#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjt n ILE 2 N 0.00 0.34 -1.68 3.15 5.41 -1.26 -4.85 119.36 120.46 3kjt n ILE 2 Ca 0.00 -0.06 -0.45 0.00 1.00 0.00 0.00 62.75 63.24 3kjt n ILE 2 Cb 0.00 -1.98 -0.04 0.00 -0.71 0.00 0.00 39.64 36.91 3kjt n ILE 2 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3kjt n GLU 3 N 5.43 2.39 -3.01 0.38 2.13 -1.26 -4.67 120.64 122.04 3kjt n GLU 3 Ca 0.19 0.87 -0.38 0.00 0.66 0.00 0.00 57.16 58.50 3kjt n GLU 3 Cb 0.35 -2.70 -0.06 0.00 0.27 0.00 0.00 31.44 29.30 3kjt n GLU 3 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3kjt s GLU 4 N 2.11 4.44 0.00 5.31 2.12 -1.26 -4.20 118.70 127.22 3kjt s GLU 4 Ca 0.82 1.06 0.00 0.00 0.36 0.00 0.00 54.97 57.21 3kjt s GLU 4 Cb -0.61 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 30.71 3kjt s GLU 4 CO 0.40 0.47 0.00 0.41 -0.54 0.00 0.00 175.26 176.01 3kjt n GLY 5 N 1.15 0.92 3.73 -1.50 0.00 -1.26 -5.06 105.19 103.16 3kjt n GLY 5 Ca -0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 3kjt n GLY 5 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kjt s LYS 6 N -0.77 1.81 -0.08 1.61 -2.85 -1.26 -4.45 119.74 113.75 3kjt s LYS 6 Ca 0.00 -1.23 0.02 0.00 -1.00 0.00 0.00 55.97 53.75 3kjt s LYS 6 Cb 0.00 0.55 0.02 0.00 -2.06 0.00 0.00 37.83 36.34 3kjt s LYS 6 CO 0.00 -0.80 -0.12 -0.51 0.10 0.00 0.00 175.35 174.02 3kjt s LEU 7 N -3.01 1.56 -0.16 2.77 1.43 -0.53 -4.91 118.68 115.83 3kjt s LEU 7 Ca 0.17 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.93 3kjt s LEU 7 Cb -0.04 -0.87 -0.02 0.00 0.03 0.00 0.00 46.19 45.30 3kjt s LEU 7 CO 0.10 -0.00 -0.07 -0.69 0.23 0.00 0.00 176.35 175.91 3kjt s VAL 8 N 0.93 3.46 -0.06 -1.59 1.01 -1.26 -0.56 120.40 122.33 3kjt s VAL 8 Ca -0.09 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.44 3kjt s VAL 8 Cb -0.15 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 3kjt s VAL 8 CO 0.00 0.49 -0.24 -0.63 0.00 0.00 0.00 175.10 174.72 3kjt s ILE 9 N 0.61 1.99 -0.11 2.22 1.01 0.51 -0.52 121.20 126.92 3kjt s ILE 9 Ca -0.04 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.59 3kjt s ILE 9 Cb -0.15 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 3kjt s ILE 9 CO 0.03 0.55 -0.15 0.26 0.00 0.00 0.00 174.94 175.63 3kjt s TRP 10 N -0.06 2.76 0.02 3.97 0.52 -0.48 -0.39 118.94 125.29 3kjt s TRP 10 Ca -0.06 -0.61 -0.11 0.00 0.02 0.00 0.00 56.10 55.34 3kjt s TRP 10 Cb -0.14 -1.79 0.01 0.00 -1.15 0.00 0.00 33.47 30.40 3kjt s TRP 10 CO 0.04 -0.17 0.23 -1.50 0.02 0.00 0.00 176.95 175.57 3kjt s ILE 11 N 0.17 0.09 0.37 2.03 2.07 -0.73 -1.01 121.20 124.19 3kjt s ILE 11 Ca -0.08 -0.71 -0.27 0.00 -1.41 0.00 0.00 60.65 58.18 3kjt s ILE 11 Cb -0.15 -0.74 -0.09 0.00 0.13 0.00 0.00 42.46 41.61 3kjt s ILE 11 CO 0.05 -0.39 1.24 0.21 -1.91 0.00 0.00 174.94 174.14 3kjt s ASN 12 N -1.74 6.60 0.20 4.50 3.84 -1.26 -4.09 114.94 122.98 3kjt s ASN 12 Ca -0.09 2.51 0.13 0.00 0.21 0.00 0.00 52.86 55.62 3kjt s ASN 12 Cb -0.04 -2.63 0.72 0.00 -0.55 0.00 0.00 41.25 38.76 3kjt s ASN 12 CO -0.00 -0.64 1.41 0.61 -2.79 0.00 0.00 177.10 175.69 3kjt n GLY 13 N 0.74 -0.74 0.26 1.21 0.00 -1.26 -1.93 105.19 103.46 3kjt n GLY 13 Ca 0.02 0.12 0.15 0.00 0.00 0.00 0.00 46.02 46.31 3kjt n GLY 13 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kjt h LEU 14 N 0.00 0.00-10.49 0.99 3.38 -1.99 -3.46 115.31 103.74 3kjt h LEU 14 Ca 0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 3kjt h LEU 14 Cb 0.01 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.80 3kjt h LEU 14 CO 0.00 0.06 -0.10 -0.36 0.09 0.00 0.00 178.44 178.12 3kjt s PHE 15 N -3.60 2.76 -1.06 1.13 0.08 -0.81 -4.99 117.98 111.49 3kjt s PHE 15 Ca 0.02 -0.16 -0.17 0.00 0.12 0.00 0.00 56.93 56.74 3kjt s PHE 15 Cb 0.09 -2.63 -0.08 0.00 -0.57 0.00 0.00 43.02 39.83 3kjt s PHE 15 CO 0.58 -0.77 2.10 0.41 -0.10 0.00 0.00 175.22 177.44 3kjt n GLY 16 N -2.20 3.34 0.19 4.36 0.00 -1.26 -4.69 105.19 104.92 3kjt n GLY 16 Ca 0.08 -1.35 0.03 0.00 0.00 0.00 0.00 46.02 44.78 3kjt n GLY 16 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3kjt h TYR 17 N 6.95 0.00 -0.19 1.61 -0.00 -1.89 -1.39 116.97 122.07 3kjt h TYR 17 Ca 0.50 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 59.12 3kjt h TYR 17 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.31 3kjt h TYR 17 CO 1.42 0.35 -0.36 -0.91 -0.00 0.00 0.00 178.16 178.65 3kjt h ASN 18 N 0.00 0.42 0.13 0.10 4.21 -1.97 -0.85 115.58 117.62 3kjt h ASN 18 Ca -0.00 -0.17 -0.18 0.00 1.21 0.00 0.00 56.30 57.15 3kjt h ASN 18 Cb 0.62 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.70 3kjt h ASN 18 CO 0.05 0.76 -0.69 1.23 -1.29 0.00 0.00 177.43 177.48 3kjt h GLY 19 N 1.11 0.56 1.65 2.83 0.00 -1.66 -2.93 103.07 104.63 3kjt h GLY 19 Ca 0.04 -0.75 -0.09 0.00 0.00 0.00 0.00 47.33 46.53 3kjt h GLY 19 CO 0.06 0.67 -0.28 -2.00 0.00 0.00 0.00 176.54 174.99 3kjt h LEU 20 N 0.36 0.41 -1.63 3.11 5.85 -1.02 -2.28 115.31 120.10 3kjt h LEU 20 Ca -0.02 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 3kjt h LEU 20 Cb 1.26 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3kjt h LEU 20 CO 0.12 0.68 -0.01 0.00 -0.34 0.00 0.00 178.44 178.90 3kjt h ALA 21 N 1.35 1.70 -0.35 1.25 0.00 -0.98 -1.24 119.26 120.99 3kjt h ALA 21 Ca 0.05 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3kjt h ALA 21 Cb 0.68 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3kjt h ALA 21 CO 0.05 0.23 -0.25 0.93 0.00 0.00 0.00 179.25 180.21 3kjt h GLU 22 N 0.21 0.71 -0.24 0.00 5.08 -1.24 -0.62 114.58 118.49 3kjt h GLU 22 Ca 0.05 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 58.01 3kjt h GLU 22 Cb 0.17 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3kjt h GLU 22 CO 0.00 0.89 -0.31 0.28 -1.00 0.00 0.00 179.01 178.87 3kjt h VAL 23 N 0.62 1.28 -0.59 3.13 2.07 -1.13 -2.34 116.25 119.28 3kjt h VAL 23 Ca 0.08 -1.38 -0.06 0.00 0.82 0.00 0.00 66.70 66.17 3kjt h VAL 23 Cb 0.74 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 3kjt h VAL 23 CO 0.06 0.43 0.12 1.23 0.02 0.00 0.00 177.57 179.43 3kjt h GLY 24 N 1.05 1.01 1.35 2.17 0.00 -0.63 -1.49 103.07 106.52 3kjt h GLY 24 Ca 0.05 -0.62 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 3kjt h GLY 24 CO 0.06 0.58 -0.02 1.70 0.00 0.00 0.00 176.54 178.85 3kjt h LYS 25 N 0.89 0.79 -0.54 4.80 3.64 -0.70 -1.66 116.57 123.79 3kjt h LYS 25 Ca 0.19 -0.22 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 3kjt h LYS 25 Cb 0.36 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 3kjt h LYS 25 CO 0.00 0.81 0.03 -0.22 -2.27 0.00 0.00 179.45 177.80 3kjt h LYS 26 N 0.73 0.93 -0.50 1.90 1.63 -0.99 -1.56 116.57 118.70 3kjt h LYS 26 Ca 0.14 -0.28 0.01 0.00 -0.85 0.00 0.00 60.65 59.67 3kjt h LYS 26 Cb 0.48 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.99 3kjt h LYS 26 CO 0.02 0.93 0.33 0.35 -3.45 0.00 0.00 179.45 177.63 3kjt h PHE 27 N 0.80 0.63 -0.43 1.91 3.57 -0.93 -1.84 116.94 120.65 3kjt h PHE 27 Ca 0.16 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 3kjt h PHE 27 Cb 0.49 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3kjt h PHE 27 CO 0.04 0.39 -0.05 1.49 -2.23 0.00 0.00 178.31 177.95 3kjt h GLU 28 N 0.67 0.72 -0.11 1.11 4.81 -1.11 0.58 114.58 121.24 3kjt h GLU 28 Ca 0.19 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 3kjt h GLU 28 Cb -0.07 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3kjt h GLU 28 CO -0.05 0.76 -0.26 0.87 -0.73 0.00 0.00 179.01 179.60 3kjt h LYS 29 N 0.67 0.20 0.11 1.92 1.57 -0.80 0.28 116.57 120.52 3kjt h LYS 29 Ca 0.13 -0.07 -0.32 0.00 -1.87 0.00 0.00 60.65 58.52 3kjt h LYS 29 Cb 0.48 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3kjt h LYS 29 CO 0.02 0.46 -1.66 -0.44 -0.57 0.00 0.00 179.45 177.26 3kjt h ASP 30 N 0.18 0.36 0.00 0.86 3.45 -0.92 -3.41 116.42 116.95 3kjt h ASP 30 Ca 0.03 -0.58 -0.01 0.00 0.43 0.00 0.00 57.03 56.89 3kjt h ASP 30 Cb 0.57 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 39.22 3kjt h ASP 30 CO 0.04 1.50 -1.45 0.35 -1.57 0.00 0.00 179.24 178.11 3kjt n THR 31 N -3.42 0.04 -0.71 0.35 -2.24 0.16 -5.00 114.28 103.46 3kjt n THR 31 Ca -0.20 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3kjt n THR 31 Cb 1.05 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 3kjt n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kjt n GLY 32 N 1.99 0.74 3.66 3.38 0.00 0.98 -5.03 105.19 110.91 3kjt n GLY 32 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3kjt n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kjt s ILE 33 N -2.68 5.29 0.23 -0.61 -1.09 -1.26 -5.00 121.20 116.09 3kjt s ILE 33 Ca 0.00 0.37 -0.30 0.00 -2.23 0.00 0.00 60.65 58.49 3kjt s ILE 33 Cb 0.00 -3.59 -0.09 0.00 -1.58 0.00 0.00 42.46 37.21 3kjt s ILE 33 CO 0.00 0.30 1.08 -0.75 -1.23 0.00 0.00 174.94 174.34 3kjt s LYS 34 N 1.25 4.64 -0.13 2.79 2.20 -1.26 -3.48 119.74 125.75 3kjt s LYS 34 Ca 0.12 1.73 0.02 0.00 -0.36 0.00 0.00 55.97 57.47 3kjt s LYS 34 Cb -0.14 -3.24 0.01 0.00 -1.51 0.00 0.00 37.83 32.95 3kjt s LYS 34 CO 0.06 0.18 -0.19 0.08 -0.36 0.00 0.00 175.35 175.12 3kjt s VAL 35 N -0.72 1.85 -0.15 4.02 1.01 -1.26 -1.46 120.40 123.70 3kjt s VAL 35 Ca 0.46 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.59 3kjt s VAL 35 Cb -0.30 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 3kjt s VAL 35 CO 0.37 0.51 -0.16 -0.89 0.00 0.00 0.00 175.10 174.93 3kjt s THR 36 N 0.90 2.65 -0.19 3.92 2.01 0.28 -4.83 115.64 120.38 3kjt s THR 36 Ca -0.06 -0.78 -0.06 0.00 0.31 0.00 0.00 61.69 61.10 3kjt s THR 36 Cb -0.15 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.21 3kjt s THR 36 CO -0.02 0.52 0.03 -0.69 -0.69 0.00 0.00 174.62 173.76 3kjt s VAL 37 N 0.73 4.30 0.11 3.82 1.01 -1.26 -0.36 120.40 128.75 3kjt s VAL 37 Ca -0.07 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 61.78 3kjt s VAL 37 Cb -0.16 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3kjt s VAL 37 CO 0.01 0.44 -0.16 -1.61 0.00 0.00 0.00 175.10 173.78 3kjt s GLU 38 N 0.74 1.02 -0.50 2.72 2.02 0.48 -4.97 118.70 120.21 3kjt s GLU 38 Ca 0.01 -1.16 0.07 0.00 0.02 0.00 0.00 54.97 53.92 3kjt s GLU 38 Cb -0.14 -1.05 0.25 0.00 0.10 0.00 0.00 34.13 33.29 3kjt s GLU 38 CO 0.02 0.22 0.62 -2.39 0.02 0.00 0.00 175.26 173.75 3kjt n HIS 39 N 0.85 1.43 -1.75 1.61 1.44 -1.26 -1.78 115.22 115.76 3kjt n HIS 39 Ca -0.18 -3.83 -0.37 0.00 -2.01 0.00 0.00 57.72 51.33 3kjt n HIS 39 Cb 0.55 -0.44 0.06 0.00 0.12 0.00 0.00 29.99 30.29 3kjt n HIS 39 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 3kjt s PRO 40 N -1.74 2.61 0.43 -1.40 0.04 -1.26 -4.66 135.00 129.02 3kjt s PRO 40 Ca 0.37 2.08 -0.23 0.00 0.04 0.00 0.00 61.00 63.26 3kjt s PRO 40 Cb 0.16 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.73 3kjt s PRO 40 CO -0.07 -1.55 1.07 0.34 0.04 0.00 0.00 177.00 176.83 3kjt s ASP 41 N -1.36 6.53 -1.40 6.66 3.68 -1.26 -3.40 116.67 126.12 3kjt s ASP 41 Ca 0.82 2.07 -0.07 0.00 2.13 0.00 0.00 52.55 57.50 3kjt s ASP 41 Cb -0.38 -2.58 0.04 0.00 -1.45 0.00 0.00 42.92 38.55 3kjt s ASP 41 CO 0.40 -0.65 0.90 0.29 0.13 0.00 0.00 175.17 176.25 3kjt n LYS 42 N -0.37 -5.70 -0.21 4.34 5.02 -1.26 -4.83 118.16 115.14 3kjt n LYS 42 Ca 0.06 0.66 -0.01 0.00 -2.02 0.00 0.00 58.31 57.00 3kjt n LYS 42 Cb 0.50 -5.45 0.10 0.00 -0.02 0.00 0.00 35.03 30.16 3kjt n LYS 42 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3kjt h LEU 43 N -2.08 0.39 -2.62 -0.35 5.85 -1.95 -1.57 115.31 112.99 3kjt h LEU 43 Ca -0.59 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.19 3kjt h LEU 43 Cb 1.37 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 3kjt h LEU 43 CO 0.60 0.24 0.09 1.05 -0.34 0.00 0.00 178.44 180.08 3kjt h GLU 44 N 0.54 0.00 0.00 1.25 9.09 -1.91 -1.37 114.58 122.18 3kjt h GLU 44 Ca 0.30 0.00 -0.37 0.00 0.05 0.00 0.00 59.36 59.35 3kjt h GLU 44 Cb 0.29 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.32 3kjt h GLU 44 CO -0.24 0.00 -2.34 0.39 0.05 0.00 0.00 179.01 176.87 3kjt n GLU 45 N -3.31 0.68 -0.06 1.06 4.71 -0.80 -4.49 120.64 118.44 3kjt n GLU 45 Ca -0.02 0.05 -0.15 0.00 -0.01 0.00 0.00 57.16 57.03 3kjt n GLU 45 Cb 0.16 -1.55 -0.06 0.00 -1.01 0.00 0.00 31.44 28.98 3kjt n GLU 45 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 3kjt h LYS 46 N 0.00 0.63 -0.12 3.49 1.57 -0.67 -3.28 116.57 118.19 3kjt h LYS 46 Ca -0.53 -0.42 0.03 0.00 -1.87 0.00 0.00 60.65 57.86 3kjt h LYS 46 Cb 2.17 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 34.50 3kjt h LYS 46 CO 0.01 1.04 -0.08 0.35 -0.57 0.00 0.00 179.45 180.20 3kjt h PHE 47 N 0.31 -0.20 -0.64 -1.35 3.57 -1.51 -1.60 116.94 115.51 3kjt h PHE 47 Ca -0.00 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.59 3kjt h PHE 47 Cb 1.04 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 3kjt h PHE 47 CO 0.09 -0.13 0.43 -1.35 -2.23 0.00 0.00 178.31 175.12 3kjt h PRO 48 N -0.09 0.57 -0.06 6.41 0.11 -1.79 0.76 132.00 137.90 3kjt h PRO 48 Ca 0.08 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.12 3kjt h PRO 48 Cb 0.20 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 3kjt h