#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 4.05 0.16 1.09 0.02 -1.26 -4.75 135.00 134.31 3i27 s PRO 17 Ca 0.00 2.36 0.03 0.00 0.02 0.00 0.00 61.00 63.40 3i27 s PRO 17 Cb 0.00 -2.88 -0.03 0.00 0.02 0.00 0.00 34.50 31.61 3i27 s PRO 17 CO 0.00 -0.50 0.29 0.14 -0.33 0.00 0.00 177.00 176.60 3i27 s VAL 18 N -1.18 5.31 -0.20 3.83 -7.23 0.04 -4.66 120.40 116.31 3i27 s VAL 18 Ca 0.55 -0.73 -0.06 0.00 -1.81 0.00 0.00 61.98 59.93 3i27 s VAL 18 Cb -0.42 -3.76 -0.03 0.00 0.56 0.00 0.00 36.38 32.73 3i27 s VAL 18 CO 0.56 -0.13 0.02 -0.89 -0.31 0.00 0.00 175.10 174.35 3i27 s THR 19 N -1.78 4.13 0.38 5.32 2.01 -1.26 -0.39 115.64 124.05 3i27 s THR 19 Ca 0.34 -0.25 -0.28 0.00 0.31 0.00 0.00 61.69 61.81 3i27 s THR 19 Cb -0.11 -2.87 -0.11 0.00 0.01 0.00 0.00 72.50 69.42 3i27 s THR 19 CO 0.29 0.43 1.41 -2.65 -0.69 0.00 0.00 174.62 173.40 3i27 n PRO 20 N 4.17 2.44 -3.08 4.92 -0.02 -1.26 -4.88 135.00 137.29 3i27 n PRO 20 Ca -0.17 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 3i27 n PRO 20 Cb 0.52 -2.55 -0.06 0.00 -0.02 0.00 0.00 33.50 31.38 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 -1.12 3.10 -0.12 6.00 6.14 0.40 -4.80 117.35 126.96 3i27 s TYR 21 Ca 0.55 0.24 -0.29 0.00 0.64 0.00 0.00 57.07 58.21 3i27 s TYR 21 Cb -0.50 -3.29 -0.04 0.00 0.42 0.00 0.00 41.96 38.55 3i27 s TYR 21 CO 0.63 -0.75 1.62 -0.47 0.64 0.00 0.00 175.55 177.22 3i27 s TYR 22 N 2.85 2.08 0.00 4.97 6.14 -1.24 -1.60 117.35 130.55 3i27 s TYR 22 Ca 0.25 0.38 0.00 0.00 0.64 0.00 0.00 57.07 58.35 3i27 s TYR 22 Cb -0.14 -3.90 0.00 0.00 0.42 0.00 0.00 41.96 38.34 3i27 s TYR 22 CO 0.17 -3.38 0.00 0.41 0.64 0.00 0.00 175.55 173.39 3i27 n GLY 23 N 4.28 2.87 3.65 8.97 0.00 -1.26 -4.27 105.19 119.43 3i27 n GLY 23 Ca 0.18 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.99 0.54 0.22 1.61 0.04 -1.26 -4.07 135.00 130.10 3i27 s PRO 24 Ca 0.00 0.84 -0.07 0.00 0.04 0.00 0.00 61.00 61.81 3i27 s PRO 24 Cb 0.00 -1.72 0.03 0.00 0.04 0.00 0.00 34.50 32.85 3i27 s PRO 24 CO 0.00 -2.74 0.43 0.41 0.04 0.00 0.00 177.00 175.14 3i27 n GLY 25 N -0.52 1.56 3.28 0.56 0.00 -1.26 -3.49 105.19 105.32 3i27 n GLY 25 Ca 0.06 -1.20 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 3i27 n GLY 25 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3i27 s HIS 26 N -4.90 -0.30 -0.10 1.61 -3.43 -1.26 -4.94 115.29 101.97 3i27 s HIS 26 Ca 0.10 0.58 0.07 0.00 -0.80 0.00 0.00 55.06 55.01 3i27 s HIS 26 Cb -0.03 0.14 -0.24 0.00 -1.43 0.00 0.00 32.58 31.03 3i27 s HIS 26 CO 0.08 -0.36 0.45 -0.89 -2.00 0.00 0.00 174.74 172.02 3i27 n ILE 27 N 1.71 1.63 -4.53 -5.38 5.41 -1.26 -1.14 119.36 115.80 3i27 n ILE 27 Ca -0.19 -0.75 -0.26 0.00 1.00 0.00 0.00 62.75 62.56 3i27 n ILE 27 Cb 0.56 -1.20 -0.08 0.00 -0.71 0.00 0.00 39.64 38.21 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 -2.57 0.74 0.66 1.39 -4.23 -1.26 -4.52 115.64 105.85 3i27 s THR 28 Ca -0.12 -2.00 0.42 0.00 -1.18 0.00 0.00 61.69 58.81 3i27 s THR 28 Cb 0.07 -2.39 0.43 0.00 1.34 0.00 0.00 72.50 71.95 3i27 s THR 28 CO 0.80 0.00 2.33 2.19 -0.54 0.00 0.00 174.62 179.39 3i27 h PHE 29 N 1.79 0.00 -1.13 3.99 -0.00 -2.00 -3.38 116.94 116.21 3i27 h PHE 29 Ca -0.37 0.00 -0.75 0.00 -0.00 0.00 0.00 57.97 56.85 3i27 h PHE 29 Cb 1.27 0.00 -0.13 0.00 -0.00 0.00 0.00 35.95 37.09 3i27 h PHE 29 CO 1.37 0.00 2.22 -3.47 -0.00 0.00 0.00 178.31 178.43 3i27 n ASP 30 N -3.15 4.85 -4.12 -0.68 2.03 -1.26 -4.88 116.55 109.34 3i27 n ASP 30 Ca -0.03 -3.05 -0.10 0.00 0.52 0.00 0.00 54.79 52.13 3i27 n ASP 30 Cb 0.10 -1.52 -0.10 0.00 -0.72 0.00 0.00 41.12 38.88 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 1.03 0.73 0.13 -0.67 1.48 -1.26 -1.63 118.94 118.75 3i27 s TRP 31 Ca 0.41 -0.85 -0.05 0.00 -1.06 0.00 0.00 56.10 54.55 3i27 s TRP 31 Cb 0.10 -0.45 -0.02 0.00 -1.16 0.00 0.00 33.47 31.94 3i27 s TRP 31 CO -0.01 -0.19 0.16 0.00 -4.06 0.00 0.00 176.95 172.85 3i27 s GLY 33 N -2.98 1.54 -0.07 0.00 0.00 0.01 -0.78 107.32 105.03 3i27 s GLY 33 Ca 0.18 -1.46 0.04 0.00 0.00 0.00 0.00 44.72 43.47 3i27 s GLY 33 CO -0.01 -1.46 -0.19 -1.36 0.00 0.00 0.00 173.10 170.07 3i27 s PHE 34 N -1.22 2.06 0.00 1.90 0.08 -0.09 -0.77 117.98 119.94 3i27 s PHE 34 Ca 0.14 -0.75 -0.00 0.00 0.12 0.00 0.00 56.93 56.44 3i27 s PHE 34 Cb -0.09 -1.40 0.00 0.00 -0.57 0.00 0.00 43.02 40.95 3i27 s PHE 34 CO 0.06 -0.30 0.01 0.41 -0.10 0.00 0.00 175.22 175.30 3i27 n GLY 35 N 3.46 2.50 0.00 4.36 0.00 -0.39 -0.35 105.19 114.77 3i27 n GLY 35 Ca -0.20 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.52 0.30 -0.20 1.61 3.85 -1.23 -3.01 116.55 116.35 3i27 n ASP 36 Ca -0.00 0.00 0.22 0.00 -0.71 0.00 0.00 54.79 54.30 3i27 n ASP 36 Cb 0.01 0.00 0.59 0.00 -1.35 0.00 0.00 41.12 40.37 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 0.25 0.16 -1.12 4.64 -1.87 -1.34 113.55 114.27 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 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3i27 h SER 37 CO 0.00 0.10 0.00 0.54 -0.87 0.00 0.00 176.83 176.60 3i27 n ARG 38 N -4.43 0.54 -1.48 4.77 1.74 -1.26 -2.06 116.66 114.48 3i27 n ARG 38 Ca 0.18 0.03 0.04 0.00 -0.77 0.00 0.00 57.85 57.33 3i27 n ARG 38 Cb 0.76 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.73 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 -1.12 1.05 -4.14 0.55 3.41 -0.53 0.41 113.62 113.26 3i27 n SER 39 Ca 0.14 -2.10 -0.37 0.00 -0.26 0.00 0.00 58.87 56.29 3i27 n SER 39 Cb 0.11 -0.31 -0.11 0.00 -0.26 0.00 0.00 64.21 63.64 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 -2.09 5.29 0.27 4.04 -1.08 -0.87 -4.73 116.67 117.49 3i27 s ASP 40 Ca 0.34 -1.95 0.23 0.00 -0.52 0.00 0.00 52.55 50.65 3i27 s ASP 40 Cb 0.39 -1.84 1.01 0.00 -1.46 0.00 0.00 42.92 41.02 3i27 s ASP 40 CO -0.16 -0.54 1.70 0.00 0.52 0.00 0.00 175.17 176.69 3i27 n THR 42 N -2.25 0.56 -1.69 0.00 -2.24 -1.26 -4.73 114.28 102.67 3i27 n THR 42 Ca 0.02 -0.13 -0.44 0.00 -2.27 0.00 0.00 64.05 61.22 3i27 n THR 42 Cb 0.20 -0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 67.71 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 -2.12 3.29 0.29 3.42 2.85 -0.91 -4.86 115.26 117.23 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 0.37 -1.48 0.97 0.00 1.24 0.00 0.00 39.78 40.88 3i27 n ASN 43 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3i27 h PRO 44 N 5.52 0.00 -0.04 1.20 0.13 -1.91 -0.67 132.00 136.24 3i27 h PRO 44 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3i27 h PRO 44 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3i27 h PRO 44 CO 0.86 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.67 3i27 n GLN 45 N -3.63 1.54 -1.98 0.86 1.13 -1.26 -4.92 117.38 109.11 3i27 n GLN 45 Ca -0.02 -0.79 -0.38 0.00 -1.94 0.00 0.00 57.00 53.87 3i27 n GLN 45 Cb 0.13 -1.46 0.01 0.00 0.11 0.00 0.00 30.24 29.03 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 -1.91 5.79 0.00 1.08 0.15 -0.26 -1.55 113.70 117.00 3i27 s SER 46 Ca 0.38 2.61 0.26 0.00 0.70 0.00 0.00 55.95 59.90 3i27 s SER 46 Cb 0.20 -2.63 1.03 0.00 -1.71 0.00 0.00 66.02 62.92 3i27 s SER 46 CO 0.32 -1.20 1.73 -0.81 1.20 0.00 0.00 173.24 174.48 3i27 n PRO 47 N -0.58 1.60 0.16 5.44 -0.04 -1.26 -4.86 135.00 135.45 3i27 n PRO 47 Ca 0.08 -0.88 0.05 0.00 -0.04 0.00 0.00 63.50 62.71 3i27 n PRO 47 Cb 0.45 -1.45 0.52 0.00 -0.04 0.00 0.00 33.50 32.98 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 2.01 0.20 -0.00 0.54 2.86 -1.66 -2.21 114.93 116.67 3i27 h MET 48 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3i27 h MET 48 Cb 0.43 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3i27 h MET 48 CO 0.00 0.19 -0.05 -1.13 1.06 0.00 0.00 176.91 176.98 3i27 n SER 49 N -4.45 0.52 -4.84 1.22 3.41 -1.07 -2.68 113.62 105.73 3i27 n SER 49 Ca -0.01 -0.86 -0.34 0.00 -0.26 0.00 0.00 58.87 57.40 3i27 n SER 49 Cb 0.13 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 63.97 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 -2.25 4.21 0.00 1.04 1.43 -0.83 -4.29 118.68 117.98 3i27 s LEU 50 Ca 0.36 1.26 0.20 0.00 -1.03 0.00 0.00 54.13 54.91 3i27 s LEU 50 Cb 0.21 -3.75 -0.06 0.00 0.03 0.00 0.00 46.19 42.61 3i27 s LEU 50 CO 0.42 -0.06 0.94 0.47 0.23 0.00 0.00 176.35 178.34 3i27 n ASP 51 N 0.20 1.59 -4.80 2.29 8.00 0.17 -4.22 116.55 119.78 3i27 n ASP 51 Ca -0.00 -1.29 -0.22 0.00 0.71 0.00 0.00 54.79 53.99 3i27 n ASP 51 Cb 0.52 0.63 -0.05 0.00 -0.02 0.00 0.00 41.12 42.20 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 -2.39 3.70 0.23 0.53 -4.36 -1.21 -3.76 121.20 113.95 3i27 s ILE 52 Ca 0.14 -1.51 -0.30 0.00 -0.26 0.00 0.00 60.65 58.71 3i27 s ILE 52 Cb 0.15 -3.17 -0.10 0.00 1.25 0.00 0.00 42.46 40.59 3i27 s ILE 52 CO 0.58 -0.25 1.46 -2.84 0.24 0.00 0.00 174.94 174.13 3i27 s PRO 53 N -3.88 4.26 0.33 0.37 0.02 -1.26 -4.89 135.00 129.94 3i27 s PRO 53 Ca 0.37 2.30 0.12 0.00 0.02 0.00 0.00 61.00 63.80 3i27 s PRO 53 Cb -0.06 -3.13 0.98 0.00 0.02 0.00 0.00 34.50 32.32 3i27 s PRO 53 CO 0.24 -0.46 1.69 0.37 -0.33 0.00 0.00 177.00 178.51 3i27 h GLN 54 N 5.46 0.39 0.00 5.54 4.15 -1.98 -0.30 115.11 128.38 3i27 h GLN 54 Ca -0.45 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.95 3i27 h GLN 54 Cb 1.21 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.82 3i27 h GLN 54 CO 0.81 0.26 0.00 0.00 -1.93 0.00 0.00 178.83 177.97 3i27 n GLN 55 N -5.01 0.07 0.00 1.69 0.00 -1.26 -1.57 117.38 111.30 3i27 n GLN 55 Ca 0.29 0.28 0.12 0.00 0.00 0.00 0.00 57.00 57.70 3i27 n GLN 55 Cb 0.87 -1.62 0.26 0.00 0.00 0.00 0.00 30.24 29.75 3i27 n GLN 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3i27 n LEU 56 N -1.74 1.26 -0.33 2.61 4.77 -0.12 -4.41 117.00 119.04 3i27 n LEU 56 Ca 0.03 -0.38 0.19 0.00 -0.03 0.00 0.00 56.01 55.82 3i27 n LEU 56 Cb 0.21 -0.09 0.39 0.00 -2.33 0.00 0.00 43.42 41.60 3i27 n LEU 56 CO 0.17 0.24 1.09 0.00 -1.33 0.00 0.00 177.39 177.55 3i27 h PRO 58 N 0.39 0.00 0.00 0.00 0.11 -1.81 -1.84 132.00 128.85 3i27 h PRO 58 Ca 0.65 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.76 3i27 h PRO 58 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 3i27 h PRO 58 CO -0.57 0.00 -0.20 1.63 -0.21 0.00 0.00 178.00 178.65 3i27 n LYS 59 N -2.98 0.00 -4.18 1.05 4.76 0.09 -4.88 118.16 112.02 3i27 n LYS 59 Ca -0.02 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.09 3i27 n LYS 59 Cb 0.13 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.73 3i27 n LYS 59 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3i27 s PHE 60 N -3.00 3.20 -0.40 2.13 0.40 -0.69 -0.81 117.98 118.81 3i27 s PHE 60 Ca 0.13 0.16 -0.11 0.00 -0.60 0.00 0.00 56.93 56.50 3i27 s PHE 60 Cb 0.18 -1.71 0.04 0.00 0.51 0.00 0.00 43.02 42.04 3i27 s PHE 60 CO 0.60 0.51 0.25 0.45 0.70 0.00 0.00 175.22 177.73 3i27 s SER 61 N -1.62 5.80 -0.01 1.36 0.15 0.05 -4.92 113.70 114.51 3i27 s SER 61 Ca 0.21 -1.13 -0.11 0.00 0.70 0.00 0.00 55.95 55.62 3i27 s SER 61 Cb -0.12 -2.05 0.01 0.00 -1.71 0.00 0.00 66.02 62.16 3i27 s SER 61 CO 0.12 -0.45 0.22 -0.44 1.20 0.00 0.00 173.24 173.88 3i27 s SER 62 N 1.79 -0.08 -0.09 5.45 0.01 -1.26 -1.27 113.70 118.25 3i27 s SER 62 Ca 0.03 -0.05 -0.04 0.00 1.31 0.00 0.00 55.95 57.20 3i27 s SER 62 Cb -0.20 0.27 0.05 0.00 0.21 0.00 0.00 66.02 66.34 3i27 s SER 62 CO 0.06 -0.39 0.18 -0.75 0.41 0.00 0.00 173.24 172.74 3i27 s LYS 63 N -1.30 0.06 0.10 12.44 2.47 -1.17 -4.86 119.74 127.50 3i27 s LYS 63 Ca -0.14 0.57 -0.36 0.00 -1.56 0.00 0.00 55.97 54.49 3i27 s LYS 63 Cb -0.06 -0.22 -0.17 0.00 -1.46 0.00 0.00 37.83 35.92 3i27 s LYS 63 CO 0.03 -0.29 1.26 0.43 0.16 0.00 0.00 175.35 176.94 3i27 n SER 64 N 5.19 1.41 0.00 1.43 7.64 -1.26 -1.75 113.62 126.27 3i27 n SER 64 Ca -0.08 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.93 3i27 n SER 64 Cb 0.50 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 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 