#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hs6 n HIS 34 N 0.00 1.75 0.33 -1.40 -0.00 -1.26 -4.84 115.22 109.79 3hs6 n HIS 34 Ca 0.00 0.56 0.22 0.00 -0.00 0.00 0.00 57.72 58.50 3hs6 n HIS 34 Cb 0.00 -2.39 1.16 0.00 -0.00 0.00 0.00 29.99 28.76 3hs6 n HIS 34 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3hs6 h PRO 35 N 5.60 0.00 -0.07 1.57 0.11 -1.87 -2.53 132.00 134.81 3hs6 h PRO 35 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hs6 h PRO 35 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3hs6 h PRO 35 CO 0.84 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.63 3hs6 n SER 38 N -4.50 0.00 -3.74 0.00 3.41 -1.26 -3.97 113.62 103.56 3hs6 n SER 38 Ca 0.22 -0.71 -0.30 0.00 -0.26 0.00 0.00 58.87 57.82 3hs6 n SER 38 Cb 0.82 -0.04 0.03 0.00 -0.26 0.00 0.00 64.21 64.76 3hs6 n SER 38 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hs6 n ASN 39 N -1.04 -4.06 0.06 4.04 3.02 -0.26 -4.92 115.26 112.10 3hs6 n ASN 39 Ca 0.18 -1.00 -0.04 0.00 -0.03 0.00 0.00 54.58 53.69 3hs6 n ASN 39 Cb 0.10 -3.35 0.17 0.00 -0.61 0.00 0.00 39.78 36.09 3hs6 n ASN 39 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3hs6 h PRO 40 N -1.89 0.35 -6.32 3.52 0.13 -1.91 -3.44 132.00 122.44 3hs6 h PRO 40 Ca -0.66 -0.18 -0.55 0.00 -0.87 0.00 0.00 66.00 63.75 3hs6 h PRO 40 Cb 1.36 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.47 3hs6 h PRO 40 CO 0.51 0.72 0.59 0.00 -0.23 0.00 0.00 178.00 179.60 3hs6 s GLN 42 N 1.86 2.59 -1.50 0.00 -1.52 -0.37 -4.57 119.66 116.14 3hs6 s GLN 42 Ca 0.53 -1.45 -0.05 0.00 -1.95 0.00 0.00 55.36 52.44 3hs6 s GLN 42 Cb -0.22 -2.39 0.02 0.00 -0.22 0.00 0.00 33.01 30.19 3hs6 s GLN 42 CO 0.22 -0.06 0.47 0.09 -0.25 0.00 0.00 175.29 175.76 3hs6 n ASN 43 N -1.44 -5.51 -0.15 5.90 3.02 -1.26 -1.84 115.26 113.98 3hs6 n ASN 43 Ca 0.01 -0.24 -0.02 0.00 -0.03 0.00 0.00 54.58 54.30 3hs6 n ASN 43 Cb 0.61 -4.49 -0.01 0.00 -0.61 0.00 0.00 39.78 35.28 3hs6 n ASN 43 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3hs6 n ARG 44 N -3.77 -0.17 -2.15 3.52 1.74 -1.26 -4.81 116.66 109.76 3hs6 n ARG 44 Ca -0.11 0.51 -0.38 0.00 -0.77 0.00 0.00 57.85 57.10 3hs6 n ARG 44 Cb 0.61 -4.05 0.00 0.00 -1.02 0.00 0.00 32.46 28.00 3hs6 n ARG 44 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3hs6 s GLY 45 N -2.85 2.81 -0.14 -0.13 0.00 -0.76 -4.96 107.32 101.29 3hs6 s GLY 45 Ca 0.00 1.03 -0.14 0.00 0.00 0.00 0.00 44.72 45.62 3hs6 s GLY 45 CO 0.00 1.51 0.30 -0.54 0.00 0.00 0.00 173.10 174.37 3hs6 s GLU 46 N -2.69 4.18 -0.08 2.90 0.41 -0.38 -4.67 118.70 118.37 3hs6 s GLU 46 Ca 0.64 0.12 -0.15 0.00 -0.41 0.00 0.00 54.97 55.18 3hs6 s GLU 46 Cb -0.32 -3.39 -0.05 0.00 -1.78 0.00 0.00 34.13 28.59 3hs6 s GLU 46 CO 0.38 0.31 0.37 0.00 -0.49 0.00 0.00 175.26 175.83 3hs6 s MET 48 N -0.26 0.00 0.41 0.00 0.00 -0.77 -5.01 119.30 113.67 3hs6 s MET 48 Ca 0.21 0.06 -0.23 0.00 0.00 0.00 0.00 55.69 55.73 3hs6 s MET 48 Cb -0.15 -0.09 -0.09 0.00 0.00 0.00 0.00 34.83 34.50 3hs6 s MET 48 CO 0.09 -0.05 1.04 -1.54 0.00 0.00 0.00 175.02 174.57 3hs6 s SER 49 N 0.34 6.71 -0.37 1.11 1.04 -1.26 -0.21 113.70 121.06 3hs6 s SER 49 Ca -0.03 2.01 0.01 0.00 0.48 0.00 0.00 55.95 58.42 3hs6 s SER 49 Cb -0.04 -2.58 0.14 0.00 0.10 0.00 0.00 66.02 63.64 3hs6 s SER 49 CO -0.01 -0.53 0.22 0.42 0.98 0.00 0.00 173.24 174.32 3hs6 s THR 50 N -1.72 0.46 0.00 2.02 -4.23 -0.28 -4.80 115.64 107.09 3hs6 s THR 50 Ca 0.59 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 3hs6 s THR 50 Cb -0.21 -1.34 0.00 0.00 1.34 0.00 0.00 72.50 72.29 3hs6 s THR 50 CO 0.26 -0.96 0.00 0.61 -0.54 0.00 0.00 174.62 173.99 3hs6 n GLY 51 N 3.93 -0.23 0.14 3.99 0.00 -1.26 -3.96 105.19 107.80 3hs6 n GLY 51 Ca 0.11 -1.88 -0.05 0.00 0.00 0.00 0.00 46.02 44.20 3hs6 n GLY 51 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3hs6 h PHE 52 N 0.00 0.19 -0.08 1.61 0.04 -1.98 -3.35 116.94 113.37 3hs6 h PHE 52 Ca 0.00 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.68 3hs6 h PHE 52 Cb 0.00 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.12 3hs6 h PHE 52 CO 0.00 0.81 0.00 -0.40 -0.60 0.00 0.00 178.31 178.12 3hs6 n ASP 53 N -3.75 1.93 -4.23 2.17 5.68 -1.26 -4.52 116.55 112.57 3hs6 n ASP 53 Ca -0.02 -1.64 -0.19 0.00 -0.50 0.00 0.00 54.79 52.44 3hs6 n ASP 53 Cb 0.70 -0.05 -0.12 0.00 -1.14 0.00 0.00 41.12 40.51 3hs6 n ASP 53 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 3hs6 s GLN 54 N -0.72 1.00 0.16 0.11 2.00 -1.25 -4.96 119.66 116.00 3hs6 s GLN 54 Ca 0.08 -1.16 0.04 0.00 -2.00 0.00 0.00 55.36 52.32 3hs6 s GLN 54 Cb 0.04 -0.99 -0.05 0.00 0.80 0.00 0.00 33.01 32.82 3hs6 s GLN 54 CO 0.06 0.21 -0.08 1.52 -0.50 0.00 0.00 175.29 176.49 3hs6 s TYR 55 N -1.74 1.31 -0.02 1.67 -0.85 -1.26 -1.13 117.35 115.33 3hs6 s TYR 55 Ca 0.06 -0.79 0.01 0.00 -0.52 0.00 0.00 57.07 55.83 3hs6 s TYR 55 Cb -0.07 -0.68 0.01 0.00 0.38 0.00 0.00 41.96 41.60 3hs6 s TYR 55 CO 0.03 0.05 -0.04 0.21 -1.52 0.00 0.00 175.55 174.28 3hs6 s LYS 56 N -3.77 0.56 -0.07 -3.49 2.20 0.71 -4.80 119.74 111.08 3hs6 s LYS 56 Ca 0.19 -0.12 -0.14 0.00 -0.36 0.00 0.00 55.97 55.54 3hs6 s LYS 56 Cb 0.03 -0.59 -0.05 0.00 -1.51 0.00 0.00 37.83 35.71 3hs6 s LYS 56 CO 0.02 0.00 0.36 0.00 -0.36 0.00 0.00 175.35 175.37 3hs6 s ASP 58 N -0.39 6.15 0.00 0.00 -1.08 0.12 -4.92 116.67 116.55 3hs6 s ASP 58 Ca 0.21 -0.70 0.22 0.00 -0.52 0.00 0.00 52.55 51.76 3hs6 s ASP 58 Cb -0.15 -2.19 0.53 0.00 -1.46 0.00 0.00 42.92 39.65 3hs6 s ASP 58 CO 0.09 -0.47 1.46 0.00 0.52 0.00 0.00 175.17 176.77 3hs6 n THR 60 N 1.43 0.13 -1.19 0.00 -1.04 -1.26 -1.63 114.28 110.71 3hs6 n THR 60 Ca 0.21 -0.02 -0.09 0.00 -2.04 0.00 0.00 64.05 62.11 3hs6 n THR 60 Cb 0.58 -0.82 -0.04 0.00 -1.82 0.00 0.00 70.33 68.23 3hs6 n THR 60 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3hs6 n ARG 61 N 3.85 -1.73 0.20 -2.82 1.74 -1.26 -4.83 116.66 111.82 3hs6 n ARG 61 Ca 0.24 0.75 0.13 0.00 -0.77 0.00 0.00 57.85 58.20 3hs6 n ARG 61 Cb 0.10 -5.06 0.29 0.00 -1.02 0.00 0.00 32.46 26.77 3hs6 n ARG 61 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 3hs6 h THR 62 N 0.00 0.00 0.00 0.55 1.35 -1.62 -3.47 112.91 109.72 3hs6 h THR 62 Ca -0.18 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 3hs6 h THR 62 Cb 1.04 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 3hs6 h THR 62 CO 0.26 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.14 3hs6 n GLY 63 N 0.97 0.51 3.24 5.82 0.00 -1.26 -5.01 105.19 109.46 3hs6 n GLY 63 Ca 0.04 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 3hs6 n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hs6 s PHE 64 N -2.00 1.26 0.11 1.61 0.08 -1.26 -2.32 117.98 115.45 3hs6 s PHE 64 Ca 0.00 -0.72 0.02 0.00 0.12 0.00 0.00 56.93 56.35 3hs6 s PHE 64 Cb 0.00 -0.64 -0.01 0.00 -0.57 0.00 0.00 43.02 41.80 3hs6 s PHE 64 CO 0.00 0.08 0.10 2.48 -0.10 0.00 0.00 175.22 177.78 3hs6 n TYR 65 N -0.02 -0.32 0.00 0.36 0.18 -0.63 -4.80 117.16 111.92 3hs6 n TYR 65 Ca -0.11 -0.88 0.00 0.00 1.88 0.00 0.00 57.90 58.78 3hs6 n TYR 65 Cb 0.60 0.11 0.00 0.00 -0.38 0.00 0.00 39.34 39.66 3hs6 n TYR 65 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3hs6 n GLY 66 N -0.20 1.73 0.37 -7.48 0.00 -1.26 -2.28 105.19 96.07 3hs6 n GLY 66 Ca 0.02 -1.97 0.14 0.00 0.00 0.00 0.00 46.02 44.21 3hs6 n GLY 66 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hs6 h GLU 67 N 0.00 0.68 -0.18 1.61 4.81 -2.00 -2.28 114.58 117.22 3hs6 h GLU 67 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3hs6 h GLU 67 Cb 0.00 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.23 3hs6 h GLU 67 CO 0.00 0.45 0.00 0.09 -0.73 0.00 0.00 179.01 178.82 3hs6 n ASN 68 N -4.69 3.01 -3.71 1.04 3.02 -1.26 -4.21 115.26 108.45 3hs6 n ASN 68 Ca 0.22 -2.65 -0.22 0.00 -0.03 0.00 0.00 54.58 51.90 3hs6 n ASN 68 Cb 0.59 -0.36 0.03 0.00 -0.61 0.00 0.00 39.78 39.43 3hs6 n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hs6 n THR 70 N -4.26 0.42 -3.03 0.00 -2.24 -1.02 -4.44 114.28 99.70 3hs6 n THR 70 Ca -0.29 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 60.72 3hs6 n THR 70 Cb 0.68 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.49 3hs6 n THR 70 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hs6 s THR 71 N -2.43 4.86 0.38 4.28 -4.23 -0.96 -4.94 115.64 112.60 3hs6 s THR 71 Ca -0.04 0.98 -0.23 0.00 -1.18 0.00 0.00 61.69 61.21 3hs6 s THR 71 Cb 0.04 -4.08 -0.11 0.00 1.34 0.00 0.00 72.50 69.70 3hs6 s THR 71 CO 0.42 -0.21 0.95 -2.16 -0.54 0.00 0.00 174.62 173.07 3hs6 s PRO 72 N 2.79 4.39 0.81 3.99 0.04 -1.26 -1.61 135.00 144.15 3hs6 s PRO 72 Ca 0.29 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 62.42 3hs6 s PRO 72 Cb -0.14 -2.45 0.08 0.00 0.04 0.00 0.00 34.50 32.02 3hs6 s PRO 72 CO 0.13 0.11 1.09 -1.21 0.04 0.00 0.00 177.00 177.15 3hs6 s GLU 73 N -2.68 1.95 0.13 4.56 2.02 -0.98 -4.84 118.70 118.85 3hs6 s GLU 73 Ca 0.57 0.74 -0.19 0.00 0.02 0.00 0.00 54.97 56.10 3hs6 s GLU 73 Cb -0.13 -1.89 -0.06 0.00 0.10 0.00 0.00 34.13 32.14 3hs6 s GLU 73 CO 0.18 -1.74 1.78 0.35 0.02 0.00 0.00 175.26 175.85 3hs6 h PHE 74 N -1.18 0.26 -0.78 1.61 3.57 -1.97 -1.91 116.94 116.54 3hs6 h PHE 74 Ca -0.47 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.07 3hs6 h PHE 74 Cb 1.27 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.88 3hs6 h PHE 74 CO 0.47 0.16 0.52 -0.07 -2.23 0.00 0.00 178.31 177.16 3hs6 h LEU 75 N 0.28 0.83 -0.39 0.59 4.07 -1.96 -2.06 115.31 116.69 3hs6 h LEU 75 Ca 0.08 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 3hs6 h LEU 75 Cb -0.02 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.50 3hs6 h LEU 75 CO -0.03 0.58 0.21 0.74 -1.08 0.00 0.00 178.44 178.87 3hs6 h THR 76 N 0.97 1.15 -1.00 0.22 2.02 -1.70 0.13 112.91 114.69 3hs6 h THR 76 Ca 0.31 -0.38 0.03 0.00 0.77 0.00 0.00 66.41 67.14 3hs6 h THR 76 Cb 0.03 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 67.07 3hs6 h THR 76 CO -0.09 0.15 0.66 -0.09 0.37 0.00 0.00 175.52 176.52 3hs6 h ARG 77 N 0.50 1.24 -0.29 6.66 2.43 -0.71 0.17 114.38 124.38 3hs6 h ARG 77 Ca 0.14 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.08 3hs6 h ARG 77 Cb 0.06 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 3hs6 h ARG 77 CO -0.02 0.82 -0.42 0.82 -1.51 0.00 0.00 179.97 179.66 3hs6 h ILE 78 N 1.28 1.29 -0.37 1.20 2.04 -1.09 -2.51 117.51 119.35 3hs6 h ILE 78 Ca 0.40 -1.60 -0.10 0.00 1.00 0.00 0.00 64.86 64.55 3hs6 h ILE 78 Cb -0.02 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 3hs6 h ILE 78 CO -0.12 0.52 -0.18 0.50 0.00 0.00 0.00 178.15 178.86 3hs6 h LYS 79 N 0.59 0.69 -0.15 2.37 1.63 0.12 -2.81 116.57 119.00 3hs6 h LYS 79 Ca 0.04 -0.25 -0.21 0.00 -0.85 0.00 0.00 60.65 59.38 3hs6 h LYS 79 Cb 0.97 -0.05 0.01 0.00 -0.60 0.00 0.00 32.23 32.56 3hs6 h LYS 79 CO 0.09 0.83 -0.74 -0.07 -3.45 0.00 0.00 179.45 176.11 3hs6 h LEU 80 N 0.61 0.91 -1.49 5.20 3.38 -0.69 -2.58 115.31 120.66 3hs6 h LEU 80 Ca 0.09 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3hs6 h LEU 80 Cb 0.65 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3hs6 h LEU 80 CO 0.05 1.39 0.34 -0.07 0.09 0.00 0.00 178.44 180.24 3hs6 h LEU 81 N 0.49 0.60 0.00 1.67 3.38 -1.41 -3.06 115.31 116.98 3hs6 h LEU 81 Ca -0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3hs6 h LEU 81 Cb 1.37 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3hs6 h LEU 81 CO 0.15 0.43 -0.92 0.18 0.09 0.00 0.00 178.44 178.38 3hs6 n LEU 82 N -4.46 0.66 -4.66 1.67 4.32 -1.06 -4.90 117.00 108.57 3hs6 n LEU 82 Ca 0.05 -0.13 -0.42 0.00 -0.02 0.00 0.00 56.01 55.48 3hs6 n LEU 82 Cb 0.05 -0.11 -0.03 0.00 -1.62 0.00 0.00 43.42 41.71 3hs6 n LEU 82 CO 0.36 0.11 0.79 -0.54 -1.22 0.00 0.00 177.39 176.89 3hs6 s LYS 83 N -3.11 4.26 0.57 3.23 1.02 -0.97 -5.04 119.74 119.69 3hs6 s LYS 83 Ca 0.06 1.20 -0.18 0.00 0.02 0.00 0.00 55.97 57.08 3hs6 s LYS 83 Cb 0.15 -3.62 -0.05 0.00 -0.52 0.00 0.00 37.83 33.80 3hs6 s LYS 83 CO 0.80 -0.52 1.08 -1.25 -0.92 0.00 0.00 175.35 174.53 3hs6 s PRO 84 N 2.83 3.33 0.71 -1.68 0.04 -1.26 -4.98 135.00 133.99 3hs6 s PRO 84 Ca 0.41 1.38 -0.12 0.00 0.04 0.00 0.00 61.00 62.72 3hs6 s PRO 84 Cb -0.16 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.38 3hs6 s PRO 84 CO 0.08 -0.82 1.08 0.95 0.04 0.00 0.00 177.00 178.33 3hs6 s THR 85 N -2.15 3.67 0.35 1.26 -4.23 -1.26 -4.90 115.64 108.38 3hs6 s THR 85 Ca 0.67 0.59 0.05 0.00 -1.18 0.00 0.00 61.69 61.82 3hs6 s THR 85 Cb -0.19 -3.19 0.29 0.00 1.34 0.00 0.00 72.50 70.75 3hs6 s THR 85 CO 0.31 -0.67 1.94 -0.65 -0.54 0.00 0.00 174.62 175.01 3hs6 h PRO 86 N -0.69 0.80 -0.35 3.99 0.11 -1.96 -2.41 132.00 131.49 3hs6 h PRO 86 Ca -0.44 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 3hs6 h PRO 86 Cb 1.22 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3hs6 h PRO 86 CO 0.55 0.53 -0.13 -0.91 -0.21 0.00 0.00 178.00 177.82 3hs6 h ASN 87 N 0.82 0.60 -0.02 -2.05 2.35 -1.99 -0.11 115.58 115.19 3hs6 h ASN 87 Ca 0.34 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3hs6 h ASN 87 Cb 0.28 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 3hs6 h ASN 87 CO -0.12 0.76 0.00 0.74 -1.65 0.00 0.00 177.43 177.16 3hs6 h THR 88 N 0.56 1.22 -0.66 2.81 2.02 -1.87 -1.43 112.91 115.56 3hs6 h THR 88 Ca 0.10 -0.66 0.03 0.00 0.77 0.00 0.00 66.41 66.65 3hs6 h THR 88 Cb 0.55 1.64 -0.04 0.00 -1.74 0.00 0.00 68.15 68.56 3hs6 h THR 88 CO 0.03 0.18 0.40 0.58 0.37 0.00 0.00 175.52 177.08 3hs6 h VAL 89 N -0.24 1.06 -0.53 3.16 2.07 -1.31 -1.59 116.25 118.87 3hs6 h VAL 89 Ca 0.01 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3hs6 h VAL 89 Cb 0.28 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3hs6 h VAL 89 CO 0.00 0.14 0.29 -0.74 0.02 0.00 0.00 177.57 177.28 3hs6 h HIS 90 N 0.78 0.72 -0.03 1.57 6.17 -0.96 -1.96 115.15 121.45 3hs6 h HIS 90 Ca 0.27 -0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.36 3hs6 h HIS 90 Cb 0.05 -0.23 -0.03 0.00 2.52 0.00 0.00 27.41 29.72 3hs6 h HIS 90 CO -0.05 0.54 -0.13 -0.92 0.71 0.00 0.00 177.93 178.07 3hs6 h TYR 91 N 0.70 -0.33 -0.32 5.26 3.20 -0.88 -2.17 116.97 122.43 3hs6 h TYR 91 Ca 0.18 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.13 3hs6 h TYR 91 Cb 0.05 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.42 3hs6 h TYR 91 CO -0.01 -0.19 -0.04 0.82 -1.64 0.00 0.00 178.16 177.10 3hs6 h ILE 92 N -0.20 0.72 0.00 1.81 2.04 -1.03 -1.56 117.51 119.29 3hs6 h ILE 92 Ca 0.05 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 3hs6 h ILE 92 Cb 0.28 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3hs6 h ILE 92 CO -0.15 0.01 -0.07 -0.07 0.00 0.00 0.00 178.15 177.87 3hs6 h LEU 93 N 0.05 0.00 -3.04 1.44 3.38 -1.24 -2.79 115.31 113.12 3hs6 h LEU 93 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3hs6 h LEU 93 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hs6 h LEU 93 CO -0.29 0.07 0.00 0.35 0.09 0.00 0.00 178.44 178.66 3hs6 n THR 94 N -3.28 1.54 -4.11 0.22 -2.24 -0.82 -1.29 114.28 104.29 3hs6 n THR 94 Ca -0.01 -1.29 -0.06 0.00 -2.27 0.00 0.00 64.05 60.42 3hs6 n THR 94 Cb 0.28 0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.71 3hs6 n THR 94 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3hs6 n HIS 95 N 0.38 0.02 -4.00 4.78 8.25 -0.65 -4.89 115.22 119.11 3hs6 n HIS 95 Ca 0.18 -0.61 -0.29 0.00 -0.26 0.00 0.00 57.72 56.74 3hs6 n HIS 95 Cb 0.66 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.76 3hs6 n HIS 95 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hs6 n PHE 96 N -0.21 -1.79 0.18 4.41 3.01 -1.26 -4.81 117.46 116.99 3hs6 n PHE 96 Ca -0.01 0.79 0.18 0.00 1.01 0.00 0.00 57.45 59.42 3hs6 n PHE 96 Cb 0.14 -3.62 0.81 0.00 -0.01 0.00 0.00 39.48 36.80 3hs6 n PHE 96 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 3hs6 h LYS 97 N -1.79 0.00 -0.15 -1.08 1.79 -1.93 0.51 116.57 113.93 3hs6 h LYS 97 Ca -0.61 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 57.65 3hs6 h LYS 97 Cb 1.38 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.03 3hs6 h LYS 97 CO 0.67 0.00 -0.74 0.78 -1.08 0.00 0.00 179.45 179.07 3hs6 h GLY 98 N 0.00 0.78 0.80 3.86 0.00 -2.00 -2.69 103.07 103.81 3hs6 h GLY 98 Ca 0.12 -1.08 -0.04 0.00 0.00 0.00 0.00 47.33 46.33 3hs6 h GLY 98 CO -0.00 0.96 -0.04 -2.08 0.00 0.00 0.00 176.54 175.38 3hs6 h VAL 99 N 0.49 1.28 -0.52 4.60 2.07 -1.27 -3.18 116.25 119.72 3hs6 h VAL 99 Ca -0.04 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 3hs6 h VAL 99 Cb 1.36 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 3hs6 h VAL 99 CO 0.15 0.30 0.21 -0.50 0.02 0.00 0.00 177.57 177.75 3hs6 h TRP 100 N 0.08 0.74 -0.67 1.57 4.06 -1.51 -1.56 115.95 118.67 3hs6 h TRP 100 Ca 0.05 -0.03 0.08 0.00 2.06 0.00 0.00 58.89 61.05 3hs6 h TRP 100 Cb 0.47 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 28.36 3hs6 h TRP 100 CO 0.05 0.57 0.44 -0.97 -3.56 0.00 0.00 178.44 174.97 3hs6 h ASN 101 N 0.74 0.52 0.24 -3.49 -1.24 -1.48 0.11 115.58 110.97 3hs6 h ASN 101 Ca 0.18 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.18 3hs6 h ASN 101 Cb 0.14 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.09 3hs6 h ASN 101 CO -0.02 0.32 -0.11 0.40 -1.29 0.00 0.00 177.43 176.73 3hs6 h ILE 102 N 0.58 0.73 -0.91 2.57 2.04 -1.30 -3.30 117.51 117.93 3hs6 h ILE 102 Ca 0.30 -0.88 0.06 0.00 1.00 0.00 0.00 64.86 65.34 3hs6 h ILE 102 Cb 0.41 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 3hs6 h ILE 102 CO -0.10 0.16 0.59 0.58 0.00 0.00 0.00 178.15 179.39 3hs6 h VAL 103 N -0.84 1.08 0.00 1.67 2.07 -0.82 0.20 116.25 119.60 3hs6 h VAL 103 Ca -0.03 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3hs6 h VAL 103 Cb 0.51 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3hs6 h VAL 103 CO 0.05 0.19 -0.04 0.78 0.02 0.00 0.00 177.57 178.57 3hs6 h ASN 104 N 1.05 0.00 -0.01 0.57 2.35 -0.93 -2.86 115.58 115.74 3hs6 h ASN 104 Ca 0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 3hs6 h ASN 104 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3hs6 h ASN 104 CO -0.14 0.04 -0.23 0.59 -1.65 0.00 0.00 177.43 176.04 3hs6 n ASN 105 N -3.48 2.44 -4.21 5.81 5.03 0.04 -4.72 115.26 116.17 3hs6 n ASN 105 Ca -0.02 -1.73 -0.40 0.00 0.87 0.00 0.00 54.58 53.30 3hs6 n ASN 105 Cb 0.15 0.23 -0.09 0.00 -1.02 0.00 0.00 39.78 39.05 3hs6 n ASN 105 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3hs6 s ILE 105 N -2.24 4.08 0.31 2.41 1.01 -1.08 -4.99 121.20 120.71 3hs6 s ILE 105 Ca 0.24 -1.75 0.09 0.00 0.00 0.00 0.00 60.65 59.22 3hs6 s ILE 105 Cb 0.19 -3.67 0.31 0.00 0.01 0.00 0.00 42.46 39.31 3hs6 s ILE 105 CO 0.44 -0.71 1.69 -0.65 0.00 0.00 0.00 174.94 175.71 3hs6 h PRO 106 N 8.39 0.42 -0.57 2.79 0.11 -1.84 -0.36 132.00 140.93 3hs6 h PRO 106 Ca -0.20 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.83 3hs6 h PRO 106 Cb 1.07 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 3hs6 h PRO 106 CO 0.82 0.28 0.16 0.35 -0.21 0.00 0.00 178.00 179.40 3hs6 h PHE 107 N 0.43 0.94 -0.21 0.65 3.57 -1.94 -1.23 116.94 119.15 3hs6 h PHE 107 Ca 0.64 -0.10 -0.08 0.00 3.53 0.00 0.00 57.97 61.96 3hs6 h PHE 107 Cb 1.29 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 3hs6 h PHE 107 CO -0.06 0.79 