca 0.04 -0.96 0.07 0.00 0.00 0.00 0.00 51.96 51.11 3djc s ALA 60 Cb -0.13 -1.34 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 3djc s ALA 60 CO -0.08 0.07 -0.24 0.42 0.00 0.00 0.00 175.76 175.93 3djc s ILE 61 N 0.64 1.93 -0.03 0.00 1.01 0.14 -0.81 121.20 124.08 3djc s ILE 61 Ca -0.06 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 59.59 3djc s ILE 61 Cb -0.15 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 3djc s ILE 61 CO 0.03 0.55 -0.15 0.00 0.00 0.00 0.00 174.94 175.36 3djc s SER 63 N -0.10 -0.37 0.00 0.00 0.15 -1.26 -0.54 113.70 111.58 3djc s SER 63 Ca 0.00 0.69 0.05 0.00 0.70 0.00 0.00 55.95 57.40 3djc s SER 63 Cb -0.09 0.66 0.05 0.00 -1.71 0.00 0.00 66.02 64.93 3djc s SER 63 CO 0.01 -0.14 0.71 1.33 1.20 0.00 0.00 173.24 176.35 3djc n VAL 64 N 3.36 0.08 -3.78 4.45 0.24 -0.85 -4.46 118.33 117.37 3djc n VAL 64 Ca -0.17 -0.54 -0.36 0.00 -2.04 0.00 0.00 64.34 61.23 3djc n VAL 64 Cb 0.56 1.06 -0.12 0.00 -1.47 0.00 0.00 33.84 33.88 3djc n VAL 64 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3djc s VAL 65 N -0.50 3.36 0.09 3.34 1.01 -1.26 -4.97 120.40 121.47 3djc s VAL 65 Ca 0.07 -1.79 0.29 0.00 0.00 0.00 0.00 61.98 60.55 3djc s VAL 65 Cb 0.05 -3.17 0.33 0.00 0.00 0.00 0.00 36.38 33.58 3djc s VAL 65 CO 0.07 -0.52 1.91 -0.65 0.00 0.00 0.00 175.10 175.91 3djc h PRO 66 N 8.09 0.00 0.00 2.72 0.11 -1.97 -3.02 132.00 137.93 3djc h PRO 66 Ca -0.16 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.89 3djc h PRO 66 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3djc h PRO 66 CO 0.66 0.09 -0.24 1.96 -0.21 0.00 0.00 178.00 180.26 3djc h GLN 67 N 0.00 0.00 0.00 1.05 7.50 -2.02 -2.81 115.11 118.83 3djc h GLN 67 Ca -0.00 0.00 -0.13 0.00 0.50 0.00 0.00 58.65 59.02 3djc h GLN 67 Cb 0.63 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.14 3djc h GLN 67 CO 0.01 0.24 -0.63 0.28 -1.50 0.00 0.00 178.83 177.24 3djc h VAL 68 N 0.00 1.09 -0.51 -0.54 2.07 -1.89 -3.41 116.25 113.05 3djc h VAL 68 Ca -0.00 -2.50 0.01 0.00 0.82 0.00 0.00 66.70 65.02 3djc h VAL 68 Cb 0.92 2.51 -0.03 0.00 -1.52 0.00 0.00 31.29 33.18 3djc h VAL 68 CO 0.03 0.61 0.33 0.44 0.02 0.00 0.00 177.57 179.01 3djc h ASP 69 N 0.00 0.58 -0.24 0.57 3.32 -1.56 -1.52 116.42 117.56 3djc h ASP 69 Ca -0.01 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 3djc h ASP 69 Cb 1.46 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.87 3djc h ASP 69 CO 0.08 0.42 -0.21 0.22 -1.72 0.00 0.00 179.24 178.03 3djc h TYR 70 N 0.68 0.67 -0.21 4.55 3.20 -1.79 -2.56 116.97 121.52 3djc h TYR 70 Ca 0.19 -0.19 -0.10 0.00 3.14 0.00 0.00 58.73 61.76 3djc h TYR 70 Cb -0.07 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 3djc h TYR 70 CO -0.04 0.88 -0.32 0.66 -1.64 0.00 0.00 178.16 177.70 3djc h SER 71 N 0.27 0.43 -0.20 -2.11 4.64 -1.80 -2.38 113.55 112.41 3djc h SER 71 Ca 0.04 -0.16 -0.17 0.00 -0.47 0.00 0.00 61.79 61.04 3djc h SER 71 Cb 0.75 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3djc h SER 71 CO 0.05 0.73 -0.53 0.25 -0.87 0.00 0.00 176.83 176.46 3djc h LEU 72 N 0.36 0.81 -0.76 5.97 5.85 -1.29 -2.16 115.31 124.09 3djc h LEU 72 Ca 0.05 -0.57 -0.03 0.00 0.84 0.00 0.00 57.88 58.16 3djc h LEU 72 Cb 0.74 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3djc h LEU 72 CO 0.06 1.24 0.35 0.03 -0.34 0.00 0.00 178.44 179.78 3djc h ARG 73 N 0.42 1.11 -0.22 1.25 3.08 -1.44 -2.81 114.38 115.76 3djc h ARG 73 Ca -0.01 -0.17 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 3djc h ARG 73 Cb 1.14 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 3djc h ARG 73 CO 0.11 0.87 -0.16 1.03 -1.07 0.00 0.00 179.97 180.75 3djc h SER 74 N 1.08 0.37 0.36 7.04 0.87 -1.42 -2.54 113.55 119.31 3djc h SER 74 Ca 0.26 -0.10 -0.06 0.00 -1.23 0.00 0.00 61.79 60.66 3djc h SER 74 Cb 0.14 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3djc h SER 74 CO -0.03 0.56 -0.29 0.00 -0.53 0.00 0.00 176.83 176.53 3djc h ALA 75 N 1.48 1.41 0.24 6.23 0.00 -1.13 -2.62 119.26 124.86 3djc h ALA 75 Ca 0.06 -0.27 -0.34 0.00 0.00 0.00 0.00 54.91 54.37 3djc h ALA 75 Cb 0.50 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.28 3djc h ALA 75 CO 0.03 0.37 -1.50 0.00 0.00 0.00 0.00 179.25 178.15 3djc h VAL 77 N 0.14 1.28 0.08 0.00 2.07 -1.47 0.66 116.25 119.01 3djc h VAL 77 Ca -0.26 -1.43 -0.11 0.00 0.82 0.00 0.00 66.70 65.72 3djc h VAL 77 Cb 2.15 1.35 0.01 0.00 -1.52 0.00 0.00 31.29 33.29 3djc h VAL 77 CO 0.26 0.47 -0.47 0.50 0.02 0.00 0.00 177.57 178.34 3djc h LYS 78 N 0.59 0.18 0.00 1.57 3.64 -1.59 -3.12 116.57 117.84 3djc h LYS 78 Ca 0.07 -0.30 -0.07 0.00 -1.27 0.00 0.00 60.65 59.08 3djc h LYS 78 Cb 0.81 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 3djc h LYS 78 CO 0.07 1.14 -1.78 0.66 -2.27 0.00 0.00 179.45 177.26 3djc n TYR 79 N -4.33 0.32 0.00 1.91 4.01 -0.85 -4.44 117.16 113.77 3djc n TYR 79 Ca -0.12 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3djc n TYR 79 Cb 0.68 -0.74 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 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 -2.49 0.00 -2.95 -0.72 3.01 -0.62 -5.03 117.46 108.66 3djc n PHE 80 Ca -0.08 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.16 3djc n PHE 80 Cb 0.68 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.17 3djc n PHE 80 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3djc n SER 81 N -1.15 -5.65 -4.17 4.37 7.64 0.13 -4.98 113.62 109.82 3djc n SER 81 Ca 0.00 -0.24 -0.25 0.00 1.01 0.00 0.00 58.87 59.39 3djc n SER 81 Cb 0.00 -4.60 -0.15 0.00 -1.01 0.00 0.00 64.21 58.44 3djc n SER 81 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 3djc s ILE 82 N -3.10 1.42 -0.29 0.44 -5.25 -1.15 -4.97 121.20 108.31 3djc s ILE 82 Ca 0.26 -0.76 -0.22 0.00 -0.99 0.00 0.00 60.65 58.93 3djc s ILE 82 Cb -0.12 -1.19 -0.01 0.00 2.95 0.00 0.00 42.46 44.09 3djc s ILE 82 CO 0.32 0.40 0.74 -0.62 -1.79 0.00 0.00 174.94 173.99 3djc s ASP 83 N -0.35 6.64 0.53 4.36 2.15 -1.26 -3.25 116.67 125.49 3djc s ASP 83 Ca 0.05 0.68 -0.19 0.00 0.43 0.00 0.00 52.55 53.52 3djc s ASP 83 Cb -0.08 -2.38 -0.06 0.00 -0.30 0.00 0.00 42.92 40.10 3djc s ASP 83 CO -0.00 -0.53 1.08 -2.16 -0.17 0.00 0.00 175.17 173.39 3djc s PRO 84 N 2.79 3.50 0.06 4.34 0.04 -1.26 -4.88 135.00 139.59 3djc s PRO 84 Ca 0.30 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 3djc s PRO 84 Cb -0.15 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 3djc s PRO 84 CO 0.11 -0.70 1.06 0.12 0.04 0.00 0.00 177.00 177.63 3djc s PHE 85 N -1.96 3.61 -0.11 0.56 5.36 -0.01 -4.94 117.98 120.49 3djc s PHE 85 Ca 0.69 1.58 0.01 0.00 -0.96 0.00 0.00 56.93 58.25 3djc s PHE 85 Cb -0.20 -3.22 -0.02 0.00 -0.34 0.00 0.00 43.02 39.24 3djc s PHE 85 CO 0.26 -0.45 -0.14 -0.51 -1.46 0.00 0.00 175.22 172.92 3djc s LEU 86 N 0.69 2.66 -0.96 6.12 2.01 -1.26 0.24 118.68 128.18 3djc s LEU 86 Ca 0.53 -0.32 -0.23 0.00 0.01 0.00 0.00 54.13 54.12 3djc s LEU 86 Cb -0.25 -1.58 0.05 0.00 0.01 0.00 0.00 46.19 44.42 3djc s LEU 86 CO 0.30 0.20 1.39 -0.22 1.01 0.00 0.00 176.35 179.03 3djc s LEU 87 N 0.13 3.60 0.44 1.79 2.96 -0.45 -4.96 118.68 122.19 3djc s LEU 87 Ca -0.07 -1.34 0.04 0.00 -0.22 0.00 0.00 54.13 52.54 3djc s LEU 87 Cb -0.15 -2.