PRO 48 CO -0.18 0.37 -0.10 1.96 -0.21 0.00 0.00 178.00 179.85 3kjt h GLN 49 N 0.58 0.18 -0.17 1.05 4.20 -1.49 -2.59 115.11 116.87 3kjt h GLN 49 Ca 0.29 -0.11 -0.22 0.00 0.06 0.00 0.00 58.65 58.67 3kjt h GLN 49 Cb 0.36 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.16 3kjt h GLN 49 CO -0.09 0.67 -0.74 -0.39 -0.67 0.00 0.00 178.83 177.60 3kjt h VAL 50 N -0.29 1.28 -0.01 -0.54 -1.51 -1.06 -3.20 116.25 110.91 3kjt h VAL 50 Ca 0.01 -1.94 -0.06 0.00 -1.23 0.00 0.00 66.70 63.48 3kjt h VAL 50 Cb 0.65 1.95 -0.01 0.00 -2.13 0.00 0.00 31.29 31.75 3kjt h VAL 50 CO 0.02 0.62 -0.27 0.00 -1.23 0.00 0.00 177.57 176.71 3kjt h ALA 51 N 0.56 1.53 0.00 5.19 0.00 -0.84 -1.68 119.26 124.02 3kjt h ALA 51 Ca -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3kjt h ALA 51 Cb 1.37 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 3kjt h ALA 51 CO 0.16 0.35 -0.04 0.00 0.00 0.00 0.00 179.25 179.72 3kjt h ALA 52 N 1.71 1.38 -0.38 0.00 0.00 -1.45 -0.72 119.26 119.79 3kjt h ALA 52 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kjt h ALA 52 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kjt h ALA 52 CO 0.04 0.05 0.00 0.25 0.00 0.00 0.00 179.25 179.58 3kjt n THR 53 N -3.68 0.49 -0.82 0.00 -2.24 -0.83 -4.94 114.28 102.27 3kjt n THR 53 Ca -0.03 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 3kjt n THR 53 Cb 0.13 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 3kjt n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kjt n GLY 54 N 1.51 0.50 0.75 3.38 0.00 -0.28 -5.02 105.19 106.03 3kjt n GLY 54 Ca 0.19 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 45.36 3kjt n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kjt n ASP 55 N 1.43 2.01 0.00 1.61 2.03 -0.70 -4.39 116.55 118.55 3kjt n ASP 55 Ca 0.00 -1.43 0.00 0.00 0.52 0.00 0.00 54.79 53.88 3kjt n ASP 55 Cb 0.00 0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 3kjt n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kjt n GLY 56 N 3.74 -0.97 3.86 0.27 0.00 -1.26 -3.29 105.19 107.55 3kjt n GLY 56 Ca -0.03 -2.15 -0.31 0.00 0.00 0.00 0.00 46.02 43.54 3kjt n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kjt s PRO 57 N 0.00 3.09 0.11 1.61 0.04 -1.26 -4.89 135.00 133.70 3kjt s PRO 57 Ca 0.00 0.64 -0.06 0.00 0.04 0.00 0.00 61.00 61.62 3kjt s PRO 57 Cb 0.00 -2.03 -0.15 0.00 0.04 0.00 0.00 34.50 32.36 3kjt s PRO 57 CO 0.00 -0.91 1.25 -0.44 0.04 0.00 0.00 177.00 176.94 3kjt h ASP 58 N -0.57 0.57 -3.88 6.66 3.32 -1.19 -3.40 116.42 117.94 3kjt h ASP 58 Ca -0.45 -0.49 -0.53 0.00 0.02 0.00 0.00 57.03 55.58 3kjt h ASP 58 Cb 1.22 -0.18 -0.31 0.00 0.22 0.00 0.00 39.33 40.29 3kjt h ASP 58 CO 0.62 1.30 -0.83 -0.63 -1.72 0.00 0.00 179.24 177.99 3kjt s ILE 59 N -3.14 1.27 -0.10 0.35 1.01 -0.97 -0.84 121.20 118.78 3kjt s ILE 59 Ca -0.06 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 59.99 3kjt s ILE 59 Cb 0.08 -1.10 0.01 0.00 0.01 0.00 0.00 42.46 41.46 3kjt s ILE 59 CO 0.88 0.37 -0.18 -0.51 0.00 0.00 0.00 174.94 175.50 3kjt s ILE 60 N 0.08 1.68 -0.27 2.92 1.10 -0.23 -1.38 121.20 125.10 3kjt s ILE 60 Ca -0.04 -0.77 -0.09 0.00 -0.51 0.00 0.00 60.65 59.24 3kjt s ILE 60 Cb -0.11 -1.49 -0.04 0.00 0.15 0.00 0.00 42.46 40.97 3kjt s ILE 60 CO 0.02 0.48 0.14 -0.36 -2.11 0.00 0.00 174.94 173.10 3kjt s PHE 61 N 0.69 3.16 0.06 3.50 0.40 -0.18 -0.64 117.98 124.98 3kjt s PHE 61 Ca -0.12 -0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.10 3kjt s PHE 61 Cb -0.16 -2.32 -0.03 0.00 0.51 0.00 0.00 43.02 41.02 3kjt s PHE 61 CO 0.03 -0.25 -0.06 1.52 0.70 0.00 0.00 175.22 177.15 3kjt s TYR 62 N 1.70 0.68 0.00 0.36 1.13 -0.29 -4.50 117.35 116.44 3kjt s TYR 62 Ca 0.07 -0.68 0.00 0.00 -1.41 0.00 0.00 57.07 55.05 3kjt s TYR 62 Cb -0.16 -0.41 0.00 0.00 -1.10 0.00 0.00 41.96 40.29 3kjt s TYR 62 CO 0.08 -0.14 0.30 0.00 -2.51 0.00 0.00 175.55 173.28 3kjt n ALA 63 N 0.90 0.76 -0.09 9.51 0.00 -1.26 -1.07 120.51 129.26 3kjt n ALA 63 Ca -0.19 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 52.95 3kjt n ALA 63 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3kjt n ALA 63 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kjt n HIS 64 N -0.04 0.00 -3.28 0.00 8.25 -1.26 -4.80 115.22 114.08 3kjt n HIS 64 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.01 3kjt n HIS 64 Cb 0.31 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.41 3kjt n HIS 64 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3kjt s ASP 65 N -0.49 7.13 -0.54 0.41 2.15 -1.26 -4.88 116.67 119.18 3kjt s ASP 65 Ca 0.00 -3.25 0.06 0.00 0.43 0.00 0.00 52.55 49.80 3kjt s ASP 65 Cb 0.00 -2.24 0.34 0.00 -0.30 0.00 0.00 42.92 40.72 3kjt s ASP 65 CO 0.00 -0.43 0.90 -2.11 -0.17 0.00 0.00 175.17 173.35 3kjt n ARG 66 N 3.46 2.76 0.00 4.34 1.85 -1.26 -4.67 116.66 123.14 3kjt n ARG 66 Ca 0.22 -4.56 0.00 0.00 -1.00 0.00 0.00 57.85 52.51 3kjt n ARG 66 Cb 0.42 -2.13 0.00 0.00 -1.05 0.00 0.00 32.46 29.70 3kjt n ARG 66 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3kjt n PHE 67 N -0.10 0.00 -0.72 2.89 7.35 -1.11 -2.93 117.46 122.83 3kjt n PHE 67 Ca 0.30 -0.04 0.00 0.00 -0.76 0.00 0.00 57.45 56.94 3kjt n PHE 67 Cb 0.44 -0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.27 3kjt n PHE 67 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kjt n GLY 68 N -0.04 1.50 0.02 7.13 0.00 1.28 -2.74 105.19 112.34 3kjt n GLY 68 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 3kjt n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kjt n GLY 69 N -2.00 -1.22 0.23 -0.02 0.00 -1.26 0.95 105.19 101.87 3kjt n GLY 69 Ca 0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 3kjt n GLY 69 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kjt h TYR 70 N 0.08 0.96 -0.23 1.61 0.05 -1.91 -2.62 116.97 114.91 3kjt h TYR 70 Ca 0.00 -0.33 -0.11 0.00 0.05 0.00 0.00 58.73 58.34 3kjt h TYR 70 Cb 0.27 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 3kjt h TYR 70 CO 0.00 1.12 -0.34 0.00 -1.05 0.00 0.00 178.16 177.89 3kjt h ALA 71 N 0.67 1.00 -0.99 3.88 0.00 -1.44 -0.36 119.26 122.01 3kjt h ALA 71 Ca 0.02 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.57 3kjt h ALA 71 Cb 1.03 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 3kjt h ALA 71 CO 0.10 0.60 0.65 0.37 0.00 0.00 0.00 179.25 180.97 3kjt h GLN 72 N 0.41 1.25 -0.10 0.00 4.15 4.67 -0.43 115.11 125.06 3kjt h GLN 72 Ca 0.05 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3kjt h GLN 72 Cb 0.78 -0.28 0.00 0.00 0.21 0.00 0.00 27.48 28.19 3kjt h GLN 72 CO 0.06 0.83 0.00 0.43 -1.93 0.00 0.00 178.83 178.22 3kjt n SER 73 N -4.42 1.21 -2.27 -0.69 7.64 -1.01 -4.92 113.62 109.16 3kjt n SER 73 Ca 0.13 -1.59 -0.17 0.00 1.01 0.00 0.00 58.87 58.25 3kjt n SER 73 Cb 0.07 -0.06 0.02 0.00 -1.01 0.00 0.00 64.21 63.23 3kjt n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kjt n GLY 74 N 1.06 -0.23 0.03 0.23 0.00 -0.17 -4.90 105.19 101.21 3kjt n GLY 74 Ca 0.16 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.20 3kjt n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kjt n LEU 75 N -3.01 0.45 -4.43 0.99 4.77 -0.18 -4.73 117.00 110.86 3kjt n LEU 75 Ca -0.10 0.29 -0.32 0.00 -0.03 0.00 0.00 56.01 55.85 3kjt n LEU 75 Cb 0.60 -0.32 -0.14 0.00 -2.33 0.00 0.00 43.42 41.23 3kjt n LEU 75 CO 0.34 -0.00 -0.48 -0.76 -1.33 0.00 0.00 177.39 175.16 3kjt s LEU 76 N -3.53 2.57 0.37 2.23 1.43 -1.26 -1.09 118.68 119.40 3kjt s LEU 76 Ca 0.11 -0.27 -0.24 0.00 -1.03 0.00 0.00 54.13 52.69 3kjt s LEU 76 Cb 0.16 -1.51 -0.10 0.00 0.03 0.00 0.00 46.19 44.78 3kjt s LEU 76 CO 0.64 0.32 0.99 0.00 0.23 0.00 0.00 176.35 178.54 3kjt s ALA 77 N -0.60 3.13 0.10 4.21 0.00 0.19 -4.66 121.76 124.14 3kjt s ALA 77 Ca 0.09 0.59 -0.31 0.00 0.00 0.00 0.00 51.96 52.33 3kjt s ALA 77 Cb -0.11 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.72 3kjt s ALA 77 CO 0.01 -0.01 1.27 -2.00 0.00 0.00 0.00 175.76 175.03 3kjt s GLU 78 N -2.40 4.40 0.47 0.00 2.12 -1.26 -4.65 118.70 117.38 3kjt s GLU 78 Ca 0.55 1.90 -0.10 0.00 0.36 0.00 0.00 54.97 57.68 3kjt s GLU 78 Cb -0.19 -3.29 -0.06 0.00 0.26 0.00 0.00 34.13 30.85 3kjt s GLU 78 CO 0.24 -0.30 0.85 0.96 -0.54 0.00 0.00 175.26 176.48 3kjt s ILE 79 N 0.88 4.76 -0.39 -3.70 -4.36 -0.61 -5.01 121.20 112.77 3kjt s ILE 79 Ca 0.60 0.67 0.08 0.00 -0.26 0.00 0.00 60.65 61.74 3kjt s ILE 79 Cb -0.33 -3.78 0.44 0.00 1.25 0.00 0.00 42.46 40.04 3kjt s ILE 79 CO 0.31 -0.72 1.09 0.35 0.24 0.00 0.00 174.94 176.21 3kjt n THR 80 N -1.79 2.09 -2.10 8.37 -2.24 -1.26 -4.81 114.28 112.53 3kjt n THR 80 Ca 0.03 -4.41 -0.41 0.00 -2.27 0.00 0.00 64.05 56.99 3kjt n THR 80 Cb 0.54 -0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 67.97 3kjt n THR 80 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3kjt s PRO 81 N -3.48 4.33 0.93 -0.78 0.04 -1.26 -5.00 135.00 129.79 3kjt s PRO 81 Ca 0.44 2.22 -0.13 0.00 0.04 0.00 0.00 61.00 63.57 3kjt s PRO 81 Cb 0.41 -3.09 0.15 0.00 0.04 0.00 0.00 34.50 32.01 3kjt s PRO 81 CO -0.11 -0.25 1.16 0.16 0.04 0.00 0.00 177.00 177.99 3kjt s ASP 82 N -0.19 3.35 0.33 6.66 1.47 -1.26 -4.79 116.67 122.24 3kjt s ASP 82 Ca 0.52 0.85 0.02 0.00 1.18 0.00 0.00 52.55 55.12 3kjt s ASP 82 Cb -0.40 -1.34 0.58 0.00 -0.34 0.00 0.00 42.92 41.42 3kjt s ASP 82 CO 0.49 -2.64 1.94 0.50 0.68 0.00 0.00 175.17 176.15 3kjt h LYS 83 N -1.56 0.77 -0.96 2.11 1.63 -1.99 -1.50 116.57 115.07 3kjt h LYS 83 Ca -0.49 -0.09 0.01 0.00 -0.85 0.00 0.00 60.65 59.23 3kjt h LYS 83 Cb 1.32 -0.15 -0.05 0.00 -0.60 0.00 0.00 32.23 32.75 3kjt h LYS 83 CO 0.58 0.59 0.64 0.00 -3.45 0.00 0.00 179.45 177.81 3kjt h ALA 84 N 1.53 1.31 -0.09 5.00 0.00 -2.00 -1.14 119.26 123.87 3kjt h ALA 84 Ca 0.19 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.84 3kjt h ALA 84 Cb 0.07 -0.39 0.01 0.00 0.00 0.00 0.00 17.79 17.48 3kjt h ALA 84 CO -0.03 0.64 -0.72 0.35 0.00 0.00 0.00 179.25 179.49 3kjt h PHE 85 N 1.31 0.89 -0.71 0.00 3.57 -1.78 -3.18 116.94 117.04 3kjt h PHE 85 Ca 0.35 -0.42 0.08 0.00 3.53 0.00 0.00 57.97 61.51 3kjt h PHE 85 Cb -0.15 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.42 3kjt h PHE 85 CO -0.00 1.24 0.47 1.96 -2.23 0.00 0.00 178.31 179.75 3kjt h GLN 86 N 0.29 0.65 0.00 1.11 4.20 -0.87 -0.51 115.11 119.98 3kjt h GLN 86 Ca -0.06 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3kjt h GLN 86 Cb 1.37 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.00 3kjt h GLN 86 CO 0.15 0.43 0.00 -0.44 -0.67 0.00 0.00 178.83 178.30 3kjt h ASP 87 N 0.67 0.00 1.21 1.46 3.32 -1.20 -2.76 116.42 119.12 3kjt h ASP 87 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3kjt h ASP 87 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3kjt h ASP 87 CO -0.11 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.70 3kjt n LYS 88 N -2.90 0.17 -4.28 3.56 5.02 -0.20 -4.83 118.16 114.70 3kjt n LYS 88 Ca -0.01 0.19 -0.28 0.00 -2.02 0.00 0.00 58.31 56.19 3kjt n LYS 88 Cb 0.16 -1.72 -0.10 0.00 -0.02 0.00 0.00 35.03 33.36 3kjt n LYS 88 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kjt s LEU 89 N -4.06 2.94 0.27 -0.35 2.01 -1.04 -1.46 118.68 116.99 3kjt s LEU 89 Ca 0.11 -0.54 -0.30 0.00 0.01 0.00 0.00 54.13 53.40 3kjt s LEU 89 Cb 0.14 -1.67 -0.11 0.00 0.01 0.00 0.00 46.19 44.56 3kjt s LEU 89 CO 0.54 0.13 1.55 -0.31 1.01 0.00 0.00 176.35 179.27 3kjt s TYR 90 N -1.53 2.85 0.26 0.29 2.02 -0.79 -4.91 117.35 115.54 3kjt s TYR 90 Ca 0.23 0.84 -0.01 0.00 -0.37 0.00 0.00 57.07 57.75 3kjt s TYR 90 Cb -0.09 -3.99 0.56 0.00 -0.40 0.00 0.00 41.96 38.03 3kjt s TYR 90 CO 0.14 -3.33 1.71 -1.35 -1.57 0.00 0.00 175.55 171.15 3kjt h PRO 91 N 5.03 0.38 0.00 -1.71 0.11 -1.93 -1.51 132.00 132.36 3kjt h PRO 91 Ca -0.46 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3kjt h PRO 91 Cb 1.22 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3kjt h PRO 91 CO 0.80 0.25 -0.15 0.27 -0.21 0.00 0.00 178.00 178.96 3kjt h PHE 92 N 0.39 0.00 -0.08 0.65 -5.15 -2.00 -2.42 116.94 108.33 3kjt h PHE 92 Ca 0.47 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 58.13 3kjt h PHE 92 Cb 0.80 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.96 3kjt h PHE 92 CO -0.18 0.15 -0.46 1.79 -2.00 0.00 0.00 178.31 177.61 3kjt h THR 93 N 0.00 1.33 -0.20 0.88 1.35 -1.65 -2.55 112.91 112.08 3kjt h THR 93 Ca -0.00 -1.62 -0.11 0.00 -0.55 0.00 0.00 66.41 64.13 3kjt h THR 93 Cb 0.36 1.