#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i0b n ARG 4 N 0.00 0.26 -2.12 3.52 0.63 -1.26 -4.92 116.66 112.78 2i0b n ARG 4 Ca 0.00 0.15 -0.37 0.00 -0.92 0.00 0.00 57.85 56.70 2i0b n ARG 4 Cb 0.00 -2.12 0.01 0.00 0.45 0.00 0.00 32.46 30.80 2i0b n ARG 4 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2i0b s SER 5 N -1.76 5.89 -0.01 6.15 0.15 -1.26 -4.77 113.70 118.09 2i0b s SER 5 Ca 0.69 2.44 -0.14 0.00 0.70 0.00 0.00 55.95 59.64 2i0b s SER 5 Cb -0.32 -2.61 -0.06 0.00 -1.71 0.00 0.00 66.02 61.33 2i0b s SER 5 CO 0.55 -1.12 0.39 -0.76 1.20 0.00 0.00 173.24 173.50 2i0b s LEU 6 N -3.19 4.47 -0.21 3.45 1.43 -0.20 -4.91 118.68 119.52 2i0b s LEU 6 Ca 0.66 0.92 -0.21 0.00 -1.03 0.00 0.00 54.13 54.48 2i0b s LEU 6 Cb -0.32 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 2i0b s LEU 6 CO 0.38 0.33 0.63 -0.63 0.23 0.00 0.00 176.35 177.29 2i0b s ILE 7 N -1.04 5.01 -0.23 -0.59 -1.09 -1.26 -1.20 121.20 120.79 2i0b s ILE 7 Ca 0.23 1.17 -0.03 0.00 -2.23 0.00 0.00 60.65 59.78 2i0b s ILE 7 Cb -0.16 -3.94 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 2i0b s ILE 7 CO 0.13 0.09 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.19 2i0b s VAL 8 N 2.04 3.22 0.13 2.92 1.01 -0.23 0.29 120.40 129.78 2i0b s VAL 8 Ca 0.28 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 2i0b s VAL 8 Cb -0.16 -2.52 -0.06 0.00 0.00 0.00 0.00 36.38 33.64 2i0b s VAL 8 CO 0.10 0.34 0.43 0.28 0.00 0.00 0.00 175.10 176.25 2i0b s THR 9 N 1.43 5.06 0.10 3.92 -1.32 0.61 -0.75 115.64 124.70 2i0b s THR 9 Ca 0.04 0.36 -0.03 0.00 -1.21 0.00 0.00 61.69 60.85 2i0b s THR 9 Cb -0.15 -3.64 0.01 0.00 -1.51 0.00 0.00 72.50 67.21 2i0b s THR 9 CO -0.04 0.14 0.20 1.07 -2.21 0.00 0.00 174.62 173.78 2i0b n THR 10 N 0.45 0.00 -3.77 5.08 5.66 -1.04 -1.99 114.28 118.66 2i0b n THR 10 Ca -0.04 -0.30 -0.13 0.00 -3.05 0.00 0.00 64.05 60.53 2i0b n THR 10 Cb 0.52 0.27 -0.09 0.00 -1.55 0.00 0.00 70.33 69.48 2i0b n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 2i0b s ILE 11 N -2.73 0.05 -0.01 1.09 2.07 -1.26 -0.74 121.20 119.67 2i0b s ILE 11 Ca 0.05 -0.40 -0.30 0.00 -1.41 0.00 0.00 60.65 58.59 2i0b s ILE 11 Cb -0.01 -0.56 -0.05 0.00 0.13 0.00 0.00 42.46 41.97 2i0b s ILE 11 CO 0.04 -0.22 1.33 -0.76 -1.91 0.00 0.00 174.94 173.42 2i0b s LEU 12 N -1.03 4.31 -0.30 8.50 1.43 -1.26 -4.55 118.68 125.77 2i0b s LEU 12 Ca -0.11 2.02 -0.11 0.00 -1.03 0.00 0.00 54.13 54.90 2i0b s LEU 12 Cb -0.05 -3.56 0.18 0.00 0.03 0.00 0.00 46.19 42.79 2i0b s LEU 12 CO 0.03 -0.67 0.91 -0.70 0.23 0.00 0.00 176.35 176.15 2i0b s GLU 13 N 2.29 0.32 0.17 1.70 2.56 -0.45 -4.98 118.70 120.33 2i0b s GLU 13 Ca 0.61 0.64 -0.30 0.00 0.00 0.00 0.00 54.97 55.92 2i0b s GLU 13 Cb -0.29 0.37 -0.07 0.00 2.00 0.00 0.00 34.13 36.13 2i0b s GLU 13 CO 0.25 -0.28 1.08 -2.00 -0.56 0.00 0.00 175.26 173.75 2i0b s GLU 14 N 2.80 4.62 -0.41 4.30 2.12 -1.25 -0.27 118.70 130.60 2i0b s GLU 14 Ca 0.04 1.68 0.05 0.00 0.36 0.00 0.00 54.97 57.10 2i0b s GLU 14 Cb -0.10 -3.29 0.62 0.00 0.26 0.00 0.00 34.13 31.62 2i0b s GLU 14 CO -0.15 0.11 1.80 -0.35 -0.54 0.00 0.00 175.26 176.13 2i0b n PRO 15 N 2.37 2.15 -0.02 4.30 -0.04 -1.26 -4.94 135.00 137.55 2i0b n PRO 15 Ca 0.02 -3.07 -0.16 0.00 -0.04 0.00 0.00 63.50 60.26 2i0b n PRO 15 Cb 0.46 -2.09 -0.13 0.00 -0.04 0.00 0.00 33.50 31.71 2i0b n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2i0b h TYR 16 N 1.02 0.24 -3.29 0.54 -1.99 -0.97 0.23 116.97 112.75 2i0b h TYR 16 Ca 0.53 -0.15 -0.30 0.00 2.00 0.00 0.00 58.73 60.81 2i0b h TYR 16 Cb 2.53 -0.02 -0.35 0.00 2.00 0.00 0.00 36.73 40.89 2i0b h TYR 16 CO 1.45 1.04 -0.67 0.08 -0.00 0.00 0.00 178.16 180.06 2i0b s VAL 17 N -2.72 -0.12 0.04 -2.88 1.01 0.03 -0.49 120.40 115.27 2i0b s VAL 17 Ca -0.16 0.29 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 2i0b s VAL 17 Cb -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 2i0b s VAL 17 CO 0.75 0.12 -0.03 -0.76 0.00 0.00 0.00 175.10 175.18 2i0b s LEU 18 N 1.65 2.41 -0.06 3.92 2.01 0.53 -1.34 118.68 127.80 2i0b s LEU 18 Ca -0.03 -0.88 -0.27 0.00 0.01 0.00 0.00 54.13 52.96 2i0b s LEU 18 Cb -0.12 0.19 -0.03 0.00 0.01 0.00 0.00 46.19 46.24 2i0b s LEU 18 CO -0.05 -0.53 0.88 -0.36 1.01 0.00 0.00 176.35 177.30 2i0b s PHE 19 N -3.35 3.57 0.42 0.29 2.99 -1.26 -1.45 117.98 119.20 2i0b s PHE 19 Ca 0.02 1.48 -0.25 0.00 0.00 0.00 0.00 56.93 58.17 2i0b s PHE 19 Cb 0.04 -3.02 -0.08 0.00 0.00 0.00 0.00 43.02 39.95 2i0b s PHE 19 CO -0.08 -0.05 1.32 0.15 -0.00 0.00 0.00 175.22 176.55 2i0b s LYS 20 N 1.30 3.86 0.03 0.44 1.02 0.86 -4.89 119.74 122.36 2i0b s LYS 20 Ca 0.45 2.17 -0.21 0.00 0.02 0.00 0.00 55.97 58.40 2i0b s LYS 20 Cb -0.19 -2.69 -0.06 0.00 -0.52 0.00 0.00 37.83 34.37 2i0b s LYS 20 CO 0.21 -0.59 0.62 0.15 -0.92 0.00 0.00 175.35 174.83 2i0b s LYS 21 N -2.34 4.33 -0.03 1.68 1.02 -1.26 -4.97 119.74 118.17 2i0b s LYS 21 Ca 0.59 0.80 -0.29 0.00 0.02 0.00 0.00 55.97 57.09 2i0b s LYS 21 Cb -0.38 -3.32 0.09 0.00 -0.52 0.00 0.00 37.83 33.69 2i0b s LYS 21 CO 0.49 0.43 0.75 0.45 -0.92 0.00 0.00 175.35 176.55 2i0b s SER 22 N -0.44 -0.55 -0.06 2.83 0.15 -1.26 -5.07 113.70 109.30 2i0b s SER 22 Ca 0.32 0.46 -0.15 0.00 0.70 0.00 0.00 55.95 57.28 2i0b s SER 22 Cb -0.19 0.48 -0.10 0.00 -1.71 0.00 0.00 66.02 64.50 2i0b s SER 22 CO 0.19 -0.62 0.60 0.44 1.20 0.00 0.00 173.24 175.06 2i0b h ASP 23 N 2.64 -0.26 -2.98 5.45 3.32 -2.06 -3.43 116.42 119.09 2i0b h ASP 23 Ca -0.26 -0.16 -0.54 0.00 0.02 0.00 0.00 57.03 56.09 2i0b h ASP 23 Cb 1.18 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 2i0b h ASP 23 CO 0.36 0.25 0.77 -0.75 -1.72 0.00 0.00 179.24 178.16 2i0b s LYS 24 N -2.99 4.31 0.33 3.56 2.20 -1.26 -4.96 119.74 120.94 2i0b s LYS 24 Ca -0.09 1.87 -0.28 0.00 -0.36 0.00 0.00 55.97 57.11 2i0b s LYS 24 Cb 0.00 -3.54 -0.13 0.00 -1.51 0.00 0.00 37.83 32.66 2i0b s LYS 24 CO 0.30 -0.51 1.26 -2.30 -0.36 0.00 0.00 175.35 173.73 2i0b n PRO 25 N 5.17 2.00 -4.03 4.03 -0.02 -1.26 -4.98 135.00 135.92 2i0b n PRO 25 Ca 0.12 0.70 -0.27 0.00 -2.02 0.00 0.00 63.50 62.03 2i0b n PRO 25 Cb 0.44 -2.26 -0.05 0.00 -0.02 0.00 0.00 33.50 31.62 2i0b n PRO 25 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2i0b s LEU 26 N -0.72 3.99 0.10 2.45 1.43 -1.26 -5.13 118.68 119.55 2i0b s LEU 26 Ca 0.57 -0.00 0.08 0.00 -1.03 0.00 0.00 54.13 53.74 2i0b s LEU 26 Cb -0.59 -2.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.99 2i0b s LEU 26 CO 0.61 0.08 -0.20 -0.31 0.23 0.00 0.00 176.35 176.77 2i0b s TYR 27 N -1.69 1.71 0.00 0.29 1.51 -1.26 -4.76 117.35 113.16 2i0b s TYR 27 Ca 0.32 -0.43 0.00 0.00 -1.01 0.00 0.00 57.07 55.95 2i0b s TYR 27 Cb -0.11 -0.93 0.00 0.00 -0.11 0.00 0.00 41.96 40.81 2i0b s TYR 27 CO 0.25 0.20 0.00 0.41 -1.11 0.00 0.00 175.55 175.30 2i0b n GLY 28 N 1.03 3.02 0.30 0.71 0.00 -1.26 -2.59 105.19 106.40 2i0b n GLY 28 Ca -0.19 -0.34 0.19 0.00 0.00 0.00 0.00 46.02 45.68 2i0b n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2i0b h ASN 29 N 8.63 0.00 0.58 1.61 2.35 -1.94 -2.52 115.58 124.29 2i0b h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2i0b h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2i0b h ASN 29 CO 0.00 0.02 0.00 -0.67 -1.65 0.00 0.00 177.43 175.13 2i0b n ASP 30 N -3.17 0.38 0.25 5.81 2.03 -1.07 -2.59 116.55 118.20 2i0b n ASP 30 Ca -0.01 0.60 0.15 0.00 0.52 0.00 0.00 54.79 56.05 2i0b n ASP 30 Cb 0.19 -0.68 0.50 0.00 -0.72 0.00 0.00 41.12 40.42 2i0b n ASP 30 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2i0b h ARG 31 N 0.00 0.00 -6.24 -0.67 3.08 -1.58 -3.45 114.38 105.51 2i0b h ARG 31 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 2i0b h ARG 31 Cb 0.29 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.25 2i0b h ARG 31 CO 0.00 0.00 -0.61 -0.06 -1.07 0.00 0.00 179.97 178.23 2i0b s PHE 32 N -3.50 3.08 0.24 3.04 0.40 -1.07 -0.10 117.98 120.07 2i0b s PHE 32 Ca 0.03 -0.01 -0.13 0.00 -0.60 0.00 0.00 56.93 56.22 2i0b s PHE 32 Cb 0.08 -1.52 -0.00 0.00 0.51 0.00 0.00 43.02 42.08 2i0b s PHE 32 CO 0.58 0.51 0.46 -1.83 0.70 0.00 0.00 175.22 175.65 2i0b s GLU 33 N -2.76 1.50 0.00 0.44 -1.05 -0.53 -4.79 118.70 111.52 2i0b s GLU 33 Ca 0.29 -1.22 0.00 0.00 -0.15 0.00 0.00 54.97 53.89 2i0b s GLU 33 Cb -0.11 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 34.05 2i0b s GLU 33 CO 0.21 -0.62 0.00 0.41 0.95 0.00 0.00 175.26 176.21 2i0b n GLY 34 N -0.36 2.79 0.23 -3.83 0.00 -1.26 -0.35 105.19 102.41 2i0b n GLY 34 Ca -0.03 -1.94 -0.05 0.00 0.00 0.00 0.00 46.02 44.00 2i0b n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2i0b h TYR 35 N 0.00 -0.43 0.00 1.61 3.20 -0.05 -0.59 116.97 120.71 2i0b h TYR 35 Ca 0.00 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 2i0b h TYR 35 Cb 0.00 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 2i0b h TYR 35 CO 0.00 -0.26 -0.32 0.00 -1.64 