#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2c s LYS 2 N 0.00 4.60 0.13 2.12 1.02 -1.26 -2.20 119.74 124.16 2i2c s LYS 2 Ca 0.00 1.74 -0.06 0.00 0.02 0.00 0.00 55.97 57.67 2i2c s LYS 2 Cb 0.00 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 34.04 2i2c s LYS 2 CO 0.00 0.10 0.19 1.52 -0.92 0.00 0.00 175.35 176.24 2i2c s TYR 3 N -0.45 0.48 0.11 3.18 1.13 -0.62 -0.51 117.35 120.66 2i2c s TYR 3 Ca 0.48 -0.87 -0.05 0.00 -1.41 0.00 0.00 57.07 55.22 2i2c s TYR 3 Cb -0.30 -0.19 -0.02 0.00 -1.10 0.00 0.00 41.96 40.35 2i2c s TYR 3 CO 0.36 -0.61 0.13 0.00 -2.51 0.00 0.00 175.55 172.93 2i2c s MET 4 N -3.96 0.89 -0.09 -3.49 0.23 -0.55 -0.41 119.30 111.91 2i2c s MET 4 Ca 0.16 -1.18 0.00 0.00 -1.03 0.00 0.00 55.69 53.64 2i2c s MET 4 Cb 0.05 0.30 0.02 0.00 -1.53 0.00 0.00 34.83 33.67 2i2c s MET 4 CO -0.02 -0.27 -0.08 0.42 -2.03 0.00 0.00 175.02 173.04 2i2c s ILE 5 N -3.94 0.93 0.09 3.16 1.01 -1.26 -1.26 121.20 119.94 2i2c s ILE 5 Ca 0.13 -0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.43 2i2c s ILE 5 Cb 0.06 -0.94 -0.06 0.00 0.01 0.00 0.00 42.46 41.53 2i2c s ILE 5 CO -0.05 0.34 0.37 0.42 0.00 0.00 0.00 174.94 176.02 2i2c s THR 6 N 1.43 5.15 0.10 2.92 -4.23 -0.12 -4.99 115.64 115.89 2i2c s THR 6 Ca -0.01 0.26 0.09 0.00 -1.18 0.00 0.00 61.69 60.85 2i2c s THR 6 Cb -0.13 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.05 2i2c s THR 6 CO -0.04 0.21 -0.23 -0.55 -0.54 0.00 0.00 174.62 173.47 2i2c s SER 7 N -1.98 2.73 0.41 3.99 0.15 -1.26 -1.19 113.70 116.54 2i2c s SER 7 Ca 0.35 -0.67 0.07 0.00 0.70 0.00 0.00 55.95 56.40 2i2c s SER 7 Cb -0.13 -0.18 0.86 0.00 -1.71 0.00 0.00 66.02 64.86 2i2c s SER 7 CO 0.20 0.11 2.05 0.50 1.20 0.00 0.00 173.24 177.30 2i2c h LYS 8 N 4.20 0.55 0.00 5.44 3.64 -0.88 -3.47 116.57 126.04 2i2c h LYS 8 Ca -0.47 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2i2c h LYS 8 Cb 1.17 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2i2c h LYS 8 CO 0.40 0.36 0.00 0.41 -2.27 0.00 0.00 179.45 178.36 2i2c n GLY 9 N -1.48 0.62 3.90 5.01 0.00 -1.26 -5.08 105.19 106.90 2i2c n GLY 9 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2i2c n GLY 9 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2i2c s ASP 10 N -2.09 4.90 0.20 1.61 3.84 -1.26 -4.85 116.67 119.01 2i2c s ASP 10 Ca 0.00 0.83 -0.11 0.00 -0.00 0.00 0.00 52.55 53.27 2i2c s ASP 10 Cb 0.00 -1.47 0.23 0.00 -1.38 0.00 0.00 42.92 40.30 2i2c s ASP 10 CO 0.00 -1.64 1.72 1.05 -0.00 0.00 0.00 175.17 176.30 2i2c h GLU 11 N -0.82 0.29 -0.24 2.11 4.11 -1.99 -1.80 114.58 116.24 2i2c h GLU 11 Ca -0.45 -0.02 0.06 0.00 0.07 0.00 0.00 59.36 59.02 2i2c h GLU 11 Cb 1.30 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.43 2i2c h GLU 11 CO 0.64 0.19 -0.14 -0.22 0.07 0.00 0.00 179.01 179.55 2i2c h LYS 12 N 0.30 -0.12 -0.19 1.06 3.64 -2.00 -2.22 116.57 117.04 2i2c h LYS 12 Ca 0.27 0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.47 2i2c h LYS 12 Cb 0.36 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2i2c h LYS 12 CO -0.33 -0.08 -0.64 0.77 -2.27 0.00 0.00 179.45 176.90 2i2c h SER 13 N -0.12 0.78 -0.33 4.20 0.02 -1.83 -2.57 113.55 113.70 2i2c h SER 13 Ca 0.13 -0.46 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 2i2c h SER 13 Cb 0.32 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2i2c h SER 13 CO -0.31 1.23 0.09 0.44 -1.14 0.00 0.00 176.83 177.13 2i2c h ASP 14 N 0.50 0.49 -0.36 3.07 3.32 -1.25 -1.13 116.42 121.06 2i2c h ASP 14 Ca -0.01 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.73 2i2c h ASP 14 Cb 1.24 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 2i2c h ASP 14 CO 0.13 0.59 -0.08 -0.07 -1.72 0.00 0.00 179.24 178.09 2i2c h LEU 15 N 0.38 0.76 -0.23 1.55 3.38 -1.44 -0.22 115.31 119.48 2i2c h LEU 15 Ca 0.10 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2i2c h LEU 15 Cb 0.28 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2i2c h LEU 15 CO -0.00 0.88 0.05 0.25 0.09 0.00 0.00 178.44 179.71 2i2c h LEU 16 N 0.71 0.36 -0.21 1.67 5.85 -1.35 -1.47 115.31 120.87 2i2c h LEU 16 Ca 0.13 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.66 2i2c h LEU 16 Cb 0.55 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 2i2c h LEU 16 CO 0.03 0.50 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.41 2i2c h ARG 17 N 0.19 -0.12 -0.78 1.25 2.43 -0.99 -1.05 114.38 115.32 2i2c h ARG 17 Ca 0.07 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.30 2i2c h ARG 17 Cb 0.29 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.81 2i2c h ARG 17 CO 0.00 -0.08 0.49 -0.07 -1.51 0.00 0.00 179.97 178.80 2i2c h LEU 18 N -0.12 0.78 -0.74 3.80 3.38 -0.87 -0.68 115.31 120.86 2i2c h LEU 18 Ca 0.12 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2i2c h LEU 18 Cb 0.30 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2i2c h LEU 18 CO -0.28 0.52 0.22 0.78 0.09 0.00 0.00 178.44 179.76 2i2c h ASN 19 N 0.92 1.10 -0.43 -0.43 2.35 -1.04 -0.98 115.58 117.07 2i2c h ASN 19 Ca 0.33 -0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 2i2c h ASN 19 Cb 0.09 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2i2c h ASN 19 CO -0.14 1.02 -0.02 0.24 -1.65 0.00 0.00 177.43 176.89 2i2c h MET 20 N 1.11 0.77 -0.19 0.81 2.86 -0.79 0.66 114.93 120.15 2i2c h MET 20 Ca 0.24 -0.25 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 2i2c h MET 20 Cb 0.33 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 2i2c h MET 20 CO -0.00 0.85 0.03 0.82 1.06 0.00 0.00 176.91 179.66 2i2c h ILE 21 N 0.61 0.90 -0.63 -1.22 2.04 -1.00 0.27 117.51 118.47 2i2c h ILE 21 Ca 0.12 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 66.00 2i2c h ILE 21 Cb 0.52 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 2i2c h ILE 21 CO 0.03 0.02 0.34 0.00 0.00 0.00 0.00 178.15 178.54 2i2c h ALA 22 N 1.15 0.84 -0.52 1.87 0.00 -1.06 -0.40 119.26 121.14 2i2c h ALA 22 Ca 0.09 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2i2c h ALA 22 Cb 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2i2c h ALA 22 CO -0.13 0.01 0.33 0.78 0.00 0.00 0.00 179.25 180.25 2i2c h GLY 23 N 0.64 0.75 2.00 0.00 0.00 -0.36 -2.39 103.07 103.70 2i2c h GLY 23 Ca 0.28 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 2i2c h GLY 23 CO -0.18 0.29 -0.17 0.74 0.00 0.00 0.00 176.54 177.22 2i2c h PHE 24 N 0.70 0.00 0.00 5.60 0.05 -0.05 -2.47 116.94 120.78 2i2c h PHE 24 Ca 0.19 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.98 2i2c h PHE 24 Cb -0.04 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.91 2i2c h PHE 24 CO -0.03 0.17 0.01 0.78 -0.18 0.00 0.00 178.31 179.06 2i2c h GLY 25 N 0.91 0.00 -0.91 -1.45 0.00 -0.54 -1.32 103.07 99.76 2i2c h GLY 25 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2i2c h GLY 25 CO 0.02 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.74 2i2c n GLU 26 N -2.72 1.80 0.00 4.80 -0.58 -0.93 -4.91 120.64 118.11 2i2c n GLU 26 Ca -0.02 -1.20 0.00 0.00 -0.42 0.00 0.00 57.16 55.52 2i2c n GLU 26 Cb 0.06 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 2i2c n GLU 26 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2i2c n TYR 27 N 0.43 0.00 -3.28 -0.32 4.01 -0.50 -5.16 117.16 112.34 2i2c n TYR 27 Ca 0.17 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.84 2i2c n TYR 27 Cb 0.37 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.35 2i2c n TYR 27 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2i2c s ASP 28 N 1.00 -0.14 0.00 7.72 3.68 -1.26 -4.90 116.67 122.77 2i2c s ASP 28 Ca 0.00 -0.74 0.00 0.00 2.13 0.00 0.00 52.55 53.94 2i2c s ASP 28 Cb 0.00 1.29 0.00 0.00 -1.45 0.00 0.00 42.92 42.76 2i2c s ASP 28 CO 0.00 -0.27 0.00 0.23 0.13 0.00 0.00 175.17 175.26 2i2c n MET 29 N 4.82 0.00 -4.92 4.34 2.81 -1.14 -2.51 117.12 120.52 2i2c n MET 29 Ca 0.07 0.12 -0.33 0.00 -1.81 0.00 0.00 57.70 55.75 2i2c n MET 29 Cb 0.51 -0.37 -0.15 0.00 -0.71 0.00 0.00 33.22 32.50 2i2c n MET 29 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2i2c s GLU 30 N -1.51 3.12 -0.11 0.03 2.12 -0.93 -4.78 118.70 116.63 2i2c s GLU 30 Ca 0.00 -0.74 -0.29 0.00 0.36 0.00 0.00 54.97 54.30 2i2c s GLU 30 Cb 0.00 -2.49 -0.03 0.00 0.26 0.00 0.00 34.13 31.87 2i2c s GLU 30 CO 0.00 0.29 1.33 -0.47 -0.54 0.00 0.00 175.26 175.86 2i2c s TYR 31 N 0.14 2.76 -0.23 5.30 6.14 -1.26 -1.59 117.35 128.61 2i2c s TYR 31 Ca -0.08 0.89 -0.03 0.00 0.64 0.00 0.00 57.07 58.49 2i2c s TYR 31 Cb -0.15 -3.57 0.12 0.00 0.42 0.00 0.00 41.96 38.78 2i2c s TYR 31 CO 0.05 -2.06 0.36 0.34 0.64 0.00 0.00 175.55 174.89 2i2c s ASP 32 N 2.10 0.33 0.00 4.32 -1.08 0.46 -4.89 116.67 117.91 2i2c s ASP 32 Ca 0.59 0.24 0.20 0.00 -0.52 0.00 0.00 52.55 53.06 2i2c s ASP 32 Cb -0.25 1.04 0.53 0.00 -1.46 0.00 0.00 42.92 42.79 2i2c s ASP 32 CO 0.19 -0.30 1.44 -0.90 0.52 0.00 0.00 175.17 176.13 2i2c n ASP 33 N 5.36 2.93 -0.10 -0.34 5.75 -1.26 -2.93 116.55 125.96 2i2c n ASP 33 Ca -0.04 -1.94 -0.16 0.00 -0.01 0.00 0.00 54.79 52.64 2i2c n ASP 33 Cb 0.50 -0.29 -0.07 0.00 -1.03 0.00 0.00 41.12 40.23 2i2c n ASP 33 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2i2c n VAL 34 N 1.12 1.49 -2.94 2.12 0.31 -1.26 -4.75 118.33 114.42 2i2c n VAL 34 Ca 0.19 0.01 -0.25 0.00 -0.01 0.00 0.00 64.34 64.28 2i2c n