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 3kjt h THR 93 CO 0.02 0.48 -0.35 -0.50 -0.25 0.00 0.00 175.52 174.92 3kjt h TRP 94 N 0.15 0.48 0.00 4.73 -0.00 -1.48 -2.47 115.95 117.37 3kjt h TRP 94 Ca 0.01 -0.12 -0.05 0.00 -0.00 0.00 0.00 58.89 58.73 3kjt h TRP 94 Cb 0.87 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.16 29.91 3kjt h TRP 94 CO 0.01 0.72 -0.22 -0.44 -0.00 0.00 0.00 178.44 178.51 3kjt h ASP 95 N 0.36 0.00 1.13 -3.49 3.32 -1.38 -2.24 116.42 114.11 3kjt h ASP 95 Ca 0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3kjt h ASP 95 Cb 0.78 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 3kjt h ASP 95 CO 0.06 0.22 -0.02 0.00 -1.72 0.00 0.00 179.24 177.78 3kjt h ALA 96 N 1.78 1.00 -0.28 3.45 0.00 -1.22 -3.13 119.26 120.86 3kjt h ALA 96 Ca -0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3kjt h ALA 96 Cb 0.41 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 3kjt h ALA 96 CO 0.03 0.03 -0.06 1.33 0.00 0.00 0.00 179.25 180.58 3kjt n VAL 97 N -3.12 2.41 -4.48 0.00 0.24 -0.85 -4.96 118.33 107.57 3kjt n VAL 97 Ca 0.01 -2.45 -0.34 0.00 -2.04 0.00 0.00 64.34 59.53 3kjt n VAL 97 Cb 0.34 -0.29 -0.12 0.00 -1.47 0.00 0.00 33.84 32.30 3kjt n VAL 97 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3kjt s ARG 98 N -3.09 3.40 -0.11 7.34 3.52 -1.17 -1.01 118.95 127.83 3kjt s ARG 98 Ca 0.43 -0.53 0.01 0.00 -0.13 0.00 0.00 55.73 55.51 3kjt s ARG 98 Cb 0.37 -2.81 0.02 0.00 -1.56 0.00 0.00 34.95 30.97 3kjt s ARG 98 CO 0.03 0.37 -0.12 -0.47 -0.81 0.00 0.00 175.30 174.30 3kjt s TYR 99 N -0.00 1.75 -1.44 5.12 5.04 0.33 -4.71 117.35 123.43 3kjt s TYR 99 Ca 0.00 -0.86 -0.06 0.00 -2.44 0.00 0.00 57.07 53.71 3kjt s TYR 99 Cb -0.13 -1.33 0.03 0.00 0.35 0.00 0.00 41.96 40.88 3kjt s TYR 99 CO 0.03 -0.50 0.56 0.09 -1.34 0.00 0.00 175.55 174.39 3kjt n ASN 100 N 4.53 -5.16 0.00 4.32 3.02 -1.26 -1.67 115.26 119.04 3kjt n ASN 100 Ca -0.17 -0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.06 3kjt n ASN 100 Cb 0.51 -4.20 0.00 0.00 -0.61 0.00 0.00 39.78 35.48 3kjt n ASN 100 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kjt n GLY 101 N -1.38 1.25 3.46 7.41 0.00 -0.64 -4.98 105.19 110.30 3kjt n GLY 101 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 3kjt n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kjt s LYS 102 N -0.24 2.46 -0.08 1.61 1.02 -0.67 -5.02 119.74 118.82 3kjt s LYS 102 Ca 0.00 -0.72 -0.30 0.00 0.02 0.00 0.00 55.97 54.97 3kjt s LYS 102 Cb 0.00 -2.34 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 3kjt s LYS 102 CO 0.00 0.61 1.26 -0.51 -0.92 0.00 0.00 175.35 175.80 3kjt s LEU 103 N -0.70 4.25 -0.04 3.17 1.02 -1.26 -0.52 118.68 124.60 3kjt s LEU 103 Ca 0.11 1.83 0.06 0.00 0.02 0.00 0.00 54.13 56.15 3kjt s LEU 103 Cb -0.11 -3.55 0.10 0.00 0.02 0.00 0.00 46.19 42.65 3kjt s LEU 103 CO 0.00 -0.67 1.00 2.30 0.02 0.00 0.00 176.35 179.00 3kjt n ILE 104 N 4.90 1.14 -3.59 -0.59 -6.64 -0.18 -1.57 119.36 112.84 3kjt n ILE 104 Ca 0.12 -1.27 -0.05 0.00 -1.77 0.00 0.00 62.75 59.79 3kjt n ILE 104 Cb 0.45 0.30 -0.02 0.00 -1.44 0.00 0.00 39.64 38.94 3kjt n ILE 104 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3kjt s ALA 105 N -1.47 -1.96 -0.19 -1.28 0.00 -1.25 -4.51 121.76 111.10 3kjt s ALA 105 Ca 0.10 1.05 -0.08 0.00 0.00 0.00 0.00 51.96 53.03 3kjt s ALA 105 Cb 0.09 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 3kjt s ALA 105 CO 0.01 -0.77 0.09 0.71 0.00 0.00 0.00 175.76 175.81 3kjt s TYR 106 N -2.77 3.30 0.18 0.00 2.02 -0.05 -4.85 117.35 115.17 3kjt s TYR 106 Ca 0.09 0.14 -0.30 0.00 -0.37 0.00 0.00 57.07 56.64 3kjt s TYR 106 Cb -0.00 -2.12 -0.08 0.00 -0.40 0.00 0.00 41.96 39.36 3kjt s TYR 106 CO -0.05 0.17 1.09 -2.14 -1.57 0.00 0.00 175.55 173.05 3kjt s PRO 107 N 0.47 4.61 0.01 -1.71 0.02 -1.26 -0.54 135.00 136.59 3kjt s PRO 107 Ca 0.05 1.70 -0.01 0.00 0.02 0.00 0.00 61.00 62.76 3kjt s PRO 107 Cb -0.12 -3.28 -0.00 0.00 0.02 0.00 0.00 34.50 31.12 3kjt s PRO 107 CO 0.00 0.10 -0.02 -0.89 -0.33 0.00 0.00 177.00 175.86 3kjt n ILE 108 N 2.32 0.34 -4.20 2.83 -0.00 0.90 -4.71 119.36 116.83 3kjt n ILE 108 Ca 0.02 0.18 -0.27 0.00 -0.00 0.00 0.00 62.75 62.68 3kjt n ILE 108 Cb 0.46 -1.29 -0.08 0.00 -0.00 0.00 0.00 39.64 38.74 3kjt n ILE 108 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3kjt s ALA 109 N -2.23 3.20 -0.09 -1.39 0.00 -1.18 -1.63 121.76 118.44 3kjt s ALA 109 Ca -0.02 -1.35 0.04 0.00 0.00 0.00 0.00 51.96 50.63 3kjt s ALA 109 Cb 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 23.12 22.12 3kjt s ALA 109 CO 0.03 0.50 -0.23 0.08 0.00 0.00 0.00 175.76 176.13 3kjt s VAL 110 N -1.70 2.15 -0.05 0.00 1.01 0.04 -1.12 120.40 120.74 3kjt s VAL 110 Ca 0.27 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 61.32 3kjt s VAL 110 Cb -0.09 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 3kjt s VAL 110 CO 0.18 0.56 -0.25 -0.31 0.00 0.00 0.00 175.10 175.28 3kjt s TYR 111 N 0.19 2.41 -0.11 5.22 2.02 0.49 -3.98 117.35 123.59 3kjt s TYR 111 Ca -0.14 -0.65 -0.30 0.00 -0.37 0.00 0.00 57.07 55.61 3kjt s TYR 111 Cb -0.17 -1.57 0.09 0.00 -0.40 0.00 0.00 41.96 39.91 3kjt s TYR 111 CO 0.07 -0.17 0.78 0.00 -1.57 0.00 0.00 175.55 174.66 3kjt s ALA 112 N -0.28 -1.82 0.55 3.71 0.00 -1.26 -1.56 121.76 121.10 3kjt s ALA 112 Ca -0.00 1.49 -0.18 0.00 0.00 0.00 0.00 51.96 53.27 3kjt s ALA 112 Cb -0.13 -0.37 -0.06 0.00 0.00 0.00 0.00 23.12 22.57 3kjt s ALA 112 CO 0.03 -0.35 1.05 -0.51 0.00 0.00 0.00 175.76 175.98 3kjt s LEU 113 N -0.94 3.65 0.23 0.00 1.43 -1.26 -4.54 118.68 117.25 3kjt s LEU 113 Ca -0.07 1.87 0.01 0.00 -1.03 0.00 0.00 54.13 54.90 3kjt s LEU 113 Cb -0.01 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.63 3kjt s LEU 113 CO 0.06 -1.00 0.15 -0.94 0.23 0.00 0.00 176.35 174.85 3kjt s SER 114 N -2.45 0.50 -0.22 2.29 1.04 -0.73 -4.83 113.70 109.31 3kjt s SER 114 Ca 0.65 -1.46 -0.18 0.00 0.48 0.00 0.00 55.95 55.45 3kjt s SER 114 Cb -0.16 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 3kjt s SER 114 CO 0.30 -0.87 0.49 -0.22 0.98 0.00 0.00 173.24 173.92 3kjt s LEU 115 N -3.21 4.12 -0.17 2.42 1.98 -0.81 -2.60 118.68 120.40 3kjt s LEU 115 Ca 0.39 0.60 -0.05 0.00 -2.89 0.00 0.00 54.13 52.18 3kjt s LEU 115 Cb 0.06 -2.66 -0.03 0.00 0.66 0.00 0.00 46.19 44.22 3kjt s LEU 115 CO 0.15 -0.19 0.00 -0.63 -1.89 0.00 0.00 176.35 173.79 3kjt s ILE 116 N 1.75 4.16 0.08 6.68 1.01 -0.38 -0.50 121.20 134.01 3kjt s ILE 116 Ca 0.22 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.65 3kjt s ILE 116 Cb -0.15 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 3kjt s ILE 116 CO 0.09 0.47 -0.09 -0.72 0.00 0.00 0.00 174.94 174.68 3kjt s TYR 117 N 0.54 0.96 -0.37 3.97 1.13 -0.52 -0.97 117.35 122.08 3kjt s TYR 117 Ca -0.01 -0.64 -0.23 0.00 -1.41 0.00 0.00 57.07 54.78 3kjt s TYR 117 Cb -0.14 -0.54 0.01 0.00 -1.10 0.00 0.00 41.96 40.19 3kjt s TYR 117 CO 0.02 -0.04 0.75 1.21 -2.51 0.00 0.00 175.55 174.99 3kjt s ASN 118 N -2.28 6.51 0.56 -0.18 3.84 0.22 -0.99 114.94 122.62 3kjt s ASN 118 Ca 0.02 0.28 0.32 0.00 0.21 0.00 0.00 52.86 53.69 3kjt s ASN 118 Cb -0.04 -2.38 1.66 0.00 -0.55 0.00 0.00 41.25 39.94 3kjt s ASN 118 CO -0.00 -0.72 2.13 0.11 -2.79 0.00 0.00 177.10 175.83 3kjt h LYS 119 N 8.51 0.00 0.00 0.43 1.57 -0.97 0.37 116.57 126.48 3kjt h LYS 119 Ca -0.25 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.47 3kjt h LYS 119 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3kjt h LYS 119 CO 0.90 0.07 -0.50 -0.44 -0.57 0.00 0.00 179.45 178.91 3kjt h ASP 120 N 0.00 0.00 0.02 0.86 3.32 -1.93 -3.08 116.42 115.61 3kjt h ASP 120 Ca -0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 3kjt h ASP 120 Cb 0.27 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.75 3kjt h ASP 120 CO 0.01 0.25 -2.39 0.18 -1.72 0.00 0.00 179.24 175.57 3kjt n LEU 121 N -3.06 1.41 -3.44 1.55 4.77 -1.02 -4.79 117.00 112.42 3kjt n LEU 121 Ca 0.01 -0.04 -0.28 0.00 -0.03 0.00 0.00 56.01 55.68 3kjt n LEU 121 Cb 0.65 -0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 41.45 3kjt n LEU 121 CO 0.38 0.70 -0.30 -0.22 -1.33 0.00 0.00 177.39 176.62 3kjt s LEU 122 N -6.01 1.49 0.55 2.23 2.96 0.09 -4.97 118.68 115.01 3kjt s LEU 122 Ca -0.21 -2.88 0.24 0.00 -0.22 0.00 0.00 54.13 51.05 3kjt s LEU 122 Cb 0.07 -0.49 1.54 0.00 0.50 0.00 0.00 46.19 47.81 3kjt s LEU 122 CO 0.73 -0.20 2.18 1.55 -1.32 0.00 0.00 176.35 179.29 3kjt h PRO 123 N 5.98 0.00 -3.76 0.98 0.13 -1.73 -3.35 132.00 130.25 3kjt h PRO 123 Ca 0.21 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.72 3kjt h PRO 123 Cb 0.92 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.65 3kjt h PRO 123 CO 0.36 0.03 -0.73 1.21 -0.23 0.00 0.00 178.00 178.64 3kjt s ASN 124 N -6.53 4.20 0.59 1.44 3.84 -1.26 -5.00 114.94 112.22 3kjt s ASN 124 Ca -0.05 -2.15 -0.19 0.00 0.21 0.00 0.00 52.86 50.68 3kjt s ASN 124 Cb 0.16 -1.21 -0.03 0.00 -0.55 0.00 0.00 41.25 39.61 3kjt s ASN 124 CO 0.60 -0.35 1.23 -2.16 -2.79 0.00 0.00 177.10 173.63 3kjt s PRO 125 N 0.93 2.94 0.38 0.43 0.04 -1.26 -4.97 135.00 133.50 3kjt s PRO 125 Ca 0.13 1.89 -0.27 0.00 0.04 0.00 0.00 61.00 62.78 3kjt s PRO 125 Cb -0.20 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 3kjt s PRO 125 CO -0.12 -1.25 1.36 -1.25 0.04 0.00 0.00 177.00 175.79 3kjt s PRO 126 N -3.29 4.09 0.01 0.56 0.04 -1.26 -4.92 135.00 130.22 3kjt s PRO 126 Ca 0.78 2.30 0.23 0.00 0.04 0.00 0.00 61.00 64.35 3kjt s PRO 126 Cb -0.32 -2.89 0.12 0.00 0.04 0.00 0.00 34.50 31.45 3kjt s PRO 126 CO 0.35 -0.45 1.13 1.63 0.04 0.00 0.00 177.00 179.71 3kjt n LYS 127 N 0.38 0.04 -4.31 4.56 5.02 -1.26 -4.59 118.16 117.99 3kjt n LYS 127 Ca 0.02 -0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.10 3kjt n LYS 127 Cb 0.42 -1.51 -0.13 0.00 -0.02 0.00 0.00 35.03 33.79 3kjt n LYS 127 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3kjt s THR 128 N -3.03 1.24 0.25 -0.18 2.01 -1.26 -0.65 115.64 114.03 3kjt s THR 128 Ca 0.09 -1.19 0.04 0.00 0.31 0.00 0.00 61.69 60.94 3kjt s THR 128 Cb 0.16 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.51 3kjt s THR 128 CO 0.79 -0.06 1.59 -0.50 -0.69 0.00 0.00 174.62 175.75 3kjt h TRP 129 N 4.60 0.33 0.00 4.92 4.06 -1.16 -3.18 115.95 125.52 3kjt h TRP 129 Ca -0.40 -0.12 -0.00 0.00 2.06 0.00 0.00 58.89 60.43 3kjt h TRP 129 Cb 1.18 -0.06 -0.00 0.00 -1.00 0.00 0.00 29.16 29.28 3kjt h TRP 129 CO 0.57 0.75 -0.01 0.93 -3.56 0.00 0.00 178.44 177.12 3kjt h GLU 130 N 0.20 0.00 -0.01 0.49 3.07 -1.96 -2.03 114.58 114.34 3kjt h GLU 130 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kjt h GLU 130 Cb 1.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 3kjt h GLU 130 CO 0.09 0.01 -0.21 -0.85 -1.40 0.00 0.00 179.01 176.65 3kjt n GLU 131 N -3.66 0.82 -0.15 2.33 0.28 -1.20 -4.21 120.64 114.86 3kjt n GLU 131 Ca -0.03 -0.44 -0.05 0.00 -0.16 0.00 0.00 57.16 56.48 3kjt n GLU 131 Cb 0.10 -1.49 0.14 0.00 1.43 0.00 0.00 31.44 31.62 3kjt n GLU 131 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 3kjt h ILE 132 N 1.07 1.25 -0.46 3.84 2.04 -1.52 -2.61 117.51 121.12 3kjt h ILE 132 Ca 0.00 -0.98 0.02 0.00 1.00 0.00 0.00 64.86 64.90 3kjt h ILE 132 Cb 0.47 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3kjt h ILE 132 CO 0.00 0.35 0.29 -0.65 0.00 0.00 0.00 178.15 178.14 3kjt h PRO 133 N 0.83 0.56 -0.50 2.37 0.11 -1.78 0.35 132.00 133.94 3kjt h PRO 133 Ca 0.17 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.18 3kjt h PRO 133 Cb 0.42 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 3kjt h PRO 133 CO 0.01 0.37 0.04 0.00 -0.21 0.00 0.00 178.00 178.22 3kjt h ALA 134 N 1.19 1.14 -0.54 -0.75 0.00 -1.82 -2.15 119.26 116.33 3kjt h ALA 134 Ca 0.18 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3kjt h ALA 134 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3kjt h ALA 134 CO -0.07 0.56 -0.02 1.25 0.00 0.00 0.00 179.25 180.97 3kjt h LEU 135 N 0.76 0.93 -0.69 0.00 5.85 -1.05 -2.54 115.31 118.58 3kjt h LEU 135 Ca 0.16 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 3kjt h LEU 135 Cb 0.40 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3kjt h LEU 135 CO 0.01 0.99 0.16 -0.78 -0.34 0.00 0.00 178.44 178.49 3kjt h ASP 136 N 0.87 1.05 -0.86 1.25 3.58 -0.53 -1.42 116.42 120.36 3kjt h ASP 136 Ca 0.16 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.35 3kjt h ASP 136 Cb 0.54 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.27 3kjt h ASP 136 CO 0.03 1.02 0.46 0.11 -2.88 0.00 0.00 179.24 177.98 3kjt h LYS 137 N 1.04 1.21 -0.34 0.28 1.57 -1.16 0.15 116.57 119.31 3kjt h LYS 137 Ca 0.21 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 3kjt h LYS 137 Cb 0.38 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3kjt h LYS 137 CO 0.00 0.89 -0.09 1.49 -0.57 0.00 0.00 179.45 181.18 3kjt h GLU 138 N 1.21 0.67 -0.11 3.15 4.81 -1.18 -2.98 114.58 120.15 3kjt h GLU 138 Ca 0.30 -0.26 -0.13 0.00 -0.13 0.00 0.00 59.36 59.14 3kjt h GLU 138 Cb 0.05 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3kjt h GLU 138 CO -0.05 0.83 -0.51 -0.07 -0.73 0.00 0.00 179.01 178.49 3kjt h LEU 139 N 0.45 0.31 -1.93 1.64 3.38 -1.00 -2.82 115.31 115.34 3kjt h LEU 139 Ca 0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3kjt h LEU 139 Cb 0.59 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3kjt h LEU 139 CO 0.03 0.77 -0.08 0.11 0.09 0.00 0.00 178.44 179.37 3kjt h LYS 140 N 0.22 0.00 0.00 1.13 1.79 0.30 -0.07 116.57 119.94 3kjt h LYS 140 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3kjt h LYS 140 Cb 0.98 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 3kjt h LYS 140 CO 0.08 0.08 0.00 0.00 -1.08 0.00 0.00 179.45 178.53 3kjt n ALA 141 N -2.19 1.55 0.13 3.86 0.00 -1.06 -1.33 120.51 121.47 3kjt n ALA 141 