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.57 3hs6 h LEU 108 N 0.81 0.52 -0.39 0.59 4.07 -1.39 -1.99 115.31 117.52 3hs6 h LEU 108 Ca 0.18 -0.45 0.06 0.00 0.08 0.00 0.00 57.88 57.75 3hs6 h LEU 108 Cb 0.31 -0.14 -0.05 0.00 1.08 0.00 0.00 40.66 41.85 3hs6 h LEU 108 CO -0.00 0.86 0.08 -0.09 -1.08 0.00 0.00 178.44 178.21 3hs6 h ARG 109 N 0.18 0.21 -0.91 1.13 2.43 -1.21 -0.78 114.38 115.42 3hs6 h ARG 109 Ca 0.04 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3hs6 h ARG 109 Cb 0.70 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.15 3hs6 h ARG 109 CO 0.04 0.14 0.60 0.77 -1.51 0.00 0.00 179.97 180.01 3hs6 h SER 110 N 0.22 1.01 -0.21 -3.80 0.02 -1.22 -1.22 113.55 108.35 3hs6 h SER 110 Ca 0.19 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 3hs6 h SER 110 Cb 0.22 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3hs6 h SER 110 CO -0.24 0.72 -0.04 0.25 -1.14 0.00 0.00 176.83 176.37 3hs6 h LEU 111 N 1.19 0.40 -0.34 5.07 5.85 -0.52 -1.50 115.31 125.45 3hs6 h LEU 111 Ca 0.35 -0.36 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 3hs6 h LEU 111 Cb -0.06 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3hs6 h LEU 111 CO -0.09 0.67 -0.30 0.40 -0.34 0.00 0.00 178.44 178.78 3hs6 h ILE 112 N 0.12 1.29 -0.68 4.05 5.03 -1.10 -2.03 117.51 124.19 3hs6 h ILE 112 Ca 0.05 -1.46 -0.01 0.00 -0.12 0.00 0.00 64.86 63.32 3hs6 h ILE 112 Cb 0.49 1.46 -0.03 0.00 -3.03 0.00 0.00 36.82 35.70 3hs6 h ILE 112 CO 0.02 0.48 0.38 -0.03 -0.68 0.00 0.00 178.15 178.32 3hs6 h MET 113 N 0.59 0.94 -0.59 2.37 4.05 -1.23 0.34 114.93 121.40 3hs6 h MET 113 Ca 0.06 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 3hs6 h MET 113 Cb 0.87 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 31.45 3hs6 h MET 113 CO 0.08 0.68 0.38 -0.22 0.23 0.00 0.00 176.91 178.06 3hs6 h LYS 114 N 0.95 0.79 -0.69 0.39 3.64 -1.09 -2.05 116.57 118.51 3hs6 h LYS 114 Ca 0.24 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3hs6 h LYS 114 Cb 0.02 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 3hs6 h LYS 114 CO -0.04 0.55 0.34 -0.92 -2.27 0.00 0.00 179.45 177.11 3hs6 h TYR 115 N 0.80 0.99 -0.49 1.91 3.20 -0.54 -1.75 116.97 121.08 3hs6 h TYR 115 Ca 0.22 -0.05 0.05 0.00 3.14 0.00 0.00 58.73 62.09 3hs6 h TYR 115 Cb -0.06 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 37.86 3hs6 h TYR 115 CO -0.03 0.73 0.22 0.28 -1.64 0.00 0.00 178.16 177.72 3hs6 h VAL 116 N 0.96 0.90 -0.24 1.81 2.07 -0.73 -2.09 116.25 118.92 3hs6 h VAL 116 Ca 0.24 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.54 3hs6 h VAL 116 Cb 0.11 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3hs6 h VAL 116 CO -0.03 0.08 -0.15 -0.07 0.02 0.00 0.00 177.57 177.42 3hs6 h LEU 117 N 0.42 0.55 -0.10 2.57 3.38 -1.14 -3.34 115.31 117.65 3hs6 h LEU 117 Ca 0.23 -0.43 -0.22 0.00 0.09 0.00 0.00 57.88 57.55 3hs6 h LEU 117 Cb 0.19 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3hs6 h LEU 117 CO -0.19 0.86 -0.99 0.71 0.09 0.00 0.00 178.44 178.91 3hs6 h THR 118 N 0.24 1.58 0.00 0.22 1.35 -1.26 -3.23 112.91 111.81 3hs6 h THR 118 Ca 0.05 -3.02 0.00 0.00 -0.55 0.00 0.00 66.41 62.89 3hs6 h THR 118 Cb 0.66 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 3hs6 h THR 118 CO 0.04 0.87 0.02 0.77 -0.25 0.00 0.00 175.52 176.97 3hs6 h SER 119 N 0.05 0.00 -0.18 5.36 4.64 -1.50 -2.20 113.55 119.73 3hs6 h SER 119 Ca -0.05 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 3hs6 h SER 119 Cb 1.69 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.75 3hs6 h SER 119 CO 0.15 0.00 -0.11 0.54 -0.87 0.00 0.00 176.83 176.53 3hs6 n ARG 120 N -2.98 1.93 -0.07 4.77 1.74 -1.22 -4.73 116.66 116.10 3hs6 n ARG 120 Ca -0.03 -2.97 -0.13 0.00 -0.77 0.00 0.00 57.85 53.96 3hs6 n ARG 120 Cb 0.08 -1.71 -0.14 0.00 -1.02 0.00 0.00 32.46 29.67 3hs6 n ARG 120 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3hs6 n SER 121 N -1.05 0.91 0.00 0.55 7.64 -0.83 -4.00 113.62 116.84 3hs6 n SER 121 Ca 0.23 0.11 0.13 0.00 1.01 0.00 0.00 58.87 60.35 3hs6 n SER 121 Cb 0.84 0.19 0.70 0.00 -1.01 0.00 0.00 64.21 64.92 3hs6 n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hs6 n TYR 122 N -3.03 0.00 0.24 1.43 4.11 -1.26 -3.74 117.16 114.92 3hs6 n TYR 122 Ca -0.31 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 57.71 3hs6 n TYR 122 Cb 1.08 -0.16 0.14 0.00 -0.00 0.00 0.00 39.34 40.41 3hs6 n TYR 122 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 3hs6 h LEU 123 N 0.00 0.00 -8.60 -3.48 3.38 -1.91 -3.45 115.31 101.24 3hs6 h LEU 123 Ca 0.00 -0.01 -0.66 0.00 0.09 0.00 0.00 57.88 57.30 3hs6 h LEU 123 Cb 0.13 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 40.61 3hs6 h LEU 123 CO 0.00 0.01 -0.76 -0.63 0.09 0.00 0.00 178.44 177.15 3hs6 s ILE 124 N -3.24 3.12 -0.12 1.22 -1.09 -1.25 -5.02 121.20 114.82 3hs6 s ILE 124 Ca 0.05 -0.63 -0.29 0.00 -2.23 0.00 0.00 60.65 57.55 3hs6 s ILE 124 Cb 0.07 -2.32 -0.05 0.00 -1.58 0.00 0.00 42.46 38.58 3hs6 s ILE 124 CO 0.70 0.51 1.77 -1.81 -1.23 0.00 0.00 174.94 174.88 3hs6 s ASP 125 N 0.46 6.37 -0.24 3.58 1.01 -1.26 -4.97 116.67 121.62 3hs6 s ASP 125 Ca -0.09 2.05 -0.03 0.00 0.71 0.00 0.00 52.55 55.19 3hs6 s ASP 125 Cb -0.16 -2.53 0.13 0.00 1.01 0.00 0.00 42.92 41.37 3hs6 s ASP 125 CO 0.04 -1.20 0.35 -0.55 0.21 0.00 0.00 175.17 174.03 3hs6 s SER 126 N 4.49 0.40 0.61 0.27 0.15 -1.26 -3.57 113.70 114.79 3hs6 s SER 126 Ca 0.79 0.16 -0.19 0.00 0.70 0.00 0.00 55.95 57.41 3hs6 s SER 126 Cb -0.32 1.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.97 3hs6 s SER 126 CO 0.32 -0.30 1.18 -0.81 1.20 0.00 0.00 173.24 174.83 3hs6 n PRO 127 N 5.36 1.14 -1.18 5.44 -0.04 -1.26 -4.95 135.00 139.51 3hs6 n PRO 127 Ca -0.04 0.44 -0.30 0.00 -0.04 0.00 0.00 63.50 63.56 3hs6 n PRO 127 Cb 0.50 -2.39 0.12 0.00 -0.04 0.00 0.00 33.50 31.69 3hs6 n PRO 127 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3hs6 s PRO 128 N -3.02 1.58 0.00 0.54 0.04 -1.23 -5.05 135.00 127.85 3hs6 s PRO 128 Ca 0.78 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.82 3hs6 s PRO 128 Cb -0.40 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3hs6 s PRO 128 CO 0.45 -2.07 0.00 0.25 0.04 0.00 0.00 177.00 175.67 3hs6 n THR 129 N -3.79 0.00 -1.65 1.26 -2.24 -1.26 -4.70 114.28 101.90 3hs6 n THR 129 Ca 0.08 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.56 3hs6 n THR 129 Cb 0.54 -0.02 0.06 0.00 -2.10 0.00 0.00 70.33 68.81 3hs6 n THR 129 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3hs6 s TYR 130 N 0.63 3.09 0.04 4.78 2.02 -1.26 -4.44 117.35 122.21 3hs6 s TYR 130 Ca 0.00 1.24 0.00 0.00 -0.37 0.00 0.00 57.07 57.94 3hs6 s TYR 130 Cb 0.00 -2.99 -0.00 0.00 -0.40 0.00 0.00 41.96 38.57 3hs6 s TYR 130 CO 0.00 -1.38 0.04 0.27 -1.57 0.00 0.00 175.55 172.91 3hs6 n ASN 131 N -3.19 -0.11 0.22 2.29 0.23 -0.96 -0.40 115.26 113.34 3hs6 n ASN 131 Ca 0.07 -1.23 0.06 0.00 -0.53 0.00 0.00 54.58 52.96 3hs6 n ASN 131 Cb 0.55 0.22 0.56 0.00 -2.08 0.00 0.00 39.78 39.04 3hs6 n ASN 131 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3hs6 h VAL 132 N 1.11 1.06 0.00 3.53 3.04 -1.88 -2.50 116.25 120.61 3hs6 h VAL 132 Ca -0.03 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 3hs6 h VAL 132 Cb 0.13 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 3hs6 h VAL 132 CO 0.04 0.08 -1.05 1.41 -1.01 0.00 0.00 177.57 177.04 3hs6 n HIS 133 N -4.46 0.13 -3.87 3.17 8.25 -1.26 -4.85 115.22 112.33 3hs6 n HIS 133 Ca -0.02 0.04 -0.30 0.00 -0.26 0.00 0.00 57.72 57.18 3hs6 n HIS 133 Cb 0.14 -0.29 -0.16 0.00 1.12 0.00 0.00 29.99 30.80 3hs6 n HIS 133 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3hs6 s TYR 134 N -3.14 2.01 -1.86 4.41 2.02 -0.94 -4.95 117.35 114.90 3hs6 s TYR 134 Ca 0.05 -1.54 0.28 0.00 -0.37 0.00 0.00 57.07 55.48 3hs6 s TYR 134 Cb 0.15 -1.47 1.00 0.00 -0.40 0.00 0.00 41.96 41.24 3hs6 s TYR 134 CO 0.82 -0.74 1.71 0.41 -1.57 0.00 0.00 175.55 176.18 3hs6 n GLY 135 N 4.78 -0.62 3.39 0.71 0.00 -1.26 -2.27 105.19 109.91 3hs6 n GLY 135 Ca -0.10 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 3hs6 n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hs6 s TYR 136 N -2.39 2.03 0.27 1.61 -0.85 -1.26 -4.87 117.35 111.89 3hs6 s TYR 136 Ca 0.29 -0.42 -0.30 0.00 -0.52 0.00 0.00 57.07 56.12 3hs6 s TYR 136 Cb 0.20 -0.97 -0.10 0.00 0.38 0.00 0.00 41.96 41.47 3hs6 s TYR 136 CO 0.47 0.47 1.42 0.15 -1.52 0.00 0.00 175.55 176.53 3hs6 s LYS 137 N -3.06 4.28 0.06 -3.49 1.02 -1.26 -4.81 119.74 112.47 3hs6 s LYS 137 Ca 0.21 2.30 -0.15 0.00 0.02 0.00 0.00 55.97 58.35 3hs6 s LYS 137 Cb -0.05 -3.10 0.02 0.00 -0.52 0.00 0.00 37.83 34.18 3hs6 s LYS 137 CO 0.09 -0.38 0.33 -1.54 -0.92 0.00 0.00 175.35 172.94 3hs6 s SER 138 N 0.19 -0.16 0.37 2.83 1.04 -1.26 -5.04 113.70 111.67 3hs6 s SER 138 Ca 0.57 -0.19 0.05 0.00 0.48 0.00 0.00 55.95 56.86 3hs6 s SER 138 Cb -0.42 0.39 0.71 0.00 0.10 0.00 0.00 66.02 66.80 3hs6 s SER 138 CO 0.46 -0.66 1.98 -0.25 0.98 0.00 0.00 173.24 175.75 3hs6 h TRP 139 N 3.04 0.59 -0.23 5.02 2.91 -1.99 -1.53 115.95 123.76 3hs6 h TRP 139 Ca -0.32 -0.01 0.01 0.00 1.13 0.00 0.00 58.89 59.70 3hs6 h TRP 139 Cb 1.21 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 29.65 3hs6 h TRP 139 CO 0.43 0.44 0.13 1.49 -1.03 0.00 0.00 178.44 179.90 3hs6 h GLU 140 N 0.60 0.26 -0.61 2.65 4.57 -1.98 0.24 114.58 120.32 3hs6 h GLU 140 Ca 0.15 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.22 3hs6 h GLU 140 Cb 0.07 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 3hs6 h GLU 140 CO -0.02 0.17 0.01 0.00 -1.18 0.00 0.00 179.01 177.99 3hs6 h ALA 141 N 1.10 0.87 -0.16 2.92 0.00 -1.81 -2.27 119.26 119.91 3hs6 h ALA 141 Ca 0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3hs6 h ALA 141 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hs6 h ALA 141 CO -0.05 0.67 0.04 0.35 0.00 0.00 0.00 179.25 180.26 3hs6 h PHE 142 N 0.97 0.27 0.00 0.00 3.57 -1.06 -3.35 116.94 117.35 3hs6 h PHE 142 Ca 0.18 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3hs6 h PHE 142 Cb 0.54 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.20 3hs6 h PHE 142 CO 0.04 0.40 -0.81 0.66 -2.23 0.00 0.00 178.31 176.37 3hs6 h SER 143 N 0.06 0.00 -2.82 0.41 4.64 -0.92 -3.45 113.55 111.48 3hs6 h SER 143 Ca 0.05 -0.03 -0.68 0.00 -0.47 0.00 0.00 61.79 60.66 3hs6 h SER 143 Cb 0.27 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.18 3hs6 h SER 143 CO 0.00 0.01 0.31 0.21 -0.87 0.00 0.00 176.83 176.49 3hs6 s ASN 144 N -5.34 6.24 0.00 4.97 3.84 -0.86 -4.91 114.94 118.88 3hs6 s ASN 144 Ca 0.01 -1.41 0.14 0.00 0.21 0.00 0.00 52.86 51.81 3hs6 s ASN 144 Cb 0.09 -2.34 0.61 0.00 -0.55 0.00 0.00 41.25 39.06 3hs6 s ASN 144 CO 0.76 -1.19 1.43 0.18 -2.79 0.00 0.00 177.10 175.50 3hs6 n LEU 145 N 6.67 0.00 0.17 3.21 4.77 -1.26 -2.71 117.00 127.85 3hs6 n LEU 145 Ca -0.04 0.47 0.13 0.00 -0.03 0.00 0.00 56.01 56.54 3hs6 n LEU 145 Cb 0.44 -0.47 0.51 0.00 -2.33 0.00 0.00 43.42 41.57 3hs6 n LEU 145 CO 0.58 -0.25 0.89 0.28 -1.33 0.00 0.00 177.39 177.57 3hs6 h SER 146 N 0.00 0.00 -3.30 -1.43 0.02 -1.91 -3.44 113.55 103.49 3hs6 h SER 146 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 3hs6 h SER 146 Cb 0.22 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.72 3hs6 h SER 146 CO 0.00 0.00 -0.01 -0.31 -1.14 0.00 0.00 176.83 175.37 3hs6 s TYR 147 N -3.36 3.77 0.40 3.45 2.02 -1.10 -0.23 117.35 122.29 3hs6 s TYR 147 Ca 0.05 1.28 -0.26 0.00 -0.37 0.00 0.00 57.07 57.76 3hs6 s TYR 147 Cb 0.09 -2.51 -0.09 0.00 -0.40 0.00 0.00 41.96 39.06 3hs6 s TYR 147 CO 0.48 0.53 1.29 0.71 -1.57 0.00 0.00 175.55 176.99 3hs6 s TYR 148 N -1.21 2.85 0.89 2.71 2.02 -0.58 -4.73 117.35 119.30 3hs6 s TYR 148 Ca 0.32 1.42 -0.13 0.00 -0.37 0.00 0.00 57.07 58.31 3hs6 s TYR 148 Cb -0.19 -3.64 0.15 0.00 -0.40 0.00 0.00 41.96 37.88 3hs6 s TYR 148 CO 0.20 -2.00 1.24 -0.08 -1.57 0.00 0.00 175.55 173.34 3hs6 s THR 149 N -1.27 2.02 -0.07 -0.71 -1.32 0.51 -4.51 115.64 110.29 3hs6 s THR 149 Ca 0.56 -0.05 -0.00 0.00 -1.21 0.00 0.00 61.69 60.99 3hs6 s THR 149 Cb -0.37 -2.97 0.02 0.00 -1.51 0.00 0.00 72.50 67.67 3hs6 s THR 149 CO 0.48 0.00 -0.04 -0.13 -2.21 0.00 0.00 174.62 172.72 3hs6 s ARG 150 N -5.72 0.99 0.34 7.08 1.81 0.47 -0.23 118.95 123.69 3hs6 s ARG 150 Ca 0.69 -0.09 0.14 0.00 -1.72 0.00 0.00 55.73 54.76 3hs6 s ARG 150 Cb -0.06 -1.13 0.58 0.00 -0.45 0.00 0.00 34.95 33.89 3hs6 s ARG 150 CO 0.51 -0.21 1.71 0.00 -0.68 0.00 0.00 175.30 176.63 3hs6 h ALA 151 N 7.87 1.07 -4.18 2.13 0.00 -1.96 -3.35 119.26 120.83 3hs6 h ALA 151 Ca -0.28 -0.43 -0.48 0.00 0.00 0.00 0.00 54.91 53.72 3hs6 h ALA 151 Cb 1.14 -0.07 -0.29 0.00 0.00 0.00 0.00 17.79 18.57 3hs6 h ALA 151 CO 0.37 0.58 -0.81 -0.51 0.00 0.00 0.00 179.25 178.89 3hs6 s LEU 152 N -7.52 2.03 0.62 0.00 1.43 -1.26 -5.04 118.68 108.95 3hs6 s LEU 152 Ca -0.01 -0.26 -0.19 0.00 -1.03 0.00 0.00 54.13 52.64 3hs6 s LEU 152 Cb 0.12 -0.72 -0.02 0.00 0.03 0.00 0.00 46.19 45.61 3hs6 s LEU 152 CO 0.72 0.17 1.27 -2.16 0.23 0.00 0.00 176.35 176.58 3hs6 s PRO 153 N -0.36 2.72 0.56 1.29 0.04 -1.26 -4.92 135.00 133.05 3hs6 s PRO 153 Ca 0.05 2.01 -0.20 0.00 0.04 0.00 0.00 61.00 62.90 3hs6 s PRO 153 Cb -0.05 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 3hs6 s PRO 153 CO -0.00 -1.45 1.17 -1.25 0.04 0.00 0.00 177.00 175.50 3hs6 s PRO 154 N -3.33 3.23 0.27 0.56 0.04 -1.26 -4.63 135.00 129.88 3hs6 s PRO 154 Ca 0.80 1.73 -0.31 0.00 0.04 0.00 0.00 61.00 63.27 3hs6 s PRO 154 Cb -0.36 -2.02 -0.12 0.00 0.04 0.00 0.00 34.50 32.05 3hs6 s PRO 154 CO 0.38 -0.97 1.60 0.28 0.04 0.00 0.00 177.00 178.33 3hs6 n VAL 155 N -1.33 0.81 -1.73 -0.36 0.31 -0.77 -4.87 118.33 110.38 3hs6 n VAL 155 Ca 0.12 -0.20 -0.39 0.00 -0.01 0.00 0.00 64.34 63.86 3hs6 n VAL 155 Cb 0.50 -1.90 0.04 0.00 -0.91 0.00 0.00 33.84 31.57 3hs6 n VAL 155 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hs6 n ALA 156 N 2.47 1.52 -0.20 3.52 0.00 -1.26 -4.90 120.51 121.66 3hs6 n ALA 156 Ca 0.10 0.15 0.18 0.00 0.00 0.00 0.00 53.44 53.88 3hs6 n ALA 156 Cb 0.36 -2.33 0.53 0.00 0.00 0.00 0.00 19.45 18.00 3hs6 n ALA 156 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3hs6 h ASP 157 N 1.55 0.36 -0.61 0.00 3.32 -2.01 -2.84 116.42 116.19 3hs6 h ASP 157 Ca -0.50 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3hs6 h ASP 157 Cb 1.30 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3hs6 h ASP 157 CO 0.57 0.16 0.00 -0.90 -1.72 0.00 0.00 179.24 177.36 3hs6 n ASP 158 N -4.47 3.89 -4.69 6.45 5.68 -1.26 -5.00 116.55 117.14 3hs6 n ASP 158 Ca 0.17 -2.13 -0.40 0.00 -0.50 0.00 0.00 54.79 51.93 3hs6 n ASP 158 Cb 0.64 -0.45 0.02 0.00 -1.14 0.00 0.00 41.12 40.19 3hs6 n ASP 158 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hs6 n PRO 160 N -0.30 0.12 -3.92 0.00 -0.04 -1.23 -4.72 135.00 124.91 3hs6 n PRO 160 Ca 0.08 0.37 -0.10 0.00 -0.04 0.00 0.00 63.50 63.80 3hs6 n PRO 160 Cb 0.42 -1.73 -0.12 0.00 -0.04 0.00 0.00 33.50 32.03 3hs6 n PRO 160 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3hs6 s THR 161 N -3.20 0.07 0.38 0.52 2.01 -1.05 -4.82 115.64 109.55 3hs6 s THR 161 Ca 0.05 -0.55 0.12 0.00 0.31 0.00 0.00 61.69 61.63 3hs6 s THR 161 Cb 0.09 -0.22 0.34 0.00 0.01 0.00 0.00 72.50 72.72 3hs6 s THR 161 CO 0.34 -0.30 1.87 -0.65 -0.69 0.00 0.00 174.62 175.19 3hs6 h PRO 162 N 5.10 0.55 -0.02 4.92 0.11 -1.78 -2.35 132.00 138.53 3hs6 h PRO 162 Ca -0.29 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3hs6 h PRO 162 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3hs6 h PRO 162 CO 0.43 0.37 -0.18 -1.33 -0.21 0.00 0.00 178.00 177.08 3hs6 n MET 163 N -4.54 1.67 0.00 1.05 2.81 -1.26 -4.94 117.12 111.91 3hs6 n MET 163 Ca 0.17 -1.28 0.00 0.00 -1.81 0.00 0.00 57.70 54.78 3hs6 n MET 163 Cb 0.54 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.57 3hs6 n MET 163 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hs6 n GLY 164 N 1.34 0.87 0.00 3.03 0.00 -0.88 -4.71 105.19 104.83 3hs6 n GLY 164 Ca 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3hs6 n GLY 164 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hs6 n VAL 165 N 0.00 0.00 -2.99 1.61 0.24 -1.25 -2.53 118.33 113.40 3hs6 n VAL 165 Ca 0.00 -0.16 -0.25 0.00 -2.04 0.00 0.00 64.34 61.89 3hs6 n VAL 165 Cb 0.00 0.64 -0.00 0.00 -1.47 0.00 0.00 33.84 33.01 3hs6 n VAL 165 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3hs6 s LYS 166 N -1.27 3.38 0.75 7.34 1.02 -1.26 -4.79 119.74 124.90 3hs6 s LYS 166 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 55.82 3hs6 s LYS 166 Cb 0.00 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.79 3hs6 s LYS 166 CO 0.00 -0.11 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 3hs6 n GLY 167 N -2.05 -2.14 3.94 -3.33 0.00 -1.26 -4.58 105.19 95.76 3hs6 n GLY 167 Ca -0.01 -1.51 -0.27 0.00 0.00 0.00 0.00 46.02 44.23 3hs6 n GLY 167 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hs6 s ASN 168 N -3.61 4.02 0.40 1.61 -0.87 -1.26 -4.98 114.94 110.25 3hs6 s ASN 168 Ca 0.00 0.28 0.09 0.00 -1.57 0.00 0.00 52.86 51.65 3hs6 s ASN 168 Cb 0.00 -0.62 0.82 0.00 -0.02 0.00 0.00 41.25 41.44 3hs6 s ASN 168 CO 0.00 -2.13 1.97 0.11 -2.57 0.00 0.00 177.10 174.47 3hs6 h LYS 169 N -1.06 0.33 -6.69 -0.60 6.56 -1.93 -3.40 116.57 109.78 3hs6 h LYS 169 Ca -0.43 -0.05 -0.69 0.00 -1.06 0.00 0.00 60.65 58.41 3hs6 h LYS 169 Cb 1.28 -0.06 -0.25 0.00 -0.57 0.00 0.00 32.23 32.63 3hs6 h LYS 169 CO 0.49 0.36 -0.86 -1.21 -2.06 0.00 0.00 179.45 176.17 3hs6 s GLU 170 N -4.98 1.89 0.64 3.15 2.02 -1.26 -4.35 118.70 115.80 3hs6 s GLU 170 Ca -0.06 -1.07 -0.15 0.00 0.02 0.00 0.00 54.97 53.71 3hs6 s GLU 170 Cb 0.16 -2.04 -0.01 0.00 0.10 0.00 0.00 34.13 32.33 3hs6 s GLU 170 CO 0.73 0.52 1.08 -0.51 0.02 0.00 0.00 175.26 177.11 3hs6 s LEU 171 N -1.28 3.41 0.60 1.80 1.43 -1.26 -5.01 118.68 118.37 3hs6 s LEU 171 Ca 0.12 1.89 -0.20 0.00 -1.03 0.00 0.00 54.13 54.92 3hs6 s LEU 171 Cb -0.10 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.55 3hs6 s LEU 171 CO 0.03 -1.43 1.33 -0.81 0.23 0.00 0.00 176.35 175.70 3hs6 n PRO 172 N -2.33 1.42 -1.60 1.29 -0.04 -1.26 -4.89 135.00 127.59 3hs6 n PRO 172 Ca 0.09 0.54 -0.52 0.00 -0.04 0.00 0.00 63.50 63.57 3hs6 n PRO 172 Cb 0.52 -2.56 -0.06 0.00 -0.04 0.00 0.00 33.50 31.36 3hs6 n PRO 172 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3hs6 n ASP 173 N -1.46 1.78 -0.29 3.54 2.03 -1.26 -4.87 116.55 116.02 3hs6 n ASP 173 Ca 0.13 1.11 -0.05 0.00 0.52 0.00 0.00 54.79 56.51 3hs6 n ASP 173 Cb 0.46 -1.21 0.09 0.00 -0.72 0.00 0.00 41.12 39.75 3hs6 n ASP 173 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3hs6 h SER 174 N 4.76 1.08 -0.86 1.67 4.64 -1.96 -1.91 113.55 120.97 3hs6 h SER 174 Ca -0.47 -0.15 0.13 0.00 -0.47 0.00 0.00 61.79 60.83 3hs6 h SER 174 Cb 1.33 -0.28 -0.09 0.00 -0.31 0.00 0.00 62.40 63.05 3hs6 h SER 174 CO 0.79 0.93 0.47 0.50 -0.87 0.00 0.00 176.83 178.65 3hs6 h LYS 175 N 1.16 0.67 -0.27 4.77 3.64 -1.94 0.13 116.57 124.73 3hs6 h LYS 175 Ca 0.27 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 3hs6 h LYS 175 Cb 0.17 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3hs6 h LYS 175 CO -0.03 0.45 -0.02 0.93 -2.27 0.00 0.00 179.45 178.50 3hs6 h GLU 