#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sdj n GLY -9 N 0.00 -1.25 0.10 0.46 0.00 -1.26 -3.16 105.19 100.08 1sdj n GLY -9 Ca 0.00 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 1sdj n GLY -9 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1sdj n ARG -8 N -1.57 0.68 -0.07 1.61 0.63 -1.26 -3.24 116.66 113.45 1sdj n ARG -8 Ca 0.05 0.29 -0.11 0.00 -0.92 0.00 0.00 57.85 57.16 1sdj n ARG -8 Cb 0.35 -1.76 0.03 0.00 0.45 0.00 0.00 32.46 31.52 1sdj n ARG -8 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1sdj h GLU -7 N 0.03 0.78 -0.50 -0.14 4.81 -2.00 -2.33 114.58 115.23 1sdj h GLU -7 Ca -0.34 -0.42 -0.02 0.00 -0.13 0.00 0.00 59.36 58.45 1sdj h GLU -7 Cb 2.02 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 31.40 1sdj h GLU -7 CO 0.08 1.05 0.23 -0.91 -0.73 0.00 0.00 179.01 178.73 1sdj h ASN -6 N 0.64 0.66 -0.04 1.04 4.21 -1.67 -2.03 115.58 118.39 1sdj h ASN -6 Ca 0.05 -0.14 -0.06 0.00 1.21 0.00 0.00 56.30 57.36 1sdj h ASN -6 Cb 0.97 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.99 1sdj h ASN -6 CO 0.09 0.61 -0.14 0.25 -1.29 0.00 0.00 177.43 176.95 1sdj h LEU -5 N 0.66 0.34 -0.67 1.61 5.85 -1.51 -1.87 115.31 119.71 1sdj h LEU -5 Ca 0.17 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 1sdj h LEU -5 Cb 0.13 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1sdj h LEU -5 CO -0.02 0.50 0.12 0.22 -0.34 0.00 0.00 178.44 178.92 1sdj h TYR -4 N 0.33 1.18 -0.19 1.25 3.20 -0.85 -3.13 116.97 118.76 1sdj h TYR -4 Ca 0.06 -0.16 -0.06 0.00 3.14 0.00 0.00 58.73 61.72 1sdj h TYR -4 Cb 0.44 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 1sdj h TYR -4 CO 0.01 0.98 -0.11 0.74 -1.64 0.00 0.00 178.16 178.14 1sdj h PHE -3 N 1.04 0.47 0.00 -3.82 0.04 -1.03 -2.67 116.94 110.97 1sdj h PHE -3 Ca 0.21 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.85 1sdj h PHE -3 Cb 0.43 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1sdj h PHE -3 CO 0.03 0.72 0.00 1.04 -0.60 0.00 0.00 178.31 179.50 1sdj n GLN -2 N -4.56 0.34 0.00 1.51 6.02 -0.74 -1.42 117.38 118.54 1sdj n GLN -2 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1sdj n GLN -2 Cb 0.33 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.50 1sdj n GLN -2 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sdj n GLY -1 N -0.19 0.97 2.85 1.08 0.00 -1.11 -4.10 105.19 104.69 1sdj n GLY -1 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1sdj n GLY -1 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1sdj n HIS 0 N -0.62 3.74 -4.72 1.61 8.25 -0.51 -4.87 115.22 118.11 1sdj n HIS 0 Ca 0.00 -3.89 -0.33 0.00 -0.26 0.00 0.00 57.72 53.24 1sdj n HIS 0 Cb 0.00 -0.44 -0.14 0.00 1.12 0.00 0.00 29.99 30.53 1sdj n HIS 0 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1sdj s LYS 2 N -3.42 3.42 0.57 -0.41 1.02 -1.26 -5.06 119.74 114.60 1sdj s LYS 2 Ca 0.48 -0.66 -0.21 0.00 0.02 0.00 0.00 55.97 55.60 1sdj s LYS 2 Cb 0.30 -2.67 -0.04 0.00 -0.52 0.00 0.00 37.83 34.90 1sdj s LYS 2 CO -0.14 0.21 1.33 -2.14 -0.92 0.00 0.00 175.35 173.69 1sdj s PRO 3 N 0.37 3.00 0.24 -1.68 0.02 -1.26 -4.69 135.00 130.99 1sdj s PRO 3 Ca -0.10 2.16 0.03 0.00 0.02 0.00 0.00 61.00 63.12 1sdj s PRO 3 Cb -0.16 -2.14 -0.05 0.00 0.02 0.00 0.00 34.50 32.17 1sdj s PRO 3 CO 0.05 -1.28 0.00 -0.65 -0.33 0.00 0.00 177.00 174.79 1sdj s GLN 4 N -3.04 1.36 -0.01 5.54 -0.21 0.03 -1.53 119.66 121.80 1sdj s GLN 4 Ca 0.74 -1.69 0.00 0.00 0.02 0.00 0.00 55.36 54.43 1sdj s GLN 4 Cb -0.39 -0.62 0.01 0.00 1.00 0.00 0.00 33.01 33.01 1sdj s GLN 4 CO 0.45 -0.11 0.01 0.54 -2.12 0.00 0.00 175.29 174.06 1sdj s VAL 5 N -3.42 0.04 0.06 1.09 0.11 0.18 -2.20 120.40 116.26 1sdj s VAL 5 Ca 0.29 0.07 0.08 0.00 -2.93 0.00 0.00 61.98 59.49 1sdj s VAL 5 Cb 0.06 -0.10 -0.03 0.00 -1.53 0.00 0.00 36.38 34.78 1sdj s VAL 5 CO 0.09 0.06 -0.20 -0.31 -3.33 0.00 0.00 175.10 171.41 1sdj s TYR 6 N 0.52 2.49 -0.22 1.54 1.51 0.54 -1.13 117.35 122.59 1sdj s TYR 6 Ca -0.04 -0.30 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 1sdj s TYR 6 Cb -0.07 -1.41 0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1sdj s TYR 6 CO -0.01 0.26 -0.14 -1.58 -1.11 0.00 0.00 175.55 172.97 1sdj s HIS 7 N -0.95 3.01 0.05 2.71 2.46 -0.22 -2.13 115.29 120.22 1sdj s HIS 7 Ca 0.15 -1.86 0.03 0.00 0.47 0.00 0.00 55.06 53.85 1sdj s HIS 7 Cb -0.10 -1.95 -0.03 0.00 -0.13 0.00 0.00 32.58 30.37 1sdj s HIS 7 CO 0.05 -0.82 -0.10 0.54 -2.47 0.00 0.00 174.74 171.95 1sdj s VAL 8 N 1.23 0.74 -0.30 0.89 0.11 -1.04 -0.35 120.40 121.69 1sdj s VAL 8 Ca -0.01 -1.19 -0.11 0.00 -2.93 0.00 0.00 61.98 57.74 1sdj s VAL 8 Cb -0.16 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 33.85 1sdj s VAL 8 CO -0.08 -0.35 0.18 -1.81 -3.33 0.00 0.00 175.10 169.71 1sdj s ASP 9 N -1.70 5.82 0.26 3.54 1.01 -0.47 -0.99 116.67 124.15 1sdj s ASP 9 Ca -0.06 -0.28 -0.07 0.00 0.71 0.00 0.00 52.55 52.86 1sdj s ASP 9 Cb -0.09 -2.08 -0.06 0.00 1.01 0.00 0.00 42.92 41.70 1sdj s ASP 9 CO 0.01 -0.14 0.54 0.00 0.21 0.00 0.00 175.17 175.79 1sdj s ALA 10 N 1.70 3.61 -0.99 5.23 0.00 0.30 -1.80 121.76 129.80 1sdj s ALA 10 Ca 0.06 -0.46 -0.05 0.00 0.00 0.00 0.00 51.96 51.51 1sdj s ALA 10 Cb -0.17 -2.34 0.01 0.00 0.00 0.00 0.00 23.12 20.62 1sdj s ALA 10 CO 0.09 0.36 0.86 1.19 0.00 0.00 0.00 175.76 178.26 1sdj n PHE 11 N -0.60 -2.06 -3.60 0.00 3.72 0.95 -1.15 117.46 114.71 1sdj n PHE 11 Ca -0.01 0.75 -0.03 0.00 -0.05 0.00 0.00 57.45 58.12 1sdj n PHE 11 Cb 0.53 -4.10 -0.01 0.00 -0.94 0.00 0.00 39.48 34.96 1sdj n PHE 11 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1sdj s THR 12 N -3.25 0.00 -0.01 4.37 -1.32 -1.08 -4.18 115.64 110.18 1sdj s THR 12 Ca 0.35 -0.10 0.01 0.00 -1.21 0.00 0.00 61.69 60.74 1sdj s THR 12 Cb -0.15 -1.36 0.02 0.00 -1.51 0.00 0.00 72.50 69.49 1sdj s THR 12 CO 0.55 0.00 0.83 -1.54 -2.21 0.00 0.00 174.62 172.24 1sdj n SER 13 N -0.24 1.19 -4.29 8.08 3.41 -1.26 -2.41 113.62 118.09 1sdj n SER 13 Ca -0.03 -1.71 -0.38 0.00 -0.26 0.00 0.00 58.87 56.49 1sdj n SER 13 Cb 0.60 -0.04 -0.12 0.00 -0.26 0.00 0.00 64.21 64.39 1sdj n SER 13 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1sdj s GLN 14 N -0.71 2.75 0.35 4.33 0.74 -1.26 -4.87 119.66 120.99 1sdj s GLN 14 Ca 0.02 -1.09 -0.25 0.00 0.05 0.00 0.00 55.36 54.10 1sdj s GLN 14 Cb 0.02 -3.44 -0.14 0.00 1.10 0.00 0.00 33.01 30.55 1sdj s GLN 14 CO 0.00 -0.61 0.60 -2.30 -0.55 0.00 0.00 175.29 172.44 1sdj n PRO 15 N 4.83 0.58 -0.89 1.67 -0.02 -1.26 -1.98 135.00 137.93 1sdj n PRO 15 Ca -0.13 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1sdj n PRO 15 Cb 0.46 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 1sdj n PRO 15 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1sdj n PHE 16 N -0.48 0.00 -3.18 6.00 3.72 -1.26 -4.98 117.46 117.28 1sdj n PHE 16 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 1sdj n PHE 16 Cb 0.35 -0.84 0.00 0.00 -0.94 0.00 0.00 39.48 38.05 1sdj n PHE 16 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1sdj n ARG 17 N -1.53 2.49 0.00 -1.08 5.12 -0.84 -4.78 116.66 116.04 1sdj n ARG 17 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1sdj n ARG 17 Cb 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.42 1sdj n ARG 17 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sdj n GLY 18 N 5.00 1.00 3.28 -0.13 0.00 0.64 -4.60 105.19 110.38 1sdj n GLY 18 Ca 0.00 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 1sdj n GLY 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sdj s ASN 19 N -4.00 3.87 0.31 1.61 3.04 -0.30 -4.74 114.94 114.74 1sdj s ASN 19 Ca 0.00 -0.44 -0.19 0.00 0.04 0.00 0.00 52.86 52.27 1sdj s ASN 19 Cb 0.00 -1.62 -0.09 0.00 -1.54 0.00 0.00 41.25 38.00 1sdj s ASN 19 CO 0.00 0.05 0.80 -0.94 -3.04 0.00 0.00 177.10 173.98 1sdj s SER 20 N 1.01 6.99 -0.02 -4.21 1.04 -1.26 0.11 113.70 117.35 1sdj s SER 20 Ca -0.01 1.49 -0.16 0.00 0.48 0.00 0.00 55.95 57.74 1sdj s SER 20 Cb -0.15 -2.45 0.03 0.00 0.10 0.00 0.00 66.02 63.55 1sdj s SER 20 CO -0.02 -0.13 0.35 0.00 0.98 0.00 0.00 173.24 174.42 1sdj s ALA 21 N -1.81 -0.89 0.22 5.32 0.00 -0.16 -4.17 121.76 120.28 1sdj s ALA 21 Ca 0.51 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.95 1sdj s ALA 21 Cb -0.13 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1sdj s ALA 21 CO 0.19 -0.27 0.39 0.20 0.00 0.00 0.00 175.76 176.27 1sdj s GLY 22 N -1.24 1.60 -0.04 0.00 0.00 -0.83 -2.48 107.32 104.33 1sdj s GLY 22 Ca -0.13 -0.95 -0.01 0.00 0.00 0.00 0.00 44.72 43.63 1sdj s GLY 22 CO 0.05 -0.92 0.04 0.14 0.00 0.00 0.00 173.10 172.40 1sdj s VAL 23 N -1.94 -0.03 -0.04 1.40 1.01 -0.91 0.18 120.40 120.08 1sdj s VAL 23 Ca 0.37 0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.73 1sdj s VAL 23 Cb -0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 1sdj s VAL 23 CO 0.30 0.16 -0.21 -0.69 0.00 0.00 0.00 175.10 174.66 1sdj s VAL 24 N 1.80 1.73 -0.13 2.92 1.01 -0.13 -0.34 120.40 127.26 1sdj s VAL 24 Ca 0.00 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 1sdj s VAL 24 Cb -0.12 -1.46 0.07 0.00 0.00 0.00 0.00 36.38 34.86 1sdj s VAL 24 CO -0.03 0.49 0.69 0.72 0.00 0.00 0.00 175.10 176.97 1sdj s PHE 25 N -0.20 -0.70 0.45 5.22 -0.12 -0.93 -1.60 117.98 120.10 1sdj s PHE 25 Ca -0.00 1.42 -0.16 0.00 -0.05 0.00 0.00 56.93 58.14 1sdj s PHE 25 Cb -0.11 0.35 -0.08 0.00 -0.63 0.00 0.00 43.02 42.55 1sdj s PHE 25 CO 0.02 -0.52 0.91 -2.14 -0.05 0.00 0.00 175.22 173.43 1sdj s PRO 26 N -0.60 3.98 0.00 1.99 0.02 -1.26 -0.79 135.00 138.34 1sdj s PRO 26 Ca -0.07 0.86 0.08 0.00 0.02 0.00 0.00 61.00 61.89 1sdj s PRO 26 Cb -0.02 -2.23 0.03 0.00 0.02 0.00 0.00 34.50 32.30 1sdj s PRO 26 CO 0.07 -0.13 0.65 0.00 -0.33 0.00 0.00 177.00 177.26 1sdj n ALA 27 N -1.19 2.63 -0.26 -1.55 0.00 -0.74 -4.65 120.51 114.74 1sdj n ALA 27 Ca 0.05 -0.47 0.15 0.00 0.00 0.00 0.00 53.44 53.17 1sdj n ALA 27 Cb 0.54 -0.29 0.43 0.00 0.00 0.00 0.00 19.45 20.13 1sdj n ALA 27 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1sdj h ASP 28 N 1.24 0.55 -0.77 0.00 5.19 -1.75 -0.33 116.42 120.55 1sdj h ASP 28 Ca 0.00 0.04 -0.45 0.00 -0.62 0.00 0.00 57.03 56.00 1sdj h ASP 28 Cb 0.31 -0.06 -0.23 0.00 0.18 0.00 0.00 39.33 39.53 1sdj h ASP 28 CO 0.00 0.25 0.58 -3.20 -3.12 0.00 0.00 179.24 173.75 1sdj n ASN 29 N -4.55 5.11 -4.18 6.45 4.05 -1.26 -4.90 115.26 115.98 1sdj n ASN 29 Ca 0.18 -3.34 -0.20 0.00 0.45 0.00 0.00 54.58 51.67 1sdj n ASN 29 Cb 0.56 -0.87 -0.13 0.00 1.23 0.00 0.00 39.78 40.58 1sdj n ASN 29 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1sdj s LEU 30 N -2.71 2.23 0.22 1.20 1.43 -0.14 -4.51 118.68 116.41 1sdj s LEU 30 Ca 0.47 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1sdj s LEU 30 Cb 0.38 -0.62 -0.05 0.00 0.03 0.00 0.00 46.19 45.93 1sdj s LEU 30 CO 0.05 0.00 0.44 -0.94 0.23 0.00 0.00 176.35 176.12 1sdj s SER 31 N -1.47 6.41 0.39 2.29 1.04 -1.26 -4.97 113.70 116.12 1sdj s SER 31 Ca 0.01 0.50 0.18 0.00 0.48 0.00 0.00 55.95 57.12 1sdj s SER 31 Cb -0.09 -2.05 1.11 0.00 0.10 0.00 0.00 66.02 65.09 1sdj s SER 31 CO 0.02 -0.08 1.74 -0.08 0.98 0.00 0.00 173.24 175.82 1sdj h GLU 32 N 1.95 0.37 -0.01 4.02 4.22 -2.01 0.15 114.58 123.27 1sdj h GLU 32 Ca -0.48 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 58.94 1sdj h GLU 32 Cb 1.19 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1sdj h GLU 32 CO 0.68 0.25 -0.00 0.00 -2.18 0.00 0.00 179.01 177.75 1sdj h ALA 33 N 1.65 0.01 0.00 2.92 0.00 -2.05 -1.37 119.26 120.41 1sdj h ALA 33 Ca 0.64 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1sdj h ALA 33 Cb 1.