#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spj s VAL 17 N 0.00 4.64 -0.01 1.39 -7.23 0.20 -4.08 120.40 115.30 1spj s VAL 17 Ca 0.00 -0.29 0.00 0.00 -1.81 0.00 0.00 61.98 59.88 1spj s VAL 17 Cb 0.00 -3.04 0.00 0.00 0.56 0.00 0.00 36.38 33.90 1spj s VAL 17 CO 0.00 0.48 0.00 0.61 -0.31 0.00 0.00 175.10 175.88 1spj n GLY 18 N 1.64 0.46 0.00 2.32 0.00 -1.22 -1.54 105.19 106.85 1spj n GLY 18 Ca -0.16 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1spj n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1spj n GLY 19 N -2.69 2.49 3.30 -0.02 0.00 -1.26 -4.80 105.19 102.21 1spj n GLY 19 Ca -0.00 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 1spj n GLY 19 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1spj s TRP 20 N 2.74 0.42 0.09 1.61 -2.14 -0.19 -4.96 118.94 116.51 1spj s TRP 20 Ca 0.00 -0.79 -0.31 0.00 2.66 0.00 0.00 56.10 57.66 1spj s TRP 20 Cb 0.00 -0.10 -0.08 0.00 -3.10 0.00 0.00 33.47 30.19 1spj s TRP 20 CO 0.00 -0.68 1.43 -2.00 -2.66 0.00 0.00 176.95 173.05 1spj s GLU 21 N -3.96 4.29 0.60 3.25 2.12 -1.26 -0.07 118.70 123.66 1spj s GLU 21 Ca 0.16 2.10 -0.19 0.00 0.36 0.00 0.00 54.97 57.41 1spj s GLU 21 Cb 0.04 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.05 1spj s GLU 21 CO -0.01 -0.51 1.20 0.00 -0.54 0.00 0.00 175.26 175.40 1spj s GLU 23 N -3.37 4.12 0.22 0.00 2.56 -1.26 -4.84 118.70 116.14 1spj s GLU 23 Ca 0.77 2.56 -0.32 0.00 0.00 0.00 0.00 54.97 57.98 1spj s GLU 23 Cb -0.30 -3.00 -0.13 0.00 2.00 0.00 0.00 34.13 32.71 1spj s GLU 23 CO 0.33 -0.57 1.59 1.04 -0.56 0.00 0.00 175.26 177.09 1spj n GLN 24 N 1.21 2.43 -1.36 4.30 6.02 -1.26 -1.75 117.38 126.96 1spj n GLN 24 Ca 0.04 0.87 -0.12 0.00 -0.01 0.00 0.00 57.00 57.78 1spj n GLN 24 Cb 0.39 -2.64 -0.05 0.00 1.02 0.00 0.00 30.24 28.95 1spj n GLN 24 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1spj n HIS 25 N 2.94 0.00 0.49 1.08 8.25 -1.26 -4.88 115.22 121.84 1spj n HIS 25 Ca 0.14 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.72 1spj n HIS 25 Cb 0.33 -2.56 0.43 0.00 1.12 0.00 0.00 29.99 29.30 1spj n HIS 25 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1spj h SER 26 N 0.00 0.00 -2.17 0.41 4.64 -1.71 -3.28 113.55 111.44 1spj h SER 26 Ca -0.25 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.48 1spj h SER 26 Cb 1.02 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.70 1spj h SER 26 CO 0.37 0.00 -0.71 0.00 -0.87 0.00 0.00 176.83 175.62 1spj n GLN 27 N -2.41 2.28 0.00 4.77 1.13 -1.26 -4.96 117.38 116.94 1spj n GLN 27 Ca 0.04 -4.41 0.00 0.00 -1.94 0.00 0.00 57.00 50.69 1spj n GLN 27 Cb 0.37 -2.06 0.01 0.00 0.11 0.00 0.00 30.24 28.67 1spj n GLN 27 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1spj n PRO 28 N 0.73 0.00 0.00 -1.09 -0.04 -1.24 -1.24 135.00 132.12 1spj n PRO 28 Ca 0.28 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 64.30 1spj n PRO 28 Cb 0.44 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.62 1spj n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1spj n TRP 29 N -1.44 0.00 -2.03 0.54 2.14 -1.21 -1.95 117.44 113.48 1spj n TRP 29 Ca 0.00 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 1spj n TRP 29 Cb 0.00 -0.17 -0.03 0.00 -0.81 0.00 0.00 31.31 30.30 1spj n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1spj s GLN 30 N -2.84 4.24 0.18 -2.67 2.00 -0.37 -0.74 119.66 119.47 1spj s GLN 30 Ca 0.15 2.22 0.08 0.00 -2.00 0.00 0.00 55.36 55.80 1spj s GLN 30 Cb 0.18 -3.42 -0.04 0.00 0.80 0.00 0.00 33.01 30.53 1spj s GLN 30 CO 0.67 -0.61 -0.04 0.00 -0.50 0.00 0.00 175.29 174.80 1spj s ALA 31 N 1.94 3.09 -0.19 1.58 0.00 0.01 -4.23 121.76 123.96 1spj s ALA 31 Ca 0.69 -1.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 1spj s ALA 31 Cb -0.38 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 21.87 1spj s ALA 31 CO 0.30 0.46 -0.12 0.00 0.00 0.00 0.00 175.76 176.40 1spj s ALA 32 N -1.77 2.59 -0.18 0.00 0.00 -0.23 -2.15 121.76 120.03 1spj s ALA 32 Ca 0.27 -1.15 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 1spj s ALA 32 Cb -0.09 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.59 1spj s ALA 32 CO 0.17 -0.31 -0.09 -1.17 0.00 0.00 0.00 175.76 174.35 1spj s LEU 33 N 1.27 2.75 0.28 0.00 0.20 0.29 -1.12 118.68 122.34 1spj s LEU 33 Ca 0.03 -0.39 0.11 0.00 0.69 0.00 0.00 54.13 54.58 1spj s LEU 33 Cb -0.14 -1.66 -0.05 0.00 -0.43 0.00 0.00 46.19 43.91 1spj s LEU 33 CO -0.06 0.06 -0.15 -0.31 -0.29 0.00 0.00 176.35 175.61 1spj s TYR 34 N 0.98 2.40 -0.34 5.38 1.51 0.31 -1.08 117.35 126.51 1spj s TYR 34 Ca -0.01 -0.30 -0.06 0.00 -1.01 0.00 0.00 57.07 55.68 1spj s TYR 34 Cb -0.15 -1.05 0.04 0.00 -0.11 0.00 0.00 41.96 40.69 1spj s TYR 34 CO -0.01 0.69 0.10 -1.01 -1.11 0.00 0.00 175.55 174.22 1spj s HIS 35 N -2.46 3.26 0.00 2.71 3.76 -0.42 -1.90 115.29 120.23 1spj s HIS 35 Ca 0.30 -1.47 0.00 0.00 -0.15 0.00 0.00 55.06 53.74 1spj s HIS 35 Cb -0.05 -2.29 0.00 0.00 1.11 0.00 0.00 32.58 31.34 1spj s HIS 35 CO 0.16 -0.74 0.00 1.19 -0.85 0.00 0.00 174.74 174.50 1spj n PHE 36 N 4.80 0.00 -0.20 1.40 3.72 -0.86 -1.78 117.46 124.53 1spj n PHE 36 Ca -0.12 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.37 1spj n PHE 36 Cb 0.44 0.00 0.30 0.00 -0.94 0.00 0.00 39.48 39.29 1spj n PHE 36 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1spj n SER 38 N 5.32 3.86 -4.50 4.37 3.41 -1.26 -4.17 113.62 120.65 1spj n SER 38 Ca 0.00 -2.20 -0.37 0.00 -0.26 0.00 0.00 58.87 56.03 1spj n SER 38 Cb 0.00 -0.49 -0.12 0.00 -0.26 0.00 0.00 64.21 63.34 1spj n SER 38 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1spj s THR 39 N -1.49 4.75 0.31 6.66 2.01 -0.74 -5.07 115.64 122.07 1spj s THR 39 Ca 0.44 -0.09 -0.29 0.00 0.31 0.00 0.00 61.69 62.06 1spj s THR 39 Cb 0.26 -3.27 -0.11 0.00 0.01 0.00 0.00 72.50 69.38 1spj s THR 39 CO 0.25 0.25 1.51 0.12 -0.69 0.00 0.00 174.62 176.07 1spj s PHE 40 N 1.67 2.78 0.00 4.92 5.36 -1.26 -1.30 117.98 130.14 1spj s PHE 40 Ca 0.06 0.99 0.00 0.00 -0.96 0.00 0.00 56.93 57.02 1spj s PHE 40 Cb -0.16 -3.98 0.00 0.00 -0.34 0.00 0.00 43.02 38.54 1spj s PHE 40 CO 0.07 -3.12 0.00 1.04 -1.46 0.00 0.00 175.22 171.75 1spj n GLN 41 N 1.60 0.00 -4.01 10.12 1.13 -0.24 -4.88 117.38 121.10 1spj n GLN 41 Ca 0.05 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 55.02 1spj n GLN 41 Cb 0.39 -0.48 -0.06 0.00 0.11 0.00 0.00 30.24 30.20 1spj n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1spj s GLY 43 N -3.03 1.77 0.25 0.00 0.00 -0.02 -0.55 107.32 105.75 1spj s GLY 43 Ca 0.24 -1.50 -0.20 0.00 0.00 0.00 0.00 44.72 43.26 1spj s GLY 43 CO 0.09 -1.01 0.66 -0.32 0.00 0.00 0.00 173.10 172.51 1spj s GLY 44 N -4.64 -0.09 -0.04 0.20 0.00 -0.91 -3.76 107.32 98.08 1spj s GLY 44 Ca 0.64 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 45.10 1spj s GLY 44 CO 0.43 -0.14 -0.01 -0.42 0.00 0.00 0.00 173.10 172.96 1spj s ILE 45 N -3.90 0.31 -0.40 0.90 1.01 0.77 -0.81 121.20 119.09 1spj s ILE 45 Ca 0.11 0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.50 1spj s ILE 45 Cb -0.04 -0.39 0.02 0.00 0.01 0.00 0.00 42.46 42.05 1spj s ILE 45 CO 0.04 0.19 1.21 -0.22 0.00 0.00 0.00 174.94 176.15 1spj s LEU 46 N 1.13 3.73 0.00 2.97 2.96 0.08 -0.07 118.68 129.48 1spj s LEU 46 Ca -0.08 0.80 0.13 0.00 -0.22 0.00 0.00 54.13 54.76 1spj s LEU 46 Cb -0.14 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.06 1spj s LEU 46 CO -0.02 -1.18 0.82 1.33 -1.32 0.00 0.00 176.35 175.99 1spj n VAL 47 N 6.57 0.00 -3.48 1.68 0.24 -0.58 -1.29 118.33 121.46 1spj n VAL 47 Ca 0.13 -0.43 -0.13 0.00 -2.04 0.00 0.00 64.34 61.87 1spj n VAL 47 Cb 0.48 1.21 -0.04 0.00 -1.47 0.00 0.00 33.84 34.03 1spj n VAL 47 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1spj s HIS 48 N -1.34 -0.52 0.59 6.34 5.65 -1.16 -4.77 115.29 120.07 1spj s HIS 48 Ca 0.13 0.58 0.28 0.00 0.25 0.00 0.00 55.06 56.31 1spj s HIS 48 Cb 0.11 0.50 1.62 0.00 -1.18 0.00 0.00 32.58 33.62 1spj s HIS 48 CO 0.24 -0.67 2.07 0.00 -0.65 0.00 0.00 174.74 175.73 1spj h ARG 49 N 2.36 0.00 -0.12 2.88 3.08 -1.93 -2.06 114.38 118.59 1spj h ARG 49 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1spj h ARG 49 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1spj h ARG 49 CO 0.36 0.00 0.00 0.94 -1.07 0.00 0.00 179.97 180.20 1spj n GLN 50 N -3.81 2.44 -3.93 0.04 7.27 -1.26 -0.29 117.38 117.85 1spj n GLN 50 Ca 0.03 -2.22 -0.14 0.00 0.07 0.00 0.00 57.00 54.74 1spj n GLN 50 Cb 0.38 -1.38 -0.15 0.00 2.41 0.00 0.00 30.24 31.50 1spj n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1spj s TRP 51 N -1.95 0.17 -0.10 3.69 0.52 -0.78 -0.77 118.94 119.72 1spj s TRP 51 Ca 0.23 -0.00 0.02 0.00 0.02 0.00 0.00 56.10 56.37 1spj s TRP 51 Cb 0.18 -0.18 -0.02 0.00 -1.15 0.00 0.00 33.47 32.31 1spj s TRP 51 CO 0.06 -0.04 -0.16 0.08 0.02 0.00 0.00 176.95 176.91 1spj s VAL 52 N 0.32 2.80 -0.08 4.03 1.01 -0.29 -1.53 120.40 126.66 1spj s VAL 52 Ca -0.03 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 1spj s VAL 52 Cb -0.05 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1spj s VAL 52 CO -0.01 0.55 0.12 -0.22 0.00 0.00 0.00 175.10 175.54 1spj s LEU 53 N 0.01 4.21 0.00 3.92 2.96 0.89 -0.20 118.68 130.47 1spj s LEU 53 Ca -0.05 0.36 0.00 0.00 -0.22 0.00 0.00 54.13 54.22 1spj s LEU 53 Cb -0.15 -2.16 0.00 0.00 0.50 0.00 0.00 46.19 44.39 1spj s LEU 53 CO 0.05 0.36 0.00 1.07 -1.32 0.00 0.00 176.35 176.51 1spj n THR 54 N 1.72 0.00 -3.02 3.68 5.66 -0.10 -0.16 114.28 122.05 1spj n THR 54 Ca -0.17 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.44 1spj n THR 54 Cb 0.54 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.26 1spj n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1spj s ALA 55 N -1.18 3.46 0.50 1.79 0.00 -1.26 -0.65 121.76 124.42 1spj s ALA 55 Ca 0.00 0.31 0.15 0.00 0.00 0.00 0.00 51.96 52.42 1spj s ALA 55 Cb 0.00 -2.91 1.20 0.00 0.00 0.00 0.00 23.12 21.41 1spj s ALA 55 CO 0.00 0.31 2.13 0.00 0.00 0.00 0.00 175.76 178.19 1spj h ALA 56 N 4.28 1.94 0.00 0.00 0.00 -1.65 -0.95 119.26 122.87 1spj h ALA 56 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1spj h ALA 56 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1spj h ALA 56 CO 0.66 0.05 0.00 -2.39 0.00 0.00 0.00 179.25 177.57 1spj n HIS 57 N -4.51 0.00 0.70 0.00 1.44 -1.26 -1.72 115.22 109.87 1spj n HIS 57 Ca -0.02 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.80 1spj n HIS 57 Cb 0.10 -0.17 0.27 0.00 0.12 0.00 0.00 29.99 30.32 1spj n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1spj n ILE 59 N 1.00 3.24 -3.46 0.00 3.06 -0.70 -5.02 119.36 117.48 1spj n ILE 59 Ca 0.18 -0.50 -0.14 0.00 -2.50 0.00 0.00 62.75 59.79 1spj n ILE 59 Cb 0.49 -1.53 -0.03 0.00 0.54 0.00 0.00 39.64 39.10 1spj n ILE 59 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1spj s SER 60 N -0.80 -0.58 0.39 9.51 0.15 -1.26 -5.03 113.70 116.07 1spj s SER 60 Ca 0.68 0.23 0.21 0.00 0.70 0.00 0.00 55.95 57.77 1spj s SER 60 Cb -0.46 0.56 0.35 0.00 -1.71 0.00 0.00 66.02 64.77 1spj s SER 60 CO 0.53 -0.83 1.59 0.44 1.20 0.00 0.00 173.24 176.17 1spj h ASP 61 N 2.32 0.00 -3.22 5.45 3.32 -2.00 -3.43 116.42 118.85 1spj h ASP 61 Ca -0.31 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.23 1spj h ASP 61 Cb 1.25 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.40 1spj h ASP 61 CO 0.38 0.19 -0.76 0.20 -1.72 0.00 0.00 179.24 177.53 1spj s ASN 63 N -6.26 2.86 0.32 6.45 0.01 -1.26 -5.12 114.94 111.93 1spj s ASN 63 Ca 0.05 -0.82 0.08 0.00 -0.71 0.00 0.00 52.86 51.46 1spj s ASN 63 Cb 0.07 -0.54 -0.04 0.00 0.41 0.00 0.00 41.25 41.15 1spj s ASN 63 CO 0.69 -0.32 0.16 -0.31 -1.51 0.00 0.00 177.10 175.81 1spj s TYR 64 N 1.91 2.80 -0.18 2.20 2.02 -1.26 -2.04 117.35 122.80 1spj s TYR 64 Ca 0.00 -0.31 -0.01 0.00 -0.37 0.00 0.00 57.07 56.38 1spj s TYR 64 Cb -0.17 -1.58 0.05 0.00 -0.40 0.00 0.00 41.96 39.86 1spj s TYR 64 CO -0.09 0.36 -0.02 -0.65 -1.57 0.00 0.00 175.55 173.58 1spj s GLN 65 N -3.86 1.13 -0.11 -0.62 -0.21 -0.80 -4.63 119.66 110.56 1spj s GLN 65 Ca 0.37 -0.50 0.03 0.00 0.02 0.00 0.00 55.36 55.28 1spj s GLN 65 Cb -0.04 -2.03 0.00 0.00 1.00 0.00 0.00 33.01 31.94 1spj s GLN 65 CO 0.23 -0.51 -0.23 -1.17 -2.12 0.00 0.00 175.29 171.50 1spj s LEU 66 N 1.70 2.14 -0.04 2.90 2.96 -1.26 -0.53 118.68 126.56 1spj s LEU 66 Ca -0.00 -0.56 0.05 0.00 -0.22 0.00 0.00 54.13 53.40 1spj s LEU 66 Cb -0.16 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 1spj s LEU 66 CO -0.07 0.14 -0.19 0.26 -1.32 0.00 0.00 176.35 175.17 1spj s TRP 67 N 0.49 1.80 0.29 5.38 0.52 -0.28 -1.44 118.94 125.71 1spj s TRP 67 Ca -0.15 -0.47 0.09 0.00 0.02 0.00 0.00 56.10 55.59 1spj s TRP 67 Cb -0.17 -1.19 -0.04 0.00 -1.15 0.00 0.00 33.47 30.91 1spj s TRP 67 CO 0.06 -0.14 0.03 -0.51 0.02 0.00 0.00 176.95 176.41 1spj s LEU 68 N -0.11 3.17 -0.44 2.99 1.43 -0.11 -1.06 118.68 124.54 1spj s LEU 68 Ca -0.01 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1spj s LEU 68 Cb -0.11 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.46 1spj s LEU 68 CO 0.02 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.10 1spj n GLY 69 N -0.96 0.67 3.91 -3.19 0.00 -1.26 -1.00 105.19 103.37 1spj n GLY 69 Ca -0.05 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 1spj n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1spj s ARG 70 N -1.77 3.59 0.09 1.61 1.81 -1.26 -3.93 118.95 119.08 1spj s ARG 70 Ca 0.00 0.01 0.00 0.00 -1.72 0.00 0.00 55.73 54.02 1spj s ARG 70 Cb 0.00 -2.57 0.00 0.00 -0.45 0.00 0.00 34.95 31.93 1spj s ARG 70 CO 0.00 0.09 0.00 1.58 -0.68 0.00 0.00 175.30 176.29 1spj n HIS 71 N -1.44 -0.64 -3.90 -0.53 -0.00 -1.26 -4.77 115.22 102.68 1spj n HIS 71 Ca -0.02 0.11 -0.35 0.00 -0.00 0.00 0.00 57.72 57.47 1spj n HIS 71 Cb 0.55 0.32 -0.14 0.00 -0.00 0.00 0.00 29.99 30.72 1spj n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1spj s ASN 72 N -5.17 4.38 0.15 0.26 3.84 -1.26 -1.05 114.94 116.11 1spj s ASN 72 Ca 0.00 -0.46 0.17 0.00 0.21 0.00 0.00 52.86 52.78 1spj s ASN 72 Cb 0.00 -1.75 0.77 0.00 -0.55 0.00 0.00 41.25 39.72 1spj s ASN 72 CO 0.00 -0.05 1.53 0.18 -2.79 0.00 0.00 177.10 175.98 1spj n LEU 73 N 4.79 0.35 -0.19 3.21 4.77 0.05 -2.92 117.00 127.06 1spj n LEU 73 Ca -0.18 0.61 0.04 0.00 -0.03 0.00 0.00 56.01 56.45 1spj n LEU 73 Cb 0.50 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1spj n LEU 73 CO 0.29 -0.51 0.21 0.49 -1.33 0.00 0.00 177.39 176.54 1spj n PHE 74 N -1.91 0.00 -2.58 -1.77 3.01 -1.26 -5.02 117.46 107.93 1spj n PHE 74 Ca 0.02 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.19 1spj n PHE 74 Cb 0.15 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.62 1spj n PHE 74 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1spj s ASP 75 N -1.14 6.31 -0.78 4.37 1.01 -1.15 -5.00 116.67 120.30 1spj s ASP 75 Ca 0.07 1.03 -0.19 0.00 0.71 0.00 0.00 52.55 54.17 1spj s ASP 75 Cb 0.06 -2.29 0.12 0.00 1.01 0.00 0.00 42.92 41.82 1spj s ASP 75 CO 0.19 -0.58 0.96 -0.62 0.21 0.00 0.00 175.17 175.33 1spj s ASP 76 N -3.93 6.43 -0.22 0.27 2.15 -1.26 -4.99 116.67 115.12 1spj s ASP 76 Ca 0.49 -1.72 -0.14 0.00 0.43 0.00 0.00 52.55 51.61 1spj s ASP 76 Cb -0.10 -2.36 -0.04 0.00 -0.30 0.00 0.00 42.92 40.11 1spj s ASP 76 CO 0.43 -1.12 0.31 -1.61 -0.17 0.00 0.00 175.17 173.02 1spj s GLU 77 N 2.77 4.13 0.00 4.34 2.02 -1.26 -4.97 118.70 125.74 1spj s GLU 77 Ca 0.24 0.03 0.19 0.00 0.02 0.00 0.00 54.97 55.45 1spj s GLU 77 Cb -0.13 -3.54 1.12 0.00 0.10 0.00 0.00 34.13 31.68 1spj s GLU 77 CO -0.01 -0.01 1.56 0.27 0.02 0.00 0.00 175.26 177.09 1spj n ASN 