VAL 34 Cb 0.50 -2.17 -0.03 0.00 -0.91 0.00 0.00 33.84 31.22 2i2c n VAL 34 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2i2c n GLU 35 N -4.47 2.76 -2.06 5.55 1.02 -1.26 -5.10 120.64 117.08 2i2c n GLU 35 Ca -0.26 -4.50 -0.34 0.00 -0.02 0.00 0.00 57.16 52.04 2i2c n GLU 35 Cb 0.56 -2.11 0.02 0.00 -0.02 0.00 0.00 31.44 29.89 2i2c n GLU 35 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2i2c s PRO 36 N -3.27 3.19 -0.07 3.49 0.04 -1.15 -4.88 135.00 132.36 2i2c s PRO 36 Ca 0.47 1.42 0.20 0.00 0.04 0.00 0.00 61.00 63.12 2i2c s PRO 36 Cb 0.31 -2.00 -0.30 0.00 0.04 0.00 0.00 34.50 32.55 2i2c s PRO 36 CO -0.13 -0.94 0.35 0.39 0.04 0.00 0.00 177.00 176.71 2i2c n GLU 37 N -1.83 0.69 -4.74 4.56 1.02 0.34 -4.63 120.64 116.05 2i2c n GLU 37 Ca 0.10 -0.14 -0.27 0.00 -0.02 0.00 0.00 57.16 56.83 2i2c n GLU 37 Cb 0.52 -1.49 -0.17 0.00 -0.02 0.00 0.00 31.44 30.29 2i2c n GLU 37 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2i2c s ILE 38 N -3.18 1.41 -0.25 -3.67 -1.09 -0.88 -1.18 121.20 112.36 2i2c s ILE 38 Ca -0.08 -0.63 -0.01 0.00 -2.23 0.00 0.00 60.65 57.70 2i2c s ILE 38 Cb 0.11 -1.26 0.03 0.00 -1.58 0.00 0.00 42.46 39.77 2i2c s ILE 38 CO 0.83 0.42 -0.08 -0.69 -1.23 0.00 0.00 174.94 174.19 2i2c s VAL 39 N 0.61 2.70 -0.19 2.92 1.01 -0.89 -1.48 120.40 125.07 2i2c s VAL 39 Ca -0.15 -1.14 -0.10 0.00 0.00 0.00 0.00 61.98 60.59 2i2c s VAL 39 Cb -0.16 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 2i2c s VAL 39 CO 0.05 0.17 0.14 -0.63 0.00 0.00 0.00 175.10 174.83 2i2c s ILE 40 N 1.28 5.41 -0.16 2.22 1.01 -0.39 -1.19 121.20 129.38 2i2c s ILE 40 Ca -0.01 0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.85 2i2c s ILE 40 Cb -0.17 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 2i2c s ILE 40 CO -0.05 0.44 -0.11 -0.55 0.00 0.00 0.00 174.94 174.67 2i2c s SER 41 N 0.30 4.01 -0.27 3.58 0.15 0.10 -0.94 113.70 120.63 2i2c s SER 41 Ca 0.09 -0.37 -0.00 0.00 0.70 0.00 0.00 55.95 56.36 2i2c s SER 41 Cb -0.11 -1.63 0.05 0.00 -1.71 0.00 0.00 66.02 62.61 2i2c s SER 41 CO -0.01 0.10 -0.06 -0.63 1.20 0.00 0.00 173.24 173.84 2i2c s ILE 42 N 0.75 2.65 0.00 6.45 1.01 -0.34 -0.30 121.20 131.42 2i2c s ILE 42 Ca -0.05 -1.36 0.00 0.00 0.00 0.00 0.00 60.65 59.24 2i2c s ILE 42 Cb -0.15 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 39.85 2i2c s ILE 42 CO 0.01 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.59 2i2c n GLY 43 N 4.57 -0.44 0.00 6.18 0.00 -0.77 -0.14 105.19 114.58 2i2c n GLY 43 Ca -0.15 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2i2c n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i2c n GLY 44 N 0.00 4.63 0.23 -0.02 0.00 -1.26 -1.31 105.19 107.45 2i2c n GLY 44 Ca 0.00 -2.08 0.02 0.00 0.00 0.00 0.00 46.02 43.96 2i2c n GLY 44 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2i2c h ASP 45 N 0.00 0.18 -0.20 1.61 3.32 -1.95 -2.18 116.42 117.20 2i2c h ASP 45 Ca 0.00 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.02 2i2c h ASP 45 Cb 0.00 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2i2c h ASP 45 CO 0.00 0.40 0.07 1.23 -1.72 0.00 0.00 179.24 179.22 2i2c h GLY 46 N 0.84 0.24 0.82 2.75 0.00 -1.95 0.32 103.07 106.09 2i2c h GLY 46 Ca 0.03 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.36 2i2c h GLY 46 CO 0.03 0.03 0.42 -0.84 0.00 0.00 0.00 176.54 176.17 2i2c h THR 47 N 0.16 1.06 -0.55 4.70 2.02 -1.88 -1.50 112.91 116.93 2i2c h THR 47 Ca 0.09 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 66.94 2i2c h THR 47 Cb 0.06 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 2i2c h THR 47 CO -0.09 0.15 0.15 0.15 0.37 0.00 0.00 175.52 176.24 2i2c h PHE 48 N 0.80 0.90 -0.85 3.16 3.57 -0.91 -1.61 116.94 122.01 2i2c h PHE 48 Ca 0.28 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.70 2i2c h PHE 48 Cb 0.07 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.51 2i2c h PHE 48 CO -0.05 0.78 0.56 -0.07 -2.23 0.00 0.00 178.31 177.29 2i2c h LEU 49 N 0.77 0.96 -0.67 0.59 3.38 -0.07 -1.51 115.31 118.76 2i2c h LEU 49 Ca 0.17 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2i2c h LEU 49 Cb 0.32 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2i2c h LEU 49 CO -0.00 0.68 0.16 0.28 0.09 0.00 0.00 178.44 179.65 2i2c h SER 50 N 1.13 1.02 -0.36 -0.43 0.02 -1.00 -1.92 113.55 112.01 2i2c h SER 50 Ca 0.32 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2i2c h SER 50 Cb -0.09 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.15 2i2c h SER 50 CO -0.08 1.00 0.22 0.00 -1.14 0.00 0.00 176.83 176.83 2i2c h ALA 51 N 1.07 0.46 -0.30 3.77 0.00 -0.95 0.92 119.26 124.22 2i2c h ALA 51 Ca 0.21 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2i2c h ALA 51 Cb 0.37 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2i2c h ALA 51 CO 0.00 -0.12 0.09 0.35 0.00 0.00 0.00 179.25 179.58 2i2c h PHE 52 N 0.45 0.17 0.00 0.00 3.57 -1.13 -2.71 116.94 117.29 2i2c h PHE 52 Ca 0.14 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 2i2c h PHE 52 Cb -0.01 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 2i2c h PHE 52 CO -0.07 0.07 -0.35 0.45 -2.23 0.00 0.00 178.31 176.18 2i2c h HIS 53 N 0.22 0.00 -0.67 0.41 3.86 -1.15 -2.05 115.15 115.78 2i2c h HIS 53 Ca 0.14 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.36 2i2c h HIS 53 Cb 0.11 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 2i2c h HIS 53 CO -0.14 0.35 0.44 0.37 0.86 0.00 0.00 177.93 179.81 2i2c h GLN 54 N 0.00 0.86 -0.02 2.45 4.15 -0.53 -3.29 115.11 118.74 2i2c h GLN 54 Ca -0.00 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 2i2c h GLN 54 Cb 0.91 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 28.40 2i2c h GLN 54 CO 0.05 0.57 -0.36 0.66 -1.93 0.00 0.00 178.83 177.82 2i2c n TYR 55 N -4.44 0.05 0.34 3.99 4.01 -0.89 -4.80 117.16 115.42 2i2c n TYR 55 Ca 0.07 -1.38 0.14 0.00 -0.16 0.00 0.00 57.90 56.58 2i2c n TYR 55 Cb 0.06 -0.24 0.61 0.00 -0.31 0.00 0.00 39.34 39.46 2i2c n TYR 55 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 2i2c h GLU 56 N 0.76 0.00 -0.00 -0.72 4.11 -1.47 -1.03 114.58 116.23 2i2c h GLU 56 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2i2c h GLU 56 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2i2c h GLU 56 CO 0.02 0.00 -0.07 0.39 0.07 0.00 0.00 179.01 179.41 2i2c n GLU 57 N -2.58 0.90 -0.67 1.06 4.71 -1.26 -3.98 120.64 118.82 2i2c n GLU 57 Ca 0.01 -0.31 0.06 0.00 -0.01 0.00 0.00 57.16 56.91 2i2c n GLU 57 Cb 0.23 -1.49 0.13 0.00 -1.01 0.00 0.00 31.44 29.30 2i2c n GLU 57 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2i2c n ARG 58 N -0.78 1.01 0.08 3.49 1.74 -0.40 -4.87 116.66 116.94 2i2c n ARG 58 Ca 0.17 -2.63 0.03 0.00 -0.77 0.00 0.00 57.85 54.65 2i2c n ARG 58 Cb 0.26 -1.12 0.41 0.00 -1.02 0.00 0.00 32.46 30.98 2i2c n ARG 58 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2i2c h LEU 59 N 0.68 0.31 -1.14 0.55 3.38 -1.68 -1.34 115.31 116.07 2i2c h LEU 59 Ca -0.05 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2i2c h LEU 59 Cb 1.24 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2i2c h LEU 59 CO 0.02 0.36 0.00 0.44 0.09 0.00 0.00 178.44 179.35 2i2c h ASP 60 N 0.33 0.00 0.00 -0.43 3.45 -1.89 -3.20 116.42 114.68 2i2c h ASP 60 Ca 0.08 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.54 2i2c h ASP 60 Cb 0.22 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 2i2c h ASP 60 CO 0.00 0.00 -0.65 -0.62 -1.57 0.00 0.00 179.24 176.40 2i2c n GLU 61 N -2.60 2.46 -4.93 3.56 1.02 -0.53 -5.00 120.64 114.62 2i2c n GLU 61 Ca 0.01 -0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.82 2i2c n GLU 61 Cb 0.24 -1.15 -0.14 0.00 -0.02 0.00 0.00 31.44 30.38 2i2c n GLU 61 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2i2c s ILE 62 N -2.30 2.92 -0.17 -3.67 1.01 -1.08 -4.53 121.20 113.38 2i2c s ILE 62 Ca 0.05 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.89 2i2c s ILE 62 Cb 0.10 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 2i2c s ILE 62 CO 0.56 0.58 -0.01 0.00 0.00 0.00 0.00 174.94 176.08 2i2c s ALA 63 N -0.57 3.09 0.09 9.38 0.00 -0.32 -4.33 121.76 129.10 2i2c s ALA 63 Ca 0.08 -0.85 -0.06 0.00 0.00 0.00 0.00 51.96 51.13 2i2c s ALA 63 Cb -0.11 -1.69 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 2i2c s ALA 63 CO 0.01 0.12 0.35 -0.06 0.00 0.00 0.00 175.76 176.18 2i2c s PHE 64 N 0.52 3.53 -0.02 0.00 0.08 0.28 -2.10 117.98 120.28 2i2c s PHE 64 Ca -0.01 0.61 -0.02 0.00 0.12 0.00 0.00 56.93 57.63 2i2c s PHE 64 Cb -0.14 -2.03 0.01 0.00 -0.57 0.00 0.00 43.02 40.29 2i2c s PHE 64 CO 0.02 0.51 0.05 0.42 -0.10 0.00 0.00 175.22 176.12 2i2c s ILE 65 N -1.50 -0.01 -0.05 0.64 1.01 -0.34 -1.54 121.20 119.42 2i2c s ILE 65 Ca 0.35 0.03 0.06 0.00 0.00 0.00 0.00 60.65 61.09 2i2c s ILE 65 Cb -0.13 -0.08 -0.02 0.00 0.01 0.00 0.00 42.46 42.24 2i2c s ILE 65 CO 0.21 0.01 -0.22 -0.83 0.00 0.00 0.00 174.94 174.11 2i2c s GLY 66 N 0.17 1.36 -0.14 6.18 0.00 -1.24 -0.72 107.32 112.93 2i2c s GLY 66 Ca -0.01 -1.04 -0.01 0.00 0.00 0.00 0.00 44.72 43.66 2i2c s GLY 66 CO -0.00 -0.70 -0.11 -0.42 0.00 0.00 0.00 173.10 171.86 2i2c s ILE 67 N -0.34 3.20 -0.20 0.90 1.01 0.60 -1.83 121.20 124.53 2i2c s ILE 67 Ca 0.02 -0.60 -0.09 0.00 0.00 0.00 0.00 60.65 59.98 2i2c s