#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sie s ALA 18 N 0.00 3.59 0.28 7.82 0.00 -1.26 -5.08 121.76 127.11 1sie s ALA 18 Ca 0.00 -2.58 -0.07 0.00 0.00 0.00 0.00 51.96 49.31 1sie s ALA 18 Cb 0.00 -3.14 -0.06 0.00 0.00 0.00 0.00 23.12 19.92 1sie s ALA 18 CO 0.00 -2.00 0.57 0.00 0.00 0.00 0.00 175.76 174.33 1sie s PRO 20 N -3.31 3.04 -0.46 0.00 0.02 -1.26 -4.98 135.00 128.05 1sie s PRO 20 Ca 0.46 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.53 1sie s PRO 20 Cb -0.11 -2.10 0.12 0.00 0.02 0.00 0.00 34.50 32.43 1sie s PRO 20 CO 0.27 -1.21 0.23 0.50 -0.33 0.00 0.00 177.00 176.46 1sie s ARG 21 N -3.09 1.99 0.50 5.54 3.52 -1.26 -5.09 118.95 121.06 1sie s ARG 21 Ca 0.75 -2.17 -0.21 0.00 -0.13 0.00 0.00 55.73 53.97 1sie s ARG 21 Cb -0.36 -3.46 -0.09 0.00 -1.56 0.00 0.00 34.95 29.48 1sie s ARG 21 CO 0.41 -1.07 0.87 -2.30 -0.81 0.00 0.00 175.30 172.40 1sie n PRO 22 N 3.94 1.00 -1.69 5.12 -0.02 -1.26 -4.84 135.00 137.24 1sie n PRO 22 Ca 0.03 0.37 -0.44 0.00 -2.02 0.00 0.00 63.50 61.44 1sie n PRO 22 Cb 0.39 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 31.87 1sie n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sie n ALA 23 N -1.12 1.55 -1.76 3.55 0.00 -1.26 -4.90 120.51 116.57 1sie n ALA 23 Ca 0.11 0.40 -0.40 0.00 0.00 0.00 0.00 53.44 53.56 1sie n ALA 23 Cb 0.43 -2.33 -0.05 0.00 0.00 0.00 0.00 19.45 17.50 1sie n ALA 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sie s PRO 24 N -0.40 4.62 0.07 0.00 0.04 -1.26 -5.02 135.00 133.04 1sie s PRO 24 Ca 0.67 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1sie s PRO 24 Cb -0.60 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 30.78 1sie s PRO 24 CO 0.49 0.23 -0.04 0.08 0.04 0.00 0.00 177.00 177.79 1sie s VAL 25 N -1.24 0.39 0.22 -0.36 1.01 -1.26 -5.10 120.40 114.06 1sie s VAL 25 Ca 0.46 -1.79 -0.31 0.00 0.00 0.00 0.00 61.98 60.34 1sie s VAL 25 Cb -0.29 -1.49 -0.10 0.00 0.00 0.00 0.00 36.38 34.50 1sie s VAL 25 CO 0.37 -0.91 1.49 -2.16 0.00 0.00 0.00 175.10 173.89 1sie s PRO 26 N -3.69 4.24 -0.14 2.72 0.04 -1.26 -4.94 135.00 131.97 1sie s PRO 26 Ca 0.07 2.33 -0.25 0.00 0.04 0.00 0.00 61.00 63.19 1sie s PRO 26 Cb 0.06 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.45 1sie s PRO 26 CO -0.07 -0.49 0.81 -1.59 0.04 0.00 0.00 177.00 175.69 1sie s LYS 27 N 0.15 4.34 0.44 4.56 -2.85 -1.26 -5.03 119.74 120.10 1sie s LYS 27 Ca 0.63 1.00 -0.23 0.00 -1.00 0.00 0.00 55.97 56.37 1sie s LYS 27 Cb -0.43 -3.54 -0.08 0.00 -2.06 0.00 0.00 37.83 31.73 1sie s LYS 27 CO 0.39 -0.23 1.16 -1.17 0.10 0.00 0.00 175.35 175.61 1sie s LEU 28 N 1.79 4.06 -0.18 2.77 0.20 -1.26 -4.93 118.68 121.13 1sie s LEU 28 Ca 0.39 2.30 -0.03 0.00 0.69 0.00 0.00 54.13 57.48 1sie s LEU 28 Cb -0.17 -4.19 -0.10 0.00 -0.43 0.00 0.00 46.19 41.30 1sie s LEU 28 CO 0.14 -0.84 -0.19 0.18 -0.29 0.00 0.00 176.35 175.35 1sie n LEU 29 N -0.34 2.33 -3.63 -0.68 4.32 -1.26 -5.04 117.00 112.70 1sie n LEU 29 Ca 0.06 0.03 -0.04 0.00 -0.02 0.00 0.00 56.01 56.04 1sie n LEU 29 Cb 0.48 -0.59 -0.05 0.00 -1.62 0.00 0.00 43.42 41.63 1sie n LEU 29 CO 0.48 0.64 1.06 -0.51 -1.22 0.00 0.00 177.39 177.84 1sie s ILE 30 N -2.35 0.00 0.13 -0.08 2.07 -1.26 -5.14 121.20 114.56 1sie s ILE 30 Ca -0.25 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.06 1sie s ILE 30 Cb 0.08 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.63 1sie s ILE 30 CO 0.38 0.00 -0.15 -0.75 -1.91 0.00 0.00 174.94 172.50 1sie s LYS 31 N -0.74 1.08 0.00 3.50 2.20 -1.26 -5.09 119.74 119.43 1sie s LYS 31 Ca 0.06 -1.26 0.00 0.00 -0.36 0.00 0.00 55.97 54.41 1sie s LYS 31 Cb -0.02 -1.03 0.00 0.00 -1.51 0.00 0.00 37.83 35.27 1sie s LYS 31 CO -0.07 0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.53 1sie n GLY 32 N 0.55 0.00 0.00 5.54 0.00 -1.26 -4.98 105.19 105.04 1sie n GLY 32 Ca -0.15 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1sie n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sie n GLY 33 N 0.00 1.03 0.46 -0.02 0.00 -1.26 -4.85 105.19 100.55 1sie n GLY 33 Ca 0.00 -1.93 0.28 0.00 0.00 0.00 0.00 46.02 44.37 1sie n GLY 33 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1sie h MET 34 N 0.00 0.00 0.00 1.61 2.86 -2.02 0.36 114.93 117.74 1sie h MET 34 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1sie h MET 34 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 1sie h MET 34 CO 0.00 0.00 -0.11 1.05 1.06 0.00 0.00 176.91 178.91 1sie h GLU 35 N 0.00 0.00 0.00 1.72 9.09 -2.02 -0.28 114.58 123.09 1sie h GLU 35 Ca 0.41 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.82 1sie h GLU 35 Cb 1.69 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.79 1sie h GLU 35 CO -0.00 0.11 -0.00 0.28 0.05 0.00 0.00 179.01 179.44 1sie h VAL 36 N 0.00 0.06 -0.35 -1.06 2.07 -0.59 -2.15 116.25 114.21 1sie h VAL 36 Ca -0.00 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1sie h VAL 36 Cb 0.46 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1sie h VAL 36 CO 0.01 0.00 0.20 -0.07 0.02 0.00 0.00 177.57 177.74 1sie h LEU 37 N 0.00 0.32 -1.68 2.57 -0.00 -1.19 -1.56 115.31 113.77 1sie h LEU 37 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1sie h LEU 37 Cb 0.04 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 1sie h LEU 37 CO 0.00 0.23 0.26 0.44 -0.00 0.00 0.00 178.44 179.37 1sie h ASP 38 N 0.41 0.00 -3.62 -0.43 5.19 -1.56 -3.41 116.42 113.00 1sie h ASP 38 Ca 0.14 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 56.03 1sie h ASP 38 Cb 0.02 0.00 0.07 0.00 0.18 0.00 0.00 39.33 39.59 1sie h ASP 38 CO -0.08 0.00 0.72 -0.22 -3.12 0.00 0.00 179.24 176.54 1sie s LEU 39 N -5.15 4.39 -0.19 1.55 2.96 -0.59 -4.84 118.68 116.81 1sie s LEU 39 Ca -0.03 2.72 -0.28 0.00 -0.22 0.00 0.00 54.13 56.32 1sie s LEU 39 Cb 0.07 -3.64 -0.05 0.00 0.50 0.00 0.00 46.19 43.07 1sie s LEU 39 CO 0.23 -0.66 2.17 -0.69 -1.32 0.00 0.00 176.35 176.07 1sie s VAL 40 N -0.53 3.03 0.00 1.68 1.01 -1.26 -4.89 120.40 119.43 1sie s VAL 40 Ca 0.55 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1sie s VAL 40 Cb -0.42 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1sie s VAL 40 CO 0.49 -0.02 0.30 0.35 0.00 0.00 0.00 175.10 176.22 1sie n THR 41 N 7.42 0.00 0.00 3.92 -2.24 -1.26 -5.06 114.28 117.06 1sie n THR 41 Ca 0.28 0.64 0.00 0.00 -2.27 0.00 0.00 64.05 62.71 1sie n THR 41 Cb 0.44 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 1sie n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sie n GLY 42 N 1.01 0.47 0.00 3.38 0.00 -1.26 -4.86 105.19 103.94 1sie n GLY 42 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1sie n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sie n PRO 43 N 0.00 0.25 -0.56 1.61 -0.04 -1.26 -4.74 135.00 130.25 1sie n PRO 43 Ca 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 1sie n PRO 43 Cb 0.00 -0.54 0.31 0.00 -0.04 0.00 0.00 33.50 33.23 1sie n PRO 43 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1sie n ASP 44 N -0.90 4.47 -4.78 3.54 8.00 -1.26 -4.20 116.55 121.41 1sie n ASP 44 Ca 0.00 -2.64 -0.41 0.00 0.71 0.00 0.00 54.79 52.45 1sie n ASP 44 Cb 0.04 -0.54 -0.00 0.00 -0.02 0.00 0.00 41.12 40.60 1sie n ASP 44 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1sie s SER 45 N -1.19 6.40 0.03 -2.24 0.01 -1.26 -4.97 113.70 110.47 1sie s SER 45 Ca 0.46 3.00 0.06 0.00 1.31 0.00 0.00 55.95 60.78 1sie s SER 45 Cb 0.32 -2.66 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 1sie s SER 45 CO 0.17 -0.84 -0.19 -0.69 0.41 0.00 0.00 173.24 172.10 1sie s VAL 46 N -1.02 1.53 -0.03 3.43 1.01 -1.26 -4.19 120.40 119.87 1sie s VAL 46 Ca 0.53 -1.05 0.06 0.00 0.00 0.00 0.00 61.98 61.51 1sie s VAL 46 Cb -0.46 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 1sie s VAL 46 CO 0.61 0.24 -0.20 -0.89 0.00 0.00 0.00 175.10 174.86 1sie s THR 47 N -0.70 1.60 -0.59 3.92 2.01 -0.53 -5.01 115.64 116.35 1sie s THR 47 Ca 0.07 -0.84 0.04 0.00 0.31 0.00 0.00 61.69 61.27 1sie s THR 47 Cb -0.08 -1.35 0.15 0.00 0.01 0.00 0.00 72.50 71.23 1sie s THR 47 CO 0.01 0.45 0.36 -1.61 -0.69 0.00 0.00 174.62 173.14 1sie s GLU 48 N -0.25 2.14 0.12 4.92 2.02 -1.26 -1.91 118.70 124.47 1sie s GLU 48 Ca 0.02 -2.90 -0.28 0.00 0.02 0.00 0.00 54.97 51.84 1sie s GLU 48 Cb -0.10 -3.29 -0.07 0.00 0.10 0.00 0.00 34.13 30.78 1sie s GLU 48 CO 0.01 -1.19 0.87 0.42 0.02 0.00 0.00 175.26 175.39 1sie s ILE 49 N -0.75 4.47 -0.25 -1.63 1.01 -0.88 -4.95 121.20 118.23 1sie s ILE 49 Ca 0.21 1.89 -0.03 0.00 0.00 0.00 0.00 60.65 62.72 1sie s ILE 49 Cb -0.16 -4.23 0.08 0.00 0.01 0.00 0.00 42.46 38.15 1sie s ILE 49 CO -0.07 0.39 0.09 -0.70 0.00 0.00 0.00 174.94 174.65 1sie s GLU 50 N -0.40 0.49 0.00 2.79 2.12 -1.26 -1.03 118.70 121.41 1sie s GLU 50 Ca 0.42 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 55.13 1sie s GLU 50 Cb -0.23 -1.79 0.00 0.00 0.26 0.00 0.00 34.13 32.37 1sie s GLU 50 CO 0.28 -0.85 0.00 0.00 -0.54 0.00 0.00 175.26 174.14 1sie n ALA 51 N 5.07 0.00 -3.82 6.30 0.00 -0.41 -4.97 120.51 122.67 1sie n ALA 51 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 1sie n ALA 51 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1sie n ALA 51 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1sie s PHE 52 N -1.61 -0.03 0.01 0.00 -0.71 -1.26 0.18 117.98 114.57 1sie s PHE 52 Ca 0.00 -0.46 0.00 0.00 -1.04 0.00 0.00 56.93 55.43 1sie s PHE 52 Cb 0.00 0.74 -0.01 0.00 -1.21 0.00 0.00 43.02 42.54 1sie s PHE 52 CO 0.00 -1.20 -0.02 -0.51 -1.34 0.00 0.00 175.22 172.14 1sie s LEU 53 N -3.07 2.11 -0.08 -1.99 2.01 0.52 -4.97 118.68 113.21 1sie s LEU 53 Ca 0.15 -0.23 -0.25 0.00 0.01 0.00 0.00 54.13 53.81 1sie s LEU 53 Cb -0.04 -0.01 -0.03 0.00 0.01 0.00 0.00 46.19 46.12 1sie s LEU 53 CO 0.07 -0.11 0.78 0.20 1.01 0.00 0.00 176.35 178.29 1sie s ASN 54 N -0.65 7.04 -0.29 2.29 -0.87 -1.26 -1.84 114.94 119.36 1sie s ASN 54 Ca -0.06 1.26 -0.29 0.00 -1.57 0.00 0.00 52.86 52.20 1sie s ASN 54 Cb -0.05 -2.45 -0.07 0.00 -0.02 0.00 0.00 41.25 38.67 1sie s ASN 54 CO -0.00 -0.20 2.25 -0.81 -2.57 0.00 0.00 177.10 175.77 1sie n PRO 55 N 4.13 1.65 -3.53 -0.60 -0.04 -1.26 -4.96 135.00 130.39 1sie n PRO 55 Ca 0.01 0.41 -0.40 0.00 -0.04 0.00 0.00 63.50 63.48 1sie n PRO 55 Cb 0.51 -3.10 -0.05 0.00 -0.04 0.00 0.00 33.50 30.82 1sie n PRO 55 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1sie s ARG 56 N 6.63 3.46 -0.34 0.54 0.52 -1.26 -4.65 118.95 123.84 1sie s ARG 56 Ca 1.03 -3.04 -0.01 0.00 -0.52 0.00 0.00 55.73 53.19 1sie s ARG 56 Cb -0.43 -4.15 0.08 0.00 0.52 0.00 0.00 34.95 30.97 1sie s ARG 56 CO 0.37 -1.25 0.08 -1.64 0.02 0.00 0.00 175.30 172.88 1sie s MET 57 N -0.93 2.14 1.36 3.54 1.00 -1.26 -3.65 119.30 121.50 1sie s MET 57 Ca 0.25 -1.55 0.00 0.00 0.00 0.00 0.00 55.69 54.39 1sie s MET 57 Cb -0.10 -3.32 0.00 0.00 0.00 0.00 0.00 34.83 31.40 1sie s MET 57 CO -0.09 -0.83 0.00 0.41 0.00 0.00 0.00 175.02 174.51 1sie n GLY 58 N 4.56 1.44 3.66 -0.03 0.00 -0.91 -3.44 105.19 110.46 1sie n GLY 58 Ca -0.07 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 1sie n GLY 58 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sie s GLN 59 N 0.00 4.21 0.55 1.61 2.00 -0.94 -4.40 119.66 122.68 1sie s GLN 59 Ca 0.00 1.49 -0.16 0.00 -2.00 0.00 0.00 55.36 54.70 1sie s GLN 59 Cb 0.00 -3.73 -0.06 0.00 0.80 0.00 0.00 33.01 30.02 1sie s GLN 59 CO 0.00 -0.72 1.01 -1.25 -0.50 0.00 0.00 175.29 173.83 1sie s PRO 60 N 3.46 3.71 0.00 1.67 0.04 -1.26 -3.89 135.00 138.72 1sie s PRO 60 Ca 0.51 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1sie s PRO 60 Cb -0.18 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1sie s PRO 60 CO 0.12 -0.47 0.83 -0.35 0.04 0.00 0.00 177.00 177.16 1sie n PRO 61 N -1.83 0.00 0.00 0.56 -0.04 -1.26 -4.30 135.00 128.13 1sie n PRO 61 Ca 0.07 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 1sie n PRO 61 Cb 0.54 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 1sie n PRO 61 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1sie n THR 62 N -1.76 0.00 -2.06 0.52 -2.24 -1.26 -3.53 114.28 103.95 1sie n THR 62 Ca 0.00 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 1sie n THR 62 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1sie n THR 62 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1sie