78 N 4.43 0.00 -0.56 -0.19 0.23 -1.26 -1.96 115.26 115.96 1spj n ASN 78 Ca -0.11 -0.47 0.09 0.00 -0.53 0.00 0.00 54.58 53.56 1spj n ASN 78 Cb 0.51 -0.07 0.04 0.00 -2.08 0.00 0.00 39.78 38.18 1spj n ASN 78 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1spj n THR 79 N -1.07 0.00 -2.22 5.53 -2.24 -1.26 -4.99 114.28 108.03 1spj n THR 79 Ca 0.13 -0.41 -0.40 0.00 -2.27 0.00 0.00 64.05 61.10 1spj n THR 79 Cb 0.09 1.29 -0.03 0.00 -2.10 0.00 0.00 70.33 69.58 1spj n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1spj s ALA 80 N -1.79 3.45 -0.18 6.98 0.00 -0.83 -4.39 121.76 125.01 1spj s ALA 80 Ca 0.18 1.14 -0.00 0.00 0.00 0.00 0.00 51.96 53.28 1spj s ALA 80 Cb 0.15 -3.43 0.04 0.00 0.00 0.00 0.00 23.12 19.88 1spj s ALA 80 CO 0.34 -0.51 -0.07 -0.65 0.00 0.00 0.00 175.76 174.88 1spj s GLN 81 N -1.74 1.59 -0.20 0.00 -0.21 -0.17 -4.99 119.66 113.94 1spj s GLN 81 Ca 0.48 -0.61 -0.22 0.00 0.02 0.00 0.00 55.36 55.03 1spj s GLN 81 Cb -0.37 -2.13 -0.02 0.00 1.00 0.00 0.00 33.01 31.49 1spj s GLN 81 CO 0.49 -0.43 0.71 0.12 -2.12 0.00 0.00 175.29 174.05 1spj s PHE 82 N 1.57 3.37 -0.02 0.91 5.36 -1.26 -0.93 117.98 126.97 1spj s PHE 82 Ca 0.00 1.03 0.07 0.00 -0.96 0.00 0.00 56.93 57.08 1spj s PHE 82 Cb -0.16 -2.89 -0.02 0.00 -0.34 0.00 0.00 43.02 39.61 1spj s PHE 82 CO -0.08 -0.24 -0.24 0.14 -1.46 0.00 0.00 175.22 173.34 1spj s VAL 83 N 2.16 2.22 0.01 3.12 -7.23 -0.52 -5.01 120.40 115.15 1spj s VAL 83 Ca 0.32 -1.07 -0.14 0.00 -1.81 0.00 0.00 61.98 59.27 1spj s VAL 83 Cb -0.16 -1.79 -0.06 0.00 0.56 0.00 0.00 36.38 34.93 1spj s VAL 83 CO 0.10 0.56 0.41 -1.00 -0.31 0.00 0.00 175.10 174.87 1spj s HIS 84 N -0.65 3.72 -0.21 2.82 0.09 -1.26 -4.02 115.29 115.78 1spj s HIS 84 Ca 0.10 0.99 -0.11 0.00 -0.00 0.00 0.00 55.06 56.04 1spj s HIS 84 Cb -0.10 -2.28 -0.05 0.00 -0.00 0.00 0.00 32.58 30.15 1spj s HIS 84 CO -0.00 0.64 0.19 0.08 -0.00 0.00 0.00 174.74 175.64 1spj s VAL 85 N -1.10 5.36 0.01 -0.90 1.01 -1.26 -0.89 120.40 122.62 1spj s VAL 85 Ca 0.24 0.28 0.11 0.00 0.00 0.00 0.00 61.98 62.61 1spj s VAL 85 Cb -0.17 -3.53 -0.22 0.00 0.00 0.00 0.00 36.38 32.46 1spj s VAL 85 CO 0.14 0.37 0.85 0.77 0.00 0.00 0.00 175.10 177.23 1spj h SER 86 N 7.12 0.00 -4.27 3.32 4.64 -0.87 -3.46 113.55 120.04 1spj h SER 86 Ca -0.39 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 60.94 1spj h SER 86 Cb 1.16 -0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.03 1spj h SER 86 CO 0.71 1.01 0.39 -0.70 -0.87 0.00 0.00 176.83 177.36 1spj s GLU 87 N -2.63 0.75 -0.14 4.77 2.12 -1.25 -5.03 118.70 117.29 1spj s GLU 87 Ca -0.03 0.31 -0.07 0.00 0.36 0.00 0.00 54.97 55.54 1spj s GLU 87 Cb 0.09 0.36 -0.04 0.00 0.26 0.00 0.00 34.13 34.79 1spj s GLU 87 CO 0.82 -0.21 0.10 -1.12 -0.54 0.00 0.00 175.26 174.32 1spj s SER 88 N -0.83 6.04 -0.66 -1.70 0.01 -1.26 -2.13 113.70 113.17 1spj s SER 88 Ca -0.04 0.30 0.05 0.00 1.31 0.00 0.00 55.95 57.57 1spj s SER 88 Cb -0.01 -1.96 0.19 0.00 0.21 0.00 0.00 66.02 64.44 1spj s SER 88 CO 0.03 0.32 0.54 0.49 0.41 0.00 0.00 173.24 175.02 1spj n PHE 89 N 2.60 2.85 -2.33 2.43 3.01 0.12 -5.00 117.46 121.12 1spj n PHE 89 Ca -0.18 -4.17 -0.37 0.00 1.01 0.00 0.00 57.45 53.74 1spj n PHE 89 Cb 0.54 -0.52 -0.02 0.00 -0.01 0.00 0.00 39.48 39.47 1spj n PHE 89 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1spj s PRO 90 N -1.54 3.82 0.24 -1.08 0.04 -1.26 -1.37 135.00 133.85 1spj s PRO 90 Ca 0.29 1.69 -0.31 0.00 0.04 0.00 0.00 61.00 62.71 1spj s PRO 90 Cb 0.01 -2.39 -0.11 0.00 0.04 0.00 0.00 34.50 32.05 1spj s PRO 90 CO -0.14 -0.48 1.59 -1.58 0.04 0.00 0.00 177.00 176.43 1spj s HIS 91 N -1.60 2.91 0.63 0.56 2.46 -0.26 -4.86 115.29 115.12 1spj s HIS 91 Ca 0.63 0.69 0.35 0.00 0.47 0.00 0.00 55.06 57.20 1spj s HIS 91 Cb -0.26 -4.01 2.02 0.00 -0.13 0.00 0.00 32.58 30.20 1spj s HIS 91 CO 0.32 -3.55 2.26 -1.00 -2.47 0.00 0.00 174.74 170.30 1spj h PRO 92 N 5.77 0.00 0.00 2.88 0.13 -1.91 -2.39 132.00 136.48 1spj h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1spj h PRO 92 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1spj h PRO 92 CO 0.86 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 179.41 1spj h GLY 93 N 0.00 0.00 -4.65 1.56 0.00 -1.89 -3.45 103.07 94.64 1spj h GLY 93 Ca 0.01 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.80 1spj h GLY 93 CO -0.00 0.00 0.69 -0.12 0.00 0.00 0.00 176.54 177.11 1spj s PHE 94 N -3.48 3.19 -0.73 5.60 5.36 -0.90 -4.85 117.98 122.17 1spj s PHE 94 Ca 0.04 1.08 -0.26 0.00 -0.96 0.00 0.00 56.93 56.82 1spj s PHE 94 Cb 0.08 -3.54 0.01 0.00 -0.34 0.00 0.00 43.02 39.23 1spj s PHE 94 CO 0.58 -1.85 1.48 1.21 -1.46 0.00 0.00 175.22 175.18 1spj s ASN 95 N 1.37 5.89 0.40 6.13 3.84 -1.26 -4.85 114.94 126.45 1spj s ASN 95 Ca 0.61 -0.31 0.28 0.00 0.21 0.00 0.00 52.86 53.65 1spj s ASN 95 Cb -0.31 -2.55 1.38 0.00 -0.55 0.00 0.00 41.25 39.22 1spj s ASN 95 CO 0.27 -2.00 1.85 0.24 -2.79 0.00 0.00 177.10 174.67 1spj h MET 95 N 11.48 0.00 -2.96 0.43 2.86 -1.95 -3.39 114.93 121.40 1spj h MET 95 Ca -0.23 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.38 1spj h MET 95 Cb 1.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 1spj h MET 95 CO 1.27 0.00 0.48 0.43 1.06 0.00 0.00 176.91 180.16 1spj n SER 95 N -2.51 0.80 0.00 1.22 7.64 -1.26 -4.38 113.62 115.13 1spj n SER 95 Ca -0.00 -1.69 0.00 0.00 1.01 0.00 0.00 58.87 58.19 1spj n SER 95 Cb 0.13 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1spj n SER 95 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1spj n LEU 95 N 3.13 0.00 -4.94 -3.43 4.32 -1.26 -4.83 117.00 109.99 1spj n LEU 95 Ca 0.07 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.76 1spj n LEU 95 Cb 0.12 -0.11 0.21 0.00 -1.62 0.00 0.00 43.42 42.01 1spj n LEU 95 CO 0.27 0.00 0.89 -1.61 -1.22 0.00 0.00 177.39 175.72 1spj s GLU 95 N 0.00 0.36 -0.29 3.23 2.02 -1.26 -5.22 118.70 117.53 1spj s GLU 95 Ca 0.00 -0.51 -0.04 0.00 0.02 0.00 0.00 54.97 54.44 1spj s GLU 95 Cb 0.00 -1.82 0.03 0.00 0.10 0.00 0.00 34.13 32.44 1spj s GLU 95 CO 0.00 -2.59 0.02 0.54 0.02 0.00 0.00 175.26 173.25 1spj s ASN 95 N -4.95 4.87 0.00 -0.19 6.03 -1.26 -5.26 114.94 114.19 1spj s ASN 95 Ca 0.76 -1.04 0.00 0.00 -1.03 0.00 0.00 52.86 51.56 1spj s ASN 95 Cb -0.02 -1.76 0.00 0.00 -3.03 0.00 0.00 41.25 36.43 1spj s ASN 95 CO 0.54 -0.23 0.00 -2.11 -2.03 0.00 0.00 177.10 173.27 1spj n ARG 95 N 4.72 0.00 -0.32 3.55 -4.01 -1.26 -5.29 116.66 114.05 1spj n ARG 95 Ca -0.14 0.00 0.24 0.00 -1.04 0.00 0.00 57.85 56.91 1spj n ARG 95 Cb 0.45 -0.41 0.53 0.00 -3.04 0.00 0.00 32.46 29.99 1spj n ARG 95 CO 0.00 0.00 0.00 1.96 -3.04 0.00 0.00 177.63 176.55 1spj h GLN 95 N 3.51 0.35 -0.14 2.89 1.08 -1.98 -1.50 115.11 119.33 1spj h GLN 95 Ca 0.00 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.22 1spj h GLN 95 Cb 0.00 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.30 1spj h GLN 95 CO 0.00 0.23 -0.17 0.00 -0.95 0.00 0.00 178.83 177.94 1spj h ALA 95 N 1.61 -0.10 0.00 3.87 0.00 -1.99 -2.88 119.26 119.77 1spj h ALA 95 Ca 0.59 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.46 1spj h ALA 95 Cb 1.56 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 1spj h ALA 95 CO -0.28 -0.62 -0.42 -0.44 0.00 0.00 0.00 179.25 177.49 1spj h ASP 96 N -0.21 0.00 -1.02 0.00 3.32 -1.57 -3.39 116.42 113.53 1spj h ASP 96 Ca 0.10 0.00 -0.83 0.00 0.02 0.00 0.00 57.03 56.31 1spj h ASP 96 Cb 0.36 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.93 1spj h ASP 96 CO -0.26 0.42 0.42 -0.62 -1.72 0.00 0.00 179.24 177.48 1spj n GLU 97 N -4.02 0.05 -3.69 3.56 -0.58 -1.09 -4.74 120.64 110.14 1spj n GLU 97 Ca -0.02 0.02 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 1spj n GLU 97 Cb 0.45 -1.52 -0.15 0.00 -0.57 0.00 0.00 31.44 29.64 1spj