Ca -0.01 0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.56 3kjt n ALA 141 Cb 0.24 -1.36 0.08 0.00 0.00 0.00 0.00 19.45 18.42 3kjt n ALA 141 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kjt n LYS 142 N -2.16 1.58 -0.83 0.00 5.02 -0.17 -4.97 118.16 116.62 3kjt n LYS 142 Ca 0.02 -1.51 0.00 0.00 -2.02 0.00 0.00 58.31 54.80 3kjt n LYS 142 Cb 0.19 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 3kjt n LYS 142 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kjt n GLY 143 N 0.45 0.57 3.73 0.72 0.00 -0.44 -5.05 105.19 105.16 3kjt n GLY 143 Ca 0.08 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 3kjt n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kjt s LYS 144 N -0.43 2.46 0.22 1.61 -0.14 -0.42 -4.95 119.74 118.10 3kjt s LYS 144 Ca 0.00 -1.40 0.10 0.00 -1.36 0.00 0.00 55.97 53.30 3kjt s LYS 144 Cb 0.00 -2.26 -0.04 0.00 -1.68 0.00 0.00 37.83 33.85 3kjt s LYS 144 CO 0.00 0.24 -0.10 -1.54 -0.76 0.00 0.00 175.35 173.19 3kjt s SER 145 N -3.80 4.16 -0.01 2.83 1.04 -0.83 -1.60 113.70 115.48 3kjt s SER 145 Ca 0.35 -0.70 -0.20 0.00 0.48 0.00 0.00 55.95 55.89 3kjt s SER 145 Cb -0.05 -0.65 -0.30 0.00 0.10 0.00 0.00 66.02 65.12 3kjt s SER 145 CO 0.22 0.06 0.97 0.00 0.98 0.00 0.00 173.24 175.48 3kjt h ALA 146 N 2.53 -0.06 -3.02 5.32 0.00 -1.85 -0.08 119.26 122.10 3kjt h ALA 146 Ca -0.45 -0.71 -0.18 0.00 0.00 0.00 0.00 54.91 53.58 3kjt h ALA 146 Cb 1.23 0.10 -0.28 0.00 0.00 0.00 0.00 17.79 18.84 3kjt h ALA 146 CO 0.56 0.46 -0.44 -1.17 0.00 0.00 0.00 179.25 178.65 3kjt s LEU 147 N -7.92 0.56 -0.04 0.00 2.96 -1.26 -1.07 118.68 111.91 3kjt s LEU 147 Ca -0.12 0.56 -0.01 0.00 -0.22 0.00 0.00 54.13 54.33 3kjt s LEU 147 Cb 0.02 0.84 0.03 0.00 0.50 0.00 0.00 46.19 47.58 3kjt s LEU 147 CO 0.86 -0.14 0.03 -0.04 -1.32 0.00 0.00 176.35 175.74 3kjt s MET 148 N 0.91 0.13 0.17 1.98 -1.94 -0.71 -4.83 119.30 115.01 3kjt s MET 148 Ca -0.06 0.24 -0.12 0.00 -1.71 0.00 0.00 55.69 54.03 3kjt s MET 148 Cb -0.07 -0.56 0.01 0.00 2.01 0.00 0.00 34.83 36.22 3kjt s MET 148 CO -0.06 -0.26 0.38 -0.59 -0.01 0.00 0.00 175.02 174.47 3kjt s PHE 149 N 1.75 0.17 -0.18 -0.03 -0.71 -1.26 -4.21 117.98 113.51 3kjt s PHE 149 Ca 0.00 -0.53 -0.29 0.00 -1.04 0.00 0.00 56.93 55.07 3kjt s PHE 149 Cb -0.12 0.13 -0.05 0.00 -1.21 0.00 0.00 43.02 41.76 3kjt s PHE 149 CO -0.03 -0.79 2.08 1.21 -1.34 0.00 0.00 175.22 176.35 3kjt s ASN 150 N -2.92 5.77 0.00 1.98 2.47 -1.26 -4.62 114.94 116.35 3kjt s ASN 150 Ca 0.13 1.97 0.24 0.00 0.42 0.00 0.00 52.86 55.61 3kjt s ASN 150 Cb 0.02 -2.52 0.14 0.00 -1.45 0.00 0.00 41.25 37.44 3kjt s ASN 150 CO -0.02 -1.70 1.21 0.18 -3.72 0.00 0.00 177.10 173.06 3kjt n LEU 151 N 10.47 2.76 0.13 3.21 4.77 -0.80 -4.40 117.00 133.14 3kjt n LEU 151 Ca 0.26 -0.94 0.04 0.00 -0.03 0.00 0.00 56.01 55.34 3kjt n LEU 151 Cb 0.44 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.56 3kjt n LEU 151 CO 0.67 0.47 0.35 1.56 -1.33 0.00 0.00 177.39 179.11 3kjt h GLN 152 N 4.14 0.00 -5.33 3.23 1.08 -1.87 -3.45 115.11 112.92 3kjt h GLN 152 Ca 0.00 0.00 -0.67 0.00 -1.45 0.00 0.00 58.65 56.53 3kjt h GLN 152 Cb 0.94 0.00 -0.29 0.00 -0.05 0.00 0.00 27.48 28.07 3kjt h GLN 152 CO 0.00 0.35 -0.81 -2.00 -0.95 0.00 0.00 178.83 175.41 3kjt s GLU 153 N -3.02 3.25 0.52 1.46 2.56 -1.26 -4.93 118.70 117.27 3kjt s GLU 153 Ca 0.03 -0.76 0.26 0.00 0.00 0.00 0.00 54.97 54.49 3kjt s GLU 153 Cb 0.07 -2.50 1.38 0.00 2.00 0.00 0.00 34.13 35.08 3kjt s GLU 153 CO 0.75 0.20 1.96 -1.35 -0.56 0.00 0.00 175.26 176.26 3kjt h PRO 154 N 6.70 0.04 -0.96 4.30 0.11 -1.90 -1.47 132.00 138.83 3kjt h PRO 154 Ca -0.23 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.98 3kjt h PRO 154 Cb 1.22 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 3kjt h PRO 154 CO 0.52 0.03 0.62 -0.92 -0.21 0.00 0.00 178.00 178.04 3kjt h TYR 155 N 0.04 1.08 0.00 0.65 3.20 -1.95 0.27 116.97 120.27 3kjt h TYR 155 Ca 0.30 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 62.06 3kjt h TYR 155 Cb 1.15 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 3kjt h TYR 155 CO -0.00 0.47 -0.82 0.74 -1.64 0.00 0.00 178.16 176.91 3kjt h PHE 156 N 0.98 0.00 0.00 -3.82 -1.00 -1.53 -3.35 116.94 108.23 3kjt h PHE 156 Ca 0.46 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.24 3kjt h PHE 156 Cb 0.42 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.98 3kjt h PHE 156 CO -0.00 0.64 -1.29 0.25 -1.61 0.00 0.00 178.31 176.30 3kjt n THR 157 N -3.19 0.33 -0.36 -1.55 -2.24 -0.99 -4.43 114.28 101.85 3kjt n THR 157 Ca -0.01 -0.46 0.08 0.00 -2.27 0.00 0.00 64.05 61.38 3kjt n THR 157 Cb 0.81 -0.11 0.24 0.00 -2.10 0.00 0.00 70.33 69.18 3kjt n THR 157 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3kjt h TRP 158 N 0.00 1.12 -0.95 4.78 2.91 -1.08 -2.63 115.95 120.09 3kjt h TRP 158 Ca 0.00 0.03 0.23 0.00 1.13 0.00 0.00 58.89 60.28 3kjt h TRP 158 Cb 0.93 -0.35 -0.12 0.00 -0.51 0.00 0.00 29.16 29.11 3kjt h TRP 158 CO 0.00 0.42 0.51 -1.35 -1.03 0.00 0.00 178.44 176.99 3kjt h PRO 159 N 0.95 0.51 0.05 2.65 0.11 -1.78 0.18 132.00 134.68 3kjt h PRO 159 Ca 0.50 -0.03 -0.26 0.00 0.11 0.00 0.00 66.00 66.32 3kjt h PRO 159 Cb 0.53 -0.11 0.02 0.00 0.11 0.00 0.00 31.00 31.55 3kjt h PRO 159 CO -0.28 0.34 -1.07 1.25 -0.21 0.00 0.00 178.00 178.03 3kjt h LEU 160 N 0.52 0.85 -1.12 2.35 5.85 -1.79 -1.93 115.31 120.03 3kjt h LEU 160 Ca 0.60 -0.78 -0.08 0.00 0.84 0.00 0.00 57.88 58.46 3kjt h LEU 160 Cb 1.11 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 3kjt h LEU 160 CO -0.48 1.53 -0.20 0.40 -0.34 0.00 0.00 178.44 179.34 3kjt h ILE 161 N 0.26 1.24 0.00 4.05 5.03 -1.12 -2.91 117.51 124.06 3kjt h ILE 161 Ca -0.15 -1.09 0.00 0.00 -0.12 0.00 0.00 64.86 63.50 3kjt h ILE 161 Cb 1.74 1.31 0.00 0.00 -3.03 0.00 0.00 36.82 36.84 3kjt h ILE 161 CO 0.21 0.34 -0.44 0.00 -0.68 0.00 0.00 178.15 177.58 3kjt h ALA 162 N 1.46 0.74 -0.43 1.87 0.00 -0.76 -3.17 119.26 118.97 3kjt h ALA 162 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3kjt h ALA 162 Cb 0.55 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 3kjt h ALA 162 CO 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 179.25 179.04 3kjt h ALA 163 N 2.27 0.02 -0.45 0.00 0.00 -1.24 -2.18 119.26 117.69 3kjt h ALA 163 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kjt h ALA 163 Cb 0.87 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3kjt h ALA 163 CO 0.00 -0.62 0.00 -3.47 0.00 0.00 0.00 179.25 175.16 3kjt n ASP 164 N -5.40 2.70 0.00 0.00 2.03 -1.26 -4.62 116.55 109.99 3kjt n ASP 164 Ca 0.02 -2.09 0.00 0.00 0.52 0.00 0.00 54.79 53.24 3kjt n ASP 164 Cb 0.32 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 3kjt n ASP 164 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kjt n GLY 165 N 1.10 0.48 3.78 0.27 0.00 -0.82 -4.15 105.19 105.84 3kjt n GLY 165 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3kjt n GLY 165 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kjt s GLY 166 N 0.00 2.20 0.01 -0.02 0.00 -1.19 -4.70 107.32 103.63 3kjt s GLY 166 Ca 0.00 0.54 -0.28 0.00 0.00 0.00 0.00 44.72 44.99 3kjt s GLY 166 CO 0.00 0.89 0.80 -2.52 0.00 0.00 0.00 173.10 172.26 3kjt s TYR 167 N -2.30 -0.45 0.00 1.90 -0.85 -0.47 -4.49 117.35 110.70 3kjt s TYR 167 Ca 0.67 0.44 0.00 0.00 -0.52 0.00 0.00 57.07 57.65 3kjt s TYR 167 Cb -0.20 0.51 0.00 0.00 0.38 0.00 0.00 41.96 42.65 3kjt s TYR 167 CO 0.39 -0.61 0.12 0.00 -1.52 0.00 0.00 175.55 173.93 3kjt n ALA 168 N 0.03 -0.05 -2.67 9.51 0.00 -1.26 -0.85 120.51 125.21 3kjt n ALA 168 Ca -0.13 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.12 3kjt n ALA 168 Cb 0.61 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.92 3kjt n ALA 168 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3kjt s PHE 169 N -0.89 0.92 0.33 0.00 0.40 -1.26 -2.89 117.98 114.59 3kjt s PHE 169 Ca 0.00 -0.21 -0.29 0.00 -0.60 0.00 0.00 56.93 55.83 3kjt s PHE 169 Cb 0.00 -0.58 -0.10 0.00 0.51 0.00 0.00 43.02 42.85 3kjt s PHE 169 CO 0.00 -0.01 1.35 0.15 0.70 0.00 0.00 175.22 177.41 3kjt s LYS 170 N -0.43 4.30 -0.30 0.44 -0.14 -0.72 -4.85 119.74 118.04 3kjt s LYS 170 Ca 0.03 2.29 -0.05 0.00 -1.36 0.00 0.00 55.97 56.88 3kjt s LYS 170 Cb -0.05 -3.06 0.03 0.00 -1.68 0.00 0.00 37.83 33.08 3kjt s LYS 170 CO -0.00 -0.27 0.05 -0.47 -0.76 0.00 0.00 175.35 173.90 3kjt s TYR 171 N -1.03 3.19 -0.03 3.18 5.04 -1.26 -1.28 117.35 125.17 3kjt s TYR 171 Ca 0.51 -1.41 0.01 0.00 -2.44 0.00 0.00 57.07 53.74 3kjt s TYR 171 Cb -0.41 -2.20 0.01 0.00 0.35 0.00 0.00 41.96 39.71 3kjt s TYR 171 CO 0.54 -0.70 -0.04 -2.00 -1.34 0.00 0.00 175.55 172.01 3kjt s GLU 172 N 1.39 0.62 -1.26 4.97 2.56 0.82 -4.85 118.70 122.95 3kjt s GLU 172 Ca -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.97 54.84 3kjt s GLU 172 Cb -0.18 -0.65 0.00 0.00 2.00 0.00 0.00 34.13 35.30 3kjt s GLU 172 CO 0.01 -0.02 0.91 0.09 -0.56 0.00 0.00 175.26 175.69 3kjt n ASN 173 N 3.69 -2.16 -2.06 -1.70 5.03 -1.26 -1.56 115.26 115.24 3kjt n ASN 173 Ca -0.22 -0.69 -0.13 0.00 0.87 0.00 0.00 54.58 54.41 3kjt n ASN 173 Cb 0.53 -4.73 -0.02 0.00 -1.02 0.00 0.00 39.78 34.54 3kjt n ASN 173 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kjt n GLY 174 N -1.36 0.13 3.07 7.41 0.00 -1.26 -4.70 105.19 108.48 3kjt n GLY 174 Ca -0.26 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 3kjt n GLY 174 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kjt s LYS 175 N -4.35 0.39 0.02 1.61 2.20 -0.60 -1.62 119.74 117.39 3kjt s LYS 175 Ca 0.00 -0.31 -0.18 0.00 -0.36 0.00 0.00 55.97 55.13 3kjt s LYS 175 Cb 0.00 0.16 -0.06 0.00 -1.51 0.00 0.00 37.83 36.42 3kjt s LYS 175 CO 0.00 -0.09 0.50 0.71 -0.36 0.00 0.00 175.35 176.12 3kjt s TYR 176 N -1.09 3.73 -0.49 4.03 2.02 -1.26 -0.12 117.35 124.16 3kjt s TYR 176 Ca -0.12 1.12 -0.13 0.00 -0.37 0.00 0.00 57.07 57.57 3kjt s TYR 176 Cb -0.07 -2.44 0.11 0.00 -0.40 0.00 0.00 41.96 39.16 3kjt s TYR 176 CO 0.01 0.53 0.40 0.34 -1.57 0.00 0.00 175.55 175.27 3kjt s ASP 177 N -0.79 5.96 0.00 2.29 2.15 -0.40 -4.93 116.67 120.95 3kjt s ASP 177 Ca 0.27 -1.70 0.14 0.00 0.43 0.00 0.00 52.55 51.69 3kjt s ASP 177 Cb -0.18 -2.12 0.83 0.00 -0.30 0.00 0.00 42.92 41.16 3kjt s ASP 177 CO 0.16 -0.73 1.25 2.30 -0.17 0.00 0.00 175.17 177.98 3kjt n ILE 178 N 5.09 0.00 0.53 4.11 -5.35 -1.26 -1.92 119.36 120.56 3kjt n ILE 178 Ca -0.11 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.48 3kjt n ILE 178 Cb 0.41 -0.76 0.06 0.00 -1.74 0.00 0.00 39.64 37.61 3kjt n ILE 178 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kjt n LYS 179 N -0.99 0.31 -3.88 6.28 5.02 -1.26 -4.67 118.16 118.97 3kjt n LYS 179 Ca 0.10 0.03 -0.33 0.00 -2.02 0.00 0.00 58.31 56.10 3kjt n LYS 179 Cb 0.05 -1.63 -0.13 0.00 -0.02 0.00 0.00 35.03 33.30 3kjt n LYS 179 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3kjt s ASP 180 N -4.10 4.74 -0.10 4.39 -1.08 -0.81 -5.07 116.67 114.64 3kjt s ASP 180 Ca 0.04 -2.72 -0.02 0.00 -0.52 0.00 0.00 52.55 49.32 3kjt s ASP 180 Cb 0.14 -1.71 -0.03 0.00 -1.46 0.00 0.00 42.92 39.85 3kjt s ASP 180 CO 0.78 -0.33 -0.01 -0.69 0.52 0.00 0.00 175.17 175.45 3kjt s VAL 181 N 0.12 4.22 -0.58 1.11 1.01 -1.26 -1.75 120.40 123.26 3kjt s VAL 181 Ca 0.15 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.87 3kjt s VAL 181 Cb -0.23 -2.78 0.41 0.00 0.00 0.00 0.00 36.38 33.78 3kjt s VAL 181 CO -0.03 0.58 1.55 0.61 0.00 0.00 0.00 175.10 177.82 3kjt n GLY 182 N 2.40 5.89 0.07 4.51 0.00 -0.03 -4.70 105.19 113.33 3kjt n GLY 182 Ca -0.18 -2.60 0.06 0.00 0.00 0.00 0.00 46.02 43.30 3kjt n GLY 182 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kjt n VAL 183 N -0.60 0.67 -1.20 1.61 0.24 -1.22 -1.37 118.33 116.48 3kjt n VAL 183 Ca 0.48 -0.61 0.06 0.00 -2.04 0.00 0.00 64.34 62.23 3kjt n VAL 183 Cb 0.56 -0.36 0.20 0.00 -1.47 0.00 0.00 33.84 32.78 3kjt n VAL 183 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3kjt n ASP 184 N -2.61 2.75 -4.41 -1.34 5.75 -1.26 -4.67 116.55 110.76 3kjt n ASP 184 Ca -0.08 -3.32 -0.28 0.00 -0.01 0.00 0.00 54.79 51.10 3kjt n ASP 184 Cb 0.71 -0.52 0.15 0.00 -1.03 0.00 0.00 41.12 40.43 3kjt n ASP 184 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3kjt s ASN 185 N -2.58 3.68 0.30 -1.12 2.20 -1.26 -4.81 114.94 111.36 3kjt s ASN 185 Ca 0.38 0.24 0.03 0.00 -0.94 0.00 0.00 52.86 52.58 3kjt s ASN 185 Cb 0.34 -0.47 0.61 0.00 -2.00 0.00 0.00 41.25 39.73 3kjt s ASN 185 CO 0.03 -2.36 1.84 0.00 -2.94 0.00 0.00 177.10 173.67 3kjt h ALA 186 N -1.27 1.59 -0.13 3.54 0.00 -1.94 -1.58 119.26 119.46 3kjt h ALA 186 Ca -0.43 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 3kjt h ALA 186 Cb 1.26 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3kjt h ALA 186 CO 0.44 0.16 -0.01 0.78 0.00 0.00 0.00 179.25 180.62 3kjt h GLY 187 N 0.93 0.27 0.99 0.00 0.00 -1.86 -1.20 103.07 102.20 3kjt h GLY 187 Ca 0.49 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 3kjt h GLY 187 CO -0.26 0.19 0.33 0.00 0.00 0.00 0.00 176.54 176.80 3kjt h ALA 188 N 0.73 0.79 -0.73 3.60 0.00 -1.54 -1.67 119.26 120.45 3kjt h ALA 188 