#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhw s VAL 3 N 0.00 3.33 -0.19 0.44 1.01 -1.26 -5.09 120.40 118.65 3hhw s VAL 3 Ca 0.00 -1.22 -0.25 0.00 0.00 0.00 0.00 61.98 60.52 3hhw s VAL 3 Cb 0.00 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 3hhw s VAL 3 CO 0.00 -0.09 0.81 -0.89 0.00 0.00 0.00 175.10 174.93 3hhw s THR 4 N 1.33 4.88 -0.13 3.92 2.01 -1.26 -5.02 115.64 121.37 3hhw s THR 4 Ca -0.03 1.58 -0.02 0.00 0.31 0.00 0.00 61.69 63.53 3hhw s THR 4 Cb -0.19 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 3hhw s THR 4 CO 0.00 0.01 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.18 3hhw s VAL 5 N 2.27 3.55 0.06 3.82 1.01 -1.26 -5.08 120.40 124.77 3hhw s VAL 5 Ca 0.37 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 61.91 3hhw s VAL 5 Cb -0.16 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3hhw s VAL 5 CO 0.11 0.52 -0.16 -1.59 0.00 0.00 0.00 175.10 173.98 3hhw s LYS 6 N 0.12 1.00 -0.19 2.72 -2.85 -1.26 -1.00 119.74 118.29 3hhw s LYS 6 Ca -0.03 -0.90 -0.27 0.00 -1.00 0.00 0.00 55.97 53.77 3hhw s LYS 6 Cb -0.14 -1.07 -0.01 0.00 -2.06 0.00 0.00 37.83 34.55 3hhw s LYS 6 CO 0.04 0.26 0.92 0.50 0.10 0.00 0.00 175.35 177.17 3hhw s ARG 7 N -1.42 4.29 0.16 1.78 3.52 0.94 -4.94 118.95 123.27 3hhw s ARG 7 Ca 0.02 1.17 -0.16 0.00 -0.13 0.00 0.00 55.73 56.63 3hhw s ARG 7 Cb -0.09 -3.60 0.07 0.00 -1.56 0.00 0.00 34.95 29.77 3hhw s ARG 7 CO 0.02 -0.45 1.74 0.82 -0.81 0.00 0.00 175.30 176.63 3hhw h ILE 8 N 5.29 0.87 0.00 4.11 2.04 -1.96 0.18 117.51 128.03 3hhw h ILE 8 Ca -0.25 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3hhw h ILE 8 Cb 1.11 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3hhw h ILE 8 CO 0.89 0.04 0.00 0.00 0.00 0.00 0.00 178.15 179.08 3hhw n ILE 9 N -5.05 0.85 0.00 -0.67 3.06 -1.26 -3.54 119.36 112.75 3hhw n ILE 9 Ca 0.01 0.23 0.00 0.00 -2.50 0.00 0.00 62.75 60.49 3hhw n ILE 9 Cb 0.14 -1.13 0.00 0.00 0.54 0.00 0.00 39.64 39.19 3hhw n ILE 9 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 3hhw n ASP 10 N -2.14 4.16 -0.07 9.51 9.92 -1.03 -5.00 116.55 131.91 3hhw n ASP 10 Ca 0.02 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.27 3hhw n ASP 10 Cb 0.22 0.79 -0.00 0.00 -0.64 0.00 0.00 41.12 41.49 3hhw n ASP 10 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3hhw n ASN 11 N -1.30 -5.35 -4.77 -2.24 4.13 0.60 -4.99 115.26 101.34 3hhw n ASN 11 Ca 0.00 0.02 -0.38 0.00 1.68 0.00 0.00 54.58 55.91 3hhw n ASN 11 Cb 0.04 -2.93 -0.02 0.00 -1.54 0.00 0.00 39.78 35.32 3hhw n ASN 11 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3hhw s THR 12 N -1.29 3.29 0.48 3.41 -4.23 -1.23 -4.77 115.64 111.29 3hhw s THR 12 Ca 0.00 1.03 -0.12 0.00 -1.18 0.00 0.00 61.69 61.42 3hhw s THR 12 Cb 0.00 -3.56 -0.06 0.00 1.34 0.00 0.00 72.50 70.22 3hhw s THR 12 CO 0.00 0.05 0.88 0.54 -0.54 0.00 0.00 174.62 175.55 3hhw s VAL 13 N -1.50 4.71 -0.06 2.29 0.11 -1.26 -0.04 120.40 124.65 3hhw s VAL 13 Ca 0.59 0.80 -0.04 0.00 -2.93 0.00 0.00 61.98 60.40 3hhw s VAL 13 Cb -0.28 -3.76 0.02 0.00 -1.53 0.00 0.00 36.38 30.83 3hhw s VAL 13 CO 0.35 -0.70 0.14 -0.51 -3.33 0.00 0.00 175.10 171.05 3hhw s ILE 14 N -2.60 -0.01 -0.40 7.04 2.07 -0.17 -4.81 121.20 122.32 3hhw s ILE 14 Ca 0.54 0.05 -0.01 0.00 -1.41 0.00 0.00 60.65 59.82 3hhw s ILE 14 Cb -0.10 -0.21 0.11 0.00 0.13 0.00 0.00 42.46 42.38 3hhw s ILE 14 CO 0.36 0.02 0.17 -0.69 -1.91 0.00 0.00 174.94 172.89 3hhw s VAL 15 N 0.39 3.06 -0.06 4.00 1.01 -1.26 -4.11 120.40 123.43 3hhw s VAL 15 Ca -0.03 -2.15 -0.30 0.00 0.00 0.00 0.00 61.98 59.51 3hhw s VAL 15 Cb -0.04 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.15 3hhw s VAL 15 CO -0.02 -0.68 1.80 -2.84 0.00 0.00 0.00 175.10 173.37 3hhw s PRO 16 N 1.06 4.02 0.08 2.72 0.02 -1.26 -4.99 135.00 136.65 3hhw s PRO 16 Ca 0.09 2.24 0.06 0.00 0.02 0.00 0.00 61.00 63.41 3hhw s PRO 16 Cb -0.22 -4.09 -0.03 0.00 0.02 0.00 0.00 34.50 30.19 3hhw s PRO 16 CO -0.05 -1.05 -0.17 0.15 -0.33 0.00 0.00 177.00 175.55 3hhw s LYS 17 N 4.47 0.97 0.06 5.54 1.02 -1.26 -5.16 119.74 125.39 3hhw s LYS 17 Ca 0.80 -0.99 0.06 0.00 0.02 0.00 0.00 55.97 55.86 3hhw s LYS 17 Cb -0.35 -1.07 -0.03 0.00 -0.52 0.00 0.00 37.83 35.86 3hhw s LYS 17 CO 0.34 0.25 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.35 3hhw s LEU 18 N -1.67 2.24 0.58 3.17 1.02 -1.26 -5.02 118.68 117.74 3hhw s LEU 18 Ca 0.02 -0.57 0.33 0.00 0.02 0.00 0.00 54.13 53.93 3hhw s LEU 18 Cb -0.10 -0.65 1.35 0.00 0.02 0.00 0.00 46.19 46.81 3hhw s LEU 18 CO 0.03 0.01 1.65 -0.65 0.02 0.00 0.00 176.35 177.40 3hhw h PRO 19 N 4.52 0.00 -6.87 1.29 0.11 -2.06 -3.46 132.00 125.54 3hhw h PRO 19 Ca -0.41 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.17 3hhw h PRO 19 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3hhw h PRO 19 CO 0.42 0.00 -0.99 0.00 -0.21 0.00 0.00 178.00 177.21 3hhw n ALA 20 N -2.48 -2.60 -2.60 -0.75 0.00 -1.26 -4.94 120.51 105.88 3hhw n ALA 20 Ca 0.21 -0.44 -0.38 0.00 0.00 0.00 0.00 53.44 52.83 3hhw n ALA 20 Cb 1.24 -1.66 -0.06 0.00 0.00 0.00 0.00 19.45 18.98 3hhw n ALA 20 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3hhw s ASN 21 N -3.33 6.79 -0.29 0.00 3.84 -1.26 -5.06 114.94 115.64 3hhw s ASN 21 Ca 0.27 0.95 0.03 0.00 0.21 0.00 0.00 52.86 54.32 3hhw s ASN 21 Cb -0.15 -2.30 0.18 0.00 -0.55 0.00 0.00 41.25 38.43 3hhw s ASN 21 CO 0.89 0.11 0.49 -1.83 -2.79 0.00 0.00 177.10 173.97 3hhw s GLU 22 N -0.03 0.48 -0.11 0.43 4.04 -1.26 -5.14 118.70 117.11 3hhw s GLU 22 Ca 0.27 0.35 -0.23 0.00 0.04 0.00 0.00 54.97 55.39 3hhw s GLU 22 Cb -0.16 -0.05 -0.03 0.00 0.02 0.00 0.00 34.13 33.91 3hhw s GLU 22 CO 0.13 -1.01 0.72 0.16 -1.84 0.00 0.00 175.26 173.42 3hhw s ASP 23 N 2.67 6.93 0.84 0.83 -4.77 -1.26 -5.07 116.67 116.84 3hhw s ASP 23 Ca 0.10 1.13 -0.12 0.00 -3.30 0.00 0.00 52.55 50.37 3hhw s ASP 23 Cb -0.12 -2.41 0.12 0.00 -1.09 0.00 0.00 42.92 39.42 3hhw s ASP 23 CO -0.28 -0.21 1.19 -2.16 0.70 0.00 0.00 175.17 174.41 3hhw s PRO 24 N 1.32 1.50 0.39 2.11 0.05 -1.26 -5.08 135.00 134.03 3hhw s PRO 24 Ca 0.36 -0.24 -0.03 0.00 0.05 0.00 0.00 61.00 61.14 3hhw s PRO 24 Cb -0.17 -1.98 -0.04 0.00 0.05 0.00 0.00 34.50 32.36 3hhw s PRO 24 CO 0.15 -1.81 0.65 0.14 0.05 0.00 0.00 177.00 176.18 3hhw s VAL 25 N -3.59 5.00 -0.26 -0.36 -7.23 -1.26 -4.91 120.40 107.79 3hhw s VAL 25 Ca 0.66 -0.07 0.02 0.00 -1.81 0.00 0.00 61.98 60.78 3hhw s VAL 25 Cb -0.08 -3.83 0.05 0.00 0.56 0.00 0.00 36.38 33.08 3hhw s VAL 25 CO 0.49 -0.62 -0.09 -1.61 -0.31 0.00 0.00 175.10 172.96 3hhw s GLU 26 N -4.31 2.36 0.36 4.82 2.02 -0.31 -4.98 118.70 118.67 3hhw s GLU 26 Ca 0.44 -1.28 -0.25 0.00 0.02 0.00 0.00 54.97 53.91 3hhw s GLU 26 Cb -0.10 -2.93 -0.10 0.00 0.10 0.00 0.00 34.13 31.10 3hhw s GLU 26 CO 0.38 -0.54 0.98 0.71 0.02 0.00 0.00 175.26 176.80 3hhw s TYR 27 N 1.16 3.50 0.44 1.61 2.02 -1.26 -4.50 117.35 120.31 3hhw s TYR 27 Ca -0.07 1.71 0.18 0.00 -0.37 0.00 0.00 57.07 58.52 3hhw s TYR 27 Cb -0.19 -2.97 1.11 0.00 -0.40 0.00 0.00 41.96 39.51 3hhw s TYR 27 CO -0.05 -0.09 2.00 -1.35 -1.57 0.00 0.00 175.55 174.50 3hhw h PRO 28 N 2.74 0.00 -0.38 -1.71 0.11 -1.93 -2.30 132.00 128.53 3hhw h PRO 28 Ca -0.48 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 3hhw h PRO 28 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3hhw h PRO 28 CO 0.63 0.18 -0.17 0.00 -0.21 0.00 0.00 178.00 178.43 3hhw h ALA 29 N 1.82 0.98 0.00 -0.75 0.00 -1.92 -2.93 119.26 116.46 3hhw h ALA 29 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hhw h ALA 29 Cb 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hhw h ALA 29 CO 0.02 0.60 0.00 -0.25 0.00 0.00 0.00 179.25 179.62 3hhw n ASP 30 N -4.14 0.05 -0.03 0.00 8.00 -0.87 -2.05 116.55 117.51 3hhw n ASP 30 Ca 0.01 0.52 -0.15 0.00 0.71 0.00 0.00 54.79 55.87 3hhw n ASP 30 Cb 0.39 -0.53 -0.12 0.00 -0.02 0.00 0.00 41.12 40.85 3hhw n ASP 30 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3hhw h TYR 31 N 0.00 0.16 0.00 1.24 3.20 -1.58 -3.32 116.97 116.66 3hhw h TYR 31 Ca 0.00 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3hhw h TYR 31 Cb 0.17 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.42 3hhw h TYR 31 CO 0.00 0.91 0.00 1.19 -1.64 0.00 0.00 178.16 178.62 3hhw n PHE 32 N -4.57 0.00 0.01 -3.82 3.72 -0.87 -2.19 117.46 109.73 3hhw n PHE 32 Ca -0.10 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.19 3hhw n PHE 32 Cb 0.48 -0.06 -0.14 0.00 -0.94 0.00 0.00 39.48 38.82 3hhw n PHE 32 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3hhw h ARG 33 N 0.08 0.08 -0.00 -1.08 9.65 -1.65 -3.41 114.38 118.05 3hhw h ARG 33 Ca 0.00 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 3hhw h ARG 33 Cb 0.30 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.93 3hhw h ARG 33 CO 0.00 0.77 -0.05 1.17 2.80 0.00 0.00 179.97 184.65 3hhw n LYS 34 N -3.22 6.27 -3.88 0.20 4.81 -0.93 -5.03 118.16 116.38 3hhw n LYS 34 Ca -0.17 -0.03 -0.11 0.00 -0.87 0.00 0.00 58.31 57.14 3hhw n LYS 34 Cb 1.03 -0.58 -0.10 0.00 0.02 0.00 0.00 35.03 35.40 3hhw n LYS 34 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3hhw s SER 35 N -1.07 0.03 -0.06 3.14 0.15 -1.03 -5.05 113.70 109.82 3hhw s SER 35 Ca 0.01 -0.19 0.08 0.00 0.70 0.00 0.00 55.95 56.55 3hhw s SER 35 Cb 0.01 0.20 0.12 0.00 -1.71 0.00 0.00 66.02 64.65 3hhw s SER 35 CO 0.05 -0.33 1.01 0.29 1.20 0.00 0.00 173.24 175.46 3hhw n LYS 36 N 1.62 1.53 -3.94 5.44 4.76 -1.26 -4.18 118.16 122.13 3hhw n LYS 36 Ca -0.22 -1.79 -0.10 0.00 -2.87 0.00 0.00 58.31 53.34 3hhw n LYS 36 Cb 0.56 -1.09 -0.10 0.00 -1.84 0.00 0.00 35.03 32.55 3hhw n LYS 36 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3hhw s GLU 37 N -1.56 0.47 -0.45 1.97 -1.05 -1.26 -5.04 118.70 111.77 3hhw s GLU 37 Ca 0.14 -0.63 -0.07 0.00 -0.15 0.00 0.00 54.97 54.26 3hhw s GLU 37 Cb 0.12 0.18 0.12 0.00 -0.44 0.00 0.00 34.13 34.11 3hhw s GLU 37 CO 0.01 -0.10 0.30 0.42 0.95 0.00 0.00 175.26 176.84 3hhw s ILE 38 N -1.93 3.92 0.06 1.83 1.01 -1.26 -4.98 121.20 119.85 3hhw s ILE 38 Ca -0.11 -1.87 -0.31 0.00 0.00 0.00 0.00 60.65 58.37 3hhw s ILE 38 Cb -0.05 -3.61 -0.06 0.00 0.01 0.00 0.00 42.46 38.74 3hhw s ILE 38 CO -0.02 -0.75 1.25 -2.16 0.00 0.00 0.00 174.94 173.26 3hhw s PRO 39 N 1.29 4.40 -0.35 2.79 0.04 -1.26 -2.72 135.00 139.20 3hhw s PRO 39 Ca 0.06 1.84 0.01 0.00 0.04 0.00 0.00 61.00 62.95 3hhw s PRO 39 Cb -0.25 -3.34 0.10 0.00 0.04 0.00 0.00 34.50 31.04 3hhw s PRO 39 CO -0.02 -0.32 0.08 -1.17 0.04 0.00 0.00 177.00 175.62 3hhw s LEU 40 N 1.18 4.74 -0.56 -3.56 2.96 -0.82 -4.95 118.68 117.66 3hhw s LEU 40 Ca 0.60 -1.99 -0.27 0.00 -0.22 0.00 0.00 54.13 52.25 3hhw s LEU 40 Cb -0.31 -1.69 0.03 0.00 0.50 0.00 0.00 46.19 44.72 3hhw s LEU 40 CO 0.29 -0.40 1.13 -0.31 -1.32 0.00 0.00 176.35 175.74 3hhw s TYR 41 N 1.02 2.67 -0.05 5.38 2.02 -1.26 -1.52 117.35 125.60 3hhw s TYR 41 Ca 0.07 0.35 0.02 0.00 -0.37 0.00 0.00 57.07 57.14 3hhw s TYR 41 Cb -0.20 -4.41 0.01 0.00 -0.40 0.00 0.00 41.96 36.96 3hhw s TYR 41 CO -0.06 -1.51 -0.10 0.96 -1.57 0.00 0.00 175.55 173.27 3hhw s ILE 42 N 4.69 0.98 -0.61 2.71 -4.36 -0.95 -4.53 121.20 119.12 3hhw s ILE 42 Ca 0.41 -0.40 -0.25 0.00 -0.26 0.00 0.00 60.65 60.14 3hhw s ILE 42 Cb -0.08 -0.91 0.04 0.00 1.25 0.00 0.00 42.46 42.76 3hhw s ILE 42 CO 0.25 0.32 1.07 0.21 0.24 0.00 0.00 174.94 177.02 3hhw s ASN 43 N 0.62 6.32 0.00 4.36 3.84 -1.26 -2.80 114.94 126.02 3hhw s ASN 43 Ca -0.12 -0.34 0.00 0.00 0.21 0.00 0.00 52.86 52.61 3hhw s ASN 43 Cb -0.14 -2.49 0.00 0.00 -0.55 0.00 0.00 41.25 38.07 3hhw s ASN 43 CO 0.03 -1.43 0.00 0.35 -2.79 0.00 0.00 177.10 173.26 3hhw n THR 44 N 6.32 0.00 0.00 -5.21 -2.24 -1.26 -4.67 114.28 107.21 3hhw n THR 44 Ca 0.03 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3hhw n THR 44 Cb 0.48 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 3hhw n THR 44 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3hhw n THR 45 N 0.00 0.00 -1.31 4.28 -1.04 -1.26 -4.71 114.28 110.25 3hhw n THR 45 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3hhw n THR 45 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3hhw n THR 45 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3hhw n LYS 46 N 10.72 0.00 -3.54 -2.82 4.76 -1.26 -4.96 118.16 121.06 3hhw n LYS 46 Ca 0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 3hhw n LYS 46 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 3hhw n LYS 46 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3hhw s SER 47 N -4.00 -0.41 0.09 4.39 0.01 -1.26 -5.02 113.70 107.49 3hhw s SER 47 Ca 0.00 0.30 -0.26 0.00 1.31 0.00 0.00 55.95 57.31 3hhw s SER 47 Cb 0.00 0.37 -0.15 0.00 0.21 0.00 0.00 66.02 66.45 3hhw s SER 47 CO 0.00 -0.48 1.70 0.25 0.41 0.00 0.00 173.24 175.12 3hhw h LEU 48 N 2.42 -0.27 -0.64 2.44 5.85 -1.98 -0.30 115.31 122.83 3hhw h LEU 48 Ca -0.21 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.38 3hhw h LEU 48 Cb 1.19 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 3hhw h LEU 48 CO 0.32 -0.18 -0.55 0.77 -0.34 0.00 0.00 178.44 178.46 3hhw h SER 49 N -0.28 0.41 -0.15 1.25 4.64 -1.97 0.26 113.55 117.71 3hhw h SER 49 Ca -0.02 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3hhw h SER 49 Cb 0.23 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 3hhw h SER 49 CO 0.01 0.88 0.09 -0.78 -0.87 0.00 0.00 176.83 176.17 3hhw h ASP 50 N 0.29 0.19 -0.35 4.97 1.82 -1.93 -1.91 116.42 119.49 3hhw h ASP 50 Ca 0.00 -0.06 -0.15 0.00 -0.39 0.00 0.00 57.03 56.43 3hhw h ASP 50 Cb 1.05 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 41.01 3hhw h ASP 50 CO 0.09 0.19 -0.37 -0.07 -1.61 0.00 0.00 179.24 177.47 3hhw h LEU 51 N 0.17 0.96 -2.77 2.28 3.38 -0.94 -2.50 115.31 115.89 3hhw h LEU 51 Ca 0.06 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3hhw h LEU 51 Cb 0.04 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3hhw h LEU 51 CO -0.01 1.22 0.01 -0.09 0.09 0.00 0.00 178.44 179.66 3hhw h ARG 52 N 0.74 0.00 0.11 1.13 2.43 -0.81 0.28 114.38 118.26 3hhw h ARG 52 Ca 0.06 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.93 3hhw h ARG 52 Cb 0.96 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 3hhw h ARG 52 CO 0.09 0.00 -1.56 0.78 -1.51 0.00 0.00 179.97 177.77 3hhw h GLY 53 N 0.00 0.26 0.96 2.80 0.00 -1.00 -3.09 103.07 103.00 3hhw h GLY 53 Ca 0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 47.33 46.54 3hhw h GLY 53 CO -0.00 0.59 -0.32 -0.97 0.00 0.00 0.00 176.54 175.84 3hhw h TYR 54 N 0.06 0.82 -0.12 5.60 0.05 -0.81 0.26 116.97 122.84 3hhw h TYR 54 Ca -0.25 -0.26 -0.17 0.00 0.05 0.00 0.00 58.73 58.09 3hhw h TYR 54 Cb 2.01 -0.17 0.01 0.00 1.01 0.00 0.00 36.73 39.59 3hhw h TYR 54 CO 0.06 1.01 -0.61 0.28 -1.05 0.00 0.00 178.16 177.85 3hhw h VAL 55 N 0.40 1.33 -0.79 -2.88 2.07 -1.16 -0.76 116.25 114.46 3hhw h VAL 55 Ca 0.03 -1.89 -0.04 0.00 0.82 0.00 0.00 66.70 65.63 3hhw h VAL 55 Cb 0.90 2.13 -0.04 0.00 -1.52 0.00 0.00 31.29 32.76 3hhw h VAL 55 CO 0.08 0.58 0.35 0.22 0.02 0.00 0.00 177.57 178.81 3hhw h TYR 56 N 0.27 1.16 0.21 1.57 3.20 -1.63 -1.12 116.97 120.62 3hhw h TYR 56 Ca -0.04 -0.07 -0.34 0.00 3.14 0.00 0.00 58.73 61.42 3hhw h TYR 56 Cb 1.25 -0.36 0.02 0.00 1.54 0.00 0.00 36.73 39.19 3hhw h TYR 56 CO 0.11 0.86 -1.61 0.37 -1.64 0.00 0.00 178.16 176.24 3hhw h GLN 57 N 1.14 0.45 -0.17 1.82 5.75 -1.60 -3.28 115.11 119.21 3hhw h GLN 57 Ca 0.27 -0.77 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 3hhw h GLN 57 Cb 0.16 0.29 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 3hhw h GLN 57 CO -0.03 1.36 0.11 0.78 -2.65 0.00 0.00 178.83 178.41 3hhw h GLY 58 N 0.54 0.24 1.55 2.39 0.00 -0.97 0.18 103.07 107.00 3hhw h GLY 58 Ca -0.30 -0.09 -0.18 0.00 0.00 0.00 0.00 47.33 46.77 3hhw h GLY 58 CO 0.22 0.09 -0.68 1.41 0.00 0.00 0.00 176.54 177.58 3hhw h LEU 59 N 0.23 0.53 -0.17 3.11 3.38 -1.33 -1.65 115.31 119.41 3hhw h LEU 59 Ca 0.06 -0.32 -0.23 0.00 0.09 0.00 0.00 57.88 57.48 3hhw h LEU 59 Cb -0.03 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.58 3hhw h LEU 59 CO -0.01 1.05 -0.92 0.11 0.09 0.00 0.00 178.44 178.75 3hhw h LYS 60 N 0.32 0.48 0.00 1.13 1.57 -1.32 -3.24 116.57 115.51 3hhw h LYS 60 Ca -0.02 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3hhw h LYS 60 Cb 1.24 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.68 3hhw h LYS 60 CO 0.12 1.14 -0.38 0.45 -0.57 0.00 0.00 179.45 180.21 3hhw n SER 61 N -3.78 0.42 -2.87 0.86 2.88 0.52 -4.97 113.62 106.68 3hhw n SER 61 Ca -0.07 0.02 -0.17 0.00 -1.33 0.00 0.00 58.87 57.32 3hhw n SER 61 Cb 0.82 0.01 0.06 0.00 -0.75 0.00 0.00 64.21 64.36 3hhw n SER 61 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hhw n GLY 62 N 1.47 -0.19 0.18 0.46 0.00 -0.67 -4.92 105.19 101.52 3hhw n GLY 62 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3hhw n GLY 62 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hhw n ASN 63 N -2.07 0.00 -4.71 1.61 6.94 -0.88 -5.03 115.26 111.13 3hhw n ASN 63 Ca -0.03 -1.31 -0.43 0.00 -0.02 0.00 0.00 54.58 52.79 3hhw n ASN 63 Cb 0.56 -0.06 -0.03 0.00 -2.36 0.00 0.00 39.78 37.89 3hhw n ASN 63 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 3hhw n VAL 64 N 0.00 0.13 -2.31 3.53 3.14 -0.99 -4.95 118.33 116.88 3hhw n VAL 64 Ca 0.00 -0.03 -0.40 0.00 -2.96 0.00 0.00 64.34 60.95 3hhw n VAL 64 Cb 0.56 -1.84 -0.03 0.00 -1.06 0.00 0.00 33.84 31.47 3hhw n VAL 64 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3hhw s SER 65 N 1.00 6.96 0.30 6.55 0.15 -1.26 -4.95 113.70 122.45 3hhw s SER 65 Ca 0.75 2.45 0.06 0.00 0.70 0.00 0.00 55.95 59.91 3hhw s SER 65 Cb -0.56 -2.63 0.48 0.00 -1.71 0.00 0.00 66.02 61.60 3hhw s SER 65 CO 0.36 -0.38 1.72 -0.29 1.20 0.00 0.00 173.24 175.85 3hhw h ILE 66 N 2.95 1.29 -0.39 6.45 6.09 -1.99 -2.77 117.51 129.14 3hhw h ILE 66 Ca -0.48 -1.43 0.07 0.00 -1.37 0.00 0.00 64.86 61.65 3hhw h ILE 66 Cb 1.22 1.61 -0.06 0.00 0.47 0.00 0.00 36.82 40.06 3hhw h ILE 66 CO 0.66 0.43 0.01 0.40 -3.07 0.00 0.00 178.15 176.58 3hhw h ILE 67 N 0.22 0.72 -0.58 2.19 5.03 -1.99 0.12 117.51 123.22 3hhw h ILE 67 Ca 0.02 -0.04 -0.06 0.00 -0.12 0.00 0.00 64.86 64.67 3hhw h ILE 67 Cb 0.76 0.59 -0.02 0.00 -3.03 0.00 0.00 36.82 35.12 3hhw h ILE 67 CO 0.06 0.02 0.13 0.45 -0.68 0.00 0.00 178.15 178.13 3hhw h HIS 68 N 0.12 0.98 -0.27 1.37 3.86 -1.93 -1.13 115.15 118.14 3hhw h HIS 68 Ca 0.19 -0.12 0.01 0.00 -1.16 0.00 0.00 60.37 59.29 3hhw h HIS 68 Cb 0.27 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 3hhw h HIS 68 CO -0.26 0.84 0.16 0.28 0.86 0.00 0.00 177.93 179.81 3hhw h VAL 69 N 0.84 1.03 -0.65 2.45 2.07 -1.18 -1.39 116.25 119.42 3hhw h VAL 69 Ca 0.18 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 3hhw h VAL 69 Cb 0.36 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3hhw h VAL 69 CO 0.00 0.06 0.23 0.78 0.02 0.00 0.00 177.57 178.66 3hhw h ASN 70 N 0.33 0.90 -0.11 0.57 2.35 -0.50 -1.17 115.58 117.94 3hhw h ASN 70 Ca 0.10 -0.14 -0.16 0.00 -0.55 0.00 0.00 56.30 55.56 3hhw h ASN 70 Cb -0.01 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 3hhw h ASN 70 CO -0.05 0.82 -0.47 0.28 -1.65 0.00 0.00 177.43 176.36 3hhw h SER 71 N 0.95 0.73 -0.29 5.81 0.02 -1.03 -2.53 113.55 117.21 3hhw h SER 71 Ca 0.22 -0.36 -0.15 0.00 -0.84 0.00 0.00 61.79 60.66 3hhw h SER 71 Cb 0.23 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 3hhw h SER 71 CO -0.01 1.09 -0.40 0.22 -1.14 0.00 0.00 176.83 176.59 3hhw h TYR 72 N 0.54 0.95 -0.75 3.45 3.20 -0.97 -2.44 116.97 120.96 3hhw h TYR 72 Ca 0.03 -0.31 -0.03 0.00 3.14 0.00 0.00 58.73 61.56 3hhw h TYR 72 Cb 1.02 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.07 3hhw h TYR 72 CO 0.05 1.10 0.36 -0.07 -1.64 0.00 0.00 178.16 177.96 3hhw h LEU 73 N 0.53 0.98 -0.39 2.82 3.38 -1.23 -2.54 115.31 118.86 3hhw h LEU 73 Ca 0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3hhw h LEU 73 Cb 0.99 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3hhw h LEU 73 CO 0.09 0.84 0.19 0.22 0.09 0.00 0.00 178.44 179.87 3hhw h TYR 74 N 1.05 0.55 0.00 1.13 3.20 -1.42 -2.32 116.97 119.16 3hhw h TYR 74 Ca 0.26 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 3hhw h TYR 74 Cb 0.12 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 