#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i27 s PRO 17 N 0.00 3.00 0.19 -0.78 0.02 -1.26 -4.55 135.00 131.61 3i27 s PRO 17 Ca 0.00 1.64 0.06 0.00 0.02 0.00 0.00 61.00 62.72 3i27 s PRO 17 Cb 0.00 -1.95 -0.05 0.00 0.02 0.00 0.00 34.50 32.52 3i27 s PRO 17 CO 0.00 -1.14 -0.10 0.14 -0.33 0.00 0.00 177.00 175.57 3i27 s VAL 18 N -1.86 1.39 -0.06 3.83 -7.23 -0.47 -4.99 120.40 111.02 3i27 s VAL 18 Ca 0.73 -2.12 0.02 0.00 -1.81 0.00 0.00 61.98 58.80 3i27 s VAL 18 Cb -0.26 -2.03 0.02 0.00 0.56 0.00 0.00 36.38 34.67 3i27 s VAL 18 CO 0.34 -0.61 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.54 3i27 s THR 19 N -3.19 0.89 0.26 5.32 2.01 -1.26 -0.61 115.64 119.06 3i27 s THR 19 Ca 0.21 -0.34 -0.31 0.00 0.31 0.00 0.00 61.69 61.56 3i27 s THR 19 Cb 0.02 -0.84 -0.13 0.00 0.01 0.00 0.00 72.50 71.56 3i27 s THR 19 CO 0.05 0.30 1.50 -2.65 -0.69 0.00 0.00 174.62 173.13 3i27 n PRO 20 N 3.87 2.33 -3.28 4.92 -0.02 -1.26 -4.80 135.00 136.77 3i27 n PRO 20 Ca -0.24 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 3i27 n PRO 20 Cb 0.51 -2.55 -0.08 0.00 -0.02 0.00 0.00 33.50 31.36 3i27 n PRO 20 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3i27 s TYR 21 N 0.03 3.16 -0.16 6.00 6.14 -0.01 -4.81 117.35 127.71 3i27 s TYR 21 Ca 0.67 -0.08 -0.29 0.00 0.64 0.00 0.00 57.07 58.01 3i27 s TYR 21 Cb -0.58 -2.93 -0.04 0.00 0.42 0.00 0.00 41.96 38.82 3i27 s TYR 21 CO 0.48 -0.62 1.80 -0.47 0.64 0.00 0.00 175.55 177.38 3i27 s TYR 22 N 2.30 1.76 0.00 4.97 6.14 -1.24 -1.87 117.35 129.42 3i27 s TYR 22 Ca 0.16 0.32 0.00 0.00 0.64 0.00 0.00 57.07 58.19 3i27 s TYR 22 Cb -0.16 -4.02 0.00 0.00 0.42 0.00 0.00 41.96 38.20 3i27 s TYR 22 CO 0.14 -3.73 0.00 0.41 0.64 0.00 0.00 175.55 173.01 3i27 n GLY 23 N 4.80 3.21 3.60 8.97 0.00 -1.26 -4.31 105.19 120.20 3i27 n GLY 23 Ca 0.21 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 3i27 n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i27 s PRO 24 N -2.07 -0.44 0.21 1.61 0.04 -1.25 -4.14 135.00 128.95 3i27 s PRO 24 Ca 0.00 0.41 -0.22 0.00 0.04 0.00 0.00 61.00 61.23 3i27 s PRO 24 Cb 0.00 -1.64 0.07 0.00 0.04 0.00 0.00 34.50 32.96 3i27 s PRO 24 CO 0.00 -3.29 0.98 0.20 0.04 0.00 0.00 177.00 174.93 3i27 s GLY 25 N -3.34 0.06 -0.06 0.56 0.00 -1.26 -3.20 107.32 100.08 3i27 s GLY 25 Ca 0.67 -0.28 -0.11 0.00 0.00 0.00 0.00 44.72 45.01 3i27 s GLY 25 CO 0.59 1.42 0.26 -2.38 0.00 0.00 0.00 173.10 172.99 3i27 s HIS 26 N -2.48 -0.21 -0.15 1.90 -3.43 -1.26 -4.94 115.29 104.72 3i27 s HIS 26 Ca 0.18 0.46 -0.00 0.00 -0.80 0.00 0.00 55.06 54.90 3i27 s HIS 26 Cb -0.03 0.07 -0.23 0.00 -1.43 0.00 0.00 32.58 30.96 3i27 s HIS 26 CO 0.05 -0.24 0.24 -0.89 -2.00 0.00 0.00 174.74 171.91 3i27 n ILE 27 N 2.22 1.66 -4.14 -5.38 5.41 -1.26 -4.27 119.36 113.60 3i27 n ILE 27 Ca -0.17 -0.67 -0.26 0.00 1.00 0.00 0.00 62.75 62.65 3i27 n ILE 27 Cb 0.57 -1.48 -0.06 0.00 -0.71 0.00 0.00 39.64 37.96 3i27 n ILE 27 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3i27 s THR 28 N -2.55 2.04 -0.45 1.39 -4.23 -1.26 -4.86 115.64 105.71 3i27 s THR 28 Ca -0.22 -1.68 0.23 0.00 -1.18 0.00 0.00 61.69 58.84 3i27 s THR 28 Cb 0.07 -2.72 0.24 0.00 1.34 0.00 0.00 72.50 71.43 3i27 s THR 28 CO 0.74 0.00 1.70 2.22 -0.54 0.00 0.00 174.62 178.73 3i27 n PHE 29 N -1.36 0.78 -2.97 3.99 -1.74 -1.26 -4.41 117.46 110.50 3i27 n PHE 29 Ca -0.03 0.32 -0.43 0.00 -0.56 0.00 0.00 57.45 56.75 3i27 n PHE 29 Cb 0.65 -1.02 0.01 0.00 1.52 0.00 0.00 39.48 40.64 3i27 n PHE 29 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 3i27 n ASP 30 N -2.22 6.12 -4.21 5.98 2.03 -1.26 -4.95 116.55 118.03 3i27 n ASP 30 Ca 0.02 -3.32 -0.13 0.00 0.52 0.00 0.00 54.79 51.88 3i27 n ASP 30 Cb 0.20 -1.32 -0.10 0.00 -0.72 0.00 0.00 41.12 39.18 3i27 n ASP 30 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 3i27 s TRP 31 N -2.10 1.11 0.15 -0.67 1.48 -1.26 -1.82 118.94 115.82 3i27 s TRP 31 Ca 0.32 -0.77 -0.12 0.00 -1.06 0.00 0.00 56.10 54.47 3i27 s TRP 31 Cb 0.03 -0.59 0.01 0.00 -1.16 0.00 0.00 33.47 31.76 3i27 s TRP 31 CO 0.07 -0.00 0.34 0.00 -4.06 0.00 0.00 176.95 173.29 3i27 s GLY 33 N -2.89 0.94 -0.10 0.00 0.00 -0.29 -0.96 107.32 104.02 3i27 s GLY 33 Ca 0.10 -1.03 0.03 0.00 0.00 0.00 0.00 44.72 43.82 3i27 s GLY 33 CO -0.05 -1.05 -0.19 -1.36 0.00 0.00 0.00 173.10 170.45 3i27 s PHE 34 N -1.18 2.15 0.00 1.90 0.08 -0.33 -0.41 117.98 120.19 3i27 s PHE 34 Ca 0.01 -0.91 0.00 0.00 0.12 0.00 0.00 56.93 56.14 3i27 s PHE 34 Cb -0.10 -1.49 0.00 0.00 -0.57 0.00 0.00 43.02 40.86 3i27 s PHE 34 CO 0.03 -0.41 0.00 0.41 -0.10 0.00 0.00 175.22 175.14 3i27 n GLY 35 N 3.79 3.50 0.00 4.36 0.00 -0.33 -0.45 105.19 116.06 3i27 n GLY 35 Ca -0.20 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3i27 n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i27 n ASP 36 N -0.06 0.04 -0.18 1.61 3.85 -1.24 -3.29 116.55 117.27 3i27 n ASP 36 Ca 0.00 0.00 0.15 0.00 -0.71 0.00 0.00 54.79 54.23 3i27 n ASP 36 Cb 0.00 0.00 0.49 0.00 -1.35 0.00 0.00 41.12 40.26 3i27 n ASP 36 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 3i27 h SER 37 N 0.00 0.42 0.00 -1.12 4.64 -1.88 -1.64 113.55 113.98 3i27 h SER 37 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3i27 h SER 37 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3i27 h SER 37 CO 0.00 0.21 0.00 0.54 -0.87 0.00 0.00 176.83 176.71 3i27 n ARG 38 N -4.49 0.63 -1.08 4.77 1.74 -1.26 -2.42 116.66 114.55 3i27 n ARG 38 Ca 0.15 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.25 3i27 n ARG 38 Cb 0.54 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.52 3i27 n ARG 38 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3i27 n SER 39 N -0.97 0.48 -4.20 0.55 3.41 -0.64 -0.82 113.62 111.44 3i27 n SER 39 Ca 0.14 -1.96 -0.39 0.00 -0.26 0.00 0.00 58.87 56.40 3i27 n SER 39 Cb 0.07 -0.21 -0.10 0.00 -0.26 0.00 0.00 64.21 63.70 3i27 n SER 39 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i27 s ASP 40 N -1.51 5.52 0.00 4.04 -1.08 -1.02 -4.75 116.67 117.87 3i27 s ASP 40 Ca 0.19 -1.83 0.21 0.00 -0.52 0.00 0.00 52.55 50.60 3i27 s ASP 40 Cb 0.21 -1.94 0.98 0.00 -1.46 0.00 0.00 42.92 40.72 3i27 s ASP 40 CO -0.09 -0.59 1.67 0.00 0.52 0.00 0.00 175.17 176.67 3i27 n THR 42 N -1.38 0.44 -1.70 0.00 -2.24 -1.26 -4.80 114.28 103.34 3i27 n THR 42 Ca 0.08 -0.23 -0.44 0.00 -2.27 0.00 0.00 64.05 61.19 3i27 n THR 42 Cb 0.20 -0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 67.94 3i27 n THR 42 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3i27 n ASN 43 N -2.09 3.41 0.30 3.42 2.85 -0.80 -4.87 115.26 117.48 3i27 n ASN 43 Ca 0.05 1.10 0.17 0.00 -0.11 0.00 0.00 54.58 55.80 3i27 n ASN 43 Cb 0.41 -1.50 0.96 0.00 1.24 0.00 0.00 39.78 40.90 3i27 n ASN 43 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3i27 h PRO 44 N 5.52 0.00 -0.01 1.20 0.11 -1.90 -0.15 132.00 136.76 3i27 h PRO 44 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i27 h PRO 44 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3i27 h PRO 44 CO 0.86 0.00 -0.01 1.04 -0.21 0.00 0.00 178.00 179.68 3i27 n GLN 45 N -3.69 1.54 -2.05 1.05 1.13 -1.26 -4.93 117.38 109.17 3i27 n GLN 45 Ca -0.02 -0.82 -0.41 0.00 -1.94 0.00 0.00 57.00 53.81 3i27 n GLN 45 Cb 0.11 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 28.96 3i27 n GLN 45 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3i27 s SER 46 N -2.02 6.69 0.00 1.08 0.15 -0.07 -1.68 113.70 117.84 3i27 s SER 46 Ca 0.39 2.74 0.28 0.00 0.70 0.00 0.00 55.95 60.06 3i27 s SER 46 Cb 0.21 -2.65 1.03 0.00 -1.71 0.00 0.00 66.02 62.90 3i27 s SER 46 CO 0.35 -0.61 1.73 -0.81 1.20 0.00 0.00 173.24 175.10 3i27 n PRO 47 N 0.97 0.93 0.24 5.44 -0.04 -1.26 -4.88 135.00 136.39 3i27 n PRO 47 Ca 0.01 -0.46 0.08 0.00 -0.04 0.00 0.00 63.50 63.10 3i27 n PRO 47 Cb 0.41 -1.49 0.59 0.00 -0.04 0.00 0.00 33.50 32.97 3i27 n PRO 47 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 3i27 h MET 48 N 1.12 0.00 -0.02 0.54 2.86 -1.69 -2.54 114.93 115.19 3i27 h MET 48 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3i27 h MET 48 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 3i27 h MET 48 CO 0.00 0.18 0.00 -1.13 1.06 0.00 0.00 176.91 177.02 3i27 n SER 49 N -3.97 1.42 -4.84 1.22 3.41 -1.07 -2.03 113.62 107.75 3i27 n SER 49 Ca -0.02 -1.48 -0.35 0.00 -0.26 0.00 0.00 58.87 56.76 3i27 n SER 49 Cb 0.26 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.15 3i27 n SER 49 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3i27 s LEU 50 N -1.98 4.30 0.00 1.04 1.43 -0.96 -4.27 118.68 118.24 3i27 s LEU 50 Ca 0.38 1.20 0.17 0.00 -1.03 0.00 0.00 54.13 54.85 3i27 s LEU 50 Cb 0.21 -3.48 -0.05 0.00 0.03 0.00 0.00 46.19 42.90 3i27 s LEU 50 CO 0.33 0.04 0.84 0.47 0.23 0.00 0.00 176.35 178.26 3i27 n ASP 51 N 0.60 1.44 -4.63 2.29 8.00 0.00 -4.28 116.55 119.98 3i27 n ASP 51 Ca -0.03 -1.22 -0.24 0.00 0.71 0.00 0.00 54.79 54.01 3i27 n ASP 51 Cb 0.52 0.61 -0.08 0.00 -0.02 0.00 0.00 41.12 42.16 3i27 n ASP 51 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3i27 s ILE 52 N -2.14 3.43 0.26 0.53 -4.36 -1.23 -3.62 121.20 114.07 3i27 s ILE 52 Ca 0.12 -1.84 -0.30 0.00 -0.26 0.00 0.00 60.65 58.37 3i27 s ILE 52 Cb 0.13 -2.81 -0.11 0.00 1.25 0.00 0.00 42.46 40.93 3i27 s ILE 52 CO 0.50 -0.31 1.57 -2.84 0.24 0.00 0.00 174.94 174.09 3i27 s PRO 53 N -3.49 4.17 0.43 0.37 0.02 -1.26 -4.87 135.00 130.37 3i27 s PRO 53 Ca 0.30 2.49 0.13 0.00 0.02 0.00 0.00 61.00 63.94 3i27 s PRO 53 Cb -0.07 -3.06 1.00 0.00 0.02 0.00 0.00 34.50 32.38 3i27 s PRO 53 CO 0.19 -0.59 1.99 0.37 -0.33 0.00 0.00 177.00 178.63 3i27 h GLN 54 N 5.33 0.43 0.00 5.54 4.15 -1.98 -0.20 115.11 128.37 3i27 h GLN 54 Ca -0.46 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.94 3i27 h GLN 54 Cb 1.22 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.81 3i27 h GLN 54 CO 0.82 0.28 0.00 -0.56 -1.93 0.00 0.00 178.83 177.44 3i27 h GLN 55 N 0.44 0.00 -0.01 1.69 -0.00 -2.05 -2.13 115.11 113.05 3i27 h GLN 55 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.91 3i27 h GLN 55 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.93 3i27 h GLN 55 CO -0.07 0.00 -0.05 1.28 -0.00 0.00 0.00 178.83 179.99 3i27 n LEU 56 N -2.43 1.51 -0.35 0.06 4.77 -0.09 -4.39 117.00 116.08 3i27 n LEU 56 Ca 0.02 -0.49 0.13 0.00 -0.03 0.00 0.00 56.01 55.64 3i27 n LEU 56 Cb 0.27 -0.02 0.33 0.00 -2.33 0.00 0.00 43.42 41.67 3i27 n LEU 56 CO 0.22 0.26 1.20 0.00 -1.33 0.00 0.00 177.39 177.74 3i27 n PRO 58 N -4.75 0.14 0.12 0.00 -0.02 -1.26 -1.92 135.00 127.31 3i27 n PRO 58 Ca 0.23 0.44 0.12 0.00 -2.02 0.00 0.00 63.50 62.27 3i27 n PRO 58 Cb 0.58 -1.80 0.28 0.00 -0.02 0.00 0.00 33.50 32.53 3i27 n PRO 58 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3i27 h LYS 59 N 0.00 0.00 -5.85 -0.52 1.79 -1.46 -3.46 116.57 107.07 3i27 h LYS 59 Ca 0.00 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.82 3i27 h LYS 59 Cb 0.26 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.83 3i27 h LYS 59 CO 0.00 0.00 -0.52 -0.06 -1.08 0.00 0.00 179.45 177.79 3i27 s PHE 60 N -3.16 3.45 -0.40 -1.35 0.40 -0.81 -1.14 117.98 114.97 3i27 s PHE 60 Ca 0.08 0.33 -0.10 0.00 -0.60 0.00 0.00 56.93 56.64 3i27 s PHE 60 Cb 0.11 -1.82 0.06 0.00 0.51 0.00 0.00 43.02 41.88 3i27 s PHE 60 CO 0.65 0.62 0.24 0.45 0.70 0.00 0.00 175.22 177.89 3i27 s SER 61 N -1.65 5.69 0.00 1.36 0.15 0.45 -4.93 113.70 114.77 3i27 s SER 61 Ca 0.23 -1.29 -0.15 0.00 0.70 0.00 0.00 55.95 55.44 3i27 s SER 61 Cb -0.12 -2.01 0.02 0.00 -1.71 0.00 0.00 66.02 62.20 3i27 s SER 61 CO 0.14 -0.48 0.31 -0.44 1.20 0.00 0.00 173.24 173.97 3i27 s SER 62 N 1.91 -0.17 -0.14 5.45 0.01 -1.26 -1.18 113.70 118.31 3i27 s SER 62 Ca 0.02 -0.00 -0.08 0.00 1.31 0.00 0.00 55.95 57.20 3i27 s SER 62 Cb -0.22 0.33 0.05 0.00 0.21 0.00 0.00 66.02 66.39 3i27 s SER 62 CO 0.04 -0.50 0.35 -0.75 0.41 0.00 0.00 173.24 172.78 3i27 s LYS 63 N -1.73 0.34 0.10 12.44 2.47 -1.21 -4.82 119.74 127.33 3i27 s LYS 63 Ca -0.11 0.66 -0.35 0.00 -1.56 0.00 0.00 55.97 54.61 3i27 s LYS 63 Cb -0.04 -0.02 -0.15 0.00 -1.46 0.00 0.00 37.83 36.16 3i27 s LYS 63 CO 0.02 -0.14 1.49 0.43 0.16 0.00 0.00 175.35 177.31 3i27 n SER 64 N 4.04 2.44 0.00 1.43 7.64 -1.26 -2.25 