#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ih9 s ARG 2 N 0.00 3.83 0.13 3.17 0.52 -1.26 -5.03 118.95 120.31 3ih9 s ARG 2 Ca 0.00 0.30 -0.31 0.00 -0.52 0.00 0.00 55.73 55.20 3ih9 s ARG 2 Cb 0.00 -3.15 -0.10 0.00 0.52 0.00 0.00 34.95 32.22 3ih9 s ARG 2 CO 0.00 0.66 1.77 -1.58 0.02 0.00 0.00 175.30 176.17 3ih9 s HIS 3 N -1.17 2.37 0.30 -0.53 2.46 -1.26 -4.92 115.29 112.55 3ih9 s HIS 3 Ca 0.26 0.14 0.26 0.00 0.47 0.00 0.00 55.06 56.18 3ih9 s HIS 3 Cb -0.15 -4.12 1.22 0.00 -0.13 0.00 0.00 32.58 29.40 3ih9 s HIS 3 CO 0.14 -4.51 1.97 -1.00 -2.47 0.00 0.00 174.74 168.86 3ih9 h PRO 4 N 8.15 0.00 0.24 2.88 0.13 -2.01 -3.32 132.00 138.08 3ih9 h PRO 4 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 3ih9 h PRO 4 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3ih9 h PRO 4 CO 0.94 0.17 -0.12 0.82 -0.23 0.00 0.00 178.00 179.59 3ih9 h ILE 5 N 0.00 0.77 -0.80 -3.56 1.08 -1.99 -1.48 117.51 111.52 3ih9 h ILE 5 Ca -0.00 -0.03 0.11 0.00 -0.39 0.00 0.00 64.86 64.55 3ih9 h ILE 5 Cb 0.51 0.79 -0.06 0.00 -3.07 0.00 0.00 36.82 34.99 3ih9 h ILE 5 CO 0.02 0.01 0.52 -0.65 -0.69 0.00 0.00 178.15 177.36 3ih9 h PRO 6 N -0.34 0.65 -0.34 2.37 0.11 -1.86 -0.20 132.00 132.39 3ih9 h PRO 6 Ca -0.03 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.96 3ih9 h PRO 6 Cb 0.26 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 3ih9 h PRO 6 CO 0.05 0.43 -0.08 -0.44 -0.21 0.00 0.00 178.00 177.76 3ih9 h ASP 7 N 0.67 0.65 -0.87 -2.05 3.45 -1.65 0.73 116.42 117.35 3ih9 h ASP 7 Ca 0.38 -0.36 0.05 0.00 0.43 0.00 0.00 57.03 57.53 3ih9 h ASP 7 Cb 0.55 -0.18 -0.06 0.00 -0.56 0.00 0.00 39.33 39.08 3ih9 h ASP 7 CO -0.15 0.86 0.55 0.22 -1.57 0.00 0.00 179.24 179.15 3ih9 h TYR 8 N 0.43 1.01 -0.56 4.55 3.20 -0.04 0.21 116.97 125.78 3ih9 h TYR 8 Ca 0.09 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 3ih9 h TYR 8 Cb 0.58 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3ih9 h TYR 8 CO 0.05 0.54 0.01 -0.07 -1.64 0.00 0.00 178.16 177.05 3ih9 h LEU 9 N 1.01 0.93 -0.49 2.82 3.38 -0.73 0.74 115.31 122.97 3ih9 h LEU 9 Ca 0.37 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3ih9 h LEU 9 Cb 0.13 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3ih9 h LEU 9 CO -0.16 0.98 0.17 0.00 0.09 0.00 0.00 178.44 179.52 3ih9 h ALA 10 N 1.12 0.64 -0.28 1.53 0.00 0.33 0.30 119.26 122.90 3ih9 h ALA 10 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ih9 h ALA 10 Cb 0.50 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3ih9 h ALA 10 CO 0.02 0.28 0.19 0.77 0.00 0.00 0.00 179.25 180.50 3ih9 h SER 11 N 0.65 0.32 -0.67 0.00 0.02 -0.25 -1.51 113.55 112.11 3ih9 h SER 11 Ca 0.16 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3ih9 h SER 11 Cb 0.25 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 3ih9 h SER 11 CO -0.01 0.23 0.44 0.25 -1.14 0.00 0.00 176.83 176.60 3ih9 h LEU 12 N 0.38 0.75 -1.14 5.07 5.85 -0.35 0.19 115.31 126.05 3ih9 h LEU 12 Ca 0.11 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3ih9 h LEU 12 Cb -0.04 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 3ih9 h LEU 12 CO -0.03 0.53 0.48 0.58 -0.34 0.00 0.00 178.44 179.66 3ih9 h VAL 13 N 0.88 1.22 -0.04 1.05 2.07 0.07 -1.67 116.25 119.83 3ih9 h VAL 13 Ca 0.25 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 3ih9 h VAL 13 Cb -0.07 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 3ih9 h VAL 13 CO -0.07 0.23 -0.16 0.74 0.02 0.00 0.00 177.57 178.33 3ih9 h THR 14 N 1.08 1.47 0.94 2.57 2.02 -0.76 -1.99 112.91 118.24 3ih9 h THR 14 Ca 0.28 -1.61 -0.05 0.00 0.77 0.00 0.00 66.41 65.81 3ih9 h THR 14 Cb -0.05 2.41 0.01 0.00 -1.74 0.00 0.00 68.15 68.78 3ih9 h THR 14 CO -0.05 0.44 -0.45 -0.08 0.37 0.00 0.00 175.52 175.75 3ih9 h GLU 15 N -0.38 -1.21 0.00 6.66 4.81 -0.83 -2.87 114.58 120.76 3ih9 h GLU 15 Ca -0.01 0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3ih9 h GLU 15 Cb 0.80 0.28 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 3ih9 h GLU 15 CO 0.03 -0.81 -0.02 -0.07 -0.73 0.00 0.00 179.01 177.41 3ih9 h LEU 16 N -1.28 0.00 0.00 1.64 3.38 -1.46 -1.96 115.31 115.63 3ih9 h LEU 16 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3ih9 h LEU 16 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3ih9 h LEU 16 CO 0.21 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.38 3ih9 n GLY 17 N -0.33 -0.96 0.29 0.83 0.00 -0.75 -3.45 105.19 100.82 3ih9 n GLY 17 Ca -0.01 -0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.00 3ih9 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ih9 h ALA 18 N 3.64 1.40 -2.47 4.61 0.00 -1.18 -3.43 119.26 121.83 3ih9 h ALA 18 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.57 3ih9 h ALA 18 Cb 0.06 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 17.70 3ih9 h ALA 18 CO 0.00 0.05 -0.61 0.14 0.00 0.00 0.00 179.25 178.83 3ih9 s VAL 19 N -4.44 0.26 -0.47 0.00 -7.23 -1.22 -5.12 120.40 102.18 3ih9 s VAL 19 Ca -0.04 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.19 3ih9 s VAL 19 Cb 0.14 -2.56 0.25 0.00 0.56 0.00 0.00 36.38 34.77 3ih9 s VAL 19 CO 0.55 0.00 0.84 -3.20 -0.31 0.00 0.00 175.10 172.98 3ih9 n ASN 20 N -0.42 -2.18 -4.25 4.85 5.15 -1.26 -5.00 115.26 112.15 3ih9 n ASN 20 Ca 0.01 -3.22 -0.29 0.00 -0.60 0.00 0.00 54.58 50.48 3ih9 n ASN 20 Cb 0.66 1.32 0.21 0.00 -0.53 0.00 0.00 39.78 41.44 3ih9 n ASN 20 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3ih9 s PRO 21 N 0.22 -0.47 3.10 1.20 0.04 -1.26 -4.88 135.00 132.95 3ih9 s PRO 21 Ca 0.32 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.57 3ih9 s PRO 21 Cb 0.23 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 33.11 3ih9 s PRO 21 CO -0.20 -3.27 0.00 0.41 0.04 0.00 0.00 177.00 173.98 3ih9 n GLY 22 N -0.98 -0.30 3.60 0.56 0.00 -1.26 -4.61 105.19 102.21 3ih9 n GLY 22 Ca 0.09 -1.08 -0.06 0.00 0.00 0.00 0.00 46.02 44.97 3ih9 n GLY 22 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ih9 s GLU 23 N 0.00 0.91 0.69 1.61 -1.05 -0.73 -4.85 118.70 115.29 3ih9 s GLU 23 Ca 0.00 -0.42 -0.13 0.00 -0.15 0.00 0.00 54.97 54.27 3ih9 s GLU 23 Cb 0.00 0.37 0.01 0.00 -0.44 0.00 0.00 34.13 34.07 3ih9 s GLU 23 CO 0.00 -0.41 1.08 0.95 0.95 0.00 0.00 175.26 177.83 3ih9 s THR 24 N -3.11 3.59 -0.02 1.83 -4.23 -1.26 0.48 115.64 112.92 3ih9 s THR 24 Ca 0.08 0.61 -0.33 0.00 -1.18 0.00 0.00 61.69 60.87 3ih9 s THR 24 Cb -0.01 -3.18 -0.11 0.00 1.34 0.00 0.00 72.50 70.55 3ih9 s THR 24 CO -0.04 -0.59 1.89 0.00 -0.54 0.00 0.00 174.62 175.33 3ih9 n ALA 25 N -2.89 1.22 0.10 3.99 0.00 -1.26 -4.82 120.51 116.85 3ih9 n ALA 25 Ca 0.09 0.28 0.05 0.00 0.00 0.00 0.00 53.44 53.85 3ih9 n ALA 25 Cb 0.53 -2.55 -0.01 0.00 0.00 0.00 0.00 19.45 17.42 3ih9 n ALA 25 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3ih9 h GLN 26 N 9.34 0.00 -0.98 0.00 1.08 -1.91 -1.76 115.11 120.88 3ih9 h GLN 26 Ca -0.48 0.00 0.19 0.00 -1.45 0.00 0.00 58.65 56.91 3ih9 h GLN 26 Cb 1.26 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.59 3ih9 h GLN 26 CO 0.94 0.25 0.61 0.10 -0.95 0.00 0.00 178.83 179.79 3ih9 h TYR 27 N 0.00 0.91 -3.37 2.96 -0.00 -1.98 -3.39 116.97 112.10 3ih9 h TYR 27 Ca -0.06 0.03 -0.64 0.00 0.00 0.00 0.00 58.73 58.05 3ih9 h TYR 27 Cb 1.34 -0.27 -0.33 0.00 0.00 0.00 0.00 36.73 37.46 3ih9 h TYR 27 CO 0.00 0.22 -0.87 0.96 -0.00 0.00 0.00 178.16 178.48 3ih9 s ILE 28 N -5.72 1.85 0.51 -0.90 -4.36 -1.26 -5.01 121.20 106.31 3ih9 s ILE 28 Ca -0.10 -0.90 0.28 0.00 -0.26 0.00 0.00 60.65 59.66 3ih9 s ILE 28 Cb 0.24 -1.61 0.45 0.00 1.25 0.00 0.00 42.46 42.78 3ih9 s ILE 28 CO 0.80 0.51 1.91 1.55 0.24 0.00 0.00 174.94 179.95 3ih9 h PRO 29 N 6.76 0.07 -0.28 0.37 0.13 -1.90 0.20 132.00 137.36 3ih9 h PRO 29 Ca -0.22 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 3ih9 h PRO 29 Cb 1.23 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3ih9 h PRO 29 CO 0.47 0.05 0.08 -0.24 -0.23 0.00 0.00 178.00 178.13 3ih9 h VAL 30 N 0.08 1.13 0.01 1.56 3.04 -1.95 0.19 116.25 120.31 3ih9 h VAL 30 Ca 0.40 -0.44 -0.33 0.00 -1.01 0.00 0.00 66.70 65.31 3ih9 h VAL 30 Cb 1.46 0.84 -0.05 0.00 -2.01 0.00 0.00 31.29 31.52 3ih9 h VAL 30 CO -0.04 0.16 -2.02 0.18 -1.01 0.00 0.00 177.57 174.84 3ih9 n LEU 31 N -4.39 0.94 0.21 3.16 4.77 0.43 -3.47 117.00 118.65 3ih9 n LEU 31 Ca 0.01 0.22 0.08 0.00 -0.03 0.00 0.00 56.01 56.29 3ih9 n LEU 31 Cb 0.15 0.06 0.44 0.00 -2.33 0.00 0.00 43.42 41.74 3ih9 n LEU 31 CO 0.37 0.52 0.77 0.00 -1.33 0.00 0.00 177.39 177.71 3ih9 h ALA 32 N 0.82 1.06 -0.00 -1.18 0.00 0.17 -3.06 119.26 117.07 3ih9 h ALA 32 Ca -0.41 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3ih9 h ALA 32 Cb 2.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.83 3ih9 h ALA 32 CO 0.05 0.34 -0.80 0.39 0.00 0.00 0.00 179.25 179.24 3ih9 n GLU 33 N -3.50 0.06 -1.77 0.00 -0.58 0.63 -4.88 120.64 110.60 3ih9 n GLU 33 Ca -0.00 -0.05 -0.41 0.00 -0.42 0.00 0.00 57.16 56.28 3ih9 n GLU 33 Cb 0.44 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 3ih9 n GLU 33 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ih9 n ALA 34 N -1.43 2.23 -1.68 0.62 0.00 -1.15 -4.87 120.51 114.22 3ih9 n ALA 34 Ca 0.05 0.32 -0.49 0.00 0.00 0.00 0.00 53.44 53.33 3ih9 n ALA 34 Cb 0.34 -2.40 -0.05 0.00 0.00 0.00 0.00 19.45 17.34 3ih9 n ALA 34 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3ih9 n ASP 35 N 0.35 3.25 0.02 0.00 2.03 -1.26 -4.86 116.55 116.09 3ih9 n ASP 35 Ca 0.02 1.01 0.12 0.00 0.52 0.00 0.00 54.79 56.46 3ih9 n ASP 35 Cb 0.39 -1.36 0.31 0.00 -0.72 0.00 0.00 41.12 39.74 3ih9 n ASP 35 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3ih9 n PRO 36 N 5.72 0.10 -2.11 -0.67 -0.04 -1.26 -4.46 135.00 132.28 3ih9 n PRO 36 Ca 0.22 0.04 -0.41 0.00 -0.04 0.00 0.00 63.50 63.30 3ih9 n PRO 36 Cb 0.28 -1.57 -0.00 0.00 -0.04 0.00 0.00 33.50 32.17 3ih9 n PRO 36 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3ih9 n ASP 37 N -1.71 6.92 -3.82 3.54 4.64 -1.26 -4.65 116.55 120.20 3ih9 n ASP 37 Ca 0.05 -3.11 -0.12 0.00 -1.38 0.00 0.00 54.79 50.22 3ih9 n ASP 37 Cb 0.37 -1.41 -0.13 0.00 -1.04 0.00 0.00 41.12 38.91 3ih9 n ASP 37 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3ih9 s ARG 38 N -0.47 0.16 -0.28 -0.67 0.52 -1.26 -5.13 118.95 111.83 3ih9 s ARG 38 Ca 0.49 0.21 -0.04 0.00 -0.52 0.00 0.00 55.73 55.86 3ih9 s ARG 38 Cb 0.15 0.07 0.15 0.00 0.52 0.00 0.00 34.95 35.84 3ih9 s ARG 38 CO -0.05 -0.03 0.55 0.12 0.02 0.00 0.00 175.30 175.91 3ih9 s PHE 39 N 0.13 -1.31 0.09 -0.53 5.36 -1.26 -4.28 117.98 116.19 3ih9 s PHE 39 Ca -0.00 1.68 0.02 0.00 -0.96 0.00 0.00 56.93 57.67 3ih9 s PHE 39 Cb -0.01 0.50 -0.04 0.00 -0.34 0.00 0.00 43.02 43.12 3ih9 s PHE 39 CO -0.00 -0.75 -0.07 0.20 -1.46 0.00 0.00 175.22 173.14 3ih9 s GLY 40 N 2.78 0.75 -0.15 13.12 0.00 -0.44 -1.79 107.32 121.59 3ih9 s GLY 40 Ca 0.10 -1.26 -0.18 0.00 0.00 0.00 0.00 44.72 43.38 3ih9 s GLY 40 CO -0.19 -1.35 0.48 -1.50 0.00 0.00 0.00 173.10 170.54 3ih9 s ILE 41 N -3.20 0.01 0.00 0.90 2.07 -0.42 -0.77 121.20 119.79 3ih9 s ILE 41 Ca 0.08 -0.07 -0.01 0.00 -1.41 0.00 0.00 60.65 59.24 3ih9 s ILE 41 Cb 0.02 -0.71 -0.01 0.00 0.13 0.00 0.00 42.46 41.90 3ih9 s ILE 41 CO -0.03 -0.04 0.02 0.00 -1.91 0.00 0.00 174.94 172.98 3ih9 s ALA 42 N -0.10 -0.02 -0.12 1.50 0.00 0.43 -1.39 121.76 122.05 3ih9 s ALA 42 Ca -0.03 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 51.75 3ih9 s ALA 42 Cb -0.03 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.14 3ih9 s ALA 42 CO 0.02 -0.09 -0.18 -0.51 0.00 0.00 0.00 175.76 175.00 3ih9 s LEU 43 N -0.70 1.90 -0.18 0.00 1.43 0.46 -1.26 118.68 120.34 3ih9 s LEU 43 Ca -0.08 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 3ih9 s LEU 43 Cb -0.05 -1.24 -0.01 0.00 0.03 0.00 0.00 46.19 44.92 3ih9 s LEU 43 CO -0.00 0.05 -0.10 0.00 0.23 0.00 0.00 176.35 176.53 3ih9 s ALA 44 N 0.86 2.69 0.58 4.21 0.00 -0.30 -1.11 121.76 128.70 3ih9 s ALA 44 Ca -0.08 -1.06 -0.06 0.00 0.00 0.00 0.00 51.96 50.76 3ih9 s ALA 44 Cb -0.15 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.52 3ih9 s ALA 44 CO -0.01 -0.15 0.90 0.95 0.00 0.00 0.00 175.76 177.45 3ih9 s THR 45 N 1.00 3.76 0.32 0.00 -4.23 0.22 -0.80 115.64 115.91 3ih9 s THR 45 Ca -0.01 0.03 0.01 0.00 -1.18 0.00 0.00 61.69 60.55 3ih9 s THR 45 Cb -0.15 -3.49 0.19 0.00 1.34 0.00 0.00 72.50 70.39 3ih9 s THR 45 CO -0.01 -0.50 1.90 -0.65 -0.54 0.00 0.00 174.62 174.81 3ih9 h PRO 46 N -0.15 0.74 -0.00 3.99 0.11 -1.90 -2.90 132.00 131.89 3ih9 h PRO 46 Ca -0.45 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.54 3ih9 h PRO 46 Cb 1.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3ih9 h PRO 46 CO 0.61 0.63 -0.07 0.25 -0.21 0.00 0.00 178.00 179.21 3ih9 n THR 47 N -4.33 0.00 0.00 -1.15 -2.24 -1.26 -4.53 114.28 100.77 3ih9 n THR 47 Ca 0.04 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3ih9 n THR 47 Cb 0.18 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 3ih9 n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ih9 n GLY 48 N 1.32 1.63 3.89 3.38 0.00 -1.09 -4.85 105.19 109.48 3ih9 n GLY 48 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 3ih9 n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ih9 s ARG 49 N -0.02 3.24 -0.22 1.61 1.81 -1.26 -4.86 118.95 119.26 3ih9 s ARG 49 Ca 0.00 -0.72 -0.04 0.00 -1.72 0.00 0.00 55.73 53.24 3ih9 s ARG 49 Cb 0.00 -2.84 0.08 0.00 -0.45 0.00 0.00 34.95 31.74 3ih9 s ARG 49 CO 0.00 0.49 0.12 -1.17 -0.68 0.00 0.00 175.30 174.06 3ih9 s LEU 50 N -3.30 0.35 -0.20 2.53 2.96 -1.26 -0.61 118.68 119.14 3ih9 s LEU 50 Ca 0.33 -0.80 -0.08 0.00 -0.22 0.00 0.00 54.13 53.36 3ih9 s LEU 50 Cb -0.10 -0.20 -0.04 0.00 0.50 0.00 0.00 46.19 46.35 3ih9 s LEU 50 CO 0.27 -0.38 0.07 -1.00 -1.32 0.00 0.00 176.35 173.99 3ih9 s HIS 51 N 2.15 3.21 0.29 5.38 3.76 -0.26 -4.96 115.29 124.85 3ih9 s HIS 51 Ca 0.05 -0.02 0.04 0.00 -0.15 0.00 0.00 55.06 54.98 3ih9 s HIS 51 Cb -0.16 -2.14 -0.03 0.00 1.11 0.00 0.00 32.58 31.36 3ih9 s HIS 51 CO -0.19 0.02 0.23 0.00 -0.85 0.00 0.00 174.74 173.95 3ih9 s ALA 53 N -3.69 -1.82 0.00 0.00 0.00 -0.49 -4.78 121.76 110.98 3ih9 s ALA 53 Ca 0.40 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.57 3ih9 s ALA 53 Cb 0.04 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.18 3ih9 s ALA 53 CO 0.22 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.88 3ih9 n GLY 54 N 0.28 0.24 3.34 0.00 0.00 -1.26 -1.31 105.19 106.48 3ih9 n GLY 54 Ca -0.12 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 3ih9 n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ih9 n ASP 55 N -2.45 1.96 -0.87 1.61 8.00 -0.74 -4.53 116.55 119.53 3ih9 n ASP 55 Ca 0.00 -2.60 0.12 0.00 0.71 0.00 0.00 54.79 53.02 3ih9 n ASP 55 Cb 0.00 -1.03 0.21 0.00 -0.02 0.00 0.00 41.12 40.28 3ih9 n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ih9 n ALA 56 N 9.93 2.48 -0.02 2.24 0.00 -1.26 -3.73 120.51 130.15 3ih9 n ALA 56 Ca 0.47 -0.67 0.02 0.00 0.00 0.00 0.00 53.44 53.26 3ih9 n ALA 56 Cb 0.42 -0.90 0.04 0.00 0.00 0.00 0.00 19.45 19.01 3ih9 n ALA 56 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ih9 n ASP 57 N 1.08 2.13 -4.70 0.00 8.00 -1.26 -2.92 116.55 118.88 3ih9 n ASP 57 Ca 0.16 -1.85 -0.39 0.00 0.71 0.00 0.00 54.79 53.41 3ih9 n ASP 57 Cb 0.54 -0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.52 3ih9 n ASP 57 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ih9 s VAL 58 N -0.88 5.11 0.37 2.53 1.01 -1.26 -4.95 120.40 122.34 3ih9 s VAL 58 Ca 0.07 1.11 -0.24 0.00 0.00 0.00 0.00 61.98 62.91 3ih9 s VAL 58 Cb 0.04 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.42 3ih9 s VAL 58 CO 0.05 0.25 0.96 -1.61 0.00 0.00 