2.30 0.00 -4.97 6.43 7.64 -1.26 -4.79 113.62 118.97 3i27 n SER 65 Ca 0.18 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.87 3i27 n SER 65 Cb 0.20 -0.59 -0.00 0.00 -1.01 0.00 0.00 64.21 62.81 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 -2.87 5.50 0.17 6.43 0.15 -0.72 -4.35 113.70 118.01 3i27 s SER 66 Ca 0.00 -0.50 -0.10 0.00 0.70 0.00 0.00 55.95 56.05 3i27 s SER 66 Cb 0.00 -0.66 -0.00 0.00 -1.71 0.00 0.00 66.02 63.64 3i27 s SER 66 CO 0.00 -0.71 0.32 -0.94 1.20 0.00 0.00 173.24 173.11 3i27 s SER 67 N -4.28 -0.01 0.20 5.45 1.04 -1.26 -4.60 113.70 110.25 3i27 s SER 67 Ca 0.52 -0.80 -0.04 0.00 0.48 0.00 0.00 55.95 56.12 3i27 s SER 67 Cb -0.08 0.46 0.16 0.00 0.10 0.00 0.00 66.02 66.65 3i27 s SER 67 CO 0.31 -0.92 1.57 0.24 0.98 0.00 0.00 173.24 175.43 3i27 h MET 68 N 2.49 0.68 -0.08 4.02 2.86 -1.94 -1.66 114.93 121.29 3i27 h MET 68 Ca -0.31 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 56.98 3i27 h MET 68 Cb 1.23 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.89 3i27 h MET 68 CO 0.47 0.94 0.01 0.35 1.06 0.00 0.00 176.91 179.74 3i27 h PHE 69 N 0.57 0.14 -0.73 -0.22 3.57 -1.97 -2.17 116.94 116.13 3i27 h PHE 69 Ca 0.05 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3i27 h PHE 69 Cb 0.89 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 3i27 h PHE 69 CO 0.04 0.35 0.48 1.25 -2.23 0.00 0.00 178.31 178.21 3i27 h LEU 70 N -0.11 0.83 -0.90 0.59 6.46 -1.93 -2.79 115.31 117.47 3i27 h LEU 70 Ca 0.02 -0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.67 3i27 h LEU 70 Cb 0.29 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 3i27 h LEU 70 CO 0.00 0.60 -0.45 0.28 -0.62 0.00 0.00 178.44 178.25 3i27 h SER 71 N 0.98 0.00 -0.84 1.25 0.02 -1.29 0.24 113.55 113.91 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 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 3i27 h SER 71 CO -0.06 0.45 0.51 0.25 -1.14 0.00 0.00 176.83 176.84 3i27 h LEU 72 N 0.00 1.01 0.01 5.07 5.85 -1.11 -3.31 115.31 122.84 3i27 h LEU 72 Ca -0.00 -0.07 -0.33 0.00 0.84 0.00 0.00 57.88 58.32 3i27 h LEU 72 Cb 0.95 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 3i27 h LEU 72 CO 0.06 0.78 -2.04 1.41 -0.34 0.00 0.00 178.44 178.31 3i27 n HIS 73 N -4.44 0.60 -4.68 1.25 8.25 -0.91 -4.58 115.22 110.71 3i27 n HIS 73 Ca 0.09 0.20 -0.26 0.00 -0.26 0.00 0.00 57.72 57.49 3i27 n HIS 73 Cb 0.06 -1.10 -0.14 0.00 1.12 0.00 0.00 29.99 29.92 3i27 n HIS 73 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3i27 s TRP 74 N -2.55 1.83 0.00 4.41 0.51 0.03 -0.38 118.94 122.78 3i27 s TRP 74 Ca -0.11 -0.37 0.00 0.00 -2.12 0.00 0.00 56.10 53.50 3i27 s TRP 74 Cb 0.07 -1.09 0.00 0.00 -0.81 0.00 0.00 33.47 31.64 3i27 s TRP 74 CO 0.80 0.08 0.00 0.09 -0.51 0.00 0.00 176.95 177.42 3i27 n ASN 75 N 1.90 0.00 -4.71 2.95 3.02 -1.26 -4.38 115.26 112.78 3i27 n ASN 75 Ca -0.17 -0.82 -0.42 0.00 -0.03 0.00 0.00 54.58 53.14 3i27 n ASN 75 Cb 0.53 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.67 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 6.92 0.28 6.41 0.01 -1.26 -4.49 114.94 121.80 3i27 s ASN 76 Ca 0.00 2.17 0.00 0.00 -0.71 0.00 0.00 52.86 54.33 3i27 s ASN 76 Cb 0.00 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.06 3i27 s ASN 76 CO 0.00 -0.60 0.29 -1.00 -1.51 0.00 0.00 177.10 174.27 3i27 s HIS 77 N 1.36 1.28 0.17 2.20 3.76 -0.71 -5.00 115.29 118.34 3i27 s HIS 77 Ca 0.62 -1.40 -0.21 0.00 -0.15 0.00 0.00 55.06 53.93 3i27 s HIS 77 Cb -0.33 -0.45 0.09 0.00 1.11 0.00 0.00 32.58 33.00 3i27 s HIS 77 CO 0.29 -0.86 1.62 0.66 -0.85 0.00 0.00 174.74 175.60 3i27 h SER 78 N 2.31 -0.83 -0.61 1.40 4.64 -2.06 -1.44 113.55 116.96 3i27 h SER 78 Ca -0.30 0.17 -0.32 0.00 -0.47 0.00 0.00 61.79 60.87 3i27 h SER 78 Cb 1.24 0.42 -0.19 0.00 -0.31 0.00 0.00 62.40 63.56 3i27 h SER 78 CO 0.42 -0.27 0.21 -1.54 -0.87 0.00 0.00 176.83 174.78 3i27 n SER 79 N -5.40 2.98 -3.83 4.97 3.41 -1.26 -4.87 113.62 109.62 3i27 n SER 79 Ca 0.02 -3.73 -0.28 0.00 -0.26 0.00 0.00 58.87 54.62 3i27 n SER 79 Cb 0.31 -0.72 -0.16 0.00 -0.26 0.00 0.00 64.21 63.38 3i27 n SER 79 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3i27 s PHE 80 N -3.28 1.42 -0.43 7.33 0.40 -0.54 -5.09 117.98 117.78 3i27 s PHE 80 Ca 0.50 -0.96 -0.13 0.00 -0.60 0.00 0.00 56.93 55.73 3i27 s PHE 80 Cb 0.44 -1.18 0.06 0.00 0.51 0.00 0.00 43.02 42.84 3i27 s PHE 80 CO 0.04 -0.60 0.32 0.08 0.70 0.00 0.00 175.22 175.76 3i27 s VAL 81 N 1.73 4.87 -0.00 -0.44 1.01 -1.26 -1.74 120.40 124.56 3i27 s VAL 81 Ca -0.00 -1.05 -0.12 0.00 0.00 0.00 0.00 61.98 60.81 3i27 s VAL 81 Cb -0.16 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 3i27 s VAL 81 CO -0.07 -0.46 0.35 -0.55 0.00 0.00 0.00 175.10 174.37 3i27 s SER 82 N 2.16 6.69 -0.01 3.32 0.15 -1.26 -4.04 113.70 120.71 3i27 s SER 82 Ca 0.04 0.82 0.01 0.00 0.70 0.00 0.00 55.95 57.52 3i27 s SER 82 Cb -0.22 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 3i27 s SER 82 CO 0.06 0.31 -0.04 -0.47 1.20 0.00 0.00 173.24 174.29 3i27 s TYR 83 N -1.15 0.48 -1.38 3.44 6.14 -1.26 -4.82 117.35 118.80 3i27 s TYR 83 Ca 0.24 -0.09 -0.15 0.00 0.64 0.00 0.00 57.07 57.71 3i27 s TYR 83 Cb -0.15 -0.36 0.02 0.00 0.42 0.00 0.00 41.96 41.89 3i27 s TYR 83 CO 0.13 -0.05 2.15 -0.25 0.64 0.00 0.00 175.55 178.17 3i27 n ASP 84 N 3.26 3.86 -4.56 4.32 8.00 -1.26 -4.87 116.55 125.30 3i27 n ASP 84 Ca -0.16 -2.83 -0.44 0.00 0.71 0.00 0.00 54.79 52.06 3i27 n ASP 84 Cb 0.56 -1.62 -0.01 0.00 -0.02 0.00 0.00 41.12 40.03 3i27 n ASP 84 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i27 n TYR 85 N 6.54 0.92 -3.28 1.24 4.01 -1.26 -4.75 117.16 120.59 3i27 n TYR 85 Ca 0.51 0.70 0.03 0.00 -0.16 0.00 0.00 57.90 58.99 3i27 n TYR 85 Cb 0.40 -2.19 -0.03 0.00 -0.31 0.00 0.00 39.34 37.21 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 -1.12 -0.83 0.13 -0.72 5.36 -1.26 -1.08 117.98 118.47 3i27 s PHE 86 Ca 0.60 1.11 -0.23 0.00 -0.96 0.00 0.00 56.93 57.45 3i27 s PHE 86 Cb -0.70 0.38 0.07 0.00 -0.34 0.00 0.00 43.02 42.43 3i27 s PHE 86 CO 0.59 -0.44 0.59 1.21 -1.46 0.00 0.00 175.22 175.71 3i27 s ASN 87 N 2.73 -0.55 -0.01 6.13 3.84 -0.53 -4.72 114.94 121.84 3i27 s ASN 87 Ca 0.02 0.05 0.05 0.00 0.21 0.00 0.00 52.86 53.19 3i27 s ASN 87 Cb -0.10 0.58 -0.01 0.00 -0.55 0.00 0.00 41.25 41.17 3i27 s ASN 87 CO -0.16 -0.92 -0.16 0.00 -2.79 0.00 0.00 177.10 173.08 3i27 n GLY 89 N 2.61 1.29 0.18 0.00 0.00 -0.29 -4.31 105.19 104.68 3i27 n GLY 89 Ca -0.15 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 3i27 n GLY 89 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i27 h VAL 90 N 0.00 1.18 -3.02 1.61 2.07 -1.56 -3.41 116.25 113.12 3i27 h VAL 90 Ca 0.00 -0.55 -0.60 0.00 0.82 0.00 0.00 66.70 66.36 3i27 h VAL 90 Cb 0.00 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3i27 h VAL 90 CO 0.00 0.20 -0.41 -1.61 0.02 0.00 0.00 177.57 175.77 3i27 s GLU 91 N -5.61 3.52 -0.09 1.57 2.02 -0.97 -4.83 118.70 114.32 3i27 s GLU 91 Ca -0.13 -0.27 -0.05 0.00 0.02 0.00 0.00 54.97 54.54 3i27 s GLU 91 Cb 0.10 -2.96 0.04 0.00 0.10 0.00 0.00 34.13 31.41 3i27 s GLU 91 CO 0.75 0.55 0.20 0.15 0.02 0.00 0.00 175.26 176.93 3i27 s LYS 92 N -2.52 0.17 -0.19 1.61 1.02 -1.26 -1.60 119.74 116.98 3i27 s LYS 92 Ca 0.37 0.44 -0.00 0.00 0.02 0.00 0.00 55.97 56.80 3i27 s LYS 92 Cb -0.13 -0.12 0.01 0.00 -0.52 0.00 0.00 37.83 37.08 3i27 s LYS 92 CO 0.26 -0.15 -0.16 0.08 -0.92 0.00 0.00 175.35 174.46 3i27 s VAL 93 N 1.10 2.44 -0.22 3.17 1.01 0.04 -0.90 120.40 127.03 3i27 s VAL 93 Ca -0.08 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 3i27 s VAL 93 Cb -0.10 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3i27 s VAL 93 CO -0.07 0.51 0.07 -0.36 0.00 0.00 0.00 175.10 175.26 3i27 s PHE 94 N 1.27 3.17 -0.42 5.22 0.08 0.11 -0.91 117.98 126.50 3i27 s PHE 94 Ca 0.04 -0.14 0.06 0.00 0.12 0.00 0.00 56.93 57.01 3i27 s PHE 94 Cb -0.14 -2.17 0.21 0.00 -0.57 0.00 0.00 43.02 40.36 3i27 s PHE 94 CO -0.09 -0.09 0.44 0.98 -0.10 0.00 0.00 175.22 176.36 3i27 n TYR 95 N 4.25 -0.37 -3.87 0.36 9.36 0.52 -1.04 117.16 126.36 3i27 n TYR 95 Ca -0.16 -3.49 -0.08 0.00 3.32 0.00 0.00 57.90 57.49 3i27 n TYR 95 Cb 0.52 -0.08 -0.01 0.00 -0.63 0.00 0.00 39.34 39.14 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 -0.66 1.89 0.00 2.98 4.04 -1.26 -3.57 118.70 122.12 3i27 s GLU 96 Ca 0.34 -1.19 0.00 0.00 0.04 0.00 0.00 54.97 54.16 3i27 s GLU 96 Cb 0.10 0.59 0.00 0.00 0.02 0.00 0.00 34.13 34.84 3i27 s GLU 96 CO -0.15 -0.86 0.00 0.41 -1.84 0.00 0.00 175.26 172.82 3i27 n GLY 97 N -0.47 3.84 0.27 -3.83 0.00 -1.26 -4.71 105.19 99.03 3i27 n GLY 97 Ca -0.05 -0.63 0.07 0.00 0.00 0.00 0.00 46.02 45.41 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 1.02 0.00 1.61 3.04 -1.91 -1.69 116.25 118.33 3i27 h VAL 98 Ca 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 3i27 h VAL 98 Cb 0.00 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 30.19 3i27 h VAL 98 CO 0.00 0.02 0.00 0.59 -1.01 0.00 0.00 177.57 177.17 3i27 n ASN 99 N -4.52 0.00 -3.84 3.17 3.02 -1.26 -3.16 115.26 108.67 3i27 n ASN 99 Ca -0.02 -0.53 -0.30 0.00 -0.03 0.00 0.00 54.58 53.70 3i27 n ASN 99 Cb 0.09 -0.03 -0.14 0.00 -0.61 0.00 0.00 39.78 39.09 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 -2.05 2.61 0.30 3.10 5.36 -0.63 -4.87 117.98 121.78 3i27 s PHE 100 Ca 0.27 -2.63 0.04 0.00 -0.96 0.00 0.00 56.93 53.64 3i27 s PHE 100 Cb 0.13 -2.32 -0.04 0.00 -0.34 0.00 0.00 43.02 40.45 3i27 s PHE 100 CO 0.22 -0.82 0.18 -1.12 -1.46 0.00 0.00 175.22 172.23 3i27 s SER 101 N 0.48 1.36 0.64 6.13 0.01 -1.19 -4.98 113.70 116.15 3i27 s SER 101 Ca 0.15 -1.58 0.42 0.00 1.31 0.00 0.00 55.95 56.24 3i27 s SER 101 Cb -0.23 0.43 2.22 0.00 0.21 0.00 0.00 66.02 68.66 3i27 s SER 101 CO -0.05 -0.93 2.31 -0.65 0.41 0.00 0.00 173.24 174.33 3i27 h PRO 102 N 2.25 0.00 -0.74 12.44 0.11 -1.83 -1.99 132.00 142.24 3i27 h PRO 102 Ca -0.32 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.94 3i27 h PRO 102 Cb 1.25 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 3i27 h PRO 102 CO 0.48 0.00 0.50 -0.09 -0.21 0.00 0.00 178.00 178.68 3i27 h ARG 103 N 0.00 0.37 0.00 1.05 2.43 -1.84 -0.93 114.38 115.47 3i27 h ARG 103 Ca -0.00 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3i27 h ARG 103 Cb 0.08 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3i27 h ARG 103 CO 0.00 0.24 -0.12 -0.22 -1.51 0.00 0.00 179.97 178.36 3i27 h LYS 104 N 0.38 0.00 -4.21 0.20 3.64 -1.68 -3.47 116.57 111.43 3i27 h LYS 104 Ca 0.36 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 59.36 3i27 h LYS 104 Cb 0.87 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.70 3i27 h LYS 104 CO -0.11 0.12 -0.54 1.04 -2.27 0.00 0.00 179.45 177.69 3i27 n GLN 105 N -3.24 -3.53 -2.87 1.90 1.13 -0.35 -4.95 117.38 105.47 3i27 n GLN 105 Ca 0.01 0.82 -0.41 0.00 -1.94 0.00 0.00 57.00 55.48 3i27 n GLN 105 Cb 0.40 -5.58 -0.04 0.00 0.11 0.00 0.00 30.24 25.13 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 -3.03 3.73 0.21 1.08 5.04 -1.26 -4.92 117.35 118.19 3i27 s TYR 106 Ca 0.21 1.58 -0.15 0.00 -2.44 0.00 0.00 57.07 56.27 3i27 s TYR 106 Cb -0.10 -2.93 0.01 0.00 0.35 0.00 0.00 41.96 39.29 3i27 s TYR 106 CO 0.25 0.18 0.47 -1.54 -1.34 0.00 0.00 175.55 173.58 3i27 s SER 107 N 0.24 -0.15 0.10 4.32 1.04 -1.26 -4.17 113.70 113.81 3i27 s SER 107 Ca 0.43 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 56.18 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 -1.05 0.00 0.00 0.98 0.00 0.00 173.24 173.42 3i27 n TRP 109 N -3.40 0.00 0.59 0.00 7.02 -1.26 -0.72 117.44 119.67 3i27 n TRP 109 Ca 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.52 3i27 n TRP 109 Cb 0.08 0.00 0.16 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 2.38 0.14 -0.99 8.00 0.29 -4.21 116.55 122.16 