0.00 0.00 178.16 175.94 2i0b h ILE 37 N 0.00 1.31 -0.83 0.00 1.08 -1.40 -0.38 117.51 117.29 2i0b h ILE 37 Ca -0.00 -1.23 -0.03 0.00 -0.39 0.00 0.00 64.86 63.21 2i0b h ILE 37 Cb 0.60 1.67 -0.04 0.00 -3.07 0.00 0.00 36.82 35.98 2i0b h ILE 37 CO 0.04 0.37 0.39 0.44 -0.69 0.00 0.00 178.15 178.71 2i0b h ASP 38 N 0.15 1.09 -0.06 1.72 3.32 -0.74 -0.60 116.42 121.29 2i0b h ASP 38 Ca 0.04 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 2i0b h ASP 38 Cb 0.64 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 2i0b h ASP 38 CO 0.04 0.92 0.02 0.25 -1.72 0.00 0.00 179.24 178.75 2i0b h LEU 39 N 1.18 0.09 -0.43 1.55 5.85 -0.81 -1.51 115.31 121.23 2i0b h LEU 39 Ca 0.28 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.89 2i0b h LEU 39 Cb 0.13 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 2i0b h LEU 39 CO -0.03 0.25 0.09 0.25 -0.34 0.00 0.00 178.44 178.66 2i0b h LEU 40 N -0.08 0.02 -0.30 2.25 5.85 -0.91 0.23 115.31 122.37 2i0b h LEU 40 Ca 0.02 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2i0b h LEU 40 Cb 0.19 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 2i0b h LEU 40 CO -0.00 0.04 0.00 0.03 -0.34 0.00 0.00 178.44 178.18 2i0b h ARG 41 N 0.23 0.09 -0.24 1.25 3.08 -1.02 -0.63 114.38 117.13 2i0b h ARG 41 Ca 0.21 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.29 2i0b h ARG 41 Cb 0.26 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 2i0b h ARG 41 CO -0.27 0.06 0.06 0.93 -1.07 0.00 0.00 179.97 179.67 2i0b h GLU 42 N 0.09 0.15 -0.47 0.04 4.39 -0.45 -2.24 114.58 116.08 2i0b h GLU 42 Ca 0.14 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.85 2i0b h GLU 42 Cb 0.19 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 2i0b h GLU 42 CO -0.24 0.10 0.28 -0.07 -1.16 0.00 0.00 179.01 177.92 2i0b h LEU 43 N 0.15 0.46 -1.54 1.33 3.38 -0.20 -0.77 115.31 118.12 2i0b h LEU 43 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2i0b h LEU 43 Cb 0.10 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2i0b h LEU 43 CO -0.14 0.33 -0.06 0.77 0.09 0.00 0.00 178.44 179.43 2i0b h SER 44 N 0.57 0.20 -0.07 -0.43 4.64 -0.94 0.12 113.55 117.64 2i0b h SER 44 Ca 0.19 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.43 2i0b h SER 44 Cb 0.01 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2i0b h SER 44 CO -0.08 0.30 -0.14 0.74 -0.87 0.00 0.00 176.83 176.78 2i0b h THR 45 N 0.21 1.42 -0.17 2.95 2.02 -0.85 0.70 112.91 119.19 2i0b h THR 45 Ca 0.05 -1.46 -0.01 0.00 0.77 0.00 0.00 66.41 65.76 2i0b h THR 45 Cb 0.25 2.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 2i0b h THR 45 CO 0.01 0.41 0.05 0.40 0.37 0.00 0.00 175.52 176.76 2i0b h ILE 46 N -0.28 1.18 0.00 3.11 2.04 -0.84 -3.22 117.51 119.50 2i0b h ILE 46 Ca 0.00 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 2i0b h ILE 46 Cb 0.73 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 2i0b h ILE 46 CO 0.03 0.17 -0.68 -0.07 0.00 0.00 0.00 178.15 177.60 2i0b h LEU 47 N 0.10 0.00 -2.82 1.44 3.38 -0.85 -3.49 115.31 113.07 2i0b h LEU 47 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2i0b h LEU 47 Cb 0.22 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.00 2i0b h LEU 47 CO -0.00 0.18 -0.11 0.61 0.09 0.00 0.00 178.44 179.20 2i0b n GLY 48 N 1.20 -0.21 3.05 0.83 0.00 0.24 -5.04 105.19 105.26 2i0b n GLY 48 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 2i0b n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2i0b s PHE 49 N -3.05 0.39 0.43 1.61 -0.12 -0.84 -5.04 117.98 111.36 2i0b s PHE 49 Ca 0.06 -0.81 0.08 0.00 -0.05 0.00 0.00 56.93 56.21 2i0b s PHE 49 Cb -0.01 -0.29 0.00 0.00 -0.63 0.00 0.00 43.02 42.10 2i0b s PHE 49 CO 0.23 -0.31 0.50 0.95 -0.05 0.00 0.00 175.22 176.54 2i0b s THR 50 N -2.85 2.75 0.01 -4.49 -4.23 -1.26 -4.74 115.64 100.83 2i0b s THR 50 Ca -0.03 -1.16 -0.29 0.00 -1.18 0.00 0.00 61.69 59.03 2i0b s THR 50 Cb 0.00 -2.91 0.10 0.00 1.34 0.00 0.00 72.50 71.03 2i0b s THR 50 CO -0.06 0.00 0.99 -0.72 -0.54 0.00 0.00 174.62 174.29 2i0b s TYR 51 N -2.44 -0.23 -0.05 3.99 -0.85 -1.26 -1.03 117.35 115.48 2i0b s TYR 51 Ca 0.52 0.07 0.02 0.00 -0.52 0.00 0.00 57.07 57.16 2i0b s TYR 51 Cb -0.07 0.56 0.01 0.00 0.38 0.00 0.00 41.96 42.85 2i0b s TYR 51 CO 0.31 -0.54 -0.11 -1.83 -1.52 0.00 0.00 175.55 171.85 2i0b s GLU 52 N -3.00 1.45 -0.12 -3.49 -1.05 -0.34 -4.89 118.70 107.27 2i0b s GLU 52 Ca 0.08 -0.38 -0.26 0.00 -0.15 0.00 0.00 54.97 54.26 2i0b s GLU 52 Cb -0.01 -1.25 -0.02 0.00 -0.44 0.00 0.00 34.13 32.41 2i0b s GLU 52 CO -0.05 0.06 0.86 0.42 0.95 0.00 0.00 175.26 177.50 2i0b s ILE 53 N 0.50 4.89 -0.16 1.83 1.01 -1.26 -1.07 121.20 126.95 2i0b s ILE 53 Ca -0.10 1.73 0.00 0.00 0.00 0.00 0.00 60.65 62.28 2i0b s ILE 53 Cb -0.14 -4.18 0.03 0.00 0.01 0.00 0.00 42.46 38.19 2i0b s ILE 53 CO 0.02 0.08 -0.11 -0.13 0.00 0.00 0.00 174.94 174.80 2i0b s ARG 54 N 1.75 2.01 0.35 2.79 0.52 0.07 -4.86 118.95 121.58 2i0b s ARG 54 Ca 0.42 -0.59 -0.28 0.00 -0.52 0.00 0.00 55.73 54.75 2i0b s ARG 54 Cb -0.18 -2.11 -0.10 0.00 0.52 0.00 0.00 34.95 33.08 2i0b s ARG 54 CO 0.16 -0.32 1.33 -0.51 0.02 0.00 0.00 175.30 175.98 2i0b s LEU 55 N 1.51 4.37 0.08 2.53 1.43 -1.26 -2.49 118.68 124.85 2i0b s LEU 55 Ca 0.03 2.73 -0.31 0.00 -1.03 0.00 0.00 54.13 55.55 2i0b s LEU 55 Cb -0.14 -3.70 -0.09 0.00 0.03 0.00 0.00 46.19 42.29 2i0b s LEU 55 CO -0.09 -0.64 1.69 0.54 0.23 0.00 0.00 176.35 178.07 2i0b s VAL 56 N -1.16 2.91 0.20 -1.59 0.11 0.08 -4.85 120.40 116.10 2i0b s VAL 56 Ca 0.51 0.39 -0.11 0.00 -2.93 0.00 0.00 61.98 59.84 2i0b s VAL 56 Cb -0.40 -3.25 0.11 0.00 -1.53 0.00 0.00 36.38 31.31 2i0b s VAL 56 CO 0.54 -0.00 1.82 -0.33 -3.33 0.00 0.00 175.10 173.79 2i0b h GLU 57 N 8.32 0.67 -0.00 1.54 5.08 -1.91 -1.45 114.58 126.82 2i0b h GLU 57 Ca -0.43 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2i0b h GLU 57 Cb 1.20 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2i0b h GLU 57 CO 0.93 0.44 -0.01 -0.40 -1.00 0.00 0.00 179.01 178.97 2i0b n ASP 58 N -4.77 0.25 -1.48 1.42 3.85 -1.26 -4.89 116.55 109.67 2i0b n ASP 58 Ca 0.06 -0.93 -0.19 0.00 -0.71 0.00 0.00 54.79 53.03 2i0b n ASP 58 Cb 0.11 -0.04 -0.07 0.00 -1.35 0.00 0.00 41.12 39.77 2i0b n ASP 58 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2i0b n GLY 59 N 1.08 1.64 3.75 6.12 0.00 -0.55 -4.98 105.19 112.25 2i0b n GLY 59 Ca 0.21 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 2i0b n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i0b s LYS 60 N -3.68 2.62 -0.14 1.61 1.02 -1.26 -5.03 119.74 114.87 2i0b s LYS 60 Ca 0.00 -1.27 -0.16 0.00 0.02 0.00 0.00 55.97 54.56 2i0b s LYS 60 Cb 0.00 -2.37 -0.14 0.00 -0.52 0.00 0.00 37.83 34.81 2i0b s LYS 60 CO 0.00 0.31 0.31 1.88 -0.92 0.00 0.00 175.35 176.94 2i0b h TYR 61 N 1.60 0.00 0.00 3.18 -1.99 -1.89 -2.67 116.97 115.21 2i0b h TYR 61 Ca -0.46 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.27 2i0b h TYR 61 Cb 1.25 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.98 2i0b h TYR 61 CO 0.61 0.63 0.00 0.41 -0.00 0.00 0.00 178.16 179.80 2i0b n GLY 62 N 1.64 3.12 3.23 3.88 0.00 -1.24 -0.87 105.19 114.94 2i0b n GLY 62 Ca -0.10 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 2i0b n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i0b s ALA 63 N 0.00 -0.47 -0.15 4.61 0.00 -1.26 -4.76 121.76 119.73 2i0b s ALA 63 Ca 0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 51.96 51.53 2i0b s ALA 63 Cb 0.00 0.44 -0.05 0.00 0.00 0.00 0.00 23.12 23.51 2i0b s ALA 63 CO 0.00 -0.48 0.22 -1.14 0.00 0.00 0.00 175.76 174.36 2i0b s GLN 64 N -3.29 4.06 0.01 0.00 0.74 -1.26 -2.48 119.66 117.45 2i0b s GLN 64 Ca 0.00 -0.02 -0.30 0.00 0.05 0.00 0.00 55.36 55.09 2i0b s GLN 64 Cb 0.02 -3.36 -0.06 0.00 1.10 0.00 0.00 33.01 30.71 2i0b s GLN 64 CO -0.08 0.39 1.37 0.34 -0.55 0.00 0.00 175.29 176.76 2i0b s ASP 65 N 0.04 6.88 0.32 6.67 -1.08 0.57 -4.92 116.67 125.15 2i0b s ASP 65 Ca 0.14 2.11 0.03 0.00 -0.52 0.00 0.00 52.55 54.31 2i0b s ASP 65 Cb -0.12 -2.56 0.63 0.00 -1.46 0.00 0.00 42.92 39.40 2i0b s ASP 65 CO 0.03 -0.68 1.91 0.44 0.52 0.00 0.00 175.17 177.39 2i0b h ASP 66 N 7.60 0.80 0.00 -0.34 3.32 -1.96 -0.46 116.42 125.38 2i0b h ASP 66 Ca -0.38 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.68 2i0b h ASP 66 Cb 1.18 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.58 2i0b h ASP 66 CO 0.89 0.50 0.00 0.52 -1.72 0.00 0.00 179.24 179.43 2i0b n VAL 67 N -4.51 0.00 1.37 -1.35 0.31 -1.26 -4.38 118.33 108.52 2i0b n VAL 67 Ca 0.14 0.63 0.14 0.00 -0.01 0.00 0.00 64.34 65.24 2i0b n VAL 67 Cb 0.26 -1.38 0.60 0.00 -0.91 0.00 0.00 33.84 32.40 2i0b n VAL 67 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2i0b n ASN 68 N -1.46 0.45 0.00 4.52 6.94 -1.25 -4.94 115.26 119.53 2i0b n ASN 68 Ca 0.00 -0.51 0.00 0.00 -0.02 0.00 0.00 54.58 54.05 2i0b n ASN 68 Cb 0.00 