0.00 175.10 174.75 3ih9 s GLU 59 N 1.04 4.40 0.11 2.72 2.02 -1.26 -4.37 118.70 123.36 3ih9 s GLU 59 Ca 0.29 1.29 -0.18 0.00 0.02 0.00 0.00 54.97 56.39 3ih9 s GLU 59 Cb -0.16 -2.56 0.04 0.00 0.10 0.00 0.00 34.13 31.55 3ih9 s GLU 59 CO 0.12 0.11 0.43 -0.59 0.02 0.00 0.00 175.26 175.35 3ih9 s PHE 60 N -1.81 -0.27 0.17 1.61 -0.12 -0.57 -4.94 117.98 112.05 3ih9 s PHE 60 Ca 0.55 0.03 -0.30 0.00 -0.05 0.00 0.00 56.93 57.16 3ih9 s PHE 60 Cb -0.16 0.29 -0.08 0.00 -0.63 0.00 0.00 43.02 42.44 3ih9 s PHE 60 CO 0.21 -0.69 1.19 0.95 -0.05 0.00 0.00 175.22 176.82 3ih9 s THR 61 N -3.49 3.67 0.20 -4.49 -4.23 -1.26 -1.41 115.64 104.64 3ih9 s THR 61 Ca 0.01 1.37 0.25 0.00 -1.18 0.00 0.00 61.69 62.14 3ih9 s THR 61 Cb 0.01 -3.88 0.25 0.00 1.34 0.00 0.00 72.50 70.22 3ih9 s THR 61 CO -0.10 0.20 1.89 -0.29 -0.54 0.00 0.00 174.62 175.79 3ih9 h ILE 62 N 3.86 0.54 0.00 2.99 2.10 -0.92 -3.41 117.51 122.66 3ih9 h ILE 62 Ca -0.44 -0.96 0.00 0.00 1.08 0.00 0.00 64.86 64.54 3ih9 h ILE 62 Cb 1.21 1.66 0.00 0.00 -1.09 0.00 0.00 36.82 38.60 3ih9 h ILE 62 CO 0.75 0.19 0.00 0.00 -1.08 0.00 0.00 178.15 178.01 3ih9 n GLN 63 N -3.43 0.00 0.22 2.19 1.13 0.86 -1.71 117.38 116.64 3ih9 n GLN 63 Ca -0.00 0.00 0.18 0.00 -1.94 0.00 0.00 57.00 55.23 3ih9 n GLN 63 Cb 0.38 0.00 0.80 0.00 0.11 0.00 0.00 30.24 31.53 3ih9 n GLN 63 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 3ih9 h SER 64 N 1.13 0.00 0.01 1.08 0.02 -1.88 -0.45 113.55 113.47 3ih9 h SER 64 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ih9 h SER 64 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3ih9 h SER 64 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 3ih9 n ALA 65 N -2.13 2.00 0.07 3.77 0.00 -0.69 -1.68 120.51 121.85 3ih9 n ALA 65 Ca 0.02 -0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.40 3ih9 n ALA 65 Cb 0.47 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.66 3ih9 n ALA 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ih9 h SER 66 N 0.00 0.00 -0.94 0.00 4.64 -1.22 -3.39 113.55 112.64 3ih9 h SER 66 Ca 0.00 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.55 3ih9 h SER 66 Cb 0.01 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.97 3ih9 h SER 66 CO 0.00 0.47 0.47 0.11 -0.87 0.00 0.00 176.83 177.01 3ih9 h LYS 67 N 0.00 0.45 0.00 4.77 1.57 -1.52 -1.40 116.57 120.43 3ih9 h LYS 67 Ca -0.10 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 3ih9 h LYS 67 Cb 1.44 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.65 3ih9 h LYS 67 CO 0.04 0.29 -0.15 -1.00 -0.57 0.00 0.00 179.45 178.07 3ih9 h PRO 68 N 0.46 0.00 0.18 3.15 0.13 -1.80 -2.23 132.00 131.89 3ih9 h PRO 68 Ca 0.60 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 65.42 3ih9 h PRO 68 Cb 1.14 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.29 3ih9 h PRO 68 CO -0.51 0.15 -1.38 0.74 -0.23 0.00 0.00 178.00 176.77 3ih9 h PHE 69 N 0.00 0.69 -0.16 1.56 -1.00 -1.54 -1.54 116.94 114.94 3ih9 h PHE 69 Ca -0.00 -0.50 -0.18 0.00 2.81 0.00 0.00 57.97 60.10 3ih9 h PHE 69 Cb 0.82 -0.03 -0.00 0.00 3.61 0.00 0.00 35.95 40.35 3ih9 h PHE 69 CO 0.00 1.41 -0.64 1.79 -1.61 0.00 0.00 178.31 179.27 3ih9 h THR 70 N 0.10 1.32 -0.57 -1.55 1.35 -1.50 -0.47 112.91 111.59 3ih9 h THR 70 Ca -0.20 -1.91 0.02 0.00 -0.55 0.00 0.00 66.41 63.77 3ih9 h THR 70 Cb 2.06 1.88 -0.03 0.00 -1.73 0.00 0.00 68.15 70.32 3ih9 h THR 70 CO 0.23 0.59 0.36 0.22 -0.25 0.00 0.00 175.52 176.67 3ih9 h TYR 71 N 0.44 0.68 0.26 4.73 3.20 -1.44 0.15 116.97 124.99 3ih9 h TYR 71 Ca -0.01 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 3ih9 h TYR 71 Cb 1.21 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 3ih9 h TYR 71 CO 0.06 0.40 -0.21 0.00 -1.64 0.00 0.00 178.16 176.76 3ih9 h ALA 72 N 1.24 -0.47 -0.76 1.82 0.00 -0.95 -1.44 119.26 118.71 3ih9 h ALA 72 Ca 0.22 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3ih9 h ALA 72 Cb -0.02 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3ih9 h ALA 72 CO -0.08 -0.78 0.47 0.00 0.00 0.00 0.00 179.25 178.85 3ih9 h ALA 73 N 0.20 1.01 -0.83 0.00 0.00 -0.57 -1.97 119.26 117.10 3ih9 h ALA 73 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3ih9 h ALA 73 Cb 0.43 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3ih9 h ALA 73 CO -0.02 0.23 0.47 0.00 0.00 0.00 0.00 179.25 179.93 3ih9 h ALA 74 N 1.34 1.07 -0.27 0.00 0.00 -0.51 -0.22 119.26 120.67 3ih9 h ALA 74 Ca 0.32 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3ih9 h ALA 74 Cb 0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3ih9 h ALA 74 CO -0.14 0.56 -0.15 -0.07 0.00 0.00 0.00 179.25 179.46 3ih9 h LEU 75 N 1.16 0.45 -0.27 0.00 3.38 -0.57 0.05 115.31 119.51 3ih9 h LEU 75 Ca 0.30 -0.12 -0.21 0.00 0.09 0.00 0.00 57.88 57.94 3ih9 h LEU 75 Cb 0.01 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3ih9 h LEU 75 CO -0.05 0.63 -0.85 0.58 0.09 0.00 0.00 178.44 178.84 3ih9 h VAL 76 N 0.43 1.40 0.12 1.22 2.07 -0.87 -0.95 116.25 119.66 3ih9 h VAL 76 Ca 0.08 -2.34 -0.21 0.00 0.82 0.00 0.00 66.70 65.05 3ih9 h VAL 76 Cb 0.51 2.30 0.02 0.00 -1.52 0.00 0.00 31.29 32.60 3ih9 h VAL 76 CO 0.03 0.70 -0.90 0.44 0.02 0.00 0.00 177.57 177.86 3ih9 h ASP 77 N 0.24 0.58 0.00 0.57 3.32 -0.79 -3.39 116.42 116.96 3ih9 h ASP 77 Ca -0.06 -0.89 0.00 0.00 0.02 0.00 0.00 57.03 56.11 3ih9 h ASP 77 Cb 1.46 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3ih9 h ASP 77 CO 0.15 1.42 -1.56 0.54 -1.72 0.00 0.00 179.24 178.07 3ih9 n ARG 78 N -4.06 0.74 0.00 3.56 5.12 -0.02 -4.97 116.66 117.03 3ih9 n ARG 78 Ca -0.13 -0.12 0.00 0.00 -1.93 0.00 0.00 57.85 55.67 3ih9 n ARG 78 Cb 0.84 -1.39 0.00 0.00 -1.16 0.00 0.00 32.46 30.76 3ih9 n ARG 78 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ih9 n GLY 79 N 1.49 -0.09 0.18 -0.13 0.00 -0.36 -4.36 105.19 101.91 3ih9 n GLY 79 Ca -0.02 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 3ih9 n GLY 79 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3ih9 h PHE 80 N 0.00 0.56 -0.33 1.61 -1.00 -1.92 -3.06 116.94 112.81 3ih9 h PHE 80 Ca 0.00 -0.04 0.06 0.00 2.81 0.00 0.00 57.97 60.80 3ih9 h PHE 80 Cb 0.00 -0.17 -0.05 0.00 3.61 0.00 0.00 35.95 39.34 3ih9 h PHE 80 CO 0.00 0.50 0.01 0.00 -1.61 0.00 0.00 178.31 177.21 3ih9 h ALA 81 N 1.00 0.30 -0.48 2.45 0.00 -1.96 0.16 119.26 120.72 3ih9 h ALA 81 Ca 0.13 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3ih9 h ALA 81 Cb 0.17 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3ih9 h ALA 81 CO -0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 179.25 178.79 3ih9 h ALA 82 N 1.28 1.00 -0.09 0.00 0.00 -1.76 -2.52 119.26 117.17 3ih9 h ALA 82 Ca 0.16 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 54.56 3ih9 h ALA 82 Cb 0.21 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3ih9 h ALA 82 CO -0.26 0.61 -0.76 0.28 0.00 0.00 0.00 179.25 179.12 3ih9 h VAL 83 N 0.77 1.31 0.00 0.00 2.07 -1.37 -3.25 116.25 115.78 3ih9 h VAL 83 Ca 0.14 -2.01 -0.04 0.00 0.82 0.00 0.00 66.70 65.61 3ih9 h VAL 83 Cb 0.54 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 3ih9 h VAL 83 CO 0.03 0.62 -0.17 0.44 0.02 0.00 0.00 177.57 178.51 3ih9 h ASP 84 N 0.34 0.00 0.04 0.57 3.32 -0.62 0.28 116.42 120.35 3ih9 h ASP 84 Ca -0.07 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 3ih9 h ASP 84 Cb 1.40 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.94 3ih9 h ASP 84 CO 0.15 0.17 -0.12 0.03 -1.72 0.00 0.00 179.24 177.75 3ih9 h ARG 85 N 0.00 0.17 0.00 3.56 3.08 -1.49 -3.22 114.38 116.49 3ih9 h ARG 85 Ca -0.00 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 59.78 3ih9 h ARG 85 Cb 0.30 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 3ih9 h ARG 85 CO 0.02 0.30 -2.11 1.04 -1.07 0.00 0.00 179.97 178.15 3ih9 n GLN 86 N -4.31 0.67 -4.64 0.04 1.13 -0.52 -4.74 117.38 105.01 3ih9 n GLN 86 Ca -0.01 -0.02 -0.27 0.00 -1.94 0.00 0.00 57.00 54.76 3ih9 n GLN 86 Cb 0.24 -1.57 -0.17 0.00 0.11 0.00 0.00 30.24 28.85 3ih9 n GLN 86 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3ih9 s VAL 87 N -2.85 1.40 0.16 5.09 1.01 0.86 -3.73 120.40 122.34 3ih9 s VAL 87 Ca -0.08 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 3ih9 s VAL 87 Cb 0.09 -1.26 0.04 0.00 0.00 0.00 0.00 36.38 35.24 3ih9 s VAL 87 CO 0.85 0.42 0.22 0.61 0.00 0.00 0.00 175.10 177.20 3ih9 n GLY 88 N 3.90 -0.55 0.30 4.51 0.00 0.04 -4.34 105.19 109.05 3ih9 n GLY 88 Ca -0.21 -1.77 0.05 0.00 0.00 0.00 0.00 46.02 44.09 3ih9 n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ih9 n LEU 89 N 0.00 1.31 -4.70 0.99 4.77 -0.48 -3.97 117.00 114.92 3ih9 n LEU 89 Ca 0.03 -2.18 -0.37 0.00 -0.03 0.00 0.00 56.01 53.46 3ih9 n LEU 89 Cb 0.10 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 40.89 3ih9 n LEU 89 CO 0.07 0.52 0.05 0.20 -1.33 0.00 0.00 177.39 176.90 3ih9 s ASN 90 N -2.05 6.46 0.45 -1.43 0.01 0.12 -4.96 114.94 113.54 3ih9 s ASN 90 Ca 0.18 0.54 -0.24 0.00 -0.71 0.00 0.00 52.86 52.63 3ih9 s ASN 90 Cb 0.16 -2.21 -0.07 0.00 0.41 0.00 0.00 41.25 39.54 3ih9 s ASN 90 CO 0.01 0.02 1.25 -2.16 -1.51 0.00 0.00 177.10 174.71 3ih9 s PRO 91 N 0.82 3.73 0.16 -0.60 0.04 -1.26 -3.91 135.00 133.97 3ih9 s PRO 91 Ca 0.18 2.00 -0.24 0.00 0.04 0.00 0.00 61.00 62.98 3ih9 s PRO 91 Cb -0.14 -2.52 0.06 0.00 0.04 0.00 0.00 34.50 31.94 3ih9 s PRO 91 CO 0.06 -0.64 0.85 -1.54 0.04 0.00 0.00 177.00 175.77 3ih9 s SER 92 N -1.05 -0.28 0.56 6.66 1.04 -1.26 -5.01 113.70 114.36 3ih9 s SER 92 Ca 0.62 -0.33 -0.07 0.00 0.48 0.00 0.00 55.95 56.65 3ih9 s SER 92 Cb -0.34 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.30 3ih9 s SER 92 CO 0.42 -0.97 0.90 -0.83 0.98 0.00 0.00 173.24 173.74 3ih9 s GLY 93 N -2.83 1.57 0.58 7.32 0.00 -1.26 -4.10 107.32 108.60 3ih9 s GLY 93 Ca 0.09 -0.45 0.35 0.00 0.00 0.00 0.00 44.72 44.71 3ih9 s GLY 93 CO -0.00 -0.21 2.15 -2.09 0.00 0.00 0.00 173.10 172.94 3ih9 h GLU 94 N -0.07 0.00 -6.56 2.90 4.57 -1.99 -3.42 114.58 110.00 3ih9 h GLU 94 Ca -0.46 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.17 3ih9 h GLU 94 Cb 1.22 0.00 0.05 0.00 -0.16 0.00 0.00 28.75 29.86 3ih9 h GLU 94 CO 0.62 0.05 0.95 0.00 -1.18 0.00 0.00 179.01 179.44 3ih9 n ALA 95 N -2.17 2.10 -2.72 2.92 0.00 -1.26 -4.92 120.51 114.47 3ih9 n ALA 95 Ca -0.02 0.40 -0.39 0.00 0.00 0.00 0.00 53.44 53.44 3ih9 n ALA 95 Cb 0.20 -2.47 -0.06 0.00 0.00 0.00 0.00 19.45 17.13 3ih9 n ALA 95 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3ih9 s PHE 96 N 1.44 3.53 -0.18 0.00 5.36 -1.26 -5.06 117.98 121.81 3ih9 s PHE 96 Ca 0.78 1.01 0.01 0.00 -0.96 0.00 0.00 56.93 57.77 3ih9 s PHE 96 Cb -0.58 -2.65 0.03 0.00 -0.34 0.00 0.00 43.02 39.48 3ih9 s PHE 96 CO 0.36 0.12 -0.16 1.21 -1.46 0.00 0.00 175.22 175.29 3ih9 s ASN 97 N 0.72 3.11 0.44 6.13 3.84 -1.26 -5.02 114.94 122.90 3ih9 s ASN 97 Ca 0.30 -0.68 0.18 0.00 0.21 0.00 0.00 52.86 52.86 3ih9 s ASN 97 Cb -0.16 -1.35 1.11 0.00 -0.55 0.00 0.00 41.25 40.30 3ih9 s ASN 97 CO 0.13 -0.05 1.91 -0.08 -2.79 0.00 0.00 177.10 176.22 3ih9 h GLU 98 N 7.97 0.34 -0.74 0.43 4.81 -2.03 -0.77 114.58 124.58 3ih9 h GLU 98 Ca -0.39 -0.02 0.22 0.00 -0.13 0.00 0.00 59.36 59.04 3ih9 h GLU 98 Cb 1.13 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 3ih9 h GLU 98 CO 0.57 0.23 0.61 -0.07 -0.73 0.00 0.00 179.01 179.61 3ih9 h LEU 99 N 0.35 0.00 -2.57 1.64 3.38 -1.99 0.16 115.31 116.29 3ih9 h LEU 99 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3ih9 h LEU 99 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3ih9 h LEU 99 CO -0.11 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.19 3ih9 h SER 100 N 0.00 0.00 0.00 -0.43 4.64 -1.50 -2.72 113.55 113.54 3ih9 h SER 100 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3ih9 h SER 100 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 3ih9 h SER 100 CO -0.00 0.00 -1.51 0.18 -0.87 0.00 0.00 176.83 174.63 3ih9 n LEU 101 N -3.06 0.21 0.13 5.97 4.77 0.55 -4.15 117.00 121.42 3ih9 n LEU 101 Ca -0.02 -0.14 0.13 0.00 -0.03 0.00 0.00 56.01 55.95 3ih9 n LEU 101 Cb 0.13 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.67 3ih9 n LEU 101 CO 0.22 0.05 0.88 -0.33 -1.33 0.00 0.00 177.39 176.87 3ih9 h GLU 102 N 0.00 0.00 -7.21 3.23 5.08 -1.35 -3.26 114.58 111.07 3ih9 h GLU 102 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3ih9 h GLU 102 Cb 0.67 0.00 0.16 0.00 0.50 0.00 0.00 28.75 30.08 3ih9 h GLU 102 CO 0.00 0.00 0.35 0.00 -1.00 0.00 0.00 179.01 178.36 3ih9 s ALA 103 N -3.23 2.00 -1.27 3.43 0.00 -1.17 -4.82 121.76 116.71 3ih9 s ALA 103 Ca 0.07 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.77 3ih9 s ALA 103 Cb 0.11 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3ih9 s ALA 103 CO 0.50 -2.04 0.79 0.39 0.00 0.00 0.00 175.76 175.41 3ih9 n GLU 104 N -3.12 0.00 -0.04 0.00 4.71 -1.26 -0.71 120.64 120.22 3ih9 n GLU 104 Ca 0.13 0.30 -0.16 0.00 -0.01 0.00 0.00 57.16 57.42 3ih9 n GLU 104 Cb 0.51 -1.52 -0.13 0.00 -1.01 0.00 0.00 31.44 29.29 3ih9 n GLU 104 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 3ih9 h SER 105 N 0.00 0.14 -4.62 1.62 0.02 -1.87 -3.48 113.55 105.36 3ih9 h SER 105 Ca 0.00 -0.95 -0.19 0.00 -0.84 0.00 0.00 61.79 59.80 3ih9 h SER 105 Cb 0.04 -0.04 0.13 0.00 0.14 0.00 0.00 62.40 62.67 3ih9 h SER 105 CO 0.00 1.08 -0.57 1.41 -1.14 0.00 0.00 176.83 177.61 3ih9 n HIS 106 N -4.49 -1.62 -3.54 3.45 8.25 0.11 -4.97 115.22 112.41 3ih9 n HIS 106 Ca -0.11 0.61 -0.18 0.00 -0.26 0.00 0.00 57.72 57.79 3ih9 n HIS 106 Cb 0.56 -3.83 -0.06 0.00 1.12 0.00 0.00 29.99 27.78 3ih9 n HIS 106 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3ih9 s ARG 107 N -4.35 1.03 0.60 -0.41 1.70 -1.26 -4.83 118.95 111.43 3ih9 s ARG 107 Ca 0.19 0.21 -0.19 0.00 -0.47 0.00 0.00 55.73 55.47 3ih9 s ARG 107 Cb -0.02 0.49 -0.03 0.00 -0.57 0.00 0.00 34.95 34.81 3ih9 s ARG 107 CO 0.51 -0.32 1.28 -1.25 -1.08 0.00 0.00 175.30 174.43 3ih9 s PRO 108 N -1.25 2.84 0.25 3.89 0.04 -1.24 -4.48 135.00 135.04 3ih9 s PRO 108 Ca -0.11 2.01 -0.03 0.00 0.04 0.00 0.00 61.00 62.91 3ih9 s PRO 108 Cb -0.00 -1.97 0.50 0.00 0.04 0.00 0.00 34.50 33.07 3ih9 s PRO 108 CO 0.09 -1.36 1.71 -0.44 0.04 0.00 0.00 177.00 177.04 3ih9 h ASP 109 N 0.88 0.18 -5.36 6.66 3.32 -1.86 0.15 116.42 120.39 3ih9 h ASP 109 Ca -0.51 0.13 0.18 0.00 0.02 0.00 0.00 57.03 56.85 3ih9 h ASP 109 Cb 1.32 0.14 -0.07 0.00 0.22 0.00 0.00 39.33 40.93 3ih9 h ASP 109 CO 0.55 0.03 0.52 0.54 -1.72 0.00 0.00 179.24 179.16 3ih9 s ASN 110 N -5.28 -0.13 0.00 6.45 4.22 -1.25 0.14 114.94 119.09 3ih9 s ASN 110 Ca -0.12 -0.46 0.24 0.00 -2.14 0.00 0.00 52.86 50.37 3ih9 s ASN 110 Cb 0.22 0.48 1.20 0.00 1.28 0.00 0.00 41.25 44.43 3ih9 s ASN 110 CO 0.76 -0.90 1.78 0.00 -2.04 0.00 0.00 177.10 176.70 3ih9 n ALA 111 N -0.52 2.21 0.08 3.54 0.00 -1.26 -3.51 120.51 121.05 3ih9 n ALA 111 Ca -0.06 -0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.32 3ih9 n ALA 111 Cb 0.61 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 3ih9 n ALA 111 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3ih9 h MET 112 N 0.00 0.00 -6.63 0.00 2.86 -1.90 -3.35 114.93 105.91 3ih9 h MET 112 Ca 0.00 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 57.13 3ih9 h MET 112 Cb 0.