#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 2.32 0.51 -1.40 -0.00 -1.26 -4.86 115.22 110.52 3hs6 n HIS 34 Ca 0.00 0.08 0.06 0.00 -0.00 0.00 0.00 57.72 57.85 3hs6 n HIS 34 Cb 0.00 -2.63 0.29 0.00 -0.00 0.00 0.00 29.99 27.65 3hs6 n HIS 34 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3hs6 n PRO 35 N 5.53 0.10 0.00 1.57 -0.04 -1.26 -1.62 135.00 139.28 3hs6 n PRO 35 Ca 0.20 0.22 0.13 0.00 -0.04 0.00 0.00 63.50 64.02 3hs6 n PRO 35 Cb 0.30 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.65 3hs6 n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hs6 n SER 38 N -4.39 0.73 -3.71 0.00 3.41 -1.26 -3.99 113.62 104.41 3hs6 n SER 38 Ca 0.19 -1.37 -0.31 0.00 -0.26 0.00 0.00 58.87 57.12 3hs6 n SER 38 Cb 0.85 -0.02 0.04 0.00 -0.26 0.00 0.00 64.21 64.82 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 -0.38 -4.68 0.14 4.04 3.02 0.17 -4.91 115.26 112.67 3hs6 n ASN 39 Ca 0.19 -1.01 0.01 0.00 -0.03 0.00 0.00 54.58 53.73 3hs6 n ASN 39 Cb 0.21 -3.36 0.31 0.00 -0.61 0.00 0.00 39.78 36.33 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 -1.90 0.11 -6.30 3.52 0.13 -1.90 -3.43 132.00 122.23 3hs6 h PRO 40 Ca -0.66 -0.05 -0.55 0.00 -0.87 0.00 0.00 66.00 63.87 3hs6 h PRO 40 Cb 1.36 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.46 3hs6 h PRO 40 CO 0.50 0.47 0.55 0.00 -0.23 0.00 0.00 178.00 179.28 3hs6 s GLN 42 N 1.82 2.53 -1.47 0.00 -1.52 -0.34 -4.62 119.66 116.07 3hs6 s GLN 42 Ca 0.50 -1.52 -0.12 0.00 -1.95 0.00 0.00 55.36 52.28 3hs6 s GLN 42 Cb -0.20 -2.34 0.06 0.00 -0.22 0.00 0.00 33.01 30.31 3hs6 s GLN 42 CO 0.21 -0.10 1.04 0.09 -0.25 0.00 0.00 175.29 176.28 3hs6 n ASN 43 N -1.44 -5.14 0.00 5.90 3.02 -1.26 -1.39 115.26 114.95 3hs6 n ASN 43 Ca 0.01 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 3hs6 n ASN 43 Cb 0.62 -4.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 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 -4.77 -0.24 -1.86 3.52 5.12 -1.26 -4.79 116.66 112.38 3hs6 n ARG 44 Ca 0.01 0.06 -0.37 0.00 -1.93 0.00 0.00 57.85 55.62 3hs6 n ARG 44 Cb 0.54 -3.20 0.04 0.00 -1.16 0.00 0.00 32.46 28.69 3hs6 n ARG 44 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3hs6 s GLY 45 N -2.00 2.84 -0.15 -0.13 0.00 -0.49 -4.97 107.32 102.42 3hs6 s GLY 45 Ca 0.00 1.19 -0.06 0.00 0.00 0.00 0.00 44.72 45.86 3hs6 s GLY 45 CO 0.00 1.65 0.03 -0.54 0.00 0.00 0.00 173.10 174.24 3hs6 s GLU 46 N -3.14 3.70 -0.03 2.90 2.02 -0.53 -4.66 118.70 118.95 3hs6 s GLU 46 Ca 0.76 -0.38 -0.13 0.00 0.02 0.00 0.00 54.97 55.25 3hs6 s GLU 46 Cb -0.36 -3.07 -0.05 0.00 0.10 0.00 0.00 34.13 30.74 3hs6 s GLU 46 CO 0.41 0.38 0.34 0.00 0.02 0.00 0.00 175.26 176.40 3hs6 s MET 48 N -1.04 0.12 0.46 0.00 0.00 -0.71 -5.00 119.30 113.12 3hs6 s MET 48 Ca 0.21 0.38 -0.23 0.00 0.00 0.00 0.00 55.69 56.05 3hs6 s MET 48 Cb -0.15 -0.14 -0.08 0.00 0.00 0.00 0.00 34.83 34.46 3hs6 s MET 48 CO 0.11 -0.15 1.12 -1.54 0.00 0.00 0.00 175.02 174.56 3hs6 s SER 49 N 1.07 6.28 -0.40 1.11 1.04 -1.26 -0.36 113.70 121.18 3hs6 s SER 49 Ca -0.08 2.19 0.02 0.00 0.48 0.00 0.00 55.95 58.56 3hs6 s SER 49 Cb -0.10 -2.59 0.15 0.00 0.10 0.00 0.00 66.02 63.58 3hs6 s SER 49 CO -0.06 -0.83 0.27 0.42 0.98 0.00 0.00 173.24 174.02 3hs6 s THR 50 N -1.64 0.54 0.00 2.02 -4.23 -0.04 -4.83 115.64 107.47 3hs6 s THR 50 Ca 0.63 -2.28 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 3hs6 s THR 50 Cb -0.25 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.20 3hs6 s THR 50 CO 0.31 -1.06 0.00 0.61 -0.54 0.00 0.00 174.62 173.94 3hs6 n GLY 51 N 3.47 -0.52 0.16 3.99 0.00 -1.26 -4.16 105.19 106.87 3hs6 n GLY 51 Ca 0.18 -1.76 0.01 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 -0.09 1.61 0.04 -1.97 -3.31 116.94 113.21 3hs6 h PHE 52 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3hs6 h PHE 52 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3hs6 h PHE 52 CO 0.00 0.53 0.00 -0.25 -0.60 0.00 0.00 178.31 177.99 3hs6 n ASP 53 N -3.80 2.04 -4.13 2.17 8.00 -1.26 -4.52 116.55 115.05 3hs6 n ASP 53 Ca -0.01 -1.76 -0.13 0.00 0.71 0.00 0.00 54.79 53.60 3hs6 n ASP 53 Cb 0.56 -0.06 -0.11 0.00 -0.02 0.00 0.00 41.12 41.49 3hs6 n ASP 53 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3hs6 s GLN 54 N -0.81 0.73 0.15 -1.24 -0.21 -1.25 -4.95 119.66 112.08 3hs6 s GLN 54 Ca 0.07 -1.04 0.02 0.00 0.02 0.00 0.00 55.36 54.44 3hs6 s GLN 54 Cb 0.04 -0.40 -0.04 0.00 1.00 0.00 0.00 33.01 33.61 3hs6 s GLN 54 CO 0.05 0.06 -0.04 1.52 -2.12 0.00 0.00 175.29 174.76 3hs6 s TYR 55 N -2.24 1.15 -0.00 0.91 -0.85 -1.26 -0.86 117.35 114.20 3hs6 s TYR 55 Ca 0.01 -0.92 0.03 0.00 -0.52 0.00 0.00 57.07 55.67 3hs6 s TYR 55 Cb -0.04 -0.64 -0.01 0.00 0.38 0.00 0.00 41.96 41.65 3hs6 s TYR 55 CO -0.01 -0.11 -0.11 0.21 -1.52 0.00 0.00 175.55 174.01 3hs6 s LYS 56 N -3.85 0.87 -0.08 -3.49 2.20 0.52 -4.82 119.74 111.09 3hs6 s LYS 56 Ca 0.19 -0.45 -0.13 0.00 -0.36 0.00 0.00 55.97 55.23 3hs6 s LYS 56 Cb 0.05 -0.84 -0.05 0.00 -1.51 0.00 0.00 37.83 35.48 3hs6 s LYS 56 CO 0.01 0.23 0.31 0.00 -0.36 0.00 0.00 175.35 175.53 3hs6 s ASP 58 N -0.53 5.76 -0.08 0.00 -1.08 0.38 -4.92 116.67 116.20 3hs6 s ASP 58 Ca 0.19 -1.15 0.18 0.00 -0.52 0.00 0.00 52.55 51.25 3hs6 s ASP 58 Cb -0.14 -2.03 0.66 0.00 -1.46 0.00 0.00 42.92 39.94 3hs6 s ASP 58 CO 0.08 -0.45 1.56 0.00 0.52 0.00 0.00 175.17 176.87 3hs6 n THR 60 N 1.15 0.19 -1.09 0.00 -1.04 -1.26 -1.64 114.28 110.59 3hs6 n THR 60 Ca 0.24 -0.03 -0.03 0.00 -2.04 0.00 0.00 64.05 62.18 3hs6 n THR 60 Cb 0.78 -0.96 -0.01 0.00 -1.82 0.00 0.00 70.33 68.31 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 4.57 -1.76 0.18 -2.82 1.74 -1.26 -4.83 116.66 112.47 3hs6 n ARG 61 Ca 0.26 0.57 0.06 0.00 -0.77 0.00 0.00 57.85 57.97 3hs6 n ARG 61 Cb 0.09 -4.94 0.24 0.00 -1.02 0.00 0.00 32.46 26.83 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 0.75 0.00 0.55 1.35 -1.62 -3.47 112.91 110.47 3hs6 h THR 62 Ca -0.06 -1.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 3hs6 h THR 62 Cb 0.97 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 3hs6 h THR 62 CO 0.09 0.37 0.00 0.61 -0.25 0.00 0.00 175.52 176.34 3hs6 n GLY 63 N 0.64 0.75 3.32 5.82 0.00 -1.26 -5.00 105.19 109.47 3hs6 n GLY 63 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.58 1.57 0.00 1.61 0.08 -1.26 -1.57 117.98 115.83 3hs6 s PHE 64 Ca 0.00 -0.76 0.00 0.00 0.12 0.00 0.00 56.93 56.29 3hs6 s PHE 64 Cb 0.00 -0.83 0.00 0.00 -0.57 0.00 0.00 43.02 41.62 3hs6 s PHE 64 CO 0.00 0.14 0.00 2.48 -0.10 0.00 0.00 175.22 177.74 3hs6 n TYR 65 N -0.37 -0.10 0.00 0.36 0.18 -0.02 -4.82 117.16 112.38 3hs6 n TYR 65 Ca -0.07 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.71 3hs6 n TYR 65 Cb 0.62 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.58 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 0.00 0.06 0.38 -7.48 0.00 -1.26 -1.51 105.19 95.38 3hs6 n GLY 66 Ca 0.00 -1.78 0.16 0.00 0.00 0.00 0.00 46.02 44.40 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 0.60 -0.33 1.61 4.81 -2.01 -2.23 114.58 117.03 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 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.24 3hs6 h GLU 67 CO 0.00 0.40 0.00 0.09 -0.73 0.00 0.00 179.01 178.77 3hs6 n ASN 68 N -4.65 2.99 -3.45 1.04 3.02 -1.26 -4.15 115.26 108.81 3hs6 n ASN 68 Ca 0.22 -2.09 -0.21 0.00 -0.03 0.00 0.00 54.58 52.47 3hs6 n ASN 68 Cb 0.62 -0.25 0.08 0.00 -0.61 0.00 0.00 39.78 39.62 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 -4.58 0.00 -3.18 0.00 -2.24 -1.00 -4.51 114.28 98.77 3hs6 n THR 70 Ca -0.11 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 3hs6 n THR 70 Cb 0.60 0.76 -0.07 0.00 -2.10 0.00 0.00 70.33 69.52 3hs6 n THR 70 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hs6 s THR 71 N -2.44 4.95 0.22 4.28 2.01 -0.57 -4.94 115.64 119.16 3hs6 s THR 71 Ca 0.02 0.40 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 3hs6 s THR 71 Cb 0.09 -4.03 -0.08 0.00 0.01 0.00 0.00 72.50 68.49 3hs6 s THR 71 CO 0.54 -0.29 1.17 -2.16 -0.69 0.00 0.00 174.62 173.19 3hs6 s PRO 72 N 2.54 4.53 1.00 4.92 0.04 -1.26 -0.84 135.00 145.93 3hs6 s PRO 72 Ca 0.21 1.86 -0.11 0.00 0.04 0.00 0.00 61.00 63.00 3hs6 s PRO 72 Cb -0.15 -3.22 0.19 0.00 0.04 0.00 0.00 34.50 31.36 3hs6 s PRO 72 CO 0.14 -0.00 1.10 -1.21 0.04 0.00 0.00 177.00 177.07 3hs6 s GLU 73 N -0.64 0.34 0.09 4.56 2.02 -0.61 -4.78 118.70 119.68 3hs6 s GLU 73 Ca 0.50 1.27 -0.25 0.00 0.02 0.00 0.00 54.97 56.52 3hs6 s GLU 73 Cb -0.33 -1.67 -0.14 0.00 0.10 0.00 0.00 34.13 32.10 3hs6 s GLU 73 CO 0.39 -3.00 1.71 0.35 0.02 0.00 0.00 175.26 174.72 3hs6 h PHE 74 N -2.13 -0.20 -0.61 1.61 3.57 -1.96 -2.08 116.94 115.14 3hs6 h PHE 74 Ca -0.50 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.10 3hs6 h PHE 74 Cb 1.29 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 40.07 3hs6 h PHE 74 CO 0.42 -0.12 0.41 -0.07 -2.23 0.00 0.00 178.31 176.72 3hs6 h LEU 75 N -0.18 0.37 -0.18 0.59 3.38 -1.95 -2.03 115.31 115.31 3hs6 h LEU 75 Ca -0.00 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3hs6 h LEU 75 Cb 0.17 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3hs6 h LEU 75 CO -0.01 0.22 -0.07 0.74 0.09 0.00 0.00 178.44 179.42 3hs6 h THR 76 N 0.42 1.30 -0.99 0.22 2.02 -1.74 -2.37 112.91 111.77 3hs6 h THR 76 Ca 0.28 -1.10 0.12 0.00 0.77 0.00 0.00 66.41 66.48 3hs6 h THR 76 Cb 0.56 1.66 -0.08 0.00 -1.74 0.00 0.00 68.15 68.54 3hs6 h THR 76 CO -0.08 0.33 0.63 -0.09 0.37 0.00 0.00 175.52 176.68 3hs6 h ARG 77 N 0.06 0.95 0.12 6.66 2.43 -0.70 -0.12 114.38 123.78 3hs6 h ARG 77 Ca 0.04 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3hs6 h ARG 77 Cb 0.54 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3hs6 h ARG 77 CO 0.02 0.63 -0.06 0.82 -1.51 0.00 0.00 179.97 179.88 3hs6 h ILE 78 N 0.98 1.07 -0.70 1.20 1.08 -1.43 -2.85 117.51 116.87 3hs6 h ILE 78 Ca 0.49 -0.80 0.11 0.00 -0.39 0.00 0.00 64.86 64.27 3hs6 h ILE 78 Cb 0.48 1.57 -0.08 0.00 -3.07 0.00 0.00 36.82 35.72 3hs6 h ILE 78 CO -0.25 0.19 0.29 0.11 -0.69 0.00 0.00 178.15 177.80 3hs6 h LYS 79 N -0.54 0.46 -0.55 2.37 1.57 -0.90 -2.08 116.57 116.90 3hs6 h LYS 79 Ca -0.02 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 3hs6 h LYS 79 Cb 0.43 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 3hs6 h LYS 79 CO 0.03 0.30 0.15 -0.07 -0.57 0.00 0.00 179.45 179.29 3hs6 h LEU 80 N 0.47 0.78 -0.50 2.94 3.38 -1.04 -0.64 115.31 120.70 3hs6 h LEU 80 Ca 0.36 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 58.03 3hs6 h LEU 80 Cb 0.48 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3hs6 h LEU 80 CO -0.34 0.75 -0.65 -0.07 0.09 0.00 0.00 178.44 178.23 3hs6 h LEU 81 N 0.81 0.47 0.00 1.67 3.38 -1.19 -3.31 115.31 117.15 3hs6 h LEU 81 Ca 0.18 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 3hs6 h LEU 81 Cb 0.27 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3hs6 h LEU 81 CO -0.00 0.99 -0.96 -0.07 0.09 0.00 0.00 178.44 178.49 3hs6 h LEU 82 N 0.30 0.00 -9.29 1.67 4.07 -1.15 -3.46 115.31 107.45 3hs6 h LEU 82 Ca -0.01 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.40 3hs6 h LEU 82 Cb 1.19 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.92 3hs6 h LEU 82 CO 0.11 0.51 0.93 -0.75 -1.08 0.00 0.00 178.44 178.17 3hs6 s LYS 83 N -2.96 4.24 0.47 1.13 2.47 -0.27 -5.01 119.74 119.81 3hs6 s LYS 83 Ca 0.00 1.98 -0.21 0.00 -1.56 0.00 0.00 55.97 56.18 3hs6 s LYS 83 Cb 0.08 -3.75 -0.08 0.00 -1.46 0.00 0.00 37.83 32.63 3hs6 s LYS 83 CO 0.78 -0.69 1.07 -1.25 0.16 0.00 0.00 175.35 175.41 3hs6 s PRO 84 N 3.16 3.80 0.68 4.03 0.04 -1.26 -4.98 135.00 140.47 3hs6 s PRO 84 Ca 0.65 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 63.04 3hs6 s PRO 84 Cb -0.30 -2.20 0.01 0.00 0.04 0.00 0.00 34.50 32.04 3hs6 s PRO 84 CO 0.25 -0.45 1.07 0.95 0.04 0.00 0.00 177.00 178.86 3hs6 s THR 85 N -1.84 3.79 0.34 1.26 -4.23 -1.26 -4.87 115.64 108.84 3hs6 s THR 85 Ca 0.66 0.66 0.05 0.00 -1.18 0.00 0.00 61.69 61.88 3hs6 s THR 85 Cb -0.20 -3.29 0.30 0.00 1.34 0.00 0.00 72.50 70.66 3hs6 s THR 85 CO 0.24 -0.69 1.89 -0.65 -0.54 0.00 0.00 174.62 174.88 3hs6 h PRO 86 N -0.46 0.80 0.00 3.99 0.11 -1.96 -1.81 132.00 132.66 3hs6 h PRO 86 Ca -0.45 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 3hs6 h PRO 86 Cb 1.22 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3hs6 h PRO 86 CO 0.56 0.53 -0.33 -0.91 -0.21 0.00 0.00 178.00 177.64 3hs6 h ASN 87 N 0.82 0.00 -0.05 -2.05 2.35 -1.99 -0.42 115.58 114.24 3hs6 h ASN 87 Ca 0.41 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.10 3hs6 h ASN 87 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3hs6 h ASN 87 CO -0.18 0.33 -0.23 0.74 -1.65 0.00 0.00 177.43 176.44 3hs6 h THR 88 N 0.00 1.46 -0.64 2.81 2.02 -1.72 -2.61 112.91 114.22 3hs6 h THR 88 Ca -0.00 -1.68 -0.01 0.00 0.77 0.00 0.00 66.41 65.49 3hs6 h THR 88 Cb 0.61 2.41 -0.03 0.00 -1.74 0.00 0.00 68.15 69.40 3hs6 h THR 88 CO 0.04 0.47 0.38 0.58 0.37 0.00 0.00 175.52 177.36 3hs6 h VAL 89 N -0.30 1.19 -0.59 3.16 2.07 -1.26 -1.86 116.25 118.66 3hs6 h VAL 89 Ca -0.01 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.08 3hs6 h VAL 89 Cb 0.89 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 3hs6 h VAL 89 CO 0.05 0.20 0.37 -0.74 0.02 0.00 0.00 177.57 177.47 3hs6 h HIS 90 N 0.87 0.70 -0.13 1.57 6.17 -1.15 -0.56 115.15 122.61 3hs6 h HIS 90 Ca 0.23 0.02 0.04 0.00 0.71 0.00 0.00 60.37 61.37 3hs6 h HIS 90 Cb -0.00 -0.23 -0.04 0.00 2.52 0.00 0.00 27.41 29.65 3hs6 h HIS 90 CO -0.01 0.42 -0.12 -0.92 0.71 0.00 0.00 177.93 178.00 3hs6 h TYR 91 N 0.75 -0.31 -0.47 5.26 3.20 -1.14 -1.10 116.97 123.16 3hs6 h TYR 91 Ca 0.23 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.12 3hs6 h TYR 91 Cb -0.03 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3hs6 h TYR 91 CO -0.05 -0.18 0.30 0.82 -1.64 0.00 0.00 178.16 177.41 3hs6 h ILE 92 N -0.14 1.13 0.00 1.81 2.04 -1.00 -1.57 117.51 119.78 3hs6 h ILE 92 Ca 0.09 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3hs6 h ILE 92 Cb 0.28 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3hs6 h ILE 92 CO -0.22 0.12 0.00 -0.07 0.00 0.00 0.00 178.15 177.98 3hs6 h LEU 93 N 0.64 0.00 -3.07 1.44 3.38 -0.66 -3.25 115.31 113.78 3hs6 h LEU 93 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3hs6 h LEU 93 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3hs6 h LEU 93 CO -0.04 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.84 3hs6 n THR 94 N -2.80 1.68 -4.12 0.22 -2.24 -0.46 -1.29 114.28 105.27 3hs6 n THR 94 Ca 0.04 -1.57 -0.08 0.00 -2.27 0.00 0.00 64.05 60.17 3hs6 n THR 94 Cb 0.47 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 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 -0.34 -0.29 -3.80 4.78 8.25 -0.66 -4.91 115.22 118.24 3hs6 n HIS 95 Ca 0.15 -1.14 -0.23 0.00 -0.26 0.00 0.00 57.72 56.23 3hs6 n HIS 95 Cb 0.64 0.11 0.01 0.00 1.12 0.00 0.00 29.99 31.87 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 -0.27 -1.86 -0.23 4.41 3.72 -1.26 -4.85 117.46 117.12 3hs6 n PHE 96 Ca 0.03 0.82 0.11 0.00 -0.05 0.00 0.00 57.45 58.36 3hs6 n PHE 96 Cb 0.25 -4.14 0.39 0.00 -0.94 0.00 0.00 39.48 35.04 3hs6 n PHE 96 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3hs6 h LYS 97 N -1.87 0.64 -0.83 -1.08 3.64 -1.93 -0.02 116.57 115.12 3hs6 h LYS 97 Ca -0.61 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 58.83 3hs6 h LYS 97 Cb 1.37 -0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.96 3hs6 h LYS 97 CO 0.59 0.43 0.47 0.78 -2.27 0.00 0.00 179.45 179.45 3hs6 h GLY 98 N 0.66 1.30 0.84 5.01 0.00 -2.00 0.12 103.07 109.00 3hs6 h GLY 98 Ca 0.41 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 3hs6 h GLY 98 CO -0.17 0.11 0.04 -2.08 0.00 0.00 0.00 176.54 174.44 3hs6 h VAL 99 N 0.77 1.20 -0.04 4.60 2.07 -1.37 -3.08 116.25 120.40 3hs6 h VAL 99 Ca 0.41 -0.65 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 3hs6 h VAL 99 Cb 0.40 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3hs6 h VAL 99 CO -0.26 0.20 -0.43 -0.50 0.02 0.00 0.00 177.57 176.59 3hs6 h TRP 100 N 0.07 0.11 -0.42 1.57 4.06 -1.11 -1.40 115.95 118.84 3hs6 h TRP 100 Ca 0.05 -0.03 0.06 0.00 2.06 0.00 0.00 58.89 61.04 3hs6 h TRP 100 Cb 0.27 -0.03 -0.06 0.00 -1.00 0.00 0.00 29.16 28.35 3hs6 h TRP 100 CO 0.01 0.52 0.10 -0.91 -3.56 0.00 0.00 178.44 174.60 3hs6 h ASN 101 N 0.08 0.04 0.09 -3.49 2.35 -0.76 0.11 115.58 114.01 3hs6 h ASN 101 Ca 0.00 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3hs6 h ASN 101 Cb 0.80 0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.26 3hs6 h ASN 101 CO 0.06 0.06 -0.05 0.40 -1.65 0.00 0.00 177.43 176.25 3hs6 h ILE 102 N 0.24 1.03 -0.31 2.81 5.03 -1.34 -3.18 117.51 121.78 3hs6 h ILE 102 Ca 0.20 -0.45 0.06 0.00 -0.12 0.00 0.00 64.86 64.55 3hs6 h ILE 102 Cb 0.24 1.32 -0.05 0.00 -3.03 0.00 0.00 36.82 35.29 3hs6 h ILE 102 CO -0.25 0.11 -0.02 0.58 -0.68 0.00 0.00 178.15 177.89 3hs6 h VAL 103 N -0.33 0.75 0.00 1.67 2.07 -1.07 -1.97 116.25 117.36 3hs6 h VAL 103 Ca -0.01 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3hs6 h VAL 103 Cb 0.28 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3hs6 h VAL 103 CO 0.02 0.01 0.00 0.78 0.02 0.00 0.00 177.57 178.40 3hs6 h ASN 104 N 0.07 0.00 -0.00 0.57 2.35 -0.83 -2.66 115.58 115.08 3hs6 h ASN 104 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3hs6 h ASN 104 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3hs6 h ASN 104 CO -0.27 0.00 -0.61 0.59 -1.65 0.00 0.00 177.43 175.49 3hs6 n ASN 105 N -2.91 0.62 -4.35 5.81 5.03 -0.80 -4.74 115.26 113.93 3hs6 n ASN 105 Ca -0.02 -0.81 -0.45 0.00 0.87 0.00 0.00 54.58 54.16 3hs6 n ASN 105 Cb 0.08 0.99 -0.04 0.00 -1.02 0.00 0.00 39.78 39.79 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 -2.22 5.06 0.27 2.41 -1.09 -0.86 -4.98 121.20 119.81 3hs6 s ILE 105 Ca 0.05 -1.41 0.01 0.00 -2.23 0.00 0.00 60.65 57.07 3hs6 s ILE 105 Cb 0.10 -4.45 0.26 0.00 -1.58 0.00 0.00 42.46 36.79 3hs6 s ILE 105 CO 0.53 -1.04 1.77 -0.65 -1.23 0.00 0.00 174.94 174.32 3hs6 h PRO 106 N 8.87 0.67 -0.93 2.79 0.11 -1.85 0.18 132.00 141.84 3hs6 h PRO 106 Ca -0.22 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.93 3hs6 h PRO 106 Cb 1.08 -0.15 -0.07 0.00 0.11 0.00 0.00 31.00 31.97 3hs6 h PRO 106 CO 1.03 0.44 0.59 0.35 -0.21 0.00 0.00 178.00 180.20 3hs6 h PHE 107 N 0.69 1.08 -0.11 0.65 3.57 -1.93 -1.59 116.94 119.30 3hs6 h PHE 107 Ca 0.49 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.93 3hs6 h PHE 107 Cb 0.69 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.08 3hs6 h PHE 107 CO -0.07 0.53 -0.27 -0.07 -2.23 0.00 0.00 178.31 