ILE 67 Cb -0.12 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 2i2c s ILE 67 CO 0.02 0.51 0.11 -1.38 0.00 0.00 0.00 174.94 174.20 2i2c s HIS 68 N 0.42 3.32 -2.09 3.97 -3.43 0.79 -1.85 115.29 116.41 2i2c s HIS 68 Ca -0.09 0.18 0.22 0.00 -0.80 0.00 0.00 55.06 54.58 2i2c s HIS 68 Cb -0.16 -2.16 0.60 0.00 -1.43 0.00 0.00 32.58 29.44 2i2c s HIS 68 CO 0.05 0.16 1.51 0.25 -2.00 0.00 0.00 174.74 174.71 2i2c n THR 69 N 3.75 0.87 0.00 -5.38 -2.24 -0.43 -4.19 114.28 106.66 2i2c n THR 69 Ca -0.16 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.70 2i2c n THR 69 Cb 0.52 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 2i2c n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2i2c n GLY 70 N 1.61 -1.96 0.00 3.38 0.00 -1.26 -5.02 105.19 101.94 2i2c n GLY 70 Ca 0.23 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2i2c n GLY 70 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2i2c n HIS 71 N -0.14 0.00 -1.74 1.61 1.44 -1.26 -5.10 115.22 110.04 2i2c n HIS 71 Ca 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 2i2c n HIS 71 Cb 0.00 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.10 2i2c n HIS 71 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2i2c n LEU 72 N 0.00 -3.03 -3.47 2.39 7.99 -1.26 -5.00 117.00 114.62 2i2c n LEU 72 Ca 0.00 0.40 -0.28 0.00 -0.01 0.00 0.00 56.01 56.12 2i2c n LEU 72 Cb 0.00 -1.48 -0.13 0.00 -0.11 0.00 0.00 43.42 41.70 2i2c n LEU 72 CO 0.00 -0.77 -0.31 -0.83 -1.51 0.00 0.00 177.39 173.97 2i2c s GLY 73 N -0.23 0.72 0.24 -0.72 0.00 -1.26 -4.28 107.32 101.78 2i2c s GLY 73 Ca -0.03 -1.63 0.15 0.00 0.00 0.00 0.00 44.72 43.21 2i2c s GLY 73 CO 0.16 2.12 1.32 0.74 0.00 0.00 0.00 173.10 177.44 2i2c h PHE 74 N 7.35 0.00 -0.11 1.90 0.04 -1.97 -3.28 116.94 120.87 2i2c h PHE 74 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2i2c h PHE 74 Cb 0.98 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.13 2i2c h PHE 74 CO 0.40 0.51 0.00 0.66 -0.60 0.00 0.00 178.31 179.28 2i2c n TYR 75 N -3.15 0.12 -3.45 -0.55 4.01 -1.26 -4.71 117.16 108.18 2i2c n TYR 75 Ca -0.00 -0.08 -0.41 0.00 -0.16 0.00 0.00 57.90 57.25 2i2c n TYR 75 Cb 0.75 -0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.68 2i2c n TYR 75 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2i2c s ALA 76 N -1.43 3.49 0.00 -0.72 0.00 -1.24 -3.58 121.76 118.29 2i2c s ALA 76 Ca 0.24 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.86 2i2c s ALA 76 Cb 0.16 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.49 2i2c s ALA 76 CO 0.23 -1.10 0.00 -0.25 0.00 0.00 0.00 175.76 174.64 2i2c n ASP 77 N 5.28 0.00 -4.05 0.00 10.43 -1.26 -4.67 116.55 122.28 2i2c n ASP 77 Ca -0.10 0.00 -0.17 0.00 2.57 0.00 0.00 54.79 57.09 2i2c n ASP 77 Cb 0.49 0.00 -0.13 0.00 1.84 0.00 0.00 41.12 43.32 2i2c n ASP 77 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 2i2c s TRP 78 N 0.00 0.79 0.31 1.24 0.52 -0.76 -5.03 118.94 116.01 2i2c s TRP 78 Ca 0.00 -0.29 -0.09 0.00 0.02 0.00 0.00 56.10 55.74 2i2c s TRP 78 Cb 0.00 -0.48 -0.06 0.00 -1.15 0.00 0.00 33.47 31.77 2i2c s TRP 78 CO 0.00 -0.02 0.63 1.03 0.02 0.00 0.00 176.95 178.61 2i2c s ARG 79 N -0.82 3.76 0.48 4.98 0.52 -1.26 -0.15 118.95 126.45 2i2c s ARG 79 Ca -0.01 0.28 0.15 0.00 -0.52 0.00 0.00 55.73 55.63 2i2c s ARG 79 Cb -0.06 -2.55 1.16 0.00 0.52 0.00 0.00 34.95 34.01 2i2c s ARG 79 CO 0.00 0.16 2.07 -1.35 0.02 0.00 0.00 175.30 176.21 2i2c h PRO 80 N 1.85 0.19 0.00 3.54 0.11 -1.95 -1.68 132.00 134.06 2i2c h PRO 80 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2i2c h PRO 80 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2i2c h PRO 80 CO 0.66 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 178.58 2i2c h ALA 81 N 1.84 1.00 -0.30 -0.75 0.00 -1.96 -2.86 119.26 116.23 2i2c h ALA 81 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2i2c h ALA 81 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2i2c h ALA 81 CO -0.02 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.62 2i2c n GLU 82 N -2.71 2.20 -0.24 0.00 1.02 -0.63 -4.56 120.64 115.73 2i2c n GLU 82 Ca 0.01 -1.81 -0.01 0.00 -0.02 0.00 0.00 57.16 55.32 2i2c n GLU 82 Cb 0.24 -1.46 0.19 0.00 -0.02 0.00 0.00 31.44 30.39 2i2c n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i2c h ALA 83 N 4.33 1.34 -0.54 0.62 0.00 -1.58 -1.50 119.26 121.94 2i2c h ALA 83 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2i2c h ALA 83 Cb 0.79 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2i2c h ALA 83 CO 0.00 0.56 0.19 -0.44 0.00 0.00 0.00 179.25 179.56 2i2c h ASP 84 N 1.06 0.77 -0.55 0.00 3.32 -1.85 -0.58 116.42 118.59 2i2c h ASP 84 Ca 0.27 -0.19 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 2i2c h ASP 84 Cb -0.02 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 2i2c h ASP 84 CO -0.05 0.75 0.14 0.50 -1.72 0.00 0.00 179.24 178.87 2i2c h LYS 85 N 0.74 0.93 -0.32 3.56 3.64 -1.76 -2.07 116.57 121.28 2i2c h LYS 85 Ca 0.18 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 2i2c h LYS 85 Cb 0.24 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2i2c h LYS 85 CO -0.01 0.83 0.01 1.25 -2.27 0.00 0.00 179.45 179.25 2i2c h LEU 86 N 0.89 0.56 -0.34 5.20 5.85 -1.04 -0.14 115.31 126.28 2i2c h LEU 86 Ca 0.19 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.68 2i2c h LEU 86 Cb 0.32 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 2i2c h LEU 86 CO -0.00 0.72 -0.12 0.58 -0.34 0.00 0.00 178.44 179.28 2i2c h VAL 87 N 0.37 0.59 0.28 1.05 2.07 -0.92 -0.24 116.25 119.45 2i2c h VAL 87 Ca 0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 2i2c h VAL 87 Cb 0.43 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2i2c h VAL 87 CO 0.02 0.00 -0.15 0.50 0.02 0.00 0.00 177.57 177.96 2i2c h LYS 88 N -0.05 -0.39 -0.63 1.57 3.64 -1.22 -1.50 116.57 118.01 2i2c h LYS 88 Ca 0.17 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 2i2c h LYS 88 Cb 0.30 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 2i2c h LYS 88 CO -0.38 -0.26 0.15 -0.07 -2.27 0.00 0.00 179.45 176.62 2i2c h LEU 89 N -0.40 0.93 -0.75 5.20 3.38 -0.88 -2.50 115.31 120.28 2i2c h LEU 89 Ca -0.03 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.62 2i2c h LEU 89 Cb 0.32 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2i2c h LEU 89 CO 0.05 0.90 -0.48 0.25 0.09 0.00 0.00 178.44 179.24 2i2c h LEU 90 N 0.94 0.36 -0.52 1.67 6.46 -0.96 -2.01 115.31 121.24 2i2c h LEU 90 Ca 0.20 -0.17 -0.16 0.00 -0.12 0.00 0.00 57.88 57.62 2i2c h LEU 90 Cb 0.34 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 2i2c h LEU 90 CO 0.00 0.79 -0.57 0.00 -0.62 0.00 0.00 178.44 178.05 2i2c h ALA 91 N 1.22 0.71 -0.00 1.25 0.00 -1.08 -3.07 119.26 118.29 2i2c h ALA 91 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2i2c h ALA 91 Cb 0.95 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2i2c h ALA 91 CO 0.08 0.69 -0.01 0.36 0.00 0.00 0.00 179.25 180.37 2i2c n LYS 92 N -3.94 0.22 -3.19 0.00 2.85 -0.96 -4.93 118.16 108.21 2i2c n LYS 92 Ca -0.03 -0.01 -0.18 0.00 -1.05 0.00 0.00 58.31 57.05 2i2c n LYS 92 Cb 0.61 -1.50 0.05 0.00 -0.65 0.00 0.00 35.03 33.54 2i2c n LYS 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2i2c n GLY 93 N 1.39 -0.19 2.68 2.58 0.00 -1.01 -4.94 105.19 105.70 2i2c n GLY 93 Ca 0.11 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2i2c n GLY 93 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2i2c n GLU 94 N -3.71 4.31 -3.65 1.61 1.02 -0.79 -4.93 120.64 114.50 2i2c n GLU 94 Ca -0.02 -3.69 -0.15 0.00 -0.02 0.00 0.00 57.16 53.28 2i2c n GLU 94 Cb 0.56 -2.71 -0.08 0.00 -0.02 0.00 0.00 31.44 29.19 2i2c n GLU 94 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 2i2c s TYR 95 N -1.03 -0.52 -0.05 -0.32 -0.85 -1.26 -4.18 117.35 109.13 2i2c s TYR 95 Ca 0.45 1.07 0.01 0.00 -0.52 0.00 0.00 57.07 58.09 2i2c s TYR 95 Cb 0.14 0.25 -0.03 0.00 0.38 0.00 0.00 41.96 42.70 2i2c s TYR 95 CO -0.04 -0.42 -0.05 -0.65 -1.52 0.00 0.00 175.55 172.87 2i2c s GLN 96 N -0.60 2.75 0.21 -3.49 1.11 0.57 -4.87 119.66 115.34 2i2c s GLN 96 Ca -0.07 -0.57 -0.22 0.00 0.01 0.00 0.00 55.36 54.51 2i2c s GLN 96 Cb -0.03 -2.62 -0.08 0.00 -1.01 0.00 0.00 33.01 29.27 2i2c s GLN 96 CO 0.05 0.65 0.75 0.15 0.01 0.00 0.00 175.29 176.90 2i2c s LYS 97 N -1.05 4.36 -0.06 2.91 1.02 -1.26 -2.22 119.74 123.43 2i2c s LYS 97 Ca 0.15 0.98 0.04 0.00 0.02 0.00 0.00 55.97 57.16 2i2c s LYS 97 Cb -0.11 -2.98 -0.00 0.00 -0.52 0.00 0.00 37.83 34.22 2i2c s LYS 97 CO 0.04 0.44 -0.19 0.08 -0.92 0.00 0.00 175.35 174.79 2i2c s VAL 98 N -1.43 1.63 -0.08 3.17 1.01 -0.53 -4.95 120.40 119.22 2i2c s VAL 98 Ca 0.41 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.59 2i2c s VAL 98 Cb -0.18 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 2i2c s VAL 98 CO 0.22 0.46 -0.08 -0.44 0.00 0.00 0.00 175.10 175.26 2i2c s SER 99 N 0.10 4.49 0.03 3.32 0.01 -1.26 0.24 113.70 120.63 2i2c s SER 99 Ca -0.07 -0.09 0.07 0.00 1.31 0.00 0.00 55.95 57.17 2i2c s SER 99 Cb -0.13 -1.19 -0.03 0.00 0.21 0.00 0.00 66.02 64.87 2i2c s SER 99 CO 0.04 0.33 -0.20 -0.31 0.41 0.00 0.00 173.24 173.50 2i2c s TYR 100 N -0.60 2.51 0.63 2.43 1.51 -0.44 -4.86 117.35 118.53 2i2c s TYR 100 Ca 0.09 -0.29 -0.18 0.00 -1.01 0.00 0.00 