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 3ih9 h MET 112 CO 0.00 0.22 -0.03 0.96 1.06 0.00 0.00 176.91 179.12 3ih9 s ILE 113 N -3.08 4.90 0.17 -1.22 -4.36 -1.23 -4.89 121.20 111.49 3ih9 s ILE 113 Ca -0.01 0.40 -0.24 0.00 -0.26 0.00 0.00 60.65 60.55 3ih9 s ILE 113 Cb 0.09 -3.70 0.07 0.00 1.25 0.00 0.00 42.46 40.16 3ih9 s ILE 113 CO 0.79 -0.34 1.58 0.78 0.24 0.00 0.00 174.94 177.99 3ih9 h ASN 114 N 1.72 -1.30 -0.94 4.36 4.21 -1.89 0.15 115.58 121.88 3ih9 h ASN 114 Ca -0.47 0.23 0.14 0.00 1.21 0.00 0.00 56.30 57.41 3ih9 h ASN 114 Cb 1.18 0.61 -0.08 0.00 -1.12 0.00 0.00 38.32 38.91 3ih9 h ASN 114 CO 0.66 -0.33 0.60 0.00 -1.29 0.00 0.00 177.43 177.07 3ih9 h ALA 115 N 0.76 1.74 -0.13 -0.83 0.00 -1.94 0.13 119.26 118.98 3ih9 h ALA 115 Ca 0.19 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 3ih9 h ALA 115 Cb 0.56 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ih9 h ALA 115 CO -0.65 0.00 -0.49 0.78 0.00 0.00 0.00 179.25 178.89 3ih9 h GLY 116 N 0.78 0.38 1.61 0.00 0.00 -0.89 -2.81 103.07 102.14 3ih9 h GLY 116 Ca 0.48 -0.41 -0.17 0.00 0.00 0.00 0.00 47.33 47.23 3ih9 h GLY 116 CO -0.24 0.37 -0.67 0.00 0.00 0.00 0.00 176.54 175.99 3ih9 h ALA 117 N 1.20 0.67 -0.53 3.60 0.00 0.10 -2.20 119.26 122.11 3ih9 h ALA 117 Ca 0.01 -0.58 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 3ih9 h ALA 117 Cb 0.97 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3ih9 h ALA 117 CO 0.08 0.75 0.05 -0.07 0.00 0.00 0.00 179.25 180.06 3ih9 h LEU 118 N 0.27 0.81 -0.70 0.00 3.38 -0.83 -0.62 115.31 117.63 3ih9 h LEU 118 Ca -0.02 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.64 3ih9 h LEU 118 Cb 1.23 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 3ih9 h LEU 118 CO 0.11 0.85 -0.42 0.00 0.09 0.00 0.00 178.44 179.07 3ih9 h ALA 119 N 1.25 0.88 -0.02 1.53 0.00 -1.38 -2.63 119.26 118.88 3ih9 h ALA 119 Ca 0.16 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3ih9 h ALA 119 Cb 0.41 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3ih9 h ALA 119 CO 0.01 0.64 -0.00 0.28 0.00 0.00 0.00 179.25 180.18 3ih9 h VAL 120 N 0.41 1.28 -0.63 0.00 2.07 -0.81 -2.91 116.25 115.66 3ih9 h VAL 120 Ca 0.03 -0.85 0.10 0.00 0.82 0.00 0.00 66.70 66.81 3ih9 h VAL 120 Cb 0.91 1.82 -0.07 0.00 -1.52 0.00 0.00 31.29 32.43 3ih9 h VAL 120 CO 0.08 0.22 0.24 -0.74 0.02 0.00 0.00 177.57 177.39 3ih9 h HIS 121 N -0.31 0.42 -0.87 1.57 6.17 -1.12 -0.57 115.15 120.43 3ih9 h HIS 121 Ca 0.00 0.03 0.16 0.00 0.71 0.00 0.00 60.37 61.28 3ih9 h HIS 121 Cb 0.36 -0.09 -0.07 0.00 2.52 0.00 0.00 27.41 30.13 3ih9 h HIS 121 CO 0.05 0.10 0.57 0.37 0.71 0.00 0.00 177.93 179.73 3ih9 h GLN 122 N 0.42 0.55 -0.01 5.26 5.75 -1.38 -0.03 115.11 125.68 3ih9 h GLN 122 Ca 0.32 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.79 3ih9 h GLN 122 Cb 0.40 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.82 3ih9 h GLN 122 CO -0.31 0.37 -0.13 1.28 -2.65 0.00 0.00 178.83 177.38 3ih9 n LEU 123 N -4.54 0.66 -0.32 -2.39 4.77 -0.27 -4.67 117.00 110.22 3ih9 n LEU 123 Ca 0.18 -0.09 0.28 0.00 -0.03 0.00 0.00 56.01 56.34 3ih9 n LEU 123 Cb 0.54 -0.15 0.53 0.00 -2.33 0.00 0.00 43.42 42.01 3ih9 n LEU 123 CO 0.30 0.12 1.04 -0.07 -1.33 0.00 0.00 177.39 177.45 3ih9 h LEU 124 N 0.82 0.27 0.00 2.23 3.38 -0.46 -3.34 115.31 118.22 3ih9 h LEU 124 Ca 0.00 0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3ih9 h LEU 124 Cb 0.39 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3ih9 h LEU 124 CO 0.00 -0.36 -0.89 0.52 0.09 0.00 0.00 178.44 177.80 3ih9 n VAL 125 N -5.24 0.00 0.00 1.22 0.31 -1.26 -4.61 118.33 108.75 3ih9 n VAL 125 Ca 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.68 3ih9 n VAL 125 Cb 1.15 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 3ih9 n VAL 125 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ih9 n GLY 126 N 3.27 0.20 0.31 2.92 0.00 -1.25 -4.85 105.19 105.79 3ih9 n GLY 126 Ca 0.00 -1.06 0.01 0.00 0.00 0.00 0.00 46.02 44.97 3ih9 n GLY 126 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ih9 h PRO 127 N 0.00 0.71 -0.65 1.61 0.11 -1.91 -2.78 132.00 129.10 3ih9 h PRO 127 Ca 0.00 -0.08 -0.06 0.00 0.11 0.00 0.00 66.00 65.96 3ih9 h PRO 127 Cb 0.00 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 30.93 3ih9 h PRO 127 CO 0.00 0.55 0.08 0.39 -0.21 0.00 0.00 178.00 178.81 3ih9 n GLU 128 N -4.38 4.48 -2.67 1.05 1.02 -1.26 -4.97 120.64 113.91 3ih9 n GLU 128 Ca 0.04 -3.05 -0.37 0.00 -0.02 0.00 0.00 57.16 53.77 3ih9 n GLU 128 Cb 0.12 -2.24 -0.05 0.00 -0.02 0.00 0.00 31.44 29.25 3ih9 n GLU 128 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ih9 s ALA 129 N -2.78 3.15 0.43 0.62 0.00 -1.05 -5.05 121.76 117.08 3ih9 s ALA 129 Ca 0.53 0.61 -0.02 0.00 0.00 0.00 0.00 51.96 53.08 3ih9 s ALA 129 Cb 0.41 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 3ih9 s ALA 129 CO 0.15 -0.01 0.68 -1.54 0.00 0.00 0.00 175.76 175.03 3ih9 s SER 130 N -1.61 6.15 0.20 0.00 1.04 -1.26 -4.94 113.70 113.28 3ih9 s SER 130 Ca 0.54 0.60 -0.14 0.00 0.48 0.00 0.00 55.95 57.44 3ih9 s SER 130 Cb -0.20 -1.99 0.22 0.00 0.10 0.00 0.00 66.02 64.15 3ih9 s SER 130 CO 0.25 -0.52 1.64 -0.09 0.98 0.00 0.00 173.24 175.50 3ih9 h ARG 131 N 0.44 0.01 -0.94 4.02 2.43 -1.97 -1.46 114.38 116.91 3ih9 h ARG 131 Ca -0.48 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.69 3ih9 h ARG 131 Cb 1.22 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.72 3ih9 h ARG 131 CO 0.61 0.01 0.56 -0.22 -1.51 0.00 0.00 179.97 179.42 3ih9 h LYS 132 N 0.01 1.27 -0.52 0.20 3.64 -2.00 -2.64 116.57 116.53 3ih9 h LYS 132 Ca 0.29 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 3ih9 h LYS 132 Cb 0.44 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3ih9 h LYS 132 CO -0.59 0.89 -0.07 0.93 -2.27 0.00 0.00 179.45 178.34 3ih9 h GLU 133 N 1.29 0.94 -0.52 1.90 5.08 -1.67 -1.81 114.58 119.79 3ih9 h GLU 133 Ca 0.34 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3ih9 h GLU 133 Cb -0.05 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3ih9 h GLU 133 CO -0.06 0.97 0.06 0.00 -1.00 0.00 0.00 179.01 178.98 3ih9 h ARG 134 N 0.85 0.87 -0.05 2.33 3.08 -1.12 0.05 114.38 120.39 3ih9 h ARG 134 Ca 0.14 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 3ih9 h ARG 134 Cb 0.60 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 3ih9 h ARG 134 CO 0.04 0.87 0.01 1.25 -1.07 0.00 0.00 179.97 181.07 3ih9 h LEU 135 N 0.75 0.07 -1.08 3.04 6.46 -1.41 -0.59 115.31 122.56 3ih9 h LEU 135 Ca 0.15 -0.21 0.09 0.00 -0.12 0.00 0.00 57.88 57.79 3ih9 h LEU 135 Cb 0.44 -0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 40.28 3ih9 h LEU 135 CO 0.01 0.27 0.62 0.44 -0.62 0.00 0.00 178.44 179.16 3ih9 h ASP 136 N -0.12 0.92 -0.57 1.25 5.19 -1.24 0.21 116.42 122.06 3ih9 h ASP 136 Ca 0.02 0.03 -0.10 0.00 -0.62 0.00 0.00 57.03 56.35 3ih9 h ASP 136 Cb 0.22 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.54 3ih9 h ASP 136 CO -0.00 0.54 -0.02 -0.09 -3.12 0.00 0.00 179.24 176.55 3ih9 h ARG 137 N 1.02 1.04 0.62 3.56 9.65 -0.61 0.46 114.38 130.11 3ih9 h ARG 137 Ca 0.45 -0.34 -0.03 0.00 -1.10 0.00 0.00 59.98 58.96 3ih9 h ARG 137 Cb 0.35 -0.09 0.01 0.00 -1.39 0.00 0.00 29.97 28.85 3ih9 h ARG 137 CO -0.20 1.03 -0.30 0.00 2.80 0.00 0.00 179.97 183.30 3ih9 h ALA 138 N 1.02 -0.83 -0.86 2.80 0.00 0.53 -1.32 119.26 120.60 3ih9 h ALA 138 Ca 0.16 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.96 3ih9 h ALA 138 Cb 0.58 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 3ih9 h ALA 138 CO 0.03 -0.90 0.56 0.28 0.00 0.00 0.00 179.25 179.22 3ih9 h VAL 139 N -0.96 1.00 0.57 0.00 2.07 -0.56 -2.74 116.25 115.63 3ih9 h VAL 139 Ca -0.08 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 3ih9 h VAL 139 Cb 0.68 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3ih9 h VAL 139 CO 0.14 0.16 -0.27 -0.08 0.02 0.00 0.00 177.57 177.54 3ih9 h GLU 140 N 0.88 -0.74 -0.71 1.57 4.81 0.14 -1.47 114.58 119.06 3ih9 h GLU 140 Ca 0.39 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.79 3ih9 h GLU 140 Cb 0.34 0.17 -0.08 0.00 0.63 0.00 0.00 28.75 29.80 3ih9 h GLU 140 CO -0.15 -0.44 0.30 0.97 -0.73 0.00 0.00 179.01 178.95 3ih9 h ILE 141 N -0.91 0.73 -0.28 2.32 6.09 -1.04 0.14 117.51 124.56 3ih9 h ILE 141 Ca -0.08 -0.16 -0.06 0.00 -1.37 0.00 0.00 64.86 63.18 3ih9 h ILE 141 Cb 0.64 0.21 -0.02 0.00 0.47 0.00 0.00 36.82 38.13 3ih9 h ILE 141 CO 0.13 0.09 -0.10 0.24 -3.07 0.00 0.00 178.15 175.44 3ih9 h MET 142 N 0.48 0.47 -0.16 2.19 2.86 -1.48 -2.92 114.93 116.37 3ih9 h MET 142 Ca 0.37 -0.13 -0.18 0.00 -2.06 0.00 0.00 59.70 57.70 3ih9 h MET 142 Cb 0.50 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 3ih9 h MET 142 CO -0.35 0.58 -0.64 0.77 1.06 0.00 0.00 176.91 178.33 3ih9 h SER 143 N 0.44 0.69 0.70 1.22 0.02 0.15 -1.78 113.55 114.99 3ih9 h SER 143 Ca 0.09 -0.41 -0.07 0.00 -0.84 0.00 0.00 61.79 60.55 3ih9 h SER 143 Cb 0.45 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3ih9 h SER 143 CO 0.02 1.16 -0.35 -0.07 -1.14 0.00 0.00 176.83 176.45 3ih9 h LEU 144 N 0.44 0.00 0.03 5.07 3.38 -0.66 0.18 115.31 123.74 3ih9 h LEU 144 Ca -0.01 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.66 3ih9 h LEU 144 Cb 1.22 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 3ih9 h LEU 144 CO 0.12 0.35 -1.70 -0.07 0.09 0.00 0.00 178.44 177.24 3ih9 h LEU 145 N 0.00 0.09 -0.99 1.67 3.38 -1.50 -3.28 115.31 114.68 3ih9 h LEU 145 Ca -0.00 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 3ih9 h LEU 145 Cb 0.80 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3ih9 h LEU 145 CO 0.05 1.17 -0.38 0.00 0.09 0.00 0.00 178.44 179.36 3ih9 h ALA 146 N 0.82 1.03 0.00 1.53 0.00 -1.21 -3.36 119.26 118.07 3ih9 h ALA 146 Ca -0.29 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3ih9 h ALA 146 Cb 2.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.73 3ih9 h ALA 146 CO 0.09 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.23 3ih9 n GLY 147 N 0.14 0.72 3.28 0.00 0.00 0.01 -4.90 105.19 104.45 3ih9 n GLY 147 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3ih9 n GLY 147 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ih9 s ARG 148 N -0.33 0.81 0.02 1.61 1.70 -0.97 -5.01 118.95 116.78 3ih9 s ARG 148 Ca 0.00 -0.32 -0.30 0.00 -0.47 0.00 0.00 55.73 54.64 3ih9 s ARG 148 Cb 0.00 0.36 -0.07 0.00 -0.57 0.00 0.00 34.95 34.67 3ih9 s ARG 148 CO 0.00 -0.26 1.56 1.03 -1.08 0.00 0.00 175.30 176.55 3ih9 s ARG 149 N -2.06 4.22 0.31 3.89 0.52 -1.26 -4.56 118.95 120.01 3ih9 s ARG 149 Ca -0.08 2.17 0.04 0.00 -0.52 0.00 0.00 55.73 57.34 3ih9 s ARG 149 Cb -0.02 -3.66 -0.02 0.00 0.52 0.00 0.00 34.95 31.77 3ih9 s ARG 149 CO 0.00 -0.70 0.47 -0.51 0.02 0.00 0.00 175.30 174.58 3ih9 s LEU 150 N 2.81 4.09 0.14 2.53 1.43 -1.26 -5.09 118.68 123.33 3ih9 s LEU 150 Ca 0.70 0.12 0.08 0.00 -1.03 0.00 0.00 54.13 53.99 3ih9 s LEU 150 Cb -0.35 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 3ih9 s LEU 150 CO 0.30 -0.28 -0.17 -0.44 0.23 0.00 0.00 176.35 175.98 3ih9 s SER 151 N -4.07 2.42 -0.22 2.29 0.01 -1.26 -4.98 113.70 107.89 3ih9 s SER 151 Ca 0.40 -0.82 -0.17 0.00 1.31 0.00 0.00 55.95 56.66 3ih9 s SER 151 Cb -0.09 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 3ih9 s SER 151 CO 0.32 -0.06 0.48 -0.69 0.41 0.00 0.00 173.24 173.70 3ih9 s VAL 152 N -1.95 5.13 -0.87 3.43 1.01 -1.26 0.08 120.40 125.96 3ih9 s VAL 152 Ca 0.12 0.85 -0.25 0.00 0.00 0.00 0.00 61.98 62.69 3ih9 s VAL 152 Cb -0.06 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.56 3ih9 s VAL 152 CO 0.05 0.18 1.38 -0.62 0.00 0.00 0.00 175.10 176.09 3ih9 s ASP 153 N 1.24 6.28 0.63 3.32 -1.08 0.25 -4.84 116.67 122.46 3ih9 s ASP 153 Ca 0.21 -0.90 0.41 0.00 -0.52 0.00 0.00 52.55 51.76 3ih9 s ASP 153 Cb -0.15 -2.56 2.07 0.00 -1.46 0.00 0.00 42.92 40.81 3ih9 s ASP 153 CO 0.09 -1.72 2.24 -0.50 0.52 0.00 0.00 175.17 175.80 3ih9 h TRP 154 N 10.06 0.00 -0.33 -5.34 4.06 -1.95 -1.85 115.95 120.60 3ih9 h TRP 154 Ca -0.05 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.81 3ih9 h TRP 154 Cb 1.03 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.18 3ih9 h TRP 154 CO 1.20 0.00 -0.15 1.49 -3.56 0.00 0.00 178.44 177.42 3ih9 h GLU 155 N 0.00 0.69 -0.38 0.49 4.81 -1.98 -0.86 114.58 117.35 3ih9 h GLU 155 Ca -0.00 -0.30 -0.16 0.00 -0.13 0.00 0.00 59.36 58.77 3ih9 h GLU 155 Cb 0.18 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3ih9 h GLU 155 CO 0.00 0.89 -0.40 1.15 -0.73 0.00 0.00 179.01 179.93 3ih9 h THR 156 N 0.46 1.27 -0.01 0.32 2.02 -1.79 -2.54 112.91 112.65 3ih9 h THR 156 Ca 0.08 -1.57 0.03 0.00 0.77 0.00 0.00 66.41 65.71 3ih9 h THR 156 Cb 0.68 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 3ih9 h THR 156 CO 0.05 0.52 -0.18 0.22 0.37 0.00 0.00 175.52 176.50 3ih9 h TYR 157 N 0.75 -0.47 -0.33 3.16 3.20 -1.22 0.46 116.97 122.52 3ih9 h TYR 157 Ca 0.06 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.97 3ih9 h TYR 157 Cb 0.99 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 39.44 3ih9 h TYR 157 CO 0.06 -0.26 0.16 0.93 -1.64 0.00 0.00 178.16 177.41 3ih9 h GLU 158 N -0.29 0.32 -0.97 1.82 4.39 -1.15 0.04 114.58 118.73 3ih9 h GLU 158 Ca 0.06 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.85 3ih9 h GLU 158 Cb 0.37 -0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 28.86 3ih9 h GLU 158 CO -0.18 0.21 0.60 1.03 -1.16 0.00 0.00 179.01 179.52 3ih9 h SER 159 N 0.33 0.90 -0.16 1.42 0.87 -1.02 -2.60 113.55 113.29 3ih9 h SER 159 Ca 0.14 0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.63 3ih9 h SER 159 Cb 0.06 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 3ih9 h SER 159 CO -0.10 0.49 -0.35 -0.08 -0.53 0.00 0.00 176.83 176.26 3ih9 h GLU 160 N 0.98 0.53 0.00 2.24 4.57 -0.10 -3.23 114.58 119.57 3ih9 h GLU 160 Ca 0.47 -0.35 -0.00 0.00 -1.18 0.00 0.00 59.36 58.30 3ih9 h GLU 160 Cb 0.43 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3ih9 h GLU 160 CO -0.25 0.96 -0.01 0.52 -1.18 0.00 0.00 179.01 179.04 3ih9 h MET 161 N 0.16 0.00 0.00 1.92 2.86 -0.66 -1.15 114.93 118.06 3ih9 h MET 161 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3ih9 h MET 161 Cb 0.95 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.61 3ih9 h MET 161 CO 0.08 0.01 0.00 0.00 1.06 0.00 0.00 176.91 178.06 3ih9 h ALA 162 N 1.99 1.00 -1.18 6.32 0.00 -1.49 -3.23 119.26 122.68 3ih9 h ALA 162 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.51 3ih9 h ALA 162 Cb 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.41 3ih9 h ALA 162 CO 0.00 0.00 -1.15 1.33 0.00 0.00 0.00 179.25 179.43 3ih9 n VAL 163 N -2.48 1.02 -1.10 0.00 0.24 -0.45 -4.91 118.33 110.65 3ih9 n VAL 163 Ca 0.01 -3.43 -0.05 0.00 -2.04 0.00 0.00 64.34 58.82 3ih9 n VAL 163 Cb 0.21 0.35 0.28 0.00 -1.47 0.00 0.00 33.84 33.22 3ih9 n VAL 163 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3ih9 n SER 164 N -0.06 4.42 -0.32 -1.34 7.64 -1.12 -4.64 113.62 118.19 3ih9 n SER 164 Ca 0.14 -3.29 0.03 0.00 1.01 0.00 0.00 58.87 56.76 3ih9 n SER 164 Cb 0.78 -0.72 0.17 0.00 -1.01 0.00 0.00 64.21 63.43 3ih9 n SER 164 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3ih9 h ASP 165 N 2.29 0.83 0.03 6.43 3.32 -1.90 -0.26 116.42 127.15 3ih9 h ASP 165 Ca 0.26 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 3ih9 h ASP 165 Cb 2.21 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 41.63 3ih9 h ASP 165 CO 0.68 0.50 -0.01 -0.09 -1.72 0.00 0.00 179.24 178.59 3ih9 h ARG 166 N 0.95 -0.04 -0.44 3.56 2.43 -2.00 0.01 114.38 118.85 3ih9 h ARG 166 Ca 0.41 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.55 3ih9 h ARG 166 Cb 0.29 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3ih9 h ARG 166 CO -0.21 0.09 0.11 -0.91 -1.51 0.00 0.00 179.97 177.54 3ih9 h ASN 167 N -0.16 0.61 -0.45 -3.80 2.35 -1.85 -0.80 115.58 111.47 3ih9 h ASN 167 Ca -0.00 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 3ih9 h ASN 167 Cb 0.15 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3ih9 h ASN 167 CO 0.01 0.61 0.14 -0.07 -1.65 0.00 0.00 