n GLU 97 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1spj s ASP 98 N 1.69 3.55 -0.24 1.62 -1.08 -1.26 -1.03 116.67 119.92 1spj s ASP 98 Ca 0.99 -1.29 0.05 0.00 -0.52 0.00 0.00 52.55 51.77 1spj s ASP 98 Cb -1.38 -0.66 0.49 0.00 -1.46 0.00 0.00 42.92 39.91 1spj s ASP 98 CO 0.70 -0.39 1.50 -1.22 0.52 0.00 0.00 175.17 176.29 1spj n TYR 99 N 5.01 1.80 -1.66 -5.34 4.02 -1.26 -4.73 117.16 115.00 1spj n TYR 99 Ca -0.05 -1.03 -0.36 0.00 -0.01 0.00 0.00 57.90 56.44 1spj n TYR 99 Cb 0.44 -0.58 0.08 0.00 -0.02 0.00 0.00 39.34 39.25 1spj n TYR 99 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1spj s SER 100 N -0.53 4.46 -1.34 7.72 0.01 -1.26 -3.06 113.70 119.69 1spj s SER 100 Ca 0.38 2.59 0.00 0.00 1.31 0.00 0.00 55.95 60.22 1spj s SER 100 Cb 0.30 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.92 1spj s SER 100 CO 0.09 -2.10 0.00 1.41 0.41 0.00 0.00 173.24 173.05 1spj n HIS 101 N -2.10 -0.70 -1.41 2.43 8.25 -1.26 -4.25 115.22 116.17 1spj n HIS 101 Ca 0.16 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.22 1spj n HIS 101 Cb 0.48 -3.19 -0.02 0.00 1.12 0.00 0.00 29.99 28.38 1spj n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1spj n ASP 102 N -0.95 7.30 -4.10 0.41 -0.08 -1.17 -3.99 116.55 113.96 1spj n ASP 102 Ca -0.18 -2.64 -0.09 0.00 -1.51 0.00 0.00 54.79 50.37 1spj n ASP 102 Cb 0.63 -1.57 -0.10 0.00 2.34 0.00 0.00 41.12 42.42 1spj n ASP 102 CO 0.00 0.00 0.00 -1.48 0.12 0.00 0.00 177.20 175.84 1spj s LEU 103 N 0.74 2.46 -0.19 -2.67 2.34 -1.26 -2.93 118.68 117.17 1spj s LEU 103 Ca 0.63 -0.93 -0.18 0.00 0.06 0.00 0.00 54.13 53.71 1spj s LEU 103 Cb 0.17 0.08 0.05 0.00 -0.56 0.00 0.00 46.19 45.92 1spj s LEU 103 CO -0.07 -0.50 0.51 -0.32 -1.06 0.00 0.00 176.35 174.91 1spj s MET 104 N -3.51 0.60 -0.10 1.48 1.75 0.18 -1.10 119.30 118.59 1spj s MET 104 Ca 0.05 0.68 -0.04 0.00 -1.25 0.00 0.00 55.69 55.13 1spj s MET 104 Cb 0.04 0.29 -0.04 0.00 2.84 0.00 0.00 34.83 37.97 1spj s MET 104 CO -0.07 -0.08 0.06 -0.51 -0.65 0.00 0.00 175.02 173.78 1spj s LEU 105 N 0.22 3.92 -0.22 4.11 1.43 -0.47 -0.93 118.68 126.74 1spj s LEU 105 Ca -0.00 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1spj s LEU 105 Cb -0.04 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 44.29 1spj s LEU 105 CO 0.01 0.38 -0.13 -0.76 0.23 0.00 0.00 176.35 176.08 1spj s LEU 106 N -0.89 2.74 -0.02 1.79 1.43 0.72 0.10 118.68 124.56 1spj s LEU 106 Ca 0.13 -0.85 -0.26 0.00 -1.03 0.00 0.00 54.13 52.12 1spj s LEU 106 Cb -0.12 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1spj s LEU 106 CO 0.03 -0.08 0.83 -0.60 0.23 0.00 0.00 176.35 176.76 1spj s ARG 107 N 1.27 4.51 0.40 1.70 3.52 -0.91 -1.13 118.95 128.31 1spj s ARG 107 Ca 0.01 1.14 -0.10 0.00 -0.13 0.00 0.00 55.73 56.64 1spj s ARG 107 Cb -0.16 -3.44 -0.06 0.00 -1.56 0.00 0.00 34.95 29.73 1spj s ARG 107 CO -0.08 0.06 0.76 -0.51 -0.81 0.00 0.00 175.30 174.72 1spj s LEU 108 N 0.72 3.83 0.48 -0.88 1.43 0.05 -0.23 118.68 124.08 1spj s LEU 108 Ca 0.44 1.12 0.26 0.00 -1.03 0.00 0.00 54.13 54.91 1spj s LEU 108 Cb -0.20 -4.00 1.19 0.00 0.03 0.00 0.00 46.19 43.22 1spj s LEU 108 CO 0.23 -0.40 1.95 0.71 0.23 0.00 0.00 176.35 179.08 1spj h THR 109 N 1.09 0.57 -3.36 5.49 1.35 -1.34 -3.43 112.91 113.28 1spj h THR 109 Ca -0.47 -0.83 -0.05 0.00 -0.55 0.00 0.00 66.41 64.50 1spj h THR 109 Cb 1.19 1.55 -0.13 0.00 -1.73 0.00 0.00 68.15 69.03 1spj h THR 109 CO 0.64 0.17 -0.07 -1.83 -0.25 0.00 0.00 175.52 174.18 1spj s GLU 110 N -3.93 1.06 0.47 4.72 -1.05 -1.26 -5.06 118.70 113.66 1spj s GLU 110 Ca -0.01 -0.68 -0.24 0.00 -0.15 0.00 0.00 54.97 53.88 1spj s GLU 110 Cb 0.12 0.47 -0.07 0.00 -0.44 0.00 0.00 34.13 34.20 1spj s GLU 110 CO 0.61 -0.41 1.38 -1.25 0.95 0.00 0.00 175.26 176.54 1spj s PRO 111 N -3.72 3.60 0.76 -4.83 0.04 -1.26 -4.77 135.00 124.81 1spj s PRO 111 Ca 0.02 2.32 -0.11 0.00 0.04 0.00 0.00 61.00 63.27 1spj s PRO 111 Cb 0.02 -2.57 0.04 0.00 0.04 0.00 0.00 34.50 32.03 1spj s PRO 111 CO -0.11 -0.85 1.09 0.00 0.04 0.00 0.00 177.00 177.16 1spj s ALA 112 N -1.25 2.49 -0.23 8.56 0.00 0.61 -4.97 121.76 126.98 1spj s ALA 112 Ca 0.63 -0.20 -0.23 0.00 0.00 0.00 0.00 51.96 52.16 1spj s ALA 112 Cb -0.42 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 1spj s ALA 112 CO 0.52 -1.49 0.74 -0.51 0.00 0.00 0.00 175.76 175.03 1spj s ASP 113 N -4.01 6.75 0.00 0.00 1.01 -1.26 -4.93 116.67 114.24 1spj s ASP 113 Ca 0.60 0.93 0.03 0.00 0.71 0.00 0.00 52.55 54.82 1spj s ASP 113 Cb -0.13 -2.40 0.09 0.00 1.01 0.00 0.00 42.92 41.49 1spj s ASP 113 CO 0.54 -0.42 1.01 0.35 0.21 0.00 0.00 175.17 176.86 1spj n THR 114 N 5.07 0.86 0.05 -1.27 -2.24 -1.26 -4.66 114.28 110.83 1spj n THR 114 Ca 0.03 -0.93 -0.09 0.00 -2.27 0.00 0.00 64.05 60.79 1spj n THR 114 Cb 0.48 0.58 0.05 0.00 -2.10 0.00 0.00 70.33 69.35 1spj n THR 114 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1spj h ILE 114 N 0.66 1.38 -4.25 2.28 1.08 -1.92 -3.45 117.51 113.30 1spj h ILE 114 Ca 0.00 -2.07 -0.49 0.00 -0.39 0.00 0.00 64.86 61.92 1spj h ILE 114 Cb 0.51 2.05 0.04 0.00 -3.07 0.00 0.00 36.82 36.35 1spj h ILE 114 CO 0.00 0.62 0.39 0.42 -0.69 0.00 0.00 178.15 178.89 1spj s THR 115 N -3.69 4.45 0.07 -0.27 -4.23 -1.26 -4.96 115.64 105.75 1spj s THR 115 Ca -0.05 1.04 0.33 0.00 -1.18 0.00 0.00 61.69 61.82 1spj s THR 115 Cb 0.11 -3.69 0.35 0.00 1.34 0.00 0.00 72.50 70.60 1spj s THR 115 CO 0.83 -0.80 1.98 0.44 -0.54 0.00 0.00 174.62 176.53 1spj h ASP 116 N 0.41 0.00 1.32 3.99 3.32 -1.98 -3.15 116.42 120.33 1spj h ASP 116 Ca -0.46 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.56 1spj h ASP 116 Cb 1.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 1spj h ASP 116 CO 0.61 0.00 -0.14 0.00 -1.72 0.00 0.00 179.24 177.99 1spj h ALA 117 N 2.06 0.96 -3.39 3.45 0.00 -1.93 -3.44 119.26 116.98 1spj h ALA 117 Ca 0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 54.91 54.36 1spj h ALA 117 Cb 0.28 -0.02 -0.35 0.00 0.00 0.00 0.00 17.79 17.69 1spj h ALA 117 CO 0.00 0.18 -0.77 0.08 0.00 0.00 0.00 179.25 178.74 1spj s VAL 118 N -3.44 0.47 -0.01 0.00 1.01 -1.19 -4.12 120.40 113.11 1spj s VAL 118 Ca 0.03 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 1spj s VAL 118 Cb 0.08 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.93 1spj s VAL 118 CO 0.63 0.23 0.22 -0.54 0.00 0.00 0.00 175.10 175.65 1spj s LYS 119 N 1.29 0.55 0.03 2.72 1.02 -0.82 -4.52 119.74 120.01 1spj s LYS 119 Ca -0.05 -0.25 -0.29 0.00 0.02 0.00 0.00 55.97 55.39 1spj s LYS 119 Cb -0.14 0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.37 1spj s LYS 119 CO -0.02 -0.14 0.94 0.08 -0.92 0.00 0.00 175.35 175.29 1spj s VAL 120 N -1.24 4.75 0.55 3.17 1.01 -1.26 -3.36 120.40 124.02 1spj s VAL 120 Ca -0.13 2.00 -0.17 0.00 0.00 0.00 0.00 61.98 63.67 1spj s VAL 120 Cb -0.06 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 31.97 1spj s VAL 120 CO 0.03 0.23 1.04 0.54 0.00 0.00 0.00 175.10 176.93 1spj s VAL 121 N 0.60 3.95 -0.05 2.92 0.11 -0.42 -5.00 120.40 122.52 1spj s VAL 121 Ca 0.48 1.00 -0.21 0.00 -2.93 0.00 0.00 61.98 60.32 1spj s VAL 121 Cb -0.21 -3.47 -0.04 0.00 -1.53 0.00 0.00 36.38 31.12 1spj s VAL 121 CO 0.28 -0.47 0.62 -0.70 -3.33 0.00 0.00 175.10 171.49 1spj s GLU 122 N -3.86 4.38 0.47 1.54 2.56 -1.26 -4.83 118.70 117.70 1spj s GLU 122 Ca 0.64 0.75 -0.13 0.00 0.00 0.00 0.00 54.97 56.23 1spj s GLU 122 Cb -0.15 -3.40 -0.07 0.00 2.00 0.00 0.00 34.13 32.51 1spj s GLU 122 CO 0.31 0.21 0.88 -0.51 -0.56 0.00 0.00 175.26 175.59 1spj s LEU 123 N 0.35 3.70 0.63 2.70 1.43 -1.26 -0.99 118.68 125.23 1spj s LEU 123 Ca 0.33 1.34 -0.12 0.00 -1.03 0.00 0.00 54.13 54.65 1spj s LEU 123 Cb -0.18 -4.25 -0.03 0.00 0.03 0.00 0.00 46.19 41.76 1spj s LEU 123 CO 0.16 -0.51 1.03 -2.16 0.23 0.00 