176.20 3hs6 h LEU 108 N 1.04 0.42 -0.64 0.59 3.38 -1.29 -2.52 115.31 116.29 3hs6 h LEU 108 Ca 0.42 -0.59 0.07 0.00 0.09 0.00 0.00 57.88 57.87 3hs6 h LEU 108 Cb 0.23 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 3hs6 h LEU 108 CO -0.19 0.93 0.32 -0.09 0.09 0.00 0.00 178.44 179.50 3hs6 h ARG 109 N -0.07 0.56 -0.84 1.13 2.43 -1.02 -0.49 114.38 116.09 3hs6 h ARG 109 Ca -0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3hs6 h ARG 109 Cb 0.88 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.27 3hs6 h ARG 109 CO 0.06 0.37 0.49 0.77 -1.51 0.00 0.00 179.97 180.15 3hs6 h SER 110 N 0.58 1.02 -0.41 -3.80 0.02 -1.35 -1.40 113.55 108.21 3hs6 h SER 110 Ca 0.30 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 61.10 3hs6 h SER 110 Cb 0.26 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3hs6 h SER 110 CO -0.22 0.80 -0.01 0.25 -1.14 0.00 0.00 176.83 176.51 3hs6 h LEU 111 N 1.16 0.73 -0.38 5.07 6.46 -0.73 -0.63 115.31 126.98 3hs6 h LEU 111 Ca 0.30 -0.31 -0.14 0.00 -0.12 0.00 0.00 57.88 57.61 3hs6 h LEU 111 Cb -0.02 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 3hs6 h LEU 111 CO -0.05 0.86 -0.29 0.40 -0.62 0.00 0.00 178.44 178.74 3hs6 h ILE 112 N 0.57 1.28 -0.78 4.05 5.03 -1.13 -2.54 117.51 123.99 3hs6 h ILE 112 Ca 0.12 -1.45 0.01 0.00 -0.12 0.00 0.00 64.86 63.41 3hs6 h ILE 112 Cb 0.50 1.37 -0.04 0.00 -3.03 0.00 0.00 36.82 35.62 3hs6 h ILE 112 CO 0.02 0.48 0.52 -0.03 -0.68 0.00 0.00 178.15 178.46 3hs6 h MET 113 N 0.67 1.01 -0.61 2.37 4.05 -1.17 0.06 114.93 121.32 3hs6 h MET 113 Ca 0.07 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 3hs6 h MET 113 Cb 0.87 -0.23 -0.03 0.00 -0.80 0.00 0.00 31.60 31.41 3hs6 h MET 113 CO 0.08 0.67 0.39 -0.22 0.23 0.00 0.00 176.91 178.05 3hs6 h LYS 114 N 1.04 0.81 -0.06 0.39 3.64 -0.98 -0.02 116.57 121.39 3hs6 h LYS 114 Ca 0.29 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3hs6 h LYS 114 Cb -0.09 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.54 3hs6 h LYS 114 CO -0.07 0.55 0.03 -0.92 -2.27 0.00 0.00 179.45 176.78 3hs6 h TYR 115 N 0.82 0.06 -0.85 1.91 3.20 -0.94 -1.61 116.97 119.57 3hs6 h TYR 115 Ca 0.22 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.19 3hs6 h TYR 115 Cb -0.07 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.11 3hs6 h TYR 115 CO -0.03 0.04 0.49 0.28 -1.64 0.00 0.00 178.16 177.30 3hs6 h VAL 116 N 0.07 0.90 -0.12 1.81 2.07 -0.57 -0.66 116.25 119.74 3hs6 h VAL 116 Ca 0.02 -0.27 -0.16 0.00 0.82 0.00 0.00 66.70 67.11 3hs6 h VAL 116 Cb -0.00 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 29.80 3hs6 h VAL 116 CO -0.01 0.15 -0.53 -0.07 0.02 0.00 0.00 177.57 177.12 3hs6 h LEU 117 N 0.80 0.68 0.00 2.57 3.38 -0.91 -3.36 115.31 118.47 3hs6 h LEU 117 Ca 0.41 -0.63 -0.16 0.00 0.09 0.00 0.00 57.88 57.59 3hs6 h LEU 117 Cb 0.40 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3hs6 h LEU 117 CO -0.26 1.19 -0.84 0.71 0.09 0.00 0.00 178.44 179.34 3hs6 h THR 118 N 0.20 1.14 -0.51 0.22 1.35 -1.00 -3.26 112.91 111.05 3hs6 h THR 118 Ca -0.03 -2.66 0.10 0.00 -0.55 0.00 0.00 66.41 63.27 3hs6 h THR 118 Cb 1.17 2.54 -0.03 0.00 -1.73 0.00 0.00 68.15 70.10 3hs6 h THR 118 CO 0.11 0.65 0.35 0.77 -0.25 0.00 0.00 175.52 177.15 3hs6 h SER 119 N 0.00 0.23 -0.59 5.36 4.64 -1.26 -2.47 113.55 119.46 3hs6 h SER 119 Ca -0.04 0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.09 3hs6 h SER 119 Cb 1.58 -0.04 -0.12 0.00 -0.31 0.00 0.00 62.40 63.51 3hs6 h SER 119 CO 0.09 0.14 0.19 0.54 -0.87 0.00 0.00 176.83 176.91 3hs6 n ARG 120 N -4.45 3.04 -0.06 4.77 1.74 -1.23 -4.54 116.66 115.93 3hs6 n ARG 120 Ca 0.08 -3.06 -0.06 0.00 -0.77 0.00 0.00 57.85 54.04 3hs6 n ARG 120 Cb 0.40 -2.06 -0.15 0.00 -1.02 0.00 0.00 32.46 29.63 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 -0.53 0.25 0.00 0.55 7.64 -0.93 -4.15 113.62 116.46 3hs6 n SER 121 Ca 0.37 0.12 0.14 0.00 1.01 0.00 0.00 58.87 60.51 3hs6 n SER 121 Cb 1.25 0.84 0.81 0.00 -1.01 0.00 0.00 64.21 66.09 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 -2.76 0.00 0.27 1.43 4.11 -1.26 -4.12 117.16 114.83 3hs6 n TYR 122 Ca -0.24 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 57.77 3hs6 n TYR 122 Cb 1.03 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 40.23 3hs6 n TYR 122 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 3hs6 n LEU 123 N -0.95 0.30 -4.40 -3.48 4.77 -1.26 -4.87 117.00 107.12 3hs6 n LEU 123 Ca 0.20 -0.11 -0.35 0.00 -0.03 0.00 0.00 56.01 55.72 3hs6 n LEU 123 Cb 0.09 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.05 3hs6 n LEU 123 CO 0.15 0.06 -0.34 -0.63 -1.33 0.00 0.00 177.39 175.30 3hs6 s ILE 124 N -3.37 3.85 -0.00 -0.08 -1.09 -1.26 -5.03 121.20 114.22 3hs6 s ILE 124 Ca -0.03 -0.34 -0.31 0.00 -2.23 0.00 0.00 60.65 57.74 3hs6 s ILE 124 Cb 0.14 -2.76 -0.09 0.00 -1.58 0.00 0.00 42.46 38.17 3hs6 s ILE 124 CO 0.89 0.40 1.97 0.47 -1.23 0.00 0.00 174.94 177.44 3hs6 n ASP 125 N 4.61 3.98 -3.18 3.58 8.00 -1.26 -4.96 116.55 127.32 3hs6 n ASP 125 Ca -0.17 0.88 0.02 0.00 0.71 0.00 0.00 54.79 56.23 3hs6 n ASP 125 Cb 0.51 -1.49 -0.02 0.00 -0.02 0.00 0.00 41.12 40.10 3hs6 n ASP 125 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3hs6 s SER 126 N 4.57 -1.17 0.46 -2.24 0.15 -1.26 -3.68 113.70 110.53 3hs6 s SER 126 Ca 0.90 0.53 -0.22 0.00 0.70 0.00 0.00 55.95 57.86 3hs6 s SER 126 Cb -0.49 1.95 -0.10 0.00 -1.71 0.00 0.00 66.02 65.67 3hs6 s SER 126 CO 0.44 -0.28 0.84 -2.65 1.20 0.00 0.00 173.24 172.79 3hs6 n PRO 127 N 5.41 1.01 -1.03 5.44 -0.02 -1.26 -4.94 135.00 139.61 3hs6 n PRO 127 Ca 0.01 0.37 -0.31 0.00 -2.02 0.00 0.00 63.50 61.55 3hs6 n PRO 127 Cb 0.52 -1.89 0.13 0.00 -0.02 0.00 0.00 33.50 32.24 3hs6 n PRO 127 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hs6 s PRO 128 N -2.01 1.52 0.00 0.52 0.04 -1.24 -5.04 135.00 128.78 3hs6 s PRO 128 Ca 0.65 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.91 3hs6 s PRO 128 Cb -0.54 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.19 3hs6 s PRO 128 CO 0.55 -2.17 0.00 0.25 0.04 0.00 0.00 177.00 175.67 3hs6 n THR 129 N -3.89 0.00 -2.31 1.26 -2.24 -1.26 -4.71 114.28 101.13 3hs6 n THR 129 Ca 0.09 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.59 3hs6 n THR 129 Cb 0.53 -0.28 0.01 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.00 3.54 0.34 4.78 2.02 -1.25 -4.47 117.35 122.31 3hs6 s TYR 130 Ca 0.00 0.97 0.02 0.00 -0.37 0.00 0.00 57.07 57.69 3hs6 s TYR 130 Cb 0.00 -2.53 -0.00 0.00 -0.40 0.00 0.00 41.96 39.02 3hs6 s TYR 130 CO 0.00 -0.52 0.42 0.27 -1.57 0.00 0.00 175.55 174.14 3hs6 n ASN 131 N -2.50 -1.13 -0.00 2.29 0.23 -0.90 -0.22 115.26 113.02 3hs6 n ASN 131 Ca 0.03 -3.00 0.17 0.00 -0.53 0.00 0.00 54.58 51.26 3hs6 n ASN 131 Cb 0.55 2.23 0.64 0.00 -2.08 0.00 0.00 39.78 41.12 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 2.03 0.79 -0.00 3.53 3.04 -1.88 -1.70 116.25 122.06 3hs6 h VAL 132 Ca -0.26 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 3hs6 h VAL 132 Cb 1.19 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 3hs6 h VAL 132 CO 0.36 0.02 -0.85 1.41 -1.01 0.00 0.00 177.57 177.49 3hs6 n HIS 133 N -4.42 0.00 -3.78 3.17 8.25 -1.26 -4.82 115.22 112.36 3hs6 n HIS 133 Ca 0.09 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.27 3hs6 n HIS 133 Cb 0.52 -0.05 -0.16 0.00 1.12 0.00 0.00 29.99 31.41 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 -2.96 1.41 -2.28 4.41 2.02 -0.64 -4.96 117.35 114.35 3hs6 s TYR 134 Ca 0.10 -1.15 0.20 0.00 -0.37 0.00 0.00 57.07 55.85 3hs6 s TYR 134 Cb 0.16 -1.21 0.61 0.00 -0.40 0.00 0.00 41.96 41.12 3hs6 s TYR 134 CO 0.81 -0.67 1.47 0.41 -1.57 0.00 0.00 175.55 176.00 3hs6 n GLY 135 N 4.94 0.72 3.18 0.71 0.00 -1.26 -2.12 105.19 111.36 3hs6 n GLY 135 Ca -0.09 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.67 1.06 0.31 1.61 -0.85 -1.26 -4.87 117.35 111.68 3hs6 s TYR 136 Ca 0.33 -0.70 -0.29 0.00 -0.52 0.00 0.00 57.07 55.89 3hs6 s TYR 136 Cb 0.18 -0.58 -0.10 0.00 0.38 0.00 0.00 41.96 41.84 3hs6 s TYR 136 CO 0.26 -0.01 1.38 0.15 -1.52 0.00 0.00 175.55 175.81 3hs6 s LYS 137 N -3.03 4.28 0.08 -3.49 1.02 -1.26 -4.87 119.74 112.47 3hs6 s LYS 137 Ca 0.07 2.31 -0.19 0.00 0.02 0.00 0.00 55.97 58.18 3hs6 s LYS 137 Cb -0.01 -3.06 0.04 0.00 -0.52 0.00 0.00 37.83 34.28 3hs6 s LYS 137 CO -0.01 -0.32 0.46 -1.54 -0.92 0.00 0.00 175.35 173.03 3hs6 s SER 138 N -0.17 -0.35 0.36 2.83 1.04 -1.26 -5.05 113.70 111.11 3hs6 s SER 138 Ca 0.53 -0.04 0.10 0.00 0.48 0.00 0.00 55.95 57.02 3hs6 s SER 138 Cb -0.42 0.48 0.70 0.00 0.10 0.00 0.00 66.02 66.88 3hs6 s SER 138 CO 0.52 -0.77 1.85 -0.25 0.98 0.00 0.00 173.24 175.57 3hs6 h TRP 139 N 2.63 0.19 -0.01 5.02 2.91 -1.98 -1.91 115.95 122.81 3hs6 h TRP 139 Ca -0.32 -0.03 -0.00 0.00 1.13 0.00 0.00 58.89 59.67 3hs6 h TRP 139 Cb 1.23 -0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 29.83 3hs6 h TRP 139 CO 0.35 0.42 0.00 1.49 -1.03 0.00 0.00 178.44 179.67 3hs6 h GLU 140 N 0.16 0.01 -0.83 2.65 4.57 -1.97 0.16 114.58 119.32 3hs6 h GLU 140 Ca 0.03 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 3hs6 h GLU 140 Cb 0.54 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.09 3hs6 h GLU 140 CO 0.04 0.05 0.39 0.00 -1.18 0.00 0.00 179.01 178.30 3hs6 h ALA 141 N 0.96 1.11 -0.29 2.92 0.00 -1.78 -1.95 119.26 120.23 3hs6 h ALA 141 Ca 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3hs6 h ALA 141 Cb 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3hs6 h ALA 141 CO -0.00 0.66 -0.02 0.35 0.00 0.00 0.00 179.25 180.24 3hs6 h PHE 142 N 1.19 0.58 0.00 0.00 3.57 -1.26 -3.36 116.94 117.67 3hs6 h PHE 142 Ca 0.29 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3hs6 h PHE 142 Cb 0.13 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.72 3hs6 h PHE 142 CO 0.02 0.69 -0.96 -1.13 -2.23 0.00 0.00 178.31 174.70 3hs6 n SER 143 N -4.55 0.70 -4.46 0.41 3.41 0.03 -4.80 113.62 104.37 3hs6 n SER 143 Ca -0.03 0.11 -0.43 0.00 -0.26 0.00 0.00 58.87 58.26 3hs6 n SER 143 Cb 0.28 0.54 -0.07 0.00 -0.26 0.00 0.00 64.21 64.70 3hs6 n SER 143 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hs6 s ASN 144 N -4.62 6.21 0.00 4.04 3.84 -0.75 -4.91 114.94 118.75 3hs6 s ASN 144 Ca 0.02 -0.82 0.28 0.00 0.21 0.00 0.00 52.86 52.55 3hs6 s ASN 144 Cb 0.12 -2.26 1.32 0.00 -0.55 0.00 0.00 41.25 39.89 3hs6 s ASN 144 CO 0.78 -0.74 1.94 0.18 -2.79 0.00 0.00 177.10 176.47 3hs6 n LEU 145 N 5.86 0.00 0.23 3.21 4.77 -1.26 -3.34 117.00 126.47 3hs6 n LEU 145 Ca -0.07 0.38 0.10 0.00 -0.03 0.00 0.00 56.01 56.39 3hs6 n LEU 145 Cb 0.46 -0.38 0.51 0.00 -2.33 0.00 0.00 43.42 41.68 3hs6 n LEU 145 CO 0.50 -0.02 0.83 0.28 -1.33 0.00 0.00 177.39 177.65 3hs6 h SER 146 N 0.00 0.00 -3.76 -1.43 0.02 -1.91 -3.44 113.55 103.02 3hs6 h SER 146 Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 3hs6 h SER 146 Cb 0.36 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3hs6 h SER 146 CO 0.00 0.22 0.25 -0.31 -1.14 0.00 0.00 176.83 175.84 3hs6 s TYR 147 N -3.76 3.65 0.39 3.45 2.02 -1.21 0.79 117.35 122.68 3hs6 s TYR 147 Ca -0.00 1.61 -0.26 0.00 -0.37 0.00 0.00 57.07 58.05 3hs6 s TYR 147 Cb 0.11 -2.79 -0.09 0.00 -0.40 0.00 0.00 41.96 38.79 3hs6 s TYR 147 CO 0.63 0.24 1.21 0.71 -1.57 0.00 0.00 175.55 176.77 3hs6 s TYR 148 N -1.61 3.02 0.90 2.71 2.02 -0.56 -4.71 117.35 119.12 3hs6 s TYR 148 Ca 0.48 1.51 -0.14 0.00 -0.37 0.00 0.00 57.07 58.55 3hs6 s TYR 148 Cb -0.17 -3.48 0.15 0.00 -0.40 0.00 0.00 41.96 38.06 3hs6 s TYR 148 CO 0.22 -1.52 1.26 -0.08 -1.57 0.00 0.00 175.55 173.86 3hs6 s THR 149 N -1.34 2.01 -0.06 -0.71 -1.32 0.07 -4.46 115.64 109.83 3hs6 s THR 149 Ca 0.56 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 61.03 3hs6 s THR 149 Cb -0.33 -2.99 0.02 0.00 -1.51 0.00 0.00 72.50 67.69 3hs6 s THR 149 CO 0.42 0.00 -0.05 -0.13 -2.21 0.00 0.00 174.62 172.66 3hs6 s ARG 150 N -5.75 0.95 0.39 7.08 1.81 0.69 -0.26 118.95 123.86 3hs6 s ARG 150 Ca 0.69 -0.11 0.19 0.00 -1.72 0.00 0.00 55.73 54.79 3hs6 s ARG 150 Cb -0.07 -1.02 0.76 0.00 -0.45 0.00 0.00 34.95 34.18 3hs6 s ARG 150 CO 0.51 -0.14 1.77 0.00 -0.68 0.00 0.00 175.30 176.77 3hs6 h ALA 151 N 7.53 1.05 -4.06 2.13 0.00 -1.97 -3.34 119.26 120.61 3hs6 h ALA 151 Ca -0.32 -0.31 -0.46 0.00 0.00 0.00 0.00 54.91 53.81 3hs6 h ALA 151 Cb 1.15 -0.06 -0.28 0.00 0.00 0.00 0.00 17.79 18.60 3hs6 h ALA 151 CO 0.42 0.43 -0.80 -0.51 0.00 0.00 0.00 179.25 178.78 3hs6 s LEU 152 N -7.16 2.07 0.70 0.00 1.43 -1.26 -5.03 118.68 109.44 3hs6 s LEU 152 Ca -0.00 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 52.63 3hs6 s LEU 152 Cb 0.11 -0.67 0.02 0.00 0.03 0.00 0.00 46.19 45.69 3hs6 s LEU 152 CO 0.68 0.13 1.21 -2.16 0.23 0.00 0.00 176.35 176.44 3hs6 s PRO 153 N -0.56 2.30 0.73 1.29 0.04 -1.26 -4.92 135.00 132.62 3hs6 s PRO 153 Ca 0.04 1.78 -0.14 0.00 0.04 0.00 0.00 61.00 62.72 3hs6 s PRO 153 Cb -0.06 -1.85 0.04 0.00 0.04 0.00 0.00 34.50 32.67 3hs6 s PRO 153 CO 0.00 -1.72 1.18 -2.14 0.04 0.00 0.00 177.00 174.36 3hs6 s PRO 154 N -3.80 2.20 0.25 0.56 0.02 -1.26 -4.64 135.00 128.33 3hs6 s PRO 154 Ca 0.75 1.64 -0.30 0.00 0.02 0.00 0.00 61.00 63.11 3hs6 s PRO 154 Cb -0.30 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.26 3hs6 s PRO 154 CO 0.43 -1.76 1.55 0.08 -0.33 0.00 0.00 177.00 176.97 3hs6 s VAL 155 N -2.14 2.34 0.69 3.83 1.01 -0.15 -4.89 120.40 121.09 3hs6 s VAL 155 Ca 0.72 0.28 -0.17 0.00 0.00 0.00 0.00 61.98 62.81 3hs6 s VAL 155 Cb -0.26 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 32.95 3hs6 s VAL 155 CO 0.46 0.04 1.25 0.00 0.00 0.00 0.00 175.10 176.84 3hs6 n ALA 156 N 2.67 0.78 0.05 5.51 0.00 -1.26 -4.90 120.51 123.35 3hs6 n ALA 156 Ca 0.09 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3hs6 n ALA 156 Cb 0.38 -2.29 0.57 0.00 0.00 0.00 0.00 19.45 18.11 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 0.15 0.19 -0.24 0.00 3.32 -2.01 -3.10 116.42 114.73 3hs6 h ASP 157 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3hs6 h ASP 157 Cb 1.33 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3hs6 h ASP 157 CO 0.51 0.13 0.00 -0.90 -1.72 0.00 0.00 179.24 177.25 3hs6 n ASP 158 N -4.47 2.86 -4.56 6.45 5.75 -1.26 -5.00 116.55 116.32 3hs6 n ASP 158 Ca 0.05 -1.84 -0.46 0.00 -0.01 0.00 0.00 54.79 52.53 3hs6 n ASP 158 Cb 0.30 -0.15 -0.03 0.00 -1.03 0.00 0.00 41.12 40.21 3hs6 n ASP 158 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hs6 n PRO 160 N 1.11 0.33 -3.87 0.00 -0.04 -1.20 -4.71 135.00 126.61 3hs6 n PRO 160 Ca 0.12 0.09 -0.11 0.00 -0.04 0.00 0.00 63.50 63.56 3hs6 n PRO 160 Cb 0.29 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.15 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 -2.38 0.08 0.36 0.52 2.01 -1.02 -4.82 115.64 110.38 3hs6 s THR 161 Ca 0.19 -0.64 0.10 0.00 0.31 0.00 0.00 61.69 61.64 3hs6 s THR 161 Cb 0.11 -0.42 0.33 0.00 0.01 0.00 0.00 72.50 72.53 3hs6 s THR 161 CO 0.23 -0.35 1.85 -0.65 -0.69 0.00 0.00 174.62 175.01 3hs6 h PRO 162 N 4.39 0.64 -0.06 4.92 0.11 -1.78 -1.18 132.00 139.04 3hs6 h PRO 162 Ca -0.30 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3hs6 h PRO 162 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3hs6 h PRO 162 CO 0.41 0.42 0.00 -1.33 -0.21 0.00 0.00 178.00 177.29 3hs6 n MET 163 N -4.58 2.13 0.00 1.05 2.81 -1.26 -4.92 117.12 112.35 3hs6 n MET 163 Ca 0.19 -1.65 0.00 0.00 -1.81 0.00 0.00 57.70 54.43 3hs6 n MET 163 Cb 0.52 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 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 1.30 1.54 0.00 3.03 0.00 -0.45 -4.81 105.19 105.81 3hs6 n GLY 164 Ca 0.16 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3hs6 n GLY 164 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hs6 n VAL 165 N 0.00 0.00 -2.55 1.61 0.31 -1.26 -2.44 118.33 114.01 3hs6 n VAL 165 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 3hs6 n VAL 165 Cb 0.00 -0.14 0.03 0.00 -0.91 0.00 0.00 33.84 32.82 3hs6 n VAL 165 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3hs6 s LYS 166 N -1.14 2.94 0.53 5.55 1.02 -1.26 -4.83 119.74 122.55 3hs6 s LYS 166 Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 55.97 55.84 3hs6 s LYS 166 Cb 0.00 -2.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 3hs6 s LYS 166 CO 0.00 -0.59 0.00 0.41 -0.92 0.00 0.00 175.35 174.25 3hs6 n GLY 167 N -2.45 -2.24 3.90 -3.33 0.00 -1.26 -4.64 105.19 95.17 3hs6 n GLY 167 Ca 0.04 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.08 4.55 0.35 1.61 0.02 -1.26 -4.98 114.94 112.15 3hs6 s ASN 168 Ca 0.00 0.76 0.06 0.00 -1.02 0.00 0.00 52.86 52.66 3hs6 s ASN 168 Cb 0.00 -1.27 0.66 0.00 0.02 0.00 0.00 41.25 40.65 3hs6 s ASN 168 CO 0.00 -1.87 1.88 0.11 0.02 0.00 0.00 177.10 177.24 3hs6 h LYS 169 N -1.01 0.42 -6.61 -0.60 6.56 -1.93 -3.40 116.57 109.99 3hs6 h LYS 169 Ca -0.46 -0.10 -0.70 0.00 -1.06 0.00 0.00 60.65 58.34 3hs6 h LYS 169 Cb 1.33 -0.06 -0.28 0.00 -0.57 0.00 0.00 32.23 32.65 3hs6 h LYS 169 CO 0.66 0.50 -0.87 -1.21 -2.06 0.00 0.00 179.45 176.46 3hs6 s GLU 170 N -4.85 2.07 0.78 3.15 2.02 -1.26 -4.41 118.70 116.20 3hs6 s GLU 170 Ca -0.07 -0.95 -0.12 0.00 0.02 0.00 0.00 54.97 53.85 3hs6 s GLU 170 Cb 0.15 -2.07 0.06 0.00 0.10 0.00 0.00 34.13 32.37 3hs6 s GLU 170 CO 0.75 0.55 1.11 -0.51 0.02 0.00 0.00 175.26 177.19 3hs6 s LEU 171 N -0.84 3.08 0.64 1.80 1.43 -1.26 -5.01 118.68 118.52 3hs6 s LEU 171 Ca 0.11 1.97 -0.18 0.00 -1.03 0.00 0.00 54.13 54.99 3hs6 s LEU 171 Cb -0.10 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.56 3hs6 s LEU 171 CO 0.00 -2.19 1.26 -0.81 0.23 0.00 0.00 176.35 174.85 3hs6 n PRO 172 N -3.40 1.11 -1.64 1.29 -0.04 -1.26 -4.92 135.00 126.15 3hs6 n PRO 172 Ca 0.10 0.43 -0.48 0.00 -0.04 0.00 0.00 63.50 63.51 3hs6 n PRO 172 Cb 0.52 -2.