3i27 n ASP 110 Ca 0.00 -2.19 0.13 0.00 0.71 0.00 0.00 54.79 53.44 3i27 n ASP 110 Cb 0.00 -0.39 0.41 0.00 -0.02 0.00 0.00 41.12 41.13 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 1.86 0.00 -1.49 -1.24 9.09 -1.92 -3.47 114.58 117.42 3i27 h GLU 111 Ca 0.00 0.00 0.17 0.00 0.05 0.00 0.00 59.36 59.58 3i27 h GLU 111 Cb 0.77 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.81 3i27 h GLU 111 CO 0.10 0.00 -0.33 0.41 0.05 0.00 0.00 179.01 179.24 3i27 n GLY 112 N 0.85 -1.95 0.37 1.06 0.00 -1.26 -2.70 105.19 101.57 3i27 n GLY 112 Ca 0.04 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.62 1.17 -0.09 1.61 2.07 -1.92 -2.47 116.25 116.00 3i27 h VAL 113 Ca -0.02 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 3i27 h VAL 113 Cb 0.60 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3i27 h VAL 113 CO 0.01 0.23 -0.31 0.44 0.02 0.00 0.00 177.57 177.96 3i27 h ASP 114 N 1.26 0.17 -0.81 0.57 3.32 -1.89 -1.48 116.42 117.55 3i27 h ASP 114 Ca 0.40 -0.06 0.07 0.00 0.02 0.00 0.00 57.03 57.46 3i27 h ASP 114 Cb 0.01 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.45 3i27 h ASP 114 CO -0.13 0.48 0.49 1.23 -1.72 0.00 0.00 179.24 179.59 3i27 h GLY 115 N 1.04 1.23 2.00 2.75 0.00 -1.22 -0.69 103.07 108.18 3i27 h GLY 115 Ca 0.02 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 46.88 3i27 h GLY 115 CO 0.05 0.21 -0.62 1.49 0.00 0.00 0.00 176.54 177.66 3i27 h TRP 116 N 0.87 0.00 -0.53 5.60 4.06 -1.28 -2.21 115.95 122.46 3i27 h TRP 116 Ca 0.36 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 61.23 3i27 h TRP 116 Cb 0.22 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.36 3i27 h TRP 116 CO -0.05 0.62 0.01 0.82 -3.56 0.00 0.00 178.44 176.28 3i27 h ILE 117 N 0.00 1.25 -0.33 1.49 1.08 -1.13 0.39 117.51 120.26 3i27 h ILE 117 Ca -0.01 -1.05 0.01 0.00 -0.39 0.00 0.00 64.86 63.42 3i27 h ILE 117 Cb 1.34 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 35.91 3i27 h ILE 117 CO 0.08 0.38 0.19 -0.08 -0.69 0.00 0.00 178.15 178.03 3i27 h GLU 118 N 0.82 0.38 -0.57 2.37 4.57 -0.97 -1.60 114.58 119.59 3i27 h GLU 118 Ca 0.16 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.27 3i27 h GLU 118 Cb 0.48 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 3i27 h GLU 118 CO 0.02 0.25 0.20 -0.07 -1.18 0.00 0.00 179.01 178.23 3i27 h LEU 119 N 0.39 0.81 -0.51 1.64 3.38 -1.01 -0.73 115.31 119.28 3i27 h LEU 119 Ca 0.13 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 57.99 3i27 h LEU 119 Cb 0.00 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.47 3i27 h LEU 119 CO -0.06 0.79 0.11 0.50 0.09 0.00 0.00 178.44 179.86 3i27 h LYS 120 N 0.79 0.24 -0.81 1.13 3.64 -0.84 0.04 116.57 120.76 3i27 h LYS 120 Ca 0.19 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3i27 h LYS 120 Cb 0.25 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 3i27 h LYS 120 CO -0.01 0.16 0.39 1.15 -2.27 0.00 0.00 179.45 178.87 3i27 h THR 121 N 0.25 1.25 -0.58 1.00 2.02 -0.73 -1.75 112.91 114.38 3i27 h THR 121 Ca 0.26 -0.72 -0.05 0.00 0.77 0.00 0.00 66.41 66.66 3i27 h THR 121 Cb 0.34 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 3i27 h THR 121 CO -0.33 0.31 0.15 0.03 0.37 0.00 0.00 175.52 176.05 3i27 h ARG 122 N 1.16 0.92 0.16 6.66 3.08 -0.33 -2.11 114.38 123.92 3i27 h ARG 122 Ca 0.28 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3i27 h ARG 122 Cb 0.13 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3i27 h ARG 122 CO -0.03 0.85 -0.08 0.35 -1.07 0.00 0.00 179.97 179.99 3i27 h PHE 123 N 0.83 -0.19 -0.93 3.04 3.57 -0.67 -2.12 116.94 120.46 3i27 h PHE 123 Ca 0.18 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3i27 h PHE 123 Cb 0.33 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 3i27 h PHE 123 CO 0.02 0.04 0.59 1.88 -2.23 0.00 0.00 178.31 178.61 3i27 h TYR 124 N -0.41 1.20 -0.30 0.41 0.05 -1.33 0.79 116.97 117.39 3i27 h TYR 124 Ca -0.02 0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.83 3i27 h TYR 124 Cb 0.32 -0.40 -0.06 0.00 1.01 0.00 0.00 36.73 37.60 3i27 h TYR 124 CO -0.01 0.78 -0.09 1.15 -1.05 0.00 0.00 178.16 178.94 3i27 h THR 125 N 1.28 0.66 -0.45 -2.88 2.02 -1.30 0.10 112.91 112.34 3i27 h THR 125 Ca 0.34 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.42 3i27 h THR 125 Cb -0.10 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3i27 h THR 125 CO -0.07 0.00 -0.10 0.50 0.37 0.00 0.00 175.52 176.22 3i27 h LYS 126 N -0.03 0.86 -0.00 6.66 1.63 -1.11 -2.01 116.57 122.57 3i27 h LYS 126 Ca 0.15 -0.33 0.01 0.00 -0.85 0.00 0.00 60.65 59.63 3i27 h LYS 126 Cb 0.25 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 3i27 h LYS 126 CO -0.32 0.96 -0.03 1.25 -3.45 0.00 0.00 179.45 177.86 3i27 h LEU 127 N 0.70 -0.08 -0.46 5.20 5.85 -0.53 -1.48 115.31 124.50 3i27 h LEU 127 Ca 0.12 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3i27 h LEU 127 Cb 0.64 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 3i27 h LEU 127 CO 0.04 -0.04 0.23 1.88 -0.34 0.00 0.00 178.44 180.21 3i27 h TYR 128 N -0.05 0.65 0.19 1.25 0.05 -0.74 -1.20 116.97 117.12 3i27 h TYR 128 Ca 0.01 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3i27 h TYR 128 Cb 0.07 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.59 3i27 h TYR 128 CO -0.11 0.51 -0.17 1.96 -1.05 0.00 0.00 178.16 179.31 3i27 h GLN 129 N 0.60 -0.37 -0.48 4.88 4.20 -1.14 -2.93 115.11 119.86 3i27 h GLN 129 Ca 0.16 0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.84 3i27 h GLN 129 Cb 0.10 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3i27 h GLN 129 CO -0.02 -0.25 0.07 0.52 -0.67 0.00 0.00 178.83 178.48 3i27 h MET 130 N -0.38 0.76 -0.01 1.46 2.86 -1.21 -2.86 114.93 115.55 3i27 h MET 130 Ca -0.00 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3i27 h MET 130 Cb 0.36 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 3i27 h MET 130 CO -0.03 0.73 0.01 0.00 1.06 0.00 0.00 176.91 178.67 3i27 h ALA 131 N 1.35 1.90 0.00 6.32 0.00 -1.04 -2.88 119.26 124.91 3i27 h ALA 131 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i27 h ALA 131 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3i27 h ALA 131 CO 0.01 -0.02 0.00 1.79 0.00 0.00 0.00 179.25 181.03 3i27 h THR 132 N 0.00 0.00 0.00 0.00 1.35 -1.34 -2.49 112.91 110.43 3i27 h THR 132 Ca 0.01 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.64 3i27 h THR 132 Cb 0.02 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.48 3i27 h THR 132 CO -0.00 0.00 -0.35 0.35 -0.25 0.00 0.00 175.52 175.27 3i27 n THR 133 N -2.71 1.95 -4.27 6.82 -2.24 -1.09 -1.20 114.28 111.55 3i27 n THR 133 Ca -0.00 -2.74 -0.18 0.00 -2.27 0.00 0.00 64.05 58.85 3i27 n THR 133 Cb 0.18 -0.17 -0.11 0.00 -2.10 0.00 0.00 70.33 68.13 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 -3.01 2.15 -0.23 3.42 0.01 -0.94 -2.02 113.70 113.08 3i27 s SER 134 Ca 0.35 -0.88 -0.11 0.00 1.31 0.00 0.00 55.95 56.62 3i27 s SER 134 Cb 0.33 -0.08 -0.10 0.00 0.21 0.00 0.00 66.02 66.38 3i27 s SER 134 CO -0.04 -0.16 -0.29 -1.14 0.41 0.00 0.00 173.24 172.02 3i27 n ARG 135 N 0.25 0.49 -3.95 12.44 0.63 -1.26 -4.74 116.66 120.52 3i27 n ARG 135 Ca -0.13 0.21 -0.37 0.00 -0.92 0.00 0.00 57.85 56.64 3i27 n ARG 135 Cb 0.58 -1.32 -0.07 0.00 0.45 0.00 0.00 32.46 32.10 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 -0.90 0.94 -0.04 0.00 1.01 -0.08 -2.66 121.20 119.48 3i27 s ILE 137 Ca 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 3i27 s ILE 137 Cb -0.12 -0.94 0.03 0.00 0.01 0.00 0.00 42.46 41.44 3i27 s ILE 137 CO 0.03 0.34 0.05 -0.75 0.00 0.00 0.00 174.94 174.62 3i27 s LYS 138 N 1.40 -0.05 -0.15 2.79 2.20 0.12 -1.45 119.74 124.60 3i27 s LYS 138 Ca -0.01 0.35 -0.28 0.00 -0.36 0.00 0.00 55.97 55.67 3i27 s LYS 138 Cb -0.13 -0.50 -0.01 0.00 -1.51 0.00 0.00 37.83 35.68 3i27 s LYS 138 CO -0.04 -0.31 0.95 -1.17 -0.36 0.00 0.00 175.35 174.41 3i27 s LEU 139 N 2.04 4.19 0.14 5.43 2.96 -0.24 -0.59 118.68 132.60 3i27 s LEU 139 Ca 0.03 1.37 0.08 0.00 -0.22 0.00 0.00 54.13 55.39 3i27 s LEU 139 Cb -0.12 -3.43 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 3i27 s LEU 139 CO -0.03 -0.47 -0.18 0.27 -1.32 0.00 0.00 176.35 174.62 3i27 s ILE 140 N 2.27 1.69 0.05 6.68 -4.36 0.34 -4.71 121.20 123.16 3i27 s ILE 140 Ca 0.44 -1.76 -0.22 0.00 -0.26 0.00 0.00 60.65 58.85 3i27 s ILE 140 Cb -0.17 -1.68 -0.06 0.00 1.25 0.00 0.00 42.46 41.79 3i27 s ILE 140 CO 0.14 -0.25 0.64 -1.10 0.24 0.00 0.00 174.94 174.61 3i27 s GLN 141 N -2.48 4.35 0.16 0.37 -1.52 -1.26 -1.80 119.66 117.48 3i27 s GLN 141 Ca 0.11 0.85 -0.07 0.00 -1.95 0.00 0.00 55.36 54.31 3i27 s GLN 141 Cb -0.07 -3.31 -0.06 0.00 -0.22 0.00 0.00 33.01 29.35 3i27 s GLN 141 CO 0.05 0.45 0.43 -0.51 -0.25 0.00 0.00 175.29 175.46 3i27 s LEU 142 N -0.53 4.25 0.33 2.90 1.43 0.69 -4.94 118.68 122.80 3i27 s LEU 142 Ca 0.32 0.70 -0.29 0.00 -1.03 0.00 0.00 54.13 53.84 3i27 s LEU 142 Cb -0.20 -3.39 -0.11 0.00 0.03 0.00 0.00 46.19 42.53 3i27 s LEU 142 CO 0.20 0.03 1.44 -1.10 0.23 0.00 0.00 176.35 177.15 3i27 s GLN 143 N -2.64 4.21 0.33 1.70 -1.52 -1.26 -4.84 119.66 115.64 3i27 s GLN 143 Ca 0.42 2.42 -0.29 0.00 -1.95 0.00 0.00 55.36 55.96 3i27 s GLN 143 Cb -0.12 -3.03 -0.11 0.00 -0.22 0.00 0.00 33.01 29.52 3i27 s GLN 143 CO 0.23 -0.43 1.55 0.00 -0.25 0.00 0.00 175.29 176.39 3i27 n ALA 144 N 1.17 2.49 -1.75 6.09 0.00 -1.26 -4.73 120.51 122.52 3i27 n ALA 144 Ca 0.03 0.36 -0.39 0.00 0.00 0.00 0.00 53.44 53.44 3i27 n ALA 144 Cb 0.40 -2.45 0.04 0.00 0.00 0.00 0.00 19.45 17.44 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 1.45 1.90 -2.35 0.00 -0.02 -1.26 -4.97 135.00 129.75 3i27 n PRO 145 Ca 0.06 0.69 -0.35 0.00 -2.02 0.00 0.00 63.50 61.88 3i27 n PRO 145 Cb 0.38 -2.61 -0.01 0.00 -0.02 0.00 0.00 33.50 31.24 3i27 n PRO 145 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3i27 s SER 146 N -0.76 5.93 -1.32 2.55 0.01 -1.26 -4.06 113.70 114.79 3i27 s SER 146 Ca 0.68 2.07 -0.04 0.00 1.31 0.00 0.00 55.95 59.98 3i27 s SER 146 Cb -0.42 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.25 3i27 s SER 146 CO 0.52 -1.07 0.91 -1.20 0.41 0.00 0.00 173.24 172.81 3i27 n SER 147 N -1.22 -2.86 -4.76 2.44 7.64 -1.26 -4.72 113.62 108.88 3i27 n SER 147 Ca 0.11 -0.71 -0.39 0.00 1.01 0.00 0.00 58.87 58.88 3i27 n SER 147 Cb 0.52 -4.49 0.02 0.00 -1.01 0.00 0.00 64.21 59.24 3i27 n SER 147 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3i27 s LEU 148 N -6.79 4.07 0.91 -3.43 1.43 -1.26 -5.02 118.68 108.59 3i27 s LEU 148 Ca 0.21 2.79 -0.14 0.00 -1.03 0.00 0.00 54.13 55.96 3i27 s LEU 148 Cb -0.10 -4.03 0.15 0.00 0.03 0.00 0.00 46.19 42.25 3i27 s LEU 148 CO 0.78 -1.19 1.24 -2.16 0.23 0.00 0.00 176.35 175.25 3i27 s PRO 149 N -2.53 1.08 0.15 1.29 0.04 -1.26 -4.99 135.00 128.78 3i27 s PRO 149 Ca 0.63 -0.12 -0.31 0.00 0.04 0.00 0.00 61.00 61.24 3i27 s PRO 149 Cb -0.41 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.16 3i27 s PRO 149 CO 0.51 -2.17 1.65 0.99 0.04 0.00 0.00 177.00 178.03 3i27 s THR 150 N -3.65 2.55 -0.02 1.26 2.01 -1.26 -5.00 115.64 111.53 3i27 s THR 150 Ca 0.68 0.30 0.03 0.00 0.31 0.00 0.00 61.69 63.01 3i27 s THR 150 Cb -0.08 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.23 3i27 s THR 150 CO 0.52 0.02 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.62 3i27 s LEU 151 N 1.65 1.85 -0.18 4.42 1.43 -1.26 -3.95 118.68 122.64 3i27 s LEU 151 Ca 0.73 -0.18 -0.07 0.00 -1.03 0.00 0.00 54.13 53.58 3i27 s LEU 151 Cb -0.45 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 3i27 s LEU 151 CO 0.32 0.08 0.06 -1.58 0.23 0.00 0.00 176.35 175.46 3i27 s GLN 152 N 0.08 3.93 0.37 1.70 0.74 0.12 -4.91 119.66 121.69 3i27 s GLN 152 Ca -0.01 -0.33 -0.27 0.00 0.05 0.00 0.00 55.36 54.79 3i27 s GLN 152 Cb -0.07 -3.20 -0.11 0.00 1.10 0.00 0.00 33.01 30.72 3i27 s GLN 152 CO 