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1sdj h ALA 33 CO -0.36 -0.33 0.00 1.04 0.00 0.00 0.00 179.25 179.60 1sdj n GLN 34 N -4.93 0.06 0.00 0.00 6.02 0.52 -1.00 117.38 118.06 1sdj n GLN 34 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1sdj n GLN 34 Cb 0.18 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.17 1sdj n GLN 34 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1sdj n GLN 36 N 0.74 0.00 0.03 -1.09 -0.06 -0.52 -0.97 117.38 115.50 1sdj n GLN 36 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.98 1sdj n GLN 36 Cb 0.02 0.00 0.23 0.00 -4.06 0.00 0.00 30.24 26.43 1sdj n GLN 36 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 1sdj h LEU 37 N 0.00 0.45 -0.21 1.69 3.38 -1.33 -1.61 115.31 117.68 1sdj h LEU 37 Ca 0.00 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.68 1sdj h LEU 37 Cb 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1sdj h LEU 37 CO 0.00 0.68 -0.44 0.40 0.09 0.00 0.00 178.44 179.16 1sdj h ILE 38 N 0.41 1.32 -0.41 1.22 2.04 -1.32 -1.48 117.51 119.28 1sdj h ILE 38 Ca 0.06 -1.67 -0.04 0.00 1.00 0.00 0.00 64.86 64.22 1sdj h ILE 38 Cb 0.61 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 1sdj h ILE 38 CO 0.04 0.52 0.10 0.00 0.00 0.00 0.00 178.15 178.82 1sdj h ALA 39 N 0.61 1.41 -0.23 1.87 0.00 -1.79 -0.05 119.26 121.07 1sdj h ALA 39 Ca 0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 1sdj h ALA 39 Cb 1.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1sdj h ALA 39 CO 0.10 0.43 -0.40 -0.09 0.00 0.00 0.00 179.25 179.29 1sdj h ARG 40 N 0.60 0.54 -0.03 0.00 2.43 -1.17 -2.09 114.38 114.65 1sdj h ARG 40 Ca 0.14 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1sdj h ARG 40 Cb 0.23 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1sdj h ARG 40 CO -0.00 0.85 -0.01 1.49 -1.51 0.00 0.00 179.97 180.78 1sdj h GLU 41 N 0.45 0.06 -0.73 0.20 4.57 -0.16 -3.25 114.58 115.71 1sdj h GLU 41 Ca 0.04 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 1sdj h GLU 41 Cb 0.89 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.45 1sdj h GLU 41 CO 0.08 0.45 0.21 -0.07 -1.18 0.00 0.00 179.01 178.50 1sdj h LEU 42 N -0.32 1.08 0.00 1.64 3.38 -1.08 -3.47 115.31 116.54 1sdj h LEU 42 Ca 0.01 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1sdj h LEU 42 Cb 0.43 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1sdj h LEU 42 CO 0.00 1.01 0.00 0.61 0.09 0.00 0.00 178.44 180.16 1sdj n GLY 43 N -0.74 0.83 3.71 0.83 0.00 -0.79 -5.04 105.19 104.00 1sdj n GLY 43 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1sdj n GLY 43 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sdj s HIS 44 N -3.35 2.16 0.54 1.61 3.76 -1.26 -4.84 115.29 113.91 1sdj s HIS 44 Ca 0.00 1.49 0.25 0.00 -0.15 0.00 0.00 55.06 56.65 1sdj s HIS 44 Cb 0.00 -3.16 1.42 0.00 1.11 0.00 0.00 32.58 31.95 1sdj s HIS 44 CO 0.00 -2.40 2.01 0.66 -0.85 0.00 0.00 174.74 174.16 1sdj h SER 45 N -1.56 0.00 -3.96 1.40 4.64 -1.93 -3.38 113.55 108.75 1sdj h SER 45 Ca -0.47 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.93 1sdj h SER 45 Cb 1.26 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.12 1sdj h SER 45 CO 0.50 0.00 0.54 -1.83 -0.87 0.00 0.00 176.83 175.17 1sdj s GLU 46 N -4.96 0.57 -0.08 4.77 1.03 -1.26 -4.33 118.70 114.44 1sdj s GLU 46 Ca -0.05 0.21 0.04 0.00 0.03 0.00 0.00 54.97 55.20 1sdj s GLU 46 Cb 0.19 0.27 -0.01 0.00 -0.80 0.00 0.00 34.13 33.78 1sdj s GLU 46 CO 0.70 -0.16 -0.20 0.99 -1.33 0.00 0.00 175.26 175.26 1sdj s THR 47 N -0.90 2.51 -0.11 1.83 2.01 0.20 -1.96 115.64 119.21 1sdj s THR 47 Ca -0.01 -0.89 -0.11 0.00 0.31 0.00 0.00 61.69 61.00 1sdj s THR 47 Cb -0.01 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 1sdj s THR 47 CO 0.00 0.56 0.23 0.00 -0.69 0.00 0.00 174.62 174.73 1sdj s ALA 48 N -0.04 3.75 -0.18 7.40 0.00 0.13 -1.36 121.76 131.46 1sdj s ALA 48 Ca -0.05 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 1sdj s ALA 48 Cb -0.14 -2.18 -0.00 0.00 0.00 0.00 0.00 23.12 20.79 1sdj s ALA 48 CO 0.05 0.41 -0.13 -0.06 0.00 0.00 0.00 175.76 176.03 1sdj s PHE 49 N -0.54 2.84 -0.22 0.00 0.40 0.53 -0.95 117.98 120.03 1sdj s PHE 49 Ca 0.16 -1.07 -0.20 0.00 -0.60 0.00 0.00 56.93 55.23 1sdj s PHE 49 Cb -0.13 -1.95 -0.02 0.00 0.51 0.00 0.00 43.02 41.42 1sdj s PHE 49 CO 0.05 -0.52 0.60 -0.51 0.70 0.00 0.00 175.22 175.54 1sdj s LEU 50 N 1.03 4.11 0.38 -0.37 1.02 -0.63 -1.39 118.68 122.84 1sdj s LEU 50 Ca -0.01 0.74 0.08 0.00 0.02 0.00 0.00 54.13 54.96 1sdj s LEU 50 Cb -0.15 -2.83 -0.06 0.00 0.02 0.00 0.00 46.19 43.17 1sdj s LEU 50 CO -0.03 -0.29 0.05 -0.76 0.02 0.00 0.00 176.35 175.34 1sdj s LEU 51 N 2.09 2.97 0.40 1.79 2.01 0.37 -1.80 118.68 126.50 1sdj s LEU 51 Ca 0.26 -1.13 -0.24 0.00 0.01 0.00 0.00 54.13 53.04 1sdj s LEU 51 Cb -0.16 -1.23 -0.10 0.00 0.01 0.00 0.00 46.19 44.72 1sdj s LEU 51 CO 0.09 -0.37 1.00 -2.28 1.01 0.00 0.00 176.35 175.81 1sdj s HIS 52 N -2.60 3.35 -0.01 0.29 5.65 -1.26 -1.73 115.29 118.98 1sdj s HIS 52 Ca 0.36 1.66 0.03 0.00 0.25 0.00 0.00 55.06 57.36 1sdj s HIS 52 Cb 0.04 -3.01 -0.00 0.00 -1.18 0.00 0.00 32.58 28.42 1sdj s HIS 52 CO 0.20 -0.34 -0.09 0.45 -0.65 0.00 0.00 174.74 174.31 1sdj s SER 53 N -1.74 1.06 -0.08 9.88 0.15 -1.26 -4.46 113.70 117.25 1sdj s SER 53 Ca 0.58 -0.16 -0.16 0.00 0.70 0.00 0.00 55.95 56.90 1sdj s SER 53 Cb -0.18 -0.15 -0.29 0.00 -1.71 0.00 0.00 66.02 63.69 1sdj s SER 53 CO 0.23 0.10 0.66 0.44 1.20 0.00 0.00 173.24 175.87 1sdj h ASP 54 N 6.02 0.45 0.20 5.45 3.32 -1.97 -3.40 116.42 126.49 1sdj h ASP 54 Ca -0.31 -0.89 -0.35 0.00 0.02 0.00 0.00 57.03 55.51 1sdj h ASP 54 Cb 1.18 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 1sdj h ASP 54 CO 0.49 1.60 -2.02 0.47 -1.72 0.00 0.00 179.24 178.06 1sdj n ASP 55 N -3.91 1.51 -5.02 6.45 8.00 -1.26 -4.97 116.55 117.35 1sdj n ASP 55 Ca -0.22 0.20 -0.18 0.00 0.71 0.00 0.00 54.79 55.29 1sdj n ASP 55 Cb 0.92 -0.37 0.03 0.00 -0.02 0.00 0.00 41.12 41.69 1sdj n ASP 55 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1sdj s SER 56 N -6.52 5.36 0.36 -2.24 0.01 -1.26 -5.02 113.70 104.39 1sdj s SER 56 Ca -0.18 -0.65 0.18 0.00 1.31 0.00 0.00 55.95 56.62 1sdj s SER 56 Cb 0.07 -0.17 0.61 0.00 0.21 0.00 0.00 66.02 66.75 1sdj s SER 56 CO 0.77 -1.05 1.70 0.44 0.41 0.00 0.00 173.24 175.51 1sdj h ASP 57 N 0.42 0.00 -4.09 2.44 3.32 -1.23 -3.41 116.42 113.88 1sdj h ASP 57 Ca -0.35 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.75 1sdj h ASP 57 Cb 1.28 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.61 1sdj h ASP 57 CO 0.43 0.39 0.47 0.54 -1.72 0.00 0.00 179.24 179.35 1sdj s VAL 58 N -3.54 0.00 -0.10 -1.35 0.11 -1.10 -4.72 120.40 109.70 1sdj s VAL 58 Ca 0.00 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1sdj s VAL 58 Cb 0.11 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.93 1sdj s VAL 58 CO 0.69 0.00 -0.11 -0.60 -3.33 0.00 0.00 175.10 171.75 1sdj s ARG 59 N -0.84 3.07 -0.03 1.54 3.52 -0.71 -0.86 118.95 124.64 1sdj s ARG 59 Ca -0.02 -0.65 0.04 0.00 -0.13 0.00 0.00 55.73 54.97 1sdj s ARG 59 Cb -0.01 -2.59 -0.00 0.00 -1.56 0.00 0.00 34.95 30.79 1sdj s ARG 59 CO 0.01 0.40 -0.15 0.42 -0.81 0.00 0.00 175.30 175.18 1sdj s ILE 60 N -0.13 1.22 -0.03 4.11 1.01 -0.62 0.14 121.20 126.90 1sdj s ILE 60 Ca -0.00 -0.62 0.06 0.00 0.00 0.00 0.00 60.65 60.09 1sdj s ILE 60 Cb -0.13 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.27 1sdj s ILE 60 CO 0.03 0.35 -0.21 -0.13 0.00 0.00 0.00 174.94 174.98 1sdj s ARG 61 N -0.05 2.25 -0.12 2.79 0.52 -0.48 -4.50 118.95 119.35 1sdj s ARG 61 Ca -0.01 -0.84 0.01 0.00 -0.52 0.00 0.00 55.73 54.37 1sdj s ARG 61 Cb -0.09 -2.17 -0.01 0.00 0.52 0.00 0.00 34.95 33.20 1sdj s ARG 61 CO 0.01 0.58 -0.18 0.71 0.02 0.00 0.00 175.30 176.45 1sdj s TYR 62 N -0.66 2.71 -0.03 -0.53 1.51 -1.25 -0.35 117.35 118.75 1sdj s TYR 62 Ca 0.11 -0.89 0.05 0.00 -1.01 0.00 0.00 57.07 55.33 1sdj s TYR 62 Cb -0.10 -1.81 -0.01 0.00 -0.11 0.00 0.00 41.96 39.93 1sdj s TYR 62 CO -0.00 -0.35 -0.19 -0.06 -1.11 0.00 0.00 175.55 173.84 1sdj s PHE 63 N 0.46 1.76 0.70 2.71 0.40 -0.46 -0.32 117.98 123.22 1sdj s PHE 63 Ca -0.12 -0.43 -0.03 0.00 -0.60 0.00 0.00 56.93 55.74 1sdj s PHE 63 Cb -0.17 -1.16 0.09 0.00 0.51 0.00 0.00 43.02 42.30 1sdj s PHE 63 CO 0.05 -0.11 0.98 0.99 0.70 0.00 0.00 175.22 177.83 1sdj s THR 64 N -0.20 2.29 -1.14 0.64 2.01 0.07 -0.63 115.64 118.68 1sdj s THR 64 Ca 0.01 -0.47 0.10 0.00 0.31 0.00 0.00 61.69 61.65 1sdj s THR 64 Cb -0.10 -2.82 0.12 0.00 0.01 0.00 0.00 72.50 69.71 1sdj s THR 64 CO 0.01 0.00 1.30 -2.65 -0.69 0.00 0.00 174.62 172.59 1sdj n PRO 65 N -2.82 0.05 0.00 4.92 -0.02 -1.26 -3.84 135.00 132.02 1sdj n PRO 65 Ca 0.11 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1sdj n PRO 65 Cb 0.60 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 1sdj n PRO 65 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1sdj n THR 66 N -1.43 0.00 -3.68 3.45 -2.24 -1.26 -4.13 114.28 104.99 1sdj n THR 66 Ca 0.03 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.71 1sdj n THR 66 Cb 0.11 0.16 -0.05 0.00 -2.10 0.00 0.00 70.33 68.45 1sdj n THR 66 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1sdj s VAL 67 N -1.04 0.08 0.45 2.28 0.11 -1.25 -5.14 120.40 115.90 1sdj s VAL 67 Ca 0.00 -0.67 -0.20 0.00 -2.93 0.00 0.00 61.98 58.18 1sdj s VAL 67 Cb 0.00 -1.15 -0.10 0.00 -1.53 0.00 0.00 36.38 