#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1djb s GLU 32 N 0.00 4.18 0.41 1.64 8.01 -1.26 -4.85 118.70 126.84 1djb s GLU 32 Ca 0.00 2.46 0.11 0.00 0.01 0.00 0.00 54.97 57.55 1djb s GLU 32 Cb 0.00 -3.08 0.88 0.00 -4.31 0.00 0.00 34.13 27.62 1djb s GLU 32 CO 0.00 -0.59 1.95 -0.07 0.01 0.00 0.00 175.26 176.57 1djb h LEU 33 N 5.63 0.14 -1.07 1.80 4.07 -1.99 -0.58 115.31 123.31 1djb h LEU 33 Ca -0.45 -0.03 -0.04 0.00 0.08 0.00 0.00 57.88 57.44 1djb h LEU 33 Cb 1.21 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.89 1djb h LEU 33 CO 0.84 0.30 0.21 0.78 -1.08 0.00 0.00 178.44 179.48 1djb h ASN 34 N 0.15 0.80 -0.45 -0.43 2.35 -1.99 0.26 115.58 116.27 1djb h ASN 34 Ca 0.03 -0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.57 1djb h ASN 34 Cb 0.33 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1djb h ASN 34 CO 0.02 0.74 -0.05 0.44 -1.65 0.00 0.00 177.43 176.93 1djb h ASP 35 N 0.85 0.87 -0.46 5.81 5.19 -1.51 0.50 116.42 127.68 1djb h ASP 35 Ca 0.20 -0.25 -0.05 0.00 -0.62 0.00 0.00 57.03 56.31 1djb h ASP 35 Cb 0.21 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 1djb h ASP 35 CO -0.01 0.96 0.09 -0.07 -3.12 0.00 0.00 179.24 177.08 1djb h LEU 36 N 0.81 0.71 -0.56 1.55 3.38 -0.42 0.18 115.31 120.97 1djb h LEU 36 Ca 0.14 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.90 1djb h LEU 36 Cb 0.56 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1djb h LEU 36 CO 0.03 0.78 0.32 -0.33 0.09 0.00 0.00 178.44 179.33 1djb h GLU 37 N 0.61 0.60 -0.13 1.13 5.08 0.26 -1.47 114.58 120.68 1djb h GLU 37 Ca 0.14 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1djb h GLU 37 Cb 0.37 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1djb h GLU 37 CO 0.01 0.40 0.08 -0.22 -1.00 0.00 0.00 179.01 178.27 1djb h LYS 38 N 0.62 0.18 -0.58 2.33 3.64 -0.65 0.60 116.57 122.71 1djb h LYS 38 Ca 0.24 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1djb h LYS 38 Cb 0.08 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1djb h LYS 38 CO -0.13 0.17 0.20 -0.22 -2.27 0.00 0.00 179.45 177.20 1djb h LYS 39 N 0.14 0.86 -0.01 1.90 3.64 -0.24 -3.04 116.57 119.82 1djb h LYS 39 Ca 0.05 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1djb h LYS 39 Cb 0.03 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1djb h LYS 39 CO -0.01 0.73 -0.55 0.66 -2.27 0.00 0.00 179.45 178.01 1djb n TYR 40 N -4.30 0.00 -3.93 1.91 4.01 -0.59 -4.98 117.16 109.29 1djb n TYR 40 Ca 0.05 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.53 1djb n TYR 40 Cb 0.19 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.21 1djb n TYR 40 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1djb n ASN 41 N -0.37 -1.01 -4.25 7.72 5.15 0.21 -4.98 115.26 117.73 1djb n ASN 41 Ca 0.07 -0.96 -0.20 0.00 -0.60 0.00 0.00 54.58 52.90 1djb n ASN 41 Cb 0.40 -3.27 -0.10 0.00 -0.53 0.00 0.00 39.78 36.29 1djb n ASN 41 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1djb s ALA 42 N -3.81 2.15 -0.11 5.20 0.00 -0.97 -4.64 121.76 119.58 1djb s ALA 42 Ca 0.11 -1.79 -0.00 0.00 0.00 0.00 0.00 51.96 50.28 1djb s ALA 42 Cb -0.06 0.92 -0.02 0.00 0.00 0.00 0.00 23.12 23.96 1djb s ALA 42 CO 0.87 -0.41 -0.09 -1.01 0.00 0.00 0.00 175.76 175.12 1djb s HIS 43 N -3.51 2.89 -0.03 0.00 3.76 0.16 -4.62 115.29 113.93 1djb s HIS 43 Ca 0.35 -0.31 0.07 0.00 -0.15 0.00 0.00 55.06 55.02 1djb s HIS 43 Cb 0.07 -1.81 -0.02 0.00 1.11 0.00 0.00 32.58 31.93 1djb s HIS 43 CO 0.15 0.03 -0.25 0.42 -0.85 0.00 0.00 174.74 174.24 1djb s ILE 44 N -0.09 2.02 -0.10 0.60 1.01 -1.26 -2.00 121.20 121.37 1djb s ILE 44 Ca -0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 60.65 59.56 1djb s ILE 44 Cb -0.13 -1.68 0.03 0.00 0.01 0.00 0.00 42.46 40.68 1djb s ILE 44 CO 0.03 0.57 -0.06 -0.83 0.00 0.00 0.00 174.94 174.65 1djb s GLY 45 N -0.48 0.75 0.03 6.18 0.00 0.00 -4.45 107.32 109.35 1djb s GLY 45 Ca 0.06 -0.45 0.04 0.00 0.00 0.00 0.00 44.72 44.38 1djb s GLY 45 CO 0.00 0.85 -0.13 0.14 0.00 0.00 0.00 173.10 173.96 1djb s VAL 46 N 1.72 1.02 -0.17 1.40 1.01 0.58 -1.37 120.40 124.59 1djb s VAL 46 Ca 0.04 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 1djb s VAL 46 Cb -0.13 -0.92 0.08 0.00 0.00 0.00 0.00 36.38 35.41 1djb s VAL 46 CO -0.07 0.01 0.31 -0.47 0.00 0.00 0.00 175.10 174.88 1djb s TYR 47 N -0.79 -0.54 -0.04 5.22 5.04 -0.77 -2.33 117.35 123.14 1djb s TYR 47 Ca 0.01 0.99 0.04 0.00 -2.44 0.00 0.00 57.07 55.67 1djb s TYR 47 Cb -0.07 0.01 -0.00 0.00 0.35 0.00 0.00 41.96 42.24 1djb s TYR 47 CO 0.01 -0.46 -0.16 0.00 -1.34 0.00 0.00 175.55 173.60 1djb s ALA 48 N 2.47 1.42 -0.06 3.97 0.00 -0.89 -0.08 121.76 128.60 1djb s ALA 48 Ca 0.03 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 1djb s ALA 48 Cb -0.13 -0.47 0.03 0.00 0.00 0.00 0.00 23.12 22.55 1djb s ALA 48 CO -0.11 0.26 0.04 -1.17 0.00 0.00 0.00 175.76 174.78 1djb s LEU 49 N 0.05 0.33 -0.52 0.00 2.96 0.26 -1.41 118.68 120.35 1djb s LEU 49 Ca -0.03 -0.00 -0.23 0.00 -0.22 0.00 0.00 54.13 53.64 1djb s LEU 49 Cb -0.11 -0.26 0.04 0.00 0.50 0.00 0.00 46.19 46.36 1djb s LEU 49 CO 0.02 -0.23 0.87 -0.62 -1.32 0.00 0.00 176.35 175.07 1djb s ASP 50 N 2.09 6.34 0.56 3.68 2.15 -0.39 0.01 116.67 131.12 1djb s ASP 50 Ca 0.05 -0.37 0.37 0.00 0.43 0.00 0.00 52.55 53.03 1djb s ASP 50 Cb -0.12 -2.41 1.87 0.00 -0.30 0.00 0.00 42.92 41.96 1djb s ASP 50 CO -0.04 -1.12 2.13 0.71 -0.17 0.00 0.00 175.17 176.68 1djb h THR 51 N 5.99 0.00 -0.07 1.71 1.35 -1.79 0.37 112.91 120.47 1djb h THR 51 Ca -0.26 -0.17 -0.10 0.00 -0.55 0.00 0.00 66.41 65.33 1djb h THR 51 Cb 1.08 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1djb h THR 51 CO 1.05 0.00 -0.34 0.50 -0.25 0.00 0.00 175.52 176.48 1djb h LYS 52 N 0.00 0.35 0.00 4.72 3.64 -1.88 -3.38 116.57 120.02 1djb h LYS 52 Ca 0.00 -0.29 -0.35 0.00 -1.27 0.00 0.00 60.65 58.74 1djb h LYS 52 Cb 0.18 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 1djb h LYS 52 CO 0.00 0.93 -2.22 -1.13 -2.27 0.00 0.00 179.45 174.75 1djb n SER 53 N -4.41 0.27 0.00 4.20 3.41 -1.12 -4.99 113.62 110.99 1djb n SER 53 Ca -0.08 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1djb n SER 53 Cb 0.51 0.69 0.00 0.00 -0.26 0.00 0.00 64.21 65.16 1djb n SER 53 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1djb n GLY 54 N 1.72 0.76 3.73 5.00 0.00 0.13 -5.04 105.19 111.48 1djb n GLY 54 Ca -0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1djb n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1djb s LYS 55 N -0.61 4.41 -0.03 1.61 2.20 -1.22 -4.78 119.74 121.32 1djb s LYS 55 Ca 0.00 1.99 0.06 0.00 -0.36 0.00 0.00 55.97 57.66 1djb s LYS 55 Cb 0.00 -3.22 -0.02 0.00 -1.51 0.00 0.00 37.83 33.07 1djb s LYS 55 CO 0.00 -0.23 -0.20 -1.21 -0.36 0.00 0.00 175.35 173.35 1djb s GLU 56 N 0.07 2.29 -0.08 4.03 2.02 -1.26 -1.26 118.70 124.52 1djb s GLU 56 Ca 0.57 -0.82 0.02 0.00 0.02 0.00 0.00 54.97 54.75 1djb s GLU 56 Cb -0.35 -2.21 -0.02 0.00 0.10 0.00 0.00 34.13 31.64 1djb s GLU 56 CO 0.36 0.59 -0.12 0.08 0.02 0.00 0.00 175.26 176.19 1djb s VAL 57 N -0.69 3.24 0.01 2.63 1.01 -0.50 -4.98 120.40 121.11 1djb s VAL 57 Ca 0.11 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.45 1djb s VAL 57 Cb -0.10 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 1djb s VAL 57 CO 0.00 0.57 -0.01 -0.54 0.00 0.00 0.00 175.10 175.12 1djb s LYS 59 N -0.41 0.17 -0.30 2.72 1.02 -1.26 -2.09 119.74 119.59 1djb s LYS 59 Ca 0.05 -0.32 -0.06 0.00 0.02 0.00 0.00 55.97 55.67 1djb s LYS 59 Cb -0.12 0.06 0.17 0.00 -0.52 0.00 0.00 37.83 37.42 1djb s LYS 59 CO 0.02 -0.03 0.71 0.12 -0.92 0.00 0.00 175.35 175.25 1djb s PHE 60 N -0.78 -1.32 -1.41 3.18 5.36 -0.99 -4.86 117.98 117.17 1djb s PHE 60 Ca -0.09 1.64 -0.06 0.00 -0.96 0.00 0.00 56.93 57.46 1djb s PHE 60 Cb -0.05 0.55 0.03 0.00 -0.34 0.00 0.00 43.02 43.21 1djb s PHE 60 CO -0.00 -0.71 0.47 0.09 -1.46 0.00 0.00 175.22 173.61 1djb n ASN 61 N 5.40 -4.93 0.02 6.13 3.02 -1.26 -0.31 115.26 123.33 1djb n ASN 61 Ca -0.05 -0.27 0.08 0.00 -0.03 0.00 0.00 54.58 54.32 1djb n ASN 61 Cb 0.51 -4.03 0.35 0.00 -0.61 0.00 0.00 39.78 36.00 1djb n ASN 61 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1djb n SER 62 N -2.33 0.08 -0.56 6.41 3.41 -1.26 -2.37 113.62 117.00 1djb n SER 62 Ca -0.08 0.52 0.08 0.00 -0.26 0.00 0.00 58.87 59.13 1djb n SER 62 Cb 0.59 -0.54 0.21 0.00 -0.26 0.00 0.00 64.21 64.21 1djb n SER 62 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1djb n ASP 63 N -1.59 3.12 -4.78 4.04 8.00 -1.26 -0.87 116.55 123.21 1djb n ASP 63 Ca 0.04 -3.11 -0.36 0.00 0.71 0.00 0.00 54.79 52.06 1djb n ASP 63 Cb 0.19 -0.50 -0.08 0.00 -0.02 0.00 0.00 41.12 40.71 1djb n ASP 63 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1djb s LYS 64 N -2.89 3.36 0.12 -1.24 2.20 -1.00 -4.96 119.74 115.34 1djb s LYS 64 Ca 0.38 -0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 55.44 1djb s LYS 64 Cb 0.32 -3.06 -0.06 0.00 -1.51 0.00 0.00 37.83 33.52 1djb s LYS 64 CO 0.06 0.68 0.94 1.03 -0.36 0.00 0.00 175.35 177.70 1djb s ARG 65 N -0.77 4.71 0.05 4.03 0.52 -1.26 -3.94 118.95 122.29 