177.43 176.47 3ih9 h LEU 168 N 0.65 0.71 -0.12 1.61 3.38 -0.76 0.68 115.31 121.45 3ih9 h LEU 168 Ca 0.15 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ih9 h LEU 168 Cb 0.24 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3ih9 h LEU 168 CO -0.00 0.69 0.07 -1.28 0.09 0.00 0.00 178.44 178.01 3ih9 h SER 169 N 0.75 0.15 0.26 -0.43 0.87 0.33 0.35 113.55 115.82 3ih9 h SER 169 Ca 0.17 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3ih9 h SER 169 Cb 0.25 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 3ih9 h SER 169 CO -0.01 0.15 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.25 3ih9 h LEU 170 N 0.13 -0.29 -0.75 2.23 3.38 -0.54 -1.77 115.31 117.69 3ih9 h LEU 170 Ca 0.04 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3ih9 h LEU 170 Cb 0.03 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 3ih9 h LEU 170 CO -0.01 -0.15 0.42 0.00 0.09 0.00 0.00 178.44 178.80 3ih9 h ALA 171 N 0.32 1.04 -0.32 1.53 0.00 -0.76 0.16 119.26 121.23 3ih9 h ALA 171 Ca -0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ih9 h ALA 171 Cb 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3ih9 h ALA 171 CO 0.06 0.08 0.15 0.45 0.00 0.00 0.00 179.25 179.98 3ih9 h HIS 172 N 0.74 0.47 -0.41 0.00 3.86 -0.79 -0.08 115.15 118.94 3ih9 h HIS 172 Ca 0.35 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.54 3ih9 h HIS 172 Cb 0.28 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 3ih9 h HIS 172 CO -0.07 0.43 0.27 1.98 0.86 0.00 0.00 177.93 181.39 3ih9 h MET 173 N 0.38 0.53 -0.64 2.45 -1.53 -0.71 -0.59 114.93 114.83 3ih9 h MET 173 Ca 0.11 -0.03 0.01 0.00 -3.44 0.00 0.00 59.70 56.35 3ih9 h MET 173 Cb 0.14 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.04 3ih9 h MET 173 CO -0.01 0.35 0.42 -0.07 0.14 0.00 0.00 176.91 177.74 3ih9 h LEU 174 N 0.54 0.72 -0.47 3.39 3.38 -0.71 -1.30 115.31 120.85 3ih9 h LEU 174 Ca 0.15 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 3ih9 h LEU 174 Cb -0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3ih9 h LEU 174 CO -0.04 0.51 -0.11 0.03 0.09 0.00 0.00 178.44 178.92 3ih9 h ARG 175 N 0.84 0.91 -0.78 1.13 3.08 -0.31 0.15 114.38 119.40 3ih9 h ARG 175 Ca 0.24 -0.35 0.17 0.00 0.07 0.00 0.00 59.98 60.11 3ih9 h ARG 175 Cb -0.06 -0.05 -0.11 0.00 0.08 0.00 0.00 29.97 29.82 3ih9 h ARG 175 CO -0.06 1.00 0.26 1.03 -1.07 0.00 0.00 179.97 181.14 3ih9 h SER 176 N 0.76 0.16 -0.41 7.04 0.87 0.02 0.16 113.55 122.15 3ih9 h SER 176 Ca 0.12 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 3ih9 h SER 176 Cb 0.66 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 3ih9 h SER 176 CO 0.05 0.01 0.00 -1.22 -0.53 0.00 0.00 176.83 175.14 3ih9 n TYR 177 N -5.08 0.54 -1.04 2.24 4.02 -0.91 -4.93 117.16 112.01 3ih9 n TYR 177 Ca 0.16 -0.27 -0.01 0.00 -0.01 0.00 0.00 57.90 57.76 3ih9 n TYR 177 Cb 0.49 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.80 3ih9 n TYR 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ih9 n GLY 178 N 1.20 0.50 0.12 2.72 0.00 0.57 -4.91 105.19 105.38 3ih9 n GLY 178 Ca 0.15 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 3ih9 n GLY 178 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ih9 h VAL 179 N 0.00 1.53 -3.65 1.61 2.07 -0.93 -3.43 116.25 113.44 3ih9 h VAL 179 Ca -0.03 -2.72 -0.68 0.00 0.82 0.00 0.00 66.70 64.10 3ih9 h VAL 179 Cb 0.22 2.51 -0.18 0.00 -1.52 0.00 0.00 31.29 32.32 3ih9 h VAL 179 CO 0.04 0.79 -0.70 -0.76 0.02 0.00 0.00 177.57 176.96 3ih9 s LEU 180 N -7.32 3.16 -0.21 2.57 1.43 -1.12 -4.95 118.68 112.24 3ih9 s LEU 180 Ca -0.02 -0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 3ih9 s LEU 180 Cb 0.10 -1.75 -0.12 0.00 0.03 0.00 0.00 46.19 44.45 3ih9 s LEU 180 CO 0.82 0.32 -0.22 0.00 0.23 0.00 0.00 176.35 177.51 3ih9 n GLN 181 N 1.91 0.49 -1.60 1.70 3.00 -1.26 -4.44 117.38 117.18 3ih9 n GLN 181 Ca -0.17 0.15 -0.30 0.00 -0.01 0.00 0.00 57.00 56.67 3ih9 n GLN 181 Cb 0.53 -1.36 0.20 0.00 0.00 0.00 0.00 30.24 29.61 3ih9 n GLN 181 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3ih9 s ASP 182 N -6.33 2.30 0.46 1.08 -0.00 -1.26 -5.01 116.67 107.91 3ih9 s ASP 182 Ca -0.29 0.43 -0.23 0.00 -0.00 0.00 0.00 52.55 52.46 3ih9 s ASP 182 Cb 0.09 -0.57 -0.07 0.00 -0.00 0.00 0.00 42.92 42.37 3ih9 s ASP 182 CO 0.44 -3.25 1.17 -0.94 -0.00 0.00 0.00 175.17 172.59 3ih9 s SER 183 N -4.49 6.15 0.25 0.27 1.04 -1.26 -4.91 113.70 110.75 3ih9 s SER 183 Ca 0.72 2.33 -0.03 0.00 0.48 0.00 0.00 55.95 59.45 3ih9 s SER 183 Cb -0.06 -2.60 0.46 0.00 0.10 0.00 0.00 66.02 63.91 3ih9 s SER 183 CO 0.54 -0.93 1.79 0.00 0.98 0.00 0.00 173.24 175.61 3ih9 h ALA 184 N 2.05 1.21 -0.25 5.32 0.00 -1.94 -1.87 119.26 123.78 3ih9 h ALA 184 Ca -0.49 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 3ih9 h ALA 184 Cb 1.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3ih9 h ALA 184 CO 0.60 0.01 0.09 1.49 0.00 0.00 0.00 179.25 181.44 3ih9 h GLU 185 N 0.71 0.38 -0.25 0.00 4.22 -1.93 -1.86 114.58 115.85 3ih9 h GLU 185 Ca 0.42 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.79 3ih9 h GLU 185 Cb 0.50 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3ih9 h GLU 185 CO -0.30 0.43 0.16 1.49 -2.18 0.00 0.00 179.01 178.61 3ih9 h GLU 186 N 0.25 0.33 -0.42 1.92 4.81 -1.75 -1.45 114.58 118.27 3ih9 h GLU 186 Ca 0.08 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.18 3ih9 h GLU 186 Cb 0.20 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3ih9 h GLU 186 CO -0.01 0.23 -0.17 0.82 -0.73 0.00 0.00 179.01 179.16 3ih9 h ILE 187 N 0.32 1.27 -0.31 2.32 1.08 -1.35 -2.13 117.51 118.71 3ih9 h ILE 187 Ca 0.09 -1.27 -0.11 0.00 -0.39 0.00 0.00 64.86 63.18 3ih9 h ILE 187 Cb -0.02 1.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 3ih9 h ILE 187 CO -0.02 0.43 -0.26 0.58 -0.69 0.00 0.00 178.15 178.19 3ih9 h VAL 188 N 0.71 1.27 -0.46 1.67 2.07 -1.15 -0.46 116.25 119.90 3ih9 h VAL 188 Ca 0.11 -1.35 -0.05 0.00 0.82 0.00 0.00 66.70 66.23 3ih9 h VAL 188 Cb 0.67 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3ih9 h VAL 188 CO 0.05 0.44 0.07 0.00 0.02 0.00 0.00 177.57 178.15 3ih9 h ALA 189 N 1.17 0.61 -0.58 1.67 0.00 -1.13 0.47 119.26 121.47 3ih9 h ALA 189 Ca 0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3ih9 h ALA 189 Cb 0.73 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3ih9 h ALA 189 CO 0.06 0.34 0.19 0.78 0.00 0.00 0.00 179.25 180.61 3ih9 h GLY 190 N 0.62 0.96 1.68 0.00 0.00 -1.14 -1.07 103.07 104.13 3ih9 h GLY 190 Ca 0.14 -0.56 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 3ih9 h GLY 190 CO 0.01 0.52 -0.43 -1.82 0.00 0.00 0.00 176.54 174.83 3ih9 h TYR 191 N 0.81 0.42 -0.09 5.60 3.20 -0.87 -1.61 116.97 124.42 3ih9 h TYR 191 Ca 0.19 -0.12 -0.17 0.00 3.14 0.00 0.00 58.73 61.77 3ih9 h TYR 191 Cb 0.27 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 3ih9 h TYR 191 CO 0.02 0.72 -0.66 0.28 -1.64 0.00 0.00 178.16 176.88 3ih9 h VAL 192 N 0.29 1.38 -0.33 1.81 2.07 -0.69 -1.54 116.25 119.23 3ih9 h VAL 192 Ca 0.02 -2.04 -0.07 0.00 0.82 0.00 0.00 66.70 65.43 3ih9 h VAL 192 Cb 0.87 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 3ih9 h VAL 192 CO 0.07 0.61 -0.08 0.00 0.02 0.00 0.00 177.57 178.19 3ih9 h ALA 193 N 1.04 0.45 -0.59 1.67 0.00 -1.07 -2.60 119.26 118.17 3ih9 h ALA 193 Ca -0.02 -0.30 0.12 0.00 0.00 0.00 0.00 54.91 54.72 3ih9 h ALA 193 Cb 1.20 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.78 3ih9 h ALA 193 CO 0.11 0.29 0.02 0.37 0.00 0.00 0.00 179.25 180.05 3ih9 h GLN 194 N 0.42 0.14 0.00 0.00 4.15 -1.11 -0.32 115.11 118.39 3ih9 h GLN 194 Ca 0.08 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3ih9 h GLN 194 Cb 0.58 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.24 3ih9 h GLN 194 CO 0.03 0.09 0.00 0.00 -1.93 0.00 0.00 178.83 177.02 3ih9 n ALA 196 N -1.72 2.51 -1.86 0.00 0.00 -0.14 -0.10 120.51 119.21 3ih9 n ALA 196 Ca 0.03 -0.58 -0.42 0.00 0.00 0.00 0.00 53.44 52.48 3ih9 n ALA 196 Cb 0.26 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 3ih9 n ALA 196 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ih9 s VAL 197 N -1.80 2.52 -0.15 0.00 1.01 -1.13 -0.59 120.40 120.26 3ih9 s VAL 197 Ca 0.34 0.42 -0.19 0.00 0.00 0.00 0.00 61.98 62.55 3ih9 s VAL 197 Cb 0.19 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 3ih9 s VAL 197 CO 0.28 0.06 0.55 -0.76 0.00 0.00 0.00 175.10 175.23 3ih9 s LEU 198 N -0.12 4.22 0.13 3.92 1.43 0.11 -0.81 118.68 127.56 3ih9 s LEU 198 Ca 0.62 0.82 -0.02 0.00 -1.03 0.00 0.00 54.13 54.53 3ih9 s LEU 198 Cb -0.44 -2.79 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 3ih9 s LEU 198 CO 0.42 -0.12 0.07 0.68 0.23 0.00 0.00 176.35 177.63 3ih9 s VAL 199 N 1.20 0.11 0.38 -1.59 -7.23 -0.50 -4.41 120.40 108.36 3ih9 s VAL 199 Ca 0.27 -1.84 0.08 0.00 -1.81 0.00 0.00 61.98 58.69 3ih9 s VAL 199 Cb -0.16 -1.96 -0.06 0.00 0.56 0.00 0.00 36.38 34.76 3ih9 s VAL 199 CO 0.11 -0.50 0.07 0.42 -0.31 0.00 0.00 175.10 174.89 3ih9 s THR 200 N -4.02 2.38 0.32 5.32 -4.23 -1.26 -1.51 115.64 112.63 3ih9 s THR 200 Ca 0.21 -1.89 0.07 0.00 -1.18 0.00 0.00 61.69 58.91 3ih9 s THR 200 Cb 0.07 -2.91 0.31 0.00 1.34 0.00 0.00 72.50 71.32 3ih9 s THR 200 CO 0.00 -0.09 1.79 0.58 -0.54 0.00 0.00 174.62 176.37 3ih9 h VAL 201 N 1.67 0.72 -0.44 2.29 2.07 -1.75 -0.30 116.25 120.51 3ih9 h VAL 201 Ca -0.43 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 3ih9 h VAL 201 Cb 1.25 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3ih9 h VAL 201 CO 0.71 0.13 0.02 0.11 0.02 0.00 0.00 177.57 178.56 3ih9 h LYS 202 N 0.73 0.77 -0.27 1.57 1.57 -1.86 -1.78 116.57 117.30 3ih9 h LYS 202 Ca 0.56 -0.24 0.05 0.00 -1.87 0.00 0.00 60.65 59.15 3ih9 h LYS 202 Cb 0.91 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.10 3ih9 h LYS 202 CO -0.34 0.82 -0.02 -0.44 -0.57 0.00 0.00 179.45 178.90 3ih9 h ASP 203 N 0.62 -0.16 -0.56 0.86 3.32 -1.39 -1.62 116.42 117.49 3ih9 h ASP 203 Ca 0.13 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3ih9 h ASP 203 Cb 0.47 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 3ih9 h ASP 203 CO 0.02 -0.05 0.36 -0.07 -1.72 0.00 0.00 179.24 177.78 3ih9 h LEU 204 N 0.05 0.65 -0.75 1.55 3.38 -1.26 0.63 115.31 119.57 3ih9 h LEU 204 Ca 0.13 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.12 3ih9 h LEU 204 Cb 0.18 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3ih9 h LEU 204 CO -0.24 0.49 0.46 0.00 0.09 0.00 0.00 178.44 179.23 3ih9 h ALA 205 N 1.19 1.00 -0.29 1.53 0.00 -0.88 0.21 119.26 122.03 3ih9 h ALA 205 Ca 0.20 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 3ih9 h ALA 205 Cb -0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3ih9 h ALA 205 CO -0.04 0.21 -0.41 0.28 0.00 0.00 0.00 179.25 179.28 3ih9 h VAL 206 N 0.86 1.29 -0.76 0.00 2.07 -0.92 -1.90 116.25 116.90 3ih9 h VAL 206 Ca 0.32 -1.59 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 3ih9 h VAL 206 Cb 0.10 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 3ih9 h VAL 206 CO -0.15 0.52 0.34 0.24 0.02 0.00 0.00 177.57 178.54 3ih9 h MET 207 N 0.56 1.11 0.00 1.57 2.07 -0.43 -2.32 114.93 117.50 3ih9 h MET 207 Ca 0.03 -0.18 -0.08 0.00 -2.07 0.00 0.00 59.70 57.40 3ih9 h MET 207 Cb 1.00 -0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 30.53 3ih9 h MET 207 CO 0.10 0.89 -0.38 0.78 1.07 0.00 0.00 176.91 179.36 3ih9 h GLY 208 N 1.08 0.00 1.64 8.32 0.00 -0.49 -2.73 103.07 110.89 3ih9 h GLY 208 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.49 3ih9 h GLY 208 CO -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 176.54 176.22 3ih9 h ALA 209 N 1.62 1.10 -0.92 3.60 0.00 -0.79 -0.11 119.26 123.76 3ih9 h ALA 209 Ca -0.00 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.56 3ih9 h ALA 209 Cb 0.68 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 3ih9 h ALA 209 CO 0.05 0.56 0.61 0.00 0.00 0.00 0.00 179.25 180.47 3ih9 h LEU 211 N 1.23 0.52 -1.57 0.00 3.38 -1.51 0.55 115.31 117.91 3ih9 h LEU 211 Ca 0.34 -0.60 0.11 0.00 0.09 0.00 0.00 57.88 57.82 3ih9 h LEU 211 Cb -0.12 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 3ih9 h LEU 211 CO -0.08 1.03 0.45 0.00 0.09 0.00 0.00 178.44 179.93 3ih9 h ALA 212 N 0.50 2.00 -0.00 1.53 0.00 -0.28 -0.72 119.26 122.29 3ih9 h ALA 212 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ih9 h ALA 212 Cb 0.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3ih9 h ALA 212 CO 0.08 -0.16 -0.17 0.25 0.00 0.00 0.00 179.25 179.25 3ih9 n THR 213 N -4.48 0.00 -0.21 0.00 -2.24 0.35 -0.05 114.28 107.66 3ih9 n THR 213 Ca 0.12 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3ih9 n THR 213 Cb 0.41 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 3ih9 n THR 213 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ih9 n GLY 214 N 1.35 0.88 0.00 3.38 0.00 -0.28 -4.37 105.19 106.15 3ih9 n GLY 214 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3ih9 n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ih9 n GLY 215 N -2.21 0.85 3.77 -0.02 0.00 0.19 -3.18 105.19 104.59 3ih9 n GLY 215 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3ih9 n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ih9 s ILE 216 N -2.00 5.29 -0.13 -0.61 1.01 -1.19 0.06 121.20 123.63 3ih9 s ILE 216 Ca 0.00 0.53 -0.29 0.00 0.00 0.00 0.00 60.65 60.89 3ih9 s ILE 216 Cb 0.00 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 3ih9 s ILE 216 CO 0.00 0.46 1.21 -2.28 0.00 0.00 0.00 174.94 174.33 3ih9 s HIS 217 N -0.04 3.04 0.47 3.97 5.65 -0.39 -4.25 115.29 123.74 3ih9 s HIS 217 Ca 0.17 1.14 0.32 0.00 0.25 0.00 0.00 55.06 56.94 3ih9 s HIS 217 Cb -0.13 -3.44 1.72 0.00 -1.18 0.00 0.00 32.58 29.55 3ih9 s HIS 217 CO 0.05 -1.41 2.17 -1.00 -0.65 0.00 0.00 174.74 173.90 3ih9 h PRO 218 N 7.83 0.00 0.00 2.88 0.13 -1.88 0.36 132.00 141.32 3ih9 h PRO 218 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3ih9 h PRO 218 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3ih9 h PRO 218 CO 0.93 0.06 -0.50 -1.33 -0.23 0.00 0.00 178.00 176.93 3ih9 n MET 219 N -3.52 0.02 0.00 0.86 2.81 -1.26 -3.14 117.12 112.90 3ih9 n MET 219 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 3ih9 n MET 219 Cb 0.18 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 3ih9 n MET 219 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3ih9 n THR 220 N -1.54 0.00 -0.54 2.03 -2.24 -1.07 -5.02 114.28 105.90 3ih9 n THR 220 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3ih9 n THR 220 Cb 0.34 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 3ih9 n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ih9 n GLY 221 N 1.75 0.72 3.82 3.38 0.00 0.13 -5.03 105.19 109.95 3ih9 n GLY 221 Ca 0.00 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 3ih9 n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ih9 s GLU 222 N -0.56 4.08 -0.31 1.61 2.12 -1.25 -4.81 118.70 119.58 3ih9 s GLU 222 Ca 0.00 0.60 -0.29 0.00 0.36 0.00 0.00 54.97 55.64 3ih9 s GLU 222 Cb 0.00 -3.20 0.01 0.00 0.26 0.00 0.00 34.13 31.21 3ih9 s GLU 222 CO 0.00 0.64 1.12 0.50 -0.54 0.00 0.00 175.26 176.98 3ih9 s ARG 223 N -1.20 4.04 0.11 4.30 3.52 -1.26 -1.27 118.95 127.20 3ih9 s ARG 223 Ca 0.28 1.11 0.21 0.00 -0.13 0.00 0.00 55.73 57.20 3ih9 s ARG 223 Cb -0.18 -3.76 -0.11 0.00 -1.56 0.00 0.00 34.95 29.33 3ih9 s ARG 223 CO 0.17 -0.94 0.84 -1.33 -0.81 0.00 0.00 175.30 173.23 3ih9 n MET 224 N 6.95 0.62 -3.70 5.12 2.81 0.11 -4.96 117.12 124.07 3ih9 n MET 224 Ca 0.12 0.06 -0.11 0.00 -1.81 0.00 0.00 57.70 55.96 3ih9 n MET 224 Cb 0.47 -1.74 -0.06 0.00 -0.71 0.00 0.00 33.22 31.18 3ih9 n MET 224 