33.60 1sdj s VAL 67 CO 0.00 -0.37 0.96 -0.70 -3.33 0.00 0.00 175.10 171.67 1sdj s GLU 68 N -3.52 4.14 0.05 1.54 2.12 -1.26 -0.75 118.70 121.01 1sdj s GLU 68 Ca 0.01 1.12 0.05 0.00 0.36 0.00 0.00 54.97 56.52 1sdj s GLU 68 Cb 0.02 -2.16 -0.02 0.00 0.26 0.00 0.00 34.13 32.22 1sdj s GLU 68 CO -0.10 -0.11 -0.15 0.08 -0.54 0.00 0.00 175.26 174.44 1sdj s VAL 69 N -2.23 1.22 0.10 3.70 1.01 0.56 -4.88 120.40 119.88 1sdj s VAL 69 Ca 0.62 -1.10 -0.25 0.00 0.00 0.00 0.00 61.98 61.25 1sdj s VAL 69 Cb -0.10 -1.11 -0.10 0.00 0.00 0.00 0.00 36.38 35.07 1sdj s VAL 69 CO 0.16 -0.01 1.68 -0.65 0.00 0.00 0.00 175.10 176.29 1sdj h PRO 70 N 4.77 -0.26 -3.10 2.72 0.11 -1.94 -3.32 132.00 130.98 1sdj h PRO 70 Ca -0.40 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.69 1sdj h PRO 70 Cb 1.18 0.06 -0.13 0.00 0.11 0.00 0.00 31.00 32.22 1sdj h PRO 70 CO 0.43 -0.17 0.08 -1.50 -0.21 0.00 0.00 178.00 176.62 1sdj s ILE 71 N -6.14 0.03 -0.10 4.15 2.07 -1.26 -3.48 121.20 116.48 1sdj s ILE 71 Ca -0.15 -0.26 -0.05 0.00 -1.41 0.00 0.00 60.65 58.79 1sdj s ILE 71 Cb 0.07 -1.06 0.05 0.00 0.13 0.00 0.00 42.46 41.65 1sdj s ILE 71 CO 0.66 -0.14 0.23 0.00 -1.91 0.00 0.00 174.94 173.78 1sdj h GLY 73 N 7.24 -0.53 1.43 0.00 0.00 -1.98 -1.68 103.07 107.55 1sdj h GLY 73 Ca -0.41 0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.15 1sdj h GLY 73 CO 0.38 -0.19 0.32 1.12 0.00 0.00 0.00 176.54 178.17 1sdj h HIS 74 N -0.48 0.53 0.00 5.60 2.07 -1.97 -0.67 115.15 120.24 1sdj h HIS 74 Ca -0.05 0.01 -0.10 0.00 -2.85 0.00 0.00 60.37 57.38 1sdj h HIS 74 Cb 0.37 -0.18 -0.01 0.00 2.57 0.00 0.00 27.41 30.15 1sdj h HIS 74 CO 0.13 0.32 -0.48 0.00 -3.07 0.00 0.00 177.93 174.83 1sdj h ALA 75 N 1.72 1.17 -0.14 6.11 0.00 -1.91 -1.65 119.26 124.55 1sdj h ALA 75 Ca 0.19 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1sdj h ALA 75 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sdj h ALA 75 CO -0.05 0.60 -0.38 1.15 0.00 0.00 0.00 179.25 180.57 1sdj h THR 76 N 0.00 1.36 -0.56 0.00 2.02 -0.16 -0.02 112.91 115.54 1sdj h THR 76 Ca -0.00 -1.66 -0.08 0.00 0.77 0.00 0.00 66.41 65.43 1sdj h THR 76 Cb 0.86 2.04 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 1sdj h THR 76 CO 0.06 0.50 0.04 -0.37 0.37 0.00 0.00 175.52 176.12 1sdj h VAL 77 N 0.13 1.26 -0.56 3.16 -1.51 -1.24 -1.45 116.25 116.04 1sdj h VAL 77 Ca -0.01 -1.06 0.04 0.00 -1.23 0.00 0.00 66.70 64.44 1sdj h VAL 77 Cb 0.99 0.84 -0.05 0.00 -2.13 0.00 0.00 31.29 30.95 1sdj h VAL 77 CO 0.08 0.38 0.31 0.00 -1.23 0.00 0.00 177.57 177.11 1sdj h ALA 78 N 0.98 0.73 -0.12 5.19 0.00 -1.25 0.71 119.26 125.50 1sdj h ALA 78 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1sdj h ALA 78 Cb 0.49 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1sdj h ALA 78 CO 0.02 -0.02 0.07 0.00 0.00 0.00 0.00 179.25 179.32 1sdj h ALA 79 N 1.29 0.15 0.00 0.00 0.00 -0.57 -1.52 119.26 118.60 1sdj h ALA 79 Ca 0.24 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1sdj h ALA 79 Cb 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1sdj h ALA 79 CO -0.15 -0.38 -0.23 0.45 0.00 0.00 0.00 179.25 178.94 1sdj h HIS 80 N 0.14 0.00 -0.12 0.00 3.86 -1.00 -0.91 115.15 117.12 1sdj h HIS 80 Ca 0.05 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.21 1sdj h HIS 80 Cb -0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.46 1sdj h HIS 80 CO -0.08 0.23 -0.10 -0.92 0.86 0.00 0.00 177.93 177.92 1sdj h TYR 81 N 0.00 0.34 -0.67 2.45 3.20 -0.58 -0.14 116.97 121.56 1sdj h TYR 81 Ca -0.00 -0.10 -0.06 0.00 3.14 0.00 0.00 58.73 61.71 1sdj h TYR 81 Cb 0.86 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 1sdj h TYR 81 CO 0.00 0.67 0.17 0.28 -1.64 0.00 0.00 178.16 177.64 1sdj h VAL 82 N -0.09 1.26 -0.48 1.81 2.07 -1.13 -1.21 116.25 118.48 1sdj h VAL 82 Ca 0.02 -0.94 -0.07 0.00 0.82 0.00 0.00 66.70 66.54 1sdj h VAL 82 Cb 0.61 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1sdj h VAL 82 CO 0.03 0.36 0.01 -0.09 0.02 0.00 0.00 177.57 177.90 1sdj h ARG 83 N 1.00 0.78 -0.23 1.57 2.43 -1.08 -0.88 114.38 117.97 1sdj h ARG 83 Ca 0.21 -0.20 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 1sdj h ARG 83 Cb 0.35 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1sdj h ARG 83 CO 0.00 0.78 -0.33 0.00 -1.51 0.00 0.00 179.97 178.91 1sdj h ALA 84 N 1.28 0.34 0.63 2.80 0.00 -0.68 -1.94 119.26 121.70 1sdj h ALA 84 Ca 0.15 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1sdj h ALA 84 Cb 0.43 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1sdj h ALA 84 CO 0.02 0.39 -0.35 0.87 0.00 0.00 0.00 179.25 180.17 1sdj h LYS 85 N 0.32 -0.88 -0.59 0.00 1.79 -1.02 0.58 116.57 116.76 1sdj h LYS 85 Ca 0.02 0.06 0.06 0.00 -2.18 0.00 0.00 60.65 58.61 1sdj h LYS 85 Cb 0.92 0.20 -0.05 0.00 -1.58 0.00 0.00 32.23 31.71 1sdj h LYS 85 CO 0.08 -0.59 0.29 0.28 -1.08 0.00 0.00 179.45 178.43 1sdj h VAL 86 N -0.92 0.92 -0.01 0.50 2.07 -1.22 -2.63 116.25 114.96 1sdj h VAL 86 Ca -0.08 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1sdj h VAL 86 Cb 0.73 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1sdj h VAL 86 CO 0.10 0.10 -0.38 0.18 0.02 0.00 0.00 177.57 177.59 1sdj n LEU 87 N -4.87 0.94 -3.66 2.57 4.77 -0.73 -4.96 117.00 111.07 1sdj n LEU 87 Ca 0.07 -0.23 -0.21 0.00 -0.03 0.00 0.00 56.01 55.60 1sdj n LEU 87 Cb 0.18 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 1sdj n LEU 87 CO 0.27 0.19 0.01 0.61 -1.33 0.00 0.00 177.39 177.14 1sdj n GLY 88 N 1.40 -0.34 0.37 -0.72 0.00 0.20 -4.90 105.19 101.19 1sdj n GLY 88 Ca 0.10 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.34 1sdj n GLY 88 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sdj h LEU 89 N -1.95 0.76 -0.28 0.99 3.38 -1.68 -3.50 115.31 113.03 1sdj h LEU 89 Ca -0.60 0.03 0.23 0.00 0.09 0.00 0.00 57.88 57.63 1sdj h LEU 89 Cb 1.36 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.89 1sdj h LEU 89 CO 0.56 0.43 -0.58 0.61 0.09 0.00 0.00 178.44 179.55 1sdj n GLY 90 N -1.41 -2.41 3.67 0.83 0.00 -1.26 -4.76 105.19 99.84 1sdj n GLY 90 Ca 0.16 -1.25 -0.52 0.00 0.00 0.00 0.00 46.02 44.41 1sdj n GLY 90 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sdj n ASN 91 N -3.65 2.55 -3.71 1.61 3.02 -1.26 -4.71 115.26 109.10 1sdj n ASN 91 Ca -0.03 1.06 0.01 0.00 -0.03 0.00 0.00 54.58 55.60 1sdj n ASN 91 Cb 0.43 -1.24 0.01 0.00 -0.61 0.00 0.00 39.78 38.36 1sdj n ASN 91 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sdj s THR 93 N -2.13 0.86 0.19 0.00 -4.23 -1.26 -1.31 115.64 107.76 1sdj s THR 93 Ca 0.25 -0.38 0.03 0.00 -1.18 0.00 0.00 61.69 60.42 1sdj s THR 93 Cb 0.00 -0.78 -0.05 0.00 1.34 0.00 0.00 72.50 73.02 1sdj s THR 93 CO -0.00 0.27 -0.03 0.27 -0.54 0.00 0.00 174.62 174.59 1sdj s ILE 94 N 0.35 0.97 -0.10 2.99 -4.36 -0.04 -4.95 121.20 116.06 1sdj s ILE 94 Ca -0.06 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.30 1sdj s ILE 94 Cb -0.11 -2.12 -0.03 0.00 1.25 0.00 0.00 42.46 41.45 1sdj s ILE 94 CO 0.01 -0.50 -0.09 0.26 0.24 0.00 0.00 174.94 174.86 1sdj s TRP 95 N -3.46 2.89 0.34 1.37 0.52 -1.26 0.08 118.94 119.41 1sdj s TRP 95 Ca 0.23 -0.23 0.09 0.00 0.02 0.00 0.00 56.10 56.22 1sdj s TRP 95 Cb 0.05 -1.78 -0.05 0.00 -1.15 0.00 0.00 33.47 30.54 1sdj s TRP 95 CO 0.05 0.11 0.04 1.14 0.02 0.00 0.00 176.95 178.30 1sdj s GLN 96 N -0.28 2.15 0.01 4.98 -2.07 -0.40 -0.72 119.66 123.33 1sdj s GLN 96 Ca 0.03 -1.69 0.03 0.00 -1.82 0.00 0.00 55.36 51.92 1sdj s GLN 96 Cb -0.13 -1.99 -0.01 0.00 -1.09 0.00 0.00 33.01 29.79 1sdj s GLN 96 CO 0.03 0.14 -0.10 0.99 -1.32 0.00 0.00 175.29 175.03 1sdj s THR 97 N -2.49 0.76 0.33 3.63 2.01 -0.04 -2.52 115.64 117.32 1sdj s THR 97 Ca 0.35 -0.59 -0.18 0.00 0.31 0.00 0.00 61.69 61.59 1sdj s THR 97 Cb -0.01 -0.67 0.06 0.00 0.01 0.00 0.00 72.50 71.89 1sdj s THR 97 CO 0.20 0.09 0.85 -0.94 -0.69 0.00 0.00 174.62 174.13 1sdj s SER 98 N -0.56 -0.01 0.58 3.53 1.04 -0.24 -1.59 113.70 116.46 1sdj s SER 98 Ca 0.01 -1.00 0.34 0.00 0.48 0.00 0.00 55.95 55.79 1sdj s SER 98 Cb -0.05 0.75 1.86 0.00 0.10 0.00 0.00 66.02 68.68 1sdj s SER 98 CO 0.00 -1.49 2.04 -0.07 0.98 0.00 0.00 173.24 174.70 1sdj h LEU 99 N 2.00 0.00 -0.53 2.42 4.07 -1.82 0.65 115.31 122.10 1sdj h LEU 99 Ca -0.30 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.66 1sdj h LEU 99 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 1sdj h LEU 99 CO 0.39 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.75 1sdj n ALA 100 N -1.93 2.62 0.00 1.53 0.00 -1.24 -4.98 120.51 116.50 1sdj n ALA 100 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1sdj n ALA 100 Cb 0.18 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1sdj n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sdj n GLY 101 N 1.07 0.30 3.70 0.00 0.00 0.23 -4.93 105.19 105.55 1sdj n GLY 101 Ca 0.20 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 1sdj n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sdj s LYS 102 N 0.00 3.28 0.02 1.61 1.02 -1.26 -1.08 119.74 123.33 1sdj s LYS 102 Ca 0.00 -0.35 0.01 0.00 0.02 0.00 0.00 55.97 55.65 1sdj s LYS 102 Cb 0.00 -2.94 -0.02 0.00 -0.52 0.00 0.00 37.83 34.35 1sdj s LYS 102 CO 0.00 0.62 -0.04 -1.01 -0.92 0.00 0.00 175.35 173.99 1sdj s HIS 103 N -0.62 0.38 -0.09 3.18 3.76 -1.05 -5.01 115.29 115.85 1sdj s HIS 103 Ca 0.11 -0.36 -0.07 0.00 -0.15 0.00 0.00 55.06 54.58 1sdj s HIS 103 Cb -0.12 -0.25 -0.04 0.00 1.11 0.00 0.00 32.58 33.28 1sdj s HIS 103 CO 0.02 -0.10 0.17 0.50 -0.85 0.00 0.00 174.74 174.49 1sdj s ARG 104 N -1.05 3.48 -0.04 1.40 3.52 -1.26 -1.28 118.95 123.72 1sdj s ARG 104 Ca -0.09 -0.11 0.05 0.00 -0.13 0.00 0.00 55.73 55.45 1sdj s ARG 104 Cb -0.07 -3.18 -0.01 0.00 -1.56 0.00 0.00 34.95 30.14 1sdj s ARG 104 CO -0.00 0.76 -0.18 0.08 -0.81 0.00 0.00 175.30 175.14 1sdj s VAL 105 N -1.08 1.50 -0.16 7.11 1.01 0.11 -2.21 120.40 126.68 1sdj s VAL 105 Ca 0.18 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 1sdj s VAL 105 Cb -0.12 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1sdj s VAL 105 CO 0.07 0.43 -0.03 -0.89 0.00 0.00 0.00 175.10 174.68 1sdj s THR 106 N -0.09 3.91 -0.18 3.92 2.01 0.88 -0.86 115.64 125.24 1sdj s THR 106 Ca -0.01 -0.35 -0.02 0.00 0.31 0.00 0.00 61.69 61.62 1sdj s THR 106 Cb -0.11 -2.72 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 1sdj s THR 106 CO 0.02 0.49 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.73 1sdj s ILE 107 N 0.44 3.31 -0.27 1.82 1.01 -0.42 0.07 121.20 127.16 1sdj s ILE 107 Ca -0.03 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.11 1sdj s ILE 107 Cb -0.14 -2.46 0.07 0.00 0.01 0.00 0.00 42.46 39.94 1sdj s ILE 107 CO 0.03 0.47 -0.06 -1.61 0.00 0.00 0.00 174.94 173.77 1sdj s GLU 108 N 0.93 1.94 0.44 2.79 2.02 -0.86 -1.85 118.70 124.10 1sdj s GLU 108 Ca -0.01 -1.39 -0.22 0.00 0.02 0.00 0.00 54.97 53.37 1sdj s GLU 108 Cb -0.15 -2.88 -0.09 0.00 0.10 0.00 0.00 34.13 31.11 1sdj s GLU 108 CO 0.00 -0.66 1.04 0.21 0.02 0.00 0.00 175.26 175.87 1sdj s LYS 109 N 1.12 4.00 -0.30 1.61 2.20 -1.26 -2.58 119.74 124.54 1sdj s LYS 109 Ca -0.04 1.42 -0.16 0.00 -0.36 0.00 0.00 55.97 56.83 1sdj s LYS 109 Cb -0.20 -2.32 0.17 0.00 -1.51 0.00 0.00 37.83 33.98 1sdj s LYS 109 CO -0.06 -0.26 1.08 -1.58 -0.36 0.00 0.00 175.35 174.16 1sdj s HIS 110 N -1.84 -0.49 -0.85 4.03 2.46 -0.31 -4.88 115.29 113.41 1sdj s HIS 110 Ca 0.62 0.86 -0.04 0.00 0.47 0.00 0.00 55.06 56.98 1sdj s HIS 110 Cb -0.19 0.29 0.00 0.00 -0.13 0.00 0.00 32.58 32.56 1sdj s HIS 110 CO 0.23 -0.24 0.60 0.09 -2.47 0.00 0.00 174.74 172.94 1sdj n ASN 111 N 4.69 -4.63 0.00 9.88 3.02 -1.26 -0.62 115.26 126.33 1sdj n ASN 111 Ca -0.09 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 1sdj n ASN 111 Cb 0.54 -1.