0.00 176.35 175.11 1spj s PRO 124 N -4.03 3.49 0.00 1.29 0.04 -1.24 -4.78 135.00 129.77 1spj s PRO 124 Ca 0.55 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1spj s PRO 124 Cb -0.10 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1spj s PRO 124 CO 0.33 -0.66 0.00 0.25 0.04 0.00 0.00 177.00 176.96 1spj n THR 125 N -2.71 0.00 -4.21 1.26 -2.24 -1.26 -4.91 114.28 100.21 1spj n THR 125 Ca 0.06 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.64 1spj n THR 125 Cb 0.54 0.07 -0.12 0.00 -2.10 0.00 0.00 70.33 68.72 1spj n THR 125 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1spj s GLU 128 N -1.39 0.92 0.54 -0.78 0.41 -1.26 -5.14 118.70 112.00 1spj s GLU 128 Ca 0.00 -1.01 -0.21 0.00 -0.41 0.00 0.00 54.97 53.34 1spj s GLU 128 Cb 0.00 -1.01 -0.05 0.00 -1.78 0.00 0.00 34.13 31.29 1spj s GLU 128 CO 0.00 0.23 1.22 -1.83 -0.49 0.00 0.00 175.26 174.39 1spj s GLU 129 N -1.78 3.26 0.16 1.61 -1.05 -1.26 -4.96 118.70 114.68 1spj s GLU 129 Ca 0.01 1.89 -0.30 0.00 -0.15 0.00 0.00 54.97 56.42 1spj s GLU 129 Cb -0.10 -2.15 -0.07 0.00 -0.44 0.00 0.00 34.13 31.37 1spj s GLU 129 CO 0.03 -0.99 1.10 -1.25 0.95 0.00 0.00 175.26 175.10 1spj s PRO 130 N -3.05 4.58 0.21 -4.83 0.04 -1.26 -4.96 135.00 125.73 1spj s PRO 130 Ca 0.72 1.70 -0.31 0.00 0.04 0.00 0.00 61.00 63.15 1spj s PRO 130 Cb -0.32 -3.30 -0.11 0.00 0.04 0.00 0.00 34.50 30.82 1spj s PRO 130 CO 0.36 0.04 1.64 -2.00 0.04 0.00 0.00 177.00 177.08 1spj s GLU 131 N -0.14 4.16 0.28 4.56 2.12 -1.26 -4.93 118.70 123.48 1spj s GLU 131 Ca 0.50 2.52 -0.30 0.00 0.36 0.00 0.00 54.97 58.05 1spj s GLU 131 Cb -0.29 -3.09 -0.11 0.00 0.26 0.00 0.00 34.13 30.91 1spj s GLU 131 CO 0.34 -0.67 1.48 0.08 -0.54 0.00 0.00 175.26 175.95 1spj s VAL 132 N 0.87 2.42 0.00 3.70 1.01 -1.26 -1.70 120.40 125.44 1spj s VAL 132 Ca 0.70 0.36 0.00 0.00 0.00 0.00 0.00 61.98 63.05 1spj s VAL 132 Cb -0.47 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1spj s VAL 132 CO 0.35 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1spj n GLY 133 N 1.95 1.52 3.85 4.51 0.00 0.11 -5.00 105.19 112.13 1spj n GLY 133 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1spj n GLY 133 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1spj s SER 134 N -1.91 5.45 -0.15 1.61 1.04 -0.69 -4.72 113.70 114.33 1spj s SER 134 Ca 0.00 1.33 -0.08 0.00 0.48 0.00 0.00 55.95 57.68 1spj s SER 134 Cb 0.00 -2.19 -0.04 0.00 0.10 0.00 0.00 66.02 63.88 1spj s SER 134 CO 0.00 -1.36 0.14 -0.89 0.98 0.00 0.00 173.24 172.11 1spj s THR 135 N -3.22 5.47 0.35 2.02 2.01 -1.26 -1.41 115.64 119.61 1spj s THR 135 Ca 0.58 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.82 1spj s THR 135 Cb -0.12 -3.43 -0.01 0.00 0.01 0.00 0.00 72.50 68.95 1spj s THR 135 CO 0.53 0.56 0.09 0.00 -0.69 0.00 0.00 174.62 175.11 1spj s LEU 137 N 0.00 2.00 0.06 0.00 2.96 0.74 -1.18 118.68 123.26 1spj s LEU 137 Ca 0.13 -0.12 0.08 0.00 -0.22 0.00 0.00 54.13 54.00 1spj s LEU 137 Cb 0.01 -0.34 -0.03 0.00 0.50 0.00 0.00 46.19 46.32 1spj s LEU 137 CO 0.09 0.08 -0.23 0.00 -1.32 0.00 0.00 176.35 174.97 1spj s ALA 138 N -0.14 2.00 0.14 5.97 0.00 -0.41 -0.32 121.76 129.01 1spj s ALA 138 Ca 0.02 -1.19 0.04 0.00 0.00 0.00 0.00 51.96 50.83 1spj s ALA 138 Cb -0.03 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1spj s ALA 138 CO -0.00 0.45 -0.09 -1.54 0.00 0.00 0.00 175.76 174.59 1spj s SER 139 N -1.37 1.64 0.00 0.00 1.04 -1.21 -1.89 113.70 111.91 1spj s SER 139 Ca 0.10 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.50 1spj s SER 139 Cb -0.09 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1spj s SER 139 CO 0.03 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.48 1spj n GLY 140 N -0.18 0.38 1.14 7.32 0.00 -0.61 -4.48 105.19 108.76 1spj n GLY 140 Ca -0.10 -1.15 0.04 0.00 0.00 0.00 0.00 46.02 44.80 1spj n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1spj n TRP 141 N -0.80 1.24 -1.34 1.61 8.01 -1.26 -1.50 117.44 123.40 1spj n TRP 141 Ca 0.00 -1.08 -0.30 0.00 -1.31 0.00 0.00 57.50 54.81 1spj n TRP 141 Cb 0.00 -0.42 0.23 0.00 -2.01 0.00 0.00 31.31 29.12 1spj n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1spj s GLY 142 N -1.90 1.66 0.32 6.99 0.00 -1.25 -4.40 107.32 108.73 1spj s GLY 142 Ca 0.45 -1.11 -0.29 0.00 0.00 0.00 0.00 44.72 43.77 1spj s GLY 142 CO 0.08 -0.22 1.40 -1.26 0.00 0.00 0.00 173.10 173.09 1spj n SER 143 N -4.54 3.14 -0.77 1.64 2.88 0.63 -2.86 113.62 113.74 1spj n SER 143 Ca 0.15 1.19 0.12 0.00 -1.33 0.00 0.00 58.87 59.00 1spj n SER 143 Cb 0.60 -1.52 0.15 0.00 -0.75 0.00 0.00 64.21 62.69 1spj n SER 143 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1spj n ILE 144 N 0.92 0.00 -4.83 2.46 -5.35 -0.43 -1.08 119.36 111.05 1spj n ILE 144 Ca 0.06 -0.40 -0.33 0.00 -0.27 0.00 0.00 62.75 61.81 1spj n ILE 144 Cb 0.36 1.27 -0.14 0.00 -1.74 0.00 0.00 39.64 39.39 1spj n ILE 144 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1spj s GLU 145 N -2.11 3.03 0.40 6.28 0.41 -1.26 -4.63 118.70 120.83 1spj s GLU 145 Ca 0.27 -0.69 0.09 0.00 -0.41 0.00 0.00 54.97 54.24 1spj s GLU 145 Cb 0.20 -2.52 0.83 0.00 -1.78 0.00 0.00 34.13 30.86 1spj s GLU 145 CO 0.37 0.37 1.96 -1.35 -0.49 0.00 0.00 175.26 176.12 1spj h PRO 146 N 6.17 0.28 0.00 0.39 0.11 -1.88 -3.40 132.00 133.66 1spj h PRO 146 Ca -0.34 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1spj h PRO 146 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1spj h PRO 146 CO 0.53 0.35 -0.62 -1.91 -0.21 0.00 0.00 178.00 176.14 1spj n GLU 147 N -4.33 0.00 -3.39 1.05 2.13 -1.26 -1.85 120.64 112.99 1spj n GLU 147 Ca -0.00 0.00 -0.45 0.00 0.66 0.00 0.00 57.16 57.37 1spj n GLU 147 Cb 0.22 -0.44 -0.05 0.00 0.27 0.00 0.00 31.44 31.44 1spj n GLU 147 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1spj s ASN 148 N -4.65 6.28 0.38 4.31 -0.87 -1.26 -5.03 114.94 114.10 1spj s ASN 148 Ca 0.00 -2.30 -0.26 0.00 -1.57 0.00 0.00 52.86 48.73 1spj s ASN 148 Cb 0.00 -2.15 -0.11 0.00 -0.02 0.00 0.00 41.25 38.97 1spj s ASN 148 CO 0.00 -0.67 1.15 0.49 -2.57 0.00 0.00 177.10 175.51 1spj n PHE 149 N 4.48 1.74 -3.72 2.20 3.72 -1.26 -4.72 117.46 119.90 1spj n PHE 149 Ca 0.01 0.56 -0.18 0.00 -0.05 0.00 0.00 57.45 57.79 1spj n PHE 149 Cb 0.43 -2.32 -0.17 0.00 -0.94 0.00 0.00 39.48 36.48 1spj n PHE 149 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1spj s SER 150 N -0.55 0.64 -0.23 4.37 0.15 -1.26 -4.97 113.70 111.84 1spj s SER 150 Ca 0.60 0.07 -0.07 0.00 0.70 0.00 0.00 55.95 57.25 1spj s SER 150 Cb -0.56 -0.09 -0.03 0.00 -1.71 0.00 0.00 66.02 63.62 1spj s SER 150 CO 0.59 -0.20 0.06 -0.36 1.20 0.00 0.00 173.24 174.53 1spj s PHE 151 N 1.68 3.10 0.35 3.44 0.40 -1.26 -1.32 117.98 124.37 1spj s PHE 151 Ca -0.01 -0.33 -0.25 0.00 -0.60 0.00 0.00 56.93 55.73 1spj s PHE 151 Cb -0.12 -2.19 -0.10 0.00 0.51 0.00 0.00 43.02 41.12 1spj s PHE 151 CO -0.03 -0.25 0.98 -1.25 0.70 0.00 0.00 175.22 175.37 1spj s PRO 152 N 1.30 4.44 0.21 0.24 0.04 -1.26 -4.97 135.00 135.00 1spj s PRO 152 Ca 0.05 1.38 0.07 0.00 0.04 0.00 0.00 61.00 62.54 1spj s PRO 152 Cb -0.15 -2.69 0.14 0.00 0.04 0.00 0.00 34.50 31.84 1spj s PRO 152 CO 0.03 0.13 1.48 -0.44 0.04 0.00 0.00 177.00 178.25 1spj h ASP 153 N 2.91 0.09 -2.99 6.66 5.19 -1.94 -3.45 116.42 122.89 1spj h ASP 153 Ca -0.47 -0.07 -0.62 0.00 -0.62 0.00 0.00 57.03 55.25 1spj h ASP 153 Cb 1.20 -0.03 -0.07 0.00 0.18 0.00 0.00 39.33 40.61 1spj h ASP 153 CO 0.64 0.81 -0.31 -1.81 -3.12 0.00 0.00 179.24 175.45 1spj s ASP 154 N -6.84 6.59 0.19 6.45 1.01 -1.26 -0.77 116.67 122.04 1spj s ASP 154 Ca -0.01 0.70 -0.33 0.00 0.71 0.00 0.00 52.55 53.62 1spj s ASP 154 Cb 0.11 -2.18 -0.13 0.00 1.01 0.00 0.00 42.92 41.73 1spj s ASP 154 CO 0.79 0.28 1.56 -0.11 0.21 0.00 0.00 175.17 177.91 1spj n LEU 