113.62 125.65 3i27 n SER 64 Ca -0.22 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.75 3i27 n SER 64 Cb 0.55 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 3i27 n SER 64 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3i27 n SER 65 N 3.24 -0.24 -4.97 6.43 7.64 -1.26 -4.82 113.62 119.63 3i27 n SER 65 Ca 0.18 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.88 3i27 n SER 65 Cb 0.24 -0.21 -0.00 0.00 -1.01 0.00 0.00 64.21 63.23 3i27 n SER 65 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3i27 s SER 66 N -2.86 5.53 0.11 6.43 0.15 -0.95 -4.44 113.70 117.67 3i27 s SER 66 Ca 0.00 -0.48 -0.08 0.00 0.70 0.00 0.00 55.95 56.09 3i27 s SER 66 Cb 0.00 -0.71 -0.01 0.00 -1.71 0.00 0.00 66.02 63.60 3i27 s SER 66 CO 0.00 -0.69 0.20 -0.94 1.20 0.00 0.00 173.24 173.02 3i27 s SER 67 N -4.27 0.12 0.25 5.45 1.04 -1.26 -4.59 113.70 110.45 3i27 s SER 67 Ca 0.52 -0.76 -0.03 0.00 0.48 0.00 0.00 55.95 56.16 3i27 s SER 67 Cb -0.08 0.36 0.31 0.00 0.10 0.00 0.00 66.02 66.71 3i27 s SER 67 CO 0.31 -0.78 1.75 0.24 0.98 0.00 0.00 173.24 175.75 3i27 h MET 68 N 2.70 0.83 0.25 4.02 0.00 -1.94 -0.06 114.93 120.73 3i27 h MET 68 Ca -0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 59.70 59.13 3i27 h MET 68 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 31.60 32.71 3i27 h MET 68 CO 0.54 0.82 -0.12 0.35 0.00 0.00 0.00 176.91 178.50 3i27 h PHE 69 N 0.77 -0.32 -0.74 -0.22 3.57 -1.97 -2.34 116.94 115.70 3i27 h PHE 69 Ca 0.15 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.65 3i27 h PHE 69 Cb 0.45 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 3i27 h PHE 69 CO 0.02 -0.08 0.49 1.25 -2.23 0.00 0.00 178.31 177.76 3i27 h LEU 70 N -0.50 0.84 -1.23 0.59 6.46 -1.93 -2.15 115.31 117.38 3i27 h LEU 70 Ca -0.03 -0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.64 3i27 h LEU 70 Cb 0.37 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 3i27 h LEU 70 CO 0.06 0.60 -0.32 0.28 -0.62 0.00 0.00 178.44 178.44 3i27 h SER 71 N 0.99 0.00 -0.02 1.25 0.02 -1.01 -0.52 113.55 114.26 3i27 h SER 71 Ca 0.27 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 3i27 h SER 71 Cb -0.10 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 3i27 h SER 71 CO -0.06 0.32 0.01 0.25 -1.14 0.00 0.00 176.83 176.21 3i27 h LEU 72 N 0.00 0.03 0.00 5.07 5.85 -0.82 -3.33 115.31 122.11 3i27 h LEU 72 Ca -0.00 -0.05 -0.24 0.00 0.84 0.00 0.00 57.88 58.43 3i27 h LEU 72 Cb 0.71 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 3i27 h LEU 72 CO 0.04 0.06 -1.28 0.45 -0.34 0.00 0.00 178.44 177.37 3i27 h HIS 73 N -0.02 0.01 -4.27 1.25 3.86 -1.32 -3.42 115.15 111.24 3i27 h HIS 73 Ca 0.01 -0.01 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 3i27 h HIS 73 Cb 0.04 -0.00 -0.28 0.00 1.06 0.00 0.00 27.41 28.23 3i27 h HIS 73 CO -0.06 1.01 -0.83 -1.58 0.86 0.00 0.00 177.93 177.32 3i27 s TRP 74 N -2.66 1.63 0.00 2.45 0.51 -0.23 -0.51 118.94 120.13 3i27 s TRP 74 Ca -0.01 -0.33 0.00 0.00 -2.12 0.00 0.00 56.10 53.64 3i27 s TRP 74 Cb 0.09 -1.02 0.00 0.00 -0.81 0.00 0.00 33.47 31.73 3i27 s TRP 74 CO 0.82 0.01 0.00 0.09 -0.51 0.00 0.00 176.95 177.36 3i27 n ASN 75 N 2.38 0.00 -4.70 2.95 3.02 -1.26 -4.46 115.26 113.19 3i27 n ASN 75 Ca -0.16 -0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 53.82 3i27 n ASN 75 Cb 0.54 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.68 3i27 n ASN 75 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3i27 s ASN 76 N -1.00 7.17 0.28 6.41 0.01 -1.26 -4.44 114.94 122.10 3i27 s ASN 76 Ca 0.00 1.81 0.03 0.00 -0.71 0.00 0.00 52.86 54.00 3i27 s ASN 76 Cb 0.00 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 3i27 s ASN 76 CO 0.00 -0.44 0.19 -1.00 -1.51 0.00 0.00 177.10 174.34 3i27 s HIS 77 N 1.48 1.52 0.41 2.20 3.76 -0.72 -4.99 115.29 118.95 3i27 s HIS 77 Ca 0.55 -1.48 0.14 0.00 -0.15 0.00 0.00 55.06 54.11 3i27 s HIS 77 Cb -0.25 -0.71 0.99 0.00 1.11 0.00 0.00 32.58 33.72 3i27 s HIS 77 CO 0.26 -0.69 1.91 0.66 -0.85 0.00 0.00 174.74 176.03 3i27 h SER 78 N 2.31 0.46 -0.38 1.40 4.64 -2.06 -1.82 113.55 118.09 3i27 h SER 78 Ca -0.31 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3i27 h SER 78 Cb 1.24 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3i27 h SER 78 CO 0.47 0.24 0.00 -1.20 -0.87 0.00 0.00 176.83 175.47 3i27 n SER 79 N -4.49 3.58 -3.76 4.97 7.64 -1.26 -4.92 113.62 115.38 3i27 n SER 79 Ca 0.14 -2.40 -0.27 0.00 1.01 0.00 0.00 58.87 57.35 3i27 n SER 79 Cb 0.49 -0.40 -0.16 0.00 -1.01 0.00 0.00 64.21 63.13 3i27 n SER 79 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3i27 s PHE 80 N -1.73 1.10 -0.50 1.43 0.40 -0.69 -5.09 117.98 112.91 3i27 s PHE 80 Ca 0.35 -0.87 -0.16 0.00 -0.60 0.00 0.00 56.93 55.65 3i27 s PHE 80 Cb 0.23 -1.05 0.08 0.00 0.51 0.00 0.00 43.02 42.79 3i27 s PHE 80 CO 0.16 -0.60 0.47 0.08 0.70 0.00 0.00 175.22 176.02 3i27 s VAL 81 N 1.83 5.15 -0.08 -0.44 1.01 -1.26 -1.75 120.40 124.86 3i27 s VAL 81 Ca -0.01 -1.04 -0.15 0.00 0.00 0.00 0.00 61.98 60.78 3i27 s VAL 81 Cb -0.17 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 3i27 s VAL 81 CO -0.08 -0.70 0.38 -0.55 0.00 0.00 0.00 175.10 174.15 3i27 s SER 82 N 2.85 6.66 0.01 3.32 0.15 -1.26 -4.13 113.70 121.29 3i27 s SER 82 Ca 0.06 0.78 0.05 0.00 0.70 0.00 0.00 55.95 57.54 3i27 s SER 82 Cb -0.24 -2.23 -0.02 0.00 -1.71 0.00 0.00 66.02 61.82 3i27 s SER 82 CO 0.07 0.20 -0.16 -0.47 1.20 0.00 0.00 173.24 174.08 3i27 s TYR 83 N -0.30 1.39 -1.36 3.44 6.04 -1.26 -4.84 117.35 120.47 3i27 s TYR 83 Ca 0.22 -0.30 -0.12 0.00 0.04 0.00 0.00 57.07 56.91 3i27 s TYR 83 Cb -0.15 -0.87 0.11 0.00 -1.04 0.00 0.00 41.96 40.01 3i27 s TYR 83 CO 0.10 0.01 2.01 -0.40 -1.54 0.00 0.00 175.55 175.72 3i27 n ASP 84 N 2.41 4.55 -4.67 4.32 3.85 -1.26 -4.87 116.55 120.87 3i27 n ASP 84 Ca -0.16 -2.98 -0.43 0.00 -0.71 0.00 0.00 54.79 50.51 3i27 n ASP 84 Cb 0.55 -1.57 -0.01 0.00 -1.35 0.00 0.00 41.12 38.73 3i27 n ASP 84 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 3i27 n TYR 85 N 5.14 2.05 -3.45 2.11 4.01 -1.26 -4.80 117.16 120.96 3i27 n TYR 85 Ca 0.45 0.57 0.01 0.00 -0.16 0.00 0.00 57.90 58.77 3i27 n TYR 85 Cb 0.38 -2.39 -0.04 0.00 -0.31 0.00 0.00 39.34 36.99 3i27 n TYR 85 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 3i27 s PHE 86 N -0.91 -0.95 0.13 -0.72 5.36 -1.26 -0.93 117.98 118.70 3i27 s PHE 86 Ca 0.58 1.57 -0.21 0.00 -0.96 0.00 0.00 56.93 57.91 3i27 s PHE 86 Cb -0.61 0.54 0.06 0.00 -0.34 0.00 0.00 43.02 42.67 3i27 s PHE 86 CO 0.60 -0.48 0.54 1.21 -1.46 0.00 0.00 175.22 175.63 3i27 s ASN 87 N 2.66 -0.47 -0.04 6.13 3.84 -0.50 -4.70 114.94 121.86 3i27 s ASN 87 Ca -0.02 -0.04 0.04 0.00 0.21 0.00 0.00 52.86 53.05 3i27 s ASN 87 Cb -0.09 0.55 -0.00 0.00 -0.55 0.00 0.00 41.25 41.16 3i27 s ASN 87 CO -0.18 -0.90 -0.16 0.00 -2.79 0.00 0.00 177.10 173.07 3i27 s GLY 89 N 0.11 0.45 0.26 0.00 0.00 0.25 -4.33 107.32 104.06 3i27 s GLY 89 Ca -0.05 3.63 -0.02 0.00 0.00 0.00 0.00 44.72 48.28 3i27 s GLY 89 CO 0.02 2.41 1.82 -2.08 0.00 0.00 0.00 173.10 175.26 3i27 h VAL 90 N 4.21 0.90 -3.26 1.40 2.07 -1.60 -3.42 116.25 116.55 3i27 h VAL 90 Ca -0.27 -0.29 -0.68 0.00 0.82 0.00 0.00 66.70 66.28 3i27 h VAL 90 Cb 1.17 -0.04 -0.14 0.00 -1.52 0.00 0.00 31.29 30.77 3i27 h VAL 90 CO 0.21 0.16 -0.61 -1.61 0.02 0.00 0.00 177.57 175.73 3i27 s GLU 91 N -6.00 3.02 -0.02 1.57 2.02 -1.08 -4.80 118.70 113.42 3i27 s GLU 91 Ca -0.12 -0.38 0.01 0.00 0.02 0.00 0.00 54.97 54.49 3i27 s GLU 91 Cb 0.21 -2.83 0.01 0.00 0.10 0.00 0.00 34.13 31.62 3i27 s GLU 91 CO 0.79 0.71 -0.02 0.15 0.02 0.00 0.00 175.26 176.91 3i27 s LYS 92 N -0.91 0.34 -0.19 1.61 1.02 -1.26 -1.40 119.74 118.95 3i27 s LYS 92 Ca 0.14 -0.04 0.01 0.00 0.02 0.00 0.00 55.97 56.09 3i27 s LYS 92 Cb -0.11 -0.40 0.04 0.00 -0.52 0.00 0.00 37.83 36.83 3i27 s LYS 92 CO 0.03 -0.02 -0.12 0.08 -0.92 0.00 0.00 175.35 174.39 3i27 s VAL 93 N 0.44 1.71 -0.19 3.17 1.01 -0.13 -1.06 120.40 125.34 3i27 s VAL 93 Ca -0.04 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 3i27 s VAL 93 Cb -0.07 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 3i27 s VAL 93 CO -0.01 0.27 0.09 -0.36 0.00 0.00 0.00 175.10 175.09 3i27 s PHE 94 N 1.39 3.30 -0.41 5.22 0.08 0.90 -1.18 117.98 127.28 3i27 s PHE 94 Ca 0.00 0.16 0.07 0.00 0.12 0.00 0.00 56.93 57.28 3i27 s PHE 94 Cb -0.15 -2.11 0.23 0.00 -0.57 0.00 0.00 43.02 40.41 3i27 s PHE 94 CO -0.09 0.19 0.52 0.98 -0.10 0.00 0.00 175.22 176.71 3i27 n TYR 95 N 3.58 -0.83 -3.83 0.36 9.36 0.40 -0.89 117.16 125.31 3i27 n TYR 95 Ca -0.16 -3.30 -0.09 0.00 3.32 0.00 0.00 57.90 57.67 3i27 n TYR 95 Cb 0.52 -0.01 0.01 0.00 -0.63 0.00 0.00 39.34 39.23 3i27 n TYR 95 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 3i27 s GLU 96 N -0.71 2.13 0.00 2.98 4.04 -1.26 -3.68 118.70 122.20 3i27 s GLU 96 Ca 0.34 -1.37 0.00 0.00 0.04 0.00 0.00 54.97 53.99 3i27 s GLU 96 Cb 0.14 0.61 0.00 0.00 0.02 0.00 0.00 34.13 34.91 3i27 s GLU 96 CO -0.14 -0.99 0.00 0.41 -1.84 0.00 0.00 175.26 172.70 3i27 n GLY 97 N -0.52 2.05 0.37 -3.83 0.00 -1.26 -4.69 105.19 97.31 3i27 n GLY 97 Ca -0.07 -0.30 0.15 0.00 0.00 0.00 0.00 46.02 45.80 3i27 n GLY 97 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3i27 h VAL 98 N 0.00 0.81 0.00 1.61 3.04 -1.91 -2.40 116.25 117.40 3i27 h VAL 98 Ca 0.00 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 3i27 h VAL 98 Cb 0.00 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 29.72 3i27 h VAL 98 CO 0.00 0.06 0.00 0.59 -1.01 0.00 0.00 177.57 177.21 3i27 n ASN 99 N -4.46 0.00 -3.81 3.17 3.02 -1.26 -3.29 115.26 108.63 3i27 n ASN 99 Ca 0.12 -0.61 -0.30 0.00 -0.03 0.00 0.00 54.58 53.76 3i27 n ASN 99 Cb 0.50 -0.06 -0.14 0.00 -0.61 0.00 0.00 39.78 39.46 3i27 n ASN 99 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3i27 s PHE 100 N -2.12 2.41 0.21 3.10 5.36 -0.90 -4.90 117.98 121.14 3i27 s PHE 100 Ca 0.34 -2.46 0.00 0.00 -0.96 0.00 0.00 56.93 53.85 3i27 s PHE 100 Cb 0.17 -2.17 -0.04 0.00 -0.34 0.00 0.00 43.02 40.63 3i27 s PHE 100 CO 0.30 -0.83 0.10 -1.12 -1.46 0.00 0.00 175.22 172.21 3i27 s SER 101 N 0.69 0.63 0.62 6.13 0.01 -1.21 -5.00 113.70 115.58 3i27 s SER 101 Ca 0.14 -1.35 0.35 0.00 1.31 0.00 0.00 55.95 56.40 3i27 s SER 101 Cb -0.22 0.27 1.99 0.00 0.21 0.00 0.00 66.02 68.28 3i27 s SER 101 CO -0.08 -0.76 2.25 -0.65 0.41 0.00 0.00 173.24 174.41 3i27 h PRO 102 N 2.57 0.00 -0.90 12.44 0.11 -1.83 0.16 132.00 144.56 3i27 h PRO 102 Ca -0.37 0.00 0.24 0.00 0.11 0.00 0.00 66.00 65.98 3i27 h PRO 102 Cb 1.24 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.22 3i27 h PRO 102 CO 0.57 0.00 0.36 -0.09 -0.21 0.00 0.00 178.00 178.63 3i27 h ARG 103 N 0.00 0.31 0.00 1.05 2.43 -1.57 -0.29 114.38 116.32 3i27 h ARG 103 Ca 0.01 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3i27 h ARG 103 Cb 0.13 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3i27 h ARG 103 CO -0.00 0.21 -0.14 -0.22 -1.51 0.00 0.00 179.97 178.31 3i27 h LYS 104 N 0.32 0.00 -5.92 0.20 3.64 -1.26 -3.47 116.57 110.09 3i27 h LYS 104 Ca 0.57 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 59.51 3i27 h LYS 104 Cb 1.14 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.91 3i27 h LYS 104 CO -0.58 0.14 -0.69 1.04 -2.27 0.00 0.00 179.45 177.09 3i27 n GLN 105 N -3.49 -4.72 -2.89 1.90 1.13 -0.12 -4.96 117.38 104.23 3i27 n GLN 105 Ca -0.01 0.58 -0.40 0.00 -1.94 0.00 0.00 57.00 55.22 3i27 n GLN 105 Cb 0.30 -5.41 -0.04 0.00 0.11 0.00 0.00 30.24 25.19 3i27 n GLN 105 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3i27 s TYR 106 N -3.18 3.72 0.19 1.08 5.04 -1.26 -4.93 117.35 118.01 3i27 s TYR 106 Ca 0.57 1.56 -0.16 0.00 -2.44 0.00 0.00 57.07 56.60 3i27 s TYR 106 Cb -0.29 -2.92 0.02 0.00 0.35 0.00 0.00 41.96 39.12 3i27 s TYR 106 CO 0.70 0.19 0.48 -1.54 -1.34 0.00 0.00 175.55 174.04 3i27 s SER 107 N 0.24 -0.21 0.08 4.32 1.04 -1.26 -4.06 113.70 113.85 3i27 s SER 107 Ca 0.43 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.30 3i27 s SER 107 Cb -0.21 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3i27 s SER 107 CO 0.25 -1.03 0.00 0.00 0.98 0.00 0.00 173.24 173.44 3i27 n TRP 109 N -3.19 0.00 0.18 0.00 7.02 -1.26 -1.21 117.44 