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.15 1sdj n ASN 111 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1sdj n ASP 112 N -2.54 0.00 -4.80 6.41 9.92 -1.26 -4.91 116.55 119.37 1sdj n ASP 112 Ca -0.30 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 53.69 1sdj n ASP 112 Cb 0.67 -0.93 -0.05 0.00 -0.64 0.00 0.00 41.12 40.18 1sdj n ASP 112 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1sdj s ASP 113 N -1.81 4.47 0.09 -2.24 -1.08 0.20 -5.11 116.67 111.19 1sdj s ASP 113 Ca 0.00 -1.21 0.07 0.00 -0.52 0.00 0.00 52.55 50.90 1sdj s ASP 113 Cb 0.00 -0.05 -0.03 0.00 -1.46 0.00 0.00 42.92 41.38 1sdj s ASP 113 CO 0.00 -0.77 -0.20 -0.31 0.52 0.00 0.00 175.17 174.41 1sdj s TYR 114 N -2.69 1.68 -0.09 -5.34 2.02 -1.26 -1.16 117.35 110.50 1sdj s TYR 114 Ca 0.33 -0.42 0.04 0.00 -0.37 0.00 0.00 57.07 56.66 1sdj s TYR 114 Cb 0.01 -0.93 0.00 0.00 -0.40 0.00 0.00 41.96 40.64 1sdj s TYR 114 CO 0.19 0.16 -0.22 0.50 -1.57 0.00 0.00 175.55 174.61 1sdj s ARG 115 N -1.76 2.80 -0.15 -0.62 3.52 -1.06 -4.50 118.95 117.18 1sdj s ARG 115 Ca 0.05 -0.80 -0.04 0.00 -0.13 0.00 0.00 55.73 54.81 1sdj s ARG 115 Cb -0.10 -2.14 -0.03 0.00 -1.56 0.00 0.00 34.95 31.12 1sdj s ARG 115 CO 0.03 0.16 -0.02 0.42 -0.81 0.00 0.00 175.30 175.08 1sdj s ILE 116 N 0.39 4.09 -0.14 4.11 -1.09 0.90 -2.04 121.20 127.42 1sdj s ILE 116 Ca -0.18 -0.29 -0.00 0.00 -2.23 0.00 0.00 60.65 57.94 1sdj s ILE 116 Cb -0.18 -2.79 -0.01 0.00 -1.58 0.00 0.00 42.46 37.90 1sdj s ILE 116 CO 0.08 0.51 -0.12 -0.44 -1.23 0.00 0.00 174.94 173.73 1sdj s SER 117 N 0.13 4.04 -0.25 3.58 0.01 0.11 -1.80 113.70 119.53 1sdj s SER 117 Ca 0.00 -0.33 -0.02 0.00 1.31 0.00 0.00 55.95 56.91 1sdj s SER 117 Cb -0.13 -1.62 0.02 0.00 0.21 0.00 0.00 66.02 64.50 1sdj s SER 117 CO 0.02 0.15 -0.06 -0.76 0.41 0.00 0.00 173.24 173.01 1sdj s LEU 118 N 0.42 3.16 -0.69 2.44 1.02 0.10 -0.08 118.68 125.04 1sdj s LEU 118 Ca -0.10 -0.80 -0.27 0.00 0.02 0.00 0.00 54.13 52.99 1sdj s LEU 118 Cb -0.16 -1.68 0.04 0.00 0.02 0.00 0.00 46.19 44.41 1sdj s LEU 118 CO 0.05 -0.11 1.21 -1.61 0.02 0.00 0.00 176.35 175.91 1sdj s GLU 119 N 1.35 3.24 0.46 1.70 2.02 -0.94 -1.49 118.70 125.05 1sdj s GLU 119 Ca 0.01 -0.23 0.26 0.00 0.02 0.00 0.00 54.97 55.03 1sdj s GLU 119 Cb -0.16 -4.15 0.72 0.00 0.10 0.00 0.00 34.13 30.64 1sdj s GLU 119 CO -0.04 -2.00 1.74 1.96 0.02 0.00 0.00 175.26 176.94 1sdj h GLN 120 N 9.86 0.00 0.00 1.61 4.20 -1.01 -3.40 115.11 126.36 1sdj h GLN 120 Ca -0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1sdj h GLN 120 Cb 1.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.83 1sdj h GLN 120 CO 1.24 0.07 0.00 0.41 -0.67 0.00 0.00 178.83 179.88 1sdj n GLY 121 N 0.66 -0.57 3.77 3.46 0.00 -1.14 -4.85 105.19 106.52 1sdj n GLY 121 Ca 0.02 -1.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.07 1sdj n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sdj s THR 122 N 0.00 3.95 0.47 2.61 -4.23 -1.26 0.36 115.64 117.55 1sdj s THR 122 Ca 0.00 1.71 0.04 0.00 -1.18 0.00 0.00 61.69 62.26 1sdj s THR 122 Cb 0.00 -3.99 0.02 0.00 1.34 0.00 0.00 72.50 69.87 1sdj s THR 122 CO 0.00 0.22 0.66 -2.16 -0.54 0.00 0.00 174.62 172.80 1sdj s PRO 123 N -1.87 2.75 -0.02 3.99 0.04 -1.26 -4.68 135.00 133.95 1sdj s PRO 123 Ca 0.49 -0.93 -0.08 0.00 0.04 0.00 0.00 61.00 60.52 1sdj s PRO 123 Cb -0.23 -2.62 0.01 0.00 0.04 0.00 0.00 34.50 31.70 1sdj s PRO 123 CO 0.29 -0.44 0.17 0.20 0.04 0.00 0.00 177.00 177.26 1sdj s GLY 124 N -4.35 -0.02 -0.01 0.56 0.00 0.28 -4.99 107.32 98.79 1sdj s GLY 124 Ca 0.54 0.06 0.04 0.00 0.00 0.00 0.00 44.72 45.36 1sdj s GLY 124 CO 0.36 -0.07 -0.12 -1.36 0.00 0.00 0.00 173.10 171.90 1sdj s PHE 125 N -1.06 1.10 0.28 1.90 0.40 -1.26 -0.82 117.98 118.52 1sdj s PHE 125 Ca -0.11 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.01 1sdj s PHE 125 Cb -0.06 -0.71 -0.04 0.00 0.51 0.00 0.00 43.02 42.72 1sdj s PHE 125 CO 0.02 -0.02 0.46 -1.21 0.70 0.00 0.00 175.22 175.16 1sdj s GLU 126 N -0.26 3.49 0.30 0.44 2.02 -0.61 -5.03 118.70 119.05 1sdj s GLU 126 Ca 0.04 -0.43 -0.29 0.00 0.02 0.00 0.00 54.97 54.32 1sdj s GLU 126 Cb -0.05 -2.76 -0.13 0.00 0.10 0.00 0.00 34.13 31.29 1sdj s GLU 126 CO -0.00 0.28 1.20 -2.30 0.02 0.00 0.00 175.26 174.45 1sdj n PRO 127 N -1.38 1.77 -1.60 0.39 -0.02 -1.26 -4.48 135.00 128.42 1sdj n PRO 127 Ca -0.06 0.62 -0.47 0.00 -2.02 0.00 0.00 63.50 61.58 1sdj n PRO 127 Cb 0.56 -2.13 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 1sdj n PRO 127 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1sdj n PRO 128 N 0.90 1.38 -2.59 0.52 -0.02 -1.26 -4.71 135.00 129.22 1sdj n PRO 128 Ca 0.08 0.49 -0.41 0.00 -2.02 0.00 0.00 63.50 61.64 1sdj n PRO 128 Cb 0.33 -1.97 -0.04 0.00 -0.02 0.00 0.00 33.50 31.80 1sdj n PRO 128 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1sdj s LEU 129 N 0.49 4.48 0.00 2.45 1.43 -0.51 -5.00 118.68 122.01 1sdj s LEU 129 Ca 0.68 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.74 1sdj s LEU 129 Cb -0.77 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 41.86 1sdj s LEU 129 CO 0.54 -0.19 0.01 -0.62 0.23 0.00 0.00 176.35 176.32 1sdj n GLU 130 N 2.74 0.40 0.00 1.70 1.02 -1.26 -4.47 120.64 120.76 1sdj n GLU 130 Ca 0.03 -0.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1sdj n GLU 130 Cb 0.47 0.15 0.00 0.00 -0.02 0.00 0.00 31.44 32.04 1sdj n GLU 130 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sdj n GLY 131 N 0.87 2.96 0.36 0.62 0.00 -1.26 -2.13 105.19 106.61 1sdj n GLY 131 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 1sdj n GLY 131 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sdj h GLU 132 N 0.00 1.21 -0.50 1.61 4.81 -1.99 -2.33 114.58 117.40 1sdj h GLU 132 Ca 0.00 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.06 1sdj h GLU 132 Cb 0.00 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.09 1sdj h GLU 132 CO 0.00 0.80 -0.05 1.15 -0.73 0.00 0.00 179.01 180.18 1sdj h THR 133 N 1.25 1.27 0.23 0.32 2.02 -1.85 0.26 112.91 116.40 1sdj h THR 133 Ca 0.36 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 1sdj h THR 133 Cb -0.08 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1sdj h THR 133 CO -0.10 0.41 -0.16 -0.09 0.37 0.00 0.00 175.52 175.95 1sdj h ARG 134 N 0.78 -0.37 0.00 6.66 1.12 -1.15 -0.70 114.38 120.71 1sdj h ARG 134 Ca 0.14 0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 59.01 1sdj h ARG 134 Cb 0.59 0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.63 1sdj h ARG 134 CO 0.04 -0.25 -0.08 0.00 -3.11 0.00 0.00 179.97 176.57 1sdj h ALA 135 N 0.36 1.67 -0.23 2.80 0.00 -1.32 -0.84 119.26 121.71 1sdj h ALA 135 Ca -0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1sdj h ALA 135 Cb 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1sdj h ALA 135 CO 0.00 0.10 -0.13 0.00 0.00 0.00 0.00 179.25 179.23 1sdj h ALA 136 N 1.92 0.33 -0.24 0.00 0.00 -0.03 -0.59 119.26 120.64 1sdj h ALA 136 Ca -0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1sdj h ALA 136 Cb 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1sdj h ALA 136 CO 0.01 0.20 -0.03 0.82 0.00 0.00 0.00 179.25 180.25 1sdj h ILE 137 N 0.21 1.27 -0.78 0.00 2.04 -0.55 -1.76 117.51 117.93 1sdj h ILE 137 Ca 0.05 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1sdj h ILE 137 Cb 0.63 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 1sdj h ILE 137 CO 0.04 0.31 0.37 0.40 0.00 0.00 0.00 178.15 179.27 1sdj h ILE 138 N 0.21 1.25 -0.00 -0.67 2.04 -1.17 -2.85 117.51 116.31 1sdj h ILE 138 Ca 0.07 -0.70 -0.16 0.00 1.00 0.00 0.00 64.86 65.06 1sdj h ILE 138 Cb 0.47 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1sdj h ILE 138 CO 0.02 0.30 -0.77 -1.13 0.00 0.00 0.00 178.15 176.56 1sdj h ASN 139 N 1.12 0.02 0.81 1.72 -1.24 -1.04 -2.35 115.58 114.61 1sdj h ASN 139 Ca 0.27 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.26 1sdj h ASN 139 Cb 0.12 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.16 1sdj h ASN 139 CO -0.03 0.78 0.00 0.00 -1.29 0.00 0.00 177.43 176.89 1sdj h ALA 140 N 1.21 1.00 -0.01 1.57 0.00 -1.09 -1.18 119.26 120.76 1sdj h ALA 140 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sdj h ALA 140 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1sdj h ALA 140 CO 0.10 0.00 -0.43 1.28 0.00 0.00 0.00 179.25 180.20 1sdj n LEU 141 N -2.92 1.47 -2.57 0.00 4.77 -1.14 -0.47 117.00 116.14 1sdj n LEU 141 Ca 0.00 -0.50 -0.12 0.00 -0.03 0.00 0.00 56.01 55.36 1sdj n LEU 141 Cb 0.25 -0.06 0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1sdj n LEU 141 CO 0.24 0.28 0.09 1.41 -1.33 0.00 0.00 177.39 178.08 1sdj n HIS 142 N -0.46 -1.51 -4.35 -1.77 8.25 -0.45 -4.66 115.22 110.27 1sdj n HIS 142 Ca 0.10 0.62 -0.19 0.00 -0.26 0.00 0.00 57.72 57.99 1sdj n HIS 142 Cb 0.40 -3.94 -0.10 0.00 1.12 0.00 0.00 29.99 27.47 1sdj n HIS 142 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1sdj s LEU 143 N -4.89 1.73 0.32 2.41 1.43 -0.90 -5.05 118.68 113.74 1sdj s LEU 143 Ca 0.07 -1.48 0.05 0.00 -1.03 0.00 0.00 54.13 51.74 1sdj s LEU 143 Cb -0.03 0.04 -0.06 0.00 0.03 0.00 0.00 46.19 46.17 1sdj s LEU 143 CO 0.48 -0.80 0.03 -0.89 0.23 0.00 0.00 176.35 175.39 1sdj s THR 144 N -3.61 1.38 0.62 5.49 2.01 -1.26 -4.24 