176 N 0.69 0.50 -0.02 1.90 4.39 -1.74 -1.15 114.58 119.16 3hs6 h GLU 176 Ca 0.46 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.98 3hs6 h GLU 176 Cb 0.59 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 3hs6 h GLU 176 CO -0.33 0.68 0.01 0.28 -1.16 0.00 0.00 179.01 178.49 3hs6 h VAL 177 N 0.27 1.02 -0.21 3.13 2.07 -0.83 -1.39 116.25 120.31 3hs6 h VAL 177 Ca 0.07 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.60 3hs6 h VAL 177 Cb 0.47 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 3hs6 h VAL 177 CO 0.02 0.02 -0.26 0.25 0.02 0.00 0.00 177.57 177.62 3hs6 h LEU 178 N 0.01 -0.83 -0.46 2.57 5.85 -0.75 -2.74 115.31 118.96 3hs6 h LEU 178 Ca 0.01 0.14 -0.16 0.00 0.84 0.00 0.00 57.88 58.71 3hs6 h LEU 178 Cb 0.02 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3hs6 h LEU 178 CO -0.00 -0.30 -0.46 -0.33 -0.34 0.00 0.00 178.44 177.01 3hs6 h GLU 179 N -0.29 0.76 -0.07 1.25 5.08 -1.03 -1.30 114.58 118.97 3hs6 h GLU 179 Ca 0.13 -0.43 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 3hs6 h GLU 179 Cb 0.48 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3hs6 h GLU 179 CO -0.38 1.06 -0.16 0.87 -1.00 0.00 0.00 179.01 179.40 3hs6 h LYS 180 N 0.61 0.24 0.00 2.33 1.79 -1.25 -3.41 116.57 116.88 3hs6 h LYS 180 Ca 0.04 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 3hs6 h LYS 180 Cb 1.02 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 3hs6 h LYS 180 CO 0.10 0.76 0.00 1.33 -1.08 0.00 0.00 179.45 180.55 3hs6 n VAL 181 N -4.59 0.00 -0.05 0.50 0.24 -1.04 -4.87 118.33 108.53 3hs6 n VAL 181 Ca -0.08 -0.43 -0.07 0.00 -2.04 0.00 0.00 64.34 61.73 3hs6 n VAL 181 Cb 0.39 1.07 -0.04 0.00 -1.47 0.00 0.00 33.84 33.79 3hs6 n VAL 181 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3hs6 n LEU 182 N -0.44 2.88 -4.77 1.34 4.77 -0.71 -0.59 117.00 119.48 3hs6 n LEU 182 Ca 0.00 -0.04 -0.40 0.00 -0.03 0.00 0.00 56.01 55.54 3hs6 n LEU 182 Cb 0.02 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.76 3hs6 n LEU 182 CO 0.00 0.64 0.94 -0.76 -1.33 0.00 0.00 177.39 176.87 3hs6 s LEU 183 N -5.60 4.28 0.00 2.23 1.43 -0.57 -1.21 118.68 119.24 3hs6 s LEU 183 Ca -0.13 2.59 -0.30 0.00 -1.03 0.00 0.00 54.13 55.26 3hs6 s LEU 183 Cb 0.03 -3.85 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 3hs6 s LEU 183 CO 0.22 -0.71 1.17 -0.60 0.23 0.00 0.00 176.35 176.66 3hs6 s ARG 184 N -2.10 4.41 0.00 1.70 3.52 -0.04 -4.09 118.95 122.35 3hs6 s ARG 184 Ca 0.54 1.68 0.00 0.00 -0.13 0.00 0.00 55.73 57.82 3hs6 s ARG 184 Cb -0.37 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 29.57 3hs6 s ARG 184 CO 0.48 -0.31 0.00 0.54 -0.81 0.00 0.00 175.30 175.20 3hs6 n ARG 185 N 4.47 0.00 -2.29 5.12 3.00 -1.25 -4.81 116.66 120.90 3hs6 n ARG 185 Ca 0.09 0.00 -0.39 0.00 -0.01 0.00 0.00 57.85 57.55 3hs6 n ARG 185 Cb 0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 32.46 32.90 3hs6 n ARG 185 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 3hs6 s GLU 186 N 0.00 4.15 0.22 5.56 2.02 -1.26 -4.96 118.70 124.43 3hs6 s GLU 186 Ca 0.00 1.89 -0.32 0.00 0.02 0.00 0.00 54.97 56.56 3hs6 s GLU 186 Cb 0.00 -2.78 -0.12 0.00 0.10 0.00 0.00 34.13 31.33 3hs6 s GLU 186 CO 0.00 -0.25 1.67 0.34 0.02 0.00 0.00 175.26 177.04 3hs6 n PHE 187 N 0.28 2.68 -3.82 1.61 7.35 -1.26 -4.92 117.46 119.38 3hs6 n PHE 187 Ca 0.03 0.12 -0.36 0.00 -0.76 0.00 0.00 57.45 56.48 3hs6 n PHE 187 Cb 0.46 -2.64 -0.13 0.00 0.35 0.00 0.00 39.48 37.52 3hs6 n PHE 187 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3hs6 s ILE 188 N 0.90 3.36 0.62 -2.13 1.01 -1.26 -5.09 121.20 118.60 3hs6 s ILE 188 Ca 0.74 -1.39 -0.17 0.00 0.00 0.00 0.00 60.65 59.83 3hs6 s ILE 188 Cb -0.53 -2.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 3hs6 s ILE 188 CO 0.36 -0.23 1.12 -2.16 0.00 0.00 0.00 174.94 174.04 3hs6 s PRO 189 N 1.30 3.00 -0.16 2.79 0.04 -1.26 -0.89 135.00 139.82 3hs6 s PRO 189 Ca -0.02 1.49 -0.29 0.00 0.04 0.00 0.00 61.00 62.21 3hs6 s PRO 189 Cb -0.20 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 3hs6 s PRO 189 CO 0.00 -1.11 1.46 0.34 0.04 0.00 0.00 177.00 177.73 3hs6 s ASP 190 N -2.26 6.71 0.61 6.66 2.15 0.27 -4.10 116.67 126.72 3hs6 s ASP 190 Ca 0.69 1.78 0.38 0.00 0.43 0.00 0.00 52.55 55.84 3hs6 s ASP 190 Cb -0.22 -2.54 2.00 0.00 -0.30 0.00 0.00 42.92 41.86 3hs6 s ASP 190 CO 0.36 -0.95 2.24 1.55 -0.17 0.00 0.00 175.17 178.20 3hs6 h PRO 191 N 9.26 0.00 0.00 4.34 0.13 -1.88 -0.96 132.00 142.89 3hs6 h PRO 191 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3hs6 h PRO 191 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3hs6 h PRO 191 CO 0.98 0.02 0.00 1.04 -0.23 0.00 0.00 178.00 179.81 3hs6 n GLN 192 N -3.27 0.37 -1.00 0.86 6.02 -1.24 -4.94 117.38 114.17 3hs6 n GLN 192 Ca -0.02 0.01 -0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3hs6 n GLN 192 Cb 0.14 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.90 3hs6 n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hs6 n GLY 193 N 1.23 0.41 3.65 1.08 0.00 -0.37 -4.80 105.19 106.38 3hs6 n GLY 193 Ca 0.13 -0.94 -0.47 0.00 0.00 0.00 0.00 46.02 44.75 3hs6 n GLY 193 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hs6 n SER 194 N 1.69 2.60 -2.76 1.61 7.64 -1.26 0.21 113.62 123.36 3hs6 n SER 194 Ca -0.00 1.11 -0.05 0.00 1.01 0.00 0.00 58.87 60.94 3hs6 n SER 194 Cb 0.00 -1.37 0.01 0.00 -1.01 0.00 0.00 64.21 61.85 3hs6 n SER 194 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3hs6 n ASN 195 N 2.76 0.69 0.20 6.43 0.23 -0.79 0.43 115.26 125.21 3hs6 n ASN 195 Ca 0.15 -1.41 0.09 0.00 -0.53 0.00 0.00 54.58 52.88 3hs6 n ASN 195 Cb 0.28 -0.09 0.21 0.00 -2.08 0.00 0.00 39.78 38.09 3hs6 n ASN 195 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 3hs6 h MET 196 N 0.00 0.00 -0.70 -3.83 2.86 -0.36 -2.41 114.93 110.49 3hs6 h MET 196 Ca -0.07 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3hs6 h MET 196 Cb 0.32 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.95 3hs6 h MET 196 CO 0.11 0.19 0.46 0.52 1.06 0.00 0.00 176.91 179.25 3hs6 h MET 197 N 0.00 0.88 -0.02 1.72 2.86 -1.84 -1.71 114.93 116.82 3hs6 h MET 197 Ca -0.00 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 3hs6 h MET 197 Cb 1.04 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.51 3hs6 h MET 197 CO 0.02 0.58 -0.25 0.35 1.06 0.00 0.00 176.91 178.68 3hs6 h PHE 198 N 0.91 0.30 -0.38 -0.22 3.57 -1.75 -2.18 116.94 117.17 3hs6 h PHE 198 Ca 0.26 -0.14 0.05 0.00 3.53 0.00 0.00 57.97 61.67 3hs6 h PHE 198 Cb -0.05 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.61 3hs6 h PHE 198 CO -0.00 0.90 0.11 0.00 -2.23 0.00 0.00 178.31 177.09 3hs6 h ALA 199 N 0.33 0.44 0.00 2.41 0.00 -1.31 -0.01 119.26 121.12 3hs6 h ALA 199 Ca -0.02 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3hs6 h ALA 199 Cb 0.95 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3hs6 h ALA 199 CO 0.05 -0.28 -0.55 0.74 0.00 0.00 0.00 179.25 179.21 3hs6 h PHE 200 N 0.26 0.00 -0.22 0.00 0.04 -1.42 -1.88 116.94 113.71 3hs6 h PHE 200 Ca 0.18 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.91 3hs6 h PHE 200 Cb 0.18 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 3hs6 h PHE 200 CO -0.16 0.55 -0.03 0.35 -0.60 0.00 0.00 178.31 178.42 3hs6 h PHE 201 N 0.00 0.46 -0.40 -0.55 3.57 -0.88 0.13 116.94 119.28 3hs6 h PHE 201 Ca -0.01 -0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.47 3hs6 h PHE 201 Cb 1.17 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.74 3hs6 h PHE 201 CO 0.00 0.62 0.03 0.00 -2.23 0.00 0.00 178.31 176.73 3hs6 h ALA 202 N 0.77 0.39 -0.42 2.41 0.00 -0.92 0.29 119.26 121.78 3hs6 h ALA 202 Ca 0.06 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3hs6 h ALA 202 Cb 0.46 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3hs6 h ALA 202 CO 0.02 -0.37 0.00 0.37 0.00 0.00 0.00 179.25 179.27 3hs6 h GLN 203 N 0.14 0.74 0.23 0.00 4.15 -1.17 -1.86 115.11 117.33 3hs6 h GLN 203 Ca 0.19 -0.23 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 3hs6 h GLN 203 Cb 0.26 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.89 3hs6 h GLN 203 CO -0.30 0.82 -0.11 1.25 -1.93 0.00 0.00 178.83 178.56 3hs6 h HIS 204 N 0.58 -0.29 0.00 3.99 2.76 -0.36 -2.84 115.15 118.99 3hs6 h HIS 204 Ca 0.12 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 3hs6 h HIS 204 Cb 0.48 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.52 3hs6 h HIS 204 CO 0.04 -0.01 -0.07 0.35 -1.30 0.00 0.00 177.93 176.93 3hs6 h PHE 205 N -0.55 -0.18 0.00 5.26 3.57 -0.43 -3.09 116.94 121.52 3hs6 h PHE 205 Ca -0.03 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 3hs6 h PHE 205 Cb 0.40 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 3hs6 h PHE 205 CO 0.00 -0.11 -0.08 1.79 -2.23 0.00 0.00 178.31 177.69 3hs6 h THR 206 N -0.13 0.18 0.00 4.41 1.35 -1.42 -2.99 112.91 114.31 3hs6 h THR 206 Ca 0.03 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 3hs6 h THR 206 Cb 0.16 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3hs6 h THR 206 CO -0.07 0.07 0.00 1.41 -0.25 0.00 0.00 175.52 176.68 3hs6 n HIS 207 N -3.18 0.00 0.10 4.73 8.25 -1.07 -0.93 115.22 123.13 3hs6 n HIS 207 Ca 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.46 3hs6 n HIS 207 Cb 0.39 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.46 3hs6 n HIS 207 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 3hs6 h GLN 208 N 0.00 0.00 0.00 -0.41 3.07 -1.64 -3.40 115.11 112.72 3hs6 h GLN 208 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3hs6 h GLN 208 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 3hs6 h GLN 208 CO 0.00 0.64 -0.16 1.97 0.09 0.00 0.00 178.83 181.37 3hs6 n PHE 209 N -3.24 0.00 -3.48 0.06 1.16 -0.85 -4.77 117.46 106.34 3hs6 n PHE 209 Ca 0.00 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.15 3hs6 n PHE 209 Cb 0.81 -0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.63 3hs6 n PHE 209 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 3hs6 s PHE 210 N -1.26 3.57 -0.45 2.97 0.08 -0.10 -4.79 117.98 118.01 3hs6 s PHE 210 Ca 0.01 -2.15 0.08 0.00 0.12 0.00 0.00 56.93 54.98 3hs6 s PHE 210 Cb 0.02 -3.58 0.26 0.00 -0.57 0.00 0.00 43.02 39.14 3hs6 s PHE 210 CO 0.10 -0.95 0.60 1.63 -0.10 0.00 0.00 175.22 176.50 3hs6 n LYS 211 N 4.03 1.18 -1.69 0.44 5.02 -1.26 -4.65 118.16 121.23 3hs6 n LYS 211 Ca 0.07 -3.58 -0.44 0.00 -2.02 0.00 0.00 58.31 52.34 3hs6 n LYS 211 Cb 0.43 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.90 3hs6 n LYS 211 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3hs6 n THR 212 N 1.16 0.06 -2.64 -0.18 -1.04 -1.26 -0.54 114.28 109.84 3hs6 n THR 212 Ca 0.23 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.82 3hs6 n THR 212 Cb 0.51 -1.76 -0.03 0.00 -1.82 0.00 0.00 70.33 67.24 3hs6 n THR 212 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3hs6 s ASP 213 N 1.32 6.42 0.51 8.00 -1.08 0.86 -4.79 116.67 127.90 3hs6 s ASP 213 Ca 0.79 -1.28 0.29 0.00 -0.52 0.00 0.00 52.55 51.82 3hs6 s ASP 213 Cb -0.60 -2.53 1.28 0.00 -1.46 0.00 0.00 42.92 39.61 3hs6 s ASP 213 CO 0.37 -1.51 1.97 0.45 0.52 0.00 0.00 175.17 176.97 3hs6 h HIS 214 N 9.68 0.00 -0.43 -5.34 3.86 -1.86 0.22 115.15 121.28 3hs6 h HIS 214 Ca 0.05 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 3hs6 h HIS 214 Cb 1.03 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.48 3hs6 h HIS 214 CO 1.20 0.13 0.23 0.87 0.86 0.00 0.00 177.93 181.22 3hs6 h LYS 215 N 0.00 0.61 0.15 2.45 6.56 -1.98 -3.31 116.57 121.05 3hs6 h LYS 215 Ca -0.00 -0.08 -0.33 0.00 -1.06 0.00 0.00 60.65 59.18 3hs6 h LYS 215 Cb 0.52 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.07 3hs6 h LYS 215 CO 0.02 0.50 -1.69 0.00 -2.06 0.00 0.00 179.45 176.22 3hs6 h ARG 216 N 0.56 0.33 0.00 3.15 3.08 -1.78 -3.51 114.38 116.21 3hs6 h ARG 216 Ca 0.15 -0.56 0.00 0.00 0.07 0.00 0.00 59.98 59.65 3hs6 h ARG 216 Cb 0.07 0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3hs6 h ARG 216 CO -0.02 1.22 0.00 0.41 -1.07 0.00 0.00 179.97 180.50 3hs6 n GLY 217 N 1.79 3.59 0.17 0.04 0.00 0.00 -4.93 105.19 105.85 3hs6 n GLY 217 Ca -0.22 -1.68 0.13 0.00 0.00 0.00 0.00 46.02 44.25 3hs6 n GLY 217 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hs6 h PRO 218 N 0.00 0.00 -0.05 1.61 0.13 -1.91 -1.74 132.00 130.05 3hs6 h PRO 218 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3hs6 h PRO 218 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3hs6 h PRO 218 CO 0.00 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.18 3hs6 n GLY 219 N -0.51 -0.51 3.33 1.56 0.00 -1.26 -4.90 105.19 102.91 3hs6 n GLY 219 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 3hs6 n GLY 219 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hs6 s PHE 220 N -1.93 2.32 0.19 1.61 0.08 -0.65 -1.53 117.98 118.07 3hs6 s PHE 220 Ca 0.33 -0.42 0.11 0.00 0.12 0.00 0.00 56.93 57.06 3hs6 s PHE 220 Cb 0.16 -1.43 -0.04 0.00 -0.57 0.00 0.00 43.02 41.14 3hs6 s PHE 220 CO 0.26 0.07 -0.23 -0.08 -0.10 0.00 0.00 175.22 175.14 3hs6 s THR 221 N -0.74 2.26 -1.25 0.64 -1.32 0.67 -0.10 115.64 115.80 3hs6 s THR 221 Ca 0.11 -2.03 0.15 0.00 -1.21 0.00 0.00 61.69 58.72 3hs6 s THR 221 Cb -0.10 -2.08 -0.04 0.00 -1.51 0.00 0.00 72.50 68.77 3hs6 s THR 221 CO 0.01 -0.16 0.79 0.54 -2.21 0.00 0.00 174.62 173.59 3hs6 n ARG 222 N 0.23 1.80 -2.80 7.08 1.74 0.30 -4.67 116.66 120.34 3hs6 n ARG 222 Ca -0.12 -0.60 -0.44 0.00 -0.77 0.00 0.00 57.85 55.92 3hs6 n ARG 222 Cb 0.56 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 3hs6 n ARG 222 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hs6 n GLY 223 N 1.19 3.10 0.02 -0.13 0.00 -1.26 -4.82 105.19 103.28 3hs6 n GLY 223 Ca 0.06 -1.81 0.11 0.00 0.00 0.00 0.00 46.02 44.38 3hs6 n GLY 223 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hs6 n LEU 224 N 6.64 0.13 0.19 0.99 4.77 -1.26 -1.69 117.00 126.76 3hs6 n LEU 224 Ca 0.41 0.52 0.13 0.00 -0.03 0.00 0.00 56.01 57.05 3hs6 n LEU 224 Cb 0.44 -0.49 0.35 0.00 -2.33 0.00 0.00 43.42 41.39 3hs6 n LEU 224 CO 0.68 -0.16 0.87 1.23 -1.33 0.00 0.00 177.39 178.68 3hs6 h GLY 225 N 3.79 0.00 -6.22 -0.72 0.00 -1.94 -3.48 103.07 94.51 3hs6 h GLY 225 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 3hs6 h GLY 225 CO 0.00 0.00 -0.77 1.42 0.00 0.00 0.00 176.54 177.19 3hs6 n HIS 226 N -2.76 -2.26 -0.50 5.60 8.25 -0.68 -4.82 115.22 118.05 3hs6 n HIS 226 Ca 0.04 0.90 0.00 0.00 -0.26 0.00 0.00 57.72 58.40 3hs6 n HIS 226 Cb 0.44 -4.16 0.00 0.00 1.12 0.00 0.00 29.99 27.38 3hs6 n HIS 226 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hs6 n GLY 227 N -1.69 -0.56 3.41 -1.41 0.00 -1.26 -4.33 105.19 99.35 3hs6 n GLY 227 Ca -0.04 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 3hs6 n GLY 227 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hs6 n VAL 228 N 6.90 4.09 0.75 1.61 0.31 -1.26 -4.54 118.33 126.18 3hs6 n VAL 228 Ca 0.00 -4.34 0.08 0.00 -0.01 0.00 0.00 64.34 60.06 3hs6 n VAL 228 Cb 0.00 -2.42 -0.05 0.00 -0.91 0.00 0.00 33.84 30.46 3hs6 n VAL 228 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3hs6 n ASP 229 N 6.59 1.15 -1.81 4.52 5.68 -1.26 -4.97 116.55 126.44 3hs6 n ASP 229 Ca 0.43 -1.07 -0.16 0.00 -0.50 0.00 0.00 54.79 53.49 3hs6 n ASP 229 Cb 0.43 0.77 -0.01 0.00 -1.14 0.00 0.00 41.12 41.18 3hs6 n ASP 229 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3hs6 n LEU 230 N -0.83 -1.75 0.31 -2.12 4.32 -1.26 -4.91 117.00 110.77 3hs6 n LEU 230 Ca 0.05 -0.02 0.19 0.00 -0.02 0.00 0.00 56.01 56.20 3hs6 n LEU 230 Cb 0.29 -2.33 1.04 0.00 -1.62 0.00 0.00 43.42 40.80 3hs6 n LEU 230 CO 0.27 -0.15 1.14 -0.55 -1.22 0.00 0.00 177.39 176.89 3hs6 h ASN 231 N -0.05 0.00 0.80 -1.43 7.08 -1.89 -0.50 115.58 119.60 3hs6 h ASN 231 Ca -0.37 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.85 3hs6 h ASN 231 Cb 1.28 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.52 3hs6 h ASN 231 CO 0.44 0.01 0.00 0.00 -2.08 0.00 0.00 177.43 175.80 3hs6 n HIS 232 N -3.47 0.76 -0.10 4.14 1.44 -1.26 0.10 115.22 116.83 3hs6 n HIS 232 Ca -0.03 0.29 -0.15 0.00 -2.01 0.00 0.00 57.72 55.82 3hs6 n HIS 232 Cb 0.09 -0.97 -0.09 0.00 0.12 0.00 0.00 29.99 29.14 3hs6 n HIS 232 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3hs6 n ILE 233 N -2.19 1.18 0.52 0.61 5.41 -0.31 -1.70 119.36 122.88 3hs6 n ILE 233 Ca 0.03 -0.43 0.08 0.00 1.00 0.00 0.00 62.75 63.43 3hs6 n ILE 233 Cb 0.25 -1.30 -0.11 0.00 -0.71 0.00 0.00 39.64 37.77 3hs6 n ILE 233 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3hs6 n TYR 234 N -3.22 0.00 0.00 1.39 4.01 -0.51 -3.34 117.16 115.50 3hs6 n TYR 234 Ca -0.37 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.37 3hs6 n TYR 234 Cb 0.88 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.77 3hs6 n TYR 234 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hs6 n GLY 235 N 1.44 0.56 0.27 2.72 0.00 0.29 -3.19 105.19 107.28 3hs6 n GLY 235 Ca 0.01 -1.46 -0.02 0.00 0.00 0.00 0.00 46.02 44.56 3hs6 n GLY 235 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hs6 h GLU 236 N 0.00 0.60 -6.32 1.61 4.57 -1.79 -3.43 114.58 109.82 3hs6 h GLU 236 Ca 0.00 -0.14 -0.59 0.00 -1.18 0.00 0.00 59.36 57.44 3hs6 h GLU 236 Cb 0.00 -0.08 -0.12 0.00 -0.16 0.00 0.00 28.75 28.39 3hs6 h GLU 236 CO 0.00 0.63 -0.69 0.95 -1.18 0.00 0.00 179.01 178.73 3hs6 s THR 237 N -4.95 3.30 0.37 0.32 -4.23 -1.26 -5.03 115.64 104.16 3hs6 s THR 237 Ca -0.08 -1.78 0.06 0.00 -1.18 0.00 0.00 61.69 58.70 3hs6 s THR 237 Cb 0.15 -2.70 0.20 0.00 1.34 0.00 0.00 72.50 71.49 3hs6 s THR 237 CO 0.78 -0.24 1.95 0.25 -0.54 0.00 0.00 174.62 176.83 3hs6 h LEU 238 N 2.43 0.46 0.05 4.79 5.85 -1.94 -0.95 115.31 125.99 3hs6 h LEU 238 Ca -0.45 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.23 3hs6 h LEU 238 Cb 1.23 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 3hs6 h LEU 238 CO 0.57 0.46 -0.15 0.44 -0.34 0.00 0.00 178.44 179.42 3hs6 h ASP 239 N 0.50 -0.43 -0.21 1.25 5.19 -1.98 -0.51 116.42 120.23 3hs6 h ASP 239 Ca 0.12 0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.59 3hs6 h ASP 239 Cb 0.18 0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 3hs6 h ASP 239 CO -0.01 -0.22 0.13 -0.09 -3.12 0.00 0.00 179.24 175.94 3hs6 h ARG 240 N -0.28 0.28 -0.30 3.56 2.43 -1.78 -1.89 114.38 116.40 3hs6 h ARG 240 Ca 0.04 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 3hs6 h ARG 240 Cb 0.32 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.74 3hs6 h ARG 240 CO -0.11 0.22 -0.15 0.37 -1.51 0.00 0.00 179.97 178.79 3hs6 h GLN 241 N 0.26 -0.11 -0.04 0.20 4.15 -1.11 -1.69 115.11 116.78 3hs6 h GLN 241 Ca 0.07 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.46 3hs6 h GLN 241 Cb 0.01 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 3hs6 h GLN 241 CO -0.01 -0.07 -0.15 0.45 -1.93 0.00 0.00 178.83 177.11 3hs6 h HIS 242 N -0.11 0.06 0.00 3.99 3.86 -0.82 -0.42 115.15 121.71 3hs6 h HIS 242 Ca 0.16 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.31 3hs6 h HIS 242 Cb 0.35 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 3hs6 h HIS 242 CO -0.35 0.21 -0.24 0.87 0.86 0.00 0.00 177.93 179.28 3hs6 h LYS 243 N 0.05 0.00 0.00 2.45 1.57 -0.79 -3.24 116.57 116.61 3hs6 