0.00 0.31 1.29 0.00 -0.55 0.00 0.00 175.29 176.35 3i27 n ALA 153 N 3.41 1.34 -1.47 1.58 0.00 -1.26 -0.46 120.51 123.66 3i27 n ALA 153 Ca -0.17 0.33 -0.29 0.00 0.00 0.00 0.00 53.44 53.31 3i27 n ALA 153 Cb 0.52 -2.26 0.12 0.00 0.00 0.00 0.00 19.45 17.83 3i27 n ALA 153 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i27 s GLY 154 N -0.37 1.60 0.04 0.00 0.00 -0.75 -4.72 107.32 103.12 3i27 s GLY 154 Ca 0.57 -0.33 -0.00 0.00 0.00 0.00 0.00 44.72 44.96 3i27 s GLY 154 CO 0.61 0.18 -0.03 -1.34 0.00 0.00 0.00 173.10 172.51 3i27 s VAL 155 N -3.16 0.23 0.27 1.40 -7.23 -1.26 -4.92 120.40 105.73 3i27 s VAL 155 Ca 0.63 -1.53 -0.23 0.00 -1.81 0.00 0.00 61.98 59.04 3i27 s VAL 155 Cb -0.15 -1.13 -0.09 0.00 0.56 0.00 0.00 36.38 35.57 3i27 s VAL 155 CO 0.54 -0.82 0.82 0.00 -0.31 0.00 0.00 175.10 175.34 3i27 h ARG 157 N 3.31 0.19 0.00 0.00 9.65 -1.26 -1.81 114.38 124.47 3i27 h ARG 157 Ca -0.47 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 3i27 h ARG 157 Cb 1.19 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 3i27 h ARG 157 CO 0.65 0.13 0.00 0.25 2.80 0.00 0.00 179.97 183.80 3i27 n THR 158 N -4.49 0.17 -1.46 0.20 -2.24 -0.73 -4.91 114.28 100.83 3i27 n THR 158 Ca 0.03 -0.01 -0.16 0.00 -2.27 0.00 0.00 64.05 61.64 3i27 n THR 158 Cb 0.21 -0.57 -0.07 0.00 -2.10 0.00 0.00 70.33 67.81 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 -1.60 -5.49 -4.11 3.42 3.02 -0.68 -5.02 115.26 104.80 3i27 n ASN 159 Ca 0.06 0.39 -0.30 0.00 -0.03 0.00 0.00 54.58 54.71 3i27 n ASN 159 Cb 0.33 -4.39 0.19 0.00 -0.61 0.00 0.00 39.78 35.31 3i27 n ASN 159 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3i27 s LYS 160 N -3.32 0.53 -0.19 3.52 1.02 -1.26 -4.93 119.74 115.11 3i27 s LYS 160 Ca 0.00 -0.39 -0.29 0.00 0.02 0.00 0.00 55.97 55.31 3i27 s LYS 160 Cb 0.00 -1.83 -0.01 0.00 -0.52 0.00 0.00 37.83 35.46 3i27 s LYS 160 CO 0.00 -2.49 1.32 -1.14 -0.92 0.00 0.00 175.35 172.12 3i27 s GLN 161 N -5.86 4.12 0.32 1.68 2.00 -1.26 -4.24 119.66 116.41 3i27 s GLN 161 Ca 0.74 1.60 -0.29 0.00 -2.00 0.00 0.00 55.36 55.41 3i27 s GLN 161 Cb -0.04 -3.83 -0.11 0.00 0.80 0.00 0.00 33.01 29.83 3i27 s GLN 161 CO 0.53 -0.86 1.46 -1.17 -0.50 0.00 0.00 175.29 174.75 3i27 s LEU 162 N 3.87 4.36 0.35 3.68 2.96 -1.26 -4.94 118.68 127.70 3i27 s LEU 162 Ca 0.57 2.87 -0.27 0.00 -0.22 0.00 0.00 54.13 57.08 3i27 s LEU 162 Cb -0.21 -3.65 -0.12 0.00 0.50 0.00 0.00 46.19 42.71 3i27 s LEU 162 CO 0.19 -0.77 1.14 -2.65 -1.32 0.00 0.00 176.35 172.94 3i27 n PRO 163 N 1.32 1.71 0.18 0.98 -0.02 -1.26 -4.86 135.00 133.05 3i27 n PRO 163 Ca 0.04 0.60 0.07 0.00 -2.02 0.00 0.00 63.50 62.19 3i27 n PRO 163 Cb 0.40 -2.12 0.16 0.00 -0.02 0.00 0.00 33.50 31.92 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 2.13 0.00 -3.33 2.55 3.32 -1.07 -3.43 116.42 116.59 3i27 h ASP 164 Ca -0.44 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.22 3i27 h ASP 164 Cb 1.31 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.49 3i27 h ASP 164 CO 0.61 0.30 -0.75 0.21 -1.72 0.00 0.00 179.24 177.88 3i27 s ASN 165 N -6.32 1.17 0.77 6.45 2.47 -0.24 -3.36 114.94 115.87 3i27 s ASN 165 Ca 0.04 -0.00 -0.11 0.00 0.42 0.00 0.00 52.86 53.21 3i27 s ASN 165 Cb 0.07 -0.27 0.05 0.00 -1.45 0.00 0.00 41.25 39.66 3i27 s ASN 165 CO 0.70 -0.20 1.08 -2.16 -3.72 0.00 0.00 177.10 172.80 3i27 s PRO 166 N 1.87 2.35 0.07 0.43 0.04 -1.26 -4.44 135.00 134.05 3i27 s PRO 166 Ca 0.02 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 61.66 3i27 s PRO 166 Cb -0.12 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 3i27 s PRO 166 CO -0.04 -1.50 1.16 0.50 0.04 0.00 0.00 177.00 177.16 3i27 s ARG 167 N -5.03 4.47 -0.21 4.56 3.52 0.89 -4.84 118.95 122.30 3i27 s ARG 167 Ca 0.60 1.72 -0.03 0.00 -0.13 0.00 0.00 55.73 57.89 3i27 s ARG 167 Cb -0.15 -3.35 -0.00 0.00 -1.56 0.00 0.00 34.95 29.88 3i27 s ARG 167 CO 0.55 -0.19 -0.07 -1.17 -0.81 0.00 0.00 175.30 173.61 3i27 s LEU 168 N 0.86 2.78 0.11 -0.88 2.96 -1.26 -2.27 118.68 120.97 3i27 s LEU 168 Ca 0.57 -0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 54.02 3i27 s LEU 168 Cb -0.28 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 3i27 s LEU 168 CO 0.30 -0.01 0.07 0.00 -1.32 0.00 0.00 176.35 175.39 3i27 s ALA 169 N 1.42 0.51 -0.21 5.97 0.00 -0.39 -1.81 121.76 127.26 3i27 s ALA 169 Ca 0.05 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 50.76 3i27 s ALA 169 Cb -0.14 0.64 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 3i27 s ALA 169 CO -0.05 -0.47 -0.05 -0.51 0.00 0.00 0.00 175.76 174.68 3i27 s LEU 170 N -2.98 2.89 0.74 0.00 1.02 0.40 -0.86 118.68 119.89 3i27 s LEU 170 Ca 0.16 -0.37 -0.11 0.00 0.02 0.00 0.00 54.13 53.82 3i27 s LEU 170 Cb 0.07 -1.73 0.03 0.00 0.02 0.00 0.00 46.19 44.59 3i27 s LEU 170 CO -0.04 0.01 1.08 -0.76 0.02 0.00 0.00 176.35 176.66 3i27 s LEU 171 N 1.30 2.90 0.45 1.79 1.43 0.18 -0.71 118.68 126.03 3i27 s LEU 171 Ca 0.04 1.48 0.27 0.00 -1.03 0.00 0.00 54.13 54.89 3i27 s LEU 171 Cb -0.14 -4.25 0.78 0.00 0.03 0.00 0.00 46.19 42.61 3i27 s LEU 171 CO -0.02 -1.67 1.76 0.28 0.23 0.00 0.00 176.35 176.93 3i27 h SER 172 N -0.88 0.00 -4.09 2.29 0.02 -1.88 -3.46 113.55 105.56 3i27 h SER 172 Ca -0.45 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.13 3i27 h SER 172 Cb 1.24 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.70 3i27 h SER 172 CO 0.58 0.00 -0.27 -0.90 -1.14 0.00 0.00 176.83 175.10 3i27 n ASP 173 N -2.97 2.42 -0.08 3.07 5.75 -1.26 -5.08 116.55 118.39 3i27 n ASP 173 Ca 0.03 -2.27 0.06 0.00 -0.01 0.00 0.00 54.79 52.60 3i27 n ASP 173 Cb 0.43 0.29 0.08 0.00 -1.03 0.00 0.00 41.12 40.89 3i27 n ASP 173 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3i27 n THR 174 N -0.68 1.41 -3.43 2.12 -2.24 -1.26 -3.03 114.28 107.16 3i27 n THR 174 Ca -0.10 -1.63 -0.30 0.00 -2.27 0.00 0.00 64.05 59.75 3i27 n THR 174 Cb 0.36 0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.64 3i27 n THR 174 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3i27 s VAL 175 N -1.99 5.04 0.52 2.28 -7.23 -1.26 -4.33 120.40 113.42 3i27 s VAL 175 Ca 0.19 0.12 -0.22 0.00 -1.81 0.00 0.00 61.98 60.26 3i27 s VAL 175 Cb 0.17 -3.69 -0.06 0.00 0.56 0.00 0.00 36.38 33.36 3i27 s VAL 175 CO 0.02 -0.20 1.26 -2.84 -0.31 0.00 0.00 175.10 173.02 3i27 s PRO 176 N -3.24 3.38 0.33 4.82 0.02 -1.21 -4.06 135.00 135.05 3i27 s PRO 176 Ca 0.44 1.99 -0.16 0.00 0.02 0.00 0.00 61.00 63.28 3i27 s PRO 176 Cb -0.11 -2.28 0.03 0.00 0.02 0.00 0.00 34.50 32.17 3i27 s PRO 176 CO 0.27 -0.92 0.72 -0.08 -0.33 0.00 0.00 177.00 176.66 3i27 s THR 177 N -1.44 0.00 -0.07 0.99 -1.32 -0.82 -4.92 115.64 108.06 3i27 s THR 177 Ca 0.69 -1.08 -0.13 0.00 -1.21 0.00 0.00 61.69 59.97 3i27 s THR 177 Cb -0.34 -2.50 0.03 0.00 -1.51 0.00 0.00 72.50 68.18 3i27 s THR 177 CO 0.40 0.00 0.32 -0.55 -2.21 0.00 0.00 174.62 172.58 3i27 s SER 178 N -3.03 -0.27 0.17 8.08 0.15 -1.26 -1.41 113.70 116.14 3i27 s SER 178 Ca 0.16 0.39 0.06 0.00 0.70 0.00 0.00 55.95 57.26 3i27 s SER 178 Cb -0.05 0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 64.72 3i27 s SER 178 CO 0.10 -0.26 -0.13 0.68 1.20 0.00 0.00 173.24 174.83 3i27 s VAL 179 N -0.51 1.47 -0.17 4.45 -7.23 -0.50 -4.98 120.40 112.93 3i27 s VAL 179 Ca -0.06 -2.07 -0.06 0.00 -1.81 0.00 0.00 61.98 57.97 3i27 s VAL 179 Cb -0.04 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 3i27 s VAL 179 CO 0.02 -0.61 0.05 -1.10 -0.31 0.00 0.00 175.10 173.14 3i27 s GLN 180 N -3.50 3.81 0.11 4.82 -0.21 -1.26 -0.30 119.66 123.13 3i27 s GLN 180 Ca 0.18 -0.36 0.10 0.00 0.02 0.00 0.00 55.36 55.30 3i27 s GLN 180 Cb -0.00 -3.13 -0.04 0.00 1.00 0.00 0.00 33.01 30.84 3i27 s GLN 180 CO 0.04 0.34 -0.25 -0.59 -2.12 0.00 0.00 175.29 172.71 3i27 s PHE 181 N 0.16 2.13 -0.19 0.91 -0.71 -0.26 -4.27 117.98 115.75 3i27 s PHE 181 Ca 0.04 -0.39 -0.02 0.00 -1.04 0.00 0.00 56.93 55.51 3i27 s PHE 181 Cb -0.12 -1.17 -0.01 0.00 -1.21 0.00 0.00 43.02 40.51 3i27 s PHE 181 CO 0.01 0.27 -0.08 0.08 -1.34 0.00 0.00 175.22 174.15 3i27 s VAL 182 N -1.05 3.19 -0.41 -2.49 1.01 -1.26 -1.25 120.40 118.13 3i27 s VAL 182 Ca 0.11 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.35 3i27 s VAL 182 Cb -0.10 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.89 3i27 s VAL 182 CO 0.05 0.47 0.43 -0.76 0.00 0.00 0.00 175.10 175.29 3i27 s LEU 183 N 1.08 4.79 0.60 3.92 1.43 -0.25 -4.61 118.68 125.63 3i27 s LEU 183 Ca 0.00 -0.59 -0.15 0.00 -1.03 0.00 0.00 54.13 52.36 3i27 s LEU 183 Cb -0.15 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.65 3i27 s LEU 183 CO -0.01 -0.55 1.06 -2.16 0.23 0.00 0.00 176.35 174.92 3i27 s PRO 184 N 2.14 3.28 0.25 1.29 0.04 -1.26 -0.92 135.00 139.82 3i27 s PRO 184 Ca 0.12 1.20 0.25 0.00 0.04 0.00 0.00 61.00 62.61 3i27 s PRO 184 Cb -0.17 -2.03 0.92 0.00 0.04 0.00 0.00 34.50 33.26 3i27 s PRO 184 CO 0.13 -0.84 1.74 0.41 0.04 0.00 0.00 177.00 178.48 3i27 n GLY 185 N -1.02 -1.47 3.43 0.56 0.00 -1.26 -4.60 105.19 100.84 3i27 n GLY 185 Ca 0.09 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 3i27 n GLY 185 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i27 s SER 186 N -4.42 -0.42 -0.13 1.61 1.04 -1.26 -1.10 113.70 109.01 3i27 s SER 186 Ca 0.07 -0.19 -0.04 0.00 0.48 0.00 0.00 55.95 56.27 3i27 s SER 186 Cb 0.10 0.57 0.06 0.00 0.10 0.00 0.00 66.02 66.85 3i27 s SER 186 CO 0.48 -0.97 0.12 -0.55 0.98 0.00 0.00 173.24 173.30 3i27 s SER 187 N -2.79 1.54 1.50 7.02 0.15 -0.13 -4.86 113.70 116.13 3i27 s SER 187 Ca 0.03 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.51 3i27 s SER 187 Cb -0.01 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 3i27 s SER 187 CO -0.10 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.65 3i27 n GLY 188 N 5.30 3.41 0.89 9.45 0.00 -1.26 -1.51 105.19 121.47 3i27 n GLY 188 Ca -0.05 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 0.33 -3.26 2.61 -2.24 -1.26 -4.87 114.28 105.59 3i27 n THR 189 Ca 0.00 -0.56 -0.38 0.00 -2.27 0.00 0.00 64.05 60.84 3i27 n THR 189 Cb 0.00 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.67 5.11 -0.21 4.28 2.01 -0.57 -5.05 115.64 119.55 3i27 s THR 190 Ca 0.35 1.08 -0.19 0.00 0.31 0.00 0.00 61.69 63.24 3i27 s THR 190 Cb 0.20 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 3i27 s THR 190 CO 0.29 0.34 0.57 -0.63 -0.69 0.00 0.00 174.62 174.50 3i27 s ILE 191 N 0.46 5.06 -0.75 1.82 -1.09 -1.26 -0.96 121.20 124.48 3i27 s ILE 191 Ca 0.29 1.04 -0.20 0.00 -2.23 0.00 0.00 60.65 59.55 3i27 s ILE 191 Cb -0.16 -3.88 0.11 0.00 -1.58 0.00 0.00 42.46 36.95 3i27 s ILE 191 CO 0.13 0.13 0.93 0.00 -1.23 0.00 0.00 174.94 174.90 3i27 h THR 193 N 5.82 0.00 -3.08 0.00 1.35 -1.17 -3.42 112.91 112.41 3i27 h THR 193 Ca -0.11 -0.56 0.04 0.00 -0.55 0.00 0.00 66.41 65.23 3i27 h THR 193 Cb 1.06 1.44 -0.07 0.00 -1.73 0.00 0.00 68.15 68.85 3i27 h THR 193 CO 1.10 0.00 0.18 -1.59 -0.25 0.00 0.00 175.52 174.96 3i27 s LYS 194 N -3.14 1.65 -0.02 4.72 -2.85 -0.96 -4.43 119.74 114.71 3i27 s LYS 194 Ca 0.09 -0.91 0.01 0.00 -1.00 0.00 0.00 55.97 54.16 3i27 s LYS 194 Cb 0.12 0.59 0.01 0.00 -2.06 0.00 0.00 37.83 36.48 3i27 s LYS 194 CO 0.64 -0.74 -0.04 -1.01 0.10 0.00 0.00 175.35 174.30 3i27 s HIS 195 N -3.89 0.51 -0.31 1.78 3.76 0.93 -1.64 115.29 116.43 3i27 s HIS 195 Ca 0.10 -0.10 -0.18 0.00 -0.15 0.00 0.00 55.06 54.74 3i27 s HIS 195 Cb -0.04 -0.40 -0.02 0.00 1.11 0.00 0.00 32.58 33.23 3i27 s HIS 195 CO 0.03 -0.06 0.49 -1.17 -0.85 0.00 0.00 174.74 173.18 3i27 s LEU 196 N 0.26 4.20 -0.05 0.89 0.20 -0.21 -0.88 118.68 123.09 3i27 s LEU 196 Ca -0.03 0.20 0.02 0.00 0.69 0.00 0.00 54.13 55.00 3i27 s LEU 196 Cb -0.06 -2.58 0.02 0.00 -0.43 0.00 0.00 46.19 43.13 3i27 s LEU 196 CO -0.00 -0.37 -0.08 -0.69 -0.29 0.00 0.00 176.35 174.91 3i27 s VAL 197 N 2.32 0.81 0.21 1.68 1.01 -0.22 -1.96 120.40 124.25 