115.64 116.02 1sdj s THR 144 Ca 0.36 -2.02 0.29 0.00 0.31 0.00 0.00 61.69 60.62 1sdj s THR 144 Cb 0.06 -2.74 0.35 0.00 0.01 0.00 0.00 72.50 70.18 1sdj s THR 144 CO 0.15 -0.07 1.93 -0.33 -0.69 0.00 0.00 174.62 175.61 1sdj h GLU 145 N 2.11 0.00 0.00 4.92 4.39 -1.96 0.42 114.58 124.47 1sdj h GLU 145 Ca -0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1sdj h GLU 145 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1sdj h GLU 145 CO 0.71 0.00 0.00 -3.47 -1.16 0.00 0.00 179.01 175.09 1sdj n ASP 146 N -3.41 0.62 0.01 1.42 4.64 -1.26 -2.40 116.55 116.18 1sdj n ASP 146 Ca 0.04 0.70 0.11 0.00 -1.38 0.00 0.00 54.79 54.25 1sdj n ASP 146 Cb 0.52 -0.82 -0.06 0.00 -1.04 0.00 0.00 41.12 39.72 1sdj n ASP 146 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1sdj n ASP 147 N -2.24 0.60 -4.83 1.67 8.00 0.15 -4.93 116.55 114.97 1sdj n ASP 147 Ca 0.01 -0.43 -0.36 0.00 0.71 0.00 0.00 54.79 54.71 1sdj n ASP 147 Cb 0.15 1.12 -0.06 0.00 -0.02 0.00 0.00 41.12 42.32 1sdj n ASP 147 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sdj s ILE 148 N -3.20 4.83 0.27 0.53 -1.09 -1.01 -0.83 121.20 120.70 1sdj s ILE 148 Ca 0.03 0.94 -0.30 0.00 -2.23 0.00 0.00 60.65 59.09 1sdj s ILE 148 Cb 0.15 -3.78 -0.11 0.00 -1.58 0.00 0.00 42.46 37.13 1sdj s ILE 148 CO 0.85 0.34 1.63 -0.76 -1.23 0.00 0.00 174.94 175.77 1sdj s LEU 149 N -1.69 4.35 0.42 2.97 1.43 0.12 -4.71 118.68 121.58 1sdj s LEU 149 Ca 0.35 2.93 -0.26 0.00 -1.03 0.00 0.00 54.13 56.12 1sdj s LEU 149 Cb -0.16 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.35 1sdj s LEU 149 CO 0.19 -0.93 1.36 -2.16 0.23 0.00 0.00 176.35 175.04 1sdj s PRO 150 N -0.08 3.85 0.00 1.29 0.04 -1.26 -3.06 135.00 135.78 1sdj s PRO 150 Ca 0.66 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.98 1sdj s PRO 150 Cb -0.48 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1sdj s PRO 150 CO 0.44 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1sdj n GLY 151 N 0.62 1.84 3.87 0.56 0.00 -1.26 -4.98 105.19 105.83 1sdj n GLY 151 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1sdj n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sdj s LEU 152 N 0.00 4.41 0.48 0.99 1.02 -1.17 -5.10 118.68 119.32 1sdj s LEU 152 Ca 0.00 0.61 -0.03 0.00 0.02 0.00 0.00 54.13 54.73 1sdj s LEU 152 Cb 0.00 -2.22 -0.01 0.00 0.02 0.00 0.00 46.19 43.98 1sdj s LEU 152 CO 0.00 0.39 0.75 -2.16 0.02 0.00 0.00 176.35 175.34 1sdj s PRO 153 N -1.05 3.20 -0.48 1.29 0.04 -1.26 -4.88 135.00 131.86 1sdj s PRO 153 Ca 0.17 -0.16 -0.13 0.00 0.04 0.00 0.00 61.00 60.93 1sdj s PRO 153 Cb -0.13 -2.45 0.10 0.00 0.04 0.00 0.00 34.50 32.06 1sdj s PRO 153 CO 0.07 -0.32 0.39 0.42 0.04 0.00 0.00 177.00 177.59 1sdj s ILE 154 N -2.69 4.77 0.12 0.56 1.01 -1.26 -4.64 121.20 119.07 1sdj s ILE 154 Ca 0.49 -1.43 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 1sdj s ILE 154 Cb -0.10 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 1sdj s ILE 154 CO 0.41 -0.70 0.06 0.00 0.00 0.00 0.00 174.94 174.72 1sdj s GLN 155 N 1.52 0.90 -0.09 2.79 -2.07 -1.26 -1.43 119.66 120.02 1sdj s GLN 155 Ca 0.04 -1.39 -0.30 0.00 -1.82 0.00 0.00 55.36 51.89 1sdj s GLN 155 Cb -0.26 0.25 -0.01 0.00 -1.09 0.00 0.00 33.01 31.89 1sdj s GLN 155 CO 0.03 -0.25 1.02 0.08 -1.32 0.00 0.00 175.29 174.85 1sdj s VAL 156 N -4.03 4.74 0.12 3.63 1.01 -1.26 -4.33 120.40 120.29 1sdj s VAL 156 Ca 0.21 2.01 0.08 0.00 0.00 0.00 0.00 61.98 64.29 1sdj s VAL 156 Cb 0.07 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1sdj s VAL 156 CO 0.00 0.02 -0.20 0.00 0.00 0.00 0.00 175.10 174.92 1sdj s ALA 157 N 1.94 1.87 0.13 5.51 0.00 0.22 -1.57 121.76 129.86 1sdj s ALA 157 Ca 0.49 -1.32 -0.22 0.00 0.00 0.00 0.00 51.96 50.92 1sdj s ALA 157 Cb -0.19 -0.23 0.06 0.00 0.00 0.00 0.00 23.12 22.76 1sdj s ALA 157 CO 0.19 0.33 0.55 -0.08 0.00 0.00 0.00 175.76 176.75 1sdj s THR 158 N -1.41 0.02 0.00 0.00 -1.32 -0.00 -1.65 115.64 111.28 1sdj s THR 158 Ca 0.09 -0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.40 1sdj s THR 158 Cb -0.09 -1.04 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 1sdj s THR 158 CO 0.05 -0.09 0.47 1.07 -2.21 0.00 0.00 174.62 173.91 1sdj n THR 159 N -0.19 0.00 0.00 5.08 5.66 -1.26 -0.55 114.28 123.02 1sdj n THR 159 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1sdj n THR 159 Cb 0.64 0.78 0.00 0.00 -1.55 0.00 0.00 70.33 70.19 1sdj n THR 159 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1sdj n GLY 160 N 0.00 1.27 2.75 1.09 0.00 -1.26 -4.88 105.19 104.16 1sdj n GLY 160 Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1sdj n GLY 160 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sdj s HIS 161 N 0.00 2.00 0.65 1.61 3.76 -1.26 -5.12 115.29 116.93 1sdj s HIS 161 Ca 0.00 -2.10 -0.17 0.00 -0.15 0.00 0.00 55.06 52.64 1sdj s HIS 161 Cb 0.00 -1.89 -0.12 0.00 1.11 0.00 0.00 32.58 31.67 1sdj s HIS 161 CO 0.00 -0.85 -0.08 -1.13 -0.85 0.00 0.00 174.74 171.83 1sdj n SER 162 N 4.34 -3.43 -3.69 1.40 3.41 -1.26 -4.78 113.62 109.61 1sdj n SER 162 Ca 0.02 0.56 -0.14 0.00 -0.26 0.00 0.00 58.87 59.05 1sdj n SER 162 Cb 0.39 -0.93 -0.08 0.00 -0.26 0.00 0.00 64.21 63.33 1sdj n SER 162 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1sdj s LYS 163 N -1.62 0.69 0.00 4.33 -0.14 -0.66 -4.38 119.74 117.96 1sdj s LYS 163 Ca 0.56 0.31 0.00 0.00 -1.36 0.00 0.00 55.97 55.48 1sdj s LYS 163 Cb -0.40 0.32 0.00 0.00 -1.68 0.00 0.00 37.83 36.07 1sdj s LYS 163 CO 0.67 -0.16 0.00 1.33 -0.76 0.00 0.00 175.35 176.43 1sdj n VAL 164 N 1.95 0.00 0.00 3.17 0.24 0.12 -0.61 118.33 123.19 1sdj n VAL 164 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1sdj n VAL 164 Cb 0.56 -1.06 0.00 0.00 -1.47 0.00 0.00 33.84 31.87 1sdj n VAL 164 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1sdj n ILE 166 N 0.00 0.00 -2.25 1.34 5.41 -0.96 -0.44 119.36 122.46 1sdj n ILE 166 Ca 0.00 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.33 1sdj n ILE 166 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 1sdj n ILE 166 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1sdj s PRO 167 N 0.00 3.40 0.09 0.38 0.04 -1.26 -1.84 135.00 135.80 1sdj s PRO 167 Ca 0.00 0.95 -0.00 0.00 0.04 0.00 0.00 61.00 61.98 1sdj s PRO 167 Cb 0.00 -4.11 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 1sdj s PRO 167 CO 0.00 -1.79 0.25 -0.51 0.04 0.00 0.00 177.00 174.99 1sdj s LEU 168 N 6.16 4.34 0.73 -3.56 1.43 -0.25 -0.70 118.68 126.83 1sdj s LEU 168 Ca 0.65 0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 53.92 1sdj s LEU 168 Cb -0.15 -3.00 0.04 0.00 0.03 0.00 0.00 46.19 43.10 1sdj s LEU 168 CO 0.31 0.13 1.10 -0.54 0.23 0.00 0.00 176.35 177.57 1sdj s LYS 169 N -2.67 2.45 0.53 1.70 1.02 -0.01 -4.49 119.74 118.27 1sdj s LYS 169 Ca 0.36 1.24 0.29 0.00 0.02 0.00 0.00 55.97 57.87 1sdj s LYS 169 Cb -0.13 -1.92 1.50 0.00 -0.52 0.00 0.00 37.83 36.77 1sdj s LYS 169 CO 0.28 -1.50 2.08 -1.35 -0.92 0.00 0.00 175.35 173.94 1sdj h PRO 170 N -0.74 0.00 0.00 -1.68 0.11 -1.91 -2.76 132.00 125.02 1sdj h PRO 170 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1sdj h PRO 170 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1sdj h PRO 170 CO 0.52 0.10 0.00 1.49 -0.21 0.00 0.00 178.00 179.91 1sdj h GLU 171 N 0.00 0.00 -6.56 1.05 4.81 -1.96 -3.45 114.58 108.47 1sdj h GLU 171 Ca -0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.70 1sdj h GLU 171 Cb 0.32 0.00 0.04 0.00 0.63 0.00 0.00 28.75 29.74 1sdj h GLU 171 CO 0.01 0.00 0.98 0.08 -0.73 0.00 0.00 179.01 179.35 1sdj s VAL 172 N -3.35 2.57 -0.84 0.32 1.01 -1.04 -4.89 120.40 114.17 1sdj s VAL 172 Ca 0.05 0.29 -0.25 0.00 0.00 0.00 0.00 61.98 62.07 1sdj s VAL 172 Cb 0.09 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.30 1sdj s VAL 172 CO 0.56 0.01 1.50 -0.62 0.00 0.00 0.00 175.10 176.55 1sdj s ASP 173 N 1.72 6.04 0.29 3.32 -1.08 -1.26 -4.85 116.67 120.86 1sdj s ASP 173 Ca 0.74 -0.73 0.04 0.00 -0.52 0.00 0.00 52.55 52.08 1sdj s ASP 173 Cb -0.45 -2.56 0.45 0.00 -1.46 0.00 0.00 42.92 38.90 1sdj s ASP 173 CO 0.33 -1.90 1.73 -0.29 0.52 0.00 0.00 175.17 175.55 1sdj h ILE 174 N 6.57 1.27 0.00 4.11 2.10 -1.93 -3.00 117.51 126.63 1sdj h ILE 174 Ca -0.06 -1.29 -0.04 0.00 1.08 0.00 0.00 64.86 64.55 1sdj h ILE 174 Cb 1.05 1.42 -0.01 0.00 -1.09 0.00 0.00 36.82 38.19 1sdj h ILE 174 CO 1.32 0.40 -0.19 0.44 -1.08 0.00 0.00 178.15 179.04 1sdj h ASP 175 N 0.36 0.00 0.40 2.19 3.32 -2.00 -2.79 116.42 117.90 1sdj h ASP 175 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1sdj h ASP 175 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1sdj h ASP 175 CO 0.05 0.19 -0.05 0.00 -1.72 0.00 0.00 179.24 177.72 1sdj n ALA 176 N -2.19 2.63 -1.78 3.45 0.00 -1.13 -4.87 120.51 116.61 1sdj n ALA 176 Ca 0.01 -0.21 -0.41 0.00 0.00 0.00 0.00 53.44 52.83 1sdj n ALA 176 Cb 0.44 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 1sdj n ALA 176 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sdj s LEU 177 N -2.45 4.35 -0.44 0.00 1.43 -1.06 -4.96 118.68 115.55 1sdj s LEU 177 Ca 0.31 2.93 0.05 0.00 -1.03 0.00 0.00 54.13 56.39 1sdj s LEU 177 Cb 0.20 -3.64 0.17 0.00 0.03 0.00 0.00 46.19 42.96 1sdj s LEU 177 CO 0.45 -0.88 0.44 -0.55 0.23 0.00 0.00 176.35 176.04 1sdj s SER 178 N 0.37 0.70 1.01 2.29 0.15 -1.26 -5.12 113.70 111.83 1sdj s SER 178 Ca 0.61 -2.68 -0.13 0.00 0.70 0.00 0.00 55.95 54.44 1sdj s SER 178 Cb -0.47 0.18 0.11 0.00 -1.71 0.00 0.00 66.02 64.13 1sdj s SER 178 CO 0.50 -0.14 0.56 -2.65 1.20 0.00 0.00 173.24 172.70 1sdj n PRO 179 N 2.92 -0.90 -3.01 5.44 -0.02 -1.26 -4.89 135.00 133.28 1sdj n PRO 179 Ca 0.26 -0.22 -0.44 0.00 -2.02 0.00 0.00 63.50 61.07 1sdj n PRO 179 Cb 0.50 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 1sdj n PRO 179 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1sdj s ASP 180 N -2.16 6.70 0.28 2.55 -1.08 0.38 -4.90 116.67 118.44 1sdj s ASP 180 Ca 0.60 -2.26 0.01 0.00 -0.52 0.00 0.00 52.55 50.38 1sdj s ASP 180 Cb -0.20 -2.36 0.66 0.00 -1.46 0.00 0.00 42.92 39.56 1sdj s ASP 180 CO 0.65 -0.93 1.66 -0.07 0.52 0.00 0.00 175.17 176.99 1sdj h LEU 181 N 9.80 0.03 -0.64 -1.34 3.38 -1.90 -0.85 115.31 123.79 1sdj h LEU 181 Ca 0.16 0.18 -0.10 0.00 0.09 0.00 0.00 57.88 58.22 1sdj h LEU 181 Cb 1.01 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1sdj h LEU 181 CO 1.05 -0.12 0.01 0.78 0.09 0.00 0.00 178.44 180.25 1sdj h ASN 182 N 0.24 1.04 -0.09 -0.43 2.35 -1.98 -2.07 115.58 114.63 1sdj h ASN 182 Ca 