1djb s ARG 65 Ca 0.13 1.43 0.03 0.00 -0.52 0.00 0.00 55.73 56.79 1djb s ARG 65 Cb -0.12 -3.36 -0.02 0.00 0.52 0.00 0.00 34.95 31.97 1djb s ARG 65 CO 0.03 0.26 -0.09 -0.06 0.02 0.00 0.00 175.30 175.46 1djb s PHE 66 N -0.17 0.74 -0.05 -0.53 0.08 0.88 -4.91 117.98 114.02 1djb s PHE 66 Ca 0.45 -0.50 -0.30 0.00 0.12 0.00 0.00 56.93 56.71 1djb s PHE 66 Cb -0.23 -0.44 -0.05 0.00 -0.57 0.00 0.00 43.02 41.73 1djb s PHE 66 CO 0.30 -0.07 1.54 0.00 -0.10 0.00 0.00 175.22 176.89 1djb s ALA 67 N -1.39 3.62 -0.58 5.36 0.00 -1.26 -2.12 121.76 125.40 1djb s ALA 67 Ca -0.09 0.88 0.25 0.00 0.00 0.00 0.00 51.96 53.00 1djb s ALA 67 Cb -0.10 -3.69 0.68 0.00 0.00 0.00 0.00 23.12 20.01 1djb s ALA 67 CO 0.01 -1.23 1.72 0.10 0.00 0.00 0.00 175.76 176.36 1djb h TYR 68 N 8.85 0.00 0.00 0.00 -0.00 -1.85 -3.46 116.97 120.50 1djb h TYR 68 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.36 1djb h TYR 68 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.90 1djb h TYR 68 CO 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.99 1djb n ALA 69 N -1.91 0.00 0.04 0.10 0.00 -1.26 -2.60 120.51 114.88 1djb n ALA 69 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.49 1djb n ALA 69 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.92 1djb n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1djb n ALA 70 N 6.10 1.13 0.23 0.00 0.00 -1.26 -2.09 120.51 124.62 1djb n ALA 70 Ca 0.00 -0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.52 1djb n ALA 70 Cb 0.00 -1.02 0.57 0.00 0.00 0.00 0.00 19.45 19.00 1djb n ALA 70 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1djb h THR 71 N 0.00 0.82 0.00 0.00 1.35 -1.57 -2.19 112.91 111.32 1djb h THR 71 Ca 0.00 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1djb h THR 71 Cb 0.02 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1djb h THR 71 CO 0.00 0.21 0.00 0.77 -0.25 0.00 0.00 175.52 176.25 1djb h SER 72 N 0.00 0.00 -0.29 5.36 4.64 -1.61 -2.33 113.55 119.32 1djb h SER 72 Ca -0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1djb h SER 72 Cb 0.47 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1djb h SER 72 CO 0.03 0.00 0.20 0.11 -0.87 0.00 0.00 176.83 176.30 1djb h LYS 73 N 0.00 0.16 -0.42 4.77 1.57 -1.63 -0.03 116.57 121.00 1djb h LYS 73 Ca 0.00 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 1djb h LYS 73 Cb 0.17 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1djb h LYS 73 CO 0.00 0.11 -0.24 0.00 -0.57 0.00 0.00 179.45 178.74 1djb h ALA 74 N 1.85 0.59 -0.19 3.86 0.00 -1.61 -1.17 119.26 122.58 1djb h ALA 74 Ca 0.13 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1djb h ALA 74 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1djb h ALA 74 CO -0.02 0.59 -0.01 0.82 0.00 0.00 0.00 179.25 180.63 1djb h ILE 75 N 0.73 1.26 -0.52 0.00 2.04 -1.21 -1.62 117.51 118.19 1djb h ILE 75 Ca 0.09 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 1djb h ILE 75 Cb 0.82 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 1djb h ILE 75 CO 0.07 0.28 0.25 0.78 0.00 0.00 0.00 178.15 179.53 1djb h ASN 76 N 0.10 0.67 -0.63 1.72 2.35 -1.04 -1.86 115.58 116.88 1djb h ASN 76 Ca 0.05 -0.13 -0.09 0.00 -0.55 0.00 0.00 56.30 55.59 1djb h ASN 76 Cb 0.42 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1djb h ASN 76 CO 0.01 0.61 0.04 0.28 -1.65 0.00 0.00 177.43 176.72 1djb h SER 77 N 0.69 1.06 -0.16 5.81 0.02 -1.22 -2.69 113.55 117.06 1djb h SER 77 Ca 0.18 -0.29 -0.10 0.00 -0.84 0.00 0.00 61.79 60.74 1djb h SER 77 Cb 0.11 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1djb h SER 77 CO -0.02 1.09 -0.23 0.00 -1.14 0.00 0.00 176.83 176.53 1djb h ALA 78 N 1.01 1.02 -0.44 3.77 0.00 -1.03 -2.22 119.26 121.37 1djb h ALA 78 Ca 0.18 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1djb h ALA 78 Cb 0.52 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1djb h ALA 78 CO 0.03 0.58 -0.06 0.82 0.00 0.00 0.00 179.25 180.62 1djb h ILE 79 N 0.53 1.25 -0.31 0.00 2.04 -1.03 -2.44 117.51 117.55 1djb h ILE 79 Ca 0.08 -1.08 -0.11 0.00 1.00 0.00 0.00 64.86 64.75 1djb h ILE 79 Cb 0.68 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1djb h ILE 79 CO 0.05 0.37 -0.23 0.25 0.00 0.00 0.00 178.15 178.59 1djb h LEU 80 N 0.70 0.74 -0.39 1.44 5.85 -1.40 -2.34 115.31 119.91 1djb h LEU 80 Ca 0.13 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1djb h LEU 80 Cb 0.52 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1djb h LEU 80 CO 0.03 1.02 0.00 0.18 -0.34 0.00 0.00 178.44 179.33 1djb n LEU 81 N -4.30 0.30 0.11 2.25 4.77 -0.84 -1.57 117.00 117.72 1djb n LEU 81 Ca -0.03 0.58 -0.02 0.00 -0.03 0.00 0.00 56.01 56.51 1djb n LEU 81 Cb 0.44 -0.56 0.06 0.00 -2.33 0.00 0.00 43.42 41.02 1djb n LEU 81 CO 0.44 -0.46 0.38 -0.33 -1.33 0.00 0.00 177.39 176.09 1djb h GLU 82 N 0.00 0.00 -0.01 3.23 5.08 -0.92 -3.33 114.58 118.63 1djb h GLU 82 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1djb h GLU 82 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1djb h GLU 82 CO 0.00 0.71 -0.45 0.00 -1.00 0.00 0.00 179.01 178.27 1djb n GLN 83 N -3.49 1.37 -3.84 2.33 10.64 -0.61 -4.88 117.38 118.90 1djb n GLN 83 Ca -0.00 -0.87 -0.28 0.00 -1.83 0.00 0.00 57.00 54.02 1djb n GLN 83 Cb 0.75 -1.39 -0.16 0.00 -0.86 0.00 0.00 30.24 28.57 1djb n GLN 83 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1djb s VAL 84 N -2.28 0.98 0.60 -0.39 1.01 -0.88 -5.11 120.40 114.34 1djb s VAL 84 Ca 0.16 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 1djb s VAL 84 Cb 0.16 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1djb s VAL 84 CO 0.52 -0.06 1.24 -2.84 0.00 0.00 0.00 175.10 173.96 1djb s PRO 87 N 1.66 2.90 0.24 2.72 0.02 -1.26 -4.71 135.00 136.57 1djb s PRO 87 Ca -0.02 1.92 -0.14 0.00 0.02 0.00 0.00 61.00 62.78 1djb s PRO 87 Cb -0.17 -1.94 0.31 0.00 0.02 0.00 0.00 34.50 32.71 1djb s PRO 87 CO -0.07 -1.29 1.56 -0.92 -0.33 0.00 0.00 177.00 175.94 1djb h TYR 88 N 0.87 -0.90 -0.03 6.54 3.20 -1.95 0.18 116.97 124.89 1djb h TYR 88 Ca -0.51 0.10 0.01 0.00 3.14 0.00 0.00 58.73 61.47 1djb h TYR 88 Cb 1.31 0.54 -0.00 0.00 1.54 0.00 0.00 36.73 40.12 1djb h TYR 88 CO 0.45 -0.41 0.10 -2.95 -1.64 0.00 0.00 178.16 173.71 1djb h ASN 89 N -0.01 0.00 -0.61 -2.11 -1.07 -2.01 -1.38 115.58 108.39 1djb h ASN 89 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.76 1djb h ASN 89 Cb 0.64 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.89 1djb h ASN 89 CO -0.99 0.00 0.00 0.29 0.07 0.00 0.00 177.43 176.80 1djb n LYS 90 N -3.23 3.49 0.00 4.14 5.02 0.63 -4.37 118.16 123.83 1djb n LYS 90 Ca -0.02 -2.79 0.13 0.00 -2.02 0.00 0.00 58.31 53.60 1djb n LYS 90 Cb 0.17 -1.79 0.59 0.00 -0.02 0.00 0.00 35.03 33.98 1djb n LYS 90 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1djb n LEU 91 N 1.05 0.00 0.11 -0.35 4.77 -0.52 -2.53 117.00 119.53 1djb n LEU 91 Ca 0.24 0.41 0.12 0.00 -0.03 0.00 0.00 56.01 56.76 1djb n LEU 91 Cb 0.82 -0.41 0.46 0.00 -2.33 0.00 0.00 43.42 41.95 1djb n LEU 91 CO 0.21 -0.05 0.87 -0.46 -1.33 0.00 0.00 177.39 176.63 1djb n ASN 92 N -1.41 0.69 -4.72 -1.43 2.04 -1.26 -1.34 115.26 107.83 1djb n ASN 92 Ca 0.09 0.62 -0.42 0.00 -0.44 0.00 0.00 54.58 54.43 1djb n ASN 92 Cb 0.26 -0.79 -0.01 0.00 -2.53 0.00 0.00 39.78 36.72 1djb n ASN 92 CO 0.00 0.00 0.00 1.17 -0.44 0.00 0.00 177.26 177.99 1djb n LYS 93 N -2.21 2.29 -4.14 -3.83 3.00 -1.05 -4.66 118.16 107.57 1djb n LYS 93 Ca 0.04 0.80 -0.26 0.00 -0.00 0.00 0.00 58.31 58.89 1djb n LYS 93 Cb 0.31 -2.43 -0.06 0.00 0.00 0.00 0.00 35.03 32.84 1djb n LYS 93 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1djb s LYS 94 N -1.88 2.68 0.06 1.64 1.02 -1.26 -1.41 119.74 120.59 1djb s LYS 94 Ca 0.55 -0.97 0.04 0.00 0.02 0.00 0.00 55.97 55.61 1djb s LYS 94 Cb -0.54 -2.52 -0.03 0.00 -0.52 0.00 0.00 37.83 34.22 1djb s LYS 94 CO 0.62 0.47 -0.13 0.14 -0.92 0.00 0.00 175.35 175.54 1djb s VAL 95 N -1.75 0.98 0.11 3.17 -7.23 0.04 -4.92 120.40 110.80 1djb s VAL 95 Ca 0.29 -1.19 -0.14 0.00 -1.81 0.00 0.00 61.98 59.13 1djb s VAL 95 Cb -0.10 -0.95 -0.07 0.00 0.56 0.00 0.00 36.38 35.83 1djb s VAL 95 CO 0.21 -0.22 0.51 -2.28 -0.31 0.00 0.00 175.10 173.01 1djb s HIS 96 N -1.21 3.63 -0.09 2.82 2.46 -1.26 -0.83 115.29 120.81 1djb s HIS 96 Ca -0.03 1.01 0.04 0.00 0.47 0.00 0.00 55.06 56.55 1djb s HIS 96 Cb -0.10 -2.33 0.00 0.00 -0.13 0.00 0.00 32.58 30.03 1djb s HIS 96 CO 0.02 0.48 -0.21 0.42 -2.47 0.00 0.00 174.74 172.97 1djb s ILE 97 N -1.39 1.84 0.35 0.89 -1.09 -0.44 -4.99 121.20 116.38 1djb s ILE 97 Ca 0.35 -0.90 0.01 0.00 -2.23 0.00 0.00 60.65 57.88 1djb s ILE 97 Cb -0.15 -1.60 -0.00 0.00 -1.58 0.00 0.00 42.46 39.12 1djb s ILE 97 CO 0.18 0.51 0.03 -0.46 -1.23 0.00 0.00 174.94 173.98 1djb n ASN 98 N 3.53 2.48 -0.18 3.58 0.23 -1.26 -1.09 115.26 122.55 1djb n ASN 98 Ca -0.20 -2.63 0.14 0.00 -0.53 0.00 0.00 54.58 51.36 1djb n ASN 98 Cb 0.53 0.41 0.47 0.00 -2.08 0.00 0.00 39.78 39.11 1djb n ASN 98 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1djb h LYS 99 N 0.00 0.47 0.00 -3.83 1.57 -1.96 -0.77 116.57 112.05 1djb h LYS 99 Ca -0.29 