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 2i0b n ASN 68 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2i0b n GLY 69 N 1.30 0.41 3.90 4.83 0.00 -0.18 -5.01 105.19 110.43 2i0b n GLY 69 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 2i0b n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2i0b s GLN 70 N -0.60 3.64 0.30 1.61 -0.21 -1.26 -4.68 119.66 118.47 2i0b s GLN 70 Ca 0.00 0.21 0.06 0.00 0.02 0.00 0.00 55.36 55.65 2i0b s GLN 70 Cb 0.00 -2.46 -0.02 0.00 1.00 0.00 0.00 33.01 31.53 2i0b s GLN 70 CO 0.00 -0.02 0.42 -1.58 -2.12 0.00 0.00 175.29 171.99 2i0b s TRP 71 N -2.43 3.23 0.23 0.91 0.52 -1.26 -0.31 118.94 119.82 2i0b s TRP 71 Ca 0.47 -0.15 0.04 0.00 0.02 0.00 0.00 56.10 56.48 2i0b s TRP 71 Cb -0.10 -1.83 -0.01 0.00 -1.15 0.00 0.00 33.47 30.37 2i0b s TRP 71 CO 0.36 0.16 0.14 0.27 0.02 0.00 0.00 176.95 177.90 2i0b n ASN 72 N -1.55 0.20 0.00 2.95 0.23 -1.03 -4.71 115.26 111.35 2i0b n ASN 72 Ca -0.03 -2.38 0.00 0.00 -0.53 0.00 0.00 54.58 51.64 2i0b n ASN 72 Cb 0.58 0.89 0.00 0.00 -2.08 0.00 0.00 39.78 39.17 2i0b n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2i0b n GLY 73 N -0.10 0.81 0.32 4.83 0.00 -1.26 -2.40 105.19 107.38 2i0b n GLY 73 Ca 0.01 -0.76 0.04 0.00 0.00 0.00 0.00 46.02 45.31 2i0b n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2i0b h MET 74 N 0.00 0.61 -0.22 1.61 2.86 -0.63 -2.22 114.93 116.94 2i0b h MET 74 Ca 0.00 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2i0b h MET 74 Cb 0.00 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 2i0b h MET 74 CO 0.00 0.40 0.09 0.28 1.06 0.00 0.00 176.91 178.75 2i0b h VAL 75 N 0.63 1.16 -0.92 -2.22 2.07 -1.51 -2.00 116.25 113.47 2i0b h VAL 75 Ca 0.17 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2i0b h VAL 75 Cb -0.06 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 2i0b h VAL 75 CO -0.04 0.16 0.54 -0.09 0.02 0.00 0.00 177.57 178.17 2i0b h ARG 76 N 0.21 1.26 -0.76 1.57 9.65 -1.08 -0.42 114.38 124.81 2i0b h ARG 76 Ca 0.07 -0.12 0.08 0.00 -1.10 0.00 0.00 59.98 58.91 2i0b h ARG 76 Cb 0.17 -0.26 -0.07 0.00 -1.39 0.00 0.00 29.97 28.42 2i0b h ARG 76 CO -0.01 0.89 0.43 0.93 2.80 0.00 0.00 179.97 185.02 2i0b h GLU 77 N 1.27 0.73 -0.01 0.20 4.39 -1.01 -1.37 114.58 118.78 2i0b h GLU 77 Ca 0.33 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.98 2i0b h GLU 77 Cb -0.03 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.45 2i0b h GLU 77 CO -0.06 0.49 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.20 2i0b h LEU 78 N 0.76 0.03 -0.81 1.33 3.38 -0.60 0.85 115.31 120.25 2i0b h LEU 78 Ca 0.36 -0.44 0.16 0.00 0.09 0.00 0.00 57.88 58.05 2i0b h LEU 78 Cb 0.28 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.92 2i0b h LEU 78 CO -0.22 0.46 0.34 0.40 0.09 0.00 0.00 178.44 179.50 2i0b h ILE 79 N -0.40 0.61 -0.07 1.22 2.04 -0.82 -0.40 117.51 119.69 2i0b h ILE 79 Ca 0.00 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.71 2i0b h ILE 79 Cb 0.45 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2i0b h ILE 79 CO 0.00 0.08 0.00 0.47 0.00 0.00 0.00 178.15 178.70 2i0b n ASP 80 N -5.00 0.85 -2.16 1.72 8.00 -0.54 -4.91 116.55 114.51 2i0b n ASP 80 Ca 0.17 -1.50 -0.19 0.00 0.71 0.00 0.00 54.79 53.97 2i0b n ASP 80 Cb 0.48 -0.04 -0.01 0.00 -0.02 0.00 0.00 41.12 41.52 2i0b n ASP 80 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2i0b n HIS 81 N -0.25 -0.86 0.93 1.24 8.25 -0.16 -4.86 115.22 119.51 2i0b n HIS 81 Ca 0.17 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.75 2i0b n HIS 81 Cb 0.21 -3.73 0.34 0.00 1.12 0.00 0.00 29.99 27.94 2i0b n HIS 81 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2i0b n LYS 82 N -2.83 0.05 -3.99 -0.41 5.02 0.26 -4.84 118.16 111.43 2i0b n LYS 82 Ca -0.23 0.02 -0.09 0.00 -2.02 0.00 0.00 58.31 55.99 2i0b n LYS 82 Cb 0.67 -1.54 -0.11 0.00 -0.02 0.00 0.00 35.03 34.04 2i0b n LYS 82 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i0b s ALA 83 N -3.03 0.14 -0.11 7.82 0.00 -1.10 -4.93 121.76 120.55 2i0b s ALA 83 Ca 0.11 -0.65 0.13 0.00 0.00 0.00 0.00 51.96 51.56 2i0b s ALA 83 Cb 0.17 0.17 -0.24 0.00 0.00 0.00 0.00 23.12 23.22 2i0b s ALA 83 CO 0.65 -0.20 0.41 -0.25 0.00 0.00 0.00 175.76 176.37 2i0b n ASP 84 N 1.33 0.64 -3.94 0.00 8.00 0.15 -4.56 116.55 118.17 2i0b n ASP 84 Ca -0.22 0.24 -0.10 0.00 0.71 0.00 0.00 54.79 55.42 2i0b n ASP 84 Cb 0.56 0.28 -0.11 0.00 -0.02 0.00 0.00 41.12 41.84 2i0b n ASP 84 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2i0b s LEU 85 N -5.92 2.01 -0.25 0.64 1.43 -1.03 -4.19 118.68 111.37 2i0b s LEU 85 Ca -0.08 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2i0b s LEU 85 Cb 0.07 0.28 0.04 0.00 0.03 0.00 0.00 46.19 46.62 2i0b s LEU 85 CO 0.82 -0.32 -0.09 0.00 0.23 0.00 0.00 176.35 176.99 2i0b s ALA 86 N -1.40 2.61 -0.34 4.21 0.00 0.02 -0.28 121.76 126.58 2i0b s ALA 86 Ca -0.15 -1.57 0.04 0.00 0.00 0.00 0.00 51.96 50.27 2i0b s ALA 86 Cb -0.09 -1.61 0.10 0.00 0.00 0.00 0.00 23.12 21.52 2i0b s ALA 86 CO -0.00 -0.94 0.06 0.08 0.00 0.00 0.00 175.76 174.95 2i0b s VAL 87 N 1.23 2.27 0.23 0.00 1.01 -0.84 -1.25 120.40 123.05 2i0b s VAL 87 Ca -0.03 -2.37 -0.21 0.00 0.00 0.00 0.00 61.98 59.37 2i0b s VAL 87 Cb -0.18 -2.68 0.07 0.00 0.00 0.00 0.00 36.38 33.59 2i0b s VAL 87 CO -0.05 -0.61 0.94 0.00 0.00 0.00 0.00 175.10 175.38 2i0b s ALA 88 N 0.88 -1.38 -1.04 5.51 0.00 -1.26 -4.64 121.76 119.84 2i0b s ALA 88 Ca 0.11 -0.34 -0.14 0.00 0.00 0.00 0.00 51.96 51.59 2i0b s ALA 88 Cb -0.19 0.72 -0.08 0.00 0.00 0.00 0.00 23.12 23.57 2i0b s ALA 88 CO -0.08 -1.04 2.16 -0.35 0.00 0.00 0.00 175.76 176.45 2i0b n PRO 89 N -0.60 2.18 -3.32 0.00 -0.04 -1.26 -4.72 135.00 127.24 2i0b n PRO 89 Ca -0.05 -1.89 -0.42 0.00 -0.04 0.00 0.00 63.50 61.10 2i0b n PRO 89 Cb 0.60 -2.82 -0.09 0.00 -0.04 0.00 0.00 33.50 31.15 2i0b n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2i0b s LEU 90 N 0.89 4.61 0.28 1.53 2.96 -1.26 -5.03 118.68 122.65 2i0b s LEU 90 Ca 0.51 -0.39 -0.29 0.00 -0.22 0.00 0.00 54.13 53.74 2i0b s LEU 90 Cb 0.13 -2.43 -0.10 0.00 0.50 0.00 0.00 46.19 44.30 2i0b s LEU 90 CO 0.01 -0.49 1.22 0.00 -1.32 0.00 0.00 176.35 175.77 2i0b s ALA 91 N 2.18 3.46 -0.25 5.97 0.00 -1.26 -2.52 121.76 129.34 2i0b s ALA 91 Ca 0.14 1.07 -0.26 0.00 0.00 0.00 0.00 51.96 52.90 2i0b s ALA 91 Cb -0.16 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2i0b s ALA 91 CO 0.13 -0.41 0.90 0.42 0.00 0.00 0.00 175.76 176.80 2i0b s ILE 92 N -0.84 4.76 0.14 0.00 1.01 0.11 -4.89 121.20 121.48 2i0b s ILE 92 Ca 0.49 1.66 0.01 0.00 0.00 0.00 0.00 60.65 62.81 2i0b s ILE 92 Cb -0.36 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 37.88 2i0b s ILE 92 CO 0.44 -0.15 -0.01 0.42 0.00 0.00 0.00 174.94 175.64 2i0b s THR 93 N 3.01 0.59 0.12 2.92 -4.23 -1.26 -4.53 115.64 112.27 2i0b s THR 93 Ca 0.38 -1.95 -0.19 0.00 -1.18 0.00 0.00 61.69 58.74 2i0b s THR 93 Cb -0.15 -1.95 -0.06 0.00 1.34 0.00 0.00 72.50 71.69 2i0b s THR 93 CO 0.08 -0.62 1.76 0.22 -0.54 0.00 0.00 174.62 175.52 2i0b h TYR 94 N 2.82 0.16 -0.14 3.99 3.20 -1.98 -0.73 116.97 124.28 2i0b h TYR 94 Ca -0.36 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.47 2i0b h TYR 94 Cb 1.19 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 2i0b h TYR 94 CO 0.54 0.09 -0.15 -0.39 -1.64 0.00 0.00 178.16 176.61 2i0b h VAL 95 N 0.20 1.18 -0.03 1.81 -1.51 -2.00 -1.74 116.25 114.16 2i0b h VAL 95 Ca 0.08 -0.82 -0.20 0.00 -1.23 0.00 0.00 66.70 64.53 2i0b h VAL 95 Cb 0.03 1.24 0.01 0.00 -2.13 0.00 0.00 31.29 30.45 2i0b h VAL 95 CO -0.07 0.25 -0.76 0.03 -1.23 0.00 0.00 177.57 175.79 2i0b h ARG 96 N 0.22 0.57 -0.13 5.19 3.08 -1.89 -3.15 114.38 118.28 2i0b h ARG 96 Ca 0.04 -0.57 0.04 0.00 0.07 0.00 0.00 59.98 59.56 2i0b h ARG 96 Cb 0.40 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 2i0b h ARG 96 CO 0.02 1.19 0.12 0.93 -1.07 0.00 0.00 179.97 181.17 2i0b h GLU 97 N 0.18 0.00 0.00 0.04 4.39 -0.90 0.21 114.58 118.49 2i0b h GLU 97 Ca -0.09 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 2i0b h GLU 97 Cb 1.43 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.08 2i0b h GLU 97 CO 0.15 0.00 -0.06 0.93 -1.16 0.00 0.00 179.01 178.87 2i0b h GLU 98 N 0.00 0.00 0.00 2.33 5.08 -1.27 -3.36 114.58 117.36 2i0b h GLU 98 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2i0b h GLU 98 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2i0b h GLU 98 CO -0.00 0.06 -0.88 1.33 -1.00 0.00 0.00 179.01 178.53 2i0b n VAL 99 N -3.27 0.00 -4.37 3.13 0.24 -0.22 -5.07 118.33 108.77 2i0b n VAL 99 Ca -0.01 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.10 2i0b n VAL 99 Cb 0.26 0.29 -0.09 0.00 -1.47 0.00 0.00 33.84 32.83 2i0b n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2i0b s ILE 100 N -1.77 0.51 0.16 1.34 -4.36 0.56 -4.35 121.20 113.30 2i0b s ILE 100 Ca 0.00 