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.94 3djc s LEU 87 CO 0.05 -1.52 0.02 -1.10 -1.32 0.00 0.00 176.35 172.48 3djc s GLN 88 N 4.88 2.02 0.06 1.98 -0.21 -1.26 -4.70 119.66 122.44 3djc s GLN 88 Ca 0.43 -2.21 -0.30 0.00 0.02 0.00 0.00 55.36 53.29 3djc s GLN 88 Cb -0.02 -1.47 -0.09 0.00 1.00 0.00 0.00 33.01 32.43 3djc s GLN 88 CO -0.06 -0.21 1.84 0.00 -2.12 0.00 0.00 175.29 174.74 3djc s ALA 89 N -2.85 3.67 0.00 6.09 0.00 -1.26 -2.97 121.76 124.44 3djc s ALA 89 Ca 0.23 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.51 3djc s ALA 89 Cb 0.06 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.40 3djc s ALA 89 CO 0.12 -1.35 0.00 0.41 0.00 0.00 0.00 175.76 174.93 3djc n GLY 90 N 4.30 0.68 3.90 0.00 0.00 -1.26 -5.09 105.19 107.71 3djc n GLY 90 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3djc n GLY 90 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3djc s VAL 91 N -2.00 5.00 -0.11 1.61 -7.23 -1.16 -5.03 120.40 111.49 3djc s VAL 91 Ca 0.00 0.15 -0.29 0.00 -1.81 0.00 0.00 61.98 60.03 3djc s VAL 91 Cb 0.00 -3.71 -0.04 0.00 0.56 0.00 0.00 36.38 33.19 3djc s VAL 91 CO 0.00 -0.27 1.58 -0.75 -0.31 0.00 0.00 175.10 175.35 3djc s LYS 92 N -3.39 4.09 -0.13 4.82 2.20 -1.26 -4.87 119.74 121.21 3djc s LYS 92 Ca 0.45 1.97 0.09 0.00 -0.36 0.00 0.00 55.97 58.12 3djc s LYS 92 Cb -0.11 -3.96 -0.15 0.00 -1.51 0.00 0.00 37.83 32.10 3djc s LYS 92 CO 0.28 -0.94 0.01 0.25 -0.36 0.00 0.00 175.35 174.60 3djc n THR 93 N 5.70 0.87 -0.70 3.43 -2.24 -1.26 -4.76 114.28 115.32 3djc n THR 93 Ca 0.17 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3djc n THR 93 Cb 0.44 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 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 2.31 0.71 3.50 3.38 0.00 -1.26 -4.93 105.19 108.90 3djc n GLY 94 Ca -0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 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 2.65 -0.39 0.99 0.05 -1.26 -4.95 118.68 115.76 3djc s LEU 95 Ca 0.00 -1.16 -0.15 0.00 0.05 0.00 0.00 54.13 52.87 3djc s LEU 95 Cb 0.00 -0.92 0.01 0.00 -2.05 0.00 0.00 46.19 43.23 3djc s LEU 95 CO 0.00 -0.19 0.33 0.20 -0.55 0.00 0.00 176.35 176.14 3djc s ASN 96 N -3.54 6.13 -0.33 1.48 0.01 -0.46 -4.95 114.94 113.28 3djc s ASN 96 Ca 0.31 -0.69 -0.23 0.00 -0.71 0.00 0.00 52.86 51.54 3djc s ASN 96 Cb 0.01 -2.18 0.00 0.00 0.41 0.00 0.00 41.25 39.50 3djc s ASN 96 CO 0.15 -0.43 0.77 -0.63 -1.51 0.00 0.00 177.10 175.44 3djc s ILE 97 N 1.84 4.78 -2.16 0.60 1.01 -1.26 0.59 121.20 126.60 3djc s ILE 97 Ca 0.08 1.03 0.17 0.00 0.00 0.00 0.00 60.65 61.93 3djc s ILE 97 Cb -0.18 -4.16 0.41 0.00 0.01 0.00 0.00 42.46 38.54 3djc s ILE 97 CO 0.11 -0.31 1.42 0.29 0.00 0.00 0.00 174.94 176.45 3djc n LYS 98 N 6.26 1.90 -1.81 2.79 4.01 0.71 -4.86 118.16 127.16 3djc n LYS 98 Ca 0.03 -1.38 -0.40 0.00 -0.51 0.00 0.00 58.31 56.05 3djc n LYS 98 Cb 0.48 -1.37 0.02 0.00 -0.51 0.00 0.00 35.03 33.65 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 -1.60 2.46 0.13 2.13 1.51 -1.26 -4.89 117.35 115.83 3djc s TYR 99 Ca 0.31 1.28 0.28 0.00 -1.01 0.00 0.00 57.07 57.92 3djc s TYR 99 Cb 0.16 -3.90 1.14 0.00 -0.11 0.00 0.00 41.96 39.25 3djc s TYR 99 CO 0.23 -2.90 1.91 0.00 -1.11 0.00 0.00 175.55 173.68 3djc h ARG 100 N 2.28 0.00 -3.47 -0.62 3.08 -1.99 -3.32 114.38 110.35 3djc h ARG 100 Ca -0.51 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 58.97 3djc h ARG 100 Cb 1.27 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.92 3djc h ARG 100 CO 0.61 0.12 -0.76 1.21 -1.07 0.00 0.00 179.97 180.07 3djc s ASN 101 N -5.97 3.86 0.64 7.04 2.47 -1.26 -5.02 114.94 116.70 3djc s ASN 101 Ca 0.01 -1.51 0.37 0.00 0.42 0.00 0.00 52.86 52.14 3djc s ASN 101 Cb 0.10 -0.78 2.05 0.00 -1.45 0.00 0.00 41.25 41.16 3djc s ASN 101 CO 0.59 -0.41 2.22 -0.65 -3.72 0.00 0.00 177.10 175.14 3djc h PRO 102 N 8.14 0.00 -0.30 0.43 0.11 -1.90 -1.66 132.00 136.83 3djc h PRO 102 Ca -0.15 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.90 3djc h PRO 102 Cb 1.02 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3djc h PRO 102 CO 0.45 0.00 -0.06 0.28 -0.21 0.00 0.00 178.00 178.46 3djc h VAL 103 N 0.00 1.21 0.00 3.15 2.07 -1.95 -2.99 116.25 117.73 3djc h VAL 103 Ca 0.02 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 3djc h VAL 103 Cb 0.22 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3djc h VAL 103 CO -0.00 0.29 -0.04 -0.33 0.02 0.00 0.00 177.57 177.51 3djc h GLU 104 N 0.46 0.00 -6.25 1.57 5.08 -1.74 -3.41 114.58 110.30 3djc h GLU 104 Ca 0.09 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.90 3djc h GLU 104 Cb 0.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3djc h GLU 104 CO 0.02 0.04 0.91 0.08 -1.00 0.00 0.00 179.01 179.06 3djc s VAL 105 N -4.08 3.95 0.47 3.13 1.01 -1.13 -5.01 120.40 118.75 3djc s VAL 105 Ca -0.03 1.22 -0.21 0.00 0.00 0.00 0.00 61.98 62.96 3djc s VAL 105 Cb 0.12 -3.79 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 3djc s VAL 105 CO 0.51 -0.07 1.08 -0.83 0.00 0.00 0.00 175.10 175.78 3djc s GLY 106 N 2.24 2.63 0.50 4.51 0.00 -1.26 -4.91 107.32 111.03 3djc s GLY 106 Ca 0.62 0.72 0.29 0.00 0.00 0.00 0.00 44.72 46.35 3djc s GLY 106 CO 0.22 1.09 1.84 0.00 0.00 0.00 0.00 173.10 176.25 3djc h ALA 107 N 1.79 2.75 -0.68 3.20 0.00 -1.85 -1.11 119.26 123.36 3djc h ALA 107 Ca -0.49 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 3djc h ALA 107 Cb 1.23 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3djc h ALA 107 CO 0.60 -1.06 0.12 0.38 0.00 0.00 0.00 179.25 179.28 3djc h ASP 108 N 0.11 1.07 0.59 0.00 2.03 -1.92 0.31 116.42 118.60 3djc h ASP 108 Ca 0.50 -0.25 -0.14 0.00 -0.73 0.00 0.00 57.03 56.40 3djc h ASP 108 Cb 1.77 -0.28 -0.02 0.00 -0.83 0.00 0.00 39.33 39.97 3djc h ASP 108 CO -0.07 1.05 -0.66 0.03 -1.03 0.00 0.00 179.24 178.56 3djc h ARG 109 N 1.04 0.06 -0.05 4.15 -0.00 -1.59 -1.62 114.38 116.37 3djc h ARG 109 Ca 0.21 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.98 59.48 3djc h ARG 109 Cb 0.43 0.01 0.01 0.00 0.00 0.00 0.00 29.97 30.42 3djc h ARG 109 CO 0.01 0.70 -0.58 0.82 0.00 0.00 0.00 179.97 180.92 3djc h ILE 110 N 0.04 1.39 -0.59 2.04 2.04 -1.17 -2.80 117.51 118.46 3djc h ILE 110 Ca -0.01 -1.96 -0.01 0.00 1.00 0.00 0.00 64.86 63.88 3djc h ILE 110 Cb 1.17 2.37 -0.03 0.00 -0.74 0.00 0.00 36.82 39.60 3djc h ILE 110 CO 0.09 0.58 0.32 0.00 0.00 0.00 0.00 178.15 179.14 3djc h ALA 111 N 0.41 0.75 -0.75 1.87 0.00 -0.34 -1.02 119.26 120.17 3djc h ALA 111 Ca -0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3djc h ALA 111 Cb 1.25 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3djc h ALA 111 CO 0.12 0.27 0.27 -0.91 0.00 0.00 0.00 179.25 179.00 3djc h ASN 112 N 0.79 1.06 1.04 0.00 -0.26 -1.38 -2.55 115.58 114.28 3djc h ASN 112 Ca 0.21 -0.18 -0.08 0.00 -0.56 0.00 0.00 56.30 55.68 3djc h ASN 112 Cb 0.05 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.02 3djc h ASN 112 CO -0.03 0.96 -0.40 0.00 -1.06 0.00 0.00 177.43 176.90 3djc h ALA 113 N 1.18 0.90 -0.11 -0.83 0.00 -1.34 -2.39 119.26 116.66 3djc h ALA 113 Ca 0.25 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3djc h ALA 113 Cb 0.26 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3djc h ALA 113 CO -0.01 0.50 -0.09 0.82 0.00 0.00 0.00 179.25 180.47 3djc h ILE 114 N 0.00 1.34 -0.11 0.00 2.04 -1.01 -3.12 117.51 116.65 3djc h ILE 114 Ca -0.00 -1.20 -0.19 0.00 1.00 0.00 0.00 64.86 64.47 3djc h ILE 114 Cb 1.03 1.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.99 3djc h ILE 114 CO 0.05 0.34 -0.71 0.00 0.00 0.00 0.00 178.15 177.84 3djc h ALA 115 N 0.61 0.56 -0.38 1.87 0.00 -1.50 -2.95 119.26 117.47 3djc h ALA 115 Ca 0.02 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 3djc h ALA 115 Cb 0.59 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3djc h ALA 115 CO 0.02 0.73 0.24 0.00 0.00 0.00 0.00 179.25 180.24 3djc h ALA 116 N 0.87 0.49 0.00 0.00 0.00 -1.54 -1.18 119.26 117.91 3djc h ALA 116 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3djc h ALA 116 Cb 1.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3djc h ALA 116 CO 0.13 -0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.60 3djc n THR 117 N -4.79 0.64 0.04 0.00 -2.24 -1.18 -1.15 114.28 105.60 3djc n THR 117 Ca 0.00 -0.04 -0.22 0.00 -2.27 0.00 0.00 64.05 61.51 3djc n THR 117 Cb 0.05 -0.80 -0.14 0.00 -2.10 0.00 0.00 70.33 67.33 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 0.61 -0.03 4.78 6.17 -1.31 -3.19 115.15 122.18 3djc h HIS 118 Ca 0.00 -0.44 -0.21 0.00 0.71 0.00 0.00 60.37 60.42 3djc h HIS 118 Cb 0.55 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 30.46 3djc h HIS 118 CO 0.00 1.73 -0.87 0.77 0.71 0.00 0.00 177.93 180.27 3djc h SER 119 N 0.09 0.55 -2.31 3.26 0.02 -1.12 -3.38 113.55 110.65 3djc h SER 119 Ca -0.38 -0.41 -0.59 0.00 -0.84 0.00 0.00 61.79 59.57 3djc h SER 119 Cb 2.07 -0.16 -0.40 0.00 0.14 0.00 0.00 62.40 64.04 3djc h SER 119 CO 0.13 1.19 -0.89 0.49 -1.14 0.00 0.00 176.83 176.61 3djc n PHE 120 N -3.78 0.71 0.00 3.45 3.72 -0.30 -5.08 117.46 116.18 3djc n PHE 120 Ca -0.06 -3.70 0.00 0.00 -0.05 0.00 0.00 57.45 53.64 3djc n PHE 120 Cb 0.79 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 3djc n PHE 120 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3djc n PRO 121 N 1.84 0.00 -1.74 -1.08 -0.02 -1.20 -3.65 135.00 129.16 3djc n PRO 121 Ca 0.25 0.30 -0.37 0.00 -2.02 0.00 0.00 63.50 61.66 3djc n PRO 121 Cb 0.47 -0.98 -0.02 0.00 -0.02 0.00 0.00 33.50 32.95 3djc n PRO 121 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3djc n ASN 122 N -0.78 7.98 -4.09 2.55 5.03 -1.26 -4.83 115.26 119.85 3djc n ASN 122 Ca 0.00 -2.98 -0.13 0.00 0.87 0.00 0.00 54.58 52.33 3djc n ASN 122 Cb 0.00 -1.40 -0.11 0.00 -1.02 0.00 0.00 39.78 37.25 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 -0.31 0.62 -0.28 3.52 -0.21 -1.24 -4.87 119.66 116.88 3djc s GLN 123 Ca 0.59 -0.88 -0.27 0.00 0.02 0.00 0.00 55.36 54.82 3djc s GLN 123 Cb 0.21 -0.35 0.01 0.00 1.00 0.00 0.00 33.01 33.88 3djc s GLN 123 CO -0.10 0.06 0.95 -0.80 -2.12 0.00 0.00 175.29 173.28 3djc s ASN 124 N -1.85 6.87 -0.18 5.90 0.01 -1.26 -3.16 114.94 121.28 3djc s ASN 124 Ca -0.05 1.01 -0.01 0.00 -0.71 0.00 0.00 52.86 53.10 3djc s ASN 124 Cb -0.07 -2.49 0.00 0.00 0.41 0.00 0.00 41.25 39.10 3djc s ASN 124 CO -0.00 -0.70 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.12 3djc s ILE 125 N 3.23 2.70 -0.21 0.60 1.01 0.13 -0.78 121.20 127.88 3djc s ILE 125 Ca 0.40 -0.74 -0.15 0.00 0.00 0.00 0.00 60.65 60.16 3djc s ILE 125 Cb -0.14 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 3djc s ILE 125 CO 0.11 0.50 0.34 -0.63 0.00 0.00 0.00 174.94 175.26 3djc s ILE 126 N 1.09 5.24 -0.19 2.92 1.01 -0.45 -0.41 121.20 130.41 3djc s ILE 126 Ca 0.00 0.58 -0.03 0.00 0.00 0.00 0.00 60.65 61.20 3djc s ILE 126 Cb -0.14 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 3djc s ILE 126 CO -0.04 0.27 -0.05 0.54 0.00 0.00 0.00 174.94 175.66 3djc s VAL 127 N 1.26 3.49 -0.24 2.92 0.11 -0.57 -1.48 120.40 125.88 3djc s VAL 127 Ca 0.16 -0.47 -0.08 0.00 -2.93 0.00 0.00 61.98 58.66 3djc s VAL 127 Cb -0.14 -2.55 -0.03 0.00 -1.53 0.00 0.00 36.38 32.12 3djc s VAL 127 CO 0.07 0.46 0.09 -0.63 -3.33 0.00 0.00 175.10 171.76 3djc s ILE 128 N 0.99 4.55 -0.29 7.04 1.01 -0.66 -1.14 121.20 132.69 3djc s ILE 128 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 3djc s ILE 128 Cb -0.15 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.19 3djc s ILE 128 CO 0.00 0.34 0.12 -0.62 0.00 0.00 0.00 174.94 174.78 3djc s ASP 129 N 1.46 5.37 -1.28 3.58 3.68 -0.84 -1.44 116.67 127.20 3djc s ASP 129 Ca 0.06 -0.47 -0.07 0.00 2.13 0.00 0.00 52.55 54.20 3djc s ASP 129 Cb -0.15 -1.96 0.16 0.00 -1.45 0.00 0.00 42.92 39.52 3djc s ASP 129 CO 0.05 -0.15 2.09 0.49 0.13 0.00 0.00 175.17 177.78 3djc n PHE 130 N 4.95 2.71 -0.30 -5.34 3.01 -0.69 -1.51 117.46 120.29 3djc n PHE 130 Ca -0.15 -2.78 0.00 0.00 1.01 0.00 0.00 57.45 55.53 3djc n PHE 130 Cb 0.50 -1.82 0.00 0.00 -0.01 0.00 0.00 39.48 38.14 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 2.09 1.73 0.25 1.37 0.00 -1.26 -2.57 105.19 106.80 3djc n GLY 131 Ca 0.50 -1.73 0.13 0.00 0.00 0.00 0.00 46.02 44.91 3djc n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djc h THR 132 N 0.00 0.46 -4.25 2.61 1.03 -1.97 -3.41 112.91 107.38 3djc h THR 132 Ca 0.00 -0.77 -0.60 0.00 -0.01 0.00 0.00 66.41 65.03 