118.98 3i27 n TRP 109 Ca 0.00 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.57 3i27 n TRP 109 Cb 0.00 0.00 0.25 0.00 -2.42 0.00 0.00 31.31 29.14 3i27 n TRP 109 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3i27 n ASP 110 N 0.00 3.07 0.24 -0.99 8.00 0.14 -4.32 116.55 122.69 3i27 n ASP 110 Ca 0.00 -2.01 0.16 0.00 0.71 0.00 0.00 54.79 53.65 3i27 n ASP 110 Cb 0.00 -0.38 0.57 0.00 -0.02 0.00 0.00 41.12 41.29 3i27 n ASP 110 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3i27 h GLU 111 N 3.33 0.00 -2.45 -1.24 9.09 -1.90 -3.47 114.58 117.93 3i27 h GLU 111 Ca 0.00 0.00 0.29 0.00 0.05 0.00 0.00 59.36 59.70 3i27 h GLU 111 Cb 0.77 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 27.78 3i27 h GLU 111 CO 0.00 0.00 -0.51 0.41 0.05 0.00 0.00 179.01 178.96 3i27 n GLY 112 N 0.25 -2.05 0.37 1.06 0.00 -1.26 -2.26 105.19 101.30 3i27 n GLY 112 Ca 0.01 -1.23 -0.00 0.00 0.00 0.00 0.00 46.02 44.80 3i27 n GLY 112 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i27 h VAL 113 N -1.02 1.21 -0.74 1.61 2.07 -1.92 -1.81 116.25 115.65 3i27 h VAL 113 Ca -0.02 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3i27 h VAL 113 Cb 1.00 -0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 3i27 h VAL 113 CO 0.02 0.23 0.41 0.44 0.02 0.00 0.00 177.57 178.69 3i27 h ASP 114 N 1.27 0.91 -0.55 0.57 3.32 -1.90 -1.01 116.42 119.04 3i27 h ASP 114 Ca 0.37 -0.07 0.09 0.00 0.02 0.00 0.00 57.03 57.44 3i27 h ASP 114 Cb -0.07 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 39.18 3i27 h ASP 114 CO -0.10 0.73 0.16 1.23 -1.72 0.00 0.00 179.24 179.54 3i27 h GLY 115 N 1.07 0.71 2.00 2.75 0.00 -0.88 -1.44 103.07 107.29 3i27 h GLY 115 Ca 0.26 -0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 3i27 h GLY 115 CO -0.04 -0.05 -0.30 1.49 0.00 0.00 0.00 176.54 177.64 3i27 h TRP 116 N 0.31 0.00 -0.11 5.60 4.06 -1.13 -1.54 115.95 123.15 3i27 h TRP 116 Ca 0.27 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 61.08 3i27 h TRP 116 Cb 0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.50 3i27 h TRP 116 CO -0.20 0.30 -0.57 0.82 -3.56 0.00 0.00 178.44 175.23 3i27 h ILE 117 N 0.00 1.36 -0.23 1.49 1.08 -0.82 -0.38 117.51 120.01 3i27 h ILE 117 Ca -0.00 -1.88 -0.02 0.00 -0.39 0.00 0.00 64.86 62.57 3i27 h ILE 117 Cb 0.92 1.89 -0.01 0.00 -3.07 0.00 0.00 36.82 36.55 3i27 h ILE 117 CO 0.04 0.56 0.05 -0.08 -0.69 0.00 0.00 178.15 178.03 3i27 h GLU 118 N 0.27 0.37 -0.49 2.37 4.57 -0.93 -1.16 114.58 119.58 3i27 h GLU 118 Ca 0.00 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3i27 h GLU 118 Cb 1.08 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.60 3i27 h GLU 118 CO 0.09 0.49 0.29 -0.07 -1.18 0.00 0.00 179.01 178.64 3i27 h LEU 119 N 0.18 0.59 -0.57 1.64 3.38 -1.16 -0.70 115.31 118.67 3i27 h LEU 119 Ca 0.07 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.08 3i27 h LEU 119 Cb 0.30 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.82 3i27 h LEU 119 CO 0.00 0.48 0.12 0.50 0.09 0.00 0.00 178.44 179.63 3i27 h LYS 120 N 0.65 0.25 -0.66 1.13 3.64 -0.94 -0.66 116.57 119.97 3i27 h LYS 120 Ca 0.17 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3i27 h LYS 120 Cb 0.00 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 3i27 h LYS 120 CO -0.03 0.16 0.33 1.15 -2.27 0.00 0.00 179.45 178.79 3i27 h THR 121 N 0.26 1.22 -0.75 1.00 2.02 -0.39 -1.70 112.91 114.57 3i27 h THR 121 Ca 0.30 -0.61 0.01 0.00 0.77 0.00 0.00 66.41 66.88 3i27 h THR 121 Cb 0.43 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 3i27 h THR 121 CO -0.38 0.25 0.49 0.03 0.37 0.00 0.00 175.52 176.29 3i27 h ARG 122 N 0.92 0.97 -0.01 6.66 3.08 -0.57 -0.92 114.38 124.50 3i27 h ARG 122 Ca 0.23 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 3i27 h ARG 122 Cb 0.10 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 3i27 h ARG 122 CO -0.03 0.64 0.00 0.35 -1.07 0.00 0.00 179.97 179.86 3i27 h PHE 123 N 1.00 0.02 -0.36 3.04 3.57 -0.76 -2.27 116.94 121.17 3i27 h PHE 123 Ca 0.28 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.68 3i27 h PHE 123 Cb -0.10 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 3i27 h PHE 123 CO -0.02 0.29 -0.16 1.88 -2.23 0.00 0.00 178.31 178.07 3i27 h TYR 124 N -0.27 0.73 -0.45 0.41 0.05 -1.21 0.18 116.97 116.42 3i27 h TYR 124 Ca 0.00 -0.14 0.09 0.00 0.05 0.00 0.00 58.73 58.73 3i27 h TYR 124 Cb 0.29 -0.19 -0.08 0.00 1.01 0.00 0.00 36.73 37.77 3i27 h TYR 124 CO 0.02 0.79 -0.03 1.15 -1.05 0.00 0.00 178.16 179.04 3i27 h THR 125 N 0.60 0.63 -0.21 -2.88 2.02 -1.05 -0.99 112.91 111.02 3i27 h THR 125 Ca 0.10 -0.03 -0.19 0.00 0.77 0.00 0.00 66.41 67.05 3i27 h THR 125 Cb 0.62 0.54 0.01 0.00 -1.74 0.00 0.00 68.15 67.57 3i27 h THR 125 CO 0.04 0.01 -0.63 0.50 0.37 0.00 0.00 175.52 175.82 3i27 h LYS 126 N 0.08 0.80 -0.13 6.66 1.63 -0.98 -2.01 116.57 122.62 3i27 h LYS 126 Ca 0.22 -0.58 0.03 0.00 -0.85 0.00 0.00 60.65 59.47 3i27 h LYS 126 Cb 0.33 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.03 3i27 h LYS 126 CO -0.40 1.20 -0.05 1.25 -3.45 0.00 0.00 179.45 178.00 3i27 h LEU 127 N 0.55 -0.18 -0.54 5.20 5.85 -0.40 -0.29 115.31 125.50 3i27 h LEU 127 Ca -0.02 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 3i27 h LEU 127 Cb 1.25 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 3i27 h LEU 127 CO 0.13 -0.07 0.09 1.88 -0.34 0.00 0.00 178.44 180.14 3i27 h TYR 128 N -0.03 0.95 -0.05 1.25 0.05 -1.21 -0.32 116.97 117.61 3i27 h TYR 128 Ca 0.07 -0.13 0.02 0.00 0.05 0.00 0.00 58.73 58.74 3i27 h TYR 128 Cb 0.14 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.60 3i27 h TYR 128 CO -0.19 0.84 -0.06 1.96 -1.05 0.00 0.00 178.16 179.67 3i27 h GLN 129 N 0.78 -0.07 -0.14 4.88 4.20 -1.08 -2.67 115.11 121.00 3i27 h GLN 129 Ca 0.16 0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.75 3i27 h GLN 129 Cb 0.40 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3i27 h GLN 129 CO 0.01 -0.05 -0.47 0.52 -0.67 0.00 0.00 178.83 178.17 3i27 h MET 130 N -0.08 0.35 -0.01 1.46 2.86 -0.92 -2.90 114.93 115.70 3i27 h MET 130 Ca 0.04 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3i27 h MET 130 Cb 0.13 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 3i27 h MET 130 CO -0.09 0.75 -0.07 0.00 1.06 0.00 0.00 176.91 178.56 3i27 h ALA 131 N 1.22 1.87 0.00 6.32 0.00 -0.73 -2.95 119.26 124.99 3i27 h ALA 131 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i27 h ALA 131 Cb 0.94 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3i27 h ALA 131 CO 0.08 0.10 0.00 1.79 0.00 0.00 0.00 179.25 181.22 3i27 h THR 132 N 0.01 0.00 -0.09 0.00 1.35 -1.26 -2.60 112.91 110.32 3i27 h THR 132 Ca 0.00 -0.24 -0.02 0.00 -0.55 0.00 0.00 66.41 65.61 3i27 h THR 132 Cb 0.13 1.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.68 3i27 h THR 132 CO 0.01 0.00 -0.08 0.35 -0.25 0.00 0.00 175.52 175.55 3i27 n THR 133 N -2.89 2.08 -4.35 6.82 -2.24 -1.11 -1.32 114.28 111.27 3i27 n THR 133 Ca -0.01 -2.37 -0.22 0.00 -2.27 0.00 0.00 64.05 59.17 3i27 n THR 133 Cb 0.18 -0.25 -0.11 0.00 -2.10 0.00 0.00 70.33 68.05 3i27 n THR 133 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i27 s SER 134 N -2.70 2.83 -0.27 3.42 0.01 -0.98 -1.94 113.70 114.07 3i27 s SER 134 Ca 0.36 -0.88 -0.12 0.00 1.31 0.00 0.00 55.95 56.63 3i27 s SER 134 Cb 0.32 -0.18 -0.12 0.00 0.21 0.00 0.00 66.02 66.25 3i27 s SER 134 CO 0.02 -0.01 -0.33 -1.14 0.41 0.00 0.00 173.24 172.19 3i27 n ARG 135 N 0.22 0.57 -3.87 12.44 0.63 -1.26 -4.76 116.66 120.63 3i27 n ARG 135 Ca -0.12 0.24 -0.36 0.00 -0.92 0.00 0.00 57.85 56.69 3i27 n ARG 135 Cb 0.57 -1.45 -0.06 0.00 0.45 0.00 0.00 32.46 31.97 3i27 n ARG 135 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i27 s ILE 137 N -1.14 0.61 -0.06 0.00 1.01 -0.19 -2.95 121.20 118.48 3i27 s ILE 137 Ca 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.74 3i27 s ILE 137 Cb -0.12 -0.67 0.04 0.00 0.01 0.00 0.00 42.46 41.71 3i27 s ILE 137 CO 0.09 0.27 0.12 -0.75 0.00 0.00 0.00 174.94 174.67 3i27 s LYS 138 N 1.45 -0.01 -0.26 2.79 2.20 0.13 -1.41 119.74 124.63 3i27 s LYS 138 Ca -0.02 0.46 -0.29 0.00 -0.36 0.00 0.00 55.97 55.75 3i27 s LYS 138 Cb -0.13 -0.35 0.01 0.00 -1.51 0.00 0.00 37.83 35.85 3i27 s LYS 138 CO -0.03 -0.29 1.15 -1.17 -0.36 0.00 0.00 175.35 174.64 3i27 s LEU 139 N 2.06 4.01 0.17 5.43 2.96 -0.11 -0.23 118.68 132.97 3i27 s LEU 139 Ca 0.02 1.29 0.10 0.00 -0.22 0.00 0.00 54.13 55.32 3i27 s LEU 139 Cb -0.12 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 3i27 s LEU 139 CO -0.05 -0.85 -0.19 0.27 -1.32 0.00 0.00 176.35 174.22 3i27 s ILE 140 N 3.66 2.69 -0.26 6.68 -4.36 0.34 -4.70 121.20 125.26 3i27 s ILE 140 Ca 0.49 -1.78 -0.24 0.00 -0.26 0.00 0.00 60.65 58.86 3i27 s ILE 140 Cb -0.16 -2.28 -0.00 0.00 1.25 0.00 0.00 42.46 41.27 3i27 s ILE 140 CO 0.14 -0.04 0.82 -1.10 0.24 0.00 0.00 174.94 175.01 3i27 s GLN 141 N -2.53 4.14 0.52 0.37 -1.52 -1.26 -1.74 119.66 117.64 3i27 s GLN 141 Ca 0.21 0.88 -0.18 0.00 -1.95 0.00 0.00 55.36 54.31 3i27 s GLN 141 Cb -0.09 -3.66 -0.07 0.00 -0.22 0.00 0.00 33.01 28.97 3i27 s GLN 141 CO 0.11 -0.55 1.03 -0.51 -0.25 0.00 0.00 175.29 175.11 3i27 s LEU 142 N 2.88 3.69 0.49 2.90 1.43 0.23 -4.97 118.68 125.33 3i27 s LEU 142 Ca 0.34 1.80 -0.21 0.00 -1.03 0.00 0.00 54.13 55.04 3i27 s LEU 142 Cb -0.15 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.46 3i27 s LEU 142 CO 0.08 -0.85 1.10 -1.10 0.23 0.00 0.00 176.35 175.82 3i27 s GLN 143 N -3.68 3.67 0.53 1.70 -1.52 -1.26 -4.86 119.66 114.23 3i27 s GLN 143 Ca 0.64 1.55 -0.22 0.00 -1.95 0.00 0.00 55.36 55.38 3i27 s GLN 143 Cb -0.14 -2.17 -0.05 0.00 -0.22 0.00 0.00 33.01 30.42 3i27 s GLN 143 CO 0.27 -0.58 1.37 0.00 -0.25 0.00 0.00 175.29 176.11 3i27 n ALA 144 N -0.90 1.67 -1.58 6.09 0.00 -1.26 -4.72 120.51 119.82 3i27 n ALA 144 Ca 0.09 0.15 -0.44 0.00 0.00 0.00 0.00 53.44 53.24 3i27 n ALA 144 Cb 0.51 -2.36 -0.01 0.00 0.00 0.00 0.00 19.45 17.58 3i27 n ALA 144 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i27 n PRO 145 N -0.87 1.26 0.08 0.00 -0.02 -1.26 -4.87 135.00 129.32 3i27 n PRO 145 Ca 0.09 0.44 -0.04 0.00 -2.02 0.00 0.00 63.50 61.98 3i27 n PRO 145 Cb 0.44 -1.83 0.17 0.00 -0.02 0.00 0.00 33.50 32.25 3i27 n PRO 145 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3i27 h SER 146 N 1.78 0.31 -3.24 2.55 0.02 -1.92 -3.38 113.55 109.67 3i27 h SER 146 Ca -0.40 -0.15 -0.67 0.00 -0.84 0.00 0.00 61.79 59.73 3i27 h SER 146 Cb 1.35 -0.09 -0.32 0.00 0.14 0.00 0.00 62.40 63.48 3i27 h SER 146 CO 0.59 0.75 -0.82 -0.55 -1.14 0.00 0.00 176.83 175.66 3i27 s SER 147 N -6.88 3.54 -0.05 3.07 0.15 -1.26 -5.10 113.70 107.17 3i27 s SER 147 Ca -0.05 -0.52 -0.01 0.00 0.70 0.00 0.00 55.95 56.08 3i27 s SER 147 Cb 0.13 -1.55 0.03 0.00 -1.71 0.00 0.00 66.02 62.92 3i27 s SER 147 CO 0.79 0.06 0.01 -0.76 1.20 0.00 0.00 173.24 174.54 3i27 s LEU 148 N 0.98 0.71 1.04 3.45 1.43 -1.26 -4.64 118.68 120.39 3i27 s LEU 148 Ca -0.02 -0.02 -0.15 0.00 -1.03 0.00 0.00 54.13 52.90 3i27 s LEU 148 Cb -0.15 -0.29 0.21 0.00 0.03 0.00 0.00 46.19 46.00 3i27 s LEU 148 CO -0.03 -0.17 1.15 -2.84 0.23 0.00 0.00 176.35 174.68 3i27 s PRO 149 N 1.64 0.11 0.16 1.29 0.02 -1.26 -4.96 135.00 131.99 3i27 s PRO 149 Ca -0.01 0.11 -0.34 0.00 0.02 0.00 0.00 61.00 60.78 3i27 s PRO 149 Cb -0.13 -1.74 -0.15 0.00 0.02 0.00 0.00 34.50 32.51 3i27 s PRO 149 CO -0.03 -2.86 1.40 2.41 -0.33 0.00 0.00 177.00 177.59 3i27 n THR 150 N -4.19 0.36 -4.17 0.99 -1.04 -1.26 -4.98 114.28 99.98 3i27 n THR 150 Ca 0.10 -0.09 -0.16 0.00 -2.04 0.00 0.00 64.05 61.86 3i27 n THR 150 Cb 0.59 -1.19 -0.14 0.00 -1.82 0.00 0.00 70.33 67.76 3i27 n THR 150 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3i27 s LEU 151 N 0.57 2.02 -0.16 -4.42 1.43 -1.26 -4.01 118.68 112.84 3i27 s LEU 151 Ca 0.77 -0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 53.72 3i27 s LEU 151 Cb -0.78 -0.28 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 3i27 s LEU 151 CO 0.45 0.06 -0.03 -1.58 0.23 0.00 0.00 176.35 175.48 3i27 s GLN 152 N -0.16 3.65 0.38 1.70 0.74 0.32 -4.90 119.66 121.39 3i27 s GLN 152 Ca 0.02 -0.52 -0.28 0.00 0.05 0.00 0.00 55.36 54.63 3i27 s GLN 152 Cb -0.02 -2.93 -0.10 0.00 1.10 0.00 0.00 33.01 31.05 3i27 s GLN 152 CO -0.00 0.20 1.41 0.00 -0.55 0.00 0.00 175.29 176.35 3i27 s ALA 153 N 0.46 3.47 1.04 1.58 0.00 -1.26 0.20 121.76 127.25 3i27 s ALA 153 Ca -0.03 1.44 -0.14 0.00 0.00 0.00 0.00 51.96 53.23 3i27 s ALA 153 Cb -0.14 -3.56 0.21 0.00 0.00 0.00 0.00 23.12 19.63 3i27 s ALA 153 CO 0.03 -0.95 1.10 0.20 0.00 0.00 0.00 175.76 176.14 3i27 s GLY 154 N -0.35 1.57 0.13 0.00 0.00 -0.44 -4.78 107.32 103.44 3i27 s GLY 154 Ca 0.53 -0.50 0.01 0.00 0.00 0.00 0.00 44.72 44.76 3i27 s GLY 154 CO 0.58 0.17 0.00 -1.34 0.00 0.00 0.00 173.10 172.51 3i27 s VAL 155 N -3.00 0.44 0.04 1.40 -7.23 -1.26 -4.92 120.40 105.87 3i27 s VAL 155 Ca 0.66 -1.93 -0.19 0.00 -1.81 0.00 0.00 61.98 58.71 3i27 s VAL 155 Cb -0.17 -1.95 -0.06 0.00 0.56 0.00 0.00 36.38 34.76 3i27 s VAL 155 CO 0.57 -0.61 0.56 0.00 -0.31 0.00 0.00 175.10 175.32 3i27 h ARG 157 N 4.96 0.55 0.00 0.00 2.43 -1.49 -1.53 114.38 119.29 3i27 h ARG 157 Ca -0.48 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3i27 h ARG 157 Cb 1.21 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3i27 h ARG 157 CO 0.66 0.36 0.00 0.25 -1.51 0.00 0.00 179.97 179.73 3i27 n THR 158 N -4.58 0.47 -1.09 0.20 -2.24 -0.45 -4.89 114.28 101.70 3i27 n THR 158 Ca 0.20 0.12 -0.03 0.00 -2.27 0.00 0.00 64.05 62.06 3i27 n THR 158 Cb 0.61 -0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 68.05 3i27 n THR 158 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3i27 n ASN 159 N -1.39 -5.21 -4.44 3.42 5.03 -0.58 -5.02 115.26 107.07 3i27 n ASN 159 Ca 0.08 0.08 -0.29 0.00 0.87 0.00 0.00 54.58 55.31 3i27 n ASN 159 Cb 0.20 -2.99 0.15 0.00 -1.02 0.00 0.00 39.78 36.12 3i27 n ASN 159 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3i27 s LYS 160 N -1.88 0.97 -0.21 3.52 1.02 -1.26 -4.98 119.74 116.92 3i27 s LYS 160 Ca 0.00 -0.12 -0.29 0.00 0.02 0.00 0.00 55.97 55.58 3i27 s LYS 160 Cb 0.00 -1.86 -0.01 0.00 -0.52 0.00 0.00 37.83 35.44 3i27 s LYS 160 CO 0.00 -2.23 1.34 -1.14 -0.92 0.00 0.00 175.35 172.39 3i27 s GLN 161 N -5.67 4.08 0.42 1.68 2.00 -1.26 -4.33 119.66 116.58 3i27 s GLN 161 Ca 0.69 1.56 -0.26 0.00 -2.00 0.00 0.00 55.36 55.34 3i27 s GLN 161 Cb -0.08 -3.85 -0.09 0.00 0.80 0.00 0.00 33.01 29.79 3i27 s GLN 161 CO 0.52 -0.92 1.43 -1.17 -0.50 0.00 0.00 175.29 174.66 3i27 s LEU 162 N 4.00 4.21 0.39 3.68 2.96 -1.26 -4.93 118.68 127.74 3i27 s LEU 162 Ca 0.58 2.94 -0.26 0.00 -0.22 0.00 0.00 54.13 57.16 3i27 s LEU 162 Cb -0.21 -3.83 -0.11 0.00 0.50 0.00 0.00 46.19 42.55 3i27 s LEU 162 CO 0.20 -1.01 1.28 -2.65 -1.32 0.00 0.00 176.35 172.85 3i27 n PRO 163 N 0.11 2.02 0.17 0.98 -0.02 -1.26 -4.88 135.00 132.12 3i27 n PRO 163 Ca 0.03 0.72 0.12 0.00 -2.02 0.00 0.00 63.50 62.35 3i27 n PRO 163 Cb 0.41 -2.37 0.26 0.00 -0.02 0.00 0.00 33.50 31.78 3i27 n PRO 163 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3i27 h ASP 164 N 2.28 0.00 -3.37 2.55 3.32 -1.15 -3.43 116.42 116.61 3i27 h ASP 164 Ca -0.47 -0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.22 3i27 h ASP 164 Cb 1.29 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.46 3i27 h ASP 164 CO 0.61 0.00 -0.74 0.21 -1.72 0.00 0.00 179.24 177.60 3i27 s ASN 165 N -5.48 0.81 0.72 6.45 2.47 -0.33 -3.58 114.94 116.00 3i27 s ASN 165 Ca 0.08 0.07 -0.11 0.00 0.42 0.00 0.00 52.86 53.32 3i27 s ASN 165 Cb 0.08 -0.12 0.02 0.00 -1.45 0.00 0.00 41.25 39.78 3i27 s ASN 165 CO 0.64 -0.21 1.07 -2.16 -3.72 0.00 0.00 177.10 172.72 3i27 s PRO 166 N 1.83 2.75 0.20 0.43 0.04 -1.26 -4.40 135.00 134.59 3i27 s PRO 166 Ca 0.01 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 61.74 3i27 s PRO 166 Cb -0.12 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 3i27 s PRO 166 CO -0.03 -1.25 1.26 0.50 0.04 0.00 0.00 177.00 177.53 3i27 s ARG 167 N -5.01 4.43 -0.18 4.56 3.52 0.39 -4.86 118.95 121.79 3i27 s ARG 167 Ca 0.59 1.99 0.01 0.00 -0.13 0.00 0.00 55.73 58.18 3i27 s ARG 167 Cb -0.15 -3.21 0.01 0.00 -1.56 0.00 0.00 34.95 30.05 3i27 s ARG 167 CO 0.55 -0.18 -0.18 -1.17 -0.81 0.00 0.00 175.30 173.51 3i27 s LEU 168 N -0.22 2.24 0.18 -0.88 2.96 -1.26 -2.47 118.68 119.23 3i27 s LEU 168 Ca 0.55 -0.60 -0.08 0.00 -0.22 0.00 0.00 54.13 53.78 3i27 s LEU 168 Cb -0.35 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 3i27 s LEU 168 CO 0.38 0.02 0.29 0.00 -1.32 0.00 0.00 176.35 175.71 3i27 s ALA 169 N 1.19 0.17 -0.13 5.97 0.00 -0.60 -1.33 121.76 127.03 3i27 s ALA 169 Ca 0.02 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.96 3i27 s ALA 169 Cb -0.14 0.97 -0.00 0.00 0.00 0.00 0.00 23.12 23.95 3i27 s ALA 169 CO -0.09 -0.67 -0.17 -0.51 0.00 0.00 0.00 175.76 174.32 3i27 s LEU 170 N -3.01 2.42 0.67 0.00 1.02 0.13 -0.96 118.68 118.94 3i27 s LEU 170 Ca 0.22 -0.46 -0.11 0.00 0.02 0.00 0.00 54.13 53.79 3i27 s LEU 170 Cb 0.03 -1.53 -0.01 0.00 0.02 0.00 0.00 46.19 44.71 3i27 s LEU 170 CO 0.03 0.13 1.07 -0.76 0.02 0.00 0.00 176.35 176.84 3i27 s LEU 171 N 0.57 3.05 0.00 1.79 1.43 0.11 -0.52 118.68 125.11 3i27 s LEU 171 Ca -0.10 1.28 0.26 0.00 -1.03 0.00 0.00 54.13 54.54 3i27 s LEU 171 Cb -0.16 -4.19 1.15 0.00 0.03 0.00 0.00 46.19 43.01 3i27 s LEU 171 CO 0.04 -1.15 1.78 -1.20 0.23 0.00 0.00 176.35 176.05 3i27 n SER 172 N -2.91 1.07 -2.62 2.29 7.64 -1.26 -4.83 113.62 113.00 3i27 n SER 172 Ca 0.07 -1.45 -0.13 0.00 1.01 0.00 0.00 58.87 58.37 3i27 n SER 172 Cb 0.56 -0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.69 3i27 n SER 172 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3i27 n ASP 173 N -0.13 -0.83 -1.20 6.43 5.68 -1.26 -5.05 116.55 120.18 3i27 n ASP 173 Ca 0.19 -2.57 0.08 0.00 -0.50 0.00 0.00 54.79 51.99 3i27 n ASP 173 Cb 0.26 1.67 0.30 0.00 -1.14 0.00 0.00 41.12 42.22 3i27 n ASP 173 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3i27 n THR 174 N -0.47 2.26 -2.09 2.12 -2.24 -1.26 -3.22 114.28 109.38 3i27 n THR 174 Ca 0.03 -1.62 -0.42 0.00 -2.27 0.00 0.00 64.05 59.77 3i27 n THR 174 Cb 0.46 -0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 3i27 n THR 174 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i27 s VAL 175 N -2.56 3.33 0.13 2.28 1.01 -1.26 -4.36 120.40 118.97 3i27 s VAL 175 Ca 0.45 0.81 -0.34 0.00 0.00 0.00 0.00 61.98 62.90 3i27 s VAL 175 Cb 0.34 -3.52 -0.14 0.00 0.00 0.00 0.00 36.38 33.06 3i27 s VAL 175 CO 0.13 0.01 1.58 -2.65 0.00 0.00 0.00 175.10 174.17 3i27 n PRO 176 N 5.08 2.05 -4.00 2.72 -0.02 -1.25 -4.32 135.00 135.25 3i27 n PRO 176 Ca 0.14 0.74 -0.09 0.00 -2.02 0.00 0.00 63.50 62.27 3i27 n PRO 176 Cb 0.42 -2.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.29 3i27 n PRO 176 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i27 s THR 177 N 1.14 0.14 0.03 3.45 2.01 -0.83 -4.96 115.64 116.62 3i27 s THR 177 Ca 0.81 -1.04 0.04 0.00 0.31 0.00 0.00 61.69 61.80 3i27 s THR 177 Cb -0.71 -0.45 -0.02 0.00 0.01 0.00 0.00 72.50 71.33 3i27 s THR 177 CO 0.40 -0.57 -0.12 -0.44 -0.69 0.00 0.00 174.62 173.20 3i27 s SER 178 N -1.67 1.44 0.23 3.53 0.01 -1.26 -0.72 113.70 115.26 3i27 s SER 178 Ca -0.13 -0.40 0.11 0.00 1.31 0.00 0.00 55.95 56.84 3i27 s SER 178 Cb -0.07 -0.09 -0.05 0.00 0.21 0.00 0.00 66.02 66.02 3i27 s SER 178 CO -0.02 0.02 -0.21 0.68 0.41 0.00 0.00 173.24 174.12 3i27 s VAL 179 N -0.77 2.32 -0.20 3.43 -7.23 -0.64 -4.97 120.40 112.34 3i27 s VAL 179 Ca 0.01 -2.20 -0.07 0.00 -1.81 0.00 0.00 61.98 57.91 3i27 s VAL 179 Cb -0.07 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 3i27 s VAL 179 CO 0.01 -0.29 0.06 -1.10 -0.31 0.00 0.00 175.10 173.47 3i27 s GLN 180 N -3.11 3.87 0.17 4.82 1.11 -1.26 -0.28 119.66 124.98 3i27 s GLN 180 Ca 0.24 -0.39 0.08 0.00 0.01 0.00 0.00 55.36 55.30 3i27 s GLN 180 Cb -0.06 -3.22 -0.04 0.00 -1.01 0.00 0.00 33.01 28.68 3i27 s GLN 180 CO 0.12 0.15 -0.07 -0.59 0.01 0.00 0.00 175.29 174.90 3i27 s PHE 181 N 0.69 2.70 -0.19 0.91 -0.71 -0.01 -4.14 117.98 117.23 3i27 s PHE 181 Ca 0.03 -0.19 -0.01 0.00 -1.04 0.00 0.00 56.93 55.72 3i27 s PHE 181 Cb -0.13 -1.33 0.01 0.00 -1.21 0.00 0.00 43.02 40.35 3i27 s PHE 181 CO 0.02 0.50 -0.15 0.08 -1.34 0.00 0.00 175.22 174.33 3i27 s VAL 182 N -1.63 2.52 -0.40 -2.49 1.01 -1.26 -1.04 120.40 117.11 3i27 s VAL 182 Ca 0.25 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 61.25 3i27 s VAL 182 Cb -0.09 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.21 3i27 s VAL 182 CO 0.16 0.50 0.57 -0.76 0.00 0.00 0.00 175.10 175.57 3i27 s LEU 183 N 1.30 4.49 0.66 3.92 1.43 -0.28 -4.66 118.68 125.53 3i27 s LEU 183 Ca 0.04 -0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 52.75 3i27 s LEU 183 Cb -0.14 -2.63 -0.00 0.00 0.03 0.00 0.00 46.19 43.45 3i27 s LEU 183 CO -0.09 -0.63 1.09 -2.16 0.23 0.00 0.00 176.35 174.79 3i27 s PRO 184 N 2.56 2.90 0.42 1.29 0.04 -1.26 -1.54 135.00 139.41 3i27 s PRO 184 Ca 0.20 1.27 0.27 0.00 0.04 0.00 0.00 61.00 62.78 3i27 s PRO 184 Cb -0.15 -1.97 0.87 0.00 0.04 0.00 0.00 34.50 33.29 3i27 s PRO 184 CO 0.16 -1.15 1.79 0.78 0.04 0.00 0.00 177.00 178.61 3i27 h GLY 185 N -0.05 0.00 -2.73 0.56 0.00 -1.95 -3.42 103.07 95.48 3i27 h GLY 185 Ca -0.46 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 3i27 h GLY 185 CO 0.55 0.00 0.17 -1.35 0.00 0.00 0.00 176.54 175.91 3i27 s SER 186 N -5.48 -0.44 -0.16 0.19 1.04 -1.26 -0.99 113.70 106.60 3i27 s SER 186 Ca 0.05 -0.22 -0.04 0.00 0.48 0.00 0.00 55.95 56.22 3i27 s SER 186 Cb 0.08 0.62 0.07 0.00 0.10 0.00 0.00 66.02 66.89 3i27 s SER 186 CO 0.57 -1.06 0.17 -0.55 0.98 0.00 0.00 173.24 173.36 3i27 s SER 187 N -2.81 1.37 1.77 7.02 0.15 0.10 -4.85 113.70 116.45 3i27 s SER 187 Ca 0.05 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.58 3i27 s SER 187 Cb -0.02 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 3i27 s SER 187 CO -0.07 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.68 3i27 n GLY 188 N 5.31 3.86 0.23 9.45 0.00 -1.26 -0.84 105.19 121.94 3i27 n GLY 188 Ca -0.05 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.16 3i27 n GLY 188 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i27 n THR 189 N 0.00 0.00 -3.21 2.61 -2.24 -1.26 -4.88 114.28 105.30 3i27 n THR 189 Ca 0.00 -0.12 -0.39 0.00 -2.27 0.00 0.00 64.05 61.27 3i27 n THR 189 Cb 0.00 0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.50 3i27 n THR 189 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3i27 s THR 190 N -2.49 4.96 0.05 4.28 2.01 -0.02 -5.05 115.64 119.38 3i27 s THR 190 Ca 0.25 1.21 -0.24 0.00 0.31 0.00 0.00 61.69 63.23 3i27 s THR 190 Cb 0.19 -3.92 -0.06 0.00 0.01 0.00 0.00 72.50 68.73 3i27 s THR 190 CO 0.51 0.40 0.73 -0.63 -0.69 0.00 0.00 174.62 174.93 3i27 s ILE 191 N -0.02 4.72 -0.61 1.82 -1.09 -1.26 -0.73 121.20 124.03 3i27 s ILE 191 Ca 0.31 1.55 -0.11 0.00 -2.23 0.00 0.00 60.65 60.17 3i27 s ILE 191 Cb -0.18 -4.07 0.16 0.00 -1.58 0.00 0.00 42.46 36.79 3i27 s ILE 191 CO 0.16 0.40 0.51 0.00 -1.23 0.00 0.00 174.94 174.78 3i27 h THR 193 N 5.55 0.00 -3.19 0.00 1.35 -0.69 -3.41 112.91 112.53 3i27 h THR 193 Ca -0.10 -0.69 -0.00 0.00 -0.55 0.00 0.00 66.41 65.06 3i27 h THR 193 Cb 1.05 1.62 -0.10 0.00 -1.73 0.00 0.00 68.15 68.99 3i27 h THR 193 CO 0.83 0.00 0.10 -1.59 -0.25 0.00 0.00 175.52 174.62 3i27 s LYS 194 N -3.16 1.43 -0.02 4.72 0.00 -0.75 -4.33 119.74 117.63 3i27 s LYS 194 Ca 0.08 -0.81 0.02 0.00 0.00 0.00 0.00 55.97 55.26 3i27 s LYS 194 Cb 0.10 0.55 0.00 0.00 0.00 0.00 0.00 37.83 38.48 3i27 s LYS 194 CO 0.65 -0.62 -0.06 -1.01 0.00 0.00 0.00 175.35 174.30 3i27 s HIS 195 N -3.86 0.66 -0.31 1.78 3.76 0.39 -1.15 115.29 116.57 3i27 s HIS 195 Ca 0.08 -0.14 -0.16 0.00 -0.15 0.00 0.00 55.06 54.68 3i27 s HIS 195 Cb -0.02 -0.48 -0.02 0.00 1.11 0.00 0.00 32.58 33.17 3i27 s HIS 195 CO -0.03 -0.06 0.43 -1.17 -0.85 0.00 0.00 174.74 173.06 3i27 s LEU 196 N 0.14 4.20 -0.06 0.89 0.20 -0.23 -0.77 118.68 123.05 3i27 s LEU 196 Ca -0.02 0.13 0.02 0.00 0.69 0.00 0.00 54.13 54.96 3i27 s LEU 196 Cb -0.06 -2.49 0.01 0.00 -0.43 0.00 0.00 46.19 43.22 3i27 s LEU 196 CO -0.00 -0.32 -0.11 -0.69 -0.29 0.00 0.00 176.35 174.94 3i27 s VAL 197 N 2.19 1.04 0.25 1.68 1.01 -0.58 -2.09 120.40 123.91 3i27 s VAL 197 Ca 0.16 -0.42 -0.24 0.00 0.00 0.00 0.00 61.98 61.48 3i27 s VAL 197 Cb -0.16 -0.97 -0.09 