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.45 2i0b s ILE 100 Cb 0.00 -2.54 -0.04 0.00 1.25 0.00 0.00 42.46 41.13 2i0b s ILE 100 CO 0.00 0.00 0.03 -1.81 0.24 0.00 0.00 174.94 173.40 2i0b s ASP 101 N -3.41 4.99 0.07 4.36 1.01 -0.03 -4.26 116.67 119.40 2i0b s ASP 101 Ca 0.34 -0.30 0.05 0.00 0.71 0.00 0.00 52.55 53.36 2i0b s ASP 101 Cb 0.06 -1.15 -0.03 0.00 1.01 0.00 0.00 42.92 42.81 2i0b s ASP 101 CO 0.16 0.10 -0.15 -0.36 0.21 0.00 0.00 175.17 175.13 2i0b s PHE 102 N -1.66 1.27 0.93 4.23 0.40 -1.26 -0.71 117.98 121.17 2i0b s PHE 102 Ca 0.28 -0.44 -0.12 0.00 -0.60 0.00 0.00 56.93 56.05 2i0b s PHE 102 Cb -0.10 -0.72 0.15 0.00 0.51 0.00 0.00 43.02 42.86 2i0b s PHE 102 CO 0.20 0.07 1.13 -1.54 0.70 0.00 0.00 175.22 175.77 2i0b s SER 103 N -1.66 3.31 0.79 1.36 1.04 0.14 -4.92 113.70 113.76 2i0b s SER 103 Ca -0.01 0.99 -0.13 0.00 0.48 0.00 0.00 55.95 57.28 2i0b s SER 103 Cb -0.10 -1.57 0.07 0.00 0.10 0.00 0.00 66.02 64.53 2i0b s SER 103 CO 0.02 -2.68 1.19 -0.54 0.98 0.00 0.00 173.24 172.22 2i0b s LYS 104 N -5.23 1.77 0.32 4.02 1.02 -1.26 -4.44 119.74 115.94 2i0b s LYS 104 Ca 0.64 1.70 -0.29 0.00 0.02 0.00 0.00 55.97 58.04 2i0b s LYS 104 Cb -0.15 -1.80 -0.10 0.00 -0.52 0.00 0.00 37.83 35.26 2i0b s LYS 104 CO 0.54 -2.10 1.36 -2.14 -0.92 0.00 0.00 175.35 172.09 2i0b s PRO 105 N -4.17 4.30 0.00 -1.68 0.02 -1.26 -4.58 135.00 127.64 2i0b s PRO 105 Ca 0.72 2.29 0.24 0.00 0.02 0.00 0.00 61.00 64.27 2i0b s PRO 105 Cb -0.27 -3.06 0.27 0.00 0.02 0.00 0.00 34.50 31.46 2i0b s PRO 105 CO 0.50 -0.29 1.25 1.97 -0.33 0.00 0.00 177.00 180.10 2i0b n PHE 106 N 1.05 0.00 -3.61 6.54 1.16 -0.28 -4.94 117.46 117.38 2i0b n PHE 106 Ca 0.01 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.45 2i0b n PHE 106 Cb 0.41 -0.11 -0.07 0.00 -1.61 0.00 0.00 39.48 38.10 2i0b n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 2i0b s MET 107 N -2.80 0.87 0.06 3.97 0.00 -1.25 -5.01 119.30 115.14 2i0b s MET 107 Ca 0.15 0.83 0.08 0.00 0.00 0.00 0.00 55.69 56.75 2i0b s MET 107 Cb 0.18 0.42 -0.03 0.00 0.00 0.00 0.00 34.83 35.39 2i0b s MET 107 CO 0.68 -0.14 -0.21 0.99 0.00 0.00 0.00 175.02 176.34 2i0b s THR 108 N 0.06 2.59 0.07 10.11 2.01 -1.26 -1.24 115.64 127.99 2i0b s THR 108 Ca -0.02 -1.31 -0.04 0.00 0.31 0.00 0.00 61.69 60.62 2i0b s THR 108 Cb -0.04 -2.09 0.02 0.00 0.01 0.00 0.00 72.50 70.40 2i0b s THR 108 CO 0.03 0.30 0.22 0.00 -0.69 0.00 0.00 174.62 174.48 2i0b n LEU 109 N 1.48 0.00 -3.57 4.42 -0.00 0.42 -4.90 117.00 114.84 2i0b n LEU 109 Ca -0.16 -0.51 -0.10 0.00 -0.00 0.00 0.00 56.01 55.24 2i0b n LEU 109 Cb 0.52 0.83 -0.02 0.00 -0.00 0.00 0.00 43.42 44.75 2i0b n LEU 109 CO 0.26 -0.17 0.44 -0.83 -0.00 0.00 0.00 177.39 177.09 2i0b s GLY 110 N -1.87 -0.43 0.25 1.47 0.00 -1.26 -0.39 107.32 105.09 2i0b s GLY 110 Ca 0.05 0.24 -0.30 0.00 0.00 0.00 0.00 44.72 44.72 2i0b s GLY 110 CO 0.02 0.08 1.13 -0.42 0.00 0.00 0.00 173.10 173.92 2i0b s ILE 111 N -3.77 3.50 0.00 0.90 1.01 -1.26 0.37 121.20 121.96 2i0b s ILE 111 Ca 0.05 1.43 0.00 0.00 0.00 0.00 0.00 60.65 62.12 2i0b s ILE 111 Cb -0.03 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.54 2i0b s ILE 111 CO -0.06 0.31 0.00 -0.24 0.00 0.00 0.00 174.94 174.95 2i0b n SER 112 N 1.58 0.00 -4.06 3.58 2.88 0.25 0.21 113.62 118.05 2i0b n SER 112 Ca 0.01 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.29 2i0b n SER 112 Cb 0.45 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.74 2i0b n SER 112 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2i0b s ILE 113 N -1.22 1.29 -0.21 2.46 1.01 -1.25 -1.81 121.20 121.48 2i0b s ILE 113 Ca 0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 59.99 2i0b s ILE 113 Cb 0.00 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 2i0b s ILE 113 CO 0.00 0.39 0.10 -0.22 0.00 0.00 0.00 174.94 175.21 2i0b s LEU 114 N 0.55 3.86 0.00 2.97 2.96 0.16 -0.44 118.68 128.74 2i0b s LEU 114 Ca -0.14 0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 53.77 2i0b s LEU 114 Cb -0.16 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.55 2i0b s LEU 114 CO 0.04 0.10 0.47 0.00 -1.32 0.00 0.00 176.35 175.64 2i0b n TYR 115 N 4.03 -1.51 -2.28 5.38 9.36 -0.56 -0.77 117.16 130.80 2i0b n TYR 115 Ca -0.16 -1.79 -0.32 0.00 3.32 0.00 0.00 57.90 58.96 2i0b n TYR 115 Cb 0.52 0.54 -0.02 0.00 -0.63 0.00 0.00 39.34 39.74 2i0b n TYR 115 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2i0b s ARG 116 N -2.48 3.84 0.78 2.98 0.52 -1.26 -0.73 118.95 122.60 2i0b s ARG 116 Ca 0.20 0.87 -0.11 0.00 -0.52 0.00 0.00 55.73 56.17 2i0b s ARG 116 Cb -0.02 -2.14 0.06 0.00 0.52 0.00 0.00 34.95 33.38 2i0b s ARG 116 CO 0.15 -0.34 1.10 0.15 0.02 0.00 0.00 175.30 176.38 2i0b s LYS 117 N -4.36 2.22 -1.05 3.54 1.02 -0.32 -4.39 119.74 116.41 2i0b s LYS 117 Ca 0.57 0.61 -0.02 0.00 0.02 0.00 0.00 55.97 57.16 2i0b s LYS 117 Cb -0.10 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 2i0b s LYS 117 CO 0.37 -1.52 0.27 0.41 -0.92 0.00 0.00 175.35 173.97 2i0b n GLY 118 N -2.25 -0.12 3.67 -3.33 0.00 -1.26 -5.05 105.19 96.86 2i0b n GLY 118 Ca 0.07 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 2i0b n GLY 118 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2i0b s THR 119 N -2.86 2.21 -0.56 2.61 -4.23 -1.26 -5.04 115.64 106.51 2i0b s THR 119 Ca 0.13 -1.86 0.24 0.00 -1.18 0.00 0.00 61.69 59.02 2i0b s THR 119 Cb -0.06 -2.97 0.25 0.00 1.34 0.00 0.00 72.50 71.06 2i0b s THR 119 CO 0.17 -0.03 1.58 -0.65 -0.54 0.00 0.00 174.62 175.15 2i0b h PRO 120 N 1.62 0.00 -6.44 3.99 0.11 -1.96 -3.46 132.00 125.87 2i0b h PRO 120 Ca -0.43 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.14 2i0b h PRO 120 Cb 1.25 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.39 2i0b h PRO 120 CO 0.74 0.00 1.16 -0.89 -0.21 0.00 0.00 178.00 178.81 2i0b n ILE 121 N -2.60 0.55 -0.18 4.15 2.08 -1.26 -4.87 119.36 117.23 2i0b n ILE 121 Ca 0.04 -0.10 0.00 0.00 0.56 0.00 0.00 62.75 63.25 2i0b n ILE 121 Cb 0.48 -2.20 0.00 0.00 -0.75 0.00 0.00 39.64 37.17 2i0b n ILE 121 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2i0b n ASP 122 N 6.48 0.34 -3.17 4.38 -0.08 -1.26 -4.88 116.55 118.36 2i0b n ASP 122 Ca 0.19 -0.68 -0.06 0.00 -1.51 0.00 0.00 54.79 52.73 2i0b n ASP 122 Cb 0.38 0.31 0.02 0.00 2.34 0.00 0.00 41.12 44.18 2i0b n ASP 122 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2i0b s SER 123 N -0.31 -0.01 0.32 1.67 1.04 -1.26 -2.95 113.70 112.20 2i0b s SER 123 Ca 0.00 -0.90 0.13 0.00 0.48 0.00 0.00 55.95 55.66 2i0b s SER 123 Cb 0.00 0.68 0.52 0.00 0.10 0.00 0.00 66.02 67.31 2i0b s SER 123 CO 0.00 -1.34 1.69 0.00 0.98 0.00 0.00 173.24 174.57 2i0b h ALA 124 N 2.00 1.09 -0.59 5.32 0.00 -1.98 -2.64 119.26 122.46 2i0b h ALA 124 Ca -0.30 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.11 2i0b h ALA 124 Cb 1.23 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2i0b h ALA 124 CO 0.38 0.64 0.19 -0.44 0.00 0.00 0.00 179.25 180.01 2i0b h ASP 125 N 0.00 0.82 -0.60 0.00 5.19 -1.96 0.04 116.42 119.91 2i0b h ASP 125 Ca -0.01 -0.13 -0.06 0.00 -0.62 0.00 0.00 57.03 56.22 2i0b h ASP 125 Cb 0.94 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.21 2i0b h ASP 125 CO 0.07 0.77 0.16 0.44 -3.12 0.00 0.00 179.24 177.56 2i0b h ASP 126 N 0.87 0.90 -0.24 6.45 3.32 -1.87 -2.62 116.42 123.22 2i0b h ASP 126 Ca 0.20 -0.22 -0.15 0.00 0.02 0.00 0.00 57.03 56.87 2i0b h ASP 126 Cb 0.24 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2i0b h ASP 126 CO -0.01 0.89 -0.42 -0.07 -1.72 0.00 0.00 179.24 177.91 2i0b h LEU 127 N 0.87 0.85 -0.48 1.55 3.38 -1.33 -3.17 115.31 116.99 2i0b h LEU 127 Ca 0.19 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.78 2i0b h LEU 127 Cb 0.33 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2i0b h LEU 127 CO -0.00 1.15 0.29 0.00 0.09 0.00 0.00 178.44 179.97 2i0b h ALA 128 N 0.88 0.61 0.00 1.53 0.00 -0.80 -2.95 119.26 118.53 2i0b h ALA 128 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2i0b h ALA 128 Cb 0.98 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2i0b h ALA 128 CO 0.09 -0.02 -0.03 1.57 0.00 0.00 0.00 179.25 180.87 2i0b h LYS 129 N 0.57 0.00 0.00 0.00 2.10 -1.54 -3.46 116.57 114.24 2i0b h LYS 129 Ca 0.19 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.50 2i0b h LYS 129 Cb 0.01 0.00 0.08 0.00 -0.90 0.00 0.00 32.23 31.42 2i0b h LYS 129 CO -0.08 0.00 0.15 0.00 -2.00 0.00 0.00 179.45 177.52 2i0b n GLN 130 N -2.92 -0.21 0.00 0.07 -0.00 -1.12 -5.06 117.38 108.15 2i0b n GLN 130 Ca 0.04 -1.88 0.00 0.00 -0.00 0.00 0.00 57.00 55.16 2i0b n GLN 130 Cb 0.51 -0.63 0.00 0.00 -0.00 0.00 0.00 30.24 30.12 2i0b n GLN 130 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 2i0b n THR 131 N -2.72 0.00 -0.28 -0.39 5.66 -1.26 -4.89 114.28 110.40 2i0b n THR 131 Ca 0.12 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.09 