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1djb h LYS 99 Cb 0.93 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 1djb h LYS 99 CO 0.47 0.31 -0.01 -0.44 -0.57 0.00 0.00 179.45 179.22 1djb h ASP 100 N 0.48 0.00 0.93 0.86 3.32 -2.03 -3.08 116.42 116.90 1djb h ASP 100 Ca 0.38 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.26 1djb h ASP 100 Cb 0.78 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1djb h ASP 100 CO -0.13 0.01 -0.80 0.44 -1.72 0.00 0.00 179.24 177.03 1djb h ASP 101 N 0.00 0.00 -2.64 6.45 3.32 -1.53 -3.46 116.42 118.57 1djb h ASP 101 Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1djb h ASP 101 Cb 0.39 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.95 1djb h ASP 101 CO 0.00 0.80 1.05 -0.63 -1.72 0.00 0.00 179.24 178.74 1djb s ILE 102 N -3.05 3.33 0.33 0.35 -1.09 -1.17 -4.77 121.20 115.14 1djb s ILE 102 Ca 0.01 0.58 0.08 0.00 -2.23 0.00 0.00 60.65 59.08 1djb s ILE 102 Cb 0.11 -3.37 -0.07 0.00 -1.58 0.00 0.00 42.46 37.55 1djb s ILE 102 CO 0.79 -0.03 -0.06 0.68 -1.23 0.00 0.00 174.94 175.09 1djb s VAL 103 N 3.44 1.95 0.47 2.92 -7.23 -1.26 -5.05 120.40 115.63 1djb s VAL 103 Ca 0.74 -2.13 -0.23 0.00 -1.81 0.00 0.00 61.98 58.56 1djb s VAL 103 Cb -0.37 -2.66 -0.09 0.00 0.56 0.00 0.00 36.38 33.83 1djb s VAL 103 CO 0.32 -0.18 0.97 0.00 -0.31 0.00 0.00 175.10 175.89 1djb n ALA 104 N -0.75 0.12 -3.04 1.32 0.00 -1.26 -3.97 120.51 112.94 1djb n ALA 104 Ca -0.05 0.16 -0.03 0.00 0.00 0.00 0.00 53.44 53.52 1djb n ALA 104 Cb 0.64 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1djb n ALA 104 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1djb n TYR 105 N -0.84 -3.09 -3.25 0.00 9.36 -1.26 -4.55 117.16 113.54 1djb n TYR 105 Ca 0.10 1.20 -0.25 0.00 3.32 0.00 0.00 57.90 62.28 1djb n TYR 105 Cb 0.42 -4.04 -0.08 0.00 -0.63 0.00 0.00 39.34 35.01 1djb n TYR 105 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1djb n SER 106 N -1.40 0.32 -0.08 2.98 7.64 -1.25 -1.95 113.62 119.89 1djb n SER 106 Ca 0.02 -2.69 0.15 0.00 1.01 0.00 0.00 58.87 57.36 1djb n SER 106 Cb 0.50 -0.63 0.56 0.00 -1.01 0.00 0.00 64.21 63.63 1djb n SER 106 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1djb h PRO 107 N 4.32 0.27 0.00 1.43 0.13 -1.94 -1.97 132.00 134.24 1djb h PRO 107 Ca 0.11 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 65.04 1djb h PRO 107 Cb 0.87 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.91 1djb h PRO 107 CO 0.47 0.18 -1.15 -0.89 -0.23 0.00 0.00 178.00 176.38 1djb n ILE 108 N -4.45 1.50 0.30 -3.56 2.08 -1.26 -4.51 119.36 109.46 1djb n ILE 108 Ca 0.11 0.02 0.18 0.00 0.56 0.00 0.00 62.75 63.61 1djb n ILE 108 Cb 0.49 -2.13 0.92 0.00 -0.75 0.00 0.00 39.64 38.17 1djb n ILE 108 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1djb h LEU 109 N -1.00 0.00 -1.58 1.39 -0.00 -1.97 -2.74 115.31 109.41 1djb h LEU 109 Ca -0.28 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.56 1djb h LEU 109 Cb 1.12 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.77 1djb h LEU 109 CO -0.17 0.04 -0.22 1.05 -0.00 0.00 0.00 178.44 179.14 1djb h GLU 110 N 0.00 0.00 -0.00 1.13 4.11 -1.59 -0.18 114.58 118.05 1djb h GLU 110 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1djb h GLU 110 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1djb h GLU 110 CO 0.00 0.22 0.00 1.63 0.07 0.00 0.00 179.01 180.93 1djb n LYS 111 N -4.23 1.02 -0.25 1.06 4.76 -1.03 -3.80 118.16 115.68 1djb n LYS 111 Ca -0.02 -0.03 0.07 0.00 -2.87 0.00 0.00 58.31 55.46 1djb n LYS 111 Cb 0.28 -1.41 0.20 0.00 -1.84 0.00 0.00 35.03 32.26 1djb n LYS 111 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1djb n TYR 112 N -0.88 0.65 -1.76 2.13 4.02 -0.08 -4.94 117.16 116.30 1djb n TYR 112 Ca 0.19 -0.53 -0.42 0.00 -0.01 0.00 0.00 57.90 57.14 1djb n TYR 112 Cb 0.10 -0.05 -0.03 0.00 -0.02 0.00 0.00 39.34 39.34 1djb n TYR 112 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1djb s VAL 113 N -1.14 2.10 0.00 -0.72 1.01 -1.25 -0.70 120.40 119.71 1djb s VAL 113 Ca 0.31 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1djb s VAL 113 Cb 0.17 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1djb s VAL 113 CO 0.19 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1djb n GLY 114 N 3.70 2.18 3.92 4.51 0.00 -0.25 -4.98 105.19 114.27 1djb n GLY 114 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1djb n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1djb s LYS 115 N -0.01 2.26 0.22 1.61 1.02 0.13 -4.88 119.74 120.09 1djb s LYS 115 Ca 0.00 -1.98 0.11 0.00 0.02 0.00 0.00 55.97 54.12 1djb s LYS 115 Cb 0.00 -2.16 -0.05 0.00 -0.52 0.00 0.00 37.83 35.10 1djb s LYS 115 CO 0.00 -0.66 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.09 1djb s ASP 116 N -4.33 3.77 -0.04 2.83 1.01 -1.26 -1.33 116.67 117.33 1djb s ASP 116 Ca 0.37 -0.83 -0.07 0.00 0.71 0.00 0.00 52.55 52.74 1djb s ASP 116 Cb -0.03 -0.43 0.01 0.00 1.01 0.00 0.00 42.92 43.48 1djb s ASP 116 CO 0.23 0.08 0.16 -0.51 0.21 0.00 0.00 175.17 175.34 1djb s ILE 117 N -2.00 0.03 0.78 0.77 2.07 -0.01 -4.92 121.20 117.93 1djb s ILE 117 Ca 0.25 -0.29 -0.11 0.00 -1.41 0.00 0.00 60.65 59.09 1djb s ILE 117 Cb -0.07 -0.33 0.06 0.00 0.13 0.00 0.00 42.46 42.26 1djb s ILE 117 CO 0.14 -0.16 1.09 0.42 -1.91 0.00 0.00 174.94 174.51 1djb s THR 118 N -0.53 3.27 0.23 4.00 -4.23 -1.26 -0.78 115.64 116.34 1djb s THR 118 Ca -0.06 0.41 -0.02 0.00 -1.18 0.00 0.00 61.69 60.84 1djb s THR 118 Cb -0.04 -3.09 0.04 0.00 1.34 0.00 0.00 72.50 70.75 1djb s THR 118 CO 0.01 -0.54 1.64 -0.07 -0.54 0.00 0.00 174.62 175.12 1djb h LEU 119 N -1.07 0.69 -0.40 4.79 3.38 -0.71 -2.40 115.31 119.58 1djb h LEU 119 Ca -0.46 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.34 1djb h LEU 119 Cb 1.25 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.74 1djb h LEU 119 CO 0.57 0.92 -0.09 0.50 0.09 0.00 0.00 178.44 180.43 1djb h LYS 120 N 0.59 0.01 0.00 1.13 1.63 -1.49 -1.08 116.57 117.35 1djb h LYS 120 Ca 0.08 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.85 1djb h LYS 120 Cb 0.75 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.37 1djb h LYS 120 CO 0.06 0.01 -0.14 0.00 -3.45 0.00 0.00 179.45 175.92 1djb h ALA 121 N 1.40 1.01 -0.38 5.00 0.00 -1.82 -1.30 119.26 123.18 1djb h ALA 121 Ca 0.20 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1djb h ALA 121 Cb 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1djb h ALA 121 CO -0.41 0.18 -0.21 -0.07 0.00 0.00 0.00 179.25 178.74 1djb h LEU 122 N 0.00 0.84 -0.22 0.00 3.38 -0.71 -1.57 115.31 117.02 1djb h LEU 122 Ca -0.00 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 1djb h LEU 122 Cb 0.69 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1djb h LEU 122 CO 0.02 1.07 -0.15 0.40 0.09 0.00 0.00 178.44 179.87 1djb h ILE 123 N 0.60 1.31 -0.82 1.22 2.04 -0.96 -2.29 117.51 118.61 1djb h ILE 123 Ca 0.08 -1.26 0.03 0.00 1.00 0.00 0.00 64.86 64.72 1djb h ILE 123 Cb 0.77 1.65 -0.05 0.00 -0.74 0.00 0.00 36.82 38.45 1djb h ILE 123 CO 0.06 0.39 0.53 -0.33 0.00 0.00 0.00 178.15 178.80 1djb h GLU 124 N 0.19 1.00 -0.32 2.37 5.08 -1.27 -0.67 114.58 120.96 1djb h GLU 124 Ca 0.04 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1djb h GLU 124 Cb 0.67 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1djb h GLU 124 CO 0.04 0.66 -0.02 0.00 -1.00 0.00 0.00 179.01 178.69 1djb h ALA 125 N 1.34 0.43 -0.24 3.43 0.00 -1.17 -0.92 119.26 122.14 1djb h ALA 125 Ca 0.33 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1djb h ALA 125 Cb 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1djb h ALA 125 CO -0.11 0.21 0.03 1.03 0.00 0.00 0.00 179.25 180.41 1djb h SER 126 N 0.37 0.39 0.26 0.00 0.87 -1.18 -0.62 113.55 113.63 1djb h SER 126 Ca 0.09 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.37 1djb h SER 126 Cb 0.48 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1djb h SER 126 CO 0.02 0.56 -0.12 0.24 -0.53 0.00 0.00 176.83 176.99 1djb h MET 127 N 0.20 -0.33 -0.02 2.24 2.07 -1.15 0.08 114.93 118.01 1djb h MET 127 Ca 0.07 0.02 -0.21 0.00 -2.07 0.00 0.00 59.70 57.51 1djb h MET 127 Cb 0.34 0.08 -0.00 0.00 -1.87 0.00 0.00 31.60 30.14 1djb h MET 127 CO 0.01 0.02 -0.87 1.15 1.07 0.00 0.00 176.91 178.28 1djb h THR 128 N -0.81 1.40 -0.01 2.22 2.02 -1.31 -3.36 112.91 113.07 1djb h THR 128 Ca -0.04 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.77 1djb h THR 128 Cb 0.51 2.