3i27 s VAL 197 Ca 0.19 -0.30 -0.20 0.00 0.00 0.00 0.00 61.98 61.67 3i27 s VAL 197 Cb -0.16 -0.77 -0.08 0.00 0.00 0.00 0.00 36.38 35.37 3i27 s VAL 197 CO 0.11 0.28 0.72 -2.16 0.00 0.00 0.00 175.10 174.06 3i27 s PRO 198 N 0.72 4.28 -0.17 2.72 0.04 -1.26 -0.34 135.00 140.99 3i27 s PRO 198 Ca -0.12 0.89 0.01 0.00 0.04 0.00 0.00 61.00 61.82 3i27 s PRO 198 Cb -0.14 -2.93 0.02 0.00 0.04 0.00 0.00 34.50 31.49 3i27 s PRO 198 CO 0.02 0.42 -0.17 0.12 0.04 0.00 0.00 177.00 177.43 3i27 s PHE 199 N -1.47 2.51 0.11 0.56 5.36 0.18 -4.62 117.98 120.61 3i27 s PHE 199 Ca 0.42 -1.47 0.04 0.00 -0.96 0.00 0.00 56.93 54.95 3i27 s PHE 199 Cb -0.17 -1.77 -0.04 0.00 -0.34 0.00 0.00 43.02 40.69 3i27 s PHE 199 CO 0.21 -0.75 -0.10 0.00 -1.46 0.00 0.00 175.22 173.13 3i27 s TYR 201 N -2.75 -0.27 -0.30 0.00 -0.85 -0.19 -4.95 117.35 108.05 3i27 s TYR 201 Ca 0.08 -0.12 -0.09 0.00 -0.52 0.00 0.00 57.07 56.42 3i27 s TYR 201 Cb -0.01 0.65 -0.02 0.00 0.38 0.00 0.00 41.96 42.96 3i27 s TYR 201 CO -0.00 -1.12 0.14 -0.51 -1.52 0.00 0.00 175.55 172.54 3i27 s LEU 202 N -2.88 3.99 0.00 -3.49 1.43 -1.26 -0.99 118.68 115.49 3i27 s LEU 202 Ca 0.09 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 52.79 3i27 s LEU 202 Cb -0.04 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.18 3i27 s LEU 202 CO 0.01 -0.15 0.04 -0.46 0.23 0.00 0.00 176.35 176.03 3i27 n ASN 203 N 4.99 0.05 -2.81 2.29 6.94 -0.58 -4.83 115.26 121.31 3i27 n ASN 203 Ca -0.14 -1.05 -0.09 0.00 -0.02 0.00 0.00 54.58 53.28 3i27 n ASN 203 Cb 0.50 -0.03 0.04 0.00 -2.36 0.00 0.00 39.78 37.93 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 -1.49 -1.98 -1.37 -2.53 8.25 -1.26 -4.09 115.22 110.75 3i27 n HIS 204 Ca 0.01 0.70 0.00 0.00 -0.26 0.00 0.00 57.72 58.17 3i27 n HIS 204 Cb 0.02 -3.69 0.00 0.00 1.12 0.00 0.00 29.99 27.44 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 -2.42 3.74 -1.41 0.00 -1.26 -4.69 105.19 97.79 3i27 n GLY 205 Ca -0.04 -1.74 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.90 2.83 -0.45 0.00 5.36 0.32 -4.79 117.98 119.34 3i27 s PHE 207 Ca 0.75 -1.12 -0.26 0.00 -0.96 0.00 0.00 56.93 55.33 3i27 s PHE 207 Cb -0.29 -1.94 0.03 0.00 -0.34 0.00 0.00 43.02 40.47 3i27 s PHE 207 CO 0.42 -0.55 0.97 0.99 -1.46 0.00 0.00 175.22 175.59 3i27 s THR 208 N 1.05 4.43 0.05 0.12 2.01 -1.26 -0.60 115.64 121.44 3i27 s THR 208 Ca -0.01 0.91 -0.20 0.00 0.31 0.00 0.00 61.69 62.70 3i27 s THR 208 Cb -0.15 -4.46 0.05 0.00 0.01 0.00 0.00 72.50 67.95 3i27 s THR 208 CO -0.03 -0.83 0.47 0.28 -0.69 0.00 0.00 174.62 173.82 3i27 s THR 209 N 3.86 0.04 -1.51 -0.82 -1.32 -0.52 -4.89 115.64 110.48 3i27 s THR 209 Ca 0.39 -0.34 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 3i27 s THR 209 Cb -0.10 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 3i27 s THR 209 CO 0.26 -0.19 0.00 0.61 -2.21 0.00 0.00 174.62 173.10 3i27 n GLY 210 N 0.38 1.33 1.90 6.08 0.00 -1.26 -3.05 105.19 110.57 3i27 n GLY 210 Ca -0.18 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.18 0.73 3.48 -0.02 0.00 -1.26 -5.05 105.19 101.88 3i27 n GLY 211 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.43 0.43 -0.48 1.61 1.04 -1.17 -5.11 113.70 107.59 3i27 s SER 212 Ca 0.00 -1.27 -0.20 0.00 0.48 0.00 0.00 55.95 54.95 3i27 s SER 212 Cb 0.00 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.75 3i27 s SER 212 CO 0.00 -1.17 0.67 0.00 0.98 0.00 0.00 173.24 173.72 3i27 s LEU 214 N 2.88 4.35 0.37 0.00 1.43 0.23 -4.71 118.68 123.23 3i27 s LEU 214 Ca 0.20 0.48 -0.28 0.00 -1.03 0.00 0.00 54.13 53.51 3i27 s LEU 214 Cb -0.16 -2.86 -0.11 0.00 0.03 0.00 0.00 46.19 43.09 3i27 s LEU 214 CO 0.16 0.19 1.39 -2.65 0.23 0.00 0.00 176.35 175.68 3i27 n PRO 215 N 0.71 2.38 -3.53 1.29 -0.02 -1.26 -0.52 135.00 134.05 3i27 n PRO 215 Ca -0.08 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 61.82 3i27 n PRO 215 Cb 0.52 -2.51 -0.09 0.00 -0.02 0.00 0.00 33.50 31.40 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 -1.12 3.33 -0.21 6.00 5.36 0.23 -4.82 117.98 126.75 3i27 s PHE 216 Ca 0.55 -1.47 -0.03 0.00 -0.96 0.00 0.00 56.93 55.02 3i27 s PHE 216 Cb -0.51 -3.18 0.07 0.00 -0.34 0.00 0.00 43.02 39.05 3i27 s PHE 216 CO 0.62 -0.88 0.06 0.20 -1.46 0.00 0.00 175.22 173.76 3i27 s GLY 217 N 2.45 0.64 0.05 13.12 0.00 -1.26 -1.41 107.32 120.91 3i27 s GLY 217 Ca 0.04 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 44.04 3i27 s GLY 217 CO 0.02 1.57 -0.05 -1.34 0.00 0.00 0.00 173.10 173.30 3i27 s VAL 218 N 1.92 0.40 0.03 1.40 -7.23 -0.20 -1.54 120.40 115.18 3i27 s VAL 218 Ca 0.01 -1.40 -0.28 0.00 -1.81 0.00 0.00 61.98 58.51 3i27 s VAL 218 Cb -0.17 -0.98 0.08 0.00 0.56 0.00 0.00 36.38 35.87 3i27 s VAL 218 CO -0.12 -0.66 0.68 -0.94 -0.31 0.00 0.00 175.10 173.74 3i27 s SER 219 N -2.19 -0.59 -0.18 4.85 1.04 -0.68 -0.61 113.70 115.35 3i27 s SER 219 Ca -0.03 0.37 -0.03 0.00 0.48 0.00 0.00 55.95 56.74 3i27 s SER 219 Cb -0.02 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.62 3i27 s SER 219 CO -0.03 -0.74 -0.06 -0.31 0.98 0.00 0.00 173.24 173.08 3i27 s TYR 220 N -2.33 2.94 -0.03 5.02 2.02 0.15 -0.74 117.35 124.39 3i27 s TYR 220 Ca -0.05 -0.63 -0.02 0.00 -0.37 0.00 0.00 57.07 56.00 3i27 s TYR 220 Cb -0.00 -1.99 0.01 0.00 -0.40 0.00 0.00 41.96 39.57 3i27 s TYR 220 CO -0.01 -0.28 0.07 0.14 -1.57 0.00 0.00 175.55 173.90 3i27 s VAL 221 N 0.82 -0.00 0.17 0.71 -7.23 -0.38 -1.80 120.40 112.68 3i27 s VAL 221 Ca -0.02 0.01 0.03 0.00 -1.81 0.00 0.00 61.98 60.19 3i27 s VAL 221 Cb -0.15 -0.11 -0.01 0.00 0.56 0.00 0.00 36.38 36.67 3i27 s VAL 221 CO 0.01 0.00 0.11 -1.54 -0.31 0.00 0.00 175.10 173.38 3i27 n SER 222 N 3.09 0.12 0.25 4.85 3.41 0.31 -0.35 113.62 125.30 3i27 n SER 222 Ca -0.13 -2.04 0.16 0.00 -0.26 0.00 0.00 58.87 56.59 3i27 n SER 222 Cb 0.59 0.70 0.86 0.00 -0.26 0.00 0.00 64.21 66.10 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 0.91 0.00 0.00 4.04 3.32 -2.02 -2.97 116.42 119.70 3i27 h ASP 223 Ca -0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3i27 h ASP 223 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3i27 h ASP 223 CO 0.19 0.00 -0.05 -1.54 -1.72 0.00 0.00 179.24 176.11 3i27 n SER 224 N -3.88 1.64 -3.75 6.45 3.41 -1.26 -5.06 113.62 111.17 3i27 n SER 224 Ca -0.01 -2.23 -0.13 0.00 -0.26 0.00 0.00 58.87 56.24 3i27 n SER 224 Cb 0.19 -0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.39 -0.38 -0.16 7.33 5.36 -1.12 -5.13 117.98 122.48 3i27 s PHE 225 Ca 0.11 0.91 -0.07 0.00 -0.96 0.00 0.00 56.93 56.92 3i27 s PHE 225 Cb 0.09 0.14 0.07 0.00 -0.34 0.00 0.00 43.02 42.98 3i27 s PHE 225 CO 0.01 -0.22 0.36 -0.47 -1.46 0.00 0.00 175.22 173.44 3i27 s TYR 226 N 0.03 -0.57 -0.08 10.12 5.04 -1.26 -0.53 117.35 130.09 3i27 s TYR 226 Ca -0.01 1.20 -0.05 0.00 -2.44 0.00 0.00 57.07 55.77 3i27 s TYR 226 Cb -0.03 0.18 0.03 0.00 0.35 0.00 0.00 41.96 42.50 3i27 s TYR 226 CO 0.01 -0.36 0.20 -0.47 -1.34 0.00 0.00 175.55 173.59 3i27 s TYR 227 N 1.86 -0.24 0.21 4.97 5.04 -0.75 -5.03 117.35 123.42 3i27 s TYR 227 Ca -0.06 0.60 -0.23 0.00 -2.44 0.00 0.00 57.07 54.94 3i27 s TYR 227 Cb -0.10 0.03 0.04 0.00 0.35 0.00 0.00 41.96 42.28 3i27 s TYR 227 CO -0.11 -0.16 0.84 0.20 -1.34 0.00 0.00 175.55 174.97 3i27 s GLY 228 N 0.76 -0.17 -0.02 8.97 0.00 -1.26 -0.68 107.32 114.92 3i27 s GLY 228 Ca -0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 44.72 44.58 3i27 s GLY 228 CO -0.04 -0.04 0.05 -0.47 0.00 0.00 0.00 173.10 172.60 3i27 s TYR 229 N -3.59 -0.05 -0.08 1.90 5.04 0.23 -4.99 117.35 115.80 3i27 s TYR 229 Ca 0.11 0.14 -0.03 0.00 -2.44 0.00 0.00 57.07 54.85 3i27 s TYR 229 Cb -0.04 -0.00 0.04 0.00 0.35 0.00 0.00 41.96 42.31 3i27 s TYR 229 CO 0.04 -0.04 0.17 -0.47 -1.34 0.00 0.00 175.55 173.92 3i27 s TYR 230 N 0.14 -0.20 -0.15 4.97 5.04 -1.26 -1.03 117.35 124.86 3i27 s TYR 230 Ca -0.01 0.56 -0.07 0.00 -2.44 0.00 0.00 57.07 55.11 3i27 s TYR 230 Cb -0.02 -0.06 0.06 0.00 0.35 0.00 0.00 41.96 42.30 3i27 s TYR 230 CO -0.00 -0.19 0.35 0.34 -1.34 0.00 0.00 175.55 174.71 3i27 s ASP 231 N 1.23 -0.24 -0.12 4.32 -1.08 -0.50 -5.00 116.67 115.29 3i27 s ASP 231 Ca -0.09 0.77 0.16 0.00 -0.52 0.00 0.00 52.55 52.87 3i27 s ASP 231 Cb -0.11 0.79 0.27 0.00 -1.46 0.00 0.00 42.92 42.41 3i27 s ASP 231 CO -0.07 -0.20 1.14 0.00 0.52 0.00 0.00 175.17 176.56 3i27 n ALA 232 N 4.69 2.36 -1.71 3.66 0.00 -1.26 -0.60 120.51 127.66 3i27 n ALA 232 Ca -0.18 -2.48 -0.42 0.00 0.00 0.00 0.00 53.44 50.36 3i27 n ALA 232 Cb 0.52 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 3i27 n ALA 232 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i27 n THR 233 N -1.19 0.18 -1.84 0.00 -1.04 -1.26 -4.39 114.28 104.74 3i27 n THR 233 Ca 0.14 -0.03 -0.37 0.00 -2.04 0.00 0.00 64.05 61.75 3i27 n THR 233 Cb 0.66 -2.07 0.05 0.00 -1.82 0.00 0.00 70.33 67.15 3i27 n THR 233 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3i27 s PRO 234 N 1.93 2.90 0.53 -2.82 0.02 -1.26 -1.55 135.00 134.76 3i27 s PRO 234 Ca 0.78 2.06 -0.14 0.00 0.02 0.00 0.00 61.00 63.73 3i27 s PRO 234 Cb -0.49 -2.03 -0.06 0.00 0.02 0.00 0.00 34.50 31.94 3i27 s PRO 234 CO 0.34 -1.33 0.97 -0.65 -0.33 0.00 0.00 177.00 176.01 3i27 s GLN 235 N -3.17 3.81 -0.23 5.54 -1.52 -1.26 -4.87 119.66 117.95 3i27 s GLN 235 Ca 0.77 0.81 -0.08 0.00 -1.95 0.00 0.00 55.36 54.91 3i27 s GLN 235 Cb -0.37 -2.16 -0.04 0.00 -0.22 0.00 0.00 33.01 30.23 3i27 s GLN 235 CO 0.41 -0.33 0.09 0.42 -0.25 0.00 0.00 175.29 175.62 3i27 s ILE 236 N -2.77 4.61 0.00 1.08 1.01 -1.26 -5.01 121.20 118.86 3i27 s ILE 236 Ca 0.56 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 61.14 3i27 s ILE 236 Cb -0.10 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.23 3i27 s ILE 236 CO 0.39 0.36 0.00 0.61 0.00 0.00 0.00 174.94 176.30 3i27 n GLY 237 N 4.53 2.89 1.94 6.18 0.00 -1.26 -1.71 105.19 117.77 3i27 n GLY 237 Ca -0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 3i27 n GLY 237 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i27 n SER 238 N 2.18 4.98 -0.77 1.61 7.64 -1.26 -4.61 113.62 123.38 3i27 n SER 238 Ca 0.00 -3.17 0.05 0.00 1.01 0.00 0.00 58.87 56.75 3i27 n SER 238 Cb 0.00 -0.73 0.16 0.00 -1.01 0.00 0.00 64.21 62.63 3i27 n SER 238 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3i27 n THR 239 N -0.03 0.70 -1.67 0.44 -2.24 -0.69 -4.95 114.28 105.84 3i27 n THR 239 Ca 0.38 -0.50 -0.47 0.00 -2.27 0.00 0.00 64.05 61.19 3i27 n THR 239 Cb 1.34 0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 69.54 3i27 n THR 239 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3i27 n GLU 240 N 0.40 2.10 -3.82 -0.78 2.13 -1.26 -4.92 120.64 114.48 3i27 n GLU 240 Ca 0.11 0.76 -0.12 0.00 0.66 0.00 0.00 57.16 58.58 3i27 n GLU 240 Cb 0.41 -2.56 -0.12 0.00 0.27 0.00 0.00 31.44 29.44 3i27 n GLU 240 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3i27 s SER 241 N 2.21 -0.13 0.04 4.31 0.15 -1.26 -5.17 113.70 113.84 3i27 s SER 241 Ca 0.85 0.22 0.02 0.00 0.70 0.00 0.00 55.95 57.74 3i27 s SER 241 Cb -0.70 0.33 -0.02 0.00 -1.71 0.00 0.00 66.02 63.91 3i27 s SER 241 CO 0.44 -0.15 -0.08 -1.00 1.20 0.00 0.00 173.24 173.66 3i27 s HIS 242 N -0.29 0.69 -0.01 3.44 3.76 -1.26 -4.59 115.29 117.02 3i27 s HIS 242 Ca -0.04 -0.43 0.03 0.00 -0.15 0.00 0.00 55.06 54.48 3i27 s HIS 242 Cb -0.03 -0.41 -0.03 0.00 1.11 0.00 0.00 32.58 33.22 3i27 s HIS 242 CO 0.01 -0.06 -0.08 -0.51 -0.85 0.00 0.00 174.74 173.24 3i27 s ASP 243 N -1.34 4.51 -0.37 1.40 1.11 -1.26 -0.55 116.67 120.17 3i27 s ASP 243 Ca -0.07 -0.16 -0.25 0.00 0.18 0.00 0.00 52.55 52.25 3i27 s ASP 243 Cb -0.09 -1.03 0.01 0.00 1.07 0.00 0.00 42.92 42.89 3i27 s ASP 243 CO 0.00 0.29 0.90 -0.47 1.18 0.00 0.00 175.17 177.08 3i27 s TYR 244 N -0.95 3.08 0.06 4.23 5.04 -1.26 -1.53 117.35 126.02 3i27 s TYR 244 Ca 0.16 0.72 0.10 0.00 -2.44 0.00 0.00 57.07 55.61 3i27 s TYR 