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.44 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 -1.77 2.50 0.12 3.54 -0.08 -1.26 -4.88 116.55 114.72 3hs6 n ASP 173 Ca 0.16 1.10 -0.00 0.00 -1.51 0.00 0.00 54.79 54.53 3hs6 n ASP 173 Cb 0.48 -1.33 0.28 0.00 2.34 0.00 0.00 41.12 42.89 3hs6 n ASP 173 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3hs6 h SER 174 N 5.33 0.20 -0.90 1.67 4.64 -1.97 -2.15 113.55 120.37 3hs6 h SER 174 Ca -0.46 -0.07 0.01 0.00 -0.47 0.00 0.00 61.79 60.80 3hs6 h SER 174 Cb 1.29 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.28 3hs6 h SER 174 CO 0.84 0.54 0.59 0.50 -0.87 0.00 0.00 176.83 178.43 3hs6 h LYS 175 N 0.17 1.17 -0.31 4.77 3.64 -1.94 -0.49 116.57 123.58 3hs6 h LYS 175 Ca 0.02 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 3hs6 h LYS 175 Cb 0.70 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3hs6 h LYS 175 CO 0.05 0.78 -0.23 1.49 -2.27 0.00 0.00 179.45 179.27 3hs6 h GLU 176 N 1.21 0.70 0.02 1.90 4.81 -1.78 -0.43 114.58 121.01 3hs6 h GLU 176 Ca 0.33 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3hs6 h GLU 176 Cb -0.13 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.25 3hs6 h GLU 176 CO -0.07 0.95 -0.01 0.28 -0.73 0.00 0.00 179.01 179.42 3hs6 h VAL 177 N 0.45 0.99 -0.10 0.32 2.07 -1.21 -1.65 116.25 117.12 3hs6 h VAL 177 Ca 0.06 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.60 3hs6 h VAL 177 Cb 0.78 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 3hs6 h VAL 177 CO 0.06 0.00 -0.18 0.25 0.02 0.00 0.00 177.57 177.73 3hs6 h LEU 178 N -0.03 -0.54 -0.52 2.57 5.85 -1.00 -2.47 115.31 119.17 3hs6 h LEU 178 Ca -0.00 0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 3hs6 h LEU 178 Cb 0.03 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3hs6 h LEU 178 CO 0.00 -0.23 -0.15 -0.33 -0.34 0.00 0.00 178.44 177.39 3hs6 h GLU 179 N -0.24 1.02 -0.03 1.25 5.08 -1.04 -0.24 114.58 120.37 3hs6 h GLU 179 Ca 0.09 -0.40 -0.23 0.00 -1.00 0.00 0.00 59.36 57.82 3hs6 h GLU 179 Cb 0.36 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.57 3hs6 h GLU 179 CO -0.24 1.09 -0.91 0.87 -1.00 0.00 0.00 179.01 178.82 3hs6 h LYS 180 N 0.88 0.52 0.00 2.33 1.57 -1.20 -3.40 116.57 117.27 3hs6 h LYS 180 Ca 0.13 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3hs6 h LYS 180 Cb 0.73 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3hs6 h LYS 180 CO 0.06 1.15 0.00 1.33 -0.57 0.00 0.00 179.45 181.42 3hs6 n VAL 181 N -3.81 0.00 -0.08 0.50 0.24 -0.94 -4.91 118.33 109.34 3hs6 n VAL 181 Ca -0.07 -0.26 -0.14 0.00 -2.04 0.00 0.00 64.34 61.83 3hs6 n VAL 181 Cb 0.81 1.11 -0.06 0.00 -1.47 0.00 0.00 33.84 34.23 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 -0.41 1.92 -4.77 1.34 4.77 -0.52 -0.58 117.00 118.76 3hs6 n LEU 182 Ca 0.00 0.07 -0.40 0.00 -0.03 0.00 0.00 56.01 55.65 3hs6 n LEU 182 Cb 0.03 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.63 3hs6 n LEU 182 CO 0.00 0.51 1.00 -0.76 -1.33 0.00 0.00 177.39 176.81 3hs6 s LEU 183 N -6.40 4.37 0.14 2.23 1.43 -0.22 -1.01 118.68 119.22 3hs6 s LEU 183 Ca -0.21 2.74 -0.31 0.00 -1.03 0.00 0.00 54.13 55.33 3hs6 s LEU 183 Cb 0.07 -3.70 -0.08 0.00 0.03 0.00 0.00 46.19 42.51 3hs6 s LEU 183 CO 0.30 -0.64 1.36 -0.60 0.23 0.00 0.00 176.35 177.00 3hs6 s ARG 184 N -1.92 4.34 0.00 1.70 3.52 0.06 -4.10 118.95 122.56 3hs6 s ARG 184 Ca 0.51 2.06 0.00 0.00 -0.13 0.00 0.00 55.73 58.17 3hs6 s ARG 184 Cb -0.40 -3.23 0.00 0.00 -1.56 0.00 0.00 34.95 29.75 3hs6 s ARG 184 CO 0.54 -0.38 0.00 0.54 -0.81 0.00 0.00 175.30 175.19 3hs6 n ARG 185 N 3.52 0.00 -4.08 5.12 5.12 -1.25 -4.83 116.66 120.26 3hs6 n ARG 185 Ca 0.10 0.11 -0.34 0.00 -1.93 0.00 0.00 57.85 55.78 3hs6 n ARG 185 Cb 0.42 -0.53 -0.07 0.00 -1.16 0.00 0.00 32.46 31.12 3hs6 n ARG 185 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3hs6 s GLU 186 N -0.80 3.18 -0.02 5.56 2.12 -1.26 -5.06 118.70 122.42 3hs6 s GLU 186 Ca 0.00 -0.38 -0.30 0.00 0.36 0.00 0.00 54.97 54.66 3hs6 s GLU 186 Cb 0.00 -2.95 -0.07 0.00 0.26 0.00 0.00 34.13 31.37 3hs6 s GLU 186 CO 0.00 0.69 1.86 0.12 -0.54 0.00 0.00 175.26 177.39 3hs6 s PHE 187 N -1.12 1.53 -0.37 5.30 5.36 -1.26 -4.90 117.98 122.51 3hs6 s PHE 187 Ca 0.20 -0.15 -0.14 0.00 -0.96 0.00 0.00 56.93 55.89 3hs6 s PHE 187 Cb -0.12 -4.11 0.00 0.00 -0.34 0.00 0.00 43.02 38.45 3hs6 s PHE 187 CO 0.10 -4.82 0.27 0.42 -1.46 0.00 0.00 175.22 169.74 3hs6 s ILE 188 N 4.58 5.25 0.45 3.12 1.01 -1.26 -5.08 121.20 129.28 3hs6 s ILE 188 Ca 0.83 -0.45 -0.23 0.00 0.00 0.00 0.00 60.65 60.81 3hs6 s ILE 188 Cb -0.38 -3.81 -0.08 0.00 0.01 0.00 0.00 42.46 38.20 3hs6 s ILE 188 CO 0.37 -0.16 1.11 -2.84 0.00 0.00 0.00 174.94 173.42 3hs6 s PRO 189 N 1.70 3.84 -0.24 2.79 0.02 -1.26 -0.94 135.00 140.90 3hs6 s PRO 189 Ca 0.05 1.64 -0.29 0.00 0.02 0.00 0.00 61.00 62.43 3hs6 s PRO 189 Cb -0.18 -2.37 -0.03 0.00 0.02 0.00 0.00 34.50 31.93 3hs6 s PRO 189 CO 0.10 -0.45 1.81 0.34 -0.33 0.00 0.00 177.00 178.47 3hs6 s ASP 190 N -1.53 6.05 0.62 2.53 2.15 -0.22 -4.12 116.67 122.15 3hs6 s ASP 190 Ca 0.63 1.63 0.36 0.00 0.43 0.00 0.00 52.55 55.60 3hs6 s ASP 190 Cb -0.25 -2.53 2.07 0.00 -0.30 0.00 0.00 42.92 41.91 3hs6 s ASP 190 CO 0.30 -1.53 2.30 1.55 -0.17 0.00 0.00 175.17 177.63 3hs6 h PRO 191 N 12.23 0.00 0.00 4.34 0.13 -1.85 0.11 132.00 146.95 3hs6 h PRO 191 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3hs6 h PRO 191 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3hs6 h PRO 191 CO 1.00 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.81 3hs6 n GLN 192 N -3.53 0.03 -1.00 0.86 6.02 -1.25 -4.93 117.38 113.58 3hs6 n GLN 192 Ca -0.03 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3hs6 n GLN 192 Cb 0.08 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.84 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 1.08 0.52 3.70 1.08 0.00 0.38 -4.90 105.19 107.05 3hs6 n GLY 193 Ca 0.07 -0.88 -0.44 0.00 0.00 0.00 0.00 46.02 44.77 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 1.66 3.26 -4.47 1.61 7.64 -1.26 -0.06 113.62 122.01 3hs6 n SER 194 Ca 0.00 1.13 -0.19 0.00 1.01 0.00 0.00 58.87 60.83 3hs6 n SER 194 Cb 0.08 -1.50 0.04 0.00 -1.01 0.00 0.00 64.21 61.82 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 2.35 2.05 0.25 6.43 0.23 -0.37 0.78 115.26 126.98 3hs6 n ASN 195 Ca 0.11 -2.42 0.16 0.00 -0.53 0.00 0.00 54.58 51.91 3hs6 n ASN 195 Cb 0.33 -0.24 0.62 0.00 -2.08 0.00 0.00 39.78 38.41 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 -0.54 -3.83 2.86 -0.35 -2.34 114.93 110.73 3hs6 h MET 196 Ca -0.25 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.31 3hs6 h MET 196 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 3hs6 h MET 196 CO 0.38 0.00 0.06 0.52 1.06 0.00 0.00 176.91 178.93 3hs6 h MET 197 N 0.00 0.92 -0.19 1.72 2.86 -1.81 -1.72 114.93 116.71 3hs6 h MET 197 Ca 0.00 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 3hs6 h MET 197 Cb 0.53 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3hs6 h MET 197 CO 0.00 0.91 0.05 0.35 1.06 0.00 0.00 176.91 179.28 3hs6 h PHE 198 N 0.81 0.32 -0.46 -0.22 3.57 -1.69 -1.56 116.94 117.71 3hs6 h PHE 198 Ca 0.16 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3hs6 h PHE 198 Cb 0.45 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 3hs6 h PHE 198 CO 0.03 0.42 0.25 0.00 -2.23 0.00 0.00 178.31 176.78 3hs6 h ALA 199 N 0.87 0.58 -0.01 2.41 0.00 -1.40 -0.08 119.26 121.64 3hs6 h ALA 199 Ca 0.06 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3hs6 h ALA 199 Cb 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3hs6 h ALA 199 CO -0.00 0.11 -0.69 0.74 0.00 0.00 0.00 179.25 179.41 3hs6 h PHE 200 N 0.60 0.05 -0.47 0.00 0.04 -1.38 -2.40 116.94 113.38 3hs6 h PHE 200 Ca 0.16 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.88 3hs6 h PHE 200 Cb 0.05 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 3hs6 h PHE 200 CO -0.02 0.71 0.19 0.35 -0.60 0.00 0.00 178.31 178.94 3hs6 h PHE 201 N 0.02 0.72 -0.46 -0.55 3.57 -0.97 0.31 116.94 119.59 3hs6 h PHE 201 Ca -0.01 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.47 3hs6 h PHE 201 Cb 1.22 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 3hs6 h PHE 201 CO 0.00 0.61 0.25 0.00 -2.23 0.00 0.00 178.31 176.94 3hs6 h ALA 202 N 1.04 0.58 -0.29 2.41 0.00 -0.95 0.57 119.26 122.62 3hs6 h ALA 202 Ca 0.16 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 3hs6 h ALA 202 Cb 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hs6 h ALA 202 CO -0.01 -0.09 -0.38 0.37 0.00 0.00 0.00 179.25 179.13 3hs6 h GLN 203 N 0.49 0.77 -0.11 0.00 4.15 -1.22 -1.86 115.11 117.33 3hs6 h GLN 203 Ca 0.19 -0.44 -0.01 0.00 0.77 0.00 0.00 58.65 59.16 3hs6 h GLN 203 Cb 0.07 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 3hs6 h GLN 203 CO -0.12 1.07 0.03 1.25 -1.93 0.00 0.00 178.83 179.14 3hs6 h HIS 204 N 0.53 0.19 0.23 3.99 2.76 -0.79 -2.69 115.15 119.37 3hs6 h HIS 204 Ca 0.03 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 3hs6 h HIS 204 Cb 0.98 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.88 3hs6 h HIS 204 CO 0.07 0.33 -0.11 0.35 -1.30 0.00 0.00 177.93 177.27 3hs6 h PHE 205 N -0.01 -0.30 0.00 5.26 3.57 -0.89 -3.18 116.94 121.40 3hs6 h PHE 205 Ca 0.04 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 3hs6 h PHE 205 Cb 0.23 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 3hs6 h PHE 205 CO 0.00 -0.18 -0.30 1.79 -2.23 0.00 0.00 178.31 177.39 3hs6 h THR 206 N -0.32 0.70 0.00 4.41 1.35 -1.38 -2.94 112.91 114.74 3hs6 h THR 206 Ca -0.03 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 3hs6 h THR 206 Cb 0.24 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3hs6 h THR 206 CO 0.05 0.29 0.00 1.41 -0.25 0.00 0.00 175.52 177.02 3hs6 n HIS 207 N -3.45 0.00 0.10 4.73 8.25 -1.01 -0.57 115.22 123.26 3hs6 n HIS 207 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 3hs6 n HIS 207 Cb 0.47 -0.17 0.03 0.00 1.12 0.00 0.00 29.99 31.44 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 0.05 0.00 -0.41 3.07 -1.63 -3.40 115.11 112.79 3hs6 h GLN 208 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.69 3hs6 h GLN 208 Cb 0.12 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.69 3hs6 h GLN 208 CO 0.00 0.82 -0.56 1.97 0.09 0.00 0.00 178.83 181.16 3hs6 n PHE 209 N -3.62 0.00 -3.34 0.06 -1.74 -0.56 -4.79 117.46 103.48 3hs6 n PHE 209 Ca -0.01 0.00 -0.46 0.00 -0.56 0.00 0.00 57.45 56.42 3hs6 n PHE 209 Cb 0.77 -0.03 -0.05 0.00 1.52 0.00 0.00 39.48 41.68 3hs6 n PHE 209 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 3hs6 s PHE 210 N -1.71 3.34 -0.44 2.97 0.08 0.26 -4.79 117.98 117.69 3hs6 s PHE 210 Ca 0.00 -1.46 0.05 0.00 0.12 0.00 0.00 56.93 55.65 3hs6 s PHE 210 Cb 0.03 -3.77 0.20 0.00 -0.57 0.00 0.00 43.02 38.91 3hs6 s PHE 210 CO 0.17 -1.01 0.42 1.63 -0.10 0.00 0.00 175.22 176.33 3hs6 n LYS 211 N 5.02 0.56 -1.97 0.44 5.02 -1.26 -4.57 118.16 121.40 3hs6 n LYS 211 Ca -0.09 -3.35 -0.42 0.00 -2.02 0.00 0.00 58.31 52.43 3hs6 n LYS 211 Cb 0.41 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 3hs6 n LYS 211 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3hs6 s THR 212 N -0.53 2.83 -1.08 -0.18 2.01 -1.26 0.15 115.64 117.57 3hs6 s THR 212 Ca 0.33 0.53 -0.20 0.00 0.31 0.00 0.00 61.69 62.67 3hs6 s THR 212 Cb 0.08 -3.34 0.09 0.00 0.01 0.00 0.00 72.50 69.33 3hs6 s THR 212 CO -0.16 0.03 1.43 -0.62 -0.69 0.00 0.00 174.62 174.61 3hs6 s ASP 213 N 1.44 6.67 0.49 3.53 -1.08 0.74 -4.79 116.67 123.67 3hs6 s ASP 213 Ca 0.70 -1.99 0.19 0.00 -0.52 0.00 0.00 52.55 50.93 3hs6 s ASP 213 Cb -0.42 -2.51 1.23 0.00 -1.46 0.00 0.00 42.92 39.77 3hs6 s ASP 213 CO 0.31 -1.24 2.06 0.45 0.52 0.00 0.00 175.17 177.28 3hs6 h HIS 214 N 8.79 0.00 -0.28 -5.34 3.86 -1.85 0.44 115.15 120.77 3hs6 h HIS 214 Ca 0.25 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.44 3hs6 h HIS 214 Cb 0.97 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.42 3hs6 h HIS 214 CO 1.26 0.12 0.08 0.87 0.86 0.00 0.00 177.93 181.12 3hs6 h LYS 215 N 0.00 0.39 0.09 2.45 6.56 -1.99 -3.18 116.57 120.90 3hs6 h LYS 215 Ca -0.00 -0.05 -0.36 0.00 -1.06 0.00 0.00 60.65 59.18 3hs6 h LYS 215 Cb 0.24 -0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 31.79 3hs6 h LYS 215 CO 0.02 0.36 -2.06 0.54 -2.06 0.00 0.00 179.45 176.24 3hs6 n ARG 216 N -4.39 0.73 0.00 3.15 1.74 -0.45 -5.10 116.66 112.33 3hs6 n ARG 216 Ca 0.01 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 3hs6 n ARG 216 Cb 0.15 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 3hs6 n ARG 216 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hs6 n GLY 217 N 1.99 3.59 0.29 -0.13 0.00 0.02 -4.94 105.19 106.01 3hs6 n GLY 217 Ca -0.33 -1.58 0.19 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.35 1.61 0.13 -1.88 -2.51 132.00 129.01 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 -0.93 0.56 3.25 1.56 0.00 -1.26 -4.89 105.19 103.48 3hs6 n GLY 219 Ca -0.02 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.60 1.88 0.16 1.61 0.08 -0.95 -1.50 117.98 117.67 3hs6 s PHE 220 Ca 0.21 -0.37 0.11 0.00 0.12 0.00 0.00 56.93 57.00 3hs6 s PHE 220 Cb 0.11 -1.16 -0.04 0.00 -0.57 0.00 0.00 43.02 41.36 3hs6 s PHE 220 CO 0.13 0.05 -0.25 -0.08 -0.10 0.00 0.00 175.22 174.97 3hs6 s THR 221 N -0.68 2.31 -2.27 0.64 -1.32 0.24 -0.19 115.64 114.37 3hs6 s THR 221 Ca 0.08 -1.89 0.22 0.00 -1.21 0.00 0.00 61.69 58.90 3hs6 s THR 221 Cb -0.09 -2.07 0.05 0.00 -1.51 0.00 0.00 72.50 68.89 3hs6 s THR 221 CO 0.01 -0.01 1.12 0.54 -2.21 0.00 0.00 174.62 174.07 3hs6 n ARG 222 N 0.60 1.55 -3.07 7.08 1.74 0.12 -4.66 116.66 120.02 3hs6 n ARG 222 Ca -0.15 -1.26 -0.44 0.00 -0.77 0.00 0.00 57.85 55.22 3hs6 n ARG 222 Cb 0.54 -1.46 -0.00 0.00 -1.02 0.00 0.00 32.46 30.53 3hs6 n ARG 222 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3hs6 s GLY 223 N -2.29 2.67 0.30 -0.13 0.00 -1.26 -4.85 107.32 101.76 3hs6 s GLY 223 Ca 0.21 -3.51 0.26 0.00 0.00 0.00 0.00 44.72 41.67 3hs6 s GLY 223 CO 0.48 1.82 1.76 1.41 0.00 0.00 0.00 173.10 178.57 3hs6 h LEU 224 N 8.75 0.00 -0.73 0.66 3.38 -1.86 -1.95 115.31 123.56 3hs6 h LEU 224 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3hs6 h LEU 224 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3hs6 h LEU 224 CO 1.17 0.00 0.00 1.23 0.09 0.00 0.00 178.44 180.93 3hs6 h GLY 225 N 2.88 0.00 -6.41 0.83 0.00 -1.95 -3.47 103.07 94.95 3hs6 h GLY 225 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 3hs6 h GLY 225 CO 0.00 0.00 -0.83 1.42 0.00 0.00 0.00 176.54 177.13 3hs6 n HIS 226 N -2.48 -1.88 -0.26 5.60 8.25 -0.73 -4.81 115.22 118.91 3hs6 n HIS 226 Ca 0.02 0.82 0.00 0.00 -0.26 0.00 0.00 57.72 58.30 3hs6 n HIS 226 Cb 0.29 -3.79 0.00 0.00 1.12 0.00 0.00 29.99 27.61 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 -1.71 -0.56 3.48 -1.41 0.00 -1.26 -4.43 105.19 99.29 3hs6 n GLY 227 Ca -0.15 -0.68 -0.44 0.00 0.00 0.00 0.00 46.02 44.75 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 6.88 4.21 0.55 1.61 0.31 -1.26 -4.51 118.33 126.11 3hs6 n VAL 228 Ca 0.00 -4.64 0.06 0.00 -0.01 0.00 0.00 64.34 59.75 3hs6 n VAL 228 Cb 0.00 -2.45 0.03 0.00 -0.91 0.00 0.00 33.84 30.51 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 6.00 1.77 -2.83 4.52 5.68 -1.26 -4.95 116.55 125.48 3hs6 n ASP 229 Ca 0.39 -1.38 -0.21 0.00 -0.50 0.00 0.00 54.79 53.08 3hs6 n ASP 229 Cb 0.43 0.21 0.01 0.00 -1.14 0.00 0.00 41.12 40.64 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 0.31 -2.17 0.29 -2.12 4.77 -1.26 -4.89 117.00 111.94 3hs6 n LEU 230 Ca 0.06 -0.17 0.16 0.00 -0.03 0.00 0.00 56.01 56.03 3hs6 n LEU 230 Cb 0.30 -2.77 0.89 0.00 -2.33 0.00 0.00 43.42 39.50 3hs6 n LEU 230 CO 0.11 0.06 1.08 -0.55 -1.33 0.00 0.00 177.39 176.76 3hs6 h ASN 231 N -0.80 0.00 0.56 -1.43 7.08 -1.89 -0.42 115.58 118.68 3hs6 h ASN 231 Ca -0.48 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.74 3hs6 h ASN 231 Cb 1.34 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.58 3hs6 h ASN 231 CO 0.55 0.04 0.00 0.00 -2.08 0.00 0.00 177.43 175.94 3hs6 n HIS 232 N -3.63 0.32 -0.09 4.14 1.44 -1.26 0.57 115.22 116.70 3hs6 n HIS 232 Ca -0.02 0.13 -0.16 0.00 -2.01 0.00 0.00 57.72 55.66 3hs6 n HIS 232 Cb 0.15 -0.70 -0.08 0.00 0.12 0.00 0.00 29.99 29.47 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 -1.79 1.05 0.51 0.61 5.41 -0.43 -1.79 119.36 122.93 3hs6 n ILE 233 Ca 0.03 -0.35 0.11 0.00 1.00 0.00 0.00 62.75 63.53 3hs6 n ILE 233 Cb 0.18 -1.37 -0.13 0.00 -0.71 0.00 0.00 39.64 37.61 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 -3.34 0.03 0.00 1.39 4.01 -0.30 -2.78 117.16 116.17 3hs6 n TYR 234 Ca -0.34 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.41 3hs6 n TYR 234 Cb 0.81 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 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 1.38 1.46 0.22 2.72 0.00 0.19 -3.24 105.19 107.92 3hs6 n GLY 235 Ca 0.00 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 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 0.65 -6.20 1.61 4.57 -1.80 -3.43 114.58 109.99 3hs6 h GLU 236 Ca 0.00 -0.45 -0.52 0.00 -1.18 0.00 0.00 59.36 57.22 3hs6 h GLU 236 Cb 0.00 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.60 3hs6 h GLU 236 CO 0.00 1.07 -0.55 0.95 -1.18 0.00 0.00 179.01 179.30 3hs6 s THR 237 N -3.94 4.31 0.30 0.32 -4.23 -1.26 -5.03 115.64 106.12 3hs6 s THR 237 Ca -0.08 -1.45 -0.01 0.00 -1.18 0.00 0.00 61.69 58.96 3hs6 s THR 237 Cb 0.10 -3.32 0.22 0.00 1.34 0.00 0.00 72.50 70.85 3hs6 s THR 237 CO 0.86 -0.34 1.93 0.25 -0.54 0.00 0.00 174.62 176.78 3hs6 h LEU 238 N 1.60 0.83 -0.47 4.79 5.85 -1.95 -1.86 115.31 124.10 3hs6 h LEU 238 Ca -0.48 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.24 3hs6 h LEU 238 Cb 1.24 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 3hs6 h LEU 238 CO 0.61 0.68 0.15 0.44 -0.34 0.00 0.00 178.44 179.98 3hs6 h ASP 239 N 0.94 0.14 -0.02 1.25 3.32 -1.99 -0.84 116.42 119.22 3hs6 h ASP 239 Ca 0.24 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.35 3hs6 h ASP 239 Cb 0.03 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 3hs6 h ASP 239 CO -0.04 0.11 -0.00 -0.09 -1.72 0.00 0.00 179.24 177.50 3hs6 h ARG 240 N 0.32 0.04 -0.45 3.56 2.43 -1.83 -2.52 114.38 115.93 3hs6 h ARG 240 Ca 0.23 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.47 3hs6 h ARG 240 Cb 0.25 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.70 3hs6 h ARG 240 CO -0.24 0.39 -0.17 0.37 -1.51 0.00 0.00 179.97 178.81 3hs6 h GLN 241 N -0.32 -0.07 0.00 0.20 4.15 -1.23 -1.99 115.11 115.84 3hs6 h GLN 241 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 3hs6 h GLN 241 Cb 0.38 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 3hs6 h GLN 241 CO 0.00 -0.05 -0.19 0.45 -1.93 0.00 0.00 178.83 177.12 3hs6 h HIS 242 N -0.07 0.00 0.00 3.99 3.86 -1.12 -0.31 115.15 121.50 3hs6 h HIS 242 Ca 0.22 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.39 3hs6 h HIS 242 Cb 0.41 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 3hs6 h HIS 242 CO -0.44 0.19 -0.20 0.87 0.86 0.00 0.00 177.93 179.21 3hs6 h LYS 243 N 0.00 0.00 0.00 2.45 1.57 -0.93 -3.27 116.57 116.39 3hs6 h LYS 243 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hs6 h LYS 243 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3hs6 h LYS 243 CO 0.02 0.20 -1.02 1.28 -0.57 0.00 0.00 179.45 179.37 3hs6 n LEU 244 N -3.21 0.64 -4.84 2.94 4.77 -0.23 -4.77 117.00 112.31 3hs6 n LEU 244 Ca 0.02 -0.12 -0.34 0.00 -0.03 0.00 0.00 56.01 55.54 3hs6 n LEU 244 Cb 0.53 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 3hs6 n LEU 244 CO 0.35 0.10 0.39 -0.13 -1.33 0.00 0.00 177.39 176.76 3hs6 s ARG 245 N -3.15 4.10 0.25 3.23 0.52 -0.58 -0.69 118.95 122.63 3hs6 s ARG 245 Ca 0.05 0.71 0.13 0.00 -0.52 0.00 0.00 55.73 56.11 3hs6 s ARG 245 Cb 0.15 -2.69 0.07 0.00 0.52 0.00 0.00 34.95 33.00 3hs6 s ARG 245 CO 0.81 0.30 1.44 1.25 0.02 0.00 0.00 175.30 179.12 3hs6 h LEU 246 N 2.91 0.00 2.33 2.53 5.85 -1.34 -3.41 115.31 124.18 3hs6 h LEU 246 Ca -0.48 0.00 -0.40 0.00 0.84 0.00 0.00 57.88 57.84 3hs6 h LEU 246 Cb 1.18 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 3hs6 h LEU 246 CO 0.66 0.61 -0.47 0.49 -0.34 0.00 0.00 178.44 179.39 3hs6 n PHE 247 N -3.30 -0.73 -3.95 1.25 3.72 -1.26 -5.00 117.46 108.19 3hs6 n PHE 247 Ca 0.01 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.21 3hs6 n PHE 247 Cb 0.76 -3.71 -0.17 0.00 -0.94 0.00 0.00 39.48 35.42 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 -4.62 0.62 -2.06 -1.08 2.20 -1.26 -4.87 119.74 108.67 3hs6 s LYS 248 Ca 0.00 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 3hs6 s LYS 248 Cb 0.00 -0.81 0.00 0.00 -1.51 0.00 0.00 37.83 35.51 3hs6 s LYS 248 CO 0.00 -0.18 0.00 -0.25 -0.36 0.00 0.00 175.35 174.56 3hs6 n ASP 249 N 4.51 -5.58 0.00 1.43 8.00 -1.26 -1.96 116.55 121.69 3hs6 n ASP 249 Ca -0.18 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.67 3hs6 n ASP 249 Cb 0.50 -4.84 0.00 0.00 -0.02 0.00 0.00 41.12 36.77 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 -0.58 0.93 3.91 0.44 0.00 -1.24 -4.75 105.19 103.90 3hs6 n GLY 250 Ca -0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.06 3.18 0.12 1.61 1.02 -0.83 -3.90 119.74 120.88 3hs6 s LYS 251 Ca 0.00 0.18 -0.13 0.00 0.02 0.00 0.00 55.97 56.04 3hs6 s LYS 251 Cb 0.00 -2.26 -0.06 0.00 -0.52 0.00 0.00 37.83 34.99 3hs6 s LYS 251 CO 0.00 -0.57 0.50 -0.51 -0.92 0.00 0.00 175.35 173.85 3hs6 s LEU 252 N -4.97 4.35 0.63 3.17 1.43 -1.26 -1.03 118.68 121.00 3hs6 s LEU 252 Ca 0.52 0.98 -0.18 0.00 -1.03 0.00 0.00 54.13 54.42 3hs6 s LEU 252 Cb -0.11 -3.15 -0.02 0.00 0.03 0.00 0.00 46.19 42.94 3hs6 s LEU 252 CO 0.47 0.13 1.23 0.29 0.23 0.00 0.00 176.35 178.70 3hs6 n LYS 253 N 0.87 1.10 -3.93 1.70 5.02 0.14 -4.61 118.16 118.44 3hs6 n LYS 253 Ca -0.06 0.43 -0.08 0.00 -2.02 0.00 0.00 58.31 56.57 3hs6 n LYS 253 Cb 0.52 -2.