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.25 1djb h THR 128 CO 0.06 0.71 -0.00 -1.22 0.37 0.00 0.00 175.52 175.43 1djb n TYR 129 N -3.77 0.00 -3.82 3.16 4.02 -0.60 -4.82 117.16 111.34 1djb n TYR 129 Ca -0.06 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.57 1djb n TYR 129 Cb 0.80 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 40.14 1djb n TYR 129 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1djb n SER 130 N 0.31 -3.05 -4.66 7.72 2.88 0.01 -4.86 113.62 111.97 1djb n SER 130 Ca 0.03 -0.80 -0.42 0.00 -1.33 0.00 0.00 58.87 56.35 1djb n SER 130 Cb 0.14 -3.95 -0.03 0.00 -0.75 0.00 0.00 64.21 59.63 1djb n SER 130 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1djb s ASP 131 N -3.82 6.55 0.12 -3.46 -1.08 -0.34 -4.90 116.67 109.73 1djb s ASP 131 Ca 0.35 2.48 -0.14 0.00 -0.52 0.00 0.00 52.55 54.72 1djb s ASP 131 Cb -0.17 -2.53 -0.05 0.00 -1.46 0.00 0.00 42.92 38.71 1djb s ASP 131 CO 0.82 -0.99 1.48 0.78 0.52 0.00 0.00 175.17 177.78 1djb h ASN 132 N 10.05 0.82 -0.46 -0.34 2.35 -1.63 -2.26 115.58 124.10 1djb h ASN 132 Ca -0.45 -0.42 -0.03 0.00 -0.55 0.00 0.00 56.30 54.85 1djb h ASN 132 Cb 1.21 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.33 1djb h ASN 132 CO 0.95 1.06 0.16 0.74 -1.65 0.00 0.00 177.43 178.68 1djb h THR 133 N 0.58 1.22 -0.52 2.81 2.02 -1.81 -2.00 112.91 115.20 1djb h THR 133 Ca 0.08 -0.70 0.07 0.00 0.77 0.00 0.00 66.41 66.62 1djb h THR 133 Cb 0.76 0.80 -0.06 0.00 -1.74 0.00 0.00 68.15 67.92 1djb h THR 133 CO 0.06 0.26 0.21 0.00 0.37 0.00 0.00 175.52 176.41 1djb h ALA 134 N 1.01 0.65 0.17 6.16 0.00 -1.86 -0.61 119.26 124.78 1djb h ALA 134 Ca 0.15 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1djb h ALA 134 Cb 0.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1djb h ALA 134 CO -0.01 -0.18 -0.12 -0.97 0.00 0.00 0.00 179.25 177.97 1djb h ASN 135 N 0.40 -0.31 -0.81 0.00 -1.24 -1.24 -0.55 115.58 111.83 1djb h ASN 135 Ca 0.25 0.02 0.07 0.00 0.71 0.00 0.00 56.30 57.35 1djb h ASN 135 Cb 0.24 0.10 -0.06 0.00 0.73 0.00 0.00 38.32 39.33 1djb h ASN 135 CO -0.23 -0.19 0.49 0.78 -1.29 0.00 0.00 177.43 176.98 1djb h ASN 136 N -0.29 0.75 -0.54 1.15 4.21 -1.06 -0.78 115.58 119.01 1djb h ASN 136 Ca -0.01 0.03 -0.05 0.00 1.21 0.00 0.00 56.30 57.48 1djb h ASN 136 Cb 0.26 -0.13 -0.03 0.00 -1.12 0.00 0.00 38.32 37.31 1djb h ASN 136 CO -0.00 0.47 0.16 0.11 -1.29 0.00 0.00 177.43 176.88 1djb h LYS 137 N 0.88 0.89 -0.56 0.81 1.79 -1.00 -0.10 116.57 119.28 1djb h LYS 137 Ca 0.36 -0.18 -0.06 0.00 -2.18 0.00 0.00 60.65 58.60 1djb h LYS 137 Cb 0.21 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 1djb h LYS 137 CO -0.19 0.78 0.13 0.82 -1.08 0.00 0.00 179.45 179.92 1djb h ILE 138 N 0.86 1.25 -0.11 1.86 2.04 0.25 0.08 117.51 123.75 1djb h ILE 138 Ca 0.19 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 1djb h ILE 138 Cb 0.28 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1djb h ILE 138 CO -0.01 0.33 0.06 0.40 0.00 0.00 0.00 178.15 178.94 1djb h ILE 139 N 0.80 1.06 -0.34 -0.67 2.04 -0.66 -1.30 117.51 118.45 1djb h ILE 139 Ca 0.18 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1djb h ILE 139 Cb 0.35 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 1djb h ILE 139 CO 0.00 0.05 0.04 0.11 0.00 0.00 0.00 178.15 178.35 1djb h LYS 140 N 0.11 0.14 -0.63 2.37 1.79 -0.71 0.70 116.57 120.35 1djb h LYS 140 Ca 0.04 -0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.59 1djb h LYS 140 Cb 0.03 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.61 1djb h LYS 140 CO -0.01 0.09 0.42 0.93 -1.08 0.00 0.00 179.45 179.80 1djb h GLU 141 N 0.15 0.49 0.00 3.15 4.39 -0.51 0.31 114.58 122.55 1djb h GLU 141 Ca 0.16 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.74 1djb h GLU 141 Cb 0.20 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1djb h GLU 141 CO -0.24 0.33 -0.43 0.82 -1.16 0.00 0.00 179.01 178.33 1djb h ILE 142 N 0.51 1.01 0.00 3.13 2.04 -0.61 -3.47 117.51 120.12 1djb h ILE 142 Ca 0.28 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.49 1djb h ILE 142 Cb 0.45 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1djb h ILE 142 CO -0.09 0.42 0.00 0.61 0.00 0.00 0.00 178.15 179.10 1djb n GLY 143 N 0.24 0.30 0.00 5.37 0.00 0.10 -4.89 105.19 106.31 1djb n GLY 143 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1djb n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djb n GLY 144 N 0.00 2.24 0.37 -0.02 0.00 0.18 -4.43 105.19 103.52 1djb n GLY 144 Ca 0.00 -2.04 0.08 0.00 0.00 0.00 0.00 46.02 44.06 1djb n GLY 144 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1djb h ILE 145 N 0.00 0.93 -0.92 -0.61 2.04 -1.97 -0.44 117.51 116.53 1djb h ILE 145 Ca 0.00 -0.32 0.06 0.00 1.00 0.00 0.00 64.86 65.59 1djb h ILE 145 Cb 0.00 -0.10 -0.06 0.00 -0.74 0.00 0.00 36.82 35.92 1djb h ILE 145 CO 0.00 0.17 0.59 0.11 0.00 0.00 0.00 178.15 179.02 1djb h LYS 146 N 0.94 1.06 -0.02 2.37 6.56 -1.92 0.24 116.57 125.80 1djb h LYS 146 Ca 0.47 -0.06 -0.16 0.00 -1.06 0.00 0.00 60.65 59.83 1djb h LYS 146 Cb 0.48 -0.24 -0.02 0.00 -0.57 0.00 0.00 32.23 31.89 1djb h LYS 146 CO -0.23 0.70 -0.73 0.87 -2.06 0.00 0.00 179.45 178.00 1djb h LYS 147 N 1.09 0.11 -0.48 3.15 1.79 -1.31 -1.96 116.57 118.96 1djb h LYS 147 Ca 0.39 -0.10 -0.08 0.00 -2.18 0.00 0.00 60.65 58.68 1djb h LYS 147 Cb 0.12 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 1djb h LYS 147 CO -0.16 0.79 -0.00 0.28 -1.08 0.00 0.00 179.45 179.28 1djb h VAL 148 N 0.07 1.26 -0.78 0.50 2.07 -0.53 -2.37 116.25 116.47 1djb h VAL 148 Ca -0.02 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 1djb h VAL 148 Cb 1.29 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 1djb h VAL 148 CO 0.10 0.38 0.33 0.50 0.02 0.00 0.00 177.57 178.90 1djb h LYS 149 N 0.72 1.16 -0.80 1.57 3.64 -0.41 -1.42 116.57 121.02 1djb h LYS 149 Ca 0.14 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1djb h LYS 149 Cb 0.51 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 1djb h LYS 149 CO 0.03 0.93 0.52 0.37 -2.27 0.00 0.00 179.45 179.02 1djb h GLN 150 N 1.13 1.06 -0.23 1.90 4.15 -1.27 -1.21 115.11 120.64 1djb h GLN 150 Ca 0.26 -0.07 -0.14 0.00 0.77 0.00 0.00 58.65 59.47 1djb h GLN 150 Cb 0.19 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 1djb h GLN 150 CO -0.03 0.72 -0.44 -0.09 -1.93 0.00 0.00 178.83 177.06 1djb h ARG 151 N 1.09 0.57 -0.55 1.69 9.65 -0.87 -1.58 114.38 124.38 1djb h ARG 151 Ca 0.29 -0.31 -0.06 0.00 -1.10 0.00 0.00 59.98 58.80 1djb h ARG 151 Cb -0.10 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.47 1djb h ARG 151 CO -0.06 0.91 0.12 -0.07 2.80 0.00 0.00 179.97 183.66 1djb h LEU 152 N 0.46 0.85 -0.71 3.80 3.38 -0.91 -2.36 115.31 119.84 1djb h LEU 152 Ca 0.03 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1djb h LEU 152 Cb 0.96 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1djb h LEU 152 CO 0.09 0.88 0.44 0.11 0.09 0.00 0.00 178.44 180.04 1djb h LYS 153 N 0.79 0.95 -0.79 1.13 1.57 -1.00 0.18 116.57 119.41 1djb h LYS 153 Ca 0.17 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1djb h LYS 153 Cb 0.37 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 1djb h LYS 153 CO 0.00 0.66 0.52 0.93 -0.57 0.00 0.00 179.45 180.99 1djb h GLU 154 N 0.96 0.88 0.00 3.15 5.08 -1.09 0.14 114.58 123.71 1djb h GLU 154 Ca 0.26 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1djb h GLU 154 Cb -0.06 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 28.99 1djb h GLU 154 CO -0.05 0.58 0.00 1.28 -1.00 0.00 0.00 179.01 179.82 1djb n LEU 155 N -4.47 0.00 0.00 1.33 4.77 -0.88 -4.89 117.00 112.86 1djb n LEU 155 Ca 0.11 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1djb n LEU 155 Cb 0.16 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1djb n LEU 155 CO 0.34 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1djb n GLY 156 N 1.05 0.82 3.29 -0.72 0.00 0.50 -4.96 105.19 105.18 1djb n GLY 156 Ca 0.17 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 1djb n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1djb s ASP 157 N -2.46 5.52 -0.09 1.61 -1.08 0.59 -4.84 116.67 115.92 1djb s ASP 157 Ca 0.00 -1.24 0.14 0.00 -0.52 0.00 0.00 52.55 50.93 1djb s ASP 157 Cb 0.00 -1.94 0.45 0.00 -1.46 0.00 0.00 42.92 39.96 1djb s ASP 157 CO 0.00 -0.41 1.37 0.29 0.52 0.00 0.00 175.17 176.94 1djb n LYS 158 N 4.89 3.01 -0.09 4.34 4.76 -1.26 -3.20 118.16 130.60 1djb n LYS 158 Ca -0.11 -2.48 -0.18 0.00 -2.87 0.00 0.00 58.31 52.67 1djb n LYS 158 Cb 0.44 -1.59 -0.06 0.00 -1.84 0.00 0.00 35.03 31.99 1djb n LYS 158 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1djb n VAL 159 N 0.15 1.28 -1.58 -0.18 0.31 -1.26 -4.93 118.33 112.11 1djb n VAL 159 Ca 0.17 -0.13 -0.51 0.00 -0.01 0.00 0.00 64.34 63.86 1djb n VAL 159 Cb 0.68 -1.93 -0.06 0.00 -0.91 0.00 0.00 33.84 31.61 1djb n VAL 159 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1djb n THR 160 N -4.07 0.34 -3.62 2.52 -1.04 -1.26 -4.62 114.28 102.52 1djb n THR 160 Ca -0.32 -0.18 -0.35 0.00 -2.04 0.00 0.00 64.05 61.17 1djb n THR 160 Cb 0.67 -1.67 -0.07 0.00 -1.82 0.00 0.00 70.33 67.44 1djb n THR 160 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1djb n ASN 161 N 8.00 4.16 -4.68 8.00 5.15 0.67 -4.99 115.26 131.57 1djb n ASN 161 Ca 0.32 -3.18 -0.42 0.00 -0.60 0.00 0.00 54.58 50.69 1djb n ASN 161 Cb 0.24 -1.00 -0.03 0.00 -0.53 0.00 0.00 39.78 38.46 1djb n ASN 161 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1djb s PRO 162 N -1.55 4.29 0.00 1.20 0.04 -1.26 -0.44 135.00 137.29 1djb s PRO 162 Ca 0.28 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1djb s PRO 162 Cb -0.04 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.86 