155 N 2.36 3.29 -4.79 1.23 7.94 -0.21 -4.88 117.00 121.94 1spj n LEU 155 Ca -0.15 1.10 -0.27 0.00 -1.11 0.00 0.00 56.01 55.57 1spj n LEU 155 Cb 0.53 -1.46 -0.06 0.00 0.53 0.00 0.00 43.42 42.97 1spj n LEU 155 CO 0.36 -0.24 -0.23 -1.10 -1.11 0.00 0.00 177.39 175.07 1spj s GLN 156 N 0.58 2.88 0.04 1.96 -1.52 -0.56 -1.30 119.66 121.74 1spj s GLN 156 Ca 0.75 -0.83 0.04 0.00 -1.95 0.00 0.00 55.36 53.37 1spj s GLN 156 Cb -0.64 -2.66 -0.02 0.00 -0.22 0.00 0.00 33.01 29.47 1spj s GLN 156 CO 0.40 0.51 -0.11 0.00 -0.25 0.00 0.00 175.29 175.84 1spj s VAL 158 N -1.05 0.01 -0.04 0.00 0.11 -0.79 -1.02 120.40 117.61 1spj s VAL 158 Ca -0.03 -0.08 -0.19 0.00 -2.93 0.00 0.00 61.98 58.74 1spj s VAL 158 Cb -0.08 -0.90 -0.05 0.00 -1.53 0.00 0.00 36.38 33.82 1spj s VAL 158 CO 0.01 -0.05 0.54 1.51 -3.33 0.00 0.00 175.10 173.78 1spj s ASP 159 N -0.81 6.86 0.04 3.54 -4.77 -1.26 -1.29 116.67 118.98 1spj s ASP 159 Ca -0.09 1.03 0.03 0.00 -3.30 0.00 0.00 52.55 50.22 1spj s ASP 159 Cb -0.02 -2.33 -0.02 0.00 -1.09 0.00 0.00 42.92 39.46 1spj s ASP 159 CO 0.07 0.09 -0.09 -0.76 0.70 0.00 0.00 175.17 175.18 1spj s LEU 160 N -0.01 2.23 0.19 2.11 1.43 -0.33 -4.89 118.68 119.41 1spj s LEU 160 Ca 0.29 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.92 1spj s LEU 160 Cb -0.17 -0.25 -0.03 0.00 0.03 0.00 0.00 46.19 45.77 1spj s LEU 160 CO 0.15 -0.14 0.29 -0.54 0.23 0.00 0.00 176.35 176.33 1spj s LYS 161 N -1.42 3.34 -0.28 1.70 1.02 -0.47 0.43 119.74 124.08 1spj s LYS 161 Ca -0.07 -0.73 -0.24 0.00 0.02 0.00 0.00 55.97 54.95 1spj s LYS 161 Cb -0.09 -2.87 -0.00 0.00 -0.52 0.00 0.00 37.83 34.35 1spj s LYS 161 CO 0.01 0.47 0.81 0.42 -0.92 0.00 0.00 175.35 176.14 1spj s ILE 162 N -1.87 4.80 0.22 2.17 -1.09 -0.50 -0.99 121.20 123.94 1spj s ILE 162 Ca 0.34 1.37 0.06 0.00 -2.23 0.00 0.00 60.65 60.18 1spj s ILE 162 Cb -0.10 -4.14 -0.03 0.00 -1.58 0.00 0.00 42.46 36.61 1spj s ILE 162 CO 0.28 -0.18 0.23 -0.76 -1.23 0.00 0.00 174.94 173.28 1spj s LEU 163 N 2.93 3.99 0.41 2.97 1.43 0.18 0.07 118.68 130.66 1spj s LEU 163 Ca 0.34 -0.10 -0.26 0.00 -1.03 0.00 0.00 54.13 53.07 1spj s LEU 163 Cb -0.14 -2.55 -0.10 0.00 0.03 0.00 0.00 46.19 43.43 1spj s LEU 163 CO 0.10 -0.01 1.38 -2.65 0.23 0.00 0.00 176.35 175.40 1spj n PRO 164 N -1.00 2.24 0.24 1.29 -0.02 -1.26 -4.29 135.00 132.20 1spj n PRO 164 Ca -0.08 0.79 0.16 0.00 -2.02 0.00 0.00 63.50 62.35 1spj n PRO 164 Cb 0.57 -2.53 0.86 0.00 -0.02 0.00 0.00 33.50 32.38 1spj n PRO 164 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1spj h ASN 165 N 2.42 0.00 0.37 2.55 4.21 -1.95 -1.09 115.58 122.09 1spj h ASN 165 Ca -0.49 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.00 1spj h ASN 165 Cb 1.27 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.47 1spj h ASN 165 CO 0.62 0.00 -0.07 -2.24 -1.29 0.00 0.00 177.43 174.45 1spj h ASP 166 N 0.00 0.00 -0.66 5.81 3.04 -1.99 -0.92 116.42 121.70 1spj h ASP 166 Ca 0.05 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.76 1spj h ASP 166 Cb 0.31 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.58 1spj h ASP 166 CO -0.00 0.07 0.08 -0.33 -2.04 0.00 0.00 179.24 177.02 1spj h GLU 167 N 0.00 1.11 -0.07 4.15 4.39 -1.54 0.26 114.58 122.88 1spj h GLU 167 Ca -0.00 -0.31 -0.20 0.00 0.34 0.00 0.00 59.36 59.19 1spj h GLU 167 Cb 0.27 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1spj h GLU 167 CO 0.01 1.03 -0.78 0.00 -1.16 0.00 0.00 179.01 178.11 1spj h LYS 169 N 0.29 1.00 -0.30 0.00 1.57 -0.91 -1.93 116.57 116.30 1spj h LYS 169 Ca -0.04 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.43 1spj h LYS 169 Cb 1.38 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1spj h LYS 169 CO 0.14 0.83 -0.37 0.87 -0.57 0.00 0.00 179.45 180.35 1spj h LYS 170 N 0.96 0.68 -0.14 3.15 1.57 -0.89 -3.29 116.57 118.60 1spj h LYS 170 Ca 0.23 -0.33 -0.15 0.00 -1.87 0.00 0.00 60.65 58.53 1spj h LYS 170 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1spj h LYS 170 CO -0.02 0.94 -0.55 0.00 -0.57 0.00 0.00 179.45 179.25 1spj h ALA 171 N 1.03 0.80 -4.21 3.86 0.00 -0.95 -3.46 119.26 116.33 1spj h ALA 171 Ca 0.05 -0.51 -0.69 0.00 0.00 0.00 0.00 54.91 53.76 1spj h ALA 171 Cb 0.89 -0.09 -0.25 0.00 0.00 0.00 0.00 17.79 18.34 1spj h ALA 171 CO 0.08 0.69 -0.83 -1.01 0.00 0.00 0.00 179.25 178.18 1spj s HIS 172 N -3.94 2.50 -0.13 0.00 3.76 -0.76 -4.99 115.29 111.74 1spj s HIS 172 Ca -0.06 -0.30 0.16 0.00 -0.15 0.00 0.00 55.06 54.71 1spj s HIS 172 Cb 0.12 -1.51 0.16 0.00 1.11 0.00 0.00 32.58 32.46 1spj s HIS 172 CO 0.82 0.13 1.49 0.28 -0.85 0.00 0.00 174.74 176.61 1spj h VAL 173 N 4.25 0.83 -4.14 -0.90 2.07 -1.89 -3.45 116.25 113.01 1spj h VAL 173 Ca -0.46 -2.08 -0.52 0.00 0.82 0.00 0.00 66.70 64.46 1spj h VAL 173 Cb 1.14 2.35 0.11 0.00 -1.52 0.00 0.00 31.29 33.37 1spj h VAL 173 CO 0.48 0.46 0.42 -1.10 0.02 0.00 0.00 177.57 177.84 1spj s GLN 174 N -3.04 2.87 0.27 1.57 1.11 -1.25 -4.59 119.66 116.60 1spj s GLN 174 Ca 0.04 1.61 -0.30 0.00 0.01 0.00 0.00 55.36 56.72 1spj s GLN 174 Cb 0.08 -1.94 -0.10 0.00 -1.01 0.00 0.00 33.01 30.03 1spj s GLN 174 CO 0.73 -1.23 1.48 0.21 0.01 0.00 0.00 175.29 176.49 1spj s LYS 175 N -3.67 4.22 -0.22 2.91 2.20 -0.20 -5.00 119.74 119.98 1spj s LYS 175 Ca 0.72 2.39 0.02 0.00 -0.36 0.00 0.00 55.97 58.74 1spj s LYS 175 Cb -0.25 -3.08 0.05 0.00 -1.51 0.00 0.00 37.83 33.04 1spj s LYS 175 CO 0.36 -0.48 -0.13 0.08 -0.36 0.00 0.00 175.35 174.82 1spj s VAL 176 N -0.07 2.03 0.49 4.02 1.01 -1.26 -4.59 120.40 122.02 1spj s VAL 176 Ca 0.60 -1.31 0.05 0.00 0.00 0.00 0.00 61.98 61.33 1spj s VAL 176 Cb -0.44 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 1spj s VAL 176 CO 0.46 0.17 0.26 0.42 0.00 0.00 0.00 175.10 176.41 1spj s THR 177 N 1.22 1.86 -0.30 3.92 -4.23 -1.26 -4.92 115.64 111.92 1spj s THR 177 Ca -0.03 -1.63 0.24 0.00 -1.18 0.00 0.00 61.69 59.08 1spj s THR 177 Cb -0.17 -2.49 0.25 0.00 1.34 0.00 0.00 72.50 71.42 1spj s THR 177 CO -0.08 0.00 1.72 0.44 -0.54 0.00 0.00 174.62 176.16 1spj h ASP 178 N 1.09 0.00 -0.08 3.99 3.32 -2.02 -1.81 116.42 120.91 1spj h ASP 178 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1spj h ASP 178 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1spj h ASP 178 CO 0.64 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.65 1spj n PHE 179 N -2.31 0.10 -4.37 4.55 3.01 -1.26 -4.86 117.46 112.32 1spj n PHE 179 Ca 0.00 -0.05 -0.22 0.00 1.01 0.00 0.00 57.45 58.19 1spj n PHE 179 Cb 0.15 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.51 1spj n PHE 179 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1spj s MET 180 N -1.90 1.38 -0.01 -1.08 -1.94 -0.68 -1.23 119.30 113.83 1spj s MET 180 Ca 0.24 -1.50 0.04 0.00 -1.71 0.00 0.00 55.69 52.76 1spj s MET 180 Cb 0.12 -1.45 -0.03 0.00 2.01 0.00 0.00 34.83 35.48 1spj s MET 180 CO 0.18 0.29 -0.14 -0.51 -0.01 0.00 0.00 175.02 174.84 1spj s LEU 181 N -2.86 2.80 -0.24 -0.03 1.43 0.59 -4.68 118.68 115.67 1spj s LEU 181 Ca 0.19 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 52.94 1spj s LEU 181 Cb -0.05 -1.60 -0.05 0.00 0.03 0.00 0.00 46.19 44.51 1spj s LEU 181 CO 0.08 0.31 0.19 0.00 0.23 0.00 0.00 176.35 177.15 1spj s VAL 183 N 1.20 0.68 -3.35 0.00 1.01 0.29 -0.65 120.40 119.58 1spj s VAL 183 Ca 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1spj s VAL 183 Cb -0.14 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.63 1spj s VAL 183 CO 0.06 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1spj n GLY 184 N 3.30 0.46 2.83 4.51 0.00 -0.16 -1.19 105.19 114.94 1spj n GLY 184 Ca -0.18 -1.36 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 1spj n GLY 184 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1spj s HIS 185 N -4.00 -0.00 0.46 1.61 3.76 -1.26 -1.36 115.29 