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.03 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 -1.41 0.14 0.18 2.13 -0.85 -1.26 -4.10 117.35 112.18 3hs6 s TYR 254 Ca 0.81 -0.53 0.06 0.00 -0.52 0.00 0.00 57.07 56.89 3hs6 s TYR 254 Cb -0.39 0.38 -0.05 0.00 0.38 0.00 0.00 41.96 42.29 3hs6 s TYR 254 CO 0.42 -1.07 -0.12 1.14 -1.52 0.00 0.00 175.55 174.40 3hs6 s GLN 255 N -3.97 1.21 -0.25 -3.49 -2.07 -0.25 -4.69 119.66 106.14 3hs6 s GLN 255 Ca 0.17 -1.53 -0.02 0.00 -1.82 0.00 0.00 55.36 52.17 3hs6 s GLN 255 Cb -0.03 -0.89 0.03 0.00 -1.09 0.00 0.00 33.01 31.04 3hs6 s GLN 255 CO 0.07 0.13 -0.05 0.08 -1.32 0.00 0.00 175.29 174.20 3hs6 s VAL 256 N -3.14 2.88 -0.17 3.63 1.01 -1.26 -1.23 120.40 122.13 3hs6 s VAL 256 Ca 0.20 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 61.11 3hs6 s VAL 256 Cb 0.01 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.91 3hs6 s VAL 256 CO 0.04 0.16 -0.18 -0.63 0.00 0.00 0.00 175.10 174.49 3hs6 s ILE 257 N 1.31 2.35 -1.62 2.22 1.01 0.04 -4.68 121.20 121.84 3hs6 s ILE 257 Ca -0.01 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 59.63 3hs6 s ILE 257 Cb -0.17 -1.99 0.12 0.00 0.01 0.00 0.00 42.46 40.43 3hs6 s ILE 257 CO -0.04 0.52 0.83 0.61 0.00 0.00 0.00 174.94 176.86 3hs6 n GLY 258 N 4.34 -0.45 3.09 6.18 0.00 -1.26 -0.73 105.19 116.37 3hs6 n GLY 258 Ca -0.20 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.54 1.86 3.83 -0.02 0.00 -1.26 -5.02 105.19 103.05 3hs6 n GLY 259 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.03 3.70 -0.21 1.61 0.41 0.09 -5.06 118.70 119.21 3hs6 s GLU 260 Ca 0.00 -0.09 -0.27 0.00 -0.41 0.00 0.00 54.97 54.20 3hs6 s GLU 260 Cb 0.00 -3.26 -0.00 0.00 -1.78 0.00 0.00 34.13 29.09 3hs6 s GLU 260 CO 0.00 0.63 0.94 0.08 -0.49 0.00 0.00 175.26 176.42 3hs6 s VAL 261 N -0.64 4.77 0.28 2.63 1.01 -1.26 -0.78 120.40 126.42 3hs6 s VAL 261 Ca 0.14 1.83 0.06 0.00 0.00 0.00 0.00 61.98 64.02 3hs6 s VAL 261 Cb -0.12 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 31.97 3hs6 s VAL 261 CO 0.03 -0.09 -0.04 -0.31 0.00 0.00 0.00 175.10 174.69 3hs6 s TYR 262 N 2.78 1.94 0.85 5.22 2.02 -0.36 -4.98 117.35 124.81 3hs6 s TYR 262 Ca 0.41 -0.73 -0.13 0.00 -0.37 0.00 0.00 57.07 56.25 3hs6 s TYR 262 Cb -0.16 -1.13 0.08 0.00 -0.40 0.00 0.00 41.96 40.36 3hs6 s TYR 262 CO 0.09 0.24 1.04 -2.30 -1.57 0.00 0.00 175.55 173.05 3hs6 n PRO 263 N -0.59 -0.03 -1.69 -1.71 -0.02 -1.26 -1.09 135.00 128.61 3hs6 n PRO 263 Ca -0.05 0.06 -0.30 0.00 -2.02 0.00 0.00 63.50 61.20 3hs6 n PRO 263 Cb 0.64 -2.30 0.18 0.00 -0.02 0.00 0.00 33.50 31.99 3hs6 n PRO 263 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hs6 s PRO 264 N -4.08 0.45 0.48 0.52 0.04 -1.26 -4.19 135.00 126.97 3hs6 s PRO 264 Ca 0.69 -0.18 -0.03 0.00 0.04 0.00 0.00 61.00 61.52 3hs6 s PRO 264 Cb -0.27 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 3hs6 s PRO 264 CO 0.55 -2.58 0.75 0.95 0.04 0.00 0.00 177.00 176.72 3hs6 s THR 265 N -3.58 4.31 0.16 1.26 -4.23 -1.26 -0.21 115.64 112.09 3hs6 s THR 265 Ca 0.71 -0.16 -0.15 0.00 -1.18 0.00 0.00 61.69 60.90 3hs6 s THR 265 Cb -0.07 -3.63 0.04 0.00 1.34 0.00 0.00 72.50 70.17 3hs6 s THR 265 CO 0.53 -0.55 1.80 0.58 -0.54 0.00 0.00 174.62 176.45 3hs6 h VAL 266 N 0.24 1.04 -0.35 2.29 2.07 -1.41 -2.55 116.25 117.58 3hs6 h VAL 266 Ca -0.47 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 66.92 3hs6 h VAL 266 Cb 1.24 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 3hs6 h VAL 266 CO 0.60 0.09 0.13 0.50 0.02 0.00 0.00 177.57 178.91 3hs6 h LYS 267 N 0.52 0.27 -0.71 1.57 1.63 -1.88 0.48 116.57 118.45 3hs6 h LYS 267 Ca 0.18 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.89 3hs6 h LYS 267 Cb 0.02 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 3hs6 h LYS 267 CO -0.09 0.18 0.17 0.22 -3.45 0.00 0.00 179.45 176.49 3hs6 h ASP 268 N 0.28 1.07 0.10 4.20 3.58 -1.95 -3.32 116.42 120.38 3hs6 h ASP 268 Ca 0.16 -0.22 -0.04 0.00 0.42 0.00 0.00 57.03 57.35 3hs6 h ASP 268 Cb 0.13 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 3hs6 h ASP 268 CO -0.16 1.02 -1.94 0.35 -2.88 0.00 0.00 179.24 175.63 3hs6 n THR 269 N -4.23 0.21 -2.86 2.25 -2.24 -0.97 -4.99 114.28 101.46 3hs6 n THR 269 Ca 0.05 -0.54 -0.22 0.00 -2.27 0.00 0.00 64.05 61.07 3hs6 n THR 269 Cb 0.26 -0.09 0.02 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.36 -4.01 -3.45 -0.78 6.02 0.16 -4.85 117.38 108.12 3hs6 n GLN 270 Ca -0.06 0.93 -0.39 0.00 -0.01 0.00 0.00 57.00 57.47 3hs6 n GLN 270 Cb 0.63 -5.74 -0.09 0.00 1.02 0.00 0.00 30.24 26.05 3hs6 n GLN 270 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hs6 s VAL 271 N -3.14 5.22 0.12 5.09 1.01 -1.24 -5.05 120.40 122.42 3hs6 s VAL 271 Ca 0.22 0.47 -0.31 0.00 0.00 0.00 0.00 61.98 62.36 3hs6 s VAL 271 Cb -0.10 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 32.53 3hs6 s VAL 271 CO 0.27 0.20 1.75 -1.61 0.00 0.00 0.00 175.10 175.71 3hs6 s GLU 272 N 1.84 4.16 0.06 2.72 2.02 -1.26 -4.73 118.70 123.51 3hs6 s GLU 272 Ca 0.13 2.50 0.03 0.00 0.02 0.00 0.00 54.97 57.65 3hs6 s GLU 272 Cb -0.16 -3.52 -0.03 0.00 0.10 0.00 0.00 34.13 30.53 3hs6 s GLU 272 CO 0.09 -0.78 -0.09 -1.64 0.02 0.00 0.00 175.26 172.87 3hs6 s MET 273 N 2.45 0.66 -0.41 1.61 -1.94 -1.26 -4.72 119.30 115.68 3hs6 s MET 273 Ca 0.77 -0.94 -0.26 0.00 -1.71 0.00 0.00 55.69 53.56 3hs6 s MET 273 Cb -0.44 -0.37 0.02 0.00 2.01 0.00 0.00 34.83 36.05 3hs6 s MET 273 CO 0.34 0.06 0.92 0.42 -0.01 0.00 0.00 175.02 176.75 3hs6 s ILE 274 N -1.93 4.54 -0.06 2.53 -1.09 -0.35 -5.02 121.20 119.81 3hs6 s ILE 274 Ca -0.03 0.98 -0.07 0.00 -2.23 0.00 0.00 60.65 59.29 3hs6 s ILE 274 Cb -0.06 -4.37 0.02 0.00 -1.58 0.00 0.00 42.46 36.46 3hs6 s ILE 274 CO -0.00 -0.67 0.20 -0.31 -1.23 0.00 0.00 174.94 172.92 3hs6 s TYR 275 N 3.59 -0.18 0.59 3.97 1.51 -1.26 -4.59 117.35 120.98 3hs6 s TYR 275 Ca 0.37 0.44 -0.19 0.00 -1.01 0.00 0.00 57.07 56.68 3hs6 s TYR 275 Cb -0.11 0.06 -0.04 0.00 -0.11 0.00 0.00 41.96 41.76 3hs6 s TYR 275 CO 0.22 -0.14 1.20 -2.14 -1.11 0.00 0.00 175.55 173.58 3hs6 s PRO 276 N -0.16 3.01 0.54 -1.71 0.02 -1.26 -4.93 135.00 130.51 3hs6 s PRO 276 Ca -0.03 1.82 0.30 0.00 0.02 0.00 0.00 61.00 63.11 3hs6 s PRO 276 Cb -0.02 -1.95 1.46 0.00 0.02 0.00 0.00 34.50 34.01 3hs6 s PRO 276 CO 0.01 -1.17 1.92 -1.35 -0.33 0.00 0.00 177.00 176.07 3hs6 h PRO 277 N 0.94 0.00 -0.83 5.54 0.11 -2.03 -3.09 132.00 132.64 3hs6 h PRO 277 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hs6 h PRO 277 Cb 1.30 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3hs6 h PRO 277 CO 0.55 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.96 3hs6 n HIS 278 N -4.30 0.68 -3.74 0.65 1.44 -1.26 -4.90 115.22 103.80 3hs6 n HIS 278 Ca 0.16 -0.24 -0.35 0.00 -2.01 0.00 0.00 57.72 55.28 3hs6 n HIS 278 Cb 0.87 -0.23 -0.09 0.00 0.12 0.00 0.00 29.99 30.66 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 -1.60 5.29 0.29 0.61 1.01 -1.17 -5.06 121.20 120.58 3hs6 s ILE 279 Ca 0.18 0.15 -0.29 0.00 0.00 0.00 0.00 60.65 60.69 3hs6 s ILE 279 Cb 0.14 -3.43 -0.13 0.00 0.01 0.00 0.00 42.46 39.04 3hs6 s ILE 279 CO 0.06 0.41 1.22 -2.65 0.00 0.00 0.00 174.94 173.97 3hs6 n PRO 280 N 3.82 1.78 -0.24 2.79 -0.02 -1.26 -4.80 135.00 137.06 3hs6 n PRO 280 Ca -0.16 0.63 0.03 0.00 -2.02 0.00 0.00 63.50 61.98 3hs6 n PRO 280 Cb 0.52 -2.15 0.12 0.00 -0.02 0.00 0.00 33.50 31.97 3hs6 n PRO 280 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3hs6 h GLU 281 N 2.81 0.06 0.00 -0.52 4.81 -1.97 0.12 114.58 119.89 3hs6 h GLU 281 Ca -0.43 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3hs6 h GLU 281 Cb 1.30 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3hs6 h GLU 281 CO 0.65 0.04 0.00 -0.91 -0.73 0.00 0.00 179.01 178.06 3hs6 h ASN 282 N 0.06 0.00 0.00 1.04 4.21 -2.01 -2.10 115.58 116.78 3hs6 h ASN 282 Ca 0.37 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.88 3hs6 h ASN 282 Cb 0.63 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.83 3hs6 h ASN 282 CO -0.67 0.00 -0.06 0.18 -1.29 0.00 0.00 177.43 175.58 3hs6 n LEU 283 N -2.63 2.11 -4.13 1.61 4.77 0.38 -4.54 117.00 114.58 3hs6 n LEU 283 Ca 0.01 -0.70 -0.43 0.00 -0.03 0.00 0.00 56.01 54.86 3hs6 n LEU 283 Cb 0.24 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3hs6 n LEU 283 CO 0.22 0.36 2.06 0.00 -1.33 0.00 0.00 177.39 178.70 3hs6 n GLN 284 N 0.56 3.24 -2.20 3.23 6.02 -0.79 -4.86 117.38 122.58 3hs6 n GLN 284 Ca 0.16 -3.27 -0.41 0.00 -0.01 0.00 0.00 57.00 53.47 3hs6 n GLN 284 Cb 0.46 -3.20 -0.03 0.00 1.02 0.00 0.00 30.24 28.50 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 2.40 3.24 -0.25 1.08 0.08 -1.26 -1.16 117.98 122.10 3hs6 s PHE 285 Ca 0.46 1.23 -0.10 0.00 0.12 0.00 0.00 56.93 58.64 3hs6 s PHE 285 Cb 0.07 -3.61 -0.04 0.00 -0.57 0.00 0.00 43.02 38.86 3hs6 s PHE 285 CO -0.00 -1.90 0.14 0.00 -0.10 0.00 0.00 175.22 173.36 3hs6 s ALA 286 N 0.00 3.44 0.34 5.36 0.00 0.70 -4.76 121.76 126.85 3hs6 s ALA 286 Ca 0.56 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 51.55 3hs6 s ALA 286 Cb -0.37 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 3hs6 s ALA 286 CO 0.39 -0.39 0.22 0.14 0.00 0.00 0.00 175.76 176.13 3hs6 s VAL 287 N 1.44 0.17 0.13 0.00 -7.23 -1.26 -4.11 120.40 109.53 3hs6 s VAL 287 Ca 0.07 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.99 3hs6 s VAL 287 Cb -0.15 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 3hs6 s VAL 287 CO 0.07 0.00 1.65 1.23 -0.31 0.00 0.00 175.10 177.74 3hs6 h GLY 288 N 2.09 -0.26 -6.18 2.32 0.00 -1.40 -3.40 103.07 96.24 3hs6 h GLY 288 Ca -0.29 0.26 -0.60 0.00 0.00 0.00 0.00 47.33 46.70 3hs6 h GLY 288 CO 0.44 -0.19 -0.11 1.62 0.00 0.00 0.00 176.54 178.30 3hs6 s GLN 289 N -6.09 4.21 0.62 4.80 2.00 -0.74 -4.13 119.66 120.32 3hs6 s GLN 289 Ca -0.15 0.34 0.38 0.00 -2.00 0.00 0.00 55.36 53.93 3hs6 s GLN 289 Cb 0.10 -3.53 2.06 0.00 0.80 0.00 0.00 33.01 32.43 3hs6 s GLN 289 CO 0.67 -0.06 2.27 1.05 -0.50 0.00 0.00 175.29 178.71 3hs6 h GLU 290 N 7.32 0.00 -0.02 1.67 4.11 -1.85 -2.82 114.58 123.00 3hs6 h GLU 290 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.07 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 0.73 0.02 -0.28 1.55 0.07 0.00 0.00 179.01 181.10 3hs6 n VAL 291 N -3.33 0.00 0.41 -1.06 3.14 -1.26 -1.22 118.33 115.01 3hs6 n VAL 291 Ca -0.02 -0.26 0.12 0.00 -2.96 0.00 0.00 64.34 61.21 3hs6 n VAL 291 Cb 0.12 0.97 0.49 0.00 -1.06 0.00 0.00 33.84 34.36 3hs6 n VAL 291 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 3hs6 n PHE 292 N 0.05 0.83 0.47 1.45 3.01 -1.06 -1.80 117.46 120.41 3hs6 n PHE 292 Ca 0.12 0.32 0.11 0.00 1.01 0.00 0.00 57.45 59.01 3hs6 n PHE 292 Cb 0.44 -1.01 0.46 0.00 -0.01 0.00 0.00 39.48 39.36 3hs6 n PHE 292 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hs6 n GLY 293 N 0.09 -1.31 0.36 1.37 0.00 -1.26 -3.60 105.19 100.83 3hs6 n GLY 293 Ca 0.02 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.17 3hs6 n GLY 293 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hs6 h LEU 294 N 0.00 0.63 -7.54 0.99 5.85 -1.60 -3.38 115.31 110.25 3hs6 h LEU 294 Ca 0.00 0.01 -0.39 0.00 0.84 0.00 0.00 57.88 58.34 3hs6 h LEU 294 Cb 0.41 -0.12 -0.36 0.00 0.37 0.00 0.00 40.66 40.96 3hs6 h LEU 294 CO 0.00 0.39 -0.76 -0.69 -0.34 0.00 0.00 178.44 177.04 3hs6 s VAL 295 N -5.64 0.27 0.53 1.05 1.01 -1.24 0.16 120.40 116.54 3hs6 s VAL 295 Ca -0.09 0.11 0.18 0.00 0.00 0.00 0.00 61.98 62.18 3hs6 s VAL 295 Cb 0.20 -0.40 0.28 0.00 0.00 0.00 0.00 36.38 36.46 3hs6 s VAL 295 CO 0.77 0.20 2.16 -0.65 0.00 0.00 0.00 175.10 177.59 3hs6 h PRO 296 N 7.79 0.00 -0.53 2.72 0.11 -1.83 -0.86 132.00 139.41 3hs6 h PRO 296 Ca -0.29 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 3hs6 h PRO 296 Cb 1.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3hs6 h PRO 296 CO 0.35 0.01 0.13 0.78 -0.21 0.00 0.00 178.00 179.06 3hs6 h GLY 297 N 0.04 0.86 1.22 -0.55 0.00 -1.93 -0.41 103.07 102.31 3hs6 h GLY 297 Ca -0.00 -0.49 -0.20 0.00 0.00 0.00 0.00 47.33 46.63 3hs6 h GLY 297 CO 0.00 0.46 -0.68 1.41 0.00 0.00 0.00 176.54 177.73 3hs6 h LEU 298 N 0.78 0.91 -1.38 3.11 3.38 -1.46 -3.16 115.31 117.48 3hs6 h LEU 298 Ca 0.17 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 3hs6 h LEU 298 Cb 0.29 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3hs6 h LEU 298 CO -0.00 1.34 0.10 0.24 0.09 0.00 0.00 178.44 180.21 3hs6 h MET 299 N 0.56 0.52 -0.25 1.13 2.86 -1.09 -0.67 114.93 117.99 3hs6 h MET 299 Ca -0.02 -0.08 0.06 0.00 -2.06 0.00 0.00 59.70 57.60 3hs6 h MET 299 Cb 1.30 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.80 3hs6 h MET 299 CO 0.14 0.47 -0.13 1.98 1.06 0.00 0.00 176.91 180.42 3hs6 h MET 300 N 0.51 -0.10 -0.27 1.72 1.85 -1.05 0.37 114.93 117.96 3hs6 h MET 300 Ca 0.12 0.01 -0.17 0.00 -0.61 0.00 0.00 59.70 59.05 3hs6 h MET 300 Cb 0.17 0.02 -0.00 0.00 0.43 0.00 0.00 31.60 32.22 3hs6 h MET 300 CO -0.01 -0.07 -0.51 1.88 -0.40 0.00 0.00 176.91 177.80 3hs6 h TYR 301 N -0.11 0.96 -0.77 1.39 -1.99 -1.46 -1.46 116.97 113.53 3hs6 h TYR 301 Ca 0.13 -0.33 0.08 0.00 2.00 0.00 0.00 58.73 60.62 3hs6 h TYR 301 Cb 0.31 -0.19 -0.07 0.00 2.00 0.00 0.00 36.73 38.79 3hs6 h TYR 301 CO -0.31 1.12 0.43 0.00 -0.00 0.00 0.00 178.16 179.40 3hs6 h ALA 302 N 0.82 1.07 -0.19 3.88 0.00 -0.87 0.12 119.26 124.08 3hs6 h ALA 302 Ca 0.02 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3hs6 h ALA 302 Cb 1.09 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3hs6 h ALA 302 CO 0.11 0.07 -0.16 1.15 0.00 0.00 0.00 179.25 180.42 3hs6 h THR 303 N 0.74 1.33 -0.44 0.00 2.02 -0.83 -1.28 112.91 114.45 3hs6 h THR 303 Ca 0.36 -1.30 0.03 0.00 0.77 0.00 0.00 66.41 66.27 3hs6 h THR 303 Cb 0.31 1.75 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 3hs6 h THR 303 CO -0.23 0.39 0.24 0.40 0.37 0.00 0.00 175.52 176.69 3hs6 h ILE 304 N 0.11 1.00 -0.31 3.11 2.04 -0.93 -1.66 117.51 120.87 3hs6 h ILE 304 Ca 0.03 -0.16 -0.14 0.00 1.00 0.00 0.00 64.86 65.59 3hs6 h ILE 304 Cb 0.69 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3hs6 h ILE 304 CO 0.04 0.09 -0.37 -0.50 0.00 0.00 0.00 178.15 177.40 3hs6 h TRP 305 N 0.47 0.87 -0.11 1.37 4.06 -0.98 -1.08 115.95 120.55 3hs6 h TRP 305 Ca 0.18 -0.25 0.02 0.00 2.06 0.00 0.00 58.89 60.91 3hs6 h TRP 305 Cb 0.06 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 28.01 3hs6 h TRP 305 CO -0.09 1.00 -0.03 1.25 -3.56 0.00 0.00 178.44 177.01 3hs6 h LEU 306 N 0.61 -0.12 -0.34 -4.49 6.46 -1.00 -0.90 115.31 115.53 3hs6 h LEU 306 Ca 0.06 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.89 3hs6 h LEU 306 Cb 0.91 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.88 3hs6 h LEU 306 CO 0.08 -0.04 0.11 0.03 -0.62 0.00 0.00 178.44 177.99 3hs6 h ARG 307 N -0.01 0.24 -0.57 1.25 3.08 -1.16 -2.30 114.38 114.90 3hs6 h ARG 307 Ca 0.06 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.18 3hs6 h ARG 307 Cb 0.09 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.02 3hs6 h ARG 307 CO -0.12 0.16 0.18 1.49 -1.07 0.00 0.00 179.97 180.60 3hs6 h GLU 308 N 0.24 0.33 -0.31 0.04 4.57 -0.93 0.16 114.58 118.68 3hs6 h GLU 308 Ca 0.16 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.35 3hs6 h GLU 308 Cb 0.14 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 3hs6 h GLU 308 CO -0.17 0.22 0.12 1.25 -1.18 0.00 0.00 179.01 179.24 3hs6 h HIS 309 N 0.34 0.21 -0.19 0.92 2.76 -0.82 -0.50 115.15 117.87 3hs6 h HIS 309 Ca 0.29 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.36 3hs6 h HIS 309 Cb 0.37 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 3hs6 h HIS 309 CO -0.19 0.10 -0.36 -0.91 -1.30 0.00 0.00 177.93 175.26 3hs6 h ASN 310 N 0.26 0.42 -0.50 3.26 4.21 -0.85 -1.10 115.58 121.28 3hs6 h ASN 310 Ca 0.14 -0.17 -0.02 0.00 1.21 0.00 0.00 56.30 57.46 3hs6 h ASN 310 Cb 0.10 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.16 3hs6 h ASN 310 CO -0.14 0.75 0.22 -0.09 -1.29 0.00 0.00 177.43 176.89 3hs6 h ARG 311 N 0.35 0.73 -0.46 0.81 2.43 -0.36 -2.13 114.38 115.75 3hs6 h ARG 311 Ca 0.04 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 59.00 3hs6 h ARG 311 Cb 0.80 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 3hs6 h ARG 311 CO 0.06 0.63 -0.09 0.28 -1.51 0.00 0.00 179.97 179.35 3hs6 h VAL 312 N 0.67 1.26 -0.57 0.20 2.07 -0.77 -2.30 116.25 116.80 3hs6 h VAL 312 Ca 0.17 -1.15 0.10 0.00 0.82 0.00 0.00 66.70 66.64 3hs6 h VAL 312 Cb 0.15 1.