244 Cb -0.11 -3.62 -0.03 0.00 0.35 0.00 0.00 41.96 38.55 3i27 s TYR 244 CO 0.06 -0.82 -0.26 0.08 -1.34 0.00 0.00 175.55 173.26 3i27 s VAL 245 N 3.43 2.15 0.04 3.14 1.01 -0.16 -4.92 120.40 125.09 3i27 s VAL 245 Ca 0.37 -1.45 0.03 0.00 0.00 0.00 0.00 61.98 60.93 3i27 s VAL 245 Cb -0.12 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 3i27 s VAL 245 CO 0.19 0.31 -0.10 0.00 0.00 0.00 0.00 175.10 175.50 3i27 s ASP 247 N -1.23 3.59 -0.32 0.00 1.01 0.89 -4.96 116.67 115.65 3i27 s ASP 247 Ca -0.04 -0.42 -0.07 0.00 0.71 0.00 0.00 52.55 52.73 3i27 s ASP 247 Cb -0.08 -0.55 0.02 0.00 1.01 0.00 0.00 42.92 43.32 3i27 s ASP 247 CO 0.01 0.29 0.11 -0.31 0.21 0.00 0.00 175.17 175.47 3i27 s TYR 248 N -0.80 3.19 -0.07 4.23 1.51 -1.26 -0.64 117.35 123.50 3i27 s TYR 248 Ca 0.13 -1.07 -0.03 0.00 -1.01 0.00 0.00 57.07 55.08 3i27 s TYR 248 Cb -0.10 -2.29 -0.04 0.00 -0.11 0.00 0.00 41.96 39.42 3i27 s TYR 248 CO 0.02 -0.62 0.07 -0.51 -1.11 0.00 0.00 175.55 173.40 3i27 s LEU 249 N 1.49 3.92 -0.24 -1.29 1.43 0.54 -4.89 118.68 119.64 3i27 s LEU 249 Ca 0.01 0.24 -0.27 0.00 -1.03 0.00 0.00 54.13 53.08 3i27 s LEU 249 Cb -0.18 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.00 3i27 s LEU 249 CO 0.03 0.35 0.96 0.12 0.23 0.00 0.00 176.35 178.05 3i27 s PHE 250 N -1.03 3.32 -0.01 0.29 5.36 -1.26 -1.06 117.98 123.60 3i27 s PHE 250 Ca 0.17 1.34 0.01 0.00 -0.96 0.00 0.00 56.93 57.49 3i27 s PHE 250 Cb -0.12 -3.20 0.01 0.00 -0.34 0.00 0.00 43.02 39.37 3i27 s PHE 250 CO 0.07 -0.46 -0.04 -1.64 -1.46 0.00 0.00 175.22 171.69 3i27 s MET 251 N 3.08 0.44 0.53 10.12 -1.94 -0.06 -4.97 119.30 126.51 3i27 s MET 251 Ca 0.41 -0.12 -0.17 0.00 -1.71 0.00 0.00 55.69 54.10 3i27 s MET 251 Cb -0.15 -0.47 -0.07 0.00 2.01 0.00 0.00 34.83 36.16 3i27 s MET 251 CO 0.07 0.03 1.02 -1.21 -0.01 0.00 0.00 175.02 174.92 3i27 s GLU 252 N 0.25 3.69 0.61 2.03 2.02 -1.26 -0.05 118.70 125.99 3i27 s GLU 252 Ca -0.03 1.16 -0.19 0.00 0.02 0.00 0.00 54.97 55.94 3i27 s GLU 252 Cb -0.06 -2.09 -0.03 0.00 0.10 0.00 0.00 34.13 32.05 3i27 s GLU 252 CO -0.00 -0.50 1.20 -0.35 0.02 0.00 0.00 175.26 175.62 3i27 n PRO 253 N -1.53 1.18 -2.05 0.39 -0.04 -1.26 -4.86 135.00 126.82 3i27 n PRO 253 Ca 0.08 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 3i27 n PRO 253 Cb 0.53 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 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 1.01 -1.00 3.89 0.55 0.00 -0.10 -4.97 105.19 104.57 3i27 n GLY 254 Ca 0.14 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.53 5.49 0.06 2.61 2.01 -1.26 -1.09 115.64 121.93 3i27 s THR 255 Ca 0.00 0.13 -0.00 0.00 0.31 0.00 0.00 61.69 62.13 3i27 s THR 255 Cb 0.00 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 3i27 s THR 255 CO 0.00 0.55 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.13 3i27 s TYR 256 N -1.10 0.61 -0.19 4.92 2.02 -0.38 -4.82 117.35 118.42 3i27 s TYR 256 Ca 0.18 -0.97 -0.09 0.00 -0.37 0.00 0.00 57.07 55.81 3i27 s TYR 256 Cb -0.12 -0.41 -0.05 0.00 -0.40 0.00 0.00 41.96 40.98 3i27 s TYR 256 CO 0.07 -0.30 0.11 -0.80 -1.57 0.00 0.00 175.55 173.07 3i27 s ASN 257 N -2.82 6.06 -0.41 2.29 0.01 0.52 -1.10 114.94 119.49 3i27 s ASN 257 Ca 0.06 0.21 -0.22 0.00 -0.71 0.00 0.00 52.86 52.20 3i27 s ASN 257 Cb 0.06 -2.05 0.02 0.00 0.41 0.00 0.00 41.25 39.69 3i27 s ASN 257 CO -0.08 0.20 0.75 0.00 -1.51 0.00 0.00 177.10 176.46 3i27 s ALA 258 N 0.23 3.35 0.19 0.60 0.00 0.58 -1.25 121.76 125.47 3i27 s ALA 258 Ca 0.07 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.19 3i27 s ALA 258 Cb -0.11 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3i27 s ALA 258 CO -0.01 -1.72 -0.01 -1.12 0.00 0.00 0.00 175.76 172.90 3i27 s SER 259 N 2.00 4.67 -0.02 0.00 0.01 0.09 -1.41 113.70 119.04 3i27 s SER 259 Ca 0.29 -0.46 -0.10 0.00 1.31 0.00 0.00 55.95 56.99 3i27 s SER 259 Cb -0.13 -0.95 0.01 0.00 0.21 0.00 0.00 66.02 65.16 3i27 s SER 259 CO 0.20 0.07 0.21 0.28 0.41 0.00 0.00 173.24 174.41 3i27 s THR 260 N -1.84 0.06 -1.26 1.44 -1.32 -0.50 -1.68 115.64 110.54 3i27 s THR 260 Ca 0.28 -0.47 0.19 0.00 -1.21 0.00 0.00 61.69 60.48 3i27 s THR 260 Cb -0.09 -0.46 0.27 0.00 -1.51 0.00 0.00 72.50 70.71 3i27 s THR 260 CO 0.18 -0.26 1.60 1.33 -2.21 0.00 0.00 174.62 175.26 3i27 n VAL 261 N 1.75 0.53 0.00 5.08 0.24 -0.59 -1.94 118.33 123.40 3i27 n VAL 261 Ca -0.20 0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 3i27 n VAL 261 Cb 0.56 -0.81 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 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 0.38 4.62 5.00 7.63 0.00 -1.26 -3.29 105.19 118.28 3i27 n GLY 262 Ca 0.07 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.87 0.00 -3.45 1.61 3.00 -1.17 -4.79 118.16 111.49 3i27 n LYS 263 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.94 3i27 n LYS 263 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.96 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 3.49 -0.10 5.64 0.40 -1.26 0.50 117.98 126.64 3i27 s PHE 264 Ca 0.00 0.71 0.03 0.00 -0.60 0.00 0.00 56.93 57.07 3i27 s PHE 264 Cb 0.00 -2.42 0.01 0.00 0.51 0.00 0.00 43.02 41.12 3i27 s PHE 264 CO 0.00 0.22 -0.20 -1.17 0.70 0.00 0.00 175.22 174.77 3i27 s LEU 265 N 0.49 1.94 -0.12 -0.37 2.96 -0.04 -4.72 118.68 118.82 3i27 s LEU 265 Ca 0.20 -0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 53.62 3i27 s LEU 265 Cb -0.14 -1.24 0.02 0.00 0.50 0.00 0.00 46.19 45.34 3i27 s LEU 265 CO 0.06 0.10 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.40 3i27 s VAL 266 N 0.60 1.20 -0.01 1.68 1.01 -1.26 -1.26 120.40 122.37 3i27 s VAL 266 Ca -0.14 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 3i27 s VAL 266 Cb -0.17 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.03 3i27 s VAL 266 CO 0.04 0.40 0.13 -0.72 0.00 0.00 0.00 175.10 174.95 3i27 s TYR 267 N 1.63 0.02 0.48 5.22 -0.85 -0.96 -4.70 117.35 118.19 3i27 s TYR 267 Ca 0.05 -0.06 -0.19 0.00 -0.52 0.00 0.00 57.07 56.35 3i27 s TYR 267 Cb -0.13 -0.04 -0.09 0.00 0.38 0.00 0.00 41.96 42.09 3i27 s TYR 267 CO -0.09 -0.24 0.98 -1.25 -1.52 0.00 0.00 175.55 173.43 3i27 s PRO 268 N -1.12 4.00 0.00 -3.49 0.04 -1.26 -0.08 135.00 133.09 3i27 s PRO 268 Ca -0.12 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.03 3i27 s PRO 268 Cb -0.07 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3i27 s PRO 268 CO 0.01 -0.23 0.06 0.25 0.04 0.00 0.00 177.00 177.13 3i27 n THR 269 N -1.11 0.00 -3.92 1.26 -2.24 -1.26 -4.84 114.28 102.18 3i27 n THR 269 Ca 0.07 -0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.39 3i27 n THR 269 Cb 0.54 1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 69.72 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 -0.64 0.72 0.15 -0.78 1.02 -1.26 -0.22 119.74 118.72 3i27 s LYS 270 Ca 0.00 -0.92 -0.15 0.00 0.02 0.00 0.00 55.97 54.92 3i27 s LYS 270 Cb 0.00 0.28 0.02 0.00 -0.52 0.00 0.00 37.83 37.62 3i27 s LYS 270 CO 0.00 -0.20 0.40 -1.54 -0.92 0.00 0.00 175.35 173.09 3i27 s SER 271 N -2.60 -0.16 -0.46 2.83 1.04 -0.74 -4.73 113.70 108.88 3i27 s SER 271 Ca 0.02 -0.49 -0.23 0.00 0.48 0.00 0.00 55.95 55.73 3i27 s SER 271 Cb 0.03 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.67 3i27 s SER 271 CO -0.08 -0.91 0.79 -0.31 0.98 0.00 0.00 173.24 173.71 3i27 s TYR 272 N -3.86 2.98 -0.01 5.02 1.51 -0.83 -0.50 117.35 121.67 3i27 s TYR 272 Ca 0.07 0.14 -0.30 0.00 -1.01 0.00 0.00 57.07 55.98 3i27 s TYR 272 Cb 0.02 -3.69 -0.03 0.00 -0.11 0.00 0.00 41.96 38.15 3i27 s TYR 272 CO -0.07 -1.01 0.97 0.00 -1.11 0.00 0.00 175.55 174.33 3i27 s MET 274 N 1.04 0.69 0.00 0.00 -1.94 -0.65 -0.70 119.30 117.74 3i27 s MET 274 Ca 0.51 -0.63 0.00 0.00 -1.71 0.00 0.00 55.69 53.86 3i27 s MET 274 Cb -0.21 -0.61 0.00 0.00 2.01 0.00 0.00 34.83 36.02 3i27 s MET 274 CO 0.27 0.15 0.00 -0.40 -0.01 0.00 0.00 175.02 175.03 3i27 n ASP 275 N 1.99 0.00 -4.06 3.03 5.68 -1.09 -0.71 116.55 121.40 3i27 n ASP 275 Ca -0.18 -0.44 -0.25 0.00 -0.50 0.00 0.00 54.79 53.42 3i27 n ASP 275 Cb 0.55 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.37 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 0.96 1.22 0.21 2.12 2.01 -1.26 -4.21 115.64 116.68 3i27 s THR 276 Ca 0.00 -0.56 0.11 0.00 0.31 0.00 0.00 61.69 61.55 3i27 s THR 276 Cb 0.00 -1.08 -0.05 0.00 0.01 0.00 0.00 72.50 71.38 3i27 s THR 276 CO 0.00 0.37 -0.21 0.00 -0.69 0.00 0.00 174.62 174.08 3i27 s MET 277 N 0.38 1.51 -0.11 4.92 0.23 -0.86 -4.70 119.30 120.67 3i27 s MET 277 Ca -0.10 -1.58 0.17 0.00 -1.03 0.00 0.00 55.69 53.15 3i27 s MET 277 Cb -0.13 -1.70 0.68 0.00 -1.53 0.00 0.00 34.83 32.15 3i27 s MET 277 CO 0.03 0.35 1.58 0.27 -2.03 0.00 0.00 175.02 175.21 3i27 n ASN 278 N -0.01 4.54 -4.40 -1.18 0.23 -1.26 -4.68 115.26 108.49 3i27 n ASN 278 Ca -0.10 -2.45 -0.28 0.00 -0.53 0.00 0.00 54.58 51.22 3i27 n ASN 278 Cb 0.57 -0.57 -0.12 0.00 -2.08 0.00 0.00 39.78 37.58 3i27 n ASN 278 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 3i27 s ILE 279 N -1.89 2.29 -0.24 1.53 -4.36 -1.26 -5.13 121.20 112.14 3i27 s ILE 279 Ca 0.48 -1.90 -0.08 0.00 -0.26 0.00 0.00 60.65 58.89 3i27 s ILE 279 Cb 0.31 -2.05 -0.04 0.00 1.25 0.00 0.00 42.46 41.93 3i27 s ILE 279 CO 0.22 -0.03 0.10 -0.89 0.24 0.00 0.00 174.94 174.58 3i27 s THR 280 N -1.40 4.68 -0.11 8.37 2.01 -1.26 -4.57 115.64 123.37 3i27 s THR 280 Ca 0.17 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.12 3i27 s THR 280 Cb -0.09 -3.18 0.02 0.00 0.01 0.00 0.00 72.50 69.27 3i27 s THR 280 CO 0.08 0.35 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.58 3i27 s VAL 281 N 1.29 1.12 0.54 3.82 1.01 -0.34 -5.03 120.40 122.81 3i27 s VAL 281 Ca 0.05 -0.38 -0.22 0.00 0.00 0.00 0.00 61.98 61.44 3i27 s VAL 281 Cb -0.15 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 3i27 s VAL 281 CO 0.04 0.38 1.32 -2.84 0.00 0.00 0.00 175.10 174.00 3i27 s PRO 282 N 1.42 3.19 0.69 2.72 0.02 -1.26 -4.36 135.00 137.42 3i27 s PRO 282 Ca 0.00 2.14 -0.07 0.00 0.02 0.00 0.00 61.00 63.09 3i27 s PRO 282 Cb -0.13 -2.24 0.06 0.00 0.02 0.00 0.00 34.50 32.20 3i27 s PRO 282 CO -0.06 -1.12 1.00 0.14 -0.33 0.00 0.00 177.00 176.64 3i27 s VAL 283 N -1.36 2.42 -0.13 3.83 -7.23 -0.78 -4.70 120.40 112.46 3i27 s VAL 283 Ca 0.71 -0.23 0.03 0.00 -1.81 0.00 0.00 61.98 60.68 3i27 s VAL 283 Cb -0.38 -3.05 0.01 0.00 0.56 0.00 0.00 36.38 33.52 3i27 s VAL 283 CO 0.45 -0.05 -0.22 -1.10 -0.31 0.00 0.00 175.10 173.86 3i27 s GLN 284 N -5.22 3.04 -0.09 4.82 -0.21 -0.08 -0.03 119.66 121.90 3i27 s GLN 284 Ca 0.59 -0.85 0.04 0.00 0.02 0.00 0.00 55.36 55.17 3i27 s GLN 284 Cb -0.11 -2.42 -0.00 0.00 1.00 0.00 0.00 33.01 31.48 3i27 s GLN 284 CO 0.45 0.04 -0.24 0.00 -2.12 0.00 0.00 175.29 173.42 3i27 s ALA 285 N 0.69 2.11 -0.13 6.09 0.00 -0.36 0.09 121.76 130.25 3i27 s ALA 285 Ca -0.10 -0.96 -0.07 0.00 0.00 0.00 0.00 51.96 50.83 3i27 s ALA 285 Cb -0.16 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 3i27 s ALA 285 CO 0.01 0.31 0.12 0.08 0.00 0.00 0.00 175.76 176.28 3i27 s VAL 286 N 0.22 5.33 0.15 0.00 1.01 -0.20 -0.52 120.40 126.39 3i27 s VAL 286 Ca -0.15 0.15 -0.34 0.00 0.00 0.00 0.00 61.98 61.64 3i27 s VAL 286 Cb -0.17 -3.34 -0.14 0.00 0.00 0.00 0.00 36.38 32.73 3i27 s VAL 286 CO 0.07 0.58 1.58 1.67 0.00 0.00 0.00 175.10 179.00 3i27 n GLN 287 N 2.36 2.13 -3.95 2.72 -0.06 -0.55 -4.60 117.38 115.43 3i27 n GLN 287 Ca -0.19 0.77 -0.31 0.00 -2.00 0.00 0.00 57.00 55.27 3i27 n GLN 287 Cb 0.54 -2.53 -0.15 0.00 -4.06 0.00 0.00 30.24 24.04 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 0.97 4.55 0.21 1.69 0.15 -1.26 -4.86 113.70 115.14 3i27 s SER 288 Ca 0.79 -1.98 0.00 0.00 0.70 0.00 0.00 55.95 55.47 3i27 s SER 288 Cb -0.69 -1.42 -0.05 0.00 -1.71 0.00 0.00 66.02 62.16 3i27 s SER 288 CO 0.38 -0.38 0.09 0.27 1.20 0.00 0.00 173.24 174.80 3i27 s ILE 289 N 1.10 0.33 0.43 6.45 -4.36 -1.26 -3.82 121.20 120.08 3i27 s ILE 289 Ca 0.10 -1.98 -0.01 0.00 -0.26 0.00 0.00 60.65 58.49 3i27 s ILE 289 Cb -0.19 -2.43 -0.02 0.00 1.25 0.00 0.00 42.46 41.07 3i27 s ILE 289 CO -0.12 -0.13 0.66 0.26 0.24 0.00 0.00 174.94 175.84 3i27 s TRP 290 N -3.91 3.35 0.91 1.37 0.52 -1.26 -4.94 118.94 114.97 3i27 s TRP 290 Ca 0.34 0.37 -0.12 0.00 0.02 0.00 0.00 56.10 56.71 3i27 s TRP 290 Cb 0.07 -2.21 0.07 0.00 -1.15 0.00 0.00 33.47 30.25 3i27 s TRP 290 CO 0.10 -0.23 0.69 -1.13 0.02 0.00 0.00 176.95 176.40 3i27 n SER 291 N -2.04 -1.07 -0.02 2.95 3.41 -1.26 -4.49 113.62 111.09 3i27 n SER 291 Ca -0.00 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 3i27 n SER 291 Cb 0.57 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 3i27 n SER 291 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i27 n GLU 292 N -2.47 0.72 0.23 4.33 1.02 -1.26 -2.10 120.64 121.12 3i27 n GLU 292 Ca 0.09 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.39 3i27 n GLU 292 Cb 0.53 -1.01 0.63 0.00 -0.02 0.00 0.00 31.44 31.56 3i27 n GLU 292 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3i27 h GLN 293 N 0.01 0.00 -4.91 3.49 4.20 -1.97 -3.47 115.11 112.46 3i27 h GLN 293 Ca 0.00 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 3i27 h GLN 293 Cb 0.01 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.65 3i27 h GLN 293 CO 0.00 0.00 -0.69 0.71 -0.67 0.00 0.00 178.83 178.18 3i27 s TYR 294 N -3.56 1.23 -0.21 2.96 1.51 -0.89 -5.12 117.35 113.27 3i27 s TYR 294 Ca 0.02 -0.90 -0.27 0.00 -1.01 0.00 0.00 57.07 54.92 3i27 s TYR 294 Cb 0.09 -0.68 -0.00 0.00 -0.11 0.00 0.00 41.96 41.26 3i27 s TYR 294 CO 0.49 -0.07 0.91 0.00 -1.11 0.00 0.00 175.55 175.77 3i27 s ALA 295 N -3.50 3.60 0.50 3.71 0.00 -1.26 -4.83 121.76 119.98 3i27 s ALA 295 Ca 0.20 0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.28 3i27 s ALA 295 Cb 0.05 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.82 3i27 s ALA 295 CO 0.02 -0.86 0.44 -1.12 0.00 0.00 0.00 175.76 174.23 3i27 s SER 296 N 1.23 4.82 0.39 0.00 0.01 -1.26 -2.39 113.70 116.49 3i27 s SER 296 Ca 0.40 -1.03 0.04 0.00 1.31 0.00 0.00 55.95 56.67 3i27 s SER 296 Cb -0.16 0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.08 3i27 s SER 296 CO 0.09 -0.96 0.11 1.51 0.41 0.00 0.00 173.24 174.40 3i27 s ASP 297 N -4.26 2.65 -0.32 2.44 -4.77 -1.26 -4.67 116.67 106.47 3i27 s ASP 297 Ca 0.43 -1.59 0.08 0.00 -3.30 0.00 0.00 52.55 48.16 3i27 s ASP 297 Cb -0.03 0.36 0.50 0.00 -1.09 0.00 0.00 42.92 42.66 3i27 s ASP 297 CO 0.26 -0.85 1.47 -0.67 0.70 0.00 0.00 175.17 176.08 3i27 n ASP 298 N -1.13 3.21 -0.27 2.11 2.03 -1.26 -4.76 116.55 116.48 3i27 n ASP 298 Ca -0.05 -3.80 -0.03 0.00 0.52 0.00 0.00 54.79 51.43 3i27 n ASP 298 Cb 0.65 -0.62 0.14 0.00 -0.72 0.00 0.00 41.12 40.57 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 1.26 1.22 -0.05 -1.67 0.00 -1.97 -0.83 119.26 117.21 3i27 h ALA 299 Ca 0.27 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3i27 h ALA 299 Cb 1.57 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3i27 h ALA 299 CO 0.54 0.61 0.02 0.82 0.00 0.00 0.00 179.25 181.24 3i27 h ILE 300 N 1.13 1.15 -0.65 0.00 1.08 -1.94 0.82 117.51 119.10 3i27 h ILE 300 Ca 0.28 -0.45 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 3i27 h ILE 300 Cb 0.07 1.35 -0.03 0.00 -3.07 0.00 0.00 36.82 35.14 3i27 h ILE 300 CO -0.04 0.13 0.41 1.23 -0.69 0.00 0.00 178.15 179.19 3i27 h GLY 301 N -0.09 0.92 1.99 5.37 0.00 -1.84 0.52 103.07 109.95 3i27 h GLY 301 Ca 0.02 -0.36 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 3i27 h GLY 301 CO -0.00 0.35 -0.69 1.46 0.00 0.00 0.00 176.54 177.65 3i27 h GLN 302 N 0.89 0.01 0.07 4.80 1.08 -0.99 -3.30 115.11 117.67 3i27 h GLN 302 Ca 0.24 -0.01 -0.26 0.00 -1.45 0.00 0.00 58.65 57.17 3i27 h GLN 302 Cb -0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 3i27 h GLN 302 CO -0.05 0.70 -1.23 0.00 -0.95 0.00 0.00 178.83 177.30 3i27 h ALA 303 N 1.30 0.26 -2.03 3.87 0.00 -0.49 -3.43 119.26 118.74 3i27 h ALA 303 Ca -0.01 -0.97 -0.70 0.00 0.00 0.00 0.00 54.91 53.23 3i27 h ALA 303 Cb 1.23 0.02 -0.19 0.00 0.00 0.00 0.00 17.79 18.86 3i27 h ALA 303 CO 0.09 1.14 0.70 0.00 0.00 0.00 0.00 179.25 181.19 3i27 s LYS 305 N 2.42 1.19 0.51 0.00 -0.14 -1.26 -4.45 119.74 118.01 3i27 s LYS 305 Ca 0.30 -1.22 -0.22 0.00 -1.36 0.00 0.00 55.97 53.46 3i27 s LYS 305 Cb -0.07 -1.47 -0.07 0.00 -1.68 0.00 0.00 37.83 34.54 3i27 s LYS 305 CO -0.08 0.34 1.21 0.00 -0.76 0.00 0.00 175.35 176.06 3i27 n ALA 306 N 0.96 1.04 0.31 5.17 0.00 -1.23 -1.39 120.51 125.36 3i27 n ALA 306 Ca -0.18 0.15 0.11 0.00 0.00 0.00 0.00 53.44 53.52 3i27 n ALA 306 Cb 0.54 -2.25 0.26 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 -0.58 2.43 -0.00 0.00 -0.04 -1.26 -4.85 135.00 130.70 3i27 n PRO 307 Ca 0.10 -2.17 0.09 0.00 -0.04 0.00 0.00 63.50 61.47 3i27 n PRO 307 Cb 0.43 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.28 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 1.34 0.00 -3.80 0.54 4.11 -0.76 -4.74 117.16 113.85 3i27 n TYR 308 Ca 0.20 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.97 3i27 n TYR 308 Cb 0.56 -0.13 -0.11 0.00 -0.00 0.00 0.00 39.34 39.66 3i27 n TYR 308 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3i27 s ILE 310 N -0.15 4.22 -0.25 0.00 1.01 0.96 -3.54 121.20 123.45 3i27 s ILE 310 Ca -0.03 -0.72 -0.14 0.00 0.00 0.00 0.00 60.65 59.76 3i27 s ILE 310 Cb -0.03 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 3i27 s ILE 310 CO 0.01 -0.02 0.35 0.12 0.00 0.00 0.00 174.94 175.40 3i27 s PHE 311 N 1.53 3.28 -0.61 3.97 5.36 -1.26 -1.23 117.98 129.02 3i27 s PHE 311 Ca 0.02 0.42 -0.15 0.00 -0.96 0.00 0.00 56.93 56.27 3i27 s PHE 311 Cb -0.18 -2.52 0.15 0.00 -0.34 0.00 0.00 43.02 40.13 3i27 s PHE 311 CO 0.04 -0.14 0.55 0.71 -1.46 0.00 0.00 175.22 174.92 3i27 s TYR 312 N 1.78 3.40 0.60 10.12 2.02 0.33 -4.94 117.35 130.65 3i27 s TYR 312 Ca 0.15 -1.54 -0.10 0.00 -0.37 0.00 0.00 57.07 55.21 3i27 s TYR 312 Cb -0.15 -3.77 -0.03 0.00 -0.40 0.00 0.00 41.96 37.61 3i27 s TYR 312 CO 0.09 -1.01 0.98 1.21 -1.57 0.00 0.00 175.55 175.25 3i27 s ASN 313 N 3.12 6.10 0.01 2.29 3.84 -1.26 -1.48 114.94 127.56 3i27 s ASN 313 Ca 0.07 1.24 -0.19 0.00 0.21 0.00 0.00 52.86 54.20 3i27 s ASN 313 Cb -0.25 -2.31 -0.06 0.00 -0.55 0.00 0.00 41.25 38.08 3i27 s ASN 313 CO -0.00 -0.88 0.54 -0.54 -2.79 0.00 0.00 177.10 173.43 3i27 s LYS 314 N -5.10 4.22 0.00 0.43 1.02 -1.26 -4.87 119.74 114.17 3i27 s LYS 314 Ca 0.54 0.65 0.23 0.00 0.02 0.00 0.00 55.97 57.41 3i27 s LYS 314 Cb -0.11 -3.30 0.17 0.00 -0.52 0.00 0.00 37.83 34.07 3i27 s LYS 314 CO 0.51 0.49 1.18 0.25 -0.92 0.00 0.00 175.35 176.87 3i27 n THR 315 N 2.33 0.00 -4.42 2.17 -2.24 -1.26 -4.92 114.28 105.94 3i27 n THR 315 Ca -0.09 -0.05 -0.23 0.00 -2.27 0.00 0.00 64.05 61.40 3i27 n THR 315 Cb 0.51 0.71 -0.10 0.00 -2.10 0.00 0.00 70.33 69.35 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 -2.86 2.22 1.19 4.28 -4.23 -1.26 -5.14 115.64 109.84 3i27 s THR 316 Ca 0.13 -2.24 -0.14 0.00 -1.18 0.00 0.00 61.69 58.26 3i27 s THR 316 Cb 0.17 -2.16 0.30 0.00 1.34 0.00 0.00 72.50 72.15 3i27 s THR 316 CO 0.73 -0.38 1.02 -2.16 -0.54 0.00 0.00 174.62 173.29 3i27 s PRO 317 N -3.29 -1.16 -0.20 3.99 0.04 -1.26 -4.91 135.00 128.21 3i27 s PRO 317 Ca 0.25 0.74 -0.29 0.00 0.04 0.00 0.00 61.00 61.73 3i27 s PRO 317 Cb -0.05 -1.53 -0.02 0.00 0.04 0.00 0.00 34.50 32.94 3i27 s PRO 317 CO 0.11 -3.86 1.46 -0.47 0.04 0.00 0.00 177.00 174.29 3i27 s TYR 318 N -2.46 2.40 -0.27 0.56 5.04 -1.26 -4.94 117.35 116.42 3i27 s TYR 318 Ca 0.68 0.68 -0.03 0.00 -2.44 0.00 0.00 57.07 55.96 3i27 s TYR 318 Cb -0.24 -3.84 0.09 0.00 0.35 0.00 0.00 41.96 38.32 3i27 s TYR 318 CO 0.64 -2.49 0.10 0.99 -1.34 0.00 0.00 175.55 173.46 3i27 s THR 319 N 4.42 0.29 -0.22 4.34 2.01 -1.26 -4.56 115.64 120.66 3i27 s THR 319 Ca 0.64 -0.87 -0.10 0.00 0.31 0.00 0.00 61.69 61.67 3i27 s THR 319 Cb -0.23 -1.16 -0.05 0.00 0.01 0.00 0.00 72.50 71.07 3i27 s THR 319 CO 0.24 -0.60 0.13 -0.69 -0.69 0.00 0.00 174.62 173.01 3i27 s VAL 320 N 1.93 5.19 -0.05 3.82 1.01 -1.26 -2.06 120.40 128.97 3i27 s VAL 320 Ca 0.07 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.23 3i27 s VAL 320 Cb -0.17 -3.40 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 3i27 s VAL 320 CO -0.27 0.38 0.07 0.35 0.00 0.00 0.00 175.10 175.62 3i27 n THR 321 N 4.09 0.32 -3.13 3.92 -2.24 -1.26 -4.85 114.28 111.14 3i27 n THR 321 Ca -0.15 -0.25 -0.21 0.00 -2.27 0.00 0.00 64.05 61.16 3i27 n THR 321 Cb 0.52 -0.46 -0.05 0.00 -2.10 0.00 0.00 70.33 68.24 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 -2.10 -0.10 -0.55 3.42 5.15 -1.26 -5.11 115.26 114.71 3i27 n ASN 322 Ca -0.08 -2.84 0.00 0.00 -0.60 0.00 0.00 54.58 51.05 3i27 n ASN 322 Cb 0.56 -0.31 0.00 0.00 -0.53 0.00 0.00 39.78 39.50 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 1.19 4.84 0.08 8.20 0.00 -1.26 -4.94 105.19 113.31 3i27 n GLY 323 Ca 0.20 -1.62 -0.05 0.00 0.00 0.00 0.00 46.02 44.55 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 0.00 0.00 -2.58 1.61 4.64 -1.26 -3.48 113.55 112.48 3i27 h SER 324 Ca 0.00 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.46 3i27 h SER 324 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3i27 h SER 324 CO 0.00 0.86 0.57 -0.90 -0.87 0.00 0.00 176.83 176.48 3i27 n ASP 325 N -3.11 -1.79 0.22 4.97 5.68 -1.26 -5.01 116.55 116.25 3i27 n ASP 325 Ca -0.09 -1.97 0.15 0.00 -0.50 0.00 0.00 54.79 52.38 3i27 n ASP 325 Cb 0.94 2.91 0.77 0.00 -1.14 0.00 0.00 41.12 44.61 3i27 n ASP 325 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i27 h ALA 326 N 2.00 1.00 -0.31 2.12 0.00 -1.94 -2.57 119.26 119.56 3i27 h ALA 326 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3i27 h ALA 326 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3i27 h ALA 326 CO 0.37 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.71 3i27 n ASN 327 N -2.57 3.02 -3.64 0.00 3.02 -1.26 -4.50 115.26 109.34 3i27 n ASN 327 Ca -0.01 -2.17 -0.23 0.00 -0.03 0.00 0.00 54.58 52.14 3i27 n ASN 327 Cb 0.10 -0.27 -0.17 0.00 -0.61 0.00 0.00 39.78 38.82 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 -1.31 0.12 0.00 3.10 3.76 -0.97 -4.91 115.29 115.08 3i27 s HIS 328 Ca 0.25 -0.03 0.00 0.00 -0.15 0.00 0.00 55.06 55.13 3i27 s HIS 328 Cb 0.15 -0.58 0.00 0.00 1.11 0.00 0.00 32.58 33.26 3i27 s HIS 328 CO 0.14 -0.37 0.00 0.41 -0.85 0.00 0.00 174.74 174.07 3i27 n GLY 329 N 5.29 0.86 3.70 -2.22 0.00 -1.26 -2.48 105.19 109.08 3i27 n GLY 329 Ca -0.05 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 -0.56 6.69 0.16 1.61 3.68 -1.26 -4.36 116.67 122.63 3i27 s ASP 330 Ca 0.00 2.40 -0.16 0.00 2.13 0.00 0.00 52.55 56.92 3i27 s ASP 330 Cb 0.00 -2.57 0.05 0.00 -1.45 0.00 0.00 42.92 38.95 3i27 s ASP 330 CO 0.00 -0.80 1.78 0.44 0.13 0.00 0.00 175.17 176.72 3i27 h ASP 331 N 7.71 0.30 0.28 -0.34 3.32 -1.80 -0.47 116.42 125.42 3i27 h ASP 331 Ca -0.41 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 3i27 h ASP 331 Cb 1.20 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3i27 h ASP 331 CO 0.91 0.22 -0.13 -0.08 -1.72 0.00 0.00 179.24 178.43 3i27 h GLU 332 N 0.41 -0.36 -0.46 3.56 4.81 -1.92 -1.27 114.58 119.36 3i27 h GLU 332 Ca 0.16 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 3i27 h GLU 332 Cb 0.06 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3i27 h GLU 332 CO -0.11 -0.20 0.11 0.28 -0.73 0.00 0.00 179.01 178.36 3i27 h VAL 333 N -0.42 1.20 -0.95 0.32 2.07 -1.91 -0.93 116.25 115.64 3i27 h VAL 333 Ca -0.04 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.76 3i27 h VAL 333 Cb 0.32 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3i27 h VAL 333 CO 0.06 0.27 0.62 0.03 0.02 0.00 0.00 177.57 178.56 3i27 h ARG 334 N 0.67 1.26 -0.45 1.57 3.08 -0.88 -0.21 114.38 119.43 3i27 h ARG 334 Ca 0.15 -0.09 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 3i27 h ARG 334 Cb 0.26 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3i27 h ARG 334 CO -0.00 0.85 -0.14 1.98 -1.07 0.00 0.00 179.97 181.59 3i27 h MET 335 N 1.30 0.88 -0.75 0.04 4.05 -0.33 -2.98 114.93 117.14 3i27 h MET 335 Ca 0.35 -0.35 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 3i27 h MET 335 Cb -0.13 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.60 3i27 h MET 335 CO -0.07 1.00 0.40 0.52 0.23 0.00 0.00 176.91 178.98 3i27 h MET 336 N 0.72 1.05 0.00 0.39 2.86 -0.55 -2.61 114.93 116.78 3i27 h MET 336 Ca 0.11 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3i27 h MET 336 Cb 0.69 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3i27 h MET 336 CO 0.05 0.79 0.00 0.52 1.06 0.00 0.00 176.91 179.33 3i27 h MET 337 N 1.03 0.00 -0.44 1.72 2.07 -0.96 -1.81 114.93 116.55 3i27 h MET 337 Ca 0.26 0.00 0.13 0.00 -2.07 0.00 0.00 59.70 58.02 3i27 h MET 337 Cb 0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.77 3i27 h MET 337 CO -0.04 0.00 0.32 1.96 1.07 0.00 0.00 176.91 180.22 3i27 h GLN 338 N 0.00 0.00 -0.63 1.72 1.08 -1.31 -2.21 115.11 113.75 3i27 h GLN 338 Ca 0.00 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.36 3i27 h GLN 338 Cb 0.48 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.87 3i27 h GLN 338 CO 0.00 0.00 0.44 0.78 -0.95 0.00 0.00 178.83 179.10 3i27 h GLY 339 N 0.00 0.26 1.70 3.46 0.00 -1.48 -1.35 103.07 105.66 3i27 h GLY 339 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3i27 h GLY 339 CO -0.00 0.02 0.00 1.04 0.00 0.00 0.00 176.54 177.60 3i27 n LEU 340 N -4.41 0.00 -0.10 3.11 4.77 -0.83 -3.04 117.00 116.49 3i27 n LEU 340 Ca 0.12 0.35 0.14 0.00 -0.03 0.00 0.00 56.01 56.59 3i27 n LEU 340 Cb 0.60 -0.35 0.60 0.00 -2.33 0.00 0.00 43.42 41.94 3i27 n LEU 340 CO 0.35 -0.11 0.86 0.18 -1.33 0.00 0.00 177.39 177.35 3i27 n LEU 341 N -1.35 0.44 -4.62 2.23 4.77 -0.51 -4.84 117.00 113.13 3i27 n LEU 341 Ca 0.08 0.03 -0.25 0.00 -0.03 0.00 0.00 56.01 55.85 3i27 n LEU 341 Cb 0.19 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 40.99 3i27 n LEU 341 CO 0.17 0.08 -0.36 0.00 -1.33 0.00 0.00 177.39 175.95 3i27 s ARG 342 N -2.52 2.22 -0.31 3.23 3.03 -1.17 -5.09 118.95 118.34 3i27 s ARG 342 Ca 0.27 -1.31 -0.21 0.00 2.03 0.00 0.00 55.73 56.52 3i27 s ARG 342 Cb 0.20 -2.19 -0.01 0.00 -1.03 0.00 0.00 34.95 31.92 3i27 s ARG 342 CO 0.49 0.41 0.66 -0.80 -1.13 0.00 0.00 175.30 174.93 3i27 s ASN 343 N -3.23 6.52 0.57 -2.89 0.01 -1.26 -4.39 114.94 110.28 3i27 s ASN 343 Ca 0.28 0.43 0.10 0.00 -0.71 0.00 0.00 52.86 52.96 3i27 s ASN 343 Cb -0.08 -2.35 0.09 0.00 0.41 0.00 0.00 41.25 39.32 3i27 s ASN 343 CO 0.18 -0.52 0.78 -0.44 -1.51 0.00 0.00 177.10 175.58 3i27 s SER 344 N 1.66 5.08 -0.01 -1.22 0.01 -0.29 -4.90 113.70 114.02 3i27 s SER 344 Ca 0.27 -0.87 0.08 0.00 1.31 0.00 0.00 55.95 56.74 3i27 s SER 344 Cb -0.15 0.32 -0.12 0.00 0.21 0.00 0.00 66.02 66.28 3i27 s SER 344 CO 0.12 -1.34 0.18 -1.20 0.41 0.00 0.00 173.24 171.41 3i27 n SER 345 N -2.23 3.13 -3.86 2.44 7.64 0.39 -4.25 113.62 116.88 3i27 n SER 345 Ca 0.15 -0.01 -0.19 0.00 1.01 0.00 0.00 58.87 59.83 3i27 n SER 345 Cb 0.62 1.36 -0.16 0.00 -1.01 0.00 0.00 64.21 65.01 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 0.97 2.19 0.24 0.00 -1.09 -0.26 -1.88 121.20 121.37 3i27 s ILE 347 Ca -0.10 -0.97 -0.15 0.00 -2.23 0.00 0.00 60.65 57.20 3i27 s ILE 347 Cb -0.14 -1.85 0.00 0.00 -1.58 0.00 0.00 42.46 38.90 3i27 s ILE 347 CO -0.01 0.55 0.52 -0.94 -1.23 0.00 0.00 174.94 173.84 3i27 s SER 348 N 0.37 -0.14 0.61 3.58 1.04 -0.88 -1.41 113.70 116.87 3i27 s SER 348 Ca -0.17 -0.82 0.39 0.00 0.48 0.00 0.00 55.95 55.83 3i27 s SER 348 Cb -0.18 0.61 1.91 0.00 0.10 0.00 0.00 66.02 68.46 3i27 s SER 348 CO 0.08 -1.16 2.19 -0.65 0.98 0.00 0.00 173.24 174.68 3i27 h PRO 349 N 2.21 0.00 0.00 4.02 0.11 -1.77 -1.23 132.00 135.34 3i27 h PRO 349 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 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 0.34 0.01 -0.17 1.04 -0.21 0.00 0.00 178.00 179.01 3i27 n GLN 350 N -3.11 0.21 0.00 1.05 3.00 -1.26 -4.87 117.38 112.40 3i27 n GLN 350 Ca -0.01 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 3i27 n GLN 350 Cb 0.18 -1.71 0.00 0.00 0.00 0.00 0.00 30.24 28.72 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 0.40 3.84 1.08 0.00 -0.47 -3.66 105.19 107.74 3i27 n GLY 351 Ca 0.05 -2.29 -0.25 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 5.73 0.07 1.61 1.04 -0.62 -2.08 113.70 115.45 3i27 s SER 352 Ca 0.00 -0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.37 3i27 s SER 352 Cb 0.00 -1.55 -0.03 0.00 0.10 0.00 0.00 66.02 64.53 3i27 s SER 352 CO 0.00 0.04 -0.07 0.42 0.98 0.00 0.00 173.24 174.62 3i27 s THR 353 N -1.81 0.60 0.38 2.02 -4.23 -0.79 -0.45 115.64 111.37 3i27 s THR 353 Ca 0.32 -1.60 -0.06 0.00 -1.18 0.00 0.00 61.69 59.17 3i27 s THR 353 Cb -0.10 -1.25 0.09 0.00 1.34 0.00 0.00 72.50 72.58 3i27 s THR 353 CO 0.25 -0.69 0.48 -0.81 -0.54 0.00 0.00 174.62 173.31 3i27 n PRO 354 N 0.55 -0.72 -2.22 3.99 -0.04 -1.26 -0.46 135.00 134.84 3i27 n PRO 354 Ca -0.16 -0.75 -0.42 0.00 -0.04 0.00 0.00 63.50 62.13 3i27 n PRO 354 Cb 0.58 -0.53 -0.03 0.00 -0.04 0.00 0.00 33.50 33.49 3i27 n PRO 354 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3i27 s LEU 355 N 0.00 4.27 0.07 1.53 2.96 -1.26 -4.53 118.68 121.71 3i27 s LEU 355 Ca 0.28 1.99 -0.19 0.00 -0.22 0.00 0.00 54.13 55.99 3i27 s LEU 355 Cb -0.01 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.18 3i27 s LEU 355 CO 0.20 -0.81 0.45 0.00 -1.32 0.00 0.00 176.35 174.87 3i27 s ALA 356 N 3.43 -1.12 0.01 5.97 0.00 -1.26 -5.05 121.76 123.74 3i27 s ALA 356 Ca 0.64 0.34 -0.22 0.00 0.00 0.00 0.00 51.96 52.71 3i27 s ALA 356 Cb -0.28 0.45 -0.17 0.00 0.00 0.00 0.00 23.12 23.11 3i27 s ALA 356 CO 0.23 -0.52 1.28 -0.07 0.00 0.00 0.00 175.76 176.68 3i27 h LEU 357 N 2.77 0.26 -8.70 0.00 3.38 -1.93 -3.33 115.31 107.76 3i27 h LEU 357 Ca -0.32 -0.53 -0.56 0.00 0.09 0.00 0.00 57.88 56.57 3i27 h LEU 357 Cb 1.22 -0.08 -0.21 0.00 0.09 0.00 0.00 40.66 41.68 3i27 h LEU 357 CO 0.43 0.74 -0.82 -0.31 0.09 0.00 0.00 178.44 178.57 3i27 s TYR 358 N -4.12 1.81 0.03 1.13 1.51 -1.26 -1.59 117.35 114.86 3i27 s TYR 358 Ca -0.15 -0.42 0.06 0.00 -1.01 0.00 0.00 57.07 55.55 3i27 s TYR 358 Cb 0.04 -0.98 -0.03 0.00 -0.11 0.00 0.00 41.96 40.88 3i27 s TYR 358 CO 0.73 0.23 -0.15 0.45 -1.11 0.00 0.00 175.55 175.70 3i27 s SER 359 N -2.02 4.05 0.39 2.29 0.15 0.10 -0.78 113.70 117.87 3i27 s SER 359 Ca 0.08 -0.34 0.28 0.00 0.70 0.00 0.00 55.95 56.67 3i27 s SER 359 Cb -0.09 -0.75 1.15 0.00 -1.71 0.00 0.00 66.02 64.62 3i27 s SER 359 CO 0.05 0.26 1.83 0.71 1.20 0.00 0.00 173.24 177.29 3i27 h THR 360 N 3.89 0.00 -3.96 6.45 1.35 -0.99 -1.73 112.91 117.92 3i27 h THR 360 Ca -0.48 -0.35 -0.12 0.00 -0.55 0.00 0.00 66.41 64.91 3i27 h THR 360 Cb 1.16 1.20 -0.13 0.00 -1.73 0.00 0.00 68.15 68.65 3i27 h THR 360 CO 0.50 0.00 -0.36 -1.83 -0.25 0.00 0.00 175.52 173.57 3i27 s GLU 361 N -3.47 1.14 0.22 4.72 -1.05 -1.26 -4.85 118.70 114.15 3i27 s GLU 361 Ca 0.03 -1.22 -0.31 0.00 -0.15 0.00 0.00 54.97 53.32 3i27 s GLU 361 Cb 0.09 0.36 -0.11 0.00 -0.44 0.00 0.00 34.13 34.03 3i27 s GLU 361 CO 0.46 -0.41 1.61 1.41 0.95 0.00 0.00 175.26 179.28 3i27 s MET 362 N -3.98 4.17 -0.31 -4.83 -2.45 -1.26 -4.53 119.30 106.10 3i27 s MET 362 Ca 0.19 2.49 -0.12 0.00 -1.25 0.00 0.00 55.69 57.00 3i27 s MET 362 Cb 0.04 -3.09 -0.03 0.00 1.25 0.00 0.00 34.83 33.00 3i27 s MET 362 CO 0.01 -0.64 0.24 0.42 1.05 0.00 0.00 175.02 176.10 3i27 s ILE 363 N 0.71 5.28 0.65 10.11 1.01 -1.26 -4.96 121.20 132.74 3i27 s ILE 363 Ca 0.68 0.02 0.01 0.00 0.00 0.00 0.00 60.65 61.36 3i27 s ILE 363 Cb -0.47 -3.65 0.13 0.00 0.01 0.00 0.00 42.46 38.48 3i27 s ILE 363 CO 0.37 0.10 0.89 -1.22 0.00 0.00 0.00 174.94 175.08 3i27 n TYR 364 N 5.13 -2.90 -4.03 3.97 4.01 -1.26 -5.06 117.16 117.02 3i27 n TYR 364 Ca -0.13 -1.65 -0.27 0.00 -0.16 0.00 0.00 57.90 55.70 3i27 n TYR 364 Cb 0.51 -0.65 -0.05 0.00 -0.31 0.00 0.00 39.34 38.84 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 -4.81 3.09 0.37 -0.72 0.41 -1.26 -4.06 118.70 111.73 3i27 s GLU 365 Ca 0.60 -0.74 -0.25 0.00 -0.41 0.00 0.00 54.97 54.16 3i27 s GLU 365 Cb -0.04 -2.78 -0.09 0.00 -1.78 0.00 0.00 34.13 29.45 3i27 s GLU 365 CO 0.39 0.51 1.05 -2.14 -0.49 0.00 0.00 175.26 174.59 3i27 s PRO 366 N -3.03 4.30 0.07 0.39 0.02 -1.26 -4.81 135.00 130.68 3i27 s PRO 366 Ca 0.32 1.56 0.01 0.00 0.02 0.00 0.00 61.00 62.91 3i27 s PRO 366 Cb -0.11 -2.70 -0.04 0.00 0.02 0.00 0.00 34.50 31.67 3i27 s PRO 366 CO 0.25 -0.03 -0.05 0.54 -0.33 0.00 0.00 177.00 177.38 3i27 s ASN 367 N -1.42 0.81 0.20 2.53 2.20 -1.26 -3.76 114.94 114.24 3i27 s ASN 367 Ca 0.54 -0.92 -0.07 0.00 -0.94 0.00 0.00 52.86 51.47 3i27 s ASN 367 Cb -0.24 0.13 -0.02 0.00 -2.00 0.00 0.00 41.25 39.12 3i27 s ASN 367 CO 0.30 -0.48 0.27 -0.72 -2.94 0.00 0.00 177.10 173.53 3i27 s TYR 368 N -3.36 0.70 0.00 1.54 -0.85 -0.50 -4.99 117.35 109.88 3i27 s TYR 368 Ca 0.06 -1.01 0.00 0.00 -0.52 0.00 0.00 57.07 55.60 3i27 s TYR 368 Cb 0.04 -0.19 0.00 0.00 0.38 0.00 0.00 41.96 42.18 3i27 s TYR 368 CO -0.06 -0.76 0.00 0.41 -1.52 0.00 0.00 175.55 173.62 3i27 n GLY 369 N -0.27 -0.65 3.30 5.49 0.00 -1.26 -1.10 105.19 110.69 3i27 n GLY 369 Ca -0.02 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 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 5.02 -0.13 1.61 0.15 -0.03 -4.94 113.70 111.39 3i27 s SER 370 Ca 0.00 -0.84 -0.04 0.00 0.70 0.00 0.00 55.95 55.77 3i27 s SER 370 Cb 0.00 -1.84 -0.03 0.00 -1.71 0.00 0.00 66.02 62.44 3i27 s SER 370 CO 0.00 -0.21 0.02 0.00 1.20 0.00 0.00 173.24 174.25 3i27 s PRO 372 N -0.29 1.92 -0.01 0.00 0.02 -1.25 -5.01 135.00 130.38 3i27 s PRO 372 Ca 0.07 1.52 -0.01 0.00 0.02 0.00 0.00 61.00 62.59 3i27 s PRO 372 Cb -0.12 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.53 3i27 s PRO 372 CO 0.02 -1.95 0.11 -0.65 -0.33 0.00 0.00 177.00 174.20 3i27 s GLN 373 N -4.37 3.18 -0.15 5.54 -0.21 -0.62 -4.61 119.66 118.42 3i27 s GLN 373 Ca 0.68 -0.43 -0.37 0.00 0.02 0.00 0.00 55.36 55.26 3i27 s GLN 373 Cb -0.23 -2.94 -0.14 0.00 1.00 0.00 0.00 33.01 30.70 3i27 s GLN 373 CO 0.51 0.66 1.75 0.34 -2.12 0.00 0.00 175.29 176.43 3i27 n PHE 374 N 1.14 2.13 0.20 0.91 -0.00 -1.26 -0.72 117.46 119.85 3i27 n PHE 374 Ca -0.13 0.32 0.04 0.00 -0.00 0.00 0.00 57.45 57.69 3i27 n PHE 374 Cb 0.53 -2.53 0.46 0.00 -0.00 0.00 0.00 39.48 37.93 3i27 n PHE 374 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.76 176.86 3i27 h TYR 375 N 7.66 0.04 0.00 -5.13 -0.00 -1.64 -2.14 116.97 115.75 3i27 h TYR 375 Ca -0.47 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.24 3i27 h TYR 375 Cb 1.30 -0.01 -0.00 0.00 -0.00 0.00 0.00 36.73 38.01 3i27 h TYR 375 CO 0.79 0.24 -0.08 0.87 -0.00 0.00 0.00 178.16 179.98 3i27 h LYS 376 N 0.04 0.00 0.00 0.10 1.57 -1.85 -1.73 116.57 114.70 3i27 h LYS 376 Ca 0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3i27 h LYS 376 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 3i27 h LYS 376 CO 0.03 0.08 -0.08 -0.07 -0.57 0.00 0.00 179.45 178.84 3i27 h LEU 377 N 0.00 0.00 -0.52 2.94 3.38 -1.76 -2.53 115.31 116.82 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 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3i27 h LEU 377 CO 0.01 0.08 -0.61 0.49 0.09 0.00 0.00 178.44 178.50 3i27 n PHE 378 N -4.07 0.00 0.00 1.13 3.01 -0.69 -5.15 117.46 111.69 3i27 n PHE 378 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 3i27 n PHE 378 Cb 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 3i27 n PHE 378 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52