s PRO 63 N 0.00 2.75 0.00 -0.78 0.02 -1.26 -4.70 135.00 131.03 1sie s PRO 63 Ca 0.00 0.68 0.29 0.00 0.02 0.00 0.00 61.00 62.00 1sie s PRO 63 Cb 0.00 -4.35 1.37 0.00 0.02 0.00 0.00 34.50 31.55 1sie s PRO 63 CO 0.00 -2.58 1.99 0.39 -0.33 0.00 0.00 177.00 176.47 1sie n GLU 64 N 9.07 0.22 -2.78 5.54 1.02 -1.23 -4.52 120.64 127.96 1sie n GLU 64 Ca 0.20 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.93 1sie n GLU 64 Cb 0.51 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.40 1sie n GLU 64 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1sie s SER 65 N -2.78 7.27 0.00 1.62 0.15 -1.26 -4.91 113.70 113.79 1sie s SER 65 Ca 0.21 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.41 1sie s SER 65 Cb 0.19 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1sie s SER 65 CO 0.49 -0.26 0.62 0.18 1.20 0.00 0.00 173.24 175.48 1sie n LEU 66 N 4.03 1.57 0.01 3.45 4.77 -1.26 0.19 117.00 129.75 1sie n LEU 66 Ca 0.05 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 1sie n LEU 66 Cb 0.51 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1sie n LEU 66 CO 0.51 0.31 -0.29 0.35 -1.33 0.00 0.00 177.39 176.94 1sie n THR 67 N 0.21 0.12 0.05 -5.08 -2.24 -1.26 -3.89 114.28 102.18 1sie n THR 67 Ca 0.00 0.04 -0.20 0.00 -2.27 0.00 0.00 64.05 61.62 1sie n THR 67 Cb 0.31 -1.19 -0.12 0.00 -2.10 0.00 0.00 70.33 67.23 1sie n THR 67 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1sie h GLU 68 N 0.00 0.48 -0.34 -0.78 5.08 -1.91 -2.82 114.58 114.30 1sie h GLU 68 Ca 0.00 -0.62 0.00 0.00 -1.00 0.00 0.00 59.36 57.74 1sie h GLU 68 Cb 0.58 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1sie h GLU 68 CO 0.00 1.25 0.00 0.41 -1.00 0.00 0.00 179.01 179.67 1sie n GLY 69 N 1.30 1.61 1.99 -3.84 0.00 0.13 -4.90 105.19 101.48 1sie n GLY 69 Ca -0.12 -0.73 -0.04 0.00 0.00 0.00 0.00 46.02 45.12 1sie n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sie n GLY 70 N 1.49 -0.29 0.80 -0.02 0.00 -1.03 -2.02 105.19 104.11 1sie n GLY 70 Ca 0.19 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1sie n GLY 70 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sie n GLN 71 N -1.71 0.00 -0.23 1.61 1.13 -1.24 -4.75 117.38 112.18 1sie n GLN 71 Ca 0.01 0.00 0.09 0.00 -1.94 0.00 0.00 57.00 55.16 1sie n GLN 71 Cb 0.30 0.00 0.21 0.00 0.11 0.00 0.00 30.24 30.86 1sie n GLN 71 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1sie n TYR 72 N 0.12 0.61 -1.64 1.08 4.01 -0.85 -4.99 117.16 115.49 1sie n TYR 72 Ca 0.00 -0.42 -0.56 0.00 -0.16 0.00 0.00 57.90 56.76 1sie n TYR 72 Cb 0.00 -0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 38.94 1sie n TYR 72 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1sie n TYR 73 N 1.07 1.93 -1.47 -0.72 9.36 -1.26 -0.64 117.16 125.43 1sie n TYR 73 Ca 0.17 0.49 0.00 0.00 3.32 0.00 0.00 57.90 61.88 1sie n TYR 73 Cb 0.51 -2.47 0.00 0.00 -0.63 0.00 0.00 39.34 36.75 1sie n TYR 73 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1sie n GLY 74 N 4.83 0.51 3.57 2.98 0.00 -1.25 -5.06 105.19 110.76 1sie n GLY 74 Ca 0.31 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 1sie n GLY 74 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sie s TRP 75 N -2.53 -0.33 0.16 1.61 0.51 0.19 -4.05 118.94 114.49 1sie s TRP 75 Ca 0.00 0.48 -0.30 0.00 -2.12 0.00 0.00 56.10 54.16 1sie s TRP 75 Cb 0.00 0.47 -0.08 0.00 -0.81 0.00 0.00 33.47 33.06 1sie s TRP 75 CO 0.00 -0.36 1.22 -1.12 -0.51 0.00 0.00 176.95 176.18 1sie s SER 76 N -1.46 7.05 0.00 2.95 0.01 0.20 -2.23 113.70 120.23 1sie s SER 76 Ca 0.01 2.21 0.00 0.00 1.31 0.00 0.00 55.95 59.48 1sie s SER 76 Cb -0.01 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1sie s SER 76 CO -0.01 -0.42 0.00 -1.14 0.41 0.00 0.00 173.24 172.07 1sie n ARG 77 N 2.90 0.00 -1.35 12.44 3.00 0.03 -4.58 116.66 129.08 1sie n ARG 77 Ca 0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.88 1sie n ARG 77 Cb 0.45 -0.13 0.01 0.00 0.00 0.00 0.00 32.46 32.78 1sie n ARG 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1sie n GLY 78 N 0.00 2.16 2.64 5.14 0.00 -1.26 -4.84 105.19 109.03 1sie n GLY 78 Ca 0.00 -2.15 -0.29 0.00 0.00 0.00 0.00 46.02 43.58 1sie n GLY 78 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1sie s ILE 79 N 0.38 1.12 0.17 -0.61 -1.16 -1.24 -4.49 121.20 115.37 1sie s ILE 79 Ca 0.07 -2.52 -0.31 0.00 -0.51 0.00 0.00 60.65 57.38 1sie s ILE 79 Cb -0.01 -1.79 -0.09 0.00 0.61 0.00 0.00 42.46 41.19 1sie s ILE 79 CO 0.04 -0.96 1.40 0.21 -2.81 0.00 0.00 174.94 172.82 1sie s ASN 80 N 0.33 6.78 -0.15 4.50 3.84 -1.26 -4.82 114.94 124.16 1sie s ASN 80 Ca 0.20 2.46 -0.03 0.00 0.21 0.00 0.00 52.86 55.70 1sie s ASN 80 Cb -0.19 -2.60 -0.03 0.00 -0.55 0.00 0.00 41.25 37.88 1sie s ASN 80 CO -0.03 -0.65 -0.05 -0.22 -2.79 0.00 0.00 177.10 173.35 1sie s LEU 81 N 0.47 3.16 1.45 3.21 2.96 -1.26 -4.88 118.68 123.79 1sie s LEU 81 Ca 0.62 -0.16 -0.24 0.00 -0.22 0.00 0.00 54.13 54.13 1sie s LEU 81 Cb -0.39 -1.75 0.37 0.00 0.50 0.00 0.00 46.19 44.92 1sie s LEU 81 CO 0.35 0.17 0.92 0.00 -1.32 0.00 0.00 176.35 176.48 1sie s ALA 82 N 0.34 -0.72 -0.01 5.97 0.00 -1.26 -4.96 121.76 121.12 1sie s ALA 82 Ca -0.05 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 51.00 1sie s ALA 82 Cb -0.14 -2.90 -0.00 0.00 0.00 0.00 0.00 23.12 20.07 1sie s ALA 82 CO 0.03 -4.67 -0.01 1.15 0.00 0.00 0.00 175.76 172.26 1sie h THR 83 N -3.51 0.00 -1.38 0.00 2.02 -1.49 -3.49 112.91 105.05 1sie h THR 83 Ca -0.41 -0.09 0.14 0.00 0.77 0.00 0.00 66.41 66.83 1sie h THR 83 Cb 1.34 0.00 -0.29 0.00 -1.74 0.00 0.00 68.15 67.46 1sie h THR 83 CO 0.25 0.00 0.51 -0.55 0.37 0.00 0.00 175.52 176.10 1sie s SER 84 N -3.46 -0.36 0.00 4.18 0.15 -1.01 -4.97 113.70 108.24 1sie s SER 84 Ca -0.01 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.22 1sie s SER 84 Cb 0.00 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.44 1sie s SER 84 CO 0.01 -0.09 0.00 -0.67 1.20 0.00 0.00 173.24 173.69 1sie n ASP 85 N 3.44 0.00 0.20 5.45 2.03 -1.26 0.84 116.55 127.25 1sie n ASP 85 Ca -0.18 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.22 1sie n ASP 85 Cb 0.57 0.00 0.22 0.00 -0.72 0.00 0.00 41.12 41.19 1sie n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sie h THR 86 N 0.00 0.37 -3.79 5.18 1.03 -1.97 -3.43 112.91 110.30 1sie h THR 86 Ca 0.00 -1.36 -0.68 0.00 -0.01 0.00 0.00 66.41 64.36 1sie h THR 86 Cb 0.00 2.05 -0.35 0.00 -1.07 0.00 0.00 68.15 68.79 1sie h THR 86 CO 0.00 0.19 -0.73 -0.70 -0.01 0.00 0.00 175.52 174.27 1sie s GLU 87 N -3.24 2.31 -0.35 0.00 2.12 0.25 -4.95 118.70 114.83 1sie s GLU 87 Ca 0.04 -1.34 -0.00 0.00 0.36 0.00 0.00 54.97 54.03 1sie s GLU 87 Cb 0.07 -3.10 0.12 0.00 0.26 0.00 0.00 34.13 31.49 1sie s GLU 87 CO 0.68 -0.63 0.17 0.34 -0.54 0.00 0.00 175.26 175.28 1sie s ASP 88 N 1.21 3.51 -0.43 -1.70 2.15 -1.26 -1.10 116.67 119.04 1sie s ASP 88 Ca -0.05 -1.99 -0.07 0.00 0.43 0.00 0.00 52.55 50.87 1sie s ASP 88 Cb -0.20 -0.66 0.10 0.00 -0.30 0.00 0.00 42.92 41.86 1sie s ASP 88 CO -0.03 -0.35 0.26 -0.55 -0.17 0.00 0.00 175.17 174.33 1sie s SER 89 N 1.22 5.50 0.02 -0.34 0.15 -1.26 0.25 113.70 119.24 1sie s SER 89 Ca 0.14 -1.84 -0.16 0.00 0.70 0.00 0.00 55.95 54.79 1sie s SER 89 Cb -0.21 -1.93 -0.09 0.00 -1.71 0.00 0.00 66.02 62.09 1sie s SER 89 CO -0.13 -0.59 1.18 -0.65 1.20 0.00 0.00 173.24 174.26 1sie h PRO 90 N 8.28 -0.56 0.00 5.44 0.11 -1.90 -3.43 132.00 139.94 1sie h PRO 90 Ca -0.19 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1sie h PRO 90 Cb 1.07 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1sie h PRO 90 CO 0.77 -0.37 0.00 0.41 -0.21 0.00 0.00 178.00 178.60 1sie n GLY 91 N -1.12 2.67 0.32 -0.55 0.00 -1.26 -4.51 105.19 100.74 1sie n GLY 91 Ca -0.07 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.56 1sie n GLY 91 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1sie h ASN 92 N 0.00 -1.14 0.00 1.61 2.35 -1.95 -1.13 115.58 115.32 1sie h ASN 92 Ca 0.00 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1sie h ASN 92 Cb 0.00 0.44 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1sie h ASN 92 CO 0.00 -0.34 0.00 -0.46 -1.65 0.00 0.00 177.43 174.98 1sie n ASN 93 N -4.48 0.00 -0.66 5.81 6.94 -1.26 0.94 115.26 122.55 1sie n ASN 93 Ca -0.04 -0.31 0.11 0.00 -0.02 0.00 0.00 54.58 54.32 1sie n ASN 93 Cb 0.26 0.00 0.35 0.00 -2.36 0.00 0.00 39.78 38.03 1sie n ASN 93 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1sie n THR 94 N -0.73 0.23 -3.97 5.53 -1.04 -0.43 -0.79 114.28 113.09 1sie n THR 94 Ca 0.02 -0.41 -0.34 0.00 -2.04 0.00 0.00 64.05 61.28 1sie n THR 94 Cb 0.01 0.52 -0.14 0.00 -1.82 0.00 0.00 70.33 68.89 1sie n THR 94 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1sie s LEU 95 N -1.60 3.49 -0.16 -4.42 1.43 0.27 -4.92 118.68 112.76 1sie s LEU 95 Ca 0.33 -1.13 -0.29 0.00 -1.03 0.00 0.00 54.13 52.01 1sie s LEU 95 Cb 0.19 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 1sie s LEU 95 CO 0.28 -0.19 1.31 -2.16 0.23 0.00 0.00 176.35 175.82 1sie s PRO 96 N 1.25 4.20 0.21 1.29 0.04 -1.26 -2.15 135.00 138.58 1sie s PRO 96 Ca -0.04 1.69 0.09 0.00 0.04 0.00 0.00 61.00 62.78 1sie s PRO 96 Cb -0.18 -3.80 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 1sie s PRO 96 CO -0.04 -0.76 -0.03 0.95 0.04 0.00 0.00 177.00 177.17 1sie s THR 97 N 3.64 3.48 0.35 1.26 -4.23 -1.24 0.36 115.64 119.26 1sie s THR 97 Ca 0.57 -1.67 -0.28 0.00 -1.18 0.00 0.00 61.69 59.12 1sie s THR 97 Cb -0.23 -2.79 -0.11 0.00 1.34 0.00 0.00 72.50 70.72 1sie s THR 97 CO 0.17 -0.21 1.41 0.26 -0.54 0.00 0.00 174.62 175.70 1sie s TRP 98 N -1.95 2.81 -0.13 3.99 0.52 0.38 -4.44 118.94 120.12 1sie s TRP 98 Ca 0.28 1.26 0.01 0.00 0.02 0.00 0.00 56.10 57.67 1sie s TRP 98 Cb -0.08 -3.87 -0.01 0.00 -1.15 0.00 0.00 33.47 28.36 1sie s TRP 98 CO 0.18 -2.51 -0.16 -1.12 0.02 0.00 0.00 176.95 173.37 1sie s SER 99 N -0.25 3.75 0.31 2.95 0.01 -1.04 0.89 113.70 120.32 1sie s SER 99 Ca 0.52 -0.40 -0.10 0.00 1.31 0.00 0.00 55.95 57.28 1sie s SER 99 Cb -0.43 -1.56 0.04 0.00 0.21 0.00 0.00 66.02 64.28 1sie s SER 99 CO 0.57 0.15 0.58 1.15 0.41 0.00 0.00 173.24 176.10 1sie n MET 100 N 3.60 0.83 -3.66 12.44 0.00 -1.26 0.16 117.12 129.23 1sie n MET 100 Ca -0.18 -1.87 0.03 0.00 0.00 0.00 0.00 57.70 55.67 1sie n MET 100 Cb 0.53 2.20 -0.00 0.00 0.00 0.00 0.00 33.22 35.95 1sie n MET 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1sie s ALA 101 N -2.00 -2.39 -0.11 3.17 0.00 -0.17 -4.93 121.76 115.33 1sie s ALA 101 Ca 0.15 0.67 0.01 0.00 0.00 0.00 0.00 51.96 52.79 1sie s ALA 101 Cb -0.03 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.52 1sie s ALA 101 CO 0.11 -1.08 -0.12 0.21 0.00 0.00 0.00 175.76 174.88 1sie s LYS 102 N -2.21 1.98 -0.11 0.00 2.20 -1.26 -1.66 119.74 118.68 1sie s LYS 102 Ca 0.17 -0.46 -0.28 0.00 -0.36 0.00 0.00 55.97 55.05 1sie s LYS 102 Cb 0.05 -1.80 -0.02 0.00 -1.51 0.00 0.00 37.83 34.56 1sie s LYS 102 CO -0.04 -0.15 0.93 -0.51 -0.36 0.00 0.00 175.35 175.22 1sie s LEU 103 N 1.27 4.25 -0.43 5.43 2.01 0.16 -4.88 118.68 126.49 1sie s LEU 103 Ca -0.01 1.43 -0.15 0.00 0.01 0.00 0.00 54.13 55.40 1sie s LEU 103 Cb -0.14 -3.43 0.04 0.00 0.01 0.00 0.00 46.19 42.67 1sie s LEU 103 CO -0.05 -0.38 0.33 -1.58 1.01 0.00 0.00 176.35 175.68 1sie s GLN 104 N 1.82 2.97 0.54 1.70 2.00 -1.26 -0.71 119.66 126.72 1sie s GLN 104 Ca 0.45 -1.14 -0.07 0.00 -2.00 0.00 0.00 55.36 52.60 1sie s GLN 104 Cb -0.18 -4.03 -0.03 0.00 0.80 0.00 0.00 33.01 29.57 1sie s GLN 104 CO 0.18 -0.85 0.89 -0.51 -0.50 0.00 0.00 175.29 174.50 1sie s LEU 105 N 1.66 3.44 0.66 3.68 1.02 -0.39 -5.04 118.68 123.71 1sie s LEU 105 Ca 0.05 1.07 -0.12 0.00 0.02 0.00 0.00 54.13 55.15 1sie s LEU 105 Cb -0.21 -4.04 -0.01 0.00 0.02 0.00 0.00 46.19 41.95 1sie s LEU 105 CO 0.09 -0.74 1.05 -2.16 0.02 0.00 0.00 176.35 174.60 1sie s PRO 106 N -4.93 3.12 0.15 1.29 0.04 -1.26 -4.77 135.00 128.64 1sie s PRO 106 Ca 0.51 0.97 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 1sie s PRO 106 Cb -0.11 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 1sie s PRO 106 CO 0.48 -0.96 1.18 1.41 0.04 0.00 0.00 177.00 179.16 1sie s MET 107 N -4.88 4.49 -0.18 4.56 -2.45 -1.26 -4.94 119.30 114.63 1sie s MET 107 Ca 0.58 1.83 0.08 0.00 -1.25 0.00 0.00 55.69 56.93 1sie s MET 107 Cb -0.14 -3.27 -0.22 0.00 1.25 0.00 0.00 34.83 32.45 1sie s MET 107 CO 0.51 -0.11 0.12 1.28 1.05 0.00 0.00 175.02 177.88 1sie n LEU 108 N 2.84 1.48 -4.13 4.11 4.32 -1.26 -5.01 117.00 119.35 1sie n LEU 108 Ca 0.05 0.06 -0.13 0.00 -0.02 0.00 0.00 56.01 55.97 1sie n LEU 108 Cb 0.45 -0.24 -0.11 0.00 -1.62 0.00 0.00 43.42 41.90 1sie n LEU 108 CO 0.55 0.67 -0.40 0.21 -1.22 0.00 0.00 177.39 177.20 1sie s ASN 109 N -6.15 1.14 0.00 -1.43 2.47 -1.26 -4.96 114.94 104.76 1sie s ASN 109 Ca -0.19 -0.77 0.05 0.00 0.42 0.00 0.00 52.86 52.37 1sie s ASN 109 Cb 0.07 0.04 0.09 0.00 -1.45 0.00 0.00 41.25 40.01 1sie s ASN 109 CO 0.75 -0.30 0.94 -0.62 -3.72 0.00 0.00 177.10 174.15 1sie n GLU 110 N 0.73 1.75 -0.11 0.43 1.02 -1.26 -4.85 120.64 118.34 1sie n GLU 110 Ca -0.17 -1.38 -0.00 0.00 -0.02 0.00 0.00 57.16 55.58 1sie n GLU 110 Cb 0.57 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.89 1sie n GLU 110 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1sie n ASP 111 N 0.04 3.47 -3.04 1.62 2.03 -1.26 -4.60 116.55 114.81 1sie n ASP 111 Ca 0.04 -2.10 -0.33 0.00 0.52 0.00 0.00 54.79 52.92 1sie n ASP 111 Cb 0.25 -0.62 -0.05 0.00 -0.72 0.00 0.00 41.12 39.97 1sie n ASP 111 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sie n LEU 112 N 0.67 7.86 0.00 -2.67 -0.00 -1.26 0.51 117.00 122.12 1sie n LEU 112 Ca 0.01 -4.21 0.00 0.00 -0.00 0.00 0.00 56.01 51.81 1sie n LEU 112 Cb 0.51 -1.48 0.00 0.00 -0.00 0.00 0.00 43.42 42.45 1sie n LEU 112 CO 0.01 1.99 0.00 0.35 -0.00 0.00 0.00 177.39 179.73 1sie n THR 113 N 2.93 0.00 -4.32 1.47 -2.24 -1.26 -5.05 114.28 105.80 1sie n THR 113 Ca 0.68 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 62.19 1sie n THR 113 Cb 0.38 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.53 1sie n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sie h ASP 115 N 1.50 -0.05 -1.43 0.00 2.03 -1.97 -3.47 116.42 113.03 1sie h ASP 115 Ca -0.43 -0.08 -0.68 0.00 -0.73 0.00 0.00 57.03 55.11 1sie h ASP 115 Cb 1.26 0.01 0.09 0.00 -0.83 0.00 0.00 39.33 39.86 1sie h ASP 115 CO 0.73 0.48 -0.12 0.41 -1.03 0.00 0.00 179.24 179.71 1sie n THR 116 N -4.81 1.31 -3.77 1.15 -1.04 -1.26 -1.45 114.28 104.41 1sie n THR 116 Ca -0.02 -0.33 -0.13 0.00 -2.04 0.00 0.00 64.05 61.54 1sie n THR 116 Cb 0.07 -0.34 -0.10 0.00 -1.82 0.00 0.00 70.33 68.14 1sie n THR 116 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1sie s LEU 117 N 1.47 0.91 -0.07 -4.42 1.98 0.50 -4.76 118.68 114.29 1sie s LEU 117 Ca 0.71 0.32 0.01 0.00 -2.89 0.00 0.00 54.13 52.28 1sie s LEU 117 Cb -0.95 1.10 -0.03 0.00 0.66 0.00 0.00 46.19 46.97 1sie s LEU 117 CO 0.56 -0.27 -0.06 0.00 -1.89 0.00 0.00 176.35 174.69 1sie s GLN 118 N -0.59 2.76 0.14 1.98 -2.07 -1.26 0.95 119.66 121.57 1sie s GLN 118 Ca -0.07 -0.54 -0.01 0.00 -1.82 0.00 0.00 55.36 52.92 1sie s GLN 118 Cb -0.04 -2.61 -0.04 0.00 -1.09 0.00 0.00 33.01 29.23 1sie s GLN 118 CO 0.02 0.67 0.07 0.00 -1.32 0.00 0.00 175.29 174.72 1sie s MET 119 N -0.85 0.98 0.12 9.60 0.23 0.15 -4.02 119.30 125.51 1sie s MET 119 Ca 0.13 -1.47 -0.31 0.00 -1.03 0.00 0.00 55.69 53.00 1sie s MET 119 Cb -0.11 0.23 -0.09 0.00 -1.53 0.00 0.00 34.83 33.33 1sie s MET 119 CO 0.02 -0.28 1.48 -1.58 -2.03 0.00 0.00 175.02 172.63 1sie s TRP 120 N -4.05 3.07 -0.14 3.16 0.23 -1.26 -0.44 118.94 119.50 1sie s TRP 120 Ca 0.26 0.76 -0.02 0.00 -2.03 0.00 0.00 56.10 55.07 1sie s TRP 120 Cb 0.07 -3.79 0.05 0.00 0.03 0.00 0.00 33.47 29.83 1sie s TRP 120 CO 0.03 -2.90 0.02 -2.00 0.96 0.00 0.00 176.95 173.07 1sie s GLU 121 N 1.37 0.62 0.44 4.98 -6.30 -0.03 -0.02 118.70 119.75 1sie s GLU 121 Ca 0.67 -0.19 -0.23 0.00 -2.50 0.00 0.00 54.97 52.73 1sie s GLU 121 Cb -0.39 -1.64 -0.09 0.00 0.00 0.00 0.00 34.13 32.01 1sie s GLU 121 CO 0.30 -0.50 1.05 0.00 0.02 0.00 0.00 175.26 176.13 1sie s ALA 122 N 1.92 3.00 0.10 6.30 0.00 0.92 -0.84 121.76 133.15 1sie s ALA 122 Ca 0.02 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1sie s ALA 122 Cb -0.15 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1sie s ALA 122 CO -0.07 -0.28 0.00 0.28 0.00 0.00 0.00 175.76 175.69 1sie n VAL 123 N -0.43 0.87 -4.31 0.00 0.31 0.21 -2.71 118.33 112.26 1sie n VAL 123 Ca 0.07 0.29 -0.16 0.00 -0.01 0.00 0.00 64.34 64.52 1sie n VAL 123 Cb 0.51 -1.33 -0.10 0.00 -0.91 0.00 0.00 33.84 32.00 1sie n VAL 123 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1sie s SER 124 N -5.67 1.38 -0.14 4.52 1.04 -1.20 0.14 113.70 113.78 1sie s SER 124 Ca 0.00 -1.30 -0.29 0.00 0.48 0.00 0.00 55.95 54.85 1sie s SER 124 Cb 0.00 0.11 0.08 0.00 0.10 0.00 0.00 66.02 66.31 1sie s SER 124 CO 0.00 -0.64 0.76 0.54 0.98 0.00 0.00 173.24 174.88 1sie s VAL 125 N -3.64 0.00 -0.11 5.02 0.11 0.13 -0.79 120.40 121.13 1sie s VAL 125 Ca 0.32 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.39 1sie s VAL 125 Cb 0.07 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 1sie s VAL 125 CO 0.10 0.00 -0.15 -0.54 -3.33 0.00 0.00 175.10 171.19 1sie s LYS 126 N -0.66 3.12 0.23 1.54 1.02 -0.49 -0.40 119.74 124.11 1sie s LYS 126 Ca -0.06 -0.71 0.06 0.00 0.02 0.00 0.00 55.97 55.28 1sie s LYS 126 Cb -0.02 -2.53 -0.05 0.00 -0.52 0.00 0.00 37.83 34.71 1sie s LYS 126 CO 0.05 0.31 -0.08 -0.08 -0.92 0.00 0.00 175.35 174.63 1sie s THR 127 N 0.08 1.54 -0.25 2.17 -1.32 -1.26 0.27 115.64 116.87 1sie s THR 127 Ca -0.06 -2.14 -0.26 0.00 -1.21 0.00 0.00 61.69 58.02 1sie s THR 127 Cb -0.15 -2.24 0.12 0.00 -1.51 0.00 0.00 72.50 68.72 1sie s THR 127 CO 0.05 -0.45 1.00 -0.70 -2.21 0.00 0.00 174.62 172.31 1sie s GLU 128 N -3.72 0.56 -0.01 7.08 2.12 -0.77 -4.96 118.70 119.00 1sie s GLU 128 Ca 0.26 0.53 -0.00 0.00 0.36 0.00 0.00 54.97 56.11 1sie s GLU 128 Cb 0.02 0.27 -0.04 0.00 0.26 0.00 0.00 34.13 34.65 1sie s GLU 128 CO 0.09 -0.09 0.08 0.08 -0.54 0.00 0.00 175.26 174.87 1sie s VAL 129 N -0.06 4.72 0.09 3.70 1.01 -1.26 0.40 120.40 129.00 1sie s VAL 129 Ca 0.02 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1sie s VAL 129 Cb -0.04 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1sie s VAL 129 CO -0.04 0.36 -0.07 0.68 0.00 0.00 0.00 175.10 176.04 1sie s VAL 130 N -1.18 0.65 0.00 2.92 -7.23 -0.60 -4.72 120.40 110.23 1sie s VAL 130 Ca 0.22 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 1sie s VAL 130 Cb -0.12 -1.51 0.00 0.00 0.56 0.00 0.00 36.38 35.31 1sie s VAL 130 CO 0.13 -0.81 0.00 0.61 -0.31 0.00 0.00 175.10 174.73 1sie n GLY 131 N 0.19 0.97 0.34 2.32 0.00 -1.26 -4.09 105.19 103.66 1sie n GLY 131 Ca -0.14 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.07 1sie n GLY 131 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1sie h SER 132 N 0.00 0.00 -0.29 1.61 0.02 -1.98 0.64 113.55 113.55 1sie h SER 132 Ca 0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 1sie h SER 132 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1sie h SER 132 CO 0.00 0.00 -0.48 1.23 -1.14 0.00 0.00 176.83 176.44 1sie h GLY 133 N 0.00 0.91 1.28 -3.77 0.00 -1.98 -3.03 103.07 96.48 1sie h GLY 133 Ca 0.01 -1.04 0.00 0.00 0.00 0.00 0.00 47.33 46.30 1sie h GLY 133 CO -0.00 0.93 0.20 -1.14 0.00 0.00 0.00 176.54 176.53 1sie n SER 134 N -4.08 0.07 0.00 0.19 3.41 0.22 -0.05 113.62 113.38 1sie n SER 134 Ca -0.04 0.37 0.11 0.00 -0.26 0.00 0.00 58.87 59.05 1sie n SER 134 Cb 0.59 -0.36 0.68 0.00 -0.26 0.00 0.00 64.21 64.86 1sie n SER 134 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1sie n LEU 135 N -1.46 0.00 -0.93 1.04 7.99 -1.15 -2.85 117.00 119.65 1sie n LEU 135 Ca -0.00 0.00 0.12 0.00 -0.01 0.00 0.00 56.01 56.12 1sie n LEU 135 Cb 0.20 0.00 0.10 0.00 -0.11 0.00 0.00 43.42 43.61 1sie n LEU 135 CO 0.01 0.00 0.62 0.18 -1.51 0.00 0.00 177.39 176.69 1sie n LEU 136 N -0.91 2.95 -4.71 2.23 4.77 0.93 -4.76 117.00 117.50 1sie n LEU 136 Ca 0.17 -1.00 -0.42 0.00 -0.03 0.00 0.00 56.01 54.73 1sie n LEU 136 Cb 0.08 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1sie n LEU 136 CO 0.13 0.49 1.01 -0.62 -1.33 0.00 0.00 177.39 177.07 1sie s ASP 137 N -1.97 6.93 0.00 -1.43 -1.08 -1.13 -4.84 116.67 113.15 1sie s ASP 137 Ca 0.27 2.13 0.00 0.00 -0.52 0.00 0.00 52.55 54.43 1sie s ASP 137 Cb 0.20 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 39.08 1sie s ASP 137 CO 0.30 -0.61 0.64 1.33 0.52 0.00 0.00 175.17 177.35 1sie n VAL 138 N 4.19 0.37 -1.60 1.11 0.24 -1.26 -4.84 118.33 116.54 1sie n VAL 138 Ca 0.11 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1sie n VAL 138 Cb 0.44 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 33.72 1sie n VAL 138 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sie n HIS 139 N -0.19 0.00 -0.02 6.34 -0.00 -1.26 0.11 115.22 120.20 1sie n HIS 139 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1sie n HIS 139 Cb 0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.33 1sie n HIS 139 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1sie n GLY 140 N 5.00 -1.94 3.30 -1.39 0.00 -1.26 -4.45 105.19 104.45 1sie n GLY 140 Ca 0.00 -1.49 -0.46 0.00 0.00 0.00 0.00 46.02 44.07 1sie n GLY 140 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sie s PHE 141 N -2.00 3.50 0.21 1.61 0.08 -1.26 -4.56 117.98 115.57 1sie s PHE 141 Ca 0.00 -1.71 0.08 0.00 0.12 0.00 0.00 56.93 55.42 1sie s PHE 141 Cb 0.00 -3.76 -0.05 0.00 -0.57 0.00 0.00 43.02 38.64 1sie s PHE 141 CO 0.00 -1.00 -0.15 -0.80 -0.10 0.00 0.00 175.22 173.17 1sie s ASN 142 N 2.76 2.69 0.17 1.36 -0.87 -1.26 -2.96 114.94 116.83 1sie s ASN 142 Ca 0.11 -1.02 -0.32 0.00 -1.57 0.00 0.00 52.86 50.06 1sie s ASN 142 Cb -0.20 -0.16 -0.17 0.00 -0.02 0.00 0.00 41.25 40.71 1sie s ASN 142 CO -0.03 -0.14 0.94 1.17 -2.57 0.00 0.00 177.10 176.47 1sie n LYS 143 N -0.40 0.66 -4.00 -0.60 4.81 -0.47 -4.20 118.16 113.96 1sie n LYS 143 Ca -0.08 0.23 -0.22 0.00 -0.87 0.00 0.00 58.31 57.38 1sie n LYS 143 Cb 0.60 -1.57 -0.04 0.00 0.02 0.00 0.00 35.03 34.04 1sie n LYS 143 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1sie s PRO 144 N -0.65 2.76 0.16 1.64 0.02 -1.26 -0.98 135.00 136.68 1sie s PRO 144 Ca 0.72 -1.21 -0.17 0.00 0.02 0.00 0.00 61.00 60.35 1sie s PRO 144 Cb -0.93 -2.47 0.10 0.00 0.02 0.00 0.00 34.50 31.23 1sie s PRO 144 CO 0.55 0.25 1.18 2.41 -0.33 0.00 0.00 177.00 181.06 1sie n THR 145 N -1.24 -0.44 -3.74 0.99 -1.04 -0.07 -3.57 114.28 105.18 1sie n THR 145 Ca -0.05 1.80 -0.38 0.00 -2.04 0.00 0.00 64.05 63.39 1sie n THR 145 Cb 0.59 -2.33 -0.12 0.00 -1.82 0.00 0.00 70.33 66.65 1sie n THR 145 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1sie s ASP 146 N -5.31 5.23 -0.10 8.00 2.15 0.46 -4.97 116.67 122.13 1sie s ASP 146 Ca -0.10 -0.66 -0.23 0.00 0.43 0.00 0.00 52.55 51.98 1sie s ASP 146 Cb 0.13 -1.91 -0.28 0.00 -0.30 0.00 0.00 42.92 40.56 1sie s ASP 146 CO 0.52 -0.19 0.74 0.71 -0.17 0.00 0.00 175.17 176.78 1sie h THR 147 N 5.81 1.49 0.00 1.71 1.35 -1.79 0.40 112.91 121.88 1sie h THR 147 Ca -0.32 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.12 1sie h THR 147 Cb 1.13 3.12 0.00 0.00 -1.73 0.00 0.00 68.15 70.67 1sie h THR 147 CO 0.61 0.64 0.00 0.52 -0.25 0.00 0.00 175.52 177.04 1sie n VAL 148 N -4.29 0.00 0.04 6.82 0.31 -1.26 0.07 118.33 120.02 1sie n VAL 148 Ca -0.16 0.92 0.08 0.00 -0.01 0.00 0.00 64.34 65.17 1sie n VAL 148 Cb 0.70 -1.26 0.26 0.00 -0.91 0.00 0.00 33.84 32.63 1sie n VAL 148 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1sie n ASN 149 N -2.21 3.44 -3.47 4.52 3.02 -1.26 -4.89 115.26 114.41 1sie n ASN 149 Ca 0.00 -2.22 -0.23 0.00 -0.03 0.00 0.00 54.58 52.10 1sie n ASN 149 Cb 0.00 -0.45 0.05 0.00 -0.61 0.00 0.00 39.78 38.77 1sie n ASN 149 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1sie n THR 150 N 0.90 -7.51 -4.35 3.41 -1.04 0.11 -4.99 114.28 100.81 1sie n THR 150 Ca 0.19 -1.11 -0.21 0.00 -2.04 0.00 0.00 64.05 60.88 1sie n THR 150 Cb 0.62 -5.42 -0.08 0.00 -1.82 0.00 0.00 70.33 63.63 1sie n THR 150 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1sie s LYS 151 N -5.15 1.80 0.00 -2.82 2.47 0.14 -4.99 119.74 111.18 1sie s LYS 151 Ca 0.45 -2.06 0.00 0.00 -1.56 0.00 0.00 55.97 52.80 1sie s LYS 151 Cb -0.11 0.05 0.00 0.00 -1.46 0.00 0.00 37.83 36.30 1sie s LYS 151 CO 0.80 -0.60 0.00 0.41 0.16 0.00 0.00 175.35 176.13 1sie n GLY 152 N -0.70 1.10 3.01 5.54 0.00 -1.26 -0.41 105.19 112.47 1sie n GLY 152 Ca 0.03 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 1sie n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sie s ILE 153 N 0.00 0.11 -0.75 -0.61 -1.09 -1.26 -4.89 121.20 112.70 1sie s ILE 153 Ca 0.00 -0.88 -0.26 0.00 -2.23 0.00 0.00 60.65 57.28 1sie s ILE 153 Cb 0.00 -0.32 0.02 0.00 -1.58 0.00 0.00 42.46 40.58 1sie s ILE 153 CO 0.00 -0.48 1.45 -0.55 -1.23 0.00 0.00 174.94 174.13 1sie s SER 154 N -1.47 5.96 -0.30 3.58 0.15 0.30 -0.89 113.70 121.03 1sie s SER 154 Ca -0.15 -0.40 -0.43 0.00 0.70 0.00 0.00 55.95 55.67 1sie s SER 154 Cb -0.09 -2.55 -0.19 0.00 -1.71 0.00 0.00 66.02 61.47 1sie s SER 154 CO -0.01 -1.96 1.48 0.41 1.20 0.00 0.00 173.24 174.37 1sie n THR 155 N 6.68 0.06 -0.91 6.45 -1.04 -0.16 -4.57 114.28 120.79 1sie n THR 155 Ca 0.12 -0.01 -0.30 0.00 -2.04 0.00 0.00 64.05 61.82 1sie n THR 155 Cb 0.50 -0.54 0.26 0.00 -1.82 0.00 0.00 70.33 68.73 1sie n THR 155 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1sie n PRO 156 N 3.55 -3.46 -2.49 -2.82 -0.04 -1.26 -4.65 135.00 123.83 1sie n PRO 156 Ca 0.27 -1.70 -0.41 0.00 -0.04 0.00 0.00 63.50 61.62 1sie n PRO 156 Cb 0.03 -1.68 -0.04 0.00 -0.04 0.00 0.00 33.50 31.76 1sie n PRO 156 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sie s VAL 157 N -2.83 3.67 0.19 0.52 1.01 -1.26 -4.75 120.40 116.94 1sie s VAL 157 Ca 0.70 1.54 -0.01 0.00 0.00 0.00 0.00 61.98 64.21 1sie s VAL 157 Cb -0.08 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.32 1sie s VAL 157 CO 0.55 0.31 0.27 -0.62 0.00 0.00 0.00 175.10 175.61 1sie n GLU 158 N 1.84 0.39 0.00 2.72 1.02 -1.12 -4.56 120.64 120.92 1sie n GLU 158 Ca 0.01 -1.46 0.00 0.00 -0.02 0.00 0.00 57.16 55.69 1sie n GLU 158 Cb 0.45 1.43 0.00 0.00 -0.02 0.00 0.00 31.44 33.30 1sie n GLU 158 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sie n GLY 159 N -0.30 -3.72 3.69 0.62 0.00 -0.25 -0.38 105.19 104.84 1sie n GLY 159 Ca 0.00 -2.11 -0.45 0.00 0.00 0.00 0.00 46.02 43.46 1sie n GLY 159 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sie n SER 160 N 0.00 3.18 -4.56 1.61 7.64 0.11 -4.23 113.62 117.38 1sie n SER 160 Ca 0.00 1.11 -0.26 0.00 1.01 0.00 0.00 58.87 60.73 1sie n SER 160 Cb 0.00 -1.47 -0.11 0.00 -1.01 0.00 0.00 64.21 61.63 1sie n SER 160 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sie s GLN 161 N 0.26 1.85 -0.29 1.43 -2.07 0.64 -3.25 119.66 118.24 1sie s GLN 161 Ca 0.72 -2.04 -0.18 0.00 -1.82 0.00 0.00 55.36 52.04 1sie s GLN 161 Cb -0.62 -1.35 0.13 0.00 -1.09 0.00 0.00 33.01 30.08 1sie s GLN 161 CO 0.43 -0.11 0.93 -0.47 -1.32 0.00 0.00 175.29 174.75 1sie s TYR 162 N -2.93 -0.65 -0.07 9.60 5.04 0.31 -2.41 117.35 126.24 1sie s TYR 162 Ca 0.35 1.35 -0.05 0.00 -2.44 0.00 0.00 57.07 56.28 1sie s TYR 162 Cb 0.09 0.40 0.02 0.00 0.35 0.00 0.00 41.96 42.82 1sie s TYR 162 CO 0.17 -0.32 0.17 -1.01 -1.34 0.00 0.00 175.55 173.22 1sie s HIS 163 N 1.15 -0.19 0.13 4.97 3.76 -1.09 0.19 115.29 124.20 1sie s HIS 163 Ca -0.07 0.47 -0.19 0.00 -0.15 0.00 0.00 55.06 55.13 1sie s HIS 163 Cb -0.04 0.04 0.05 0.00 1.11 0.00 0.00 32.58 33.74 1sie s HIS 163 CO -0.14 -0.11 0.47 0.08 -0.85 0.00 0.00 174.74 174.19 1sie s VAL 164 N 0.32 0.05 0.07 -0.90 1.01 -0.61 -0.20 120.40 120.13 1sie s VAL 164 Ca -0.02 -0.38 -0.27 0.00 0.00 0.00 0.00 61.98 61.31 1sie s VAL 164 Cb -0.03 -1.10 0.08 0.00 0.00 0.00 0.00 36.38 35.33 1sie s VAL 164 CO -0.01 -0.21 1.00 0.72 0.00 0.00 0.00 175.10 176.59 1sie s PHE 165 N -3.65 -0.17 -0.09 5.22 -0.71 0.22 0.23 117.98 119.03 1sie s PHE 165 Ca 0.02 -0.05 -0.30 0.00 -1.04 0.00 0.00 56.93 55.55 1sie s PHE 165 Cb 0.01 0.60 0.08 0.00 -1.21 0.00 0.00 43.02 42.49 1sie s PHE 165 CO -0.11 -0.65 0.73 0.00 -1.34 0.00 0.00 175.22 173.84 1sie s ALA 166 N -3.09 -1.79 -0.13 1.99 0.00 0.30 0.15 121.76 119.19 1sie s ALA 166 Ca 0.11 1.42 0.01 0.00 0.00 0.00 0.00 51.96 53.50 1sie s ALA 166 Cb -0.00 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.92 1sie s ALA 166 CO -0.02 -0.36 -0.16 0.08 0.00 0.00 0.00 175.76 175.30 1sie s VAL 167 N -1.03 1.66 0.25 0.00 1.01 -0.44 -1.07 120.40 120.78 1sie s VAL 167 Ca -0.09 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 60.99 1sie s VAL 167 Cb -0.01 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.88 1sie s VAL 167 CO 0.08 0.47 0.61 -0.83 0.00 0.00 0.00 175.10 175.43 1sie s GLY 168 N 1.12 0.04 0.31 4.51 0.00 0.19 -1.41 107.32 112.08 1sie s GLY 168 Ca -0.03 -0.40 0.26 0.00 0.00 0.00 0.00 44.72 44.55 1sie s GLY 168 CO -0.05 -0.25 1.74 -1.33 0.00 0.00 0.00 173.10 173.21 1sie h GLY 169 N 2.10 0.00 -2.30 0.20 0.00 -1.36 0.37 103.07 102.08 1sie h GLY 169 Ca -0.23 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.90 1sie h GLY 169 CO 0.30 0.00 -0.37 -1.83 0.00 0.00 0.00 176.54 174.64 1sie s GLU 170 N -3.21 1.46 1.05 4.80 -1.05 -1.26 -1.47 118.70 119.02 1sie s GLU 170 Ca 0.08 -1.54 -0.13 0.00 -0.15 0.00 0.00 54.97 53.24 1sie s GLU 170 Cb 0.10 0.37 0.18 0.00 -0.44 0.00 0.00 34.13 34.34 1sie s GLU 170 CO 0.58 -0.55 0.82 -0.35 0.95 0.00 0.00 175.26 176.71 1sie n PRO 171 N -0.37 -1.37 -2.57 -4.83 -0.04 -1.26 -4.76 135.00 119.79 1sie n PRO 171 Ca 0.01 -0.36 -0.40 0.00 -0.04 0.00 0.00 63.50 62.71 1sie n PRO 171 Cb 0.64 -2.12 -0.05 0.00 -0.04 0.00 0.00 33.50 31.93 1sie n PRO 171 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1sie s LEU 172 N -5.25 4.57 -0.08 1.53 1.98 -1.26 -4.80 118.68 115.37 1sie s LEU 172 Ca 0.64 2.12 -0.18 0.00 -2.89 0.00 0.00 54.13 53.83 1sie s LEU 172 Cb -0.22 -3.62 -0.05 0.00 0.66 0.00 0.00 46.19 42.97 1sie s LEU 172 CO 0.63 -0.06 0.47 -1.81 -1.89 0.00 0.00 176.35 173.69 1sie s ASP 173 N -0.80 6.74 0.47 3.68 1.11 -1.26 -0.64 116.67 125.95 1sie s ASP 173 Ca 0.44 0.88 0.04 0.00 0.18 0.00 0.00 52.55 54.09 1sie s ASP 173 Cb -0.29 -2.28 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 1sie s ASP 173 CO 0.37 0.09 0.05 -0.76 1.18 0.00 0.00 175.17 176.10 1sie s LEU 174 N 0.14 2.62 -0.17 1.23 1.02 0.50 -1.39 118.68 122.64 1sie s LEU 174 Ca 0.26 -1.47 -0.17 0.00 0.02 0.00 0.00 54.13 52.77 1sie s LEU 174 Cb -0.16 -0.90 0.05 0.00 0.02 0.00 0.00 46.19 45.20 1sie s LEU 174 CO 0.12 -0.69 0.47 -1.58 0.02 0.00 0.00 176.35 174.69 1sie s GLN 175 N -3.85 0.57 -0.14 1.70 -0.44 0.26 -2.28 119.66 115.49 1sie s GLN 175 Ca 0.22 0.62 -0.06 0.00 -2.50 0.00 0.00 55.36 53.63 1sie s GLN 175 Cb 0.05 0.28 -0.04 0.00 -1.64 0.00 0.00 33.01 31.65 1sie s GLN 175 CO 0.12 -0.08 0.08 0.20 0.50 0.00 0.00 175.29 176.11 1sie s GLY 176 N 0.16 2.00 -0.05 2.59 0.00 0.24 -0.35 107.32 111.91 1sie s GLY 176 Ca -0.01 -0.71 -0.12 0.00 0.00 0.00 0.00 44.72 43.87 1sie s GLY 176 CO 0.01 -0.24 0.29 -2.27 0.00 0.00 0.00 173.10 170.89 1sie s LEU 177 N -0.43 0.94 0.14 0.66 0.20 -1.18 -3.38 118.68 115.64 1sie s LEU 177 Ca 0.10 0.23 -0.11 0.00 0.69 0.00 0.00 54.13 55.04 1sie s LEU 177 Cb -0.12 1.11 0.00 0.00 -0.43 0.00 0.00 46.19 46.76 1sie s LEU 177 CO 0.02 -0.32 0.30 0.54 -0.29 0.00 0.00 176.35 176.59 1sie s VAL 178 N -0.83 0.08 0.00 1.68 0.11 0.15 -4.59 120.40 117.01 1sie s VAL 178 Ca -0.09 -1.15 0.00 0.00 -2.93 0.00 0.00 61.98 57.81 1sie s VAL 178 Cb -0.04 -1.57 0.00 0.00 -1.53 0.00 0.00 36.38 33.23 1sie s VAL 178 CO 0.03 -0.39 0.44 0.35 -3.33 0.00 0.00 175.10 172.20 1sie n THR 179 N -0.18 0.00 -4.28 5.04 -2.24 -1.26 -4.29 114.28 107.06 1sie n THR 179 Ca -0.11 0.83 -0.34 0.00 -2.27 0.00 0.00 64.05 62.16 1sie n THR 179 Cb 0.63 -1.63 -0.14 0.00 -2.10 0.00 0.00 70.33 67.09 1sie n THR 179 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sie s ASP 180 N -2.01 4.22 0.46 3.42 2.15 -1.26 -4.86 116.67 118.79 1sie s ASP 180 Ca 0.00 -0.34 0.31 0.00 0.43 0.00 0.00 52.55 52.94 1sie s ASP 180 Cb 0.00 -1.69 1.30 0.00 -0.30 0.00 0.00 42.92 42.23 1sie s ASP 180 CO 0.00 0.07 1.91 0.00 -0.17 0.00 0.00 175.17 176.98 1sie h ALA 181 N 7.42 1.00 -0.00 3.66 0.00 -1.88 -1.02 119.26 128.44 1sie h ALA 181 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1sie h ALA 181 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1sie h ALA 181 CO 0.59 0.00 -0.10 0.54 0.00 0.00 0.00 179.25 180.28 1sie n ARG 182 N -2.80 0.65 -1.68 0.00 3.00 -1.26 -4.58 116.66 110.00 1sie n ARG 182 Ca 0.01 -0.20 -0.41 0.00 -0.01 0.00 0.00 57.85 57.24 1sie n ARG 182 Cb 0.26 -1.50 0.02 0.00 0.00 0.00 0.00 32.46 31.24 1sie n ARG 182 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1sie n THR 183 N -0.99 2.69 -3.58 0.55 -1.04 -0.39 -4.61 114.28 106.90 1sie n THR 183 Ca 0.14 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.31 1sie n THR 183 Cb 0.27 -1.45 -0.07 0.00 -1.82 0.00 0.00 70.33 67.26 1sie n THR 183 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1sie n LYS 184 N -0.07 2.69 -2.38 -2.82 5.02 0.14 -5.02 118.16 115.72 1sie n LYS 184 Ca 0.08 -4.52 -0.41 0.00 -2.02 0.00 0.00 58.31 51.44 1sie n LYS 184 Cb 0.40 -2.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.00 1sie n LYS 184 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1sie s TYR 185 N -1.70 3.43 -0.14 2.13 2.02 -1.26 -4.12 117.35 117.71 1sie s TYR 185 Ca 0.29 1.37 -0.29 0.00 -0.37 0.00 0.00 57.07 58.07 1sie s TYR 185 Cb -0.02 -3.43 -0.03 0.00 -0.40 0.00 0.00 41.96 38.07 1sie s TYR 185 CO -0.10 -1.27 1.54 0.15 -1.57 0.00 0.00 175.55 174.30 1sie s LYS 186 N 0.23 4.06 0.34 -0.62 3.01 -1.26 -4.76 119.74 120.74 1sie s LYS 186 Ca 0.55 1.86 0.25 0.00 -1.01 0.00 0.00 55.97 57.62 1sie s LYS 186 Cb -0.32 -3.95 1.22 0.00 -1.01 0.00 0.00 37.83 33.77 1sie s LYS 186 CO 0.34 -0.97 1.77 1.05 0.51 0.00 0.00 175.35 178.04 1sie h GLU 187 N 9.61 0.00 -5.40 1.68 4.11 -1.91 -3.39 114.58 119.29 1sie h GLU 187 Ca -0.34 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 58.44 1sie h GLU 187 Cb 1.15 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.25 1sie h GLU 187 CO 0.98 0.00 0.12 -2.00 0.07 0.00 0.00 179.01 178.17 1sie s GLU 188 N -3.52 3.28 0.00 1.06 2.56 -1.26 -4.23 118.70 116.59 1sie s GLU 188 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.97 54.60 1sie s GLU 188 Cb 0.08 -3.95 0.00 0.00 2.00 0.00 0.00 34.13 32.26 1sie s GLU 188 CO 0.32 -1.00 0.00 0.41 -0.56 0.00 0.00 175.26 174.43 1sie n GLY 189 N 5.03 1.20 3.65 -1.50 0.00 -1.26 -5.02 105.19 107.28 1sie n GLY 189 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 1sie n GLY 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sie s VAL 190 N -2.00 0.00 0.58 1.61 0.11 -1.26 -5.01 120.40 114.43 1sie s VAL 190 Ca 0.00 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 58.87 1sie s VAL 190 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1sie s VAL 190 CO 0.00 0.00 1.15 0.68 -3.33 0.00 0.00 175.10 173.60 1sie s VAL 191 N 0.21 3.02 -0.28 2.04 -7.23 -1.17 -4.77 120.40 112.21 1sie s VAL 191 Ca 0.04 0.60 -0.24 0.00 -1.81 0.00 0.00 61.98 60.58 1sie s VAL 191 Cb -0.05 -3.21 0.13 0.00 0.56 0.00 0.00 36.38 33.81 1sie s VAL 191 CO -0.12 -0.17 1.07 -0.89 -0.31 0.00 0.00 175.10 174.68 1sie s THR 192 N -1.82 0.00 0.00 5.32 2.01 -1.26 -4.51 115.64 115.37 1sie s THR 192 Ca 0.73 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.73 1sie s THR 192 Cb -0.25 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.26 1sie s THR 192 CO 0.31 0.00 0.00 2.30 -0.69 0.00 0.00 174.62 176.54 1sie n ILE 193 N 2.30 0.00 0.24 1.82 -6.64 -1.26 0.20 119.36 116.02 1sie n ILE 193 Ca -0.13 0.00 -0.15 0.00 -1.77 0.00 0.00 62.75 60.70 1sie n ILE 193 Cb 0.56 0.00 -0.08 0.00 -1.44 0.00 0.00 39.64 38.68 1sie n ILE 193 CO 0.00 0.00 0.00 0.07 -1.77 0.00 0.00 176.55 174.85 1sie h LYS 194 N 0.00 -0.55 0.00 6.28 -0.00 -1.83 2.45 116.57 122.91 1sie h LYS 194 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.69 1sie h LYS 194 Cb 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 32.23 32.36 1sie h LYS 194 CO 0.00 -0.31 0.53 1.79 -0.00 0.00 0.00 179.45 181.46 1sie h THR 195 N -0.68 0.00 0.00 0.07 1.35 0.20 4.18 112.91 118.03 1sie h THR 195 Ca -0.06 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.76 1sie h THR 195 Cb 0.50 0.41 -0.01 0.00 -1.73 0.00 0.00 68.15 67.32 1sie h THR 195 CO 0.10 0.00 -1.55 0.00 -0.25 0.00 0.00 175.52 173.82 1sie n ILE 196 N -2.63 0.15 0.12 6.82 0.13 0.01 -4.53 119.36 119.43 1sie n ILE 196 Ca -0.01 -0.29 0.02 0.00 -1.10 0.00 0.00 62.75 61.36 1sie n ILE 196 Cb 0.56 0.04 0.01 0.00 -0.84 0.00 0.00 39.64 39.41 1sie n ILE 196 CO 0.00 0.00 0.00 1.07 2.80 0.00 0.00 176.55 180.42 1sie n THR 197 N -1.99 0.06 0.00 9.51 5.66 0.80 -5.02 114.28 123.31 1sie n THR 197 Ca -0.05 -0.53 0.00 0.00 -3.05 0.00 0.00 64.05 60.42 1sie n THR 197 Cb 0.41 1.03 0.00 0.00 -1.55 0.00 0.00 70.33 70.22 1sie n THR 197 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1sie n LYS 198 N 0.15 0.00 -1.62 1.09 4.76 1.31 -4.87 118.16 118.98 1sie n LYS 198 Ca 0.02 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.07 1sie n LYS 198 Cb 0.09 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.32 1sie n LYS 198 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1sie n LYS 199 N 0.00 1.11 -0.32 1.97 5.02 -1.26 -4.66 118.16 120.01 1sie n LYS 199 Ca 0.00 0.41 -0.23 0.00 -2.02 0.00 0.00 58.31 56.47 1sie n LYS 199 Cb 0.00 -2.14 0.21 0.00 -0.02 0.00 0.00 35.03 33.08 1sie n LYS 199 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1sie n ASP 200 N -0.29 -3.20 -4.38 4.39 9.92 -1.26 -4.17 116.55 117.56 1sie n ASP 200 Ca 0.12 -0.75 -0.29 0.00 -0.53 0.00 0.00 54.79 53.34 1sie n ASP 200 Cb 0.44 -0.75 0.20 0.00 -0.64 0.00 0.00 41.12 40.37 1sie n ASP 200 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 1sie s MET 201 N -4.65 -0.14 0.13 -1.24 -1.94 -1.26 -4.85 119.30 105.34 1sie s MET 201 Ca 0.51 0.26 -0.09 0.00 -1.71 0.00 0.00 55.69 54.66 1sie s MET 201 Cb -0.08 -1.69 -0.00 0.00 2.01 0.00 0.00 34.83 35.06 1sie s MET 201 CO 0.42 -3.06 0.25 0.08 -0.01 0.00 0.00 175.02 172.70 1sie s VAL 202 N -3.03 0.10 0.55 -6.03 1.01 -1.26 -5.03 120.40 106.72 1sie s VAL 202 Ca 0.67 -1.26 0.23 0.00 0.00 0.00 0.00 61.98 61.63 1sie s VAL 202 Cb -0.15 -1.59 0.33 0.00 0.00 0.00 0.00 36.38 34.97 1sie s VAL 202 CO 0.57 -0.45 2.13 -0.55 0.00 0.00 0.00 175.10 176.80 1sie h ASN 203 N 2.62 0.00 0.02 3.32 -1.07 -1.98 -0.88 115.58 117.62 1sie h ASN 203 Ca -0.33 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.01 1sie h ASN 203 Cb 1.22 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.46 1sie h ASN 203 CO 0.52 0.00 -0.08 0.11 0.07 0.00 0.00 177.43 178.05 1sie h LYS 204 N 0.00 0.15 0.00 4.14 1.57 -1.93 0.90 116.57 121.40 1sie h LYS 204 Ca 0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1sie h LYS 204 Cb 0.31 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1sie h LYS 204 CO -0.00 0.24 0.00 -0.44 -0.57 0.00 0.00 179.45 178.68 1sie h ASP 205 N 0.15 0.00 0.19 0.86 3.32 -1.47 0.42 116.42 119.88 1sie h ASP 205 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1sie h ASP 205 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1sie h ASP 205 CO 0.01 0.00 0.00 1.67 -1.72 0.00 0.00 179.24 179.20 1sie n GLN 206 N -2.69 0.53 0.00 3.56 7.27 0.31 0.33 117.38 126.69 1sie n GLN 206 Ca 0.01 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.12 1sie n GLN 206 Cb 0.27 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.42 1sie n GLN 206 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 1sie n VAL 207 N -1.13 0.00 -2.40 1.69 0.24 0.14 -4.47 118.33 112.41 1sie n VAL 207 Ca 0.14 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 62.06 1sie n VAL 207 Cb 0.12 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.46 1sie n VAL 207 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1sie s LEU 208 N 0.00 3.29 -0.69 1.34 2.96 -1.14 -4.33 118.68 120.11 1sie s LEU 208 Ca 0.00 -0.68 -0.14 0.00 -0.22 0.00 0.00 54.13 53.09 1sie s LEU 208 Cb 0.00 -2.56 0.18 0.00 0.50 0.00 0.00 46.19 44.31 1sie s LEU 208 CO 0.00 -1.95 0.63 0.21 -1.32 0.00 0.00 176.35 173.91 1sie s ASN 209 N 5.49 6.41 0.00 3.68 2.47 -1.09 -4.81 114.94 127.08 1sie s ASN 209 Ca 0.49 -2.32 0.00 0.00 0.42 0.00 0.00 52.86 51.45 1sie s ASN 209 Cb -0.06 -2.18 0.00 0.00 -1.45 0.00 0.00 41.25 37.56 1sie s ASN 209 CO 0.06 -0.68 0.67 -2.65 -3.72 0.00 0.00 177.10 170.78 1sie n PRO 210 N 4.48 0.00 -0.14 0.43 -0.02 -1.26 0.12 135.00 138.61 1sie n PRO 210 Ca 0.02 0.22 -0.28 0.00 -2.02 0.00 0.00 63.50 61.44 1sie n PRO 210 Cb 0.44 -1.57 -0.10 0.00 -0.02 0.00 0.00 33.50 32.25 1sie n PRO 210 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1sie n ILE 211 N -1.17 1.52 -0.79 4.25 -0.00 -1.26 -4.63 119.36 117.29 1sie n ILE 211 Ca 0.00 -0.41 -0.42 0.00 -0.00 0.00 0.00 62.75 61.92 1sie n ILE 211 Cb 0.07 -1.81 -0.10 0.00 -0.00 0.00 0.00 39.64 37.80 1sie n ILE 211 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1sie n SER 212 N -4.09 1.47 -4.08 4.38 7.64 0.32 -4.76 113.62 114.49 1sie n SER 212 Ca -0.53 -2.55 -0.23 0.00 1.01 0.00 0.00 58.87 56.56 1sie n SER 212 Cb 0.90 -0.78 -0.16 0.00 -1.01 0.00 0.00 64.21 63.17 1sie n SER 212 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1sie s LYS 213 N 6.58 1.37 0.26 1.43 1.02 -1.26 0.79 119.74 129.92 1sie s LYS 213 Ca 0.67 -0.48 0.06 0.00 0.02 0.00 0.00 55.97 56.24 1sie s LYS 213 Cb 0.13 -1.24 -0.02 0.00 -0.52 0.00 0.00 37.83 36.18 1sie s LYS 213 CO 0.27 0.21 0.22 0.00 -0.92 0.00 0.00 175.35 175.13 1sie n ALA 214 N 3.11 0.56 -2.53 5.17 0.00 -0.97 -4.96 120.51 120.89 1sie n ALA 214 Ca -0.17 -1.52 -0.25 0.00 0.00 0.00 0.00 53.44 51.49 1sie n ALA 214 Cb 0.54 1.23 -0.10 0.00 0.00 0.00 0.00 19.45 21.12 1sie n ALA 214 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1sie s LYS 215 N -3.06 1.88 -0.03 0.00 1.02 -1.26 -0.37 119.74 117.92 1sie s LYS 215 Ca 0.31 -1.83 0.00 0.00 0.02 0.00 0.00 55.97 54.48 1sie s LYS 215 Cb 0.02 -1.80 0.04 0.00 -0.52 0.00 0.00 37.83 35.56 1sie s LYS 215 CO 0.22 0.19 1.47 1.28 -0.92 0.00 0.00 175.35 177.59 1sie n LEU 216 N -0.81 4.21 -0.23 3.17 4.77 0.18 -4.56 117.00 123.73 1sie n LEU 216 Ca -0.05 -2.02 0.03 0.00 -0.03 0.00 0.00 56.01 53.95 1sie n LEU 216 Cb 0.62 -0.78 0.15 0.00 -2.33 0.00 0.00 43.42 41.08 1sie n LEU 216 CO 0.42 0.75 0.98 -2.24 -1.33 0.00 0.00 177.39 175.97 1sie h ASP 217 N 0.49 0.18 -0.57 -1.43 2.03 -1.95 -3.43 116.42 111.74 1sie h ASP 217 Ca 0.04 0.11 0.00 0.00 -0.73 0.00 0.00 57.03 56.45 1sie h ASP 217 Cb 1.06 0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1sie h ASP 217 CO 0.08 0.07 0.00 0.29 -1.03 0.00 0.00 179.24 178.66 1sie n LYS 218 N -5.05 3.30 -3.63 4.15 4.01 -1.26 -5.14 118.16 114.55 1sie n LYS 218 Ca 0.12 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.80 1sie n LYS 218 Cb 0.37 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.82 1sie n LYS 218 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1sie s ASP 219 N -1.00 -0.61 -1.42 4.39 -1.08 -1.26 -4.87 116.67 110.81 1sie s ASP 219 Ca 0.00 1.16 -0.09 0.00 -0.52 0.00 0.00 52.55 53.10 1sie s ASP 219 Cb 0.00 1.17 0.03 0.00 -1.46 0.00 0.00 42.92 42.66 1sie s ASP 219 CO 0.00 -0.21 1.05 0.61 0.52 0.00 0.00 175.17 177.13 1sie n GLY 220 N 2.41 -0.53 0.00 2.66 0.00 0.26 -4.79 105.19 105.19 1sie n GLY 220 Ca -0.13 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1sie n GLY 220 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1sie n MET 221 N -4.78 0.25 -2.81 1.61 1.56 -1.25 -4.89 117.12 106.83 1sie n MET 221 Ca -0.00 0.00 -0.43 0.00 -0.27 0.00 0.00 57.70 57.00 1sie n MET 221 Cb 0.56 -0.58 -0.04 0.00 2.15 0.00 0.00 33.22 35.31 1sie n MET 221 CO 0.00 0.00 0.00 0.71 -0.73 0.00 0.00 175.97 175.95 1sie s TYR 222 N -1.17 2.85 0.35 1.12 1.51 -1.26 -3.05 117.35 117.70 1sie s TYR 222 Ca 0.00 0.24 -0.28 0.00 -1.01 0.00 0.00 57.07 56.02 1sie s TYR 222 Cb 0.00 -4.05 -0.10 0.00 -0.11 0.00 0.00 41.96 37.70 1sie s TYR 222 CO 0.00 -1.22 1.34 -1.25 -1.11 0.00 0.00 175.55 173.31 1sie s PRO 223 N 3.91 4.28 0.43 -1.71 0.04 -1.26 0.14 135.00 140.82 1sie s PRO 223 Ca 0.35 2.29 0.20 0.00 0.04 0.00 0.00 61.00 63.88 1sie s PRO 223 Cb -0.11 -3.03 0.98 0.00 0.04 0.00 0.00 34.50 32.38 1sie s PRO 223 CO 0.24 -0.28 1.89 0.28 0.04 0.00 0.00 177.00 179.17 1sie h VAL 224 N 2.98 0.87 -0.33 -0.36 2.07 -0.38 -2.18 116.25 118.93 1sie h VAL 224 Ca -0.49 -1.06 0.10 0.00 0.82 0.00 0.00 66.70 66.06 1sie h VAL 224 Cb 1.23 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 1sie h VAL 224 CO 0.65 0.26 0.60 -0.08 0.02 0.00 0.00 177.57 179.02 1sie h GLU 225 N 0.00 0.00 0.00 1.57 4.81 -1.89 -3.25 114.58 115.82 1sie h GLU 225 Ca -0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 1sie h GLU 225 Cb 0.61 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1sie h GLU 225 CO 0.04 0.00 -1.31 -0.89 -0.73 0.00 0.00 179.01 176.11 1sie n ILE 226 N -3.23 0.31 -3.11 2.32 5.41 -0.90 -4.74 119.36 115.41 1sie n ILE 226 Ca 0.06 -0.08 -0.39 0.00 1.00 0.00 0.00 62.75 63.34 1sie n ILE 226 Cb 0.73 -1.50 -0.06 0.00 -0.71 0.00 0.00 39.64 38.10 1sie n ILE 226 CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 1sie s TRP 227 N -2.10 3.81 0.05 1.39 0.52 -0.87 -3.08 118.94 118.65 1sie s TRP 227 Ca -0.08 1.42 0.01 0.00 0.02 0.00 0.00 56.10 57.47 1sie s TRP 227 Cb 0.03 -2.66 -0.03 0.00 -1.15 0.00 0.00 33.47 29.66 1sie s TRP 227 CO 0.10 0.47 -0.05 -1.01 0.02 0.00 0.00 176.95 176.48 1sie s HIS 228 N -0.79 0.54 -0.48 -1.98 3.76 0.53 -4.69 115.29 112.18 1sie s HIS 228 Ca 0.33 -0.70 -0.27 0.00 -0.15 0.00 0.00 55.06 54.27 1sie s HIS 228 Cb -0.21 -0.35 -0.03 0.00 1.11 0.00 0.00 32.58 33.10 1sie s HIS 228 CO 0.22 -0.19 1.97 -1.25 -0.85 0.00 0.00 174.74 174.63 1sie s PRO 229 N -2.40 2.77 -0.03 8.40 0.04 -1.26 0.92 135.00 143.44 1sie s PRO 229 Ca -0.05 1.09 -0.30 0.00 0.04 0.00 0.00 61.00 61.78 1sie s PRO 229 Cb -0.04 -4.37 -0.03 0.00 0.04 0.00 0.00 34.50 30.11 1sie s PRO 229 CO -0.03 -2.54 0.99 0.34 0.04 0.00 0.00 177.00 175.80 1sie s ASP 230 N 8.30 7.33 -1.43 6.66 2.15 -0.49 -4.83 116.67 134.37 1sie s ASP 230 Ca 0.79 1.64 -0.12 0.00 0.43 0.00 0.00 52.55 55.28 1sie s ASP 230 Cb -0.18 -2.57 0.06 0.00 -0.30 0.00 0.00 42.92 39.94 1sie s ASP 230 CO 0.26 -0.31 2.23 -0.81 -0.17 0.00 0.00 175.17 176.37 1sie n PRO 231 N 4.18 3.17 -1.58 4.34 -0.04 -1.26 -4.76 135.00 139.05 1sie n PRO 231 Ca 0.07 -2.80 -0.46 0.00 -0.04 0.00 0.00 63.50 60.27 1sie n PRO 231 Cb 0.50 -3.14 -0.04 0.00 -0.04 0.00 0.00 33.50 30.79 1sie n PRO 231 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sie n ALA 232 N 5.19 1.46 -0.05 0.55 0.00 -1.26 -4.65 120.51 121.76 1sie n ALA 232 Ca 0.52 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.95 1sie n ALA 232 Cb 0.36 -2.75 0.09 0.00 0.00 0.00 0.00 19.45 17.16 1sie n ALA 232 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1sie n LYS 233 N 8.17 0.00 -4.57 0.00 -0.00 -1.26 -3.87 118.16 116.63 1sie n LYS 233 Ca 0.30 0.22 -0.33 0.00 -0.00 0.00 0.00 58.31 58.50 1sie n LYS 233 Cb 0.37 -0.54 -0.13 0.00 -0.00 0.00 0.00 35.03 34.74 1sie n LYS 233 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1sie s ASN 234 N -3.15 4.50 -0.27 -5.58 0.01 -1.26 -5.15 114.94 104.05 1sie s ASN 234 Ca -0.01 -0.18 -0.25 0.00 -0.71 0.00 0.00 52.86 51.71 1sie s ASN 234 Cb 0.03 -1.62 0.09 0.00 0.41 0.00 0.00 41.25 40.17 1sie s ASN 234 CO 0.10 0.20 0.84 -0.70 -1.51 0.00 0.00 177.10 176.03 1sie s GLU 235 N 0.16 0.72 -0.11 -0.60 2.56 -1.25 -5.02 118.70 115.15 1sie s GLU 235 Ca -0.04 0.82 0.14 0.00 0.00 0.00 0.00 54.97 55.90 1sie s GLU 235 Cb -0.14 0.35 0.30 0.00 2.00 0.00 0.00 34.13 36.64 1sie s GLU 235 CO 0.04 -0.09 1.15 -1.71 -0.56 0.00 0.00 175.26 174.08 1sie n ASN 236 N 2.44 1.53 -4.39 -1.70 5.15 -1.26 -5.03 115.26 111.99 1sie n ASN 236 Ca -0.14 -2.99 -0.20 0.00 -0.60 0.00 0.00 54.58 50.66 1sie n ASN 236 Cb 0.55 -0.40 -0.10 0.00 -0.53 0.00 0.00 39.78 39.30 1sie n ASN 236 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1sie s THR 237 N -2.04 1.32 -0.07 -0.44 2.01 -1.26 -1.27 115.64 113.89 1sie s THR 237 Ca 0.29 -2.06 -0.01 0.00 0.31 0.00 0.00 61.69 60.21 1sie s THR 237 Cb 0.28 -2.47 0.03 0.00 0.01 0.00 0.00 72.50 70.35 1sie s THR 237 CO -0.04 -0.26 -0.01 -0.13 -0.69 0.00 0.00 174.62 173.49 1sie s ARG 238 N -3.81 0.67 0.20 4.92 1.81 -0.50 -4.95 118.95 117.29 1sie s ARG 238 Ca 0.30 0.06 0.07 0.00 -1.72 0.00 0.00 55.73 54.45 1sie s ARG 238 Cb 0.05 -0.97 -0.05 0.00 -0.45 0.00 0.00 34.95 33.54 1sie s ARG 238 CO 0.11 -0.27 -0.14 1.52 -0.68 0.00 0.00 175.30 175.85 1sie s TYR 239 N 1.78 1.66 -0.01 -0.53 -0.85 -1.26 -1.32 117.35 116.82 1sie s TYR 239 Ca 0.02 -0.59 -0.28 0.00 -0.52 0.00 0.00 57.07 55.70 