2i0b n THR 131 Cb 0.43 0.00 0.12 0.00 -1.55 0.00 0.00 70.33 69.34 2i0b n THR 131 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 2i0b h LYS 132 N 0.00 1.15 -5.68 1.09 3.64 -1.97 -3.41 116.57 111.40 2i0b h LYS 132 Ca 0.00 -0.15 -0.60 0.00 -1.27 0.00 0.00 60.65 58.62 2i0b h LYS 132 Cb 0.00 -0.22 -0.10 0.00 -0.41 0.00 0.00 32.23 31.50 2i0b h LYS 132 CO 0.00 0.87 0.33 0.42 -2.27 0.00 0.00 179.45 178.79 2i0b s ILE 133 N -5.69 4.87 0.47 2.00 1.01 -1.26 -4.98 121.20 117.61 2i0b s ILE 133 Ca -0.12 1.22 -0.15 0.00 0.00 0.00 0.00 60.65 61.60 2i0b s ILE 133 Cb 0.17 -4.07 -0.08 0.00 0.01 0.00 0.00 42.46 38.49 2i0b s ILE 133 CO 0.82 -0.13 0.91 -1.61 0.00 0.00 0.00 174.94 174.93 2i0b s GLU 134 N 2.78 3.94 0.04 2.79 2.02 -0.80 -4.90 118.70 124.56 2i0b s GLU 134 Ca 0.30 0.83 -0.11 0.00 0.02 0.00 0.00 54.97 56.01 2i0b s GLU 134 Cb -0.15 -2.22 0.01 0.00 0.10 0.00 0.00 34.13 31.87 2i0b s GLU 134 CO 0.10 -0.16 0.25 1.52 0.02 0.00 0.00 175.26 176.99 2i0b s TYR 135 N -2.47 -0.02 0.00 1.61 -0.85 -1.26 -0.81 117.35 113.54 2i0b s TYR 135 Ca 0.57 -0.16 0.00 0.00 -0.52 0.00 0.00 57.07 56.96 2i0b s TYR 135 Cb -0.10 0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.27 2i0b s TYR 135 CO 0.28 -0.47 0.00 0.41 -1.52 0.00 0.00 175.55 174.26 2i0b n GLY 136 N 0.63 1.62 3.67 5.49 0.00 -1.13 -4.70 105.19 110.77 2i0b n GLY 136 Ca -0.19 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 2i0b n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i0b s ALA 137 N -1.00 -0.12 0.11 4.61 0.00 -1.19 -0.80 121.76 123.36 2i0b s ALA 137 Ca 0.00 -1.05 -0.31 0.00 0.00 0.00 0.00 51.96 50.60 2i0b s ALA 137 Cb 0.00 0.89 -0.08 0.00 0.00 0.00 0.00 23.12 23.93 2i0b s ALA 137 CO 0.00 -0.90 1.40 0.08 0.00 0.00 0.00 175.76 176.34 2i0b s VAL 138 N -2.74 3.32 0.29 0.00 1.01 -1.26 -0.92 120.40 120.10 2i0b s VAL 138 Ca 0.22 0.93 -0.29 0.00 0.00 0.00 0.00 61.98 62.83 2i0b s VAL 138 Cb -0.03 -3.59 -0.10 0.00 0.00 0.00 0.00 36.38 32.65 2i0b s VAL 138 CO 0.15 0.06 1.40 -0.70 0.00 0.00 0.00 175.10 176.02 2i0b s GLU 139 N 1.24 4.28 -1.57 2.72 2.12 0.13 -3.14 118.70 124.47 2i0b s GLU 139 Ca 0.65 2.31 -0.04 0.00 0.36 0.00 0.00 54.97 58.24 2i0b s GLU 139 Cb -0.37 -3.08 0.01 0.00 0.26 0.00 0.00 34.13 30.95 2i0b s GLU 139 CO 0.30 -0.36 0.54 -0.25 -0.54 0.00 0.00 175.26 174.95 2i0b n ASP 140 N 1.59 -5.97 -4.82 -1.70 9.92 -1.26 -4.91 116.55 109.39 2i0b n ASP 140 Ca 0.04 -0.26 -0.31 0.00 -0.53 0.00 0.00 54.79 53.73 2i0b n ASP 140 Cb 0.41 -4.85 -0.05 0.00 -0.64 0.00 0.00 41.12 35.99 2i0b n ASP 140 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2i0b s GLY 141 N -2.63 2.80 0.28 0.44 0.00 -1.19 -3.70 107.32 103.31 2i0b s GLY 141 Ca 0.28 -0.64 0.03 0.00 0.00 0.00 0.00 44.72 44.38 2i0b s GLY 141 CO 0.34 -2.11 1.72 0.00 0.00 0.00 0.00 173.10 173.05 2i0b h ALA 142 N 1.10 1.10 -0.33 3.20 0.00 -1.88 -2.25 119.26 120.20 2i0b h ALA 142 Ca -0.41 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.10 2i0b h ALA 142 Cb 1.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2i0b h ALA 142 CO 0.68 0.56 0.04 1.15 0.00 0.00 0.00 179.25 181.67 2i0b h THR 143 N 0.40 1.24 -0.30 0.00 2.02 -1.95 -0.81 112.91 113.51 2i0b h THR 143 Ca 0.06 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 2i0b h THR 143 Cb 0.69 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 2i0b h THR 143 CO 0.05 0.29 0.14 -0.03 0.37 0.00 0.00 175.52 176.34 2i0b h MET 144 N 0.38 0.44 -0.68 6.66 -1.53 -1.72 -2.81 114.93 115.68 2i0b h MET 144 Ca 0.10 -0.07 0.03 0.00 -3.44 0.00 0.00 59.70 56.32 2i0b h MET 144 Cb 0.38 -0.08 -0.04 0.00 -0.55 0.00 0.00 31.60 31.32 2i0b h MET 144 CO 0.01 0.42 0.45 1.15 0.14 0.00 0.00 176.91 179.08 2i0b h THR 145 N 0.35 1.10 -0.08 -0.77 2.02 -1.28 0.28 112.91 114.53 2i0b h THR 145 Ca 0.10 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 67.01 2i0b h THR 145 Cb 0.13 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 2i0b h THR 145 CO -0.01 0.15 0.02 0.15 0.37 0.00 0.00 175.52 176.20 2i0b h PHE 146 N 0.82 0.04 -0.48 3.16 3.57 -0.90 -1.05 116.94 122.11 2i0b h PHE 146 Ca 0.27 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.66 2i0b h PHE 146 Cb 0.05 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 2i0b h PHE 146 CO -0.00 0.02 -0.15 0.74 -2.23 0.00 0.00 178.31 176.69 2i0b h PHE 147 N 0.07 1.04 -0.32 0.41 -1.00 -1.18 0.15 116.94 116.10 2i0b h PHE 147 Ca 0.04 -0.22 0.02 0.00 2.81 0.00 0.00 57.97 60.61 2i0b h PHE 147 Cb 0.02 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.31 2i0b h PHE 147 CO -0.10 1.00 0.21 -0.22 -1.61 0.00 0.00 178.31 177.60 2i0b h LYS 148 N 0.82 0.35 -0.00 1.51 3.64 -0.18 -2.94 116.57 119.76 2i0b h LYS 148 Ca 0.12 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2i0b h LYS 148 Cb 0.70 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2i0b h LYS 148 CO 0.05 0.23 -0.58 1.63 -2.27 0.00 0.00 179.45 178.52 2i0b n LYS 149 N -4.49 1.89 -2.05 1.90 5.02 -0.42 -5.00 118.16 115.01 2i0b n LYS 149 Ca 0.02 -0.29 -0.42 0.00 -2.02 0.00 0.00 58.31 55.61 2i0b n LYS 149 Cb 0.12 -1.23 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 2i0b n LYS 149 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2i0b s SER 150 N -2.23 6.71 -0.07 4.39 0.15 0.02 -4.88 113.70 117.79 2i0b s SER 150 Ca 0.08 2.49 0.18 0.00 0.70 0.00 0.00 55.95 59.40 2i0b s SER 150 Cb 0.12 -2.59 0.63 0.00 -1.71 0.00 0.00 66.02 62.46 2i0b s SER 150 CO 0.54 -0.73 1.52 0.29 1.20 0.00 0.00 173.24 176.07 2i0b n LYS 151 N 3.73 3.12 -2.97 5.44 5.02 -1.26 -4.20 118.16 127.04 2i0b n LYS 151 Ca 0.12 -2.50 -0.41 0.00 -2.02 0.00 0.00 58.31 53.51 2i0b n LYS 151 Cb 0.40 -1.72 -0.05 0.00 -0.02 0.00 0.00 35.03 33.65 2i0b n LYS 151 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2i0b s ILE 152 N -1.57 4.96 0.24 -0.18 1.01 -1.26 -4.92 121.20 119.48 2i0b s ILE 152 Ca 0.45 1.51 -0.14 0.00 0.00 0.00 0.00 60.65 62.47 2i0b s ILE 152 Cb 0.27 -4.08 0.30 0.00 0.01 0.00 0.00 42.46 38.96 2i0b s ILE 152 CO 0.25 0.12 1.58 0.77 0.00 0.00 0.00 174.94 177.66 2i0b h SER 153 N 7.15 -1.04 -0.20 3.58 4.64 -1.98 0.37 113.55 126.08 2i0b h SER 153 Ca -0.34 0.27 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2i0b h SER 153 Cb 1.16 0.60 -0.01 0.00 -0.31 0.00 0.00 62.40 63.84 2i0b h SER 153 CO 0.79 -0.29 0.11 0.74 -0.87 0.00 0.00 176.83 177.31 2i0b h THR 154 N -0.03 1.11 -0.28 2.95 2.02 -1.98 0.25 112.91 116.94 2i0b h THR 154 Ca 0.37 -0.30 -0.13 0.00 0.77 0.00 0.00 66.41 67.11 2i0b h THR 154 Cb 0.61 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 2i0b h THR 154 CO -0.88 0.11 -0.37 1.88 0.37 0.00 0.00 175.52 176.62 2i0b h TYR 155 N 0.21 0.75 -0.41 3.16 0.99 -1.59 -0.30 116.97 119.79 2i0b h TYR 155 Ca 0.07 -0.21 -0.10 0.00 2.00 0.00 0.00 58.73 60.49 2i0b h TYR 155 Cb 0.07 -0.16 -0.02 0.00 1.00 0.00 0.00 36.73 37.62 2i0b h TYR 155 CO -0.04 0.92 -0.14 0.22 -0.00 0.00 0.00 178.16 179.12 2i0b h ASP 156 N 0.53 0.75 -0.23 3.88 3.58 -0.20 0.77 116.42 125.50 2i0b h ASP 156 Ca 0.05 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.25 2i0b h ASP 156 Cb 0.88 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 2i0b h ASP 156 CO 0.08 0.91 0.08 0.50 -2.88 0.00 0.00 179.24 177.92 2i0b h LYS 157 N 0.68 0.36 -0.58 0.28 3.64 -0.53 -1.37 116.57 119.05 2i0b h LYS 157 Ca 0.11 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2i0b h LYS 157 Cb 0.62 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 2i0b h LYS 157 CO 0.04 0.43 0.35 0.52 -2.27 0.00 0.00 179.45 178.52 2i0b h MET 158 N 0.21 0.79 -0.16 1.90 2.86 -0.72 -2.55 114.93 117.25 2i0b h MET 158 Ca 0.08 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2i0b h MET 158 Cb 0.22 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2i0b h MET 158 CO -0.00 0.55 0.03 2.35 1.06 0.00 0.00 176.91 180.90 2i0b h TRP 159 N 0.80 0.29 -0.89 -0.22 2.91 -0.43 -1.30 115.95 117.11 2i0b h TRP 159 Ca 0.21 -0.04 0.17 0.00 1.13 0.00 0.00 58.89 60.36 2i0b h TRP 159 Cb -0.03 -0.08 -0.07 0.00 -0.51 0.00 0.00 29.16 28.47 2i0b h TRP 159 CO 0.00 0.43 0.58 0.00 -1.03 0.00 0.00 178.44 178.43 2i0b h ALA 160 N 0.82 2.00 0.45 2.65 0.00 -0.99 0.33 119.26 124.51 2i0b h ALA 160 Ca 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2i0b h ALA 160 Cb 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2i0b h ALA 160 CO 0.00 -0.27 -0.22 0.35 0.00 0.00 0.00 179.25 179.12 2i0b h PHE 161 N 0.55 -0.56 -0.82 0.00 3.57 -1.13 -2.75 116.94 115.80 2i0b h PHE 161 Ca 0.46 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 62.11 2i0b h PHE 161 Cb 0.93 0.19 -0.10 0.00 2.79 0.00 0.00 35.95 39.76 2i0b h PHE 161 CO -0.00 -0.30 0.36 0.52 -2.23 0.00 0.00 178.31 176.66 2i0b h MET 162 N -1.12 0.47 -0.07 1.11 2.86 -0.80 -1.16 114.93 116.23 2i0b h MET 162 Ca -0.06 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 2i0b