#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iah s TYR 3 N 0.00 3.24 -0.63 -1.40 5.04 -1.26 -5.01 117.35 117.33 3iah s TYR 3 Ca 0.00 -0.66 0.05 0.00 -2.44 0.00 0.00 57.07 54.02 3iah s TYR 3 Cb 0.00 -2.56 0.17 0.00 0.35 0.00 0.00 41.96 39.91 3iah s TYR 3 CO 0.00 -0.60 0.44 -0.65 -1.34 0.00 0.00 175.55 173.40 3iah s GLN 4 N 1.66 2.11 0.79 4.97 -0.21 -1.26 -4.86 119.66 122.86 3iah s GLN 4 Ca 0.04 -3.03 -0.11 0.00 0.02 0.00 0.00 55.36 52.28 3iah s GLN 4 Cb -0.19 -3.02 0.07 0.00 1.00 0.00 0.00 33.01 30.87 3iah s GLN 4 CO 0.09 -1.29 1.09 -1.25 -2.12 0.00 0.00 175.29 171.81 3iah s PRO 5 N -1.05 2.12 0.72 2.91 0.04 -1.26 -5.01 135.00 133.48 3iah s PRO 5 Ca 0.25 0.98 -0.15 0.00 0.04 0.00 0.00 61.00 62.13 3iah s PRO 5 Cb -0.05 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.63 3iah s PRO 5 CO -0.16 -1.68 1.18 0.15 0.04 0.00 0.00 177.00 176.54 3iah s LYS 6 N -4.97 2.26 0.22 4.56 1.02 -1.26 -4.89 119.74 116.69 3iah s LYS 6 Ca 0.61 1.67 0.19 0.00 0.02 0.00 0.00 55.97 58.47 3iah s LYS 6 Cb -0.16 -1.86 0.90 0.00 -0.52 0.00 0.00 37.83 36.19 3iah s LYS 6 CO 0.56 -1.72 1.59 0.94 -0.92 0.00 0.00 175.35 175.80 3iah n GLN 7 N -2.68 0.13 -0.55 1.68 -0.06 -1.26 -1.79 117.38 112.85 3iah n GLN 7 Ca 0.13 0.49 0.08 0.00 -2.00 0.00 0.00 57.00 55.69 3iah n GLN 7 Cb 0.51 -1.82 0.29 0.00 -4.06 0.00 0.00 30.24 25.15 3iah n GLN 7 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 3iah n ASP 8 N -2.08 4.24 -0.31 1.69 5.68 -1.26 -3.94 116.55 120.57 3iah n ASP 8 Ca 0.01 -3.02 0.17 0.00 -0.50 0.00 0.00 54.79 51.44 3iah n ASP 8 Cb 0.13 -0.58 0.35 0.00 -1.14 0.00 0.00 41.12 39.88 3iah n ASP 8 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3iah h LEU 9 N 2.22 0.12 -3.36 -2.12 5.85 -1.37 -1.66 115.31 114.98 3iah h LEU 9 Ca 0.01 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3iah h LEU 9 Cb 1.57 0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.85 3iah h LEU 9 CO 0.29 -0.17 0.00 0.18 -0.34 0.00 0.00 178.44 178.39 3iah n LEU 10 N -5.20 4.74 -4.69 2.25 4.77 0.29 -4.75 117.00 114.42 3iah n LEU 10 Ca 0.25 -2.87 -0.44 0.00 -0.03 0.00 0.00 56.01 52.91 3iah n LEU 10 Cb 0.79 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3iah n LEU 10 CO 0.06 0.67 1.23 1.67 -1.33 0.00 0.00 177.39 179.69 3iah n GLN 11 N 0.20 2.36 -1.07 3.23 7.27 -0.63 -1.42 117.38 127.33 3iah n GLN 11 Ca 0.24 0.85 -0.02 0.00 0.07 0.00 0.00 57.00 58.14 3iah n GLN 11 Cb 1.00 -2.63 -0.01 0.00 2.41 0.00 0.00 30.24 31.01 3iah n GLN 11 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3iah n ASN 12 N 3.34 -4.15 -4.68 1.69 3.02 -1.22 -4.94 115.26 108.32 3iah n ASN 12 Ca 0.15 0.06 -0.36 0.00 -0.03 0.00 0.00 54.58 54.41 3iah n ASN 12 Cb 0.31 -1.86 -0.09 0.00 -0.61 0.00 0.00 39.78 37.53 3iah n ASN 12 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3iah s ARG 13 N -1.35 4.10 -0.36 3.52 1.81 -0.50 -4.94 118.95 121.22 3iah s ARG 13 Ca 0.00 -0.26 -0.16 0.00 -1.72 0.00 0.00 55.73 53.59 3iah s ARG 13 Cb 0.00 -3.45 -0.01 0.00 -0.45 0.00 0.00 34.95 31.04 3iah s ARG 13 CO 0.00 0.17 0.39 0.42 -0.68 0.00 0.00 175.30 175.61 3iah s ILE 14 N 0.72 5.13 -0.12 1.52 1.01 -1.26 -0.45 121.20 127.76 3iah s ILE 14 Ca 0.07 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.77 3iah s ILE 14 Cb -0.12 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.48 3iah s ILE 14 CO 0.01 -0.16 -0.17 -0.63 0.00 0.00 0.00 174.94 173.99 3iah s ILE 15 N 2.09 1.64 -0.13 2.92 1.01 -0.24 0.17 121.20 128.66 3iah s ILE 15 Ca 0.13 -0.73 -0.13 0.00 0.00 0.00 0.00 60.65 59.92 3iah s ILE 15 Cb -0.16 -1.48 -0.05 0.00 0.01 0.00 0.00 42.46 40.77 3iah s ILE 15 CO 0.12 0.47 0.29 -0.22 0.00 0.00 0.00 174.94 175.60 3iah s LEU 16 N 0.93 4.31 -0.15 2.97 0.20 0.04 -1.13 118.68 125.85 3iah s LEU 16 Ca -0.07 0.58 0.01 0.00 0.69 0.00 0.00 54.13 55.34 3iah s LEU 16 Cb -0.15 -2.37 0.02 0.00 -0.43 0.00 0.00 46.19 43.26 3iah s LEU 16 CO -0.01 0.18 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.38 3iah s VAL 17 N -0.03 1.66 0.32 1.68 1.01 -0.06 -0.66 120.40 124.32 3iah s VAL 17 Ca 0.18 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 3iah s VAL 17 Cb -0.13 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 3iah s VAL 17 CO 0.06 0.47 0.61 0.42 0.00 0.00 0.00 175.10 176.66 3iah s THR 18 N 1.34 4.97 -1.38 3.92 -4.23 -0.56 -0.74 115.64 118.96 3iah s THR 18 Ca 0.02 0.18 -0.07 0.00 -1.18 0.00 0.00 61.69 60.65 3iah s THR 18 Cb -0.13 -3.74 0.01 0.00 1.34 0.00 0.00 72.50 69.98 3iah s THR 18 CO -0.09 -0.38 0.87 0.61 -0.54 0.00 0.00 174.62 175.10 3iah n GLY 19 N -1.05 -0.47 0.00 3.99 0.00 -0.51 -3.33 105.19 103.82 3iah n GLY 19 Ca -0.01 0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.30 3iah n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iah n ALA 20 N -4.23 2.34 1.14 4.61 0.00 -0.54 -3.58 120.51 120.25 3iah n ALA 20 Ca -0.05 -0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.43 3iah n ALA 20 Cb 0.58 -1.46 0.61 0.00 0.00 0.00 0.00 19.45 19.18 3iah n ALA 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3iah n SER 21 N -1.44 0.11 -3.67 0.00 3.41 -1.26 -3.24 113.62 107.52 3iah n SER 21 Ca 0.09 0.15 -0.04 0.00 -0.26 0.00 0.00 58.87 58.81 3iah n SER 21 Cb 0.31 -0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 63.93 3iah n SER 21 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3iah s ASP 22 N -2.85 -0.15 0.75 4.04 -1.08 -1.25 -4.78 116.67 111.35 3iah s ASP 22 Ca 0.18 -0.52 0.00 0.00 -0.52 0.00 0.00 52.55 51.69 3iah s ASP 22 Cb 0.19 0.55 0.00 0.00 -1.46 0.00 0.00 42.92 42.20 3iah s ASP 22 CO 0.53 -1.03 0.00 0.61 0.52 0.00 0.00 175.17 175.79 3iah n GLY 23 N -0.50 2.71 0.27 2.66 0.00 -1.26 -1.88 105.19 107.18 3iah n GLY 23 Ca -0.05 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 3iah n GLY 23 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3iah h ILE 24 N 0.00 1.20 -0.76 -0.61 2.04 -1.93 -2.36 117.51 115.09 3iah h ILE 24 Ca 0.00 -0.49 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 3iah h ILE 24 Cb 0.00 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 3iah h ILE 24 CO 0.00 0.22 0.28 1.23 0.00 0.00 0.00 178.15 179.88 3iah h GLY 25 N 0.87 1.23 0.98 5.37 0.00 -1.60 0.12 103.07 110.05 3iah h GLY 25 Ca 0.23 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3iah h GLY 25 CO -0.04 0.65 0.09 -0.09 0.00 0.00 0.00 176.54 177.15 3iah h ARG 26 N 1.11 0.18 -0.80 4.80 2.43 -1.25 -0.18 114.38 120.68 3iah h ARG 26 Ca 0.25 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 3iah h ARG 26 Cb 0.25 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 3iah h ARG 26 CO -0.02 0.14 0.37 1.49 -1.51 0.00 0.00 179.97 180.45 3iah h GLU 27 N 0.17 1.16 -0.50 0.20 4.57 -0.98 -1.28 114.58 117.93 3iah h GLU 27 Ca 0.05 -0.18 0.01 0.00 -1.18 0.00 0.00 59.36 58.05 3iah h GLU 27 Cb 0.00 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.36 3iah h GLU 27 CO -0.01 0.91 0.33 0.00 -1.18 0.00 0.00 179.01 179.06 3iah h ALA 28 N 1.19 0.63 -0.20 2.92 0.00 -0.50 0.15 119.26 123.46 3iah h ALA 28 Ca 0.27 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3iah h ALA 28 Cb 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3iah h ALA 28 CO -0.03 0.07 0.12 0.00 0.00 0.00 0.00 179.25 179.41 3iah h ALA 29 N 1.18 0.26 -0.55 0.00 0.00 -0.65 0.23 119.26 119.72 3iah h ALA 29 Ca 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3iah h ALA 29 Cb -0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3iah h ALA 29 CO -0.04 -0.24 0.32 -0.07 0.00 0.00 0.00 179.25 179.22 3iah h LEU 30 N 0.24 0.68 -0.23 0.00 3.38 -1.02 -2.21 115.31 116.15 3iah h LEU 30 Ca 0.07 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3iah h LEU 30 Cb 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3iah h LEU 30 CO -0.01 0.55 -0.13 0.74 0.09 0.00 0.00 178.44 179.68 3iah h THR 31 N 0.74 1.31 -1.00 0.22 2.02 -0.50 -1.20 112.91 114.51 3iah h THR 31 Ca 0.20 -1.22 0.02 0.00 0.77 0.00 0.00 66.41 66.18 3iah h THR 31 Cb 0.01 1.