1djb s PRO 162 CO -0.11 -0.57 0.00 0.28 0.04 0.00 0.00 177.00 176.64 1djb n VAL 163 N 4.85 0.00 -4.18 -0.36 0.31 -1.26 -4.90 118.33 112.79 1djb n VAL 163 Ca 0.13 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.22 1djb n VAL 163 Cb 0.45 -0.80 -0.06 0.00 -0.91 0.00 0.00 33.84 32.52 1djb n VAL 163 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1djb s ARG 164 N -1.85 2.64 0.64 5.55 0.52 -1.26 -5.05 118.95 120.14 1djb s ARG 164 Ca 0.00 -1.13 -0.02 0.00 -0.52 0.00 0.00 55.73 54.06 1djb s ARG 164 Cb 0.00 -2.43 0.06 0.00 0.52 0.00 0.00 34.95 33.10 1djb s ARG 164 CO 0.00 0.42 0.91 0.71 0.02 0.00 0.00 175.30 177.35 1djb s TYR 165 N -2.02 2.66 0.43 -0.53 2.02 -1.26 -4.55 117.35 114.10 1djb s TYR 165 Ca 0.31 0.12 -0.25 0.00 -0.37 0.00 0.00 57.07 56.88 1djb s TYR 165 Cb -0.08 -2.98 -0.08 0.00 -0.40 0.00 0.00 41.96 38.42 1djb s TYR 165 CO 0.22 -1.23 1.25 -1.21 -1.57 0.00 0.00 175.55 173.00 1djb s GLU 166 N -5.02 3.85 0.00 -0.62 0.41 -1.26 -1.50 118.70 114.56 1djb s GLU 166 Ca 0.60 2.00 0.22 0.00 -0.41 0.00 0.00 54.97 57.38 1djb s GLU 166 Cb -0.10 -2.61 0.02 0.00 -1.78 0.00 0.00 34.13 29.66 1djb s GLU 166 CO 0.42 -0.54 1.08 0.44 -0.49 0.00 0.00 175.26 176.17 1djb n ILE 167 N -0.14 0.00 0.12 -1.63 -5.35 -1.26 -4.84 119.36 106.25 1djb n ILE 167 Ca 0.05 -0.30 0.18 0.00 -0.27 0.00 0.00 62.75 62.41 1djb n ILE 167 Cb 0.45 1.28 0.75 0.00 -1.74 0.00 0.00 39.64 40.39 1djb n ILE 167 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1djb h GLU 168 N 2.67 0.00 0.00 6.28 5.08 -1.83 -0.59 114.58 126.19 1djb h GLU 168 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1djb h GLU 168 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1djb h GLU 168 CO 0.00 0.00 0.00 1.47 -1.00 0.00 0.00 179.01 179.48 1djb n LEU 169 N -4.05 0.05 -0.19 1.33 -0.00 -0.56 -1.81 117.00 111.77 1djb n LEU 169 Ca 0.05 0.52 0.12 0.00 -0.00 0.00 0.00 56.01 56.70 1djb n LEU 169 Cb 0.46 -0.53 0.20 0.00 -0.00 0.00 0.00 43.42 43.55 1djb n LEU 169 CO 0.31 -0.50 0.44 0.59 -0.00 0.00 0.00 177.39 178.23 1djb n ASN 170 N -1.57 1.07 -4.30 1.45 3.02 -0.23 -4.60 115.26 110.10 1djb n ASN 170 Ca 0.00 -0.86 -0.43 0.00 -0.03 0.00 0.00 54.58 53.27 1djb n ASN 170 Cb 0.03 0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 1djb n ASN 170 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1djb n TYR 171 N -0.88 4.32 -2.60 3.10 4.01 -0.75 -1.63 117.16 122.73 1djb n TYR 171 Ca 0.09 -2.98 -0.41 0.00 -0.16 0.00 0.00 57.90 54.44 1djb n TYR 171 Cb 0.36 -2.45 -0.04 0.00 -0.31 0.00 0.00 39.34 36.90 1djb n TYR 171 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1djb s TYR 172 N 3.01 3.68 -0.07 -0.72 5.04 -1.26 -5.03 117.35 122.00 1djb s TYR 172 Ca 0.49 1.66 0.01 0.00 -2.44 0.00 0.00 57.07 56.79 1djb s TYR 172 Cb 0.05 -3.19 0.02 0.00 0.35 0.00 0.00 41.96 39.20 1djb s TYR 172 CO 0.02 -0.29 -0.06 0.45 -1.34 0.00 0.00 175.55 174.32 1djb s SER 173 N 0.06 1.51 0.60 4.32 0.15 -1.26 -4.74 113.70 114.34 1djb s SER 173 Ca 0.49 -0.20 0.30 0.00 0.70 0.00 0.00 55.95 57.24 1djb s SER 173 Cb -0.27 -0.62 1.74 0.00 -1.71 0.00 0.00 66.02 65.16 1djb s SER 173 CO 0.32 -0.07 2.14 -0.65 1.20 0.00 0.00 173.24 176.19 1djb h PRO 174 N 7.50 0.00 -0.00 5.44 0.11 -2.00 0.25 132.00 143.30 1djb h PRO 174 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1djb h PRO 174 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1djb h PRO 174 CO 0.43 0.00 -0.02 0.36 -0.21 0.00 0.00 178.00 178.55 1djb n LYS 175 N -3.72 0.96 -4.72 1.05 -0.00 -1.26 -4.83 118.16 105.63 1djb n LYS 175 Ca 0.00 -0.21 -0.25 0.00 -0.00 0.00 0.00 58.31 57.85 1djb n LYS 175 Cb 0.26 -1.50 -0.15 0.00 -0.00 0.00 0.00 35.03 33.65 1djb n LYS 175 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1djb s SER 176 N -2.18 2.29 0.00 -5.58 0.15 0.88 -5.01 113.70 104.25 1djb s SER 176 Ca 0.39 -0.44 0.28 0.00 0.70 0.00 0.00 55.95 56.88 1djb s SER 176 Cb 0.21 -0.21 1.09 0.00 -1.71 0.00 0.00 66.02 65.40 1djb s SER 176 CO 0.40 0.18 1.77 2.29 1.20 0.00 0.00 173.24 179.07 1djb n LYS 177 N 2.16 1.48 -1.83 5.44 0.00 -1.26 -4.63 118.16 119.52 1djb n LYS 177 Ca -0.16 -0.81 -0.42 0.00 -0.00 0.00 0.00 58.31 56.92 1djb n LYS 177 Cb 0.53 -1.48 -0.03 0.00 -0.00 0.00 0.00 35.03 34.05 1djb n LYS 177 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1djb s LYS 178 N -2.08 4.03 -1.12 -1.58 1.02 -1.26 -2.78 119.74 115.98 1djb s LYS 178 Ca 0.37 2.31 -0.04 0.00 0.02 0.00 0.00 55.97 58.63 1djb s LYS 178 Cb 0.21 -4.11 0.00 0.00 -0.52 0.00 0.00 37.83 33.42 1djb s LYS 178 CO 0.36 -1.06 0.96 -0.25 -0.92 0.00 0.00 175.35 174.45 1djb n ASP 179 N 7.87 -4.19 -4.34 2.83 8.00 0.42 -4.88 116.55 122.25 1djb n ASP 179 Ca 0.20 -0.50 -0.18 0.00 0.71 0.00 0.00 54.79 55.02 1djb n ASP 179 Cb 0.42 -4.46 -0.10 0.00 -0.02 0.00 0.00 41.12 36.96 1djb n ASP 179 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1djb s THR 180 N -3.29 1.27 0.36 -3.53 -4.23 -1.12 -2.71 115.64 102.39 1djb s THR 180 Ca 0.29 -2.08 -0.12 0.00 -1.18 0.00 0.00 61.69 58.60 1djb s THR 180 Cb -0.13 -2.27 0.04 0.00 1.34 0.00 0.00 72.50 71.48 1djb s THR 180 CO 0.63 -0.41 0.69 -0.55 -0.54 0.00 0.00 174.62 174.44 1djb s SER 181 N -3.32 0.24 0.21 3.99 0.15 -0.90 -0.24 113.70 113.83 1djb s SER 181 Ca 0.26 -1.20 0.10 0.00 0.70 0.00 0.00 55.95 55.81 1djb s SER 181 Cb 0.04 0.79 -0.04 0.00 -1.71 0.00 0.00 66.02 65.09 1djb s SER 181 CO 0.08 -1.55 -0.11 0.42 1.20 0.00 0.00 173.24 173.28 1djb s THR 182 N -2.66 3.01 0.33 6.45 -4.23 -1.26 -0.08 115.64 117.20 1djb s THR 182 Ca 0.20 -1.88 0.04 0.00 -1.18 0.00 0.00 61.69 58.86 1djb s THR 182 Cb -0.04 -2.52 0.29 0.00 1.34 0.00 0.00 72.50 71.57 1djb s THR 182 CO 0.14 -0.21 1.93 -0.65 -0.54 0.00 0.00 174.62 175.29 1djb h PRO 183 N 2.66 0.85 -0.00 3.99 0.11 -1.66 -1.40 132.00 136.55 1djb h PRO 183 Ca -0.45 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1djb h PRO 183 Cb 1.22 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1djb h PRO 183 CO 0.55 0.56 0.00 0.00 -0.21 0.00 0.00 178.00 178.91 1djb h ALA 184 N 1.56 0.00 0.34 -0.75 0.00 -1.30 -0.70 119.26 118.41 1djb h ALA 184 Ca 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1djb h ALA 184 Cb 0.25 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1djb h ALA 184 CO -0.13 -0.36 -0.25 0.00 0.00 0.00 0.00 179.25 178.52 1djb h ALA 185 N 0.72 -0.58 -0.19 0.00 0.00 -1.71 0.42 119.26 117.92 1djb h ALA 185 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1djb h ALA 185 Cb 0.28 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1djb h ALA 185 CO 0.00 -0.84 -0.01 0.35 0.00 0.00 0.00 179.25 178.74 1djb h PHE 186 N -0.59 -0.04 -0.64 0.00 3.57 -1.34 -0.22 116.94 117.70 1djb h PHE 186 Ca -0.03 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1djb h PHE 186 Cb 0.50 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 1djb h PHE 186 CO -0.12 -0.04 0.34 0.78 -2.23 0.00 0.00 178.31 177.03 1djb h GLY 187 N 0.04 0.94 1.69 2.40 0.00 -0.98 0.62 103.07 107.78 1djb h GLY 187 Ca 0.09 -0.42 -0.15 0.00 0.00 0.00 0.00 47.33 46.85 1djb h GLY 187 CO -0.16 0.40 -0.62 0.50 0.00 0.00 0.00 176.54 176.66 1djb h LYS 188 N 0.89 0.32 0.01 4.80 1.57 -0.11 -2.46 116.57 121.58 1djb h LYS 188 Ca 0.23 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1djb h LYS 188 Cb 0.04 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1djb h LYS 188 CO -0.04 0.83 -0.00 1.15 -0.57 0.00 0.00 179.45 180.83 1djb h THR 189 N 0.24 1.24 -0.79 -0.16 2.02 -0.62 -1.55 112.91 113.29 1djb h THR 189 Ca -0.01 -0.72 0.09 0.00 0.77 0.00 0.00 66.41 66.55 1djb h THR 189 Cb 1.14 1.72 -0.05 0.00 -1.74 0.00 0.00 68.15 69.22 1djb h THR 189 CO 0.10 0.19 0.51 -0.07 0.37 0.00 0.00 175.52 176.62 1djb h LEU 190 N -0.31 0.66 -0.11 2.58 3.38 -0.86 0.71 115.31 121.36 1djb h LEU 190 Ca -0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1djb h LEU 190 Cb 0.31 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1djb h LEU 190 CO 0.00 0.40 0.04 -1.13 0.09 0.00 0.00 178.44 177.83 1djb h ASN 191 N 0.73 0.16 -0.44 -0.43 -1.24 -1.27 -0.97 115.58 112.13 1djb h ASN 191 Ca 0.36 -0.19 -0.11 0.00 0.71 0.00 0.00 56.30 57.07 1djb h ASN 191 Cb 0.43 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.42 1djb h ASN 191 CO -0.14 0.31 -0.12 0.11 -1.29 0.00 0.00 177.43 176.30 1djb h LYS 192 N -0.00 0.91 0.08 6.67 1.57 -0.30 0.60 116.57 126.10 1djb h LYS 192 Ca 0.04 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1djb h LYS 192 Cb 0.21 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1djb h LYS 192 CO -0.00 0.98 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.75 1djb h LEU 193 N 0.81 -0.09 0.00 2.94 3.38 -0.93 -2.80 115.31 118.61 1djb h LEU 193 Ca 0.13 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1djb h LEU 193 Cb 0.65 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1djb h LEU 193 CO 0.05 0.51 -0.44 -0.38 0.09 0.00 0.00 178.44 178.26 1djb n ILE 194 N -4.85 0.80 -0.19 1.22 5.41 -0.39 -4.18 119.36 117.18 1djb n ILE 194 Ca -0.08 0.28 0.14 0.00 1.00 0.00 0.00 62.75 64.09 1djb n ILE 194 Cb 0.29 -1.84 0.46 0.00 -0.71 0.00 0.00 