3hhw h TYR 74 CO 0.01 0.46 -0.05 0.78 -1.64 0.00 0.00 178.16 177.72 3hhw h GLY 75 N 0.48 0.00 0.82 1.82 0.00 -1.26 -1.90 103.07 103.04 3hhw h GLY 75 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.16 3hhw h GLY 75 CO -0.02 0.00 -1.82 0.00 0.00 0.00 0.00 176.54 174.70 3hhw n ALA 76 N -2.27 1.47 0.23 3.60 0.00 -0.97 -4.21 120.51 118.36 3hhw n ALA 76 Ca -0.02 -0.84 0.09 0.00 0.00 0.00 0.00 53.44 52.66 3hhw n ALA 76 Cb 0.16 -0.75 0.15 0.00 0.00 0.00 0.00 19.45 19.01 3hhw n ALA 76 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hhw n LEU 77 N -3.02 2.93 -0.25 0.00 4.77 -0.90 -4.65 117.00 115.87 3hhw n LEU 77 Ca -0.20 -1.49 0.04 0.00 -0.03 0.00 0.00 56.01 54.33 3hhw n LEU 77 Cb 1.07 -0.18 0.17 0.00 -2.33 0.00 0.00 43.42 42.15 3hhw n LEU 77 CO 0.45 0.64 1.03 0.50 -1.33 0.00 0.00 177.39 178.67 3hhw h LYS 78 N 3.25 0.47 -0.10 3.23 3.64 -1.51 -3.22 116.57 122.33 3hhw h LYS 78 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3hhw h LYS 78 Cb 0.79 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3hhw h LYS 78 CO 0.00 0.31 0.00 -0.25 -2.27 0.00 0.00 179.45 177.24 3hhw n ASP 79 N -4.97 2.99 -4.69 4.20 8.00 -1.26 -4.80 116.55 116.02 3hhw n ASP 79 Ca 0.13 -1.95 -0.42 0.00 0.71 0.00 0.00 54.79 53.26 3hhw n ASP 79 Cb 0.38 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.40 3hhw n ASP 79 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hhw s ILE 80 N -1.79 3.10 0.13 0.53 1.01 -1.22 -5.01 121.20 117.95 3hhw s ILE 80 Ca 0.29 0.56 0.07 0.00 0.00 0.00 0.00 60.65 61.57 3hhw s ILE 80 Cb 0.19 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 3hhw s ILE 80 CO 0.29 0.00 -0.18 -0.13 0.00 0.00 0.00 174.94 174.92 3hhw s ARG 81 N 2.53 1.13 -0.10 2.79 1.81 -1.26 -3.75 118.95 122.09 3hhw s ARG 81 Ca 0.72 -1.25 -0.09 0.00 -1.72 0.00 0.00 55.73 53.40 3hhw s ARG 81 Cb -0.39 -1.21 0.03 0.00 -0.45 0.00 0.00 34.95 32.93 3hhw s ARG 81 CO 0.31 0.26 0.26 0.20 -0.68 0.00 0.00 175.30 175.65 3hhw s GLY 82 N -2.29 -0.19 -0.23 -3.53 0.00 -0.29 -4.95 107.32 95.84 3hhw s GLY 82 Ca 0.09 0.75 -0.17 0.00 0.00 0.00 0.00 44.72 45.40 3hhw s GLY 82 CO 0.05 0.68 0.44 1.25 0.00 0.00 0.00 173.10 175.52 3hhw s LYS 83 N 0.23 4.12 0.18 2.90 2.20 -1.26 -1.38 119.74 126.73 3hhw s LYS 83 Ca -0.01 0.23 -0.30 0.00 -0.36 0.00 0.00 55.97 55.54 3hhw s LYS 83 Cb -0.03 -3.59 -0.08 0.00 -1.51 0.00 0.00 37.83 32.63 3hhw s LYS 83 CO -0.00 -0.18 1.05 -0.51 -0.36 0.00 0.00 175.35 175.35 3hhw s LEU 84 N 1.76 4.52 -0.18 5.43 1.02 -1.26 -4.96 118.68 125.01 3hhw s LEU 84 Ca 0.20 2.04 -0.18 0.00 0.02 0.00 0.00 54.13 56.20 3hhw s LEU 84 Cb -0.15 -3.60 -0.22 0.00 0.02 0.00 0.00 46.19 42.24 3hhw s LEU 84 CO 0.09 -0.14 0.30 0.44 0.02 0.00 0.00 176.35 177.06 3hhw h ASP 85 N 4.93 0.12 -2.13 2.29 5.19 -1.92 -2.53 116.42 122.37 3hhw h ASP 85 Ca -0.44 -0.65 -0.51 0.00 -0.62 0.00 0.00 57.03 54.81 3hhw h ASP 85 Cb 1.21 -0.04 -0.05 0.00 0.18 0.00 0.00 39.33 40.63 3hhw h ASP 85 CO 0.71 1.57 -0.53 -0.54 -3.12 0.00 0.00 179.24 177.33 3hhw s LYS 86 N -2.41 2.81 0.59 3.56 -0.14 -1.26 -4.59 119.74 118.30 3hhw s LYS 86 Ca -0.26 -1.15 -0.16 0.00 -1.36 0.00 0.00 55.97 53.04 3hhw s LYS 86 Cb 0.06 -2.50 -0.04 0.00 -1.68 0.00 0.00 37.83 33.67 3hhw s LYS 86 CO 0.65 0.34 1.07 -0.51 -0.76 0.00 0.00 175.35 176.14 3hhw s ASP 87 N -3.85 5.70 -0.23 2.83 1.11 -1.26 -4.24 116.67 116.72 3hhw s ASP 87 Ca 0.34 1.89 0.00 0.00 0.18 0.00 0.00 52.55 54.97 3hhw s ASP 87 Cb -0.07 -2.54 0.06 0.00 1.07 0.00 0.00 42.92 41.44 3hhw s ASP 87 CO 0.25 -1.22 -0.02 0.86 1.18 0.00 0.00 175.17 176.21 3hhw s TRP 88 N -2.33 2.12 0.11 4.23 -0.00 0.12 -4.91 118.94 118.29 3hhw s TRP 88 Ca 0.65 -1.62 0.10 0.00 -0.00 0.00 0.00 56.10 55.24 3hhw s TRP 88 Cb -0.18 -1.52 -0.04 0.00 -0.00 0.00 0.00 33.47 31.74 3hhw s TRP 88 CO 0.35 -0.75 -0.27 -1.12 -0.00 0.00 0.00 176.95 175.16 3hhw s SER 89 N 1.49 3.25 -0.11 5.86 0.01 -1.26 -0.83 113.70 122.11 3hhw s SER 89 Ca -0.03 -0.71 -0.05 0.00 1.31 0.00 0.00 55.95 56.47 3hhw s SER 89 Cb -0.18 -0.23 0.05 0.00 0.21 0.00 0.00 66.02 65.87 3hhw s SER 89 CO -0.08 0.19 0.24 -0.55 0.41 0.00 0.00 173.24 173.45 3hhw s SER 90 N -1.86 0.12 -1.57 2.44 0.15 0.15 -4.90 113.70 108.23 3hhw s SER 90 Ca 0.13 0.52 -0.10 0.00 0.70 0.00 0.00 55.95 57.20 3hhw s SER 90 Cb -0.10 0.50 0.09 0.00 -1.71 0.00 0.00 66.02 64.79 3hhw s SER 90 CO 0.05 -0.20 0.64 0.49 1.20 0.00 0.00 173.24 175.42 3hhw n PHE 91 N 4.82 -1.75 0.00 3.44 3.72 -1.26 -0.88 117.46 125.55 3hhw n PHE 91 Ca -0.15 0.78 0.00 0.00 -0.05 0.00 0.00 57.45 58.03 3hhw n PHE 91 Cb 0.51 -3.36 0.00 0.00 -0.94 0.00 0.00 39.48 35.69 3hhw n PHE 91 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hhw n GLY 92 N -1.69 2.76 3.68 1.37 0.00 -1.26 -4.96 105.19 105.09 3hhw n GLY 92 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3hhw n GLY 92 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hhw s ILE 93 N -1.54 3.97 -0.94 -0.61 1.09 -0.06 -4.97 121.20 118.15 3hhw s ILE 93 Ca 0.00 1.30 -0.17 0.00 -1.10 0.00 0.00 60.65 60.67 3hhw s ILE 93 Cb 0.00 -3.83 0.15 0.00 -1.06 0.00 0.00 42.46 37.72 3hhw s ILE 93 CO 0.00 -0.03 1.09 0.20 -0.10 0.00 0.00 174.94 176.10 3hhw s ASN 94 N 1.89 6.71 0.29 3.58 0.01 -1.26 -0.68 114.94 125.48 3hhw s ASN 94 Ca 0.60 -2.28 0.01 0.00 -0.71 0.00 0.00 52.86 50.49 3hhw s ASN 94 Cb -0.28 -2.36 0.54 0.00 0.41 0.00 0.00 41.25 39.56 3hhw s ASN 94 CO 0.23 -0.93 1.88 0.40 -1.51 0.00 0.00 177.10 177.17 3hhw h ILE 95 N 5.49 1.00 -1.57 0.60 2.04 -1.35 -3.45 117.51 120.28 3hhw h ILE 95 Ca 0.16 -0.35 0.07 0.00 1.00 0.00 0.00 64.86 65.74 3hhw h ILE 95 Cb 1.01 -0.11 -0.26 0.00 -0.74 0.00 0.00 36.82 36.72 3hhw h ILE 95 CO 1.05 0.19 0.49 -0.83 0.00 0.00 0.00 178.15 179.05 3hhw s GLY 96 N -3.44 -0.14 0.46 5.37 0.00 -1.08 -5.01 107.32 103.47 3hhw s GLY 96 Ca -0.12 2.62 -0.04 0.00 0.00 0.00 0.00 44.72 47.18 3hhw s GLY 96 CO 0.80 1.71 0.75 0.54 0.00 0.00 0.00 173.10 176.90 3hhw s LYS 97 N 0.01 3.52 -0.08 2.90 -0.14 -1.26 0.15 119.74 124.84 3hhw s LYS 97 Ca 0.03 0.10 -0.31 0.00 -1.36 0.00 0.00 55.97 54.42 3hhw s LYS 97 Cb -0.04 -2.42 -0.09 0.00 -1.68 0.00 0.00 37.83 33.59 3hhw s LYS 97 CO -0.05 -0.15 2.01 0.00 -0.76 0.00 0.00 175.35 176.39 3hhw n ALA 98 N -2.18 1.36 0.00 5.17 0.00 -1.26 -3.21 120.51 120.39 3hhw n ALA 98 Ca -0.00 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3hhw n ALA 98 Cb 0.55 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.34 3hhw n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hhw n GLY 99 N 4.86 2.21 3.68 0.00 0.00 -0.96 -4.97 105.19 110.02 3hhw n GLY 99 Ca 0.24 -0.69 -0.45 0.00 0.00 0.00 0.00 46.02 45.12 3hhw n GLY 99 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hhw n ASP 100 N 0.00 3.76 -4.75 1.61 5.75 -1.20 -4.23 116.55 117.50 3hhw n ASP 100 Ca 0.00 0.98 -0.40 0.00 -0.01 0.00 0.00 54.79 55.35 3hhw n ASP 100 Cb 0.00 -1.47 -0.05 0.00 -1.03 0.00 0.00 41.12 38.57 3hhw n ASP 100 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3hhw s THR 101 N 3.30 3.89 0.08 2.12 -4.23 -1.26 -4.22 115.64 115.32 3hhw s THR 101 Ca 0.87 1.78 0.04 0.00 -1.18 0.00 0.00 61.69 63.19 3hhw s THR 101 Cb -0.56 -4.13 -0.03 0.00 1.34 0.00 0.00 72.50 69.11 3hhw s THR 101 CO 0.43 0.37 -0.12 -0.51 -0.54 0.00 0.00 174.62 174.26 3hhw s ILE 102 N -0.77 0.99 0.55 2.99 2.07 -0.48 -4.89 121.20 121.66 3hhw s ILE 102 Ca 0.45 -1.47 0.07 0.00 -1.41 0.00 0.00 60.65 58.29 3hhw s ILE 102 Cb -0.28 -1.19 0.10 0.00 0.13 0.00 0.00 42.46 41.21 3hhw s ILE 102 CO 0.35 -0.42 0.76 0.61 -1.91 0.00 0.00 174.94 174.34 3hhw n GLY 103 N 0.90 1.66 0.34 1.50 0.00 -1.26 -1.14 105.19 107.20 3hhw n GLY 103 Ca -0.18 -2.17 -0.03 0.00 0.00 0.00 0.00 46.02 43.64 3hhw n GLY 103 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hhw h ILE 104 N -0.07 1.22 -0.83 -0.61 2.04 -1.83 -3.32 117.51 114.11 3hhw h ILE 104 Ca -0.26 -0.41 -0.72 0.00 1.00 0.00 0.00 64.86 64.47 3hhw h ILE 104 Cb 1.12 -0.10 -0.08 0.00 -0.74 0.00 0.00 36.82 37.02 3hhw h ILE 104 CO 0.34 0.22 2.81 0.49 0.00 0.00 0.00 178.15 182.01 3hhw n PHE 105 N -4.47 2.59 0.07 1.37 3.72 -1.26 -4.62 117.46 114.86 3hhw n PHE 105 Ca 0.10 -2.90 -0.12 0.00 -0.05 0.00 0.00 57.45 54.48 3hhw n PHE 105 Cb 0.03 -2.04 -0.05 0.00 -0.94 0.00 0.00 39.48 36.48 3hhw n PHE 105 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 3hhw h ASP 106 N 4.80 -0.91 -2.90 4.37 3.04 -1.98 -3.45 116.42 119.40 3hhw h ASP 106 Ca 0.73 0.12 -0.59 0.00 -3.24 0.00 0.00 57.03 54.05 3hhw h ASP 106 Cb 0.32 0.36 0.15 0.00 -1.04 0.00 0.00 39.33 39.13 3hhw h ASP 106 CO 1.58 -0.38 -0.19 0.00 -2.04 0.00 0.00 179.24 178.22 3hhw n LEU 107 N -5.41 1.40 -4.55 0.15 -0.00 -1.26 -4.75 117.00 102.58 3hhw n LEU 107 Ca -0.05 0.87 -0.38 0.00 -0.00 0.00 0.00 56.01 56.44 3hhw n LEU 107 Cb 0.32 -1.23 -0.03 0.00 -0.00 0.00 0.00 43.42 42.48 3hhw n LEU 107 CO 0.20 -2.46 1.63 -0.69 -0.00 0.00 0.00 177.39 176.08 3hhw s VAL 108 N -1.51 3.34 -0.59 1.47 1.01 -1.10 -4.85 120.40 118.16 3hhw s VAL 108 Ca 0.67 0.20 -0.28 0.00 0.00 0.00 0.00 61.98 62.57 3hhw s VAL 108 Cb -0.51 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.02 3hhw s VAL 108 CO 0.55 -0.83 1.26 -0.94 0.00 0.00 0.00 175.10 175.14 3hhw s SER 109 N 8.28 6.33 0.69 3.32 1.04 -1.26 -1.95 113.70 130.15 3hhw s SER 109 Ca 0.70 0.10 0.02 0.00 0.48 0.00 0.00 55.95 57.24 3hhw s SER 109 Cb -0.13 -2.55 0.13 0.00 0.10 0.00 0.00 66.02 63.56 3hhw s SER 109 CO 0.22 -1.58 0.91 0.18 0.98 0.00 0.00 173.24 173.95 3hhw n LEU 110 N 8.84 0.00 -4.53 2.42 4.77 -0.58 -4.90 117.00 123.03 3hhw n LEU 110 Ca 0.09 -2.08 -0.34 0.00 -0.03 0.00 0.00 56.01 53.66 3hhw n LEU 110 Cb 0.49 -0.57 -0.12 0.00 -2.33 0.00 0.00 43.42 40.89 3hhw n LEU 110 CO 0.71 -0.91 -0.36 -0.54 -1.33 0.00 0.00 177.39 174.96 3hhw s LYS 111 N -4.87 3.40 0.75 3.23 -0.14 -1.26 -2.25 119.74 118.59 3hhw s LYS 111 Ca 0.62 -0.52 -0.12 0.00 -1.36 0.00 0.00 55.97 54.58 3hhw s LYS 111 Cb -0.04 -2.82 0.05 0.00 -1.68 0.00 0.00 37.83 33.34 3hhw s LYS 111 CO 0.41 0.38 1.11 0.00 -0.76 0.00 0.00 175.35 176.48 3hhw s ALA 112 N -0.01 2.24 1.15 5.17 0.00 -1.12 -4.72 121.76 124.47 3hhw s ALA 112 Ca 0.01 0.43 -0.14 0.00 0.00 0.00 0.00 51.96 52.26 3hhw s ALA 112 Cb -0.13 -3.32 0.25 0.00 0.00 0.00 0.00 23.12 19.92 3hhw s ALA 112 CO 0.03 -1.71 0.85 1.47 0.00 0.00 0.00 175.76 176.39 3hhw n LEU 113 N -3.18 -1.27 -4.40 0.00 -0.00 -1.26 -4.79 117.00 102.09 3hhw n LEU 113 Ca 0.10 -0.11 -0.30 0.00 -0.00 0.00 0.00 56.01 55.70 3hhw n LEU 113 Cb 0.52 -1.22 0.27 0.00 -0.00 0.00 0.00 43.42 42.99 3hhw n LEU 113 CO 0.51 -3.20 0.47 -1.81 -0.00 0.00 0.00 177.39 173.35 3hhw s ASP 114 N -2.31 -0.16 -0.01 1.45 1.01 -1.26 -4.64 116.67 110.74 3hhw s ASP 114 Ca 0.66 1.04 -0.01 0.00 0.71 0.00 0.00 52.55 54.95 3hhw s ASP 114 Cb -0.23 -1.54 0.00 0.00 1.01 0.00 0.00 42.92 42.16 3hhw s ASP 114 CO 0.65 -4.83 0.02 0.61 0.21 0.00 0.00 175.17 171.82 3hhw n GLY 115 N 0.88 0.00 3.75 0.21 0.00 -1.26 -4.84 105.19 103.94 3hhw n GLY 115 Ca 0.09 0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3hhw n GLY 115 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hhw s VAL 116 N -0.31 2.15 0.11 1.61 -7.23 -1.26 -4.94 120.40 110.52 3hhw s VAL 116 Ca 0.01 0.13 -0.22 0.00 -1.81 0.00 0.00 61.98 60.09 3hhw s VAL 116 Cb -0.00 -3.08 -0.09 0.00 0.56 0.00 0.00 36.38 33.77 3hhw s VAL 116 CO 0.02 0.02 1.71 -0.07 -0.31 0.00 0.00 175.10 176.48 3hhw h LEU 117 N 4.74 -0.15 -9.42 1.32 3.38 -1.98 -3.41 115.31 109.79 3hhw h LEU 117 Ca -0.47 0.03 -0.55 0.00 0.09 0.00 0.00 57.88 56.99 3hhw h LEU 117 Cb 1.22 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 3hhw h LEU 117 CO 0.78 -0.07 0.24 -2.16 0.09 0.00 0.00 178.44 177.32 3hhw s PRO 118 N -6.19 4.52 -0.26 1.13 0.05 -1.26 -4.95 135.00 128.04 3hhw s PRO 118 Ca -0.13 1.18 0.13 0.00 0.05 0.00 0.00 61.00 62.23 3hhw s PRO 118 Cb 0.08 -3.44 0.47 0.00 0.05 0.00 0.00 34.50 31.67 3hhw s PRO 118 CO 0.67 0.06 1.17 -3.47 0.05 0.00 0.00 177.00 175.48 3hhw n ASP 119 N 3.62 3.53 -1.73 6.66 2.03 -1.26 -5.07 116.55 124.32 3hhw n ASP 119 Ca 0.02 -3.19 0.01 0.00 0.52 0.00 0.00 54.79 52.15 3hhw n ASP 119 Cb 0.51 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 3hhw n ASP 119 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hhw n GLY 120 N -0.66 0.56 2.35 0.27 0.00 -1.26 -5.10 105.19 101.35 3hhw n GLY 120 Ca 0.30 -0.89 -0.01 0.00 0.00 0.00 0.00 46.02 45.41 3hhw n GLY 120 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hhw n VAL 121 N -0.24 -8.79 -3.98 1.61 0.31 -1.26 -5.02 118.33 100.97 3hhw n VAL 121 Ca 0.01 1.16 -0.08 0.00 -0.01 0.00 0.00 64.34 65.42 3hhw n VAL 121 Cb 0.15 -6.06 -0.09 0.00 -0.91 0.00 0.00 33.84 26.93 3hhw n VAL 121 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3hhw s SER 122 N -1.29 0.31 -0.62 4.52 0.15 -1.26 -4.50 113.70 111.01 3hhw s SER 122 Ca 0.03 -0.78 0.04 0.00 0.70 0.00 0.00 55.95 55.95 3hhw s SER 122 Cb -0.01 0.24 0.16 0.00 -1.71 0.00 0.00 66.02 64.70 3hhw s SER 122 CO 0.54 -0.60 0.42 -0.62 1.20 0.00 0.00 173.24 174.17 3hhw s ASP 123 N -2.66 4.20 0.45 5.45 -1.08 0.07 -4.94 116.67 118.15 3hhw s ASP 123 Ca 0.03 -3.53 0.18 0.00 -0.52 0.00 0.00 52.55 48.71 3hhw s ASP 123 Cb 0.04 -1.43 1.04 0.00 -1.46 0.00 0.00 42.92 41.11 3hhw s ASP 123 CO -0.09 -0.13 1.96 0.00 0.52 0.00 0.00 175.17 177.43 3hhw h ALA 124 N 5.70 1.48 -0.27 3.66 0.00 -1.92 -3.34 119.26 124.57 3hhw h ALA 124 Ca 0.12 -0.20 -0.72 0.00 0.00 0.00 0.00 54.91 54.10 3hhw h ALA 124 Cb 0.81 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 3hhw h ALA 124 CO 0.65 0.28 2.81 0.43 0.00 0.00 0.00 179.25 183.42 3hhw n SER 125 N -4.06 4.31 -3.84 0.00 7.64 -1.26 -4.89 113.62 111.53 3hhw n SER 125 Ca -0.02 -2.92 -0.17 0.00 1.01 0.00 0.00 58.87 56.77 3hhw n SER 125 Cb 0.29 -1.60 -0.16 0.00 -1.01 0.00 0.00 64.21 61.73 3hhw n SER 125 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3hhw s ARG 126 N 2.32 0.36 0.00 1.43 1.81 -1.25 -5.16 118.95 118.45 3hhw s ARG 126 Ca 0.45 0.04 0.00 0.00 -1.72 0.00 0.00 55.73 54.50 3hhw s ARG 126 Cb 0.13 -0.50 0.00 0.00 -0.45 0.00 0.00 34.95 34.13 3hhw s ARG 126 CO -0.06 -0.11 0.00 -2.37 -0.68 0.00 0.00 175.30 172.08 3hhw n THR 127 N 4.01 0.00 -1.01 0.02 5.66 -1.26 -4.92 114.28 116.78 3hhw n THR 127 Ca -0.26 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.55 3hhw n THR 127 Cb 0.51 -1.15 0.02 0.00 -1.55 0.00 0.00 70.33 68.16 3hhw n THR 127 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3hhw n SER 128 N -2.84 6.52 -0.78 1.09 7.64 -1.26 -4.53 113.62 119.46 3hhw n SER 128 Ca 0.00 -3.12 0.01 0.00 1.01 0.00 0.00 58.87 56.77 3hhw n SER 128 Cb 0.00 -1.09 0.06 0.00 -1.01 0.00 0.00 64.21 62.17 3hhw n SER 128 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hhw n ALA 129 N 0.40 2.76 -1.00 -0.43 0.00 -1.26 -4.50 120.51 116.48 3hhw n ALA 129 Ca 0.35 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3hhw n ALA 129 Cb 0.58 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.00 3hhw n ALA 129 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hhw n ASP 130 N 0.12 0.00 0.13 0.00 5.68 -1.26 -3.56 116.55 117.65 3hhw n ASP 130 Ca 0.05 0.23 0.04 0.00 -0.50 0.00 0.00 54.79 54.61 3hhw n ASP 130 Cb 0.43 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.64 3hhw n ASP 130 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3hhw n ASP 131 N -0.41 0.21 -0.05 -1.12 2.03 -1.26 -1.72 116.55 114.24 3hhw n ASP 131 Ca 0.00 0.44 -0.13 0.00 0.52 0.00 0.00 54.79 55.62 3hhw n ASP 131 Cb 0.00 -0.37 -0.11 0.00 -0.72 0.00 0.00 41.12 39.91 3hhw n ASP 131 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3hhw h LYS 132 N 0.00 -0.01 0.00 -0.67 1.79 -1.85 -3.46 116.57 112.37 3hhw h LYS 132 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3hhw h LYS 132 Cb 0.70 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 3hhw h LYS 132 CO 0.00 0.77 0.00 -2.67 -1.08 0.00 0.00 179.45 176.47 3hhw n TRP 133 N -4.70 0.00 -0.21 -1.35 4.27 -0.70 -4.83 117.44 109.91 3hhw n TRP 133 Ca -0.09 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.43 3hhw n TRP 133 Cb 0.39 0.00 0.03 0.00 -1.36 0.00 0.00 31.31 30.36 3hhw n TRP 133 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 3hhw h LEU 134 N 0.00 0.98 -0.49 5.67 5.85 -1.65 -2.65 115.31 123.03 3hhw h LEU 134 Ca 0.00 -0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.36 3hhw h LEU 134 Cb 0.00 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3hhw h LEU 134 CO 0.00 1.01 -0.02 -0.65 -0.34 0.00 0.00 178.44 178.43 3hhw h PRO 135 N 0.92 0.88 -0.64 5.25 0.11 -1.91 -1.96 132.00 134.64 3hhw h PRO 135 Ca 0.18 -0.29 0.04 0.00 0.11 0.00 0.00 66.00 66.04 3hhw h PRO 135 Cb 0.46 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.46 3hhw h PRO 135 CO 0.02 0.93 0.42 1.25 -0.21 0.00 0.00 178.00 180.40 3hhw h LEU 136 N 0.73 0.62 -0.29 2.35 6.46 -1.91 0.01 115.31 123.29 3hhw h LEU 136 Ca 0.13 -0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.85 3hhw h LEU 136 Cb 0.55 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 3hhw h LEU 136 CO 0.03 0.42 0.02 0.22 -0.62 0.00 0.00 178.44 178.51 3hhw h TYR 137 N 0.72 0.55 -0.10 1.25 3.20 -1.20 -2.08 116.97 119.30 3hhw h TYR 137 Ca 0.26 -0.09 -0.12 0.00 3.14 0.00 0.00 58.73 61.93 3hhw h TYR 137 Cb 0.14 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 3hhw h TYR 137 CO -0.00 0.63 -0.45 -0.07 -1.64 0.00 0.00 178.16 176.62 3hhw h LEU 138 N 0.31 0.25 -0.72 2.82 3.38 -0.67 -2.64 115.31 118.05 3hhw h LEU 138 Ca 0.09 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 3hhw h LEU 138 Cb 0.40 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3hhw h LEU 138 CO 0.01 0.68 -0.55 -0.07 0.09 0.00 0.00 178.44 178.60 3hhw h LEU 139 N 0.19 0.29 -0.13 1.67 3.38 -0.98 -3.13 115.31 116.62 3hhw h LEU 139 Ca 0.01 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3hhw h LEU 139 Cb 0.88 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3hhw h LEU 139 CO 0.07 0.78 0.00 1.23 0.09 0.00 0.00 178.44 180.61 3hhw h GLY 140 N 1.38 0.00 1.85 0.83 0.00 -1.20 -3.20 103.07 102.73 3hhw h GLY 140 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hhw h GLY 140 CO 0.09 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.67 3hhw n LEU 141 N -2.52 0.00 -0.07 3.11 4.77 -1.01 -0.27 117.00 121.01 3hhw n LEU 141 Ca 0.05 0.42 -0.13 0.00 -0.03 0.00 0.00 56.01 56.32 3hhw n LEU 141 Cb 0.43 -0.42 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 3hhw n LEU 141 CO 0.30 -0.09 0.64 0.22 -1.33 0.00 0.00 177.39 177.13 3hhw h TYR 142 N 0.00 0.50 -0.08 -1.77 3.20 -1.70 -1.64 116.97 115.49 3hhw h TYR 142 Ca 0.00 -0.14 -0.03 0.00 3.14 0.00 0.00 58.73 61.70 3hhw h TYR 142 Cb 0.34 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 3hhw h TYR 142 CO 0.00 0.75 -0.07 -0.09 -1.64 0.00 0.00 178.16 177.12 3hhw h ARG 143 N 0.11 0.18 -0.28 1.82 2.43 -1.23 -3.30 114.38 114.10 3hhw h ARG 143 Ca 0.04 -0.09 -0.16 0.00 -0.81 0.00 0.00 59.98 58.95 3hhw h ARG 143 Cb 0.64 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3hhw h ARG 143 CO 0.04 0.60 -0.48 0.28 -1.51 0.00 0.00 179.97 178.90 3hhw h VAL 144 N -0.24 1.29 -1.03 0.20 2.07 -0.76 -3.37 116.25 114.42 3hhw h VAL 144 Ca 0.01 -1.67 -0.72 0.00 0.82 0.00 0.00 66.70 65.14 3hhw h VAL 144 Cb 0.56 1.58 -0.11 0.00 -1.52 0.00 0.00 31.29 31.80 3hhw h VAL 144 CO 0.02 0.54 2.44 0.61 0.02 0.00 0.00 177.57 181.20 3hhw n GLY 145 N 0.21 5.07 0.00 2.17 0.00 -0.62 -3.68 105.19 108.34 3hhw n GLY 145 Ca -0.03 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.01 3hhw n GLY 145 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hhw n ARG 146 N 1.86 0.00 -2.19 1.61 1.85 -1.26 -3.94 116.66 114.60 3hhw n ARG 146 Ca 0.63 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 57.06 3hhw n ARG 146 Cb 0.26 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.65 3hhw n ARG 146 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 3hhw s THR 147 N 0.00 3.68 -0.12 8.89 -1.32 -1.24 -4.92 115.64 120.60 3hhw s THR 147 Ca 0.00 1.03 0.17 0.00 -1.21 0.00 0.00 61.69 61.68 3hhw s THR 147 Cb 0.00 -3.66 -0.22 0.00 -1.51 0.00 0.00 72.50 67.10 3hhw s THR 147 CO 0.00 -0.02 0.46 1.67 -2.21 0.00 0.00 174.62 174.52 3hhw n GLN 