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 3hs6 h VAL 312 CO -0.02 0.40 0.15 0.00 0.02 0.00 0.00 177.57 178.12 3hs6 h ASP 314 N 0.30 0.60 -0.38 0.00 3.32 -0.89 -0.42 116.42 118.96 3hs6 h ASP 314 Ca 0.29 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 3hs6 h ASP 314 Cb 0.41 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3hs6 h ASP 314 CO -0.35 0.43 0.15 0.40 -1.72 0.00 0.00 179.24 178.14 3hs6 h ILE 315 N 0.72 1.19 -0.17 0.35 2.04 -1.00 -2.49 117.51 118.16 3hs6 h ILE 315 Ca 0.23 -0.59 -0.11 0.00 1.00 0.00 0.00 64.86 65.39 3hs6 h ILE 315 Cb -0.02 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3hs6 h ILE 315 CO -0.08 0.21 -0.37 -0.07 0.00 0.00 0.00 178.15 177.84 3hs6 h LEU 316 N 0.46 0.38 -0.66 1.44 3.38 -0.75 -1.96 115.31 117.60 3hs6 h LEU 316 Ca 0.13 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3hs6 h LEU 316 Cb 0.19 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3hs6 h LEU 316 CO -0.01 0.72 0.10 0.50 0.09 0.00 0.00 178.44 179.85 3hs6 h LYS 317 N 0.31 1.10 -0.59 1.13 3.64 -0.98 0.62 116.57 121.79 3hs6 h LYS 317 Ca 0.03 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.08 3hs6 h LYS 317 Cb 0.79 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 3hs6 h LYS 317 CO 0.06 1.01 0.21 0.37 -2.27 0.00 0.00 179.45 178.84 3hs6 h GLN 318 N 1.02 0.90 -0.08 1.90 4.15 -1.18 -1.91 115.11 119.92 3hs6 h GLN 318 Ca 0.20 -0.18 -0.18 0.00 0.77 0.00 0.00 58.65 59.26 3hs6 h GLN 318 Cb 0.45 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 3hs6 h GLN 318 CO 0.01 0.79 -0.72 1.49 -1.93 0.00 0.00 178.83 178.48 3hs6 h GLU 319 N 0.83 0.40 -2.33 1.69 4.57 -1.14 -3.38 114.58 115.21 3hs6 h GLU 319 Ca 0.20 -0.32 -0.59 0.00 -1.18 0.00 0.00 59.36 57.46 3hs6 h GLU 319 Cb 0.24 0.07 -0.40 0.00 -0.16 0.00 0.00 28.75 28.49 3hs6 h GLU 319 CO -0.01 0.96 -0.83 0.72 -1.18 0.00 0.00 179.01 178.67 3hs6 n HIS 320 N -3.84 1.42 0.32 0.92 8.25 0.21 -4.91 115.22 117.59 3hs6 n HIS 320 Ca -0.04 -3.83 0.22 0.00 -0.26 0.00 0.00 57.72 53.80 3hs6 n HIS 320 Cb 0.70 -0.34 1.15 0.00 1.12 0.00 0.00 29.99 32.62 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 4.63 0.00 0.00 -0.41 0.13 -1.54 -1.62 132.00 133.19 3hs6 h PRO 321 Ca 0.16 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.26 3hs6 h PRO 321 Cb 0.80 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 3hs6 h PRO 321 CO 0.61 0.00 -0.18 1.05 -0.23 0.00 0.00 178.00 179.25 3hs6 h GLU 322 N 0.00 0.00 -7.08 0.86 9.09 -1.91 -3.47 114.58 112.07 3hs6 h GLU 322 Ca 0.00 0.00 -0.48 0.00 0.05 0.00 0.00 59.36 58.93 3hs6 h GLU 322 Cb 0.03 0.00 0.05 0.00 -1.65 0.00 0.00 28.75 27.18 3hs6 h GLU 322 CO 0.00 0.18 0.41 -1.58 0.05 0.00 0.00 179.01 178.06 3hs6 s TRP 323 N -3.21 2.85 0.67 2.06 0.52 -0.61 -5.07 118.94 116.16 3hs6 s TRP 323 Ca 0.05 1.56 0.02 0.00 0.02 0.00 0.00 56.10 57.75 3hs6 s TRP 323 Cb 0.07 -3.17 0.11 0.00 -1.15 0.00 0.00 33.47 29.33 3hs6 s TRP 323 CO 0.68 -1.16 0.93 0.20 0.02 0.00 0.00 176.95 177.62 3hs6 s GLY 324 N -1.89 1.76 0.21 0.98 0.00 -1.26 -4.95 107.32 102.17 3hs6 s GLY 324 Ca 0.70 -1.78 -0.09 0.00 0.00 0.00 0.00 44.72 43.54 3hs6 s GLY 324 CO 0.23 -1.27 1.80 -1.80 0.00 0.00 0.00 173.10 172.07 3hs6 h ASP 325 N -0.32 0.54 -0.04 1.64 3.58 -1.93 -2.28 116.42 117.61 3hs6 h ASP 325 Ca -0.35 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.13 3hs6 h ASP 325 Cb 1.27 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 42.25 3hs6 h ASP 325 CO 0.41 0.35 0.03 -0.08 -2.88 0.00 0.00 179.24 177.07 3hs6 h GLU 326 N 0.68 0.06 -0.39 0.28 4.57 -1.95 -1.29 114.58 116.54 3hs6 h GLU 326 Ca 0.31 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.40 3hs6 h GLU 326 Cb 0.21 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 3hs6 h GLU 326 CO -0.19 0.08 -0.10 0.37 -1.18 0.00 0.00 179.01 177.98 3hs6 h GLN 327 N 0.02 0.68 -0.07 1.92 4.15 -1.93 -2.06 115.11 117.81 3hs6 h GLN 327 Ca 0.02 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.22 3hs6 h GLN 327 Cb 0.04 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.66 3hs6 h GLN 327 CO -0.00 0.77 0.03 -0.07 -1.93 0.00 0.00 178.83 177.62 3hs6 h LEU 328 N 0.62 0.10 0.11 -2.39 3.38 -1.21 -1.05 115.31 114.87 3hs6 h LEU 328 Ca 0.11 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3hs6 h LEU 328 Cb 0.54 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3hs6 h LEU 328 CO 0.03 0.24 -0.23 0.15 0.09 0.00 0.00 178.44 178.72 3hs6 h PHE 329 N -0.05 -0.61 -0.79 1.13 3.57 -1.13 -1.02 116.94 118.04 3hs6 h PHE 329 Ca 0.02 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 3hs6 h PHE 329 Cb 0.17 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 3hs6 h PHE 329 CO -0.02 -0.33 0.30 1.96 -2.23 0.00 0.00 178.31 178.00 3hs6 h GLN 330 N -0.42 1.18 -0.30 1.11 1.08 -1.33 -0.99 115.11 115.44 3hs6 h GLN 330 Ca 0.03 -0.22 -0.16 0.00 -1.45 0.00 0.00 58.65 56.85 3hs6 h GLN 330 Cb 0.45 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 3hs6 h GLN 330 CO -0.14 0.96 -0.46 1.15 -0.95 0.00 0.00 178.83 179.40 3hs6 h THR 331 N 1.15 1.29 -0.71 -0.54 2.02 -1.13 -2.43 112.91 112.56 3hs6 h THR 331 Ca 0.26 -1.64 -0.04 0.00 0.77 0.00 0.00 66.41 65.76 3hs6 h THR 331 Cb 0.23 1.54 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 3hs6 h THR 331 CO -0.02 0.53 0.29 0.28 0.37 0.00 0.00 175.52 176.97 3hs6 h SER 332 N 0.63 0.98 -0.37 4.18 0.02 -0.73 -2.18 113.55 116.08 3hs6 h SER 332 Ca 0.04 -0.17 0.04 0.00 -0.84 0.00 0.00 61.79 60.86 3hs6 h SER 332 Cb 1.03 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 3hs6 h SER 332 CO 0.10 0.88 0.14 -0.09 -1.14 0.00 0.00 176.83 176.72 3hs6 h ARG 333 N 1.01 0.29 -0.84 3.45 2.43 -1.06 -0.57 114.38 119.09 3hs6 h ARG 333 Ca 0.24 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 3hs6 h ARG 333 Cb 0.20 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 3hs6 h ARG 333 CO -0.02 0.19 0.45 -0.07 -1.51 0.00 0.00 179.97 179.01 3hs6 h LEU 334 N 0.30 1.06 -0.50 3.80 3.38 -1.25 -1.26 115.31 120.83 3hs6 h LEU 334 Ca 0.16 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hs6 h LEU 334 Cb 0.13 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3hs6 h LEU 334 CO -0.16 0.86 0.30 0.40 0.09 0.00 0.00 178.44 179.94 3hs6 h ILE 335 N 1.18 1.15 -0.32 1.22 2.04 -0.97 -1.71 117.51 120.11 3hs6 h ILE 335 Ca 0.30 -0.34 -0.11 0.00 1.00 0.00 0.00 64.86 65.70 3hs6 h ILE 335 Cb 0.04 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3hs6 h ILE 335 CO -0.05 0.16 -0.25 -0.07 0.00 0.00 0.00 178.15 177.94 3hs6 h LEU 336 N 0.67 0.64 -0.15 1.44 4.07 -0.71 0.14 115.31 121.41 3hs6 h LEU 336 Ca 0.18 -0.23 0.04 0.00 0.08 0.00 0.00 57.88 57.96 3hs6 h LEU 336 Cb -0.01 -0.17 -0.05 0.00 1.08 0.00 0.00 40.66 41.51 3hs6 h LEU 336 CO -0.03 0.87 -0.15 0.40 -1.08 0.00 0.00 178.44 178.45 3hs6 h ILE 337 N 0.55 0.59 -0.39 1.22 2.04 -1.09 0.19 117.51 120.62 3hs6 h ILE 337 Ca 0.08 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.00 3hs6 h ILE 337 Cb 0.72 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 3hs6 h ILE 337 CO 0.06 0.00 0.06 1.23 0.00 0.00 0.00 178.15 179.49 3hs6 h GLY 338 N -0.17 0.45 0.44 5.37 0.00 -0.71 -1.72 103.07 106.72 3hs6 h GLY 338 Ca 0.10 -0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.49 3hs6 h GLY 338 CO -0.26 -0.05 0.04 0.83 0.00 0.00 0.00 176.54 177.10 3hs6 h GLU 339 N 0.18 0.14 -0.39 4.80 5.08 -0.38 -1.09 114.58 122.92 3hs6 h GLU 339 Ca 0.19 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 3hs6 h GLU 339 Cb 0.24 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3hs6 h GLU 339 CO -0.27 0.09 0.23 1.15 -1.00 0.00 0.00 179.01 179.21 3hs6 h THR 340 N 0.15 1.04 -0.47 1.13 2.02 -0.11 -0.80 112.91 115.87 3hs6 h THR 340 Ca 0.19 -0.16 -0.08 0.00 0.77 0.00 0.00 66.41 67.14 3hs6 h THR 340 Cb 0.25 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3hs6 h THR 340 CO -0.29 0.08 -0.00 0.40 0.37 0.00 0.00 175.52 176.08 3hs6 h ILE 341 N 0.46 1.26 -0.46 3.11 2.04 -1.16 -1.04 117.51 121.73 3hs6 h ILE 341 Ca 0.16 -1.06 0.04 0.00 1.00 0.00 0.00 64.86 65.00 3hs6 h ILE 341 Cb 0.01 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 3hs6 h ILE 341 CO -0.07 0.37 0.22 0.50 0.00 0.00 0.00 178.15 179.16 3hs6 h LYS 342 N 0.68 0.42 -0.30 2.37 3.11 -0.69 -1.90 116.57 120.26 3hs6 h LYS 342 Ca 0.13 -0.03 -0.09 0.00 -2.81 0.00 0.00 60.65 57.86 3hs6 h LYS 342 Cb 0.51 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.64 3hs6 h LYS 342 CO 0.02 0.28 -0.15 0.82 -2.81 0.00 0.00 179.45 177.61 3hs6 h ILE 343 N 0.44 1.29 -0.75 2.00 2.04 -1.01 -1.33 117.51 120.19 3hs6 h ILE 343 Ca 0.21 -1.25 0.02 0.00 1.00 0.00 0.00 64.86 64.84 3hs6 h ILE 343 Cb 0.13 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 3hs6 h ILE 343 CO -0.16 0.40 0.48 0.58 0.00 0.00 0.00 178.15 179.45 3hs6 h VAL 344 N 0.39 1.14 0.02 1.67 2.07 -0.99 0.41 116.25 120.97 3hs6 h VAL 344 Ca 0.07 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3hs6 h VAL 344 Cb 0.67 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3hs6 h VAL 344 CO 0.05 0.17 -0.01 0.40 0.02 0.00 0.00 177.57 178.20 3hs6 h ILE 345 N 0.96 1.49 0.00 4.57 2.04 -1.32 0.61 117.51 125.86 3hs6 h ILE 345 Ca 0.29 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.46 3hs6 h ILE 345 Cb -0.04 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 3hs6 h ILE 345 CO -0.09 0.43 -0.86 -0.33 0.00 0.00 0.00 178.15 177.29 3hs6 h GLU 346 N -0.77 0.00 0.00 2.37 5.08 -1.20 -2.61 114.58 117.45 3hs6 h GLU 346 Ca -0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3hs6 h GLU 346 Cb 0.72 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 3hs6 h GLU 346 CO 0.00 0.00 -1.34 -0.25 -1.00 0.00 0.00 179.01 176.42 3hs6 n ASP 347 N -2.45 0.93 0.01 1.42 8.00 0.02 -4.56 116.55 119.92 3hs6 n ASP 347 Ca 0.01 0.06 -0.05 0.00 0.71 0.00 0.00 54.79 55.52 3hs6 n ASP 347 Cb 0.51 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 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 -0.19 -0.14 -0.56 1.24 3.20 -1.18 -2.06 116.97 117.29 3hs6 h TYR 348 Ca -0.15 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.63 3hs6 h TYR 348 Cb 1.15 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.44 3hs6 h TYR 348 CO -0.02 0.07 0.01 0.28 -1.64 0.00 0.00 178.16 176.86 3hs6 h VAL 349 N -1.02 1.26 -0.57 1.81 2.07 0.14 -2.35 116.25 117.60 3hs6 h VAL 349 Ca -0.01 -1.10 0.11 0.00 0.82 0.00 0.00 66.70 66.52 3hs6 h VAL 349 Cb 0.26 0.87 -0.09 0.00 -1.52 0.00 0.00 31.29 30.81 3hs6 h VAL 349 CO 0.02 0.39 0.04 -0.61 0.02 0.00 0.00 177.57 177.44 3hs6 h GLN 350 N 0.86 0.16 -0.09 1.57 5.75 -1.58 0.69 115.11 122.47 3hs6 h GLN 350 Ca 0.16 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.65 3hs6 h GLN 350 Cb 0.52 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.03 3hs6 h GLN 350 CO 0.03 0.10 0.05 1.25 -2.65 0.00 0.00 178.83 177.61 3hs6 h HIS 351 N 0.16 0.12 -0.83 3.99 2.76 -1.15 -3.04 115.15 117.15 3hs6 h HIS 351 Ca 0.29 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.44 3hs6 h HIS 351 Cb 0.45 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.33 3hs6 h HIS 351 CO -0.31 0.11 0.43 -0.07 -1.30 0.00 0.00 177.93 176.79 3hs6 h LEU 352 N 0.09 1.05 -1.01 0.26 3.38 -0.86 -3.02 115.31 115.21 3hs6 h LEU 352 Ca 0.03 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3hs6 h LEU 352 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3hs6 h LEU 352 CO -0.01 0.86 -0.00 0.77 0.09 0.00 0.00 178.44 180.15 3hs6 h SER 353 N 1.17 0.68 0.00 -0.43 4.64 -0.82 -3.47 113.55 115.32 3hs6 h SER 353 Ca 0.29 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3hs6 h SER 353 Cb 0.06 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3hs6 h SER 353 CO -0.04 0.75 0.00 0.61 -0.87 0.00 0.00 176.83 177.28 3hs6 n GLY 354 N -0.70 0.36 3.76 -0.77 0.00 -1.14 -4.99 105.19 101.71 3hs6 n GLY 354 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.89 2.57 0.15 1.61 2.02 -1.26 -4.75 117.35 115.79 3hs6 s TYR 355 Ca 0.00 1.52 0.06 0.00 -0.37 0.00 0.00 57.07 58.28 3hs6 s TYR 355 Cb 0.00 -3.42 -0.09 0.00 -0.40 0.00 0.00 41.96 38.05 3hs6 s TYR 355 CO 0.00 -1.92 1.34 0.45 -1.57 0.00 0.00 175.55 173.85 3hs6 h HIS 356 N 1.25 0.07 -3.51 2.71 3.86 -1.54 -3.45 115.15 114.55 3hs6 h HIS 356 Ca -0.50 -0.05 -0.53 0.00 -1.16 0.00 0.00 60.37 58.13 3hs6 h HIS 356 Cb 1.28 -0.01 0.07 0.00 1.06 0.00 0.00 27.41 29.81 3hs6 h HIS 356 CO 0.49 0.95 0.77 0.12 0.86 0.00 0.00 177.93 181.12 3hs6 s PHE 357 N -2.93 2.92 -0.44 2.45 5.36 -1.26 -4.85 117.98 119.23 3hs6 s PHE 357 Ca -0.00 1.05 -0.23 0.00 -0.96 0.00 0.00 56.93 56.79 3hs6 s PHE 357 Cb 0.10 -3.87 0.02 0.00 -0.34 0.00 0.00 43.02 38.93 3hs6 s PHE 357 CO 0.82 -2.77 0.79 0.15 -1.46 0.00 0.00 175.22 172.75 3hs6 s LYS 358 N -0.80 3.45 0.63 10.12 1.02 -1.26 -5.05 119.74 127.85 3hs6 s LYS 358 Ca 0.58 -0.05 -0.18 0.00 0.02 0.00 0.00 55.97 56.34 3hs6 s LYS 358 Cb -0.43 -3.92 -0.02 0.00 -0.52 0.00 0.00 37.83 32.94 3hs6 s LYS 358 CO 0.48 -1.09 1.24 -0.51 -0.92 0.00 0.00 175.35 174.54 3hs6 s LEU 359 N 3.30 3.58 -0.05 3.17 1.43 -1.26 -4.98 118.68 123.87 3hs6 s LEU 359 Ca 0.30 2.47 0.02 0.00 -1.03 0.00 0.00 54.13 55.89 3hs6 s LEU 359 Cb -0.12 -4.60 0.01 0.00 0.03 0.00 0.00 46.19 41.51 3hs6 s LEU 359 CO 0.22 -1.83 -0.08 -0.75 0.23 0.00 0.00 176.35 174.14 3hs6 s LYS 360 N -3.43 1.14 -0.50 1.70 2.20 -1.26 -4.70 119.74 114.89 3hs6 s LYS 360 Ca 0.79 -0.25 -0.21 0.00 -0.36 0.00 0.00 55.97 55.94 3hs6 s LYS 360 Cb -0.33 -1.03 0.04 0.00 -1.51 0.00 0.00 37.83 35.00 3hs6 s LYS 360 CO 0.37 0.00 0.73 0.12 -0.36 0.00 0.00 175.35 176.21 3hs6 s PHE 361 N 0.66 2.98 -0.32 4.03 5.36 -1.26 -4.98 117.98 124.45 3hs6 s PHE 361 Ca -0.11 -0.22 0.04 0.00 -0.96 0.00 0.00 56.93 55.68 3hs6 s PHE 361 Cb -0.14 -3.64 0.17 0.00 -0.34 0.00 0.00 43.02 39.07 3hs6 s PHE 361 CO 0.01 -1.07 0.47 0.34 -1.46 0.00 0.00 175.22 173.52 3hs6 s ASP 362 N 2.51 -0.21 0.56 6.13 2.15 -1.26 -5.04 116.67 121.51 3hs6 s ASP 362 Ca 0.22 -0.46 0.26 0.00 0.43 0.00 0.00 52.55 53.01 3hs6 s ASP 362 Cb -0.16 1.36 1.51 0.00 -0.30 0.00 0.00 42.92 45.33 3hs6 s ASP 362 CO 0.17 -0.31 2.05 -0.65 -0.17 0.00 0.00 175.17 176.25 3hs6 h PRO 363 N 7.84 0.00 -0.09 4.34 0.11 -1.93 -2.55 132.00 139.72 3hs6 h PRO 363 Ca -0.03 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.10 3hs6 h PRO 363 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hs6 h PRO 363 CO 0.21 0.00 0.10 0.93 -0.21 0.00 0.00 178.00 179.03 3hs6 h GLU 364 N 0.00 0.00 0.00 1.05 5.08 -1.96 -2.75 114.58 116.00 3hs6 h GLU 364 Ca 0.15 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3hs6 h GLU 364 Cb 0.70 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 3hs6 h GLU 364 CO -0.00 0.00 -0.11 -0.07 -1.00 0.00 0.00 179.01 177.83 3hs6 h LEU 365 N 0.00 0.00 -0.52 1.33 3.38 -1.87 -2.11 115.31 115.52 3hs6 h LEU 365 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hs6 h LEU 365 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3hs6 h LEU 365 CO -0.00 0.11 -0.54 0.18 0.09 0.00 0.00 178.44 178.28 3hs6 n LEU 366 N -3.51 1.35 0.28 1.67 4.77 -1.04 -4.57 117.00 115.94 3hs6 n LEU 366 Ca -0.01 -0.48 0.11 0.00 -0.03 0.00 0.00 56.01 55.60 3hs6 n LEU 366 Cb 0.26 -0.06 0.77 0.00 -2.33 0.00 0.00 43.42 42.05 3hs6 n LEU 366 CO 0.29 0.27 1.09 -0.26 -1.33 0.00 0.00 177.39 177.46 3hs6 h PHE 367 N 1.26 0.00 -0.35 -1.77 0.04 -1.47 0.80 116.94 115.45 3hs6 h PHE 367 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3hs6 h PHE 367 Cb 0.60 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.75 3hs6 h PHE 367 CO 0.00 0.00 0.00 0.27 -0.60 0.00 0.00 178.31 177.98 3hs6 n ASN 368 N -4.20 4.19 -4.91 2.17 6.94 -1.26 -5.00 115.26 113.19 3hs6 n ASN 368 Ca -0.03 -2.86 -0.23 0.00 -0.02 0.00 0.00 54.58 51.44 3hs6 n ASN 368 Cb 0.09 -0.54 -0.01 0.00 -2.36 0.00 0.00 39.78 36.96 3hs6 n ASN 368 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3hs6 s GLN 369 N -2.56 2.39 -0.49 -3.83 -1.52 0.27 -5.09 119.66 108.84 3hs6 s GLN 369 Ca 0.43 -1.73 -0.16 0.00 -1.95 0.00 0.00 55.36 51.95 3hs6 s GLN 369 Cb 0.33 -2.31 0.08 0.00 -0.22 0.00 0.00 33.01 30.89 3hs6 s GLN 369 CO 0.12 -0.45 0.44 -0.65 -0.25 0.00 0.00 175.29 174.50 3hs6 s GLN 370 N -4.27 2.99 -0.04 2.91 -0.21 -1.26 -5.04 119.66 114.75 3hs6 s GLN 370 Ca 0.45 -1.37 -0.03 0.00 0.02 0.00 0.00 55.36 54.42 3hs6 s GLN 370 Cb -0.03 -4.16 0.02 0.00 1.00 0.00 0.00 33.01 29.83 3hs6 s GLN 370 CO 0.27 -1.10 0.10 0.12 -2.12 0.00 0.00 175.29 172.56 3hs6 s PHE 371 N 1.73 -0.11 -0.29 0.91 5.36 -1.26 -5.07 117.98 119.25 3hs6 s PHE 371 Ca 0.05 0.30 -0.15 0.00 -0.96 0.00 0.00 56.93 56.17 3hs6 s PHE 371 Cb -0.25 0.00 -0.03 0.00 -0.34 0.00 0.00 43.02 42.40 3hs6 s PHE 371 CO 0.06 -0.07 0.38 -0.65 -1.46 0.00 0.00 175.22 173.48 3hs6 s GLN 372 N 0.30 3.90 -1.40 10.12 -1.52 -1.26 -4.99 119.66 124.80 3hs6 s GLN 372 Ca -0.02 -0.07 -0.13 0.00 -1.95 0.00 0.00 55.36 53.19 3hs6 s GLN 372 Cb -0.03 -3.70 0.08 0.00 -0.22 0.00 0.00 33.01 29.14 3hs6 s GLN 372 CO -0.01 -0.35 2.12 0.66 -0.25 0.00 0.00 175.29 177.45 3hs6 n TYR 373 N 5.37 3.37 -3.58 0.91 4.01 -1.26 -4.70 117.16 121.28 3hs6 n TYR 373 Ca -0.08 -2.92 -0.11 0.00 -0.16 0.00 0.00 57.90 54.63 3hs6 n TYR 373 Cb 0.50 -2.37 -0.03 0.00 -0.31 0.00 0.00 39.34 37.13 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 2.35 1.25 0.00 -0.72 -2.07 -1.05 -4.76 119.66 114.66 3hs6 s GLN 374 Ca 0.45 -0.66 -0.16 0.00 -1.82 0.00 0.00 55.36 53.17 3hs6 s GLN 374 Cb 0.13 0.53 0.03 0.00 -1.09 0.00 0.00 33.01 32.61 3hs6 s GLN 374 CO -0.06 -0.53 0.35 1.21 -1.32 0.00 0.00 175.29 174.94 3hs6 s ASN 375 N -2.80 -0.22 -0.03 12.60 2.47 -1.26 -4.73 114.94 120.96 3hs6 s ASN 375 Ca 0.04 0.07 -0.01 0.00 0.42 0.00 0.00 52.86 53.38 3hs6 s ASN 375 Cb -0.00 0.35 0.03 0.00 -1.45 0.00 0.00 41.25 40.18 3hs6 s ASN 375 CO -0.10 -0.52 0.04 -0.60 -3.72 0.00 0.00 177.10 172.20 3hs6 s ARG 376 N -1.71 -0.01 -0.00 0.43 6.06 -1.26 -4.84 118.95 117.61 3hs6 s ARG 376 Ca -0.11 0.25 -0.30 0.00 -2.50 0.00 0.00 55.73 53.07 3hs6 s ARG 376 Cb -0.03 -0.38 -0.05 0.00 0.06 0.00 0.00 34.95 34.55 3hs6 s ARG 376 CO 0.02 -0.23 1.39 0.42 -2.50 0.00 0.00 175.30 174.41 3hs6 s ILE 377 N 1.48 3.73 0.12 4.11 -1.09 -1.26 -4.78 121.20 123.51 3hs6 s ILE 377 Ca -0.04 1.12 -0.26 0.00 -2.23 0.00 0.00 60.65 59.23 3hs6 s ILE 377 Cb -0.13 -3.72 -0.07 0.00 -1.58 0.00 0.00 42.46 36.97 3hs6 s ILE 377 CO -0.03 -0.00 0.82 0.00 -1.23 0.00 0.00 174.94 174.50 3hs6 s ALA 378 N 2.38 3.38 0.23 9.38 0.00 -1.26 -0.75 121.76 135.12 