1sie s TYR 239 Cb -0.13 -0.78 0.09 0.00 0.38 0.00 0.00 41.96 41.53 1sie s TYR 239 CO -0.05 0.33 0.79 -0.06 -1.52 0.00 0.00 175.55 175.04 1sie s PHE 240 N -2.99 -0.48 0.00 -3.49 0.40 0.12 -4.95 117.98 106.59 1sie s PHE 240 Ca 0.22 0.59 0.00 0.00 -0.60 0.00 0.00 56.93 57.14 1sie s PHE 240 Cb -0.00 0.49 0.00 0.00 0.51 0.00 0.00 43.02 44.01 1sie s PHE 240 CO 0.06 -0.59 0.00 0.41 0.70 0.00 0.00 175.22 175.80 1sie n GLY 241 N 0.27 -0.79 3.31 4.36 0.00 -1.26 0.69 105.19 111.77 1sie n GLY 241 Ca -0.14 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.68 1sie n GLY 241 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sie s ASN 242 N 0.00 -0.31 -0.08 1.61 2.20 0.72 -4.94 114.94 114.14 1sie s ASN 242 Ca 0.00 0.22 -0.03 0.00 -0.94 0.00 0.00 52.86 52.12 1sie s ASN 242 Cb 0.00 0.38 -0.03 0.00 -2.00 0.00 0.00 41.25 39.59 1sie s ASN 242 CO 0.00 -0.51 0.03 -0.47 -2.94 0.00 0.00 177.10 173.22 1sie s TYR 243 N -1.42 3.26 -0.30 1.54 5.04 -1.26 -2.66 117.35 121.54 1sie s TYR 243 Ca -0.12 0.26 -0.02 0.00 -2.44 0.00 0.00 57.07 54.74 1sie s TYR 243 Cb -0.03 -1.81 0.11 0.00 0.35 0.00 0.00 41.96 40.58 1sie s TYR 243 CO 0.05 0.53 0.18 0.99 -1.34 0.00 0.00 175.55 175.96 1sie s THR 244 N -0.94 -0.09 0.00 4.34 2.01 -1.01 -5.03 115.64 114.92 1sie s THR 244 Ca 0.14 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.24 1sie s THR 244 Cb -0.11 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.40 1sie s THR 244 CO 0.04 -0.73 0.00 0.61 -0.69 0.00 0.00 174.62 173.84 1sie n GLY 245 N 5.00 -2.01 0.00 4.40 0.00 -1.26 -0.26 105.19 111.05 1sie n GLY 245 Ca -0.01 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1sie n GLY 245 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sie n GLY 246 N 2.47 2.44 0.12 -0.02 0.00 -1.26 -3.83 105.19 105.11 1sie n GLY 246 Ca 0.00 -1.75 -0.17 0.00 0.00 0.00 0.00 46.02 44.10 1sie n GLY 246 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sie n THR 247 N 1.38 1.68 -1.70 2.61 -2.24 -1.26 0.09 114.28 114.84 1sie n THR 247 Ca 0.00 -0.70 0.06 0.00 -2.27 0.00 0.00 64.05 61.14 1sie n THR 247 Cb 0.00 -1.43 0.13 0.00 -2.10 0.00 0.00 70.33 66.93 1sie n THR 247 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1sie n THR 248 N -3.29 1.47 -2.42 4.28 -2.24 -1.26 -3.46 114.28 107.35 1sie n THR 248 Ca -0.30 -2.25 -0.42 0.00 -2.27 0.00 0.00 64.05 58.81 1sie n THR 248 Cb 1.05 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 1sie n THR 248 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1sie s THR 249 N -2.18 4.18 0.17 4.28 2.01 -1.26 -4.47 115.64 118.37 1sie s THR 249 Ca 0.32 1.51 -0.32 0.00 0.31 0.00 0.00 61.69 63.51 1sie s THR 249 Cb 0.32 -3.97 -0.10 0.00 0.01 0.00 0.00 72.50 68.75 1sie s THR 249 CO -0.06 -0.02 1.61 -2.84 -0.69 0.00 0.00 174.62 172.62 1sie s PRO 250 N 2.42 4.19 0.54 4.92 0.02 -1.26 -1.09 135.00 144.74 1sie s PRO 250 Ca 0.57 2.42 -0.17 0.00 0.02 0.00 0.00 61.00 63.83 1sie s PRO 250 Cb -0.25 -3.15 -0.06 0.00 0.02 0.00 0.00 34.50 31.06 1sie s PRO 250 CO 0.22 -0.64 1.03 -2.14 -0.33 0.00 0.00 177.00 175.13 1sie s PRO 251 N 1.20 3.64 0.01 5.54 0.02 -1.26 -4.98 135.00 139.16 1sie s PRO 251 Ca 0.71 1.18 -0.08 0.00 0.02 0.00 0.00 61.00 62.84 1sie s PRO 251 Cb -0.45 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 31.99 1sie s PRO 251 CO 0.31 -0.54 0.15 0.08 -0.33 0.00 0.00 177.00 176.67 1sie s VAL 252 N -2.36 0.09 0.34 3.83 1.01 -1.26 -5.17 120.40 116.88 1sie s VAL 252 Ca 0.63 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 1sie s VAL 252 Cb -0.14 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 35.78 1sie s VAL 252 CO 0.30 -0.39 0.67 -0.22 0.00 0.00 0.00 175.10 175.45 1sie s LEU 253 N -1.46 0.23 -0.56 3.92 0.20 -1.26 -5.12 118.68 114.63 1sie s LEU 253 Ca -0.14 -1.10 0.05 0.00 0.69 0.00 0.00 54.13 53.63 1sie s LEU 253 Cb -0.07 2.37 0.18 0.00 -0.43 0.00 0.00 46.19 48.25 1sie s LEU 253 CO 0.01 -1.47 0.46 0.00 -0.29 0.00 0.00 176.35 175.06 1sie n GLN 254 N -0.51 1.16 -1.65 1.98 1.13 -1.26 -5.03 117.38 113.20 1sie n GLN 254 Ca -0.05 -3.89 -0.17 0.00 -1.94 0.00 0.00 57.00 50.96 1sie n GLN 254 Cb 0.60 -1.95 -0.06 0.00 0.11 0.00 0.00 30.24 28.93 1sie n GLN 254 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1sie s PHE 255 N -0.94 1.25 -0.28 1.08 0.08 -1.26 -4.83 117.98 113.08 1sie s PHE 255 Ca 0.30 1.75 -0.25 0.00 0.12 0.00 0.00 56.93 58.85 1sie s PHE 255 Cb 0.03 -3.55 0.13 0.00 -0.57 0.00 0.00 43.02 39.06 1sie s PHE 255 CO -0.16 -1.64 1.05 -0.08 -0.10 0.00 0.00 175.22 174.29 1sie s THR 256 N 13.91 0.00 -0.48 0.64 -1.32 -1.26 -5.03 115.64 122.10 1sie s THR 256 Ca 0.89 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 61.40 1sie s THR 256 Cb -0.12 -1.00 0.57 0.00 -1.51 0.00 0.00 72.50 70.44 1sie s THR 256 CO 0.07 0.00 1.84 -0.46 -2.21 0.00 0.00 174.62 173.86 1sie n ASN 257 N 2.23 4.76 -0.04 8.08 2.04 -1.26 -4.69 115.26 126.37 1sie n ASN 257 Ca -0.12 -3.70 -0.04 0.00 -0.44 0.00 0.00 54.58 50.28 1sie n ASN 257 Cb 0.56 -0.82 -0.01 0.00 -2.53 0.00 0.00 39.78 36.98 1sie n ASN 257 CO 0.00 0.00 0.00 0.41 -0.44 0.00 0.00 177.26 177.23 1sie n THR 258 N -1.06 0.78 -4.04 5.53 -1.04 -1.26 -4.98 114.28 108.21 1sie n THR 258 Ca 0.56 0.33 -0.28 0.00 -2.04 0.00 0.00 64.05 62.61 1sie n THR 258 Cb 1.24 -1.97 -0.05 0.00 -1.82 0.00 0.00 70.33 67.73 1sie n THR 258 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1sie s LEU 259 N -6.53 3.90 0.47 -4.42 1.43 -1.26 -5.10 118.68 107.16 1sie s LEU 259 Ca -0.12 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1sie s LEU 259 Cb 0.02 -2.53 0.01 0.00 0.03 0.00 0.00 46.19 43.71 1sie s LEU 259 CO 0.17 0.11 0.68 0.42 0.23 0.00 0.00 176.35 177.97 1sie s THR 260 N -1.59 3.67 -0.02 5.49 -4.23 -1.26 -4.82 115.64 112.87 1sie s THR 260 Ca 0.31 -0.58 0.05 0.00 -1.18 0.00 0.00 61.69 60.29 1sie s THR 260 Cb -0.11 -3.35 -0.01 0.00 1.34 0.00 0.00 72.50 70.37 1sie s THR 260 CO 0.24 -0.24 -0.16 -0.89 -0.54 0.00 0.00 174.62 173.03 1sie s THR 261 N -2.58 1.30 -0.30 3.99 2.01 0.46 -4.95 115.64 115.57 1sie s THR 261 Ca 0.50 -0.68 -0.15 0.00 0.31 0.00 0.00 61.69 61.67 1sie s THR 261 Cb -0.10 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 1sie s THR 261 CO 0.37 0.37 0.38 0.68 -0.69 0.00 0.00 174.62 175.73 1sie s VAL 262 N -0.20 5.16 -2.03 3.82 -7.23 -1.26 0.22 120.40 118.88 1sie s VAL 262 Ca 0.02 0.36 0.12 0.00 -1.81 0.00 0.00 61.98 60.68 1sie s VAL 262 Cb -0.08 -3.76 0.33 0.00 0.56 0.00 0.00 36.38 33.43 1sie s VAL 262 CO 0.00 0.04 1.43 0.18 -0.31 0.00 0.00 175.10 176.45 1sie n LEU 263 N 5.38 0.29 -4.76 1.32 4.77 0.38 -4.83 117.00 119.54 1sie n LEU 263 Ca -0.08 -0.13 -0.38 0.00 -0.03 0.00 0.00 56.01 55.39 1sie n LEU 263 Cb 0.50 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.57 1sie n LEU 263 CO 0.39 0.07 0.90 -0.76 -1.33 0.00 0.00 177.39 176.65 1sie s LEU 264 N -1.35 3.98 0.00 2.23 1.02 -0.91 -3.38 118.68 120.27 1sie s LEU 264 Ca 0.19 2.51 -0.02 0.00 0.02 0.00 0.00 54.13 56.83 1sie s LEU 264 Cb 0.09 -4.21 0.14 0.00 0.02 0.00 0.00 46.19 42.23 1sie s LEU 264 CO 0.15 -1.14 0.93 -0.90 0.02 0.00 0.00 176.35 175.40 1sie n ASP 265 N -0.60 1.04 0.26 2.29 5.75 -1.26 -4.54 116.55 119.49 1sie n ASP 265 Ca 0.08 -1.93 0.09 0.00 -0.01 0.00 0.00 54.79 53.02 1sie n ASP 265 Cb 0.46 -0.62 0.67 0.00 -1.03 0.00 0.00 41.12 40.61 1sie n ASP 265 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1sie h GLU 266 N 0.00 0.00 -0.08 0.11 5.08 -1.99 -0.93 114.58 116.77 1sie h GLU 266 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1sie h GLU 266 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1sie h GLU 266 CO 0.31 0.03 0.00 0.09 -1.00 0.00 0.00 179.01 178.44 1sie n ASN 267 N -4.36 2.96 -0.99 1.42 3.02 -1.26 -4.94 115.26 111.11 1sie n ASN 267 Ca -0.03 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 1sie n ASN 267 Cb 0.11 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 1sie n ASN 267 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sie n GLY 268 N 1.29 0.77 1.58 7.41 0.00 -0.35 -5.04 105.19 110.85 1sie n GLY 268 Ca 0.14 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1sie n GLY 268 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sie n VAL 269 N -0.93 0.40 -0.03 1.61 0.31 -1.25 -4.79 118.33 113.66 1sie n VAL 269 Ca 0.00 0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 1sie n VAL 269 Cb 0.33 -0.96 -0.00 0.00 -0.91 0.00 0.00 33.84 32.29 1sie n VAL 269 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sie n GLY 270 N 2.31 -1.66 3.84 2.92 0.00 -1.22 -4.55 105.19 106.84 1sie n GLY 270 Ca 0.00 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 1sie n GLY 270 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sie s PRO 271 N -1.58 3.00 -0.14 1.61 0.02 -1.10 -4.74 135.00 132.06 1sie s PRO 271 Ca 0.00 0.82 -0.02 0.00 0.02 0.00 0.00 61.00 61.83 1sie s PRO 271 Cb 0.00 -2.01 0.04 0.00 0.02 0.00 0.00 34.50 32.55 1sie s PRO 271 CO 0.00 -1.02 -0.01 -0.51 -0.33 0.00 0.00 177.00 175.13 1sie s LEU 272 N -5.46 1.11 -0.58 -5.54 1.02 -1.26 -0.06 118.68 107.91 1sie s LEU 272 Ca 0.58 -0.50 -0.26 0.00 0.02 0.00 0.00 54.13 53.96 1sie s LEU 272 Cb -0.13 -0.65 -0.04 0.00 0.02 0.00 0.00 46.19 45.39 1sie s LEU 272 CO 0.54 -0.22 2.03 0.00 0.02 0.00 0.00 176.35 178.72 1sie s LYS 274 N 7.43 3.95 4.07 0.00 -2.85 -0.54 -4.30 119.74 127.50 1sie s LYS 274 Ca 0.77 0.92 0.00 0.00 -1.00 0.00 0.00 55.97 56.66 1sie s LYS 274 Cb -0.14 -2.16 0.00 0.00 -2.06 0.00 0.00 37.83 33.47 1sie s LYS 274 CO 0.22 -0.24 0.00 0.41 0.10 0.00 0.00 175.35 175.84 1sie n GLY 275 N -1.50 0.71 1.32 0.59 0.00 -1.26 -2.05 105.19 103.00 1sie n GLY 275 Ca 0.06 -0.83 0.02 0.00 0.00 0.00 0.00 46.02 45.27 1sie n GLY 275 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sie n GLU 276 N 6.98 1.04 -2.96 1.61 -0.58 -1.26 -4.99 120.64 120.48 1sie n GLU 276 Ca 0.00 -2.80 -0.40 0.00 -0.42 0.00 0.00 57.16 53.54 1sie n GLU 276 Cb 0.00 -0.94 -0.05 0.00 -0.57 0.00 0.00 31.44 29.88 1sie n GLU 276 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1sie s GLY 277 N -2.76 2.88 -0.21 0.62 0.00 -0.87 -1.27 107.32 105.71 1sie s GLY 277 Ca 0.36 0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.44 1sie s GLY 277 CO -0.10 1.02 -0.14 -2.27 0.00 0.00 0.00 173.10 171.60 1sie s LEU 278 N -0.59 2.67 -0.30 0.66 0.20 0.11 -4.16 118.68 117.27 1sie s LEU 278 Ca 0.38 -0.82 -0.07 0.00 0.69 0.00 0.00 54.13 54.32 1sie s LEU 278 Cb -0.22 -1.55 0.01 0.00 -0.43 0.00 0.00 46.19 44.00 1sie s LEU 278 CO 0.25 -0.06 0.08 -0.31 -0.29 0.00 0.00 176.35 176.02 1sie s TYR 279 N 1.28 3.15 -0.11 5.38 1.51 0.13 0.36 117.35 129.06 1sie s TYR 279 Ca 0.01 -1.02 -0.03 0.00 -1.01 0.00 0.00 57.07 55.02 1sie s TYR 279 Cb -0.15 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.41 1sie s TYR 279 CO -0.09 -0.59 0.03 -0.51 -1.11 0.00 0.00 175.55 173.28 1sie s LEU 280 N 1.49 3.72 -0.18 -1.29 1.43 -0.66 -0.64 118.68 122.55 1sie s LEU 280 Ca 0.02 0.18 -0.23 0.00 -1.03 0.00 0.00 54.13 53.07 1sie s LEU 280 Cb -0.17 -1.87 0.06 0.00 0.03 0.00 0.00 46.19 44.23 1sie s LEU 280 CO 0.02 0.35 0.61 -0.94 0.23 0.00 0.00 176.35 176.62 1sie s SER 281 N -0.71 -0.61 0.09 2.29 1.04 -0.24 -1.00 113.70 114.56 1sie s SER 281 Ca 0.12 1.06 -0.23 0.00 0.48 0.00 0.00 55.95 57.38 1sie s SER 281 Cb -0.12 1.06 0.08 0.00 0.10 0.00 0.00 66.02 67.14 1sie s SER 281 CO 0.02 -0.30 1.07 0.00 0.98 0.00 0.00 173.24 175.01 1sie s VAL 283 N -2.06 0.00 -0.40 0.00 -7.23 0.14 -2.49 120.40 108.36 1sie s VAL 283 Ca 0.25 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.44 1sie s VAL 283 Cb -0.02 -1.00 0.16 0.00 0.56 0.00 0.00 36.38 36.08 1sie s VAL 283 CO 0.03 0.00 0.30 -1.81 -0.31 0.00 0.00 175.10 173.31 1sie s ASP 284 N 0.46 1.95 0.09 4.85 1.01 -1.24 -1.58 116.67 122.21 1sie s ASP 284 Ca -0.01 -2.80 -0.28 0.00 0.71 0.00 0.00 52.55 50.17 1sie s ASP 284 Cb -0.05 -0.44 -0.06 0.00 1.01 0.00 0.00 42.92 43.38 1sie s ASP 284 CO -0.01 -0.21 0.90 -0.63 0.21 0.00 0.00 175.17 175.43 1sie s ILE 285 N 0.35 4.58 -0.62 0.77 1.09 0.50 -2.51 121.20 125.36 1sie s ILE 285 Ca 0.28 1.92 0.15 0.00 -1.10 0.00 0.00 60.65 61.91 1sie s ILE 285 Cb -0.05 -4.25 -0.18 0.00 -1.06 0.00 0.00 42.46 36.92 1sie s ILE 285 CO -0.13 0.33 0.60 0.23 -0.10 0.00 0.00 174.94 