57.07 55.68 2i2c s TYR 100 Cb -0.12 -1.47 -0.02 0.00 -0.11 0.00 0.00 41.96 40.25 2i2c s TYR 100 CO 0.02 0.19 1.21 -2.14 -1.11 0.00 0.00 175.55 173.72 2i2c s PRO 101 N -1.24 2.75 0.28 -1.71 0.02 -1.26 -2.13 135.00 131.71 2i2c s PRO 101 Ca 0.13 1.81 0.09 0.00 0.02 0.00 0.00 61.00 63.04 2i2c s PRO 101 Cb -0.10 -1.90 -0.06 0.00 0.02 0.00 0.00 34.50 32.46 2i2c s PRO 101 CO 0.03 -1.37 -0.11 -0.51 -0.33 0.00 0.00 177.00 174.71 2i2c s LEU 102 N -4.37 2.58 -0.16 -5.54 1.43 -1.25 -4.68 118.68 106.68 2i2c s LEU 102 Ca 0.77 -1.13 -0.04 0.00 -1.03 0.00 0.00 54.13 52.70 2i2c s LEU 102 Cb -0.30 -0.82 -0.02 0.00 0.03 0.00 0.00 46.19 45.08 2i2c s LEU 102 CO 0.37 -0.20 -0.04 -0.22 0.23 0.00 0.00 176.35 176.48 2i2c s LEU 103 N -3.47 3.17 -0.16 1.79 2.96 -0.87 -0.91 118.68 121.19 2i2c s LEU 103 Ca 0.29 -0.18 -0.16 0.00 -0.22 0.00 0.00 54.13 53.86 2i2c s LEU 103 Cb 0.01 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 2i2c s LEU 103 CO 0.13 0.14 0.40 -0.75 -1.32 0.00 0.00 176.35 174.94 2i2c s LYS 104 N 0.53 4.26 -0.13 1.98 2.20 0.13 -1.04 119.74 127.67 2i2c s LYS 104 Ca -0.03 0.26 0.01 0.00 -0.36 0.00 0.00 55.97 55.85 2i2c s LYS 104 Cb -0.14 -3.47 -0.01 0.00 -1.51 0.00 0.00 37.83 32.70 2i2c s LYS 104 CO 0.03 0.11 -0.17 0.99 -0.36 0.00 0.00 175.35 175.95 2i2c s THR 105 N 0.82 2.66 -0.14 3.43 2.01 -0.03 -2.23 115.64 122.17 2i2c s THR 105 Ca 0.21 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.42 2i2c s THR 105 Cb -0.14 -2.10 -0.00 0.00 0.01 0.00 0.00 72.50 70.27 2i2c s THR 105 CO 0.07 0.53 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.48 2i2c s THR 106 N 0.48 2.62 -0.27 -0.82 2.01 0.33 -0.18 115.64 119.80 2i2c s THR 106 Ca -0.12 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.05 2i2c s THR 106 Cb -0.16 -2.09 0.02 0.00 0.01 0.00 0.00 72.50 70.28 2i2c s THR 106 CO 0.05 0.53 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.81 2i2c s VAL 107 N 0.65 3.30 -0.14 3.82 1.01 0.91 0.03 120.40 129.99 2i2c s VAL 107 Ca -0.08 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.91 2i2c s VAL 107 Cb -0.16 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 2i2c s VAL 107 CO 0.02 0.14 0.10 -0.54 0.00 0.00 0.00 175.10 174.82 2i2c s LYS 108 N 1.39 3.60 0.49 2.72 1.02 -0.08 -0.21 119.74 128.66 2i2c s LYS 108 Ca 0.01 -0.23 0.07 0.00 0.02 0.00 0.00 55.97 55.84 2i2c s LYS 108 Cb -0.17 -3.18 0.01 0.00 -0.52 0.00 0.00 37.83 33.97 2i2c s LYS 108 CO -0.02 0.59 0.40 0.71 -0.92 0.00 0.00 175.35 176.12 2i2c s TYR 109 N -0.51 2.11 0.78 3.18 2.02 0.71 -0.53 117.35 125.11 2i2c s TYR 109 Ca 0.11 -0.68 -0.04 0.00 -0.37 0.00 0.00 57.07 56.09 2i2c s TYR 109 Cb -0.12 -2.04 0.15 0.00 -0.40 0.00 0.00 41.96 39.55 2i2c s TYR 109 CO 0.02 -0.33 1.08 0.20 -1.57 0.00 0.00 175.55 174.95 2i2c s GLY 110 N -4.22 1.76 0.00 0.71 0.00 -0.53 -4.59 107.32 100.45 2i2c s GLY 110 Ca 0.42 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.53 2i2c s GLY 110 CO 0.25 -0.99 0.00 0.29 0.00 0.00 0.00 173.10 172.65 2i2c n ILE 111 N -3.07 0.00 -3.55 0.90 -5.35 -1.26 -4.17 119.36 102.87 2i2c n ILE 111 Ca 0.15 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.63 2i2c n ILE 111 Cb 0.60 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.46 2i2c n ILE 111 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2i2c s GLY 112 N 0.00 -0.43 -0.05 3.28 0.00 -1.26 -4.91 107.32 103.95 2i2c s GLY 112 Ca 0.00 2.72 -0.04 0.00 0.00 0.00 0.00 44.72 47.40 2i2c s GLY 112 CO 0.00 3.04 0.07 0.28 0.00 0.00 0.00 173.10 176.49 2i2c n LYS 113 N 4.99 -2.97 -1.69 2.90 5.02 -1.26 -5.12 118.16 120.03 2i2c n LYS 113 Ca -0.12 2.39 0.00 0.00 -2.02 0.00 0.00 58.31 58.56 2i2c n LYS 113 Cb 0.52 -3.23 0.00 0.00 -0.02 0.00 0.00 35.03 32.30 2i2c n LYS 113 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2i2c n LYS 114 N 1.07 -4.67 -1.98 1.97 2.85 -1.26 -4.83 118.16 111.32 2i2c n LYS 114 Ca -0.12 3.51 -0.01 0.00 -1.05 0.00 0.00 58.31 60.65 2i2c n LYS 114 Cb 0.19 -4.08 0.00 0.00 -0.65 0.00 0.00 35.03 30.49 2i2c n LYS 114 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2i2c n GLU 115 N -1.36 -0.43 -4.19 -1.58 4.07 0.70 -0.21 120.64 117.63 2i2c n GLU 115 Ca 0.00 0.73 -0.35 0.00 -0.06 0.00 0.00 57.16 57.47 2i2c n GLU 115 Cb 0.13 -2.78 -0.09 0.00 -0.06 0.00 0.00 31.44 28.64 2i2c n GLU 115 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2i2c s ALA 116 N -3.02 3.42 -0.07 4.31 0.00 0.16 -4.95 121.76 121.61 2i2c s ALA 116 Ca 0.02 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.27 2i2c s ALA 116 Cb -0.00 -1.68 -0.00 0.00 0.00 0.00 0.00 23.12 21.44 2i2c s ALA 116 CO 0.22 0.49 -0.21 0.99 0.00 0.00 0.00 175.76 177.25 2i2c s THR 117 N -0.58 1.78 0.13 0.00 2.01 -1.26 -0.06 115.64 117.66 2i2c s THR 117 Ca 0.10 -0.89 0.07 0.00 0.31 0.00 0.00 61.69 61.29 2i2c s THR 117 Cb -0.12 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 2i2c s THR 117 CO 0.02 0.50 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.97 2i2c s TYR 118 N 0.17 1.64 -0.10 4.92 2.02 0.74 -4.99 117.35 121.75 2i2c s TYR 118 Ca -0.10 -0.48 0.03 0.00 -0.37 0.00 0.00 57.07 56.15 2i2c s TYR 118 Cb -0.15 -0.86 -0.01 0.00 -0.40 0.00 0.00 41.96 40.55 2i2c s TYR 118 CO 0.05 0.22 -0.21 -1.17 -1.57 0.00 0.00 175.55 172.87 2i2c s LEU 119 N -2.32 2.28 -0.02 -1.29 2.96 -1.26 -0.85 118.68 118.17 2i2c s LEU 119 Ca 0.10 -0.48 0.08 0.00 -0.22 0.00 0.00 54.13 53.60 2i2c s LEU 119 Cb -0.07 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 2i2c s LEU 119 CO 0.05 0.17 -0.26 0.00 -1.32 0.00 0.00 176.35 174.99 2i2c s ALA 120 N 0.27 2.13 -0.13 5.97 0.00 -0.21 -4.92 121.76 124.87 2i2c s ALA 120 Ca -0.15 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 50.77 2i2c s ALA 120 Cb -0.17 -0.54 -0.23 0.00 0.00 0.00 0.00 23.12 22.18 2i2c s ALA 120 CO 0.07 0.52 0.31 -0.11 0.00 0.00 0.00 175.76 176.56 2i2c n LEU 121 N 2.44 1.56 -0.01 0.00 7.94 -1.26 -2.05 117.00 125.62 2i2c n LEU 121 Ca -0.16 0.18 -0.01 0.00 -1.11 0.00 0.00 56.01 54.91 2i2c n LEU 121 Cb 0.51 -0.32 -0.00 0.00 0.53 0.00 0.00 43.42 44.14 2i2c n LEU 121 CO 0.23 0.64 -0.06 0.59 -1.11 0.00 0.00 177.39 177.68 2i2c n ASN 122 N -3.15 0.19 -3.63 1.96 3.02 -1.26 -3.81 115.26 108.57 2i2c n ASN 122 Ca -0.29 0.07 -0.07 0.00 -0.03 0.00 0.00 54.58 54.26 2i2c n ASN 122 Cb 1.06 -0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 39.69 2i2c n ASN 122 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2i2c s GLU 123 N -1.18 1.18 -0.06 3.52 1.03 -1.26 -1.44 118.70 120.50 2i2c s GLU 123 Ca -0.03 -0.56 0.06 0.00 0.03 0.00 0.00 54.97 54.47 2i2c s GLU 123 Cb 0.00 0.46 -0.01 0.00 -0.80 0.00 0.00 34.13 33.79 2i2c s GLU 123 CO 0.04 -0.53 -0.23 0.45 -1.33 0.00 0.00 175.26 173.66 2i2c s SER 124 N -2.76 2.84 0.25 0.83 0.15 -0.40 -0.69 113.70 113.92 2i2c s SER 124 Ca 0.08 -0.47 0.10 0.00 0.70 0.00 0.00 55.95 56.36 2i2c s SER 124 Cb -0.02 -0.80 -0.05 0.00 -1.71 0.00 0.00 66.02 63.45 2i2c s SER 124 CO -0.03 0.22 -0.18 0.42 1.20 0.00 0.00 173.24 174.87 2i2c s THR 125 N -0.10 2.16 -0.04 6.45 -4.23 -0.56 -0.72 115.64 118.61 2i2c s THR 125 Ca -0.04 -2.32 0.02 0.00 -1.18 0.00 0.00 61.69 58.17 2i2c s THR 125 Cb -0.13 -2.19 0.01 0.00 1.34 0.00 0.00 72.50 71.53 2i2c s THR 125 CO 0.03 -0.48 -0.08 0.54 -0.54 0.00 0.00 174.62 174.09 2i2c s VAL 126 N -2.71 0.79 0.24 2.29 0.11 -0.38 -1.41 120.40 119.33 2i2c s VAL 126 Ca 0.27 -0.32 0.01 0.00 -2.93 0.00 0.00 61.98 59.01 2i2c s VAL 126 Cb -0.03 -0.74 -0.05 0.00 -1.53 0.00 0.00 36.38 34.04 2i2c s VAL 126 CO 0.11 0.26 0.10 -0.54 -3.33 0.00 0.00 175.10 171.70 2i2c s LYS 127 N 0.51 1.33 0.75 1.54 1.02 -0.29 -1.66 119.74 122.93 2i2c s LYS 127 Ca -0.08 -1.71 -0.11 0.00 0.02 0.00 0.00 55.97 54.09 2i2c s LYS 127 Cb -0.12 -0.13 0.04 0.00 -0.52 0.00 0.00 37.83 37.10 2i2c s LYS 127 CO 0.01 -0.30 1.08 0.45 -0.92 0.00 0.00 175.35 175.67 2i2c s SER 128 N -3.26 4.93 0.00 2.83 0.15 -1.26 -0.78 113.70 116.31 2i2c s SER 128 Ca 0.37 1.46 0.03 0.00 0.70 0.00 0.00 55.95 58.50 2i2c s SER 128 Cb 0.07 -2.26 0.17 0.00 -1.71 0.00 0.00 66.02 62.29 2i2c s SER 128 CO 0.12 -1.71 0.89 -1.54 1.20 0.00 0.00 173.24 172.20 2i2c n SER 129 N -3.28 0.00 -1.94 5.45 3.41 -1.18 -4.05 113.62 112.03 2i2c n SER 129 Ca 0.07 -1.44 -0.01 0.00 -0.26 0.00 0.00 58.87 57.23 2i2c n SER 129 Cb 0.55 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 2i2c n SER 129 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2i2c n GLY 130 N 0.29 -3.51 0.00 5.00 0.00 -1.26 -5.03 105.19 100.68 2i2c n GLY 130 Ca 0.02 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2i2c n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i2c n GLY 131 N 0.37 1.69 3.74 -0.02 0.00 -1.26 -5.18 105.19 104.53 2i2c n GLY 131 Ca -0.05 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 2i2c n GLY 131 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2i2c s PRO 132 N -2.45 4.38 -0.31 1.61 0.02 -1.26 -4.75 135.00 132.24 2i2c s PRO 132 Ca 0.00 2.10 -0.15 0.00 0.02 0.00 0.00 61.00 62.96 2i2c s PRO 132 Cb 0.00 -3.16 -0.02 0.00 0.02 0.00 0.00 34.50 31.33 2i2c s PRO 132 CO 0.00 -0.24 0.38 0.12 -0.33 0.00 0.00 177.00 176.93 2i2c s PHE 133 N -0.17 3.22 -0.05 6.54 5.36 -1.25 -4.91 117.98 126.72 2i2c s PHE 133 Ca 0.55 0.16 -0.02 0.00 -0.96 