114.49 1spj s HIS 185 Ca 0.00 0.10 0.12 0.00 -0.15 0.00 0.00 55.06 55.13 1spj s HIS 185 Cb 0.00 -0.11 1.05 0.00 1.11 0.00 0.00 32.58 34.63 1spj s HIS 185 CO 0.00 -0.05 2.07 -0.07 -0.85 0.00 0.00 174.74 175.83 1spj h LEU 186 N 6.72 0.28 0.00 0.89 3.38 -1.97 0.43 115.31 125.04 1spj h LEU 186 Ca -0.35 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1spj h LEU 186 Cb 1.16 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1spj h LEU 186 CO 0.49 0.19 0.00 -1.84 0.09 0.00 0.00 178.44 177.37 1spj n GLU 186 N -4.49 0.07 0.00 1.13 0.00 -1.26 -0.63 120.64 115.46 1spj n GLU 186 Ca 0.03 0.12 0.00 0.00 0.00 0.00 0.00 57.16 57.31 1spj n GLU 186 Cb 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.11 1spj n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1spj n GLY 186 N 0.71 -0.18 3.55 -1.84 0.00 0.14 -4.31 105.19 103.26 1spj n GLY 186 Ca 0.06 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1spj n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1spj n GLY 187 N 0.00 1.90 3.46 -0.02 0.00 0.12 -4.76 105.19 105.89 1spj n GLY 187 Ca 0.00 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1spj n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1spj s LYS 188 N 0.00 3.62 0.01 1.61 1.02 -1.26 -3.45 119.74 121.29 1spj s LYS 188 Ca 0.00 -0.53 -0.29 0.00 0.02 0.00 0.00 55.97 55.17 1spj s LYS 188 Cb 0.00 -2.98 0.10 0.00 -0.52 0.00 0.00 37.83 34.43 1spj s LYS 188 CO 0.00 0.12 1.03 0.34 -0.92 0.00 0.00 175.35 175.92 1spj s ASP 189 N 0.68 -0.22 0.81 2.83 2.15 -0.59 -4.43 116.67 117.91 1spj s ASP 189 Ca -0.01 -0.15 -0.11 0.00 0.43 0.00 0.00 52.55 52.70 1spj s ASP 189 Cb -0.14 0.34 0.10 0.00 -0.30 0.00 0.00 42.92 42.92 1spj s ASP 189 CO 0.02 -0.60 1.17 0.42 -0.17 0.00 0.00 175.17 176.02 1spj s THR 190 N -2.95 2.05 0.27 1.71 -4.23 -1.26 -0.63 115.64 110.61 1spj s THR 190 Ca 0.09 -0.07 -0.05 0.00 -1.18 0.00 0.00 61.69 60.49 1spj s THR 190 Cb -0.00 -2.99 0.02 0.00 1.34 0.00 0.00 72.50 70.87 1spj s THR 190 CO -0.04 0.00 0.45 0.00 -0.54 0.00 0.00 174.62 174.49 1spj n VAL 192 N -0.41 0.17 0.00 0.00 0.31 -1.26 -1.08 118.33 116.06 1spj n VAL 192 Ca -0.02 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1spj n VAL 192 Cb 0.44 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 1spj n VAL 192 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1spj n GLY 193 N 3.77 1.99 0.10 2.92 0.00 -1.26 -0.27 105.19 112.43 1spj n GLY 193 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1spj n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1spj h ASP 194 N 0.00 0.00 -3.53 1.61 3.32 -1.40 -3.34 116.42 113.07 1spj h ASP 194 Ca 0.00 -0.12 -0.57 0.00 0.02 0.00 0.00 57.03 56.36 1spj h ASP 194 Cb 0.00 0.00 0.16 0.00 0.22 0.00 0.00 39.33 39.71 1spj h ASP 194 CO 0.00 0.06 0.16 -1.54 -1.72 0.00 0.00 179.24 176.20 1spj n SER 195 N -2.39 0.94 0.00 6.45 3.41 -1.26 -2.08 113.62 118.69 1spj n SER 195 Ca 0.02 0.85 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 1spj n SER 195 Cb 0.48 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 1spj n SER 195 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1spj n GLY 196 N 1.24 2.73 3.93 5.00 0.00 0.36 -0.84 105.19 117.62 1spj n GLY 196 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1spj n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1spj s GLY 197 N -1.91 1.75 0.40 -0.02 0.00 -0.89 -3.07 107.32 103.58 1spj s GLY 197 Ca 0.00 -1.17 -0.18 0.00 0.00 0.00 0.00 44.72 43.37 1spj s GLY 197 CO 0.00 -0.49 0.87 2.56 0.00 0.00 0.00 173.10 176.04 1spj s PRO 198 N -5.71 4.10 -0.26 2.90 0.04 -1.26 -1.24 135.00 133.57 1spj s PRO 198 Ca 0.70 0.92 0.01 0.00 0.04 0.00 0.00 61.00 62.67 1spj s PRO 198 Cb -0.05 -2.27 0.07 0.00 0.04 0.00 0.00 34.50 32.29 1spj s PRO 198 CO 0.51 0.01 -0.02 -1.17 0.04 0.00 0.00 177.00 176.38 1spj s LEU 199 N -3.22 2.94 -0.16 -3.56 2.96 -0.59 -3.33 118.68 113.71 1spj s LEU 199 Ca 0.58 -1.42 -0.10 0.00 -0.22 0.00 0.00 54.13 52.97 1spj s LEU 199 Cb -0.10 -1.23 -0.05 0.00 0.50 0.00 0.00 46.19 45.32 1spj s LEU 199 CO 0.17 -0.29 0.18 -0.04 -1.32 0.00 0.00 176.35 175.05 1spj s MET 200 N 1.33 3.98 -0.06 1.98 -1.94 0.56 -1.35 119.30 123.80 1spj s MET 200 Ca -0.01 -0.10 -0.01 0.00 -1.71 0.00 0.00 55.69 53.87 1spj s MET 200 Cb -0.19 -3.35 0.03 0.00 2.01 0.00 0.00 34.83 33.33 1spj s MET 200 CO -0.09 0.44 -0.00 0.00 -0.01 0.00 0.00 175.02 175.36 1spj n ASP 202 N 4.84 -3.97 0.00 0.00 2.03 -1.26 -2.05 116.55 116.14 1spj n ASP 202 Ca -0.12 -0.88 0.00 0.00 0.52 0.00 0.00 54.79 54.31 1spj n ASP 202 Cb 0.50 -3.40 0.00 0.00 -0.72 0.00 0.00 41.12 37.50 1spj n ASP 202 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1spj n GLY 207 N -1.58 0.99 3.30 0.27 0.00 -1.26 -5.04 105.19 101.87 1spj n GLY 207 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1spj n GLY 207 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1spj s VAL 208 N -3.62 1.66 -0.16 1.61 -7.23 -0.87 -4.54 120.40 107.25 1spj s VAL 208 Ca 0.00 -1.83 -0.29 0.00 -1.81 0.00 0.00 61.98 58.04 1spj s VAL 208 Cb 0.00 -1.73 -0.01 0.00 0.56 0.00 0.00 36.38 35.19 1spj s VAL 208 CO 0.00 -0.33 1.25 -0.22 -0.31 0.00 0.00 175.10 175.49 1spj s LEU 209 N -2.56 4.19 -0.02 1.32 2.96 -0.16 -1.28 118.68 123.13 1spj s LEU 209 Ca 0.13 1.69 0.07 0.00 -0.22 0.00 0.00 54.13 55.80 1spj s LEU 209 Cb -0.06 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.98 1spj s LEU 209 CO 0.05 -0.75 0.14 0.00 -1.32 0.00 0.00 176.35 174.47 1spj n GLN 210 N 6.51 0.74 -3.92 1.98 1.13 -0.45 -3.61 117.38 119.75 1spj n GLN 210 Ca 0.14 -0.06 -0.08 0.00 -1.94 0.00 0.00 57.00 55.06 1spj n GLN 210 Cb 0.45 -1.18 -0.08 0.00 0.11 0.00 0.00 30.24 29.54 1spj n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1spj s GLY 211 N -3.06 0.22 -0.23 1.08 0.00 -1.01 -1.53 107.32 102.79 1spj s GLY 211 Ca -0.03 -0.79 -0.01 0.00 0.00 0.00 0.00 44.72 43.89 1spj s GLY 211 CO 0.31 -0.94 -0.10 0.14 0.00 0.00 0.00 173.10 172.50 1spj s VAL 212 N -3.88 2.63 0.06 1.40 1.01 -1.02 -1.55 120.40 119.06 1spj s VAL 212 Ca 0.06 -0.99 -0.36 0.00 0.00 0.00 0.00 61.98 60.70 1spj s VAL 212 Cb 0.06 -2.28 -0.15 0.00 0.00 0.00 0.00 36.38 34.01 1spj s VAL 212 CO -0.10 0.31 1.54 0.41 0.00 0.00 0.00 175.10 177.26 1spj n THR 213 N 4.65 0.10 0.04 3.92 -1.04 -0.37 -0.53 114.28 121.05 1spj n THR 213 Ca -0.18 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1spj n THR 213 Cb 0.48 -1.29 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 1spj n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1spj n SER 214 N 3.66 0.78 -3.84 8.00 2.88 -0.88 -0.49 113.62 123.73 1spj n SER 214 Ca 0.19 0.13 -0.09 0.00 -1.33 0.00 0.00 58.87 57.77 1spj n SER 214 Cb 0.24 -0.22 -0.04 0.00 -0.75 0.00 0.00 64.21 63.44 1spj n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1spj s TRP 215 N -1.76 0.02 0.00 0.66 1.48 -0.71 -4.85 118.94 113.78 1spj s TRP 215 Ca 0.00 -0.39 0.00 0.00 -1.06 0.00 0.00 56.10 54.65 1spj s TRP 215 Cb 0.00 0.39 0.00 0.00 -1.16 0.00 0.00 33.47 32.70 1spj s TRP 215 CO 0.00 -1.00 0.00 0.41 -4.06 0.00 0.00 176.95 172.30 1spj n GLY 216 N -0.37 1.87 3.62 3.67 0.00 -1.26 -0.80 105.19 111.92 1spj n GLY 216 Ca -0.06 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 1spj n GLY 216 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1spj s TYR 217 N -4.40 3.03 -0.11 1.61 5.04 -1.26 -5.04 117.35 116.23 1spj s TYR 217 Ca 0.00 0.07 -0.01 0.00 -2.44 0.00 0.00 57.07 54.69 1spj s TYR 217 Cb 0.00 -1.76 -0.03 0.00 0.35 0.00 0.00 41.96 40.52 1spj s TYR 217 CO 0.00 0.36 -0.06 0.08 -1.34 0.00 0.00 175.55 174.59 1spj s VAL 218 N -0.75 3.74 0.32 3.14 1.01 -1.26 -3.09 120.40 123.51 1spj s VAL 218 Ca 0.11 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 1spj s VAL 218 Cb -0.11 -2.58 -0.11 0.00 0.00 0.00 