175.87 1sie n MET 286 N 2.80 1.77 0.00 2.79 2.81 0.14 -0.53 117.12 126.89 1sie n MET 286 Ca 0.01 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1sie n MET 286 Cb 0.50 -1.24 0.00 0.00 -0.71 0.00 0.00 33.22 31.77 1sie n MET 286 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sie n GLY 287 N 1.39 0.45 3.38 3.03 0.00 -1.20 -4.61 105.19 107.64 1sie n GLY 287 Ca 0.02 -2.22 -0.27 0.00 0.00 0.00 0.00 46.02 43.56 1sie n GLY 287 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1sie s TRP 288 N -0.49 2.18 -0.04 1.61 -2.14 0.48 -0.74 118.94 119.80 1sie s TRP 288 Ca 0.00 -0.39 -0.15 0.00 2.66 0.00 0.00 56.10 58.22 1sie s TRP 288 Cb 0.00 -1.13 -0.05 0.00 -3.10 0.00 0.00 33.47 29.19 1sie s TRP 288 CO 0.00 0.39 0.40 0.50 -2.66 0.00 0.00 176.95 175.57 1sie s ARG 289 N -2.38 4.01 -0.26 3.25 3.52 -0.98 -2.81 118.95 123.30 1sie s ARG 289 Ca 0.16 0.36 -0.00 0.00 -0.13 0.00 0.00 55.73 56.12 1sie s ARG 289 Cb -0.09 -3.28 0.04 0.00 -1.56 0.00 0.00 34.95 30.06 1sie s ARG 289 CO 0.07 0.55 -0.07 0.08 -0.81 0.00 0.00 175.30 175.13 1sie s VAL 290 N -0.61 2.67 0.51 7.11 1.01 -1.26 0.33 120.40 130.15 1sie s VAL 290 Ca 0.23 -1.27 -0.22 0.00 0.00 0.00 0.00 61.98 60.73 1sie s VAL 290 Cb -0.16 -2.44 -0.08 0.00 0.00 0.00 0.00 36.38 33.71 1sie s VAL 290 CO 0.11 0.09 1.04 0.35 0.00 0.00 0.00 175.10 176.69 1sie n THR 291 N 4.59 3.05 -2.95 3.92 -2.24 -0.15 -1.36 114.28 119.15 1sie n THR 291 Ca -0.15 -0.50 -0.44 0.00 -2.27 0.00 0.00 64.05 60.69 1sie n THR 291 Cb 0.45 -1.23 -0.03 0.00 -2.10 0.00 0.00 70.33 67.41 1sie n THR 291 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1sie s ARG 292 N -2.40 3.31 0.00 -0.78 3.00 -1.15 -3.49 118.95 117.43 1sie s ARG 292 Ca 0.69 -1.35 0.00 0.00 -1.00 0.00 0.00 55.73 54.07 1sie s ARG 292 Cb -0.48 -4.52 0.00 0.00 0.00 0.00 0.00 34.95 29.95 1sie s ARG 292 CO 0.52 -1.73 0.00 -1.71 0.00 0.00 0.00 175.30 172.38 1sie n ASN 293 N 6.88 0.00 -2.39 -2.12 2.85 -1.26 -4.78 115.26 114.44 1sie n ASN 293 Ca 0.07 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.50 1sie n ASN 293 Cb 0.46 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.49 1sie n ASN 293 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1sie n TYR 294 N 0.00 -1.62 -3.03 1.20 4.01 -1.26 -5.00 117.16 111.47 1sie n TYR 294 Ca 0.00 -0.32 -0.44 0.00 -0.16 0.00 0.00 57.90 56.99 1sie n TYR 294 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 1sie n TYR 294 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1sie n ASP 295 N -2.13 5.62 -4.31 7.72 9.92 -1.26 -4.44 116.55 127.67 1sie n ASP 295 Ca 0.00 -3.13 -0.38 0.00 -0.53 0.00 0.00 54.79 50.75 1sie n ASP 295 Cb 0.09 -1.41 -0.12 0.00 -0.64 0.00 0.00 41.12 39.03 1sie n ASP 295 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1sie s VAL 296 N -0.76 3.95 0.66 2.53 1.01 -1.26 -4.98 120.40 121.54 1sie s VAL 296 Ca 0.35 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1sie s VAL 296 Cb -0.02 -3.17 0.13 0.00 0.00 0.00 0.00 36.38 33.32 1sie s VAL 296 CO -0.00 -0.11 0.90 1.41 0.00 0.00 0.00 175.10 177.30 1sie n HIS 297 N 4.85 -3.00 0.00 5.22 -0.00 -1.26 -0.98 115.22 120.05 1sie n HIS 297 Ca -0.13 -1.57 0.00 0.00 -0.00 0.00 0.00 57.72 56.02 1sie n HIS 297 Cb 0.46 -0.66 0.00 0.00 -0.00 0.00 0.00 29.99 29.79 1sie n HIS 297 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1sie n HIS 298 N -2.73 0.00 -0.61 4.41 1.44 0.15 -3.67 115.22 114.20 1sie n HIS 298 Ca 0.15 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.64 1sie n HIS 298 Cb 0.53 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.66 1sie n HIS 298 CO 0.00 0.00 0.00 0.91 -2.81 0.00 0.00 176.34 174.44 1sie n TRP 299 N 0.00 -2.84 -4.08 -1.40 8.01 -1.26 -2.33 117.44 113.55 1sie n TRP 299 Ca 0.00 0.03 -0.14 0.00 -1.31 0.00 0.00 57.50 56.08 1sie n TRP 299 Cb 0.00 -0.87 -0.13 0.00 -2.01 0.00 0.00 31.31 28.31 1sie n TRP 299 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.69 177.18 1sie s ARG 300 N -1.07 0.44 0.17 -0.99 3.52 0.08 -0.63 118.95 120.46 1sie s ARG 300 Ca 0.25 -0.49 0.05 0.00 -0.13 0.00 0.00 55.73 55.41 1sie s ARG 300 Cb -0.14 -0.28 -0.05 0.00 -1.56 0.00 0.00 34.95 32.92 1sie s ARG 300 CO 0.47 0.06 -0.08 0.20 -0.81 0.00 0.00 175.30 175.14 1sie s GLY 301 N -0.93 1.19 0.28 8.12 0.00 -1.26 0.23 107.32 114.95 1sie s GLY 301 Ca -0.05 -1.56 0.11 0.00 0.00 0.00 0.00 44.72 43.22 1sie s GLY 301 CO 0.00 -1.62 -0.18 1.08 0.00 0.00 0.00 173.10 172.39 1sie s LEU 302 N -3.21 2.60 0.48 0.66 1.43 -1.04 -4.88 118.68 114.71 1sie s LEU 302 Ca 0.19 -1.05 -0.14 0.00 -1.03 0.00 0.00 54.13 52.10 1sie s LEU 302 Cb 0.03 -1.01 -0.07 0.00 0.03 0.00 0.00 46.19 45.17 1sie s LEU 302 CO 0.03 -0.03 0.90 -2.16 0.23 0.00 0.00 176.35 175.32 1sie s PRO 303 N -3.55 3.87 0.09 1.29 0.04 -1.26 -4.23 135.00 131.26 1sie s PRO 303 Ca 0.29 0.76 0.10 0.00 0.04 0.00 0.00 61.00 62.19 1sie s PRO 303 Cb -0.03 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1sie s PRO 303 CO 0.14 -0.19 -0.26 0.50 0.04 0.00 0.00 177.00 177.23 1sie s ARG 304 N -4.01 1.63 0.26 4.56 3.52 -0.77 -1.56 118.95 122.57 1sie s ARG 304 Ca 0.56 -1.22 0.10 0.00 -0.13 0.00 0.00 55.73 55.04 1sie s ARG 304 Cb -0.10 -1.96 -0.04 0.00 -1.56 0.00 0.00 34.95 31.28 1sie s ARG 304 CO 0.32 0.48 -0.05 -0.47 -0.81 0.00 0.00 175.30 174.77 1sie s TYR 305 N -0.96 2.62 0.01 5.12 6.14 0.16 -0.35 117.35 130.09 1sie s TYR 305 Ca 0.13 -0.24 0.00 0.00 0.64 0.00 0.00 57.07 57.61 1sie s TYR 305 Cb -0.10 -1.16 -0.01 0.00 0.42 0.00 0.00 41.96 41.11 1sie s TYR 305 CO 0.05 0.63 -0.02 -0.06 0.64 0.00 0.00 175.55 176.78 1sie s PHE 306 N -2.30 0.21 -0.36 4.97 0.40 0.48 -1.85 117.98 119.52 1sie s PHE 306 Ca 0.31 -0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.44 1sie s PHE 306 Cb -0.06 -0.14 0.13 0.00 0.51 0.00 0.00 43.02 43.46 1sie s PHE 306 CO 0.19 -0.06 0.20 0.21 0.70 0.00 0.00 175.22 176.46 1sie s LYS 307 N -0.52 0.71 0.04 0.44 2.20 0.14 -1.29 119.74 121.46 1sie s LYS 307 Ca -0.04 -1.38 -0.23 0.00 -0.36 0.00 0.00 55.97 53.95 1sie s LYS 307 Cb -0.04 -1.60 -0.06 0.00 -1.51 0.00 0.00 37.83 34.62 1sie s LYS 307 CO -0.00 -1.16 0.69 0.42 -0.36 0.00 0.00 175.35 174.94 1sie s ILE 308 N 1.06 4.75 -0.18 5.43 1.09 -0.19 -1.40 121.20 131.76 1sie s ILE 308 Ca 0.16 1.46 -0.01 0.00 -1.10 0.00 0.00 60.65 61.17 1sie s ILE 308 Cb -0.22 -4.03 0.01 0.00 -1.06 0.00 0.00 42.46 37.15 1sie s ILE 308 CO -0.06 0.42 -0.14 -0.89 -0.10 0.00 0.00 174.94 174.17 1sie s THR 309 N -0.32 2.62 0.07 2.92 2.01 0.03 -2.07 115.64 120.89 1sie s THR 309 Ca 0.35 -0.76 0.05 0.00 0.31 0.00 0.00 61.69 61.64 1sie s THR 309 Cb -0.20 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 1sie s THR 309 CO 0.21 0.50 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.74 1sie s LEU 310 N 1.21 2.27 0.43 4.42 1.02 -0.80 0.64 118.68 127.86 1sie s LEU 310 Ca 0.02 -0.60 0.03 0.00 0.02 0.00 0.00 54.13 53.60 1sie s LEU 310 Cb -0.14 -0.50 -0.03 0.00 0.02 0.00 0.00 46.19 45.54 1sie s LEU 310 CO -0.06 -0.07 0.07 0.00 0.02 0.00 0.00 176.35 176.30 1sie s ARG 311 N -1.68 1.99 -0.23 1.70 1.70 -0.02 -1.45 118.95 120.95 1sie s ARG 311 Ca -0.02 -2.22 -0.09 0.00 -0.47 0.00 0.00 55.73 52.93 1sie s ARG 311 Cb -0.10 -1.01 -0.04 0.00 -0.57 0.00 0.00 34.95 33.22 1sie s ARG 311 CO 0.02 -0.38 0.13 0.15 -1.08 0.00 0.00 175.30 174.14 1sie s LYS 312 N -3.79 3.97 0.00 3.89 1.02 -1.26 -0.85 119.74 122.72 1sie s LYS 312 Ca 0.20 -0.33 0.05 0.00 0.02 0.00 0.00 55.97 55.91 1sie s LYS 312 Cb 0.03 -3.44 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 1sie s LYS 312 CO 0.11 0.04 -0.15 0.50 -0.92 0.00 0.00 175.35 174.93 1sie s ARG 313 N 1.07 1.16 0.09 1.68 3.52 0.41 -4.92 118.95 121.97 1sie s ARG 313 Ca 0.06 -0.60 -0.30 0.00 -0.13 0.00 0.00 55.73 54.76 1sie s ARG 313 Cb -0.14 -1.14 -0.05 0.00 -1.56 0.00 0.00 34.95 32.06 1sie s ARG 313 CO 0.04 0.31 0.97 -1.58 -0.81 0.00 0.00 175.30 174.23 1sie s TRP 314 N -0.48 3.78 0.23 5.12 0.23 -1.26 0.35 118.94 126.91 1sie s TRP 314 Ca 0.05 1.78 -0.09 0.00 -2.03 0.00 0.00 56.10 55.80 1sie s TRP 314 Cb -0.06 -3.07 -0.01 0.00 0.03 0.00 0.00 33.47 30.35 1sie s TRP 314 CO -0.00 0.14 0.37 0.14 0.96 0.00 0.00 176.95 178.56 1sie s VAL 315 N 0.18 0.01 0.31 4.03 -7.23 0.27 -4.95 120.40 113.01 1sie s VAL 315 Ca 0.48 -1.56 -0.23 0.00 -1.81 0.00 0.00 61.98 58.86 1sie s VAL 315 Cb -0.23 -2.25 -0.10 0.00 0.56 0.00 0.00 36.38 34.36 1sie s VAL 315 CO 0.30 -0.02 0.88 -0.54 -0.31 0.00 0.00 175.10 175.40 1sie s LYS 316 N -4.05 4.41 0.30 4.82 1.02 -1.26 -0.37 119.74 124.60 1sie s LYS 316 Ca 0.26 1.14 -0.30 0.00 0.02 0.00 0.00 55.97 57.09 1sie s LYS 316 Cb 0.02 -2.70 -0.12 0.00 -0.52 0.00 0.00 37.83 34.51 1sie s LYS 316 CO 0.09 0.25 1.44 -1.71 -0.92 0.00 0.00 175.35 174.51 1sie n ASN 317 N 0.35 3.21 0.00 2.83 2.85 -0.53 -4.77 115.26 119.20 1sie n ASN 317 Ca 0.02 1.17 0.09 0.00 -0.11 0.00 0.00 54.58 55.75 1sie n ASN 317 Cb 0.51 -1.51 -0.14 0.00 1.24 0.00 0.00 39.78 39.87 1sie n ASN 317 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1sie n PRO 318 N 1.53 0.65 -3.11 1.20 -0.04 -1.26 -4.96 135.00 129.00 1sie n PRO 318 Ca 0.08 -0.13 -0.42 0.00 -0.04 0.00 0.00 63.50 62.99 1sie n PRO 318 Cb 0.35 -1.57 -0.07 0.00 -0.04 0.00 0.00 33.50 32.17 1sie n PRO 318 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1sie s TYR 319 N -3.40 3.16 -0.52 0.54 2.02 -1.26 -5.04 117.35 112.85 1sie s TYR 319 Ca -0.07 0.38 -0.17 0.00 -0.37 0.00 0.00 57.07 56.84 1sie s TYR 319 Cb 0.13 -3.13 0.09 0.00 -0.40 0.00 0.00 41.96 38.65 1sie s TYR 319 CO 0.88 -0.61 0.54 -1.25 -1.57 0.00 0.00 175.55 173.54 1sie s PRO 320 N 2.70 3.03 0.63 -1.71 0.05 -1.26 -4.86 135.00 133.59 1sie s PRO 320 Ca 0.25 -1.30 0.24 0.00 0.05 0.00 0.00 61.00 60.23 1sie s PRO 320 Cb -0.14 -4.18 1.16 0.00 0.05 0.00 0.00 34.50 31.38 1sie s PRO 320 CO 0.14 -1.24 1.63 0.52 0.05 0.00 0.00 177.00 178.10 1sie h MET 321 N 8.93 0.00 0.32 4.56 2.86 -1.97 1.07 114.93 130.70 1sie h MET 321 Ca -0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1sie h MET 321 Cb 1.10 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.73 1sie h MET 321 CO 0.98 0.00 -0.46 0.00 1.06 0.00 0.00 176.91 178.49 1sie h ALA 322 N 0.98 -0.94 -0.77 6.32 0.00 -1.97 0.86 119.26 123.74 1sie h ALA 322 Ca 0.16 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.08 1sie h ALA 322 Cb 1.50 0.70 -0.14 0.00 0.00 0.00 0.00 17.79 19.86 1sie h ALA 322 CO -0.00 -1.08 -0.30 1.03 0.00 0.00 0.00 179.25 178.89 1sie h SER 323 N -0.83 -1.10 -0.06 0.00 0.87 0.82 1.70 113.55 114.95 1sie h SER 323 Ca -0.02 0.25 0.02 0.00 -1.23 0.00 0.00 61.79 60.81 1sie h SER 323 Cb 0.77 0.60 -0.05 0.00 -0.44 0.00 0.00 62.40 63.27 1sie h SER 323 CO -0.14 -0.29 -0.49 -0.07 -0.53 0.00 0.00 176.83 175.31 1sie h LEU 324 N -0.07 -1.52 -1.56 2.23 3.38 -1.34 0.71 115.31 117.14 1sie h LEU 324 Ca 0.32 0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.43 1sie h LEU 324 Cb 0.58 0.59 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1sie h LEU 324 CO -0.81 -0.45 -0.17 -0.29 0.09 0.00 0.00 178.44 176.80 1sie h ILE 325 N -0.57 0.56 -0.01 1.22 6.09 0.98 -2.40 117.51 123.40 1sie h ILE 325 Ca 0.02 -0.81 0.00 0.00 -1.37 0.00 0.00 64.86 62.70 1sie h ILE 325 Cb 0.63 1.53 0.00 0.00 0.47 0.00 0.00 36.82 39.46 1sie h ILE 325 CO -0.36 0.17 -0.26 -1.20 -3.07 0.00 0.00 178.15 173.43 1sie n SER 326 N -3.52 1.33 -0.07 2.19 7.64 0.56 -2.38 113.62 119.36 1sie n SER 326 Ca -0.01 -1.11 -0.13 0.00 1.01 0.00 0.00 58.87 58.63 1sie n SER 326 Cb 0.32 0.18 -0.06 0.00 -1.01 0.00 0.00 64.21 63.65 1sie n SER 326 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1sie h SER 327 N 1.67 0.52 0.39 6.43 0.87 0.92 -2.62 113.55 121.74 1sie h SER 327 Ca 0.00 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1sie h SER 327 Cb 0.57 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1sie h SER 327 CO 0.00 0.87 0.00 0.18 -0.53 0.00 0.00 176.83 177.35 1sie n LEU 328 N -4.46 0.64 0.12 2.23 4.32 -1.00 -2.01 117.00 116.84 1sie n LEU 328 Ca -0.05 0.72 -0.24 0.00 -0.02 0.00 0.00 56.01 56.42 1sie n LEU 328 Cb 0.39 -0.70 -0.16 0.00 -1.62 0.00 0.00 43.42 41.33 1sie n LEU 328 CO 0.41 -0.76 -0.21 -0.26 -1.22 0.00 0.00 177.39 175.35 1sie h PHE 329 N 0.00 0.87 0.00 -1.77 0.04 -1.37 -3.18 116.94 111.53 1sie