0.00 0.00 56.93 56.66 2i2c s PHE 133 Cb -0.37 -2.65 0.03 0.00 -0.34 0.00 0.00 43.02 39.68 2i2c s PHE 133 CO 0.41 -0.36 0.04 0.08 -1.46 0.00 0.00 175.22 173.93 2i2c s VAL 134 N 2.07 0.09 0.04 3.12 1.01 -1.26 -2.65 120.40 122.81 2i2c s VAL 134 Ca 0.13 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.44 2i2c s VAL 134 Cb -0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 2i2c s VAL 134 CO 0.11 0.21 -0.07 0.68 0.00 0.00 0.00 175.10 176.03 2i2c s VAL 135 N 2.08 0.50 -0.11 2.92 -7.23 -0.41 -3.41 120.40 114.75 2i2c s VAL 135 Ca 0.05 -1.09 -0.22 0.00 -1.81 0.00 0.00 61.98 58.91 2i2c s VAL 135 Cb -0.12 -0.60 -0.03 0.00 0.56 0.00 0.00 36.38 36.18 2i2c s VAL 135 CO -0.04 -0.41 0.66 -1.81 -0.31 0.00 0.00 175.10 173.20 2i2c s ASP 136 N -1.61 6.88 -0.25 4.85 -0.00 -0.12 0.01 116.67 126.44 2i2c s ASP 136 Ca -0.10 1.06 -0.12 0.00 -0.00 0.00 0.00 52.55 53.39 2i2c s ASP 136 Cb -0.10 -2.38 -0.05 0.00 -0.00 0.00 0.00 42.92 40.39 2i2c s ASP 136 CO 0.00 -0.15 0.22 -0.69 -0.00 0.00 0.00 175.17 174.55 2i2c s VAL 137 N 1.08 5.30 -0.16 -1.27 1.01 0.67 -1.33 120.40 125.71 2i2c s VAL 137 Ca 0.34 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.61 2i2c s VAL 137 Cb -0.17 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.67 2i2c s VAL 137 CO 0.15 0.28 -0.18 -0.69 0.00 0.00 0.00 175.10 174.67 2i2c s VAL 138 N 1.42 1.84 -0.22 2.92 1.01 0.26 -0.64 120.40 127.00 2i2c s VAL 138 Ca 0.09 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 2i2c s VAL 138 Cb -0.15 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2i2c s VAL 138 CO 0.08 0.50 -0.05 -0.63 0.00 0.00 0.00 175.10 175.00 2i2c s ILE 139 N 1.30 3.37 -1.56 2.22 1.01 -0.02 -0.43 121.20 127.09 2i2c s ILE 139 Ca 0.03 -0.50 -0.06 0.00 0.00 0.00 0.00 60.65 60.13 2i2c s ILE 139 Cb -0.13 -2.53 0.05 0.00 0.01 0.00 0.00 42.46 39.86 2i2c s ILE 139 CO -0.10 0.43 0.34 0.59 0.00 0.00 0.00 174.94 176.20 2i2c n ASN 140 N 4.75 -0.48 0.00 3.58 3.02 -0.06 -1.28 115.26 124.79 2i2c n ASN 140 Ca -0.18 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.23 2i2c n ASN 140 Cb 0.51 -2.31 0.00 0.00 -0.61 0.00 0.00 39.78 37.37 2i2c n ASN 140 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2i2c n ASP 141 N -2.84 -0.78 -4.63 6.41 8.00 -1.26 -5.01 116.55 116.43 2i2c n ASP 141 Ca -0.21 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 54.95 2i2c n ASP 141 Cb 0.63 -0.73 -0.10 0.00 -0.02 0.00 0.00 41.12 40.90 2i2c n ASP 141 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2i2c s ILE 142 N -2.96 4.69 -0.08 0.53 -1.16 -0.40 -5.06 121.20 116.77 2i2c s ILE 142 Ca 0.00 -0.07 -0.30 0.00 -0.51 0.00 0.00 60.65 59.77 2i2c s ILE 142 Cb 0.00 -3.10 -0.05 0.00 0.61 0.00 0.00 42.46 39.92 2i2c s ILE 142 CO 0.00 0.48 1.68 -1.00 -2.81 0.00 0.00 174.94 173.28 2i2c s HIS 143 N 0.24 1.94 -0.27 3.50 3.76 -1.26 -0.84 115.29 122.37 2i2c s HIS 143 Ca 0.03 0.22 -0.11 0.00 -0.15 0.00 0.00 55.06 55.05 2i2c s HIS 143 Cb -0.12 -3.94 -0.14 0.00 1.11 0.00 0.00 32.58 29.49 2i2c s HIS 143 CO 0.01 -3.81 -0.28 0.34 -0.85 0.00 0.00 174.74 170.14 2i2c n PHE 144 N 7.44 0.09 -3.48 1.40 7.35 0.19 -4.94 117.46 125.51 2i2c n PHE 144 Ca 0.18 0.03 -0.14 0.00 -0.76 0.00 0.00 57.45 56.76 2i2c n PHE 144 Cb 0.43 -1.01 -0.04 0.00 0.35 0.00 0.00 39.48 39.21 2i2c n PHE 144 CO 0.00 0.00 0.00 -1.83 -0.76 0.00 0.00 176.76 174.17 2i2c s GLU 145 N -2.50 1.17 -0.39 -4.13 -1.05 -1.15 -5.01 118.70 105.64 2i2c s GLU 145 Ca -0.37 -0.22 -0.16 0.00 -0.15 0.00 0.00 54.97 54.07 2i2c s GLU 145 Cb 0.13 0.54 0.01 0.00 -0.44 0.00 0.00 34.13 34.37 2i2c s GLU 145 CO 0.52 -0.46 0.39 0.50 0.95 0.00 0.00 175.26 177.17 2i2c s ARG 146 N -2.78 3.29 -0.18 -4.83 3.52 -1.26 -0.24 118.95 116.46 2i2c s ARG 146 Ca -0.04 -0.64 -0.19 0.00 -0.13 0.00 0.00 55.73 54.74 2i2c s ARG 146 Cb -0.01 -3.90 -0.03 0.00 -1.56 0.00 0.00 34.95 29.45 2i2c s ARG 146 CO -0.04 -0.70 0.52 0.12 -0.81 0.00 0.00 175.30 174.38 2i2c s PHE 147 N 2.04 3.41 -0.03 5.12 2.19 0.10 -4.67 117.98 126.14 2i2c s PHE 147 Ca 0.11 0.81 0.06 0.00 0.33 0.00 0.00 56.93 58.24 2i2c s PHE 147 Cb -0.17 -2.65 -0.01 0.00 -1.31 0.00 0.00 43.02 38.88 2i2c s PHE 147 CO 0.12 -0.04 -0.21 1.03 1.83 0.00 0.00 175.22 177.95 2i2c s ARG 148 N 1.42 1.89 0.00 10.12 0.52 -1.26 -1.29 118.95 130.35 2i2c s ARG 148 Ca 0.25 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.71 2i2c s ARG 148 Cb -0.15 -1.73 0.00 0.00 0.52 0.00 0.00 34.95 33.58 2i2c s ARG 148 CO 0.10 0.39 0.00 0.41 0.02 0.00 0.00 175.30 176.22 2i2c n GLY 149 N 2.78 -0.32 0.10 -3.53 0.00 -1.09 -1.14 105.19 101.99 2i2c n GLY 149 Ca -0.16 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 2i2c n GLY 149 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2i2c h ASP 150 N 0.00 0.20 0.00 1.61 5.19 -1.21 -3.31 116.42 118.91 2i2c h ASP 150 Ca 0.00 -0.35 0.00 0.00 -0.62 0.00 0.00 57.03 56.06 2i2c h ASP 150 Cb 0.00 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.44 2i2c h ASP 150 CO 0.00 1.30 0.00 0.61 -3.12 0.00 0.00 179.24 178.03 2i2c n GLY 151 N 1.65 -2.08 3.12 2.75 0.00 -1.20 -4.29 105.19 105.13 2i2c n GLY 151 Ca -0.18 -1.22 -0.14 0.00 0.00 0.00 0.00 46.02 44.48 2i2c n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i2c s LEU 152 N 0.00 2.32 -0.06 0.99 1.43 -0.67 -0.99 118.68 121.71 2i2c s LEU 152 Ca 0.00 -0.68 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 2i2c s LEU 152 Cb 0.00 -0.23 0.02 0.00 0.03 0.00 0.00 46.19 46.01 2i2c s LEU 152 CO 0.00 -0.23 -0.07 0.00 0.23 0.00 0.00 176.35 176.28 2i2c s MET 154 N 0.98 3.11 0.00 0.00 1.75 0.11 -0.42 119.30 124.83 2i2c s MET 154 Ca -0.10 -0.80 0.03 0.00 -1.25 0.00 0.00 55.69 53.57 2i2c s MET 154 Cb -0.14 -2.99 -0.03 0.00 2.84 0.00 0.00 34.83 34.50 2i2c s MET 154 CO 0.00 -0.30 -0.06 0.45 -0.65 0.00 0.00 175.02 174.46 2i2c s SER 155 N 1.40 4.69 0.89 1.11 0.15 0.60 -1.28 113.70 121.26 2i2c s SER 155 Ca 0.03 -0.13 -0.12 0.00 0.70 0.00 0.00 55.95 56.43 2i2c s SER 155 Cb -0.15 -1.11 0.13 0.00 -1.71 0.00 0.00 66.02 63.17 2i2c s SER 155 CO -0.04 0.28 1.13 0.42 1.20 0.00 0.00 173.24 176.23 2i2c s THR 156 N -1.01 2.14 0.11 6.45 -4.23 -0.52 -0.91 115.64 117.68 2i2c s THR 156 Ca 0.17 0.05 -0.22 0.00 -1.18 0.00 0.00 61.69 60.51 2i2c s THR 156 Cb -0.11 -2.80 -0.07 0.00 1.34 0.00 0.00 72.50 70.85 2i2c s THR 156 CO 0.08 -0.06 1.70 -0.65 -0.54 0.00 0.00 174.62 175.14 2i2c h PRO 157 N -1.43 -0.12 0.00 3.99 0.11 -1.84 -2.26 132.00 130.46 2i2c h PRO 157 Ca -0.50 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 2i2c h PRO 157 Cb 1.32 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 2i2c h PRO 157 CO 0.62 -0.08 -0.29 0.66 -0.21 0.00 0.00 178.00 178.70 2i2c h SER 158 N -0.12 0.00 0.43 -2.05 4.64 -1.83 -1.60 113.55 113.01 2i2c h SER 158 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2i2c h SER 158 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2i2c h SER 158 CO -0.14 0.29 0.00 1.23 -0.87 0.00 0.00 176.83 177.34 2i2c h GLY 159 N 0.87 0.00 2.00 -0.77 0.00 -1.55 -3.31 103.07 100.31 2i2c h GLY 159 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2i2c h GLY 159 CO 0.04 0.00 -0.05 -0.91 0.00 0.00 0.00 176.54 175.62 2i2c h THR 160 N 0.00 0.22 -0.00 4.70 1.35 -0.72 -0.73 112.91 117.72 2i2c h THR 160 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2i2c h THR 160 Cb 0.21 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 2i2c h THR 160 CO 0.00 0.05 -0.04 0.35 -0.25 0.00 0.00 175.52 175.63 2i2c n THR 161 N -3.30 0.00 0.00 6.82 -2.24 -1.25 -2.11 114.28 112.21 2i2c n THR 161 Ca -0.01 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2i2c n THR 161 Cb 0.21 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 2i2c n THR 161 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i2c n ALA 162 N -1.16 0.00 -0.24 6.98 0.00 -0.28 -4.64 120.51 121.17 2i2c n ALA 162 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.63 2i2c n ALA 162 Cb 0.24 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.85 2i2c n ALA 162 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2i2c h TYR 163 N 0.00 0.12 -0.82 0.00 5.03 -1.88 -0.88 116.97 118.54 2i2c h TYR 163 Ca 0.00 0.05 0.19 0.00 2.58 0.00 0.00 58.73 61.55 2i2c h TYR 163 Cb 0.00 0.06 -0.15 0.00 1.55 0.00 0.00 36.73 38.19 2i2c h TYR 163 CO 0.00 -0.14 -0.02 -0.97 -1.32 0.00 0.00 178.16 175.71 2i2c h ASN 164 N 0.19 -0.44 -0.43 -2.11 -1.24 -1.79 -1.79 115.58 107.98 2i2c h ASN 164 Ca 0.39 0.22 -0.01 0.00 0.71 0.00 0.00 56.30 57.62 2i2c h ASN 164 Cb 0.66 0.40 -0.02 0.00 0.73 0.00 0.00 38.32 40.10 2i2c h ASN 164 CO -0.55 -0.23 0.24 0.50 -1.29 0.00 0.00 177.43 176.11 2i2c h LYS 165 N 0.07 0.59 -0.01 6.67 3.64 -0.60 -0.76 116.57 126.17 2i2c h LYS 165 Ca 0.45 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 2i2c h LYS 165 Cb 0.82 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 2i2c h LYS 165 CO -0.75 0.46 0.01 0.77 -2.27 0.00 0.00 179.45 177.67 2i2c h SER 166 N 0.56 0.00 -0.24 4.20 0.02 -1.24 -1.73 113.55 115.12 2i2c h SER 166 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2i2c h SER 166 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2i2c h SER 166 CO -0.03 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.84 2i2c n LEU 167 N -4.21 2.14 0.00 