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 3iah h THR 31 CO -0.03 0.38 0.66 1.88 0.37 0.00 0.00 175.52 178.77 3iah h TYR 32 N 0.20 1.23 -0.73 3.16 0.05 -0.49 -1.42 116.97 118.96 3iah h TYR 32 Ca 0.05 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.79 3iah h TYR 32 Cb 0.64 -0.41 -0.03 0.00 1.01 0.00 0.00 36.73 37.93 3iah h TYR 32 CO 0.07 0.74 0.20 0.00 -1.05 0.00 0.00 178.16 178.12 3iah h ALA 33 N 1.40 0.97 0.00 3.88 0.00 -1.28 -1.35 119.26 122.89 3iah h ALA 33 Ca 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3iah h ALA 33 Cb -0.07 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 3iah h ALA 33 CO -0.10 0.67 -0.12 0.00 0.00 0.00 0.00 179.25 179.70 3iah h ARG 34 N 1.10 0.00 -0.64 0.00 3.08 -0.22 -2.03 114.38 115.68 3iah h ARG 34 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3iah h ARG 34 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3iah h ARG 34 CO -0.00 0.12 0.00 0.66 -1.07 0.00 0.00 179.97 179.68 3iah n TYR 35 N -3.69 1.76 -0.35 3.04 4.01 -0.65 -4.86 117.16 116.42 3iah n TYR 35 Ca -0.02 -0.62 0.00 0.00 -0.16 0.00 0.00 57.90 57.10 3iah n TYR 35 Cb 0.23 -0.43 0.00 0.00 -0.31 0.00 0.00 39.34 38.83 3iah n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iah n GLY 36 N 0.61 0.77 3.83 2.72 0.00 -0.76 -0.54 105.19 111.82 3iah n GLY 36 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 3iah n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iah s ALA 37 N -2.76 2.90 -0.51 4.61 0.00 -0.56 -3.43 121.76 122.01 3iah s ALA 37 Ca 0.00 0.24 -0.20 0.00 0.00 0.00 0.00 51.96 52.01 3iah s ALA 37 Cb 0.00 -3.17 0.06 0.00 0.00 0.00 0.00 23.12 20.01 3iah s ALA 37 CO 0.00 -0.59 0.66 0.99 0.00 0.00 0.00 175.76 176.81 3iah s THR 38 N -2.63 4.83 -0.02 0.00 2.01 0.41 -4.39 115.64 115.84 3iah s THR 38 Ca 0.61 -0.43 -0.12 0.00 0.31 0.00 0.00 61.69 62.05 3iah s THR 38 Cb -0.13 -4.33 -0.05 0.00 0.01 0.00 0.00 72.50 68.00 3iah s THR 38 CO 0.37 -0.84 0.33 -0.69 -0.69 0.00 0.00 174.62 173.10 3iah s VAL 39 N 2.76 5.17 -0.16 3.82 1.01 -1.26 -1.08 120.40 130.65 3iah s VAL 39 Ca 0.16 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.75 3iah s VAL 39 Cb -0.19 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3iah s VAL 39 CO 0.12 0.55 -0.15 -0.63 0.00 0.00 0.00 175.10 174.99 3iah s ILE 40 N -1.11 2.61 -0.20 2.22 1.01 -0.28 -4.00 121.20 121.45 3iah s ILE 40 Ca 0.23 -0.78 -0.08 0.00 0.00 0.00 0.00 60.65 60.01 3iah s ILE 40 Cb -0.15 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 3iah s ILE 40 CO 0.12 0.51 0.09 -0.76 0.00 0.00 0.00 174.94 174.90 3iah s LEU 41 N 0.92 3.90 -0.02 2.97 1.02 -0.58 -0.88 118.68 126.01 3iah s LEU 41 Ca -0.03 0.09 0.06 0.00 0.02 0.00 0.00 54.13 54.27 3iah s LEU 41 Cb -0.15 -2.01 -0.02 0.00 0.02 0.00 0.00 46.19 44.03 3iah s LEU 41 CO -0.02 0.14 -0.21 -0.76 0.02 0.00 0.00 176.35 175.52 3iah s LEU 42 N 0.59 2.36 0.00 1.79 1.02 0.09 -1.18 118.68 123.35 3iah s LEU 42 Ca 0.05 -0.38 -0.20 0.00 0.02 0.00 0.00 54.13 53.63 3iah s LEU 42 Cb -0.13 -1.43 0.07 0.00 0.02 0.00 0.00 46.19 44.72 3iah s LEU 42 CO 0.01 0.32 0.91 0.61 0.02 0.00 0.00 176.35 178.22 3iah n GLY 43 N 2.25 0.51 0.02 -3.19 0.00 -1.14 -1.43 105.19 102.22 3iah n GLY 43 Ca -0.16 -1.05 0.03 0.00 0.00 0.00 0.00 46.02 44.84 3iah n GLY 43 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3iah n ARG 44 N -0.65 0.83 -3.35 1.61 1.85 -1.26 -0.71 116.66 114.99 3iah n ARG 44 Ca 0.01 -0.10 -0.44 0.00 -1.00 0.00 0.00 57.85 56.32 3iah n ARG 44 Cb 0.45 -1.34 -0.07 0.00 -1.05 0.00 0.00 32.46 30.45 3iah n ARG 44 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 3iah s ASN 45 N -3.94 6.16 0.22 2.89 3.84 -1.26 -4.77 114.94 118.07 3iah s ASN 45 Ca -0.06 -1.28 -0.08 0.00 0.21 0.00 0.00 52.86 51.66 3iah s ASN 45 Cb 0.08 -2.20 0.27 0.00 -0.55 0.00 0.00 41.25 38.84 3iah s ASN 45 CO 0.59 -0.69 1.83 -0.33 -2.79 0.00 0.00 177.10 175.70 3iah h GLU 46 N 8.80 0.78 -0.58 0.43 5.08 -1.98 -1.55 114.58 125.55 3iah h GLU 46 Ca -0.28 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 57.98 3iah h GLU 46 Cb 1.11 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 3iah h GLU 46 CO 0.90 0.51 0.15 1.05 -1.00 0.00 0.00 179.01 180.62 3iah h GLU 47 N 0.80 0.88 -0.32 2.33 4.11 -1.99 0.28 114.58 120.68 3iah h GLU 47 Ca 0.32 -0.18 -0.12 0.00 0.07 0.00 0.00 59.36 59.46 3iah h GLU 47 Cb 0.17 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3iah h GLU 47 CO -0.17 0.79 -0.26 0.87 0.07 0.00 0.00 179.01 180.31 3iah h LYS 48 N 0.85 0.73 -0.49 1.06 1.57 -1.84 -2.43 116.57 116.02 3iah h LYS 48 Ca 0.19 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 3iah h LYS 48 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3iah h LYS 48 CO -0.00 0.98 0.22 -0.07 -0.57 0.00 0.00 179.45 180.01 3iah h LEU 49 N 0.49 0.65 -1.25 2.94 3.38 -1.05 -2.09 115.31 118.38 3iah h LEU 49 Ca 0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3iah h LEU 49 Cb 0.82 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 3iah h LEU 49 CO 0.07 0.61 0.26 -0.09 0.09 0.00 0.00 178.44 179.38 3iah h ARG 50 N 0.64 0.78 -0.23 1.13 2.43 -0.92 -0.74 114.38 117.46 3iah h ARG 50 Ca 0.16 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3iah h ARG 50 Cb 0.15 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3iah h ARG 50 CO -0.02 0.61 0.07 -0.09 -1.51 0.00 0.00 179.97 179.03 3iah h ARG 51 N 0.78 0.36 -0.63 0.20 2.43 -1.07 -0.95 114.38 115.50 3iah h ARG 51 Ca 0.19 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3iah h ARG 51 Cb 0.09 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 3iah h ARG 51 CO -0.03 0.46 0.18 0.28 -1.51 0.00 0.00 179.97 179.35 3iah h VAL 52 N 0.20 1.25 -0.73 0.20 2.07 -1.04 -1.94 116.25 116.26 3iah h VAL 52 Ca 0.07 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 3iah h VAL 52 Cb 0.25 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3iah h VAL 52 CO -0.00 0.33 0.32 0.00 0.02 0.00 0.00 177.57 178.25 3iah h ALA 53 N 1.06 1.19 -0.36 1.67 0.00 -1.01 -1.62 119.26 120.19 3iah h ALA 53 Ca 0.20 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3iah h ALA 53 Cb 0.32 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3iah h ALA 53 CO -0.00 0.60 -0.24 0.37 0.00 0.00 0.00 179.25 179.98 3iah h GLN 54 N 1.05 0.72 -0.50 0.00 5.75 -0.96 -0.23 115.11 120.94 3iah h GLN 54 Ca 0.25 -0.29 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 3iah h GLN 54 Cb 0.15 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 3iah h GLN 54 CO -0.03 0.89 0.24 1.25 -2.65 0.00 0.00 178.83 178.53 3iah h HIS 55 N 0.63 0.73 -0.41 3.99 2.76 -0.87 -0.62 115.15 121.35 3iah h HIS 55 Ca 0.09 -0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.14 3iah h HIS 55 Cb 0.74 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 3iah h HIS 55 CO 0.04 0.58 -0.05 0.82 -1.30 0.00 0.00 177.93 178.01 3iah h ILE 56 N 0.67 1.27 -0.69 6.26 2.04 -1.08 -2.87 117.51 123.12 3iah h ILE 56 Ca 0.17 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 3iah h ILE 56 Cb 0.12 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 3iah h ILE 56 CO -0.02 0.38 0.32 0.00 0.00 0.00 0.00 178.15 178.83 3iah h ALA 57 N 0.87 1.27 -0.65 1.87 0.00 -0.76 0.26 119.26 122.12 3iah h ALA 57 Ca 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3iah h ALA 57 Cb 0.56 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3iah h ALA 57 CO 0.03 0.56 0.30 -0.44 0.00 0.00 0.00 179.25 179.70 3iah h ASP 58 N 0.97 0.84 0.17 0.00 3.32 -1.01 0.23 116.42 120.95 3iah h ASP 58 Ca 0.24 -0.09 -0.36 0.00 0.02 0.00 0.00 57.03 56.84 3iah h ASP 58 Cb 0.11 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 3iah h ASP 58 CO -0.03 0.72 -1.85 -0.33 -1.72 0.00 0.00 179.24 176.03 3iah h GLU 59 N 0.93 0.34 -0.00 3.56 5.08 -1.21 -3.39 114.58 119.89 3iah h GLU 59 Ca 0.23 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3iah h GLU 59 Cb 0.11 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3iah h GLU 59 CO -0.03 1.28 -0.90 1.04 -1.00 0.00 0.00 179.01 179.40 3iah n GLN 60 N -3.55 0.01 -1.94 2.33 1.13 0.87 -4.97 117.38 111.26 3iah n GLN 60 Ca -0.27 -0.01 -0.18 0.00 -1.94 0.00 0.00 57.00 54.60 3iah n GLN 60 Cb 1.07 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.88 3iah n GLN 60 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3iah n HIS 61 N -1.49 -0.44 -3.71 1.08 8.25 0.82 -4.97 115.22 114.77 3iah n HIS 61 Ca 0.04 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.35 3iah n HIS 61 Cb 0.33 -3.28 -0.15 0.00 1.12 0.00 0.00 29.99 28.02 3iah n HIS 61 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3iah s VAL 62 N -2.77 -0.16 -0.35 1.59 1.01 -1.25 -5.05 120.40 113.43 3iah s VAL 62 Ca 0.00 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.96 3iah s VAL 62 Cb 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 36.13 3iah s VAL 62 CO 0.00 0.11 1.11 -1.58 0.00 