Ca 0.04 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3kjt h ALA 188 Cb 0.40 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3kjt h ALA 188 CO 0.01 0.32 0.26 0.87 0.00 0.00 0.00 179.25 180.71 3kjt h LYS 189 N 0.84 1.10 -0.40 0.00 1.57 -1.25 -0.98 116.57 117.45 3kjt h LYS 189 Ca 0.22 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3kjt h LYS 189 Cb 0.06 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3kjt h LYS 189 CO -0.03 0.91 0.13 0.00 -0.57 0.00 0.00 179.45 179.89 3kjt h ALA 190 N 1.22 0.53 -0.25 3.86 0.00 -0.80 -0.82 119.26 123.00 3kjt h ALA 190 Ca 0.24 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3kjt h ALA 190 Cb 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3kjt h ALA 190 CO -0.02 0.17 0.03 0.78 0.00 0.00 0.00 179.25 180.22 3kjt h GLY 191 N 0.51 0.45 1.58 0.00 0.00 -1.05 -1.80 103.07 102.77 3kjt h GLY 191 Ca 0.13 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 3kjt h GLY 191 CO -0.00 0.29 -0.26 -2.00 0.00 0.00 0.00 176.54 174.57 3kjt h LEU 192 N 0.22 0.49 -0.83 3.11 5.85 -1.15 -1.87 115.31 121.13 3kjt h LEU 192 Ca 0.07 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 3kjt h LEU 192 Cb 0.35 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3kjt h LEU 192 CO 0.01 0.74 0.24 0.74 -0.34 0.00 0.00 178.44 179.82 3kjt h THR 193 N 0.43 1.26 -0.60 1.05 2.02 -1.02 0.12 112.91 116.17 3kjt h THR 193 Ca 0.06 -0.87 -0.09 0.00 0.77 0.00 0.00 66.41 66.28 3kjt h THR 193 Cb 0.68 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 3kjt h THR 193 CO 0.05 0.34 0.01 0.15 0.37 0.00 0.00 175.52 176.44 3kjt h PHE 194 N 1.07 1.15 -0.29 3.16 3.57 -0.90 0.56 116.94 125.26 3kjt h PHE 194 Ca 0.24 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3kjt h PHE 194 Cb 0.28 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 3kjt h PHE 194 CO 0.02 1.01 0.13 1.25 -2.23 0.00 0.00 178.31 178.49 3kjt h LEU 195 N 0.95 0.39 -1.19 0.59 5.85 -0.88 -1.70 115.31 119.32 3kjt h LEU 195 Ca 0.17 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 3kjt h LEU 195 Cb 0.55 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3kjt h LEU 195 CO 0.03 0.44 0.00 0.58 -0.34 0.00 0.00 178.44 179.15 3kjt h VAL 196 N 0.33 1.20 -0.19 1.05 2.07 -0.77 -2.19 116.25 117.75 3kjt h VAL 196 Ca 0.10 -0.81 -0.08 0.00 0.82 0.00 0.00 66.70 66.73 3kjt h VAL 196 Cb 0.16 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3kjt h VAL 196 CO -0.01 0.28 -0.23 0.44 0.02 0.00 0.00 177.57 178.07 3kjt h ASP 197 N 0.54 0.35 -0.42 0.57 3.32 -0.51 -0.64 116.42 119.62 3kjt h ASP 197 Ca 0.12 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 3kjt h ASP 197 Cb 0.34 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3kjt h ASP 197 CO 0.01 0.59 0.09 -0.07 -1.72 0.00 0.00 179.24 178.14 3kjt h LEU 198 N 0.32 0.70 -0.04 1.55 3.38 -0.68 -1.21 115.31 119.33 3kjt h LEU 198 Ca 0.05 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 3kjt h LEU 198 Cb 0.59 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.16 3kjt h LEU 198 CO 0.04 0.71 -0.46 0.40 0.09 0.00 0.00 178.44 179.23 3kjt h ILE 199 N 0.72 1.43 0.00 1.22 5.03 -1.19 0.22 117.51 124.95 3kjt h ILE 199 Ca 0.16 -1.92 -0.04 0.00 -0.12 0.00 0.00 64.86 62.94 3kjt h ILE 199 Cb 0.31 2.48 -0.01 0.00 -3.03 0.00 0.00 36.82 36.57 3kjt h ILE 199 CO 0.00 0.56 -0.17 0.07 -0.68 0.00 0.00 178.15 177.93 3kjt h LYS 200 N -0.13 0.00 -0.25 2.37 2.10 -1.01 -1.55 116.57 118.09 3kjt h LYS 200 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 3kjt h LYS 200 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 3kjt h LYS 200 CO 0.09 0.17 0.00 0.09 -2.00 0.00 0.00 179.45 177.80 3kjt n ASN 201 N -3.71 2.02 -0.83 7.07 5.03 -0.47 -4.94 115.26 119.44 3kjt n ASN 201 Ca -0.02 -1.82 -0.11 0.00 0.87 0.00 0.00 54.58 53.51 3kjt n ASN 201 Cb 0.29 -0.16 -0.05 0.00 -1.02 0.00 0.00 39.78 38.84 3kjt n ASN 201 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3kjt n LYS 202 N 0.56 -0.77 0.17 3.52 4.76 -0.58 -4.89 118.16 120.93 3kjt n LYS 202 Ca 0.16 0.88 0.11 0.00 -2.87 0.00 0.00 58.31 56.59 3kjt n LYS 202 Cb 0.37 -4.84 0.10 0.00 -1.84 0.00 0.00 35.03 28.82 3kjt n LYS 202 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3kjt h HIS 203 N 0.00 0.00 -3.77 2.13 3.86 -0.78 -3.46 115.15 113.12 3kjt h HIS 203 Ca -0.22 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 58.88 3kjt h HIS 203 Cb 0.71 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.02 3kjt h HIS 203 CO 0.31 0.03 -0.45 -1.64 0.86 0.00 0.00 177.93 177.05 3kjt s MET 204 N -3.25 0.71 -0.13 2.45 -1.94 -1.05 -4.74 119.30 111.35 3kjt s MET 204 Ca 0.04 -0.83 -0.03 0.00 -1.71 0.00 0.00 55.69 53.16 3kjt s MET 204 Cb 0.07 0.28 -0.03 0.00 2.01 0.00 0.00 34.83 37.16 3kjt s MET 204 CO 0.72 -0.20 -0.03 -0.80 -0.01 0.00 0.00 175.02 174.69 3kjt s ASN 205 N -2.45 4.88 0.58 3.03 0.02 -1.26 -4.26 114.94 115.48 3kjt s ASN 205 Ca -0.00 -0.05 0.29 0.00 -1.02 0.00 0.00 52.86 52.08 3kjt s ASN 205 Cb 0.02 -1.62 1.75 0.00 0.02 0.00 0.00 41.25 41.42 3kjt s ASN 205 CO -0.07 0.24 2.22 0.00 0.02 0.00 0.00 177.10 179.51 3kjt h ALA 206 N 6.14 1.46 -0.01 0.60 0.00 -1.93 -2.44 119.26 123.09 3kjt h ALA 206 Ca -0.38 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3kjt h ALA 206 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3kjt h ALA 206 CO 0.60 0.04 -0.03 -0.40 0.00 0.00 0.00 179.25 179.46 3kjt n ASP 207 N -3.79 1.05 -4.71 0.00 5.75 -1.26 -4.78 116.55 108.81 3kjt n ASP 207 Ca -0.03 -1.27 -0.42 0.00 -0.01 0.00 0.00 54.79 53.06 3kjt n ASP 207 Cb 0.12 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.18 3kjt n ASP 207 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3kjt s THR 208 N -2.07 2.68 0.10 2.12 2.01 -0.92 -4.99 115.64 114.57 3kjt s THR 208 Ca 0.39 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.78 3kjt s THR 208 Cb 0.21 -3.25 -0.00 0.00 0.01 0.00 0.00 72.50 69.47 3kjt s THR 208 CO 0.37 0.02 0.01 -0.90 -0.69 0.00 0.00 174.62 173.42 3kjt n ASP 209 N 4.56 2.06 0.19 3.53 5.68 -1.26 -1.90 116.55 129.41 3kjt n ASP 209 Ca 0.15 -1.47 -0.15 0.00 -0.50 0.00 0.00 54.79 52.83 3kjt n ASP 209 Cb 0.39 0.10 -0.07 0.00 -1.14 0.00 0.00 41.12 40.40 3kjt n ASP 209 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 3kjt h TYR 210 N 1.07 -0.81 -0.54 2.11 3.20 -1.92 -2.09 116.97 118.00 3kjt h TYR 210 Ca -0.08 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.73 3kjt h TYR 210 Cb 0.27 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 3kjt h TYR 210 CO 0.00 -0.43 0.10 0.77 -1.64 0.00 0.00 178.16 176.96 3kjt h SER 211 N -0.63 0.80 -0.19 -2.11 0.02 -1.99 -1.08 113.55 108.38 3kjt h SER 211 Ca -0.01 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 3kjt h SER 211 Cb 0.58 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3kjt h SER 211 CO -0.07 0.81 0.06 0.40 -1.14 0.00 0.00 176.83 176.88 3kjt h ILE 212 N 0.81 1.19 -0.60 3.27 1.08 -1.95 -1.74 117.51 119.58 3kjt h ILE 212 Ca 0.17 -0.60 -0.06 0.00 -0.39 0.00 0.00 64.86 63.98 3kjt h ILE 212 Cb 0.35 1.24 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 3kjt h ILE 212 CO 0.00 0.19 0.12 0.00 -0.69 0.00 0.00 178.15 177.78 3kjt h ALA 213 N 0.87 0.79 -0.50 1.87 0.00 -1.21 -1.82 119.26 119.26 3kjt h ALA 213 Ca 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3kjt h ALA 213 Cb 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3kjt h ALA 213 CO -0.00 0.51 0.27 1.49 0.00 0.00 0.00 179.25 181.53 3kjt h GLU 214 N 0.87 0.70 -0.56 0.00 4.81 -1.11 -1.46 114.58 117.83 3kjt h GLU 214 Ca 0.18 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 3kjt h GLU 214 Cb 0.38 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3kjt h GLU 214 CO 0.01 0.54 0.13 0.00 -0.73 0.00 0.00 179.01 178.96 3kjt h ALA 215 N 1.11 0.75 -0.64 2.92 0.00 -1.21 -1.14 119.26 121.05 3kjt h ALA 215 Ca 0.18 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kjt h ALA 215 Cb 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3kjt h ALA 215 CO -0.03 0.45 0.39 0.00 0.00 0.00 0.00 179.25 180.07 3kjt h ALA 216 N 1.02 0.81 -0.42 0.00 0.00 -1.07 -0.89 119.26 118.71 3kjt h ALA 216 Ca 0.18 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 3kjt h ALA 216 Cb 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kjt h ALA 216 CO 0.00 0.28 -0.25 0.35 0.00 0.00 0.00 179.25 179.63 3kjt h PHE 217 N 0.86 1.06 0.00 0.00 3.57 -1.11 -0.48 116.94 120.84 3kjt h PHE 217 Ca 0.23 -0.28 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 3kjt h PHE 217 Cb -0.04 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.46 3kjt h PHE 217 CO -0.02 1.08 -0.08 -0.91 -2.23 0.00 0.00 178.31 176.14 3kjt h ASN 218 N 0.73 0.00 -0.01 0.41 -0.26 -0.79 -2.54 115.58 113.13 3kjt h ASN 218 Ca 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 3kjt h ASN 218 Cb 0.82 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.08 3kjt h ASN 218 CO 0.07 0.08 -0.08 0.29 -1.06 0.00 0.00 177.43 176.73 3kjt n LYS 219 N -3.35 1.94 -1.58 0.81 5.02 -0.38 -4.73 118.16 115.90 3kjt n LYS 219 Ca -0.01 -1.51 -0.03 0.00 -2.02 0.00 0.00 58.31 54.74 3kjt n LYS 219 Cb 0.26 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 3kjt n LYS 219 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kjt n GLY 220 N 1.32 0.44 0.11 0.72 0.00 -0.96 -4.94 105.19 101.87 3kjt n GLY 220 Ca 0.14 -0.84 0.03 0.00 0.00 0.00 0.00 46.02 45.35 3kjt n GLY 220 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kjt h GLU 221 N 0.00 0.00 -5.75 1.61 5.08 -1.32 -3.46 114.58 110.74 3kjt h GLU 221 Ca -0.07 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.76 3kjt h GLU 221 Cb 0.64 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.63 3kjt h GLU 221 CO 0.10 0.25 -0.82 -0.08 -1.00 0.00 0.00 179.01 177.46 3kjt s THR 222 N -3.02 1.43 -0.16 1.13 -1.32 -1.18 -1.98 115.64 110.55 3kjt s THR 222 Ca -0.01 -1.04 0.20 0.00 -1.21 0.00 0.00 61.69 59.62 3kjt s THR 222 Cb 0.09 -1.24 0.19 0.00 -1.51 0.00 0.00 72.50 70.03 3kjt s THR 222 CO 0.80 0.17 1.60 0.00 -2.21 0.00 0.00 174.62 174.98 3kjt h ALA 223 N 5.05 0.86 -2.53 11.08 0.00 -1.01 -3.43 119.26 129.27 3kjt h ALA 223 Ca -0.40 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.16 3kjt h ALA 223 Cb 1.16 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 3kjt h ALA 223 CO 0.45 0.35 -0.37 -1.64 0.00 0.00 0.00 179.25 178.03 3kjt s MET 224 N -3.22 0.78 0.25 0.00 -1.94 -0.23 -0.61 119.30 114.33 3kjt s MET 224 Ca 0.04 -0.82 -0.10 0.00 -1.71 0.00 0.00 55.69 53.10 3kjt s MET 224 Cb 0.08 0.32 -0.01 0.00 2.01 0.00 0.00 34.83 37.23 3kjt s MET 224 CO 0.69 -0.24 0.42 -0.08 -0.01 0.00 0.00 175.02 175.80 3kjt s THR 225 N -3.32 0.00 -0.13 2.05 -1.32 -0.14 -1.75 115.64 111.03 3kjt s THR 225 Ca 0.01 -1.52 0.01 0.00 -1.21 0.00 0.00 61.69 58.98 3kjt s THR 225 Cb 0.02 -2.30 0.02 0.00 -1.51 0.00 0.00 72.50 68.73 3kjt s THR 225 CO -0.08 0.00 -0.13 -0.63 -2.21 0.00 0.00 174.62 171.57 3kjt s ILE 226 N -3.93 1.43 0.33 5.08 1.01 -1.26 -1.25 121.20 122.61 3kjt s ILE 226 Ca 0.26 -0.56 -0.18 0.00 0.00 0.00 0.00 60.65 60.16 3kjt s ILE 226 Cb 0.01 -1.34 0.05 0.00 0.01 0.00 0.00 42.46 41.18 3kjt s ILE 226 CO 0.11 0.43 0.79 0.21 0.00 0.00 0.00 174.94 176.48 3kjt s ASN 227 N 1.33 -0.08 0.56 3.58 3.84 -1.07 -4.71 114.94 118.39 3kjt s ASN 227 Ca 0.00 -0.93 0.08 0.00 0.21 0.00 0.00 52.86 52.23 3kjt s ASN 227 Cb -0.14 0.78 0.07 0.00 -0.55 0.00 0.00 41.25 41.41 3kjt s ASN 227 CO -0.07 -1.52 0.64 -0.83 -2.79 0.00 0.00 177.10 172.54 3kjt s GLY 228 N -3.04 1.97 0.50 1.21 0.00 -1.26 -1.77 107.32 104.93 3kjt s GLY 228 Ca 0.14 -1.81 0.23 0.00 0.00 0.00 0.00 44.72 43.29 3kjt s GLY 228 CO 0.09 -1.78 1.95 -2.55 0.00 0.00 0.00 173.10 170.81 3kjt h PRO 229 N 0.40 0.14 0.00 2.90 0.11 -1.98 -1.27 132.00 132.30 3kjt h PRO 229 Ca -0.33 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.78 3kjt h PRO 229 Cb 1.29 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kjt h PRO 229 CO 0.47 0.09 -0.00 0.11 -0.21 0.00 0.00 178.00 178.46 3kjt h TRP 230 N 0.14 0.00 0.00 0.65 0.09 -1.98 -2.69 115.95 112.17 3kjt h TRP 230 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.31 3kjt h TRP 230 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.35 3kjt h TRP 230 CO -0.00 0.00 -0.86 0.00 0.09 0.00 0.00 178.44 177.68 3kjt h ALA 231 N 2.00 0.51 -0.78 0.11 0.00 -1.62 -3.39 119.26 116.09 3kjt h ALA 231 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3kjt h ALA 231 Cb 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 3kjt h ALA 231 CO 0.00 0.00 0.43 -1.49 0.00 0.00 0.00 179.25 178.19 3kjt h TRP 232 N 0.00 0.78 -0.01 0.00 6.55 -1.60 -1.95 115.95 119.72 3kjt h TRP 232 Ca 0.00 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.87 3kjt h TRP 232 Cb 0.87 -0.23 -0.00 0.00 -0.86 0.00 0.00 29.16 28.94 3kjt h TRP 232 CO 0.00 0.32 0.01 1.03 -1.05 0.00 0.00 178.44 178.74 3kjt h SER 233 N 0.73 0.00 -0.16 -3.49 0.87 -1.78 -2.33 113.55 107.39 3kjt h SER 233 Ca 0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 3kjt h SER 233 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3kjt