148 N 5.69 0.65 -2.40 7.08 -0.06 -1.26 -4.91 117.38 122.19 3hhw n GLN 148 Ca 0.14 0.11 -0.35 0.00 -2.00 0.00 0.00 57.00 54.89 3hhw n GLN 148 Cb 0.43 -1.66 -0.02 0.00 -4.06 0.00 0.00 30.24 24.93 3hhw n GLN 148 CO 0.00 0.00 0.00 -1.64 -0.20 0.00 0.00 177.06 175.22 3hhw s MET 149 N -2.75 3.72 -0.93 3.69 -1.94 -1.26 -4.87 119.30 114.95 3hhw s MET 149 Ca -0.07 1.55 -0.23 0.00 -1.71 0.00 0.00 55.69 55.24 3hhw s MET 149 Cb 0.08 -2.21 -0.20 0.00 2.01 0.00 0.00 34.83 34.51 3hhw s MET 149 CO 0.83 -0.54 1.96 -2.30 -0.01 0.00 0.00 175.02 174.97 3hhw n PRO 150 N -0.81 0.08 -2.80 2.03 -0.02 -1.26 -4.57 135.00 127.65 3hhw n PRO 150 Ca 0.09 -1.44 -0.09 0.00 -2.02 0.00 0.00 63.50 60.03 3hhw n PRO 150 Cb 0.51 -3.51 0.03 0.00 -0.02 0.00 0.00 33.50 30.50 3hhw n PRO 150 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3hhw n GLU 151 N 7.60 0.74 -0.00 -0.52 2.13 -1.26 -4.96 120.64 124.37 3hhw n GLU 151 Ca 0.35 -1.92 0.05 0.00 0.66 0.00 0.00 57.16 56.29 3hhw n GLU 151 Cb 0.47 -1.45 -0.07 0.00 0.27 0.00 0.00 31.44 30.66 3hhw n GLU 151 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3hhw n TYR 152 N 1.80 0.00 0.06 4.31 4.01 -1.26 -4.43 117.16 121.65 3hhw n TYR 152 Ca 0.11 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.79 3hhw n TYR 152 Cb 0.61 -0.20 -0.11 0.00 -0.31 0.00 0.00 39.34 39.33 3hhw n TYR 152 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 3hhw h ARG 153 N 0.00 0.00 0.05 -0.72 0.11 -1.98 -3.25 114.38 108.59 3hhw h ARG 153 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hhw h ARG 153 Cb 0.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 3hhw h ARG 153 CO 0.00 0.87 -0.02 -0.22 0.10 0.00 0.00 179.97 180.69 3hhw h LYS 154 N 0.00 -0.06 0.00 0.08 1.63 -1.97 -2.59 116.57 113.66 3hhw h LYS 154 Ca -0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 3hhw h LYS 154 Cb 1.76 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.41 3hhw h LYS 154 CO 0.11 0.57 0.00 1.63 -3.45 0.00 0.00 179.45 178.32 3hhw n LYS 155 N -4.77 0.02 -0.12 1.90 5.02 -1.26 -2.51 118.16 116.44 3hhw n LYS 155 Ca -0.08 0.15 -0.16 0.00 -2.02 0.00 0.00 58.31 56.20 3hhw n LYS 155 Cb 0.32 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.71 3hhw n LYS 155 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3hhw n LEU 156 N -1.49 2.26 -0.14 -0.35 0.00 -1.22 -4.00 117.00 112.06 3hhw n LEU 156 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 56.01 55.92 3hhw n LEU 156 Cb 0.23 -0.56 0.17 0.00 0.00 0.00 0.00 43.42 43.27 3hhw n LEU 156 CO 0.19 0.83 0.96 -0.03 0.00 0.00 0.00 177.39 179.33 3hhw h MET 157 N 0.00 0.85 -0.35 1.96 4.05 -1.41 -1.30 114.93 118.72 3hhw h MET 157 Ca -0.56 -0.18 -0.10 0.00 -0.28 0.00 0.00 59.70 58.57 3hhw h MET 157 Cb 1.97 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 32.63 3hhw h MET 157 CO -0.06 0.78 -0.20 0.22 0.23 0.00 0.00 176.91 177.87 3hhw h ASP 158 N 0.81 0.68 1.20 1.39 -0.00 -1.70 -2.92 116.42 115.89 3hhw h ASP 158 Ca 0.17 -0.23 -0.11 0.00 -0.00 0.00 0.00 57.03 56.86 3hhw h ASP 158 Cb 0.33 -0.18 -0.02 0.00 -0.00 0.00 0.00 39.33 39.45 3hhw h ASP 158 CO 0.00 0.88 -0.54 1.23 -0.00 0.00 0.00 179.24 180.81 3hhw h GLY 159 N 0.98 0.00 0.31 -0.78 0.00 -1.65 -3.16 103.07 98.79 3hhw h GLY 159 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3hhw h GLY 159 CO 0.05 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.63 3hhw n LEU 160 N -3.35 0.51 -0.00 3.11 4.77 -0.51 -3.53 117.00 118.00 3hhw n LEU 160 Ca 0.01 -0.19 -0.13 0.00 -0.03 0.00 0.00 56.01 55.67 3hhw n LEU 160 Cb 0.70 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.76 3hhw n LEU 160 CO 0.40 0.10 0.37 0.74 -1.33 0.00 0.00 177.39 177.67 3hhw h THR 161 N 0.73 1.32 0.00 -5.08 2.02 -1.48 -3.10 112.91 107.32 3hhw h THR 161 Ca 0.00 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 65.24 3hhw h THR 161 Cb 0.16 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 3hhw h THR 161 CO 0.00 0.60 0.00 0.78 0.37 0.00 0.00 175.52 177.27 3hhw h ASN 162 N 0.45 0.00 0.47 4.18 4.21 -1.77 -2.50 115.58 120.62 3hhw h ASN 162 Ca -0.02 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.38 3hhw h ASN 162 Cb 1.26 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.45 3hhw h ASN 162 CO 0.13 0.00 -0.49 1.56 -1.29 0.00 0.00 177.43 177.34 3hhw h GLN 163 N 0.00 0.03 0.00 0.81 7.50 -1.70 -2.84 115.11 118.91 3hhw h GLN 163 Ca 0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 58.65 59.12 3hhw h GLN 163 Cb 0.62 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.15 3hhw h GLN 163 CO 0.00 0.51 -0.64 0.00 -1.50 0.00 0.00 178.83 177.20 3hhw n LYS 165 N -2.87 0.18 -0.05 0.00 5.02 -0.98 -4.43 118.16 115.03 3hhw n LYS 165 Ca 0.01 0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.27 3hhw n LYS 165 Cb 0.57 -1.64 -0.04 0.00 -0.02 0.00 0.00 35.03 33.90 3hhw n LYS 165 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 3hhw n MET 166 N -1.92 0.23 0.00 1.97 1.56 -1.09 -5.07 117.12 112.80 3hhw n MET 166 Ca 0.05 0.10 0.00 0.00 -0.27 0.00 0.00 57.70 57.58 3hhw n MET 166 Cb 0.40 -0.89 0.00 0.00 2.15 0.00 0.00 33.22 34.88 3hhw n MET 166 CO 0.00 0.00 0.00 1.51 -0.73 0.00 0.00 175.97 176.75 3hhw n ILE 167 N -3.51 0.00 -1.65 1.12 3.06 -1.23 -5.09 119.36 112.06 3hhw n ILE 167 Ca -0.21 0.00 -0.39 0.00 -2.50 0.00 0.00 62.75 59.64 3hhw n ILE 167 Cb 0.64 0.00 0.03 0.00 0.54 0.00 0.00 39.64 40.86 3hhw n ILE 167 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 3hhw n ASN 168 N 0.00 1.54 -4.60 9.51 4.13 -1.26 -4.30 115.26 120.28 3hhw n ASN 168 Ca 0.00 0.94 -0.43 0.00 1.68 0.00 0.00 54.58 56.77 3hhw n ASN 168 Cb 0.00 -1.43 -0.02 0.00 -1.54 0.00 0.00 39.78 36.78 3hhw n ASN 168 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3hhw s GLU 169 N -2.52 3.68 0.01 3.52 2.02 -1.26 -4.56 118.70 119.58 3hhw s GLU 169 Ca 0.70 0.53 0.01 0.00 0.02 0.00 0.00 54.97 56.23 3hhw s GLU 169 Cb -0.46 -3.93 -0.01 0.00 0.10 0.00 0.00 34.13 29.83 3hhw s GLU 169 CO 0.52 -1.44 -0.04 -0.65 0.02 0.00 0.00 175.26 173.66 3hhw s GLN 170 N 4.57 0.33 0.21 1.61 -0.21 -1.26 -5.05 119.66 119.86 3hhw s GLN 170 Ca 0.48 -0.27 0.08 0.00 0.02 0.00 0.00 55.36 55.68 3hhw s GLN 170 Cb -0.07 -0.26 -0.04 0.00 1.00 0.00 0.00 33.01 33.64 3hhw s GLN 170 CO 0.31 0.06 -0.01 -0.06 -2.12 0.00 0.00 175.29 173.47 3hhw s PHE 171 N -0.40 2.76 0.00 0.91 0.40 -1.26 -4.99 117.98 115.41 3hhw s PHE 171 Ca -0.02 -0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.13 3hhw s PHE 171 Cb -0.03 -1.29 0.00 0.00 0.51 0.00 0.00 43.02 42.20 3hhw s PHE 171 CO -0.00 0.55 0.04 0.39 0.70 0.00 0.00 175.22 176.90 3hhw n GLU 172 N -0.42 1.30 -1.67 0.44 1.02 -1.26 -5.12 120.64 114.93 3hhw n GLU 172 Ca -0.09 -0.04 -0.31 0.00 -0.02 0.00 0.00 57.16 56.70 3hhw n GLU 172 Cb 0.57 -0.29 0.04 0.00 -0.02 0.00 0.00 31.44 31.74 3hhw n GLU 172 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3hhw s PRO 173 N -0.20 3.07 0.09 3.49 0.04 -1.26 -4.58 135.00 135.65 3hhw s PRO 173 Ca 0.00 0.85 0.07 0.00 0.04 0.00 0.00 61.00 61.96 3hhw s PRO 173 Cb 0.00 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 3hhw s PRO 173 CO 0.00 -0.97 -0.13 -0.51 0.04 0.00 0.00 177.00 175.43 3hhw s LEU 174 N -5.44 2.92 -0.01 -3.56 1.43 -1.26 -5.03 118.68 107.72 3hhw s LEU 174 Ca 0.57 -0.42 -0.23 0.00 -1.03 0.00 0.00 54.13 53.03 3hhw s LEU 174 Cb -0.13 -1.73 -0.15 0.00 0.03 0.00 0.00 46.19 44.22 3hhw s LEU 174 CO 0.54 0.19 1.03 0.58 0.23 0.00 0.00 176.35 178.93 3hhw h VAL 175 N 3.44 0.56 0.00 -1.59 2.07 -1.98 -3.27 116.25 115.49 3hhw h VAL 175 Ca -0.49 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.32 3hhw h VAL 175 Cb 1.17 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3hhw h VAL 175 CO 0.50 0.11 -0.19 1.55 0.02 0.00 0.00 177.57 179.57 3hhw h PRO 176 N -0.90 0.00 -0.02 1.57 0.14 -2.03 -3.43 132.00 127.33 3hhw h PRO 176 Ca -0.04 0.00 -0.20 0.00 0.14 0.00 0.00 66.00 65.90 3hhw h PRO 176 Cb 0.52 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 31.66 3hhw h PRO 176 CO 0.07 0.00 -0.83 0.93 0.14 0.00 0.00 178.00 178.31 3hhw h GLU 177 N -0.48 0.29 0.38 0.86 5.08 -2.02 -3.38 114.58 115.31 3hhw h GLU 177 Ca 0.00 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 3hhw h GLU 177 Cb 0.19 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3hhw h GLU 177 CO 0.00 0.97 -0.47 0.78 -1.00 0.00 0.00 179.01 179.29 3hhw h GLY 178 N 1.55 -1.21 0.89 -3.84 0.00 -1.83 -2.64 103.07 95.99 3hhw h GLY 178 Ca -0.05 0.58 0.03 0.00 0.00 0.00 0.00 47.33 47.90 3hhw h GLY 178 CO 0.13 -0.35 0.52 3.21 0.00 0.00 0.00 176.54 180.06 3hhw h ARG 179 N -0.87 0.00 0.03 4.80 3.08 -1.74 -2.74 114.38 116.94 3hhw h ARG 179 Ca -0.05 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.80 3hhw h ARG 179 Cb 0.78 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 3hhw h ARG 179 CO -0.10 0.00 -1.10 -0.44 -1.07 0.00 0.00 179.97 177.25 3hhw h ASP 180 N 0.00 0.10 0.23 7.04 3.32 -1.69 -3.40 116.42 122.02 3hhw h ASP 180 Ca 0.06 -0.70 -0.00 0.00 0.02 0.00 0.00 57.03 56.41 3hhw h ASP 180 Cb 1.10 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 3hhw h ASP 180 CO -0.00 1.45 -0.01 0.16 -1.72 0.00 0.00 179.24 179.12 3hhw h ILE 181 N -0.80 0.10 0.00 0.35 3.07 -1.43 -1.88 117.51 116.92 3hhw h ILE 181 Ca -0.28 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 65.99 3hhw h ILE 181 Cb 1.38 1.13 0.00 0.00 -0.27 0.00 0.00 36.82 39.06 3hhw h ILE 181 CO -0.10 0.01 0.00 -0.26 -1.05 0.00 0.00 178.15 176.75 3hhw h PHE 182 N 0.00 0.00 0.00 0.16 0.05 -1.77 -3.26 116.94 112.12 3hhw h PHE 182 Ca -0.00 0.00 -0.10 0.00 3.82 0.00 0.00 57.97 61.69 3hhw h PHE 182 Cb 0.13 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.06 3hhw h PHE 182 CO 0.00 0.00 -0.46 -0.44 -0.18 0.00 0.00 178.31 177.23 3hhw h ASP 183 N 0.00 0.00 0.91 2.17 5.19 -1.46 -2.81 116.42 120.43 3hhw h ASP 183 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 3hhw h ASP 183 Cb 0.82 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.33 3hhw h ASP 183 CO 0.00 0.46 -0.16 0.58 -3.12 0.00 0.00 179.24 177.00 3hhw h VAL 184 N 0.00 0.41 -0.70 -1.35 2.07 -1.73 -3.02 116.25 111.92 3hhw h VAL 184 Ca -0.00 -0.92 0.07 0.00 0.82 0.00 0.00 66.70 66.66 3hhw h VAL 184 Cb 0.84 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 3hhw h VAL 184 CO 0.06 0.16 0.46 -0.50 0.02 0.00 0.00 177.57 177.77 3hhw h TRP 185 N 0.00 0.72 0.00 1.57 4.06 -1.67 -1.14 115.95 119.49 3hhw h TRP 185 Ca -0.00 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.97 3hhw h TRP 185 Cb 0.66 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 28.58 3hhw h TRP 185 CO 0.00 0.37 0.00 0.41 -3.56 0.00 0.00 178.44 175.66 3hhw n GLY 186 N -1.46 -0.60 0.02 1.49 0.00 -1.14 -1.27 105.19 102.23 3hhw n GLY 186 Ca 0.10 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.18 3hhw n GLY 186 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hhw n ASN 187 N -1.23 0.27 -4.62 1.61 3.02 -0.43 -4.87 115.26 109.01 3hhw n ASN 187 Ca 0.06 -0.13 -0.43 0.00 -0.03 0.00 0.00 54.58 54.05 3hhw n ASN 187 Cb 0.08 1.62 -0.02 0.00 -0.61 0.00 0.00 39.78 40.85 3hhw n ASN 187 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hhw s ASP 188 N -4.33 6.62 0.48 6.41 2.15 -0.40 -4.92 116.67 122.67 3hhw s ASP 188 Ca -0.04 0.87 0.17 0.00 0.43 0.00 0.00 52.55 53.98 3hhw s ASP 188 Cb 0.14 -2.54 1.16 0.00 -0.30 0.00 0.00 42.92 41.38 3hhw s ASP 188 CO 0.89 -1.19 2.02 0.28 -0.17 0.00 0.00 175.17 177.00 3hhw h SER 189 N 9.45 0.20 0.02 -0.34 0.02 -1.89 -2.67 113.55 118.34 3hhw h SER 189 Ca -0.25 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.62 3hhw h SER 189 Cb 1.08 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.59 3hhw h SER 189 CO 1.07 0.13 -0.33 0.78 -1.14 0.00 0.00 176.83 177.34 3hhw h ASN 190 N 0.23 0.26 -0.58 3.07 2.35 -1.91 -2.32 115.58 116.69 3hhw h ASN 190 Ca 0.21 -0.82 0.06 0.00 -0.55 0.00 0.00 56.30 55.19 3hhw h ASN 190 Cb 0.52 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.75 3hhw h ASN 190 CO -0.04 1.05 0.30 0.22 -1.65 0.00 0.00 177.43 177.31 3hhw h TYR 191 N -0.50 0.54 -0.87 1.19 3.20 -1.84 -0.99 116.97 117.69 3hhw h TYR 191 Ca -0.05 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.86 3hhw h TYR 191 Cb 1.12 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 39.19 3hhw h TYR 191 CO 0.19 0.25 0.58 1.15 -1.64 0.00 0.00 178.16 178.69 3hhw h THR 192 N 0.56 1.21 -0.41 1.81 2.02 -1.52 -1.60 112.91 114.98 3hhw h THR 192 Ca 0.26 -0.40 -0.10 0.00 0.77 0.00 0.00 66.41 66.94 3hhw h THR 192 Cb 0.19 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 3hhw h THR 192 CO -0.19 0.21 -0.14 0.11 0.37 0.00 0.00 175.52 175.89 3hhw h LYS 193 N 1.17 0.82 -0.40 6.66 1.57 -0.82 -2.70 116.57 122.87 3hhw h LYS 193 Ca 0.32 -0.33 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3hhw h LYS 193 Cb -0.12 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.12 3hhw h LYS 193 CO -0.07 0.96 0.19 0.82 -0.57 0.00 0.00 179.45 180.77 3hhw h ILE 194 N 0.63 0.95 -0.14 1.86 2.04 -0.68 -1.30 117.51 120.88 3hhw h ILE 194 Ca 0.10 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 3hhw h ILE 194 Cb 0.68 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3hhw h ILE 194 CO 0.05 0.07 0.07 0.58 0.00 0.00 0.00 178.15 178.92 3hhw h VAL 195 N 0.38 1.11 -0.09 1.67 2.07 -1.28 -1.71 116.25 118.40 3hhw h VAL 195 Ca 0.17 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 3hhw h VAL 195 Cb 0.10 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3hhw h VAL 195 CO -0.13 0.10 -0.27 0.00 0.02 0.00 0.00 177.57 177.29 3hhw h ALA 196 N 0.96 1.39 -0.21 1.67 0.00 -1.40 -2.67 119.26 119.01 3hhw h ALA 196 Ca 0.05 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 3hhw h ALA 196 Cb 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hhw h ALA 196 CO -0.01 0.43 -0.13 0.00 0.00 0.00 0.00 179.25 179.54 3hhw h ALA 197 N 1.59 0.30 -0.45 0.00 0.00 -0.90 -1.41 119.26 118.38 3hhw h ALA 197 Ca 0.02 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.64 3hhw h ALA 197 Cb 0.55 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3hhw h ALA 197 CO 0.04 0.17 0.25 0.28 0.00 0.00 0.00 179.25 179.99 3hhw h VAL 198 N 0.15 1.02 0.21 0.00 2.07 -1.20 -1.76 116.25 116.75 3hhw h VAL 198 Ca 0.04 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3hhw h VAL 198 Cb 0.64 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3hhw h VAL 198 CO 0.04 0.09 -0.10 -0.78 0.02 0.00 0.00 177.57 176.84 3hhw h ASP 199 N 0.51 -0.24 -0.70 0.57 3.58 -1.46 -1.74 116.42 116.93 3hhw h ASP 199 Ca 0.19 -0.07 0.07 0.00 0.42 0.00 0.00 57.03 57.64 3hhw h ASP 199 Cb 0.05 0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.10 3hhw h ASP 199 CO -0.10 -0.08 0.39 -0.03 -2.88 0.00 0.00 179.24 176.53 3hhw h MET 200 N -0.38 0.68 0.14 0.28 4.05 -1.20 -0.81 114.93 117.70 3hhw h MET 200 Ca -0.03 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.34 3hhw h MET 200 Cb 0.29 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 3hhw h MET 200 CO 0.05 0.45 -0.07 0.35 0.23 0.00 0.00 176.91 177.92 3hhw h PHE 201 N 0.70 -0.18 0.00 1.39 3.57 -1.17 -2.87 116.94 118.38 3hhw h PHE 201 Ca 0.32 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.82 3hhw h PHE 201 Cb 0.23 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.03 3hhw h PHE 201 CO -0.08 -0.11 0.00 1.19 -2.23 0.00 0.00 178.31 177.08 3hhw n PHE 202 N -5.17 0.58 0.12 0.41 3.72 -0.67 -1.43 117.46 115.02 3hhw n PHE 202 Ca -0.08 0.17 -0.02 0.00 -0.05 0.00 0.00 57.45 57.46 3hhw n PHE 202 Cb 0.10 -0.78 0.16 0.00 -0.94 0.00 0.00 39.48 38.02 3hhw n PHE 202 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3hhw h HIS 203 N 0.00 0.10 0.05 1.38 2.76 -0.99 -3.11 115.15 115.33 3hhw h HIS 203 Ca 0.00 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.13 3hhw h HIS 203 Cb 0.62 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.57 3hhw h HIS 203 CO 0.00 0.67 -0.02 1.98 -1.30 0.00 0.00 177.93 179.25 3hhw h MET 204 N 0.06 -0.06 -3.38 5.26 1.85 -1.23 -3.38 114.93 114.05 3hhw h MET 204 Ca -0.01 0.00 -0.78 0.00 -0.61 0.00 0.00 59.70 58.31 3hhw h MET 204 Cb 1.09 0.01 -0.22 0.00 0.43 0.00 0.00 31.60 32.92 3hhw h MET 204 CO 0.08 0.56 1.33 1.19 -0.40 0.00 0.00 176.91 179.67 3hhw n PHE 205 N -4.78 3.04 -0.21 1.39 3.72 -0.51 -4.81 117.46 115.30 3hhw n PHE 205 Ca -0.08 -2.85 -0.09 0.00 -0.05 0.00 0.00 57.45 54.38 3hhw n PHE 205 Cb 0.32 -1.66 0.02 0.00 -0.94 0.00 0.00 39.48 37.22 3hhw n PHE 205 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3hhw h LYS 206 N 5.82 1.01 -0.81 -1.08 1.57 -1.73 -2.97 116.57 118.38 3hhw h LYS 206 Ca 0.29 -0.28 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3hhw h LYS 206 Cb 0.66 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.81 3hhw h LYS 206 CO 1.42 0.96 0.11 0.36 -0.57 0.00 0.00 179.45 181.73 3hhw n LYS 207 N -4.27 2.96 -2.67 3.15 -0.00 -1.26 -4.78 118.16 111.29 3hhw n LYS 207 Ca 0.03 -1.90 -0.39 0.00 -0.00 0.00 0.00 58.31 56.05 3hhw n LYS 207 Cb 0.29 -1.91 -0.05 0.00 -0.00 0.00 0.00 35.03 33.36 3hhw n LYS 207 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 3hhw s HIS 208 N -2.06 3.71 -0.25 5.58 2.46 -1.12 -4.93 115.29 118.67 3hhw s HIS 208 Ca 0.34 1.79 0.20 0.00 0.47 0.00 0.00 55.06 57.86 3hhw s HIS 208 Cb 0.26 -3.05 1.10 0.00 -0.13 0.00 0.00 32.58 30.77 3hhw s HIS 208 CO 0.09 0.01 1.63 -0.85 -2.47 0.00 0.00 174.74 173.15 3hhw n GLU 209 N 0.92 0.13 -0.23 2.88 0.00 -1.26 -1.60 120.64 121.48 3hhw n GLU 209 Ca 0.00 0.62 0.08 0.00 0.00 0.00 0.00 57.16 57.87 3hhw n GLU 209 Cb 0.48 -1.93 0.18 0.00 0.00 0.00 0.00 31.44 30.17 3hhw n GLU 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3hhw h ALA 211 N 0.91 1.00 0.00 0.00 0.00 -1.60 -2.78 119.26 116.80 3hhw h ALA 211 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hhw h ALA 211 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3hhw h ALA 211 CO 0.09 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.21 3hhw n SER 212 N -2.51 0.00 0.29 0.00 3.41 -1.26 -1.90 113.62 111.64 3hhw n SER 212 Ca -0.01 -0.38 0.16 0.00 -0.26 0.00 0.00 58.87 58.38 3hhw n SER 212 Cb 0.11 -0.12 0.88 0.00 -0.26 0.00 0.00 64.21 64.82 3hhw n SER 212 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3hhw h PHE 213 N 0.00 0.00 0.00 7.33 0.04 -1.90 -2.55 116.94 119.86 3hhw h PHE 213 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3hhw h PHE 213 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 3hhw h PHE 213 CO 0.00 0.05 0.00 -2.13 -0.60 0.00 0.00 178.31 175.63 3hhw n ARG 214 N -3.50 0.13 0.19 1.51 0.63 -0.80 -2.81 116.66 112.01 3hhw n ARG 214 Ca -0.02 0.45 0.05 0.00 -0.92 0.00 0.00 57.85 57.41 3hhw n ARG 214 Cb 0.17 -1.78 0.52 0.00 0.45 0.00 0.00 32.46 31.82 3hhw n ARG 214 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 3hhw h TYR 215 N 0.00 0.11 -0.00 -0.14 0.05 -1.69 -1.07 116.97 114.23 3hhw h TYR 215 Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3hhw h TYR 215 Cb 0.22 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 37.93 3hhw h TYR 215 CO 0.00 0.17 -0.89 0.41 -1.05 0.00 0.00 178.16 176.81 3hhw n GLY 216 N -1.22 -0.78 0.01 3.88 0.00 -1.12 -4.60 105.19 101.36 3hhw n GLY 216 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3hhw n GLY 216 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3hhw n THR 217 N -1.22 0.00 -0.25 2.61 5.66 -1.03 -3.69 114.28 116.35 3hhw n THR 217 Ca 0.05 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 3hhw n THR 217 Cb 0.35 1.01 0.22 0.00 -1.55 0.00 0.00 70.33 70.35 3hhw n THR 217 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 175.07 171.73 3hhw h ILE 218 N 0.06 1.21 0.00 1.09 6.09 -1.45 -2.58 117.51 121.93 3hhw h ILE 218 Ca 0.00 -0.38 0.00 0.00 -1.37 0.00 0.00 64.86 63.11 3hhw h ILE 218 Cb 0.03 0.02 0.00 0.00 0.47 0.00 0.00 36.82 37.33 3hhw h ILE 218 CO 0.00 0.20 0.18 1.62 -3.07 0.00 0.00 178.15 177.08 3hhw h VAL 219 N 1.10 0.00 -0.24 2.19 3.04 -1.86 -0.48 116.25 120.00 3hhw h VAL 219 Ca 0.30 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.96 3hhw h VAL 219 Cb -0.13 0.57 -0.01 0.00 -2.01 0.00 0.00 31.29 29.71 3hhw h VAL 219 CO -0.06 0.00 0.06 -1.28 -1.01 0.00 0.00 177.57 175.27 3hhw h