0.00 0.00 175.10 174.75 3iah s GLN 63 N 1.74 3.98 0.52 2.72 2.00 -1.26 -3.87 119.66 125.50 3iah s GLN 63 Ca -0.03 0.99 -0.17 0.00 -2.00 0.00 0.00 55.36 54.15 3iah s GLN 63 Cb -0.12 -3.79 -0.07 0.00 0.80 0.00 0.00 33.01 29.83 3iah s GLN 63 CO -0.06 -1.02 1.00 -1.25 -0.50 0.00 0.00 175.29 173.46 3iah s PRO 64 N 3.88 3.82 0.30 1.67 0.04 -1.26 -5.03 135.00 138.41 3iah s PRO 64 Ca 0.47 1.05 -0.15 0.00 0.04 0.00 0.00 61.00 62.42 3iah s PRO 64 Cb -0.12 -2.11 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 3iah s PRO 64 CO 0.19 -0.39 0.71 -0.65 0.04 0.00 0.00 177.00 176.91 3iah s GLN 65 N -3.95 4.00 0.12 4.56 -0.21 -1.26 -4.92 119.66 118.01 3iah s GLN 65 Ca 0.61 0.64 0.06 0.00 0.02 0.00 0.00 55.36 56.69 3iah s GLN 65 Cb -0.12 -2.49 -0.04 0.00 1.00 0.00 0.00 33.01 31.36 3iah s GLN 65 CO 0.30 0.19 -0.14 1.67 -2.12 0.00 0.00 175.29 175.20 3iah s TRP 66 N -1.92 1.39 -0.01 0.91 1.48 -1.26 -1.53 118.94 118.00 3iah s TRP 66 Ca 0.52 -0.55 0.00 0.00 -1.06 0.00 0.00 56.10 55.01 3iah s TRP 66 Cb -0.11 -0.73 0.01 0.00 -1.16 0.00 0.00 33.47 31.48 3iah s TRP 66 CO 0.18 0.14 0.00 -0.06 -4.06 0.00 0.00 176.95 173.15 3iah s PHE 67 N -2.10 0.11 -0.08 1.66 0.08 -0.32 -4.95 117.98 112.38 3iah s PHE 67 Ca 0.08 0.03 -0.13 0.00 0.12 0.00 0.00 56.93 57.03 3iah s PHE 67 Cb -0.05 -0.16 -0.05 0.00 -0.57 0.00 0.00 43.02 42.19 3iah s PHE 67 CO 0.03 -0.05 0.33 0.95 -0.10 0.00 0.00 175.22 176.38 3iah s THR 68 N 0.45 5.21 -0.27 0.64 -4.23 -1.26 -2.87 115.64 113.31 3iah s THR 68 Ca -0.04 0.64 -0.08 0.00 -1.18 0.00 0.00 61.69 61.03 3iah s THR 68 Cb -0.06 -3.63 0.12 0.00 1.34 0.00 0.00 72.50 70.27 3iah s THR 68 CO -0.01 0.52 0.57 -0.22 -0.54 0.00 0.00 174.62 174.94 3iah s LEU 69 N -0.53 -1.01 -0.44 4.79 2.96 0.12 -4.95 118.68 119.61 3iah s LEU 69 Ca 0.20 1.33 -0.20 0.00 -0.22 0.00 0.00 54.13 55.24 3iah s LEU 69 Cb -0.15 1.99 0.03 0.00 0.50 0.00 0.00 46.19 48.56 3iah s LEU 69 CO 0.09 -0.23 0.58 -0.62 -1.32 0.00 0.00 176.35 174.85 3iah s ASP 70 N 2.81 6.27 0.58 3.68 3.68 -1.26 -4.10 116.67 128.33 3iah s ASP 70 Ca -0.02 -0.50 0.38 0.00 2.13 0.00 0.00 52.55 54.53 3iah s ASP 70 Cb -0.12 -2.29 1.85 0.00 -1.45 0.00 0.00 42.92 40.90 3iah s ASP 70 CO -0.17 -0.74 2.13 -0.07 0.13 0.00 0.00 175.17 176.45 3iah h LEU 71 N 9.52 0.00 0.05 -1.34 3.38 -1.95 -0.83 115.31 124.14 3iah h LEU 71 Ca -0.26 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.43 3iah h LEU 71 Cb 1.10 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.87 3iah h LEU 71 CO 0.87 0.00 -1.12 0.25 0.09 0.00 0.00 178.44 178.53 3iah h LEU 72 N 0.00 0.90 -0.86 1.67 5.85 -1.91 -3.36 115.31 117.59 3iah h LEU 72 Ca 0.00 -0.77 0.00 0.00 0.84 0.00 0.00 57.88 57.95 3iah h LEU 72 Cb 0.23 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3iah h LEU 72 CO 0.00 1.57 -0.42 0.35 -0.34 0.00 0.00 178.44 179.60 3iah n THR 73 N -3.84 0.00 -2.11 1.05 -2.24 -1.12 -4.91 114.28 101.12 3iah n THR 73 Ca -0.12 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 3iah n THR 73 Cb 0.92 1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 70.32 3iah n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iah s THR 75 N 1.95 2.00 0.19 0.00 -4.23 -1.26 -4.89 115.64 109.40 3iah s THR 75 Ca 0.67 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 61.03 3iah s THR 75 Cb -0.36 -2.93 0.17 0.00 1.34 0.00 0.00 72.50 70.72 3iah s THR 75 CO 0.29 0.00 1.64 0.00 -0.54 0.00 0.00 174.62 176.01 3iah h ALA 76 N -1.22 0.30 -0.08 3.99 0.00 -2.02 -1.38 119.26 118.85 3iah h ALA 76 Ca -0.47 0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 3iah h ALA 76 Cb 1.33 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 3iah h ALA 76 CO 0.63 -0.47 -0.23 1.49 0.00 0.00 0.00 179.25 180.67 3iah h GLU 77 N -0.03 0.14 0.00 0.00 4.57 -2.01 -2.99 114.58 114.26 3iah h GLU 77 Ca 0.25 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 3iah h GLU 77 Cb 0.42 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 3iah h GLU 77 CO -0.56 0.38 0.00 0.39 -1.18 0.00 0.00 179.01 178.03 3iah n GLU 78 N -4.21 0.11 0.01 1.92 1.02 -0.52 -2.31 120.64 116.66 3iah n GLU 78 Ca -0.01 0.48 -0.22 0.00 -0.02 0.00 0.00 57.16 57.39 3iah n GLU 78 Cb 0.33 -1.78 -0.14 0.00 -0.02 0.00 0.00 31.44 29.82 3iah n GLU 78 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3iah h ARG 80 N -0.07 0.00 -0.43 0.00 -0.00 -1.60 -1.79 114.38 110.49 3iah h ARG 80 Ca -0.39 0.00 -0.15 0.00 -0.50 0.00 0.00 59.98 58.94 3iah h ARG 80 Cb 1.94 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.90 3iah h ARG 80 CO 0.07 0.11 -0.32 1.96 0.00 0.00 0.00 179.97 181.79 3iah h GLN 81 N 0.00 0.97 -0.68 0.04 4.20 -1.61 -1.76 115.11 116.26 3iah h GLN 81 Ca -0.00 -0.47 -0.08 0.00 0.06 0.00 0.00 58.65 58.16 3iah h GLN 81 Cb 0.44 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 3iah h GLN 81 CO 0.01 1.14 0.13 0.28 -0.67 0.00 0.00 178.83 179.72 3iah h VAL 82 N 0.80 1.26 -0.64 -0.54 2.07 -1.46 -1.78 116.25 115.97 3iah h VAL 82 Ca 0.08 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.53 3iah h VAL 82 Cb 0.91 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3iah h VAL 82 CO 0.08 0.39 0.21 0.00 0.02 0.00 0.00 177.57 178.27 3iah h ALA 83 N 1.06 1.17 -0.67 1.67 0.00 -1.29 -1.75 119.26 119.44 3iah h ALA 83 Ca 0.21 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3iah h ALA 83 Cb 0.42 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3iah h ALA 83 CO 0.01 0.58 0.11 -0.44 0.00 0.00 0.00 179.25 179.51 3iah h ASP 84 N 0.93 1.06 -0.65 0.00 3.45 -0.95 0.31 116.42 120.57 3iah h ASP 84 Ca 0.21 -0.26 -0.07 0.00 0.43 0.00 0.00 57.03 57.34 3iah h ASP 84 Cb 0.25 -0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 38.72 3iah h ASP 84 CO -0.01 1.05 0.13 0.03 -1.57 0.00 0.00 179.24 178.87 3iah h ARG 85 N 1.03 1.07 -0.17 3.56 3.08 -0.99 -1.56 114.38 120.40 3iah h ARG 85 Ca 0.20 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3iah h ARG 85 Cb 0.44 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3iah h ARG 85 CO 0.01 0.97 0.02 0.82 -1.07 0.00 0.00 179.97 180.73 3iah h ILE 86 N 0.99 1.23 -0.07 2.04 2.04 -1.08 -2.87 117.51 119.79 3iah h ILE 86 Ca 0.20 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.33 3iah h ILE 86 Cb 0.41 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3iah h ILE 86 CO 0.01 0.23 0.06 0.00 0.00 0.00 0.00 178.15 178.44 3iah h ALA 87 N 0.81 1.88 0.00 1.87 0.00 -0.79 0.28 119.26 123.30 3iah h ALA 87 Ca 0.05 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3iah h ALA 87 Cb 0.32 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3iah h ALA 87 CO 0.00 -0.09 -0.41 0.00 0.00 0.00 0.00 179.25 178.75 3iah h ALA 88 N 1.95 1.14 0.00 0.00 0.00 -1.05 -3.30 119.26 118.00 3iah h ALA 88 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3iah h ALA 88 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3iah h ALA 88 CO -0.00 0.52 -1.39 0.72 0.00 0.00 0.00 179.25 179.09 3iah n HIS 89 N -3.79 0.00 -4.27 0.00 8.25 -0.46 -5.03 115.22 109.92 3iah n HIS 89 Ca -0.01 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.27 3iah n HIS 89 Cb 0.48 -0.24 -0.13 0.00 1.12 0.00 0.00 29.99 31.22 3iah n HIS 89 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3iah s TYR 90 N -2.77 0.94 -0.94 4.41 2.02 0.85 -5.05 117.35 116.81 3iah s TYR 90 Ca -0.03 -0.31 0.27 0.00 -0.37 0.00 0.00 57.07 56.63 3iah s TYR 90 Cb 0.09 -0.57 0.87 0.00 -0.40 0.00 0.00 41.96 41.95 3iah s TYR 90 CO 0.55 -0.00 1.69 -0.35 -1.57 0.00 0.00 175.55 175.86 3iah n PRO 91 N 2.11 0.05 -3.81 -1.71 -0.04 -1.26 -4.29 135.00 126.05 3iah n PRO 91 Ca -0.18 0.03 -0.01 0.00 -0.04 0.00 0.00 63.50 63.30 3iah n PRO 91 Cb 0.55 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 3iah n PRO 91 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3iah s ARG 92 N -3.02 0.92 -0.10 0.54 1.70 -1.26 -4.90 118.95 112.82 3iah s ARG 92 Ca 0.12 -0.56 0.00 0.00 -0.47 0.00 0.00 55.73 54.82 3iah s ARG 92 Cb 0.17 0.28 0.02 0.00 -0.57 0.00 0.00 34.95 34.86 3iah s ARG 92 CO 0.61 -0.43 -0.09 -0.51 -1.08 0.00 0.00 175.30 173.80 3iah s LEU 93 N -3.27 1.33 0.20 -1.89 1.43 -0.84 -4.87 118.68 110.78 3iah s LEU 93 Ca 0.19 -0.31 0.23 0.00 -1.03 0.00 0.00 54.13 53.20 3iah s LEU 93 Cb -0.00 -0.86 0.09 0.00 0.03 0.00 0.00 46.19 45.45 3iah s LEU 93 CO 0.02 -0.08 1.14 0.44 0.23 0.00 0.00 176.35 178.10 3iah h ASP 94 N 7.87 0.00 -4.56 2.29 3.32 -0.58 -3.35 116.42 121.40 3iah h ASP 94 