3hs6 s ALA 378 Ca 0.63 0.40 -0.07 0.00 0.00 0.00 0.00 51.96 52.93 3hs6 s ALA 378 Cb -0.31 -3.05 0.39 0.00 0.00 0.00 0.00 23.12 20.15 3hs6 s ALA 378 CO 0.26 0.16 1.70 1.03 0.00 0.00 0.00 175.76 178.91 3hs6 h SER 379 N 4.96 0.07 0.24 0.00 0.87 -0.90 -1.75 113.55 117.04 3hs6 h SER 379 Ca -0.45 0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.21 3hs6 h SER 379 Cb 1.21 0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.32 3hs6 h SER 379 CO 0.69 0.02 -0.09 -0.33 -0.53 0.00 0.00 176.83 176.58 3hs6 h GLU 380 N 0.31 0.00 -0.08 2.24 3.07 -1.93 -0.99 114.58 117.20 3hs6 h GLU 380 Ca 0.37 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.20 3hs6 h GLU 380 Cb 0.59 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.50 3hs6 h GLU 380 CO -0.44 0.09 -0.08 0.35 -1.40 0.00 0.00 179.01 177.54 3hs6 h PHE 381 N 0.00 0.22 -0.65 4.33 3.57 -1.71 -1.95 116.94 120.75 3hs6 h PHE 381 Ca -0.00 -0.07 0.13 0.00 3.53 0.00 0.00 57.97 61.57 3hs6 h PHE 381 Cb 0.24 -0.05 -0.10 0.00 2.79 0.00 0.00 35.95 38.83 3hs6 h PHE 381 CO 0.00 0.63 0.09 -0.97 -2.23 0.00 0.00 178.31 175.82 3hs6 h ASN 382 N -0.25 -0.12 -0.21 0.41 -0.73 -0.99 -2.64 115.58 111.05 3hs6 h ASN 382 Ca 0.01 0.14 -0.03 0.00 1.87 0.00 0.00 56.30 58.30 3hs6 h ASN 382 Cb 0.59 0.22 -0.01 0.00 0.27 0.00 0.00 38.32 39.39 3hs6 h ASN 382 CO 0.02 -0.06 0.03 0.74 -0.37 0.00 0.00 177.43 177.79 3hs6 h THR 383 N 0.20 1.23 0.00 -3.57 2.02 -1.09 -2.87 112.91 108.83 3hs6 h THR 383 Ca 0.35 -0.77 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 3hs6 h THR 383 Cb 0.57 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.31 3hs6 h THR 383 CO -0.49 0.24 -0.01 0.17 0.37 0.00 0.00 175.52 175.80 3hs6 h LEU 384 N 0.14 0.00 -1.27 2.58 8.10 -1.22 -2.61 115.31 121.04 3hs6 h LEU 384 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.05 3hs6 h LEU 384 Cb 0.33 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.55 3hs6 h LEU 384 CO 0.01 0.01 0.00 0.00 -4.11 0.00 0.00 178.44 174.34 3hs6 n TYR 385 N -3.11 0.48 -1.95 0.17 4.19 -1.01 -4.57 117.16 111.36 3hs6 n TYR 385 Ca -0.00 -0.22 -0.42 0.00 3.31 0.00 0.00 57.90 60.56 3hs6 n TYR 385 Cb 0.25 -0.04 0.00 0.00 0.49 0.00 0.00 39.34 40.05 3hs6 n TYR 385 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 3hs6 n HIS 386 N 0.39 3.52 -1.27 2.98 8.25 -0.98 -4.79 115.22 123.32 3hs6 n HIS 386 Ca 0.11 -2.94 -0.23 0.00 -0.26 0.00 0.00 57.72 54.40 3hs6 n HIS 386 Cb 0.31 -2.43 -0.03 0.00 1.12 0.00 0.00 29.99 28.97 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 5.78 1.50 -0.30 4.41 8.01 -1.26 -4.66 117.44 130.91 3hs6 n TRP 387 Ca 0.49 -1.93 0.22 0.00 -1.31 0.00 0.00 57.50 54.96 3hs6 n TRP 387 Cb 0.39 -1.26 0.52 0.00 -2.01 0.00 0.00 31.31 28.95 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 2.49 0.59 0.00 -5.99 3.86 -1.97 -1.39 115.15 112.75 3hs6 h HIS 388 Ca 0.35 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 3hs6 h HIS 388 Cb 0.83 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.12 3hs6 h HIS 388 CO 1.27 0.09 0.00 -1.35 0.86 0.00 0.00 177.93 178.80 3hs6 h PRO 389 N 0.39 0.00 -0.72 2.45 0.11 -1.83 -2.18 132.00 130.22 3hs6 h PRO 389 Ca 0.55 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.74 3hs6 h PRO 389 Cb 1.41 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.47 3hs6 h PRO 389 CO -0.24 0.00 0.47 -0.07 -0.21 0.00 0.00 178.00 177.95 3hs6 h LEU 390 N 0.00 0.61 -9.82 2.35 3.38 -1.38 -3.27 115.31 107.18 3hs6 h LEU 390 Ca 0.00 0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.45 3hs6 h LEU 390 Cb 0.10 -0.12 0.07 0.00 0.09 0.00 0.00 40.66 40.80 3hs6 h LEU 390 CO 0.00 0.38 0.78 -0.76 0.09 0.00 0.00 178.44 178.92 3hs6 s LEU 391 N -9.65 4.37 0.00 1.67 1.43 -0.82 -0.81 118.68 114.87 3hs6 s LEU 391 Ca -0.09 2.81 -0.09 0.00 -1.03 0.00 0.00 54.13 55.73 3hs6 s LEU 391 Cb 0.20 -3.64 0.19 0.00 0.03 0.00 0.00 46.19 42.96 3hs6 s LEU 391 CO 0.77 -0.76 1.16 -0.81 0.23 0.00 0.00 176.35 176.94 3hs6 n PRO 392 N 1.72 -0.77 0.09 1.29 -0.04 -1.26 -4.58 135.00 131.44 3hs6 n PRO 392 Ca 0.05 -2.28 -0.16 0.00 -0.04 0.00 0.00 63.50 61.07 3hs6 n PRO 392 Cb 0.40 -1.04 -0.14 0.00 -0.04 0.00 0.00 33.50 32.67 3hs6 n PRO 392 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3hs6 h ASP 393 N -1.23 0.42 -4.36 3.54 3.32 -1.96 -3.47 116.42 112.67 3hs6 h ASP 393 Ca -0.38 -0.47 -0.28 0.00 0.02 0.00 0.00 57.03 55.92 3hs6 h ASP 393 Cb 1.17 -0.14 -0.16 0.00 0.22 0.00 0.00 39.33 40.43 3hs6 h ASP 393 CO 0.32 1.38 -0.71 0.42 -1.72 0.00 0.00 179.24 178.92 3hs6 s THR 394 N -2.65 0.89 -0.38 0.35 -4.23 -1.26 -4.44 115.64 103.93 3hs6 s THR 394 Ca -0.05 -1.87 -0.09 0.00 -1.18 0.00 0.00 61.69 58.50 3hs6 s THR 394 Cb 0.07 -1.61 0.05 0.00 1.34 0.00 0.00 72.50 72.35 3hs6 s THR 394 CO 0.88 -0.74 0.20 -0.36 -0.54 0.00 0.00 174.62 174.05 3hs6 s PHE 395 N -3.15 3.30 -0.52 3.99 0.08 0.14 -4.90 117.98 116.92 3hs6 s PHE 395 Ca 0.11 -1.38 -0.19 0.00 0.12 0.00 0.00 56.93 55.59 3hs6 s PHE 395 Cb 0.02 -2.62 0.06 0.00 -0.57 0.00 0.00 43.02 39.91 3hs6 s PHE 395 CO -0.02 -0.77 0.63 -0.80 -0.10 0.00 0.00 175.22 174.16 3hs6 s ASN 396 N 1.75 6.22 -0.14 1.36 0.01 -1.26 -1.47 114.94 121.41 3hs6 s ASN 396 Ca 0.01 -1.00 0.02 0.00 -0.71 0.00 0.00 52.86 51.18 3hs6 s ASN 396 Cb -0.21 -2.29 0.01 0.00 0.41 0.00 0.00 41.25 39.18 3hs6 s ASN 396 CO 0.03 -0.91 -0.19 -0.63 -1.51 0.00 0.00 177.10 173.89 3hs6 s ILE 397 N 2.59 1.84 0.00 0.60 1.01 -0.79 -4.64 121.20 121.81 3hs6 s ILE 397 Ca 0.14 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.95 3hs6 s ILE 397 Cb -0.20 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.61 3hs6 s ILE 397 CO 0.11 0.51 0.00 1.21 0.00 0.00 0.00 174.94 176.77 3hs6 n GLU 398 N 4.26 0.00 0.00 2.79 2.13 -1.26 -0.71 120.64 127.85 3hs6 n GLU 398 Ca -0.19 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.70 3hs6 n GLU 398 Cb 0.51 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.28 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 9.71 2.19 -4.87 4.31 3.85 -1.26 -5.00 116.55 125.48 3hs6 n ASP 399 Ca 0.00 -1.59 -0.31 0.00 -0.71 0.00 0.00 54.79 52.18 3hs6 n ASP 399 Cb 0.00 0.01 -0.04 0.00 -1.35 0.00 0.00 41.12 39.74 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 -1.22 3.82 -0.35 0.11 -1.52 0.12 -5.07 119.66 115.55 3hs6 s GLN 400 Ca 0.17 0.40 0.01 0.00 -1.95 0.00 0.00 55.36 53.98 3hs6 s GLN 400 Cb 0.12 -2.50 0.11 0.00 -0.22 0.00 0.00 33.01 30.52 3hs6 s GLN 400 CO 0.18 0.14 0.13 -1.21 -0.25 0.00 0.00 175.29 174.29 3hs6 s GLU 401 N -3.33 0.96 -0.02 2.91 2.02 -1.26 -1.89 118.70 118.09 3hs6 s GLU 401 Ca 0.50 -1.42 -0.25 0.00 0.02 0.00 0.00 54.97 53.81 3hs6 s GLU 401 Cb -0.11 -2.22 -0.04 0.00 0.10 0.00 0.00 34.13 31.87 3hs6 s GLU 401 CO 0.25 -1.03 0.77 0.71 0.02 0.00 0.00 175.26 175.98 3hs6 s TYR 402 N 1.18 3.64 0.81 1.61 2.02 -0.54 -4.81 117.35 121.26 3hs6 s TYR 402 Ca 0.12 1.40 -0.12 0.00 -0.37 0.00 0.00 57.07 58.10 3hs6 s TYR 402 Cb -0.20 -2.86 0.08 0.00 -0.40 0.00 0.00 41.96 38.58 3hs6 s TYR 402 CO -0.16 0.13 1.12 -1.54 -1.57 0.00 0.00 175.55 173.54 3hs6 s SER 403 N 0.55 4.45 0.19 2.29 1.04 -1.26 0.26 113.70 121.22 3hs6 s SER 403 Ca 0.40 1.09 -0.11 0.00 0.48 0.00 0.00 55.95 57.81 3hs6 s SER 403 Cb -0.19 -1.75 0.22 0.00 0.10 0.00 0.00 66.02 64.40 3hs6 s SER 403 CO 0.21 -1.97 1.74 -0.26 0.98 0.00 0.00 173.24 173.94 3hs6 h PHE 404 N -1.09 0.33 -0.32 5.02 -1.00 -1.96 -0.78 116.94 117.13 3hs6 h PHE 404 Ca -0.47 0.03 0.05 0.00 2.81 0.00 0.00 57.97 60.38 3hs6 h PHE 404 Cb 1.29 -0.06 -0.04 0.00 3.61 0.00 0.00 35.95 40.75 3hs6 h PHE 404 CO 0.40 0.09 0.07 0.87 -1.61 0.00 0.00 178.31 178.13 3hs6 h LYS 405 N 0.36 0.18 0.00 1.51 1.57 -1.95 -0.92 116.57 117.32 3hs6 h LYS 405 Ca 0.27 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3hs6 h LYS 405 Cb 0.32 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3hs6 h LYS 405 CO -0.28 0.12 -0.02 -0.56 -0.57 0.00 0.00 179.45 178.14 3hs6 h GLN 406 N 0.18 0.00 0.01 3.15 3.07 -1.88 -3.26 115.11 116.38 3hs6 h GLN 406 Ca 0.15 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.63 3hs6 h GLN 406 Cb 0.16 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.68 3hs6 h GLN 406 CO -0.19 0.00 -1.37 0.35 0.09 0.00 0.00 178.83 177.70 3hs6 h PHE 407 N 0.00 0.05 -3.94 0.06 3.57 -0.76 -3.42 116.94 112.50 3hs6 h PHE 407 Ca 0.00 -0.03 -0.53 0.00 3.53 0.00 0.00 57.97 60.94 3hs6 h PHE 407 Cb 0.94 -0.00 0.09 0.00 2.79 0.00 0.00 35.95 39.76 3hs6 h PHE 407 CO 0.00 1.04 0.65 -0.51 -2.23 0.00 0.00 178.31 177.26 3hs6 s LEU 408 N -6.46 4.26 0.00 0.59 1.02 -0.39 -3.34 118.68 114.37 3hs6 s LEU 408 Ca -0.03 2.74 0.00 0.00 0.02 0.00 0.00 54.13 56.87 3hs6 s LEU 408 Cb 0.09 -3.82 0.00 0.00 0.02 0.00 0.00 46.19 42.48 3hs6 s LEU 408 CO 0.82 -0.82 0.00 -1.22 0.02 0.00 0.00 176.35 175.15 3hs6 n TYR 409 N 0.28 0.00 -3.35 0.29 4.01 0.12 -4.87 117.16 113.65 3hs6 n TYR 409 Ca 0.03 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.31 3hs6 n TYR 409 Cb 0.42 -1.24 -0.01 0.00 -0.31 0.00 0.00 39.34 38.20 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 -1.04 7.06 0.27 7.72 3.84 -1.21 -4.85 114.94 126.72 3hs6 s ASN 410 Ca 0.00 -3.24 0.25 0.00 0.21 0.00 0.00 52.86 50.08 3hs6 s ASN 410 Cb 0.00 -2.20 0.91 0.00 -0.55 0.00 0.00 41.25 39.41 3hs6 s ASN 410 CO 0.00 -0.40 1.75 0.78 -2.79 0.00 0.00 177.10 176.45 3hs6 h ASN 411 N 7.08 0.00 0.06 -4.21 2.35 -1.88 -3.09 115.58 115.88 3hs6 h ASN 411 Ca 0.15 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3hs6 h ASN 411 Cb 0.94 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.30 3hs6 h ASN 411 CO 0.90 0.00 -0.07 0.77 -1.65 0.00 0.00 177.43 177.38 3hs6 h SER 412 N 0.00 0.05 -0.87 5.81 4.64 -1.95 -1.38 113.55 119.85 3hs6 h SER 412 Ca 0.00 -0.01 0.04 0.00 -0.47 0.00 0.00 61.79 61.35 3hs6 h SER 412 Cb 0.56 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.58 3hs6 h SER 412 CO 0.00 0.14 0.56 0.40 -0.87 0.00 0.00 176.83 177.06 3hs6 h ILE 413 N 0.05 1.12 -0.45 0.95 2.04 -1.94 0.40 117.51 119.69 3hs6 h ILE 413 Ca 0.01 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 3hs6 h ILE 413 Cb 0.17 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 3hs6 h ILE 413 CO 0.01 0.20 0.03 0.25 0.00 0.00 0.00 178.15 178.63 3hs6 h LEU 414 N 1.07 0.76 -0.23 1.44 5.85 -1.45 -2.19 115.31 120.55 3hs6 h LEU 414 Ca 0.36 -0.29 -0.21 0.00 0.84 0.00 0.00 57.88 58.57 3hs6 h LEU 414 Cb 0.04 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 3hs6 h LEU 414 CO -0.13 0.86 -0.89 -0.07 -0.34 0.00 0.00 178.44 177.87 3hs6 h LEU 415 N 0.63 0.49 -0.10 2.25 4.07 -1.11 0.30 115.31 121.84 3hs6 h LEU 415 Ca 0.13 -0.38 -0.01 0.00 0.08 0.00 0.00 57.88 57.71 3hs6 h LEU 415 Cb 0.45 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.04 3hs6 h LEU 415 CO 0.02 1.17 0.03 -0.08 -1.08 0.00 0.00 178.44 178.50 3hs6 h GLU 416 N 0.23 0.16 0.12 1.13 4.81 -0.21 -3.29 114.58 117.52 3hs6 h GLU 416 Ca -0.06 -0.03 -0.30 0.00 -0.13 0.00 0.00 59.36 58.83 3hs6 h GLU 416 Cb 1.51 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.86 3hs6 h GLU 416 CO 0.15 0.30 -1.50 0.45 -0.73 0.00 0.00 179.01 177.68 3hs6 h HIS 417 N -0.01 0.44 0.00 0.92 3.86 -1.46 -3.51 115.15 115.39 3hs6 h HIS 417 Ca 0.03 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 3hs6 h HIS 417 Cb 0.21 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.66 3hs6 h HIS 417 CO -0.01 1.36 0.00 0.41 0.86 0.00 0.00 177.93 180.56 3hs6 n GLY 418 N 1.65 -0.51 0.35 2.45 0.00 0.11 -4.25 105.19 104.98 3hs6 n GLY 418 Ca -0.15 -1.57 0.04 0.00 0.00 0.00 0.00 46.02 44.34 3hs6 n GLY 418 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hs6 h LEU 419 N 0.00 0.73 -0.12 0.99 5.85 -1.94 -1.76 115.31 119.06 3hs6 h LEU 419 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3hs6 h LEU 419 Cb 0.00 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3hs6 h LEU 419 CO 0.00 0.49 0.05 0.74 -0.34 0.00 0.00 178.44 179.39 3hs6 h THR 420 N 0.84 1.14 -0.10 1.05 2.02 -1.85 -1.36 112.91 114.65 3hs6 h THR 420 Ca 0.29 -0.42 -0.12 0.00 0.77 0.00 0.00 66.41 66.93 3hs6 h THR 420 Cb 0.11 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3hs6 h THR 420 CO -0.09 0.13 -0.49 -0.61 0.37 0.00 0.00 175.52 174.83 3hs6 h GLN 421 N 0.05 0.26 -0.18 6.66 5.75 -1.69 -2.05 115.11 123.91 3hs6 h GLN 421 Ca 0.04 -0.14 0.02 0.00 -0.15 0.00 0.00 58.65 58.42 3hs6 h GLN 421 Cb 0.15 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 3hs6 h GLN 421 CO -0.00 0.69 0.03 0.74 -2.65 0.00 0.00 178.83 177.63 3hs6 h PHE 422 N 0.21 0.04 -0.00 3.99 -1.00 -1.12 -0.65 116.94 118.41 3hs6 h PHE 422 Ca 0.01 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3hs6 h PHE 422 Cb 0.94 0.01 -0.00 0.00 3.61 0.00 0.00 35.95 40.51 3hs6 h PHE 422 CO 0.02 0.01 0.00 0.28 -1.61 0.00 0.00 178.31 177.01 3hs6 h VAL 423 N 0.09 1.02 -0.92 -0.55 2.07 -1.10 -0.51 116.25 116.35 3hs6 h VAL 423 Ca 0.08 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 3hs6 h VAL 423 Cb 0.08 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 3hs6 h VAL 423 CO -0.12 0.01 0.56 -0.33 0.02 0.00 0.00 177.57 177.72 3hs6 h GLU 424 N -0.02 1.25 -0.08 1.57 5.08 -1.30 -0.93 114.58 120.16 3hs6 h GLU 424 Ca 0.00 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3hs6 h GLU 424 Cb 0.02 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.00 3hs6 h GLU 424 CO -0.00 0.87 -0.07 0.77 -1.00 0.00 0.00 179.01 179.58 3hs6 h SER 425 N 1.27 0.20 0.63 1.42 0.02 -1.01 -3.23 113.55 112.84 3hs6 h SER 425 Ca 0.33 -0.47 -0.07 0.00 -0.84 0.00 0.00 61.79 60.74 3hs6 h SER 425 Cb -0.06 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3hs6 h SER 425 CO -0.06 0.63 -0.35 -0.26 -1.14 0.00 0.00 176.83 175.65 3hs6 h PHE 426 N -0.23 0.00 0.00 3.45 0.04 -0.94 -1.85 116.94 117.41 3hs6 h PHE 426 Ca 0.01 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 3hs6 h PHE 426 Cb 0.57 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 3hs6 h PHE 426 CO 0.09 0.35 -0.28 1.15 -0.60 0.00 0.00 178.31 179.01 3hs6 h THR 427 N 0.00 0.99 0.00 -1.55 2.02 -1.24 -1.90 112.91 111.23 3hs6 h THR 427 Ca -0.00 -1.05 -0.17 0.00 0.77 0.00 0.00 66.41 65.96 3hs6 h THR 427 Cb 0.76 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 3hs6 h THR 427 CO 0.05 0.28 -1.47 0.54 0.37 0.00 0.00 175.52 175.29 3hs6 n ARG 428 N -3.89 0.62 -2.81 6.66 1.74 -0.75 -4.12 116.66 114.12 3hs6 n ARG 428 Ca -0.02 0.20 -0.42 0.00 -0.77 0.00 0.00 57.85 56.84 3hs6 n ARG 428 Cb 0.36 -1.79 -0.03 0.00 -1.02 0.00 0.00 32.46 29.98 3hs6 n ARG 428 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3hs6 s GLN 429 N -2.93 4.15 0.35 5.56 0.74 -0.90 -4.88 119.66 121.74 3hs6 s GLN 429 Ca -0.03 1.01 -0.27 0.00 0.05 0.00 0.00 55.36 56.11 3hs6 s GLN 429 Cb 0.09 -3.67 -0.09 0.00 1.10 0.00 0.00 33.01 30.43 3hs6 s GLN 429 CO 0.81 -0.63 1.21 -1.50 -0.55 0.00 0.00 175.29 174.64 3hs6 s ILE 430 N 3.06 3.03 0.59 -2.34 2.07 -1.26 -1.28 121.20 125.08 3hs6 s ILE 430 Ca 0.38 0.97 -0.00 0.00 -1.41 0.00 0.00 60.65 60.59 3hs6 s ILE 430 Cb -0.15 -3.59 0.04 0.00 0.13 0.00 0.00 42.46 38.89 3hs6 s ILE 430 CO 0.09 0.18 0.84 0.00 -1.91 0.00 0.00 174.94 174.14 3hs6 s ALA 431 N -1.25 3.73 0.47 1.50 0.00 0.23 -4.77 121.76 121.68 3hs6 s ALA 431 Ca 0.51 -1.26 -0.05 0.00 0.00 0.00 0.00 51.96 51.16 3hs6 s ALA 431 Cb -0.35 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 3hs6 s ALA 431 CO 0.45 -0.90 0.77 0.20 0.00 0.00 0.00 175.76 176.28 3hs6 s GLY 432 N -4.46 1.52 0.36 0.00 0.00 0.01 -1.06 107.32 103.69 3hs6 s GLY 432 Ca 0.58 -0.50 -0.26 0.00 0.00 0.00 0.00 44.72 44.54 3hs6 s GLY 432 CO 0.40 -0.34 1.13 -1.60 0.00 0.00 0.00 173.10 172.69 3hs6 s ARG 433 N -4.65 4.27 -0.18 2.90 3.52 -0.12 -4.03 118.95 120.66 3hs6 s ARG 433 Ca 0.47 1.78 -0.14 0.00 -0.13 0.00 0.00 55.73 57.70 3hs6 s ARG 433 Cb -0.10 -2.82 -0.08 0.00 -1.56 0.00 0.00 34.95 30.39 3hs6 s ARG 433 CO 0.43 -0.12 -0.18 0.28 -0.81 0.00 0.00 175.30 174.90 3hs6 n VAL 434 N 0.41 1.47 -1.45 7.11 0.31 -1.19 -4.55 118.33 120.44 3hs6 n VAL 434 Ca 0.03 0.08 -0.29 0.00 -0.01 0.00 0.00 64.34 64.15 3hs6 n VAL 434 Cb 0.46 -2.26 0.16 0.00 -0.91 0.00 0.00 33.84 31.29 3hs6 n VAL 434 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hs6 s ALA 435 N -2.69 1.52 0.00 3.52 0.00 -0.40 -4.50 121.76 119.21 3hs6 s ALA 435 Ca -0.24 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3hs6 s ALA 435 Cb 0.05 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.16 3hs6 s ALA 435 CO 0.38 -2.55 0.00 0.41 0.00 0.00 0.00 175.76 174.00 3hs6 n GLY 436 N -1.99 0.50 0.00 0.00 0.00 -0.27 -4.89 105.19 98.54 3hs6 n GLY 436 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.10 4.05 -0.02 0.00 0.12 -4.89 105.19 102.55 3hs6 n GLY 437 Ca 0.00 -1.70 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 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 0.24 -1.14 -0.44 1.61 1.74 0.26 -4.87 116.66 114.06 3hs6 n ARG 438 Ca 0.00 0.21 0.01 0.00 -0.77 0.00 0.00 57.85 57.30 3hs6 n ARG 438 Cb 0.00 -3.44 0.02 0.00 -1.02 0.00 0.00 32.46 28.02 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 -2.58 0.31 -4.61 0.55 5.15 -0.48 -3.88 115.26 109.71 3hs6 n ASN 439 Ca -0.20 -2.13 -0.41 0.00 -0.60 0.00 0.00 54.58 51.24 3hs6 n ASN 439 Cb 0.62 -0.23 -0.06 0.00 -0.53 0.00 0.00 39.78 39.59 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 -0.37 4.92 0.25 3.44 1.01 -0.18 -4.25 120.40 125.22 3hs6 s VAL 440 Ca 0.04 0.96 -0.31 0.00 0.00 0.00 0.00 61.98 62.67 3hs6 s VAL 440 Cb 0.04 -4.01 -0.13 0.00 0.00 0.00 0.00 36.38 32.28 3hs6 s VAL 440 CO 0.00 -0.13 1.42 -2.65 0.00 0.00 0.00 175.10 173.74 3hs6 n PRO 441 N 5.90 2.10 0.28 2.72 -0.02 -1.26 -0.76 135.00 143.96 3hs6 n PRO 441 Ca -0.00 0.75 0.15 0.00 -2.02 0.00 0.00 63.50 62.38 3hs6 n PRO 441 Cb 0.49 -2.41 0.81 0.00 -0.02 0.00 0.00 33.50 32.36 3hs6 n PRO 441 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3hs6 h ILE 442 N 3.04 0.35 0.00 4.25 2.10 -1.95 -2.10 117.51 123.19 3hs6 h ILE 442 Ca -0.45 -0.44 -0.01 0.00 1.08 0.00 0.00 64.86 65.03 3hs6 h ILE 442 Cb 1.27 1.32 -0.00 0.00 -1.09 0.00 0.00 36.82 38.32 3hs6 h ILE 442 CO 0.75 0.07 -0.06 0.00 -1.08 0.00 0.00 178.15 177.83 3hs6 h ALA 443 N 1.92 1.76 -0.44 0.18 0.00 -1.99 -2.30 119.26 118.40 3hs6 h ALA 443 Ca -0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 3hs6 h ALA 443 Cb 0.31 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 3hs6 h ALA 443 CO 0.01 0.08 0.07 1.33 0.00 0.00 0.00 179.25 180.74 3hs6 n VAL 444 N -4.27 2.58 -0.04 0.00 0.24 -0.79 -4.70 118.33 111.35 3hs6 n VAL 444 Ca -0.03 -2.14 0.10 0.00 -2.04 0.00 0.00 64.34 60.23 3hs6 n VAL 444 Cb 0.15 -0.31 0.49 0.00 -1.47 0.00 0.00 33.84 32.69 