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3ih9 s LEU 225 N -5.25 0.62 0.47 4.03 1.43 -0.93 -5.06 118.68 113.99 3ih9 s LEU 225 Ca -0.03 -0.21 -0.23 0.00 -1.03 0.00 0.00 54.13 52.64 3ih9 s LEU 225 Cb 0.10 1.61 -0.07 0.00 0.03 0.00 0.00 46.19 47.86 3ih9 s LEU 225 CO 0.82 -0.72 1.15 -2.84 0.23 0.00 0.00 176.35 175.00 3ih9 s PRO 226 N -3.04 3.74 0.42 1.29 0.02 -1.26 -4.46 135.00 131.71 3ih9 s PRO 226 Ca -0.02 1.74 0.10 0.00 0.02 0.00 0.00 61.00 62.84 3ih9 s PRO 226 Cb 0.01 -2.37 0.91 0.00 0.02 0.00 0.00 34.50 33.07 3ih9 s PRO 226 CO -0.06 -0.56 2.01 0.66 -0.33 0.00 0.00 177.00 178.71 3ih9 h SER 227 N 1.97 0.24 -0.64 2.53 4.64 -1.94 -2.22 113.55 118.13 3ih9 h SER 227 Ca -0.49 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 60.71 3ih9 h SER 227 Cb 1.25 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 3ih9 h SER 227 CO 0.60 0.29 0.06 0.40 -0.87 0.00 0.00 176.83 177.31 3ih9 h ILE 228 N 0.27 1.26 -0.06 0.95 1.08 -1.91 -1.19 117.51 117.92 3ih9 h ILE 228 Ca 0.06 -1.09 -0.01 0.00 -0.39 0.00 0.00 64.86 63.43 3ih9 h ILE 228 Cb 0.17 0.70 -0.00 0.00 -3.07 0.00 0.00 36.82 34.62 3ih9 h ILE 228 CO 0.00 0.40 -0.02 0.58 -0.69 0.00 0.00 178.15 178.43 3ih9 h VAL 229 N 1.01 1.31 -0.91 1.67 2.07 -1.83 -2.10 116.25 117.47 3ih9 h VAL 229 Ca 0.19 -0.96 0.07 0.00 0.82 0.00 0.00 66.70 66.82 3ih9 h VAL 229 Cb 0.49 1.83 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 3ih9 h VAL 229 CO 0.02 0.26 0.59 0.00 0.02 0.00 0.00 177.57 178.47 3ih9 h ALA 230 N 0.64 1.51 -0.00 1.67 0.00 -1.37 -1.38 119.26 120.33 3ih9 h ALA 230 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ih9 h ALA 230 Cb 0.43 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ih9 h ALA 230 CO 0.01 0.35 0.00 -0.09 0.00 0.00 0.00 179.25 179.52 3ih9 h ARG 231 N 1.03 0.00 -0.02 0.00 2.43 -1.05 -1.14 114.38 115.63 3ih9 h ARG 231 Ca 0.39 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.58 3ih9 h ARG 231 Cb 0.20 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 3ih9 h ARG 231 CO -0.15 0.03 -0.09 -0.09 -1.51 0.00 0.00 179.97 178.16 3ih9 h ARG 232 N -0.02 -0.13 -0.44 0.20 9.65 -0.70 0.03 114.38 122.97 3ih9 h ARG 232 Ca 0.00 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 58.96 3ih9 h ARG 232 Cb 0.02 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.57 3ih9 h ARG 232 CO -0.00 -0.09 0.07 0.28 2.80 0.00 0.00 179.97 183.03 3ih9 h VAL 233 N -0.14 0.74 0.00 0.20 2.07 -1.08 -0.61 116.25 117.43 3ih9 h VAL 233 Ca 0.04 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 3ih9 h VAL 233 Cb 0.19 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3ih9 h VAL 233 CO -0.11 0.03 -0.37 0.58 0.02 0.00 0.00 177.57 177.72 3ih9 h VAL 234 N 0.19 1.18 0.01 2.57 2.07 -0.93 -1.70 116.25 119.64 3ih9 h VAL 234 Ca 0.22 -1.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 3ih9 h VAL 234 Cb 0.29 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3ih9 h VAL 234 CO -0.30 0.37 -0.01 0.28 0.02 0.00 0.00 177.57 177.93 3ih9 h SER 235 N 0.00 -0.01 0.59 0.57 0.02 0.50 -2.18 113.55 113.04 3ih9 h SER 235 Ca -0.00 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.79 3ih9 h SER 235 Cb 0.70 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 3ih9 h SER 235 CO 0.05 0.06 -0.40 0.58 -1.14 0.00 0.00 176.83 175.98 3ih9 h VAL 236 N -0.09 1.10 -0.28 2.27 2.07 -1.09 -1.68 116.25 118.55 3ih9 h VAL 236 Ca -0.00 -1.47 -0.04 0.00 0.82 0.00 0.00 66.70 66.01 3ih9 h VAL 236 Cb 0.08 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3ih9 h VAL 236 CO 0.00 0.39 0.03 0.24 0.02 0.00 0.00 177.57 178.25 3ih9 h MET 237 N 0.00 0.48 -0.25 1.57 2.86 -1.10 0.15 114.93 118.64 3ih9 h MET 237 Ca -0.00 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 3ih9 h MET 237 Cb 0.80 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 3ih9 h MET 237 CO 0.05 0.61 0.09 1.15 1.06 0.00 0.00 176.91 179.87 3ih9 h THR 238 N 0.28 1.18 0.00 2.22 2.02 -1.14 0.55 112.91 118.02 3ih9 h THR 238 Ca 0.08 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.65 3ih9 h THR 238 Cb 0.38 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3ih9 h THR 238 CO 0.01 0.19 -0.46 0.77 0.37 0.00 0.00 175.52 176.40 3ih9 h SER 239 N 0.24 0.00 0.00 4.18 4.64 -1.28 -3.40 113.55 117.92 3ih9 h SER 239 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3ih9 h SER 239 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3ih9 h SER 239 CO -0.00 0.19 -0.42 -1.20 -0.87 0.00 0.00 176.83 174.53 3ih9 n SER 240 N -3.03 2.09 -0.34 4.97 7.64 0.50 -4.60 113.62 120.84 3ih9 n SER 240 Ca 0.01 -0.13 0.21 0.00 1.01 0.00 0.00 58.87 59.98 3ih9 n SER 240 Cb 0.62 0.67 0.46 0.00 -1.01 0.00 0.00 64.21 64.95 3ih9 n SER 240 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3ih9 h GLY 241 N 0.00 1.53 -2.49 0.23 0.00 0.30 -0.46 103.07 102.17 3ih9 h GLY 241 Ca 0.00 -0.25 -0.19 0.00 0.00 0.00 0.00 47.33 46.89 3ih9 h GLY 241 CO 0.00 -0.19 0.11 1.03 0.00 0.00 0.00 176.54 177.49 3ih9 n MET 242 N -4.74 2.51 0.00 4.80 2.81 -1.26 -4.71 117.12 116.53 3ih9 n MET 242 Ca 0.26 -3.06 0.00 0.00 -1.81 0.00 0.00 57.70 53.10 3ih9 n MET 242 Cb 0.83 -1.95 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 3ih9 n MET 242 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3ih9 n TYR 243 N -0.80 0.00 0.68 2.03 4.02 -0.19 -1.15 117.16 121.75 3ih9 n TYR 243 Ca 0.35 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.34 3ih9 n TYR 243 Cb 1.15 0.00 0.42 0.00 -0.02 0.00 0.00 39.34 40.90 3ih9 n TYR 243 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3ih9 n ASP 244 N 4.28 0.03 -1.19 7.72 8.00 -1.26 -2.54 116.55 131.58 3ih9 n ASP 244 Ca 0.00 0.50 0.12 0.00 0.71 0.00 0.00 54.79 56.12 3ih9 n ASP 244 Cb 0.00 -0.51 0.24 0.00 -0.02 0.00 0.00 41.12 40.83 3ih9 n ASP 244 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ih9 n ALA 245 N -1.51 2.41 -0.31 2.24 0.00 -0.30 -4.54 120.51 118.50 3ih9 n ALA 245 Ca 0.05 -1.05 0.11 0.00 0.00 0.00 0.00 53.44 52.55 3ih9 n ALA 245 Cb 0.23 -0.90 0.34 0.00 0.00 0.00 0.00 19.45 19.12 3ih9 n ALA 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ih9 h ALA 246 N 4.47 1.74 0.30 0.00 0.00 -1.34 0.09 119.26 124.52 3ih9 h ALA 246 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ih9 h ALA 246 Cb 0.98 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3ih9 h ALA 246 CO 0.00 -0.02 -0.14 0.78 0.00 0.00 0.00 179.25 179.87 3ih9 h GLY 247 N 0.77 -0.42 0.56 0.00 0.00 -1.85 0.16 103.07 102.31 3ih9 h GLY 247 Ca 0.49 0.15 0.08 0.00 0.00 0.00 0.00 47.33 48.05 3ih9 h GLY 247 CO -0.26 -0.15 0.34 -1.61 0.00 0.00 0.00 176.54 174.86 3ih9 h GLN 248 N -0.70 0.59 -0.54 4.80 5.75 -1.80 -1.09 115.11 122.11 3ih9 h GLN 248 Ca -0.04 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.35 3ih9 h GLN 248 Cb 0.48 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 3ih9 h GLN 248 CO 0.07 0.39 0.05 2.35 -2.65 0.00 0.00 178.83 179.04 3ih9 h TRP 249 N 0.60 0.94 -0.58 3.99 2.91 -0.93 -0.43 115.95 122.45 3ih9 h TRP 249 Ca 0.32 -0.12 -0.01 0.00 1.13 0.00 0.00 58.89 60.20 3ih9 h TRP 249 Cb 0.28 -0.26 -0.03 0.00 -0.51 0.00 0.00 29.16 28.65 3ih9 h TRP 249 CO -0.10 0.82 0.31 1.25 -1.03 0.00 0.00 178.44 179.69 3ih9 h LEU 250 N 0.83 0.74 -0.02 0.65 7.12 0.53 -1.75 115.31 123.40 3ih9 h LEU 250 Ca 0.17 -0.10 -0.01 0.00 0.13 0.00 0.00 57.88 58.06 3ih9 h LEU 250 Cb 0.42 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.36 3ih9 h LEU 250 CO 0.01 0.63 -0.04 0.00 -0.13 0.00 0.00 178.44 178.91 3ih9 h ALA 251 N 1.14 0.03 0.00 1.25 0.00 -0.91 -2.04 119.26 118.73 3ih9 h ALA 251 Ca 0.20 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3ih9 h ALA 251 Cb 0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3ih9 h ALA 251 CO -0.03 -0.14 -0.52 -0.44 0.00 0.00 0.00 179.25 178.12 3ih9 h ASP 252 N -0.51 0.00 0.00 0.00 3.32 -1.14 -3.42 116.42 114.67 3ih9 h ASP 252 Ca -0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 3ih9 h ASP 252 Cb 0.64 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 3ih9 h ASP 252 CO 0.01 0.52 -0.94 0.52 -1.72 0.00 0.00 179.24 177.62 3ih9 n VAL 253 N -3.41 0.56 -1.21 -1.35 0.31 -0.71 -4.82 118.33 107.71 3ih9 n VAL 253 Ca 0.01 0.06 -0.07 0.00 -0.01 0.00 0.00 64.34 64.32 3ih9 n VAL 253 Cb 0.66 -1.61 -0.03 0.00 -0.91 0.00 0.00 33.84 31.94 3ih9 n VAL 253 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ih9 n GLY 254 N 2.83 0.92 3.23 2.92 0.00 -0.77 -4.57 105.19 109.76 3ih9 n GLY 254 Ca -0.07 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 3ih9 n GLY 254 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ih9 s ILE 255 N -2.20 3.09 0.02 -0.61 1.01 -1.26 -0.78 121.20 120.47 3ih9 s ILE 255 Ca 0.00 -0.94 -0.32 0.00 0.00 0.00 0.00 60.65 59.40 3ih9 s ILE 255 Cb 0.00 -2.56 -0.10 0.00 0.01 0.00 0.00 42.46 39.80 3ih9 s ILE 255 CO 0.00 0.19 1.91 -2.65 0.00 0.00 0.00 174.94 174.39 3ih9 n PRO 256 N 4.71 2.63 -3.99 2.79 -0.02 -1.26 -4.88 135.00 134.99 3ih9 n PRO 256 Ca -0.16 0.96 -0.10 0.00 -2.02 0.00 0.00 63.50 62.18 3ih9 n PRO 256 Cb 0.47 -2.87 -0.07 0.00 -0.02 0.00 0.00 33.50 31.01 3ih9 n PRO 256 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ih9 s ALA 257 N 3.95 0.05 -0.22 3.55 0.00 -1.26 -1.45 121.76 126.39 3ih9 s ALA 257 Ca 0.89 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 51.75 3ih9 s ALA 257 Cb -0.53 0.95 0.07 0.00 0.00 0.00 0.00 23.12 23.61 3ih9 s ALA 257 CO 0.44 -0.68 0.55 0.21 0.00 0.00 0.00 175.76 176.28 3ih9 s LYS 258 N -3.99 0.57 0.32 0.00 2.47 -0.59 -4.45 119.74 114.07 3ih9 s LYS 258 Ca 0.20 0.94 0.09 0.00 -1.56 0.00 0.00 55.97 55.64 3ih9 s LYS 258 Cb 0.03 0.12 -0.04 0.00 -1.46 0.00 0.00 37.83 36.47 3ih9 s LYS 258 CO 0.03 -0.14 0.09 -1.54 0.16 0.00 0.00 175.35 173.95 3ih9 s SER 259 N 1.22 4.63 0.12 1.43 1.04 -1.26 -0.90 113.70 119.98 3ih9 s SER 259 Ca -0.07 -0.74 0.10 0.00 0.48 0.00 0.00 55.95 55.72 3ih9 s SER 259 Cb -0.06 -0.77 -0.04 0.00 0.10 0.00 0.00 66.02 65.25 3ih9 s SER 259 CO -0.12 -0.20 -0.25 -0.83 0.98 0.00 0.00 173.24 172.82 3ih9 s GLY 260 N -3.79 1.46 0.00 7.32 0.00 0.15 -4.08 107.32 108.39 3ih9 s GLY 260 Ca 0.35 -1.39 0.03 0.00 0.00 0.00 0.00 44.72 43.72 3ih9 s GLY 260 CO 0.22 -1.37 0.83 3.33 0.00 0.00 0.00 173.10 176.11 3ih9 n VAL 261 N 1.01 0.64 1.31 1.40 0.24 -1.26 -1.80 118.33 119.87 3ih9 n VAL 261 Ca -0.18 0.16 0.13 0.00 -2.04 0.00 0.00 64.34 62.41 3ih9 n VAL 261 Cb 0.53 -1.11 0.37 0.00 -1.47 0.00 0.00 33.84 32.17 3ih9 n VAL 261 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ih9 n ALA 262 N -1.18 2.75 0.00 2.33 0.00 -1.26 -4.16 120.51 118.98 3ih9 n ALA 262 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3ih9 n ALA 262 Cb 0.02 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3ih9 n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ih9 n GLY 263 N 1.26 0.72 3.78 0.00 0.00 -0.74 -4.25 105.19 105.96 3ih9 n GLY 263 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3ih9 n GLY 263 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ih9 s GLY 264 N -1.47 2.87 -0.07 -0.02 0.00 -1.21 -1.24 107.32 106.20 3ih9 s GLY 264 Ca 0.00 0.30 0.01 0.00 0.00 0.00 0.00 44.72 45.03 3ih9 s GLY 264 CO 0.00 0.79 -0.08 0.14 0.00 0.00 0.00 173.10 173.95 3ih9 s VAL 265 N -1.12 0.89 -0.11 1.40 1.01 0.37 0.31 120.40 123.15 3ih9 s VAL 265 Ca 0.34 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 3ih9 s VAL 265 Cb -0.22 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 3ih9 s VAL 265 CO 0.25 0.31 0.01 -0.22 0.00 0.00 0.00 175.10 175.45 3ih9 s LEU 266 N 0.98 3.62 0.13 3.92 0.20 -0.08 -1.22 118.68 126.24 3ih9 s LEU 266 Ca -0.09 0.12 0.05 0.00 0.69 0.00 0.00 54.13 54.89 3ih9 s LEU 266 Cb -0.15 -1.85 -0.04 0.00 -0.43 0.00 0.00 46.19 43.72 3ih9 s LEU 266 CO 0.00 0.32 -0.12 -0.83 -0.29 0.00 0.00 176.35 175.43 3ih9 s GLY 267 N -0.50 1.03 -0.29 7.98 0.00 0.11 -1.54 107.32 114.11 3ih9 s GLY 267 Ca 0.09 -1.36 0.03 0.00 0.00 0.00 0.00 44.72 43.48 3ih9 s GLY 267 CO 0.02 -1.44 0.60 0.00 0.00 0.00 0.00 173.10 172.29 3ih9 s ALA 268 N -2.70 -2.37 -0.44 3.20 0.00 -0.53 -1.61 121.76 117.32 3ih9 s ALA 268 Ca 0.11 1.39 -0.11 0.00 0.00 0.00 0.00 51.96 53.35 3ih9 s ALA 268 Cb -0.01 -2.39 0.08 0.00 0.00 0.00 0.00 23.12 20.80 3ih9 s ALA 268 CO 0.01 -1.62 0.31 -1.17 0.00 0.00 0.00 175.76 173.30 3ih9 s LEU 269 N 2.84 5.36 -0.05 0.00 2.96 -0.29 -4.03 118.68 125.47 3ih9 s LEU 269 Ca 0.15 -1.48 -0.35 0.00 -0.22 0.00 0.00 54.13 52.23 3ih9 s LEU 269 Cb -0.12 -2.06 -0.17 0.00 0.50 0.00 0.00 46.19 44.34 3ih9 s LEU 269 CO -0.24 -0.59 0.97 -2.65 -1.32 0.00 0.00 176.35 172.52 3ih9 n PRO 270 N 5.02 0.00 -0.77 0.98 -0.02 -1.26 -0.15 135.00 138.80 3ih9 n PRO 270 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 3ih9 n PRO 270 Cb 0.43 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 3ih9 n PRO 270 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ih9 n GLY 271 N 1.55 0.18 0.66 -1.23 0.00 0.93 -4.76 105.19 102.52 3ih9 n GLY 271 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3ih9 n GLY 271 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ih9 n ARG 272 N -1.17 0.00 -3.60 1.61 1.74 0.78 -4.92 116.66 111.10 3ih9 n ARG 272 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 3ih9 n ARG 272 Cb 0.15 -0.55 -0.04 0.00 -1.02 0.00 0.00 32.46 31.01 3ih9 n ARG 272 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3ih9 s VAL 273 N -1.75 0.00 -0.09 1.55 0.11 -0.99 -4.21 120.40 115.02 3ih9 s VAL 273 Ca 0.00 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.03 3ih9 s VAL 273 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 3ih9 s VAL 273 CO 0.00 0.00 0.02 -0.83 -3.33 0.00 0.00 175.10 170.96 3ih9 s GLY 274 N -1.40 1.89 -0.03 6.54 0.00 0.02 -1.13 107.32 113.21 3ih9 s GLY 274 Ca 0.04 -0.79 0.03 0.00 0.00 0.00 0.00 44.72 44.01 3ih9 s GLY 274 CO -0.03 -0.55 -0.12 -0.42 0.00 0.00 0.00 173.10 171.98 3ih9 s ILE 275 N -0.90 1.01 -0.08 0.90 1.01 -0.63 -1.15 121.20 121.36 3ih9 s ILE 275 Ca 0.14 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.32 3ih9 s ILE 275 Cb -0.11 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.48 3ih9 s ILE 275 CO 0.03 0.30 -0.16 -0.83 0.00 0.00 0.00 174.94 174.28 3ih9 s GLY 276 N 0.10 0.97 0.02 6.18 0.00 -0.39 -0.71 107.32 113.50 3ih9 s GLY 276 Ca -0.03 -0.60 0.03 0.00 0.00 0.00 0.00 44.72 44.13 3ih9 s GLY 276 CO 0.01 -0.02 -0.09 0.14 0.00 0.00 0.00 173.10 173.14 3ih9 s VAL 277 N 0.58 0.73 -0.04 1.40 1.01 -0.36 -0.43 120.40 123.29 3ih9 s VAL 277 Ca -0.16 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 3ih9 s VAL 277 Cb -0.16 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.57 3ih9 s VAL 277 CO 0.05 -0.04 0.07 0.12 0.00 0.00 0.00 175.10 175.30 3ih9 s PHE 278 N -0.72 -0.02 -0.30 5.22 5.36 0.05 -0.48 117.98 127.09 3ih9 s PHE 278 Ca -0.01 0.27 -0.04 0.00 -0.96 0.00 0.00 56.93 56.19 3ih9 s PHE 278 Cb -0.06 -0.25 0.19 0.00 -0.34 0.00 0.00 43.02 42.56 3ih9 s PHE 278 CO 0.00 -0.14 0.84 0.45 -1.46 0.00 0.00 175.22 174.91 3ih9 s SER 279 N 1.38 -0.97 0.23 6.13 0.15 -0.37 -1.33 113.70 118.92 3ih9 s SER 279 Ca -0.06 0.20 -0.02 0.00 0.70 0.00 0.00 55.95 56.77 3ih9 s SER 279 Cb -0.12 1.65 0.47 0.00 -1.71 0.00 0.00 66.02 66.31 3ih9 s SER 279 CO -0.04 -0.18 1.22 -2.65 1.20 0.00 0.00 173.24 172.79 3ih9 n PRO 280 N 5.29 -0.07 -2.34 5.44 -0.02 -1.26 -4.36 135.00 137.68 3ih9 n PRO 280 Ca 0.05 1.19 -0.40 0.00 -2.02 0.00 0.00 63.50 62.32 3ih9 n PRO 280 Cb 0.55 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 32.17 3ih9 n PRO 280 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3ih9 s ARG 281 N -5.85 4.50 0.12 -0.52 0.52 -1.26 -4.15 118.95 112.32 3ih9 s ARG 281 Ca -0.11 