h LYS 243 Ca 0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3hs6 h LYS 243 Cb 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 3hs6 h LYS 243 CO 0.02 0.24 -0.93 -0.07 -0.57 0.00 0.00 179.45 178.15 3hs6 h LEU 244 N 0.00 0.00 -9.92 2.94 3.38 -0.24 -3.44 115.31 108.02 3hs6 h LEU 244 Ca -0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 3hs6 h LEU 244 Cb 0.99 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 3hs6 h LEU 244 CO 0.03 0.02 0.19 -0.13 0.09 0.00 0.00 178.44 178.64 3hs6 s ARG 245 N -3.34 4.27 0.11 1.13 0.52 -0.33 -0.53 118.95 120.78 3hs6 s ARG 245 Ca 0.00 0.96 0.08 0.00 -0.52 0.00 0.00 55.73 56.25 3hs6 s ARG 245 Cb 0.09 -2.67 -0.19 0.00 0.52 0.00 0.00 34.95 32.70 3hs6 s ARG 245 CO 0.78 0.26 1.21 1.25 0.02 0.00 0.00 175.30 178.82 3hs6 h LEU 246 N 2.90 0.00 0.54 2.53 5.85 -1.39 -3.41 115.31 122.33 3hs6 h LEU 246 Ca -0.48 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.01 3hs6 h LEU 246 Cb 1.19 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.13 3hs6 h LEU 246 CO 0.65 0.96 -0.21 0.49 -0.34 0.00 0.00 178.44 179.98 3hs6 n PHE 247 N -3.30 0.00 -4.44 1.25 3.72 -1.26 -5.00 117.46 108.43 3hs6 n PHE 247 Ca -0.02 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.14 3hs6 n PHE 247 Cb 0.94 -2.25 -0.17 0.00 -0.94 0.00 0.00 39.48 37.06 3hs6 n PHE 247 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3hs6 s LYS 248 N -2.84 1.53 -1.82 -1.08 2.20 -1.26 -4.86 119.74 111.61 3hs6 s LYS 248 Ca 0.00 -0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.27 3hs6 s LYS 248 Cb 0.00 -1.32 0.00 0.00 -1.51 0.00 0.00 37.83 35.00 3hs6 s LYS 248 CO 0.00 -0.02 0.00 -0.25 -0.36 0.00 0.00 175.35 174.72 3hs6 n ASP 249 N 3.97 -5.10 0.00 1.43 8.00 -1.26 -2.02 116.55 121.57 3hs6 n ASP 249 Ca -0.22 0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.67 3hs6 n ASP 249 Cb 0.51 -4.14 0.00 0.00 -0.02 0.00 0.00 41.12 37.48 3hs6 n ASP 249 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hs6 n GLY 250 N -0.85 0.57 3.92 0.44 0.00 -1.23 -4.74 105.19 103.30 3hs6 n GLY 250 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 3hs6 n GLY 250 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hs6 s LYS 251 N -0.25 3.13 0.16 1.61 1.02 -0.86 -3.93 119.74 120.62 3hs6 s LYS 251 Ca 0.00 -0.09 -0.08 0.00 0.02 0.00 0.00 55.97 55.82 3hs6 s LYS 251 Cb 0.00 -2.39 -0.06 0.00 -0.52 0.00 0.00 37.83 34.86 3hs6 s LYS 251 CO 0.00 -0.44 0.45 -0.51 -0.92 0.00 0.00 175.35 173.93 3hs6 s LEU 252 N -4.79 4.26 0.80 3.17 1.43 -1.26 -1.16 118.68 121.13 3hs6 s LEU 252 Ca 0.50 0.78 -0.14 0.00 -1.03 0.00 0.00 54.13 54.25 3hs6 s LEU 252 Cb -0.10 -3.35 0.07 0.00 0.03 0.00 0.00 46.19 42.84 3hs6 s LEU 252 CO 0.43 0.04 1.13 0.29 0.23 0.00 0.00 176.35 178.47 3hs6 n LYS 253 N 0.26 0.20 -3.81 1.70 5.02 0.31 -4.60 118.16 117.25 3hs6 n LYS 253 Ca -0.03 0.14 -0.05 0.00 -2.02 0.00 0.00 58.31 56.35 3hs6 n LYS 253 Cb 0.52 -2.38 -0.00 0.00 -0.02 0.00 0.00 35.03 33.15 3hs6 n LYS 253 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 3hs6 s TYR 254 N -2.10 -0.07 0.11 2.13 -0.85 -1.26 -4.23 117.35 111.09 3hs6 s TYR 254 Ca 0.73 -0.36 0.03 0.00 -0.52 0.00 0.00 57.07 56.94 3hs6 s TYR 254 Cb -0.30 0.70 -0.04 0.00 0.38 0.00 0.00 41.96 42.71 3hs6 s TYR 254 CO 0.52 -1.08 -0.08 1.14 -1.52 0.00 0.00 175.55 174.52 3hs6 s GLN 255 N -3.09 0.89 -0.24 -3.49 -2.07 0.71 -4.65 119.66 107.72 3hs6 s GLN 255 Ca 0.14 -1.32 -0.02 0.00 -1.82 0.00 0.00 55.36 52.34 3hs6 s GLN 255 Cb -0.03 -0.38 0.02 0.00 -1.09 0.00 0.00 33.01 31.52 3hs6 s GLN 255 CO 0.06 0.03 -0.05 0.08 -1.32 0.00 0.00 175.29 174.08 3hs6 s VAL 256 N -3.25 2.99 -0.20 3.63 1.01 -1.26 -0.35 120.40 122.98 3hs6 s VAL 256 Ca 0.11 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3hs6 s VAL 256 Cb 0.03 -2.49 0.03 0.00 0.00 0.00 0.00 36.38 33.95 3hs6 s VAL 256 CO -0.02 0.24 -0.17 -0.63 0.00 0.00 0.00 175.10 174.52 3hs6 s ILE 257 N 1.36 2.03 -1.44 2.22 1.01 -0.13 -4.70 121.20 121.55 3hs6 s ILE 257 Ca 0.01 -1.10 -0.09 0.00 0.00 0.00 0.00 60.65 59.47 3hs6 s ILE 257 Cb -0.16 -1.93 0.03 0.00 0.01 0.00 0.00 42.46 40.41 3hs6 s ILE 257 CO -0.04 0.36 0.96 0.61 0.00 0.00 0.00 174.94 176.84 3hs6 n GLY 258 N 4.59 -0.53 3.04 6.18 0.00 -1.26 -1.35 105.19 115.86 3hs6 n GLY 258 Ca -0.19 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3hs6 n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hs6 n GLY 259 N -1.78 0.62 3.80 -0.02 0.00 -1.26 -5.01 105.19 101.53 3hs6 n GLY 259 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3hs6 n GLY 259 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hs6 s GLU 260 N -0.37 3.30 -0.25 1.61 0.41 -0.46 -5.07 118.70 117.87 3hs6 s GLU 260 Ca 0.00 -0.24 -0.25 0.00 -0.41 0.00 0.00 54.97 54.07 3hs6 s GLU 260 Cb 0.00 -3.05 -0.00 0.00 -1.78 0.00 0.00 34.13 29.30 3hs6 s GLU 260 CO 0.00 0.73 0.87 0.08 -0.49 0.00 0.00 175.26 176.45 3hs6 s VAL 261 N -0.91 4.80 0.24 2.63 1.01 -1.26 -0.95 120.40 125.96 3hs6 s VAL 261 Ca 0.14 1.62 0.08 0.00 0.00 0.00 0.00 61.98 63.82 3hs6 s VAL 261 Cb -0.12 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 3hs6 s VAL 261 CO 0.03 -0.12 -0.13 -0.31 0.00 0.00 0.00 175.10 174.57 3hs6 s TYR 262 N 2.94 1.91 0.77 5.22 2.02 0.53 -4.97 117.35 125.76 3hs6 s TYR 262 Ca 0.36 -0.56 -0.14 0.00 -0.37 0.00 0.00 57.07 56.36 3hs6 s TYR 262 Cb -0.15 -0.94 0.06 0.00 -0.40 0.00 0.00 41.96 40.53 3hs6 s TYR 262 CO 0.08 0.41 1.21 -2.14 -1.57 0.00 0.00 175.55 173.54 3hs6 s PRO 263 N -3.64 1.89 1.12 -1.71 0.02 -1.26 -0.21 135.00 131.22 3hs6 s PRO 263 Ca 0.26 1.78 -0.18 0.00 0.02 0.00 0.00 61.00 62.88 3hs6 s PRO 263 Cb -0.00 -1.80 0.26 0.00 0.02 0.00 0.00 34.50 32.97 3hs6 s PRO 263 CO 0.10 -2.03 1.17 -1.25 -0.33 0.00 0.00 177.00 174.67 3hs6 s PRO 264 N -4.00 -0.61 0.37 5.54 0.04 -1.26 -4.30 135.00 130.78 3hs6 s PRO 264 Ca 0.74 -0.16 0.04 0.00 0.04 0.00 0.00 61.00 61.66 3hs6 s PRO 264 Cb -0.29 -1.68 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 3hs6 s PRO 264 CO 0.48 -3.29 0.54 0.95 0.04 0.00 0.00 177.00 175.72 3hs6 s THR 265 N -3.28 4.13 0.18 1.26 -4.23 -1.26 0.11 115.64 112.55 3hs6 s THR 265 Ca 0.72 -0.80 -0.14 0.00 -1.18 0.00 0.00 61.69 60.30 3hs6 s THR 265 Cb -0.08 -3.47 0.07 0.00 1.34 0.00 0.00 72.50 70.36 3hs6 s THR 265 CO 0.55 -0.24 1.83 0.58 -0.54 0.00 0.00 174.62 176.80 3hs6 h VAL 266 N 0.71 1.10 -0.84 2.29 2.07 -1.28 -1.83 116.25 118.48 3hs6 h VAL 266 Ca -0.46 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 66.85 3hs6 h VAL 266 Cb 1.25 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 3hs6 h VAL 266 CO 0.55 0.13 0.54 0.50 0.02 0.00 0.00 177.57 179.31 3hs6 h LYS 267 N 0.69 1.02 -0.21 1.57 1.63 -1.87 0.62 116.57 120.03 3hs6 h LYS 267 Ca 0.21 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.91 3hs6 h LYS 267 Cb -0.04 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.36 3hs6 h LYS 267 CO -0.07 0.67 0.01 0.22 -3.45 0.00 0.00 179.45 176.84 3hs6 h ASP 268 N 1.05 0.35 0.27 4.20 3.58 -1.90 -3.35 116.42 120.62 3hs6 h ASP 268 Ca 0.33 -0.30 -0.18 0.00 0.42 0.00 0.00 57.03 57.30 3hs6 h ASP 268 Cb 0.00 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 3hs6 h ASP 268 CO -0.11 0.56 -1.90 0.35 -2.88 0.00 0.00 179.24 175.26 3hs6 n THR 269 N -4.69 0.91 -2.41 2.25 -2.24 -0.71 -4.99 114.28 102.40 3hs6 n THR 269 Ca -0.04 -0.69 -0.13 0.00 -2.27 0.00 0.00 64.05 60.92 3hs6 n THR 269 Cb 0.22 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 3hs6 n THR 269 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hs6 n GLN 270 N -2.66 -1.72 -3.55 -0.78 1.13 0.22 -4.86 117.38 105.17 3hs6 n GLN 270 Ca -0.16 0.59 -0.37 0.00 -1.94 0.00 0.00 57.00 55.13 3hs6 n GLN 270 Cb 0.86 -4.77 -0.08 0.00 0.11 0.00 0.00 30.24 26.36 3hs6 n GLN 270 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3hs6 s VAL 271 N -2.74 5.30 0.14 5.09 1.01 -1.24 -5.05 120.40 122.91 3hs6 s VAL 271 Ca 0.07 0.42 -0.31 0.00 0.00 0.00 0.00 61.98 62.15 3hs6 s VAL 271 Cb -0.03 -3.60 -0.10 0.00 0.00 0.00 0.00 36.38 32.66 3hs6 s VAL 271 CO 0.08 0.32 1.57 -1.61 0.00 0.00 0.00 175.10 175.46 3hs6 s GLU 272 N 1.06 4.22 0.10 2.72 2.02 -1.26 -4.72 118.70 122.85 3hs6 s GLU 272 Ca 0.13 2.33 0.04 0.00 0.02 0.00 0.00 54.97 57.49 3hs6 s GLU 272 Cb -0.14 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 3hs6 s GLU 272 CO 0.05 -0.61 -0.12 -1.64 0.02 0.00 0.00 175.26 172.96 3hs6 s MET 273 N 1.38 0.89 -0.54 1.61 -1.94 -1.26 -4.70 119.30 114.74 3hs6 s MET 273 Ca 0.70 -1.16 -0.22 0.00 -1.71 0.00 0.00 55.69 53.30 3hs6 s MET 273 Cb -0.43 -0.67 0.05 0.00 2.01 0.00 0.00 34.83 35.79 3hs6 s MET 273 CO 0.31 0.12 0.83 0.42 -0.01 0.00 0.00 175.02 176.69 3hs6 s ILE 274 N -2.22 4.57 -0.01 2.53 -1.09 -0.51 -5.03 121.20 119.44 3hs6 s ILE 274 Ca 0.05 -0.05 0.01 0.00 -2.23 0.00 0.00 60.65 58.43 3hs6 s ILE 274 Cb -0.04 -4.46 0.01 0.00 -1.58 0.00 0.00 42.46 36.39 3hs6 s ILE 274 CO 0.01 -1.02 -0.01 -0.31 -1.23 0.00 0.00 174.94 172.38 3hs6 s TYR 275 N 3.46 0.25 0.67 3.97 1.51 -1.26 -4.64 117.35 121.32 3hs6 s TYR 275 Ca 0.24 -0.02 -0.17 0.00 -1.01 0.00 0.00 57.07 56.11 3hs6 s TYR 275 Cb -0.15 -0.25 0.00 0.00 -0.11 0.00 0.00 41.96 41.45 3hs6 s TYR 275 CO 0.16 -0.06 1.28 -1.25 -1.11 0.00 0.00 175.55 174.57 3hs6 s PRO 276 N 0.40 2.45 0.51 -1.71 0.04 -1.26 -4.89 135.00 130.54 3hs6 s PRO 276 Ca -0.04 2.01 0.20 0.00 0.04 0.00 0.00 61.00 63.21 3hs6 s PRO 276 Cb -0.06 -1.84 1.30 0.00 0.04 0.00 0.00 34.50 33.93 3hs6 s PRO 276 CO -0.01 -1.66 2.06 -1.35 0.04 0.00 0.00 177.00 176.08 3hs6 h PRO 277 N 0.36 0.05 0.00 0.56 0.11 -2.03 -2.26 132.00 128.79 3hs6 h PRO 277 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3hs6 h PRO 277 Cb 1.33 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3hs6 h PRO 277 CO 0.52 0.03 0.00 -2.39 -0.21 0.00 0.00 178.00 175.96 3hs6 n HIS 278 N -4.45 0.00 -2.37 0.65 1.44 -1.26 -4.76 115.22 104.46 3hs6 n HIS 278 Ca 0.04 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.33 3hs6 n HIS 278 Cb 0.36 -0.38 -0.02 0.00 0.12 0.00 0.00 29.99 30.07 3hs6 n HIS 278 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3hs6 s ILE 279 N -2.76 4.14 0.59 0.61 -1.09 -0.85 -4.99 121.20 116.84 3hs6 s ILE 279 Ca 0.16 1.42 -0.18 0.00 -2.23 0.00 0.00 60.65 59.81 3hs6 s ILE 279 Cb 0.14 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 3hs6 s ILE 279 CO 0.35 -0.08 1.15 -2.16 -1.23 0.00 0.00 174.94 172.97 3hs6 s PRO 280 N 3.15 3.08 0.23 2.79 0.04 -1.26 -4.88 135.00 138.15 3hs6 s PRO 280 Ca 0.58 1.64 -0.14 0.00 0.04 0.00 0.00 61.00 63.12 3hs6 s PRO 280 Cb -0.25 -1.96 0.28 0.00 0.04 0.00 0.00 34.50 32.61 3hs6 s PRO 280 CO 0.19 -1.07 1.44 -1.91 0.04 0.00 0.00 177.00 175.69 3hs6 n GLU 281 N -1.65 -0.18 0.17 4.56 2.13 -1.26 -0.69 120.64 123.71 3hs6 n GLU 281 Ca 0.12 1.43 0.13 0.00 0.66 0.00 0.00 57.16 59.50 3hs6 n GLU 281 Cb 0.51 -2.13 0.56 0.00 0.27 0.00 0.00 31.44 30.65 3hs6 n GLU 281 CO 0.00 0.00 0.00 -2.95 -0.41 0.00 0.00 177.13 173.77 3hs6 h ASN 282 N 0.00 0.00 -0.53 4.31 -1.07 -2.04 -2.68 115.58 113.58 3hs6 h ASN 282 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.72 3hs6 h ASN 282 Cb 0.59 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.84 3hs6 h ASN 282 CO -0.93 0.00 0.00 0.18 0.07 0.00 0.00 177.43 176.75 3hs6 n LEU 283 N -2.42 4.20 -4.23 6.14 4.77 0.13 -4.70 117.00 120.89 3hs6 n LEU 283 Ca 0.01 -2.42 -0.43 0.00 -0.03 0.00 0.00 56.01 53.14 3hs6 n LEU 283 Cb 0.22 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.80 3hs6 n LEU 283 CO 0.20 0.78 0.77 0.00 -1.33 0.00 0.00 177.39 177.82 3hs6 n GLN 284 N 0.76 3.56 -2.20 3.23 6.02 -1.01 -4.85 117.38 122.89 3hs6 n GLN 284 Ca 0.22 -4.48 -0.41 0.00 -0.01 0.00 0.00 57.00 52.31 3hs6 n GLN 284 Cb 0.78 -2.52 -0.03 0.00 1.02 0.00 0.00 30.24 29.49 3hs6 n GLN 284 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3hs6 s PHE 285 N -1.60 3.23 -0.32 1.08 0.08 -1.26 -0.86 117.98 118.34 3hs6 s PHE 285 Ca 0.31 1.23 -0.12 0.00 0.12 0.00 0.00 56.93 58.47 3hs6 s PHE 285 Cb -0.07 -3.61 -0.03 0.00 -0.57 0.00 0.00 43.02 38.74 3hs6 s PHE 285 CO -0.05 -1.90 0.23 0.00 -0.10 0.00 0.00 175.22 173.40 3hs6 s ALA 286 N -0.02 3.52 0.26 5.36 0.00 0.12 -4.74 121.76 126.26 3hs6 s ALA 286 Ca 0.56 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 51.28 3hs6 s ALA 286 Cb -0.37 -2.61 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 3hs6 s ALA 286 CO 0.40 -0.83 0.05 0.14 0.00 0.00 0.00 175.76 175.52 3hs6 s VAL 287 N 1.75 0.90 0.26 0.00 -7.23 -1.26 -4.19 120.40 110.63 3hs6 s VAL 287 Ca 0.07 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 3hs6 s VAL 287 Cb -0.17 -2.57 0.25 0.00 0.56 0.00 0.00 36.38 34.46 3hs6 s VAL 287 CO 0.11 -0.13 1.70 1.23 -0.31 0.00 0.00 175.10 177.70 3hs6 h GLY 288 N 2.35 1.25 -6.86 2.32 0.00 -1.52 -3.38 103.07 97.22 3hs6 h GLY 288 Ca -0.39 -0.11 -0.61 0.00 0.00 0.00 0.00 47.33 46.22 3hs6 h GLY 288 CO 0.65 -0.20 -0.29 1.62 0.00 0.00 0.00 176.54 178.31 3hs6 s GLN 289 N -5.98 4.10 0.58 4.80 -0.44 -0.69 -4.19 119.66 117.84 3hs6 s GLN 289 Ca -0.12 0.03 0.35 0.00 -2.50 0.00 0.00 55.36 53.12 3hs6 s GLN 289 Cb 0.23 -3.58 1.78 0.00 -1.64 0.00 0.00 33.01 29.80 3hs6 s GLN 289 CO 0.77 -0.09 2.16 1.05 0.50 0.00 0.00 175.29 179.67 3hs6 h GLU 290 N 7.67 0.00 -0.01 1.67 4.11 -1.84 -2.77 114.58 123.41 3hs6 h GLU 290 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.08 3hs6 h GLU 290 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3hs6 h GLU 290 CO 0.68 0.04 -0.07 1.33 0.07 0.00 0.00 179.01 181.06 3hs6 n VAL 291 N -3.31 0.00 0.66 -1.06 0.24 -1.26 -1.43 118.33 112.17 3hs6 n VAL 291 Ca -0.02 -0.24 0.09 0.00 -2.04 0.00 0.00 64.34 62.13 3hs6 n VAL 291 Cb 0.19 0.56 0.39 0.00 -1.47 0.00 0.00 33.84 33.52 3hs6 n VAL 291 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3hs6 n PHE 292 N 0.06 0.00 0.47 6.34 3.72 -1.04 -1.59 117.46 125.41 3hs6 n PHE 292 Ca 0.17 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.69 3hs6 n PHE 292 Cb 0.37 -0.45 0.46 0.00 -0.94 0.00 0.00 39.48 38.93 3hs6 n PHE 292 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3hs6 h GLY 293 N 3.00 0.00 0.62 1.37 0.00 -1.83 -3.29 103.07 102.94 3hs6 h GLY 293 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 3hs6 h GLY 293 CO 0.00 0.00 0.30 -2.00 0.00 0.00 0.00 176.54 174.84 3hs6 h LEU 294 N 0.00 0.41 -7.91 3.11 5.85 -1.56 -3.37 115.31 111.85 3hs6 h LEU 294 Ca 0.00 0.04 -0.49 0.00 0.84 0.00 0.00 57.88 58.27 3hs6 h LEU 294 Cb 0.53 -0.03 -0.34 0.00 0.37 0.00 0.00 40.66 41.19 3hs6 h LEU 294 CO 0.00 0.27 -0.81 -0.69 -0.34 0.00 0.00 178.44 176.87 3hs6 s VAL 295 N -6.10 1.01 0.50 1.05 1.01 -1.25 0.33 120.40 116.95 3hs6 s VAL 295 Ca -0.13 -0.39 0.15 0.00 0.00 0.00 0.00 61.98 61.61 3hs6 s VAL 295 Cb 0.16 -0.94 0.26 0.00 0.00 0.00 0.00 36.38 35.85 3hs6 s VAL 295 CO 0.75 0.33 2.13 -0.65 0.00 0.00 0.00 175.10 177.66 3hs6 h PRO 296 N 7.12 0.04 -0.35 2.72 0.11 -1.82 -0.36 132.00 139.47 3hs6 h PRO 296 Ca -0.32 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.80 3hs6 h PRO 296 Cb 1.18 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3hs6 h PRO 296 CO 0.47 0.04 0.23 0.78 -0.21 0.00 0.00 178.00 179.31 3hs6 h GLY 297 N 0.09 0.46 1.29 -0.55 0.00 -1.94 0.10 103.07 102.52 3hs6 h GLY 297 Ca 0.01 -0.17 -0.27 0.00 0.00 0.00 0.00 47.33 46.91 3hs6 h GLY 297 CO -0.00 0.16 -1.07 1.41 0.00 0.00 0.00 176.54 177.04 3hs6 h LEU 298 N 0.43 0.82 -1.31 3.11 3.38 -1.36 -3.24 115.31 117.14 3hs6 h LEU 298 Ca 0.13 -0.69 -0.07 0.00 0.09 0.00 0.00 57.88 57.35 3hs6 h LEU 298 Cb 0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3hs6 h LEU 298 CO -0.03 1.49 -0.34 0.24 0.09 0.00 0.00 178.44 179.89 3hs6 h MET 299 N 0.33 0.00 0.30 1.13 2.86 -0.84 -1.40 114.93 117.32 3hs6 h MET 299 Ca -0.13 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 3hs6 h MET 299 Cb 1.73 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.38 3hs6 h MET 299 CO 0.20 0.34 -0.18 1.98 1.06 0.00 0.00 176.91 180.32 3hs6 h MET 300 N 0.00 -0.44 -0.31 1.72 1.85 -0.87 -1.46 114.93 115.41 3hs6 h MET 300 Ca -0.00 0.03 -0.05 0.00 -0.61 0.00 0.00 59.70 59.07 3hs6 h MET 300 Cb 0.61 0.10 -0.02 0.00 0.43 0.00 0.00 31.60 32.73 3hs6 h MET 300 CO 0.04 -0.29 -0.01 1.88 -0.40 0.00 0.00 176.91 178.13 3hs6 h TYR 301 N -0.46 0.50 -0.68 1.39 -1.99 -1.54 -1.71 116.97 112.48 3hs6 h TYR 301 Ca -0.03 -0.05 -0.06 0.00 2.00 0.00 0.00 58.73 60.59 3hs6 h TYR 301 Cb 0.38 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 38.93 3hs6 h TYR 301 CO -0.09 0.51 0.17 0.00 -0.00 0.00 0.00 178.16 178.75 3hs6 h ALA 302 N 1.53 1.01 -0.19 3.88 0.00 -1.04 -0.69 119.26 123.76 3hs6 h ALA 302 Ca 0.10 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3hs6 h ALA 302 Cb 0.33 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hs6 h ALA 302 CO 0.01 0.64 -0.25 1.15 0.00 0.00 0.00 179.25 180.80 3hs6 h THR 303 N 1.02 1.34 -0.52 0.00 2.02 -1.02 -1.01 112.91 114.74 3hs6 h THR 303 Ca 0.22 -1.45 0.04 0.00 0.77 0.00 0.00 66.41 65.98 3hs6 h THR 303 Cb 0.35 1.83 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 3hs6 h THR 303 CO 0.00 0.44 0.28 0.40 0.37 0.00 0.00 175.52 177.02 3hs6 h ILE 304 N 0.17 1.00 -0.06 3.11 2.04 -1.15 -0.38 117.51 122.24 3hs6 h ILE 304 Ca 0.02 -0.19 -0.18 0.00 1.00 0.00 0.00 64.86 65.51 3hs6 h ILE 304 Cb 0.82 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3hs6 h ILE 304 CO 0.06 0.10 -0.72 -0.50 0.00 0.00 0.00 178.15 177.09 3hs6 h TRP 305 N 0.56 0.43 -0.59 1.37 4.06 -1.09 -0.72 115.95 119.97 3hs6 h TRP 305 Ca 0.22 -0.19 0.00 0.00 2.06 0.00 0.00 58.89 60.98 3hs6 h TRP 305 Cb 0.09 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.15 3hs6 h TRP 305 CO -0.08 0.93 0.37 1.25 -3.56 0.00 0.00 178.44 177.35 3hs6 h LEU 306 N 0.21 0.69 -0.53 -4.49 5.85 -0.99 -1.66 115.31 114.41 3hs6 h LEU 306 Ca -0.03 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 3hs6 h LEU 306 Cb 1.29 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 3hs6 h LEU 306 CO 0.12 0.53 0.19 0.03 -0.34 0.00 0.00 178.44 178.97 3hs6 h ARG 307 N 0.79 0.80 -0.74 1.25 3.08 -0.81 -2.78 114.38 115.97 3hs6 h ARG 307 Ca 0.21 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 60.14 3hs6 h ARG 307 Cb -0.05 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 29.83 3hs6 h ARG 307 CO -0.04 0.72 0.47 1.49 -1.07 0.00 0.00 179.97 181.53 3hs6 h GLU 308 N 0.71 0.88 -0.35 0.04 4.57 -0.96 0.18 114.58 119.66 3hs6 h GLU 308 Ca 0.17 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 3hs6 h GLU 308 Cb 0.23 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 3hs6 h GLU 308 CO -0.01 0.59 0.23 1.25 -1.18 0.00 0.00 179.01 179.88 3hs6 h HIS 309 N 0.91 0.45 0.00 0.92 2.76 -1.14 -0.71 115.15 118.33 3hs6 h HIS 309 Ca 0.30 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.37 3hs6 h HIS 309 Cb 0.02 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.82 3hs6 h HIS 309 CO -0.04 0.29 -0.50 -0.91 -1.30 0.00 0.00 177.93 175.47 3hs6 h ASN 310 N 0.47 0.00 -0.27 3.26 2.35 -1.21 -0.63 115.58 119.56 3hs6 h ASN 310 Ca 0.13 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3hs6 h ASN 310 Cb -0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3hs6 h ASN 310 CO -0.03 0.50 0.13 -0.09 -1.65 0.00 