3djc h THR 132 Cb 0.00 1.54 -0.27 0.00 -1.07 0.00 0.00 68.15 68.35 3djc h THR 132 CO 0.00 0.14 -0.85 0.00 -0.01 0.00 0.00 175.52 174.80 3djc s ALA 133 N -3.88 1.80 -0.46 0.00 0.00 -1.26 -1.85 121.76 116.11 3djc s ALA 133 Ca -0.01 -1.04 -0.24 0.00 0.00 0.00 0.00 51.96 50.67 3djc s ALA 133 Cb 0.11 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.88 3djc s ALA 133 CO 0.59 0.41 0.85 0.99 0.00 0.00 0.00 175.76 178.61 3djc s THR 134 N -0.72 4.56 0.05 0.00 2.01 0.11 -4.49 115.64 117.15 3djc s THR 134 Ca 0.08 0.54 0.04 0.00 0.31 0.00 0.00 61.69 62.66 3djc s THR 134 Cb -0.09 -4.38 -0.04 0.00 0.01 0.00 0.00 72.50 68.00 3djc s THR 134 CO 0.01 -0.79 -0.03 0.42 -0.69 0.00 0.00 174.62 173.54 3djc s THR 135 N 3.52 3.90 -0.17 -0.82 -4.23 -0.57 -1.36 115.64 115.92 3djc s THR 135 Ca 0.33 -0.86 -0.00 0.00 -1.18 0.00 0.00 61.69 59.98 3djc s THR 135 Cb -0.11 -2.78 0.04 0.00 1.34 0.00 0.00 72.50 70.98 3djc s THR 135 CO 0.24 0.25 -0.07 -0.36 -0.54 0.00 0.00 174.62 174.15 3djc s PHE 136 N -1.16 1.85 -0.17 3.99 0.40 -0.16 -1.98 117.98 120.74 3djc s PHE 136 Ca 0.22 -1.17 0.01 0.00 -0.60 0.00 0.00 56.93 55.38 3djc s PHE 136 Cb -0.11 -1.39 0.03 0.00 0.51 0.00 0.00 43.02 42.06 3djc s PHE 136 CO 0.13 -0.64 -0.15 0.00 0.70 0.00 0.00 175.22 175.26 3djc s ALA 138 N 1.40 3.59 -0.04 0.00 0.00 -1.01 -1.51 121.76 124.19 3djc s ALA 138 Ca 0.04 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.50 3djc s ALA 138 Cb -0.14 -2.98 -0.00 0.00 0.00 0.00 0.00 23.12 20.00 3djc s ALA 138 CO -0.11 -0.82 -0.16 0.42 0.00 0.00 0.00 175.76 175.09 3djc s ILE 139 N 2.44 1.34 0.31 0.00 1.01 0.45 -1.31 121.20 125.43 3djc s ILE 139 Ca 0.24 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.28 3djc s ILE 139 Cb -0.15 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 3djc s ILE 139 CO 0.09 0.39 0.44 -0.94 0.00 0.00 0.00 174.94 174.92 3djc s SER 140 N 0.06 6.09 0.06 3.58 1.04 -0.87 0.19 113.70 123.86 3djc s SER 140 Ca -0.04 -0.07 0.07 0.00 0.48 0.00 0.00 55.95 56.38 3djc s SER 140 Cb -0.11 -1.47 0.32 0.00 0.10 0.00 0.00 66.02 64.86 3djc s SER 140 CO 0.02 -0.32 1.20 0.00 0.98 0.00 0.00 173.24 175.13 3djc n HIS 141 N -1.58 0.14 0.35 5.02 1.44 -1.19 -0.51 115.22 118.90 3djc n HIS 141 Ca -0.03 0.07 0.05 0.00 -2.01 0.00 0.00 57.72 55.80 3djc n HIS 141 Cb 0.58 -0.61 0.20 0.00 0.12 0.00 0.00 29.99 30.28 3djc n HIS 141 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3djc n LYS 142 N -1.64 2.51 -3.51 -1.40 5.02 -1.26 -4.54 118.16 113.34 3djc n LYS 142 Ca 0.00 -1.61 -0.20 0.00 -2.02 0.00 0.00 58.31 54.49 3djc n LYS 142 Cb 0.04 -1.59 0.06 0.00 -0.02 0.00 0.00 35.03 33.52 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 0.55 -4.42 -4.07 1.97 5.02 0.34 -4.81 118.16 112.73 3djc n LYS 143 Ca 0.15 0.73 -0.33 0.00 -2.02 0.00 0.00 58.31 56.84 3djc n LYS 143 Cb 0.54 -5.43 -0.15 0.00 -0.02 0.00 0.00 35.03 29.97 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 -3.49 2.48 -0.89 7.82 0.00 -1.19 -1.35 121.76 125.14 3djc s ALA 144 Ca 0.16 -1.39 -0.25 0.00 0.00 0.00 0.00 51.96 50.48 3djc s ALA 144 Cb -0.03 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.70 3djc s ALA 144 CO 0.77 -0.64 1.63 -0.47 0.00 0.00 0.00 175.76 177.05 3djc s TYR 145 N 1.26 2.16 -0.41 0.00 5.04 0.20 -2.05 117.35 123.54 3djc s TYR 145 Ca 0.01 -0.05 0.26 0.00 -2.44 0.00 0.00 57.07 54.85 3djc s TYR 145 Cb -0.15 -4.41 0.86 0.00 0.35 0.00 0.00 41.96 38.61 3djc s TYR 145 CO -0.09 -1.95 1.77 -0.07 -1.34 0.00 0.00 175.55 173.87 3djc h LEU 146 N 14.89 0.00 0.00 6.97 3.38 -1.45 0.20 115.31 139.30 3djc h LEU 146 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3djc h LEU 146 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3djc h LEU 146 CO 1.31 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.45 3djc n GLY 147 N 0.66 0.49 0.00 0.83 0.00 -1.25 -4.71 105.19 101.21 3djc n GLY 147 Ca 0.03 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.57 3.49 -0.02 0.00 -1.26 -2.41 105.19 104.42 3djc n GLY 148 Ca 0.00 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 3djc n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djc s ALA 149 N -1.00 2.70 -0.04 4.61 0.00 -0.12 -4.98 121.76 122.92 3djc s ALA 149 Ca 0.00 -1.49 0.03 0.00 0.00 0.00 0.00 51.96 50.50 3djc s ALA 149 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.57 3djc s ALA 149 CO 0.00 0.50 -0.12 0.42 0.00 0.00 0.00 175.76 176.55 3djc s ILE 150 N -1.48 1.07 0.01 0.00 1.01 -1.26 -0.99 121.20 119.56 3djc s ILE 150 Ca 0.21 -0.50 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 3djc s ILE 150 Cb -0.09 -0.95 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 3djc s ILE 150 CO 0.11 0.33 0.05 -0.22 0.00 0.00 0.00 174.94 175.21 3djc s LEU 151 N 0.29 1.91 0.55 2.97 0.20 -0.46 -5.02 118.68 119.12 3djc s LEU 151 Ca -0.07 -0.30 -0.20 0.00 0.69 0.00 0.00 54.13 54.26 3djc s LEU 151 Cb -0.12 0.34 -0.05 0.00 -0.43 0.00 0.00 46.19 45.93 3djc s LEU 151 CO 0.02 -0.29 1.18 -2.16 -0.29 0.00 0.00 176.35 174.82 3djc s PRO 152 N -1.22 3.24 1.00 0.98 0.04 -1.26 0.08 135.00 137.86 3djc s PRO 152 Ca -0.13 1.77 -0.14 0.00 0.04 0.00 0.00 61.00 62.54 3djc s PRO 152 Cb -0.08 -2.05 0.19 0.00 0.04 0.00 0.00 34.50 32.60 3djc s PRO 152 CO 0.00 -0.98 1.14 0.20 0.04 0.00 0.00 177.00 177.40 3djc s GLY 153 N -1.57 1.59 0.13 0.56 0.00 -0.77 -3.94 107.32 103.32 3djc s GLY 153 Ca 0.73 -0.63 -0.13 0.00 0.00 0.00 0.00 44.72 44.69 3djc s GLY 153 CO 0.32 0.03 1.55 1.41 0.00 0.00 0.00 173.10 176.40 3djc h LEU 154 N -1.84 0.82 -0.34 0.66 4.07 -1.85 0.54 115.31 117.37 3djc h LEU 154 Ca -0.50 -0.36 -0.01 0.00 0.08 0.00 0.00 57.88 57.10 3djc h LEU 154 Cb 1.32 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.82 3djc h LEU 154 CO 0.53 0.99 0.19 -0.09 -1.08 0.00 0.00 178.44 178.98 3djc h ARG 155 N 0.65 0.47 -0.14 1.13 9.65 -1.91 -2.72 114.38 121.51 3djc h ARG 155 Ca 0.11 -0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 58.87 3djc h ARG 155 Cb 0.62 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 3djc h ARG 155 CO 0.04 0.39 -0.23 -0.07 2.80 0.00 0.00 179.97 182.90 3djc h LEU 156 N 0.43 0.24 0.06 3.80 3.38 -1.62 -1.62 115.31 119.99 3djc h LEU 156 Ca 0.12 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3djc h LEU 156 Cb 0.05 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3djc h LEU 156 CO -0.02 0.48 -0.03 0.28 0.09 0.00 0.00 178.44 179.24 3djc h SER 157 N 0.23 -0.07 -0.51 -0.43 0.02 0.07 -2.64 113.55 110.21 3djc h SER 157 Ca 0.04 -0.36 -0.06 0.00 -0.84 0.00 0.00 61.79 60.57 3djc h SER 