Ca -0.31 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.61 3iah h ASP 94 Cb 1.14 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.49 3iah h ASP 94 CO 0.43 0.03 -0.02 -0.83 -1.72 0.00 0.00 179.24 177.13 3iah s GLY 95 N -4.19 -0.41 -0.09 2.75 0.00 -0.90 -1.23 107.32 103.26 3iah s GLY 95 Ca 0.01 1.19 -0.02 0.00 0.00 0.00 0.00 44.72 45.90 3iah s GLY 95 CO 0.77 0.93 0.03 0.14 0.00 0.00 0.00 173.10 174.97 3iah s VAL 96 N -0.61 0.19 -0.36 1.40 1.01 -0.57 -0.78 120.40 120.68 3iah s VAL 96 Ca -0.07 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 3iah s VAL 96 Cb -0.03 -0.47 0.04 0.00 0.00 0.00 0.00 36.38 35.91 3iah s VAL 96 CO 0.05 0.13 0.16 -0.22 0.00 0.00 0.00 175.10 175.22 3iah s LEU 97 N 2.04 4.57 -0.88 3.92 2.96 0.16 -0.77 118.68 130.68 3iah s LEU 97 Ca 0.04 -1.09 -0.21 0.00 -0.22 0.00 0.00 54.13 52.66 3iah s LEU 97 Cb -0.13 -1.95 0.10 0.00 0.50 0.00 0.00 46.19 44.70 3iah s LEU 97 CO -0.05 -0.37 1.17 -1.00 -1.32 0.00 0.00 176.35 174.78 3iah s HIS 98 N 1.48 2.86 -0.13 5.38 3.76 0.63 -1.50 115.29 127.77 3iah s HIS 98 Ca 0.00 -1.04 0.16 0.00 -0.15 0.00 0.00 55.06 54.03 3iah s HIS 98 Cb -0.19 -4.39 -0.23 0.00 1.11 0.00 0.00 32.58 28.88 3iah s HIS 98 CO 0.05 -1.64 0.14 -1.71 -0.85 0.00 0.00 174.74 170.72 3iah n ASN 99 N 7.42 0.77 -4.61 1.40 5.15 -1.24 -2.46 115.26 121.69 3iah n ASN 99 Ca 0.19 0.00 -0.45 0.00 -0.60 0.00 0.00 54.58 53.72 3iah n ASN 99 Cb 0.49 1.14 -0.02 0.00 -0.53 0.00 0.00 39.78 40.86 3iah n ASN 99 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3iah n ALA 100 N -2.52 -0.01 -3.51 5.20 0.00 -1.21 -4.84 120.51 113.62 3iah n ALA 100 Ca -0.22 0.40 -0.14 0.00 0.00 0.00 0.00 53.44 53.48 3iah n ALA 100 Cb 0.92 -2.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.26 3iah n ALA 100 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3iah s GLY 101 N -0.41 -0.50 -0.10 0.00 0.00 -1.26 -4.84 107.32 100.21 3iah s GLY 101 Ca 0.60 1.26 0.04 0.00 0.00 0.00 0.00 44.72 46.62 3iah s GLY 101 CO 0.59 0.71 -0.23 -2.27 0.00 0.00 0.00 173.10 171.90 3iah s LEU 102 N -1.70 2.15 0.05 0.66 2.96 -1.26 -5.04 118.68 116.50 3iah s LEU 102 Ca -0.04 -0.53 -0.15 0.00 -0.22 0.00 0.00 54.13 53.19 3iah s LEU 102 Cb -0.00 -1.42 -0.28 0.00 0.50 0.00 0.00 46.19 44.98 3iah s LEU 102 CO 0.00 0.17 1.11 0.25 -1.32 0.00 0.00 176.35 176.57 3iah h LEU 103 N 6.62 0.86 0.00 -0.68 5.85 -2.00 -3.46 115.31 122.51 3iah h LEU 103 Ca -0.21 -0.81 0.00 0.00 0.84 0.00 0.00 57.88 57.70 3iah h LEU 103 Cb 1.23 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.99 3iah h LEU 103 CO 0.48 1.58 0.00 0.61 -0.34 0.00 0.00 178.44 180.77 3iah n GLY 104 N 1.32 -0.27 3.81 3.75 0.00 -1.26 -4.19 105.19 108.35 3iah n GLY 104 Ca -0.13 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 3iah n GLY 104 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iah s GLU 105 N 0.00 3.94 -0.34 1.61 2.12 -1.26 -5.06 118.70 119.71 3iah s GLU 105 Ca 0.00 0.20 -0.12 0.00 0.36 0.00 0.00 54.97 55.41 3iah s GLU 105 Cb 0.00 -3.29 -0.01 0.00 0.26 0.00 0.00 34.13 31.09 3iah s GLU 105 CO 0.00 0.54 0.22 0.42 -0.54 0.00 0.00 175.26 175.90 3iah s ILE 106 N -0.50 5.12 0.00 -3.70 -1.09 -1.26 -4.67 121.20 115.10 3iah s ILE 106 Ca 0.20 -0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.34 3iah s ILE 106 Cb -0.14 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 3iah s ILE 106 CO 0.08 -0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.40 3iah n GLY 107 N 5.08 0.61 0.00 6.18 0.00 -0.01 -5.03 105.19 112.02 3iah n GLY 107 Ca -0.13 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.92 3iah n GLY 107 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3iah n PRO 108 N -0.39 1.41 0.00 1.61 -0.04 -1.26 -4.25 135.00 132.07 3iah n PRO 108 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3iah n PRO 108 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3iah n PRO 108 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3iah n SER 110 N 0.00 0.00 -0.00 3.54 3.41 -1.26 -1.70 113.62 117.61 3iah n SER 110 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 3iah n SER 110 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 3iah n SER 110 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3iah n GLU 111 N 0.00 2.44 -1.67 4.33 1.02 -1.26 -5.03 120.64 120.47 3iah n GLU 111 Ca 0.00 -0.02 -0.55 0.00 -0.02 0.00 0.00 57.16 56.56 3iah n GLU 111 Cb 0.00 -1.12 -0.07 0.00 -0.02 0.00 0.00 31.44 30.23 3iah n GLU 111 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3iah n GLN 112 N -1.41 1.20 -1.97 3.49 1.13 -0.69 -4.87 117.38 114.25 3iah n GLN 112 Ca 0.01 0.44 -0.42 0.00 -1.94 0.00 0.00 57.00 55.09 3iah n GLN 112 Cb 0.22 -2.12 -0.03 0.00 0.11 0.00 0.00 30.24 28.42 3iah n GLN 112 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3iah s ASP 113 N 2.61 6.64 0.44 1.08 2.15 -1.26 -4.90 116.67 123.44 3iah s ASP 113 Ca 0.94 2.38 0.14 0.00 0.43 0.00 0.00 52.55 56.44 3iah s ASP 113 Cb -1.02 -2.55 0.99 0.00 -0.30 0.00 0.00 42.92 40.04 3iah s ASP 113 CO 0.59 -0.88 1.99 -0.65 -0.17 0.00 0.00 175.17 176.04 3iah h PRO 114 N 8.68 0.00 -0.31 4.34 0.11 -2.00 -0.69 132.00 142.13 3iah h PRO 114 Ca -0.41 -0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.53 3iah h PRO 114 Cb 1.19 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3iah h PRO 114 CO 0.93 0.19 -0.43 0.37 -0.21 0.00 0.00 178.00 178.85 3iah h GLN 115 N 0.00 0.84 -0.62 1.05 5.75 -1.99 -2.06 115.11 118.08 3iah h GLN 115 Ca -0.00 -0.49 -0.08 0.00 -0.15 0.00 0.00 58.65 57.93 3iah h GLN 115 Cb 0.33 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 3iah h GLN 115 CO 0.02 1.13 0.07 0.82 -2.65 0.00 0.00 178.83 178.23 3iah h ILE 116 N 0.62 1.26 -0.32 2.39 2.04 -1.86 -0.31 117.51 121.34 3iah h ILE 116 Ca 0.03 -1.06 0.06 0.00 1.00 0.00 0.00 64.86 64.90 3iah h ILE 116 Cb 1.03 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 3iah h ILE 116 CO 0.10 0.39 -0.00 -0.25 0.00 0.00 0.00 178.15 178.39 3iah h TRP 117 N 0.96 -0.02 -0.42 1.37 2.91 -1.04 -0.64 115.95 119.07 3iah h TRP 117 Ca 0.19 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.17 3iah h TRP 117 Cb 0.47 0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 29.16 3iah h TRP 117 CO 0.03 -0.06 0.01 1.96 -1.03 0.00 0.00 178.44 179.36 3iah h GLN 118 N 0.09 0.67 -0.58 2.65 4.20 -0.99 -2.70 115.11 118.44 3iah h GLN 118 Ca 0.15 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 3iah h GLN 118 Cb 0.21 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3iah h GLN 118 CO -0.26 0.68 0.06 -0.44 -0.67 0.00 0.00 178.83 178.20 3iah h ASP 119 N 0.64 0.96 0.00 1.46 3.32 -0.33 0.07 116.42 122.53 3iah h ASP 119 Ca 0.13 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.90 3iah h ASP 119 Cb 0.38 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3iah h ASP 119 CO 0.01 0.99 0.00 0.52 -1.72 0.00 0.00 179.24 179.05 3iah n VAL 120 N -4.28 0.03 0.00 -1.35 0.31 -0.31 -1.25 118.33 111.48 3iah n VAL 120 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3iah n VAL 120 Cb 0.30 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.03 3iah n VAL 120 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3iah n GLN 122 N 0.57 0.00 0.03 5.55 -0.06 0.01 -1.41 117.38 122.07 3iah n GLN 122 Ca 0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.88 3iah n GLN 122 Cb 0.04 0.00 -0.09 0.00 -4.06 0.00 0.00 30.24 26.13 3iah n GLN 122 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3iah h VAL 123 N 0.00 1.13 -0.01 1.69 2.07 -1.38 0.23 116.25 119.98 3iah h VAL 123 Ca 0.00 -1.16 -0.16 0.00 0.82 0.00 0.00 66.70 66.20 3iah h VAL 123 Cb 0.00 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3iah h VAL 123 CO 0.00 0.27 -0.73 0.78 0.02 0.00 0.00 177.57 177.91 3iah h ASN 124 N -0.70 0.09 0.00 0.57 4.21 -1.47 -3.24 115.58 115.04 3iah h ASN 124 Ca -0.01 -0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.44 3iah h ASN 124 Cb 0.54 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.72 3iah h ASN 124 CO 0.02 0.78 -0.11 0.52 -1.29 0.00 0.00 177.43 177.36 3iah n VAL 125 N -3.71 0.43 0.13 2.81 0.31 -1.26 -4.56 118.33 112.48 3iah n VAL 125 Ca -0.02 0.22 -0.13 0.00 -0.01 0.00 0.00 64.34 64.39 3iah n VAL 125 Cb 0.70 -1.38 -0.07 0.00 -0.91 0.00 0.00 33.84 32.18 3iah n VAL 125 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3iah h ASN 126 N -0.11 -0.30 0.32 4.52 2.35 -1.80 0.16 115.58 120.73 3iah h ASN 126 Ca 