0.00 0.00 0.00 0.00 36.38 35.17 3i27 s VAL 197 CO 0.11 0.33 0.83 -2.16 0.00 0.00 0.00 175.10 174.21 3i27 s PRO 198 N 0.70 4.48 -0.20 2.72 0.04 -1.26 -0.85 135.00 140.63 3i27 s PRO 198 Ca -0.14 1.14 0.01 0.00 0.04 0.00 0.00 61.00 62.05 3i27 s PRO 198 Cb -0.16 -2.96 0.03 0.00 0.04 0.00 0.00 34.50 31.45 3i27 s PRO 198 CO 0.03 0.40 -0.16 0.12 0.04 0.00 0.00 177.00 177.43 3i27 s PHE 199 N -1.45 2.78 0.19 0.56 5.36 0.52 -4.66 117.98 121.29 3i27 s PHE 199 Ca 0.44 -1.74 0.04 0.00 -0.96 0.00 0.00 56.93 54.70 3i27 s PHE 199 Cb -0.19 -1.86 -0.05 0.00 -0.34 0.00 0.00 43.02 40.58 3i27 s PHE 199 CO 0.24 -0.80 -0.05 0.00 -1.46 0.00 0.00 175.22 173.14 3i27 s TYR 201 N -3.35 -0.24 -0.32 0.00 -0.85 -0.76 -4.94 117.35 106.90 3i27 s TYR 201 Ca 0.23 0.01 -0.13 0.00 -0.52 0.00 0.00 57.07 56.66 3i27 s TYR 201 Cb 0.04 0.59 -0.03 0.00 0.38 0.00 0.00 41.96 42.94 3i27 s TYR 201 CO 0.05 -0.69 0.27 -0.51 -1.52 0.00 0.00 175.55 173.14 3i27 s LEU 202 N -2.73 4.33 0.00 -3.49 1.43 -1.26 -1.43 118.68 115.53 3i27 s LEU 202 Ca 0.09 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.97 3i27 s LEU 202 Cb -0.01 -2.20 0.05 0.00 0.03 0.00 0.00 46.19 44.06 3i27 s LEU 202 CO -0.03 -0.20 0.32 -0.46 0.23 0.00 0.00 176.35 176.21 3i27 n ASN 203 N 5.17 0.31 -2.67 2.29 6.94 -0.30 -4.83 115.26 122.18 3i27 n ASN 203 Ca -0.12 -1.29 -0.08 0.00 -0.02 0.00 0.00 54.58 53.06 3i27 n ASN 203 Cb 0.50 -0.22 0.04 0.00 -2.36 0.00 0.00 39.78 37.74 3i27 n ASN 203 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3i27 n HIS 204 N -2.00 -1.75 -0.61 -2.53 8.25 -1.26 -3.97 115.22 111.35 3i27 n HIS 204 Ca 0.05 0.62 0.00 0.00 -0.26 0.00 0.00 57.72 58.13 3i27 n HIS 204 Cb 0.18 -3.55 0.00 0.00 1.12 0.00 0.00 29.99 27.74 3i27 n HIS 204 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i27 n GLY 205 N -1.36 -2.71 3.77 -1.41 0.00 -1.26 -4.72 105.19 97.51 3i27 n GLY 205 Ca -0.04 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 3i27 n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i27 s PHE 207 N -2.62 2.82 -0.35 0.00 5.36 0.36 -4.81 117.98 118.75 3i27 s PHE 207 Ca 0.64 -1.49 -0.29 0.00 -0.96 0.00 0.00 56.93 54.83 3i27 s PHE 207 Cb -0.19 -1.96 0.02 0.00 -0.34 0.00 0.00 43.02 40.55 3i27 s PHE 207 CO 0.49 -0.75 1.16 0.99 -1.46 0.00 0.00 175.22 175.64 3i27 s THR 208 N 1.33 4.33 -0.02 0.12 2.01 -1.26 -1.05 115.64 121.11 3i27 s THR 208 Ca 0.05 1.49 -0.29 0.00 0.31 0.00 0.00 61.69 63.25 3i27 s THR 208 Cb -0.13 -4.39 0.08 0.00 0.01 0.00 0.00 72.50 68.07 3i27 s THR 208 CO -0.11 -0.60 0.74 0.28 -0.69 0.00 0.00 174.62 174.23 3i27 s THR 209 N 4.06 0.00 -1.47 -0.82 -1.32 -0.35 -4.97 115.64 110.78 3i27 s THR 209 Ca 0.49 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.87 3i27 s THR 209 Cb -0.12 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.92 3i27 s THR 209 CO 0.21 0.00 0.85 0.61 -2.21 0.00 0.00 174.62 174.09 3i27 n GLY 210 N 0.46 -0.51 1.53 6.08 0.00 -1.26 -3.03 105.19 108.45 3i27 n GLY 210 Ca -0.16 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3i27 n GLY 210 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i27 n GLY 211 N -1.62 0.76 3.76 -0.02 0.00 -1.26 -5.03 105.19 101.78 3i27 n GLY 211 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3i27 n GLY 211 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i27 s SER 212 N -2.68 -0.20 -0.68 1.61 1.04 -1.17 -5.10 113.70 106.53 3i27 s SER 212 Ca 0.00 -0.72 -0.23 0.00 0.48 0.00 0.00 55.95 55.48 3i27 s SER 212 Cb 0.00 0.68 0.07 0.00 0.10 0.00 0.00 66.02 66.87 3i27 s SER 212 CO 0.00 -1.28 1.00 0.00 0.98 0.00 0.00 173.24 173.94 3i27 s LEU 214 N 4.16 4.48 0.35 0.00 1.43 -0.21 -4.69 118.68 124.20 3i27 s LEU 214 Ca 0.24 1.17 -0.28 0.00 -1.03 0.00 0.00 54.13 54.23 3i27 s LEU 214 Cb -0.16 -2.85 -0.12 0.00 0.03 0.00 0.00 46.19 43.10 3i27 s LEU 214 CO 0.10 0.23 1.29 -2.65 0.23 0.00 0.00 176.35 175.54 3i27 n PRO 215 N 2.08 2.10 -3.47 1.29 -0.02 -1.26 -0.48 135.00 135.24 3i27 n PRO 215 Ca -0.10 0.74 -0.43 0.00 -2.02 0.00 0.00 63.50 61.69 3i27 n PRO 215 Cb 0.51 -2.34 -0.08 0.00 -0.02 0.00 0.00 33.50 31.57 3i27 n PRO 215 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3i27 s PHE 216 N -1.11 3.29 -0.17 6.00 5.36 -0.46 -4.83 117.98 126.06 3i27 s PHE 216 Ca 0.56 -1.20 -0.05 0.00 -0.96 0.00 0.00 56.93 55.28 3i27 s PHE 216 Cb -0.56 -3.14 0.06 0.00 -0.34 0.00 0.00 43.02 39.04 3i27 s PHE 216 CO 0.62 -0.84 0.10 0.20 -1.46 0.00 0.00 175.22 173.84 3i27 s GLY 217 N 2.49 0.33 0.10 13.12 0.00 -1.26 -1.43 107.32 120.67 3i27 s GLY 217 Ca 0.04 -0.26 0.03 0.00 0.00 0.00 0.00 44.72 44.53 3i27 s GLY 217 CO 0.04 1.75 -0.09 -1.34 0.00 0.00 0.00 173.10 173.46 3i27 s VAL 218 N 2.15 0.90 0.05 1.40 -7.23 -0.69 -1.37 120.40 115.61 3i27 s VAL 218 Ca 0.02 -1.77 -0.27 0.00 -1.81 0.00 0.00 61.98 58.15 3i27 s VAL 218 Cb -0.16 -1.50 0.07 0.00 0.56 0.00 0.00 36.38 35.35 3i27 s VAL 218 CO -0.09 -0.67 0.64 -0.94 -0.31 0.00 0.00 175.10 173.73 3i27 s SER 219 N -2.69 -0.61 -0.18 4.85 1.04 -0.18 -1.55 113.70 114.37 3i27 s SER 219 Ca 0.08 0.38 -0.05 0.00 0.48 0.00 0.00 55.95 56.85 3i27 s SER 219 Cb -0.00 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 3i27 s SER 219 CO -0.01 -0.77 0.00 -0.31 0.98 0.00 0.00 173.24 173.13 3i27 s TYR 220 N -2.36 3.08 -0.03 5.02 2.02 -0.35 -0.45 117.35 124.27 3i27 s TYR 220 Ca -0.06 -0.27 -0.03 0.00 -0.37 0.00 0.00 57.07 56.34 3i27 s TYR 220 Cb -0.00 -2.04 0.01 0.00 -0.40 0.00 0.00 41.96 39.52 3i27 s TYR 220 CO -0.01 -0.08 0.09 0.08 -1.57 0.00 0.00 175.55 174.07 3i27 s VAL 221 N 0.65 -0.00 0.23 0.71 1.01 -0.34 -1.56 120.40 121.10 3i27 s VAL 221 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.03 3i27 s VAL 221 Cb -0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 3i27 s VAL 221 CO 0.02 0.00 0.18 -1.54 0.00 0.00 0.00 175.10 173.76 3i27 n SER 222 N 3.05 -0.28 -0.04 3.32 3.41 -0.34 0.03 113.62 122.77 3i27 n SER 222 Ca -0.13 -2.49 0.19 0.00 -0.26 0.00 0.00 58.87 56.19 3i27 n SER 222 Cb 0.59 1.08 0.64 0.00 -0.26 0.00 0.00 64.21 66.27 3i27 n SER 222 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3i27 h ASP 223 N 1.35 0.10 -0.13 4.04 3.32 -2.01 -2.90 116.42 120.20 3i27 h ASP 223 Ca -0.17 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3i27 h ASP 223 Cb 0.82 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.35 3i27 h ASP 223 CO 0.25 0.05 0.00 -1.54 -1.72 0.00 0.00 179.24 176.28 3i27 n SER 224 N -4.40 2.84 -3.69 6.45 3.41 -1.26 -5.02 113.62 111.94 3i27 n SER 224 Ca 0.11 -2.69 -0.12 0.00 -0.26 0.00 0.00 58.87 55.91 3i27 n SER 224 Cb 0.58 -0.35 -0.09 0.00 -0.26 0.00 0.00 64.21 64.09 3i27 n SER 224 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3i27 s PHE 225 N -2.22 -0.63 -0.08 7.33 5.36 -1.09 -5.14 117.98 121.51 3i27 s PHE 225 Ca 0.28 1.43 -0.03 0.00 -0.96 0.00 0.00 56.93 57.64 3i27 s PHE 225 Cb 0.22 0.26 0.04 0.00 -0.34 0.00 0.00 43.02 43.21 3i27 s PHE 225 CO 0.06 -0.32 0.17 -0.47 -1.46 0.00 0.00 175.22 173.20 3i27 s TYR 226 N 0.74 -0.21 -0.08 10.12 5.04 -1.26 -1.20 117.35 130.51 3i27 s TYR 226 Ca -0.04 0.56 -0.03 0.00 -2.44 0.00 0.00 57.07 55.12 3i27 s TYR 226 Cb -0.05 -0.06 0.04 0.00 0.35 0.00 0.00 41.96 42.25 3i27 s TYR 226 CO -0.05 -0.19 0.17 -0.47 -1.34 0.00 0.00 175.55 173.67 3i27 s TYR 227 N 1.23 -0.21 0.24 4.97 5.04 -0.60 -5.02 117.35 123.00 3i27 s TYR 227 Ca -0.09 0.58 -0.15 0.00 -2.44 0.00 0.00 57.07 54.98 3i27 s TYR 227 Cb -0.11 -0.08 0.00 0.00 0.35 0.00 0.00 41.96 42.12 3i27 s TYR 227 CO -0.07 -0.20 0.52 0.20 -1.34 0.00 0.00 175.55 174.66 3i27 s GLY 228 N 1.39 0.33 -0.03 8.97 0.00 -1.26 -1.22 107.32 115.50 3i27 s GLY 228 Ca -0.07 -0.68 -0.02 0.00 0.00 0.00 0.00 44.72 43.95 3i27 s GLY 228 CO -0.07 -0.49 0.07 -0.47 0.00 0.00 0.00 173.10 172.15 3i27 s TYR 229 N -3.98 -0.07 -0.07 1.90 5.04 -0.60 -5.02 117.35 114.56 3i27 s TYR 229 Ca 0.18 0.20 -0.04 0.00 -2.44 0.00 0.00 57.07 54.98 3i27 s TYR 229 Cb -0.02 -0.02 0.04 0.00 0.35 0.00 0.00 41.96 42.31 3i27 s TYR 229 CO 0.07 -0.06 0.17 -0.47 -1.34 0.00 0.00 175.55 173.92 3i27 s TYR 230 N 0.31 -0.20 -0.20 4.97 5.04 -1.26 -1.70 117.35 124.30 3i27 s TYR 230 Ca -0.02 0.55 -0.07 0.00 -2.44 0.00 0.00 57.07 55.08 3i27 s TYR 230 Cb -0.03 -0.03 0.09 0.00 0.35 0.00 0.00 41.96 42.33 3i27 s TYR 230 CO -0.01 -0.17 0.44 0.34 -1.34 0.00 0.00 175.55 174.81 3i27 s ASP 231 N 1.05 -0.34 0.00 4.32 -1.08 -0.52 -4.99 116.67 115.11 3i27 s ASP 231 Ca -0.08 1.03 0.08 0.00 -0.52 0.00 0.00 52.55 53.06 3i27 s ASP 231 Cb -0.10 1.37 0.16 0.00 -1.46 0.00 0.00 42.92 42.90 3i27 s ASP 231 CO -0.06 -0.23 1.02 0.00 0.52 0.00 0.00 175.17 176.43 3i27 n ALA 232 N 5.30 2.26 -2.06 3.66 0.00 -1.26 -1.35 120.51 127.06 3i27 n ALA 232 Ca -0.10 -0.90 -0.41 0.00 0.00 0.00 0.00 53.44 52.03 3i27 n ALA 232 Cb 0.50 -0.30 -0.05 0.00 0.00 0.00 0.00 19.45 19.61 3i27 n ALA 232 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3i27 s THR 233 N -0.88 4.10 1.00 0.00 -4.23 -1.26 -4.30 115.64 110.07 3i27 s THR 233 Ca 0.14 1.86 -0.13 0.00 -1.18 0.00 0.00 61.69 62.37 3i27 s THR 233 Cb 0.08 -4.18 0.10 0.00 1.34 0.00 0.00 72.50 69.83 3i27 s THR 233 CO 0.11 0.34 0.54 -2.65 -0.54 0.00 0.00 174.62 172.42 3i27 n PRO 234 N 2.28 -0.81 0.00 3.99 -0.02 -1.26 -1.13 135.00 138.04 3i27 n PRO 234 Ca 0.01 -0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 3i27 n PRO 234 Cb 0.47 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3i27 n PRO 234 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3i27 n THR 239 N -4.05 0.00 -2.93 3.45 5.66 -1.26 -4.83 114.28 110.32 3i27 n THR 239 Ca 0.06 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.64 3i27 n THR 239 Cb 0.55 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.28 3i27 n THR 239 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 3i27 s GLU 240 N 0.00 3.84 0.04 1.09 2.12 -1.26 -5.05 118.70 119.48 3i27 s GLU 240 Ca 0.00 0.44 0.08 0.00 0.36 0.00 0.00 54.97 55.86 3i27 s GLU 240 Cb 0.00 -3.78 -0.03 0.00 0.26 0.00 0.00 34.13 30.58 3i27 s GLU 240 CO 0.00 -0.80 -0.23 0.45 -0.54 0.00 0.00 175.26 174.14 3i27 s SER 241 N 1.76 3.41 -0.04 -1.70 0.15 -1.26 -5.13 113.70 110.90 3i27 s SER 241 Ca 0.33 -0.52 -0.08 0.00 0.70 0.00 0.00 55.95 56.38 3i27 s SER 241 Cb -0.13 -0.42 0.01 0.00 -1.71 0.00 0.00 66.02 63.77 3i27 s SER 241 CO 0.15 0.26 0.18 -1.00 1.20 0.00 0.00 173.24 174.04 3i27 s HIS 242 N -0.84 -0.12 -0.07 3.44 3.76 -1.26 -4.65 115.29 115.54 3i27 s HIS 242 Ca 0.13 0.27 -0.02 0.00 -0.15 0.00 0.00 55.06 55.29 3i27 s HIS 242 Cb -0.10 0.03 -0.04 0.00 1.11 0.00 0.00 32.58 33.59 3i27 s HIS 242 CO 0.03 -0.19 0.03 -0.51 -0.85 0.00 0.00 174.74 173.25 3i27 s ASP 243 N -0.53 5.47 -0.36 1.40 1.01 -1.25 -0.68 116.67 121.72 3i27 s ASP 243 Ca -0.06 0.19 -0.28 0.00 0.71 0.00 0.00 52.55 53.10 3i27 s ASP 243 Cb -0.04 -1.58 0.02 0.00 1.01 0.00 0.00 42.92 42.33 3i27 s ASP 243 CO 0.01 0.36 1.06 -0.47 0.21 0.00 0.00 175.17 176.35 3i27 s TYR 244 N -0.96 3.07 -0.01 4.23 5.04 -1.26 -1.15 117.35 126.30 3i27 s TYR 244 Ca 0.15 1.02 0.08 0.00 -2.44 0.00 0.00 57.07 55.88 3i27 s TYR 244 Cb -0.12 -3.84 -0.02 0.00 0.35 0.00 0.00 41.96 38.33 3i27 s TYR 244 CO 0.05 -0.88 -0.24 0.08 -1.34 0.00 0.00 175.55 173.21 3i27 s VAL 245 N 3.79 1.91 0.07 3.14 1.01 -0.51 -4.88 120.40 124.93 3i27 s VAL 245 Ca 0.45 -1.06 0.06 0.00 0.00 0.00 0.00 61.98 61.42 3i27 s VAL 245 Cb -0.11 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3i27 s VAL 245 CO 0.19 0.51 -0.15 0.00 0.00 0.00 0.00 175.10 175.65 3i27 s ASP 247 N -1.73 3.55 -0.28 0.00 1.01 0.75 -4.94 116.67 115.03 3i27 s ASP 247 Ca -0.00 -0.64 -0.04 0.00 0.71 0.00 0.00 52.55 52.58 3i27 s ASP 247 Cb -0.10 -0.38 0.02 0.00 1.01 0.00 0.00 42.92 43.47 3i27 s ASP 247 CO 0.03 0.19 0.02 -0.31 0.21 0.00 0.00 175.17 175.31 3i27 s TYR 248 N -1.05 3.13 -0.06 4.23 1.51 -1.26 -0.36 117.35 123.49 3i27 s TYR 248 Ca 0.15 -1.29 -0.01 0.00 -1.01 0.00 0.00 57.07 54.92 3i27 s TYR 248 Cb -0.10 -2.17 -0.03 0.00 -0.11 0.00 0.00 41.96 39.55 3i27 s TYR 248 CO 0.07 -0.66 -0.00 -0.51 -1.11 0.00 0.00 175.55 173.34 3i27 s LEU 249 N 1.41 3.52 -0.34 -1.29 1.43 -0.03 -4.89 118.68 118.50 3i27 s LEU 249 Ca 0.01 0.08 -0.29 0.00 -1.03 0.00 0.00 54.13 52.90 3i27 s LEU 249 Cb -0.17 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.19 3i27 s LEU 249 CO -0.01 0.34 1.07 0.12 0.23 0.00 0.00 176.35 178.11 3i27 s PHE 250 N -0.95 3.12 -0.04 0.29 5.36 -1.26 -1.53 117.98 122.97 3i27 s PHE 250 Ca 0.15 1.12 0.04 0.00 -0.96 0.00 0.00 56.93 57.28 3i27 s PHE 250 Cb -0.11 -3.75 0.00 0.00 -0.34 0.00 0.00 43.02 38.82 3i27 s PHE 250 CO 0.05 -0.81 -0.14 -1.64 -1.46 0.00 0.00 175.22 171.21 3i27 s MET 251 N 3.70 1.57 0.57 10.12 -1.94 0.05 -4.97 119.30 128.40 3i27 s MET 251 Ca 0.45 -0.51 -0.17 0.00 -1.71 0.00 0.00 55.69 53.76 3i27 s MET 251 Cb -0.12 -1.37 -0.05 0.00 2.01 0.00 0.00 34.83 35.30 3i27 s MET 251 CO 0.17 0.18 1.05 -1.21 -0.01 0.00 0.00 175.02 175.20 3i27 s GLU 252 N 0.17 3.45 0.66 2.03 2.02 -1.26 -0.46 118.70 125.31 3i27 s GLU 252 Ca -0.05 1.22 -0.17 0.00 0.02 0.00 0.00 54.97 55.99 3i27 s GLU 252 Cb -0.11 -2.05 -0.03 0.00 0.10 0.00 0.00 34.13 32.03 3i27 s GLU 252 CO 0.02 -0.71 0.80 -0.35 0.02 0.00 0.00 175.26 175.05 3i27 n PRO 253 N -1.80 0.58 0.00 0.39 -0.04 -1.26 -4.84 135.00 128.03 3i27 n PRO 253 Ca 0.09 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 3i27 n PRO 253 Cb 0.53 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 3i27 n PRO 253 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i27 n GLY 254 N 1.39 1.03 3.71 0.55 0.00 -0.59 -5.00 105.19 106.29 3i27 n GLY 254 Ca 0.13 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 3i27 n GLY 254 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i27 s THR 255 N -1.54 5.01 0.19 2.61 2.01 -1.26 -1.12 115.64 121.54 3i27 s THR 255 Ca 0.00 0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.12 3i27 s THR 255 Cb 0.00 -3.23 -0.05 0.00 0.01 0.00 0.00 72.50 69.23 3i27 s THR 255 CO 0.00 0.51 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.98 3i27 s TYR 256 N -0.09 1.72 -0.08 4.92 2.02 -0.20 -4.83 117.35 120.81 3i27 s TYR 256 Ca 0.08 -0.55 -0.19 0.00 -0.37 0.00 0.00 57.07 56.04 3i27 s TYR 256 Cb -0.12 -0.81 -0.04 0.00 -0.40 0.00 0.00 41.96 40.58 3i27 s TYR 256 CO 0.01 0.35 0.53 -0.80 -1.57 0.00 0.00 175.55 174.07 3i27 s ASN 257 N -3.14 6.80 -0.50 2.29 0.01 0.10 -0.83 114.94 119.68 3i27 s ASN 257 Ca 0.20 0.96 -0.20 0.00 -0.71 0.00 0.00 52.86 53.12 3i27 s ASN 257 Cb -0.02 -2.32 0.05 0.00 0.41 0.00 0.00 41.25 39.37 3i27 s ASN 257 CO 0.07 0.03 0.65 0.00 -1.51 0.00 0.00 177.10 176.33 3i27 s ALA 258 N 0.36 3.36 0.12 0.60 0.00 0.62 -1.19 121.76 125.62 3i27 s ALA 258 Ca 0.29 -1.61 0.05 0.00 0.00 0.00 0.00 51.96 50.68 3i27 s ALA 258 Cb -0.16 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 3i27 s ALA 258 CO 0.13 -2.00 0.04 -1.12 0.00 0.00 0.00 175.76 172.81 3i27 s SER 259 N 2.58 5.16 0.01 0.00 0.01 0.41 -1.61 113.70 120.26 3i27 s SER 259 Ca 0.17 -0.17 -0.01 0.00 1.31 0.00 0.00 55.95 57.25 3i27 s SER 259 Cb -0.18 -1.26 -0.02 0.00 0.21 0.00 0.00 66.02 64.77 3i27 s SER 259 CO 0.14 0.14 -0.01 0.28 0.41 0.00 0.00 173.24 174.20 3i27 s THR 260 N -1.47 0.09 -1.19 1.44 -1.32 0.10 -1.01 115.64 112.27 3i27 s THR 260 Ca 0.28 -0.76 0.24 0.00 -1.21 0.00 0.00 61.69 60.24 3i27 s THR 260 Cb -0.11 -0.24 0.30 0.00 -1.51 0.00 0.00 72.50 70.94 3i27 s THR 260 CO 0.20 -0.42 1.79 1.33 -2.21 0.00 0.00 174.62 175.31 3i27 n VAL 261 N 1.81 0.29 0.00 5.08 0.24 -0.47 -1.97 118.33 123.32 3i27 n VAL 261 Ca -0.22 0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 3i27 n VAL 261 Cb 0.56 -0.66 0.00 0.00 -1.47 0.00 0.00 33.84 32.26 3i27 n VAL 261 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i27 n GLY 262 N 0.89 4.79 5.00 7.63 0.00 -1.26 -3.78 105.19 118.46 3i27 n GLY 262 Ca 0.08 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3i27 n GLY 262 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i27 n LYS 263 N -1.94 0.00 -3.22 1.61 3.00 -1.20 -4.79 118.16 111.62 3i27 n LYS 263 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.92 3i27 n LYS 263 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 3i27 n LYS 263 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3i27 s PHE 264 N 0.00 3.66 -0.08 5.64 0.40 -1.26 0.08 117.98 126.42 3i27 s PHE 264 Ca 0.00 1.16 0.02 0.00 -0.60 0.00 0.00 56.93 57.51 3i27 s PHE 264 Cb 0.00 -2.60 0.01 0.00 0.51 0.00 0.00 43.02 40.95 3i27 s PHE 264 CO 0.00 0.33 -0.13 -1.17 0.70 0.00 0.00 175.22 174.95 3i27 s LEU 265 N -0.08 1.63 -0.10 -0.37 2.96 -0.14 -4.68 118.68 117.91 3i27 s LEU 265 Ca 0.30 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 3i27 s LEU 265 Cb -0.18 -0.88 0.02 0.00 0.50 0.00 0.00 46.19 45.65 3i27 s LEU 265 CO 0.16 0.02 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.44 3i27 s VAL 266 N 0.79 1.02 -0.01 1.68 1.01 -1.26 -1.56 120.40 122.07 3i27 s VAL 266 Ca -0.12 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 3i27 s VAL 266 Cb -0.15 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.23 3i27 s VAL 266 CO 0.02 0.36 0.24 -0.72 0.00 0.00 0.00 175.10 175.00 3i27 s TYR 267 N 1.40 -0.09 0.38 5.22 -0.85 -1.03 -4.71 117.35 117.66 3i27 s TYR 267 Ca -0.01 0.11 -0.25 0.00 -0.52 0.00 0.00 57.07 56.40 3i27 s TYR 267 Cb -0.13 0.04 -0.09 0.00 0.38 0.00 0.00 41.96 42.15 3i27 s TYR 267 CO -0.05 -0.34 1.06 -1.25 -1.52 0.00 0.00 175.55 173.45 3i27 s PRO 268 N -1.31 4.24 -0.00 -3.49 0.04 -1.26 -0.46 135.00 132.75 3i27 s PRO 268 Ca -0.14 1.57 0.04 0.00 0.04 0.00 0.00 61.00 62.52 3i27 s PRO 268 Cb -0.06 -2.66 -0.05 0.00 0.04 0.00 0.00 34.50 31.77 3i27 s PRO 268 CO 0.03 -0.09 0.14 0.25 0.04 0.00 0.00 177.00 177.37 3i27 n THR 269 N 0.15 0.00 -4.07 1.26 -2.24 -1.26 -4.85 114.28 103.27 3i27 n THR 269 Ca 0.04 -0.29 -0.07 0.00 -2.27 0.00 0.00 64.05 61.45 3i27 n THR 269 Cb 0.49 0.79 -0.10 0.00 -2.10 0.00 0.00 70.33 69.40 3i27 n THR 269 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i27 s LYS 270 N -1.70 0.57 0.08 -0.78 1.02 -1.26 -0.60 119.74 117.08 3i27 s LYS 270 Ca 0.00 -1.14 -0.16 0.00 0.02 0.00 0.00 55.97 54.69 3i27 s LYS 270 Cb 0.03 0.20 0.03 0.00 -0.52 0.00 0.00 37.83 37.57 3i27 s LYS 270 CO 0.17 -0.10 0.39 -1.54 -0.92 0.00 0.00 175.35 173.34 3i27 s SER 271 N -2.74 -0.23 -0.47 2.83 1.04 -0.71 -4.68 113.70 108.74 3i27 s SER 271 Ca 0.04 -0.18 -0.23 0.00 0.48 0.00 0.00 55.95 56.06 3i27 s SER 271 Cb 0.06 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.64 3i27 s SER 271 CO -0.09 -0.74 0.82 -0.31 0.98 0.00 0.00 173.24 173.90 3i27 s TYR 272 N -3.11 2.95 -0.04 5.02 1.51 -0.89 -0.50 117.35 122.29 3i27 s TYR 272 Ca -0.01 0.12 -0.30 0.00 -1.01 0.00 0.00 57.07 55.87 3i27 s TYR 272 Cb 0.01 -3.76 -0.03 0.00 -0.11 0.00 0.00 41.96 38.07 3i27 s TYR 272 CO -0.07 -1.06 1.13 0.00 -1.11 0.00 0.00 175.55 174.43 3i27 s MET 274 N 1.83 0.95 0.12 0.00 -1.94 -0.30 -0.69 119.30 119.26 3i27 s MET 274 Ca 0.54 -1.05 0.01 0.00 -1.71 0.00 0.00 55.69 53.48 3i27 s MET 274 Cb -0.23 -1.04 0.02 0.00 2.01 0.00 0.00 34.83 35.59 3i27 s MET 274 CO 0.23 0.23 0.16 -0.40 -0.01 0.00 0.00 175.02 175.24 3i27 n ASP 275 N 1.15 0.36 -4.32 3.03 5.68 -1.15 -0.01 116.55 121.29 3i27 n ASP 275 Ca -0.20 -1.27 -0.30 0.00 -0.50 0.00 0.00 54.79 52.52 3i27 n ASP 275 Cb 0.54 -0.09 -0.15 0.00 -1.14 0.00 0.00 41.12 40.27 3i27 n ASP 275 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3i27 s THR 276 N 0.10 2.04 0.19 2.12 2.01 -1.26 -4.14 115.64 116.69 3i27 s THR 276 Ca 0.12 -1.23 0.10 0.00 0.31 0.00 0.00 61.69 60.99 3i27 s THR 276 Cb -0.01 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 3i27 s THR 276 CO 0.08 0.45 -0.21 0.00 -0.69 0.00 0.00 174.62 174.25 3i27 s MET 277 N -0.92 1.42 -0.49 4.92 0.23 -0.82 -4.67 119.30 118.97 3i27 s MET 277 Ca 0.10 -1.50 0.01 0.00 -1.03 0.00 0.00 55.69 53.28 3i27 s MET 277 Cb -0.10 -1.58 0.51 0.00 -1.53 0.00 0.00 34.83 32.13 3i27 s MET 277 CO 0.01 0.33 1.92 0.09 -2.03 0.00 0.00 175.02 175.33 3i27 n ASN 278 N 0.17 5.38 -4.08 -1.18 3.02 -1.26 -4.70 115.26 112.61 3i27 n ASN 278 Ca -0.12 -3.53 -0.11 0.00 -0.03 0.00 0.00 54.58 50.79 3i27 n ASN 278 Cb 0.57 -0.89 -0.11 0.00 -0.61 0.00 0.00 39.78 38.74 3i27 n ASN 278 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3i27 s ILE 279 N -3.57 0.46 -0.31 2.41 -4.36 -1.26 -5.13 121.20 109.44 3i27 s ILE 279 Ca 0.54 -1.33 -0.03 0.00 -0.26 0.00 0.00 60.65 59.57 3i27 s ILE 279 Cb 0.44 -0.90 0.05 0.00 1.25 0.00 0.00 42.46 43.30 3i27 s ILE 279 CO 0.05 -0.59 0.03 -0.89 0.24 0.00 0.00 174.94 173.78 3i27 s THR 280 N -2.20 3.23 -0.20 8.37 2.01 -1.26 -4.49 115.64 121.09 3i27 s THR 280 Ca -0.04 -1.30 0.01 0.00 0.31 0.00 0.00 61.69 60.67 3i27 s THR 280 Cb -0.04 -2.84 0.03 0.00 0.01 0.00 0.00 72.50 69.65 3i27 s THR 280 CO -0.02 -0.12 -0.17 -0.69 -0.69 0.00 0.00 174.62 172.92 3i27 s VAL 281 N 1.30 2.15 0.42 3.82 1.01 -0.44 -5.03 120.40 123.63 3i27 s VAL 281 Ca -0.04 -1.07 -0.26 0.00 0.00 0.00 0.00 61.98 60.61 3i27 s VAL 281 Cb -0.20 -1.98 -0.09 0.00 0.00 0.00 0.00 36.38 34.11 3i27 s VAL 281 CO 0.00 0.41 1.45 -2.65 0.00 0.00 0.00 175.10 174.32 3i27 n PRO 282 N 4.59 2.42 -2.24 2.72 -0.02 -1.26 -4.30 135.00 136.90 3i27 n PRO 282 Ca -0.19 0.86 -0.26 0.00 -2.02 0.00 0.00 63.50 61.88 3i27 n PRO 282 Cb 0.48 -2.64 0.10 0.00 -0.02 0.00 0.00 33.50 31.42 3i27 n PRO 282 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3i27 s VAL 283 N -1.16 2.18 -0.06 -1.45 -7.23 -0.70 -4.70 120.40 107.28 3i27 s VAL 283 Ca 0.58 -0.30 0.04 0.00 -1.81 0.00 0.00 61.98 60.49 3i27 s VAL 283 Cb -0.46 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 33.59 3i27 s VAL 283 CO 0.60 0.00 -0.17 -1.10 -0.31 0.00 0.00 175.10 174.12 3i27 s GLN 284 N -5.36 1.96 -0.04 4.82 -0.21 -0.22 -0.40 119.66 120.22 3i27 s GLN 284 Ca 0.65 -0.60 0.02 0.00 0.02 0.00 0.00 55.36 55.45 3i27 s GLN 284 Cb -0.08 -1.64 0.01 0.00 1.00 0.00 0.00 33.01 32.30 3i27 s GLN 284 CO 0.46 0.18 -0.09 0.00 -2.12 0.00 0.00 175.29 173.73 3i27 s ALA 285 N 0.24 0.92 -0.12 6.09 0.00 -0.56 -0.07 121.76 128.26 3i27 s ALA 285 Ca -0.09 -0.30 -0.09 0.00 0.00 0.00 0.00 51.96 51.48 3i27 s ALA 285 Cb -0.14 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 3i27 s ALA 285 CO 0.04 0.11 0.18 0.08 0.00 0.00 0.00 175.76 176.17 3i27 s VAL 286 N 0.41 5.42 0.05 0.00 1.01 -0.07 -1.24 120.40 125.99 3i27 s VAL 286 Ca -0.07 0.31 -0.35 0.00 0.00 0.00 0.00 61.98 61.88 3i27 s VAL 286 Cb -0.11 -3.47 -0.14 0.00 0.00 0.00 0.00 36.38 32.66 3i27 s VAL 286 CO 0.01 0.57 1.63 1.67 0.00 0.00 0.00 175.10 178.98 3i27 n GLN 287 N 2.31 1.93 -4.02 2.72 -0.06 -0.69 -4.60 117.38 114.96 3i27 n GLN 287 Ca -0.18 0.70 -0.31 0.00 -2.00 0.00 0.00 57.00 55.21 3i27 n GLN 287 Cb 0.54 -2.46 -0.15 0.00 -4.06 0.00 0.00 30.24 24.11 3i27 n GLN 287 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3i27 s SER 288 N 1.87 4.76 0.24 1.69 0.15 -1.26 -4.86 113.70 116.29 3i27 s SER 288 Ca 0.85 -2.12 0.01 0.00 0.70 0.00 0.00 55.95 55.39 3i27 s SER 288 Cb -0.75 -1.