39.64 37.85 1djb n ILE 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1djb h ALA 195 N -1.14 2.02 -0.55 -1.39 0.00 -1.22 -3.33 119.26 113.65 1djb h ALA 195 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 1djb h ALA 195 Cb 0.44 -0.08 -0.21 0.00 0.00 0.00 0.00 17.79 17.93 1djb h ALA 195 CO 0.00 -0.22 -0.66 -1.71 0.00 0.00 0.00 179.25 176.66 1djb n ASN 196 N -4.50 -2.03 0.00 0.00 4.05 0.21 -5.03 115.26 107.96 1djb n ASN 196 Ca 0.15 -3.16 0.00 0.00 0.45 0.00 0.00 54.58 52.02 1djb n ASN 196 Cb 0.49 1.16 0.00 0.00 1.23 0.00 0.00 39.78 42.66 1djb n ASN 196 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1djb n GLY 197 N 1.51 5.41 1.32 8.20 0.00 -1.06 -4.51 105.19 116.07 1djb n GLY 197 Ca 0.12 -1.30 0.08 0.00 0.00 0.00 0.00 46.02 44.92 1djb n GLY 197 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1djb n LYS 198 N 0.00 3.61 -2.58 1.61 0.00 -1.26 -5.00 118.16 114.53 1djb n LYS 198 Ca 0.00 -2.80 -0.35 0.00 -0.00 0.00 0.00 58.31 55.15 1djb n LYS 198 Cb 0.00 -1.85 -0.04 0.00 -0.00 0.00 0.00 35.03 33.13 1djb n LYS 198 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1djb s LEU 199 N -2.13 4.00 1.08 -5.58 1.43 -1.26 -4.96 118.68 111.25 1djb s LEU 199 Ca 0.45 1.94 -0.16 0.00 -1.03 0.00 0.00 54.13 55.34 1djb s LEU 199 Cb 0.32 -4.38 0.23 0.00 0.03 0.00 0.00 46.19 42.39 1djb s LEU 199 CO 0.18 -0.59 1.13 -0.94 0.23 0.00 0.00 176.35 176.36 1djb s SER 200 N -1.81 1.96 0.06 2.29 1.04 -1.26 -4.84 113.70 111.14 1djb s SER 200 Ca 0.62 0.80 -0.28 0.00 0.48 0.00 0.00 55.95 57.57 1djb s SER 200 Cb -0.18 -1.20 -0.17 0.00 0.10 0.00 0.00 66.02 64.57 1djb s SER 200 CO 0.22 -3.50 1.57 0.50 0.98 0.00 0.00 173.24 173.01 1djb h LYS 201 N -2.15 -0.52 -0.36 4.02 1.63 -1.99 -1.67 116.57 115.53 1djb h LYS 201 Ca -0.49 0.04 0.07 0.00 -0.85 0.00 0.00 60.65 59.42 1djb h LYS 201 Cb 1.31 0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 32.99 1djb h LYS 201 CO 0.46 -0.30 -0.05 0.93 -3.45 0.00 0.00 179.45 177.03 1djb h GLU 202 N -0.62 0.04 0.00 1.90 3.07 -1.99 -0.66 114.58 116.31 1djb h GLU 202 Ca -0.06 -0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.69 1djb h GLU 202 Cb 0.46 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 1djb h GLU 202 CO 0.09 0.03 -0.52 -0.91 -1.40 0.00 0.00 179.01 176.29 1djb h ASN 203 N 0.04 0.00 -0.12 1.42 2.35 -1.91 -1.72 115.58 115.65 1djb h ASN 203 Ca 0.17 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.89 1djb h ASN 203 Cb 0.26 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 1djb h ASN 203 CO -0.34 0.52 -0.07 0.50 -1.65 0.00 0.00 177.43 176.40 1djb h LYS 204 N 0.00 0.25 -0.71 0.81 3.64 -0.84 -1.99 116.57 117.73 1djb h LYS 204 Ca -0.01 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1djb h LYS 204 Cb 1.02 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.80 1djb h LYS 204 CO 0.07 0.61 0.45 0.87 -2.27 0.00 0.00 179.45 179.18 1djb h LYS 205 N -0.11 0.88 0.15 1.90 1.79 -1.06 -0.44 116.57 119.69 1djb h LYS 205 Ca 0.02 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1djb h LYS 205 Cb 0.54 -0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1djb h LYS 205 CO 0.02 0.58 -0.10 0.35 -1.08 0.00 0.00 179.45 179.22 1djb h PHE 206 N 0.91 -0.25 -0.31 -1.35 3.57 -1.29 0.17 116.94 118.39 1djb h PHE 206 Ca 0.27 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1djb h PHE 206 Cb -0.04 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1djb h PHE 206 CO -0.03 -0.16 0.17 1.25 -2.23 0.00 0.00 178.31 177.31 1djb h LEU 207 N -0.24 0.39 -0.78 0.59 5.85 -1.10 -2.78 115.31 117.24 1djb h LEU 207 Ca -0.01 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 1djb h LEU 207 Cb 0.21 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1djb h LEU 207 CO 0.01 0.38 0.17 -0.07 -0.34 0.00 0.00 178.44 178.58 1djb h LEU 208 N 0.38 1.03 -1.12 2.25 3.38 -0.91 -2.41 115.31 117.91 1djb h LEU 208 Ca 0.11 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1djb h LEU 208 Cb 0.08 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1djb h LEU 208 CO -0.02 0.99 0.57 0.44 0.09 0.00 0.00 178.44 180.51 1djb h ASP 209 N 1.04 1.01 -0.67 -0.43 3.32 -0.63 0.41 116.42 120.48 1djb h ASP 209 Ca 0.22 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 1djb h ASP 209 Cb 0.36 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1djb h ASP 209 CO 0.00 0.74 0.21 -0.07 -1.72 0.00 0.00 179.24 178.40 1djb h LEU 210 N 1.19 0.97 -0.40 1.55 3.38 -1.23 -1.34 115.31 119.44 1djb h LEU 210 Ca 0.32 -0.21 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 1djb h LEU 210 Cb -0.12 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 1djb h LEU 210 CO -0.07 0.92 -0.74 0.24 0.09 0.00 0.00 178.44 178.88 1djb h MET 211 N 0.97 0.37 -0.61 1.13 2.86 -0.87 -2.28 114.93 116.49 1djb h MET 211 Ca 0.21 -0.31 -0.08 0.00 -2.06 0.00 0.00 59.70 57.46 1djb h MET 211 Cb 0.30 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1djb h MET 211 CO -0.01 0.96 0.05 -0.07 1.06 0.00 0.00 176.91 178.90 1djb h LEU 212 N 0.25 1.00 -0.59 1.22 3.38 0.04 -2.60 115.31 118.01 1djb h LEU 212 Ca -0.03 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1djb h LEU 212 Cb 1.32 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1djb h LEU 212 CO 0.13 1.02 -0.28 0.59 0.09 0.00 0.00 178.44 179.99 1djb n ASN 213 N -4.20 1.20 -4.66 -0.43 3.02 -0.53 -4.86 115.26 104.81 1djb n ASN 213 Ca 0.04 -1.01 -0.43 0.00 -0.03 0.00 0.00 54.58 53.14 1djb n ASN 213 Cb 0.31 0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.63 1djb n ASN 213 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1djb n ASN 214 N -0.52 3.94 -0.14 6.41 5.15 -0.86 -4.85 115.26 124.38 1djb n ASN 214 Ca 0.12 0.84 0.14 0.00 -0.60 0.00 0.00 54.58 55.08 1djb n ASN 214 Cb 0.37 -1.50 0.58 0.00 -0.53 0.00 0.00 39.78 38.70 1djb n ASN 214 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1djb n LYS 215 N 7.51 0.75 0.20 1.20 4.76 -1.26 -4.03 118.16 127.29 1djb n LYS 215 Ca 0.22 -0.29 0.08 0.00 -2.87 0.00 0.00 58.31 55.45 1djb n LYS 215 Cb 0.39 -1.49 0.29 0.00 -1.84 0.00 0.00 35.03 32.37 1djb n LYS 215 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1djb h SER 216 N 0.71 0.00 -0.58 4.39 0.02 -1.88 -3.26 113.55 112.94 1djb h SER 216 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1djb h SER 216 Cb 0.37 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 1djb h SER 216 CO 0.00 0.27 0.00 0.61 -1.14 0.00 0.00 176.83 176.58 1djb n GLY 217 N 0.62 3.02 0.21 -3.77 0.00 -1.26 -4.58 105.19 99.44 1djb n GLY 217 Ca 0.01 -0.93 0.03 0.00 0.00 0.00 0.00 46.02 45.13 1djb n GLY 217 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1djb h ASP 218 N 3.99 0.08 -0.30 1.61 3.32 -1.81 -2.31 116.42 120.99 1djb h ASP 218 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1djb h ASP 218 Cb 2.00 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.53 1djb h ASP 218 CO 0.50 0.33 0.00 0.35 -1.72 0.00 0.00 179.24 178.70 1djb n THR 219 N -4.21 0.40 0.00 0.35 -2.24 -1.26 -2.62 114.28 104.69 1djb n THR 219 Ca -0.02 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1djb n THR 219 Cb 0.32 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1djb n THR 219 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1djb n LEU 220 N 0.38 0.00 -0.29 3.22 4.77 -0.87 -4.44 117.00 119.77 1djb n LEU 220 Ca 0.10 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.20 1djb n LEU 220 Cb 0.26 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.62 1djb n LEU 220 CO 0.07 0.00 0.95 0.40 -1.33 0.00 0.00 177.39 177.49 1djb h ILE 221 N 0.00 0.37 -0.74 -0.08 2.04 -1.80 0.65 117.51 117.94 1djb h ILE 221 Ca 0.00 -0.08 0.12 0.00 1.00 0.00 0.00 64.86 65.90 1djb h ILE 221 Cb 0.00 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.13 1djb h ILE 221 CO 0.00 0.04 0.49 0.11 0.00 0.00 0.00 178.15 178.79 1djb h LYS 222 N 0.24 0.50 0.00 2.37 1.57 -1.80 -2.00 116.57 117.45 1djb h LYS 222 Ca 0.53 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 59.16 1djb h LYS 222 Cb 1.04 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1djb h LYS 222 CO -0.62 0.33 -0.56 0.22 -0.57 0.00 0.00 179.45 178.25 1djb h ASP 223 N 0.51 0.00 0.00 0.86 3.58 0.56 -3.37 116.42 118.55 1djb h ASP 223 Ca 0.35 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.80 1djb h ASP 223 Cb 0.67 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.72 1djb h ASP 223 CO -0.12 0.56 -1.19 0.61 -2.88 0.00 0.00 179.24 176.22 1djb n GLY 224 N 0.74 -0.88 3.93 -0.78 0.00 -0.78 -4.98 105.19 102.44 1djb n GLY 224 Ca 0.00 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 1djb n GLY 224 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1djb s VAL 225 N -3.01 4.48 0.69 1.61 -7.23 -1.03 -3.39 120.40 112.52 1djb s VAL 225 Ca 0.04 -0.19 -0.16 0.00 -1.81 0.00 0.00 61.98 59.85 1djb s VAL 225 Cb 0.14 -3.68 0.02 0.00 0.56 0.00 0.00 36.38 33.42 1djb s VAL 225 CO 0.82 -0.57 1.22 -2.84 -0.31 0.00 0.00 175.10 173.42 1djb s PRO 226 N -4.63 2.36 0.12 4.82 0.02 -1.26 -4.89 135.00 131.54 1djb s PRO 226 Ca 0.47 1.80 0.13 0.00 0.02 0.00 0.00 61.00 