157 Cb 0.53 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 3djc h SER 157 CO 0.04 0.33 0.10 0.00 -1.14 0.00 0.00 176.83 176.16 3djc h ALA 158 N 0.41 0.68 0.00 3.77 0.00 -1.43 -2.98 119.26 119.71 3djc h ALA 158 Ca -0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 3djc h ALA 158 Cb 0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3djc h ALA 158 CO 0.01 0.40 -0.28 -0.44 0.00 0.00 0.00 179.25 178.94 3djc h ASP 159 N 0.72 0.00 -0.06 0.00 3.45 -1.40 -2.16 116.42 116.98 3djc h ASP 159 Ca 0.16 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.55 3djc h ASP 159 Cb 0.38 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.13 3djc h ASP 159 CO 0.01 0.28 -0.14 0.00 -1.57 0.00 0.00 179.24 177.83 3djc h ALA 160 N 1.72 1.34 -0.10 3.45 0.00 -1.32 -1.65 119.26 122.69 3djc h ALA 160 Ca -0.00 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 3djc h ALA 160 Cb 0.89 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.57 3djc h ALA 160 CO 0.04 0.44 -0.62 -0.07 0.00 0.00 0.00 179.25 179.04 3djc h LEU 161 N 0.36 0.73 0.08 0.00 3.38 -1.27 -3.26 115.31 115.32 3djc h LEU 161 Ca 0.07 -0.65 -0.29 0.00 0.09 0.00 0.00 57.88 57.10 3djc h LEU 161 Cb 0.46 -0.22 0.03 0.00 0.09 0.00 0.00 40.66 41.02 3djc h LEU 161 CO 0.03 1.27 -1.17 0.77 0.09 0.00 0.00 178.44 179.42 3djc h SER 162 N 0.24 0.90 0.00 -0.43 4.64 -1.50 -3.07 113.55 114.32 3djc h SER 162 Ca -0.05 -0.79 0.00 0.00 -0.47 0.00 0.00 61.79 60.48 3djc h SER 162 Cb 1.27 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3djc h SER 162 CO 0.13 1.59 0.00 0.29 -0.87 0.00 0.00 176.83 177.97 3djc n LYS 163 N -3.82 0.99 0.00 4.77 5.02 -0.62 -3.81 118.16 120.69 3djc n LYS 163 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 3djc n LYS 163 Cb 0.95 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.86 3djc n LYS 163 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3djc n ASN 164 N -0.59 1.07 -4.80 4.39 3.02 -1.23 -5.04 115.26 112.07 3djc n ASN 164 Ca 0.04 -0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.22 3djc n ASN 164 Cb 0.02 0.22 -0.06 0.00 -0.61 0.00 0.00 39.78 39.35 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 -0.44 5.20 -1.02 3.41 2.01 -1.16 -5.11 115.64 118.53 3djc s THR 165 Ca 0.00 0.66 -0.17 0.00 0.31 0.00 0.00 61.69 62.48 3djc s THR 165 Cb 0.00 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.78 3djc s THR 165 CO 0.00 0.51 2.08 0.00 -0.69 0.00 0.00 174.62 176.52 3djc n ALA 166 N 2.49 4.29 -3.47 7.40 0.00 -1.26 -4.90 120.51 125.06 3djc n ALA 166 Ca -0.14 -3.35 -0.32 0.00 0.00 0.00 0.00 53.44 49.64 3djc n ALA 166 Cb 0.53 -3.53 -0.17 0.00 0.00 0.00 0.00 19.45 16.28 3djc n ALA 166 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3djc s SER 170 N 4.19 3.03 0.32 0.00 1.04 -1.26 -5.20 113.70 115.83 3djc s SER 170 Ca 0.53 -0.57 0.03 0.00 0.48 0.00 0.00 55.95 56.42 3djc s SER 170 Cb 0.14 -1.39 -0.02 0.00 0.10 0.00 0.00 66.02 64.84 3djc s SER 170 CO 0.03 0.11 0.49 0.54 0.98 0.00 0.00 173.24 175.39 3djc s VAL 171 N 0.62 4.84 -0.14 5.02 0.11 -1.26 -5.10 120.40 124.48 3djc s VAL 171 Ca -0.12 -0.73 -0.07 0.00 -2.93 0.00 0.00 61.98 58.13 3djc s VAL 171 Cb -0.17 -3.74 -0.04 0.00 -1.53 0.00 0.00 36.38 30.91 3djc s VAL 171 CO 0.03 -0.39 0.12 -1.61 -3.33 0.00 0.00 175.10 169.92 3djc s GLU 172 N -4.22 3.58 -1.05 1.54 2.02 -1.26 -4.97 118.70 114.35 3djc s GLU 172 Ca 0.40 -0.19 -0.22 0.00 0.02 0.00 0.00 54.97 54.97 3djc s GLU 172 Cb -0.09 -3.20 0.05 0.00 0.10 0.00 0.00 34.13 30.99 3djc s GLU 172 CO 0.33 0.64 1.48 0.42 0.02 0.00 0.00 175.26 178.15 3djc s ILE 173 N -0.62 3.95 0.23 -1.63 -1.09 -1.26 -4.97 121.20 115.81 3djc s ILE 173 Ca 0.12 -0.90 0.08 0.00 -2.23 0.00 0.00 60.65 57.73 3djc s ILE 173 Cb -0.12 -5.08 -0.04 0.00 -1.58 0.00 0.00 42.46 35.65 3djc s ILE 173 CO 0.02 -1.95 0.04 0.27 -1.23 0.00 0.00 174.94 172.09 3djc s ILE 174 N 4.88 3.75 -0.25 2.92 -0.00 -1.26 -5.08 121.20 126.16 3djc s ILE 174 Ca 0.47 -1.65 -0.29 0.00 -0.00 0.00 0.00 60.65 59.18 3djc s ILE 174 Cb 0.00 -2.97 -0.03 0.00 -0.00 0.00 0.00 42.46 39.47 3djc s ILE 174 CO -0.08 -0.29 1.75 -0.75 -0.00 0.00 0.00 174.94 175.58 3djc s LYS 175 N -3.48 3.59 0.20 0.37 2.20 -1.26 -4.85 119.74 116.51 3djc s LYS 175 Ca 0.30 1.66 -0.16 0.00 -0.36 0.00 0.00 55.97 57.41 3djc s LYS 175 Cb -0.08 -4.13 -0.08 0.00 -1.51 0.00 0.00 37.83 32.04 3djc s LYS 175 CO 0.21 -1.55 0.63 0.95 -0.36 0.00 0.00 175.35 175.23 3djc s THR 176 N 6.03 4.74 -0.13 3.43 -4.23 -1.26 -4.99 115.64 119.23 3djc s THR 176 Ca 0.78 0.99 0.20 0.00 -1.18 0.00 0.00 61.69 62.47 3djc s THR 176 Cb -0.26 -3.76 -0.30 0.00 1.34 0.00 0.00 72.50 69.53 3djc s THR 176 CO 0.32 0.16 0.48 -0.62 -0.54 0.00 0.00 174.62 174.42 3djc n GLU 177 N 0.59 0.61 -4.35 3.99 -0.58 -1.26 -4.95 120.64 114.68 3djc n GLU 177 Ca -0.03 -0.16 -0.24 0.00 -0.42 0.00 0.00 57.16 56.31 3djc n GLU 177 Cb 0.52 -1.46 -0.08 0.00 -0.57 0.00 0.00 31.44 29.84 3djc n GLU 177 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3djc s SER 178 N -4.10 4.19 -0.18 1.62 1.04 -1.26 -5.05 113.70 109.96 3djc s SER 178 Ca -0.06 -0.77 0.12 0.00 0.48 0.00 0.00 55.95 55.73 3djc s SER 178 Cb 0.13 -0.65 -0.19 0.00 0.10 0.00 0.00 66.02 65.41 3djc s SER 178 CO 0.82 0.02 0.00 1.33 0.98 0.00 0.00 173.24 176.40 3djc n VAL 179 N -0.70 1.18 -2.56 5.02 0.24 -1.26 -4.78 118.33 115.47 3djc n VAL 179 Ca -0.06 -0.67 -0.43 0.00 -2.04 0.00 0.00 64.34 61.14 3djc n VAL 179 Cb 0.59 -0.70 -0.02 0.00 -1.47 0.00 0.00 33.84 32.23 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 -2.41 4.12 -0.12 3.34 1.01 -1.26 -4.81 120.40 120.26 3djc s VAL 180 Ca -0.13 1.11 -0.17 0.00 0.00 0.00 0.00 61.98 62.79 3djc s VAL 180 Cb 0.06 -4.58 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 3djc s VAL 180 CO 0.65 -1.06 0.43 -0.83 0.00 0.00 0.00 175.10 174.29 3djc s GLY 181 N 2.79 2.35 0.00 4.51 0.00 -1.26 -4.97 107.32 110.75 3djc s GLY 181 Ca 0.49 -0.25 0.20 0.00 0.00 0.00 0.00 44.72 45.16 3djc s GLY 181 CO 0.31 0.67 1.45 0.54 0.00 0.00 0.00 173.10 176.06 3djc n ARG 182 N 3.58 2.13 -4.16 2.90 1.74 -1.26 -4.75 116.66 116.83 3djc n ARG 182 Ca -0.08 -1.72 -0.10 0.00 -0.77 0.00 0.00 57.85 55.18 3djc n ARG 182 Cb 0.52 -1.43 -0.10 0.00 -1.02 0.00 0.00 32.46 30.42 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 -1.37 0.26 0.14 0.55 0.15 -1.26 -5.03 113.70 107.14 3djc s SER 183 Ca 0.35 -1.24 -0.13 0.00 0.70 0.00 0.00 55.95 55.62 3djc s SER 183 Cb 0.19 0.32 0.01 0.00 -1.71 0.00 0.00 66.02 64.84 3djc s SER 183 CO 0.27 -0.76 1.62 0.74 1.20 0.00 0.00 173.24 