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 1.65 0.41 -0.44 7.34 3.07 -1.41 -2.42 115.11 123.30 3hs6 h GLN 445 Ca 0.18 -0.02 -0.13 0.00 0.09 0.00 0.00 58.65 58.76 3hs6 h GLN 445 Cb 1.80 -0.09 -0.01 0.00 0.08 0.00 0.00 27.48 29.26 3hs6 h GLN 445 CO 0.45 0.27 -0.23 0.00 0.09 0.00 0.00 178.83 179.41 3hs6 h ALA 446 N 1.73 0.77 -0.49 0.06 0.00 -1.84 -1.77 119.26 117.72 3hs6 h ALA 446 Ca 0.22 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3hs6 h ALA 446 Cb 0.35 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3hs6 h ALA 446 CO -0.06 0.66 0.10 0.28 0.00 0.00 0.00 179.25 180.23 3hs6 h VAL 447 N 0.77 1.25 -0.54 0.00 2.07 -1.81 -1.63 116.25 116.35 3hs6 h VAL 447 Ca 0.10 -0.89 -0.11 0.00 0.82 0.00 0.00 66.70 66.62 3hs6 h VAL 447 Cb 0.78 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3hs6 h VAL 447 CO 0.06 0.32 -0.09 0.00 0.02 0.00 0.00 177.57 177.88 3hs6 h ALA 448 N 0.98 0.74 -0.76 1.67 0.00 -1.40 -1.38 119.26 119.11 3hs6 h ALA 448 Ca 0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3hs6 h ALA 448 Cb 0.37 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3hs6 h ALA 448 CO 0.01 0.65 0.37 -0.22 0.00 0.00 0.00 179.25 180.05 3hs6 h LYS 449 N 0.90 1.10 -0.75 0.00 3.64 -1.27 -2.59 116.57 117.60 3hs6 h LYS 449 Ca 0.14 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3hs6 h LYS 449 Cb 0.66 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 3hs6 h LYS 449 CO 0.05 0.85 0.44 0.00 -2.27 0.00 0.00 179.45 178.52 3hs6 h ALA 450 N 1.19 1.38 -0.77 5.00 0.00 -1.01 -0.49 119.26 124.56 3hs6 h ALA 450 Ca 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3hs6 h ALA 450 Cb 0.12 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3hs6 h ALA 450 CO -0.03 0.53 0.39 0.77 0.00 0.00 0.00 179.25 180.91 3hs6 h SER 451 N 1.03 0.98 0.07 0.00 0.02 -0.87 0.34 113.55 115.11 3hs6 h SER 451 Ca 0.27 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3hs6 h SER 451 Cb -0.03 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.26 3hs6 h SER 451 CO -0.05 0.81 -0.03 0.40 -1.14 0.00 0.00 176.83 176.82 3hs6 h ILE 452 N 1.09 1.17 -0.81 3.27 2.04 -1.17 -2.32 117.51 120.78 3hs6 h ILE 452 Ca 0.27 -0.90 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 3hs6 h ILE 452 Cb 0.07 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 3hs6 h ILE 452 CO -0.04 0.22 0.39 0.44 0.00 0.00 0.00 178.15 179.17 3hs6 h ASP 453 N -0.51 1.04 0.24 1.72 3.32 -0.86 -2.45 116.42 118.92 3hs6 h ASP 453 Ca -0.01 -0.12 -0.18 0.00 0.02 0.00 0.00 57.03 56.74 3hs6 h ASP 453 Cb 0.44 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 3hs6 h ASP 453 CO 0.02 0.87 -0.72 1.56 -1.72 0.00 0.00 179.24 179.25 3hs6 h GLN 454 N 1.14 0.42 -0.88 3.56 4.20 -0.41 -0.47 115.11 122.68 3hs6 h GLN 454 Ca 0.28 -0.34 0.11 0.00 0.06 0.00 0.00 58.65 58.76 3hs6 h GLN 454 Cb 0.10 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 27.87 3hs6 h GLN 454 CO -0.04 0.98 0.51 0.77 -0.67 0.00 0.00 178.83 180.38 3hs6 h SER 455 N 0.29 0.71 0.04 1.46 0.02 -1.17 -0.40 113.55 114.50 3hs6 h SER 455 Ca -0.03 0.06 -0.20 0.00 -0.84 0.00 0.00 61.79 60.77 3hs6 h SER 455 Cb 1.30 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3hs6 h SER 455 CO 0.13 0.38 -0.75 0.03 -1.14 0.00 0.00 176.83 175.48 3hs6 h ARG 456 N 0.81 0.61 -0.36 3.45 3.08 -1.18 -1.73 114.38 119.06 3hs6 h ARG 456 Ca 0.44 -0.49 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 3hs6 h ARG 456 Cb 0.45 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 3hs6 h ARG 456 CO -0.27 1.12 -0.02 0.93 -1.07 0.00 0.00 179.97 180.65 3hs6 h GLU 457 N 0.42 0.57 -0.16 0.04 5.08 -0.51 -2.35 114.58 117.66 3hs6 h GLU 457 Ca -0.04 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3hs6 h GLU 457 Cb 1.35 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3hs6 h GLU 457 CO 0.14 0.61 0.00 -1.33 -1.00 0.00 0.00 179.01 177.43 3hs6 n MET 458 N -4.26 1.61 -3.68 2.33 2.81 -0.21 -4.93 117.12 110.78 3hs6 n MET 458 Ca 0.02 -0.92 -0.24 0.00 -1.81 0.00 0.00 57.70 54.75 3hs6 n MET 458 Cb 0.27 -1.35 0.05 0.00 -0.71 0.00 0.00 33.22 31.48 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 0.16 -6.15 -1.75 0.03 4.76 -0.89 -4.75 118.16 109.57 3hs6 n LYS 459 Ca 0.15 0.71 -0.41 0.00 -2.87 0.00 0.00 58.31 55.88 3hs6 n LYS 459 Cb 0.27 -5.57 0.00 0.00 -1.84 0.00 0.00 35.03 27.90 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 -4.53 2.74 -1.37 2.13 4.02 -0.68 -0.98 117.16 118.48 3hs6 n TYR 460 Ca -0.13 0.47 -0.29 0.00 -0.01 0.00 0.00 57.90 57.94 3hs6 n TYR 460 Cb 0.61 -2.49 0.16 0.00 -0.02 0.00 0.00 39.34 37.60 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 -2.12 0.70 0.82 -0.72 -0.21 -1.26 -4.76 119.66 112.11 3hs6 s GLN 461 Ca 0.55 0.34 -0.12 0.00 0.02 0.00 0.00 55.36 56.16 3hs6 s GLN 461 Cb -0.49 -1.78 0.08 0.00 1.00 0.00 0.00 33.01 31.81 3hs6 s GLN 461 CO 0.62 -2.51 1.11 -1.54 -2.12 0.00 0.00 175.29 170.85 3hs6 s SER 462 N -3.81 4.34 0.17 5.90 1.04 -1.26 -4.57 113.70 115.51 3hs6 s SER 462 Ca 0.65 1.20 -0.20 0.00 0.48 0.00 0.00 55.95 58.07 3hs6 s SER 462 Cb -0.16 -1.89 0.09 0.00 0.10 0.00 0.00 66.02 64.16 3hs6 s SER 462 CO 0.55 -2.06 1.62 0.25 0.98 0.00 0.00 173.24 174.58 3hs6 h LEU 463 N -1.15 -0.84 -1.45 2.42 5.85 -1.07 -2.17 115.31 116.91 3hs6 h LEU 463 Ca -0.48 0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.37 3hs6 h LEU 463 Cb 1.28 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 42.73 3hs6 h LEU 463 CO 0.60 -0.27 -0.13 0.78 -0.34 0.00 0.00 178.44 179.08 3hs6 h ASN 464 N -0.18 0.19 -0.63 1.25 2.35 -1.84 0.83 115.58 117.55 3hs6 h ASN 464 Ca 0.19 -0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 3hs6 h ASN 464 Cb 0.48 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 3hs6 h ASN 464 CO -0.51 0.34 0.04 -0.33 -1.65 0.00 0.00 177.43 175.33 3hs6 h GLU 465 N 0.19 1.08 -0.32 0.81 4.39 -1.77 -1.97 114.58 116.98 3hs6 h GLU 465 Ca 0.04 -0.32 -0.13 0.00 0.34 0.00 0.00 59.36 59.28 3hs6 h GLU 465 Cb 0.35 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3hs6 h GLU 465 CO 0.02 1.03 -0.34 1.88 -1.16 0.00 0.00 179.01 180.44 3hs6 h TYR 466 N 0.98 0.84 -0.41 4.33 -1.99 -0.67 -1.58 116.97 118.47 3hs6 h TYR 466 Ca 0.18 -0.23 -0.01 0.00 2.00 0.00 0.00 58.73 60.68 3hs6 h TYR 466 Cb 0.51 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 39.04 3hs6 h TYR 466 CO 0.04 0.96 0.24 0.00 -0.00 0.00 0.00 178.16 179.39 3hs6 h ARG 467 N 0.60 0.56 -0.56 4.88 3.08 -0.77 -2.30 114.38 119.87 3hs6 h ARG 467 Ca 0.06 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3hs6 h ARG 467 Cb 0.87 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 3hs6 h ARG 467 CO 0.08 0.44 0.15 0.87 -1.07 0.00 0.00 179.97 180.43 3hs6 h LYS 468 N 0.53 0.90 -0.86 0.04 1.57 -1.25 0.18 116.57 117.68 3hs6 h LYS 468 Ca 0.15 -0.21 0.19 0.00 -1.87 0.00 0.00 60.65 58.90 3hs6 h LYS 468 Cb 0.03 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.16 3hs6 h LYS 468 CO -0.03 0.83 0.57 -0.09 -0.57 0.00 0.00 179.45 180.17 3hs6 h ARG 469 N 0.80 0.40 -0.61 3.15 9.65 -1.07 -0.69 114.38 126.01 3hs6 h ARG 469 Ca 0.18 -0.02 -0.22 0.00 -1.10 0.00 0.00 59.98 58.81 3hs6 h ARG 469 Cb 0.33 -0.09 -0.13 0.00 -1.39 0.00 0.00 29.97 28.69 3hs6 h ARG 469 CO 0.00 0.26 0.21 1.19 2.80 0.00 0.00 179.97 184.43 3hs6 n PHE 470 N -4.50 1.99 -3.13 2.20 3.72 -0.89 -4.95 117.46 111.90 3hs6 n PHE 470 Ca 0.18 -1.35 -0.17 0.00 -0.05 0.00 0.00 57.45 56.06 3hs6 n PHE 470 Cb 0.65 -0.62 0.05 0.00 -0.94 0.00 0.00 39.48 38.61 3hs6 n PHE 470 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3hs6 n SER 471 N -0.61 -5.05 -4.39 4.37 7.64 -0.26 -4.96 113.62 110.36 3hs6 n SER 471 Ca 0.39 -0.33 -0.30 0.00 1.01 0.00 0.00 58.87 59.64 3hs6 n SER 471 Cb 1.27 -3.72 -0.14 0.00 -1.01 0.00 0.00 64.21 60.62 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 -5.32 2.34 0.21 -3.43 1.43 0.60 -4.99 118.68 109.52 3hs6 s LEU 472 Ca 0.36 -0.61 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 3hs6 s LEU 472 Cb -0.16 -1.33 -0.09 0.00 0.03 0.00 0.00 46.19 44.64 3hs6 s LEU 472 CO 0.44 0.23 1.42 -0.54 0.23 0.00 0.00 176.35 178.13 3hs6 s LYS 473 N -1.61 4.30 0.50 1.70 3.01 -1.26 -3.33 119.74 123.05 3hs6 s LYS 473 Ca 0.13 2.22 -0.23 0.00 -1.01 0.00 0.00 55.97 57.09 3hs6 s LYS 473 Cb -0.10 -3.15 -0.06 0.00 -1.01 0.00 0.00 37.83 33.51 3hs6 s LYS 473 CO 0.05 -0.41 1.30 -1.25 0.51 0.00 0.00 175.35 175.55 3hs6 s PRO 474 N 0.06 3.43 0.23 -1.68 0.04 -1.26 -4.90 135.00 130.93 3hs6 s PRO 474 Ca 0.61 2.09 -0.30 0.00 0.04 0.00 0.00 61.00 63.44 3hs6 s PRO 474 Cb -0.40 -2.37 -0.09 0.00 0.04 0.00 0.00 34.50 31.68 3hs6 s PRO 474 CO 0.39 -0.91 1.31 0.71 0.04 0.00 0.00 177.00 178.54 3hs6 s TYR 475 N -1.37 3.21 -0.79 0.56 2.02 -1.26 -4.94 117.35 114.79 3hs6 s TYR 475 Ca 0.67 1.25 0.22 0.00 -0.37 0.00 0.00 57.07 58.85 3hs6 s TYR 475 Cb -0.37 -3.62 -0.00 0.00 -0.40 0.00 0.00 41.96 37.56 3hs6 s TYR 475 CO 0.44 -1.91 1.01 0.25 -1.57 0.00 0.00 175.55 173.77 3hs6 n THR 476 N 2.26 0.06 -3.83 -0.71 -2.24 -1.26 -4.77 114.28 103.79 3hs6 n THR 476 Ca 0.05 -0.13 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 3hs6 n THR 476 Cb 0.42 0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 69.10 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 -3.45 -0.09 0.27 3.42 1.04 -1.26 -4.90 113.70 108.73 3hs6 s SER 477 Ca 0.06 -0.64 0.03 0.00 0.48 0.00 0.00 55.95 55.87 3hs6 s SER 477 Cb 0.16 0.48 0.36 0.00 0.10 0.00 0.00 66.02 67.12 3hs6 s SER 477 CO 0.82 -0.93 1.67 -0.26 0.98 0.00 0.00 173.24 175.52 3hs6 h PHE 478 N 2.42 0.48 0.00 5.02 0.04 -1.93 -2.87 116.94 120.10 3hs6 h PHE 478 Ca -0.31 -0.13 -0.09 0.00 2.80 0.00 0.00 57.97 60.25 3hs6 h PHE 478 Cb 1.24 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 39.27 3hs6 h PHE 478 CO 0.38 0.73 -0.42 0.93 -0.60 0.00 0.00 178.31 179.33 3hs6 h GLU 479 N 0.35 0.00 -0.17 1.51 5.08 -1.87 -2.09 114.58 117.39 3hs6 h GLU 479 Ca 0.04 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 3hs6 h GLU 479 Cb 0.81 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3hs6 h GLU 479 CO 0.06 0.42 -0.53 1.49 -1.00 0.00 0.00 179.01 179.45 3hs6 h GLU 480 N 0.00 0.50 0.20 2.33 4.81 -1.85 0.14 114.58 120.71 3hs6 h GLU 480 Ca -0.00 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 3hs6 h GLU 480 Cb 0.78 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.19 3hs6 h GLU 480 CO 0.05 0.91 -0.10 1.25 -0.73 0.00 0.00 179.01 180.39 3hs6 h LEU 481 N 0.39 -0.23 0.00 1.64 5.85 -1.20 -3.31 115.31 118.45 3hs6 h LEU 481 Ca 0.01 -0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.54 3hs6 h LEU 481 Cb 1.06 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 3hs6 h LEU 481 CO 0.10 -0.07 -1.13 0.71 -0.34 0.00 0.00 178.44 177.71 3hs6 h THR 482 N -0.38 0.44 -2.93 1.05 1.35 -1.43 -0.18 112.91 110.83 3hs6 h THR 482 Ca -0.03 -1.80 -0.28 0.00 -0.55 0.00 0.00 66.41 63.75 3hs6 h THR 482 Cb 0.29 1.99 0.03 0.00 -1.73 0.00 0.00 68.15 68.73 3hs6 h THR 482 CO 0.05 0.25 -0.41 0.61 -0.25 0.00 0.00 175.52 175.77 3hs6 n GLY 483 N 1.31 -0.17 3.74 5.82 0.00 0.48 -3.47 105.19 112.91 3hs6 n GLY 483 Ca -0.05 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.17 1.77 -0.12 1.61 -6.30 -1.22 -5.05 118.70 104.23 3hs6 s GLU 484 Ca 0.15 -1.17 0.03 0.00 -2.50 0.00 0.00 54.97 51.48 3hs6 s GLU 484 Cb -0.07 0.56 -0.09 0.00 0.00 0.00 0.00 34.13 34.52 3hs6 s GLU 484 CO 0.19 -0.79 -0.06 1.63 0.02 0.00 0.00 175.26 176.25 3hs6 n LYS 485 N -0.45 0.99 0.08 4.30 5.02 -1.26 -4.53 118.16 122.31 3hs6 n LYS 485 Ca -0.03 0.05 -0.11 0.00 -2.02 0.00 0.00 58.31 56.19 3hs6 n LYS 485 Cb 0.60 -1.25 -0.07 0.00 -0.02 0.00 0.00 35.03 34.29 3hs6 n LYS 485 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3hs6 h GLU 486 N 0.00 -0.26 -0.61 1.97 4.81 -1.99 -1.98 114.58 116.52 3hs6 h GLU 486 Ca -0.27 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.92 3hs6 h GLU 486 Cb 1.49 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.90 3hs6 h GLU 486 CO -0.02 0.14 0.17 0.52 -0.73 0.00 0.00 179.01 179.08 3hs6 h MET 487 N -0.87 0.93 -0.50 1.92 2.86 -1.94 -2.42 114.93 114.91 3hs6 h MET 487 Ca -0.03 -0.19 0.08 0.00 -2.06 0.00 0.00 59.70 57.50 3hs6 h MET 487 Cb 0.51 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.96 3hs6 h MET 487 CO 0.04 0.81 0.14 0.00 1.06 0.00 0.00 176.91 178.97 3hs6 h ALA 488 N 1.29 0.59 -0.63 6.32 0.00 -1.79 0.28 119.26 125.31 3hs6 h ALA 488 Ca 0.20 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 3hs6 h ALA 488 Cb 0.28 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3hs6 h ALA 488 CO -0.01 -0.27 0.26 0.00 0.00 0.00 0.00 179.25 179.23 3hs6 h ALA 489 N 1.37 0.82 -0.56 0.00 0.00 -0.99 0.46 119.26 120.36 3hs6 h ALA 489 Ca 0.25 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3hs6 h ALA 489 Cb 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3hs6 h ALA 489 CO -0.29 0.44 0.08 0.93 0.00 0.00 0.00 179.25 180.40 3hs6 h GLU 490 N 0.89 0.90 -0.29 0.00 4.39 -0.96 -1.86 114.58 117.65 3hs6 h GLU 490 Ca 0.21 -0.22 -0.18 0.00 0.34 0.00 0.00 59.36 59.51 3hs6 h GLU 490 Cb 0.20 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3hs6 h GLU 490 CO -0.02 0.84 -0.53 -0.07 -1.16 0.00 0.00 179.01 178.07 3hs6 h LEU 491 N 0.85 0.96 -0.75 1.33 3.38 -0.67 -2.61 115.31 117.79 3hs6 h LEU 491 Ca 0.17 -0.51 0.04 0.00 0.09 0.00 0.00 57.88 57.68 3hs6 h LEU 491 Cb 0.40 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3hs6 h LEU 491 CO 0.01 1.30 0.46 0.50 0.09 0.00 0.00 178.44 180.81 3hs6 h LYS 492 N 0.67 0.86 0.00 1.13 1.63 -0.70 0.13 116.57 120.28 3hs6 h LYS 492 Ca 0.02 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3hs6 h LYS 492 Cb 1.14 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 3hs6 h LYS 492 CO 0.12 0.57 0.00 0.00 -3.45 0.00 0.00 179.45 176.68 3hs6 h ALA 493 N 1.34 1.00 0.10 5.00 0.00 -1.29 -0.10 119.26 125.32 3hs6 h ALA 493 Ca 0.31 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.86 3hs6 h ALA 493 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3hs6 h ALA 493 CO -0.14 0.00 -2.05 1.28 0.00 0.00 0.00 179.25 178.35 3hs6 n LEU 494 N -3.08 2.66 -0.07 0.00 4.77 -0.89 -4.64 117.00 115.75 3hs6 n LEU 494 Ca 0.02 0.17 -0.05 0.00 -0.03 0.00 0.00 56.01 56.13 3hs6 n LEU 494 Cb 0.42 -1.09 -0.14 0.00 -2.33 0.00 0.00 43.42 40.28 3hs6 n LEU 494 CO 0.31 0.85 -1.00 -1.22 -1.33 0.00 0.00 177.39 174.99 3hs6 n TYR 495 N -3.49 0.00 0.00 -1.77 4.02 0.41 -4.16 117.16 112.16 3hs6 n TYR 495 Ca -0.34 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.55 3hs6 n TYR 495 Cb 1.03 -0.78 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 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 -2.55 0.00 -4.10 7.72 7.64 -0.05 -4.64 113.62 117.64 3hs6 n SER 496 Ca -0.23 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.37 3hs6 n SER 496 Cb 0.95 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.98 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 -4.98 116.67 118.60 3hs6 s ASP 497 Ca 0.00 -0.41 0.17 0.00 -0.52 0.00 0.00 52.55 51.79 3hs6 s ASP 497 Cb 0.00 -1.07 1.19 0.00 -1.46 0.00 0.00 42.92 41.58 3hs6 s ASP 497 CO 0.00 0.07 2.04 -0.29 0.52 0.00 0.00 175.17 177.52 3hs6 h ILE 498 N 5.88 0.91 0.00 4.11 6.09 -1.90 -2.13 117.51 130.46 3hs6 h ILE 498 Ca -0.27 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 3hs6 h ILE 498 Cb 1.20 0.70 0.00 0.00 0.47 0.00 0.00 36.82 39.19 3hs6 h ILE 498 CO 0.48 0.03 0.00 0.47 -3.07 0.00 0.00 178.15 176.06 3hs6 n ASP 499 N -4.47 0.00 -0.23 2.19 8.00 -1.26 -2.23 116.55 118.55 3hs6 n ASP 499 Ca 0.05 -0.02 0.02 0.00 0.71 0.00 0.00 54.79 55.55 3hs6 n ASP 499 Cb 0.32 -0.25 0.04 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 -1.25 0.49 -1.73 2.53 0.24 -0.80 -4.74 118.33 113.08 3hs6 n VAL 500 Ca 0.08 -0.75 -0.42 0.00 -2.04 0.00 0.00 64.34 61.21 3hs6 n VAL 500 Cb 0.12 0.80 -0.01 0.00 -1.47 0.00 0.00 33.84 33.28 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 0.11 2.45 -2.75 7.34 0.00 -0.95 -4.85 117.12 118.47 3hs6 n MET 501 Ca 0.04 0.87 -0.31 0.00 0.00 0.00 0.00 57.70 58.29 3hs6 n MET 501 Cb 0.22 -2.58 -0.04 0.00 0.00 0.00 0.00 33.22 30.82 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 -1.02 3.92 0.02 2.12 2.02 -1.26 -0.56 118.70 123.94 3hs6 s GLU 502 Ca 0.61 0.72 -0.25 0.00 0.02 0.00 0.00 54.97 56.07 3hs6 s GLU 502 Cb -0.54 -2.29 -0.17 0.00 0.10 0.00 0.00 34.13 31.23 3hs6 s GLU 502 CO 0.54 -0.08 1.35 1.25 0.02 0.00 0.00 175.26 178.35 3hs6 h LEU 503 N 1.38 -0.24 0.55 1.80 5.85 -1.87 -2.88 115.31 119.90 3hs6 h LEU 503 Ca -0.47 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.02 3hs6 h LEU 503 Cb 1.18 0.06 0.01 0.00 0.37 0.00 0.00 40.66 42.28 3hs6 h LEU 503 CO 0.63 0.07 -0.26 0.22 -0.34 0.00 0.00 178.44 178.76 3hs6 h TYR 504 N -0.58 -0.69 0.00 1.25 3.20 -1.94 -1.82 116.97 116.39 3hs6 h TYR 504 Ca -0.03 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 3hs6 h TYR 504 Cb 0.43 0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 3hs6 h TYR 504 CO 0.02 -0.40 -0.05 -1.00 -1.64 0.00 0.00 178.16 175.09 3hs6 h PRO 505 N -0.79 0.00 -0.30 1.82 0.13 -1.97 -2.59 132.00 128.29 3hs6 h PRO 505 Ca -0.08 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.94 3hs6 h PRO 505 Cb 0.59 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 3hs6 h PRO 505 CO 0.12 0.05 -0.29 0.00 -0.23 0.00 0.00 178.00 177.65 3hs6 h ALA 506 N 1.95 0.93 -0.24 -0.56 0.00 -1.19 -2.55 119.26 117.60 3hs6 h ALA 506 Ca -0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 3hs6 h ALA 506 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hs6 h ALA 506 CO 0.01 0.62 -0.09 -0.07 0.00 0.00 0.00 179.25 179.71 3hs6 h LEU 507 N 0.54 0.36 0.00 0.00 3.38 -0.94 -1.01 115.31 117.64 3hs6 h LEU 507 Ca 0.07 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3hs6 h LEU 507 Cb 0.77 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3hs6 h LEU 507 CO 0.06 0.50 -0.61 -0.07 0.09 0.00 0.00 178.44 178.41 3hs6 h LEU 508 N 0.36 0.00 -0.79 1.67 3.38 -1.50 -3.34 115.31 115.10 3hs6 h LEU 508 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hs6 h LEU 508 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3hs6 h LEU 508 CO 0.02 0.14 -0.50 1.33 0.09 0.00 0.00 178.44 179.52 3hs6 n VAL 509 N -2.93 0.00 -1.75 1.22 0.24 -0.98 0.13 118.33 114.26 3hs6 n VAL 509 Ca 0.01 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.34 61.64 3hs6 n VAL 509 Cb 0.60 1.19 0.00 0.00 -1.47 0.00 0.00 33.84 34.17 3hs6 n VAL 509 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3hs6 n GLU 510 N -0.30 2.45 -1.63 7.34 2.13 -0.40 -4.14 120.64 126.10 3hs6 n GLU 510 Ca 0.07 0.86 -0.47 0.00 0.66 0.00 0.00 57.16 58.28 3hs6 n GLU 