SER 220 N 0.00 0.37 -2.35 3.17 0.87 -1.82 -3.37 113.55 110.42 3hhw h SER 220 Ca 0.00 -0.23 -0.56 0.00 -1.23 0.00 0.00 61.79 59.76 3hhw h SER 220 Cb 0.37 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 3hhw h SER 220 CO 0.00 0.51 1.30 -0.60 -0.53 0.00 0.00 176.83 177.51 3hhw s ARG 221 N -5.29 3.64 0.00 2.24 3.52 -0.19 -2.04 118.95 120.83 3hhw s ARG 221 Ca -0.14 2.09 0.00 0.00 -0.13 0.00 0.00 55.73 57.55 3hhw s ARG 221 Cb 0.08 -4.21 0.00 0.00 -1.56 0.00 0.00 34.95 29.26 3hhw s ARG 221 CO 0.73 -1.51 0.00 1.19 -0.81 0.00 0.00 175.30 174.90 3hhw n PHE 222 N 9.42 0.00 -1.73 5.12 3.72 -0.58 -5.01 117.46 128.40 3hhw n PHE 222 Ca 0.23 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.21 3hhw n PHE 222 Cb 0.44 -0.29 -0.02 0.00 -0.94 0.00 0.00 39.48 38.67 3hhw n PHE 222 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3hhw n LYS 223 N -2.10 2.57 -0.85 -1.08 4.81 -0.87 -0.80 118.16 119.84 3hhw n LYS 223 Ca 0.00 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 3hhw n LYS 223 Cb 0.03 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.40 3hhw n LYS 223 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3hhw n ASP 224 N 2.21 -0.63 -1.10 3.14 9.92 -1.26 -4.84 116.55 123.99 3hhw n ASP 224 Ca 0.09 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.31 3hhw n ASP 224 Cb 0.36 -0.10 0.16 0.00 -0.64 0.00 0.00 41.12 40.89 3hhw n ASP 224 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hhw h ALA 226 N 1.29 1.61 -0.57 0.00 0.00 -1.61 -0.93 119.26 119.05 3hhw h ALA 226 Ca 0.15 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3hhw h ALA 226 Cb 1.26 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3hhw h ALA 226 CO 0.30 0.07 0.02 0.00 0.00 0.00 0.00 179.25 179.64 3hhw h ALA 227 N 1.94 0.95 0.00 0.00 0.00 -1.44 -0.43 119.26 120.29 3hhw h ALA 227 Ca -0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3hhw h ALA 227 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hhw h ALA 227 CO 0.01 0.63 -0.21 -0.07 0.00 0.00 0.00 179.25 179.61 3hhw h LEU 228 N 0.90 0.00 -0.09 0.00 3.38 -1.38 -2.06 115.31 116.07 3hhw h LEU 228 Ca 0.17 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 3hhw h LEU 228 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3hhw h LEU 228 CO 0.02 0.21 -0.25 0.00 0.09 0.00 0.00 178.44 178.51 3hhw h ALA 229 N 1.79 0.15 -0.52 1.53 0.00 -1.11 -1.93 119.26 119.16 3hhw h ALA 229 Ca -0.00 -0.40 0.08 0.00 0.00 0.00 0.00 54.91 54.58 3hhw h ALA 229 Cb 0.53 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 3hhw h ALA 229 CO 0.03 0.14 0.18 1.15 0.00 0.00 0.00 179.25 180.74 3hhw h THR 230 N -0.15 0.80 0.02 0.00 2.02 -0.80 0.15 112.91 114.94 3hhw h THR 230 Ca -0.01 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 3hhw h THR 230 Cb 0.87 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3hhw h THR 230 CO 0.05 0.06 -0.01 0.15 0.37 0.00 0.00 175.52 176.15 3hhw h PHE 231 N 0.35 -0.02 -0.66 3.16 3.57 -1.43 -0.89 116.94 121.01 3hhw h PHE 231 Ca 0.26 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.80 3hhw h PHE 231 Cb 0.29 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 3hhw h PHE 231 CO -0.17 0.03 0.38 0.78 -2.23 0.00 0.00 178.31 177.10 3hhw h GLY 232 N -0.07 0.96 0.99 2.40 0.00 -0.70 -1.97 103.07 104.69 3hhw h GLY 232 Ca -0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 3hhw h GLY 232 CO 0.00 0.20 0.27 0.84 0.00 0.00 0.00 176.54 177.86 3hhw h HIS 233 N 0.73 0.90 -0.44 5.60 -0.00 -0.55 -2.14 115.15 119.25 3hhw h HIS 233 Ca 0.28 -0.05 -0.02 0.00 -0.00 0.00 0.00 60.37 60.58 3hhw h HIS 233 Cb 0.12 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.23 3hhw h HIS 233 CO -0.07 0.69 0.18 1.25 -0.00 0.00 0.00 177.93 179.99 3hhw h LEU 234 N 0.84 0.56 0.01 0.26 5.85 -0.68 -1.37 115.31 120.78 3hhw h LEU 234 Ca 0.21 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3hhw h LEU 234 Cb 0.15 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3hhw h LEU 234 CO -0.02 0.51 -0.00 0.00 -0.34 0.00 0.00 178.44 178.58 3hhw h LYS 236 N -0.40 1.21 0.00 0.00 1.79 -1.19 -0.76 116.57 117.22 3hhw h LYS 236 Ca -0.00 -0.07 -0.16 0.00 -2.18 0.00 0.00 60.65 58.24 3hhw h LYS 236 Cb 0.40 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 3hhw h LYS 236 CO 0.00 0.80 -0.74 0.97 -1.08 0.00 0.00 179.45 179.40 3hhw h ILE 237 N 1.24 1.33 0.00 1.86 2.10 -1.28 -3.20 117.51 119.57 3hhw h ILE 237 Ca 0.38 -2.72 -0.02 0.00 1.08 0.00 0.00 64.86 63.58 3hhw h ILE 237 Cb -0.02 2.55 -0.00 0.00 -1.09 0.00 0.00 36.82 38.26 3hhw h ILE 237 CO -0.11 0.73 -1.33 0.35 -1.08 0.00 0.00 178.15 176.71 3hhw n THR 238 N -3.37 0.53 -1.00 2.19 -2.24 -1.03 -4.96 114.28 104.39 3hhw n THR 238 Ca 0.01 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3hhw n THR 238 Cb 0.80 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3hhw n THR 238 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hhw n GLY 239 N 1.23 0.62 3.92 3.38 0.00 -0.31 -5.03 105.19 109.01 3hhw n GLY 239 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 3hhw n GLY 239 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hhw s MET 240 N -0.02 3.46 0.93 1.61 -1.94 -1.12 -5.02 119.30 117.20 3hhw s MET 240 Ca 0.00 -0.44 -0.11 0.00 -1.71 0.00 0.00 55.69 53.43 3hhw s MET 240 Cb 0.00 -3.00 0.15 0.00 2.01 0.00 0.00 34.83 33.99 3hhw s MET 240 CO 0.00 0.58 1.10 -1.54 -0.01 0.00 0.00 175.02 175.14 3hhw s SER 241 N -2.66 2.99 0.39 3.03 1.04 -1.26 -4.64 113.70 112.59 3hhw s SER 241 Ca 0.35 1.76 0.06 0.00 0.48 0.00 0.00 55.95 58.61 3hhw s SER 241 Cb -0.13 -2.37 0.79 0.00 0.10 0.00 0.00 66.02 64.41 3hhw s SER 241 CO 0.28 -2.99 2.02 0.71 0.98 0.00 0.00 173.24 174.24 3hhw h THR 242 N -1.79 1.13 0.24 2.02 1.35 -1.98 -1.92 112.91 111.97 3hhw h THR 242 Ca -0.49 -0.32 -0.01 0.00 -0.55 0.00 0.00 66.41 65.04 3hhw h THR 242 Cb 1.28 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 3hhw h THR 242 CO 0.49 0.14 -0.12 -0.33 -0.25 0.00 0.00 175.52 175.46 3hhw h GLU 243 N 0.56 -0.31 -0.92 4.72 3.07 -2.00 -2.81 114.58 116.89 3hhw h GLU 243 Ca 0.15 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 59.07 3hhw h GLU 243 Cb 0.02 0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 27.94 3hhw h GLU 243 CO -0.02 0.01 0.59 -0.44 -1.40 0.00 0.00 179.01 177.75 3hhw h ASP 244 N -0.66 0.98 -0.41 1.42 3.32 -1.87 -2.18 116.42 117.03 3hhw h ASP 244 Ca -0.03 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3hhw h ASP 244 Cb 0.46 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3hhw h ASP 244 CO 0.05 0.66 0.25 0.58 -1.72 0.00 0.00 179.24 179.06 3hhw h VAL 245 N 1.14 1.13 -0.80 -1.35 2.07 -1.42 -2.81 116.25 114.20 3hhw h VAL 245 Ca 0.38 -0.30 0.11 0.00 0.82 0.00 0.00 66.70 67.70 3hhw h VAL 245 Cb 0.04 0.60 -0.08 0.00 -1.52 0.00 0.00 31.29 30.33 3hhw h VAL 245 CO -0.13 0.13 0.43 0.74 0.02 0.00 0.00 177.57 178.76 3hhw h THR 246 N 0.54 0.84 0.00 2.57 2.02 -1.12 0.59 112.91 118.34 3hhw h THR 246 Ca 0.15 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 3hhw h THR 246 Cb 0.00 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.49 3hhw h THR 246 CO -0.03 0.13 -0.08 0.71 0.37 0.00 0.00 175.52 176.62 3hhw h THR 247 N 0.69 0.55 -0.01 3.16 1.35 -1.21 -1.98 112.91 115.46 3hhw h THR 247 Ca 0.41 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 3hhw h THR 247 Cb 0.45 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3hhw h THR 247 CO -0.29 0.08 0.00 0.79 -0.25 0.00 0.00 175.52 175.85 3hhw n TRP 248 N -3.70 0.01 -2.32 4.73 7.02 0.20 -4.80 117.44 118.58 3hhw n TRP 248 Ca -0.02 -0.01 -0.43 0.00 -1.02 0.00 0.00 57.50 56.03 3hhw n TRP 248 Cb 0.19 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.05 3hhw n TRP 248 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3hhw s ILE 249 N -1.99 4.06 -0.10 -0.99 1.01 -0.75 -4.92 121.20 117.52 3hhw s ILE 249 Ca 0.39 1.32 0.04 0.00 0.00 0.00 0.00 60.65 62.40 3hhw s ILE 249 Cb 0.18 -3.85 0.08 0.00 0.01 0.00 0.00 42.46 38.88 3hhw s ILE 249 CO 0.31 -0.08 1.05 0.18 0.00 0.00 0.00 174.94 176.39 3hhw n LEU 250 N 6.33 2.16 -4.11 2.97 4.32 -1.26 -4.99 117.00 122.43 3hhw n LEU 250 Ca 0.14 -2.17 -0.22 0.00 -0.02 0.00 0.00 56.01 53.74 3hhw n LEU 250 Cb 0.44 -0.09 -0.15 0.00 -1.62 0.00 0.00 43.42 42.01 3hhw n LEU 250 CO 0.57 0.55 -0.47 0.20 -1.22 0.00 0.00 177.39 177.02 3hhw s ASN 251 N -1.27 1.66 0.32 -1.43 0.01 -1.26 -5.05 114.94 107.91 3hhw s ASN 251 Ca 0.07 -0.27 0.01 0.00 -0.71 0.00 0.00 52.86 51.96 3hhw s ASN 251 Cb 0.05 -0.18 0.55 0.00 0.41 0.00 0.00 41.25 42.08 3hhw s ASN 251 CO 0.02 0.17 1.96 0.03 -1.51 0.00 0.00 177.10 177.77 3hhw h ARG 252 N 5.74 0.96 -0.40 -0.60 2.47 -1.99 -1.52 114.38 119.05 3hhw h ARG 252 Ca -0.35 -0.06 -0.13 0.00 -1.26 0.00 0.00 59.98 58.19 3hhw h ARG 252 Cb 1.16 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 29.25 3hhw h ARG 252 CO 0.49 0.64 -0.26 1.49 0.56 0.00 0.00 179.97 182.88 3hhw h GLU 253 N 0.99 0.83 -0.17 0.04 4.57 -1.99 0.78 114.58 119.64 3hhw h GLU 253 Ca 0.31 -0.36 -0.18 0.00 -1.18 0.00 0.00 59.36 57.95 3hhw h GLU 253 Cb 0.02 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.58 3hhw h GLU 253 CO -0.09 0.99 -0.65 0.28 -1.18 0.00 0.00 179.01 178.37 3hhw h VAL 254 N 0.71 1.32 0.29 0.32 2.07 -1.86 -2.29 116.25 116.81 3hhw h VAL 254 Ca 0.09 -1.91 -0.00 0.00 0.82 0.00 0.00 66.70 65.69 3hhw h VAL 254 Cb 0.80 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 3hhw h VAL 254 CO 0.07 0.60 -0.23 0.00 0.02 0.00 0.00 177.57 178.03 3hhw h ALA 255 N 0.83 -0.51 -0.79 1.67 0.00 -0.94 0.11 119.26 119.62 3hhw h ALA 255 Ca -0.01 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 54.95 3hhw h ALA 255 Cb 1.23 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 19.23 3hhw h ALA 255 CO 0.12 -0.81 0.35 -0.44 0.00 0.00 0.00 179.25 178.48 3hhw h ASP 256 N -0.53 0.36 -0.38 0.00 3.32 -0.83 -1.82 116.42 116.55 3hhw h ASP 256 Ca -0.02 0.11 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 3hhw h ASP 256 Cb 0.46 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3hhw h ASP 256 CO -0.01 0.14 -0.36 -0.33 -1.72 0.00 