5.07 4.77 -0.93 -4.92 117.00 118.92 2i2c n LEU 167 Ca -0.03 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 2i2c n LEU 167 Cb 0.10 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2i2c n LEU 167 CO 0.31 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 2i2c n GLY 168 N 1.22 0.82 3.78 -0.72 0.00 -0.65 -4.75 105.19 104.88 2i2c n GLY 168 Ca 0.17 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2i2c n GLY 168 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i2c s GLY 169 N -2.02 1.66 0.44 -0.02 0.00 -0.34 -4.85 107.32 102.20 2i2c s GLY 169 Ca 0.00 0.14 -0.21 0.00 0.00 0.00 0.00 44.72 44.65 2i2c s GLY 169 CO 0.00 0.50 0.97 0.00 0.00 0.00 0.00 173.10 174.57 2i2c s ALA 170 N -2.96 3.00 -0.08 3.20 0.00 -1.26 -4.58 121.76 119.07 2i2c s ALA 170 Ca 0.61 0.46 -0.23 0.00 0.00 0.00 0.00 51.96 52.80 2i2c s ALA 170 Cb -0.16 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 2i2c s ALA 170 CO 0.56 0.01 0.71 -0.51 0.00 0.00 0.00 175.76 176.52 2i2c s LEU 171 N -3.23 4.29 -0.08 0.00 1.43 -1.26 -4.84 118.68 115.00 2i2c s LEU 171 Ca 0.63 1.17 0.05 0.00 -1.03 0.00 0.00 54.13 54.94 2i2c s LEU 171 Cb -0.11 -3.08 -0.01 0.00 0.03 0.00 0.00 46.19 43.01 2i2c s LEU 171 CO 0.15 -0.15 -0.23 -0.04 0.23 0.00 0.00 176.35 176.31 2i2c s MET 172 N 0.98 2.83 0.22 1.70 -1.94 -1.26 -5.10 119.30 116.73 2i2c s MET 172 Ca 0.37 -0.87 -0.32 0.00 -1.71 0.00 0.00 55.69 53.16 2i2c s MET 172 Cb -0.18 -2.27 -0.12 0.00 2.01 0.00 0.00 34.83 34.28 2i2c s MET 172 CO 0.17 0.29 1.71 -1.58 -0.01 0.00 0.00 175.02 175.60 2i2c s HIS 173 N 0.07 2.87 -1.56 -0.03 2.46 -1.26 -4.57 115.29 113.28 2i2c s HIS 173 Ca -0.10 0.39 0.10 0.00 0.47 0.00 0.00 55.06 55.92 2i2c s HIS 173 Cb -0.16 -4.14 0.54 0.00 -0.13 0.00 0.00 32.58 28.69 2i2c s HIS 173 CO 0.06 -4.26 1.18 -0.35 -2.47 0.00 0.00 174.74 168.90 2i2c n PRO 174 N 3.71 0.19 0.11 2.88 -0.04 -1.26 -1.65 135.00 138.94 2i2c n PRO 174 Ca 0.15 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.88 2i2c n PRO 174 Cb 0.35 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.77 2i2c n PRO 174 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2i2c n SER 175 N -1.22 0.67 -4.66 3.54 3.41 -1.26 -4.30 113.62 109.80 2i2c n SER 175 Ca 0.06 0.62 -0.41 0.00 -0.26 0.00 0.00 58.87 58.88 2i2c n SER 175 Cb 0.07 -0.78 -0.05 0.00 -0.26 0.00 0.00 64.21 63.19 2i2c n SER 175 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2i2c s ILE 176 N -3.21 4.97 -0.85 -1.33 1.01 -0.66 -5.00 121.20 116.14 2i2c s ILE 176 Ca 0.07 1.30 -0.22 0.00 0.00 0.00 0.00 60.65 61.80 2i2c s ILE 176 Cb 0.11 -4.00 0.08 0.00 0.01 0.00 0.00 42.46 38.66 2i2c s ILE 176 CO 0.47 0.06 1.20 -1.61 0.00 0.00 0.00 174.94 175.06 2i2c s GLU 177 N 2.13 3.39 0.24 2.79 2.02 -1.26 -4.79 118.70 123.22 2i2c s GLU 177 Ca 0.31 -1.08 -0.18 0.00 0.02 0.00 0.00 54.97 54.04 2i2c s GLU 177 Cb -0.16 -4.72 0.02 0.00 0.10 0.00 0.00 34.13 29.36 2i2c s GLU 177 CO 0.10 -1.97 0.59 0.00 0.02 0.00 0.00 175.26 174.00 2i2c s ALA 178 N 4.19 -0.87 0.09 5.21 0.00 -1.26 -2.84 121.76 126.29 2i2c s ALA 178 Ca 0.34 -0.42 0.05 0.00 0.00 0.00 0.00 51.96 51.93 2i2c s ALA 178 Cb -0.07 0.91 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 2i2c s ALA 178 CO -0.00 -0.91 -0.13 0.00 0.00 0.00 0.00 175.76 174.73 2i2c s MET 179 N -3.93 0.88 -0.08 0.00 0.23 -0.54 -4.16 119.30 111.69 2i2c s MET 179 Ca 0.13 -1.10 0.03 0.00 -1.03 0.00 0.00 55.69 53.72 2i2c s MET 179 Cb -0.03 -0.73 0.01 0.00 -1.53 0.00 0.00 34.83 32.55 2i2c s MET 179 CO 0.04 0.14 -0.16 -1.14 -2.03 0.00 0.00 175.02 171.87 2i2c s GLN 180 N -2.36 2.16 -0.26 3.16 0.74 -0.09 -0.55 119.66 122.47 2i2c s GLN 180 Ca 0.03 -0.56 -0.09 0.00 0.05 0.00 0.00 55.36 54.79 2i2c s GLN 180 Cb -0.06 -1.75 -0.04 0.00 1.10 0.00 0.00 33.01 32.26 2i2c s GLN 180 CO 0.02 0.04 0.13 -1.17 -0.55 0.00 0.00 175.29 173.76 2i2c s LEU 181 N 0.67 3.76 0.16 3.68 2.96 0.87 -0.29 118.68 130.47 2i2c s LEU 181 Ca -0.14 -0.08 0.10 0.00 -0.22 0.00 0.00 54.13 53.80 2i2c s LEU 181 Cb -0.16 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 2i2c s LEU 181 CO 0.04 -0.02 -0.21 0.42 -1.32 0.00 0.00 176.35 175.26 2i2c s THR 182 N 1.55 2.58 0.17 3.68 -4.23 0.44 -1.37 115.64 118.46 2i2c s THR 182 Ca 0.06 -1.78 -0.12 0.00 -1.18 0.00 0.00 61.69 58.67 2i2c s THR 182 Cb -0.15 -2.21 -0.07 0.00 1.34 0.00 0.00 72.50 71.41 2i2c s THR 182 CO 0.07 -0.01 0.53 -1.61 -0.54 0.00 0.00 174.62 173.06 2i2c s GLU 183 N -2.42 3.89 -0.28 3.99 2.02 -1.26 -1.31 118.70 123.33 2i2c s GLU 183 Ca 0.19 0.37 -0.05 0.00 0.02 0.00 0.00 54.97 55.51 2i2c s GLU 183 Cb -0.09 -2.82 0.02 0.00 0.10 0.00 0.00 34.13 31.33 2i2c s GLU 183 CO 0.10 0.42 0.02 -1.64 0.02 0.00 0.00 175.26 174.18 2i2c s MET 184 N -2.30 2.97 -1.25 1.61 -1.94 -0.16 -4.83 119.30 113.41 2i2c s MET 184 Ca 0.41 -0.92 -0.21 0.00 -1.71 0.00 0.00 55.69 53.26 2i2c s MET 184 Cb -0.13 -3.21 0.01 0.00 2.01 0.00 0.00 34.83 33.51 2i2c s MET 184 CO 0.20 -0.43 0.62 0.00 -0.01 0.00 0.00 175.02 175.40 2i2c n ALA 185 N 4.78 -2.45 -1.77 3.03 0.00 -1.26 -1.21 120.51 121.63 2i2c n ALA 185 Ca -0.15 -0.40 -0.38 0.00 0.00 0.00 0.00 53.44 52.51 2i2c n ALA 185 Cb 0.47 -2.85 -0.01 0.00 0.00 0.00 0.00 19.45 17.06 2i2c n ALA 185 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2i2c s SER 186 N -3.71 6.26 -0.20 0.00 1.04 -1.26 -3.54 113.70 112.28 2i2c s SER 186 Ca 0.37 2.47 -0.20 0.00 0.48 0.00 0.00 55.95 59.07 2i2c s SER 186 Cb -0.17 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.30 2i2c s SER 186 CO 0.92 -0.87 0.60 -0.63 0.98 0.00 0.00 173.24 174.24 2i2c s ILE 187 N -1.39 5.04 -0.14 -1.02 1.01 -0.29 -4.95 121.20 119.46 2i2c s ILE 187 Ca 0.60 1.11 -0.01 0.00 0.00 0.00 0.00 60.65 62.35 2i2c s ILE 187 Cb -0.33 -3.91 0.04 0.00 0.01 0.00 0.00 42.46 38.26 2i2c s ILE 187 CO 0.42 0.12 -0.02 0.20 0.00 0.00 0.00 174.94 175.66 2i2c s ASN 188 N 1.22 2.43 0.00 3.58 0.01 -1.26 -4.37 114.94 116.55 2i2c s ASN 188 Ca 0.27 -0.50 0.00 0.00 -0.71 0.00 0.00 52.86 51.92 2i2c s ASN 188 Cb -0.16 -0.69 0.00 0.00 0.41 0.00 0.00 41.25 40.81 2i2c s ASN 188 CO 0.10 -0.21 0.00 -0.46 -1.51 0.00 0.00 177.10 175.02 2i2c n ASN 189 N 5.00 0.00 0.18 -1.22 0.23 -0.14 -4.98 115.26 114.33 2i2c n ASN 189 Ca -0.10 -0.64 0.06 0.00 -0.53 0.00 0.00 54.58 53.37 2i2c n ASN 189 Cb 0.48 0.00 0.53 0.00 -2.08 0.00 0.00 39.78 38.71 2i2c n ASN 189 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 2i2c h ARG 190 N 0.00 0.14 0.00 -3.83 0.11 -2.05 -3.24 114.38 105.51 2i2c h ARG 190 Ca 0.00 -0.02 -0.36 0.00 0.10 0.00 0.00 59.98 59.70 2i2c h ARG 190 Cb 0.00 -0.03 -0.07 0.00 1.11 0.00 0.00 29.97 30.99 2i2c h ARG 190 CO 0.00 0.17 -2.32 1.33 0.10 0.00 0.00 179.97 179.25 2i2c n VAL 191 N -4.44 1.44 -4.18 0.08 0.24 -1.26 -4.94 118.33 105.27 2i2c n VAL 191 Ca -0.01 -0.81 -0.34 0.00 -2.04 0.00 0.00 64.34 61.13 2i2c n VAL 191 Cb 0.15 -0.68 -0.11 0.00 -1.47 0.00 0.00 33.84 31.72 2i2c n VAL 191 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2i2c s TYR 192 N -2.51 3.10 -0.04 6.34 2.02 -1.22 -5.10 117.35 119.93 2i2c s TYR 192 Ca -0.13 -0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.35 2i2c s TYR 192 Cb 0.07 -2.03 0.02 0.00 -0.40 0.00 0.00 41.96 39.62 2i2c s TYR 192 CO 0.80 -0.04 -0.03 1.03 -1.57 0.00 0.00 175.55 175.74 2i2c s ARG 193 N 0.56 0.71 0.35 -0.62 0.52 -1.26 -0.96 118.95 118.24 2i2c s ARG 193 Ca -0.00 -0.06 0.07 0.00 -0.52 0.00 0.00 55.73 55.22 2i2c s ARG 193 Cb -0.14 -0.77 -0.07 0.00 0.52 0.00 0.00 34.95 34.49 2i2c s ARG 193 CO 0.02 -0.10 -0.03 0.95 0.02 0.00 0.00 175.30 176.16 2i2c s THR 194 N 0.99 1.84 0.39 0.02 -4.23 -1.26 -4.50 115.64 108.89 2i2c s THR 194 Ca -0.10 -2.08 0.08 0.00 -1.18 0.00 0.00 61.69 58.41 2i2c s THR 194 Cb -0.14 -2.74 0.19 0.00 1.34 0.00 0.00 72.50 71.15 2i2c s THR 194 CO -0.01 -0.12 1.96 -0.29 -0.54 0.00 0.00 174.62 175.62 2i2c h ILE 195 N 2.01 1.15 -2.12 2.99 6.09 -1.96 -3.47 117.51 122.20 2i2c h ILE 195 Ca -0.42 -0.58 -0.32 0.00 -1.37 0.00 0.00 64.86 62.17 2i2c h ILE 195 Cb 1.24 0.96 -0.08 0.00 0.47 0.00 0.00 36.82 39.41 2i2c h ILE 195 CO 0.73 0.20 -0.34 0.61 -3.07 0.00 0.00 178.15 176.28 2i2c n GLY 196 N -1.07 0.73 3.28 8.18 0.00 -1.26 -4.99 105.19 110.06 2i2c n GLY 196 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 2i2c n GLY 196 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2i2c s SER 197 N -2.22 2.34 0.67 1.61 0.01 -1.26 -5.10 113.70 109.74 2i2c s SER 197 Ca 0.00 -0.79 -0.17 0.00 1.31 0.00 0.00 55.95 56.30 2i2c s SER 197 Cb 0.00 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2i2c s SER 197 CO 0.00 -0.06 1.22 -2.84 0.41 0.00 0.00 173.24 171.97 2i2c s PRO 198 N -2.51 2.51 -0.07 12.44 0.02 -1.26 -4.84 135.00 141.29 2i2c s PRO 198 Ca 0.10 1.81 0.04 0.00 0.02 0.00 0.00 61.00 62.97 2i2c s PRO 198 Cb -0.07 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.58 2i2c s PRO 198 CO 0.05 -1.56 -0.19 -0.51 -0.33 0.00 0.00 177.00 174.45 2i2c s LEU 199 N -4.65 1.93 -0.23 -5.54 1.43 -0.47 -4.96 118.68 106.19 2i2c s LEU 199 Ca 0.76 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 53.39 2i2c s LEU 199 Cb -0.30 -1.15 -0.00 0.00 0.03 0.00 0.00 46.19 44.76 2i2c s LEU 199 CO 0.40 0.14 -0.03 -0.69 0.23 0.00 0.00 176.35 176.39 2i2c s VAL 200 N 0.29 3.37 -0.10 -1.59 1.01 -1.26 -0.09 120.40 122.03 2i2c s VAL 200 Ca -0.12 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 2i2c s VAL 200 Cb -0.15 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 2i2c s VAL 200 CO 0.05 0.38 -0.03 -0.36 0.00 0.00 0.00 175.10 175.15 2i2c s PHE 201 N 1.47 3.07 0.90 5.22 0.40 0.28 -4.98 117.98 124.34 2i2c s PHE 201 Ca 0.05 0.01 -0.14 0.00 -0.60 0.00 0.00 56.93 56.25 2i2c s PHE 201 Cb -0.15 -1.82 0.14 0.00 0.51 0.00 0.00 43.02 41.70 2i2c s PHE 201 CO -0.03 0.29 1.22 -1.25 0.70 0.00 0.00 175.22 176.15 2i2c s PRO 202 N -0.48 1.20 0.42 0.24 0.04 -1.26 -1.47 135.00 133.69 2i2c s PRO 202 Ca 0.08 -0.07 -0.24 0.00 0.04 0.00 0.00 61.00 60.81 2i2c s PRO 202 Cb -0.12 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 2i2c s PRO 202 CO 0.02 -2.09 0.99 1.63 0.04 0.00 0.00 177.00 177.59 2i2c n LYS 203 N -3.62 1.30 0.00 4.56 5.02 -1.13 -2.91 118.16 121.38 2i2c n LYS 203 Ca 0.11 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 2i2c n LYS 203 Cb 0.60 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 2i2c n LYS 203 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2i2c n HIS 204 N -0.54 0.00 -2.56 2.13 8.25 -1.26 -5.00 115.22 116.24 2i2c n HIS 204 Ca 0.10 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.15 2i2c n HIS 204 Cb 0.39 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.46 2i2c n HIS 204 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2i2c s HIS 205 N -2.52 3.69 -0.14 4.41 3.76 -1.15 -5.05 115.29 118.30 2i2c s HIS 205 Ca 0.00 1.74 0.02 0.00 -0.15 0.00 0.00 55.06 56.67 2i2c s HIS 205 Cb 0.00 -3.20 0.00 0.00 1.11 0.00 0.00 32.58 30.49 2i2c s HIS 205 CO 0.00 -0.28 -0.19 0.08 -0.85 0.00 0.00 174.74 173.49 2i2c s VAL 206 N -1.01 2.33 -0.21 -0.90 1.01 -1.26 -4.53 120.40 115.83 2i2c s VAL 206 Ca 0.44 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 2i2c s VAL 206 Cb -0.30 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 2i2c s VAL 206 CO 0.38 0.54 -0.02 -0.69 0.00 0.00 0.00 175.10 175.30 2i2c s VAL 207 N 0.72 3.68 -0.10 2.92 1.01 -0.61 -0.88 120.40 127.14 2i2c s VAL 207 Ca -0.08 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.52 2i2c s VAL 207 Cb -0.16 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 2i2c s VAL 207 CO 0.01 0.42 -0.19 -0.55 0.00 0.00 0.00 175.10 174.79 2i2c s SER 208 N 1.21 3.53 -0.19 3.32 0.15 0.43 -0.14 113.70 122.02 2i2c s SER 208 Ca 0.03 -0.43 -0.07 0.00 0.70 0.00 0.00 55.95 56.18 2i2c s SER 208 Cb -0.14 -1.39 -0.04 0.00 -1.71 0.00 0.00 66.02 62.74 2i2c s SER 208 CO 0.00 0.18 0.05 -0.76 1.20 0.00 0.00 173.24 173.91 2i2c s LEU 209 N 0.21 3.66 -0.11 3.45 1.43 0.12 -0.57 118.68 126.87 2i2c s LEU 209 Ca -0.12 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 2i2c s LEU 209 Cb -0.16 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.14 2i2c s LEU 209 CO 0.06 0.13 -0.17 -1.10 0.23 0.00 0.00 176.35 175.50 2i2c s GLN 210 N 0.61 2.46 0.51 1.70 -0.21 -0.44 -1.21 119.66 123.07 2i2c s GLN 210 Ca 0.02 -0.65 -0.22 0.00 0.02 0.00 0.00 55.36 54.53 2i2c s GLN 210 Cb -0.13 -2.03 -0.07 0.00 1.00 0.00 0.00 33.01 31.77 2i2c s GLN 210 CO 0.02 -0.02 1.09 -0.35 -2.12 0.00 0.00 175.29 173.90 2i2c n PRO 211 N 4.09 1.32 -0.10 2.91 -0.04 -1.26 -0.94 135.00 140.97 2i2c n PRO 211 Ca -0.19 0.49 -0.14 0.00 -0.04 0.00 0.00 63.50 63.61 2i2c n PRO 211 Cb 0.51 -2.23 -0.10 0.00 -0.04 0.00 0.00 33.50 31.65 2i2c n PRO 211 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2i2c n VAL 212 N -1.02 1.21 0.00 0.52 0.31 -1.22 -4.78 118.33 113.35 2i2c n VAL 212 Ca 0.11 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 2i2c n VAL 212 Cb 0.43 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 2i2c n VAL 212 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2i2c n ASN 213 N -3.08 0.00 -2.33 4.52 5.03 -1.26 -5.04 115.26 113.09 2i2c n ASN 213 Ca -0.37 0.00 -0.07 0.00 0.87 0.00 0.00 54.58 55.01 2i2c n ASN 213 Cb 0.91 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 39.68 2i2c n ASN 213 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2i2c n ASP 214 N 0.00 -4.03 -0.86 6.41 4.64 -1.26 -4.99 116.55 116.46 2i2c n ASP 214 Ca 0.00 0.16 0.08 0.00 -1.38 0.00 0.00 54.79 53.65 2i2c n ASP 214 Cb 0.00 -1.01 0.19 0.00 -1.04 0.00 0.00 41.12 39.26 2i2c n ASP 214 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 2i2c n LYS 215 N 0.71 2.56 -3.91 -0.67 5.02 -1.26 -4.77 118.16 115.83 2i2c n LYS 215 Ca -0.02 -2.14 -0.35 0.00 -2.02 0.00 0.00 58.31 53.78 2i2c n LYS 215 Cb 0.35 -1.37 -0.10 0.00 -0.02 0.00 0.00 35.03 33.90 2i2c n LYS 215 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2i2c s ASP 216 N -1.05 5.74 0.00 4.39 1.01 -1.26 -0.84 116.67 124.66 2i2c s ASP 216 Ca 0.30 0.09 0.01 0.00 0.71 0.00 0.00 52.55 53.66 2i2c s ASP 216 Cb 0.16 -2.00 -0.01 0.00 1.01 0.00 0.00 42.92 42.09 2i2c s ASP 216 CO 0.22 0.15 -0.03 -0.36 0.21 0.00 0.00 175.17 175.36 2i2c s PHE 217 N 0.53 0.25 -0.35 4.23 0.08 -0.60 -3.09 117.98 119.02 2i2c s PHE 217 Ca 0.04 -0.14 -0.22 0.00 0.12 0.00 0.00 56.93 56.74 2i2c s PHE 217 Cb -0.12 -0.16 0.01 0.00 -0.57 0.00 0.00 43.02 42.17 2i2c s PHE 217 CO 0.01 -0.03 0.73 -1.14 -0.10 0.00 0.00 175.22 174.68 2i2c s GLN 218 N -0.35 3.75 -0.15 0.44 2.00 0.04 -0.73 119.66 124.66 2i2c s GLN 218 Ca -0.02 0.25 -0.01 0.00 -2.00 0.00 0.00 55.36 53.58 2i2c s GLN 218 Cb -0.03 -3.80 -0.01 0.00 0.80 0.00 0.00 33.01 29.98 2i2c s GLN 218 CO -0.00 -0.78 -0.13 0.42 -0.50 0.00 0.00 175.29 174.30 2i2c s ILE 219 N 2.93 2.96 -0.02 -2.34 1.01 0.06 -1.14 121.20 124.65 2i2c s ILE 219 Ca 0.29 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 2i2c s ILE 219 Cb -0.14 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 2i2c s ILE 219 CO 0.15 0.51 0.06 -0.94 0.00 0.00 0.00 174.94 174.72 2i2c s SER 220 N 0.68 5.57 -0.26 3.58 1.04 -0.50 -0.67 113.70 123.14 2i2c s SER 220 Ca -0.06 0.14 -0.01 0.00 0.48 0.00 0.00 55.95 56.49 2i2c s SER 220 Cb -0.15 -1.59 0.08 0.00 0.10 0.00 0.00 66.02 64.46 2i2c s SER 220 CO 0.02 0.29 0.06 -0.69 0.98 0.00 0.00 173.24 173.91 2i2c s VAL 221 N -1.13 0.79 0.00 5.02 1.01 0.92 -1.50 120.40 125.52 2i2c s VAL 221 Ca 0.21 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2i2c s VAL 221 Cb -0.12 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.82 2i2c s VAL 221 CO 0.11 -0.46 0.00 0.47 0.00 0.00 0.00 175.10 175.22 2i2c n ASP 222 N 4.91 0.00 0.15 3.32 8.00 0.13 -1.63 116.55 131.43 2i2c n ASP 222 Ca -0.06 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.46 2i2c n ASP 222 Cb 0.44 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.74 2i2c n ASP 222 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 2i2c h HIS 223 N 0.00 0.00 -3.24 1.24 2.76 -1.96 -3.45 115.15 110.50 2i2c h HIS 223 Ca 0.00 0.00 -0.53 0.00 -2.20 0.00 0.00 60.37 57.64 2i2c h HIS 223 Cb 0.00 0.00 0.03 0.00 1.55 0.00 0.00 27.41 28.99 2i2c h HIS 223 CO 0.00 0.54 0.69 -1.17 -1.30 0.00 0.00 177.93 176.69 2i2c s LEU 224 N -7.19 4.40 -0.06 0.26 1.98 -0.65 -5.03 118.68 112.38 2i2c s LEU 224 Ca -0.00 2.40 -0.01 0.00 -2.89 0.00 0.00 54.13 53.64 2i2c s LEU 224 Cb 0.11 -3.60 0.03 0.00 0.66 0.00 0.00 46.19 43.39 2i2c s LEU 224 CO 0.73 -0.59 -0.01 -0.55 -1.89 0.00 0.00 176.35 174.04 2i2c s SER 225 N 0.62 1.31 -0.01 3.68 0.15 -1.26 -0.06 113.70 118.14 2i2c s SER 225 Ca 0.60 -0.09 0.03 0.00 0.70 0.00 0.00 55.95 57.19 2i2c s SER 225 Cb -0.37 -0.42 -0.00 0.00 -1.71 0.00 0.00 66.02 63.51 2i2c s SER 225 CO 0.36 -0.15 -0.09 -0.63 1.20 0.00 0.00 173.24 173.93 2i2c s ILE 226 N 1.63 0.73 -0.36 6.45 1.01 0.16 -4.97 121.20 125.85 2i2c s ILE 226 Ca -0.00 -0.38 -0.27 0.00 0.00 0.00 0.00 60.65 60.00 2i2c s ILE 226 Cb -0.13 -0.63 0.02 0.00 0.01 0.00 0.00 42.46 41.73 2i2c s ILE 226 CO -0.04 0.21 0.98 -0.22 0.00 0.00 0.00 174.94 175.88 2i2c s LEU 227 N -0.12 3.95 -0.18 2.97 2.96 -1.26 -0.76 118.68 126.24 2i2c s LEU 227 Ca 0.02 0.72 -0.09 0.00 -0.22 0.00 0.00 54.13 54.57 2i2c s LEU 227 Cb -0.05 -3.36 -0.05 0.00 0.50 0.00 0.00 46.19 43.24 2i2c s LEU 227 CO -0.00 -0.88 0.10 -1.00 -1.32 0.00 0.00 176.35 173.25 2i2c s HIS 228 N 3.57 3.36 0.10 5.38 3.76 0.09 -4.99 115.29 126.56 2i2c s HIS 228 Ca 0.41 0.25 0.04 0.00 -0.15 0.00 0.00 55.06 55.60 2i2c s HIS 228 Cb -0.12 -2.10 -0.04 0.00 1.11 0.00 0.00 32.58 31.43 2i2c s HIS 228 CO 0.18 0.28 0.07 1.03 -0.85 0.00 0.00 174.74 175.45 2i2c s ARG 229 N 0.22 2.81 -1.31 1.40 0.52 -1.26 -1.56 118.95 119.77 2i2c s ARG 229 Ca 0.07 -0.76 -0.02 0.00 -0.52 0.00 0.00 55.73 54.51 2i2c s ARG 229 Cb -0.12 -2.67 0.01 0.00 0.52 0.00 0.00 34.95 32.69 2i2c s ARG 229 CO -0.01 0.55 0.80 -3.47 0.02 0.00 0.00 175.30 173.19 2i2c n ASP 230 N 0.35 -1.84 -4.73 0.23 2.03 -1.17 -4.84 116.55 106.58 2i2c n ASP 230 Ca -0.09 -0.77 -0.41 0.00 0.52 0.00 0.00 54.79 54.04 2i2c n ASP 230 Cb 0.52 -4.28 -0.04 0.00 -0.72 0.00 0.00 41.12 36.60 2i2c n ASP 230 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2i2c s VAL 231 N -3.57 4.32 -0.17 5.18 1.01 -0.02 -1.45 120.40 125.70 2i2c s VAL 231 Ca 0.08 1.89 0.18 0.00 0.00 0.00 0.00 61.98 64.13 2i2c s VAL 231 Cb -0.04 -4.21 -0.26 0.00 0.00 0.00 0.00 36.38 31.88 2i2c s VAL 231 CO 0.79 0.27 0.12 0.00 0.00 0.00 0.00 175.10 176.29 2i2c n GLN 232 N 2.91 