0.00 0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 55.64 3iah h ASN 126 Cb 0.11 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3iah h ASN 126 CO 0.00 -0.19 -0.55 0.00 -1.65 0.00 0.00 177.43 175.04 3iah h ALA 127 N 0.50 0.93 -0.59 -0.83 0.00 -0.72 -2.78 119.26 115.76 3iah h ALA 127 Ca -0.02 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 3iah h ALA 127 Cb 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3iah h ALA 127 CO 0.01 0.69 0.15 1.15 0.00 0.00 0.00 179.25 181.25 3iah h THR 128 N 0.18 1.25 0.00 0.00 2.02 -1.54 0.12 112.91 114.94 3iah h THR 128 Ca 0.00 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.29 3iah h THR 128 Cb 1.02 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 3iah h THR 128 CO 0.08 0.33 0.00 0.33 0.37 0.00 0.00 175.52 176.64 3iah n PHE 129 N -4.37 0.00 0.00 3.16 7.35 0.03 -1.60 117.46 122.03 3iah n PHE 129 Ca 0.03 -0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 3iah n PHE 129 Cb 0.23 -0.03 0.00 0.00 0.35 0.00 0.00 39.48 40.03 3iah n PHE 129 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3iah n LEU 131 N 0.48 0.00 0.05 -2.13 7.94 0.42 -0.74 117.00 123.01 3iah n LEU 131 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 3iah n LEU 131 Cb 0.05 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.94 3iah n LEU 131 CO 0.00 0.00 0.83 0.74 -1.11 0.00 0.00 177.39 177.85 3iah h THR 132 N 0.00 0.85 -0.85 1.96 2.02 -1.53 -1.56 112.91 113.80 3iah h THR 132 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 3iah h THR 132 Cb 0.00 0.85 -0.07 0.00 -1.74 0.00 0.00 68.15 67.18 3iah h THR 132 CO 0.00 0.00 0.50 -0.61 0.37 0.00 0.00 175.52 175.78 3iah h GLN 133 N -0.10 0.81 -0.08 6.66 4.15 -1.21 -1.32 115.11 124.02 3iah h GLN 133 Ca 0.03 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.34 3iah h GLN 133 Cb 0.13 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 3iah h GLN 133 CO -0.06 0.54 -0.21 0.00 -1.93 0.00 0.00 178.83 177.17 3iah h ALA 134 N 1.46 1.50 -0.00 3.38 0.00 -1.72 -3.19 119.26 120.69 3iah h ALA 134 Ca 0.41 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3iah h ALA 134 Cb 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3iah h ALA 134 CO -0.24 0.36 -0.67 1.28 0.00 0.00 0.00 179.25 179.98 3iah n LEU 135 N -4.24 1.16 -0.27 0.00 4.77 -0.63 -4.47 117.00 113.33 3iah n LEU 135 Ca -0.01 -0.43 -0.03 0.00 -0.03 0.00 0.00 56.01 55.50 3iah n LEU 135 Cb 0.30 -0.07 0.08 0.00 -2.33 0.00 0.00 43.42 41.41 3iah n LEU 135 CO 0.38 0.25 1.18 -0.07 -1.33 0.00 0.00 177.39 177.80 3iah h LEU 136 N 0.78 0.82 -0.53 2.23 3.38 -1.26 -1.72 115.31 119.01 3iah h LEU 136 Ca 0.00 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3iah h LEU 136 Cb 0.57 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 3iah h LEU 136 CO 0.00 0.57 0.22 -0.65 0.09 0.00 0.00 178.44 178.67 3iah h PRO 137 N 0.97 0.41 -0.55 1.13 0.11 -1.80 0.75 132.00 133.01 3iah h PRO 137 Ca 0.30 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.36 3iah h PRO 137 Cb -0.03 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 30.97 3iah h PRO 137 CO -0.10 0.27 0.26 -0.07 -0.21 0.00 0.00 178.00 178.15 3iah h LEU 138 N 0.42 0.73 -1.33 2.35 3.38 -1.76 -2.75 115.31 116.36 3iah h LEU 138 Ca 0.25 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3iah h LEU 138 Cb 0.24 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3iah h LEU 138 CO -0.23 0.67 0.39 -0.07 0.09 0.00 0.00 178.44 179.29 3iah h LEU 139 N 0.75 0.74 0.00 1.67 3.38 -0.66 -1.84 115.31 119.34 3iah h LEU 139 Ca 0.19 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3iah h LEU 139 Cb 0.14 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3iah h LEU 139 CO -0.02 0.56 0.00 0.18 0.09 0.00 0.00 178.44 179.25 3iah n LEU 140 N -4.42 0.00 0.04 1.67 4.77 0.19 -2.39 117.00 116.86 3iah n LEU 140 Ca 0.06 0.47 0.13 0.00 -0.03 0.00 0.00 56.01 56.64 3iah n LEU 140 Cb 0.06 -0.47 0.36 0.00 -2.33 0.00 0.00 43.42 41.04 3iah n LEU 140 CO 0.36 -0.15 0.65 0.29 -1.33 0.00 0.00 177.39 177.21 3iah n LYS 141 N -1.47 0.14 -2.25 3.23 4.76 -0.75 -4.86 118.16 116.95 3iah n LYS 141 Ca 0.05 0.07 -0.33 0.00 -2.87 0.00 0.00 58.31 55.24 3iah n LYS 141 Cb 0.22 -1.62 -0.01 0.00 -1.84 0.00 0.00 35.03 31.78 3iah n LYS 141 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3iah s SER 142 N -3.68 6.15 0.37 4.39 0.15 -1.01 -4.94 113.70 115.14 3iah s SER 142 Ca 0.10 1.77 0.17 0.00 0.70 0.00 0.00 55.95 58.69 3iah s SER 142 Cb 0.16 -2.53 0.72 0.00 -1.71 0.00 0.00 66.02 62.65 3iah s SER 142 CO 0.64 -0.91 1.77 -2.24 1.20 0.00 0.00 173.24 173.69 3iah h ASP 143 N 0.82 0.00 -0.40 5.45 2.03 -1.89 -3.39 116.42 119.04 3iah h ASP 143 Ca -0.47 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 55.65 3iah h ASP 143 Cb 1.21 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 39.56 3iah h ASP 143 CO 0.59 0.39 -0.46 0.00 -1.03 0.00 0.00 179.24 178.73 3iah n ALA 144 N -2.35 -1.78 -1.77 4.15 0.00 -1.26 -4.87 120.51 112.63 3iah n ALA 144 Ca -0.01 -1.15 -0.36 0.00 0.00 0.00 0.00 53.44 51.92 3iah n ALA 144 Cb 0.48 -1.55 0.01 0.00 0.00 0.00 0.00 19.45 18.39 3iah n ALA 144 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3iah s GLY 145 N -0.54 2.70 -0.14 0.00 0.00 -1.06 -4.89 107.32 103.39 3iah s GLY 145 Ca 0.31 0.91 -0.00 0.00 0.00 0.00 0.00 44.72 45.94 3iah s GLY 145 CO -0.16 1.30 -0.10 -0.45 0.00 0.00 0.00 173.10 173.69 3iah s SER 146 N -1.63 2.52 -0.22 1.64 0.15 -0.36 -0.96 113.70 114.83 3iah s SER 146 Ca 0.73 -0.45 -0.06 0.00 0.70 0.00 0.00 55.95 56.87 3iah s SER 146 Cb -0.27 -0.99 -0.02 0.00 -1.71 0.00 0.00 66.02 63.02 3iah s SER 146 CO 0.30 -0.11 0.01 -0.22 1.20 0.00 0.00 173.24 174.43 3iah s LEU 147 N 1.60 3.23 -0.10 3.45 2.96 -0.36 -1.51 118.68 127.95 3iah s LEU 147 Ca 0.04 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 53.72 3iah s LEU 147 Cb -0.13 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 44.73 3iah s LEU 147 CO -0.09 0.01 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.09 3iah s VAL 148 N 1.34 1.57 0.24 1.68 1.01 0.05 -1.79 120.40 124.50 3iah s VAL 148 Ca 0.04 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.39 3iah s VAL 148 Cb -0.15 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 3iah s VAL 148 CO 0.01 0.45 0.29 -0.36 0.00 0.00 0.00 175.10 175.49 3iah s PHE 149 N 0.84 3.31 -0.20 5.22 0.08 -0.37 -0.26 117.98 126.59 3iah s PHE 149 Ca -0.09 -0.06 -0.02 0.00 0.12 0.00 0.00 56.93 56.88 3iah s PHE 149 Cb -0.15 -1.50 0.00 0.00 -0.57 0.00 0.00 43.02 40.79 3iah s PHE 149 CO 0.01 0.48 -0.09 0.99 -0.10 0.00 0.00 175.22 176.50 3iah s THR 150 N -2.04 2.96 0.00 0.64 2.01 -1.03 -1.21 115.64 116.97 3iah s THR 150 Ca 0.33 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.70 3iah s THR 150 Cb -0.09 -2.32 0.00 0.00 0.01 0.00 0.00 72.50 70.11 3iah s THR 150 CO 0.27 0.46 0.00 -0.24 -0.69 0.00 0.00 174.62 174.42 3iah n SER 151 N 4.69 0.00 -3.66 3.53 2.88 -0.00 -4.95 113.62 116.12 3iah n SER 151 Ca -0.19 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.30 3iah n SER 151 Cb 0.51 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.95 3iah n SER 151 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3iah s SER 152 N -0.82 -0.24 0.47 -3.46 0.15 -1.26 -4.56 113.70 103.97 3iah s SER 152 Ca 0.00 -0.24 0.14 0.00 0.70 0.00 0.00 55.95 56.54 3iah s SER 152 Cb 0.00 0.43 1.10 0.00 -1.71 0.00 0.00 66.02 65.84 3iah s SER 152 CO 0.00 -0.77 2.06 0.28 1.20 0.00 0.00 173.24 176.02 3iah h SER 153 N 2.00 0.24 0.36 5.45 0.02 -1.95 -0.39 113.55 119.29 3iah h SER 153 Ca -0.24 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 3iah h SER 153 Cb 1.23 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.72 3iah h SER 153 CO 0.27 0.16 0.00 1.33 -1.14 0.00 0.00 176.83 177.46 3iah n VAL 154 N -4.48 0.07 0.69 2.27 0.24 -1.26 -2.57 118.33 113.28 3iah n VAL 154 Ca 0.03 0.02 0.13 0.00 -2.04 0.00 0.00 64.34 62.48 3iah n VAL 154 Cb 0.20 -0.56 0.38 0.00 -1.47 0.00 0.00 33.84 32.39 3iah n VAL 154 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iah n GLY 155 N 0.99 -1.59 0.01 7.63 0.00 -0.15 -4.04 105.19 108.04 3iah n GLY 155 Ca 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 46.02 46.08 3iah n GLY 155 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3iah n ARG 156 N -2.09 1.94 -3.67 1.61 1.85 -1.13 -3.94 116.66 111.24 3iah n ARG 156 Ca 0.05 -0.02 -0.26 0.00 -1.00 0.00 0.00 