0.00 36.38 33.58 1spj s VAL 218 CO 0.02 0.55 1.53 -2.84 0.00 0.00 0.00 175.10 174.36 1spj s PRO 219 N -0.24 4.14 0.53 2.72 0.02 -1.26 -5.10 135.00 135.81 1spj s PRO 219 Ca 0.03 2.53 -0.21 0.00 0.02 0.00 0.00 61.00 63.38 1spj s PRO 219 Cb -0.13 -3.01 -0.05 0.00 0.02 0.00 0.00 34.50 31.33 1spj s PRO 219 CO 0.03 -0.56 1.25 0.00 -0.33 0.00 0.00 177.00 177.39 1spj n GLY 220 N 0.58 0.62 3.75 0.00 0.00 -1.26 -4.68 105.19 104.19 1spj n GLY 220 Ca 0.10 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 1spj n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1spj s THR 221 N -2.05 3.33 0.53 2.61 2.01 -1.17 0.10 115.64 121.02 1spj s THR 221 Ca 0.00 1.21 -0.22 0.00 0.31 0.00 0.00 61.69 62.99 1spj s THR 221 Cb 0.00 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 1spj s THR 221 CO 0.00 0.24 1.32 -2.65 -0.69 0.00 0.00 174.62 172.84 1spj n PRO 222 N 1.85 1.68 -3.05 4.92 -0.02 -1.26 -2.28 135.00 136.83 1spj n PRO 222 Ca 0.02 0.62 -0.21 0.00 -2.02 0.00 0.00 63.50 61.91 1spj n PRO 222 Cb 0.44 -2.53 0.01 0.00 -0.02 0.00 0.00 33.50 31.40 1spj n PRO 222 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1spj n ASN 223 N -0.83 -4.55 -3.18 2.55 3.02 0.20 -4.89 115.26 107.58 1spj n ASN 223 Ca 0.10 -0.23 -0.19 0.00 -0.03 0.00 0.00 54.58 54.23 1spj n ASN 223 Cb 0.44 -3.75 -0.04 0.00 -0.61 0.00 0.00 39.78 35.82 1spj n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1spj n LYS 224 N -3.62 0.90 -1.06 3.52 4.76 -0.97 -4.68 118.16 117.02 1spj n LYS 224 Ca -0.08 -3.29 -0.31 0.00 -2.87 0.00 0.00 58.31 51.75 1spj n LYS 224 Cb 0.58 -1.56 0.12 0.00 -1.84 0.00 0.00 35.03 32.34 1spj n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1spj s PRO 225 N -2.01 1.75 0.66 1.97 0.04 -1.26 -4.57 135.00 131.57 1spj s PRO 225 Ca 0.38 1.39 -0.00 0.00 0.04 0.00 0.00 61.00 62.81 1spj s PRO 225 Cb 0.30 -1.82 0.09 0.00 0.04 0.00 0.00 34.50 33.10 1spj s PRO 225 CO -0.09 -2.06 0.91 -1.12 0.04 0.00 0.00 177.00 174.68 1spj s SER 226 N -2.92 4.73 -0.04 6.66 0.01 -0.33 -4.69 113.70 117.12 1spj s SER 226 Ca 0.65 -0.17 0.04 0.00 1.31 0.00 0.00 55.95 57.78 1spj s SER 226 Cb -0.21 -0.42 -0.00 0.00 0.21 0.00 0.00 66.02 65.60 1spj s SER 226 CO 0.55 -1.57 -0.15 -0.69 0.41 0.00 0.00 173.24 171.78 1spj s VAL 227 N -3.01 1.29 0.23 3.43 1.01 0.02 -0.55 120.40 122.83 1spj s VAL 227 Ca 0.62 -0.64 0.11 0.00 0.00 0.00 0.00 61.98 62.07 1spj s VAL 227 Cb -0.08 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 1spj s VAL 227 CO 0.42 0.37 -0.21 0.00 0.00 0.00 0.00 175.10 175.69 1spj s ALA 228 N 0.03 2.54 0.16 5.51 0.00 -0.30 -1.73 121.76 127.97 1spj s ALA 228 Ca -0.03 -1.75 -0.30 0.00 0.00 0.00 0.00 51.96 49.88 1spj s ALA 228 Cb -0.10 -0.26 -0.08 0.00 0.00 0.00 0.00 23.12 22.68 1spj s ALA 228 CO 0.02 0.30 1.25 0.08 0.00 0.00 0.00 175.76 177.40 1spj s VAL 229 N -2.25 3.54 -0.94 0.00 1.01 0.32 -0.30 120.40 121.77 1spj s VAL 229 Ca 0.25 1.22 -0.24 0.00 0.00 0.00 0.00 61.98 63.21 1spj s VAL 229 Cb -0.06 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.58 1spj s VAL 229 CO 0.12 0.16 1.48 -0.60 0.00 0.00 0.00 175.10 176.26 1spj s ARG 230 N 0.17 3.37 0.32 2.72 3.52 -0.37 -2.43 118.95 126.25 1spj s ARG 230 Ca 0.56 -0.80 0.08 0.00 -0.13 0.00 0.00 55.73 55.44 1spj s ARG 230 Cb -0.33 -5.05 0.80 0.00 -1.56 0.00 0.00 34.95 28.80 1spj s ARG 230 CO 0.35 -2.33 1.78 0.28 -0.81 0.00 0.00 175.30 174.56 1spj h VAL 231 N 6.69 0.68 -0.58 7.11 2.07 -1.60 -1.14 116.25 129.47 1spj h VAL 231 Ca 0.07 -0.24 0.11 0.00 0.82 0.00 0.00 66.70 67.46 1spj h VAL 231 Cb 1.02 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1spj h VAL 231 CO 1.37 0.13 0.39 0.25 0.02 0.00 0.00 177.57 179.73 1spj h LEU 232 N 0.71 0.30 -1.33 2.57 5.85 -1.87 0.45 115.31 121.98 1spj h LEU 232 Ca 0.58 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.31 1spj h LEU 232 Cb 0.98 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1spj h LEU 232 CO -0.38 0.17 0.00 0.28 -0.34 0.00 0.00 178.44 178.18 1spj h SER 233 N 0.33 0.00 -0.12 1.25 0.02 -1.60 -3.08 113.55 110.36 1spj h SER 233 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1spj h SER 233 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1spj h SER 233 CO -0.07 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.40 1spj n TYR 234 N -2.59 0.16 -0.31 3.45 4.01 0.12 -4.70 117.16 117.29 1spj n TYR 234 Ca 0.00 -0.33 -0.00 0.00 -0.16 0.00 0.00 57.90 57.42 1spj n TYR 234 Cb 0.20 -0.02 0.13 0.00 -0.31 0.00 0.00 39.34 39.33 1spj n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1spj h VAL 235 N 1.07 1.08 -0.47 -0.72 2.07 -1.38 0.97 116.25 118.88 1spj h VAL 235 Ca 0.00 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1spj h VAL 235 Cb 0.49 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1spj h VAL 235 CO 0.00 0.18 0.27 0.50 0.02 0.00 0.00 177.57 178.54 1spj h LYS 236 N 1.00 0.64 -0.65 1.57 3.64 -1.84 0.11 116.57 121.04 1spj h LYS 236 Ca 0.36 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1spj h LYS 236 Cb 0.10 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1spj h LYS 236 CO -0.15 0.48 0.28 2.35 -2.27 0.00 0.00 179.45 180.14 1spj h TRP 237 N 0.62 0.97 -0.08 1.91 7.01 -1.68 0.90 115.95 125.59 1spj h TRP 237 Ca 0.17 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 1spj h TRP 237 Cb 0.02 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 26.78 1spj h TRP 237 CO -0.03 0.75 0.04 0.82 -2.79 0.00 0.00 178.44 177.23 1spj h ILE 238 N 0.90 1.11 -0.49 2.65 2.04 -0.38 0.26 117.51 123.61 1spj h ILE 238 Ca 0.22 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1spj h ILE 238 Cb 0.18 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1spj h ILE 238 CO -0.02 0.10 0.24 -0.33 0.00 0.00 0.00 178.15 178.13 1spj h GLU 239 N 0.00 0.70 -0.57 2.37 5.08 -0.62 -1.89 114.58 119.65 1spj h GLU 239 Ca 0.03 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1spj h GLU 239 Cb 0.12 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1spj h GLU 239 CO -0.00 0.59 0.14 -0.44 -1.00 0.00 0.00 179.01 178.29 1spj h ASP 240 N 0.64 0.87 -0.56 1.42 3.32 -0.73 -0.57 116.42 120.82 1spj h ASP 240 Ca 0.17 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1spj h ASP 240 Cb 0.12 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1spj h ASP 240 CO -0.02 0.88 0.27 0.74 -1.72 0.00 0.00 179.24 179.39 1spj h THR 241 N 0.82 1.20 -0.42 0.35 2.02 -0.78 -0.56 112.91 115.55 1spj h THR 241 Ca 0.18 -0.57 -0.06 0.00 0.77 0.00 0.00 66.41 66.74 1spj h THR 241 Cb 0.35 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1spj h THR 241 CO 0.00 0.23 0.04 0.40 0.37 0.00 0.00 175.52 176.56 1spj h ILE 242 N 0.75 1.25 -0.56 3.11 2.04 -1.16 -2.56 117.51 120.39 1spj h ILE 242 Ca 0.19 -0.94 -0.07 0.00 1.00 0.00 0.00 64.86 65.05 1spj h ILE 242 Cb 0.11 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1spj h ILE 242 CO -0.02 0.32 0.08 0.00 0.00 0.00 0.00 178.15 178.53 1spj h ALA 243 N 0.92 1.09 0.00 1.87 0.00 -0.90 -2.88 119.26 119.37 1spj h ALA 243 Ca 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1spj h ALA 243 Cb 0.42 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1spj h ALA 243 CO 0.01 0.59 -0.01 0.39 0.00 0.00 0.00 179.25 180.24 1spj n GLU 244 N -4.24 0.12 -1.43 0.00 1.02 -0.23 -3.81 120.64 112.07 1spj n GLU 244 Ca 0.04 0.09 -0.04 0.00 -0.02 0.00 0.00 57.16 57.23 1spj n GLU 244 Cb 0.27 -1.63 0.10 0.00 -0.02 0.00 0.00 31.44 30.16 1spj n GLU 244 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1spj n ASN 245 N -1.83 2.57 0.00 1.62 3.02 -0.97 -5.09 115.26 114.58 1spj n ASN 245 Ca 0.06 -3.35 0.07 0.00 -0.03 0.00 0.00 54.58 51.33 1spj n ASN 245 Cb 0.38 -0.43 0.39 0.00 -0.61 0.00 0.00 39.78 39.51 1spj n ASN 245 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10