0.53 -0.29 -0.04 0.00 -0.55 0.00 0.00 56.30 55.95 1sdj h ASN 182 Cb 1.03 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 1sdj h ASN 182 CO -0.62 1.09 -0.04 0.00 -1.65 0.00 0.00 177.43 176.21 1sdj h ALA 183 N 1.02 1.54 -0.18 -0.83 0.00 -1.59 -1.02 119.26 118.20 1sdj h ALA 183 Ca 0.17 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1sdj h ALA 183 Cb 0.55 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1sdj h ALA 183 CO 0.03 0.33 -0.24 -0.07 0.00 0.00 0.00 179.25 179.30 1sdj h LEU 184 N 0.31 0.53 -1.20 0.00 3.38 -0.94 -2.32 115.31 115.07 1sdj h LEU 184 Ca 0.07 -0.51 -0.08 0.00 0.09 0.00 0.00 57.88 57.45 1sdj h LEU 184 Cb 0.28 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1sdj h LEU 184 CO 0.01 0.94 -0.28 0.71 0.09 0.00 0.00 178.44 179.90 1sdj h THR 185 N 0.14 1.25 -0.27 0.22 1.35 -1.07 -0.50 112.91 114.03 1sdj h THR 185 Ca 0.02 -1.16 -0.01 0.00 -0.55 0.00 0.00 66.41 64.71 1sdj h THR 185 Cb 0.81 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 68.70 1sdj h THR 185 CO 0.06 0.35 0.13 0.00 -0.25 0.00 0.00 175.52 175.81 1sdj h ALA 186 N 1.54 0.34 0.00 6.62 0.00 -1.09 -2.42 119.26 124.25 1sdj h ALA 186 Ca 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1sdj h ALA 186 Cb 0.60 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1sdj h ALA 186 CO 0.04 -0.10 -0.15 -0.84 0.00 0.00 0.00 179.25 178.20 1sdj h ILE 187 N 0.30 0.28 -0.29 0.00 -0.00 -1.08 -2.92 117.51 113.80 1sdj h ILE 187 Ca 0.09 -1.22 -0.06 0.00 -0.00 0.00 0.00 64.86 63.68 1sdj h ILE 187 Cb 0.11 1.98 -0.02 0.00 -0.00 0.00 0.00 36.82 38.89 1sdj h ILE 187 CO -0.01 0.15 -0.08 0.28 -0.00 0.00 0.00 178.15 178.48 1sdj h SER 188 N 0.00 0.45 1.83 2.16 0.02 -0.69 -0.34 113.55 116.97 1sdj h SER 188 Ca -0.00 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1sdj h SER 188 Cb 0.97 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 1sdj h SER 188 CO 0.02 0.57 -0.01 0.50 -1.14 0.00 0.00 176.83 176.78 1sdj h LYS 189 N 0.44 0.00 0.07 3.45 3.11 -1.26 0.24 116.57 122.61 1sdj h LYS 189 Ca 0.09 0.00 -0.29 0.00 -2.81 0.00 0.00 60.65 57.64 1sdj h LYS 189 Cb 0.42 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.63 1sdj h LYS 189 CO 0.02 0.01 -1.51 -0.22 -2.81 0.00 0.00 179.45 174.94 1sdj h LYS 190 N 0.00 0.15 0.00 1.90 3.64 -1.14 -3.38 116.57 117.73 1sdj h LYS 190 Ca -0.00 -0.25 -0.05 0.00 -1.27 0.00 0.00 60.65 59.08 1sdj h LYS 190 Cb 0.92 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1sdj h LYS 190 CO 0.00 0.95 -1.87 0.44 -2.27 0.00 0.00 179.45 176.70 1sdj n ILE 191 N -3.34 0.18 -1.97 2.00 -5.35 -0.24 -5.03 119.36 105.61 1sdj n ILE 191 Ca -0.15 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 1sdj n ILE 191 Cb 1.03 -0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.92 1sdj n ILE 191 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sdj n GLY 192 N 1.57 0.94 2.79 3.28 0.00 0.80 -5.07 105.19 109.49 1sdj n GLY 192 Ca -0.07 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.21 1sdj n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdj n ASN 194 N 5.32 1.94 -3.84 0.00 3.02 -1.26 -4.36 115.26 116.07 1sdj n ASN 194 Ca -0.04 -2.02 -0.16 0.00 -0.03 0.00 0.00 54.58 52.34 1sdj n ASN 194 Cb 0.50 -0.25 -0.16 0.00 -0.61 0.00 0.00 39.78 39.27 1sdj n ASN 194 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1sdj s GLY 195 N -0.98 0.19 -0.12 7.41 0.00 -1.26 -4.23 107.32 108.34 1sdj s GLY 195 Ca 0.24 0.09 0.01 0.00 0.00 0.00 0.00 44.72 45.06 1sdj s GLY 195 CO 0.16 0.39 -0.16 -1.36 0.00 0.00 0.00 173.10 172.13 1sdj s PHE 196 N 0.68 2.74 -0.58 1.90 0.40 -0.35 0.12 117.98 122.90 1sdj s PHE 196 Ca -0.07 -0.71 0.04 0.00 -0.60 0.00 0.00 56.93 55.60 1sdj s PHE 196 Cb -0.10 -1.80 0.16 0.00 0.51 0.00 0.00 43.02 41.79 1sdj s PHE 196 CO -0.01 -0.24 0.39 0.12 0.70 0.00 0.00 175.22 176.18 1sdj s PHE 197 N 0.28 2.76 0.13 0.36 5.36 0.41 -1.68 117.98 125.61 1sdj s PHE 197 Ca -0.12 -2.96 -0.30 0.00 -0.96 0.00 0.00 56.93 52.59 1sdj s PHE 197 Cb -0.16 -2.23 -0.07 0.00 -0.34 0.00 0.00 43.02 40.22 1sdj s PHE 197 CO 0.06 -0.67 1.05 -1.25 -1.46 0.00 0.00 175.22 172.96 1sdj s PRO 198 N -0.69 4.61 0.09 10.12 0.04 -1.17 -2.26 135.00 145.74 1sdj s PRO 198 Ca 0.24 1.61 -0.11 0.00 0.04 0.00 0.00 61.00 62.78 1sdj s PRO 198 Cb -0.09 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 31.13 1sdj s PRO 198 CO -0.12 0.09 0.25 -0.59 0.04 0.00 0.00 177.00 176.66 1sdj s PHE 199 N 0.04 0.05 0.13 0.56 -0.71 -0.77 -2.04 117.98 115.24 1sdj s PHE 199 Ca 0.50 -0.43 0.04 0.00 -1.04 0.00 0.00 56.93 56.00 1sdj s PHE 199 Cb -0.27 0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.53 1sdj s PHE 199 CO 0.32 -0.57 -0.10 1.14 -1.34 0.00 0.00 175.22 174.67 1sdj s GLN 200 N -3.70 1.02 -0.15 1.99 -2.07 -0.45 -1.09 119.66 115.21 1sdj s GLN 200 Ca 0.03 -1.38 -0.07 0.00 -1.82 0.00 0.00 55.36 52.12 1sdj s GLN 200 Cb 0.04 -0.62 -0.04 0.00 -1.09 0.00 0.00 33.01 31.29 1sdj s GLN 200 CO -0.10 0.08 0.10 0.42 -1.32 0.00 0.00 175.29 174.47 1sdj s ILE 201 N -3.08 5.18 0.17 3.63 1.01 -1.26 -1.60 121.20 125.25 1sdj s ILE 201 Ca 0.14 0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.58 1sdj s ILE 201 Cb 0.01 -3.29 -0.08 0.00 0.01 0.00 0.00 42.46 39.11 1sdj s ILE 201 CO 0.01 0.55 1.28 -0.13 0.00 0.00 0.00 174.94 176.64 1sdj s ARG 202 N -0.42 4.41 0.01 2.79 0.52 0.12 -4.77 118.95 121.61 1sdj s ARG 202 Ca 0.11 1.98 -0.37 0.00 -0.52 0.00 0.00 55.73 56.93 1sdj s ARG 202 Cb -0.12 -3.23 -0.16 0.00 0.52 0.00 0.00 34.95 31.96 1sdj s ARG 202 CO 0.02 -0.24 1.46 -2.30 0.02 0.00 0.00 175.30 174.25 1sdj n PRO 203 N 2.96 1.26 -1.48 3.54 -0.02 -1.26 -1.76 135.00 138.24 1sdj n PRO 203 Ca 0.07 0.46 -0.17 0.00 -2.02 0.00 0.00 63.50 61.84 1sdj n PRO 203 Cb 0.44 -2.13 -0.07 0.00 -0.02 0.00 0.00 33.50 31.72 1sdj n PRO 203 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sdj n GLY 204 N 2.99 1.61 3.01 -1.23 0.00 -1.26 -4.96 105.19 105.35 1sdj n GLY 204 Ca 0.20 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 1sdj n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sdj s LYS 205 N -3.39 0.39 -1.31 1.61 1.02 -0.72 -5.04 119.74 112.31 1sdj s LYS 205 Ca 0.00 -0.76 -0.06 0.00 0.02 0.00 0.00 55.97 55.17 1sdj s LYS 205 Cb 0.00 0.14 0.13 0.00 -0.52 0.00 0.00 37.83 37.58 1sdj s LYS 205 CO 0.00 -0.07 2.32 0.09 -0.92 0.00 0.00 175.35 176.77 1sdj n ASN 206 N 1.21 7.76 -4.02 2.83 3.02 -1.26 -4.32 115.26 120.48 1sdj n ASN 206 Ca -0.21 -3.16 -0.11 0.00 -0.03 0.00 0.00 54.58 51.07 1sdj n ASN 206 Cb 0.57 -1.36 -0.11 0.00 -0.61 0.00 0.00 39.78 38.26 1sdj n ASN 206 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1sdj s GLU 207 N -1.13 0.42 0.26 3.52 2.02 -1.26 -2.33 118.70 120.20 1sdj s GLU 207 Ca 0.52 -0.68 0.03 0.00 0.02 0.00 0.00 54.97 54.87 1sdj s GLU 207 Cb 0.18 -0.10 -0.05 0.00 0.10 0.00 0.00 34.13 34.25 1sdj s GLU 207 CO -0.09 0.00 0.02 0.95 0.02 0.00 0.00 175.26 176.17 1sdj s THR 208 N -1.39 1.02 -0.06 3.63 -4.23 -0.53 -0.70 115.64 113.38 1sdj s THR 208 Ca -0.13 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 58.35 1sdj s THR 208 Cb -0.10 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.29 1sdj s THR 208 CO -0.00 -0.21 0.00 -1.81 -0.54 0.00 0.00 174.62 172.06 1sdj s ASP 209 N -3.35 1.27 0.30 3.99 1.11 -0.63 -0.01 116.67 119.35 1sdj s ASP 209 Ca 0.31 -0.06 0.04 0.00 0.18 0.00 0.00 52.55 53.02 1sdj s ASP 209 Cb 0.07 -0.37 -0.03 0.00 1.07 0.00 0.00 42.92 43.65 1sdj s ASP 209 CO 0.11 -0.17 0.19 -0.83 1.18 0.00 0.00 175.17 175.65 1sdj s GLY 210 N 1.71 2.07 0.00 0.21 0.00 -0.32 -1.34 107.32 109.64 1sdj s GLY 210 Ca 0.01 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 42.90 1sdj s GLY 210 CO -0.04 -1.52 0.00 0.54 0.00 0.00 0.00 173.10 172.08 1sdj n ARG 211 N -0.55 0.00 0.00 2.90 1.74 -0.87 -3.87 116.66 116.01 1sdj n ARG 211 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1sdj n ARG 211 Cb 0.64 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.08 1sdj n ARG 211 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1sdj n PHE 213 N 0.00 0.00 -2.96 -1.55 3.72 -0.68 -3.03 117.46 112.96 1sdj n PHE 213 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 1sdj n PHE 213 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1sdj n PHE 213 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1sdj n SER 214 N 0.00 0.78 0.31 4.37 3.41 -1.16 -1.21 113.62 120.13 1sdj n SER 214 Ca 0.00 -2.92 0.18 0.00 -0.26 0.00 0.00 58.87 55.87 1sdj n SER 214 Cb 0.00 -0.40 1.00 0.00 -0.26 0.00 0.00 64.21 64.55 1sdj n SER 214 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1sdj h PRO 215 N 2.97 0.00 -0.45 4.33 0.13 -1.71 -2.31 132.00 134.96 1sdj h PRO 215 Ca 0.01 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.26 1sdj h PRO 215 Cb 1.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1sdj h PRO 215 CO 0.46 0.02 0.36 0.00 -0.23 0.00 0.00 178.00 178.61 1sdj h ALA 216 N 1.98 2.31 -4.19 -0.56 0.00 -1.86 -3.41 119.26 113.53 1sdj h ALA 216 Ca -0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1sdj h ALA 216 Cb 0.10 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1sdj h ALA 216 CO 0.00 -0.59 -0.04 0.44 0.00 0.00 0.00 179.25 179.06 1sdj n ILE 217 N -4.15 0.00 -0.33 0.00 -5.35 -0.87 -5.04 119.36 103.61 1sdj n ILE 217 Ca 0.08 -0.25 -0.01 0.00 -0.27 0.00 0.00 62.75 62.29 1sdj n ILE 217 Cb 0.56 -0.32 0.15 0.00 -1.74 0.00 0.00 39.64 38.29 1sdj n ILE 217 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1sdj h GLY 218 N 0.09 1.32 -6.68 3.28 0.00 -1.79 -3.43 103.07 95.86 1sdj h GLY 218 Ca -0.04 -0.50 -0.57 0.00 0.00 0.00 0.00 47.33 46.22 1sdj h GLY 218 CO 0.07 0.49 1.20 -0.42 0.00 0.00 0.00 176.54 177.88 1sdj s ILE 219 N -6.04 3.61 0.07 2.60 -1.09 -1.26 -4.90 121.20 114.18 1sdj s ILE 219 Ca -0.12 0.63 -0.18 0.00 -2.23 0.00 0.00 60.65 58.74 1sdj s ILE 219 Cb 0.18 -3.76 -0.11 0.00 -1.58 0.00 0.00 42.46 37.19 1sdj s ILE 219 CO 0.81 -0.45 1.42 0.58 -1.23 0.00 0.00 174.94 176.07 1sdj h VAL 220 N 6.60 1.31 -1.96 2.92 2.07 -1.83 -3.07 116.25 122.28 1sdj h VAL 220 Ca -0.33 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.01 1sdj h VAL 220 Cb 1.15 1.64 -0.23 0.00 -1.52 0.00 0.00 31.29 32.33 1sdj h VAL 220 CO 1.03 0.37 -0.23 -0.70 0.02 0.00 0.00 177.57 178.07 1sdj s GLU 221 N -4.53 0.50 -0.04 1.57 2.12 -1.26 -2.97 118.70 114.09 1sdj s GLU 221 Ca -0.14 1.23 -0.25 0.00 0.36 0.00 0.00 54.97 56.18 1sdj s GLU 221 Cb 0.07 0.62 -0.04 0.00 0.26 0.00 0.00 34.13 35.04 1sdj s