1.94 0.06 0.00 -0.52 0.00 0.00 55.73 57.11 3ih9 s ARG 281 Cb 0.22 -3.11 -0.04 0.00 0.52 0.00 0.00 34.95 32.54 3ih9 s ARG 281 CO 0.61 0.04 -0.04 -0.51 0.02 0.00 0.00 175.30 175.41 3ih9 s LEU 282 N -1.65 3.26 0.00 2.53 1.43 0.18 -1.33 118.68 123.09 3ih9 s LEU 282 Ca 0.47 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 3ih9 s LEU 282 Cb -0.34 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 43.92 3ih9 s LEU 282 CO 0.45 0.15 0.22 -0.90 0.23 0.00 0.00 176.35 176.50 3ih9 n ASP 283 N 0.42 0.07 0.30 2.29 5.68 0.10 -1.77 116.55 123.64 3ih9 n ASP 283 Ca -0.11 -1.11 0.17 0.00 -0.50 0.00 0.00 54.79 53.23 3ih9 n ASP 283 Cb 0.53 -0.17 0.96 0.00 -1.14 0.00 0.00 41.12 41.30 3ih9 n ASP 283 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3ih9 h GLU 284 N 0.00 0.00 -0.17 0.11 -0.00 -1.99 -2.10 114.58 110.43 3ih9 h GLU 284 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.29 3ih9 h GLU 284 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.96 3ih9 h GLU 284 CO 0.06 0.00 0.00 1.33 -0.00 0.00 0.00 179.01 180.40 3ih9 n VAL 285 N -3.70 0.21 -0.07 -1.06 0.24 -1.26 -4.97 118.33 107.71 3ih9 n VAL 285 Ca -0.03 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 3ih9 n VAL 285 Cb 0.11 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 3ih9 n VAL 285 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ih9 n GLY 286 N 1.37 0.54 3.95 7.63 0.00 -0.79 -5.09 105.19 112.81 3ih9 n GLY 286 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 3ih9 n GLY 286 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ih9 s ASN 287 N -2.99 6.26 -0.29 1.61 0.01 -1.26 -4.60 114.94 113.68 3ih9 s ASN 287 Ca 0.00 0.36 -0.28 0.00 -0.71 0.00 0.00 52.86 52.23 3ih9 s ASN 287 Cb 0.00 -1.95 -0.03 0.00 0.41 0.00 0.00 41.25 39.68 3ih9 s ASN 287 CO 0.00 -0.28 1.95 -0.55 -1.51 0.00 0.00 177.10 176.70 3ih9 s SER 288 N -4.04 5.73 0.14 -1.22 0.15 -1.26 0.01 113.70 113.22 3ih9 s SER 288 Ca 0.40 1.50 -0.30 0.00 0.70 0.00 0.00 55.95 58.24 3ih9 s SER 288 Cb -0.09 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.64 3ih9 s SER 288 CO 0.35 -1.81 1.56 0.00 1.20 0.00 0.00 173.24 174.54 3ih9 h ALA 289 N 13.67 -0.61 -0.04 5.45 0.00 -1.46 0.97 119.26 137.25 3ih9 h ALA 289 Ca -0.36 0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.40 3ih9 h ALA 289 Cb 1.19 1.06 -0.01 0.00 0.00 0.00 0.00 17.79 20.03 3ih9 h ALA 289 CO 1.01 -0.97 -0.78 0.00 0.00 0.00 0.00 179.25 178.51 3ih9 h ARG 290 N -0.33 0.31 -0.34 0.00 3.08 -1.86 -2.44 114.38 112.80 3ih9 h ARG 290 Ca 0.11 -0.28 0.02 0.00 0.07 0.00 0.00 59.98 59.91 3ih9 h ARG 290 Cb 0.58 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 3ih9 h ARG 290 CO -0.63 0.94 0.17 0.78 -1.07 0.00 0.00 179.97 180.16 3ih9 h GLY 291 N 1.49 0.45 0.91 0.04 0.00 -1.74 0.64 103.07 104.86 3ih9 h GLY 291 Ca -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 3ih9 h GLY 291 CO 0.13 0.09 0.11 -2.08 0.00 0.00 0.00 176.54 174.79 3ih9 h VAL 292 N 0.34 1.19 -0.09 4.60 2.07 -0.83 -2.41 116.25 121.13 3ih9 h VAL 292 Ca 0.14 -0.62 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 3ih9 h VAL 292 Cb 0.05 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3ih9 h VAL 292 CO -0.10 0.21 -0.24 0.25 0.02 0.00 0.00 177.57 177.71 3ih9 h LEU 293 N 0.36 0.14 -0.84 2.57 5.85 -0.95 -2.36 115.31 120.09 3ih9 h LEU 293 Ca 0.10 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 3ih9 h LEU 293 Cb 0.22 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3ih9 h LEU 293 CO -0.01 0.40 0.21 0.00 -0.34 0.00 0.00 178.44 178.71 3ih9 h ALA 294 N 1.62 1.06 -0.46 1.25 0.00 0.61 -1.27 119.26 122.07 3ih9 h ALA 294 Ca 0.02 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 3ih9 h ALA 294 Cb 0.51 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3ih9 h ALA 294 CO 0.04 0.64 -0.12 0.00 0.00 0.00 0.00 179.25 179.80 3ih9 h ARG 296 N 0.76 0.79 -0.26 0.00 2.43 -1.09 -2.19 114.38 114.82 3ih9 h ARG 296 Ca 0.12 -0.29 -0.05 0.00 -0.81 0.00 0.00 59.98 58.95 3ih9 h ARG 296 Cb 0.63 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 3ih9 h ARG 296 CO 0.04 0.90 -0.02 0.00 -1.51 0.00 0.00 179.97 179.39 3ih9 h ARG 297 N 0.70 0.48 -0.85 0.20 2.47 -0.92 -1.71 114.38 114.75 3ih9 h ARG 297 Ca 0.11 -0.16 0.01 0.00 -1.26 0.00 0.00 59.98 58.67 3ih9 h ARG 297 Cb 0.67 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.91 3ih9 h ARG 297 CO 0.05 0.66 0.55 -0.07 0.56 0.00 0.00 179.97 181.72 3ih9 h LEU 298 N 0.25 0.99 -0.04 3.04 3.38 -1.14 0.46 115.31 122.26 3ih9 h LEU 298 Ca 0.07 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3ih9 h LEU 298 Cb 0.46 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3ih9 h LEU 298 CO 0.02 0.73 -0.01 -1.28 0.09 0.00 0.00 178.44 177.98 3ih9 h SER 299 N 1.16 0.07 -0.47 -0.43 0.87 -1.24 -1.99 113.55 111.52 3ih9 h SER 299 Ca 0.31 -0.38 -0.12 0.00 -1.23 0.00 0.00 61.79 60.37 3ih9 h SER 299 Cb -0.11 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 3ih9 h SER 299 CO -0.07 0.44 -0.14 -0.33 -0.53 0.00 0.00 176.83 176.20 3ih9 h GLU 300 N -0.30 0.96 0.01 2.24 5.08 -1.08 0.31 114.58 121.81 3ih9 h GLU 300 Ca 0.01 -0.37 -0.21 0.00 -1.00 0.00 0.00 59.36 57.80 3ih9 h GLU 300 Cb 0.41 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3ih9 h GLU 300 CO 0.00 1.03 -0.92 -0.44 -1.00 0.00 0.00 179.01 177.69 3ih9 h ASP 301 N 0.85 0.29 -0.01 1.42 3.32 -0.96 -3.33 116.42 118.01 3ih9 h ASP 301 Ca 0.13 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3ih9 h ASP 301 Cb 0.70 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3ih9 h ASP 301 CO 0.05 1.06 -0.02 0.49 -1.72 0.00 0.00 179.24 179.11 3ih9 n PHE 302 N -3.65 0.00 -3.37 4.55 0.99 -0.75 -4.97 117.46 110.26 3ih9 n PHE 302 Ca -0.04 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.17 3ih9 n PHE 302 Cb 0.83 0.00 0.05 0.00 -1.00 0.00 0.00 39.48 39.36 3ih9 n PHE 302 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3ih9 n ARG 303 N 0.52 -5.98 -2.81 -1.08 5.12 0.10 -4.87 116.66 107.66 3ih9 n ARG 303 Ca 0.06 0.81 -0.43 0.00 -1.93 0.00 0.00 57.85 56.36 3ih9 n ARG 303 Cb 0.26 -5.74 -0.01 0.00 -1.16 0.00 0.00 32.46 25.81 3ih9 n ARG 303 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3ih9 s LEU 304 N -6.98 4.56 -0.04 0.55 1.43 -1.01 -4.85 118.68 112.35 3ih9 s LEU 304 Ca 0.46 -2.28 0.01 0.00 -1.03 0.00 0.00 54.13 51.29 3ih9 s LEU 304 Cb -0.21 -2.46 0.02 0.00 0.03 0.00 0.00 46.19 43.57 3ih9 s LEU 304 CO 0.57 -1.07 -0.04 -2.28 0.23 0.00 0.00 176.35 173.76 3ih9 s HIS 305 N 3.04 0.64 0.40 0.29 2.46 -1.26 -4.42 115.29 116.43 3ih9 s HIS 305 Ca 0.42 -0.15 0.22 0.00 0.47 0.00 0.00 55.06 56.01 3ih9 s HIS 305 Cb -0.02 -0.57 1.24 0.00 -0.13 0.00 0.00 32.58 33.10 3ih9 s HIS 305 CO -0.04 -0.15 1.67 1.25 -2.47 0.00 0.00 174.74 175.00 3ih9 h LEU 306 N 7.02 0.38 -0.77 8.88 5.85 -1.22 0.42 115.31 135.86 3ih9 h LEU 306 Ca -0.38 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3ih9 h LEU 306 Cb 1.15 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3ih9 h LEU 306 CO 0.48 -0.11 0.00 0.23 -0.34 0.00 0.00 178.44 178.70 3ih9 n MET 307 N -4.81 1.51 -3.25 1.25 2.81 -1.26 -4.62 117.12 108.75 3ih9 n MET 307 Ca 0.33 -0.77 -0.46 0.00 -1.81 0.00 0.00 57.70 54.99 3ih9 n MET 307 Cb 1.15 -1.37 -0.04 0.00 -0.71 0.00 0.00 33.22 32.25 3ih9 n MET 307 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3ih9 s ASP 308 N -1.59 6.30 0.36 7.83 -0.00 0.15 -5.02 116.67 124.70 3ih9 s ASP 308 Ca 0.31 -1.86 -0.27 0.00 -0.00 0.00 0.00 52.55 50.72 3ih9 s ASP 308 Cb 0.16 -2.24 -0.12 0.00 -0.00 0.00 0.00 42.92 40.72 3ih9 s ASP 308 CO 0.25 -0.88 1.24 0.61 -0.00 0.00 0.00 175.17 176.39 3ih9 n GLY 309 N 5.05 0.46 2.70 0.21 0.00 -1.26 -4.79 105.19 107.55 3ih9 n GLY 309 Ca -0.07 0.28 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 3ih9 n GLY 309 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ih9 s ASP 310 N -0.40 -0.02 0.31 1.61 -1.08 -1.26 -5.14 116.67 110.69 3ih9 s ASP 310 Ca 0.57 -2.01 0.09 0.00 -0.52 0.00 0.00 52.55 50.69 3ih9 s ASP 310 Cb -0.57 0.91 -0.05 0.00 -1.46 0.00 0.00 42.92 41.76 3ih9 s ASP 310 CO 0.61 -0.14 0.00 -0.44 0.52 0.00 0.00 175.17 175.72 3ih9 s SER 311 N 0.85 4.30 0.01 -0.34 0.01 -1.26 -5.05 113.70 112.22 3ih9 s SER 311 Ca 0.27 -0.85 -0.23 0.00 1.31 0.00 0.00 55.95 56.44 3ih9 s SER 311 Cb -0.03 -0.63 -0.17 0.00 0.21 0.00 0.00 66.02 65.39 3ih9 s SER 311 CO -0.09 -0.14 1.31 0.25 0.41 0.00 0.00 173.24 174.98 3ih9 h LEU 312 N 1.85 0.17 0.00 2.44 5.85 -1.96 -3.48 115.31 120.18 3ih9 h LEU 312 Ca -0.43 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 57.81 3ih9 h LEU 312 Cb 1.25 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3ih9 h LEU 312 CO 0.63 0.62 0.00 0.61 -0.34 0.00 0.00 178.44 179.96 3ih9 n GLY 313 N 0.19 3.33 0.19 3.75 0.00 -1.26 -1.77 105.19 109.62 3ih9 n GLY 313 Ca -0.07 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 45.91 3ih9 n GLY 313 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ih9 h GLY 314 N 0.00 0.00 1.18 -0.02 0.00 -1.79 -2.53 103.07 99.92 3ih9 h GLY 314 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ih9 h GLY 314 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.95 3ih9 n THR 315 N -2.47 0.22 0.25 4.70 -1.04 -0.73 -1.20 114.28 114.01 3ih9 n THR 315 Ca 0.00 0.05 0.12 0.00 -2.04 0.00 0.00 64.05 62.19 3ih9 n THR 315 Cb 0.16 -0.85 0.62 0.00 -1.82 0.00 0.00 70.33 68.44 3ih9 n THR 315 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ih9 h ALA 316 N 2.73 1.14 -1.94 2.41 0.00 -1.63 -3.37 119.26 118.59 3ih9 h ALA 316 Ca 0.00 -0.14 -0.69 0.00 0.00 0.00 0.00 54.91 54.07 3ih9 h ALA 316 Cb 0.04 -0.03 -0.19 0.00 0.00 0.00 0.00 17.79 17.61 3ih9 h ALA 316 CO 0.00 0.20 0.11 0.08 0.00 0.00 0.00 179.25 179.64 3ih9 s VAL 317 N -3.92 4.81 0.16 0.00 1.01 -0.34 -0.23 120.40 121.90 3ih9 s VAL 317 Ca -0.01 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 3ih9 s VAL 317 Cb 0.12 -4.45 0.05 0.00 0.00 0.00 0.00 36.38 32.10 3ih9 s VAL 317 CO 0.60 -1.06 1.67 -0.09 0.00 0.00 0.00 175.10 176.22 3ih9 h ARG 318 N 9.15 0.90 -1.38 2.72 2.43 -0.80 -3.04 114.38 124.36 3ih9 h ARG 318 Ca -0.29 -0.22 0.32 0.00 -0.81 0.00 0.00 59.98 58.99 3ih9 h ARG 318 Cb 1.09 -0.12 -0.14 0.00 -0.42 0.00 0.00 29.97 30.38 3ih9 h ARG 318 CO 1.07 0.84 0.85 -0.59 -1.51 0.00 0.00 179.97 180.63 3ih9 s PHE 319 N -5.30 -0.05 -0.16 2.20 -0.71 -1.21 -4.74 117.98 108.02 3ih9 s PHE 319 Ca -0.13 -0.03 -0.02 0.00 -1.04 0.00 0.00 56.93 55.72 3ih9 s PHE 319 Cb 0.12 0.53 0.05 0.00 -1.21 0.00 0.00 43.02 42.52 3ih9 s PHE 319 CO 0.81 -0.22 0.01 0.08 -1.34 0.00 0.00 175.22 174.56 3ih9 s VAL 320 N -2.36 0.61 -0.21 -2.49 1.01 -1.26 -2.55 120.40 113.15 3ih9 s VAL 320 Ca 0.13 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 3ih9 s VAL 320 Cb 0.04 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 3ih9 s VAL 320 CO -0.04 -0.04 0.02 -1.61 0.00 0.00 0.00 175.10 173.43 3ih9 s GLU 321 N 1.84 3.67 -0.98 2.72 0.41 0.24 -4.86 118.70 121.74 3ih9 s GLU 321 Ca 0.01 -0.49 -0.03 0.00 -0.41 0.00 0.00 54.97 54.05 3ih9 s GLU 321 Cb -0.16 -3.14 0.27 0.00 -1.78 0.00 0.00 34.13 29.32 3ih9 s GLU 321 CO -0.07 0.01 1.11 -2.13 -0.49 0.00 0.00 175.26 173.69 3ih9 n ARG 322 N 4.28 3.51 -0.30 1.61 3.00 -1.26 0.11 116.66 127.61 3ih9 n ARG 322 Ca -0.17 -4.53 0.05 0.00 -0.00 0.00 0.00 57.85 53.20 3ih9 n ARG 322 Cb 0.52 -2.46 0.25 0.00 0.00 0.00 0.00 32.46 30.77 3ih9 n ARG 322 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3ih9 h GLU 323 N 5.68 0.96 0.00 -0.14 4.57 -1.87 -3.47 114.58 120.31 3ih9 h GLU 323 Ca 0.19 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3ih9 h GLU 323 Cb 0.73 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 3ih9 h GLU 323 CO 1.07 0.64 0.00 0.41 -1.18 0.00 0.00 179.01 179.94 3ih9 n GLY 324 N -1.40 -2.16 0.09 1.92 0.00 -1.26 -4.93 105.19 97.46 3ih9 n GLY 324 Ca 0.14 0.76 -0.08 0.00 0.00 0.00 0.00 46.02 46.84 3ih9 n GLY 324 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ih9 n ASP 325 N -0.17 0.20 -4.91 1.61 4.64 -1.26 -4.91 116.55 111.75 3ih9 n ASP 325 Ca 0.00 0.10 -0.32 0.00 -1.38 0.00 0.00 54.79 53.18 3ih9 n ASP 325 Cb 0.00 0.80 -0.04 0.00 -1.04 0.00 0.00 41.12 40.84 3ih9 n ASP 325 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3ih9 s ARG 326 N -2.57 3.44 -0.08 -0.67 1.70 -1.26 -2.97 118.95 116.54 3ih9 s ARG 326 Ca -0.09 -0.36 0.03 0.00 -0.47 0.00 0.00 55.73 54.84 3ih9 s ARG 326 Cb 0.07 -3.08 -0.02 0.00 -0.57 0.00 0.00 34.95 31.35 3ih9 s ARG 326 CO 0.83 0.65 -0.15 0.08 -1.08 0.00 0.00 175.30 175.63 3ih9 s VAL 327 N -1.39 2.97 -0.22 4.99 1.01 -0.45 -2.44 120.40 124.87 3ih9 s VAL 327 Ca 0.30 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 3ih9 s VAL 327 Cb -0.13 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 3ih9 s VAL 327 CO 0.22 0.57 0.00 -0.36 0.00 0.00 0.00 175.10 175.53 3ih9 s PHE 328 N -0.33 3.02 -0.29 5.22 0.40 0.30 -1.23 117.98 125.07 3ih9 s PHE 328 Ca 0.03 -0.61 0.03 0.00 -0.60 0.00 0.00 56.93 55.77 3ih9 s PHE 328 Cb -0.13 -2.13 0.07 0.00 0.51 0.00 0.00 43.02 41.35 3ih9 s PHE 328 CO 0.02 -0.37 -0.04 -1.17 0.70 0.00 0.00 175.22 174.36 3ih9 s LEU 329 N 1.30 3.94 -0.15 -0.37 0.20 -0.17 -0.59 118.68 122.84 3ih9 s LEU 329 Ca 0.04 -1.63 -0.08 0.00 0.69 0.00 0.00 54.13 53.15 3ih9 s LEU 329 Cb -0.15 -1.60 -0.04 0.00 -0.43 0.00 0.00 46.19 43.97 3ih9 s LEU 329 CO 0.01 -0.26 0.14 -1.00 -0.29 0.00 0.00 176.35 174.94 3ih9 s HIS 330 N 1.06 3.53 0.36 5.38 3.76 -1.06 -1.90 115.29 126.42 3ih9 s HIS 330 Ca -0.02 0.46 0.08 0.00 -0.15 0.00 0.00 55.06 55.43 3ih9 s HIS 330 Cb -0.20 -2.03 -0.04 0.00 1.11 0.00 0.00 32.58 31.42 3ih9 s HIS 330 CO -0.05 0.56 0.16 -0.51 -0.85 0.00 0.00 174.74 174.05 3ih9 s LEU 331 N -0.48 3.25 0.16 0.89 1.43 -0.71 -0.27 118.68 122.95 3ih9 s LEU 331 Ca 0.12 -0.82 -0.24 0.00 -1.03 0.00 0.00 54.13 52.16 3ih9 s LEU 331 Cb -0.12 -1.71 0.06 0.00 0.03 0.00 0.00 46.19 44.45 3ih9 s LEU 331 CO 0.02 -0.36 0.86 0.00 0.23 0.00 0.00 176.35 177.10 3ih9 s GLN 332 N -3.87 1.28 1.30 1.70 -2.07 0.68 -3.53 119.66 115.14 3ih9 s GLN 332 Ca 0.39 -0.66 0.00 0.00 -1.82 0.00 0.00 55.36 53.26 3ih9 s GLN 332 Cb -0.02 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.37 3ih9 s GLN 332 CO 0.23 -0.58 0.00 0.41 -1.32 0.00 0.00 175.29 174.03 3ih9 n GLY 333 N -0.43 -1.82 3.36 2.60 0.00 -1.20 -4.41 105.19 103.29 3ih9 n GLY 333 Ca -0.07 -1.45 -0.46 0.00 0.00 0.00 0.00 46.02 44.04 3ih9 n GLY 333 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ih9 s VAL 334 N 0.00 5.14 -0.29 1.61 1.01 -1.26 -1.84 120.40 124.77 3ih9 s VAL 334 Ca 0.00 -1.63 -0.29 0.00 0.00 0.00 0.00 61.98 60.06 3ih9 s VAL 334 Cb 0.00 -4.49 -0.00 0.00 0.00 0.00 0.00 36.38 31.89 3ih9 s VAL 334 CO 0.00 -1.09 1.34 -0.63 0.00 0.00 0.00 175.10 174.72 3ih9 s ILE 335 N 1.67 4.08 0.00 2.22 -1.09 -0.76 -4.84 121.20 122.49 3ih9 s ILE 335 Ca 0.14 1.22 0.00 0.00 -2.23 0.00 0.00 60.65 59.78 3ih9 s ILE 335 Cb -0.19 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.59 3ih9 s ILE 335 CO -0.01 -0.46 0.00 0.54 -1.23 0.00 0.00 174.94 173.78 3ih9 n ARG 336 N 7.37 1.92 -0.12 2.79 1.74 -1.26 -2.59 116.66 126.51 3ih9 n ARG 336 Ca 0.15 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.18 3ih9 n ARG 336 Cb 0.46 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.92 3ih9 n ARG 336 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3ih9 h PHE 337 N 0.00 -0.44 -0.26 -1.55 3.57 -1.94 0.25 116.94 116.57 3ih9 h PHE 337 Ca 0.00 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.61 3ih9 h PHE 337 Cb 0.00 0.26 -0.08 0.00 2.79 0.00 0.00 35.95 38.92 3ih9 h PHE 337 CO 0.00 -0.26 -0.31 