h SER 233 CO -0.24 0.00 0.00 -3.20 -0.53 0.00 0.00 176.83 172.86 3kjt n ASN 234 N -3.67 2.98 -4.71 6.23 5.15 -0.74 -4.91 115.26 115.58 3kjt n ASN 234 Ca -0.03 -1.94 -0.42 0.00 -0.60 0.00 0.00 54.58 51.59 3kjt n ASN 234 Cb 0.09 -0.09 -0.03 0.00 -0.53 0.00 0.00 39.78 39.21 3kjt n ASN 234 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3kjt s ILE 235 N -1.81 4.17 -0.96 -1.44 -1.09 -0.88 -4.93 121.20 114.26 3kjt s ILE 235 Ca 0.33 1.56 -0.24 0.00 -2.23 0.00 0.00 60.65 60.07 3kjt s ILE 235 Cb 0.21 -4.00 0.01 0.00 -1.58 0.00 0.00 42.46 37.10 3kjt s ILE 235 CO 0.31 0.12 1.64 -0.62 -1.23 0.00 0.00 174.94 175.17 3kjt s ASP 236 N 1.03 5.94 0.00 3.58 -1.08 -1.26 -4.81 116.67 120.07 3kjt s ASP 236 Ca 0.57 -1.09 0.16 0.00 -0.52 0.00 0.00 52.55 51.67 3kjt s ASP 236 Cb -0.28 -2.56 0.71 0.00 -1.46 0.00 0.00 42.92 39.32 3kjt s ASP 236 CO 0.29 -2.01 1.49 0.35 0.52 0.00 0.00 175.17 175.80 3kjt n THR 237 N 7.26 0.81 0.29 1.71 -2.24 -1.26 -0.92 114.28 119.94 3kjt n THR 237 Ca 0.35 0.20 0.14 0.00 -2.27 0.00 0.00 64.05 62.47 3kjt n THR 237 Cb 0.49 -0.94 0.36 0.00 -2.10 0.00 0.00 70.33 68.14 3kjt n THR 237 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3kjt h SER 238 N 0.00 0.00 0.00 3.42 4.64 -1.98 -3.34 113.55 116.30 3kjt h SER 238 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3kjt h SER 238 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3kjt h SER 238 CO 0.00 0.00 -1.24 0.29 -0.87 0.00 0.00 176.83 175.01 3kjt n LYS 239 N -2.95 3.11 -4.95 4.77 5.02 -0.78 -5.05 118.16 117.33 3kjt n LYS 239 Ca 0.03 -0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.04 3kjt n LYS 239 Cb 0.44 -1.09 -0.16 0.00 -0.02 0.00 0.00 35.03 34.20 3kjt n LYS 239 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kjt s VAL 240 N -2.10 1.61 -0.43 -0.18 1.01 -0.09 -4.95 120.40 115.27 3kjt s VAL 240 Ca -0.02 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 3kjt s VAL 240 Cb 0.01 -1.39 0.06 0.00 0.00 0.00 0.00 36.38 35.07 3kjt s VAL 240 CO 0.15 0.46 0.31 0.21 0.00 0.00 0.00 175.10 176.23 3kjt s ASN 241 N 0.10 5.90 0.29 3.32 2.47 -1.26 -4.24 114.94 121.52 3kjt s ASN 241 Ca -0.07 -1.29 0.09 0.00 0.42 0.00 0.00 52.86 52.01 3kjt s ASN 241 Cb -0.13 -2.09 -0.04 0.00 -1.45 0.00 0.00 41.25 37.54 3kjt s ASN 241 CO 0.03 -0.55 0.04 -0.72 -3.72 0.00 0.00 177.10 172.18 3kjt s TYR 242 N 1.56 2.69 0.23 0.43 1.13 -1.26 -0.47 117.35 121.66 3kjt s TYR 242 Ca 0.03 -0.28 0.04 0.00 -1.41 0.00 0.00 57.07 55.46 3kjt s TYR 242 Cb -0.23 -1.33 -0.05 0.00 -1.10 0.00 0.00 41.96 39.25 3kjt s TYR 242 CO 0.05 0.54 -0.03 0.20 -2.51 0.00 0.00 175.55 173.80 3kjt s GLY 243 N -3.72 1.55 -0.04 5.49 0.00 -0.16 -4.87 107.32 105.56 3kjt s GLY 243 Ca 0.33 -1.76 0.01 0.00 0.00 0.00 0.00 44.72 43.31 3kjt s GLY 243 CO 0.21 -1.69 -0.06 0.14 0.00 0.00 0.00 173.10 171.69 3kjt s VAL 244 N -3.32 0.65 0.33 1.40 1.01 -1.26 -1.44 120.40 117.77 3kjt s VAL 244 Ca 0.27 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.08 3kjt s VAL 244 Cb 0.05 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 3kjt s VAL 244 CO 0.08 0.24 0.36 1.07 0.00 0.00 0.00 175.10 176.85 3kjt n THR 245 N 3.88 0.00 -1.97 3.92 5.66 0.34 -4.58 114.28 121.54 3kjt n THR 245 Ca -0.24 -2.08 -0.40 0.00 -3.05 0.00 0.00 64.05 58.29 3kjt n THR 245 Cb 0.51 1.12 0.00 0.00 -1.55 0.00 0.00 70.33 70.42 3kjt n THR 245 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3kjt s VAL 246 N -3.09 2.44 0.71 1.08 0.11 -1.26 -1.93 120.40 118.46 3kjt s VAL 246 Ca 0.34 0.39 -0.16 0.00 -2.93 0.00 0.00 61.98 59.63 3kjt s VAL 246 Cb 0.01 -3.23 0.03 0.00 -1.53 0.00 0.00 36.38 31.65 3kjt s VAL 246 CO 0.24 0.06 1.20 -0.76 -3.33 0.00 0.00 175.10 172.51 3kjt s LEU 247 N -2.53 3.37 0.72 2.54 1.43 -1.26 -4.58 118.68 118.36 3kjt s LEU 247 Ca 0.58 2.34 -0.14 0.00 -1.03 0.00 0.00 54.13 55.89 3kjt s LEU 247 Cb -0.40 -4.59 0.03 0.00 0.03 0.00 0.00 46.19 41.26 3kjt s LEU 247 CO 0.51 -2.12 1.13 -2.84 0.23 0.00 0.00 176.35 173.26 3kjt s PRO 248 N -3.83 2.41 0.49 1.29 0.02 -1.26 -4.64 135.00 129.46 3kjt s PRO 248 Ca 0.74 1.45 -0.04 0.00 0.02 0.00 0.00 61.00 63.18 3kjt s PRO 248 Cb -0.29 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.32 3kjt s PRO 248 CO 0.43 -1.57 0.77 0.95 -0.33 0.00 0.00 177.00 177.25 3kjt s THR 249 N -2.38 4.42 -0.04 0.99 -4.23 0.18 -3.51 115.64 111.08 3kjt s THR 249 Ca 0.68 -0.06 0.01 0.00 -1.18 0.00 0.00 61.69 61.13 3kjt s THR 249 Cb -0.22 -3.68 0.02 0.00 1.34 0.00 0.00 72.50 69.96 3kjt s THR 249 CO 0.46 -0.62 -0.03 0.12 -0.54 0.00 0.00 174.62 174.02 3kjt s PHE 250 N -2.72 0.62 -1.39 3.99 5.36 0.07 -0.64 117.98 123.27 3kjt s PHE 250 Ca 0.48 -0.15 -0.06 0.00 -0.96 0.00 0.00 56.93 56.25 3kjt s PHE 250 Cb -0.10 -0.61 0.03 0.00 -0.34 0.00 0.00 43.02 42.00 3kjt s PHE 250 CO 0.43 -0.19 0.44 1.63 -1.46 0.00 0.00 175.22 176.07 3kjt n LYS 251 N 4.19 -3.75 -0.88 10.12 5.02 -1.26 -1.00 118.16 130.60 3kjt n LYS 251 Ca -0.23 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 3kjt n LYS 251 Cb 0.51 -5.45 0.00 0.00 -0.02 0.00 0.00 35.03 30.07 3kjt n LYS 251 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kjt n GLY 252 N -1.25 0.86 3.78 0.72 0.00 -1.26 -5.01 105.19 103.02 3kjt n GLY 252 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 3kjt n GLY 252 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kjt s GLN 253 N -0.18 3.11 0.53 1.61 -0.21 -0.17 -5.01 119.66 119.33 3kjt s GLN 253 Ca 0.00 -0.42 -0.22 0.00 0.02 0.00 0.00 55.36 54.74 3kjt s GLN 253 Cb 0.00 -2.89 -0.05 0.00 1.00 0.00 0.00 33.01 31.06 3kjt s GLN 253 CO 0.00 0.68 1.28 -2.14 -2.12 0.00 0.00 175.29 172.99 3kjt s PRO 254 N -1.48 3.31 0.52 2.91 0.02 -1.26 -0.75 135.00 138.27 3kjt s PRO 254 Ca 0.20 2.04 -0.21 0.00 0.02 0.00 0.00 61.00 63.06 3kjt s PRO 254 Cb -0.12 -2.26 -0.06 0.00 0.02 0.00 0.00 34.50 32.08 3kjt s PRO 254 CO 0.10 -1.00 1.16 -1.12 -0.33 0.00 0.00 177.00 175.82 3kjt s SER 255 N -1.16 5.77 -0.59 2.53 0.01 -1.23 -4.45 113.70 114.59 3kjt s SER 255 Ca 0.70 2.27 0.04 0.00 1.31 0.00 0.00 55.95 60.28 3kjt s SER 255 Cb -0.36 -2.59 0.15 0.00 0.21 0.00 0.00 66.02 63.43 3kjt s SER 255 CO 0.42 -1.19 0.37 -0.54 0.41 0.00 0.00 173.24 172.72 3kjt s LYS 256 N -3.08 2.06 0.62 12.44 1.02 -0.77 -4.63 119.74 127.40 3kjt s LYS 256 Ca 0.70 -2.87 -0.16 0.00 0.02 0.00 0.00 55.97 53.67 3kjt s LYS 256 Cb -0.27 -3.13 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 3kjt s LYS 256 CO 0.31 -1.22 1.10 -1.25 -0.92 0.00 0.00 175.35 173.38 3kjt s PRO 257 N -0.75 3.01 0.30 -1.68 0.04 -1.26 -4.17 135.00 130.48 3kjt s PRO 257 Ca 0.22 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.37 3kjt s PRO 257 Cb -0.14 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 3kjt s PRO 257 CO -0.09 -1.09 1.33 -0.06 0.04 0.00 0.00 177.00 177.13 3kjt s PHE 258 N -2.24 3.08 -0.19 0.56 0.08 -1.26 -1.10 117.98 116.91 3kjt s PHE 258 Ca 0.68 1.31 -0.05 0.00 0.12 0.00 0.00 56.93 58.99 3kjt s PHE 258 Cb -0.20 -3.69 -0.03 0.00 -0.57 0.00 0.00 43.02 38.53 3kjt s PHE 258 CO 0.37 -2.01 -0.00 0.08 -0.10 0.00 0.00 175.22 173.56 3kjt s VAL 259 N -0.73 3.98 0.29 -0.44 1.01 0.89 -4.56 120.40 120.84 3kjt s VAL 259 Ca 0.52 -0.31 0.11 0.00 0.00 0.00 0.00 61.98 62.30 3kjt s VAL 259 Cb -0.40 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 3kjt s VAL 259 CO 0.49 0.44 -0.14 -0.83 0.00 0.00 0.00 175.10 175.06 3kjt s GLY 260 N 0.88 1.90 0.00 4.51 0.00 -0.60 -1.85 107.32 112.16 3kjt s GLY 260 Ca 0.01 -1.87 -0.00 0.00 0.00 0.00 0.00 44.72 42.85 3kjt s GLY 260 CO 0.02 -1.93 0.01 0.54 0.00 0.00 0.00 173.10 171.74 3kjt s VAL 261 N -2.49 0.02 -0.16 1.40 0.11 -1.26 -0.38 120.40 117.64 3kjt s VAL 261 Ca 0.31 -0.17 -0.28 0.00 -2.93 0.00 0.00 61.98 58.91 3kjt s VAL 261 Cb -0.04 -0.07 -0.01 0.00 -1.53 0.00 0.00 36.38 34.73 3kjt s VAL 261 CO 0.16 -0.10 0.94 -0.22 -3.33 0.00 0.00 175.10 172.56 3kjt s LEU 262 N -0.28 4.19 0.19 2.54 2.96 -0.27 -4.58 118.68 123.43 3kjt s LEU 262 Ca -0.03 1.35 0.11 0.00 -0.22 0.00 0.00 54.13 55.34 3kjt s LEU 262 Cb -0.02 -3.42 -0.04 0.00 0.50 0.00 0.00 46.19 43.21 3kjt s LEU 262 CO -0.00 -0.47 -0.23 -0.44 -1.32 0.00 0.00 176.35 173.89 3kjt s SER 263 N 1.14 3.28 -0.25 3.68 0.01 -0.23 -0.07 113.70 121.26 3kjt s SER 263 Ca 0.43 -0.88 0.01 0.00 1.31 0.00 0.00 55.95 56.82 3kjt s SER 263 Cb -0.17 -0.24 0.04 0.00 0.21 0.00 0.00 66.02 65.87 3kjt s SER 263 CO 0.13 0.08 -0.10 0.00 0.41 0.00 0.00 173.24 173.76 3kjt s ALA 264 N -1.80 2.59 0.24 1.44 0.00 0.30 -1.13 121.76 123.39 3kjt s ALA 264 Ca 0.20 -1.57 0.07 0.00 0.00 0.00 0.00 51.96 50.66 3kjt s ALA 264 Cb -0.07 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 3kjt s ALA 264 CO 0.09 -0.92 0.18 0.20 0.00 0.00 0.00 175.76 175.31 3kjt s GLY 265 N 1.22 1.46 -0.17 0.00 0.00 0.19 -0.87 107.32 109.14 3kjt s GLY 265 Ca -0.03 -1.41 -0.04 0.00 0.00 0.00 0.00 44.72 43.24 3kjt s GLY 265 CO -0.06 -1.45 -0.02 -0.42 0.00 0.00 0.00 173.10 171.15 3kjt s ILE 266 N -2.10 3.88 0.08 0.90 1.09 -1.26 -1.07 121.20 122.73 3kjt s ILE 266 Ca 0.32 -0.35 -0.33 0.00 -1.10 0.00 0.00 60.65 59.19 3kjt s ILE 266 Cb -0.08 -2.72 -0.13 0.00 -1.06 0.00 0.00 42.46 38.47 3kjt s ILE 266 CO 0.24 0.47 1.71 -3.20 -0.10 0.00 0.00 174.94 174.06 3kjt n ASN 267 N 3.85 3.37 0.33 3.58 2.85 -0.02 -0.64 115.26 128.58 3kjt n ASN 267 Ca -0.17 1.04 0.22 0.00 -0.11 0.00 0.00 54.58 55.55 3kjt n ASN 267 Cb 0.52 -1.43 1.15 0.00 1.24 0.00 0.00 39.78 41.26 3kjt n ASN 267 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kjt h ALA 268 N 7.32 1.04 -0.18 5.20 0.00 -1.38 -1.47 119.26 129.79 3kjt h ALA 268 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3kjt h ALA 268 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3kjt h ALA 268 CO 0.92 0.00 0.00 0.00 0.00 0.00 0.00 179.25 180.17 3kjt n ALA 269 N -2.10 2.47 -1.95 0.00 0.00 -1.26 -4.87 120.51 112.80 3kjt n ALA 269 Ca -0.03 -0.74 -0.41 0.00 0.00 0.00 0.00 53.44 52.27 3kjt n ALA 269 Cb 0.09 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 3kjt n ALA 269 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kjt s SER 270 N -1.75 7.16 0.00 0.00 0.15 -0.55 -4.74 113.70 113.97 3kjt s SER 270 Ca 0.34 2.24 0.20 0.00 0.70 0.00 0.00 55.95 59.43 3kjt s SER 270 Cb 0.21 -2.61 0.61 0.00 -1.71 0.00 0.00 66.02 62.51 3kjt s SER 270 CO 0.30 -0.28 1.47 -0.81 1.20 0.00 0.00 173.24 175.13 3kjt n PRO 271 N 1.98 1.97 -0.96 5.44 -0.04 -1.26 -4.08 135.00 138.05 3kjt n PRO 271 Ca 0.02 -1.46 -0.07 0.00 -0.04 0.00 0.00 63.50 61.95 3kjt n PRO 271 Cb 0.45 -1.41 0.17 0.00 -0.04 0.00 0.00 33.50 32.67 3kjt n PRO 271 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kjt n ASN 272 N 0.68 2.87 -0.15 3.54 3.02 -1.26 -4.81 115.26 119.16 3kjt n ASN 272 Ca 0.17 -3.82 0.06 0.00 -0.03 0.00 0.00 54.58 50.96 3kjt n ASN 272 Cb 0.40 -0.60 0.37 0.00 -0.61 0.00 0.00 39.78 39.35 3kjt n ASN 272 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3kjt h LYS 273 N 1.20 0.69 -0.16 3.52 1.57 -1.93 -0.12 116.57 121.34 3kjt h LYS 273 Ca 0.22 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.76 3kjt h LYS 273 Cb 1.48 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.63 3kjt h LYS 273 CO 0.42 0.46 -0.68 0.93 -0.57 0.00 0.00 179.45 180.00 3kjt h GLU 274 N 0.71 0.66 -0.56 3.15 3.07 -1.95 -1.66 114.58 118.00 3kjt h GLU 274 Ca 0.28 -0.49 -0.10 0.00 -0.50 0.00 0.00 59.36 58.55 3kjt h GLU 274 Cb 0.21 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 3kjt h GLU 274 CO -0.09 1.11 -0.04 -0.07 -1.40 0.00 0.00 179.01 178.53 3kjt h LEU 275 N 0.47 1.00 -0.61 1.33 3.38 -1.77 -1.62 115.31 117.49 3kjt h LEU 275 Ca -0.02 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 3kjt h LEU 275 Cb 1.28 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 3kjt h LEU 275 CO 0.13 1.09 0.26 0.00 0.09 0.00 0.00 178.44 180.01 3kjt h ALA 276 N 0.95 0.80 -0.48 1.53 0.00 -0.96 -0.38 119.26 120.72 3kjt h ALA 276 Ca 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3kjt h ALA 276 Cb 0.60 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3kjt h ALA 276 CO 0.04 0.40 0.23 -0.22 0.00 0.00 0.00 179.25 179.69 3kjt h LYS 277 N 0.85 0.70 -0.39 0.00 3.64 -1.17 -0.53 116.57 119.67 3kjt h LYS 277 Ca 0.21 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3kjt h LYS 277 Cb 0.19 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3kjt h LYS 277 CO -0.02 0.60 0.25 1.49 -2.27 0.00 0.00 179.45 179.50 3kjt h GLU 278 N 0.64 0.49 -0.16 1.90 4.22 -0.96 0.33 114.58 121.04 3kjt h GLU 278 Ca 0.17 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.56 3kjt h GLU 278 Cb 0.13 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3kjt h GLU 278 CO -0.02 0.33 0.04 0.35 -2.18 0.00 0.00 179.01 177.53 3kjt h PHE 279 N 0.51 0.26 -0.22 0.92 3.57 -0.84 -1.41 116.94 119.72 3kjt h PHE 279 Ca 0.15 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 3kjt h PHE 279 Cb -0.03 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 3kjt h PHE 279 CO -0.06 0.38 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.21 3kjt h LEU 280 N 0.06 0.48 0.02 0.59 