GLU 221 CO 0.77 -0.30 0.76 0.34 -0.54 0.00 0.00 175.26 176.28 1sdj s ASP 222 N 2.80 7.08 0.20 -1.70 2.15 -1.26 -4.99 116.67 120.96 1sdj s ASP 222 Ca 0.00 1.30 -0.10 0.00 0.43 0.00 0.00 52.55 54.18 1sdj s ASP 222 Cb -0.13 -2.45 0.23 0.00 -0.30 0.00 0.00 42.92 40.28 1sdj s ASP 222 CO -0.18 -0.13 1.78 1.55 -0.17 0.00 0.00 175.17 178.03 1sdj h PRO 223 N 6.64 0.53 -1.96 4.34 0.13 -1.91 -3.42 132.00 136.35 1sdj h PRO 223 Ca -0.41 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 1sdj h PRO 223 Cb 1.20 -0.12 -0.28 0.00 0.13 0.00 0.00 31.00 31.93 1sdj h PRO 223 CO 0.75 0.35 -0.42 0.54 -0.23 0.00 0.00 178.00 178.99 1sdj s VAL 224 N -6.10 -0.67 -0.39 1.56 0.11 -1.26 -1.42 120.40 112.23 1sdj s VAL 224 Ca -0.13 0.01 -0.08 0.00 -2.93 0.00 0.00 61.98 58.85 1sdj s VAL 224 Cb 0.16 -0.80 0.07 0.00 -1.53 0.00 0.00 36.38 34.28 1sdj s VAL 224 CO 0.75 -0.05 0.20 -0.89 -3.33 0.00 0.00 175.10 171.78 1sdj s THR 225 N 2.61 4.00 0.42 5.04 2.01 -1.26 -4.80 115.64 123.65 1sdj s THR 225 Ca 0.09 -1.37 0.09 0.00 0.31 0.00 0.00 61.69 60.82 1sdj s THR 225 Cb -0.14 -3.41 0.28 0.00 0.01 0.00 0.00 72.50 69.24 1sdj s THR 225 CO -0.16 -0.41 2.04 1.23 -0.69 0.00 0.00 174.62 176.63 1sdj h GLY 226 N 8.31 0.57 0.33 4.40 0.00 -1.99 -1.39 103.07 113.30 1sdj h GLY 226 Ca -0.22 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1sdj h GLY 226 CO 0.70 0.17 0.00 0.70 0.00 0.00 0.00 176.54 178.11 1sdj n ASN 227 N -4.48 0.00 -0.05 0.19 3.02 -1.26 -1.22 115.26 111.46 1sdj n ASN 227 Ca 0.05 -1.60 -0.10 0.00 -0.03 0.00 0.00 54.58 52.90 1sdj n ASN 227 Cb 0.15 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.28 1sdj n ASN 227 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sdj n ALA 228 N -0.66 2.25 0.07 5.41 0.00 -0.60 -4.51 120.51 122.48 1sdj n ALA 228 Ca 0.07 -0.40 -0.06 0.00 0.00 0.00 0.00 53.44 53.05 1sdj n ALA 228 Cb 0.03 0.35 0.11 0.00 0.00 0.00 0.00 19.45 19.95 1sdj n ALA 228 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1sdj h ASN 229 N -0.30 0.33 0.62 0.00 4.21 -1.36 -3.23 115.58 115.85 1sdj h ASN 229 Ca -0.25 -0.19 -0.03 0.00 1.21 0.00 0.00 56.30 57.04 1sdj h ASN 229 Cb 1.24 -0.09 0.01 0.00 -1.12 0.00 0.00 38.32 38.35 1sdj h ASN 229 CO -0.14 0.85 -0.30 1.23 -1.29 0.00 0.00 177.43 177.79 1sdj h GLY 230 N 1.41 -0.87 -4.32 2.83 0.00 -1.41 -2.53 103.07 98.18 1sdj h GLY 230 Ca -0.01 0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.59 1sdj h GLY 230 CO 0.10 -0.32 0.09 -1.55 0.00 0.00 0.00 176.54 174.86 1sdj n PRO 231 N -5.43 0.72 0.00 4.80 -0.04 -1.22 -2.81 135.00 131.02 1sdj n PRO 231 Ca -0.13 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.02 1sdj n PRO 231 Cb 0.35 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 1sdj n PRO 231 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sdj n GLY 233 N 2.53 0.00 0.32 0.55 0.00 -0.96 -0.57 105.19 107.06 1sdj n GLY 233 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 1sdj n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdj h ALA 234 N 0.00 0.95 -0.74 4.61 0.00 -1.81 -1.79 119.26 120.49 1sdj h ALA 234 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1sdj h ALA 234 Cb 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1sdj h ALA 234 CO 0.00 0.57 0.36 2.35 0.00 0.00 0.00 179.25 182.53 1sdj h TRP 235 N 1.05 1.07 -0.88 0.00 7.01 -1.13 0.42 115.95 123.49 1sdj h TRP 235 Ca 0.24 -0.05 0.03 0.00 2.11 0.00 0.00 58.89 61.22 1sdj h TRP 235 Cb 0.21 -0.33 -0.05 0.00 -2.10 0.00 0.00 29.16 26.89 1sdj h TRP 235 CO 0.02 0.78 0.57 -0.07 -2.79 0.00 0.00 178.44 176.95 1sdj h LEU 236 N 1.04 0.96 -0.06 0.65 4.07 -1.68 -0.93 115.31 119.36 1sdj h LEU 236 Ca 0.25 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 58.14 1sdj h LEU 236 Cb 0.11 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.63 1sdj h LEU 236 CO -0.03 0.67 -0.22 0.58 -1.08 0.00 0.00 178.44 178.36 1sdj h VAL 237 N 1.13 1.44 -0.85 1.22 2.07 -0.99 -0.34 116.25 119.93 1sdj h VAL 237 Ca 0.34 -1.63 0.17 0.00 0.82 0.00 0.00 66.70 66.41 1sdj h VAL 237 Cb -0.04 2.33 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 1sdj h VAL 237 CO -0.10 0.46 0.56 -0.74 0.02 0.00 0.00 177.57 177.76 1sdj h HIS 238 N -0.26 0.59 -0.42 1.57 -0.00 -0.56 -0.65 115.15 115.42 1sdj h HIS 238 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1sdj h HIS 238 Cb 0.86 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.08 1sdj h HIS 238 CO 0.13 0.19 0.00 0.72 -0.00 0.00 0.00 177.93 178.97 1sdj n HIS 239 N -4.51 1.02 -3.16 5.26 -0.00 -0.39 -4.96 115.22 108.48 1sdj n HIS 239 Ca 0.17 -0.68 -0.19 0.00 -0.00 0.00 0.00 57.72 57.02 1sdj n HIS 239 Cb 0.59 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.99 30.35 1sdj n HIS 239 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1sdj n ASN 240 N 0.33 -3.17 0.17 0.41 4.05 -0.25 -4.83 115.26 111.97 1sdj n ASN 240 Ca 0.20 -0.21 0.01 0.00 0.45 0.00 0.00 54.58 55.03 1sdj n ASN 240 Cb 0.77 -2.68 0.32 0.00 1.23 0.00 0.00 39.78 39.42 1sdj n ASN 240 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 1sdj h VAL 241 N -0.64 1.30 -4.35 3.44 2.07 -1.36 -3.43 116.25 113.28 1sdj h VAL 241 Ca -0.35 -1.41 -0.59 0.00 0.82 0.00 0.00 66.70 65.16 1sdj h VAL 241 Cb 1.24 1.74 -0.30 0.00 -1.52 0.00 0.00 31.29 32.45 1sdj h VAL 241 CO 0.44 0.41 -0.85 -0.76 0.02 0.00 0.00 177.57 176.83 1sdj s LEU 242 N -8.13 2.03 0.23 2.57 1.02 -1.25 -5.11 118.68 110.04 1sdj s LEU 242 Ca -0.03 -0.37 -0.30 0.00 0.02 0.00 0.00 54.13 53.46 1sdj s LEU 242 Cb 0.14 -1.04 -0.09 0.00 0.02 0.00 0.00 46.19 45.22 1sdj s LEU 242 CO 0.74 0.24 1.10 -2.16 0.02 0.00 0.00 176.35 176.28 1sdj s PRO 243 N -0.41 4.63 0.02 1.29 0.04 -1.26 -4.87 135.00 134.43 1sdj s PRO 243 Ca 0.06 1.75 0.03 0.00 0.04 0.00 0.00 61.00 62.88 1sdj s PRO 243 Cb -0.08 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 1sdj s PRO 243 CO -0.00 0.16 -0.09 -3.38 0.04 0.00 0.00 177.00 173.72 1sdj s HIS 244 N -0.70 0.76 -0.10 0.56 -3.43 -1.26 -4.97 115.29 106.15 1sdj s HIS 244 Ca 0.47 -0.27 -0.11 0.00 -0.80 0.00 0.00 55.06 54.34 1sdj s HIS 244 Cb -0.31 -0.47 -0.04 0.00 -1.43 0.00 0.00 32.58 30.34 1sdj s HIS 244 CO 0.38 -0.02 -0.22 -0.25 -2.00 0.00 0.00 174.74 172.62 1sdj n ASP 245 N 2.29 1.37 -2.37 7.38 10.43 -1.26 -5.02 116.55 129.37 1sdj n ASP 245 Ca -0.17 0.23 0.00 0.00 2.57 0.00 0.00 54.79 57.42 1sdj n ASP 245 Cb 0.56 -0.61 0.00 0.00 1.84 0.00 0.00 41.12 42.91 1sdj n ASP 245 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1sdj n GLY 246 N 1.80 -2.10 1.99 0.44 0.00 -1.26 -4.83 105.19 101.24 1sdj n GLY 246 Ca -0.09 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.63 1sdj n GLY 246 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sdj n ASN 247 N 0.00 4.74 -3.67 1.61 3.02 -1.26 -4.94 115.26 114.76 1sdj n ASN 247 Ca 0.00 -3.72 -0.13 0.00 -0.03 0.00 0.00 54.58 50.70 1sdj n ASN 247 Cb 0.00 -0.78 -0.07 0.00 -0.61 0.00 0.00 39.78 38.32 1sdj n ASN 247 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1sdj s VAL 248 N -3.88 0.05 -0.08 2.41 0.11 -1.26 0.63 120.40 118.39 1sdj s VAL 248 Ca 0.56 -0.45 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1sdj s VAL 248 Cb 0.46 -0.92 0.02 0.00 -1.53 0.00 0.00 36.38 34.41 1sdj s VAL 248 CO 0.04 -0.25 -0.05 -0.22 -3.33 0.00 0.00 175.10 171.29 1sdj s LEU 249 N -1.92 1.11 -0.13 2.54 1.98 0.83 -4.27 118.68 118.81 1sdj s LEU 249 Ca -0.06 -0.19 -0.01 0.00 -2.89 0.00 0.00 54.13 50.98 1sdj s LEU 249 Cb -0.01 -0.61 -0.02 0.00 0.66 0.00 0.00 46.19 46.21 1sdj s LEU 249 CO -0.01 -0.10 -0.10 -0.13 -1.89 0.00 0.00 176.35 174.11 1sdj s ARG 250 N 1.43 3.41 -0.03 1.98 0.52 -1.26 0.19 118.95 125.20 1sdj s ARG 250 Ca -0.02 -0.63 0.02 0.00 -0.52 0.00 0.00 55.73 54.57 1sdj s ARG 250 Cb -0.13 -2.70 0.01 0.00 0.52 0.00 0.00 34.95 32.64 1sdj s ARG 250 CO -0.03 0.26 -0.06 0.08 0.02 0.00 0.00 175.30 175.57 1sdj s VAL 251 N 0.26 0.54 -0.44 3.52 1.01 0.74 -4.83 120.40 121.20 1sdj s VAL 251 Ca -0.07 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 1sdj s VAL 251 Cb -0.15 -0.51 0.04 0.00 0.00 0.00 0.00 36.38 35.75 1sdj s VAL 251 CO 0.05 0.19 0.41 -0.54 0.00 0.00 0.00 175.10 175.20 1sdj s LYS 252 N 0.41 3.03 -0.41 2.72 1.02 -0.98 0.23 119.74 125.77 1sdj s LYS 252 Ca -0.05 -0.97 -0.19 0.00 0.02 0.00 0.00 55.97 54.77 1sdj s LYS 252 Cb -0.09 -4.02 0.02 0.00 -0.52 0.00 0.00 37.83 33.22 1sdj s LYS 252 CO 0.00 -0.89 0.56 0.20 -0.92 0.00 0.00 175.35 174.29 1sdj s GLY 253 N 2.02 1.79 0.34 -3.33 0.00 -0.05 -1.45 107.32 106.64 1sdj s GLY 253 Ca 0.09 -1.25 -0.11 0.00 0.00 0.00 0.00 44.72 43.44 1sdj s GLY 253 CO 0.11 1.37 0.70 0.30 0.00 0.00 0.00 173.10 175.58 1sdj s HIS 254 N 2.53 3.44 -0.16 1.90 3.76 0.98 -1.64 115.29 126.10 1sdj s HIS 254 Ca 0.19 1.02 -0.30 0.00 -0.15 0.00 0.00 55.06 55.81 1sdj s HIS 254 Cb -0.15 -2.40 0.13 0.00 1.11 0.00 0.00 32.58 31.27 1sdj s HIS 254 CO 0.16 0.04 1.02 -1.14 -0.85 0.00 0.00 174.74 173.97 1sdj s GLN 255 N -3.41 0.57 0.00 1.40 0.74 -0.98 -1.17 119.66 116.81 1sdj s GLN 255 Ca 0.51 0.12 0.00 0.00 0.05 0.00 0.00 55.36 56.04 1sdj s GLN 255 Cb -0.10 0.27 0.00 0.00 1.10 0.00 0.00 33.01 34.27 1sdj s GLN 255 CO 0.26 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.23 1sdj n GLY 256 N 0.68 0.81 0.08 2.59 0.00 -0.51 -1.00 105.19 107.85 1sdj n GLY 256 Ca -0.09 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1sdj n GLY 256 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1sdj h ARG 257 N 2.71 -0.09 -0.04 1.61 2.43 -1.86 0.33 114.38 119.48 1sdj h ARG 257 Ca 0.00 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1sdj h ARG 257 Cb 0.00 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1sdj h ARG 257 CO 0.00 0.18 0.05 0.00 -1.51 0.00 0.00 179.97 178.69 1sdj h ALA 258 N 0.54 1.60 0.00 2.80 0.00 -1.94 0.11 119.26 122.37 1sdj h ALA 258 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sdj h ALA 258 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1sdj h ALA 258 CO 0.02 -0.07 -0.20 1.28 0.00 0.00 0.00 179.25 180.28 1sdj n LEU 259 N -3.85 0.23 -0.57 0.00 4.32 -1.10 -4.90 117.00 111.12 1sdj n LEU 259 Ca -0.02 0.31 -0.06 0.00 -0.02 0.00 0.00 56.01 56.21 1sdj n LEU 259 Cb 0.14 -0.39 -0.02 0.00 -1.62 0.00 0.00 43.42 41.52 1sdj n LEU 259 CO 0.28 0.04 -0.07 0.61 -1.22 0.00 0.00 177.39 177.03 1sdj n GLY 260 N 1.49 0.63 2.55 -0.72 0.00 0.03 -4.93 105.19 104.24 1sdj n GLY 260 Ca 0.06 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 1sdj n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sdj