0.78 -2.23 0.00 0.00 178.31 176.29 3ih9 h GLY 338 N -0.10 -0.31 0.93 2.40 0.00 -1.96 0.28 103.07 104.31 3ih9 h GLY 338 Ca 0.20 0.39 -0.10 0.00 0.00 0.00 0.00 47.33 47.81 3ih9 h GLY 338 CO -0.47 -0.21 -0.24 -1.33 0.00 0.00 0.00 176.54 174.29 3ih9 h GLY 339 N -0.31 0.70 0.66 4.60 0.00 -1.64 -2.80 103.07 104.27 3ih9 h GLY 339 Ca 0.13 -0.70 0.05 0.00 0.00 0.00 0.00 47.33 46.82 3ih9 h GLY 339 CO -0.43 0.63 0.25 0.00 0.00 0.00 0.00 176.54 176.98 3ih9 h ALA 340 N 0.71 0.67 -0.45 3.60 0.00 -0.19 -0.43 119.26 123.17 3ih9 h ALA 340 Ca 0.05 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3ih9 h ALA 340 Cb 0.79 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3ih9 h ALA 340 CO 0.06 -0.11 0.19 1.49 0.00 0.00 0.00 179.25 180.88 3ih9 h GLU 341 N 0.48 0.37 -0.68 0.00 4.22 -0.44 -0.21 114.58 118.32 3ih9 h GLU 341 Ca 0.24 -0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.61 3ih9 h GLU 341 Cb 0.18 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3ih9 h GLU 341 CO -0.19 0.24 0.26 0.00 -2.18 0.00 0.00 179.01 177.15 3ih9 h ALA 342 N 1.27 1.17 0.29 2.92 0.00 -1.12 -1.91 119.26 121.87 3ih9 h ALA 342 Ca 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ih9 h ALA 342 Cb 0.16 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3ih9 h ALA 342 CO -0.18 0.59 -0.14 0.28 0.00 0.00 0.00 179.25 179.81 3ih9 h VAL 343 N 0.99 0.72 -0.44 0.00 2.07 -0.25 -1.22 116.25 118.13 3ih9 h VAL 343 Ca 0.23 -0.03 0.13 0.00 0.82 0.00 0.00 66.70 67.84 3ih9 h VAL 343 Cb 0.21 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3ih9 h VAL 343 CO -0.02 0.01 0.35 -0.07 0.02 0.00 0.00 177.57 177.86 3ih9 h LEU 344 N -0.41 0.00 -0.10 2.57 3.38 -0.72 0.59 115.31 120.62 3ih9 h LEU 344 Ca -0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 3ih9 h LEU 344 Cb 0.31 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.07 3ih9 h LEU 344 CO 0.07 0.00 -0.68 0.44 0.09 0.00 0.00 178.44 178.35 3ih9 h ASP 345 N 0.00 0.78 -0.14 -0.43 3.45 -0.65 -2.40 116.42 117.03 3ih9 h ASP 345 Ca 0.21 -0.66 -0.00 0.00 0.43 0.00 0.00 57.03 57.01 3ih9 h ASP 345 Cb 0.90 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.43 3ih9 h ASP 345 CO -0.00 1.32 0.09 0.00 -1.57 0.00 0.00 179.24 179.07 3ih9 h ALA 346 N 0.48 0.18 -0.55 3.45 0.00 0.25 -0.15 119.26 122.91 3ih9 h ALA 346 Ca -0.06 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ih9 h ALA 346 Cb 1.33 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 3ih9 h ALA 346 CO 0.14 -0.32 0.30 -0.07 0.00 0.00 0.00 179.25 179.30 3ih9 h LEU 347 N 0.17 0.46 -1.43 0.00 3.38 -1.31 -1.15 115.31 115.42 3ih9 h LEU 347 Ca 0.05 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3ih9 h LEU 347 Cb 0.01 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3ih9 h LEU 347 CO -0.01 0.31 -0.10 0.74 0.09 0.00 0.00 178.44 179.47 3ih9 h THR 348 N 0.58 0.29 0.00 0.22 2.02 -1.19 -2.65 112.91 112.18 3ih9 h THR 348 Ca 0.24 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3ih9 h THR 348 Cb 0.11 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 3ih9 h THR 348 CO -0.15 0.10 0.00 0.47 0.37 0.00 0.00 175.52 176.32 3ih9 n ASP 349 N -3.27 0.00 -4.67 4.18 10.43 -0.09 -4.70 116.55 118.43 3ih9 n ASP 349 Ca -0.00 -1.81 -0.33 0.00 2.57 0.00 0.00 54.79 55.22 3ih9 n ASP 349 Cb 0.34 0.00 -0.09 0.00 1.84 0.00 0.00 41.12 43.21 3ih9 n ASP 349 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3ih9 s LEU 350 N -1.12 3.49 -0.94 0.64 1.43 -1.00 -3.46 118.68 117.72 3ih9 s LEU 350 Ca 0.05 0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 52.98 3ih9 s LEU 350 Cb 0.02 -1.92 0.09 0.00 0.03 0.00 0.00 46.19 44.41 3ih9 s LEU 350 CO 0.04 0.32 1.26 -0.13 0.23 0.00 0.00 176.35 178.07 3ih9 s ARG 351 N -1.28 3.55 -0.23 1.70 1.81 -1.26 -4.70 118.95 118.54 3ih9 s ARG 351 Ca 0.17 -1.39 0.12 0.00 -1.72 0.00 0.00 55.73 52.91 3ih9 s ARG 351 Cb -0.11 -5.04 0.45 0.00 -0.45 0.00 0.00 34.95 29.80 3ih9 s ARG 351 CO 0.07 -1.97 1.33 0.25 -0.68 0.00 0.00 175.30 174.30 3ih9 n THR 352 N 6.14 2.32 -3.75 0.02 -2.24 -1.26 -4.76 114.28 110.74 3ih9 n THR 352 Ca 0.25 -2.78 0.02 0.00 -2.27 0.00 0.00 64.05 59.27 3ih9 n THR 352 Cb 0.50 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 3ih9 n THR 352 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3ih9 s GLY 353 N -2.78 -0.29 -0.40 3.38 0.00 -1.26 -4.72 107.32 101.25 3ih9 s GLY 353 Ca 0.40 0.42 -0.27 0.00 0.00 0.00 0.00 44.72 45.27 3ih9 s GLY 353 CO -0.01 1.90 2.35 0.00 0.00 0.00 0.00 173.10 177.34 3ih9 n ALA 354 N -0.63 1.15 -1.84 3.20 0.00 -1.26 -4.79 120.51 116.34 3ih9 n ALA 354 Ca -0.05 -0.62 -0.21 0.00 0.00 0.00 0.00 53.44 52.56 3ih9 n ALA 354 Cb 0.61 -3.04 -0.08 0.00 0.00 0.00 0.00 19.45 16.94 3ih9 n ALA 354 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3ih9 s GLU 355 N 7.51 1.95 -0.47 0.00 -1.05 -1.26 -4.69 118.70 120.68 3ih9 s GLU 355 Ca 1.01 -0.53 0.05 0.00 -0.15 0.00 0.00 54.97 55.35 3ih9 s GLU 355 Cb -0.31 -5.06 0.41 0.00 -0.44 0.00 0.00 34.13 28.73 3ih9 s GLU 355 CO 0.31 -4.44 1.09 0.36 0.95 0.00 0.00 175.26 173.53 3ih9 n LYS 356 N 8.43 3.40 -1.39 -4.83 -0.00 -1.26 -5.09 118.16 117.42 3ih9 n LYS 356 Ca 0.43 -4.57 -0.36 0.00 -0.00 0.00 0.00 58.31 53.82 3ih9 n LYS 356 Cb 0.46 -2.25 0.09 0.00 -0.00 0.00 0.00 35.03 33.33 3ih9 n LYS 356 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 3ih9 n PRO 357 N -0.44 0.57 -3.32 -1.58 -0.04 -1.26 -4.96 135.00 123.97 3ih9 n PRO 357 Ca 0.38 0.25 -0.47 0.00 -0.04 0.00 0.00 63.50 63.62 3ih9 n PRO 357 Cb 0.61 -2.28 -0.03 0.00 -0.04 0.00 0.00 33.50 31.76 3ih9 n PRO 357 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3ih9 s GLY 358 N -1.63 2.49 0.66 0.55 0.00 -1.26 -4.91 107.32 103.23 3ih9 s GLY 358 Ca 0.75 -3.09 0.01 0.00 0.00 0.00 0.00 44.72 42.38 3ih9 s GLY 358 CO 0.49 1.25 1.02 -0.84 0.00 0.00 0.00 173.10 175.02 3ih9 h THR 359 N 5.10 0.00 0.00 0.90 2.02 -2.04 -3.43 112.91 115.46 3ih9 h THR 359 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3ih9 h THR 359 Cb 1.06 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 3ih9 h THR 359 CO 0.84 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.34 3ih9 n GLY 360 N -1.50 1.52 3.32 2.16 0.00 -1.26 -4.90 105.19 104.53 3ih9 n GLY 360 Ca 0.00 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 3ih9 n GLY 360 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3ih9 s TRP 361 N -0.19 1.74 -0.33 1.61 1.48 -1.26 -5.11 118.94 116.87 3ih9 s TRP 361 Ca 0.00 -0.50 -0.25 0.00 -1.06 0.00 0.00 56.10 54.29 3ih9 s TRP 361 Cb 0.00 -0.86 0.01 0.00 -1.16 0.00 0.00 33.47 31.46 3ih9 s TRP 361 CO 0.00 0.31 0.86 0.34 -4.06 0.00 0.00 176.95 174.40 3ih9 s ASP 362 N -2.79 6.69 0.38 -2.66 -1.08 -1.26 -4.93 116.67 111.02 3ih9 s ASP 362 Ca 0.16 0.66 0.10 0.00 -0.52 0.00 0.00 52.55 52.96 3ih9 s ASP 362 Cb -0.04 -2.44 0.87 0.00 -1.46 0.00 0.00 42.92 39.85 3ih9 s ASP 362 CO 0.06 -0.72 1.90 0.00 0.52 0.00 0.00 175.17 176.93 3ih9 h ALA 363 N 8.24 1.89 -0.66 3.66 0.00 -1.99 -0.73 119.26 129.67 3ih9 h ALA 363 Ca -0.24 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3ih9 h ALA 363 Cb 1.09 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3ih9 h ALA 363 CO 0.93 -0.09 0.27 0.00 0.00 0.00 0.00 179.25 180.36 3ih9 h ALA 364 N 1.61 0.86 -0.01 0.00 0.00 -1.99 -2.97 119.26 116.76 3ih9 h ALA 364 Ca 0.39 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.95 3ih9 h ALA 364 Cb 0.66 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3ih9 h ALA 364 CO -0.16 0.47 -0.81 0.28 0.00 0.00 0.00 179.25 179.03 3ih9 h VAL 365 N 0.93 1.47 -2.53 0.00 2.07 -1.64 -3.37 116.25 113.18 3ih9 h VAL 365 Ca 0.22 -2.47 -0.62 0.00 0.82 0.00 0.00 66.70 64.65 3ih9 h VAL 365 Cb 0.19 2.35 -0.41 0.00 -1.52 0.00 0.00 31.29 31.91 3ih9 h VAL 365 CO -0.02 0.72 -0.48 -1.22 0.02 0.00 0.00 177.57 176.59 3ih9 n TYR 366 N -3.71 3.52 -0.29 1.57 4.02 -0.40 -4.92 117.16 116.94 3ih9 n TYR 366 Ca -0.03 -4.11 0.06 0.00 -0.01 0.00 0.00 57.90 53.80 3ih9 n TYR 366 Cb 0.76 -0.65 0.27 0.00 -0.02 0.00 0.00 39.34 39.70 3ih9 n TYR 366 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3ih9 h PRO 367 N 4.67 0.93 -0.63 -0.72 0.13 -1.72 -2.13 132.00 132.53 3ih9 h PRO 367 Ca 0.18 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 65.20 3ih9 h PRO 367 Cb 0.69 -0.21 -0.03 0.00 0.13 0.00 0.00 31.00 31.58 3ih9 h PRO 367 CO 0.84 0.61 0.14 0.00 -0.23 0.00 0.00 178.00 179.36 3ih9 h ARG 368 N 0.95 0.99 -0.54 0.86 3.08 -1.91 -1.55 114.38 116.27 3ih9 h ARG 368 Ca 0.40 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 3ih9 h ARG 368 Cb 0.31 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3ih9 h ARG 368 CO -0.17 0.88 0.22 -1.49 -1.07 0.00 0.00 179.97 178.35 3ih9 h TRP 369 N 0.94 0.77 -0.03 3.04 4.06 -1.77 -0.92 115.95 122.03 3ih9 h TRP 369 Ca 0.20 -0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.11 3ih9 h TRP 369 Cb 0.35 -0.24 -0.00 0.00 -1.00 0.00 0.00 29.16 28.27 3ih9 h TRP 369 CO 0.02 0.59 -0.01 1.96 -3.56 0.00 0.00 178.44 177.44 3ih9 h GLN 370 N 0.76 0.06 -0.03 0.49 1.08 -1.20 -0.69 115.11 115.59 3ih9 h GLN 370 Ca 0.19 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.39 3ih9 h GLN 370 Cb 0.14 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.52 3ih9 h GLN 370 CO -0.02 0.44 -0.26 0.93 -0.95 0.00 0.00 178.83 178.97 3ih9 h GLU 371 N -0.32 -0.37 -0.43 1.46 5.08 -0.99 0.10 114.58 119.10 3ih9 h GLU 371 Ca 0.01 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3ih9 h GLU 371 Cb 0.42 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3ih9 h GLU 371 CO 0.00 -0.25 0.26 0.00 -1.00 0.00 0.00 179.01 178.03 3ih9 h ALA 372 N 0.45 1.66 -0.13 3.43 0.00 -1.19 -1.51 119.26 121.98 3ih9 h ALA 372 Ca 0.07 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3ih9 h ALA 372 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3ih9 h ALA 372 CO -0.25 0.30 -0.36 0.00 0.00 0.00 0.00 179.25 178.95 3ih9 h ALA 373 N 1.71 1.17 -0.14 0.00 0.00 -0.03 -3.16 119.26 118.80 3ih9 h ALA 373 Ca 0.15 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.74 3ih9 h ALA 373 Cb -0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3ih9 h ALA 373 CO -0.03 0.55 -0.20 0.00 0.00 0.00 0.00 179.25 179.57 3ih9 h ALA 374 N 1.41 -0.14 -0.32 0.00 0.00 0.08 -2.84 119.26 117.45 3ih9 h ALA 374 Ca 0.03 0.05 -0.71 0.00 0.00 0.00 0.00 54.91 54.27 3ih9 h ALA 374 Cb 0.74 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 3ih9 h ALA 374 CO 0.06 -0.65 3.04 -3.47 0.00 0.00 0.00 179.25 178.22 3ih9 n ASP 375 N -5.34 7.13 -0.27 0.00 -0.08 -1.19 -4.81 116.55 111.99 3ih9 n ASP 375 Ca -0.03 -2.87 0.16 0.00 -1.51 0.00 0.00 54.79 50.55 3ih9 n ASP 375 Cb 0.25 -1.51 0.31 0.00 2.34 0.00 0.00 41.12 42.52 3ih9 n ASP 375 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 3ih9 n ARG 376 N 3.54 -0.06 -0.05 -0.67 0.63 -1.07 -0.62 116.66 118.35 3ih9 n ARG 376 Ca 0.63 1.16 -0.16 0.00 -0.92 0.00 0.00 57.85 58.56 3ih9 n ARG 376 Cb 0.28 -1.92 -0.05 0.00 0.45 0.00 0.00 32.46 31.22 3ih9 n ARG 376 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ih9 h ALA 377 N 1.59 0.40 -0.03 5.13 0.00 -1.90 -2.69 119.26 121.75 3ih9 h ALA 377 Ca 0.55 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ih9 h ALA 377 Cb 1.26 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3ih9 h ALA 377 CO -0.70 0.68 0.01 0.00 0.00 0.00 0.00 179.25 179.24 3ih9 h ALA 378 N 0.63 0.04 -0.98 0.00 0.00 -1.23 -2.42 119.26 115.30 3ih9 h ALA 378 Ca -0.02 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.88 3ih9 h ALA 378 Cb 1.27 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 3ih9 h ALA 378 CO 0.14 -0.33 0.62 1.25 0.00 0.00 0.00 179.25 180.93 3ih9 h LEU 379 N -0.18 0.90 -0.43 0.00 7.12 -1.46 -1.51 115.31 119.75 3ih9 h LEU 379 Ca 0.01 0.04 -0.05 0.00 0.13 0.00 0.00 57.88 58.01 3ih9 h LEU 379 Cb 0.25 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.21 3ih9 h LEU 379 CO 0.00 0.50 0.08 -1.28 -0.13 0.00 0.00 178.44 177.61 3ih9 h SER 380 N 0.98 0.67 0.52 1.25 0.87 -1.28 -2.78 113.55 113.78 3ih9 h SER 380 Ca 0.47 -0.25 -0.10 0.00 -1.23 0.00 0.00 61.79 60.68 3ih9 h SER 380 Cb 0.45 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 3ih9 h SER 380 CO -0.23 0.75 -0.48 0.00 -0.53 0.00 0.00 176.83 176.34 3ih9 h ALA 381 N 0.94 1.17 -0.21 6.23 0.00 -0.87 0.91 119.26 127.44 3ih9 h ALA 381 Ca 0.13 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 3ih9 h ALA 381 Cb 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3ih9 h ALA 381 CO 0.01 0.60 -0.52 0.00 0.00 0.00 0.00 179.25 179.34 3ih9 h ALA 382 N 1.52 0.70 0.09 0.00 0.00 -1.20 -3.32 119.26 117.05 3ih9 h ALA 382 Ca -0.00 -0.50 -0.34 0.00 0.00 0.00 0.00 54.91 54.07 3ih9 h ALA 382 Cb 0.86 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3ih9 h ALA 382 CO 0.06 0.68 -1.85 0.25 0.00 0.00 0.00 179.25 178.40 3ih9 n THR 383 N -3.98 1.72 0.00 0.00 -2.24 -1.06 -5.04 114.28 103.68 3ih9 n THR 383 Ca -0.03 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 3ih9 n THR 383 Cb 0.59 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.02 3ih9 n THR 383 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ih9 n GLY 384 N 1.86 0.62 2.14 3.38 0.00 0.25 -5.08 105.19 108.36 3ih9 n GLY 384 Ca -0.33 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 44.68 3ih9 n GLY 384 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ih9 n GLY 385 N 0.00 4.33 5.60 -0.02 0.00 0.23 -3.69 105.19 111.64 3ih9 n GLY 385 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3ih9 n GLY 385 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ih9 n GLY 386 N -1.03 1.83 1.10 -0.02 0.00 -1.26 -1.96 105.19 103.86 3ih9 n GLY 386 Ca 0.56 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.82 3ih9 n GLY 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ih9 n ALA 387 N 6.96 2.66 -0.19 4.61 0.00 -1.15 -4.59 120.51 128.81 3ih9 n ALA 387 Ca 0.00 -1.54 0.10 0.00 0.00 0.00 0.00 53.44 52.00 3ih9 n ALA 387 Cb 0.00 -0.74 0.40 0.00 0.00 0.00 0.00 19.45 19.11 3ih9 n ALA 387 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ih9 h VAL 388 N 2.97 0.92 0.00 0.00 2.07 -1.56 -1.12 116.25 119.54 3ih9 h VAL 388 Ca 0.00 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3ih9 h VAL 388 Cb 1.14 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3ih9 h VAL 388 CO 0.12 0.12 -0.02 1.12 0.02 0.00 0.00 177.57 178.93 3ih9 h HIS 389 N 0.64 0.00 0.00 1.57 -0.00 -1.81 -2.04 115.15 113.51 3ih9 h HIS 389 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.72 3ih9 h HIS 389 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 3ih9 h HIS 389 CO -0.00 0.02 0.00 0.39 -0.00 0.00 0.00 177.93 178.34 3ih9 n GLU 390 N -3.34 0.14 -0.03 5.12 1.02 -0.42 -2.71 120.64 120.42 3ih9 n GLU 390 Ca -0.02 0.44 -0.14 0.00 -0.02 0.00 0.00 57.16 57.42 3ih9 n GLU 390 Cb 0.13 -1.81 -0.11 0.00 -0.02 0.00 0.00 31.44 29.63 3ih9 n GLU 390 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ih9 h ALA 391 N 2.23 0.04 0.00 0.62 0.00 -1.53 -1.86 119.26 118.77 3ih9 h ALA 391 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3ih9 h ALA 391 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ih9 h ALA 391 CO 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 179.25 179.17 3ih9 h ALA 392 N 0.33 1.63 -0.06 0.00 0.00 -1.54 -0.39 119.26 119.22 3ih9 h ALA 392 Ca -0.01 -0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.57 3ih9 h ALA 392 Cb 0.85 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.64 3ih9 h ALA 392 CO 0.03 0.11 -0.94 0.00 0.00 0.00 0.00 179.25 178.45 3ih9 h ALA 393 N 1.92 0.21 -0.68 0.00 0.00 -1.50 -1.19 119.26 118.02 3ih9 