57.85 56.63 3iah n ARG 156 Cb 0.41 -1.11 -0.17 0.00 -1.05 0.00 0.00 32.46 30.54 3iah n ARG 156 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 3iah s GLN 157 N -2.20 0.29 0.46 2.89 2.00 -1.06 -5.13 119.66 116.91 3iah s GLN 157 Ca -0.02 -0.12 -0.24 0.00 -2.00 0.00 0.00 55.36 52.97 3iah s GLN 157 Cb 0.02 -1.70 -0.07 0.00 0.80 0.00 0.00 33.01 32.06 3iah s GLN 157 CO 0.18 -0.59 1.32 0.20 -0.50 0.00 0.00 175.29 175.91 3iah s GLY 158 N 2.03 2.89 0.03 2.59 0.00 -1.26 -4.19 107.32 109.41 3iah s GLY 158 Ca 0.02 1.26 0.04 0.00 0.00 0.00 0.00 44.72 46.03 3iah s GLY 158 CO -0.08 1.81 -0.11 0.50 0.00 0.00 0.00 173.10 175.22 3iah s ARG 159 N -2.53 0.76 0.26 2.90 0.52 -1.26 -5.07 118.95 114.52 3iah s ARG 159 Ca 0.63 -0.66 -0.29 0.00 -0.52 0.00 0.00 55.73 54.88 3iah s ARG 159 Cb -0.38 -0.71 -0.14 0.00 0.52 0.00 0.00 34.95 34.23 3iah s ARG 159 CO 0.48 0.17 1.06 0.00 0.02 0.00 0.00 175.30 177.03 3iah n ALA 160 N 1.98 -0.33 -0.89 2.13 0.00 -1.26 -2.39 120.51 119.75 3iah n ALA 160 Ca -0.18 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3iah n ALA 160 Cb 0.55 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.97 3iah n ALA 160 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3iah n ASN 161 N 1.49 -0.73 -0.93 0.00 3.02 -1.26 -4.87 115.26 111.98 3iah n ASN 161 Ca 0.11 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.77 3iah n ASN 161 Cb 0.30 -0.78 0.27 0.00 -0.61 0.00 0.00 39.78 38.96 3iah n ASN 161 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 3iah n TRP 162 N -2.14 0.45 0.00 3.10 7.02 -1.00 -0.83 117.44 124.04 3iah n TRP 162 Ca 0.00 -0.23 0.00 0.00 -1.02 0.00 0.00 57.50 56.25 3iah n TRP 162 Cb 0.03 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.92 3iah n TRP 162 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3iah n GLY 163 N 1.35 0.00 0.37 6.99 0.00 -1.26 -1.21 105.19 111.44 3iah n GLY 163 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 3iah n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iah h ALA 164 N 0.00 1.27 0.11 4.61 0.00 -1.90 -2.30 119.26 121.06 3iah h ALA 164 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3iah h ALA 164 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.41 3iah h ALA 164 CO 0.00 0.65 -0.05 -0.92 0.00 0.00 0.00 179.25 178.93 3iah h TYR 165 N 1.30 -0.14 -0.50 0.00 3.20 -1.59 0.71 116.97 119.94 3iah h TYR 165 Ca 0.34 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.22 3iah h TYR 165 Cb -0.10 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3iah h TYR 165 CO 0.00 -0.05 0.33 0.00 -1.64 0.00 0.00 178.16 176.81 3iah h ALA 166 N 0.69 0.64 -0.94 1.82 0.00 -1.06 -0.83 119.26 119.59 3iah h ALA 166 Ca -0.02 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3iah h ALA 166 Cb 0.15 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3iah h ALA 166 CO 0.03 0.09 0.62 1.15 0.00 0.00 0.00 179.25 181.13 3iah h THR 167 N 0.68 1.24 -0.01 0.00 2.02 -1.25 -1.19 112.91 114.40 3iah h THR 167 Ca 0.18 -0.44 -0.10 0.00 0.77 0.00 0.00 66.41 66.83 3iah h THR 167 Cb -0.08 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.18 3iah h THR 167 CO -0.04 0.23 -0.48 0.77 0.37 0.00 0.00 175.52 176.37 3iah h SER 168 N 1.27 0.02 0.55 4.18 4.64 -0.31 -1.81 113.55 122.09 3iah h SER 168 Ca 0.34 -0.01 -0.25 0.00 -0.47 0.00 0.00 61.79 61.40 3iah h SER 168 Cb -0.15 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 3iah h SER 168 CO -0.07 0.50 -1.10 0.11 -0.87 0.00 0.00 176.83 175.40 3iah h LYS 169 N 0.02 0.29 -0.22 4.77 1.79 -0.44 -1.06 116.57 121.72 3iah h LYS 169 Ca -0.00 -0.41 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 3iah h LYS 169 Cb 0.86 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.64 3iah h LYS 169 CO 0.06 1.15 0.14 0.74 -1.08 0.00 0.00 179.45 180.46 3iah h PHE 170 N 0.12 0.26 -0.77 -1.35 -1.00 -1.12 -2.22 116.94 110.87 3iah h PHE 170 Ca -0.10 0.01 0.08 0.00 2.81 0.00 0.00 57.97 60.76 3iah h PHE 170 Cb 1.79 -0.09 -0.07 0.00 3.61 0.00 0.00 35.95 41.20 3iah h PHE 170 CO 0.06 0.16 0.43 0.00 -1.61 0.00 0.00 178.31 177.35 3iah h ALA 171 N 1.09 1.07 -0.33 2.45 0.00 -1.24 -1.74 119.26 120.56 3iah h ALA 171 Ca 0.08 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3iah h ALA 171 Cb -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3iah h ALA 171 CO -0.03 0.09 0.08 1.15 0.00 0.00 0.00 179.25 180.54 3iah h THR 172 N 0.76 0.86 -0.89 0.00 2.02 -0.91 -1.86 112.91 112.89 3iah h THR 172 Ca 0.36 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.45 3iah h THR 172 Cb 0.29 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 3iah h THR 172 CO -0.22 0.04 0.49 -0.33 0.37 0.00 0.00 175.52 175.86 3iah h GLU 173 N 0.20 1.24 -4.96 6.66 5.08 -0.82 -3.42 114.58 118.56 3iah h GLU 173 Ca 0.15 -0.15 -0.52 0.00 -1.00 0.00 0.00 59.36 57.85 3iah h GLU 173 Cb 0.16 -0.24 0.12 0.00 0.50 0.00 0.00 28.75 29.28 3iah h GLU 173 CO -0.19 0.91 1.29 0.41 -1.00 0.00 0.00 179.01 180.43 3iah n GLY 174 N -1.14 0.61 4.18 -3.84 0.00 -0.70 -4.68 105.19 99.63 3iah n GLY 174 Ca 0.09 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3iah n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iah n GLN 177 N 7.92 0.00 0.11 1.61 6.02 -1.26 -4.67 117.38 127.11 3iah n GLN 177 Ca 0.46 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 57.32 3iah n GLN 177 Cb 0.43 -0.05 -0.08 0.00 1.02 0.00 0.00 30.24 31.56 3iah n GLN 177 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3iah h VAL 178 N 0.00 0.87 -0.61 5.09 2.07 -1.96 -2.09 116.25 119.61 3iah h VAL 178 Ca 0.00 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.46 3iah h VAL 178 Cb 0.00 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3iah h VAL 178 CO 0.00 0.02 0.40 -0.07 0.02 0.00 0.00 177.57 177.94 3iah h LEU 179 N -0.23 0.68 -0.67 2.57 3.38 -1.96 -1.73 115.31 117.35 3iah h LEU 179 Ca -0.02 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3iah h LEU 179 Cb 0.18 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3iah h LEU 179 CO 0.03 0.49 0.40 0.00 0.09 0.00 0.00 178.44 179.46 3iah h ALA 180 N 1.23 0.89 -0.32 1.53 0.00 -1.80 -1.48 119.26 119.31 3iah h ALA 180 Ca 0.23 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3iah h ALA 180 Cb -0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3iah h ALA 180 CO -0.06 0.12 -0.01 0.22 0.00 0.00 0.00 179.25 179.53 3iah h ASP 181 N 0.76 0.56 -0.58 0.00 3.58 -1.11 -0.50 116.42 119.13 3iah h ASP 181 Ca 0.29 -0.31 0.02 0.00 0.42 0.00 0.00 57.03 57.44 3iah h ASP 181 Cb 0.10 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 3iah h ASP 181 CO -0.14 0.74 0.39 -0.33 -2.88 0.00 0.00 179.24 177.01 3iah h GLU 182 N 0.37 0.72 -0.58 0.28 5.08 -0.78 -2.92 114.58 116.75 3iah h GLU 182 Ca 0.09 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3iah h GLU 182 Cb 0.45 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3iah h GLU 182 CO 0.02 0.47 0.00 0.66 -1.00 0.00 0.00 179.01 179.16 3iah n TYR 183 N -4.46 0.77 -0.35 4.33 4.01 -0.61 -4.78 117.16 116.08 3iah n TYR 183 Ca 0.06 -0.49 -0.09 0.00 -0.16 0.00 0.00 57.90 57.22 3iah n TYR 183 Cb 0.09 -0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 39.04 3iah n TYR 183 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 3iah n GLN 184 N 1.21 -0.35 -0.40 -0.72 -0.06 -0.21 -1.14 117.38 115.71 3iah n GLN 184 Ca 0.19 1.26 0.11 0.00 -2.00 0.00 0.00 57.00 56.57 3iah n GLN 184 Cb 0.55 -1.85 0.32 0.00 -4.06 0.00 0.00 30.24 25.20 3iah n GLN 184 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 3iah n ASN 185 N -5.05 3.97 -4.90 1.69 3.02 -1.26 -4.95 115.26 107.77 3iah n ASN 185 Ca 0.02 -2.06 -0.21 0.00 -0.03 0.00 0.00 54.58 52.30 3iah n ASN 185 Cb 0.23 -0.49 0.09 0.00 -0.61 0.00 0.00 39.78 38.99 3iah n ASN 185 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3iah s ARG 186 N -1.14 2.00 0.53 3.52 0.52 -0.29 -5.02 118.95 119.07 3iah s ARG 186 Ca 0.49 -1.55 0.34 0.00 -0.52 0.00 0.00 55.73 54.48 3iah s ARG 186 Cb 0.26 -2.53 1.48 0.00 0.52 0.00 0.00 34.95 34.68 3iah s ARG 186 CO 0.32 -1.15 2.01 0.66 0.02 0.00 0.00 175.30 177.15 3iah h SER 187 N -0.12 0.00 -3.25 0.23 4.64 -1.90 -3.44 113.55 109.71 3iah h SER 187 Ca -0.30 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.43 3iah h SER 187 Cb 1.28 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.29 3iah h SER 187 CO 0.39 0.00 -0.24 -0.22 -0.87 0.00 0.00 176.83 175.89 3iah s LEU 188 N -5.96 4.29 