0.00 177.43 176.30 3hs6 h ARG 311 N 0.00 0.39 -0.42 0.81 2.43 -0.64 -2.16 114.38 114.78 3hs6 h ARG 311 Ca -0.01 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 58.97 3hs6 h ARG 311 Cb 0.91 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 3hs6 h ARG 311 CO 0.07 0.38 -0.28 0.28 -1.51 0.00 0.00 179.97 178.90 3hs6 h VAL 312 N 0.31 1.27 -0.72 0.20 2.07 -0.78 -1.96 116.25 116.63 3hs6 h VAL 312 Ca 0.09 -1.44 0.14 0.00 0.82 0.00 0.00 66.70 66.32 3hs6 h VAL 312 Cb 0.11 1.24 -0.10 0.00 -1.52 0.00 0.00 31.29 31.03 3hs6 h VAL 312 CO -0.01 0.49 0.25 0.00 0.02 0.00 0.00 177.57 178.31 3hs6 h ASP 314 N 0.37 0.94 0.07 0.00 3.32 -0.70 -1.06 116.42 119.37 3hs6 h ASP 314 Ca 0.40 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 3hs6 h ASP 314 Cb 0.62 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3hs6 h ASP 314 CO -0.42 0.73 -0.03 0.40 -1.72 0.00 0.00 179.24 178.20 3hs6 h ILE 315 N 1.07 1.12 -0.54 0.35 2.04 -0.93 -2.80 117.51 117.83 3hs6 h ILE 315 Ca 0.28 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 3hs6 h ILE 315 Cb -0.03 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3hs6 h ILE 315 CO -0.05 0.16 0.32 -0.07 0.00 0.00 0.00 178.15 178.51 3hs6 h LEU 316 N -0.39 0.64 -0.81 1.44 3.38 -0.94 -1.94 115.31 116.69 3hs6 h LEU 316 Ca -0.01 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3hs6 h LEU 316 Cb 0.34 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3hs6 h LEU 316 CO 0.02 0.50 -0.02 0.50 0.09 0.00 0.00 178.44 179.52 3hs6 h LYS 317 N 0.74 0.87 -0.67 1.13 3.64 -1.18 0.23 116.57 121.33 3hs6 h LYS 317 Ca 0.19 -0.26 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 3hs6 h LYS 317 Cb -0.02 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 3hs6 h LYS 317 CO -0.04 0.88 0.22 0.37 -2.27 0.00 0.00 179.45 178.62 3hs6 h GLN 318 N 0.80 1.04 0.00 1.90 4.15 -1.12 -2.09 115.11 119.79 3hs6 h GLN 318 Ca 0.15 -0.22 -0.09 0.00 0.77 0.00 0.00 58.65 59.26 3hs6 h GLN 318 Cb 0.51 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 3hs6 h GLN 318 CO 0.03 0.89 -0.45 0.93 -1.93 0.00 0.00 178.83 178.30 3hs6 h GLU 319 N 0.97 0.00 -2.07 1.69 4.39 -1.05 -3.38 114.58 115.13 3hs6 h GLU 319 Ca 0.22 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.35 3hs6 h GLU 319 Cb 0.28 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.53 3hs6 h GLU 319 CO -0.01 0.45 -0.99 0.72 -1.16 0.00 0.00 179.01 178.02 3hs6 n HIS 320 N -3.40 0.48 0.24 4.33 8.25 0.77 -4.94 115.22 120.95 3hs6 n HIS 320 Ca 0.01 -3.68 0.12 0.00 -0.26 0.00 0.00 57.72 53.91 3hs6 n HIS 320 Cb 0.61 -0.36 0.64 0.00 1.12 0.00 0.00 29.99 32.00 3hs6 n HIS 320 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3hs6 h PRO 321 N 4.14 0.00 -0.00 -0.41 0.13 -1.58 -1.90 132.00 132.38 3hs6 h PRO 321 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3hs6 h PRO 321 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3hs6 h PRO 321 CO 0.54 0.00 -0.56 -0.85 -0.23 0.00 0.00 178.00 176.90 3hs6 n GLU 322 N -2.48 0.09 -2.60 0.86 0.00 -1.26 -4.95 120.64 110.31 3hs6 n GLU 322 Ca -0.02 -0.06 -0.33 0.00 0.00 0.00 0.00 57.16 56.75 3hs6 n GLU 322 Cb 0.27 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.16 3hs6 n GLU 322 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3hs6 s TRP 323 N -2.95 3.23 0.62 -1.84 0.52 -0.72 -5.07 118.94 112.74 3hs6 s TRP 323 Ca 0.12 1.56 -0.00 0.00 0.02 0.00 0.00 56.10 57.80 3hs6 s TRP 323 Cb 0.17 -2.91 0.07 0.00 -1.15 0.00 0.00 33.47 29.66 3hs6 s TRP 323 CO 0.71 -0.43 0.87 0.20 0.02 0.00 0.00 176.95 178.32 3hs6 s GLY 324 N -2.37 1.79 0.23 0.98 0.00 -1.26 -4.96 107.32 101.74 3hs6 s GLY 324 Ca 0.63 -1.43 -0.06 0.00 0.00 0.00 0.00 44.72 43.86 3hs6 s GLY 324 CO 0.21 -1.04 1.73 -1.80 0.00 0.00 0.00 173.10 172.20 3hs6 h ASP 325 N -0.19 0.26 -0.08 1.64 3.58 -1.93 -2.27 116.42 117.42 3hs6 h ASP 325 Ca -0.40 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.14 3hs6 h ASP 325 Cb 1.29 0.08 -0.00 0.00 1.72 0.00 0.00 39.33 42.42 3hs6 h ASP 325 CO 0.49 0.11 0.02 -0.08 -2.88 0.00 0.00 179.24 176.91 3hs6 h GLU 326 N 0.43 0.13 -0.41 0.28 4.57 -1.95 -0.06 114.58 117.57 3hs6 h GLU 326 Ca 0.38 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.48 3hs6 h GLU 326 Cb 0.55 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 3hs6 h GLU 326 CO -0.38 0.29 0.03 0.37 -1.18 0.00 0.00 179.01 178.14 3hs6 h GLN 327 N -0.06 0.64 -0.41 1.92 4.15 -1.93 -1.79 115.11 117.62 3hs6 h GLN 327 Ca 0.03 -0.14 -0.05 0.00 0.77 0.00 0.00 58.65 59.25 3hs6 h GLN 327 Cb 0.22 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 3hs6 h GLN 327 CO -0.00 0.64 0.06 -0.07 -1.93 0.00 0.00 178.83 177.53 3hs6 h LEU 328 N 0.61 0.66 -0.12 -2.39 3.38 -1.10 -1.47 115.31 114.88 3hs6 h LEU 328 Ca 0.13 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3hs6 h LEU 328 Cb 0.35 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3hs6 h LEU 328 CO 0.01 0.76 0.06 0.15 0.09 0.00 0.00 178.44 179.51 3hs6 h PHE 329 N 0.54 0.18 -0.48 1.13 3.57 -0.70 -2.09 116.94 119.09 3hs6 h PHE 329 Ca 0.13 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 3hs6 h PHE 329 Cb 0.38 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 3hs6 h PHE 329 CO 0.03 0.22 -0.05 1.96 -2.23 0.00 0.00 178.31 178.24 3hs6 h GLN 330 N 0.08 0.88 -0.40 1.11 1.08 -1.25 -1.87 115.11 114.74 3hs6 h GLN 330 Ca 0.04 -0.30 -0.14 0.00 -1.45 0.00 0.00 58.65 56.80 3hs6 h GLN 330 Cb 0.11 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 3hs6 h GLN 330 CO -0.01 0.94 -0.29 1.15 -0.95 0.00 0.00 178.83 179.67 3hs6 h THR 331 N 0.73 1.27 -0.88 -0.54 2.02 -1.30 -2.20 112.91 112.03 3hs6 h THR 331 Ca 0.13 -1.45 -0.00 0.00 0.77 0.00 0.00 66.41 65.86 3hs6 h THR 331 Cb 0.57 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 3hs6 h THR 331 CO 0.03 0.48 0.53 0.28 0.37 0.00 0.00 175.52 177.22 3hs6 h SER 332 N 0.73 1.05 -0.54 4.18 0.02 -1.19 -1.60 113.55 116.20 3hs6 h SER 332 Ca 0.08 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 3hs6 h SER 332 Cb 0.85 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 3hs6 h SER 332 CO 0.07 0.80 0.26 -0.09 -1.14 0.00 0.00 176.83 176.73 3hs6 h ARG 333 N 1.21 0.77 -0.48 3.45 2.43 -0.91 -0.39 114.38 120.46 3hs6 h ARG 333 Ca 0.32 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 59.26 3hs6 h ARG 333 Cb -0.06 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 3hs6 h ARG 333 CO -0.06 0.63 -0.14 -0.07 -1.51 0.00 0.00 179.97 178.83 3hs6 h LEU 334 N 0.72 0.91 -0.07 3.80 3.38 -1.12 -1.04 115.31 121.89 3hs6 h LEU 334 Ca 0.19 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3hs6 h LEU 334 Cb 0.11 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3hs6 h LEU 334 CO -0.02 1.04 0.04 0.40 0.09 0.00 0.00 178.44 179.99 3hs6 h ILE 335 N 0.80 1.00 -0.85 1.22 2.04 -1.05 -1.89 117.51 118.79 3hs6 h ILE 335 Ca 0.12 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 3hs6 h ILE 335 Cb 0.67 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 3hs6 h ILE 335 CO 0.05 0.01 0.49 -0.07 0.00 0.00 0.00 178.15 178.63 3hs6 h LEU 336 N 0.08 1.04 -0.24 1.44 3.38 -0.81 0.16 115.31 120.35 3hs6 h LEU 336 Ca 0.03 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3hs6 h LEU 336 Cb -0.00 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 3hs6 h LEU 336 CO -0.02 0.81 -0.03 0.40 0.09 0.00 0.00 178.44 179.70 3hs6 h ILE 337 N 1.18 0.80 -0.16 1.22 2.04 -1.03 0.89 117.51 122.45 3hs6 h ILE 337 Ca 0.30 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 66.18 3hs6 h ILE 337 Cb -0.02 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3hs6 h ILE 337 CO -0.05 0.01 -0.05 1.23 0.00 0.00 0.00 178.15 179.28 3hs6 h GLY 338 N 0.04 0.10 0.19 5.37 0.00 -0.63 -1.57 103.07 106.59 3hs6 h GLY 338 Ca 0.11 0.07 0.10 0.00 0.00 0.00 0.00 47.33 47.61 3hs6 h GLY 338 CO -0.22 -0.07 0.01 0.83 0.00 0.00 0.00 176.54 177.09 3hs6 h GLU 339 N -0.02 0.12 -0.01 4.80 5.08 -0.25 0.03 114.58 124.33 3hs6 h GLU 339 Ca 0.08 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3hs6 h GLU 339 Cb 0.14 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3hs6 h GLU 339 CO -0.18 0.08 -0.09 1.15 -1.00 0.00 0.00 179.01 178.97 3hs6 h THR 340 N 0.12 0.77 -0.52 1.13 2.02 -0.50 0.32 112.91 116.24 3hs6 h THR 340 Ca 0.25 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.43 3hs6 h THR 340 Cb 0.37 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 3hs6 h THR 340 CO -0.41 0.00 0.32 0.40 0.37 0.00 0.00 175.52 176.20 3hs6 h ILE 341 N -0.15 1.16 0.00 3.11 2.04 -0.78 0.16 117.51 123.05 3hs6 h ILE 341 Ca 0.04 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.57 3hs6 h ILE 341 Cb 0.20 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3hs6 h ILE 341 CO -0.10 0.16 -0.09 0.50 0.00 0.00 0.00 178.15 178.62 3hs6 h LYS 342 N 0.70 -0.15 -0.52 2.37 1.63 -0.70 -1.26 116.57 118.65 3hs6 h LYS 342 Ca 0.19 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.98 3hs6 h LYS 342 Cb -0.02 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 3hs6 h LYS 342 CO -0.04 -0.10 0.25 0.82 -3.45 0.00 0.00 179.45 176.94 3hs6 h ILE 343 N -0.16 1.20 -0.31 2.00 2.04 -0.55 -0.29 117.51 121.44 3hs6 h ILE 343 Ca 0.03 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.35 3hs6 h ILE 343 Cb 0.20 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3hs6 h ILE 343 CO -0.09 0.22 0.18 0.58 0.00 0.00 0.00 178.15 179.04 3hs6 h VAL 344 N 0.70 1.04 0.11 1.67 2.07 -0.43 -0.77 116.25 120.62 3hs6 h VAL 344 Ca 0.18 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 3hs6 h VAL 344 Cb 0.12 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3hs6 h VAL 344 CO -0.02 0.07 -0.05 0.40 0.02 0.00 0.00 177.57 177.98 3hs6 h ILE 345 N 0.37 1.11 0.00 4.57 2.04 -1.07 0.40 117.51 124.93 3hs6 h ILE 345 Ca 0.12 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.86 3hs6 h ILE 345 Cb -0.00 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3hs6 h ILE 345 CO -0.06 0.26 -0.67 -0.33 0.00 0.00 0.00 178.15 177.35 3hs6 h GLU 346 N -0.69 0.00 0.00 2.37 5.08 -1.03 -2.66 114.58 117.65 3hs6 h GLU 346 Ca -0.01 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 3hs6 h GLU 346 Cb 0.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3hs6 h GLU 346 CO 0.02 0.00 -1.45 -0.25 -1.00 0.00 0.00 179.01 176.33 3hs6 n ASP 347 N -2.41 0.75 0.09 1.42 8.00 -0.37 -4.56 116.55 119.46 3hs6 n ASP 347 Ca 0.02 0.09 -0.08 0.00 0.71 0.00 0.00 54.79 55.54 3hs6 n ASP 347 Cb 0.49 -0.23 -0.05 0.00 -0.02 0.00 0.00 41.12 41.31 3hs6 n ASP 347 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3hs6 h TYR 348 N -0.27 -0.30 -0.26 1.24 3.20 -1.12 -1.89 116.97 117.57 3hs6 h TYR 348 Ca -0.20 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.52 3hs6 h TYR 348 Cb 1.19 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.54 3hs6 h TYR 348 CO -0.02 -0.05 -0.40 0.28 -1.64 0.00 0.00 178.16 176.33 3hs6 h VAL 349 N -1.03 1.30 -0.28 1.81 2.07 -0.27 -2.18 116.25 117.67 3hs6 h VAL 349 Ca -0.03 -1.57 0.06 0.00 0.82 0.00 0.00 66.70 65.98 3hs6 h VAL 349 Cb 0.38 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.62 3hs6 h VAL 349 CO 0.05 0.50 -0.14 -0.61 0.02 0.00 0.00 177.57 177.40 3hs6 h GLN 350 N 0.51 -0.10 0.02 1.57 5.75 -1.57 -0.04 115.11 121.25 3hs6 h GLN 350 Ca 0.04 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.56 3hs6 h GLN 350 Cb 0.92 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.48 3hs6 h GLN 350 CO 0.08 -0.06 -0.07 1.25 -2.65 0.00 0.00 178.83 177.38 3hs6 h HIS 351 N -0.10 -0.18 -0.82 3.99 2.76 -1.12 -2.91 115.15 116.77 3hs6 h HIS 351 Ca 0.15 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.37 3hs6 h HIS 351 Cb 0.32 0.08 -0.05 0.00 1.55 0.00 0.00 27.41 29.31 3hs6 h HIS 351 CO -0.33 -0.11 0.54 -0.07 -1.30 0.00 0.00 177.93 176.66 3hs6 h LEU 352 N -0.13 0.83 -0.59 0.26 3.38 -1.06 -3.00 115.31 115.01 3hs6 h LEU 352 Ca 0.02 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3hs6 h LEU 352 Cb 0.16 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3hs6 h LEU 352 CO -0.06 0.55 0.06 0.77 0.09 0.00 0.00 178.44 179.85 3hs6 h SER 353 N 0.96 0.97 -0.02 -0.43 4.64 -0.82 -3.47 113.55 115.37 3hs6 h SER 353 Ca 0.34 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 3hs6 h SER 353 Cb 0.13 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3hs6 h SER 353 CO -0.11 1.00 -0.01 0.61 -0.87 0.00 0.00 176.83 177.46 3hs6 n GLY 354 N -0.49 0.35 3.77 -0.77 0.00 -1.13 -5.00 105.19 101.91 3hs6 n GLY 354 Ca 0.03 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3hs6 n GLY 354 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hs6 s TYR 355 N -1.67 2.79 -0.05 1.61 2.02 -1.26 -4.71 117.35 116.09 3hs6 s TYR 355 Ca 0.00 1.52 0.12 0.00 -0.37 0.00 0.00 57.07 58.33 3hs6 s TYR 355 Cb 0.00 -3.43 -0.06 0.00 -0.40 0.00 0.00 41.96 38.07 3hs6 s TYR 355 CO 0.00 -1.69 1.34 0.45 -1.57 0.00 0.00 175.55 174.08 3hs6 h HIS 356 N 1.94 0.00 -3.09 2.71 3.86 -1.53 -3.45 115.15 115.59 3hs6 h HIS 356 Ca -0.50 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.19 3hs6 h HIS 356 Cb 1.25 0.00 0.05 0.00 1.06 0.00 0.00 27.41 29.77 3hs6 h HIS 356 CO 0.52 0.71 0.81 0.12 0.86 0.00 0.00 177.93 180.95 3hs6 s PHE 357 N -2.85 3.06 -0.55 2.45 5.36 -1.26 -4.78 117.98 119.41 3hs6 s PHE 357 Ca 0.02 0.84 -0.23 0.00 -0.96 0.00 0.00 56.93 56.60 3hs6 s PHE 357 Cb 0.09 -3.85 0.04 0.00 -0.34 0.00 0.00 43.02 38.96 3hs6 s PHE 357 CO 0.78 -2.97 0.89 0.21 -1.46 0.00 0.00 175.22 172.66 3hs6 s LYS 358 N 0.47 3.29 0.75 10.12 2.20 -1.26 -5.03 119.74 130.28 3hs6 s LYS 358 Ca 0.65 -0.38 -0.15 0.00 -0.36 0.00 0.00 55.97 55.72 3hs6 s LYS 358 Cb -0.42 -4.07 0.04 0.00 -1.51 0.00 0.00 37.83 31.87 3hs6 s LYS 358 CO 0.36 -1.45 1.15 1.28 -0.36 0.00 0.00 175.35 176.33 3hs6 n LEU 359 N 7.25 4.51 -3.97 5.43 4.77 -1.26 -4.99 117.00 128.74 3hs6 n LEU 359 Ca 0.00 0.67 -0.21 0.00 -0.03 0.00 0.00 56.01 56.44 3hs6 n LEU 359 Cb 0.47 -1.49 -0.16 0.00 -2.33 0.00 0.00 43.42 39.91 3hs6 n LEU 359 CO 0.62 -1.64 -0.43 -0.75 -1.33 0.00 0.00 177.39 173.85 3hs6 s LYS 360 N -3.71 1.01 -0.54 3.23 2.20 -1.26 -4.78 119.74 115.89 3hs6 s LYS 360 Ca 0.75 -0.25 -0.20 0.00 -0.36 0.00 0.00 55.97 55.91 3hs6 s LYS 360 Cb -0.33 -0.94 0.07 0.00 -1.51 0.00 0.00 37.83 35.13 3hs6 s LYS 360 CO 0.48 0.04 0.70 0.12 -0.36 0.00 0.00 175.35 176.33 3hs6 s PHE 361 N 0.48 2.99 -0.32 4.03 5.36 -1.26 -4.97 117.98 124.28 3hs6 s PHE 361 Ca -0.08 -0.61 0.01 0.00 -0.96 0.00 0.00 56.93 55.29 3hs6 s PHE 361 Cb -0.11 -3.76 0.14 0.00 -0.34 0.00 0.00 43.02 38.95 3hs6 s PHE 361 CO 0.01 -1.17 0.32 0.34 -1.46 0.00 0.00 175.22 173.26 3hs6 s ASP 362 N 3.02 1.52 0.39 6.13 2.15 -1.26 -5.02 116.67 123.60 3hs6 s ASP 362 Ca 0.16 -1.05 0.18 0.00 0.43 0.00 0.00 52.55 52.27 3hs6 s ASP 362 Cb -0.20 0.52 1.09 0.00 -0.30 0.00 0.00 42.92 44.03 3hs6 s ASP 362 CO 0.11 -0.35 1.76 -0.65 -0.17 0.00 0.00 175.17 175.88 3hs6 h PRO 363 N 7.85 0.39 -0.45 4.34 0.11 -1.93 -2.23 132.00 140.08 3hs6 h PRO 363 Ca -0.07 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 66.15 3hs6 h PRO 363 Cb 1.07 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3hs6 h PRO 363 CO 0.29 0.26 0.40 0.93 -0.21 0.00 0.00 178.00 179.67 3hs6 h GLU 364 N 0.40 0.00 0.00 1.05 5.08 -1.96 -1.59 114.58 117.56 3hs6 h GLU 364 Ca 0.60 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.96 3hs6 h GLU 364 Cb 1.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.75 3hs6 h GLU 364 CO -0.32 0.00 0.00 -0.07 -1.00 0.00 0.00 179.01 177.62 3hs6 h LEU 365 N 0.00 0.00 -1.72 1.33 3.38 -1.81 -2.30 115.31 114.19 3hs6 h LEU 365 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3hs6 h LEU 365 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3hs6 h LEU 365 CO -0.00 0.00 -0.03 0.18 0.09 0.00 0.00 178.44 178.68 3hs6 n LEU 366 N -2.92 2.62 0.21 1.67 4.77 -0.60 -4.64 117.00 118.10 3hs6 n LEU 366 Ca -0.02 -0.98 0.06 0.00 -0.03 0.00 0.00 56.01 55.04 3hs6 n LEU 366 Cb 0.11 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.66 3hs6 n LEU 366 CO 0.20 0.45 0.78 -0.26 -1.33 0.00 0.00 177.39 177.23 3hs6 h PHE 367 N 3.82 0.00 -0.50 -1.77 0.04 -1.53 -2.13 116.94 114.88 3hs6 h PHE 367 Ca 0.00 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 3hs6 h PHE 367 Cb 0.83 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.88 3hs6 h PHE 367 CO 0.00 0.30 0.12 0.27 -0.60 0.00 0.00 178.31 178.39 3hs6 n ASN 368 N -3.78 3.76 -4.71 2.17 0.23 -1.26 -4.99 115.26 106.67 3hs6 n ASN 368 Ca -0.01 -3.36 -0.23 0.00 -0.53 0.00 0.00 54.58 50.45 3hs6 n ASN 368 Cb 0.39 -0.66 -0.06 0.00 -2.08 0.00 0.00 39.78 37.37 3hs6 n ASN 368 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 3hs6 s GLN 369 N -3.05 2.46 -0.42 -3.83 -1.52 -0.80 -5.09 119.66 107.41 3hs6 s GLN 369 Ca 0.48 -1.37 -0.23 0.00 -1.95 0.00 0.00 55.36 52.29 3hs6 s GLN 369 Cb 0.40 -2.26 0.02 0.00 -0.22 0.00 0.00 33.01 30.96 3hs6 s GLN 369 CO 0.08 0.30 0.79 -0.65 -0.25 0.00 0.00 175.29 175.55 3hs6 s GLN 370 N -3.77 3.53 -0.11 2.91 -0.21 -1.26 -5.02 119.66 115.74 3hs6 s GLN 370 Ca 0.34 0.04 -0.11 0.00 0.02 0.00 0.00 55.36 55.65 3hs6 s GLN 370 Cb -0.06 -3.90 0.03 0.00 1.00 0.00 0.00 33.01 30.09 3hs6 s GLN 370 CO 0.22 -1.03 0.31 0.12 -2.12 0.00 0.00 175.29 172.79 3hs6 s PHE 371 N 3.25 -0.32 -0.32 0.91 5.36 -1.26 -5.06 117.98 120.53 3hs6 s PHE 371 Ca 0.31 0.77 -0.13 0.00 -0.96 0.00 0.00 56.93 56.92 3hs6 s PHE 371 Cb -0.12 0.11 -0.03 0.00 -0.34 0.00 0.00 43.02 42.64 3hs6 s PHE 371 CO 0.21 -0.19 0.25 -0.65 -1.46 0.00 0.00 175.22 173.38 3hs6 s GLN 372 N -0.02 3.66 -1.41 10.12 -1.52 -1.26 -5.00 119.66 124.24 3hs6 s GLN 372 Ca -0.02 -0.48 -0.15 0.00 -1.95 0.00 0.00 55.36 52.76 3hs6 s GLN 372 Cb -0.03 -3.76 0.04 0.00 -0.22 0.00 0.00 33.01 29.05 3hs6 s GLN 372 CO 0.01 -0.37 2.12 0.66 -0.25 0.00 0.00 175.29 177.46 3hs6 n TYR 373 N 5.15 3.73 -3.48 0.91 4.01 -1.26 -4.70 117.16 121.51 3hs6 n TYR 373 Ca -0.12 -2.92 -0.14 0.00 -0.16 0.00 0.00 57.90 54.56 3hs6 n TYR 373 Cb 0.50 -2.56 -0.04 0.00 -0.31 0.00 0.00 39.34 36.94 3hs6 n TYR 373 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 3hs6 s GLN 374 N 3.47 1.09 -0.02 -0.72 -2.07 -1.05 -4.76 119.66 115.59 3hs6 s GLN 374 Ca 0.49 -0.10 -0.09 0.00 -1.82 0.00 0.00 55.36 53.83 3hs6 s GLN 374 Cb 0.12 0.51 0.01 0.00 -1.09 0.00 0.00 33.01 32.56 3hs6 s GLN 374 CO -0.05 -0.41 0.20 1.21 -1.32 0.00 0.00 175.29 174.92 3hs6 s ASN 375 N -1.94 -0.08 -0.04 12.60 2.47 -1.26 -4.80 114.94 121.88 3hs6 s ASN 375 Ca -0.04 -0.01 -0.01 0.00 0.42 0.00 0.00 52.86 53.23 3hs6 s ASN 375 Cb -0.01 0.28 0.03 0.00 -1.45 0.00 0.00 41.25 40.10 3hs6 s ASN 375 CO -0.02 -0.34 0.02 -0.60 -3.72 0.00 0.00 177.10 172.44 3hs6 s ARG 376 N -1.09 0.28 0.08 0.43 6.06 -1.26 -4.79 118.95 118.64 3hs6 s ARG 376 Ca -0.12 0.18 -0.31 0.00 -2.50 0.00 0.00 55.73 52.98 3hs6 s ARG 376 Cb -0.06 -0.64 -0.08 0.00 0.06 0.00 0.00 34.95 34.24 3hs6 s ARG 376 CO 0.02 -0.24 1.51 0.42 -2.50 0.00 0.00 175.30 174.51 3hs6 s ILE 377 N 1.65 3.22 0.05 4.11 -1.09 -1.26 -4.76 121.20 123.12 3hs6 s ILE 377 Ca -0.01 0.75 -0.22 0.00 -2.23 0.00 0.00 60.65 58.94 3hs6 s ILE 377 Cb -0.13 -3.48 -0.06 0.00 -1.58 0.00 0.00 42.46 37.21 3hs6 s ILE 377 CO -0.03 0.02 0.66 0.00 -1.23 