0.73 -3.62 2.72 0.00 0.31 -4.76 117.38 115.67 2i2c n GLN 232 Ca 0.03 -0.04 -0.12 0.00 0.00 0.00 0.00 57.00 56.88 2i2c n GLN 232 Cb 0.48 -1.51 -0.07 0.00 0.00 0.00 0.00 30.24 29.14 2i2c n GLN 232 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2i2c s GLU 233 N -2.62 0.69 -0.13 2.61 2.12 -1.09 -4.41 118.70 115.88 2i2c s GLU 233 Ca -0.10 0.71 0.02 0.00 0.36 0.00 0.00 54.97 55.96 2i2c s GLU 233 Cb 0.07 0.34 -0.00 0.00 0.26 0.00 0.00 34.13 34.80 2i2c s GLU 233 CO 0.83 -0.11 -0.19 0.42 -0.54 0.00 0.00 175.26 175.67 2i2c s ILE 234 N 0.09 2.43 -0.10 -3.70 1.01 -0.35 -0.91 121.20 119.67 2i2c s ILE 234 Ca 0.00 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.81 2i2c s ILE 234 Cb -0.04 -1.98 0.01 0.00 0.01 0.00 0.00 42.46 40.45 2i2c s ILE 234 CO -0.01 0.54 -0.17 -0.60 0.00 0.00 0.00 174.94 174.69 2i2c s ARG 235 N 0.56 2.39 -0.05 2.79 3.52 0.10 0.16 118.95 128.43 2i2c s ARG 235 Ca -0.11 -0.63 0.04 0.00 -0.13 0.00 0.00 55.73 54.90 2i2c s ARG 235 Cb -0.16 -1.95 -0.02 0.00 -1.56 0.00 0.00 34.95 31.26 2i2c s ARG 235 CO 0.04 0.01 -0.17 0.71 -0.81 0.00 0.00 175.30 175.08 2i2c s TYR 236 N 0.77 2.61 0.04 5.12 2.02 0.81 -0.51 117.35 128.21 2i2c s TYR 236 Ca -0.11 -0.28 -0.27 0.00 -0.37 0.00 0.00 57.07 56.04 2i2c s TYR 236 Cb -0.16 -1.61 0.07 0.00 -0.40 0.00 0.00 41.96 39.86 2i2c s TYR 236 CO 0.02 0.09 0.63 -1.83 -1.57 0.00 0.00 175.55 172.89 2i2c s GLU 237 N -0.61 1.14 0.11 -0.62 -1.05 -0.95 -1.57 118.70 115.16 2i2c s GLU 237 Ca 0.09 -0.08 -0.31 0.00 -0.15 0.00 0.00 54.97 54.52 2i2c s GLU 237 Cb -0.11 0.53 -0.09 0.00 -0.44 0.00 0.00 34.13 34.02 2i2c s GLU 237 CO 0.01 -0.42 1.68 0.08 0.95 0.00 0.00 175.26 177.55 2i2c s VAL 238 N -2.32 2.75 0.65 1.83 1.01 -1.26 -0.70 120.40 122.36 2i2c s VAL 238 Ca -0.06 0.34 -0.17 0.00 0.00 0.00 0.00 61.98 62.10 2i2c s VAL 238 Cb -0.00 -3.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.15 2i2c s VAL 238 CO -0.00 0.01 1.19 -0.55 0.00 0.00 0.00 175.10 175.75 2i2c s SER 239 N 2.08 4.83 0.45 3.32 0.15 -0.09 -4.73 113.70 119.70 2i2c s SER 239 Ca 0.75 2.32 0.25 0.00 0.70 0.00 0.00 55.95 59.97 2i2c s SER 239 Cb -0.43 -2.59 0.80 0.00 -1.71 0.00 0.00 66.02 62.10 2i2c s SER 239 CO 0.33 -1.83 1.77 0.00 1.20 0.00 0.00 173.24 174.71 2i2c h ALA 240 N 0.34 0.96 -2.22 5.45 0.00 -1.93 -3.43 119.26 118.44 2i2c h ALA 240 Ca -0.49 -0.14 -0.47 0.00 0.00 0.00 0.00 54.91 53.81 2i2c h ALA 240 Cb 1.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2i2c h ALA 240 CO 0.53 0.19 0.23 0.15 0.00 0.00 0.00 179.25 180.35 2i2c s LYS 241 N -3.47 4.00 0.05 0.00 1.02 -1.26 -5.07 119.74 115.01 2i2c s LYS 241 Ca 0.03 0.81 0.03 0.00 0.02 0.00 0.00 55.97 56.86 2i2c s LYS 241 Cb 0.08 -2.29 -0.03 0.00 -0.52 0.00 0.00 37.83 35.08 2i2c s LYS 241 CO 0.63 -0.04 -0.09 0.15 -0.92 0.00 0.00 175.35 175.08 2i2c s LYS 242 N -3.48 0.60 0.03 1.68 1.02 -1.26 -3.78 119.74 114.55 2i2c s LYS 242 Ca 0.57 -0.82 -0.21 0.00 0.02 0.00 0.00 55.97 55.53 2i2c s LYS 242 Cb -0.10 -0.41 -0.06 0.00 -0.52 0.00 0.00 37.83 36.74 2i2c s LYS 242 CO 0.23 0.08 0.61 -1.50 -0.92 0.00 0.00 175.35 173.85 2i2c s ILE 243 N -1.41 4.82 -0.17 2.17 2.07 -0.91 -4.70 121.20 123.07 2i2c s ILE 243 Ca -0.08 1.29 -0.05 0.00 -1.41 0.00 0.00 60.65 60.41 2i2c s ILE 243 Cb -0.10 -3.95 -0.03 0.00 0.13 0.00 0.00 42.46 38.51 2i2c s ILE 243 CO 0.01 0.46 -0.01 -1.00 -1.91 0.00 0.00 174.94 172.49 2i2c s HIS 244 N -0.47 3.08 -0.02 3.50 3.76 -1.26 -1.33 115.29 122.56 2i2c s HIS 244 Ca 0.31 -0.23 -0.00 0.00 -0.15 0.00 0.00 55.06 54.99 2i2c s HIS 244 Cb -0.19 -2.01 -0.04 0.00 1.11 0.00 0.00 32.58 31.45 2i2c s HIS 244 CO 0.19 -0.03 0.06 -0.06 -0.85 0.00 0.00 174.74 174.05 2i2c s PHE 245 N 0.48 3.24 -0.23 1.40 0.08 0.14 -0.55 117.98 122.53 2i2c s PHE 245 Ca -0.01 0.19 -0.19 0.00 0.12 0.00 0.00 56.93 57.04 2i2c s PHE 245 Cb -0.14 -1.74 -0.03 0.00 -0.57 0.00 0.00 43.02 40.55 2i2c s PHE 245 CO 0.02 0.53 0.55 0.00 -0.10 0.00 0.00 175.22 176.22 2i2c s ALA 246 N -1.13 3.58 0.01 5.36 0.00 -0.59 -1.45 121.76 127.53 2i2c s ALA 246 Ca 0.21 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 2i2c s ALA 246 Cb -0.12 -2.90 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 2i2c s ALA 246 CO 0.11 -0.64 0.02 1.03 0.00 0.00 0.00 175.76 176.29 2i2c s ARG 247 N 2.09 0.30 0.00 0.00 1.81 -0.94 -4.84 118.95 117.37 2i2c s ARG 247 Ca 0.24 -0.45 0.00 0.00 -1.72 0.00 0.00 55.73 53.80 2i2c s ARG 247 Cb -0.16 0.12 0.00 0.00 -0.45 0.00 0.00 34.95 34.46 2i2c s ARG 247 CO 0.09 -0.06 0.00 1.19 -0.68 0.00 0.00 175.30 175.85 2i2c n PHE 248 N 1.82 0.00 -3.58 -0.53 0.99 -1.26 0.21 117.46 115.11 2i2c n PHE 248 Ca -0.22 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.14 2i2c n PHE 248 Cb 0.56 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 39.02 2i2c n PHE 248 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 2i2c s ARG 249 N 0.00 1.28 -0.00 -1.08 1.70 -1.26 -4.99 118.95 114.60 2i2c s ARG 249 Ca 0.00 -0.57 -0.30 0.00 -0.47 0.00 0.00 55.73 54.39 2i2c s ARG 249 Cb 0.00 0.52 -0.06 0.00 -0.57 0.00 0.00 34.95 34.85 2i2c s ARG 249 CO 0.00 -0.57 1.46 0.45 -1.08 0.00 0.00 175.30 175.56 2i2c s SER 250 N -2.75 6.80 -0.44 -2.89 0.15 -1.26 -4.93 113.70 108.37 2i2c s SER 250 Ca 0.06 2.16 0.05 0.00 0.70 0.00 0.00 55.95 58.92 2i2c s SER 250 Cb -0.02 -2.56 0.18 0.00 -1.71 0.00 0.00 66.02 61.91 2i2c s SER 250 CO -0.06 -0.77 0.46 0.33 1.20 0.00 0.00 173.24 174.40 2i2c n PHE 251 N 5.68 -1.82 -1.68 3.44 7.35 -1.26 -5.15 117.46 124.03 2i2c n PHE 251 Ca 0.14 -2.72 -0.40 0.00 -0.76 0.00 0.00 57.45 53.72 2i2c n PHE 251 Cb 0.43 0.63 0.03 0.00 0.35 0.00 0.00 39.48 40.92 2i2c n PHE 251 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2i2c n PRO 252 N 2.85 1.54 -0.23 -7.13 -0.02 -1.26 -4.75 135.00 126.00 2i2c n PRO 252 Ca 0.26 0.56 0.04 0.00 -2.02 0.00 0.00 63.50 62.34 2i2c n PRO 252 Cb 0.50 -2.32 0.16 0.00 -0.02 0.00 0.00 33.50 31.82 2i2c n PRO 252 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2i2c h PHE 253 N 1.47 0.21 -0.21 6.00 3.57 -2.01 -0.69 116.94 125.28 2i2c h PHE 253 Ca -0.48 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.00 2i2c h PHE 253 Cb 1.32 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 2i2c h PHE 253 CO 0.44 -0.09 -0.15 -1.49 -2.23 0.00 0.00 178.31 174.79 2i2c h TRP 254 N 0.24 0.37 -0.51 0.41 -0.00 -1.99 0.15 115.95 114.62 2i2c h TRP 254 Ca 0.39 -0.05 -0.11 0.00 -0.00 0.00 0.00 58.89 59.11 2i2c h TRP 254 Cb 0.64 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.16 29.69 2i2c h TRP 254 CO -0.28 0.49 -0.12 -0.09 -0.00 0.00 0.00 178.44 178.44 2i2c h ARG 255 N 0.33 0.99 -0.59 0.49 2.43 -1.66 0.41 114.38 116.78 2i2c h ARG 255 Ca 0.06 -0.38 0.01 0.00 -0.81 0.00 0.00 59.98 58.87 2i2c h ARG 255 Cb 0.46 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 2i2c h ARG 255 CO 0.03 1.05 0.38 -0.09 -1.51 0.00 0.00 179.97 179.83 2i2c h ARG 256 N 0.85 0.74 -0.40 0.20 2.43 -0.30 0.13 114.38 118.03 2i2c h ARG 256 Ca 0.13 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2i2c h ARG 256 Cb 0.69 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 2i2c h ARG 256 CO 0.05 0.49 0.17 0.28 -1.51 0.00 0.00 179.97 179.44 2i2c h VAL 257 N 0.76 1.19 -0.04 0.20 2.07 -0.89 -1.80 116.25 117.74 2i2c h VAL 257 Ca 0.22 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.17 2i2c h VAL 257 Cb -0.05 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 2i2c h VAL 257 CO -0.07 0.22 -0.10 -0.74 0.02 0.00 0.00 177.57 176.90 2i2c h HIS 258 N 0.51 -0.24 -0.08 1.57 -0.00 -0.45 -1.24 115.15 115.21 2i2c h HIS 258 Ca 0.14 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.50 2i2c h HIS 258 Cb 0.18 0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.70 2i2c h HIS 258 CO -0.00 -0.15 -0.02 -0.44 -0.00 0.00 0.00 177.93 177.33 2i2c h ASP 259 N -0.15 0.10 0.83 3.26 3.32 -0.68 0.24 116.42 123.35 2i2c h ASP 259 Ca 0.05 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.90 2i2c h ASP 259 Cb 0.22 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2i2c h ASP 259 CO -0.13 0.15 -1.26 0.28 -1.72 0.00 0.00 179.24 176.55 2i2c h SER 260 N 0.12 0.00 0.00 6.45 0.02 -0.99 -3.36 113.55 115.78 2i2c h SER 260 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2i2c h SER 260 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2i2c h SER 260 CO 0.00 0.72 -0.90 0.49 -1.14 0.00 0.00 176.83 176.00 2i2c n PHE 261 N -3.04 0.00 -0.08 3.45 3.01 -0.50 -4.92 117.46 115.38 2i2c n PHE 261 Ca -0.08 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.30 2i2c n PHE 261 Cb 0.88 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.33 2i2c n PHE 261 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2i2c n ILE 262 N -1.65 1.38 -3.62 4.37 2.08 0.02 -5.07 119.36 116.87 2i2c n ILE 262 Ca 0.00 0.17 -0.05 0.00 0.56 0.00 0.00 62.75 63.44 2i2c n ILE 262 Cb 0.27 -2.29 -0.04 0.00 -0.75 0.00 0.00 39.64 36.83 2i2c n ILE 262 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2i2c s GLU 263 N -2.71 0.25 0.00 0.38 1.03 -0.89 -5.05 118.70 111.71 2i2c s GLU 263 Ca -0.26 0.03 0.00 0.00 0.03 0.00 0.00 54.97 54.77 2i2c s GLU 263 Cb 0.04 0.12 0.00 0.00 -0.80 0.00 0.00 34.13 33.48 2i2c s GLU 263 CO 0.38 -0.08 0.00 -3.47 -1.33 0.00 0.00 175.26 170.76