176.31 3djc h THR 184 N 2.79 1.25 -0.01 6.45 2.02 -2.00 -2.49 112.91 120.93 3djc h THR 184 Ca -0.35 -0.94 -0.09 0.00 0.77 0.00 0.00 66.41 65.80 3djc h THR 184 Cb 1.21 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 3djc h THR 184 CO 0.57 0.33 -0.41 0.16 0.37 0.00 0.00 175.52 176.55 3djc h ILE 185 N 0.66 1.29 0.00 3.11 3.07 -1.99 -2.94 117.51 120.72 3djc h ILE 185 Ca 0.14 -1.41 -0.10 0.00 1.55 0.00 0.00 64.86 65.04 3djc h ILE 185 Cb 0.41 1.75 -0.01 0.00 -0.27 0.00 0.00 36.82 38.69 3djc h ILE 185 CO 0.01 0.40 -0.49 -0.08 -1.05 0.00 0.00 178.15 176.94 3djc h GLU 186 N 0.01 0.00 0.21 0.16 4.81 -1.91 -2.72 114.58 115.14 3djc h GLU 186 Ca -0.00 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.91 3djc h GLU 186 Cb 0.73 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.13 3djc h GLU 186 CO 0.05 0.49 -1.43 0.77 -0.73 0.00 0.00 179.01 178.17 3djc h SER 187 N 0.00 0.69 -0.25 1.04 0.02 -1.28 -1.40 113.55 112.37 3djc h SER 187 Ca -0.00 -0.76 -0.02 0.00 -0.84 0.00 0.00 61.79 60.17 3djc h SER 187 Cb 1.21 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 3djc h SER 187 CO 0.06 1.60 0.07 -0.29 -1.14 0.00 0.00 176.83 177.13 3djc h ILE 188 N 0.12 1.20 -0.96 3.27 2.10 -1.60 -0.07 117.51 121.57 3djc h ILE 188 Ca -0.22 -0.64 0.02 0.00 1.08 0.00 0.00 64.86 65.10 3djc h ILE 188 Cb 2.10 1.16 -0.05 0.00 -1.09 0.00 0.00 36.82 38.94 3djc h ILE 188 CO 0.25 0.21 0.63 1.56 -1.08 0.00 0.00 178.15 179.71 3djc h GLN 189 N 0.23 1.21 0.00 2.19 4.20 -1.54 0.53 115.11 121.94 3djc h GLN 189 Ca 0.08 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 3djc h GLN 189 Cb 0.25 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3djc h GLN 189 CO -0.00 0.80 -0.58 0.77 -0.67 0.00 0.00 178.83 179.16 3djc h SER 190 N 1.25 0.00 0.11 1.46 0.02 -1.23 -2.38 113.55 112.78 3djc h SER 190 Ca 0.37 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 61.12 3djc h SER 190 Cb -0.07 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.50 3djc h SER 190 CO -0.10 0.50 -0.85 1.23 -1.14 0.00 0.00 176.83 176.48 3djc h GLY 191 N 3.52 0.43 1.95 -3.77 0.00 -0.49 -2.81 103.07 101.89 3djc h GLY 191 Ca -0.02 -0.97 -0.11 0.00 0.00 0.00 0.00 47.33 46.23 3djc h GLY 191 CO 0.06 0.85 -0.52 -2.08 0.00 0.00 0.00 176.54 174.86 3djc h VAL 192 N -0.21 1.37 0.09 4.60 2.07 -0.03 -0.45 116.25 123.70 3djc h VAL 192 Ca -0.14 -1.78 -0.00 0.00 0.82 0.00 0.00 66.70 65.60 3djc h VAL 192 Cb 1.62 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 3djc h VAL 192 CO 0.16 0.51 -0.04 0.22 0.02 0.00 0.00 177.57 178.44 3djc h TYR 193 N 0.05 -0.11 0.00 1.57 3.20 -1.54 -3.25 116.97 116.88 3djc h TYR 193 Ca -0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3djc h TYR 193 Cb 0.93 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 3djc h TYR 193 CO 0.00 0.19 -0.24 1.88 -1.64 0.00 0.00 178.16 178.36 3djc h TYR 194 N -0.99 0.00 -0.25 -3.82 0.05 -1.60 -2.57 116.97 107.79 3djc h TYR 194 Ca -0.01 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 3djc h TYR 194 Cb 0.36 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 3djc h TYR 194 CO 0.07 0.24 0.14 0.78 -1.05 0.00 0.00 178.16 178.33 3djc h GLY 195 N 3.61 0.37 1.29 3.88 0.00 -1.25 -2.57 103.07 108.40 3djc h GLY 195 Ca -0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 47.33 47.03 3djc h GLY 195 CO 0.03 0.16 -0.26 -2.08 0.00 0.00 0.00 176.54 174.39 3djc h VAL 196 N 0.29 1.27 -0.30 4.60 2.07 -1.57 -1.97 116.25 120.64 3djc h VAL 196 Ca 0.09 -1.40 0.05 0.00 0.82 0.00 0.00 66.70 66.26 3djc h VAL 196 Cb 0.06 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3djc h VAL 196 CO -0.01 0.47 0.04 0.25 0.02 0.00 0.00 177.57 178.33 3djc h LEU 197 N 0.69 -0.04 -0.72 2.57 5.85 -1.43 -0.74 115.31 121.50 3djc h LEU 197 Ca 0.09 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.73 3djc h LEU 197 Cb 0.79 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3djc h LEU 197 CO 0.07 0.01 -0.54 1.23 -0.34 0.00 0.00 178.44 178.87 3djc h GLY 198 N 0.14 0.30 0.98 3.75 0.00 -1.42 -1.95 103.07 104.86 3djc h GLY 198 Ca 0.14 -0.34 0.02 0.00 0.00 0.00 0.00 47.33 47.15 3djc h GLY 198 CO -0.21 0.31 0.62 0.00 0.00 0.00 0.00 176.54 177.26 3djc h ALA 199 N 1.22 1.21 0.10 3.60 0.00 -1.07 -0.36 119.26 123.96 3djc h ALA 199 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3djc h ALA 199 Cb 1.03 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3djc h ALA 199 CO 0.09 0.57 -0.05 0.00 0.00 0.00 0.00 179.25 179.86 3djc h LYS 201 N -0.54 0.05 0.56 0.00 1.57 -1.24 0.54 116.57 117.50 3djc h LYS 201 Ca -0.01 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3djc h LYS 201 Cb 0.44 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.75 3djc h LYS 201 CO 0.02 0.03 -0.27 1.49 -0.57 0.00 0.00 179.45 180.16 3djc h GLU 202 N 0.05 -0.72 -0.44 3.15 4.57 -1.12 -1.97 114.58 118.09 3djc h GLU 202 Ca 0.23 0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.45 3djc h GLU 202 Cb 0.35 0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 3djc h GLU 202 CO -0.44 -0.46 0.25 -0.07 -1.18 0.00 0.00 179.01 177.10 3djc h LEU 203 N -0.80 0.55 -0.18 1.64 -0.00 -1.02 -0.07 115.31 115.43 3djc h LEU 203 Ca -0.08 -0.09 0.05 0.00 -0.00 0.00 0.00 57.88 57.76 3djc h LEU 203 Cb 0.59 -0.14 -0.05 0.00 -0.00 0.00 0.00 40.66 41.07 3djc h LEU 203 CO 0.13 0.48 -0.12 0.40 -0.00 0.00 0.00 178.44 179.33 3djc h ILE 204 N 0.58 0.66 -0.02 1.22 2.04 0.03 -0.74 117.51 121.27 3djc h ILE 204 Ca 0.16 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.88 3djc h ILE 204 Cb 0.05 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3djc h ILE 204 CO -0.03 0.00 -0.64 0.06 0.00 0.00 0.00 178.15 177.55 3djc h GLN 205 N -0.11 0.10 -0.08 2.37 3.07 -1.16 -2.25 115.11 117.05 3djc h GLN 205 Ca 0.11 -0.07 -0.24 0.00 0.09 0.00 0.00 58.65 58.53 3djc h GLN 205 Cb 0.27 0.01 0.02 0.00 0.08 0.00 0.00 27.48 27.86 3djc h GLN 205 CO -0.25 0.70 -0.90 0.00 0.09 0.00 0.00 178.83 178.47 3djc h ARG 206 N 0.07 0.75 -0.02 0.06 3.08 -0.90 -3.00 114.38 114.43 3djc h ARG 206 Ca -0.01 -0.70 -0.07 0.00 0.07 0.00 0.00 59.98 59.27 3djc h ARG 206 Cb 1.14 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 3djc h ARG 206 CO 0.09 1.29 -0.31 0.82 -1.07 0.00 0.00 179.97 180.79 3djc h ILE 207 N 0.46 1.23 -0.45 2.04 2.04 -1.15 -0.20 117.51 121.48 3djc h ILE 207 Ca -0.09 -1.09 -0.06 0.00 1.00 0.00 0.00 64.86 64.62 3djc h ILE 207 Cb 1.55 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 39.17 3djc h ILE 207 CO 0.18 0.31 0.03 -0.74 0.00 0.00 0.00 178.15 177.94 3djc h