0.07 5.97 2.96 -1.26 -2.57 118.68 122.18 3iah s LEU 188 Ca 0.01 0.69 0.03 0.00 -0.22 0.00 0.00 54.13 54.64 3iah s LEU 188 Cb 0.09 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 44.22 3iah s LEU 188 CO 0.50 0.10 0.05 0.00 -1.32 0.00 0.00 176.35 175.68 3iah s ARG 189 N 0.26 2.80 -0.03 1.98 1.70 -0.14 -4.59 118.95 120.92 3iah s ARG 189 Ca 0.21 -0.70 -0.00 0.00 -0.47 0.00 0.00 55.73 54.77 3iah s ARG 189 Cb -0.14 -2.68 0.03 0.00 -0.57 0.00 0.00 34.95 31.58 3iah s ARG 189 CO 0.08 0.57 0.02 0.08 -1.08 0.00 0.00 175.30 174.97 3iah s VAL 190 N -1.31 0.08 0.25 4.99 1.01 -1.26 -1.22 120.40 122.94 3iah s VAL 190 Ca 0.27 0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.36 3iah s VAL 190 Cb -0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 3iah s VAL 190 CO 0.19 0.15 0.39 0.20 0.00 0.00 0.00 175.10 176.04 3iah s ASN 191 N 1.38 0.15 0.19 3.32 0.01 -0.74 0.50 114.94 119.76 3iah s ASN 191 Ca -0.05 -1.14 0.11 0.00 -0.71 0.00 0.00 52.86 51.07 3iah s ASN 191 Cb -0.13 0.55 -0.04 0.00 0.41 0.00 0.00 41.25 42.04 3iah s ASN 191 CO -0.03 -1.10 -0.24 0.00 -1.51 0.00 0.00 177.10 174.22 3iah s ILE 193 N -1.66 1.97 -0.41 0.00 1.01 -0.35 -0.97 121.20 120.79 3iah s ILE 193 Ca 0.21 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 59.77 3iah s ILE 193 Cb -0.08 -1.70 0.06 0.00 0.01 0.00 0.00 42.46 40.75 3iah s ILE 193 CO 0.10 0.54 0.26 0.21 0.00 0.00 0.00 174.94 176.05 3iah s ASN 194 N 0.28 5.74 0.50 3.58 2.47 0.45 -0.82 114.94 127.14 3iah s ASN 194 Ca -0.16 -1.32 0.25 0.00 0.42 0.00 0.00 52.86 52.05 3iah s ASN 194 Cb -0.17 -2.02 1.30 0.00 -1.45 0.00 0.00 41.25 38.90 3iah s ASN 194 CO 0.08 -0.50 2.01 -0.65 -3.72 0.00 0.00 177.10 174.31 3iah h PRO 195 N 8.46 0.00 -0.35 0.43 0.11 -1.84 -0.07 132.00 138.73 3iah h PRO 195 Ca -0.24 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.90 3iah h PRO 195 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3iah h PRO 195 CO 0.75 0.16 -0.09 0.41 -0.21 0.00 0.00 178.00 179.01 3iah n GLY 196 N -0.53 -1.97 3.65 -0.55 0.00 -1.26 -4.21 105.19 100.32 3iah n GLY 196 Ca -0.01 -1.46 -0.48 0.00 0.00 0.00 0.00 46.02 44.07 3iah n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iah n GLY 197 N -2.59 1.36 3.09 -0.02 0.00 -1.26 -4.95 105.19 100.82 3iah n GLY 197 Ca -0.00 0.86 -0.17 0.00 0.00 0.00 0.00 46.02 46.71 3iah n GLY 197 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iah s THR 198 N 4.82 0.81 -0.92 2.61 2.01 -1.26 -4.19 115.64 119.52 3iah s THR 198 Ca 0.95 -0.97 -0.24 0.00 0.31 0.00 0.00 61.69 61.74 3iah s THR 198 Cb -0.66 -0.79 -0.05 0.00 0.01 0.00 0.00 72.50 71.01 3iah s THR 198 CO 0.49 -0.15 1.95 -0.60 -0.69 0.00 0.00 174.62 175.62 3iah s ARG 199 N -1.25 2.54 0.18 4.92 3.52 -0.45 -4.64 118.95 123.77 3iah s ARG 199 Ca -0.03 -0.35 -0.03 0.00 -0.13 0.00 0.00 55.73 55.19 3iah s ARG 199 Cb -0.08 -5.07 -0.03 0.00 -1.56 0.00 0.00 34.95 28.20 3iah s ARG 199 CO 0.01 -3.44 0.16 0.95 -0.81 0.00 0.00 175.30 172.17 3iah s THR 200 N 10.22 0.04 0.00 4.11 -4.23 -1.26 -4.56 115.64 119.97 3iah s THR 200 Ca 0.70 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 3iah s THR 200 Cb -0.06 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.55 3iah s THR 200 CO 0.00 -0.19 0.98 -1.54 -0.54 0.00 0.00 174.62 173.33 3iah n SER 201 N -0.22 2.64 0.00 3.99 3.41 -1.26 -1.99 113.62 120.20 3iah n SER 201 Ca -0.02 -1.64 0.00 0.00 -0.26 0.00 0.00 58.87 56.95 3iah n SER 201 Cb 0.64 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3iah n SER 201 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3iah n ARG 203 N 1.57 0.00 -0.06 4.33 3.00 -1.26 -1.63 116.66 122.61 3iah n ARG 203 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.86 3iah n ARG 203 Cb 0.27 0.00 0.33 0.00 0.00 0.00 0.00 32.46 33.05 3iah n ARG 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3iah h ALA 204 N 0.00 1.51 -0.17 5.13 0.00 -1.67 -0.28 119.26 123.79 3iah h ALA 204 Ca 0.00 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 3iah h ALA 204 Cb 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3iah h ALA 204 CO 0.00 0.39 -0.62 0.77 0.00 0.00 0.00 179.25 179.79 3iah h SER 205 N 0.67 0.67 -0.41 0.00 0.02 -1.59 -2.52 113.55 110.38 3iah h SER 205 Ca 0.17 -0.38 -0.15 0.00 -0.84 0.00 0.00 61.79 60.59 3iah h SER 205 Cb 0.07 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3iah h SER 205 CO -0.02 1.12 -0.31 0.00 -1.14 0.00 0.00 176.83 176.48 3iah h ALA 206 N 0.88 0.59 -2.83 3.77 0.00 -1.68 -3.36 119.26 116.64 3iah h ALA 206 Ca -0.01 -0.43 -0.61 0.00 0.00 0.00 0.00 54.91 53.87 3iah h ALA 206 Cb 1.19 -0.13 -0.41 0.00 0.00 0.00 0.00 17.79 18.44 3iah h ALA 206 CO 0.12 0.65 -0.68 1.19 0.00 0.00 0.00 179.25 180.52 3iah n PHE 207 N -4.10 2.22 0.32 0.00 3.72 -0.17 -4.98 117.46 114.46 3iah n PHE 207 Ca -0.02 -4.05 0.20 0.00 -0.05 0.00 0.00 57.45 53.53 3iah n PHE 207 Cb 0.51 -0.41 1.06 0.00 -0.94 0.00 0.00 39.48 39.70 3iah n PHE 207 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3iah h PRO 208 N 5.32 0.00 -0.00 -1.08 0.13 -1.61 -1.60 132.00 133.16 3iah h PRO 208 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3iah h PRO 208 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3iah h PRO 208 CO 0.64 0.01 -0.58 0.25 -0.23 0.00 0.00 178.00 178.09 3iah n THR 209 N -3.26 0.00 -2.07 1.56 -2.24 -1.26 -4.95 114.28 102.06 3iah n THR 209 Ca -0.02 -0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.35 3iah n THR 209 Cb 0.12 0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 3iah n THR 209 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3iah s GLU 210 N -2.99 4.06 -0.45 -0.78 2.12 -0.60 -4.98 118.70 115.09 3iah s GLU 210 Ca 0.11 2.17 -0.24 0.00 0.36 0.00 0.00 54.97 57.37 3iah s GLU 210 Cb 0.17 -2.83 0.03 0.00 0.26 0.00 0.00 34.13 31.76 3iah s GLU 210 CO 0.72 -0.42 0.84 0.34 -0.54 0.00 0.00 175.26 176.20 3iah s ASP 211 N -0.68 6.45 0.60 -1.70 -1.08 -1.26 -4.93 116.67 114.07 3iah s ASP 211 Ca 0.55 -0.01 0.35 0.00 -0.52 0.00 0.00 52.55 52.92 3iah s ASP 211 Cb -0.38 -2.41 1.90 0.00 -1.46 0.00 0.00 42.92 40.57 3iah s ASP 211 CO 0.50 -0.96 2.22 -0.65 0.52 0.00 0.00 175.17 176.80 3iah h PRO 212 N 9.00 0.00 0.00 4.34 0.11 -1.95 -1.71 132.00 141.78 3iah h PRO 212 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3iah h PRO 212 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3iah h PRO 212 CO 0.98 0.03 0.00 1.04 -0.21 0.00 0.00 178.00 179.85 3iah n GLN 213 N -3.43 0.13 0.00 1.05 1.13 -1.26 -1.37 117.38 113.63 3iah n GLN 213 Ca -0.02 0.46 0.13 0.00 -1.94 0.00 0.00 57.00 55.63 3iah n GLN 213 Cb 0.14 -1.80 0.51 0.00 0.11 0.00 0.00 30.24 29.21 3iah n GLN 213 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3iah n LYS 214 N -2.06 0.02 -3.91 -1.09 4.76 -0.64 -4.89 118.16 110.35 3iah n LYS 214 Ca 0.01 -0.01 -0.23 0.00 -2.87 0.00 0.00 58.31 55.21 3iah n LYS 214 Cb 0.15 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.82 3iah n LYS 214 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3iah s LEU 215 N -2.98 4.30 0.59 -0.35 1.43 -0.47 -5.02 118.68 116.18 3iah s LEU 215 Ca 0.14 0.14 -0.16 0.00 -1.03 0.00 0.00 54.13 53.22 3iah s LEU 215 Cb 0.19 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 3iah s LEU 215 CO 0.58 -0.04 1.06 -0.54 0.23 0.00 0.00 176.35 177.63 3iah s LYS 216 N -3.72 3.33 0.50 1.70 -0.14 -1.26 -4.75 119.74 115.40 3iah s LYS 216 Ca 0.35 1.21 -0.01 0.00 -1.36 0.00 0.00 55.97 56.16 3iah s LYS 216 Cb -0.10 -2.03 0.01 0.00 -1.68 0.00 0.00 37.83 34.02 3iah s LYS 216 CO 0.29 -0.80 0.74 0.95 -0.76 0.00 0.00 175.35 175.77 3iah s THR 217 N -2.43 3.65 0.30 2.17 -4.23 -1.26 -1.34 115.64 112.50 3iah s THR 217 Ca 0.64 -0.44 0.02 0.00 -1.18 0.00 0.00 61.69 60.73 3iah s THR 217 Cb -0.16 -3.37 0.29 0.00 1.34 0.00 0.00 72.50 70.60 3iah s THR 217 CO 0.36 -0.28 1.88 -0.65 -0.54 0.00 0.00 174.62 175.39 3iah h PRO 218 N 0.22 0.93 -0.87 3.99 0.11 -1.93 -1.59 132.00 132.86 3iah h PRO 218 Ca -0.45 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 65.64 3iah h PRO 218 Cb 1.26 -0.21 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 3iah h PRO 218 CO 0.57 0.62 0.56 0.00 -0.21 0.00 0.00 178.00 179.54 3iah h ALA 219 N 1.53 1.16 -0.14 -0.75 0.00 -1.95 -2.59 119.26 116.53 3iah h ALA 219 Ca 0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 3iah h ALA 219 Cb 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3iah h ALA 219 CO -0.20 0.39 