0.00 0.00 174.94 174.36 3hs6 s ALA 378 N 1.99 3.48 0.30 9.38 0.00 -1.26 -0.37 121.76 135.28 3hs6 s ALA 378 Ca 0.68 0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.83 3hs6 s ALA 378 Cb -0.37 -2.81 0.72 0.00 0.00 0.00 0.00 23.12 20.65 3hs6 s ALA 378 CO 0.30 0.22 1.76 1.03 0.00 0.00 0.00 175.76 179.07 3hs6 h SER 379 N 5.17 0.66 0.71 0.00 0.87 -0.89 -1.53 113.55 118.54 3hs6 h SER 379 Ca -0.46 0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 60.12 3hs6 h SER 379 Cb 1.21 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 3hs6 h SER 379 CO 0.68 0.20 -0.42 -0.33 -0.53 0.00 0.00 176.83 176.43 3hs6 h GLU 380 N 0.66 0.00 -0.37 2.24 3.07 -1.93 -1.54 114.58 116.70 3hs6 h GLU 380 Ca 0.56 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.39 3hs6 h GLU 380 Cb 0.92 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.81 3hs6 h GLU 380 CO -0.41 0.42 0.11 0.35 -1.40 0.00 0.00 179.01 178.08 3hs6 h PHE 381 N 0.00 0.60 0.13 4.33 3.57 -1.68 -0.71 116.94 123.19 3hs6 h PHE 381 Ca -0.00 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.45 3hs6 h PHE 381 Cb 0.89 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 3hs6 h PHE 381 CO 0.00 0.58 -0.25 -0.97 -2.23 0.00 0.00 178.31 175.44 3hs6 h ASN 382 N 0.45 -0.70 -0.49 0.41 -0.73 -1.16 -2.77 115.58 110.59 3hs6 h ASN 382 Ca 0.12 0.08 0.03 0.00 1.87 0.00 0.00 56.30 58.40 3hs6 h ASN 382 Cb 0.26 0.26 -0.04 0.00 0.27 0.00 0.00 38.32 39.08 3hs6 h ASN 382 CO -0.00 -0.34 0.27 0.74 -0.37 0.00 0.00 177.43 177.73 3hs6 h THR 383 N -0.46 1.01 0.00 -3.57 2.02 -1.14 -1.66 112.91 109.12 3hs6 h THR 383 Ca 0.03 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3hs6 h THR 383 Cb 0.48 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3hs6 h THR 383 CO -0.13 0.10 0.00 0.17 0.37 0.00 0.00 175.52 176.03 3hs6 h LEU 384 N 0.54 0.00 -1.70 2.58 8.10 -1.12 -2.75 115.31 120.96 3hs6 h LEU 384 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.19 3hs6 h LEU 384 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.28 3hs6 h LEU 384 CO -0.11 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.22 3hs6 n TYR 385 N -2.65 0.43 -1.49 0.17 9.36 -0.63 -4.61 117.16 117.74 3hs6 n TYR 385 Ca 0.00 -0.21 -0.41 0.00 3.32 0.00 0.00 57.90 60.60 3hs6 n TYR 385 Cb 0.20 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.89 3hs6 n TYR 385 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3hs6 n HIS 386 N 0.88 2.88 -1.32 2.98 8.25 -1.04 -4.79 115.22 123.06 3hs6 n HIS 386 Ca 0.17 -2.62 -0.26 0.00 -0.26 0.00 0.00 57.72 54.76 3hs6 n HIS 386 Cb 0.45 -2.28 -0.09 0.00 1.12 0.00 0.00 29.99 29.19 3hs6 n HIS 386 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 3hs6 n TRP 387 N 6.17 1.29 0.26 4.41 8.01 -1.26 -4.67 117.44 131.65 3hs6 n TRP 387 Ca 0.53 -2.16 0.09 0.00 -1.31 0.00 0.00 57.50 54.66 3hs6 n TRP 387 Cb 0.37 -1.80 0.69 0.00 -2.01 0.00 0.00 31.31 28.56 3hs6 n TRP 387 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 3hs6 h HIS 388 N 3.70 0.00 0.00 -5.99 3.86 -1.97 -2.28 115.15 112.48 3hs6 h HIS 388 Ca 0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.68 3hs6 h HIS 388 Cb 0.88 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.35 3hs6 h HIS 388 CO 1.72 0.03 0.00 -1.35 0.86 0.00 0.00 177.93 179.18 3hs6 h PRO 389 N 0.00 0.00 -0.36 2.45 0.11 -1.83 -2.52 132.00 129.85 3hs6 h PRO 389 Ca -0.00 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.17 3hs6 h PRO 389 Cb 0.05 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 3hs6 h PRO 389 CO 0.00 0.00 0.24 -0.07 -0.21 0.00 0.00 178.00 177.97 3hs6 h LEU 390 N 0.00 0.20 -9.73 2.35 3.38 -1.51 -3.21 115.31 106.80 3hs6 h LEU 390 Ca 0.00 -0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3hs6 h LEU 390 Cb 0.26 -0.04 0.04 0.00 0.09 0.00 0.00 40.66 41.00 3hs6 h LEU 390 CO 0.00 0.13 0.62 -0.76 0.09 0.00 0.00 178.44 178.52 3hs6 s LEU 391 N -9.17 4.44 1.03 1.67 1.43 -0.95 -1.35 118.68 115.77 3hs6 s LEU 391 Ca -0.06 2.42 -0.17 0.00 -1.03 0.00 0.00 54.13 55.29 3hs6 s LEU 391 Cb 0.18 -3.62 0.22 0.00 0.03 0.00 0.00 46.19 43.01 3hs6 s LEU 391 CO 0.72 -0.47 1.25 -2.16 0.23 0.00 0.00 176.35 175.92 3hs6 s PRO 392 N -0.56 0.10 0.21 1.29 0.04 -1.26 -4.62 135.00 130.20 3hs6 s PRO 392 Ca 0.54 -0.29 0.10 0.00 0.04 0.00 0.00 61.00 61.39 3hs6 s PRO 392 Cb -0.36 -1.77 0.09 0.00 0.04 0.00 0.00 34.50 32.50 3hs6 s PRO 392 CO 0.41 -2.80 1.45 -0.44 0.04 0.00 0.00 177.00 175.66 3hs6 h ASP 393 N -1.92 0.00 -4.37 6.66 3.32 -1.96 -3.47 116.42 114.68 3hs6 h ASP 393 Ca -0.45 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.47 3hs6 h ASP 393 Cb 1.25 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.58 3hs6 h ASP 393 CO 0.38 0.76 -0.33 0.28 -1.72 0.00 0.00 179.24 178.60 3hs6 s THR 394 N -3.12 0.03 -0.40 0.35 -1.32 -1.26 -4.58 115.64 105.34 3hs6 s THR 394 Ca 0.01 -0.24 -0.15 0.00 -1.21 0.00 0.00 61.69 60.10 3hs6 s THR 394 Cb 0.11 -0.51 0.01 0.00 -1.51 0.00 0.00 72.50 70.60 3hs6 s THR 394 CO 0.78 -0.13 0.32 -0.36 -2.21 0.00 0.00 174.62 173.02 3hs6 s PHE 395 N -0.53 3.22 -0.56 9.09 0.08 0.61 -4.90 117.98 125.00 3hs6 s PHE 395 Ca -0.06 -0.45 -0.17 0.00 0.12 0.00 0.00 56.93 56.37 3hs6 s PHE 395 Cb -0.04 -2.64 0.12 0.00 -0.57 0.00 0.00 43.02 39.90 3hs6 s PHE 395 CO 0.02 -0.57 0.57 -0.80 -0.10 0.00 0.00 175.22 174.34 3hs6 s ASN 396 N 1.72 6.19 -0.22 1.36 0.01 -1.26 -1.16 114.94 121.58 3hs6 s ASN 396 Ca 0.07 -1.68 -0.03 0.00 -0.71 0.00 0.00 52.86 50.51 3hs6 s ASN 396 Cb -0.18 -2.24 -0.00 0.00 0.41 0.00 0.00 41.25 39.24 3hs6 s ASN 396 CO 0.11 -0.94 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.06 3hs6 s ILE 397 N 1.93 3.13 0.00 0.60 -1.09 -0.86 -4.62 121.20 120.30 3hs6 s ILE 397 Ca 0.06 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 57.86 3hs6 s ILE 397 Cb -0.28 -2.43 0.00 0.00 -1.58 0.00 0.00 42.46 38.17 3hs6 s ILE 397 CO 0.04 0.41 0.00 1.21 -1.23 0.00 0.00 174.94 175.37 3hs6 n GLU 398 N 4.76 0.00 -0.44 2.79 2.13 -1.26 -0.95 120.64 127.67 3hs6 n GLU 398 Ca -0.18 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.72 3hs6 n GLU 398 Cb 0.50 0.00 0.28 0.00 0.27 0.00 0.00 31.44 32.49 3hs6 n GLU 398 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3hs6 n ASP 399 N 8.86 4.03 -4.83 4.31 3.85 -1.26 -4.98 116.55 126.53 3hs6 n ASP 399 Ca 0.00 -2.39 -0.28 0.00 -0.71 0.00 0.00 54.79 51.40 3hs6 n ASP 399 Cb 0.00 -0.47 -0.05 0.00 -1.35 0.00 0.00 41.12 39.25 3hs6 n ASP 399 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 3hs6 s GLN 400 N -1.72 3.05 -0.38 0.11 -1.52 -0.12 -5.09 119.66 113.98 3hs6 s GLN 400 Ca 0.42 -0.70 0.01 0.00 -1.95 0.00 0.00 55.36 53.14 3hs6 s GLN 400 Cb 0.27 -2.78 0.12 0.00 -0.22 0.00 0.00 33.01 30.40 3hs6 s GLN 400 CO 0.20 0.54 0.17 -1.21 -0.25 0.00 0.00 175.29 174.74 3hs6 s GLU 401 N -2.76 1.07 0.02 2.91 2.02 -1.26 -2.03 118.70 118.66 3hs6 s GLU 401 Ca 0.31 -1.63 -0.24 0.00 0.02 0.00 0.00 54.97 53.43 3hs6 s GLU 401 Cb -0.11 -2.24 -0.05 0.00 0.10 0.00 0.00 34.13 31.82 3hs6 s GLU 401 CO 0.24 -1.08 0.73 0.71 0.02 0.00 0.00 175.26 175.88 3hs6 s TYR 402 N 0.88 3.70 0.98 1.61 2.02 -0.31 -4.83 117.35 121.40 3hs6 s TYR 402 Ca 0.14 1.40 -0.14 0.00 -0.37 0.00 0.00 57.07 58.10 3hs6 s TYR 402 Cb -0.21 -2.79 0.18 0.00 -0.40 0.00 0.00 41.96 38.73 3hs6 s TYR 402 CO -0.10 0.25 1.15 -1.54 -1.57 0.00 0.00 175.55 173.74 3hs6 s SER 403 N 0.08 2.88 0.15 2.29 1.04 -1.26 -0.28 113.70 118.60 3hs6 s SER 403 Ca 0.37 0.84 -0.16 0.00 0.48 0.00 0.00 55.95 57.48 3hs6 s SER 403 Cb -0.20 -1.31 0.02 0.00 0.10 0.00 0.00 66.02 64.64 3hs6 s SER 403 CO 0.21 -2.93 1.79 -0.26 0.98 0.00 0.00 173.24 173.04 3hs6 h PHE 404 N -1.76 0.40 -0.99 5.02 -1.00 -1.97 -0.67 116.94 115.97 3hs6 h PHE 404 Ca -0.49 0.01 0.11 0.00 2.81 0.00 0.00 57.97 60.41 3hs6 h PHE 404 Cb 1.31 -0.13 -0.08 0.00 3.61 0.00 0.00 35.95 40.67 3hs6 h PHE 404 CO -0.31 0.24 0.63 -0.22 -1.61 0.00 0.00 178.31 177.04 3hs6 h LYS 405 N 0.44 0.98 0.04 1.51 3.11 -1.94 -1.29 116.57 119.42 3hs6 h LYS 405 Ca 0.15 -0.06 -0.25 0.00 -2.81 0.00 0.00 60.65 57.68 3hs6 h LYS 405 Cb 0.01 -0.22 0.01 0.00 -1.00 0.00 0.00 32.23 31.02 3hs6 h LYS 405 CO -0.07 0.65 -1.04 1.96 -2.81 0.00 0.00 179.45 178.14 3hs6 h GLN 406 N 1.01 0.43 -0.04 1.90 4.20 -1.85 -3.35 115.11 117.41 3hs6 h GLN 406 Ca 0.48 -0.52 -0.19 0.00 0.06 0.00 0.00 58.65 58.48 3hs6 h GLN 406 Cb 0.43 0.16 0.01 0.00 0.30 0.00 0.00 27.48 28.38 3hs6 h GLN 406 CO -0.24 1.18 -0.73 0.35 -0.67 0.00 0.00 178.83 178.72 3hs6 h PHE 407 N 0.22 0.81 -3.08 2.96 3.57 -0.67 -3.42 116.94 117.32 3hs6 h PHE 407 Ca -0.11 -0.41 -0.53 0.00 3.53 0.00 0.00 57.97 60.46 3hs6 h PHE 407 Cb 1.70 -0.10 0.05 0.00 2.79 0.00 0.00 35.95 40.39 3hs6 h PHE 407 CO 0.07 1.23 0.84 -0.51 -2.23 0.00 0.00 178.31 177.71 3hs6 s LEU 408 N -8.34 4.37 -1.75 0.59 1.43 -0.53 -2.68 118.68 111.77 3hs6 s LEU 408 Ca -0.12 2.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 3hs6 s LEU 408 Cb 0.05 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.67 3hs6 s LEU 408 CO 0.86 -0.79 0.00 -1.22 0.23 0.00 0.00 176.35 175.43 3hs6 n TYR 409 N 3.19 -0.00 -3.83 0.29 4.01 0.15 -4.95 117.16 116.02 3hs6 n TYR 409 Ca 0.11 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.52 3hs6 n TYR 409 Cb 0.39 -2.86 -0.11 0.00 -0.31 0.00 0.00 39.34 36.45 3hs6 n TYR 409 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3hs6 s ASN 410 N -2.83 4.88 0.12 7.72 3.84 -1.09 -4.90 114.94 122.68 3hs6 s ASN 410 Ca 0.00 -3.18 0.27 0.00 0.21 0.00 0.00 52.86 50.16 3hs6 s ASN 410 Cb 0.00 -1.74 0.87 0.00 -0.55 0.00 0.00 41.25 39.83 3hs6 s ASN 410 CO 0.00 -0.25 1.74 0.59 -2.79 0.00 0.00 177.10 176.40 3hs6 n ASN 411 N 2.96 0.52 -0.27 -4.21 3.02 -1.26 -3.13 115.26 112.89 3hs6 n ASN 411 Ca 0.10 0.44 0.09 0.00 -0.03 0.00 0.00 54.58 55.18 3hs6 n ASN 411 Cb 0.35 -0.51 0.34 0.00 -0.61 0.00 0.00 39.78 39.35 3hs6 n ASN 411 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3hs6 h SER 412 N 0.00 0.72 -0.98 6.41 0.02 -1.95 -1.17 113.55 116.60 3hs6 h SER 412 Ca 0.00 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.04 3hs6 h SER 412 Cb 0.65 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 63.00 3hs6 h SER 412 CO 0.00 0.40 0.63 0.40 -1.14 0.00 0.00 176.83 177.12 3hs6 h ILE 413 N 0.78 1.08 -0.13 3.27 2.04 -1.95 0.91 117.51 123.52 3hs6 h ILE 413 Ca 0.42 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 3hs6 h ILE 413 Cb 0.55 -0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3hs6 h ILE 413 CO -0.19 0.21 -0.05 0.25 0.00 0.00 0.00 178.15 178.37 3hs6 h LEU 414 N 1.15 0.26 -1.23 1.44 5.85 -1.43 -2.70 115.31 118.66 3hs6 h LEU 414 Ca 0.42 -0.40 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 3hs6 h LEU 414 Cb 0.16 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3hs6 h LEU 414 CO -0.17 0.61 -0.35 -0.07 -0.34 0.00 0.00 178.44 178.12 3hs6 h LEU 415 N -0.08 0.07 0.03 2.25 3.38 -1.05 0.09 115.31 120.01 3hs6 h LEU 415 Ca 0.03 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3hs6 h LEU 415 Cb 0.51 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.25 3hs6 h LEU 415 CO 0.02 0.42 -0.38 -0.08 0.09 0.00 0.00 178.44 178.51 3hs6 h GLU 416 N 0.06 0.20 0.17 1.13 4.81 -0.83 -3.36 114.58 116.77 3hs6 h GLU 416 Ca 0.01 -0.26 -0.30 0.00 -0.13 0.00 0.00 59.36 58.68 3hs6 h GLU 416 Cb 0.64 0.08 0.02 0.00 0.63 0.00 0.00 28.75 30.12 3hs6 h GLU 416 CO 0.05 1.03 -1.38 0.45 -0.73 0.00 0.00 179.01 178.43 3hs6 h HIS 417 N -0.52 0.67 0.00 0.92 3.86 -1.51 -3.51 115.15 115.06 3hs6 h HIS 417 Ca -0.06 -0.49 0.00 0.00 -1.16 0.00 0.00 60.37 58.67 3hs6 h HIS 417 Cb 1.19 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.64 3hs6 h HIS 417 CO 0.20 1.41 0.00 0.41 0.86 0.00 0.00 177.93 180.81 3hs6 n GLY 418 N 1.63 0.45 0.26 2.45 0.00 0.02 -4.32 105.19 105.68 3hs6 n GLY 418 Ca -0.13 -1.73 -0.02 0.00 0.00 0.00 0.00 46.02 44.13 3hs6 n GLY 418 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hs6 h LEU 419 N 0.00 0.52 -0.17 0.99 4.07 -1.95 -2.04 115.31 116.73 3hs6 h LEU 419 Ca 0.00 -0.14 -0.00 0.00 0.08 0.00 0.00 57.88 57.82 3hs6 h LEU 419 Cb 0.00 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 3hs6 h LEU 419 CO 0.00 0.67 0.09 0.74 -1.08 0.00 0.00 178.44 178.87 3hs6 h THR 420 N 0.50 1.10 -0.60 0.22 2.02 -1.86 -0.35 112.91 113.94 3hs6 h THR 420 Ca 0.09 -0.26 -0.08 0.00 0.77 0.00 0.00 66.41 66.94 3hs6 h THR 420 Cb 0.49 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 3hs6 h THR 420 CO 0.03 0.09 0.08 1.56 0.37 0.00 0.00 175.52 177.65 3hs6 h GLN 421 N 0.18 1.00 -0.12 6.66 1.08 -1.74 -0.84 115.11 121.33 3hs6 h GLN 421 Ca 0.06 -0.28 0.04 0.00 -1.45 0.00 0.00 58.65 57.02 3hs6 h GLN 421 Cb 0.06 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.33 3hs6 h GLN 421 CO -0.01 0.96 -0.18 0.74 -0.95 0.00 0.00 178.83 179.38 3hs6 h PHE 422 N 0.91 -0.47 -0.06 2.96 -1.00 -1.16 0.68 116.94 118.79 3hs6 h PHE 422 Ca 0.18 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.99 3hs6 h PHE 422 Cb 0.45 0.23 -0.01 0.00 3.61 0.00 0.00 35.95 40.23 3hs6 h PHE 422 CO 0.03 -0.26 0.00 0.28 -1.61 0.00 0.00 178.31 176.75 3hs6 h VAL 423 N -0.24 0.96 -0.79 -0.55 2.07 -0.94 0.58 116.25 117.34 3hs6 h VAL 423 Ca 0.09 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.65 3hs6 h VAL 423 Cb 0.37 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 3hs6 h VAL 423 CO -0.26 0.00 0.49 -0.33 0.02 0.00 0.00 177.57 177.50 3hs6 h GLU 424 N 0.02 0.90 -0.04 1.57 5.08 -0.94 -0.60 114.58 120.58 3hs6 h GLU 424 Ca 0.03 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3hs6 h GLU 424 Cb 0.03 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 3hs6 h GLU 424 CO -0.04 0.60 -0.05 0.77 -1.00 0.00 0.00 179.01 179.28 3hs6 h SER 425 N 0.93 0.11 0.21 1.42 0.02 -0.56 -3.02 113.55 112.66 3hs6 h SER 425 Ca 0.33 -0.52 -0.06 0.00 -0.84 0.00 0.00 61.79 60.70 3hs6 h SER 425 Cb 0.10 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3hs6 h SER 425 CO -0.15 0.61 -0.25 -0.26 -1.14 0.00 0.00 176.83 175.65 3hs6 h PHE 426 N -0.39 0.08 -0.45 3.45 0.04 -0.78 -1.70 116.94 117.20 3hs6 h PHE 426 Ca 0.00 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 3hs6 h PHE 426 Cb 0.59 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 3hs6 h PHE 426 CO 0.11 0.32 0.06 1.15 -0.60 0.00 0.00 178.31 179.35 3hs6 h THR 427 N 0.07 1.21 0.08 -1.55 2.02 -1.12 -1.84 112.91 111.78 3hs6 h THR 427 Ca 0.01 -0.82 -0.25 0.00 0.77 0.00 0.00 66.41 66.12 3hs6 h THR 427 Cb 0.48 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3hs6 h THR 427 CO 0.03 0.29 -1.12 0.03 0.37 0.00 0.00 175.52 175.13 3hs6 h ARG 428 N 0.67 0.24 -5.82 6.66 3.08 -1.22 -3.41 114.38 114.58 3hs6 h ARG 428 Ca 0.14 -0.37 -0.59 0.00 0.07 0.00 0.00 59.98 59.24 3hs6 h ARG 428 Cb 0.32 0.13 -0.08 0.00 0.08 0.00 0.00 29.97 30.42 3hs6 h ARG 428 CO 0.01 1.14 0.48 -1.14 -1.07 0.00 0.00 179.97 179.38 3hs6 s GLN 429 N -2.82 4.20 0.45 0.04 0.74 -0.72 -4.93 119.66 116.62 3hs6 s GLN 429 Ca -0.03 0.97 -0.22 0.00 0.05 0.00 0.00 55.36 56.12 3hs6 s GLN 429 Cb 0.08 -3.64 -0.08 0.00 1.10 0.00 0.00 33.01 30.47 3hs6 s GLN 429 CO 0.87 -0.51 1.10 -1.50 -0.55 0.00 0.00 175.29 174.70 3hs6 s ILE 430 N 2.79 3.45 0.51 -2.34 2.07 -1.26 -1.42 121.20 125.01 3hs6 s ILE 430 Ca 0.36 1.04 0.03 0.00 -1.41 0.00 0.00 60.65 60.66 3hs6 s ILE 430 Cb -0.15 -3.50 0.02 0.00 0.13 0.00 0.00 42.46 38.96 3hs6 s ILE 430 CO 0.08 -0.06 0.72 0.00 -1.91 0.00 0.00 174.94 173.76 3hs6 s ALA 431 N -1.69 4.01 0.33 1.50 0.00 0.17 -4.79 121.76 121.29 3hs6 s ALA 431 Ca 0.63 -1.37 -0.09 0.00 0.00 0.00 0.00 51.96 51.14 3hs6 s ALA 431 Cb -0.23 -1.99 -0.06 0.00 0.00 0.00 0.00 23.12 20.83 3hs6 s ALA 431 CO 0.29 -0.61 0.66 0.20 0.00 0.00 0.00 175.76 176.30 3hs6 s GLY 432 N -4.39 1.99 0.21 0.00 0.00 -0.46 -0.56 107.32 104.12 3hs6 s GLY 432 Ca 0.56 -0.31 -0.30 0.00 0.00 0.00 0.00 44.72 44.67 3hs6 s GLY 432 CO 0.37 -0.16 1.29 -1.60 0.00 0.00 0.00 173.10 173.01 3hs6 s ARG 433 N -3.53 4.41 -0.14 2.90 3.52 -0.07 -3.82 118.95 122.22 3hs6 s ARG 433 Ca 0.48 2.04 -0.16 0.00 -0.13 0.00 0.00 55.73 57.97 3hs6 s ARG 433 Cb -0.11 -3.19 -0.14 0.00 -1.56 0.00 0.00 34.95 29.96 3hs6 s ARG 433 CO 0.28 -0.21 0.30 0.28 -0.81 0.00 0.00 175.30 175.14 3hs6 h VAL 434 N 3.65 0.84 -3.96 7.11 2.07 -1.84 -3.43 116.25 120.69 3hs6 h VAL 434 Ca -0.45 -1.72 -0.44 0.00 0.82 0.00 0.00 66.70 64.91 3hs6 h VAL 434 Cb 1.22 1.68 0.17 0.00 -1.52 0.00 0.00 31.29 32.83 3hs6 h VAL 434 CO 0.75 0.29 0.36 0.00 0.02 0.00 0.00 177.57 178.99 3hs6 s ALA 435 N -2.42 1.93 0.00 1.67 0.00 -0.24 -4.54 121.76 118.15 3hs6 s ALA 435 Ca -0.14 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.71 3hs6 s ALA 435 Cb 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.31 3hs6 s ALA 435 CO 0.40 -2.62 0.00 0.41 0.00 0.00 0.00 175.76 173.95 3hs6 n GLY 436 N -3.16 0.90 0.00 0.00 0.00 -0.50 -4.89 105.19 97.53 3hs6 n GLY 436 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3hs6 n GLY 436 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hs6 n GLY 437 N -2.00 -1.89 3.88 -0.02 0.00 0.14 -4.90 105.19 100.40 3hs6 n GLY 437 Ca 0.00 -1.