HIS 208 N 0.03 0.74 0.00 1.37 2.76 -1.35 -1.71 115.15 116.99 3djc h HIS 208 Ca 0.00 -0.08 -0.32 0.00 -2.20 0.00 0.00 60.37 57.77 3djc h HIS 208 Cb 0.56 -0.21 -0.06 0.00 1.55 0.00 0.00 27.41 29.25 3djc h HIS 208 CO 0.00 0.68 -2.06 0.72 -1.30 0.00 0.00 177.93 175.97 3djc n HIS 209 N -4.25 0.44 -0.02 5.26 8.25 -1.10 -0.69 115.22 123.11 3djc n HIS 209 Ca 0.03 0.16 -0.12 0.00 -0.26 0.00 0.00 57.72 57.53 3djc n HIS 209 Cb 0.26 -1.06 -0.09 0.00 1.12 0.00 0.00 29.99 30.22 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 -0.07 0.13 -0.41 5.08 -1.06 -3.05 114.58 115.19 3djc h GLU 210 Ca -0.41 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.70 3djc h GLU 210 Cb 2.08 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.35 3djc h GLU 210 CO 0.05 0.55 -1.27 0.00 -1.00 0.00 0.00 179.01 177.34 3djc h ALA 211 N -0.08 0.10 0.00 3.43 0.00 -1.53 -3.41 119.26 117.78 3djc h ALA 211 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.92 3djc h ALA 211 Cb 0.65 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3djc h ALA 211 CO 0.01 0.71 -1.04 1.19 0.00 0.00 0.00 179.25 180.12 3djc n PHE 212 N -3.97 0.00 -4.30 0.00 3.01 -1.19 -5.03 117.46 105.99 3djc n PHE 212 Ca -0.22 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 57.90 3djc n PHE 212 Cb 0.89 -0.14 -0.07 0.00 -0.01 0.00 0.00 39.48 40.15 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 -1.59 -0.65 0.00 4.37 6.94 0.13 -3.60 115.26 120.86 3djc n ASN 213 Ca 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 54.58 53.38 3djc n ASN 213 Cb 0.25 -2.05 0.00 0.00 -2.36 0.00 0.00 39.78 35.62 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 -1.91 0.43 3.95 4.83 0.00 -0.92 -4.96 105.19 106.62 3djc n GLY 214 Ca -0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 3djc n GLY 214 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3djc s ASP 215 N -2.07 4.17 -0.38 1.61 1.47 -1.24 -4.93 116.67 115.30 3djc s ASP 215 Ca 0.00 0.15 -0.28 0.00 1.18 0.00 0.00 52.55 53.60 3djc s ASP 215 Cb 0.00 -0.54 -0.07 0.00 -0.34 0.00 0.00 42.92 41.96 3djc s ASP 215 CO 0.00 -2.01 2.32 0.00 0.68 0.00 0.00 175.17 176.16 3djc n GLN 216 N -3.15 1.39 -4.37 2.11 6.02 -1.26 -4.97 117.38 113.15 3djc n GLN 216 Ca 0.12 0.26 -0.34 0.00 -0.01 0.00 0.00 57.00 57.03 3djc n GLN 216 Cb 0.60 -3.14 -0.09 0.00 1.02 0.00 0.00 30.24 28.63 3djc n GLN 216 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3djc s ILE 217 N 9.77 4.20 -0.07 5.09 -4.36 -1.26 -4.17 121.20 130.40 3djc s ILE 217 Ca 1.03 -0.38 0.02 0.00 -0.26 0.00 0.00 60.65 61.05 3djc s ILE 217 Cb -0.39 -2.79 -0.03 0.00 1.25 0.00 0.00 42.46 40.50 3djc s ILE 217 CO 0.34 0.53 -0.10 -0.22 0.24 0.00 0.00 174.94 175.73 3djc s LEU 218 N -1.09 2.98 -0.26 0.37 2.96 0.04 -5.01 118.68 118.66 3djc s LEU 218 Ca 0.15 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 3djc s LEU 218 Cb -0.11 -1.64 0.06 0.00 0.50 0.00 0.00 46.19 45.00 3djc s LEU 218 CO 0.05 0.34 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.68 3djc s ILE 219 N -0.67 2.17 -0.18 6.68 1.01 -1.26 -1.34 121.20 127.61 3djc s ILE 219 Ca 0.10 -1.68 -0.11 0.00 0.00 0.00 0.00 60.65 58.97 3djc s ILE 219 Cb -0.11 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.01 3djc s ILE 219 CO 0.01 -0.06 0.17 -0.76 0.00 0.00 0.00 174.94 174.30 3djc s LEU 220 N 1.09 4.24 -0.07 2.97 1.02 -0.55 -0.86 118.68 126.51 3djc s LEU 220 Ca -0.08 0.31 0.01 0.00 0.02 0.00 0.00 54.13 54.39 3djc s LEU 220 Cb -0.20 -2.15 -0.03 0.00 0.02 0.00 0.00 46.19 43.83 3djc s LEU 220 CO -0.05 0.19 -0.07 0.00 0.02 0.00 0.00 176.35 176.43 3djc s ALA 221 N 0.24 2.95 0.29 4.21 0.00 0.96 -1.66 121.76 128.75 3djc s ALA 221 Ca 0.10 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.21 3djc s ALA 221 Cb -0.12 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 3djc s ALA 221 CO -0.00 0.54 0.26 -0.08 0.00 0.00 0.00 175.76 176.48 3djc s THR 222 N -0.70 0.00 0.00 0.00 -1.32 -0.52 -0.56 115.64 112.54 3djc s THR 222 Ca 0.11 -1.94 0.00 0.00 -1.21 0.00 0.00 61.69 58.65 3djc s THR 222 Cb -0.11 -2.51 0.00 0.00 -1.51 0.00 0.00 72.50 68.37 3djc s THR 222 CO 0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 3djc n GLY 223 N -0.51 1.66 0.24 6.08 0.00 -1.26 -1.70 105.19 109.69 3djc n GLY 223 Ca 0.05 -1.93 -0.14 0.00 0.00 0.00 0.00 46.02 43.99 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 0.91 -1.70 -0.02 0.00 -1.85 -3.19 103.07 97.21 3djc h GLY 224 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 47.33 46.31 3djc h GLY 224 CO 0.00 0.91 0.00 0.69 0.00 0.00 0.00 176.54 178.14 3djc n PHE 225 N -4.09 0.70 -0.11 5.60 3.01 -1.16 -4.24 117.46 117.17 3djc n PHE 225 Ca -0.04 -0.27 -0.12 0.00 1.01 0.00 0.00 57.45 58.02 3djc n PHE 225 Cb 0.58 -0.15 -0.00 0.00 -0.01 0.00 0.00 39.48 39.89 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 3.24 0.61 -0.47 4.37 0.00 -1.77 -3.25 119.26 121.98 3djc h ALA 226 Ca 0.00 -0.45 0.06 0.00 0.00 0.00 0.00 54.91 54.52 3djc h ALA 226 Cb 0.82 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3djc h ALA 226 CO 0.12 0.68 0.32 0.77 0.00 0.00 0.00 179.25 181.13 3djc h SER 227 N 0.74 0.34 0.21 0.00 0.02 -1.83 -2.69 113.55 110.35 3djc h SER 227 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3djc h SER 227 Cb 0.96 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.43 3djc h SER 227 CO 0.09 0.23 0.00 0.18 -1.14 0.00 0.00 176.83 176.19 3djc n LEU 228 N -4.47 0.00 -1.35 5.07 4.77 -1.23 -2.72 117.00 117.07 3djc n LEU 228 Ca 0.06 0.40 -0.02 0.00 -0.03 0.00 0.00 56.01 56.43 3djc n LEU 228 Cb 0.26 -0.40 0.11 0.00 -2.33 0.00 0.00 43.42 41.05 3djc n LEU 228 CO 0.35 -0.30 0.21 0.49 -1.33 0.00 0.00 177.39 176.81 3djc n PHE 229 N -1.40 0.73 0.06 -1.77 3.72 -1.01 -4.86 117.46 112.92 3djc n PHE 229 Ca 0.03 -1.50 -0.19 0.00 -0.05 0.00 0.00 57.45 55.74 3djc n PHE 229 Cb 0.08 -0.24 -0.14 0.00 -0.94 0.00 0.00 39.48 38.23 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 1.43 0.47 1.10 4.37 -0.00 -1.67 -3.37 116.42 118.76 3djc h ASP 230 Ca 0.01 -0.72 -0.06 0.00 -0.00 0.00 0.00 57.03 56.27 3djc h ASP 230 Cb 1.35 -0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 40.52 3djc h ASP 230 CO 0.20 1.61 -0.27 0.50 -0.00 0.00 0.00 179.24 181.29 3djc h LYS 231 N 0.08 0.00 0.00 0.28 3.64 -1.89 -3.29 116.57 115.40 3djc h LYS 231 Ca -0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 3djc h LYS 231 Cb 2.