h MET 162 Cb 0.51 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 2i0b h MET 162 CO 0.10 0.31 -0.22 1.03 1.06 0.00 0.00 176.91 179.19 2i0b h SER 163 N 0.48 0.11 1.45 1.22 0.87 -0.43 0.14 113.55 117.39 2i0b h SER 163 Ca 0.47 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 2i0b h SER 163 Cb 0.75 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 2i0b h SER 163 CO -0.43 0.34 -0.44 0.77 -0.53 0.00 0.00 176.83 176.55 2i0b h SER 164 N 0.11 0.00 -0.07 6.23 4.64 -0.92 -3.28 113.55 120.26 2i0b h SER 164 Ca 0.02 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2i0b h SER 164 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2i0b h SER 164 CO 0.03 0.01 0.00 0.54 -0.87 0.00 0.00 176.83 176.55 2i0b n ARG 165 N -2.74 1.80 -0.24 4.77 1.74 -0.79 -4.88 116.66 116.31 2i0b n ARG 165 Ca 0.03 -2.57 0.03 0.00 -0.77 0.00 0.00 57.85 54.57 2i0b n ARG 165 Cb 0.52 -1.55 0.08 0.00 -1.02 0.00 0.00 32.46 30.49 2i0b n ARG 165 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2i0b n ARG 166 N -1.13 -0.08 0.23 5.56 0.63 0.44 -0.20 116.66 122.12 2i0b n ARG 166 Ca 0.16 1.04 0.07 0.00 -0.92 0.00 0.00 57.85 58.20 2i0b n ARG 166 Cb 0.67 -1.55 0.53 0.00 0.45 0.00 0.00 32.46 32.56 2i0b n ARG 166 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2i0b h GLN 167 N 0.00 0.00 0.01 -0.14 7.50 -1.87 -2.00 115.11 118.61 2i0b h GLN 167 Ca 0.30 0.00 -0.36 0.00 0.50 0.00 0.00 58.65 59.09 2i0b h GLN 167 Cb 0.47 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 27.94 2i0b h GLN 167 CO -0.69 0.21 -2.26 0.43 -1.50 0.00 0.00 178.83 175.02 2i0b n SER 168 N -4.09 0.68 -0.01 1.46 7.64 0.73 -4.68 113.62 115.35 2i0b n SER 168 Ca -0.02 0.06 0.10 0.00 1.01 0.00 0.00 58.87 60.02 2i0b n SER 168 Cb 0.28 0.41 -0.15 0.00 -1.01 0.00 0.00 64.21 63.75 2i0b n SER 168 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2i0b n VAL 169 N -2.95 0.00 -3.45 0.44 0.24 -0.36 -4.89 118.33 107.36 2i0b n VAL 169 Ca -0.33 -0.39 -0.37 0.00 -2.04 0.00 0.00 64.34 61.21 2i0b n VAL 169 Cb 1.10 0.19 -0.06 0.00 -1.47 0.00 0.00 33.84 33.59 2i0b n VAL 169 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2i0b s LEU 170 N -4.15 4.33 0.40 1.34 1.43 -0.75 -3.18 118.68 118.09 2i0b s LEU 170 Ca -0.05 0.76 0.08 0.00 -1.03 0.00 0.00 54.13 53.88 2i0b s LEU 170 Cb 0.13 -2.55 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 2i0b s LEU 170 CO 0.81 0.13 0.19 0.68 0.23 0.00 0.00 176.35 178.39 2i0b s VAL 171 N 0.06 2.50 -0.16 -1.59 -7.23 -0.10 -4.77 120.40 109.11 2i0b s VAL 171 Ca 0.22 -1.66 0.17 0.00 -1.81 0.00 0.00 61.98 58.90 2i0b s VAL 171 Cb -0.15 -2.99 0.12 0.00 0.56 0.00 0.00 36.38 33.93 2i0b s VAL 171 CO 0.09 -0.04 1.52 0.50 -0.31 0.00 0.00 175.10 176.85 2i0b h LYS 172 N 1.41 0.00 -2.55 4.82 3.11 -1.92 0.36 116.57 121.80 2i0b h LYS 172 Ca -0.43 0.00 0.11 0.00 -2.81 0.00 0.00 60.65 57.53 2i0b h LYS 172 Cb 1.25 0.00 -0.10 0.00 -1.00 0.00 0.00 32.23 32.39 2i0b h LYS 172 CO 0.67 0.40 0.40 -1.54 -2.81 0.00 0.00 179.45 176.57 2i0b s SER 173 N -6.40 -0.29 0.18 4.20 1.04 -1.26 -4.80 113.70 106.38 2i0b s SER 173 Ca 0.04 -0.30 -0.12 0.00 0.48 0.00 0.00 55.95 56.04 2i0b s SER 173 Cb 0.08 0.53 0.16 0.00 0.10 0.00 0.00 66.02 66.88 2i0b s SER 173 CO 0.72 -0.94 1.78 0.78 0.98 0.00 0.00 173.24 176.57 2i0b h ASN 174 N 2.00 0.37 -0.91 7.02 2.35 -1.97 -0.38 115.58 124.06 2i0b h ASN 174 Ca -0.24 0.03 0.09 0.00 -0.55 0.00 0.00 56.30 55.63 2i0b h ASN 174 Cb 1.25 -0.04 -0.07 0.00 0.05 0.00 0.00 38.32 39.51 2i0b h ASN 174 CO 0.28 0.26 0.56 -0.33 -1.65 0.00 0.00 177.43 176.55 2i0b h GLU 175 N 0.51 0.94 -0.24 0.81 3.07 -1.98 0.47 114.58 118.16 2i0b h GLU 175 Ca 0.24 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 58.91 2i0b h GLU 175 Cb 0.15 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 2i0b h GLU 175 CO -0.17 0.62 -0.40 1.49 -1.40 0.00 0.00 179.01 179.15 2i0b h GLU 176 N 0.97 0.56 -0.35 2.33 4.81 -1.77 -2.38 114.58 118.74 2i0b h GLU 176 Ca 0.42 -0.28 -0.12 0.00 -0.13 0.00 0.00 59.36 59.25 2i0b h GLU 176 Cb 0.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2i0b h GLU 176 CO -0.22 0.87 -0.27 0.78 -0.73 0.00 0.00 179.01 179.44 2i0b h GLY 177 N 1.05 0.79 0.96 1.92 0.00 0.70 -1.82 103.07 106.67 2i0b h GLY 177 Ca 0.04 -0.71 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 2i0b h GLY 177 CO 0.08 0.64 0.16 -2.22 0.00 0.00 0.00 176.54 175.20 2i0b h ILE 178 N 0.63 1.21 -0.73 2.60 2.04 -0.02 -1.47 117.51 121.77 2i0b h ILE 178 Ca 0.08 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 2i0b h ILE 178 Cb 0.78 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 2i0b h ILE 178 CO 0.06 0.25 0.25 1.56 0.00 0.00 0.00 178.15 180.28 2i0b h GLN 179 N 0.59 1.13 -0.32 2.37 1.08 -1.32 -1.50 115.11 117.14 2i0b h GLN 179 Ca 0.15 -0.23 0.04 0.00 -1.45 0.00 0.00 58.65 57.16 2i0b h GLN 179 Cb 0.22 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.45 2i0b h GLN 179 CO -0.01 0.95 0.09 -0.09 -0.95 0.00 0.00 178.83 178.82 2i0b h ARG 180 N 1.08 0.21 -0.43 1.46 9.65 -1.04 0.67 114.38 125.97 2i0b h ARG 180 Ca 0.24 -0.01 0.06 0.00 -1.10 0.00 0.00 59.98 59.17 2i0b h ARG 180 Cb 0.27 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.75 2i0b h ARG 180 CO -0.01 0.14 0.13 0.28 2.80 0.00 0.00 179.97 183.31 2i0b h VAL 181 N 0.21 0.83 0.00 0.20 2.07 -0.86 -0.85 116.25 117.86 2i0b h VAL 181 Ca 0.14 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 2i0b h VAL 181 Cb 0.13 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2i0b h VAL 181 CO -0.17 0.05 -0.08 -0.07 0.02 0.00 0.00 177.57 177.32 2i0b h LEU 182 N 0.28 0.00 -2.19 2.57 3.38 -0.49 -3.26 115.31 115.60 2i0b h LEU 182 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2i0b h LEU 182 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2i0b h LEU 182 CO -0.23 0.08 0.00 0.35 0.09 0.00 0.00 178.44 178.73 2i0b n THR 183 N -3.24 0.58 -3.82 0.22 -2.24 0.15 -5.05 114.28 100.88 2i0b n THR 183 Ca -0.00 -0.79 -0.09 0.00 -2.27 0.00 0.00 64.05 60.90 2i0b n THR 183 Cb 0.32 0.73 -0.04 0.00 -2.10 0.00 0.00 70.33 69.24 2i0b n THR 183 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2i0b s SER 184 N -0.67 -0.23 -1.13 3.42 1.04 -0.36 -5.04 113.70 110.74 2i0b s SER 184 Ca 0.04 -0.61 -0.21 0.00 0.48 0.00 0.00 55.95 55.65 2i0b s SER 184 Cb 0.02 0.62 0.05 0.00 0.10 0.00 0.00 66.02 66.82 2i0b s SER 184 CO 0.03 -1.15 1.59 -0.62 0.98 0.00 0.00 173.24 174.07 2i0b s ASP 185 N -2.92 6.54 -0.06 7.02 3.68 -1.26 -4.60 116.67 125.08 2i0b s ASP 185 Ca 0.13 -1.80 -0.07 0.00 2.13 0.00 0.00 52.55 52.93 2i0b s ASP 185 Cb -0.02 -2.57 0.02 0.00 -1.45 0.00 0.00 42.92 38.89 2i0b s ASP 185 CO 0.02 -1.47 0.19 -0.47 0.13 0.00 0.00 175.17 173.57 2i0b s TYR 186 N 5.04 -0.17 -0.09 -5.34 5.04 -1.26 -1.91 117.35 118.66 2i0b s TYR 186 Ca 0.50 0.41 0.03 0.00 -2.44 0.00 0.00 57.07 55.57 2i0b s TYR 186 Cb 0.01 0.05 -0.01 0.00 0.35 0.00 0.00 41.96 42.36 2i0b s TYR 186 CO -0.02 -0.14 -0.18 0.00 -1.34 0.00 0.00 175.55 173.87 2i0b s ALA 187 N -0.15 2.44 -0.19 3.97 0.00 0.01 -4.56 121.76 123.28 2i0b s ALA 187 Ca -0.02 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.92 2i0b s ALA 187 Cb -0.02 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 2i0b s ALA 187 CO 0.01 0.35 0.01 0.12 0.00 0.00 0.00 175.76 176.25 2i0b s PHE 188 N 0.03 3.09 -0.36 0.00 5.36 0.05 -2.85 117.98 123.30 2i0b s PHE 188 Ca -0.07 -0.27 -0.27 0.00 -0.96 0.00 0.00 56.93 55.36 2i0b s PHE 188 Cb -0.15 -2.05 0.02 0.00 -0.34 0.00 0.00 43.02 40.49 2i0b s PHE 188 CO 0.05 -0.09 0.96 -0.51 -1.46 0.00 0.00 175.22 174.17 2i0b s LEU 189 N 0.69 3.96 0.29 6.12 2.01 0.02 0.39 118.68 132.17 2i0b s LEU 189 Ca 0.00 0.66 -0.07 0.00 0.01 0.00 0.00 54.13 54.73 2i0b s LEU 189 Cb -0.14 -3.32 -0.00 0.00 0.01 0.00 0.00 46.19 42.73 2i0b s LEU 189 CO 0.02 -0.88 0.45 0.00 1.01 0.00 0.00 176.35 176.96 2i0b s MET 190 N 3.55 1.69 0.22 1.70 0.23 -0.75 -4.53 119.30 121.41 2i0b s MET 190 Ca 0.40 -1.51 -0.30 0.00 -1.03 0.00 0.00 55.69 53.25 2i0b s MET 190 Cb -0.12 0.44 -0.08 0.00 -1.53 0.00 0.00 34.83 33.54 2i0b s MET 190 CO 0.19 -0.69 1.11 -1.21 -2.03 0.00 0.00 175.02 172.38 2i0b s GLU 191 N -3.56 4.61 0.36 3.16 2.02 -1.26 -0.59 118.70 123.44 2i0b s GLU 191 Ca 0.27 1.77 0.07 0.00 0.02 0.00 0.00 54.97 57.10 2i0b s GLU 191 Cb 0.00 -3.24 0.78 0.00 0.10 0.00 0.00 34.13 31.78 2i0b s GLU 191 CO 0.14 0.12 1.93 0.66 0.02 0.00 0.00 175.26 178.13 2i0b h SER 192 N 4.58 0.64 0.57 -0.19 4.64 -0.40 -1.28 113.55 122.11 2i0b h SER 192 Ca -0.45 0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 60.79 2i0b h SER 192 Cb 1.21 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 2i0b h SER 192 CO 0.70 0.39 -0.44 0.71 -0.87 0.00 0.00 176.83 177.32 2i0b h THR 193 N 0.72 1.19 0.13 2.95 1.35 -1.91 -0.02 112.91 117.32 2i0b h THR 193 Ca 0.35 -1.57 -0.27 0.00 -0.55 0.00 0.00 