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.21 3hs6 n GLY 437 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hs6 n ARG 438 N -1.33 -1.96 -0.21 1.61 1.74 0.25 -4.89 116.66 111.87 3hs6 n ARG 438 Ca 0.00 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 3hs6 n ARG 438 Cb 0.00 -4.05 0.00 0.00 -1.02 0.00 0.00 32.46 27.40 3hs6 n ARG 438 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3hs6 n ASN 439 N -2.75 0.14 -4.65 0.55 5.15 -0.72 -3.97 115.26 109.01 3hs6 n ASN 439 Ca -0.20 -1.50 -0.42 0.00 -0.60 0.00 0.00 54.58 51.86 3hs6 n ASN 439 Cb 0.63 -0.09 -0.04 0.00 -0.53 0.00 0.00 39.78 39.75 3hs6 n ASN 439 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3hs6 s VAL 440 N -0.12 4.80 0.24 3.44 1.01 -0.35 -4.29 120.40 125.14 3hs6 s VAL 440 Ca 0.01 1.65 -0.31 0.00 0.00 0.00 0.00 61.98 63.33 3hs6 s VAL 440 Cb 0.01 -4.16 -0.12 0.00 0.00 0.00 0.00 36.38 32.11 3hs6 s VAL 440 CO 0.00 -0.10 1.68 -2.16 0.00 0.00 0.00 175.10 174.52 3hs6 s PRO 441 N 2.92 4.12 0.47 2.72 0.04 -1.26 -0.86 135.00 143.15 3hs6 s PRO 441 Ca 0.37 2.61 0.29 0.00 0.04 0.00 0.00 61.00 64.31 3hs6 s PRO 441 Cb -0.15 -3.05 1.36 0.00 0.04 0.00 0.00 34.50 32.70 3hs6 s PRO 441 CO 0.07 -0.72 1.75 0.82 0.04 0.00 0.00 177.00 178.96 3hs6 h ILE 442 N 3.65 0.39 -0.06 0.56 5.03 -1.95 -1.16 117.51 123.97 3hs6 h ILE 442 Ca -0.44 -0.06 0.02 0.00 -0.12 0.00 0.00 64.86 64.25 3hs6 h ILE 442 Cb 1.21 0.20 -0.00 0.00 -3.03 0.00 0.00 36.82 35.20 3hs6 h ILE 442 CO 0.90 0.03 0.05 0.00 -0.68 0.00 0.00 178.15 178.45 3hs6 h ALA 443 N 1.50 1.99 -0.34 1.87 0.00 -1.99 -2.37 119.26 119.92 3hs6 h ALA 443 Ca 0.64 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.40 3hs6 h ALA 443 Cb 2.09 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.80 3hs6 h ALA 443 CO -0.19 -0.08 -0.04 1.33 0.00 0.00 0.00 179.25 180.27 3hs6 n VAL 444 N -4.42 2.49 -0.15 0.00 0.24 -0.44 -4.76 118.33 111.31 3hs6 n VAL 444 Ca -0.02 -2.52 0.01 0.00 -2.04 0.00 0.00 64.34 59.77 3hs6 n VAL 444 Cb 0.15 -0.31 0.28 0.00 -1.47 0.00 0.00 33.84 32.50 3hs6 n VAL 444 CO 0.00 0.00 0.00 0.06 -2.14 0.00 0.00 176.83 174.75 3hs6 h GLN 445 N 1.15 0.85 -0.68 7.34 3.07 -1.43 -2.07 115.11 123.33 3hs6 h GLN 445 Ca 0.18 -0.07 -0.04 0.00 0.09 0.00 0.00 58.65 58.81 3hs6 h GLN 445 Cb 1.63 -0.18 -0.03 0.00 0.08 0.00 0.00 27.48 28.97 3hs6 h GLN 445 CO 0.36 0.59 0.27 0.00 0.09 0.00 0.00 178.83 180.14 3hs6 h ALA 446 N 1.56 1.19 -0.13 0.06 0.00 -1.85 -1.27 119.26 118.82 3hs6 h ALA 446 Ca 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hs6 h ALA 446 Cb -0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3hs6 h ALA 446 CO -0.04 0.59 0.06 0.28 0.00 0.00 0.00 179.25 180.13 3hs6 h VAL 447 N 0.98 1.13 -0.73 0.00 2.07 -1.76 -1.44 116.25 116.50 3hs6 h VAL 447 Ca 0.23 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 3hs6 h VAL 447 Cb 0.20 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3hs6 h VAL 447 CO -0.02 0.12 0.33 0.00 0.02 0.00 0.00 177.57 178.02 3hs6 h ALA 448 N 0.92 1.20 -0.22 1.67 0.00 -1.06 -2.03 119.26 119.73 3hs6 h ALA 448 Ca 0.04 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3hs6 h ALA 448 Cb 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3hs6 h ALA 448 CO -0.00 0.60 -0.27 -0.22 0.00 0.00 0.00 179.25 179.35 3hs6 h LYS 449 N 1.05 0.43 -0.05 0.00 3.64 -1.11 -2.59 116.57 117.94 3hs6 h LYS 449 Ca 0.25 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 3hs6 h LYS 449 Cb 0.14 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3hs6 h LYS 449 CO -0.03 0.67 -0.35 0.00 -2.27 0.00 0.00 179.45 177.47 3hs6 h ALA 450 N 1.34 1.33 -0.49 5.00 0.00 -0.58 -1.21 119.26 124.65 3hs6 h ALA 450 Ca 0.05 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 3hs6 h ALA 450 Cb 0.68 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3hs6 h ALA 450 CO 0.05 0.48 -0.18 0.77 0.00 0.00 0.00 179.25 180.37 3hs6 h SER 451 N 0.08 1.00 0.05 0.00 0.02 -1.01 0.21 113.55 113.90 3hs6 h SER 451 Ca 0.01 -0.38 -0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3hs6 h SER 451 Cb 0.66 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3hs6 h SER 451 CO 0.05 1.16 -0.02 0.40 -1.14 0.00 0.00 176.83 177.27 3hs6 h ILE 452 N 0.83 1.19 -0.62 3.27 2.04 -1.42 -2.04 117.51 120.76 3hs6 h ILE 452 Ca 0.11 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.21 3hs6 h ILE 452 Cb 0.75 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.50 3hs6 h ILE 452 CO 0.06 0.20 0.36 0.44 0.00 0.00 0.00 178.15 179.21 3hs6 h ASP 453 N -0.42 0.57 0.50 1.72 3.32 -1.09 -2.20 116.42 118.82 3hs6 h ASP 453 Ca -0.01 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.87 3hs6 h ASP 453 Cb 0.38 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3hs6 h ASP 453 CO 0.01 0.39 -0.82 1.56 -1.72 0.00 0.00 179.24 178.67 3hs6 h GLN 454 N 0.70 0.23 -0.93 3.56 4.20 -0.65 -1.48 115.11 120.75 3hs6 h GLN 454 Ca 0.26 -0.23 0.12 0.00 0.06 0.00 0.00 58.65 58.86 3hs6 h GLN 454 Cb 0.08 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 27.83 3hs6 h GLN 454 CO -0.13 0.93 0.56 0.77 -0.67 0.00 0.00 178.83 180.29 3hs6 h SER 455 N 0.14 0.79 -0.22 1.46 0.02 -1.09 -0.81 113.55 113.84 3hs6 h SER 455 Ca -0.04 0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 60.83 3hs6 h SER 455 Cb 1.42 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.86 3hs6 h SER 455 CO 0.13 0.41 -0.39 0.03 -1.14 0.00 0.00 176.83 175.87 3hs6 h ARG 456 N 0.87 0.65 0.00 3.45 3.08 -0.97 -1.25 114.38 120.21 3hs6 h ARG 456 Ca 0.47 -0.41 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3hs6 h ARG 456 Cb 0.50 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 3hs6 h ARG 456 CO -0.28 1.02 -0.07 1.05 -1.07 0.00 0.00 179.97 180.63 3hs6 h GLU 457 N 0.35 0.00 -0.01 0.04 4.11 -1.09 -1.98 114.58 116.00 3hs6 h GLU 457 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 3hs6 h GLU 457 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3hs6 h GLU 457 CO 0.09 0.07 -0.02 -1.33 0.07 0.00 0.00 179.01 177.89 3hs6 n MET 458 N -3.14 1.25 -3.62 1.06 2.81 -0.33 -4.96 117.12 110.19 3hs6 n MET 458 Ca 0.02 -0.46 -0.22 0.00 -1.81 0.00 0.00 57.70 55.23 3hs6 n MET 458 Cb 0.44 -1.49 0.06 0.00 -0.71 0.00 0.00 33.22 31.52 3hs6 n MET 458 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3hs6 n LYS 459 N -0.48 -6.54 -1.73 0.03 4.76 -0.74 -4.81 118.16 108.65 3hs6 n LYS 459 Ca 0.20 0.75 -0.42 0.00 -2.87 0.00 0.00 58.31 55.98 3hs6 n LYS 459 Cb 0.24 -5.67 -0.01 0.00 -1.84 0.00 0.00 35.03 27.74 3hs6 n LYS 459 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3hs6 n TYR 460 N -4.54 2.71 -0.76 2.13 4.02 -0.53 -1.85 117.16 118.33 3hs6 n TYR 460 Ca -0.14 0.33 -0.29 0.00 -0.01 0.00 0.00 57.90 57.79 3hs6 n TYR 460 Cb 0.61 -2.55 0.25 0.00 -0.02 0.00 0.00 39.34 37.63 3hs6 n TYR 460 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 3hs6 s GLN 461 N -0.80 -1.34 0.76 -0.72 -0.21 -1.26 -4.82 119.66 111.28 3hs6 s GLN 461 Ca 0.63 0.33 -0.12 0.00 0.02 0.00 0.00 55.36 56.22 3hs6 s GLN 461 Cb -0.53 -1.55 0.05 0.00 1.00 0.00 0.00 33.01 31.99 3hs6 s GLN 461 CO 0.52 -3.88 1.11 -1.54 -2.12 0.00 0.00 175.29 169.38 3hs6 s SER 462 N -3.24 4.89 0.16 5.90 1.04 -1.26 -4.63 113.70 116.57 3hs6 s SER 462 Ca 0.69 1.12 -0.17 0.00 0.48 0.00 0.00 55.95 58.07 3hs6 s SER 462 Cb -0.17 -1.84 0.09 0.00 0.10 0.00 0.00 66.02 64.21 3hs6 s SER 462 CO 0.59 -1.69 1.69 0.25 0.98 0.00 0.00 173.24 175.06 3hs6 h LEU 463 N -0.90 -0.24 -1.39 2.42 5.85 -1.30 -1.79 115.31 117.96 3hs6 h LEU 463 Ca -0.46 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 3hs6 h LEU 463 Cb 1.27 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.48 3hs6 h LEU 463 CO 0.63 -0.08 0.11 0.78 -0.34 0.00 0.00 178.44 179.54 3hs6 h ASN 464 N 0.06 0.47 -0.57 1.25 2.35 -1.85 0.61 115.58 117.90 3hs6 h ASN 464 Ca 0.19 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 3hs6 h ASN 464 Cb 0.27 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 3hs6 h ASN 464 CO -0.35 0.46 0.22 -0.33 -1.65 0.00 0.00 177.43 175.78 3hs6 h GLU 465 N 0.51 0.86 -0.18 0.81 4.39 -1.77 -1.78 114.58 117.41 3hs6 h GLU 465 Ca 0.12 -0.16 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 3hs6 h GLU 465 Cb 0.16 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3hs6 h GLU 465 CO -0.01 0.75 -0.30 1.88 -1.16 0.00 0.00 179.01 180.17 3hs6 h TYR 466 N 0.79 0.41 -0.41 4.33 -1.99 -0.45 -1.40 116.97 118.25 3hs6 h TYR 466 Ca 0.19 -0.09 -0.07 0.00 2.00 0.00 0.00 58.73 60.76 3hs6 h TYR 466 Cb 0.21 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 3hs6 h TYR 466 CO 0.01 0.63 -0.01 0.00 -0.00 0.00 0.00 178.16 178.79 3hs6 h ARG 467 N 0.32 0.72 -0.17 4.88 3.08 -0.74 -2.60 114.38 119.87 3hs6 h ARG 467 Ca 0.04 -0.23 -0.14 0.00 0.07 0.00 0.00 59.98 59.72 3hs6 h ARG 467 Cb 0.69 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 3hs6 h ARG 467 CO 0.05 0.81 -0.49 0.87 -1.07 0.00 0.00 179.97 180.14 3hs6 h LYS 468 N 0.55 0.45 -0.26 0.04 1.57 -1.17 0.26 116.57 118.01 3hs6 h LYS 468 Ca 0.11 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3hs6 h LYS 468 Cb 0.49 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3hs6 h LYS 468 CO 0.02 0.84 0.18 -0.09 -0.57 0.00 0.00 179.45 179.83 3hs6 h ARG 469 N 0.36 0.35 -0.67 3.15 9.65 -1.21 -2.45 114.38 123.56 3hs6 h ARG 469 Ca 0.02 -0.02 -0.25 0.00 -1.10 0.00 0.00 59.98 58.63 3hs6 h ARG 469 Cb 0.99 -0.08 -0.15 0.00 -1.39 0.00 0.00 29.97 29.35 3hs6 h ARG 469 CO 0.09 0.23 0.26 1.19 2.80 0.00 0.00 179.97 184.53 3hs6 n PHE 470 N -4.50 2.15 -2.77 2.20 3.01 -0.96 -4.94 117.46 111.66 3hs6 n PHE 470 Ca 0.01 -1.38 -0.19 0.00 1.01 0.00 0.00 57.45 56.90 3hs6 n PHE 470 Cb 0.07 -0.66 0.02 0.00 -0.01 0.00 0.00 39.48 38.90 3hs6 n PHE 470 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3hs6 n SER 471 N -0.59 -5.51 -4.60 4.37 7.64 -0.92 -4.99 113.62 109.02 3hs6 n SER 471 Ca 0.41 -0.19 -0.32 0.00 1.01 0.00 0.00 58.87 59.78 3hs6 n SER 471 Cb 1.33 -4.40 -0.10 0.00 -1.01 0.00 0.00 64.21 60.02 3hs6 n SER 471 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hs6 s LEU 472 N -5.72 3.21 0.21 -3.43 1.43 0.87 -5.00 118.68 110.24 3hs6 s LEU 472 Ca 0.19 -0.11 -0.32 0.00 -1.03 0.00 0.00 54.13 52.87 3hs6 s LEU 472 Cb -0.09 -1.82 -0.11 0.00 0.03 0.00 0.00 46.19 44.20 3hs6 s LEU 472 CO 0.24 0.29 1.65 -1.59 0.23 0.00 0.00 176.35 177.17 3hs6 s LYS 473 N -1.35 4.16 0.52 1.70 0.00 -1.26 -3.49 119.74 120.01 3hs6 s LYS 473 Ca 0.17 2.52 -0.22 0.00 0.00 0.00 0.00 55.97 58.43 3hs6 s LYS 473 Cb -0.11 -3.09 -0.06 0.00 0.00 0.00 0.00 37.83 34.57 3hs6 s LYS 473 CO 0.07 -0.68 1.30 -1.25 0.00 0.00 0.00 175.35 174.78 3hs6 s PRO 474 N 0.91 3.35 0.16 1.78 0.04 -1.26 -4.91 135.00 135.07 3hs6 s PRO 474 Ca 0.71 2.09 -0.31 0.00 0.04 0.00 0.00 61.00 63.54 3hs6 s PRO 474 Cb -0.47 -2.31 -0.09 0.00 0.04 0.00 0.00 34.50 31.67 3hs6 s PRO 474 CO 0.34 -0.98 1.40 0.71 0.04 0.00 0.00 177.00 178.51 3hs6 s TYR 475 N -1.38 3.20 -0.96 0.56 2.02 -1.26 -4.93 117.35 114.60 3hs6 s TYR 475 Ca 0.69 1.00 0.24 0.00 -0.37 0.00 0.00 57.07 58.62 3hs6 s TYR 475 Cb -0.37 -3.71 0.33 0.00 -0.40 0.00 0.00 41.96 37.82 3hs6 s TYR 475 CO 0.44 -2.41 1.29 0.25 -1.57 0.00 0.00 175.55 173.55 3hs6 n THR 476 N 3.39 0.02 -3.44 -0.71 -2.24 -1.26 -4.81 114.28 105.23 3hs6 n THR 476 Ca 0.10 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.72 3hs6 n THR 476 Cb 0.42 0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 3hs6 n THR 476 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hs6 s SER 477 N -3.10 -0.57 0.32 3.42 1.04 -1.26 -4.94 113.70 108.60 3hs6 s SER 477 Ca 0.10 0.07 0.04 0.00 0.48 0.00 0.00 55.95 56.64 3hs6 s SER 477 Cb 0.17 0.59 0.54 0.00 0.10 0.00 0.00 66.02 67.42 3hs6 s SER 477 CO 0.74 -0.92 1.82 -0.26 0.98 0.00 0.00 173.24 175.59 3hs6 h PHE 478 N 2.14 0.51 -0.21 5.02 0.04 -1.92 -2.45 116.94 120.05 3hs6 h PHE 478 Ca -0.33 -0.07 -0.05 0.00 2.80 0.00 0.00 57.97 60.32 3hs6 h PHE 478 Cb 1.29 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 39.29 3hs6 h PHE 478 CO 0.25 0.58 -0.08 0.93 -0.60 0.00 0.00 178.31 179.39 3hs6 h GLU 479 N 0.44 0.33 -0.33 1.51 5.08 -1.86 -1.74 114.58 118.02 3hs6 h GLU 479 Ca 0.08 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 3hs6 h GLU 479 Cb 0.47 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3hs6 h GLU 479 CO 0.03 0.43 -0.32 1.49 -1.00 0.00 0.00 179.01 179.63 3hs6 h GLU 480 N 0.32 0.71 -0.19 2.33 4.81 -1.78 0.20 114.58 120.98 3hs6 h GLU 480 Ca 0.07 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 3hs6 h GLU 480 Cb 0.35 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3hs6 h GLU 480 CO 0.02 0.94 0.05 1.25 -0.73 0.00 0.00 179.01 180.53 3hs6 h LEU 481 N 0.60 0.29 0.00 1.64 5.85 -1.06 -3.30 115.31 119.34 3hs6 h LEU 481 Ca 0.07 -0.23 -0.20 0.00 0.84 0.00 0.00 57.88 58.35 3hs6 h LEU 481 Cb 0.84 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 3hs6 h LEU 481 CO 0.07 0.45 -1.44 0.71 -0.34 0.00 0.00 178.44 177.90 3hs6 h THR 482 N 0.12 0.66 -1.96 1.05 1.35 -1.36 0.24 112.91 113.01 3hs6 h THR 482 Ca 0.06 -2.26 -0.28 0.00 -0.55 0.00 0.00 66.41 63.38 3hs6 h THR 482 Cb 0.27 2.19 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 3hs6 h THR 482 CO 0.00 0.38 -0.35 0.61 -0.25 0.00 0.00 175.52 175.90 3hs6 n GLY 483 N 1.43 -0.18 3.54 5.82 0.00 0.71 -3.47 105.19 113.05 3hs6 n GLY 483 Ca -0.11 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 3hs6 n GLY 483 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hs6 s GLU 484 N -4.67 1.41 -0.23 1.61 -6.30 -1.23 -5.05 118.70 104.25 3hs6 s GLU 484 Ca 0.00 -0.76 0.02 0.00 -2.50 0.00 0.00 54.97 51.72 3hs6 s GLU 484 Cb 0.00 0.56 -0.19 0.00 0.00 0.00 0.00 34.13 34.49 3hs6 s GLU 484 CO 0.00 -0.61 -0.08 1.63 0.02 0.00 0.00 175.26 176.21 3hs6 n LYS 485 N -0.37 0.67 0.01 4.30 4.01 -1.26 -4.32 118.16 121.20 3hs6 n LYS 485 Ca -0.11 0.16 -0.13 0.00 -0.51 0.00 0.00 58.31 57.72 3hs6 n LYS 485 Cb 0.63 -1.56 -0.10 0.00 -0.51 0.00 0.00 35.03 33.49 3hs6 n LYS 485 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 3hs6 h GLU 486 N 0.01 -0.06 -0.34 1.97 4.81 -1.99 -2.16 114.58 116.81 3hs6 h GLU 486 Ca -0.54 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.55 3hs6 h GLU 486 Cb 1.95 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.34 3hs6 h GLU 486 CO -0.04 0.43 -0.34 0.52 -0.73 0.00 0.00 179.01 178.84 3hs6 h MET 487 N -0.59 0.77 -0.72 1.92 2.86 -1.97 -2.74 114.93 114.46 3hs6 h MET 487 Ca -0.01 -0.37 0.04 0.00 -2.06 0.00 0.00 59.70 57.30 3hs6 h MET 487 Cb 0.52 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.13 3hs6 h MET 487 CO 0.01 0.99 0.44 0.00 1.06 0.00 0.00 176.91 179.42 3hs6 h ALA 488 N 0.97 0.94 -0.67 6.32 0.00 -1.75 -0.31 119.26 124.77 3hs6 h ALA 488 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3hs6 h ALA 488 Cb 0.88 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3hs6 h ALA 488 CO 0.08 0.20 0.33 0.00 0.00 0.00 0.00 179.25 179.86 3hs6 h ALA 489 N 1.32 0.87 -0.55 0.00 0.00 -1.28 0.79 119.26 120.40 3hs6 h ALA 489 Ca 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3hs6 h ALA 489 Cb 0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3hs6 h ALA 489 CO -0.12 0.42 0.31 1.49 0.00 0.00 0.00 179.25 181.35 3hs6 h GLU 490 N 0.93 0.77 -0.12 0.00 4.57 -1.11 -2.28 114.58 117.35 3hs6 h GLU 490 Ca 0.23 -0.09 -0.12 0.00 -1.18 0.00 0.00 59.36 58.20 3hs6 h GLU 490 Cb 0.11 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 3hs6 h GLU 490 CO -0.03 0.59 -0.47 -0.07 -1.18 0.00 0.00 179.01 177.85 3hs6 h LEU 491 N 0.74 0.31 -0.51 1.64 3.38 -0.74 -2.49 115.31 117.64 3hs6 h LEU 491 Ca 0.20 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hs6 h LEU 491 Cb 0.04 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3hs6 h LEU 491 CO -0.03 0.74 0.31 0.50 0.09 0.00 0.00 178.44 180.04 3hs6 h LYS 492 N 0.24 0.70 -0.09 1.13 1.63 -0.63 0.18 116.57 119.72 3hs6 h LYS 492 Ca 0.01 -0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.66 3hs6 h LYS 492 Cb 0.92 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.39 3hs6 h LYS 492 CO 0.07 0.51 -0.33 0.00 -3.45 0.00 0.00 179.45 176.26 3hs6 h ALA 493 N 1.15 1.28 0.18 5.00 0.00 -1.20 -0.41 119.26 125.25 3hs6 h ALA 493 Ca 0.18 -0.34 -0.28 0.00 0.00 0.00 0.00 54.91 54.47 3hs6 h ALA 493 Cb -0.01 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.72 3hs6 h ALA 493 CO -0.03 0.50 -1.33 -0.07 0.00 0.00 0.00 179.25 178.31 3hs6 h LEU 494 N 0.16 0.59 0.00 0.00 3.38 -1.13 -3.40 115.31 114.91 3hs6 h LEU 494 Ca 0.02 -0.92 -0.06 0.00 0.09 0.00 0.00 57.88 57.01 3hs6 h LEU 494 Cb 0.66 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3hs6 h LEU 494 CO 0.05 1.62 -1.89 -1.22 0.09 0.00 0.00 178.44 177.09 3hs6 n TYR 495 N -3.86 0.00 0.00 1.13 4.02 0.02 -4.18 117.16 114.30 3hs6 n TYR 495 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.69 3hs6 n TYR 495 Cb 0.97 -0.50 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 3hs6 n TYR 495 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3hs6 n SER 496 N -2.23 0.00 -4.09 7.72 7.64 -0.17 -4.69 113.62 117.81 3hs6 n SER 496 Ca -0.08 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.52 3hs6 n SER 496 Cb 0.59 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.62 3hs6 n SER 496 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hs6 s ASP 497 N 0.00 2.33 0.48 6.43 -1.08 -1.26 -4.98 116.67 118.59 3hs6 s ASP 497 Ca 0.00 -0.41 0.15 0.00 -0.52 0.00 0.00 52.55 51.78 3hs6 s ASP 497 Cb 0.00 -1.07 1.16 0.00 -1.46 0.00 0.00 42.92 41.55 3hs6 s ASP 497 CO 0.00 0.07 2.06 -0.29 0.52 0.00 0.00 175.17 177.53 3hs6 h ILE 498 N 5.89 0.95 0.00 4.11 6.09 -1.92 -2.09 117.51 130.53 3hs6 h ILE 498 Ca -0.27 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 3hs6 h ILE 498 Cb 1.20 0.72 0.00 0.00 0.47 0.00 0.00 36.82 39.22 3hs6 h ILE 498 CO 0.48 0.04 0.00 0.47 -3.07 0.00 0.00 178.15 176.06 3hs6 n ASP 499 N -4.48 0.00 -0.23 2.19 8.00 -1.26 -2.22 116.55 118.55 3hs6 n ASP 499 Ca 0.04 -0.31 0.02 0.00 0.71 0.00 0.00 54.79 55.25 3hs6 n ASP 499 Cb 0.25 -0.18 0.05 0.00 -0.02 0.00 0.00 41.12 41.21 3hs6 n ASP 499 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3hs6 n VAL 500 N -1.18 0.61 -1.72 2.53 0.24 -0.79 -4.76 118.33 113.26 3hs6 n VAL 500 Ca 0.14 -0.81 -0.43 0.00 -2.04 0.00 0.00 64.34 61.20 3hs6 n VAL 500 Cb 0.15 0.73 -0.03 0.00 -1.47 0.00 0.00 33.84 33.22 3hs6 n VAL 500 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 3hs6 n MET 501 N 0.05 2.63 -2.51 7.34 0.00 -0.94 -4.86 117.12 118.82 3hs6 n MET 501 Ca 0.04 0.94 -0.34 0.00 0.00 0.00 0.00 57.70 58.34 3hs6 n MET 501 Cb 0.24 -2.74 -0.03 0.00 0.00 0.00 0.00 33.22 30.69 3hs6 n MET 501 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 3hs6 s GLU 502 N 0.40 3.80 0.00 2.12 2.02 -1.26 -0.96 118.70 124.81 3hs6 s GLU 502 Ca 0.71 1.29 -0.25 0.00 0.02 0.00 0.00 54.97 56.74 3hs6 s GLU 502 Cb -0.53 -2.10 -0.18 0.00 0.10 0.00 0.00 34.13 31.42 3hs6 s GLU 502 CO 0.40 -0.42 1.30 1.25 0.02 0.00 0.00 175.26 177.81 3hs6 h LEU 503 N 1.43 -0.14 0.39 1.80 5.85 -1.87 -3.04 115.31 119.73 3hs6 h LEU 503 Ca -0.49 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 57.92 3hs6 h LEU 503 Cb 1.21 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 3hs6 h LEU 503 CO 0.59 0.24 -0.24 0.22 -0.34 0.00 0.00 178.44 178.91 3hs6 h TYR 504 N -0.54 -0.63 -0.22 1.25 3.20 -1.95 -1.99 116.97 116.09 3hs6 h TYR 504 Ca -0.02 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 3hs6 h TYR 504 Cb 0.43 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 3hs6 h TYR 504 CO 0.05 -0.37 -0.09 -1.35 -1.64 0.00 0.00 178.16 174.75 3hs6 h PRO 505 N -0.60 0.34 -0.96 1.82 0.11 -1.98 -2.62 132.00 128.10 3hs6 h PRO 505 Ca -0.04 -0.08 0.04 0.00 0.11 0.00 0.00 66.00 66.03 3hs6 h PRO 505 Cb 0.50 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.50 3hs6 h PRO 505 CO 0.04 0.44 0.63 0.00 -0.21 0.00 0.00 178.00 178.90 3hs6 h ALA 506 N 1.59 1.28 -0.26 -0.75 0.00 -1.34 -1.37 119.26 118.41 3hs6 h ALA 506 Ca 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3hs6 h ALA 506 Cb 0.36 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3hs6 h ALA 506 CO 0.02 0.50 0.02 -0.07 0.00 0.00 0.00 179.25 179.72 3hs6 h LEU 507 N 1.20 0.35 0.00 0.00 3.38 -0.98 0.57 115.31 119.83 3hs6 h LEU 507 Ca 0.39 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3hs6 h LEU 507 Cb 0.02 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3hs6 h LEU 507 CO -0.13 0.40 -0.58 -0.07 0.09 0.00 0.00 178.44 178.15 3hs6 h LEU 508 N 0.38 0.00 -1.21 1.67 3.38 -1.30 -3.34 115.31 114.89 3hs6 h LEU 508 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hs6 h LEU 508 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3hs6 h LEU 508 CO 0.00 0.01 -0.13 1.33 0.09 0.00 0.00 178.44 179.73 3hs6 n VAL 509 N -2.79 0.00 -1.99 1.22 0.24 -0.60 0.27 118.33 114.68 3hs6 n VAL 509 Ca 0.02 -0.43 -0.39 0.00 -2.04 0.00 0.00 64.34 61.49 3hs6 n VAL 509 Cb 0.53 1.23 0.00 0.00 -1.47 0.00 0.00 33.84 34.14 3hs6 n VAL 509 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3hs6 s GLU 510 N -1.43 3.88 -0.18 7.34 2.12 0.17 -4.28 118.70 126.32 3hs6 s GLU 510 Ca 0.14 2.22 -0.34 0.00 0.36 0.00 0.00 54.97 57.35 3hs6 s GLU 510 Cb 0.12 -2.72 -0.11 0.00 0.26 0.00 0.00 34.13 31.67 3hs6 s GLU 510 CO 0.26 -0.59 