h ALA 393 Ca -0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 3ih9 h ALA 393 Cb 0.18 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3ih9 h ALA 393 CO 0.01 0.69 0.12 0.00 0.00 0.00 0.00 179.25 180.07 3ih9 h ALA 394 N 0.48 0.91 -0.15 0.00 0.00 -0.44 -0.46 119.26 119.60 3ih9 h ALA 394 Ca -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3ih9 h ALA 394 Cb 1.58 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3ih9 h ALA 394 CO 0.19 0.67 0.00 0.00 0.00 0.00 0.00 179.25 180.11 3ih9 n ALA 395 N -2.47 2.52 -1.59 0.00 0.00 -0.25 -4.26 120.51 114.47 3ih9 n ALA 395 Ca 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3ih9 n ALA 395 Cb 0.29 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3ih9 n ALA 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ih9 n ALA 396 N -0.01 0.00 -0.28 0.00 0.00 -0.18 -4.54 120.51 115.49 3ih9 n ALA 396 Ca 0.05 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.83 3ih9 n ALA 396 Cb 0.18 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.31 3ih9 n ALA 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ih9 h ARG 397 N 0.00 0.00 0.00 0.00 2.47 -1.86 0.41 114.38 115.40 3ih9 h ARG 397 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3ih9 h ARG 397 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3ih9 h ARG 397 CO 0.00 0.00 -0.03 -0.44 0.56 0.00 0.00 179.97 180.06 3ih9 h ASP 398 N 0.00 0.00 1.51 7.04 3.32 -1.78 -2.45 116.42 124.06 3ih9 h ASP 398 Ca 0.54 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.54 3ih9 h ASP 398 Cb 2.47 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 42.01 3ih9 h ASP 398 CO -0.01 0.03 -0.50 -0.33 -1.72 0.00 0.00 179.24 176.71 3ih9 h GLU 399 N 0.00 0.00 -0.34 3.56 4.39 -0.35 -3.03 114.58 118.80 3ih9 h GLU 399 Ca -0.00 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.80 3ih9 h GLU 399 Cb 0.49 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 3ih9 h GLU 399 CO 0.00 0.17 0.40 -0.97 -1.16 0.00 0.00 179.01 177.45 3ih9 h ASN 400 N 0.00 0.00 -2.87 1.42 -0.73 -1.45 -3.29 115.58 108.66 3ih9 h ASN 400 Ca -0.02 0.00 -0.60 0.00 1.87 0.00 0.00 56.30 57.55 3ih9 h ASN 400 Cb 1.17 0.00 -0.39 0.00 0.27 0.00 0.00 38.32 39.37 3ih9 h ASN 400 CO 0.02 0.00 -0.82 1.51 -0.37 0.00 0.00 177.43 177.77 3ih9 s ASP 401 N -5.31 2.93 0.00 1.15 3.84 -1.15 -5.09 116.67 113.05 3ih9 s ASP 401 Ca -0.04 -2.80 0.00 0.00 -0.00 0.00 0.00 52.55 49.71 3ih9 s ASP 401 Cb 0.15 -0.76 0.00 0.00 -1.38 0.00 0.00 42.92 40.93 3ih9 s ASP 401 CO 0.53 -0.23 0.00 0.61 -0.00 0.00 0.00 175.17 176.08 3ih9 n GLY 402 N 3.26 2.65 0.00 2.12 0.00 -1.24 -5.01 105.19 106.98 3ih9 n GLY 402 Ca 0.17 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3ih9 n GLY 402 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ih9 n PRO 403 N 1.43 0.36 -3.97 1.61 -0.04 -1.26 -4.38 135.00 128.75 3ih9 n PRO 403 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 3ih9 n PRO 403 Cb 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.32 3ih9 n PRO 403 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3ih9 s ILE 404 N -0.38 2.63 -0.14 0.52 1.01 -1.26 -4.72 121.20 118.86 3ih9 s ILE 404 Ca 0.00 -1.61 0.18 0.00 0.00 0.00 0.00 60.65 59.22 3ih9 s ILE 404 Cb 0.00 -2.58 -0.25 0.00 0.01 0.00 0.00 42.46 39.64 3ih9 s ILE 404 CO 0.00 -0.16 0.31 0.54 0.00 0.00 0.00 174.94 175.63 3ih9 n ARG 405 N 4.51 0.67 -4.23 2.79 1.74 -1.16 -4.78 116.66 116.20 3ih9 n ARG 405 Ca -0.11 0.03 -0.17 0.00 -0.77 0.00 0.00 57.85 56.83 3ih9 n ARG 405 Cb 0.43 -1.59 -0.14 0.00 -1.02 0.00 0.00 32.46 30.13 3ih9 n ARG 405 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3ih9 s THR 406 N -2.74 0.58 -0.10 0.55 2.01 -1.25 0.13 115.64 114.82 3ih9 s THR 406 Ca -0.08 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.49 3ih9 s THR 406 Cb 0.08 -0.51 0.02 0.00 0.01 0.00 0.00 72.50 72.11 3ih9 s THR 406 CO 0.84 0.08 -0.08 -0.69 -0.69 0.00 0.00 174.62 174.09 3ih9 s VAL 407 N -0.34 0.96 -0.25 3.82 1.01 0.11 -1.34 120.40 124.37 3ih9 s VAL 407 Ca 0.01 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 3ih9 s VAL 407 Cb -0.04 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 3ih9 s VAL 407 CO -0.00 0.35 0.10 -0.69 0.00 0.00 0.00 175.10 174.86 3ih9 s VAL 408 N 1.50 4.59 -0.45 2.92 1.01 -0.36 -1.44 120.40 128.17 3ih9 s VAL 408 Ca 0.01 -0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.75 3ih9 s VAL 408 Cb -0.13 -3.15 0.05 0.00 0.00 0.00 0.00 36.38 33.14 3ih9 s VAL 408 CO -0.05 0.33 0.41 -0.76 0.00 0.00 0.00 175.10 175.02 3ih9 s LEU 409 N 1.56 5.29 -0.25 3.92 1.43 0.95 -1.00 118.68 130.58 3ih9 s LEU 409 Ca 0.06 -1.06 -0.10 0.00 -1.03 0.00 0.00 54.13 51.99 3ih9 s LEU 409 Cb -0.15 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.78 3ih9 s LEU 409 CO 0.05 -0.62 0.16 0.21 0.23 0.00 0.00 176.35 176.39 3ih9 s ASN 410 N 2.25 6.04 0.00 2.29 3.84 -0.80 0.14 114.94 128.70 3ih9 s ASN 410 Ca 0.07 0.06 0.11 0.00 0.21 0.00 0.00 52.86 53.31 3ih9 s ASN 410 Cb -0.21 -2.10 0.22 0.00 -0.55 0.00 0.00 41.25 38.60 3ih9 s ASN 410 CO 0.09 0.03 1.09 0.18 -2.79 0.00 0.00 177.10 175.70 3ih9 n LEU 411 N 4.54 2.51 -0.33 3.21 4.77 -0.53 -1.74 117.00 129.43 3ih9 n LEU 411 Ca -0.15 -1.57 0.17 0.00 -0.03 0.00 0.00 56.01 54.43 3ih9 n LEU 411 Cb 0.52 -0.13 0.37 0.00 -2.33 0.00 0.00 43.42 41.85 3ih9 n LEU 411 CO 0.34 0.58 1.13 0.00 -1.33 0.00 0.00 177.39 178.11 3ih9 h ALA 412 N 2.12 1.72 -0.00 -1.18 0.00 -1.85 0.46 119.26 120.53 3ih9 h ALA 412 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ih9 h ALA 412 Cb 0.62 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3ih9 h ALA 412 CO 0.00 -0.31 -0.11 0.54 0.00 0.00 0.00 179.25 179.37 3ih9 n ARG 413 N -4.94 0.74 -2.82 0.00 5.12 -1.26 -4.83 116.66 108.69 3ih9 n ARG 413 Ca 0.26 -0.27 -0.42 0.00 -1.93 0.00 0.00 57.85 55.49 3ih9 n ARG 413 Cb 0.74 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.51 3ih9 n ARG 413 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3ih9 s VAL 414 N -2.44 4.86 0.01 1.55 1.01 0.15 -3.24 120.40 122.29 3ih9 s VAL 414 Ca 0.29 1.80 -0.23 0.00 0.00 0.00 0.00 61.98 63.85 3ih9 s VAL 414 Cb 0.20 -4.21 -0.18 0.00 0.00 0.00 0.00 36.38 32.20 3ih9 s VAL 414 CO 0.47 0.05 1.27 0.44 0.00 0.00 0.00 175.10 177.32 3ih9 h ASP 415 N 7.15 0.24 -4.56 3.32 3.32 -1.66 -3.46 116.42 120.78 3ih9 h ASP 415 Ca -0.32 -0.53 0.19 0.00 0.02 0.00 0.00 57.03 56.39 3ih9 h ASP 415 Cb 1.15 -0.07 -0.16 0.00 0.22 0.00 0.00 39.33 40.47 3ih9 h ASP 415 CO 0.83 0.73 0.66 0.00 -1.72 0.00 0.00 179.24 179.74 3ih9 s ARG 416 N -4.09 0.58 -0.01 3.56 1.70 -1.24 -5.05 118.95 114.41 3ih9 s ARG 416 Ca -0.15 -0.23 0.00 0.00 -0.47 0.00 0.00 55.73 54.88 3ih9 s ARG 416 Cb 0.03 0.26 0.02 0.00 -0.57 0.00 0.00 34.95 34.69 3ih9 s ARG 416 CO 0.73 -0.26 0.01 -1.50 -1.08 0.00 0.00 175.30 173.21 3ih9 s ILE 417 N -2.77 -0.01 0.91 4.99 2.07 -1.26 -1.82 121.20 123.30 3ih9 s ILE 417 Ca 0.08 0.11 -0.15 0.00 -1.41 0.00 0.00 60.65 59.29 3ih9 s ILE 417 Cb -0.01 -0.07 0.16 0.00 0.13 0.00 0.00 42.46 42.67 3ih9 s ILE 417 CO -0.06 0.06 1.27 1.51 -1.91 0.00 0.00 174.94 175.80 3ih9 s ASP 418 N 0.61 3.60 0.11 4.50 -4.77 -1.07 -4.79 116.67 114.86 3ih9 s ASP 418 Ca -0.05 0.46 -0.22 0.00 -3.30 0.00 0.00 52.55 49.44 3ih9 s ASP 418 Cb -0.08 -0.67 -0.10 0.00 -1.09 0.00 0.00 42.92 40.99 3ih9 s ASP 418 CO -0.02 -2.45 1.74 0.44 0.70 0.00 0.00 175.17 175.58 3ih9 h ASP 419 N -1.44 0.00 -0.62 2.11 3.32 -1.98 -0.06 116.42 117.76 3ih9 h ASP 419 Ca -0.45 0.01 0.13 0.00 0.02 0.00 0.00 57.03 56.74 3ih9 h ASP 419 Cb 1.27 0.02 -0.10 0.00 0.22 0.00 0.00 39.33 40.74 3ih9 h ASP 419 CO 0.48 0.02 0.06 0.58 -1.72 0.00 0.00 179.24 178.66 3ih9 h VAL 420 N 0.05 0.55 -0.54 -1.35 2.07 -1.94 0.26 116.25 115.35 3ih9 h VAL 420 Ca 0.04 -0.06 -0.10 0.00 0.82 0.00 0.00 66.70 67.39 3ih9 h VAL 420 Cb 0.03 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3ih9 h VAL 420 CO -0.05 0.03 -0.07 1.23 0.02 0.00 0.00 177.57 178.73 3ih9 h GLY 421 N 0.18 1.06 1.05 2.17 0.00 -1.72 -1.60 103.07 104.21 3ih9 h GLY 421 Ca 0.33 -0.81 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 3ih9 h GLY 421 CO -0.48 0.75 0.14 -0.09 0.00 0.00 0.00 176.54 176.86 3ih9 h ARG 422 N 0.88 1.08 -0.25 4.80 2.43 0.53 -0.11 114.38 123.73 3ih9 h ARG 422 Ca 0.15 -0.27 -0.17 0.00 -0.81 0.00 0.00 59.98 58.88 3ih9 h ARG 422 Cb 0.62 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3ih9 h ARG 422 CO 0.04 0.97 -0.50 0.00 -1.51 0.00 0.00 179.97 178.97 3ih9 h ARG 423 N 1.00 0.79 -0.00 0.20 3.08 -0.45 -1.25 114.38 117.74 3ih9 h ARG 423 Ca 0.21 -0.51 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 3ih9 h ARG 423 Cb 0.39 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 3ih9 h ARG 423 CO 0.01 1.14 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.97 3ih9 h LEU 424 N 0.54 0.01 -0.67 3.04 3.38 -1.20 -2.00 115.31 118.40 3ih9 h LEU 424 Ca 0.01 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 3ih9 h LEU 424 Cb 1.11 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 3ih9 h LEU 424 CO 0.11 0.33 0.23 0.40 0.09 0.00 0.00 178.44 179.60 3ih9 h ILE 425 N -0.32 1.25 -0.76 1.22 2.04 -1.08 -1.40 117.51 118.45 3ih9 h ILE 425 Ca 0.00 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.05 3ih9 h ILE 425 Cb 0.33 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 3ih9 h ILE 425 CO 0.00 0.32 0.49 0.00 0.00 0.00 0.00 178.15 178.97 3ih9 h ALA 426 N 1.10 0.98 -0.78 1.87 0.00 -1.20 -1.65 119.26 119.58 3ih9 h ALA 426 Ca 0.22 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3ih9 h ALA 426 Cb 0.27 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3ih9 h ALA 426 CO -0.01 0.33 0.29 1.49 0.00 0.00 0.00 179.25 181.35 3ih9 h GLU 427 N 0.99 1.17 -0.46 0.00 4.57 -1.04 -0.80 114.58 119.00 3ih9 h GLU 427 Ca 0.29 -0.23 0.04 0.00 -1.18 0.00 0.00 59.36 58.29 3ih9 h GLU 427 Cb -0.05 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.32 3ih9 h GLU 427 CO -0.09 0.96 0.23 0.78 -1.18 0.00 0.00 179.01 179.72 3ih9 h GLY 428 N 1.15 0.64 0.90 1.92 0.00 -0.39 -0.28 103.07 107.01 3ih9 h GLY 428 Ca 0.26 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 3ih9 h GLY 428 CO -0.02 0.11 0.03 -2.08 0.00 0.00 0.00 176.54 174.58 3ih9 h VAL 429 N 0.46 1.10 -0.92 4.60 2.07 -0.93 -1.05 116.25 121.58 3ih9 h VAL 429 Ca 0.20 -0.28 0.16 0.00 0.82 0.00 0.00 66.70 67.61 3ih9 h VAL 429 Cb 0.11 1.18 -0.10 0.00 -1.52 0.00 0.00 31.29 30.96 3ih9 h VAL 429 CO -0.14 0.08 0.51 -0.09 0.02 0.00 0.00 177.57 177.95 3ih9 h ARG 430 N -0.02 0.68 0.00 1.57 2.43 -0.61 -0.87 114.38 117.55 3ih9 h ARG 430 Ca 0.02 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 3ih9 h ARG 430 Cb 0.10 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3ih9 h ARG 430 CO -0.00 0.45 -0.48 0.00 -1.51 0.00 0.00 179.97 178.43 3ih9 h ARG 431 N 0.70 0.00 0.23 0.20 3.08 -0.75 -2.79 114.38 115.05 3ih9 h ARG 431 Ca 0.51 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.55 3ih9 h ARG 431 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3ih9 h ARG 431 CO -0.37 0.48 -0.11 -0.07 -1.07 0.00 0.00 179.97 178.83 3ih9 h LEU 432 N 0.00 -0.27 -0.81 3.04 3.38 0.15 -3.15 115.31 117.66 3ih9 h LEU 432 Ca -0.00 -0.26 0.18 0.00 0.09 0.00 0.00 57.88 57.89 3ih9 h LEU 432 Cb 1.20 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.90 3ih9 h LEU 432 CO 0.06 0.17 0.29 1.56 0.09 0.00 0.00 178.44 180.61 3ih9 h GLN 433 N -0.78 0.35 0.00 1.13 4.20 -1.38 0.90 115.11 119.53 3ih9 h GLN 433 Ca -0.03 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3ih9 h GLN 433 Cb 0.51 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3ih9 h GLN 433 CO 0.05 0.23 0.05 0.00 -0.67 0.00 0.00 178.83 178.50 3ih9 n ALA 434 N -2.57 0.92 0.33 3.87 0.00 -1.05 0.23 120.51 122.23 3ih9 n ALA 434 Ca 0.17 0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.76 3ih9 n ALA 434 Cb 0.53 -0.98 0.26 0.00 0.00 0.00 0.00 19.45 19.25 3ih9 n ALA 434 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ih9 n ASP 435 N -1.65 2.94 -0.15 0.00 8.00 0.31 -4.90 116.55 121.10 3ih9 n ASP 435 Ca -0.00 -1.97 -0.02 0.00 0.71 0.00 0.00 54.79 53.51 3ih9 n ASP 435 Cb 0.06 -0.33 -0.01 0.00 -0.02 0.00 0.00 41.12 40.82 3ih9 n ASP 435 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ih9 n GLY 436 N 1.39 0.54 3.82 0.44 0.00 0.14 -4.90 105.19 106.61 3ih9 n GLY 436 Ca 0.19 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 3ih9 n GLY 436 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ih9 s VAL 437 N -2.07 5.41 0.18 1.61 1.01 -1.22 -4.92 120.40 120.40 3ih9 s VAL 437 Ca 0.00 0.31 -0.29 0.00 0.00 0.00 0.00 61.98 62.00 3ih9 s VAL 437 Cb 0.00 -3.48 -0.08 0.00 0.00 0.00 0.00 36.38 32.83 3ih9 s VAL 437 CO 0.00 0.54 0.91 -0.60 0.00 0.00 0.00 175.10 175.95 3ih9 s ARG 438 N -0.50 4.74 -0.11 2.72 3.52 0.34 -4.03 118.95 125.64 3ih9 s ARG 438 Ca 0.14 1.40 -0.01 0.00 -0.13 0.00 0.00 55.73 57.13 3ih9 s ARG 438 Cb -0.12 -3.31 0.03 0.00 -1.56 0.00 0.00 34.95 29.98 3ih9 s ARG 438 CO 0.03 0.42 -0.04 0.08 -0.81 0.00 0.00 175.30 174.98 3ih9 s VAL 439 N -0.74 0.78 -0.14 7.11 1.01 -1.26 0.08 120.40 127.23 3ih9 s VAL 439 Ca 0.42 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.23 3ih9 s VAL 439 Cb -0.24 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.26 3ih9 s VAL 439 CO 0.30 0.29 -0.19 -1.83 0.00 0.00 0.00 175.10 173.67 3ih9 s GLU 440 N 1.80 3.13 -0.54 2.72 -1.05 -0.52 -4.98 118.70 119.26 3ih9 s GLU 440 Ca 0.04 -0.80 -0.16 0.00 -0.15 0.00 0.00 54.97 53.90 3ih9 s GLU 440 Cb -0.13 -2.51 0.13 0.00 -0.44 0.00 0.00 34.13 31.18 3ih9 s GLU 440 CO -0.07 0.03 0.50 0.08 0.95 0.00 0.00 175.26 176.75 3ih9 s VAL 441 N 0.74 5.21 -0.46 1.83 1.01 -1.26 -0.03 120.40 127.43 3ih9 s VAL 441 Ca -0.08 -1.50 -0.28 0.00 0.00 0.00 0.00 61.98 60.12 3ih9 s VAL 441 Cb -0.16 -4.34 0.03 0.00 0.00 0.00 0.00 36.38 31.91 3ih9 s VAL 441 CO 0.00 -0.87 1.09 -1.61 0.00 0.00 0.00 175.10 173.71 3ih9 s GLU 442 N 1.61 3.71 -0.49 2.72 2.02 0.12 -4.94 118.70 123.46 3ih9 s GLU 442 Ca 0.03 0.52 0.04 0.00 0.02 0.00 0.00 54.97 55.58 3ih9 s GLU 442 Cb -0.30 -3.90 0.17 0.00 0.10 0.00 0.00 34.13 30.20 3ih9 s GLU 442 CO 0.03 -1.32 0.38 0.34 0.02 0.00 0.00 175.26 174.71 3ih9 s ASP 443 N 2.37 2.41 0.00 -0.19 -1.08 -1.26 -1.45 116.67 117.46 3ih9 s ASP 443 Ca 0.46 -3.26 0.00 0.00 -0.52 0.00 0.00 52.55 49.23 3ih9 s ASP 443 Cb -0.08 -0.77 0.00 0.00 -1.46 0.00 0.00 42.92 40.61 3ih9 s ASP 443 CO 0.30 -0.15 0.96 -0.81 0.52 0.00 0.00 175.17 175.98 3ih9 n PRO 444 N 2.64 0.00 -2.71 4.34 -0.04 -1.26 -2.88 135.00 135.09 3ih9 n PRO 444 Ca 0.26 0.93 -0.43 0.00 -0.04 0.00 0.00 63.50 64.23 3ih9 n PRO 444 Cb 0.44 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 3ih9 n PRO 444 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3ih9 n GLU 445 N -2.78 3.59 0.00 0.54 1.02 -1.26 -4.92 120.64 116.83 3ih9 n GLU 445 Ca 0.00 -3.81 0.00 0.00 -0.02 0.00 0.00 57.16 53.33 3ih9 n GLU 445 Cb 0.00 -2.91 0.00 0.00 -0.02 0.00 0.00 31.44 28.51 3ih9 n GLU 445 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3ih9 n ARG 446 N 4.29 0.00 -0.02 3.49 1.74 -1.14 -4.78 116.66 120.23 3ih9 n ARG 446 Ca 0.36 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.46 3ih9 n ARG 446 Cb 0.39 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.74 3ih9 n ARG 446 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3ih9 n ILE 447 N 0.00 0.29 0.13 0.55 5.41 -1.26 -5.19 119.36 119.29 3ih9 n ILE 447 Ca 0.00 -0.34 0.01 0.00 1.00 0.00 0.00 62.75 63.42 3ih9 n ILE 447 Cb 0.00 -0.14 0.06 0.00 -0.71 0.00 0.00 39.64 38.85 3ih9 n ILE 447 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44