3.38 -0.93 -0.69 115.31 118.23 3kjt h LEU 280 Ca 0.05 -0.42 -0.20 0.00 0.09 0.00 0.00 57.88 57.40 3kjt h LEU 280 Cb 0.25 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 40.88 3kjt h LEU 280 CO -0.00 0.79 -0.81 -0.33 0.09 0.00 0.00 178.44 178.18 3kjt h GLU 281 N 0.17 0.51 -0.02 1.13 5.08 -0.99 -0.70 114.58 119.75 3kjt h GLU 281 Ca 0.05 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 3kjt h GLU 281 Cb 0.62 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3kjt h GLU 281 CO 0.03 1.21 -0.07 0.09 -1.00 0.00 0.00 179.01 179.27 3kjt n ASN 282 N -4.06 2.41 0.05 1.42 3.02 -0.53 -4.28 115.26 113.28 3kjt n ASN 282 Ca -0.11 -1.70 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 3kjt n ASN 282 Cb 0.78 0.10 0.00 0.00 -0.61 0.00 0.00 39.78 40.04 3kjt n ASN 282 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3kjt n TYR 283 N 0.83 -0.27 0.01 3.10 4.02 -0.82 -4.88 117.16 119.15 3kjt n TYR 283 Ca 0.10 0.05 -0.13 0.00 -0.01 0.00 0.00 57.90 57.91 3kjt n TYR 283 Cb 0.45 0.08 -0.10 0.00 -0.02 0.00 0.00 39.34 39.76 3kjt n TYR 283 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3kjt h LEU 284 N 0.00 -0.07 -4.98 7.72 5.85 -1.21 -3.24 115.31 119.38 3kjt h LEU 284 Ca 0.00 -0.49 -0.60 0.00 0.84 0.00 0.00 57.88 57.62 3kjt h LEU 284 Cb 0.24 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3kjt h LEU 284 CO 0.00 0.48 2.60 0.18 -0.34 0.00 0.00 178.44 181.36 3kjt n LEU 285 N -4.86 7.90 -4.19 2.25 7.99 -0.27 -2.42 117.00 123.39 3kjt n LEU 285 Ca -0.09 -4.30 -0.11 0.00 -0.01 0.00 0.00 56.01 51.50 3kjt n LEU 285 Cb 0.28 -1.46 -0.10 0.00 -0.11 0.00 0.00 43.42 42.03 3kjt n LEU 285 CO 0.31 1.99 -0.31 0.42 -1.51 0.00 0.00 177.39 178.29 3kjt s THR 286 N 0.81 0.38 0.22 -5.08 -4.23 -1.25 -4.80 115.64 101.68 3kjt s THR 286 Ca 0.65 -1.94 -0.09 0.00 -1.18 0.00 0.00 61.69 59.13 3kjt s THR 286 Cb 0.22 -2.06 0.17 0.00 1.34 0.00 0.00 72.50 72.17 3kjt s THR 286 CO -0.07 -0.49 1.87 0.44 -0.54 0.00 0.00 174.62 175.83 3kjt h ASP 287 N 2.80 0.86 -0.63 3.99 3.32 -1.91 -1.49 116.42 123.36 3kjt h ASP 287 Ca -0.36 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.60 3kjt h ASP 287 Cb 1.20 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 3kjt h ASP 287 CO 0.61 0.60 0.10 -0.33 -1.72 0.00 0.00 179.24 178.50 3kjt h GLU 288 N 1.01 1.04 -0.04 3.56 3.07 -1.91 -1.75 114.58 119.56 3kjt h GLU 288 Ca 0.30 -0.28 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 3kjt h GLU 288 Cb -0.05 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 27.74 3kjt h GLU 288 CO -0.09 0.97 -0.01 0.78 -1.40 0.00 0.00 179.01 179.26 3kjt h GLY 289 N 0.95 0.08 1.49 -3.84 0.00 -1.50 -2.52 103.07 97.74 3kjt h GLY 289 Ca 0.19 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 3kjt h GLY 289 CO 0.01 0.06 -0.04 1.41 0.00 0.00 0.00 176.54 177.98 3kjt h LEU 290 N -0.26 0.60 -0.88 3.11 3.38 -0.93 -2.49 115.31 117.84 3kjt h LEU 290 Ca 0.01 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3kjt h LEU 290 Cb 0.38 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3kjt h LEU 290 CO 0.00 0.70 0.39 -0.08 0.09 0.00 0.00 178.44 179.54 3kjt h GLU 291 N 0.58 1.20 -0.69 1.13 4.81 -1.30 0.20 114.58 120.52 3kjt h GLU 291 Ca 0.12 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3kjt h GLU 291 Cb 0.44 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 3kjt h GLU 291 CO 0.02 0.93 0.45 0.00 -0.73 0.00 0.00 179.01 179.68 3kjt h ALA 292 N 1.24 0.88 -0.15 2.92 0.00 -1.00 0.85 119.26 124.00 3kjt h ALA 292 Ca 0.28 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 3kjt h ALA 292 Cb 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3kjt h ALA 292 CO -0.03 0.26 -0.38 0.28 0.00 0.00 0.00 179.25 179.38 3kjt h VAL 293 N 0.90 1.35 -0.92 0.00 2.07 -1.24 -3.26 116.25 115.16 3kjt h VAL 293 Ca 0.26 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 66.13 3kjt h VAL 293 Cb -0.07 2.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 3kjt h VAL 293 CO -0.07 0.50 0.58 -1.13 0.02 0.00 0.00 177.57 177.47 3kjt h ASN 294 N 0.15 1.08 0.52 0.57 -1.24 -0.28 -1.39 115.58 114.98 3kjt h ASN 294 Ca -0.00 -0.05 -0.03 0.00 0.71 0.00 0.00 56.30 56.93 3kjt h ASN 294 Cb 0.99 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 39.77 3kjt h ASN 294 CO 0.08 0.80 -0.13 0.11 -1.29 0.00 0.00 177.43 177.01 3kjt h LYS 295 N 1.26 0.00 0.00 6.67 1.57 -0.91 -2.58 116.57 122.58 3kjt h LYS 295 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3kjt h LYS 295 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3kjt h LYS 295 CO -0.07 0.13 -0.04 0.22 -0.57 0.00 0.00 179.45 179.12 3kjt h ASP 296 N 0.00 0.00 -3.27 0.86 3.58 -1.40 -3.46 116.42 112.73 3kjt h ASP 296 Ca -0.00 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.95 3kjt h ASP 296 Cb 0.42 0.00 -0.39 0.00 1.72 0.00 0.00 39.33 41.08 3kjt h ASP 296 CO 0.02 0.26 -0.77 -0.75 -2.88 0.00 0.00 179.24 175.11 3kjt s LYS 297 N -1.32 0.88 0.25 0.28 2.47 -0.60 -4.99 119.74 116.71 3kjt s LYS 297 Ca -0.01 -0.26 -0.30 0.00 -1.56 0.00 0.00 55.97 53.84 3kjt s LYS 297 Cb 0.00 -1.67 -0.14 0.00 -1.46 0.00 0.00 37.83 34.56 3kjt s LYS 297 CO 0.02 -0.45 1.24 -0.35 0.16 0.00 0.00 175.35 175.96 3kjt n PRO 298 N 5.03 1.69 0.12 4.03 -0.04 -0.98 -4.13 135.00 140.73 3kjt n PRO 298 Ca -0.09 0.60 0.09 0.00 -0.04 0.00 0.00 63.50 64.05 3kjt n PRO 298 Cb 0.48 -2.14 0.02 0.00 -0.04 0.00 0.00 33.50 31.83 3kjt n PRO 298 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3kjt h LEU 299 N 3.26 0.00 0.00 1.53 3.38 -1.88 -3.49 115.31 118.11 3kjt h LEU 299 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3kjt h LEU 299 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3kjt h LEU 299 CO 0.69 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.99 3kjt n GLY 300 N 1.21 0.81 3.87 0.83 0.00 -1.26 -4.72 105.19 105.93 3kjt n GLY 300 Ca -0.01 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 3kjt n GLY 300 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kjt s ALA 301 N -2.00 3.43 0.21 4.61 0.00 -1.26 -4.99 121.76 121.76 3kjt s ALA 301 Ca 0.00 -0.18 0.07 0.00 0.00 0.00 0.00 51.96 51.85 3kjt s ALA 301 Cb 0.00 -2.61 -0.05 0.00 0.00 0.00 0.00 23.12 20.46 3kjt s ALA 301 CO 0.00 0.28 -0.13 0.14 0.00 0.00 0.00 175.76 176.05 3kjt s VAL 302 N -2.05 1.64 -0.27 0.00 -7.23 -1.26 -0.78 120.40 110.44 3kjt s VAL 302 Ca 0.50 -2.18 0.22 0.00 -1.81 0.00 0.00 61.98 58.71 3kjt s VAL 302 Cb -0.11 -2.08 0.26 0.00 0.56 0.00 0.00 36.38 35.02 3kjt s VAL 302 CO 0.24 -0.57 1.62 0.00 -0.31 0.00 0.00 175.10 176.07 3kjt h ALA 303 N 2.55 0.92 -1.85 1.32 0.00 -1.59 -3.44 119.26 117.16 3kjt h ALA 303 Ca -0.38 -0.14 -0.57 0.00 0.00 0.00 0.00 54.91 53.83 3kjt h ALA 303 Cb 1.22 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 3kjt h ALA 303 CO 0.63 0.19 0.94 -1.17 0.00 0.00 0.00 179.25 179.84 3kjt s LEU 304 N -6.32 3.77 0.17 0.00 2.96 -1.26 -1.89 118.68 116.12 3kjt s LEU 304 Ca 0.05 0.87 -0.16 0.00 -0.22 0.00 0.00 54.13 54.68 3kjt s LEU 304 Cb 0.06 -3.54 0.13 0.00 0.50 0.00 0.00 46.19 43.34 3kjt s LEU 304 CO 0.68 -1.14 1.68 0.11 -1.32 0.00 0.00 176.35 176.35 3kjt h LYS 305 N 9.18 0.05 -0.93 1.98 1.57 -1.54 -0.80 116.57 126.08 3kjt h LYS 305 Ca -0.24 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.59 3kjt h LYS 305 Cb 1.08 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.32 3kjt h LYS 305 CO 1.07 0.04 0.60 0.66 -0.57 0.00 0.00 179.45 181.25 3kjt h SER 306 N 0.05 0.98 0.65 0.86 4.64 -1.92 -1.25 113.55 117.56 3kjt h SER 306 Ca 0.22 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.27 3kjt h SER 306 Cb 0.32 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3kjt h SER 306 CO -0.41 0.65 -1.24 0.22 -0.87 0.00 0.00 176.83 175.17 3kjt h TYR 307 N 1.13 0.44 -0.59 4.77 3.20 -1.87 -3.25 116.97 120.79 3kjt h TYR 307 Ca 0.39 -0.32 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 3kjt h TYR 307 Cb 0.09 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 3kjt h TYR 307 CO -0.01 1.26 0.23 1.49 -1.64 0.00 0.00 178.16 179.48 3kjt h GLU 308 N 0.07 0.86 -0.09 1.82 4.57 -0.83 0.21 114.58 121.19 3kjt h GLU 308 Ca -0.13 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 57.88 3kjt h GLU 308 Cb 1.96 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 30.39 3kjt h GLU 308 CO 0.19 0.71 -0.07 0.93 -1.18 0.00 0.00 179.01 179.60 3kjt h GLU 309 N 0.85 0.13 0.00 1.92 5.08 -1.29 0.13 114.58 121.40 3kjt h GLU 309 Ca 0.20 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3kjt h GLU 309 Cb 0.18 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3kjt h GLU 309 CO -0.02 0.21 -0.00 1.49 -1.00 0.00 0.00 179.01 179.69 3kjt h GLU 310 N 0.13 -0.00 0.00 2.33 4.81 -1.34 -3.31 114.58 117.20 3kjt h GLU 310 Ca 0.03 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3kjt h GLU 310 Cb 0.21 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 3kjt h GLU 310 CO 0.01 0.84 -0.01 -0.07 -0.73 0.00 0.00 179.01 179.05 3kjt h LEU 311 N -0.87 0.00 0.00 1.64 3.38 -0.64 -2.63 115.31 116.19 3kjt h LEU 311 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kjt h LEU 311 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3kjt h LEU 311 CO 0.00 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.54 3kjt n ALA 312 N -2.54 1.44 0.32 1.53 0.00 0.42 -1.21 120.51 120.48 3kjt n ALA 312 Ca -0.03 -0.02 0.15 0.00 0.00 0.00 0.00 53.44 53.54 3kjt n ALA 312 Cb 0.10 -1.07 0.65 0.00 0.00 0.00 0.00 19.45 19.13 3kjt n ALA 312 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kjt h LYS 313 N 0.00 0.00 -5.48 0.00 1.57 -1.66 -3.37 116.57 107.63 3kjt h LYS 313 Ca 0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 3kjt h LYS 313 Cb 0.03 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.20 3kjt h LYS 313 CO 0.00 0.00 0.16 0.34 -0.57 0.00 0.00 179.45 179.38 3kjt s ASP 314 N -4.87 6.37 0.58 0.86 -1.08 -0.35 -4.95 116.67 113.24 3kjt s ASP 314 Ca 0.02 -0.12 0.28 0.00 -0.52 0.00 0.00 52.55 52.20 3kjt s ASP 314 Cb 0.09 -2.33 1.58 0.00 -1.46 0.00 0.00 42.92 40.80 3kjt s ASP 314 CO 0.43 -0.72 2.05 1.55 0.52 0.00 0.00 175.17 179.00 3kjt h PRO 315 N 8.72 0.00 -0.32 4.34 0.13 -1.87 -1.25 132.00 141.75 3kjt h PRO 315 Ca -0.26 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.75 3kjt h PRO 315 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 3kjt h PRO 315 CO 0.88 0.00 -0.32 0.00 -0.23 0.00 0.00 178.00 178.32 3kjt h ARG 316 N 0.00 0.69 -0.12 0.86 3.08 -1.91 -0.87 114.38 116.11 3kjt h ARG 316 Ca 0.13 -0.32 -0.23 0.00 0.07 0.00 0.00 59.98 59.63 3kjt h ARG 316 Cb 0.67 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.72 3kjt h ARG 316 CO -0.00 0.92 -0.83 0.82 -1.07 0.00 0.00 179.97 179.81 3kjt h ILE 317 N 0.59 1.28 -0.64 2.04 5.03 -1.56 -2.13 117.51 122.11 3kjt h ILE 317 Ca 0.07 -2.02 0.04 0.00 -0.12 0.00 0.00 64.86 62.82 3kjt h ILE 317 Cb 0.84 2.08 -0.05 0.00 -3.03 0.00 0.00 36.82 36.66 3kjt h ILE 317 CO 0.07 0.64 0.38 0.00 -0.68 0.00 0.00 178.15 178.56 3kjt h ALA 318 N 0.51 0.85 -0.62 1.87 0.00 -1.18 -1.46 119.26 119.23 3kjt h ALA 318 Ca -0.07 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3kjt h ALA 318 Cb 1.46 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3kjt h ALA 318 CO 0.17 0.10 0.09 0.00 0.00 0.00 0.00 179.25 179.61 3kjt h ALA 319 N 1.30 0.98 -0.27 0.00 0.00 -1.11 -1.37 119.26 118.80 3kjt h ALA 319 Ca 0.27 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3kjt h ALA 319 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3kjt h ALA 319 CO -0.14 0.64 0.17 1.15 0.00 0.00 0.00 179.25 181.07 3kjt h THR 320 N 0.95 1.05 -0.41 0.00 2.02 -0.66 -1.10 112.91 114.76 3kjt h THR 320 Ca 0.19 -0.12 -0.09 0.00 0.77 0.00 0.00 66.41 67.16 3kjt h THR 320 Cb 0.43 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3kjt h THR 320 CO 0.01 0.06 -0.12 -0.03 0.37 0.00 0.00 175.52 175.82 3kjt h MET 321 N 0.35 0.75 -0.41 6.66 -1.53 -1.13 -0.75 114.93 118.86 3kjt h MET 321 Ca 0.10 -0.25 -0.01 0.00 -3.44 0.00 0.00 59.70 56.10 3kjt h MET 321 Cb -0.03 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 30.94 3kjt h MET 321 CO -0.03 0.84 0.22 1.49 0.14 0.00 0.00 176.91 179.56 3kjt h GLU 322 N 0.67 0.58 -0.26 0.39 4.81 -0.89 -0.64 114.58 119.24 3kjt h GLU 322 Ca 0.11 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 3kjt h GLU 322 Cb 0.59 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 3kjt h GLU 322 CO 0.04 0.48 -0.32 -0.91 -0.73 0.00 0.00 179.01 177.58 3kjt h ASN 323 N 0.53 0.57 -0.69 1.04 2.35 -1.03 -2.93 115.58 115.41 3kjt h ASN 323 Ca 0.14 -0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 3kjt h ASN 323 Cb 0.08 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 3kjt h ASN 323 CO -0.02 0.85 0.22 0.00 -1.65 0.00 0.00 177.43 176.83 3kjt h ALA 324 N 1.19 0.91 0.00 -0.83 0.00 -0.70 -0.98 119.26 118.84 3kjt h ALA 324 Ca 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3kjt h ALA 324 Cb 0.78 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3kjt h ALA 324 CO 0.06 0.58 -0.10 1.96 0.00 0.00 0.00 179.25 181.75 3kjt h GLN 325 N 1.01 0.00 -0.01 0.00 4.20 -1.00 -2.13 115.11 117.19 3kjt h GLN 325 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3kjt h GLN 325 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3kjt h GLN 325 CO -0.01 0.10 -0.52 1.63 -0.67 0.00 0.00 178.83 179.36 3kjt n LYS 326 N -3.34 0.77 -1.14 1.46 5.02 -0.95 -4.99 118.16 114.99 3kjt n LYS 326 Ca -0.01 -0.58 -0.13 0.00 -2.02 0.00 0.00 58.31 55.57 3kjt n LYS 326 Cb 0.29 -1.49 0.09 0.00 -0.02 0.00 0.00 35.03 33.90 3kjt n LYS 326 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kjt n GLY 327 N 1.42 -0.62 3.39 0.72 0.00 -0.41 -4.52 105.19 105.17 3kjt n GLY 327 Ca 0.09 -1.79 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 3kjt n GLY 327 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kjt s GLU 328 N -4.17 3.50 0.22 1.61 2.12 -0.25 -4.91 118.70 116.82 3kjt s GLU 328 Ca 0.35 -0.58 -0.32 0.00 0.36 0.00 0.00 54.97 54.78 3kjt s GLU 328 Cb -0.01 -2.96 -0.12 0.00 0.26 0.00 0.00 34.13 31.30 3kjt s GLU 328 CO 0.24 0.00 1.67 0.42 -0.54 0.00 0.00 175.26 177.06 3kjt s ILE 329 N 0.97 2.13 -0.05 -3.70 1.09 -1.26 -0.07 121.20 120.30 3kjt s ILE 329 Ca 0.00 0.09 -0.30 0.00 -1.10 0.00 0.00 60.65 59.35 3kjt s ILE 329 Cb -0.15 -3.06 -0.05 0.00 -1.06 0.00 0.00 42.46 38.15 3kjt s ILE 329 CO 0.01 0.01 1.50 -0.32 -0.10 0.00 0.00 174.94 176.04 3kjt s MET 330 N 0.85 4.22 0.56 2.79 1.75 -0.77 -4.77 119.30 123.93 3kjt s MET 330 Ca 0.72 2.02 -0.21 0.00 -1.25 0.00 0.00 55.69 56.97 3kjt s MET 330 Cb -0.48 -3.79 -0.04 0.00 2.84 0.00 0.00 34.83 33.35 3kjt s MET 330 CO 0.35 -0.73 1.35 -2.14 -0.65 0.00 0.00 175.02 173.20 3kjt s PRO 331 N 3.34 3.06 -0.31 4.11 0.02 -1.26 -4.95 135.00 139.00 3kjt s PRO 331 Ca 0.67 2.20 0.08 0.00 0.02 0.00 0.00 61.00 63.97 3kjt s PRO 331 Cb -0.31 -2.19 0.49 0.00 0.02 0.00 0.00 34.50 32.51 3kjt s PRO 331 CO 0.26 -1.25 1.44 0.27 -0.33 0.00 0.00 177.00 177.39 3kjt n ASN 332 N -1.16 3.10 -4.84 2.53 6.94 -1.15 -4.56 115.26 116.11 3kjt n ASN 332 Ca 0.11 -3.80 -0.24 0.00 -0.02 0.00 0.00 54.58 50.63 3kjt n ASN 332 Cb 0.45 -0.61 -0.04 0.00 -2.36 0.00 0.00 39.78 37.22 3kjt n ASN 332 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 3kjt s ILE 333 N -3.57 4.66 0.52 1.53 -4.36 -1.11 0.39 121.20 119.27 3kjt s ILE 333 Ca 0.46 -1.15 0.19 0.00 -0.26 0.00 0.00 60.65 59.90 3kjt s ILE 333 Cb 0.41 -3.45 0.31 0.00 1.25 0.00 0.00 42.46 40.99 3kjt s ILE 333 CO -0.01 -0.22 2.09 1.55 0.24 0.00 0.00 174.94 178.60 3kjt h PRO 334 N 1.89 0.01 0.00 0.37 0.13 -1.89 -2.06 132.00 130.44 3kjt h PRO 334 Ca -0.49 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3kjt h PRO 334 Cb 1.22 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3kjt h PRO 334 CO 0.63 0.01 0.00 1.96 -0.23 0.00 0.00 178.00 180.36 3kjt h GLN 335 N 0.01 0.00 0.00 0.86 7.50 -1.95 -2.29 115.11 119.24 3kjt h GLN 335 Ca 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.22 3kjt h GLN 335 Cb 0.35 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.88 3kjt h GLN 335 CO -0.00 0.00 -0.09 0.52 -1.50 0.00 0.00 178.83 177.76 3kjt h MET 336 N 0.00 0.00 -0.44 1.46 2.86 -1.73 -2.06 114.93 115.02 3kjt h MET 336 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kjt h MET 336 Cb 0.12 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 3kjt h MET 336 CO 0.00 0.09 0.26 0.66 1.06 0.00 0.00 176.91 178.98 3kjt h SER 337 N 0.00 0.54 -0.71 1.22 4.64 -1.63 -1.31 113.55 116.30 3kjt h SER 337 Ca -0.00 -0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 61.21 3kjt h SER 337 Cb 0.31 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 3kjt h SER 337 CO 0.01 0.45 0.28 0.00 -0.87 0.00 0.00 176.83 176.70 3kjt h ALA 338 N 1.11 1.12 0.18 5.18 0.00 -1.58 -3.02 119.26 122.25 3kjt h ALA 338 Ca 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3kjt h ALA 338 Cb 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3kjt h ALA 338 CO -0.03 0.62 -0.08 0.35 0.00 0.00 0.00 179.25 180.11 3kjt h PHE 339 N 1.06 -0.22 -0.25 0.00 3.04 -1.15 -1.42 116.94 117.99 3kjt h PHE 339 Ca 0.24 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.24 3kjt h PHE 339 Cb 0.22 0.07 -0.05 0.00 2.56 0.00 0.00 35.95 38.75 3kjt h PHE 339 CO 0.02 -0.05 -0.10 -1.49 -2.02 0.00 0.00 178.31 174.67 3kjt h TRP 340 N -0.34 -0.23 -0.37 0.41 -0.00 -1.18 -0.19 115.95 114.04 3kjt h TRP 340 Ca -0.02 0.03 -0.15 0.00 -0.00 0.00 0.00 58.89 58.74 3kjt h TRP 340 Cb 0.27 0.14 -0.01 0.00 -0.00 0.00 0.00 29.16 29.56 3kjt h TRP 340 CO -0.03 -0.16 -0.36 1.88 -0.00 0.00 0.00 178.44 179.77 3kjt h TYR 341 N -0.06 1.03 -0.21 0.49 0.05 -1.55 -1.27 116.97 115.45 3kjt h TYR 341 Ca 0.13 -0.30 -0.04 0.00 0.05 0.00 0.00 58.73 58.57 3kjt h TYR 341 Cb 0.25 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 3kjt h TYR 341 CO -0.28 1.09 -0.04 0.00 -1.05 0.00 0.00 178.16 177.88 3kjt h ALA 342 N 0.87 0.29 -0.30 3.88 0.00 -1.01 -2.25 119.26 120.74 3kjt h ALA 342 Ca 0.07 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 3kjt h ALA 342 Cb 0.93 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3kjt h ALA 342 CO 0.09 0.05 -0.33 0.28 0.00 0.00 0.00 179.25 179.34 3kjt h VAL 343 N 0.13 1.28 -0.33 0.00 2.07 -1.07 -1.62 116.25 116.71 3kjt h VAL 343 Ca 0.05 -1.46 0.02 0.00 0.82 0.00 0.00 66.70 66.13 3kjt h VAL 343 Cb 0.48 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3kjt h VAL 343 CO 0.02 0.47 0.19 -0.09 0.02 0.00 0.00 177.57 178.18 3kjt h ARG 344 N 0.55 0.37 -0.64 1.57 2.43 -1.17 -0.61 114.38 116.88 3kjt h ARG 344 Ca 0.06 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3kjt h ARG 344 Cb 0.83 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.26 3kjt h ARG 344 CO 0.07 0.25 0.32 1.15 -1.51 0.00 0.00 179.97 180.25 3kjt h THR 345 N 0.38 1.21 -0.27 0.20 2.02 -1.25 -2.14 112.91 113.07 3kjt h THR 345 Ca 0.13 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 3kjt h THR 345 Cb 0.01 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3kjt h THR 345 CO -0.07 0.24 0.17 0.00 0.37 0.00 0.00 175.52 176.24 3kjt h ALA 346 N 1.15 0.35 -0.46 6.16 0.00 -0.76 -0.65 119.26 125.04 3kjt h ALA 346 Ca 0.22 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3kjt h ALA 346 Cb 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3kjt h ALA 346 CO -0.03 -0.15 0.05 0.28 0.00 0.00 0.00 179.25 179.39 3kjt h VAL 347 N 0.35 1.25 -0.39 0.00 2.07 -1.02 -0.77 116.25 117.74 3kjt h VAL 347 Ca 0.10 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 3kjt h VAL 347 Cb 0.00 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3kjt h VAL 347 CO -0.02 0.34 0.20 0.40 0.02 0.00 0.00 177.57 178.51 3kjt h ILE 348 N 0.64 1.16 -0.23 4.57 1.08 -1.27 -1.06 117.51 122.41 3kjt h ILE 348 Ca 0.14 -0.44 -0.09 0.00 -0.39 0.00 0.00 64.86 64.08 3kjt h ILE 348 Cb 0.43 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 3kjt h ILE 348 CO 0.01 0.17 -0.23 0.78 -0.69 0.00 0.00 178.15 178.19 3kjt h ASN 349 N 0.50 0.41 -0.03 1.72 2.35 -0.97 -1.43 115.58 118.14 3kjt h ASN 349 Ca 0.14 -0.13 -0.22 0.00 -0.55 0.00 0.00 56.30 55.53 3kjt h ASN 349 Cb 0.09 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.36 3kjt h ASN 349 CO -0.02 0.65 -0.82 0.00 -1.65 0.00 0.00 177.43 175.59 3kjt h ALA 350 N 1.38 0.34 -0.02 -0.83 0.00 -0.94 -1.44 119.26 117.75 3kjt h ALA 350 Ca 0.06 -0.62 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 3kjt h ALA 350 Cb 0.62 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3kjt h ALA 350 CO 0.04 0.71 -0.50 0.00 0.00 0.00 0.00 179.25 179.50 3kjt h ALA 351 N 0.61 1.14 0.00 0.00 0.00 -1.04 -2.96 119.26 117.01 3kjt h ALA 351 Ca -0.06 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3kjt h ALA 351 Cb 1.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3kjt h ALA 351 CO 0.16 0.63 -0.39 -1.13 0.00 0.00 0.00 179.25 178.52 3kjt n SER 352 N -3.95 0.63 0.00 0.00 3.41 -0.55 -4.83 113.62 108.33 3kjt n SER 352 Ca -0.02 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 3kjt n SER 352 Cb 0.52 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 3kjt n SER 352 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kjt n GLY 353 N 1.37 0.83 0.25 5.00 0.00 -0.98 -4.91 105.19 106.75 3kjt n GLY 353 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.17 3kjt n GLY 353 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3kjt h ARG 354 N 3.76 0.00 -3.34 1.61 2.43 -1.57 -3.43 114.38 113.84 3kjt h ARG 354 Ca 0.00 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 3kjt h ARG 354 Cb 0.00 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 29.34 3kjt h ARG 354 CO 0.00 0.16 -0.42 -1.14 -1.51 0.00 0.00 179.97 177.05 3kjt s GLN 355 N -4.29 0.52 0.73 0.20 0.74 -0.81 -5.02 119.66 111.73 3kjt s GLN 355 Ca -0.03 -0.27 -0.11 0.00 0.05 0.00 0.00 55.36 55.00 3kjt s GLN 355 Cb 0.14 0.22 0.03 0.00 1.10 0.00 0.00 33.01 34.50 3kjt s GLN 355 CO 0.62 -0.13 1.07 0.95 -0.55 0.00 0.00 175.29 177.26 3kjt s THR 356 N -1.22 3.72 0.13 -0.34 -4.23 -1.26 -4.04 115.64 108.39 3kjt s THR 356 Ca -0.13 0.56 -0.19 0.00 -1.18 0.00 0.00 61.69 60.75 3kjt s THR 356 Cb -0.06 -3.29 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 3kjt s THR 356 CO 0.02 -0.73 1.75 0.58 -0.54 0.00 0.00 174.62 175.71 3kjt h VAL 357 N -0.85 0.96 -0.54 2.29 2.07 -1.95 0.40 116.25 118.64 3kjt h VAL 357 Ca -0.45 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.04 3kjt h VAL 357 Cb 1.23 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 3kjt h VAL 357 CO 0.57 0.04 0.28 -0.78 0.02 0.00 0.00 177.57 177.70 3kjt h ASP 358 N 0.21 0.42 0.27 0.57 1.82 -1.95 -1.52 116.42 116.24 3kjt h ASP 358 Ca 0.10 0.02 -0.21 0.00 -0.39 0.00 0.00 57.03 56.56 3kjt h ASP 358 Cb 0.06 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.01 3kjt h ASP 358 CO -0.09 0.29 -0.84 -0.33 -1.61 0.00 0.00 179.24 176.65 3kjt h GLU 359 N 0.55 0.44 -0.11 0.28 5.08 -1.90 -1.82 114.58 117.10 3kjt h GLU 359 Ca 0.23 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3kjt h GLU 359 Cb 0.12 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3kjt h GLU 359 CO -0.15 1.06 0.07 0.00 -1.00 0.00 0.00 179.01 178.99 3kjt h ALA 360 N 0.81 0.14 -0.14 3.43 0.00 -0.63 -1.46 119.26 121.41 3kjt h ALA 360 Ca -0.06 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 3kjt h ALA 360 Cb 1.45 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3kjt h ALA 360 CO 0.15 -0.36 -0.57 -0.07 0.00 0.00 0.00 179.25 178.40 3kjt h LEU 361 N 0.14 0.48 -0.67 0.00 3.38 -1.33 -2.32 115.31 114.99 3kjt h LEU 361 Ca 0.04 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 3kjt h LEU 361 Cb -0.00 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3kjt h LEU 361 CO -0.01 0.94 0.26 0.50 0.09 0.00 0.00 178.44 180.23 3kjt h LYS 362 N 0.33 1.01 -0.58 1.13 3.64 -1.16 -0.02 116.57 120.92 3kjt h LYS 362 Ca 0.00 -0.19 -0.09 0.00 -1.27 0.00 0.00 60.65 59.11 3kjt h LYS 362 Cb 1.09 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 3kjt h LYS 362 CO 0.10 0.85 0.01 -0.44 -2.27 0.00 0.00 179.45 177.70 3kjt h ASP 363 N 0.96 0.99 -0.24 4.20 3.32 -1.18 -1.06 116.42 123.40 3kjt h ASP 363 Ca 0.22 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 3kjt h ASP 363 Cb 0.22 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3kjt h ASP 363 CO -0.02 1.05 0.09 0.00 -1.72 0.00 0.00 179.24 178.64 3kjt h ALA 364 N 0.98 0.32 -0.18 3.45 0.00 -1.12 -1.52 119.26 121.19 3kjt h ALA 364 Ca 0.17 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3kjt h ALA 364 Cb 0.54 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3kjt h ALA 364 CO 0.03 -0.07 -0.06 0.37 0.00 0.00 0.00 179.25 179.52 3kjt h GLN 365 N 0.24 -0.02 -0.39 0.00 5.75 -0.86 -0.82 115.11 119.01 3kjt h GLN 365 Ca 0.08 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 3kjt h GLN 365 Cb 0.20 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 3kjt h GLN 365 CO -0.01 -0.01 0.14 1.15 -2.65 0.00 0.00 178.83 177.45 3kjt h THR 366 N -0.02 1.16 -0.28 2.39 2.02 -1.09 -1.91 112.91 115.18 3kjt h THR 366 Ca 0.09 -0.50 -0.19 0.00 0.77 0.00 0.00 66.41 66.58 3kjt h THR 366 Cb 0.15 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3kjt h THR 366 CO -0.19 0.19 -0.56 -0.09 0.37 0.00 0.00 175.52 175.24 3kjt h ARG 367 N 0.55 0.87 -0.33 6.66 2.43 -0.73 -2.78 114.38 121.05 3kjt h ARG 367 Ca 0.13 -0.56 -0.11 0.00 -0.81 0.00 0.00 59.98 58.63 3kjt h ARG 367 Cb 0.13 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3kjt h ARG 367 CO -0.01 1.19 -0.22 0.82 -1.51 0.00 0.00 179.97 180.24 3kjt h ILE 368 N 0.66 1.29 -0.00 1.20 1.08 -0.76 -3.06 117.51 117.92 3kjt h ILE 368 Ca 0.01 -1.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.12 3kjt h ILE 368 Cb 1.17 1.45 0.00 0.00 -3.07 0.00 0.00 36.82 36.37 3kjt h ILE 368 CO 0.12 0.44 -0.04 0.35 -0.69 0.00 0.00 178.15 178.34 3kjt n THR 369 N -4.29 0.00 0.00 -0.27 -2.24 -0.75 -4.97 114.28 101.76 3kjt n THR 369 Ca -0.03 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3kjt n THR 369 Cb 0.43 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 3kjt n THR 369 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79