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 3i27 s SER 288 CO 0.45 -0.37 0.12 0.27 1.20 0.00 0.00 173.24 174.91 3i27 s ILE 289 N 0.91 0.31 0.33 6.45 -4.36 -1.26 -3.83 121.20 119.75 3i27 s ILE 289 Ca 0.10 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.49 3i27 s ILE 289 Cb -0.19 -2.57 -0.04 0.00 1.25 0.00 0.00 42.46 40.92 3i27 s ILE 289 CO -0.08 0.00 0.53 0.26 0.24 0.00 0.00 174.94 175.90 3i27 s TRP 290 N -3.88 3.50 0.98 1.37 0.23 -1.26 -4.97 118.94 114.90 3i27 s TRP 290 Ca 0.38 0.37 -0.15 0.00 -2.03 0.00 0.00 56.10 54.67 3i27 s TRP 290 Cb 0.07 -1.90 -0.05 0.00 0.03 0.00 0.00 33.47 31.61 3i27 s TRP 290 CO 0.14 0.15 -0.20 -1.13 0.96 0.00 0.00 176.95 176.87 3i27 n SER 291 N -1.61 -3.98 0.30 2.95 3.41 -1.26 -4.51 113.62 108.92 3i27 n SER 291 Ca -0.05 0.25 0.17 0.00 -0.26 0.00 0.00 58.87 58.98 3i27 n SER 291 Cb 0.56 -0.98 0.96 0.00 -0.26 0.00 0.00 64.21 64.48 3i27 n SER 291 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3i27 h GLU 292 N -1.30 0.00 0.00 4.33 4.81 -1.94 -1.53 114.58 118.95 3i27 h GLU 292 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3i27 h GLU 292 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3i27 h GLU 292 CO 0.29 0.03 0.00 0.00 -0.73 0.00 0.00 179.01 178.60 3i27 n GLN 293 N -3.48 0.14 -4.24 1.92 10.64 -1.26 -4.82 117.38 116.28 3i27 n GLN 293 Ca -0.02 0.24 -0.23 0.00 -1.83 0.00 0.00 57.00 55.16 3i27 n GLN 293 Cb 0.13 -1.71 -0.07 0.00 -0.86 0.00 0.00 30.24 27.73 3i27 n GLN 293 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3i27 s TYR 294 N -3.13 2.67 -0.33 2.61 1.51 -0.58 -5.10 117.35 115.00 3i27 s TYR 294 Ca 0.09 -0.31 -0.20 0.00 -1.01 0.00 0.00 57.07 55.63 3i27 s TYR 294 Cb 0.12 -1.39 -0.00 0.00 -0.11 0.00 0.00 41.96 40.58 3i27 s TYR 294 CO 0.46 0.50 0.62 0.00 -1.11 0.00 0.00 175.55 176.03 3i27 s ALA 295 N -2.39 3.49 0.52 3.71 0.00 -1.26 -4.84 121.76 120.98 3i27 s ALA 295 Ca 0.34 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.59 3i27 s ALA 295 Cb -0.04 -3.13 0.03 0.00 0.00 0.00 0.00 23.12 19.98 3i27 s ALA 295 CO 0.21 -1.22 0.45 -1.12 0.00 0.00 0.00 175.76 174.07 3i27 s SER 296 N 1.73 4.77 0.37 0.00 0.01 -1.26 -1.35 113.70 117.96 3i27 s SER 296 Ca 0.24 -1.09 0.05 0.00 1.31 0.00 0.00 55.95 56.46 3i27 s SER 296 Cb -0.15 0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 3i27 s SER 296 CO 0.13 -1.03 0.19 1.51 0.41 0.00 0.00 173.24 174.45 3i27 s ASP 297 N -4.29 2.22 -0.31 2.44 -4.77 -1.26 -4.66 116.67 106.04 3i27 s ASP 297 Ca 0.41 -1.69 0.08 0.00 -3.30 0.00 0.00 52.55 48.04 3i27 s ASP 297 Cb -0.03 0.52 0.46 0.00 -1.09 0.00 0.00 42.92 42.78 3i27 s ASP 297 CO 0.25 -0.98 1.34 -0.67 0.70 0.00 0.00 175.17 175.81 3i27 n ASP 298 N -1.35 3.83 -0.37 2.11 2.03 -1.26 -4.76 116.55 116.79 3i27 n ASP 298 Ca -0.00 -3.80 0.03 0.00 0.52 0.00 0.00 54.79 51.53 3i27 n ASP 298 Cb 0.64 -0.51 0.18 0.00 -0.72 0.00 0.00 41.12 40.71 3i27 n ASP 298 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i27 h ALA 299 N 1.61 1.41 -0.22 -1.67 0.00 -1.97 0.30 119.26 118.72 3i27 h ALA 299 Ca 0.27 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3i27 h ALA 299 Cb 1.37 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3i27 h ALA 299 CO 0.57 0.44 0.01 0.82 0.00 0.00 0.00 179.25 181.09 3i27 h ILE 300 N 1.18 1.25 -0.22 0.00 1.08 -1.95 0.10 117.51 118.94 3i27 h ILE 300 Ca 0.43 -0.84 -0.04 0.00 -0.39 0.00 0.00 64.86 64.03 3i27 h ILE 300 Cb 0.17 1.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 3i27 h ILE 300 CO -0.17 0.26 -0.02 1.23 -0.69 0.00 0.00 178.15 178.76 3i27 h GLY 301 N 0.16 0.36 1.95 5.37 0.00 -1.78 0.38 103.07 109.50 3i27 h GLY 301 Ca 0.06 -0.19 -0.20 0.00 0.00 0.00 0.00 47.33 47.00 3i27 h GLY 301 CO 0.01 0.18 -0.97 1.46 0.00 0.00 0.00 176.54 177.22 3i27 h GLN 302 N 0.32 0.00 0.15 4.80 1.08 -0.65 -3.32 115.11 117.49 3i27 h GLN 302 Ca 0.07 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.98 3i27 h GLN 302 Cb 0.26 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.70 3i27 h GLN 302 CO 0.01 0.90 -1.36 0.00 -0.95 0.00 0.00 178.83 177.43 3i27 h ALA 303 N 1.07 0.08 -2.23 3.87 0.00 -0.48 -3.43 119.26 118.14 3i27 h ALA 303 Ca -0.02 -0.93 -0.72 0.00 0.00 0.00 0.00 54.91 53.23 3i27 h ALA 303 Cb 1.73 0.11 -0.20 0.00 0.00 0.00 0.00 17.79 19.42 3i27 h ALA 303 CO 0.12 0.95 0.57 0.00 0.00 0.00 0.00 179.25 180.89 3i27 s LYS 305 N 1.83 1.14 0.56 0.00 1.02 -1.25 -4.39 119.74 118.65 3i27 s LYS 305 Ca 0.27 -1.31 -0.21 0.00 0.02 0.00 0.00 55.97 54.74 3i27 s LYS 305 Cb -0.07 -1.11 -0.04 0.00 -0.52 0.00 0.00 37.83 36.08 3i27 s LYS 305 CO -0.09 0.22 1.32 0.00 -0.92 0.00 0.00 175.35 175.88 3i27 n ALA 306 N 0.45 1.41 1.10 5.17 0.00 -1.23 -1.84 120.51 125.57 3i27 n ALA 306 Ca -0.15 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.52 3i27 n ALA 306 Cb 0.57 -2.33 0.31 0.00 0.00 0.00 0.00 19.45 18.00 3i27 n ALA 306 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i27 n PRO 307 N -1.11 2.03 0.01 0.00 -0.04 -1.26 -4.87 135.00 129.76 3i27 n PRO 307 Ca 0.11 -1.51 0.11 0.00 -0.04 0.00 0.00 63.50 62.17 3i27 n PRO 307 Cb 0.45 -1.46 0.03 0.00 -0.04 0.00 0.00 33.50 32.48 3i27 n PRO 307 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3i27 n TYR 308 N 0.80 0.06 -3.70 0.54 0.18 -0.98 -4.74 117.16 109.32 3i27 n TYR 308 Ca 0.17 0.02 -0.12 0.00 1.88 0.00 0.00 57.90 59.85 3i27 n TYR 308 Cb 0.47 -0.20 -0.10 0.00 -0.38 0.00 0.00 39.34 39.14 3i27 n TYR 308 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3i27 s ILE 310 N 0.83 4.75 -0.22 0.00 1.01 0.47 -3.57 121.20 124.46 3i27 s ILE 310 Ca -0.05 -0.66 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 3i27 s ILE 310 Cb -0.05 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 3i27 s ILE 310 CO -0.07 -0.15 0.22 0.12 0.00 0.00 0.00 174.94 175.07 3i27 s PHE 311 N 1.60 3.35 -0.46 3.97 5.36 -1.26 -1.49 117.98 129.05 3i27 s PHE 311 Ca 0.03 0.35 -0.08 0.00 -0.96 0.00 0.00 56.93 56.27 3i27 s PHE 311 Cb -0.18 -2.32 0.11 0.00 -0.34 0.00 0.00 43.02 40.29 3i27 s PHE 311 CO 0.07 0.08 0.32 0.71 -1.46 0.00 0.00 175.22 174.94 3i27 s TYR 312 N 1.01 3.44 0.57 10.12 2.02 -0.37 -4.92 117.35 129.22 3i27 s TYR 312 Ca 0.11 -1.91 -0.13 0.00 -0.37 0.00 0.00 57.07 54.77 3i27 s TYR 312 Cb -0.13 -3.41 -0.05 0.00 -0.40 0.00 0.00 41.96 37.96 3i27 s TYR 312 CO 0.05 -0.98 0.99 1.21 -1.57 0.00 0.00 175.55 175.25 3i27 s ASN 313 N 2.52 6.37 0.15 2.29 3.84 -1.26 -1.71 114.94 127.15 3i27 s ASN 313 Ca 0.06 1.43 -0.25 0.00 0.21 0.00 0.00 52.86 54.31 3i27 s ASN 313 Cb -0.25 -2.47 -0.08 0.00 -0.55 0.00 0.00 41.25 37.90 3i27 s ASN 313 CO -0.01 -0.74 0.77 -0.54 -2.79 0.00 0.00 177.10 173.79 3i27 s LYS 314 N -4.74 4.56 0.00 0.43 1.02 -1.26 -4.87 119.74 114.88 3i27 s LYS 314 Ca 0.56 1.15 0.22 0.00 0.02 0.00 0.00 55.97 57.91 3i27 s LYS 314 Cb -0.11 -3.27 -0.13 0.00 -0.52 0.00 0.00 37.83 33.80 3i27 s LYS 314 CO 0.45 0.55 0.96 0.25 -0.92 0.00 0.00 175.35 176.64 3i27 n THR 315 N 1.71 0.00 -4.49 2.17 -2.24 -1.26 -4.98 114.28 105.19 3i27 n THR 315 Ca -0.05 -0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.48 3i27 n THR 315 Cb 0.49 0.89 -0.10 0.00 -2.10 0.00 0.00 70.33 69.51 3i27 n THR 315 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3i27 s THR 316 N -3.00 2.31 1.00 4.28 -4.23 -1.26 -5.14 115.64 109.60 3i27 s THR 316 Ca 0.08 -2.31 -0.11 0.00 -1.18 0.00 0.00 61.69 58.17 3i27 s THR 316 Cb 0.16 -2.44 0.19 0.00 1.34 0.00 0.00 72.50 71.76 3i27 s THR 316 CO 0.85 -0.32 1.09 -2.84 -0.54 0.00 0.00 174.62 172.85 3i27 s PRO 317 N -3.57 0.38 -0.45 3.99 0.02 -1.26 -4.93 135.00 129.19 3i27 s PRO 317 Ca 0.31 1.08 -0.28 0.00 0.02 0.00 0.00 61.00 62.13 3i27 s PRO 317 Cb -0.01 -1.69 -0.01 0.00 0.02 0.00 0.00 34.50 32.80 3i27 s PRO 317 CO 0.15 -2.92 1.76 -0.47 -0.33 0.00 0.00 177.00 175.19 3i27 s TYR 318 N -2.66 1.84 -0.12 6.54 5.04 -1.26 -4.93 117.35 121.81 3i27 s TYR 318 Ca 0.66 0.69 -0.02 0.00 -2.44 0.00 0.00 57.07 55.97 3i27 s TYR 318 Cb -0.22 -4.14 0.04 0.00 0.35 0.00 0.00 41.96 37.98 3i27 s TYR 318 CO 0.60 -2.57 -0.00 0.99 -1.34 0.00 0.00 175.55 173.23 3i27 s THR 319 N 7.47 0.55 -0.20 4.34 2.01 -1.26 -4.49 115.64 124.06 3i27 s THR 319 Ca 0.72 -0.16 -0.03 0.00 0.31 0.00 0.00 61.69 62.53 3i27 s THR 319 Cb -0.17 -0.78 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 3i27 s THR 319 CO 0.29 0.14 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.60 3i27 s VAL 320 N 1.89 3.25 -0.04 3.82 1.01 -1.26 -1.76 120.40 127.31 3i27 s VAL 320 Ca 0.03 -0.55 0.10 0.00 0.00 0.00 0.00 61.98 61.57 3i27 s VAL 320 Cb -0.14 -2.45 -0.15 0.00 0.00 0.00 0.00 36.38 33.64 3i27 s VAL 320 CO -0.07 0.45 0.18 0.35 0.00 0.00 0.00 175.10 176.01 3i27 n THR 321 N 4.50 0.20 -3.05 3.92 -2.24 -1.26 -4.84 114.28 111.52 3i27 n THR 321 Ca -0.18 -0.30 -0.17 0.00 -2.27 0.00 0.00 64.05 61.13 3i27 n THR 321 Cb 0.51 -0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 3i27 n THR 321 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3i27 n ASN 322 N -2.02 -0.43 -2.20 3.42 5.15 -1.26 -5.11 115.26 112.80 3i27 n ASN 322 Ca -0.06 -3.10 -0.10 0.00 -0.60 0.00 0.00 54.58 50.72 3i27 n ASN 322 Cb 0.44 0.18 -0.04 0.00 -0.53 0.00 0.00 39.78 39.83 3i27 n ASN 322 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i27 n GLY 323 N 0.77 3.33 0.11 8.20 0.00 -1.26 -4.95 105.19 111.39 3i27 n GLY 323 Ca 0.18 -1.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.42 3i27 n GLY 323 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i27 h SER 324 N 1.11 0.00 -2.22 1.61 4.64 -1.19 -3.48 113.55 114.02 3i27 h SER 324 Ca -0.13 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.25 3i27 h SER 324 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 3i27 h SER 324 CO 0.19 0.75 0.35 -0.90 -0.87 0.00 0.00 176.83 176.34 3i27 n ASP 325 N -3.56 -1.47 0.10 4.97 5.68 -1.25 -5.02 116.55 116.01 3i27 n ASP 325 Ca -0.00 -1.88 0.09 0.00 -0.50 0.00 0.00 54.79 52.49 3i27 n ASP 325 Cb 0.75 2.41 0.41 0.00 -1.14 0.00 0.00 41.12 43.55 3i27 n ASP 325 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i27 n ALA 326 N -1.27 1.37 -0.64 2.12 0.00 -1.26 -2.48 120.51 118.35 3i27 n ALA 326 Ca -0.11 0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.48 3i27 n ALA 326 Cb 0.44 -1.28 0.15 0.00 0.00 0.00 0.00 19.45 18.76 3i27 n ALA 326 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i27 n ASN 327 N -2.00 2.86 -3.59 0.00 3.02 -1.26 -4.56 115.26 109.74 3i27 n ASN 327 Ca 0.01 -2.61 -0.21 0.00 -0.03 0.00 0.00 54.58 51.73 3i27 n ASN 327 Cb 0.12 -0.33 -0.16 0.00 -0.61 0.00 0.00 39.78 38.81 3i27 n ASN 327 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3i27 s HIS 328 N -2.08 -0.04 0.00 3.10 3.76 -1.04 -4.91 115.29 114.09 3i27 s HIS 328 Ca 0.27 0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.25 3i27 s HIS 328 Cb 0.21 -0.49 0.00 0.00 1.11 0.00 0.00 32.58 33.41 3i27 s HIS 328 CO 0.07 -0.47 0.00 0.41 -0.85 0.00 0.00 174.74 173.90 3i27 n GLY 329 N 5.30 0.91 3.73 -2.22 0.00 -1.26 -2.69 105.19 108.96 3i27 n GLY 329 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3i27 n GLY 329 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i27 s ASP 330 N -0.76 6.68 0.12 1.61 3.68 -1.26 -4.34 116.67 122.40 3i27 s ASP 330 Ca 0.00 2.55 -0.14 0.00 2.13 0.00 0.00 52.55 57.09 3i27 s ASP 330 Cb 0.00 -2.60 -0.05 0.00 -1.45 0.00 0.00 42.92 38.81 3i27 s ASP 330 CO 0.00 -0.73 1.48 0.44 0.13 0.00 0.00 175.17 176.49 3i27 h ASP 331 N 6.15 0.80 0.49 -0.34 3.32 -1.71 -1.49 116.42 123.65 3i27 h ASP 331 Ca -0.44 -0.43 -0.02 0.00 0.02 0.00 0.00 57.03 56.16 3i27 h ASP 331 Cb 1.21 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3i27 h ASP 331 CO 0.85 1.06 -0.24 -0.08 -1.72 0.00 0.00 179.24 179.11 3i27 h GLU 332 N 0.56 -0.63 -0.74 3.56 4.81 -1.92 -2.26 114.58 117.96 3i27 h GLU 332 Ca 0.07 0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 3i27 h GLU 332 Cb 0.78 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.27 3i27 h GLU 332 CO 0.06 -0.42 0.21 0.28 -0.73 0.00 0.00 179.01 178.42 3i27 h VAL 333 N -0.67 1.26 -0.88 0.32 2.07 -1.91 -1.18 116.25 115.26 3i27 h VAL 333 Ca -0.07 -0.94 0.17 0.00 0.82 0.00 0.00 66.70 66.69 3i27 h VAL 333 Cb 0.51 0.47 -0.10 0.00 -1.52 0.00 0.00 31.29 30.65 3i27 h VAL 333 CO 0.11 0.37 0.45 0.03 0.02 0.00 0.00 177.57 178.54 3i27 h ARG 334 N 1.10 0.56 -0.29 1.57 3.08 -1.21 0.97 114.38 120.17 3i27 h ARG 334 Ca 0.24 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.13 3i27 h ARG 334 Cb 0.33 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3i27 h ARG 334 CO -0.00 0.37 -0.29 1.98 -1.07 0.00 0.00 179.97 180.96 3i27 h MET 335 N 0.58 0.71 -0.70 0.04 4.05 -0.73 -2.93 114.93 115.94 3i27 h MET 335 Ca 0.51 -0.38 0.05 0.00 -0.28 0.00 0.00 59.70 59.60 3i27 h MET 335 Cb 0.80 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.57 3i27 h MET 335 CO -0.41 0.99 0.42 0.52 0.23 0.00 0.00 176.91 178.66 3i27 h MET 336 N 0.46 0.77 0.00 0.39 2.86 -0.43 -2.79 114.93 116.19 3i27 h MET 336 Ca 0.05 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3i27 h MET 336 Cb 0.86 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.35 3i27 h MET 336 CO 0.07 0.51 0.00 0.52 1.06 0.00 0.00 176.91 179.07 3i27 h MET 337 N 0.79 0.00 -0.40 1.72 2.07 -0.79 -1.22 114.93 117.10 3i27 h MET 337 Ca 0.30 0.00 0.12 0.00 -2.07 0.00 0.00 59.70 58.05 3i27 h MET 337 Cb 0.12 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.83 3i27 h MET 337 CO -0.15 0.00 0.42 1.96 1.07 0.00 0.00 176.91 180.21 3i27 h GLN 338 N 0.00 0.00 -0.03 1.72 1.08 -1.30 -1.77 115.11 114.81 3i27 h GLN 338 Ca 0.00 