66.41 64.37 2i0b h THR 193 Cb 0.43 1.88 0.01 0.00 -1.73 0.00 0.00 68.15 68.73 2i0b h THR 193 CO -0.13 0.43 -1.24 0.74 -0.25 0.00 0.00 175.52 175.07 2i0b h THR 194 N 0.00 1.49 -0.55 6.82 2.02 -1.72 -2.85 112.91 118.11 2i0b h THR 194 Ca -0.00 -3.02 -0.02 0.00 0.77 0.00 0.00 66.41 64.14 2i0b h THR 194 Cb 0.84 2.92 -0.03 0.00 -1.74 0.00 0.00 68.15 70.15 2i0b h THR 194 CO 0.06 0.88 0.27 0.40 0.37 0.00 0.00 175.52 177.50 2i0b h ILE 195 N 0.09 1.20 -0.81 3.11 2.04 -0.89 -0.56 117.51 121.69 2i0b h ILE 195 Ca -0.14 -0.57 0.14 0.00 1.00 0.00 0.00 64.86 65.29 2i0b h ILE 195 Cb 1.96 0.56 -0.09 0.00 -0.74 0.00 0.00 36.82 38.51 2i0b h ILE 195 CO 0.21 0.23 0.40 -0.08 0.00 0.00 0.00 178.15 178.90 2i0b h GLU 196 N 0.74 0.57 -0.13 2.37 4.81 -1.04 0.22 114.58 122.14 2i0b h GLU 196 Ca 0.19 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2i0b h GLU 196 Cb 0.12 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 2i0b h GLU 196 CO -0.02 0.38 -0.04 0.35 -0.73 0.00 0.00 179.01 178.94 2i0b h PHE 197 N 0.59 0.28 -0.16 0.92 3.57 -1.01 -3.06 116.94 118.07 2i0b h PHE 197 Ca 0.43 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 2i0b h PHE 197 Cb 0.60 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 2i0b h PHE 197 CO -0.11 0.56 0.06 0.28 -2.23 0.00 0.00 178.31 176.87 2i0b h VAL 198 N -0.08 1.16 0.00 1.41 2.07 -0.72 -3.10 116.25 117.00 2i0b h VAL 198 Ca 0.03 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 2i0b h VAL 198 Cb 0.48 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2i0b h VAL 198 CO 0.01 0.15 -0.01 0.71 0.02 0.00 0.00 177.57 178.46 2i0b h THR 199 N 0.10 0.02 -0.01 2.57 1.35 -0.64 0.12 112.91 116.41 2i0b h THR 199 Ca 0.05 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2i0b h THR 199 Cb 0.18 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 2i0b h THR 199 CO -0.00 0.01 -0.03 1.67 -0.25 0.00 0.00 175.52 176.91 2i0b n GLN 200 N -3.10 1.21 0.00 4.72 -0.06 -1.16 -3.84 117.38 115.16 2i0b n GLN 200 Ca -0.00 -0.48 0.00 0.00 -2.00 0.00 0.00 57.00 54.52 2i0b n GLN 200 Cb 0.26 -1.49 0.00 0.00 -4.06 0.00 0.00 30.24 24.95 2i0b n GLN 200 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2i0b n ARG 201 N -0.48 1.71 -3.90 3.69 1.74 -0.09 -4.22 116.66 115.12 2i0b n ARG 201 Ca 0.19 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.97 2i0b n ARG 201 Cb 0.26 -0.84 -0.15 0.00 -1.02 0.00 0.00 32.46 30.70 2i0b n ARG 201 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2i0b s ASN 202 N -1.48 4.31 0.00 0.55 0.01 0.22 -4.99 114.94 113.56 2i0b s ASN 202 Ca 0.00 -1.76 0.16 0.00 -0.71 0.00 0.00 52.86 50.55 2i0b s ASN 202 Cb 0.00 -1.27 0.78 0.00 0.41 0.00 0.00 41.25 41.18 2i0b s ASN 202 CO 0.00 -0.36 1.46 0.00 -1.51 0.00 0.00 177.10 176.69 2i0b h ASN 204 N 0.00 0.00 -2.79 0.00 2.35 -1.94 -3.47 115.58 109.73 2i0b h ASN 204 Ca 0.00 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.28 2i0b h ASN 204 Cb 0.17 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.55 2i0b h ASN 204 CO 0.00 0.27 -0.15 -0.76 -1.65 0.00 0.00 177.43 175.14 2i0b s LEU 205 N -6.35 3.89 -0.00 1.61 1.02 -0.68 -1.17 118.68 116.99 2i0b s LEU 205 Ca 0.05 0.41 -0.28 0.00 0.02 0.00 0.00 54.13 54.33 2i0b s LEU 205 Cb 0.06 -3.28 0.09 0.00 0.02 0.00 0.00 46.19 43.08 2i0b s LEU 205 CO 0.71 -0.43 0.76 0.28 0.02 0.00 0.00 176.35 177.69 2i0b s THR 206 N -2.40 0.00 0.13 5.49 -1.32 0.09 -4.72 115.64 112.90 2i0b s THR 206 Ca 0.43 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.61 2i0b s THR 206 Cb -0.10 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.83 2i0b s THR 206 CO 0.37 0.00 0.96 -1.58 -2.21 0.00 0.00 174.62 172.16 2i0b s GLN 207 N -2.31 4.71 -0.19 7.08 0.74 -1.26 -1.50 119.66 126.93 2i0b s GLN 207 Ca -0.02 1.46 -0.06 0.00 0.05 0.00 0.00 55.36 56.78 2i0b s GLN 207 Cb -0.01 -3.37 -0.03 0.00 1.10 0.00 0.00 33.01 30.71 2i0b s GLN 207 CO -0.02 0.24 0.04 0.42 -0.55 0.00 0.00 175.29 175.42 2i0b s ILE 208 N -0.13 4.40 0.00 -2.34 -1.09 0.42 -4.94 121.20 117.51 2i0b s ILE 208 Ca 0.46 -0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.72 2i0b s ILE 208 Cb -0.24 -2.99 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 2i0b s ILE 208 CO 0.30 0.44 0.00 0.61 -1.23 0.00 0.00 174.94 175.06 2i0b n GLY 209 N 3.92 -0.49 0.00 6.18 0.00 -1.15 -3.85 105.19 109.79 2i0b n GLY 209 Ca -0.17 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.79 2i0b n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i0b n GLY 210 N 0.00 2.82 3.72 -0.02 0.00 -1.26 -4.90 105.19 105.55 2i0b n GLY 210 Ca 0.00 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 2i0b n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i0b s LEU 211 N 0.00 4.37 0.14 0.99 1.02 -1.26 -4.59 118.68 119.34 2i0b s LEU 211 Ca 0.00 1.49 0.07 0.00 0.02 0.00 0.00 54.13 55.71 2i0b s LEU 211 Cb 0.00 -3.37 -0.14 0.00 0.02 0.00 0.00 46.19 42.70 2i0b s LEU 211 CO 0.00 -0.18 1.32 0.40 0.02 0.00 0.00 176.35 177.91 2i0b h ILE 212 N 4.68 1.67 -1.75 -0.59 2.04 -0.57 -3.48 117.51 119.51 2i0b h ILE 212 Ca -0.41 -3.23 0.00 0.00 1.00 0.00 0.00 64.86 62.21 2i0b h ILE 212 Cb 1.21 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 40.05 2i0b h ILE 212 CO 0.75 0.92 0.00 -0.90 0.00 0.00 0.00 178.15 178.92 2i0b n ASP 213 N -3.42 0.00 -3.76 1.72 5.75 -1.26 -4.94 116.55 110.64 2i0b n ASP 213 Ca -0.01 -0.75 -0.14 0.00 -0.01 0.00 0.00 54.79 53.89 2i0b n ASP 213 Cb 0.90 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.84 2i0b n ASP 213 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2i0b s SER 214 N -0.37 -0.07 0.28 -1.12 0.15 -1.26 -4.10 113.70 107.21 2i0b s SER 214 Ca 0.00 0.23 -0.12 0.00 0.70 0.00 0.00 55.95 56.76 2i0b s SER 214 Cb 0.00 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 2i0b s SER 214 CO 0.00 -0.13 0.52 -1.59 1.20 0.00 0.00 173.24 173.24 2i0b s LYS 215 N 1.03 1.68 0.25 5.44 -2.85 0.47 -4.98 119.74 120.80 2i0b s LYS 215 Ca -0.08 -1.33 0.10 0.00 -1.00 0.00 0.00 55.97 53.66 2i0b s LYS 215 Cb -0.11 0.49 -0.05 0.00 -2.06 0.00 0.00 37.83 36.10 2i0b s LYS 215 CO -0.05 -0.72 -0.17 0.20 0.10 0.00 0.00 175.35 174.71 2i0b s GLY 216 N -3.05 1.73 -0.12 0.59 0.00 -1.26 -0.44 107.32 104.78 2i0b s GLY 216 Ca 0.22 -1.81 -0.09 0.00 0.00 0.00 0.00 44.72 43.05 2i0b s GLY 216 CO 0.11 -1.89 0.18 -0.19 0.00 0.00 0.00 173.10 171.30 2i0b s TYR 217 N -2.69 3.58 0.17 1.90 4.12 -0.37 -0.72 117.35 123.34 2i0b s TYR 217 Ca 0.27 0.56 0.02 0.00 0.02 0.00 0.00 57.07 57.94 2i0b s TYR 217 Cb -0.03 -2.03 -0.05 0.00 -1.52 0.00 0.00 41.96 38.33 2i0b s TYR 217 CO 0.12 0.64 0.00 0.20 0.02 0.00 0.00 175.55 176.53 2i0b s GLY 218 N -0.76 1.19 0.05 0.71 0.00 -1.05 -1.13 107.32 106.33 2i0b s GLY 218 Ca 0.15 -1.57 -0.30 0.00 0.00 0.00 0.00 44.72 42.99 2i0b s GLY 218 CO 0.04 -1.52 1.06 0.14 0.00 0.00 0.00 173.10 172.82 2i0b s VAL 219 N -3.68 4.47 0.14 1.40 1.01 -1.26 -4.57 120.40 117.91 2i0b s VAL 219 Ca 0.23 1.84 -0.06 0.00 0.00 0.00 0.00 61.98 63.99 2i0b s VAL 219 Cb 0.06 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.21 2i0b s VAL 219 CO 0.03 0.18 0.39 -0.83 0.00 0.00 0.00 175.10 174.87 2i0b s GLY 220 N 0.78 2.25 0.08 4.51 0.00 -0.38 -0.69 107.32 113.87 2i0b s GLY 220 Ca 0.53 -0.52 -0.04 0.00 0.00 0.00 0.00 44.72 44.70 2i0b s GLY 220 CO 0.29 -0.42 0.06 -0.51 0.00 0.00 0.00 173.10 172.53 2i0b s THR 221 N -1.63 0.17 0.69 0.90 -4.23 0.11 -0.80 115.64 110.85 2i0b s THR 221 Ca 0.40 -1.63 -0.16 0.00 -1.18 0.00 0.00 61.69 59.12 2i0b s THR 221 Cb -0.12 -1.57 0.01 0.00 1.34 0.00 0.00 72.50 72.16 2i0b s THR 221 CO 0.23 -0.78 1.22 -2.84 -0.54 0.00 0.00 174.62 171.92 2i0b s PRO 222 N -3.93 2.39 0.29 3.99 0.02 -1.26 -0.85 135.00 135.65 2i0b s PRO 222 Ca 0.10 1.82 -0.30 0.00 0.02 0.00 0.00 61.00 62.64 2i0b s PRO 222 Cb 0.07 -1.86 -0.12 0.00 0.02 0.00 0.00 34.50 32.61 2i0b s PRO 222 CO -0.08 -1.66 1.42 -1.33 -0.33 0.00 0.00 177.00 175.03 2i0b n MET 223 N -2.35 2.27 -0.44 5.54 2.81 -1.26 -1.72 117.12 121.97 2i0b n MET 223 Ca 0.14 0.80 0.00 0.00 -1.81 0.00 0.00 57.70 56.83 2i0b n MET 223 Cb 0.50 -2.47 0.00 0.00 -0.71 0.00 0.00 33.22 30.53 2i0b n MET 223 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2i0b n GLY 224 N 1.63 1.61 3.77 3.03 0.00 -1.26 -4.97 105.19 109.00 2i0b n GLY 224 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2i0b n GLY 224 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2i0b s SER 225 N -3.29 6.39 0.48 1.61 0.15 -0.70 -4.89 113.70 113.45 2i0b s SER 225 Ca 0.00 2.99 0.31 0.00 0.70 0.00 0.00 55.95 59.95 2i0b s SER 225 Cb 0.00 -2.66 1.18 0.00 -1.71 0.00 0.00 66.02 62.83 2i0b s SER 225 CO 0.00 -0.86 1.89 1.55 1.20 0.00 0.00 173.24 177.03 2i0b h PRO 226 N 3.52 0.00 0.00 5.44 0.13 -1.95 -3.04 132.00 136.10 2i0b h PRO 226 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2i0b h PRO 226 