63.42 1djb s PRO 226 Cb -0.10 -1.85 0.61 0.00 0.02 0.00 0.00 34.50 33.17 1djb s PRO 226 CO 0.41 -1.68 1.40 1.63 -0.33 0.00 0.00 177.00 178.44 1djb n LYS 227 N -2.40 0.07 0.07 5.54 4.76 -1.26 -1.22 118.16 123.72 1djb n LYS 227 Ca 0.14 0.45 -0.05 0.00 -2.87 0.00 0.00 58.31 55.98 1djb n LYS 227 Cb 0.50 -1.67 0.14 0.00 -1.84 0.00 0.00 35.03 32.16 1djb n LYS 227 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1djb h ASP 228 N 0.00 0.32 -3.22 4.39 3.32 -1.96 -3.45 116.42 115.83 1djb h ASP 228 Ca 0.00 -0.17 -0.54 0.00 0.02 0.00 0.00 57.03 56.34 1djb h ASP 228 Cb 0.14 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1djb h ASP 228 CO 0.00 0.80 0.55 -0.31 -1.72 0.00 0.00 179.24 178.56 1djb s TYR 229 N -3.92 3.43 0.00 4.55 1.51 -0.36 -3.84 117.35 118.74 1djb s TYR 229 Ca -0.05 1.38 -0.21 0.00 -1.01 0.00 0.00 57.07 57.18 1djb s TYR 229 Cb 0.12 -3.35 -0.05 0.00 -0.11 0.00 0.00 41.96 38.57 1djb s TYR 229 CO 0.80 -0.98 0.62 0.15 -1.11 0.00 0.00 175.55 175.03 1djb s LYS 230 N 1.33 4.34 -0.14 -0.62 1.02 -0.67 -4.88 119.74 120.12 1djb s LYS 230 Ca 0.56 0.78 0.01 0.00 0.02 0.00 0.00 55.97 57.35 1djb s LYS 230 Cb -0.26 -3.34 0.02 0.00 -0.52 0.00 0.00 37.83 33.72 1djb s LYS 230 CO 0.27 0.36 -0.16 0.08 -0.92 0.00 0.00 175.35 174.98 1djb s VAL 231 N -0.19 1.67 -0.38 3.17 1.01 -1.26 -0.40 120.40 124.01 1djb s VAL 231 Ca 0.32 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 1djb s VAL 231 Cb -0.19 -1.53 0.06 0.00 0.00 0.00 0.00 36.38 34.72 1djb s VAL 231 CO 0.18 0.47 0.18 0.00 0.00 0.00 0.00 175.10 175.94 1djb s ALA 232 N 1.29 3.16 0.36 5.51 0.00 0.12 -4.34 121.76 127.86 1djb s ALA 232 Ca 0.01 -2.00 0.03 0.00 0.00 0.00 0.00 51.96 50.00 1djb s ALA 232 Cb -0.14 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.50 1djb s ALA 232 CO -0.08 -1.52 0.10 0.16 0.00 0.00 0.00 175.76 174.42 1djb s ASP 233 N 1.75 2.48 -0.11 0.00 -4.77 -0.98 -0.93 116.67 114.10 1djb s ASP 233 Ca 0.01 -1.54 -0.04 0.00 -3.30 0.00 0.00 52.55 47.69 1djb s ASP 233 Cb -0.21 0.26 0.06 0.00 -1.09 0.00 0.00 42.92 41.93 1djb s ASP 233 CO 0.02 -0.79 0.23 -0.75 0.70 0.00 0.00 175.17 174.57 1djb s LYS 234 N -3.81 0.11 0.59 2.11 2.47 -0.65 -4.63 119.74 115.93 1djb s LYS 234 Ca 0.30 0.68 0.06 0.00 -1.56 0.00 0.00 55.97 55.45 1djb s LYS 234 Cb 0.05 -0.12 0.09 0.00 -1.46 0.00 0.00 37.83 36.39 1djb s LYS 234 CO 0.15 -0.29 0.82 -1.54 0.16 0.00 0.00 175.35 174.64 1djb s SER 235 N 2.34 4.98 0.01 1.43 1.04 -1.26 -2.18 113.70 120.06 1djb s SER 235 Ca 0.02 -0.62 -0.28 0.00 0.48 0.00 0.00 55.95 55.55 1djb s SER 235 Cb -0.12 0.03 0.09 0.00 0.10 0.00 0.00 66.02 66.12 1djb s SER 235 CO -0.08 -1.40 0.75 -0.83 0.98 0.00 0.00 173.24 172.67 1djb s GLY 236 N -4.63 -0.52 -0.21 7.32 0.00 -0.38 -3.69 107.32 105.22 1djb s GLY 236 Ca 0.62 1.09 -0.06 0.00 0.00 0.00 0.00 44.72 46.37 1djb s GLY 236 CO 0.40 0.57 0.43 1.62 0.00 0.00 0.00 173.10 176.12 1djb s GLN 237 N -2.44 0.34 0.88 2.90 0.74 -1.26 -0.81 119.66 120.00 1djb s GLN 237 Ca -0.02 1.00 -0.13 0.00 0.05 0.00 0.00 55.36 56.26 1djb s GLN 237 Cb -0.01 0.27 0.12 0.00 1.10 0.00 0.00 33.01 34.49 1djb s GLN 237 CO -0.03 -0.30 1.17 0.00 -0.55 0.00 0.00 175.29 175.58 1djb s ALA 238 N 2.62 2.19 0.14 1.58 0.00 -0.47 -4.81 121.76 123.01 1djb s ALA 238 Ca 0.00 -0.65 -0.06 0.00 0.00 0.00 0.00 51.96 51.25 1djb s ALA 238 Cb -0.12 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 1djb s ALA 238 CO -0.13 -2.05 1.36 0.82 0.00 0.00 0.00 175.76 175.76 1djb h ILE 239 N -1.33 1.35 -2.46 0.00 2.04 -1.63 -3.41 117.51 112.06 1djb h ILE 239 Ca -0.48 -2.15 -0.55 0.00 1.00 0.00 0.00 64.86 62.69 1djb h ILE 239 Cb 1.32 2.14 -0.07 0.00 -0.74 0.00 0.00 36.82 39.47 1djb h ILE 239 CO 0.61 0.66 -0.57 0.42 0.00 0.00 0.00 178.15 179.27 1djb s THR 240 N -3.58 4.26 -1.53 -0.27 -4.23 -1.25 -4.75 115.64 104.29 1djb s THR 240 Ca -0.07 -1.35 -0.12 0.00 -1.18 0.00 0.00 61.69 58.96 1djb s THR 240 Cb 0.09 -3.23 0.08 0.00 1.34 0.00 0.00 72.50 70.78 1djb s THR 240 CO 0.87 -0.24 0.90 -1.22 -0.54 0.00 0.00 174.62 174.40 1djb n TYR 241 N -0.72 -2.16 -2.17 3.99 4.02 0.67 -1.91 117.16 118.87 1djb n TYR 241 Ca -0.08 0.88 -0.06 0.00 -0.01 0.00 0.00 57.90 58.63 1djb n TYR 241 Cb 0.57 -3.88 -0.01 0.00 -0.02 0.00 0.00 39.34 36.00 1djb n TYR 241 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1djb n ALA 242 N -4.59 -0.71 -1.58 -0.72 0.00 -1.11 -1.83 120.51 109.97 1djb n ALA 242 Ca -0.01 0.06 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 1djb n ALA 242 Cb 0.54 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 1djb n ALA 242 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1djb n SER 243 N -1.18 2.90 -4.00 0.00 7.64 -0.81 -4.33 113.62 113.84 1djb n SER 243 Ca -0.07 -0.06 -0.22 0.00 1.01 0.00 0.00 58.87 59.53 1djb n SER 243 Cb 0.47 -1.57 -0.16 0.00 -1.01 0.00 0.00 64.21 61.94 1djb n SER 243 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1djb s ARG 244 N 7.08 1.25 0.14 1.43 6.06 -0.24 -1.37 118.95 133.31 1djb s ARG 244 Ca 1.00 -0.32 -0.07 0.00 -2.50 0.00 0.00 55.73 53.84 1djb s ARG 244 Cb -0.28 -1.11 -0.02 0.00 0.06 0.00 0.00 34.95 33.60 1djb s ARG 244 CO 0.32 0.05 0.20 -0.80 -2.50 0.00 0.00 175.30 172.57 1djb s ASN 245 N 0.49 0.14 -0.21 -2.12 0.01 0.01 -1.89 114.94 111.37 1djb s ASN 245 Ca -0.09 -0.91 -0.16 0.00 -0.71 0.00 0.00 52.86 50.99 1djb s ASN 245 Cb -0.13 0.37 0.06 0.00 0.41 0.00 0.00 41.25 41.97 1djb s ASN 245 CO 0.02 -0.81 0.54 -0.62 -1.51 0.00 0.00 177.10 174.71 1djb s ASP 246 N -2.96 -0.63 0.05 -1.22 2.15 -0.67 -1.24 116.67 112.14 1djb s ASP 246 Ca 0.16 1.12 0.07 0.00 0.43 0.00 0.00 52.55 54.33 1djb s ASP 246 Cb 0.05 1.07 -0.02 0.00 -0.30 0.00 0.00 42.92 43.72 1djb s ASP 246 CO -0.02 -0.20 -0.19 0.68 -0.17 0.00 0.00 175.17 175.27 1djb s VAL 247 N 0.83 1.53 0.18 1.11 -7.23 -0.92 -1.27 120.40 114.64 1djb s VAL 247 Ca -0.04 -1.17 -0.12 0.00 -1.81 0.00 0.00 61.98 58.84 1djb s VAL 247 Cb -0.05 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.55 1djb s VAL 247 CO -0.07 0.14 0.38 0.00 -0.31 0.00 0.00 175.10 175.24 1djb s ALA 248 N -0.83 -0.31 -0.29 1.32 0.00 0.52 -1.63 121.76 120.53 1djb s ALA 248 Ca 0.06 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.36 1djb s ALA 248 Cb -0.09 0.88 0.08 0.00 0.00 0.00 0.00 23.12 23.99 1djb s ALA 248 CO 0.02 -0.72 -0.03 -0.06 0.00 0.00 0.00 175.76 174.97 1djb s PHE 249 N -3.94 3.20 -0.20 0.00 0.08 -0.11 -0.93 117.98 116.07 1djb s PHE 249 Ca 0.15 -2.44 -0.08 0.00 0.12 0.00 0.00 56.93 54.68 1djb s PHE 249 Cb 0.02 -2.22 -0.04 0.00 -0.57 0.00 0.00 43.02 40.21 1djb s PHE 249 CO 0.00 -0.89 0.08 0.08 -0.10 0.00 0.00 175.22 174.40 1djb s VAL 250 N 1.11 4.86 -0.33 -0.44 1.01 -0.41 -0.70 120.40 125.50 1djb s VAL 250 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 1djb s VAL 250 Cb -0.19 -3.22 0.06 0.00 0.00 0.00 0.00 36.38 33.03 1djb s VAL 250 CO -0.08 0.42 0.06 -0.31 0.00 0.00 0.00 175.10 175.20 1djb s TYR 251 N 0.66 3.36 0.79 5.22 1.51 0.46 -0.58 117.35 128.77 1djb s TYR 251 Ca 0.04 -1.99 -0.12 0.00 -1.01 0.00 0.00 57.07 53.99 1djb s TYR 251 Cb -0.13 -2.43 0.07 0.00 -0.11 0.00 0.00 41.96 39.37 1djb s TYR 251 CO 0.01 -0.84 1.14 -1.25 -1.11 0.00 0.00 175.55 173.51 1djb s PRO 252 N 1.23 1.89 0.11 -1.71 0.04 -1.26 -1.67 135.00 133.63 1djb s PRO 252 Ca -0.01 1.48 -0.32 0.00 0.04 0.00 0.00 61.00 62.19 1djb s PRO 252 Cb -0.20 -1.83 -0.12 0.00 0.04 0.00 0.00 34.50 32.39 1djb s PRO 252 CO -0.02 -1.97 1.77 1.17 0.04 0.00 0.00 177.00 177.99 1djb n LYS 253 N -3.40 2.54 0.00 4.56 0.00 -1.25 -1.33 118.16 119.28 1djb n LYS 253 Ca 0.11 0.92 0.00 0.00 0.00 0.00 0.00 58.31 59.35 1djb n LYS 253 Cb 0.52 -2.77 0.00 0.00 0.00 0.00 0.00 35.03 32.77 1djb n LYS 253 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1djb n GLY 254 N 4.03 2.36 3.47 3.14 0.00 -1.26 -5.02 105.19 111.91 1djb n GLY 254 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1djb n GLY 254 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1djb s GLN 255 N -0.38 3.61 0.34 1.61 0.74 -0.44 -4.96 119.66 120.18 1djb s GLN 255 Ca 0.00 -0.52 0.18 0.00 0.05 0.00 0.00 55.36 55.07 1djb s GLN 255 Cb 0.00 -3.46 0.46 0.00 1.10 0.00 0.00 33.01 31.12 1djb s GLN 255 CO 0.00 -0.26 1.63 0.66 -0.55 0.00 0.00 175.29 176.77 1djb h SER 256 N 8.29 0.00 -3.56 6.67 4.64 -1.95 -3.38 113.55 124.26 1djb h SER 256 Ca -0.36 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.44 1djb h SER 256 Cb 1.