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 3i27 h GLN 338 Cb 0.64 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.07 3i27 h GLN 338 CO 0.00 0.00 0.03 0.78 -0.95 0.00 0.00 178.83 178.69 3i27 h GLY 339 N 0.00 0.00 1.74 3.46 0.00 -1.36 -0.12 103.07 106.79 3i27 h GLY 339 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3i27 h GLY 339 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 3i27 n LEU 340 N -4.27 0.00 -0.51 3.11 4.77 -0.66 -1.97 117.00 117.46 3i27 n LEU 340 Ca -0.02 0.37 0.12 0.00 -0.03 0.00 0.00 56.01 56.44 3i27 n LEU 340 Cb 0.12 -0.37 0.08 0.00 -2.33 0.00 0.00 43.42 40.92 3i27 n LEU 340 CO 0.32 -0.17 0.42 0.18 -1.33 0.00 0.00 177.39 176.80 3i27 n LEU 341 N -1.37 1.98 -4.90 2.23 4.77 -0.06 -4.81 117.00 114.84 3i27 n LEU 341 Ca 0.06 -0.70 -0.28 0.00 -0.03 0.00 0.00 56.01 55.06 3i27 n LEU 341 Cb 0.15 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3i27 n LEU 341 CO 0.13 0.36 0.48 -0.13 -1.33 0.00 0.00 177.39 176.91 3i27 s ARG 342 N -2.41 3.57 -0.36 3.23 0.52 -0.83 -5.03 118.95 117.64 3i27 s ARG 342 Ca 0.21 0.31 -0.29 0.00 -0.52 0.00 0.00 55.73 55.44 3i27 s ARG 342 Cb 0.19 -2.33 0.02 0.00 0.52 0.00 0.00 34.95 33.34 3i27 s ARG 342 CO 0.52 -0.24 1.12 1.21 0.02 0.00 0.00 175.30 177.93 3i27 s ASN 343 N -4.03 6.83 -0.00 0.23 2.47 -1.26 -4.79 114.94 114.39 3i27 s ASN 343 Ca 0.49 0.92 0.02 0.00 0.42 0.00 0.00 52.86 54.71 3i27 s ASN 343 Cb -0.10 -2.54 -0.01 0.00 -1.45 0.00 0.00 41.25 37.14 3i27 s ASN 343 CO 0.45 -1.00 -0.07 -0.44 -3.72 0.00 0.00 177.10 172.32 3i27 s SER 344 N 1.98 0.80 0.00 -4.21 0.01 -1.26 -3.15 113.70 107.87 3i27 s SER 344 Ca 0.47 -0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.59 3i27 s SER 344 Cb -0.11 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.04 3i27 s SER 344 CO 0.20 0.06 0.43 -1.20 0.41 0.00 0.00 173.24 173.15 3i27 n SER 345 N 2.81 0.88 -3.78 2.44 7.64 0.79 -4.34 113.62 120.05 3i27 n SER 345 Ca -0.14 -0.94 -0.16 0.00 1.01 0.00 0.00 58.87 58.65 3i27 n SER 345 Cb 0.57 0.20 -0.16 0.00 -1.01 0.00 0.00 64.21 63.81 3i27 n SER 345 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i27 s ILE 347 N 1.08 1.70 0.27 0.00 -1.09 -0.33 -1.92 121.20 120.91 3i27 s ILE 347 Ca -0.09 -0.80 -0.13 0.00 -2.23 0.00 0.00 60.65 57.40 3i27 s ILE 347 Cb -0.13 -1.51 0.00 0.00 -1.58 0.00 0.00 42.46 39.24 3i27 s ILE 347 CO -0.03 0.48 0.52 -0.94 -1.23 0.00 0.00 174.94 173.75 3i27 s SER 348 N 0.60 -0.02 0.35 3.58 1.04 -0.91 -1.20 113.70 117.13 3i27 s SER 348 Ca -0.14 -0.96 0.27 0.00 0.48 0.00 0.00 55.95 55.60 3i27 s SER 348 Cb -0.17 0.62 1.13 0.00 0.10 0.00 0.00 66.02 67.71 3i27 s SER 348 CO 0.05 -1.21 1.80 -0.65 0.98 0.00 0.00 173.24 174.20 3i27 h PRO 349 N 2.20 0.00 0.00 4.02 0.11 -1.77 -0.07 132.00 136.49 3i27 h PRO 349 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3i27 h PRO 349 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3i27 h PRO 349 CO 0.35 0.00 -0.15 1.04 -0.21 0.00 0.00 178.00 179.03 3i27 n GLN 350 N -2.49 0.21 0.00 1.05 3.00 -1.26 -4.86 117.38 113.03 3i27 n GLN 350 Ca 0.01 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 3i27 n GLN 350 Cb 0.24 -1.71 0.00 0.00 0.00 0.00 0.00 30.24 28.77 3i27 n GLN 350 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i27 n GLY 351 N 1.36 0.18 3.82 1.08 0.00 -0.04 -3.59 105.19 108.00 3i27 n GLY 351 Ca 0.05 -2.27 -0.27 0.00 0.00 0.00 0.00 46.02 43.53 3i27 n GLY 351 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i27 s SER 352 N -4.00 5.66 0.02 1.61 1.04 -0.78 -2.15 113.70 115.10 3i27 s SER 352 Ca 0.00 -0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.38 3i27 s SER 352 Cb 0.00 -1.52 -0.02 0.00 0.10 0.00 0.00 66.02 64.58 3i27 s SER 352 CO 0.00 0.08 -0.04 0.42 0.98 0.00 0.00 173.24 174.68 3i27 s THR 353 N -1.69 0.25 1.07 2.02 -4.23 -0.81 -0.83 115.64 111.42 3i27 s THR 353 Ca 0.31 -0.85 -0.14 0.00 -1.18 0.00 0.00 61.69 59.83 3i27 s THR 353 Cb -0.11 -0.35 0.22 0.00 1.34 0.00 0.00 72.50 73.61 3i27 s THR 353 CO 0.24 -0.39 1.10 -2.16 -0.54 0.00 0.00 174.62 172.87 3i27 s PRO 354 N -1.30 -0.13 0.14 3.99 0.04 -1.19 -0.15 135.00 136.40 3i27 s PRO 354 Ca -0.12 0.33 -0.32 0.00 0.04 0.00 0.00 61.00 60.94 3i27 s PRO 354 Cb -0.09 -1.69 -0.11 0.00 0.04 0.00 0.00 34.50 32.65 3i27 s PRO 354 CO -0.00 -3.07 1.80 -0.11 0.04 0.00 0.00 177.00 175.65 3i27 n LEU 355 N -4.38 3.96 -3.60 -3.56 7.94 -1.26 -4.52 117.00 111.58 3i27 n LEU 355 Ca 0.07 1.01 -0.08 0.00 -1.11 0.00 0.00 56.01 55.90 3i27 n LEU 355 Cb 0.58 -1.54 -0.02 0.00 0.53 0.00 0.00 43.42 42.97 3i27 n LEU 355 CO 0.54 0.14 0.55 0.00 -1.11 0.00 0.00 177.39 177.52 3i27 s ALA 356 N 2.26 -1.59 -0.07 1.96 0.00 -1.26 -4.90 121.76 118.16 3i27 s ALA 356 Ca 0.80 0.38 -0.23 0.00 0.00 0.00 0.00 51.96 52.92 3i27 s ALA 356 Cb -0.51 0.71 -0.30 0.00 0.00 0.00 0.00 23.12 23.03 3i27 s ALA 356 CO 0.36 -0.86 0.83 -0.07 0.00 0.00 0.00 175.76 176.02 3i27 h LEU 357 N 2.00 0.36 -8.39 0.00 3.38 -1.94 -3.36 115.31 107.37 3i27 h LEU 357 Ca -0.26 -0.95 -0.61 0.00 0.09 0.00 0.00 57.88 56.16 3i27 h LEU 357 Cb 1.26 -0.12 -0.30 0.00 0.09 0.00 0.00 40.66 41.59 3i27 h LEU 357 CO 0.30 1.34 -0.86 -0.31 0.09 0.00 0.00 178.44 179.01 3i27 s TYR 358 N -2.39 1.93 -0.11 1.13 1.51 -1.26 -1.65 117.35 116.51 3i27 s TYR 358 Ca -0.15 -0.46 -0.06 0.00 -1.01 0.00 0.00 57.07 55.39 3i27 s TYR 358 Cb 0.00 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.55 3i27 s TYR 358 CO 0.79 -0.10 0.10 0.45 -1.11 0.00 0.00 175.55 175.68 3i27 s SER 359 N -0.28 6.04 0.06 2.29 0.15 -0.23 -1.37 113.70 120.36 3i27 s SER 359 Ca 0.03 0.36 0.20 0.00 0.70 0.00 0.00 55.95 57.23 3i27 s SER 359 Cb -0.10 -1.90 0.81 0.00 -1.71 0.00 0.00 66.02 63.12 3i27 s SER 359 CO 0.01 0.39 1.61 0.35 1.20 0.00 0.00 173.24 176.80 3i27 n THR 360 N 2.11 0.77 -4.04 6.45 -2.24 0.22 -1.39 114.28 116.15 3i27 n THR 360 Ca -0.19 0.17 -0.09 0.00 -2.27 0.00 0.00 64.05 61.66 3i27 n THR 360 Cb 0.54 -0.92 -0.09 0.00 -2.10 0.00 0.00 70.33 67.77 3i27 n THR 360 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3i27 s GLU 361 N -3.07 0.95 0.20 -0.78 -1.05 -1.26 -4.89 118.70 108.80 3i27 s GLU 361 Ca 0.08 -1.27 -0.30 0.00 -0.15 0.00 0.00 54.97 53.33 3i27 s GLU 361 Cb 0.11 0.29 -0.09 0.00 -0.44 0.00 0.00 34.13 34.01 3i27 s GLU 361 CO 0.36 -0.29 1.25 1.41 0.95 0.00 0.00 175.26 178.93 3i27 s MET 362 N -3.98 4.45 -0.17 -4.83 -2.45 -1.26 -4.74 119.30 106.32 3i27 s MET 362 Ca 0.17 1.97 -0.04 0.00 -1.25 0.00 0.00 55.69 56.54 3i27 s MET 362 Cb 0.06 -3.21 -0.03 0.00 1.25 0.00 0.00 34.83 32.90 3i27 s MET 362 CO -0.02 -0.15 -0.02 0.42 1.05 0.00 0.00 175.02 176.30 3i27 s ILE 363 N -0.11 3.95 0.43 10.11 1.01 -1.26 -4.94 121.20 130.39 3i27 s ILE 363 Ca 0.54 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.89 3i27 s ILE 363 Cb -0.35 -2.75 0.04 0.00 0.01 0.00 0.00 42.46 39.41 3i27 s ILE 363 CO 0.38 0.48 0.30 -1.22 0.00 0.00 0.00 174.94 174.88 3i27 n TYR 364 N 3.68 -0.66 -4.06 3.97 4.01 -1.26 -5.07 117.16 117.77 3i27 n TYR 364 Ca -0.17 -1.83 -0.28 0.00 -0.16 0.00 0.00 57.90 55.46 3i27 n TYR 364 Cb 0.52 -0.34 -0.05 0.00 -0.31 0.00 0.00 39.34 39.15 3i27 n TYR 364 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3i27 s GLU 365 N -3.74 2.96 0.43 -0.72 2.02 -1.26 -4.13 118.70 114.26 3i27 s GLU 365 Ca 0.23 -0.78 -0.21 0.00 0.02 0.00 0.00 54.97 54.23 3i27 s GLU 365 Cb -0.02 -2.71 -0.11 0.00 0.10 0.00 0.00 34.13 31.39 3i27 s GLU 365 CO 0.14 0.51 0.95 -1.25 0.02 0.00 0.00 175.26 175.63 3i27 s PRO 366 N -2.90 4.21 0.05 0.39 0.04 -1.26 -4.82 135.00 130.71 3i27 s PRO 366 Ca 0.31 1.10 -0.01 0.00 0.04 0.00 0.00 61.00 62.44 3i27 s PRO 366 Cb -0.11 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 3i27 s PRO 366 CO 0.24 -0.04 -0.03 0.54 0.04 0.00 0.00 177.00 177.75 3i27 s ASN 367 N -2.22 0.48 0.12 6.66 2.20 -1.26 -3.81 114.94 117.11 3i27 s ASN 367 Ca 0.62 -0.98 -0.09 0.00 -0.94 0.00 0.00 52.86 51.47 3i27 s ASN 367 Cb -0.09 0.20 -0.01 0.00 -2.00 0.00 0.00 41.25 39.35 3i27 s ASN 367 CO 0.14 -0.59 0.23 -0.72 -2.94 0.00 0.00 177.10 173.21 3i27 s TYR 368 N -3.85 0.27 0.00 1.54 -0.85 -0.34 -4.99 117.35 109.13 3i27 s TYR 368 Ca 0.06 -0.67 0.00 0.00 -0.52 0.00 0.00 57.07 55.94 3i27 s TYR 368 Cb 0.07 -0.07 0.00 0.00 0.38 0.00 0.00 41.96 42.35 3i27 s TYR 368 CO -0.10 -0.62 0.00 0.41 -1.52 0.00 0.00 175.55 173.72 3i27 n GLY 369 N -0.13 -0.38 3.27 5.49 0.00 -1.26 -1.19 105.19 110.99 3i27 n GLY 369 Ca -0.12 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 3i27 n GLY 369 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i27 s SER 370 N -4.00 5.03 -0.01 1.61 0.15 -0.08 -4.96 113.70 111.43 3i27 s SER 370 Ca 0.00 -0.96 -0.01 0.00 0.70 0.00 0.00 55.95 55.68 3i27 s SER 370 Cb 0.00 -1.82 -0.04 0.00 -1.71 0.00 0.00 66.02 62.45 3i27 s SER 370 CO 0.00 -0.24 0.07 0.00 1.20 0.00 0.00 173.24 174.28 3i27 s PRO 372 N -1.64 3.00 0.15 0.00 0.04 -1.26 -4.99 135.00 130.31 3i27 s PRO 372 Ca 0.22 1.27 -0.01 0.00 0.04 0.00 0.00 61.00 62.52 3i27 s PRO 372 Cb -0.12 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3i27 s PRO 372 CO 0.12 -1.08 0.34 -0.65 0.04 0.00 0.00 177.00 175.78 3i27 s GLN 373 N -4.19 3.52 0.14 4.56 -0.21 -0.66 -4.63 119.66 118.19 3i27 s GLN 373 Ca 0.65 -0.33 -0.31 0.00 0.02 0.00 0.00 55.36 55.38 3i27 s GLN 373 Cb -0.18 -2.90 -0.10 0.00 1.00 0.00 0.00 33.01 30.83 3i27 s GLN 373 CO 0.41 0.47 1.75 0.12 -2.12 0.00 0.00 175.29 175.92 3i27 s PHE 374 N -1.73 2.47 0.32 0.91 5.99 -1.26 -1.07 117.98 123.60 3i27 s PHE 374 Ca 0.38 0.18 0.04 0.00 0.00 0.00 0.00 56.93 57.54 3i27 s PHE 374 Cb -0.12 -4.11 0.65 0.00 0.00 0.00 0.00 43.02 39.45 3i27 s PHE 374 CO 0.28 -4.43 1.87 0.10 -0.00 0.00 0.00 175.22 173.03 3i27 h TYR 375 N 7.93 0.99 0.00 10.12 -0.00 -1.56 -2.33 116.97 132.12 3i27 h TYR 375 Ca -0.44 0.03 -0.03 0.00 -0.00 0.00 0.00 58.73 58.28 3i27 h TYR 375 Cb 1.21 -0.32 -0.00 0.00 -0.00 0.00 0.00 36.73 37.62 3i27 h TYR 375 CO 0.74 0.41 -0.15 0.87 -0.00 0.00 0.00 178.16 180.03 3i27 h LYS 376 N 0.88 0.00 0.00 0.10 1.57 -1.90 -1.78 116.57 115.45 3i27 h LYS 376 Ca 0.45 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.23 3i27 h LYS 376 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 3i27 h LYS 376 CO -0.22 0.15 -0.03 -0.07 -0.57 0.00 0.00 179.45 178.71 3i27 h LEU 377 N 0.00 0.00 -2.98 2.94 3.38 -1.80 -2.69 115.31 114.16 3i27 h LEU 377 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i27 h LEU 377 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3i27 h LEU 377 CO 0.02 0.03 0.00 0.49 0.09 0.00 0.00 178.44 179.07 3i27 n PHE 378 N -3.49 0.75 -2.38 1.13 3.01 -0.67 -5.03 117.46 110.78 3i27 n PHE 378 Ca -0.02 -0.59 -0.41 0.00 1.01 0.00 0.00 57.45 57.44 3i27 n PHE 378 Cb 0.14 -0.11 -0.04 0.00 -0.01 0.00 0.00 39.48 39.46 3i27 n PHE 378 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3i27 s ASP 379 N -1.17 7.12 -0.23 4.37 2.15 -1.02 -4.95 116.67 122.95 3i27 s ASP 379 Ca 0.33 2.32 0.10 0.00 0.43 0.00 0.00 52.55 55.74 3i27 s ASP 379 Cb 0.21 -2.62 0.43 0.00 -0.30 0.00 0.00 42.92 40.63 3i27 s ASP 379 CO 0.17 -0.29 1.21 0.35 -0.17 0.00 0.00 175.17 176.45 3i27 n THR 380 N 1.62 2.27 0.03 1.71 -2.24 -1.26 -4.88 114.28 111.52 3i27 n THR 380 Ca 0.01 -3.45 -0.13 0.00 -2.27 0.00 0.00 64.05 58.21 3i27 n THR 380 Cb 0.44 -0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 68.23 3i27 n THR 380 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3i27 h SER 381 N 1.25 0.67 -1.97 3.42 0.02 -2.00 -3.48 113.55 111.47 3i27 h SER 381 Ca 0.08 -0.46 -0.62 0.00 -0.84 0.00 0.00 61.79 59.95 3i27 h SER 381 Cb 1.12 -0.20 -0.12 0.00 0.14 0.00 0.00 62.40 63.34 3i27 h SER 381 CO 0.16 1.23 1.07 -0.83 -1.14 0.00 0.00 176.83 177.32 3i27 s GLY 382 N -4.27 1.38 0.34 -3.77 0.00 -1.26 -4.98 107.32 94.77 3i27 s GLY 382 Ca -0.07 -2.15 0.24 0.00 0.00 0.00 0.00 44.72 42.74 3i27 s GLY 382 CO 0.87 2.39 1.62 3.43 0.00 0.00 0.00 173.10 181.41 3i27 h ASN 383 N 9.55 0.00 -0.02 1.64 2.35 -1.95 -3.55 115.58 123.60 3i27 h ASN 383 Ca 0.01 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3i27 h ASN 383 Cb 1.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.40 3i27 h ASN 383 CO 1.27 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 176.44