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2i0b h PRO 226 CO 0.68 0.00 -0.04 1.88 -0.23 0.00 0.00 178.00 180.29 2i0b h TYR 227 N 0.00 0.00 0.24 1.56 -1.99 -1.97 -3.26 116.97 111.56 2i0b h TYR 227 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2i0b h TYR 227 Cb 0.54 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.25 2i0b h TYR 227 CO 0.00 0.04 -0.25 -0.09 -0.00 0.00 0.00 178.16 177.86 2i0b h ARG 228 N 0.00 -0.51 -0.27 4.88 1.12 -1.92 0.17 114.38 117.85 2i0b h ARG 228 Ca -0.00 0.03 -0.13 0.00 -1.11 0.00 0.00 59.98 58.77 2i0b h ARG 228 Cb 0.47 0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 30.54 2i0b h ARG 228 CO 0.00 -0.34 -0.38 -0.44 -3.11 0.00 0.00 179.97 175.71 2i0b h ASP 229 N -0.53 0.65 -0.57 -3.80 3.32 -1.80 -1.27 116.42 112.41 2i0b h ASP 229 Ca -0.00 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 56.73 2i0b h ASP 229 Cb 0.49 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 2i0b h ASP 229 CO -0.06 0.96 0.21 0.11 -1.72 0.00 0.00 179.24 178.74 2i0b h LYS 230 N 0.51 0.87 -0.55 3.56 1.57 -1.55 -1.75 116.57 119.23 2i0b h LYS 230 Ca 0.05 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 2i0b h LYS 230 Cb 0.88 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 2i0b h LYS 230 CO 0.08 0.76 -0.02 0.82 -0.57 0.00 0.00 179.45 180.51 2i0b h ILE 231 N 0.79 1.26 -0.41 1.86 2.04 -0.53 -0.65 117.51 121.87 2i0b h ILE 231 Ca 0.19 -1.13 0.05 0.00 1.00 0.00 0.00 64.86 64.96 2i0b h ILE 231 Cb 0.23 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2i0b h ILE 231 CO -0.01 0.40 0.16 0.74 0.00 0.00 0.00 178.15 179.44 2i0b h THR 232 N 0.88 0.90 -0.58 -0.27 2.02 -0.96 0.64 112.91 115.54 2i0b h THR 232 Ca 0.16 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 2i0b h THR 232 Cb 0.55 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2i0b h THR 232 CO 0.03 0.06 0.14 -0.07 0.37 0.00 0.00 175.52 176.06 2i0b h LEU 233 N 0.34 0.87 -0.77 2.58 3.38 -1.02 0.29 115.31 120.98 2i0b h LEU 233 Ca 0.19 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2i0b h LEU 233 Cb 0.16 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 2i0b h LEU 233 CO -0.18 0.88 0.47 0.00 0.09 0.00 0.00 178.44 179.69 2i0b h ALA 234 N 1.03 0.98 -0.27 1.53 0.00 -0.72 -0.61 119.26 121.21 2i0b h ALA 234 Ca 0.18 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2i0b h ALA 234 Cb 0.34 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2i0b h ALA 234 CO 0.00 0.45 0.06 0.82 0.00 0.00 0.00 179.25 180.58 2i0b h ILE 235 N 1.06 1.22 -0.58 0.00 2.04 -0.56 -0.26 117.51 120.42 2i0b h ILE 235 Ca 0.28 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.43 2i0b h ILE 235 Cb -0.04 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 2i0b h ILE 235 CO -0.05 0.24 0.38 -0.07 0.00 0.00 0.00 178.15 178.65 2i0b h LEU 236 N 0.27 0.63 -0.15 1.44 3.38 -0.68 0.26 115.31 120.46 2i0b h LEU 236 Ca 0.08 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2i0b h LEU 236 Cb 0.30 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2i0b h LEU 236 CO 0.00 0.44 -0.03 0.50 0.09 0.00 0.00 178.44 179.44 2i0b h LYS 237 N 0.73 0.29 -0.89 1.13 3.64 -0.72 -0.39 116.57 120.36 2i0b h LYS 237 Ca 0.22 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 2i0b h LYS 237 Cb -0.01 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 2i0b h LYS 237 CO -0.05 0.56 0.48 -0.07 -2.27 0.00 0.00 179.45 178.10 2i0b h LEU 238 N -0.01 1.11 0.38 5.20 3.38 -0.44 -0.91 115.31 124.02 2i0b h LEU 238 Ca 0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2i0b h LEU 238 Cb 0.45 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2i0b h LEU 238 CO 0.01 0.90 -0.18 -0.61 0.09 0.00 0.00 178.44 178.65 2i0b h GLN 239 N 1.24 -0.49 -0.12 1.13 5.75 -0.41 0.34 115.11 122.55 2i0b h GLN 239 Ca 0.31 0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.88 2i0b h GLN 239 Cb 0.03 0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.69 2i0b h GLN 239 CO -0.05 -0.23 0.12 0.93 -2.65 0.00 0.00 178.83 176.96 2i0b h GLU 240 N -0.69 0.00 -0.00 1.69 5.08 -0.81 0.19 114.58 120.03 2i0b h GLU 240 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2i0b h GLU 240 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2i0b h GLU 240 CO 0.09 0.00 -0.08 1.04 -1.00 0.00 0.00 179.01 179.06 2i0b n GLN 241 N -3.99 0.28 -0.95 2.33 6.02 -0.37 -4.90 117.38 115.81 2i0b n GLN 241 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2i0b n GLN 241 Cb 0.23 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.99 2i0b n GLN 241 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2i0b n GLY 242 N 1.38 0.50 0.10 1.08 0.00 0.66 -4.94 105.19 103.97 2i0b n GLY 242 Ca 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 2i0b n GLY 242 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2i0b h LYS 243 N 0.94 0.00 -0.36 1.61 1.57 -1.10 -2.51 116.57 116.72 2i0b h LYS 243 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2i0b h LYS 243 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2i0b h LYS 243 CO 0.00 0.80 -0.26 -0.07 -0.57 0.00 0.00 179.45 179.35 2i0b h LEU 244 N 0.00 0.76 -0.52 2.94 3.38 -1.81 -1.49 115.31 118.56 2i0b h LEU 244 Ca -0.01 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 2i0b h LEU 244 Cb 1.43 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 2i0b h LEU 244 CO 0.10 0.98 0.03 -0.74 0.09 0.00 0.00 178.44 178.91 2i0b h HIS 245 N 0.64 0.98 -0.57 1.13 2.76 -1.86 -1.26 115.15 116.97 2i0b h HIS 245 Ca 0.08 -0.16 -0.04 0.00 -2.20 0.00 0.00 60.37 58.06 2i0b h HIS 245 Cb 0.77 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.44 2i0b h HIS 245 CO 0.04 0.89 0.21 0.52 -1.30 0.00 0.00 177.93 178.29 2i0b h MET 246 N 0.78 0.84 -0.34 5.26 2.86 -1.20 -0.50 114.93 122.63 2i0b h MET 246 Ca 0.15 -0.14 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 2i0b h MET 246 Cb 0.48 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 2i0b h MET 246 CO 0.02 0.70 -0.20 0.52 1.06 0.00 0.00 176.91 179.02 2i0b h MET 247 N 0.83 0.74 0.12 1.72 2.07 -1.03 -0.42 114.93 118.96 2i0b h MET 247 Ca 0.19 -0.34 -0.01 0.00 -2.07 0.00 0.00 59.70 57.48 2i0b h MET 247 Cb 0.19 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 29.91 2i0b h MET 247 CO -0.01 0.95 -0.06 -0.22 1.07 0.00 0.00 176.91 178.64 2i0b h LYS 248 N 0.52 -0.15 -0.44 1.72 1.63 -0.92 -1.42 116.57 117.51 2i0b h LYS 248 Ca 0.07 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 59.97 2i0b h LYS 248 Cb 0.74 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 32.34 2i0b h LYS 248 CO 0.06 -0.09 -0.01 0.93 -3.45 0.00 0.00 179.45 176.89 2i0b h GLU 249 N -0.17 0.09 -0.22 1.90 4.39 -1.03 0.23 114.58 119.78 2i0b h GLU 249 Ca -0.02 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.72 2i0b h GLU 249 Cb 0.13 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 2i0b h GLU 249 CO 0.03 0.06 -0.06 -0.22 -1.16 0.00 0.00 179.01 177.66 2i0b h LYS 250 N 0.10 -0.01 0.00 2.33 3.64 -0.81 0.26 116.57 122.07 2i0b h LYS 250 Ca 0.22 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 2i0b h LYS 250 Cb 0.32 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 2i0b h LYS 250 CO -0.37 -0.01 -0.85 -1.49 -2.27 0.00 0.00 179.45 174.46 2i0b h TRP 251 N -0.01 0.00 0.03 1.91 4.06 -0.89 -3.34 115.95 117.71 2i0b h TRP 251 Ca 0.11 0.00 -0.32 0.00 2.06 0.00 0.00 58.89 60.74 2i0b h TRP 251 Cb 0.17 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.29 2i0b h TRP 251 CO -0.24 0.52 -1.90 0.91 -3.56 0.00 0.00 178.44 174.17 2i0b n TRP 252 N -3.09 0.87 0.00 0.49 8.01 0.78 -4.84 117.44 119.66 2i0b n TRP 252 Ca -0.02 0.28 0.00 0.00 -1.31 0.00 0.00 57.50 56.44 2i0b n TRP 252 Cb 0.77 -1.15 0.00 0.00 -2.01 0.00 0.00 31.31 28.92 2i0b n TRP 252 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.69 179.57 2i0b n ARG 253 N -3.10 0.00 0.00 -0.99 -4.01 0.89 -4.94 116.66 104.51 2i0b n ARG 253 Ca -0.24 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.57 2i0b n ARG 253 Cb 1.06 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 30.48 2i0b n ARG 253 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2i0b n GLY 254 N 0.42 -1.44 2.65 2.89 0.00 -1.26 -4.84 105.19 103.61 2i0b n GLY 254 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2i0b n GLY 254 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2i0b n ASN 255 N 0.00 0.00 -4.80 1.61 5.15 -1.26 -5.01 115.26 110.95 2i0b n ASN 255 Ca 0.00 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 53.75 2i0b n ASN 255 Cb 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.20 2i0b n ASN 255 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2i0b s GLY 256 N -1.86 1.50 0.00 8.20 0.00 -1.26 -5.16 107.32 108.74 2i0b s GLY 256 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.33 2i0b s GLY 256 CO 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 173.10 171.67