0.03 -0.44 0.00 0.00 0.00 179.25 179.04 3iah h ASP 220 N 1.08 0.17 -3.08 0.00 3.32 -1.66 -3.43 116.42 112.82 3iah h ASP 220 Ca 0.35 -0.01 -0.77 0.00 0.02 0.00 0.00 57.03 56.62 3iah h ASP 220 Cb 0.03 -0.04 -0.24 0.00 0.22 0.00 0.00 39.33 39.30 3iah h ASP 220 CO -0.13 0.18 0.74 0.27 -1.72 0.00 0.00 179.24 178.59 3iah s ILE 221 N -5.08 5.61 0.00 0.35 -4.36 -0.98 -4.99 121.20 111.76 3iah s ILE 221 Ca -0.06 -3.04 0.00 0.00 -0.26 0.00 0.00 60.65 57.30 3iah s ILE 221 Cb 0.17 -4.71 0.00 0.00 1.25 0.00 0.00 42.46 39.17 3iah s ILE 221 CO 0.70 -1.33 0.00 -2.65 0.24 0.00 0.00 174.94 171.90 3iah n PRO 223 N 3.90 0.00 -0.24 0.37 -0.02 -1.26 -4.12 135.00 133.63 3iah n PRO 223 Ca 0.27 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.70 3iah n PRO 223 Cb 0.41 -0.04 0.10 0.00 -0.02 0.00 0.00 33.50 33.95 3iah n PRO 223 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3iah h LEU 224 N 0.00 1.00 -0.75 2.45 5.85 -1.94 0.08 115.31 122.01 3iah h LEU 224 Ca 0.00 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.56 3iah h LEU 224 Cb 0.00 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 3iah h LEU 224 CO 0.00 0.92 0.50 1.88 -0.34 0.00 0.00 178.44 181.40 3iah h TYR 225 N 1.04 0.94 -0.20 1.25 0.05 -2.01 -1.72 116.97 116.32 3iah h TYR 225 Ca 0.23 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.97 3iah h TYR 225 Cb 0.27 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 37.69 3iah h TYR 225 CO 0.02 0.59 -0.14 -0.07 -1.05 0.00 0.00 178.16 177.51 3iah h LEU 226 N 1.01 0.48 -0.68 3.88 3.38 -1.84 -3.28 115.31 118.26 3iah h LEU 226 Ca 0.28 -0.44 0.07 0.00 0.09 0.00 0.00 57.88 57.87 3iah h LEU 226 Cb -0.11 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 3iah h LEU 226 CO -0.06 0.82 0.37 -0.25 0.09 0.00 0.00 178.44 179.40 3iah h TRP 227 N 0.14 0.67 0.00 1.13 7.01 -0.65 -1.59 115.95 122.66 3iah h TRP 227 Ca 0.04 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.07 3iah h TRP 227 Cb 0.66 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.52 3iah h TRP 227 CO 0.07 0.30 0.00 1.28 -2.79 0.00 0.00 178.44 177.30 3iah n LEU 228 N -4.80 1.19 0.00 0.65 4.77 -0.68 -3.83 117.00 114.30 3iah n LEU 228 Ca 0.09 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3iah n LEU 228 Cb 0.20 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3iah n LEU 228 CO 0.28 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3iah n GLY 230 N 0.75 0.00 0.27 -0.72 0.00 -0.60 -4.86 105.19 100.03 3iah n GLY 230 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 3iah n GLY 230 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3iah h ASP 231 N 0.00 0.00 0.42 1.61 5.19 -1.85 -3.17 116.42 118.62 3iah h ASP 231 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 3iah h ASP 231 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 3iah h ASP 231 CO 0.00 0.00 -0.03 0.44 -3.12 0.00 0.00 179.24 176.53 3iah h ASP 232 N 0.00 0.00 -0.57 6.45 3.32 -1.96 -2.73 116.42 120.93 3iah h ASP 232 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3iah h ASP 232 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3iah h ASP 232 CO 0.00 0.03 0.00 -1.54 -1.72 0.00 0.00 179.24 176.01 3iah n SER 233 N -3.23 3.78 -0.10 6.45 3.41 -1.20 -4.71 113.62 118.03 3iah n SER 233 Ca -0.02 -2.13 0.21 0.00 -0.26 0.00 0.00 58.87 56.67 3iah n SER 233 Cb 0.19 -0.43 0.64 0.00 -0.26 0.00 0.00 64.21 64.35 3iah n SER 233 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3iah h ARG 234 N 3.41 0.13 -0.10 4.33 3.08 -1.67 -1.01 114.38 122.55 3iah h ARG 234 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3iah h ARG 234 Cb 1.02 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.04 3iah h ARG 234 CO 0.05 0.08 0.00 0.54 -1.07 0.00 0.00 179.97 179.58 3iah n ARG 235 N -4.39 1.67 -3.86 0.04 1.74 -1.26 -4.86 116.66 105.74 3iah n ARG 235 Ca 0.14 -0.99 -0.36 0.00 -0.77 0.00 0.00 57.85 55.87 3iah n ARG 235 Cb 0.68 -1.43 -0.12 0.00 -1.02 0.00 0.00 32.46 30.58 3iah n ARG 235 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3iah s LYS 236 N -1.88 3.76 0.05 5.56 -0.14 -0.38 -5.08 119.74 121.63 3iah s LYS 236 Ca 0.35 -0.43 -0.11 0.00 -1.36 0.00 0.00 55.97 54.41 3iah s LYS 236 Cb 0.19 -3.29 0.01 0.00 -1.68 0.00 0.00 37.83 33.05 3iah s LYS 236 CO 0.29 -0.04 0.24 -0.08 -0.76 0.00 0.00 175.35 175.01 3iah s THR 237 N 1.21 0.10 -0.34 2.17 -1.32 -1.26 -4.58 115.64 111.61 3iah s THR 237 Ca 0.05 -0.83 -0.02 0.00 -1.21 0.00 0.00 61.69 59.68 3iah s THR 237 Cb -0.14 -0.98 -0.02 0.00 -1.51 0.00 0.00 72.50 69.85 3iah s THR 237 CO 0.03 -0.46 0.30 0.61 -2.21 0.00 0.00 174.62 172.90 3iah n GLY 238 N 0.54 0.24 3.21 6.08 0.00 0.18 -4.96 105.19 110.49 3iah n GLY 238 Ca -0.18 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 3iah n GLY 238 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iah s THR 240 N -3.13 -0.54 -0.14 2.61 2.01 -1.26 -4.88 115.64 110.32 3iah s THR 240 Ca 0.13 0.18 -0.04 0.00 0.31 0.00 0.00 61.69 62.28 3iah s THR 240 Cb -0.02 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 3iah s THR 240 CO 0.24 0.08 0.01 -0.36 -0.69 0.00 0.00 174.62 173.89 3iah s PHE 241 N 2.45 3.15 -0.17 4.92 0.08 -0.14 -4.96 117.98 123.31 3iah s PHE 241 Ca -0.02 0.01 -0.19 0.00 0.12 0.00 0.00 56.93 56.85 3iah s PHE 241 Cb -0.12 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.37 3iah s PHE 241 CO -0.12 0.22 0.53 -0.51 -0.10 0.00 0.00 175.22 175.24 3iah s ASP 242 N -0.14 6.62 0.45 1.36 -0.00 -1.26 -0.41 116.67 123.30 3iah s ASP 242 Ca 0.05 0.75 0.25 0.00 -0.00 0.00 0.00 52.55 53.60 3iah s ASP 242 Cb -0.13 -2.30 0.97 0.00 -0.00 0.00 0.00 42.92 41.47 3iah s ASP 242 CO 0.02 -0.14 1.85 0.00 -0.00 0.00 0.00 175.17 176.89 3iah h ALA 243 N 7.25 1.02 -2.06 5.23 0.00 -1.22 -3.34 119.26 126.14 3iah h ALA 243 Ca -0.36 -0.18 -0.56 0.00 0.00 0.00 0.00 54.91 53.81 3iah h ALA 243 Cb 1.16 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.52 3iah h ALA 243 CO 0.75 0.25 -0.96 1.04 0.00 0.00 0.00 179.25 180.33 3iah n GLN 244 N -3.36 1.35 -0.35 0.00 6.02 -1.26 -4.97 117.38 114.81 3iah n GLN 244 Ca 0.00 -3.71 0.14 0.00 -0.01 0.00 0.00 57.00 53.42 3iah n GLN 244 Cb 0.41 -1.59 0.33 0.00 1.02 0.00 0.00 30.24 30.42 3iah n GLN 244 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3iah h PRO 245 N 3.91 0.67 -0.19 -1.09 0.13 -1.95 -1.78 132.00 131.68 3iah h PRO 245 Ca 0.11 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3iah h PRO 245 Cb 0.81 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.79 3iah h PRO 245 CO 0.58 0.44 0.00 0.41 -0.23 0.00 0.00 178.00 179.20 3iah n GLY 246 N -1.32 0.32 3.72 1.56 0.00 -1.26 -4.92 105.19 103.28 3iah n GLY 246 Ca 0.24 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3iah n GLY 246 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3iah s ARG 247 N -1.75 4.50 -0.06 1.61 3.52 -0.67 -4.97 118.95 121.13 3iah s ARG 247 Ca 0.31 1.68 -0.30 0.00 -0.13 0.00 0.00 55.73 57.29 3iah s ARG 247 Cb 0.16 -3.35 -0.05 0.00 -1.56 0.00 0.00 34.95 30.15 3iah s ARG 247 CO 0.24 -0.13 1.61 0.21 -0.81 0.00 0.00 175.30 176.42 3iah s LYS 248 N 0.69 4.19 0.71 5.12 2.47 -1.26 -4.95 119.74 126.71 3iah s LYS 248 Ca 0.55 2.14 -0.16 0.00 -1.56 0.00 0.00 55.97 56.94 3iah s LYS 248 Cb -0.28 -3.93 0.02 0.00 -1.46 0.00 0.00 37.83 32.19 3iah s LYS 248 CO 0.30 -0.82 1.25 -2.14 0.16 0.00 0.00 175.35 174.11 3iah s PRO 249 N 3.85 2.22 0.03 4.03 0.02 -1.26 -4.80 135.00 139.10 3iah s PRO 249 Ca 0.71 1.91 0.00 0.00 0.02 0.00 0.00 61.00 63.65 3iah s PRO 249 Cb -0.32 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.37 3iah s PRO 249 CO 0.28 -1.81 0.00 0.41 -0.33 0.00 0.00 177.00 175.55 3iah n GLY 250 N 0.68 -1.72 3.77 0.52 0.00 -1.26 -4.99 105.19 102.19 3iah n GLY 250 Ca 0.15 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 3iah n GLY 250 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3iah s ILE 251 N 0.00 2.44 0.26 -0.61 2.07 -1.26 -4.95 121.20 119.15 3iah s ILE 251 Ca 0.00 0.44 -0.30 0.00 -1.41 0.00 0.00 60.65 59.38 3iah s ILE 251 Cb 0.00 -3.28 -0.10 0.00 0.13 0.00 0.00 42.46 39.21 3iah s ILE 251 CO 0.00 0.10 1.49 0.00 -1.91 0.00 0.00 174.94 174.62 3iah s ALA 252 N -1.09 3.66 -2.26 1.50 0.00 -1.26 -5.09 121.76 117.23 3iah s ALA 252 Ca 0.51 1.40 0.30 0.00 0.00 0.00 0.00 51.96 54.17 3iah s ALA 252 Cb -0.43 -3.58 1.46 0.00 0.00 0.00 0.00 23.12 20.57 3iah s ALA 252 CO 0.57 -0.81 1.97 1.04 0.00 0.00 0.00 175.76 178.53