1.98 1.17 -0.54 0.00 0.00 175.26 177.54 3hs6 n LYS 511 N 0.02 1.83 -2.15 4.30 4.81 0.07 -1.41 118.16 125.63 3hs6 n LYS 511 Ca 0.04 0.63 -0.34 0.00 -0.87 0.00 0.00 58.31 57.77 3hs6 n LYS 511 Cb 0.43 -2.63 0.01 0.00 0.02 0.00 0.00 35.03 32.86 3hs6 n LYS 511 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3hs6 s PRO 512 N 4.76 3.33 0.90 1.64 0.02 -1.26 -4.35 135.00 140.04 3hs6 s PRO 512 Ca 0.98 1.39 -0.12 0.00 0.02 0.00 0.00 61.00 63.27 3hs6 s PRO 512 Cb -0.72 -2.02 0.09 0.00 0.02 0.00 0.00 34.50 31.87 3hs6 s PRO 512 CO 0.51 -0.83 0.87 0.54 -0.33 0.00 0.00 177.00 177.76 3hs6 n ARG 513 N -1.68 -0.24 -1.59 5.54 3.00 -0.80 -4.81 116.66 116.08 3hs6 n ARG 513 Ca 0.10 -0.01 -0.46 0.00 -0.01 0.00 0.00 57.85 57.47 3hs6 n ARG 513 Cb 0.52 -2.18 -0.04 0.00 0.00 0.00 0.00 32.46 30.76 3hs6 n ARG 513 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3hs6 n PRO 514 N -3.00 1.95 -1.94 5.56 -0.02 -1.26 -0.82 135.00 135.47 3hs6 n PRO 514 Ca 0.10 0.62 -0.17 0.00 -2.02 0.00 0.00 63.50 62.04 3hs6 n PRO 514 Cb 0.52 -2.89 -0.04 0.00 -0.02 0.00 0.00 33.50 31.07 3hs6 n PRO 514 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3hs6 n ASP 515 N 9.49 -4.96 -4.70 2.55 8.00 -1.26 -5.00 116.55 120.67 3hs6 n ASP 515 Ca 0.29 0.18 -0.26 0.00 0.71 0.00 0.00 54.79 55.72 3hs6 n ASP 515 Cb 0.36 -4.00 -0.07 0.00 -0.02 0.00 0.00 41.12 37.39 3hs6 n ASP 515 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hs6 s ALA 516 N -2.73 3.29 0.27 2.24 0.00 -0.00 -3.69 121.76 121.14 3hs6 s ALA 516 Ca 0.00 -1.39 0.09 0.00 0.00 0.00 0.00 51.96 50.66 3hs6 s ALA 516 Cb 0.00 -1.05 0.37 0.00 0.00 0.00 0.00 23.12 22.44 3hs6 s ALA 516 CO 0.00 0.43 1.63 0.97 0.00 0.00 0.00 175.76 178.79 3hs6 h ILE 517 N 2.22 1.40 -2.59 0.00 2.10 -1.91 -3.42 117.51 115.32 3hs6 h ILE 517 Ca -0.47 -1.96 -0.63 0.00 1.08 0.00 0.00 64.86 62.89 3hs6 h ILE 517 Cb 1.21 2.03 -0.15 0.00 -1.09 0.00 0.00 36.82 38.82 3hs6 h ILE 517 CO 0.59 0.57 -0.78 -0.36 -1.08 0.00 0.00 178.15 177.09 3hs6 s PHE 518 N -3.74 2.32 0.46 2.19 0.08 -1.26 -1.08 117.98 116.95 3hs6 s PHE 518 Ca -0.02 -0.33 0.03 0.00 0.12 0.00 0.00 56.93 56.73 3hs6 s PHE 518 Cb 0.13 -1.06 0.09 0.00 -0.57 0.00 0.00 43.02 41.60 3hs6 s PHE 518 CO 0.77 0.63 0.64 0.41 -0.10 0.00 0.00 175.22 177.57 3hs6 n GLY 519 N -0.29 1.31 0.29 4.36 0.00 -1.26 -1.90 105.19 107.70 3hs6 n GLY 519 Ca -0.08 -2.10 -0.08 0.00 0.00 0.00 0.00 46.02 43.76 3hs6 n GLY 519 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hs6 h GLU 520 N 0.00 1.00 -0.67 1.61 4.81 -1.95 -3.03 114.58 116.35 3hs6 h GLU 520 Ca -0.21 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3hs6 h GLU 520 Cb 0.88 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 3hs6 h GLU 520 CO 0.26 0.92 0.42 1.15 -0.73 0.00 0.00 179.01 181.03 3hs6 h THR 521 N 0.91 1.18 -0.10 0.32 2.02 -1.96 -1.05 112.91 114.24 3hs6 h THR 521 Ca 0.19 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 67.01 3hs6 h THR 521 Cb 0.38 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3hs6 h THR 521 CO 0.01 0.18 0.03 -0.03 0.37 0.00 0.00 175.52 176.08 3hs6 h MET 522 N 0.91 0.08 -0.11 6.66 1.85 -1.90 -1.08 114.93 121.34 3hs6 h MET 522 Ca 0.24 -0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.31 3hs6 h MET 522 Cb -0.07 -0.02 -0.00 0.00 0.43 0.00 0.00 31.60 31.94 3hs6 h MET 522 CO -0.05 0.05 -0.01 0.28 -0.40 0.00 0.00 176.91 176.78 3hs6 h VAL 523 N 0.08 1.27 0.00 -5.77 2.07 -1.48 -0.05 116.25 112.38 3hs6 h VAL 523 Ca 0.04 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 3hs6 h VAL 523 Cb 0.02 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3hs6 h VAL 523 CO -0.05 0.26 -0.32 -0.33 0.02 0.00 0.00 177.57 177.15 3hs6 h GLU 524 N -0.10 0.00 0.12 1.57 4.39 -1.10 0.32 114.58 119.78 3hs6 h GLU 524 Ca 0.03 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.43 3hs6 h GLU 524 Cb 0.40 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3hs6 h GLU 524 CO 0.01 0.32 -1.53 -0.07 -1.16 0.00 0.00 179.01 176.58 3hs6 h LEU 525 N 0.00 0.39 -0.27 1.33 4.07 -1.23 -3.41 115.31 116.19 3hs6 h LEU 525 Ca -0.00 -0.86 -0.03 0.00 0.08 0.00 0.00 57.88 57.07 3hs6 h LEU 525 Cb 0.64 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 3hs6 h LEU 525 CO 0.04 1.67 0.06 1.23 -1.08 0.00 0.00 178.44 180.36 3hs6 h GLY 526 N 0.22 0.47 0.86 0.83 0.00 -0.84 -3.32 103.07 101.29 3hs6 h GLY 526 Ca -0.33 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 46.72 3hs6 h GLY 526 CO 0.06 0.28 0.20 0.00 0.00 0.00 0.00 176.54 177.08 3hs6 h ALA 527 N 0.89 0.47 -0.58 3.60 0.00 -1.14 -1.67 119.26 120.83 3hs6 h ALA 527 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3hs6 h ALA 527 Cb 0.30 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3hs6 h ALA 527 CO 0.00 -0.15 0.16 -1.35 0.00 0.00 0.00 179.25 177.91 3hs6 h PRO 528 N 0.41 0.88 -0.65 0.00 0.11 -1.78 -0.58 132.00 130.39 3hs6 h PRO 528 Ca 0.15 -0.18 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 3hs6 h PRO 528 Cb 0.04 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 30.98 3hs6 h PRO 528 CO -0.09 0.78 0.26 0.74 -0.21 0.00 0.00 178.00 179.48 3hs6 h PHE 529 N 0.85 0.96 -0.01 0.65 0.04 -1.57 -2.70 116.94 115.16 3hs6 h PHE 529 Ca 0.19 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 3hs6 h PHE 529 Cb 0.28 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 3hs6 h PHE 529 CO 0.02 0.73 -0.00 1.03 -0.60 0.00 0.00 178.31 179.49 3hs6 h SER 530 N 0.94 0.02 -0.58 2.17 0.87 -0.66 -2.28 113.55 114.03 3hs6 h SER 530 Ca 0.22 -0.39 0.12 0.00 -1.23 0.00 0.00 61.79 60.51 3hs6 h SER 530 Cb 0.18 -0.01 -0.10 0.00 -0.44 0.00 0.00 62.40 62.03 3hs6 h SER 530 CO -0.02 0.41 -0.02 0.25 -0.53 0.00 0.00 176.83 176.92 3hs6 h LEU 531 N -0.37 -0.30 -0.95 2.23 5.85 -1.11 -0.40 115.31 120.27 3hs6 h LEU 531 Ca 0.00 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3hs6 h LEU 531 Cb 0.40 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 3hs6 h LEU 531 CO 0.00 -0.12 0.43 0.11 -0.34 0.00 0.00 178.44 178.53 3hs6 h LYS 532 N 0.10 1.18 -0.01 1.25 1.79 -1.43 0.24 116.57 119.69 3hs6 h LYS 532 Ca 0.30 -0.15 -0.18 0.00 -2.18 0.00 0.00 60.65 58.43 3hs6 h LYS 532 Cb 0.47 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 3hs6 h LYS 532 CO -0.51 0.88 -0.81 0.78 -1.08 0.00 0.00 179.45 178.71 3hs6 h GLY 533 N 1.19 0.19 0.00 3.86 0.00 -0.76 -2.17 103.07 105.39 3hs6 h GLY 533 Ca 0.29 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3hs6 h GLY 533 CO -0.04 0.28 -0.21 1.41 0.00 0.00 0.00 176.54 177.98 3hs6 h LEU 534 N 0.10 0.00 -1.08 3.11 3.38 -0.88 -3.36 115.31 116.58 3hs6 h LEU 534 Ca -0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3hs6 h LEU 534 Cb 1.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 3hs6 h LEU 534 CO 0.12 0.50 -0.30 0.24 0.09 0.00 0.00 178.44 179.10 3hs6 h MET 535 N -0.79 0.00 0.00 1.13 2.86 -1.13 -3.06 114.93 113.93 3hs6 h MET 535 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hs6 h MET 535 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3hs6 h MET 535 CO 0.00 0.30 0.00 0.41 1.06 0.00 0.00 176.91 178.68 3hs6 n GLY 536 N 0.11 -0.97 3.75 8.32 0.00 -0.81 -4.65 105.19 110.94 3hs6 n GLY 536 Ca -0.00 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 3hs6 n GLY 536 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hs6 s ASN 537 N -2.53 6.76 0.48 1.61 3.84 -1.16 -2.54 114.94 121.40 3hs6 s ASN 537 Ca 0.21 2.59 0.27 0.00 0.21 0.00 0.00 52.86 56.14 3hs6 s ASN 537 Cb 0.14 -2.63 1.33 0.00 -0.55 0.00 0.00 41.25 39.55 3hs6 s ASN 537 CO 0.32 -0.60 1.82 1.55 -2.79 0.00 0.00 177.10 177.40 3hs6 h PRO 538 N 4.70 0.18 0.00 0.43 0.13 -1.87 0.11 132.00 135.68 3hs6 h PRO 538 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3hs6 h PRO 538 Cb 1.22 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3hs6 h PRO 538 CO 0.74 0.12 0.00 0.44 -0.23 0.00 0.00 178.00 179.07 3hs6 n ILE 539 N -4.39 0.95 1.06 -3.56 -5.35 -1.26 -1.60 119.36 105.20 3hs6 n ILE 539 Ca 0.23 0.35 0.12 0.00 -0.27 0.00 0.00 62.75 63.18 3hs6 n ILE 539 Cb 0.98 -1.28 0.29 0.00 -1.74 0.00 0.00 39.64 37.90 3hs6 n ILE 539 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hs6 s SER 541 N -2.88 6.22 0.55 0.00 1.04 -0.63 -4.79 113.70 113.21 3hs6 s SER 541 Ca 0.14 1.85 0.22 0.00 0.48 0.00 0.00 55.95 58.64 3hs6 s SER 541 Cb 0.18 -2.55 1.48 0.00 0.10 0.00 0.00 66.02 65.24 3hs6 s SER 541 CO 0.65 -0.86 2.16 1.55 0.98 0.00 0.00 173.24 177.72 3hs6 h PRO 542 N 1.17 0.00 0.00 4.02 0.13 -1.91 0.66 132.00 136.07 3hs6 h PRO 542 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 3hs6 h PRO 542 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3hs6 h PRO 542 CO 0.59 0.00 -0.18 1.96 -0.23 0.00 0.00 178.00 180.14 3hs6 h GLN 543 N 0.00 0.00 0.01 0.86 1.08 -1.92 -3.31 115.11 111.83 3hs6 h GLN 543 Ca 0.03 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.89 3hs6 h GLN 543 Cb 0.14 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.51 3hs6 h GLN 543 CO -0.00 0.18 -2.08 0.66 -0.95 0.00 0.00 178.83 176.63 3hs6 n TYR 544 N -3.16 0.52 -2.04 2.96 4.02 -0.60 -4.75 117.16 114.11 3hs6 n TYR 544 Ca 0.03 0.17 -0.42 0.00 -0.01 0.00 0.00 57.90 57.67 3hs6 n TYR 544 Cb 0.57 -1.09 0.00 0.00 -0.02 0.00 0.00 39.34 38.80 3hs6 n TYR 544 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 3hs6 n TRP 545 N -2.98 3.95 -3.86 -0.72 -0.00 0.12 -4.60 117.44 109.36 3hs6 n TRP 545 Ca -0.27 -2.93 -0.10 0.00 -0.00 0.00 0.00 57.50 54.20 3hs6 n TRP 545 Cb 1.09 -2.59 -0.08 0.00 -0.00 0.00 0.00 31.31 29.73 3hs6 n TRP 545 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 3hs6 s LYS 546 N 3.57 0.71 0.44 5.87 1.02 -1.26 -4.94 119.74 125.14 3hs6 s LYS 546 Ca 0.50 -0.70 0.11 0.00 0.02 0.00 0.00 55.97 55.90 3hs6 s LYS 546 Cb 0.10 0.29 0.96 0.00 -0.52 0.00 0.00 37.83 38.66 3hs6 s LYS 546 CO -0.03 -0.20 2.03 -1.35 -0.92 0.00 0.00 175.35 174.88 3hs6 h PRO 547 N 3.36 0.24 -0.06 -1.68 0.11 -1.88 -2.89 132.00 129.20 3hs6 h PRO 547 Ca -0.32 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 3hs6 h PRO 547 Cb 1.19 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3hs6 h PRO 547 CO 0.50 0.25 -0.24 0.66 -0.21 0.00 0.00 178.00 178.96 3hs6 h SER 548 N 0.24 0.10 -0.39 -2.05 4.64 -1.93 -0.23 113.55 113.93 3hs6 h SER 548 Ca 0.06 -0.02 0.07 0.00 -0.47 0.00 0.00 61.79 61.43 3hs6 h SER 548 Cb 0.14 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 3hs6 h SER 548 CO 0.00 0.34 0.27 0.74 -0.87 0.00 0.00 176.83 177.31 3hs6 h THR 549 N 0.09 0.90 -0.26 2.95 2.02 -1.76 -2.85 112.91 114.02 3hs6 h THR 549 Ca 0.02 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3hs6 h THR 549 Cb 0.48 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3hs6 h THR 549 CO 0.03 0.04 0.00 0.49 0.37 0.00 0.00 175.52 176.45 3hs6 n PHE 550 N -4.47 0.85 -0.58 3.16 3.72 -0.83 -4.90 117.46 114.43 3hs6 n PHE 550 Ca 0.05 -0.84 0.00 0.00 -0.05 0.00 0.00 57.45 56.61 3hs6 n PHE 550 Cb 0.32 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 3hs6 n PHE 550 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hs6 n GLY 551 N -0.44 0.68 0.00 1.37 0.00 -1.07 -3.98 105.19 101.75 3hs6 n GLY 551 Ca 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3hs6 n GLY 551 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hs6 n GLY 552 N -2.58 -0.33 0.21 -0.02 0.00 -0.16 -4.66 105.19 97.65 3hs6 n GLY 552 Ca 0.00 -2.23 0.01 0.00 0.00 0.00 0.00 46.02 43.81 3hs6 n GLY 552 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hs6 h GLU 553 N 4.86 0.14 -0.16 1.61 4.57 -1.91 -2.53 114.58 121.16 3hs6 h GLU 553 Ca 0.00 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 3hs6 h GLU 553 Cb 0.00 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.57 3hs6 h GLU 553 CO 0.00 0.42 -0.09 0.28 -1.18 0.00 0.00 179.01 178.44 3hs6 h VAL 554 N 0.13 1.32 -0.73 0.32 2.07 -1.91 -1.56 116.25 115.88 3hs6 h VAL 554 Ca 0.02 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 3hs6 h VAL 554 Cb 0.58 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 3hs6 h VAL 554 CO 0.04 0.34 0.33 1.23 0.02 0.00 0.00 177.57 179.53 3hs6 h GLY 555 N 0.00 1.15 1.00 2.17 0.00 -1.66 -2.54 103.07 103.19 3hs6 h GLY 555 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.77 3hs6 h GLY 555 CO 0.03 0.56 0.27 -2.75 0.00 0.00 0.00 176.54 174.65 3hs6 h PHE 556 N 1.04 0.54 0.00 5.60 3.57 -1.46 -2.75 116.94 123.48 3hs6 h PHE 556 Ca 0.25 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 3hs6 h PHE 556 Cb 0.16 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 3hs6 h PHE 556 CO 0.01 0.36 -0.09 -0.22 -2.23 0.00 0.00 178.31 176.14 3hs6 h LYS 557 N 0.56 0.00 -0.43 1.11 1.63 -1.00 -2.10 116.57 116.34 3hs6 h LYS 557 Ca 0.15 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.93 3hs6 h LYS 557 Cb -0.04 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 3hs6 h LYS 557 CO -0.03 0.09 0.17 0.82 -3.45 0.00 0.00 179.45 177.05 3hs6 h ILE 558 N 0.00 1.20 -0.14 2.00 2.04 -1.16 -1.80 117.51 119.65 3hs6 h ILE 558 Ca -0.00 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 3hs6 h ILE 558 Cb 0.17 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3hs6 h ILE 558 CO 0.01 0.23 0.09 0.40 0.00 0.00 0.00 178.15 178.88 3hs6 h ILE 559 N 0.56 1.06 0.00 -0.67 2.04 -1.37 -2.38 117.51 116.75 3hs6 h ILE 559 Ca 0.14 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3hs6 h ILE 559 Cb 0.20 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3hs6 h ILE 559 CO -0.01 0.06 0.00 0.59 0.00 0.00 0.00 178.15 178.78 3hs6 n ASN 560 N -4.97 0.00 0.00 1.72 5.03 -0.84 -2.62 115.26 113.58 3hs6 n ASN 560 Ca -0.04 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.50 3hs6 n ASN 560 Cb 0.04 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 38.45 3hs6 n ASN 560 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3hs6 n THR 561 N -1.36 0.79 -1.96 3.41 -2.24 -0.69 -5.07 114.28 107.16 3hs6 n THR 561 Ca 0.11 -0.89 -0.38 0.00 -2.27 0.00 0.00 64.05 60.62 3hs6 n THR 561 Cb 0.26 0.61 0.02 0.00 -2.10 0.00 0.00 70.33 69.12 3hs6 n THR 561 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hs6 s ALA 562 N -0.79 2.85 0.21 6.98 0.00 -0.90 -4.96 121.76 125.15 3hs6 s ALA 562 Ca 0.00 1.17 -0.18 0.00 0.00 0.00 0.00 51.96 52.95 3hs6 s ALA 562 Cb 0.00 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.65 3hs6 s ALA 562 CO 0.00 -1.11 0.56 -1.54 0.00 0.00 0.00 175.76 173.67 3hs6 s SER 563 N -1.14 -0.28 0.31 0.00 1.04 -1.26 -4.62 113.70 107.76 3hs6 s SER 563 Ca 0.69 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 56.65 3hs6 s SER 563 Cb -0.36 0.61 0.52 0.00 0.10 0.00 0.00 66.02 66.89 3hs6 s SER 563 CO 0.42 -1.10 1.90 -0.29 0.98 0.00 0.00 173.24 175.16 3hs6 h ILE 564 N 2.15 1.20 -0.42 -1.02 6.09 -1.96 -0.03 117.51 123.52 3hs6 h ILE 564 Ca -0.28 -0.62 -0.11 0.00 -1.37 0.00 0.00 64.86 62.48 3hs6 h ILE 564 Cb 1.26 0.56 -0.01 0.00 0.47 0.00 0.00 36.82 39.10 3hs6 h ILE 564 CO 0.35 0.25 -0.16 -0.61 -3.07 0.00 0.00 178.15 174.90 3hs6 h GLN 565 N 0.77 0.84 -0.42 2.19 5.75 -1.97 -2.28 115.11 120.00 3hs6 h GLN 565 Ca 0.18 -0.35 -0.13 0.00 -0.15 0.00 0.00 58.65 58.21 3hs6 h GLN 565 Cb 0.16 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 3hs6 h GLN 565 CO -0.02 0.99 -0.24 0.66 -2.65 0.00 0.00 178.83 177.57 3hs6 h SER 566 N 0.66 0.90 -0.43 -0.69 4.64 -1.87 0.19 113.55 116.94 3hs6 h SER 566 Ca 0.10 -0.34 0.05 0.00 -0.47 0.00 0.00 61.79 61.13 3hs6 h SER 566 Cb 0.71 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.51 3hs6 h SER 566 CO 0.05 1.09 0.18 0.25 -0.87 0.00 0.00 176.83 177.53 3hs6 h LEU 567 N 0.75 0.22 -0.19 5.97 5.85 -0.91 0.70 115.31 127.71 3hs6 h LEU 567 Ca 0.10 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 3hs6 h LEU 567 Cb 0.78 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 3hs6 h LEU 567 CO 0.06 0.16 -0.23 0.40 -0.34 0.00 0.00 178.44 178.50 3hs6 h ILE 568 N 0.37 1.33 -0.46 4.05 5.03 -1.27 -3.16 117.51 123.39 3hs6 h ILE 568 Ca 0.20 -1.41 0.00 0.00 -0.12 0.00 0.00 64.86 63.53 3hs6 h ILE 568 Cb 0.16 1.81 -0.02 0.00 -3.03 0.00 0.00 36.82 35.73 3hs6 h ILE 568 CO -0.18 0.43 0.29 0.00 -0.68 0.00 0.00 178.15 178.02 3hs6 h ASN 570 N 0.62 0.00 0.00 0.00 2.35 -0.95 -3.35 115.58 114.25 3hs6 h ASN 570 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3hs6 h ASN 570 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3hs6 h ASN 570 CO -0.03 0.21 0.00 0.59 -1.65 0.00 0.00 177.43 176.55 3hs6 n ASN 571 N -3.70 0.46 -4.15 5.81 3.02 -1.03 -5.00 115.26 110.68 3hs6 n ASN 571 Ca -0.01 -0.74 -0.32 0.00 -0.03 0.00 0.00 54.58 53.48 3hs6 n ASN 571 Cb 0.33 0.39 -0.16 0.00 -0.61 0.00 0.00 39.78 39.73 3hs6 n ASN 571 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hs6 s VAL 572 N -0.39 1.96 0.09 2.41 1.01 -0.01 -4.94 120.40 120.53 3hs6 s VAL 572 Ca 0.00 -0.92 -0.36 0.00 0.00 0.00 0.00 61.98 60.70 3hs6 s VAL 572 Cb 0.00 -1.75 -0.17 0.00 0.00 0.00 0.00 36.38 34.47 3hs6 s VAL 572 CO 0.00 0.53 1.30 1.17 0.00 0.00 0.00 175.10 178.10 3hs6 n LYS 573 N 4.14 1.08 -0.03 2.72 4.81 -1.26 -1.49 118.16 128.13 3hs6 n LYS 573 Ca -0.20 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 3hs6 n LYS 573 Cb 0.51 -2.00 0.00 0.00 0.02 0.00 0.00 35.03 33.56 3hs6 n LYS 573 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hs6 n GLY 574 N 2.40 1.82 3.52 3.14 0.00 -1.26 -4.45 105.19 110.35 3hs6 n GLY 574 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 3hs6 n GLY 574 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hs6 s PRO 576 N -4.21 4.26 0.44 0.00 0.04 -1.26 -4.94 135.00 129.33 3hs6 s PRO 576 Ca 0.00 1.83 -0.25 0.00 0.04 0.00 0.00 61.00 62.62 3hs6 s PRO 576 Cb -0.00 -2.84 -0.08 0.00 0.04 0.00 0.00 34.50 31.62 3hs6 s PRO 576 CO 0.84 -0.14 1.32 -0.06 0.04 0.00 0.00 177.00 179.00 3hs6 s PHE 577 N -1.35 2.67 0.22 0.56 0.08 -1.26 -4.67 117.98 114.23 3hs6 s PHE 577 Ca 0.53 1.39 -0.13 0.00 0.12 0.00 0.00 56.93 58.84 3hs6 s PHE 577 Cb -0.31 -3.71 0.00 0.00 -0.57 0.00 0.00 43.02 38.44 3hs6 s PHE 577 CO 0.39 -2.32 0.45 -0.08 -0.10 0.00 0.00 175.22 173.56 3hs6 s THR 578 N -1.29 0.02 0.03 0.64 -1.32 -1.26 -4.81 115.64 107.64 3hs6 s THR 578 Ca 0.61 -1.28 -0.06 0.00 -1.21 0.00 0.00 61.69 59.75 3hs6 s THR 578 Cb -0.38 -2.01 0.02 0.00 -1.51 0.00 0.00 72.50 68.62 3hs6 s THR 578 CO 0.48 -0.09 0.27 -1.54 -2.21 0.00 0.00 174.62 171.54 3hs6 n SER 579 N -0.34 -0.36 -1.04 8.08 3.41 -1.26 -4.66 113.62 117.45 3hs6 n SER 579 Ca -0.04 -1.16 0.11 0.00 -0.26 0.00 0.00 58.87 57.52 3hs6 n SER 579 Cb 0.62 0.58 0.26 0.00 -0.26 0.00 0.00 64.21 65.42 3hs6 n SER 579 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3hs6 n PHE 580 N -0.19 0.55 -4.46 7.33 3.72 -1.26 -4.67 117.46 118.48 3hs6 n PHE 580 Ca 0.00 -0.27 -0.22 0.00 -0.05 0.00 0.00 57.45 56.90 3hs6 n PHE 580 Cb 0.14 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.57 3hs6 n PHE 580 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3hs6 s ASN 581 N -1.35 2.93 0.00 4.37 2.20 -1.26 -1.88 114.94 119.95 3hs6 s ASN 581 Ca 0.38 -1.23 0.00 0.00 -0.94 0.00 0.00 52.86 51.07 3hs6 s ASN 581 Cb 0.21 -0.20 0.00 0.00 -2.00 0.00 0.00 41.25 39.26 3hs6 s ASN 581 CO 0.29 -0.36 0.00 0.52 -2.94 0.00 0.00 177.10 174.61