510 Cb 0.39 -2.58 -0.05 0.00 0.27 0.00 0.00 31.44 29.47 3hs6 n GLU 510 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3hs6 n LYS 511 N 0.31 2.03 -1.65 5.31 4.81 -0.08 -1.12 118.16 127.77 3hs6 n LYS 511 Ca 0.03 0.69 -0.32 0.00 -0.87 0.00 0.00 58.31 57.84 3hs6 n LYS 511 Cb 0.39 -2.76 0.05 0.00 0.02 0.00 0.00 35.03 32.73 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 4.90 2.75 0.94 1.64 0.02 -1.26 -4.37 135.00 139.62 3hs6 s PRO 512 Ca 0.97 1.25 -0.10 0.00 0.02 0.00 0.00 61.00 63.14 3hs6 s PRO 512 Cb -0.63 -1.95 0.16 0.00 0.02 0.00 0.00 34.50 32.10 3hs6 s PRO 512 CO 0.47 -1.27 1.13 0.54 -0.33 0.00 0.00 177.00 177.55 3hs6 n ARG 513 N -2.73 -0.61 -1.56 5.54 3.00 -0.67 -4.80 116.66 114.83 3hs6 n ARG 513 Ca 0.09 -0.11 -0.51 0.00 -0.01 0.00 0.00 57.85 57.31 3hs6 n ARG 513 Cb 0.53 -2.36 -0.06 0.00 0.00 0.00 0.00 32.46 30.56 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 -4.28 1.40 -2.58 5.56 -0.02 -1.26 -0.52 135.00 133.29 3hs6 n PRO 514 Ca 0.11 0.45 -0.18 0.00 -2.02 0.00 0.00 63.50 61.86 3hs6 n PRO 514 Cb 0.52 -2.48 -0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 8.40 -4.96 -4.90 2.55 8.00 -1.26 -4.99 116.55 119.39 3hs6 n ASP 515 Ca 0.34 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.63 3hs6 n ASP 515 Cb 0.24 -4.13 -0.03 0.00 -0.02 0.00 0.00 41.12 37.18 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 -2.88 3.91 0.11 2.24 0.00 0.32 -3.80 121.76 121.66 3hs6 s ALA 516 Ca 0.07 -1.49 0.04 0.00 0.00 0.00 0.00 51.96 50.59 3hs6 s ALA 516 Cb -0.03 -1.42 -0.22 0.00 0.00 0.00 0.00 23.12 21.45 3hs6 s ALA 516 CO 0.09 0.08 1.25 0.97 0.00 0.00 0.00 175.76 178.15 3hs6 h ILE 517 N 1.19 1.66 -2.67 0.00 2.10 -1.91 -3.43 117.51 114.45 3hs6 h ILE 517 Ca -0.47 -3.32 -0.61 0.00 1.08 0.00 0.00 64.86 61.54 3hs6 h ILE 517 Cb 1.25 2.86 -0.14 0.00 -1.09 0.00 0.00 36.82 39.70 3hs6 h ILE 517 CO 0.58 0.95 -0.73 -0.36 -1.08 0.00 0.00 178.15 177.51 3hs6 s PHE 518 N -2.72 2.51 0.68 2.19 0.08 -1.26 -1.27 117.98 118.19 3hs6 s PHE 518 Ca -0.00 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 56.78 3hs6 s PHE 518 Cb 0.09 -1.17 0.11 0.00 -0.57 0.00 0.00 43.02 41.48 3hs6 s PHE 518 CO 0.83 0.58 0.94 0.20 -0.10 0.00 0.00 175.22 177.68 3hs6 s GLY 519 N -3.15 1.77 0.22 4.36 0.00 -1.26 -1.67 107.32 107.59 3hs6 s GLY 519 Ca 0.27 -1.67 -0.08 0.00 0.00 0.00 0.00 44.72 43.24 3hs6 s GLY 519 CO 0.15 -1.17 1.83 -2.09 0.00 0.00 0.00 173.10 171.83 3hs6 h GLU 520 N -0.38 0.79 -0.70 2.90 4.81 -1.94 -2.90 114.58 117.16 3hs6 h GLU 520 Ca -0.37 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 58.76 3hs6 h GLU 520 Cb 1.27 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 3hs6 h GLU 520 CO 0.43 0.52 0.22 1.15 -0.73 0.00 0.00 179.01 180.60 3hs6 h THR 521 N 0.81 1.25 -0.44 0.32 2.02 -1.95 -1.29 112.91 113.62 3hs6 h THR 521 Ca 0.32 -0.86 0.03 0.00 0.77 0.00 0.00 66.41 66.67 3hs6 h THR 521 Cb 0.16 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3hs6 h THR 521 CO -0.17 0.34 0.24 -0.03 0.37 0.00 0.00 175.52 176.27 3hs6 h MET 522 N 1.03 0.48 -0.02 6.66 1.85 -1.87 -2.29 114.93 120.76 3hs6 h MET 522 Ca 0.23 -0.03 -0.26 0.00 -0.61 0.00 0.00 59.70 59.03 3hs6 h MET 522 Cb 0.28 -0.11 0.02 0.00 0.43 0.00 0.00 31.60 32.22 3hs6 h MET 522 CO -0.01 0.32 -1.00 0.28 -0.40 0.00 0.00 176.91 176.10 3hs6 h VAL 523 N 0.49 1.28 0.00 -5.77 2.07 -1.46 -0.96 116.25 111.90 3hs6 h VAL 523 Ca 0.18 -2.20 -0.14 0.00 0.82 0.00 0.00 66.70 65.36 3hs6 h VAL 523 Cb 0.05 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 3hs6 h VAL 523 CO -0.10 0.68 -0.68 -0.33 0.02 0.00 0.00 177.57 177.16 3hs6 h GLU 524 N 0.42 0.00 0.22 1.57 4.39 -1.24 -0.39 114.58 119.55 3hs6 h GLU 524 Ca -0.12 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.28 3hs6 h GLU 524 Cb 1.65 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 30.33 3hs6 h GLU 524 CO 0.20 0.68 -1.38 -0.07 -1.16 0.00 0.00 179.01 177.27 3hs6 h LEU 525 N 0.00 0.72 -0.20 1.33 4.07 -1.50 -3.40 115.31 116.32 3hs6 h LEU 525 Ca -0.01 -0.93 -0.19 0.00 0.08 0.00 0.00 57.88 56.84 3hs6 h LEU 525 Cb 1.27 -0.23 0.01 0.00 1.08 0.00 0.00 40.66 42.78 3hs6 h LEU 525 CO 0.09 1.66 -0.61 1.23 -1.08 0.00 0.00 178.44 179.72 3hs6 h GLY 526 N 0.11 0.85 0.64 0.83 0.00 -1.04 -3.32 103.07 101.15 3hs6 h GLY 526 Ca -0.25 -1.09 0.04 0.00 0.00 0.00 0.00 47.33 46.03 3hs6 h GLY 526 CO 0.23 0.98 0.03 0.00 0.00 0.00 0.00 176.54 177.77 3hs6 h ALA 527 N 0.59 0.26 -0.71 3.60 0.00 -1.28 -1.86 119.26 119.85 3hs6 h ALA 527 Ca -0.02 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3hs6 h ALA 527 Cb 1.23 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 3hs6 h ALA 527 CO 0.13 -0.39 0.23 -1.35 0.00 0.00 0.00 179.25 177.87 3hs6 h PRO 528 N 0.12 1.09 -0.78 0.00 0.11 -1.78 0.84 132.00 131.60 3hs6 h PRO 528 Ca 0.13 -0.22 -0.04 0.00 0.11 0.00 0.00 66.00 65.97 3hs6 h PRO 528 Cb 0.15 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.06 3hs6 h PRO 528 CO -0.19 0.93 0.34 0.74 -0.21 0.00 0.00 178.00 179.61 3hs6 h PHE 529 N 1.05 1.17 0.38 0.65 0.04 -1.62 -2.20 116.94 116.42 3hs6 h PHE 529 Ca 0.23 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.91 3hs6 h PHE 529 Cb 0.29 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.09 3hs6 h PHE 529 CO 0.02 0.87 -0.18 1.03 -0.60 0.00 0.00 178.31 179.45 3hs6 h SER 530 N 1.12 -0.43 -0.72 2.17 0.87 -0.98 -1.74 113.55 113.84 3hs6 h SER 530 Ca 0.26 -0.09 0.16 0.00 -1.23 0.00 0.00 61.79 60.89 3hs6 h SER 530 Cb 0.18 0.11 -0.12 0.00 -0.44 0.00 0.00 62.40 62.13 3hs6 h SER 530 CO -0.03 -0.16 0.07 0.25 -0.53 0.00 0.00 176.83 176.43 3hs6 h LEU 531 N -0.71 -0.20 -0.52 2.23 5.85 -0.81 0.34 115.31 121.48 3hs6 h LEU 531 Ca -0.05 0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 3hs6 h LEU 531 Cb 0.50 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 3hs6 h LEU 531 CO 0.09 -0.12 0.17 0.50 -0.34 0.00 0.00 178.44 178.74 3hs6 h LYS 532 N 0.16 0.81 0.00 1.25 1.63 -1.34 0.93 116.57 120.01 3hs6 h LYS 532 Ca 0.40 -0.17 -0.10 0.00 -0.85 0.00 0.00 60.65 59.92 3hs6 h LYS 532 Cb 0.68 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.18 3hs6 h LYS 532 CO -0.58 0.74 -0.48 0.78 -3.45 0.00 0.00 179.45 176.46 3hs6 h GLY 533 N 0.72 0.00 0.00 5.01 0.00 -0.36 -1.66 103.07 106.78 3hs6 h GLY 533 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.38 3hs6 h GLY 533 CO -0.01 0.00 -0.92 1.04 0.00 0.00 0.00 176.54 176.65 3hs6 n LEU 534 N -3.85 1.84 0.19 3.11 4.77 0.02 -4.21 117.00 118.86 3hs6 n LEU 534 Ca -0.01 0.53 0.08 0.00 -0.03 0.00 0.00 56.01 56.57 3hs6 n LEU 534 Cb 0.52 -0.91 0.22 0.00 -2.33 0.00 0.00 43.42 40.91 3hs6 n LEU 534 CO 0.40 -0.10 0.68 0.24 -1.33 0.00 0.00 177.39 177.28 3hs6 h MET 535 N -1.00 0.00 0.00 3.23 2.86 -0.96 -3.21 114.93 115.85 3hs6 h MET 535 Ca -0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 3hs6 h MET 535 Cb 0.92 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.58 3hs6 h MET 535 CO -0.11 0.26 0.00 0.41 1.06 0.00 0.00 176.91 178.53 3hs6 n GLY 536 N 0.84 -1.19 3.77 8.32 0.00 -0.62 -4.66 105.19 111.64 3hs6 n GLY 536 Ca 0.02 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.92 6.02 0.52 1.61 3.84 -1.21 -2.53 114.94 120.28 3hs6 s ASN 537 Ca 0.12 2.93 0.18 0.00 0.21 0.00 0.00 52.86 56.31 3hs6 s ASN 537 Cb 0.14 -2.66 1.31 0.00 -0.55 0.00 0.00 41.25 39.50 3hs6 s ASN 537 CO 0.38 -1.08 2.13 1.55 -2.79 0.00 0.00 177.10 177.29 3hs6 h PRO 538 N 2.52 0.00 0.00 0.43 0.13 -1.88 -1.95 132.00 131.24 3hs6 h PRO 538 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3hs6 h PRO 538 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3hs6 h PRO 538 CO 0.62 0.00 0.00 0.44 -0.23 0.00 0.00 178.00 178.83 3hs6 n ILE 539 N -4.48 1.18 1.17 -3.56 -5.35 -1.26 -1.31 119.36 105.75 3hs6 n ILE 539 Ca -0.01 0.37 0.13 0.00 -0.27 0.00 0.00 62.75 62.97 3hs6 n ILE 539 Cb 0.18 -1.26 0.33 0.00 -1.74 0.00 0.00 39.64 37.15 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 -2.64 6.67 0.35 0.00 1.04 -0.43 -4.78 113.70 113.90 3hs6 s SER 541 Ca 0.20 1.74 0.13 0.00 0.48 0.00 0.00 55.95 58.51 3hs6 s SER 541 Cb 0.19 -2.54 0.98 0.00 0.10 0.00 0.00 66.02 64.75 3hs6 s SER 541 CO 0.57 -0.55 1.73 -0.65 0.98 0.00 0.00 173.24 175.33 3hs6 h PRO 542 N 1.59 0.48 0.00 4.02 0.11 -1.92 0.24 132.00 136.53 3hs6 h PRO 542 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3hs6 h PRO 542 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3hs6 h PRO 542 CO 0.60 0.32 0.00 1.96 -0.21 0.00 0.00 178.00 180.67 3hs6 h GLN 543 N 0.49 0.00 0.00 1.05 1.08 -1.92 -3.27 115.11 112.54 3hs6 h GLN 543 Ca 0.64 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 57.50 3hs6 h GLN 543 Cb 1.38 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.75 3hs6 h GLN 543 CO -0.43 0.00 -2.30 0.66 -0.95 0.00 0.00 178.83 175.81 3hs6 n TYR 544 N -2.48 0.00 -1.67 2.96 4.02 -0.20 -4.78 117.16 115.00 3hs6 n TYR 544 Ca 0.04 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.53 3hs6 n TYR 544 Cb 0.37 -0.90 -0.04 0.00 -0.02 0.00 0.00 39.34 38.75 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 -2.97 2.85 -3.76 -0.72 -0.00 -0.10 -4.57 117.44 108.17 3hs6 n TRP 545 Ca -0.36 -2.19 -0.13 0.00 -0.00 0.00 0.00 57.50 54.82 3hs6 n TRP 545 Cb 1.01 -2.23 -0.10 0.00 -0.00 0.00 0.00 31.31 30.00 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 4.70 0.55 0.41 5.87 1.02 -1.26 -4.96 119.74 126.06 3hs6 s LYS 546 Ca 0.56 0.11 0.10 0.00 0.02 0.00 0.00 55.97 56.76 3hs6 s LYS 546 Cb 0.10 0.25 0.91 0.00 -0.52 0.00 0.00 37.83 38.57 3hs6 s LYS 546 CO 0.06 -0.12 1.98 -1.00 -0.92 0.00 0.00 175.35 175.36 3hs6 h PRO 547 N 4.65 0.53 -0.19 -1.68 0.13 -1.86 -2.21 132.00 131.37 3hs6 h PRO 547 Ca -0.28 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.79 3hs6 h PRO 547 Cb 1.18 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 3hs6 h PRO 547 CO 0.35 0.35 -0.02 0.66 -0.23 0.00 0.00 178.00 179.11 3hs6 h SER 548 N 0.55 0.25 -0.55 1.44 4.64 -1.92 -0.84 113.55 117.12 3hs6 h SER 548 Ca 0.27 -0.03 0.10 0.00 -0.47 0.00 0.00 61.79 61.66 3hs6 h SER 548 Cb 0.35 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 3hs6 h SER 548 CO -0.08 0.32 0.37 0.74 -0.87 0.00 0.00 176.83 177.32 3hs6 h THR 549 N 0.27 0.86 -0.32 2.95 2.02 -1.64 -2.89 112.91 114.17 3hs6 h THR 549 Ca 0.06 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 3hs6 h THR 549 Cb 0.22 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 3hs6 h THR 549 CO 0.01 0.05 0.01 0.49 0.37 0.00 0.00 175.52 176.45 3hs6 n PHE 550 N -4.46 1.12 -0.80 3.16 3.01 -0.58 -4.93 117.46 113.99 3hs6 n PHE 550 Ca 0.09 -1.03 0.00 0.00 1.01 0.00 0.00 57.45 57.52 3hs6 n PHE 550 Cb 0.41 -0.38 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 3hs6 n PHE 550 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hs6 n GLY 551 N -0.58 0.54 0.00 1.37 0.00 -1.09 -3.85 105.19 101.59 3hs6 n GLY 551 Ca 0.25 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.80 -0.21 0.21 -0.02 0.00 -0.43 -4.65 105.19 97.29 3hs6 n GLY 552 Ca 0.00 -2.26 0.07 0.00 0.00 0.00 0.00 46.02 43.82 3hs6 n GLY 552 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hs6 h GLU 553 N 7.07 0.00 -0.28 1.61 4.39 -1.91 -2.35 114.58 123.11 3hs6 h GLU 553 Ca 0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 3hs6 h GLU 553 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3hs6 h GLU 553 CO 0.00 0.30 -0.11 0.28 -1.16 0.00 0.00 179.01 178.32 3hs6 h VAL 554 N 0.00 1.29 -0.40 3.13 2.07 -1.90 0.52 116.25 120.96 3hs6 h VAL 554 Ca -0.00 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.29 3hs6 h VAL 554 Cb 0.66 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 3hs6 h VAL 554 CO 0.04 0.37 0.05 1.23 0.02 0.00 0.00 177.57 179.28 3hs6 h GLY 555 N 0.32 0.72 1.23 2.17 0.00 -1.63 -2.47 103.07 103.41 3hs6 h GLY 555 Ca 0.07 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 3hs6 h GLY 555 CO 0.04 0.46 0.45 -2.75 0.00 0.00 0.00 176.54 174.73 3hs6 h PHE 556 N 0.51 0.99 -0.71 5.60 3.57 -1.36 -2.75 116.94 122.79 3hs6 h PHE 556 Ca 0.12 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3hs6 h PHE 556 Cb 0.40 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 3hs6 h PHE 556 CO 0.03 0.66 0.33 -0.22 -2.23 0.00 0.00 178.31 176.88 3hs6 h LYS 557 N 1.04 1.03 -0.35 1.11 1.63 -0.70 -2.93 116.57 117.39 3hs6 h LYS 557 Ca 0.27 -0.16 0.07 0.00 -0.85 0.00 0.00 60.65 59.98 3hs6 h LYS 557 Cb -0.04 -0.18 -0.06 0.00 -0.60 0.00 0.00 32.23 31.35 3hs6 h LYS 557 CO -0.05 0.81 -0.07 0.82 -3.45 0.00 0.00 179.45 177.52 3hs6 h ILE 558 N 0.99 0.67 -0.02 2.00 2.04 -1.13 -2.37 117.51 119.69 3hs6 h ILE 558 Ca 0.24 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 66.13 3hs6 h ILE 558 Cb 0.13 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 3hs6 h ILE 558 CO -0.03 0.00 -0.23 0.40 0.00 0.00 0.00 178.15 178.30 3hs6 h ILE 559 N 0.02 0.47 -0.12 -0.67 2.04 -1.53 -2.56 117.51 115.17 3hs6 h ILE 559 Ca 0.17 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.03 3hs6 h ILE 559 Cb 0.25 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3hs6 h ILE 559 CO -0.34 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.40 3hs6 n ASN 560 N -5.35 0.79 0.00 1.72 5.03 -0.94 -2.32 115.26 114.18 3hs6 n ASN 560 Ca -0.05 -2.02 0.00 0.00 0.87 0.00 0.00 54.58 53.38 3hs6 n ASN 560 Cb 0.27 -0.14 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 3hs6 n ASN 560 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 3hs6 n THR 561 N -0.12 0.00 -2.16 3.41 -1.04 -0.94 -5.07 114.28 108.37 3hs6 n THR 561 Ca 0.04 -0.33 -0.41 0.00 -2.04 0.00 0.00 64.05 61.32 3hs6 n THR 561 Cb 0.14 1.18 -0.02 0.00 -1.82 0.00 0.00 70.33 69.81 3hs6 n THR 561 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hs6 s ALA 562 N -0.31 3.50 0.13 2.41 0.00 -0.97 -4.92 121.76 121.60 3hs6 s ALA 562 Ca 0.00 1.21 -0.10 0.00 0.00 0.00 0.00 51.96 53.07 3hs6 s ALA 562 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3hs6 s ALA 562 CO 0.00 -0.58 0.26 -1.54 0.00 0.00 0.00 175.76 173.90 3hs6 s SER 563 N -0.36 0.04 0.41 0.00 1.04 -1.26 -4.60 113.70 108.97 3hs6 s SER 563 Ca 0.50 -0.70 0.09 0.00 0.48 0.00 0.00 55.95 56.32 3hs6 s SER 563 Cb -0.39 0.40 0.90 0.00 0.10 0.00 0.00 66.02 67.03 3hs6 s SER 563 CO 0.49 -0.82 2.02 -0.29 0.98 0.00 0.00 173.24 175.62 3hs6 h ILE 564 N 2.61 1.03 -0.25 -1.02 6.09 -1.96 -0.64 117.51 123.37 3hs6 h ILE 564 Ca -0.33 -0.18 -0.07 0.00 -1.37 0.00 0.00 64.86 62.91 3hs6 h ILE 564 Cb 1.22 0.45 -0.01 0.00 0.47 0.00 0.00 36.82 38.95 3hs6 h ILE 564 CO 0.51 0.10 -0.10 -0.61 -3.07 0.00 0.00 178.15 174.98 3hs6 h GLN 565 N 0.54 0.50 -0.18 2.19 5.75 -1.96 -2.81 115.11 119.14 3hs6 h GLN 565 Ca 0.21 -0.21 -0.11 0.00 -0.15 0.00 0.00 58.65 58.39 3hs6 h GLN 565 Cb 0.16 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 3hs6 h GLN 565 CO -0.06 0.76 -0.37 0.66 -2.65 0.00 0.00 178.83 177.17 3hs6 h SER 566 N 0.23 0.41 -0.34 -0.69 4.64 -1.77 0.21 113.55 116.24 3hs6 h SER 566 Ca 0.06 -0.17 0.01 0.00 -0.47 0.00 0.00 61.79 61.22 3hs6 h SER 566 Cb 0.60 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 3hs6 h SER 566 CO 0.03 0.75 0.21 0.25 -0.87 0.00 0.00 176.83 177.21 3hs6 h LEU 567 N 0.33 0.36 -0.19 5.97 5.85 -1.14 -0.61 115.31 125.89 3hs6 h LEU 567 Ca 0.03 -0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.58 3hs6 h LEU 567 Cb 0.81 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.76 3hs6 h LEU 567 CO 0.07 0.26 -0.57 0.40 -0.34 0.00 0.00 178.44 178.26 3hs6 h ILE 568 N 0.44 1.31 -0.76 4.05 5.03 -1.34 -3.03 117.51 123.20 3hs6 h ILE 568 Ca 0.13 -1.79 0.06 0.00 -0.12 0.00 0.00 64.86 63.13 3hs6 h ILE 568 Cb -0.03 1.92 -0.06 0.00 -3.03 0.00 0.00 36.82 35.62 3hs6 h ILE 568 CO -0.04 0.56 0.46 0.00 -0.68 0.00 0.00 178.15 178.45 3hs6 h ASN 570 N 0.84 0.00 0.00 0.00 2.35 -1.15 -3.38 115.58 114.24 3hs6 h ASN 570 Ca 0.33 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 3hs6 h ASN 570 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3hs6 h ASN 570 CO -0.17 0.01 0.00 0.59 -1.65 0.00 0.00 177.43 176.21 3hs6 n ASN 571 N -2.31 0.33 -4.19 5.81 3.02 -1.07 -4.99 115.26 111.86 3hs6 n ASN 571 Ca 0.05 -0.68 -0.32 0.00 -0.03 0.00 0.00 54.58 53.61 3hs6 n ASN 571 Cb 0.44 0.30 -0.17 0.00 -0.61 0.00 0.00 39.78 39.74 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 -0.30 2.00 0.02 2.41 1.01 -0.02 -4.94 120.40 120.58 3hs6 s VAL 572 Ca 0.00 -0.97 -0.36 0.00 0.00 0.00 0.00 61.98 60.65 3hs6 s VAL 572 Cb 0.00 -1.75 -0.14 0.00 0.00 0.00 0.00 36.38 34.49 3hs6 s VAL 572 CO 0.00 0.54 1.60 1.17 0.00 0.00 0.00 175.10 178.41 3hs6 n LYS 573 N 3.72 1.73 -0.62 2.72 4.81 -1.26 -1.76 118.16 127.50 3hs6 n LYS 573 Ca -0.19 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 3hs6 n LYS 573 Cb 0.52 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.21 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 3.49 0.78 3.88 3.14 0.00 -1.26 -4.51 105.19 110.70 3hs6 n GLY 574 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 -5.62 2.81 0.30 0.00 0.04 -1.26 -4.90 135.00 126.36 3hs6 s PRO 576 Ca 0.13 1.62 -0.29 0.00 0.04 0.00 0.00 61.00 62.49 3hs6 s PRO 576 Cb -0.07 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 3hs6 s PRO 576 CO 0.91 -1.29 1.31 0.12 0.04 0.00 0.00 177.00 178.10 3hs6 s PHE 577 N -1.98 3.11 0.10 0.56 5.36 -1.26 -4.63 117.98 119.23 3hs6 s PHE 577 Ca 0.72 1.35 -0.05 0.00 -0.96 0.00 0.00 56.93 57.99 3hs6 s PHE 577 Cb -0.25 -3.67 -0.02 0.00 -0.34 0.00 0.00 43.02 38.74 3hs6 s PHE 577 CO 0.37 -1.90 0.12 -0.08 -1.46 0.00 0.00 175.22 172.27 3hs6 s THR 578 N -0.80 0.15 0.21 0.12 -1.32 -1.26 -4.76 115.64 107.98 3hs6 s THR 578 Ca 0.51 -1.51 -0.21 0.00 -1.21 0.00 0.00 61.69 59.27 3hs6 s THR 578 Cb -0.39 -1.58 0.07 0.00 -1.51 0.00 0.00 72.50 69.09 3hs6 s THR 578 CO 0.49 -0.67 1.01 -0.94 -2.21 0.00 0.00 174.62 172.30 3hs6 s SER 579 N -2.92 0.01 0.00 8.08 1.04 -1.26 -4.65 113.70 113.99 3hs6 s SER 579 Ca 0.10 -0.73 0.27 0.00 0.48 0.00 0.00 55.95 56.07 3hs6 s SER 579 Cb 0.06 0.54 0.78 0.00 0.10 0.00 0.00 66.02 67.49 3hs6 s SER 579 CO -0.07 -1.07 1.58 0.49 0.98 0.00 0.00 173.24 175.15 3hs6 n PHE 580 N -0.69 0.00 -4.53 5.02 3.72 -1.26 -4.61 117.46 115.11 3hs6 n PHE 580 Ca -0.03 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.13 3hs6 n PHE 580 Cb 0.59 -0.03 -0.14 0.00 -0.94 0.00 0.00 39.48 38.96 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 -2.17 2.17 0.00 4.37 2.20 -1.26 -1.24 114.94 119.01 3hs6 s ASN 581 Ca 0.31 -0.50 0.17 0.00 -0.94 0.00 0.00 52.86 51.90 3hs6 s ASN 581 Cb 0.20 -0.17 0.99 0.00 -2.00 0.00 0.00 41.25 40.27 3hs6 s ASN 581 CO 0.40 0.11 1.40 1.33 -2.94 0.00 0.00 177.10 177.40