n ARG 261 N -2.44 2.04 -1.67 1.61 1.74 0.08 -4.75 116.66 113.27 1sdj n ARG 261 Ca -0.07 -3.90 -0.43 0.00 -0.77 0.00 0.00 57.85 52.68 1sdj n ARG 261 Cb 0.32 -1.80 -0.01 0.00 -1.02 0.00 0.00 32.46 29.95 1sdj n ARG 261 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1sdj n ASP 262 N -0.10 2.42 0.00 0.55 9.92 -1.07 -2.62 116.55 125.65 1sdj n ASP 262 Ca 0.25 1.19 0.00 0.00 -0.53 0.00 0.00 54.79 55.70 1sdj n ASP 262 Cb 0.66 -1.43 0.00 0.00 -0.64 0.00 0.00 41.12 39.70 1sdj n ASP 262 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sdj n GLY 263 N 1.04 4.22 3.50 0.44 0.00 -0.17 -0.26 105.19 113.96 1sdj n GLY 263 Ca 0.07 -0.98 -0.00 0.00 0.00 0.00 0.00 46.02 45.11 1sdj n GLY 263 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sdj s ILE 265 N -1.22 -0.36 -0.39 -0.61 1.01 -0.65 -2.31 121.20 116.68 1sdj s ILE 265 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 60.65 60.41 1sdj s ILE 265 Cb 0.00 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.49 1sdj s ILE 265 CO 0.00 0.00 0.85 -0.70 0.00 0.00 0.00 174.94 175.09 1sdj s GLU 266 N 2.09 3.72 -0.28 2.79 -6.30 0.14 -0.87 118.70 120.00 1sdj s GLU 266 Ca -0.05 0.35 -0.11 0.00 -2.50 0.00 0.00 54.97 52.66 1sdj s GLU 266 Cb -0.06 -3.83 -0.05 0.00 0.00 0.00 0.00 34.13 30.19 1sdj s GLU 266 CO -0.17 -0.96 0.19 0.08 0.02 0.00 0.00 175.26 174.42 1sdj s VAL 267 N 3.34 5.28 -0.18 3.70 1.01 0.14 -0.60 120.40 133.08 1sdj s VAL 267 Ca 0.34 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.47 1sdj s VAL 267 Cb -0.12 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.75 1sdj s VAL 267 CO 0.19 0.24 -0.20 0.42 0.00 0.00 0.00 175.10 175.75 1sdj s THR 268 N 1.75 2.04 -0.18 3.92 -4.23 -0.50 -0.18 115.64 118.26 1sdj s THR 268 Ca 0.07 -0.93 -0.05 0.00 -1.18 0.00 0.00 61.69 59.60 1sdj s THR 268 Cb -0.16 -1.84 -0.03 0.00 1.34 0.00 0.00 72.50 71.81 1sdj s THR 268 CO 0.11 0.54 -0.01 -0.69 -0.54 0.00 0.00 174.62 174.02 1sdj s VAL 269 N 1.25 3.95 -0.13 2.29 1.01 0.13 -2.12 120.40 126.78 1sdj s VAL 269 Ca 0.04 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.48 1sdj s VAL 269 Cb -0.13 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1sdj s VAL 269 CO -0.12 0.46 0.62 0.28 0.00 0.00 0.00 175.10 176.33 1sdj s THR 270 N 0.70 5.07 -0.01 3.92 -1.32 -1.09 -0.12 115.64 122.80 1sdj s THR 270 Ca -0.01 1.22 0.01 0.00 -1.21 0.00 0.00 61.69 61.70 1sdj s THR 270 Cb -0.14 -3.95 -0.04 0.00 -1.51 0.00 0.00 72.50 66.87 1sdj s THR 270 CO 0.02 0.21 0.00 -0.63 -2.21 0.00 0.00 174.62 172.02 1sdj s ILE 271 N 1.20 4.16 -0.09 5.08 1.01 0.21 -1.90 121.20 130.87 1sdj s ILE 271 Ca 0.31 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 1sdj s ILE 271 Cb -0.16 -2.85 0.04 0.00 0.01 0.00 0.00 42.46 39.50 1sdj s ILE 271 CO 0.13 0.39 0.22 -0.60 0.00 0.00 0.00 174.94 175.08 1sdj s ARG 272 N -1.52 0.18 -1.41 2.79 3.52 -0.79 -4.66 118.95 117.06 1sdj s ARG 272 Ca 0.19 0.48 -0.04 0.00 -0.13 0.00 0.00 55.73 56.23 1sdj s ARG 272 Cb -0.11 -0.12 0.02 0.00 -1.56 0.00 0.00 34.95 33.17 1sdj s ARG 272 CO 0.10 -0.16 0.31 -0.25 -0.81 0.00 0.00 175.30 174.49 1sdj n ASP 273 N 4.15 -4.97 -2.25 -2.12 8.00 -1.26 -0.79 116.55 117.31 1sdj n ASP 273 Ca -0.25 -0.14 -0.20 0.00 0.71 0.00 0.00 54.79 54.91 1sdj n ASP 273 Cb 0.53 -4.10 -0.02 0.00 -0.02 0.00 0.00 41.12 37.51 1sdj n ASP 273 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1sdj n ASN 274 N -2.19 -5.75 -4.30 -2.24 5.15 -1.26 -4.99 115.26 99.67 1sdj n ASN 274 Ca -0.13 0.02 -0.23 0.00 -0.60 0.00 0.00 54.58 53.65 1sdj n ASN 274 Cb 0.61 -4.79 -0.12 0.00 -0.53 0.00 0.00 39.78 34.95 1sdj n ASN 274 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1sdj s GLN 275 N -4.91 1.18 -0.87 1.20 -1.52 0.03 -4.74 119.66 110.02 1sdj s GLN 275 Ca 0.00 -1.26 -0.25 0.00 -1.95 0.00 0.00 55.36 51.90 1sdj s GLN 275 Cb 0.00 -1.35 0.04 0.00 -0.22 0.00 0.00 33.01 31.48 1sdj s GLN 275 CO 0.00 0.30 1.35 -1.25 -0.25 0.00 0.00 175.29 175.44 1sdj s PRO 276 N -2.29 3.38 0.07 2.91 0.04 -1.26 -1.88 135.00 135.98 1sdj s PRO 276 Ca 0.10 -0.68 -0.31 0.00 0.04 0.00 0.00 61.00 60.15 1sdj s PRO 276 Cb -0.08 -4.74 -0.18 0.00 0.04 0.00 0.00 34.50 29.54 1sdj s PRO 276 CO 0.05 -2.17 1.64 1.49 0.04 0.00 0.00 177.00 178.06 1sdj h GLU 277 N 9.90 -0.74 -3.21 4.56 4.81 -1.68 -3.40 114.58 124.82 1sdj h GLU 277 Ca -0.05 0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1sdj h GLU 277 Cb 1.03 0.17 -0.15 0.00 0.63 0.00 0.00 28.75 30.43 1sdj h GLU 277 CO 1.35 -0.50 -0.12 -1.59 -0.73 0.00 0.00 179.01 177.42 1sdj s LYS 278 N -6.07 0.95 -0.08 1.92 -2.85 -1.24 -4.17 119.74 108.20 1sdj s LYS 278 Ca -0.17 -0.51 0.04 0.00 -1.00 0.00 0.00 55.97 54.33 1sdj s LYS 278 Cb 0.04 0.42 -0.01 0.00 -2.06 0.00 0.00 37.83 36.22 1sdj s LYS 278 CO 0.63 -0.34 -0.21 0.08 0.10 0.00 0.00 175.35 175.61 1sdj s VAL 279 N -2.94 2.43 -0.06 1.79 1.01 0.16 -2.67 120.40 120.10 1sdj s VAL 279 Ca -0.02 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.09 1sdj s VAL 279 Cb 0.00 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1sdj s VAL 279 CO -0.06 0.56 -0.23 -0.89 0.00 0.00 0.00 175.10 174.48 1sdj s THR 280 N -0.07 1.93 0.01 3.92 2.01 -0.90 -0.32 115.64 122.22 1sdj s THR 280 Ca -0.05 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.02 1sdj s THR 280 Cb -0.14 -1.65 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 1sdj s THR 280 CO 0.04 0.54 -0.16 0.27 -0.69 0.00 0.00 174.62 174.62 1sdj s ILE 281 N -0.00 2.92 0.06 1.82 -4.36 -0.56 -1.41 121.20 119.66 1sdj s ILE 281 Ca -0.07 -1.02 0.01 0.00 -0.26 0.00 0.00 60.65 59.31 1sdj s ILE 281 Cb -0.14 -2.20 -0.04 0.00 1.25 0.00 0.00 42.46 41.33 1sdj s ILE 281 CO 0.05 0.42 -0.05 -0.44 0.24 0.00 0.00 174.94 175.15 1sdj s SER 282 N -1.22 0.76 0.03 4.36 0.01 0.23 0.00 113.70 117.87 1sdj s SER 282 Ca 0.14 -0.87 -0.27 0.00 1.31 0.00 0.00 55.95 56.26 1sdj s SER 282 Cb -0.11 0.12 0.10 0.00 0.21 0.00 0.00 66.02 66.34 1sdj s SER 282 CO 0.04 -0.45 1.23 -0.83 0.41 0.00 0.00 173.24 173.64 1sdj s GLY 283 N -2.56 -0.14 0.25 3.44 0.00 -0.74 0.27 107.32 107.83 1sdj s GLY 283 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.84 1sdj s GLY 283 CO -0.05 3.75 0.01 -0.37 0.00 0.00 0.00 173.10 176.44 1sdj n THR 284 N -0.77 0.00 -3.84 0.90 5.66 -1.26 -0.07 114.28 114.90 1sdj n THR 284 Ca -0.00 -1.20 -0.07 0.00 -3.05 0.00 0.00 64.05 59.73 1sdj n THR 284 Cb 0.60 0.28 -0.01 0.00 -1.55 0.00 0.00 70.33 69.64 1sdj n THR 284 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sdj s ALA 285 N -2.46 -1.25 -0.04 1.79 0.00 -1.01 -0.04 121.76 118.75 1sdj s ALA 285 Ca 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 51.68 1sdj s ALA 285 Cb 0.00 0.79 0.03 0.00 0.00 0.00 0.00 23.12 23.95 1sdj s ALA 285 CO 0.01 -1.04 0.07 0.54 0.00 0.00 0.00 175.76 175.35 1sdj s VAL 286 N -3.60 -0.06 -0.15 0.00 0.11 -0.75 -4.71 120.40 111.24 1sdj s VAL 286 Ca 0.12 0.21 -0.28 0.00 -2.93 0.00 0.00 61.98 59.10 1sdj s VAL 286 Cb -0.05 -0.14 -0.01 0.00 -1.53 0.00 0.00 36.38 34.65 1sdj s VAL 286 CO 0.07 0.09 0.94 -0.63 -3.33 0.00 0.00 175.10 172.23 1sdj s ILE 287 N 1.14 4.81 0.02 7.04 1.01 -1.26 -1.36 121.20 132.59 1sdj s ILE 287 Ca -0.09 1.87 -0.05 0.00 0.00 0.00 0.00 60.65 62.39 1sdj s ILE 287 Cb -0.12 -4.24 -0.29 0.00 0.01 0.00 0.00 42.46 37.82 1sdj s ILE 287 CO -0.04 -0.01 0.94 -0.07 0.00 0.00 0.00 174.94 175.76 1sdj h LEU 288 N 8.32 0.44 -7.03 2.97 4.07 -1.07 -3.49 115.31 119.53 1sdj h LEU 288 Ca -0.29 -0.55 0.33 0.00 0.08 0.00 0.00 57.88 57.45 1sdj h LEU 288 Cb 1.13 -0.14 -0.18 0.00 1.08 0.00 0.00 40.66 42.55 1sdj h LEU 288 CO 0.86 1.45 0.94 0.72 -1.08 0.00 0.00 178.44 181.33 1sdj s PHE 289 N -2.63 -0.04 0.04 1.13 -0.12 -1.22 -5.03 117.98 110.12 1sdj s PHE 289 Ca -0.08 0.01 -0.12 0.00 -0.05 0.00 0.00 56.93 56.69 1sdj s PHE 289 Cb 0.07 0.51 0.02 0.00 -0.63 0.00 0.00 43.02 42.98 1sdj s PHE 289 CO 0.87 -0.08 0.27 -3.38 -0.05 0.00 0.00 175.22 172.85 1sdj s HIS 290 N -2.15 -0.06 0.09 3.49 -3.43 -1.26 -1.06 115.29 110.91 1sdj s HIS 290 Ca 0.12 -0.08 -0.25 0.00 -0.80 0.00 0.00 55.06 54.06 1sdj s HIS 290 Cb 0.02 0.06 0.07 0.00 -1.43 0.00 0.00 32.58 31.29 1sdj s HIS 290 CO -0.04 -0.47 0.61 0.00 -2.00 0.00 0.00 174.74 172.84 1sdj s ALA 291 N -2.41 -1.60 0.06 -1.38 0.00 -0.28 -4.99 121.76 111.16 1sdj s ALA 291 Ca -0.06 0.70 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 1sdj s ALA 291 Cb -0.01 0.61 -0.05 0.00 0.00 0.00 0.00 23.12 23.67 1sdj s ALA 291 CO -0.03 -0.64 0.93 -2.00 0.00 0.00 0.00 175.76 174.02 1sdj s GLU 292 N -2.97 4.62 0.34 0.00 2.12 -1.26 -0.64 118.70 120.90 1sdj s GLU 292 Ca -0.03 1.36 -0.29 0.00 0.36 0.00 0.00 54.97 56.38 1sdj s GLU 292 Cb -0.01 -3.40 -0.11 0.00 0.26 0.00 0.00 34.13 30.87 1sdj s GLU 292 CO -0.06 0.14 1.50 0.91 -0.54 0.00 0.00 175.26 177.20 1sdj n TRP 293 N 3.17 2.84 1.34 5.30 7.02 -0.58 -4.87 117.44 131.65 1sdj n TRP 293 Ca 0.03 0.40 0.13 0.00 -1.02 0.00 0.00 57.50 57.04 1sdj n TRP 293 Cb 0.50 -2.54 0.43 0.00 -2.42 0.00 0.00 31.31 27.28 1sdj n TRP 293 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1sdj n ALA 294 N 1.00 2.88 -2.41 6.99 0.00 -1.26 -4.88 120.51 122.83 1sdj n ALA 294 Ca 0.04 -0.42 -0.28 0.00 0.00 0.00 0.00 53.44 52.78 1sdj n ALA 294 Cb 0.38 -1.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.56 1sdj n ALA 294 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1sdj s ILE 295 N -2.31 2.22 0.41 0.00 -4.36 -1.26 -5.11 121.20 110.78 1sdj s ILE 295 Ca 0.29 -1.79 -0.26 0.00 -0.26 0.00 0.00 60.65 58.64 1sdj s ILE 295 Cb 0.20 -1.98 -0.09 0.00 1.25 0.00 0.00 42.46 41.84 1sdj s ILE 295 CO 0.45 0.04 1.35 -0.70 0.24 0.00 0.00 174.94 176.32 1sdj s GLU 296 N -2.16 3.92 -0.24 0.37 2.56 -1.26 -5.01 118.70 116.89 1sdj s GLU 296 Ca 0.14 2.27 0.00 0.00 0.00 0.00 0.00 54.97 57.39 1sdj s GLU 296 Cb -0.10 -2.77 0.06 0.00 2.00 0.00 0.00 34.13 33.33 1sdj s GLU 296 CO 0.06 -0.57 -0.03 -0.51 -0.56 0.00 0.00 175.26 173.65 1sdj s LEU 297 N -2.45 2.47 0.00 2.70 1.43 -1.26 -5.09 118.68 116.49 1sdj s LEU 297 Ca 0.57 -1.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 1sdj s LEU 297 Cb -0.40 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 44.71 1sdj s LEU 297 CO 0.52 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.45 1sdj n GLY 298 N 4.71 2.46 0.00 -3.19 0.00 -1.26 -4.84 105.19 103.07 1sdj n GLY 298 Ca -0.10 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1sdj n GLY 298 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18