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.88 3djc h LYS 231 CO 0.16 0.27 0.00 1.04 -2.27 0.00 0.00 179.45 178.64 3djc n GLN 232 N -3.34 0.18 -2.85 1.90 3.00 -1.26 -4.90 117.38 110.12 3djc n GLN 232 Ca 0.01 0.33 -0.09 0.00 -0.01 0.00 0.00 57.00 57.24 3djc n GLN 232 Cb 0.50 -1.80 0.04 0.00 0.00 0.00 0.00 30.24 28.97 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 0.40 0.23 0.10 1.08 0.00 -1.24 -4.96 105.19 100.80 3djc n GLY 233 Ca 0.03 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.05 0.28 -8.98 0.99 5.85 -1.83 -3.48 115.31 107.09 3djc h LEU 234 Ca -0.25 -0.38 -0.41 0.00 0.84 0.00 0.00 57.88 57.68 3djc h LEU 234 Cb 1.16 -0.09 -0.14 0.00 0.37 0.00 0.00 40.66 41.96 3djc h LEU 234 CO 0.23 1.31 -0.56 -0.72 -0.34 0.00 0.00 178.44 178.36 3djc s TYR 235 N -2.63 1.60 -0.25 1.25 1.13 -1.26 -5.00 117.35 112.19 3djc s TYR 235 Ca -0.07 -1.34 -0.07 0.00 -1.41 0.00 0.00 57.07 54.19 3djc s TYR 235 Cb 0.08 -0.88 -0.16 0.00 -1.10 0.00 0.00 41.96 39.90 3djc s TYR 235 CO 0.84 -0.49 -0.19 -0.25 -2.51 0.00 0.00 175.55 172.96 3djc n ASP 236 N -0.88 1.98 -4.01 -0.18 8.00 -0.04 -4.99 116.55 116.42 3djc n ASP 236 Ca 0.01 0.12 -0.21 0.00 0.71 0.00 0.00 54.79 55.42 3djc n ASP 236 Cb 0.65 -0.65 -0.15 0.00 -0.02 0.00 0.00 41.12 40.95 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 -2.51 1.00 -0.46 1.24 3.76 -1.03 -5.04 115.29 112.25 3djc s HIS 237 Ca -0.35 -0.25 -0.14 0.00 -0.15 0.00 0.00 55.06 54.17 3djc s HIS 237 Cb 0.11 -0.71 0.07 0.00 1.11 0.00 0.00 32.58 33.16 3djc s HIS 237 CO 0.58 -0.10 0.37 -1.17 -0.85 0.00 0.00 174.74 173.56 3djc s LEU 238 N 0.18 5.54 -0.53 0.89 0.20 -1.26 -0.02 118.68 123.66 3djc s LEU 238 Ca -0.03 -1.36 -0.05 0.00 0.69 0.00 0.00 54.13 53.37 3djc s LEU 238 Cb -0.09 -2.15 0.14 0.00 -0.43 0.00 0.00 46.19 43.67 3djc s LEU 238 CO 0.01 -0.63 0.37 -0.69 -0.29 0.00 0.00 176.35 175.12 3djc s VAL 239 N 1.60 3.86 -0.09 1.68 1.01 0.28 -4.95 120.40 123.79 3djc s VAL 239 Ca 0.04 -2.34 0.29 0.00 0.00 0.00 0.00 61.98 59.97 3djc s VAL 239 Cb -0.24 -3.55 0.36 0.00 0.00 0.00 0.00 36.38 32.96 3djc s VAL 239 CO 0.06 -0.81 1.84 -0.65 0.00 0.00 0.00 175.10 175.54 3djc h PRO 240 N 7.77 0.00 -0.42 2.72 0.11 -1.94 -3.15 132.00 137.10 3djc h PRO 240 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3djc h PRO 240 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3djc h PRO 240 CO 0.75 0.01 0.00 -0.25 -0.21 0.00 0.00 178.00 178.31 3djc n ASP 241 N -3.11 4.47 -0.19 -2.05 10.43 -1.26 -4.64 116.55 120.20 3djc n ASP 241 Ca 0.02 -2.81 0.12 0.00 2.57 0.00 0.00 54.79 54.69 3djc n ASP 241 Cb 0.40 -0.56 0.43 0.00 1.84 0.00 0.00 41.12 43.23 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 2.80 0.53 -0.20 0.64 5.85 -1.93 -1.96 115.31 121.03 3djc h LEU 242 Ca 0.00 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 3djc h LEU 242 Cb 1.53 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.48 3djc h LEU 242 CO 0.28 0.29 -0.36 1.62 -0.34 0.00 0.00 178.44 179.94 3djc h VAL 243 N 0.57 1.33 -0.57 1.05 3.04 -1.86 -2.90 116.25 116.91 3djc h VAL 243 Ca 0.37 -1.58 0.02 0.00 -1.01 0.00 0.00 66.70 64.50 3djc h VAL 243 Cb 0.63 1.85 -0.04 0.00 -2.01 0.00 0.00 31.29 31.72 3djc h VAL 243 CO -0.13 0.49 0.35 -0.07 -1.01 0.00 0.00 177.57 177.20 3djc h LEU 244 N 0.27 0.58 -1.35 3.16 3.38 -1.74 -2.38 115.31 117.24 3djc h LEU 244 Ca 0.01 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3djc h LEU 244 Cb 0.95 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 3djc h LEU 244 CO 0.08 0.41 0.43 1.56 0.09 0.00 0.00 178.44 181.01 3djc h GLN 245 N 0.70 0.86 -0.47 1.13 4.20 -1.49 -2.25 115.11 117.79 3djc h GLN 245 Ca 0.23 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 3djc h GLN 245 Cb 0.00 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 3djc h GLN 245 CO -0.09 0.58 0.09 0.78 -0.67 0.00 0.00 178.83 179.51 3djc h GLY 246 N 0.89 0.84 2.00 3.46 0.00 -1.22 -1.80 103.07 107.24 3djc h GLY 246 Ca 0.24 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 3djc h GLY 246 CO -0.05 0.51 -0.32 -2.22 0.00 0.00 0.00 176.54 174.46 3djc h ILE 247 N 0.65 1.17 -0.24 2.60 2.04 -1.16 0.11 117.51 122.69 3djc h ILE 247 Ca 0.15 -1.12 -0.13 0.00 1.00 0.00 0.00 64.86 64.76 3djc h ILE 247 Cb 0.37 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 3djc h ILE 247 CO 0.01 0.31 -0.35 -0.09 0.00 0.00 0.00 178.15 178.03 3djc h ARG 248 N 0.00 0.66 0.00 2.37 2.43 -1.31 -2.87 114.38 115.66 3djc h ARG 248 Ca -0.00 -0.39 -0.19 0.00 -0.81 0.00 0.00 59.98 58.58 3djc h ARG 248 Cb 0.59 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3djc h ARG 248 CO 0.04 1.00 -0.87 -0.07 -1.51 0.00 0.00 179.97 178.57 3djc h LEU 249 N 0.37 0.19 -0.54 3.80 4.07 -0.85 -1.78 115.31 120.58 3djc h LEU 249 Ca 0.02 -0.16 -0.15 0.00 0.08 0.00 0.00 57.88 57.68 3djc h LEU 249 Cb 0.94 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.60 3djc h LEU 249 CO 0.08 0.97 -0.71 0.00 -1.08 0.00 0.00 178.44 177.70 3djc h ALA 250 N 1.02 0.80 0.00 1.53 0.00 -0.89 -2.13 119.26 119.59 3djc h ALA 250 Ca -0.04 -0.64 -0.06 0.00 0.00 0.00 0.00 54.91 54.17 3djc h ALA 250 Cb 1.50 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3djc h ALA 250 CO 0.13 0.88 -0.31 0.00 0.00 0.00 0.00 179.25 179.95 3djc h ALA 251 N 1.29 0.98 -0.14 0.00 0.00 -1.39 -2.98 119.26 117.03 3djc h ALA 251 Ca -0.01 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 3djc h ALA 251 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3djc h ALA 251 CO 0.09 0.39 -0.43 1.98 0.00 0.00 0.00 179.25 181.27 3djc h MET 252 N 0.00 0.54 0.00 0.00 -1.53 -1.06 -3.06 114.93 109.82 3djc h MET 252 Ca -0.00 -0.40 -0.03 0.00 -3.44 0.00 0.00 59.70 55.83 3djc h MET 252 Cb 0.86 0.07 -0.00 0.00 -0.55 0.00 0.00 31.60 31.98 3djc h MET 252 CO 0.04 1.02 -0.15 0.52 0.14 0.00 0.00 176.91 178.47 3djc h MET 253 N 0.17 0.00 -0.08 0.39 2.86 -1.35 -3.23 114.93 113.68 3djc h MET 253 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3djc h MET 253 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 3djc h MET 253 CO 0.09 0.15 0.00 0.09 1.06 0.00 0.00 176.91 178.31 3djc n ASN 254 N -3.48 1.92 -4.63 1.22 3.02 -1.13 -4.92 115.26 107.27 3djc n ASN 254 Ca -0.01 -1.55 -0.43 0.00 -0.03 0.00 0.00 54.58 52.56 3djc n ASN 254 Cb 0.32 -0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.41 3djc n ASN 254 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3djc s THR 255 N -0.72 4.21 0.00 3.41 2.01 -1.16 -5.07 115.64 118.33 3djc s THR 255 Ca 0.10 1.36 0.00 0.00 0.31 0.00 0.00 61.69 63.46 3djc s THR 255 Cb 0.06 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.34 3djc s THR 255 CO 0.08 -0.51 0.00 0.00 -0.69 0.00 0.00 174.62 173.50