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 1djb h SER 256 CO 0.58 0.42 0.26 -1.61 -0.87 0.00 0.00 176.83 175.61 1djb s GLU 257 N -3.35 4.64 0.71 4.77 8.01 -1.26 -5.03 118.70 127.19 1djb s GLU 257 Ca 0.02 1.28 -0.06 0.00 0.01 0.00 0.00 54.97 56.21 1djb s GLU 257 Cb 0.10 -3.32 0.07 0.00 -4.31 0.00 0.00 34.13 26.66 1djb s GLU 257 CO 0.70 0.40 1.01 -1.25 0.01 0.00 0.00 175.26 176.14 1djb s PRO 258 N -0.61 2.15 -0.19 0.39 0.04 -1.26 -4.63 135.00 130.88 1djb s PRO 258 Ca 0.40 -0.31 -0.03 0.00 0.04 0.00 0.00 61.00 61.11 1djb s PRO 258 Cb -0.23 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 1djb s PRO 258 CO 0.28 -1.26 -0.06 0.42 0.04 0.00 0.00 177.00 176.41 1djb s ILE 259 N -3.25 3.37 -0.03 0.56 1.01 0.26 -2.34 121.20 120.79 1djb s ILE 259 Ca 0.61 -0.51 -0.29 0.00 0.00 0.00 0.00 60.65 60.45 1djb s ILE 259 Cb -0.10 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 1djb s ILE 259 CO 0.45 0.46 0.95 -0.69 0.00 0.00 0.00 174.94 176.10 1djb s VAL 260 N 1.04 4.88 -0.10 2.92 1.01 0.10 -1.29 120.40 128.96 1djb s VAL 260 Ca 0.00 1.97 -0.01 0.00 0.00 0.00 0.00 61.98 63.95 1djb s VAL 260 Cb -0.15 -4.28 0.03 0.00 0.00 0.00 0.00 36.38 31.98 1djb s VAL 260 CO -0.00 0.14 -0.03 -0.22 0.00 0.00 0.00 175.10 174.99 1djb s LEU 261 N 1.16 0.87 -0.19 3.92 2.96 -0.11 -0.57 118.68 126.72 1djb s LEU 261 Ca 0.49 -0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 54.18 1djb s LEU 261 Cb -0.20 -0.62 0.00 0.00 0.50 0.00 0.00 46.19 45.88 1djb s LEU 261 CO 0.25 -0.17 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.30 1djb s VAL 262 N 1.86 2.79 -0.27 1.68 1.01 0.89 -0.36 120.40 128.00 1djb s VAL 262 Ca 0.05 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1djb s VAL 262 Cb -0.13 -2.22 0.07 0.00 0.00 0.00 0.00 36.38 34.10 1djb s VAL 262 CO -0.07 0.48 -0.03 -0.63 0.00 0.00 0.00 175.10 174.86 1djb s ILE 263 N 1.26 1.73 -0.11 2.22 1.01 -0.39 -1.85 121.20 125.07 1djb s ILE 263 Ca 0.03 -1.52 -0.03 0.00 0.00 0.00 0.00 60.65 59.13 1djb s ILE 263 Cb -0.14 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 1djb s ILE 263 CO -0.06 -0.23 0.01 -0.36 0.00 0.00 0.00 174.94 174.30 1djb s PHE 264 N 1.27 3.18 -0.01 3.97 0.08 -0.47 -1.67 117.98 124.33 1djb s PHE 264 Ca -0.02 0.14 -0.07 0.00 0.12 0.00 0.00 56.93 57.10 1djb s PHE 264 Cb -0.19 -1.86 0.00 0.00 -0.57 0.00 0.00 43.02 40.41 1djb s PHE 264 CO -0.08 0.38 0.13 0.95 -0.10 0.00 0.00 175.22 176.50 1djb s THR 265 N -0.57 0.07 0.25 0.64 -4.23 -0.79 -0.82 115.64 110.19 1djb s THR 265 Ca 0.10 -0.59 -0.15 0.00 -1.18 0.00 0.00 61.69 59.87 1djb s THR 265 Cb -0.12 -0.39 0.00 0.00 1.34 0.00 0.00 72.50 73.33 1djb s THR 265 CO 0.02 -0.32 0.52 0.54 -0.54 0.00 0.00 174.62 174.84 1djb s ASN 266 N -1.15 -0.14 0.38 3.99 2.20 -0.85 -1.07 114.94 118.31 1djb s ASN 266 Ca -0.12 -0.82 0.04 0.00 -0.94 0.00 0.00 52.86 51.01 1djb s ASN 266 Cb -0.07 0.61 -0.04 0.00 -2.00 0.00 0.00 41.25 39.75 1djb s ASN 266 CO 0.01 -1.16 0.07 -0.54 -2.94 0.00 0.00 177.10 172.54 1djb s LYS 267 N -3.98 1.84 0.39 3.55 1.02 -0.76 0.37 119.74 122.17 1djb s LYS 267 Ca 0.19 -2.09 0.24 0.00 0.02 0.00 0.00 55.97 54.34 1djb s LYS 267 Cb -0.02 -0.90 0.53 0.00 -0.52 0.00 0.00 37.83 36.92 1djb s LYS 267 CO 0.07 -0.31 1.68 -0.44 -0.92 0.00 0.00 175.35 175.43 1djb h ASP 268 N 1.88 0.00 -3.68 2.83 3.32 -1.87 -3.45 116.42 115.45 1djb h ASP 268 Ca -0.39 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 55.98 1djb h ASP 268 Cb 1.26 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.63 1djb h ASP 268 CO 0.66 0.00 -0.71 0.20 -1.72 0.00 0.00 179.24 177.68 1djb s ASN 269 N -5.73 4.58 0.25 6.45 0.01 -1.26 -4.99 114.94 114.24 1djb s ASN 269 Ca 0.07 -0.09 -0.04 0.00 -0.71 0.00 0.00 52.86 52.09 1djb s ASN 269 Cb 0.07 -1.10 0.48 0.00 0.41 0.00 0.00 41.25 41.12 1djb s ASN 269 CO 0.64 0.33 1.71 0.50 -1.51 0.00 0.00 177.10 178.76 1djb h LYS 270 N 4.94 0.34 -0.10 -0.60 3.64 -1.93 -2.47 116.57 120.40 1djb h LYS 270 Ca -0.48 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1djb h LYS 270 Cb 1.17 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1djb h LYS 270 CO 0.53 0.23 0.00 -1.13 -2.27 0.00 0.00 179.45 176.80 1djb n SER 271 N -5.08 1.46 -4.71 4.20 3.41 -1.26 -0.24 113.62 111.40 1djb n SER 271 Ca 0.15 -1.59 -0.41 0.00 -0.26 0.00 0.00 58.87 56.76 1djb n SER 271 Cb 0.46 -0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 1djb n SER 271 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1djb n ASP 272 N 0.17 2.72 -4.88 4.04 8.00 -0.93 -4.91 116.55 120.75 1djb n ASP 272 Ca 0.17 1.12 -0.34 0.00 0.71 0.00 0.00 54.79 56.45 1djb n ASP 272 Cb 0.32 -1.52 -0.05 0.00 -0.02 0.00 0.00 41.12 39.85 1djb n ASP 272 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1djb s LYS 273 N -2.23 3.62 0.61 -1.24 1.02 -1.26 -2.74 119.74 117.52 1djb s LYS 273 Ca 0.61 -0.04 -0.09 0.00 0.02 0.00 0.00 55.97 56.46 1djb s LYS 273 Cb -0.50 -3.03 -0.01 0.00 -0.52 0.00 0.00 37.83 33.77 1djb s LYS 273 CO 0.58 0.60 0.98 -2.14 -0.92 0.00 0.00 175.35 174.45 1djb s PRO 274 N -1.95 3.23 -0.18 -1.68 0.02 -1.26 -4.85 135.00 128.33 1djb s PRO 274 Ca 0.31 0.41 -0.01 0.00 0.02 0.00 0.00 61.00 61.72 1djb s PRO 274 Cb -0.13 -2.16 0.05 0.00 0.02 0.00 0.00 34.50 32.28 1djb s PRO 274 CO 0.18 -0.66 -0.02 1.21 -0.33 0.00 0.00 177.00 177.38 1djb s ASN 275 N -4.24 2.94 0.58 2.53 3.84 -1.26 -5.00 114.94 114.33 1djb s ASN 275 Ca 0.54 -0.76 0.36 0.00 0.21 0.00 0.00 52.86 53.21 1djb s ASN 275 Cb -0.11 -0.82 1.97 0.00 -0.55 0.00 0.00 41.25 41.74 1djb s ASN 275 CO 0.50 -0.23 2.11 0.44 -2.79 0.00 0.00 177.10 177.12 1djb h ASP 276 N 8.14 0.00 0.27 -4.21 5.19 -1.98 -1.86 116.42 121.98 1djb h ASP 276 Ca -0.20 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.17 1djb h ASP 276 Cb 1.11 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.61 1djb h ASP 276 CO 0.37 0.00 -0.21 0.11 -3.12 0.00 0.00 179.24 176.40 1djb h LYS 277 N 0.00 0.00 -0.03 3.56 1.79 -1.95 -2.22 116.57 117.72 1djb h LYS 277 Ca 0.00 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.50 1djb h LYS 277 Cb 0.13 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 1djb h LYS 277 CO 0.00 0.21 -0.15 1.25 -1.08 0.00 0.00 179.45 179.68 1djb h LEU 278 N 0.00 -0.44 -0.34 2.94 5.85 -1.71 0.08 115.31 121.69 1djb h LEU 278 Ca -0.00 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1djb h LEU 278 Cb 0.40 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1djb h LEU 278 CO 0.03 -0.20 0.19 0.40 -0.34 0.00 0.00 178.44 178.52 1djb h ILE 279 N -0.23 1.13 -0.40 4.05 5.03 -1.60 0.12 117.51 125.61 1djb h ILE 279 Ca 0.06 -0.32 0.08 0.00 -0.12 0.00 0.00 64.86 64.56 1djb h ILE 279 Cb 0.31 0.72 -0.07 0.00 -3.03 0.00 0.00 36.82 34.75 1djb h ILE 279 CO -0.17 0.13 -0.07 -1.28 -0.68 0.00 0.00 178.15 176.08 1djb h SER 280 N 0.43 -0.32 -0.48 1.72 0.87 -1.25 -0.20 113.55 114.33 1djb h SER 280 Ca 0.12 0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 60.69 1djb h SER 280 Cb 0.04 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 1djb h SER 280 CO -0.02 -0.11 -0.09 -0.33 -0.53 0.00 0.00 176.83 175.75 1djb h GLU 281 N 0.02 0.90 -0.49 2.24 5.08 -0.77 -1.14 114.58 120.43 1djb h GLU 281 Ca 0.20 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1djb h GLU 281 Cb 0.29 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1djb h GLU 281 CO -0.39 0.98 0.13 1.15 -1.00 0.00 0.00 179.01 179.88 1djb h THR 282 N 0.75 1.21 -0.21 1.13 2.02 -0.74 -1.24 112.91 115.82 1djb h THR 282 Ca 0.12 -0.73 -0.17 0.00 0.77 0.00 0.00 66.41 66.40 1djb h THR 282 Cb 0.64 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1djb h THR 282 CO 0.04 0.27 -0.55 0.00 0.37 0.00 0.00 175.52 175.65 1djb h ALA 283 N 1.43 0.63 -0.72 6.16 0.00 -0.80 -1.11 119.26 124.85 1djb h ALA 283 Ca 0.16 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1djb h ALA 283 Cb 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1djb h ALA 283 CO -0.00 0.69 0.28 -0.22 0.00 0.00 0.00 179.25 180.00 1djb h LYS 284 N 0.49 1.08 0.13 0.00 3.64 -0.74 -0.72 116.57 120.45 1djb h LYS 284 Ca 0.01 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 1djb h LYS 284 Cb 1.12 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1djb h LYS 284 CO 0.11 0.89 -0.06 0.77 -2.27 0.00 0.00 179.45 178.89 1djb h SER 285 N 1.03 -0.15 -0.86 4.20 0.02 -0.94 -3.10 113.55 113.76 1djb h SER 285 Ca 0.24 -0.22 0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1djb h SER 285 Cb 0.22 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.75 1djb h SER 285 CO -0.02 0.14 0.56 0.58 -1.14 0.00 0.00 176.83 176.95 1djb h VAL 286 N -0.45 1.08 0.00 2.27 2.07 -1.13 -2.23 116.25 117.86 1djb h VAL 286 Ca -0.02 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1djb h VAL 286 Cb 0.36 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1djb h VAL 286 CO 0.03 0.18 -0.02 0.24 0.02 0.00 0.00 177.57 178.02 1djb h MET 287 N 0.99 0.00 0.00 1.57 2.86 -1.05 -2.40 114.93 116.90 1djb h MET 287 Ca 0.36 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.98 1djb h MET 287 Cb 0.16 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 1djb h MET 287 CO -0.13 0.02 -0.12 0.87 1.06 0.00 0.00 176.91 178.61 1djb h LYS 288 N 0.00 0.00 0.00 1.72 1.79 -1.46 -2.37 116.57 116.25 1djb h LYS 288 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1djb h LYS 288 Cb 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1djb h LYS 288 CO 0.00 0.12 0.00 0.39 -1.08 0.00 0.00 179.45 178.88 1djb n GLU 289 N -3.55 0.16 0.00 3.15 -0.58 -0.90 -5.17 120.64 113.74 1djb n GLU 289 Ca -0.01 0.27 0.02 0.00 -0.42 0.00 0.00 57.16 57.02 1djb n GLU 289 Cb 0.26 -1.74 0.01 0.00 -0.57 0.00 0.00 31.44 29.40 1djb n GLU 289 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84