h PHE 329 Ca 0.00 -0.64 0.00 0.00 2.80 0.00 0.00 57.97 60.13 1sie h PHE 329 Cb 0.20 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1sie h PHE 329 CO 0.00 1.53 0.00 -1.71 -0.60 0.00 0.00 178.31 177.53 1sie n ASN 330 N -3.80 0.00 -0.27 2.17 5.15 -0.85 -0.96 115.26 116.70 1sie n ASN 330 Ca -0.17 -1.42 0.02 0.00 -0.60 0.00 0.00 54.58 52.42 1sie n ASN 330 Cb 1.05 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 40.35 1sie n ASN 330 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1sie n ASN 331 N -0.53 2.24 -0.82 1.20 5.03 -1.20 -3.83 115.26 117.35 1sie n ASN 331 Ca 0.01 -1.86 0.13 0.00 0.87 0.00 0.00 54.58 53.72 1sie n ASN 331 Cb 0.00 -0.09 0.24 0.00 -1.02 0.00 0.00 39.78 38.92 1sie n ASN 331 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 1sie n MET 332 N 0.01 2.13 -3.54 3.52 2.81 -0.14 -4.89 117.12 117.02 1sie n MET 332 Ca 0.05 -1.65 -0.13 0.00 -1.81 0.00 0.00 57.70 54.16 1sie n MET 332 Cb 0.29 -1.47 -0.04 0.00 -0.71 0.00 0.00 33.22 31.29 1sie n MET 332 CO 0.00 0.00 0.00 -0.48 1.51 0.00 0.00 175.97 177.00 1sie s LEU 333 N -1.95 -0.14 0.00 4.03 0.05 -1.25 -5.14 118.68 114.29 1sie s LEU 333 Ca 0.32 0.05 -0.00 0.00 0.05 0.00 0.00 54.13 54.55 1sie s LEU 333 Cb 0.20 2.22 0.00 0.00 -2.05 0.00 0.00 46.19 46.56 1sie s LEU 333 CO 0.31 -0.81 0.01 -0.81 -0.55 0.00 0.00 176.35 174.50 1sie n PRO 334 N 0.09 0.22 -3.30 1.48 -0.04 -1.26 -4.79 135.00 127.40 1sie n PRO 334 Ca -0.17 -0.01 -0.39 0.00 -0.04 0.00 0.00 63.50 62.88 1sie n PRO 334 Cb 0.62 -0.01 -0.08 0.00 -0.04 0.00 0.00 33.50 34.00 1sie n PRO 334 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1sie s GLN 335 N -2.79 4.09 -0.09 0.54 -1.52 -1.26 -4.97 119.66 113.66 1sie s GLN 335 Ca 0.00 0.24 0.02 0.00 -1.95 0.00 0.00 55.36 53.68 1sie s GLN 335 Cb -0.00 -3.62 -0.02 0.00 -0.22 0.00 0.00 33.01 29.15 1sie s GLN 335 CO 0.00 -0.26 -0.16 0.14 -0.25 0.00 0.00 175.29 174.77 1sie s VAL 336 N 2.01 2.87 -0.12 1.09 -7.23 -1.26 -5.03 120.40 112.73 1sie s VAL 336 Ca 0.20 -0.76 -0.10 0.00 -1.81 0.00 0.00 61.98 59.51 1sie s VAL 336 Cb -0.15 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 1sie s VAL 336 CO 0.09 0.56 -0.20 0.00 -0.31 0.00 0.00 175.10 175.24 1sie n GLN 337 N 3.00 0.36 -0.78 4.82 3.00 -1.26 -5.12 117.38 121.40 1sie n GLN 337 Ca -0.18 0.30 0.06 0.00 -0.01 0.00 0.00 57.00 57.17 1sie n GLN 337 Cb 0.52 -1.31 -0.03 0.00 0.00 0.00 0.00 30.24 29.42 1sie n GLN 337 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1sie n GLY 338 N 1.56 -3.20 3.19 1.08 0.00 -1.26 -4.96 105.19 101.60 1sie n GLY 338 Ca -0.08 -1.17 -0.37 0.00 0.00 0.00 0.00 46.02 44.39 1sie n GLY 338 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sie n GLN 339 N -2.80 0.03 -2.05 1.61 6.02 -1.26 -4.87 117.38 114.07 1sie n GLN 339 Ca -0.03 0.02 -0.43 0.00 -0.01 0.00 0.00 57.00 56.55 1sie n GLN 339 Cb 0.32 -1.11 -0.03 0.00 1.02 0.00 0.00 30.24 30.44 1sie n GLN 339 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1sie s PRO 340 N -1.61 3.48 -0.37 -1.09 0.04 -1.26 -4.91 135.00 129.29 1sie s PRO 340 Ca 0.52 1.48 0.06 0.00 0.04 0.00 0.00 61.00 63.09 1sie s PRO 340 Cb -0.36 -4.14 0.44 0.00 0.04 0.00 0.00 34.50 30.48 1sie s PRO 340 CO 0.71 -1.68 1.23 -1.33 0.04 0.00 0.00 177.00 175.98 1sie n MET 341 N 8.20 3.49 0.00 4.56 2.81 -1.26 -0.59 117.12 134.32 1sie n MET 341 Ca 0.21 -4.22 0.00 0.00 -1.81 0.00 0.00 57.70 51.88 1sie n MET 341 Cb 0.46 -2.27 0.00 0.00 -0.71 0.00 0.00 33.22 30.70 1sie n MET 341 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1sie n GLU 342 N -0.64 0.00 0.00 0.03 2.13 -1.26 -4.92 120.64 115.98 1sie n GLU 342 Ca 0.44 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.26 1sie n GLU 342 Cb 0.83 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.54 1sie n GLU 342 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sie n GLY 343 N -0.54 0.28 0.56 8.31 0.00 -1.26 -4.16 105.19 108.38 1sie n GLY 343 Ca 0.00 -1.83 0.07 0.00 0.00 0.00 0.00 46.02 44.26 1sie n GLY 343 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sie n GLU 344 N 0.00 1.04 -0.93 1.61 1.02 -1.26 -4.41 120.64 117.71 1sie n GLU 344 Ca 0.00 -1.38 0.05 0.00 -0.02 0.00 0.00 57.16 55.81 1sie n GLU 344 Cb 0.00 -1.26 0.10 0.00 -0.02 0.00 0.00 31.44 30.26 1sie n GLU 344 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sie n ASN 345 N 0.75 1.30 -4.64 1.62 4.13 -1.26 -5.06 115.26 112.10 1sie n ASN 345 Ca 0.08 -2.85 -0.47 0.00 1.68 0.00 0.00 54.58 53.02 1sie n ASN 345 Cb 0.35 -0.39 -0.04 0.00 -1.54 0.00 0.00 39.78 38.15 1sie n ASN 345 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1sie n THR 346 N -0.35 0.32 -1.09 3.41 -1.04 -1.25 -4.66 114.28 109.61 1sie n THR 346 Ca 0.11 -0.08 -0.16 0.00 -2.04 0.00 0.00 64.05 61.88 1sie n THR 346 Cb 0.88 -1.28 0.22 0.00 -1.82 0.00 0.00 70.33 68.34 1sie n THR 346 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sie n GLN 347 N 2.71 2.80 -3.27 -2.82 6.02 0.24 -4.67 117.38 118.38 1sie n GLN 347 Ca 0.16 -2.96 -0.43 0.00 -0.01 0.00 0.00 57.00 53.76 1sie n GLN 347 Cb 0.27 -2.17 -0.08 0.00 1.02 0.00 0.00 30.24 29.28 1sie n GLN 347 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1sie s VAL 348 N -3.09 5.04 -0.00 5.09 1.01 -1.26 -4.90 120.40 122.29 1sie s VAL 348 Ca 0.55 -0.50 0.15 0.00 0.00 0.00 0.00 61.98 62.18 1sie s VAL 348 Cb 0.45 -4.14 0.05 0.00 0.00 0.00 0.00 36.38 32.75 1sie s VAL 348 CO 0.12 -0.57 1.53 -0.33 0.00 0.00 0.00 175.10 175.84 1sie h GLU 349 N 8.82 0.00 -1.09 2.72 5.08 -2.00 -3.48 114.58 124.63 1sie h GLU 349 Ca -0.27 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.32 1sie h GLU 349 Cb 1.11 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.08 1sie h GLU 349 CO 0.86 0.52 0.92 -2.00 -1.00 0.00 0.00 179.01 178.32 1sie s GLU 350 N -3.17 0.09 -0.02 2.33 -6.30 -1.26 -5.16 118.70 105.22 1sie s GLU 350 Ca 0.02 0.03 0.01 0.00 -2.50 0.00 0.00 54.97 52.53 1sie s GLU 350 Cb 0.09 0.04 0.01 0.00 0.00 0.00 0.00 34.13 34.28 1sie s GLU 350 CO 0.73 -0.03 -0.02 0.08 0.02 0.00 0.00 175.26 176.04 1sie s VAL 351 N -0.95 0.27 0.02 3.70 1.01 -1.26 -5.14 120.40 118.04 1sie s VAL 351 Ca 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 1sie s VAL 351 Cb -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 1sie s VAL 351 CO -0.08 0.12 0.02 0.00 0.00 0.00 0.00 175.10 175.16 1sie s ARG 352 N 0.48 0.37 0.01 2.72 1.70 -1.26 -5.13 118.95 117.83 1sie s ARG 352 Ca -0.05 -0.57 0.06 0.00 -0.47 0.00 0.00 55.73 54.70 1sie s ARG 352 Cb -0.08 0.14 -0.02 0.00 -0.57 0.00 0.00 34.95 34.42 1sie s ARG 352 CO -0.01 -0.07 -0.19 0.08 -1.08 0.00 0.00 175.30 174.04 1sie s VAL 353 N -1.52 1.48 0.08 4.99 1.01 -1.26 -5.13 120.40 120.05 1sie s VAL 353 Ca -0.15 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 60.96 1sie s VAL 353 Cb -0.09 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1sie s VAL 353 CO -0.01 0.32 -0.15 -0.31 0.00 0.00 0.00 175.10 174.95 1sie s TYR 354 N -0.57 1.28 0.00 5.22 1.51 -1.26 -5.04 117.35 118.49 1sie s TYR 354 Ca 0.07 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 1sie s TYR 354 Cb -0.08 -0.71 0.00 0.00 -0.11 0.00 0.00 41.96 41.06 1sie s TYR 354 CO 0.00 0.08 0.00 -3.47 -1.11 0.00 0.00 175.55 171.05 1sie n ASP 355 N 1.20 0.00 -1.38 2.29 2.03 -1.26 -5.12 116.55 114.31 1sie n ASP 355 Ca -0.21 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.10 1sie n ASP 355 Cb 0.54 0.09 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 1sie n ASP 355 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sie n GLY 356 N 0.83 1.17 3.31 0.27 0.00 -1.26 -5.11 105.19 104.40 1sie n GLY 356 Ca 0.00 -1.54 -0.03 0.00 0.00 0.00 0.00 46.02 44.44 1sie n GLY 356 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sie s THR 357 N 1.00 -0.83 0.28 2.61 2.01 -1.26 -5.16 115.64 114.30 1sie s THR 357 Ca 0.00 0.04 0.12 0.00 0.31 0.00 0.00 61.69 62.16 1sie s THR 357 Cb 0.00 -0.87 -0.05 0.00 0.01 0.00 0.00 72.50 71.59 1sie s THR 357 CO 0.00 0.00 -0.18 -1.83 -0.69 0.00 0.00 174.62 171.92 1sie s GLU 358 N 2.75 1.75 0.79 4.92 -1.05 -1.26 -5.11 118.70 121.49 1sie s GLU 358 Ca 0.04 -1.73 -0.11 0.00 -0.15 0.00 0.00 54.97 53.02 1sie s GLU 358 Cb -0.13 -1.81 0.07 0.00 -0.44 0.00 0.00 34.13 31.81 1sie s GLU 358 CO -0.17 0.33 1.09 -2.14 0.95 0.00 0.00 175.26 175.32 1sie s PRO 359 N -3.53 2.12 0.18 -4.83 0.02 -1.26 -4.90 135.00 122.81 1sie s PRO 359 Ca 0.30 0.80 -0.32 0.00 0.02 0.00 0.00 61.00 61.80 1sie s PRO 359 Cb -0.05 -1.91 -0.11 0.00 0.02 0.00 0.00 34.50 32.45 1sie s PRO 359 CO 0.16 -1.63 1.65 0.08 -0.33 0.00 0.00 177.00 176.93 1sie s VAL 360 N -3.06 2.32 0.80 3.83 1.01 -1.26 -4.98 120.40 119.07 1sie s VAL 360 Ca 0.61 0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.72 1sie s VAL 360 Cb -0.15 -3.14 0.13 0.00 0.00 0.00 0.00 36.38 33.21 1sie s VAL 360 CO 0.55 0.02 1.13 -2.16 0.00 0.00 0.00 175.10 174.63 1sie s PRO 361 N 1.22 1.51 0.00 2.72 0.04 -1.26 -5.09 135.00 134.13 1sie s PRO 361 Ca 0.73 -0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1sie s PRO 361 Cb -0.47 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1sie s PRO 361 CO 0.32 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 176.04 1sie n GLY 362 N -3.22 0.64 3.55 0.56 0.00 -1.26 -4.77 105.19 100.69 1sie n GLY 362 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1sie n GLY 362 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sie s ASP 363 N -1.00 4.87 0.15 1.61 -1.08 -1.26 -4.76 116.67 115.19 1sie s ASP 363 Ca 0.00 0.66 0.22 0.00 -0.52 0.00 0.00 52.55 52.92 1sie s ASP 363 Cb 0.00 -2.52 0.88 0.00 -1.46 0.00 0.00 42.92 39.82 1sie s ASP 363 CO 0.00 -2.63 1.68 -0.81 0.52 0.00 0.00 175.17 173.93 1sie n PRO 364 N 9.10 0.13 -1.89 4.34 -0.04 -1.26 -3.04 135.00 142.35 1sie n PRO 364 Ca 0.28 0.29 -0.39 0.00 -0.04 0.00 0.00 63.50 63.64 1sie n PRO 364 Cb 0.53 -1.71 0.04 0.00 -0.04 0.00 0.00 33.50 32.32 1sie n PRO 364 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1sie n ASP 365 N -1.95 7.51 -4.75 3.54 9.92 -1.26 -5.00 116.55 124.56 1sie n ASP 365 Ca 0.04 -3.82 -0.41 0.00 -0.53 0.00 0.00 54.79 50.07 1sie n ASP 365 Cb 0.26 -1.07 -0.02 0.00 -0.64 0.00 0.00 41.12 39.65 1sie n ASP 365 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1sie s MET 366 N -3.99 4.26 -0.95 -1.24 1.75 -1.17 -4.88 119.30 113.09 1sie s MET 366 Ca 0.53 2.32 -0.24 0.00 -1.25 0.00 0.00 55.69 57.05 1sie s MET 366 Cb 0.44 -3.08 -0.01 0.00 2.84 0.00 0.00 34.83 35.02 1sie s MET 366 CO -0.40 -0.39 1.76 0.95 -0.65 0.00 0.00 175.02 176.28 1sie s THR 367 N -0.35 3.63 -0.41 10.11 -4.23 -1.26 -4.74 115.64 118.39 1sie s THR 367 Ca 0.57 -0.51 0.20 0.00 -1.18 0.00 0.00 61.69 60.76 1sie s THR 367 Cb -0.42 -4.41 0.20 0.00 1.34 0.00 0.00 72.50 69.21 1sie s THR 367 CO 0.47 -1.32 1.61 -1.14 -0.54 0.00 0.00 174.62 173.70 1sie n ARG 368 N 8.87 0.14 -3.59 3.99 3.00 -1.26 -4.53 116.66 123.28 1sie n ARG 368 Ca 0.37 0.53 -0.37 0.00 -0.00 0.00 0.00 57.85 58.38 1sie n ARG 368 Cb 0.48 -1.86 -0.06 0.00 0.00 0.00 0.00 32.46 31.02 1sie n ARG 368 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1sie s TYR 369 N -3.39 3.62 0.15 -0.14 2.02 -1.26 -5.01 117.35 113.34 1sie s TYR 369 Ca 0.01 0.77 -0.14 0.00 -0.37 0.00 0.00 57.07 57.34 1sie s TYR 369 Cb 0.07 -2.24 0.03 0.00 -0.40 0.00 0.00 41.96 39.43 1sie s TYR 369 CO 0.25 0.53 1.74 0.28 -1.57 0.00 0.00 175.55 176.78 1sie h VAL 370 N 4.08 1.19 0.00 0.71 2.07 -1.99 -3.10 116.25 119.20 1sie h VAL 370 Ca -0.49 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1sie h VAL 370 Cb 1.20 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1sie h VAL 370 CO 0.65 0.21 0.00 -2.24 0.02 0.00 0.00 177.57 176.21 1sie h ASP 371 N 0.64 0.00 0.33 0.57 3.04 -1.94 -2.63 116.42 116.42 1sie h ASP 371 Ca 0.17 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.94 1sie h ASP 371 Cb 0.11 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.40 1sie h ASP 371 CO -0.02 0.00 -0.10 0.03 -2.04 0.00 0.00 179.24 177.11 1sie h ARG 372 N 0.00 0.00 0.00 4.15 2.47 -1.90 -3.55 114.38 115.55 1sie h ARG 372 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1sie h ARG 372 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 1sie h ARG 372 CO 0.00 0.10 0.00 1.19 0.56 0.00 0.00 179.97 181.82