0.00 179.24 176.96 3hhw h GLU 257 N 0.50 0.91 -0.57 3.56 5.08 -1.01 -2.53 114.58 120.52 3hhw h GLU 257 Ca 0.44 -0.48 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3hhw h GLU 257 Cb 0.66 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 3hhw h GLU 257 CO -0.40 1.13 0.20 1.98 -1.00 0.00 0.00 179.01 180.92 3hhw h MET 258 N 0.73 0.84 -0.42 2.33 4.05 -0.20 -0.33 114.93 121.94 3hhw h MET 258 Ca 0.06 -0.14 -0.12 0.00 -0.28 0.00 0.00 59.70 59.22 3hhw h MET 258 Cb 0.95 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.60 3hhw h MET 258 CO 0.09 0.71 -0.23 -0.39 0.23 0.00 0.00 176.91 177.33 3hhw h VAL 259 N 0.82 1.28 -0.72 -5.77 -1.51 -1.26 -2.17 116.25 106.93 3hhw h VAL 259 Ca 0.19 -1.38 0.02 0.00 -1.23 0.00 0.00 66.70 64.31 3hhw h VAL 259 Cb 0.20 1.26 -0.04 0.00 -2.13 0.00 0.00 31.29 30.58 3hhw h VAL 259 CO -0.01 0.46 0.46 -0.61 -1.23 0.00 0.00 177.57 176.64 3hhw h GLN 260 N 0.71 0.88 0.00 5.19 4.15 -1.18 -2.43 115.11 122.43 3hhw h GLN 260 Ca 0.09 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.41 3hhw h GLN 260 Cb 0.80 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 3hhw h GLN 260 CO 0.07 0.58 -0.22 0.52 -1.93 0.00 0.00 178.83 177.85 3hhw h MET 261 N 0.91 0.00 -0.42 1.69 2.86 -0.93 -3.23 114.93 115.81 3hhw h MET 261 Ca 0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 3hhw h MET 261 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3hhw h MET 261 CO -0.09 0.22 0.00 -1.33 1.06 0.00 0.00 176.91 176.77 3hhw n MET 262 N -3.73 2.92 -1.62 1.72 2.81 -0.83 -5.02 117.12 113.38 3hhw n MET 262 Ca -0.01 -2.29 -0.51 0.00 -1.81 0.00 0.00 57.70 53.07 3hhw n MET 262 Cb 0.33 -1.42 -0.06 0.00 -0.71 0.00 0.00 33.22 31.36 3hhw n MET 262 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3hhw n LEU 263 N 0.61 2.03 -4.73 4.03 7.94 -0.99 -4.89 117.00 121.01 3hhw n LEU 263 Ca 0.16 1.10 -0.32 0.00 -1.11 0.00 0.00 56.01 55.84 3hhw n LEU 263 Cb 0.54 -1.23 0.11 0.00 0.53 0.00 0.00 43.42 43.36 3hhw n LEU 263 CO 0.11 -0.82 0.72 -2.84 -1.11 0.00 0.00 177.39 173.45 3hhw s PRO 264 N 0.98 1.94 -0.29 1.96 0.02 -1.26 -4.23 135.00 134.13 3hhw s PRO 264 Ca 0.85 1.41 -0.01 0.00 0.02 0.00 0.00 61.00 63.27 3hhw s PRO 264 Cb -0.91 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 31.77 3hhw s PRO 264 CO 0.47 -1.92 0.15 0.41 -0.33 0.00 0.00 177.00 175.78 3hhw n GLY 265 N -0.42 0.51 0.17 0.52 0.00 -1.26 -4.96 105.19 99.74 3hhw n GLY 265 Ca 0.11 -0.58 0.02 0.00 0.00 0.00 0.00 46.02 45.57 3hhw n GLY 265 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hhw n GLN 266 N -1.36 0.81 -2.19 1.61 1.13 -1.26 -4.65 117.38 111.46 3hhw n GLN 266 Ca -0.02 -1.08 -0.19 0.00 -1.94 0.00 0.00 57.00 53.77 3hhw n GLN 266 Cb 0.52 -1.08 -0.03 0.00 0.11 0.00 0.00 30.24 29.77 3hhw n GLN 266 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3hhw n GLU 267 N 0.06 -1.50 -0.15 -1.09 1.02 -1.26 -4.77 120.64 112.94 3hhw n GLU 267 Ca 0.03 0.99 -0.04 0.00 -0.02 0.00 0.00 57.16 58.12 3hhw n GLU 267 Cb 0.17 -5.51 0.03 0.00 -0.02 0.00 0.00 31.44 26.10 3hhw n GLU 267 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3hhw h ILE 268 N 0.00 0.41 -0.39 -3.67 1.08 -1.96 -2.25 117.51 110.73 3hhw h ILE 268 Ca -0.45 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 3hhw h ILE 268 Cb 1.32 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 35.48 3hhw h ILE 268 CO 0.55 0.00 0.00 -0.90 -0.69 0.00 0.00 178.15 177.11 3hhw n ASP 269 N -5.39 2.51 -4.79 1.72 3.85 -1.26 -4.91 116.55 108.29 3hhw n ASP 269 Ca 0.04 -1.93 -0.36 0.00 -0.71 0.00 0.00 54.79 51.84 3hhw n ASP 269 Cb 0.30 -0.26 -0.05 0.00 -1.35 0.00 0.00 41.12 39.75 3hhw n ASP 269 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 3hhw s LYS 270 N -1.48 4.31 0.00 0.11 2.20 -0.85 -5.01 119.74 119.01 3hhw s LYS 270 Ca 0.34 1.37 0.00 0.00 -0.36 0.00 0.00 55.97 57.32 3hhw s LYS 270 Cb 0.18 -2.55 0.00 0.00 -1.51 0.00 0.00 37.83 33.95 3hhw s LYS 270 CO 0.25 0.01 0.90 0.00 -0.36 0.00 0.00 175.35 176.15 3hhw n ALA 271 N 0.00 -0.36 -3.72 3.13 0.00 -1.26 -4.52 120.51 113.79 3hhw n ALA 271 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.14 3hhw n ALA 271 Cb 0.51 0.05 -0.09 0.00 0.00 0.00 0.00 19.45 19.91 3hhw n ALA 271 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hhw s ASP 272 N -2.10 5.44 0.27 0.00 1.01 -1.26 -5.05 116.67 114.97 3hhw s ASP 272 Ca 0.00 -3.34 0.10 0.00 0.71 0.00 0.00 52.55 50.02 3hhw s ASP 272 Cb 0.00 -1.84 -0.05 0.00 1.01 0.00 0.00 42.92 42.04 3hhw s ASP 272 CO 0.00 -0.25 -0.15 -0.55 0.21 0.00 0.00 175.17 174.43 3hhw s SER 273 N 0.03 3.22 0.39 0.27 0.15 -1.26 -4.78 113.70 111.72 3hhw s SER 273 Ca 0.22 -1.07 0.18 0.00 0.70 0.00 0.00 55.95 55.98 3hhw s SER 273 Cb -0.13 -0.24 0.78 0.00 -1.71 0.00 0.00 66.02 64.71 3hhw s SER 273 CO -0.08 -0.10 1.80 1.88 1.20 0.00 0.00 173.24 177.93 3hhw h TYR 274 N 2.31 0.00 -0.92 3.44 0.05 -1.95 -3.38 116.97 116.53 3hhw h TYR 274 Ca -0.40 0.00 0.24 0.00 0.05 0.00 0.00 58.73 58.62 3hhw h TYR 274 Cb 1.24 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.85 3hhw h TYR 274 CO 0.76 0.36 0.42 1.98 -1.05 0.00 0.00 178.16 180.62 3hhw h MET 275 N 0.00 0.37 0.00 4.88 4.05 -1.91 -0.44 114.93 121.87 3hhw h MET 275 Ca -0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 3hhw h MET 275 Cb 0.77 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.49 3hhw h MET 275 CO 0.05 0.24 0.00 -2.30 0.23 0.00 0.00 176.91 175.13 3hhw n PRO 276 N -5.06 0.21 -2.10 0.39 -0.02 -1.26 -2.19 135.00 124.96 3hhw n PRO 276 Ca 0.24 0.13 -0.12 0.00 -2.02 0.00 0.00 63.50 61.73 3hhw n PRO 276 Cb 0.72 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.74 3hhw n PRO 276 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hhw n TYR 277 N -1.20 1.89 -0.22 6.00 4.01 -0.18 -1.53 117.16 125.94 3hhw n TYR 277 Ca 0.06 -2.03 -0.06 0.00 -0.16 0.00 0.00 57.90 55.71 3hhw n TYR 277 Cb 0.07 -0.29 0.09 0.00 -0.31 0.00 0.00 39.34 38.90 3hhw n TYR 277 CO 0.00 0.00 0.00 1.37 -0.46 0.00 0.00 176.86 177.77 3hhw h LEU 278 N 2.13 0.99 0.17 7.72 -0.00 -1.52 0.28 115.31 125.07 3hhw h LEU 278 Ca 0.15 -0.20 -0.31 0.00 -0.00 0.00 0.00 57.88 57.51 3hhw h LEU 278 Cb 1.43 -0.26 0.03 0.00 -0.00 0.00 0.00 40.66 41.86 3hhw h LEU 278 CO 0.48 0.95 -1.32 -0.29 -0.00 0.00 0.00 178.44 178.26 3hhw h ILE 279 N 1.00 1.29 0.06 0.15 6.09 -1.88 0.24 117.51 124.44 3hhw h ILE 279 Ca 0.21 -2.54 -0.00 0.00 -1.37 0.00 0.00 64.86 61.16 3hhw h ILE 279 Cb 0.36 2.83 0.00 0.00 0.47 0.00 0.00 36.82 40.47 3hhw h ILE 279 CO 0.00 0.77 -0.03 0.44 -3.07 0.00 0.00 178.15 176.26 3hhw h ASP 280 N 0.22 -0.06 0.81 2.19 3.32 -1.81 -2.13 116.42 118.95 3hhw h ASP 280 Ca -0.21 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.81 3hhw h ASP 280 Cb 2.00 0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.57 3hhw h ASP 280 CO 0.25 -0.01 0.00 0.49 -1.72 0.00 0.00 179.24 178.25 3hhw n PHE 281 N -5.11 0.32 -0.51 4.55 3.72 0.95 -3.67 117.46 117.73 3hhw n PHE 281 Ca -0.08 0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 3hhw n PHE 281 Cb 0.07 -0.68 0.00 0.00 -0.94 0.00 0.00 39.48 37.93 3hhw n PHE 281 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hhw n GLY 282 N 0.53 0.75 0.17 1.37 0.00 -0.80 -4.93 105.19 102.27 3hhw n GLY 282 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 3hhw n GLY 282 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hhw h LEU 283 N 0.00 0.00 -7.29 0.99 3.38 -0.80 -3.44 115.31 108.15 3hhw h LEU 283 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3hhw h LEU 283 Cb 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.56 3hhw h LEU 283 CO 0.00 0.00 -0.07 -0.55 0.09 0.00 0.00 178.44 177.91 3hhw s SER 284 N -4.36 -0.39 -0.01 -0.43 0.15 -0.84 -4.49 113.70 103.34 3hhw s SER 284 Ca 0.01 0.31 0.08 0.00 0.70 0.00 0.00 55.95 57.05 3hhw s SER 284 Cb 0.08 0.42 -0.11 0.00 -1.71 0.00 0.00 66.02 64.70 3hhw s SER 284 CO 0.34 -0.55 0.23 -1.54 1.20 0.00 0.00 173.24 172.92 3hhw n SER 285 N 1.00 2.20 -3.71 5.45 3.41 -1.26 -4.35 113.62 116.36 3hhw n SER 285 Ca -0.20 -0.24 -0.29 0.00 -0.26 0.00 0.00 58.87 57.89 3hhw n SER 285 Cb 0.57 1.24 -0.16 0.00 -0.26 0.00 0.00 64.21 65.60 3hhw n SER 285 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hhw s LYS 286 N -2.27 0.61 0.04 4.33 1.02 -1.26 -5.06 119.74 117.14 3hhw s LYS 286 Ca -0.01 -0.68 -0.30 0.00 0.02 0.00 0.00 55.97 55.00 3hhw s LYS 286 Cb 0.05 -1.93 -0.05 0.00 -0.52 0.00 0.00 37.83 35.39 3hhw s LYS 286 CO 0.33 -0.83 1.20 0.45 -0.92 0.00 0.00 175.35 175.58 3hhw s SER 287 N 1.80 7.07 0.33 2.83 0.15 -1.26 -1.16 113.70 123.46 3hhw s SER 287 Ca 0.04 1.98 0.25 0.00 0.70 0.00 0.00 55.95 58.92 3hhw s SER 287 Cb -0.17 -2.57 1.15 0.00 -1.71 0.00 0.00 66.02 62.72 3hhw s SER 287 CO -0.19 -0.49 1.76 -0.65 1.20 0.00 0.00 173.24 174.87 3hhw h PRO 288 N 6.94 0.00 -0.33 5.44 0.11 -1.88 -2.97 132.00 139.31 3hhw h PRO 288 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3hhw h PRO 288 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3hhw h PRO 288 CO 0.82 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.27 3hhw n TYR 289 N -2.37 0.45 -1.98 0.65 4.01 -1.26 -4.68 117.16 111.98 3hhw n TYR 289 Ca 0.01 -0.51 -0.40 0.00 -0.16 0.00 0.00 57.90 56.84 3hhw n TYR 289 Cb 0.17 -0.04 -0.00 0.00 -0.31 0.00 0.00 39.34 39.16 3hhw n TYR 289 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3hhw s TRP 290 N -1.05 2.74 0.42 -0.72 0.51 -1.13 -1.25 118.94 118.47 3hhw s TRP 290 Ca 0.22 1.35 0.13 0.00 -2.12 0.00 0.00 56.10 55.69 3hhw s TRP 290 Cb 0.12 -3.76 0.89 0.00 -0.81 0.00 0.00 33.47 29.91 3hhw s TRP 290 CO 0.15 -2.34 1.93 0.77 -0.51 0.00 0.00 176.95 176.95 3hhw h SER 291 N 2.70 0.02 0.77 2.95 0.02 -1.89 -2.60 113.55 115.53 3hhw h SER 291 Ca -0.50 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.39 3hhw h SER 291 Cb 1.25 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 3hhw h SER 291 CO 0.63 0.26 -0.25 -0.37 -1.14 0.00 0.00 176.83 175.96 3hhw h VAL 292 N 0.02 0.66 -0.01 2.27 -1.51 -1.95 -2.14 116.25 113.60 3hhw h VAL 292 Ca 0.00 -1.11 0.00 0.00 -1.23 0.00 0.00 66.70 64.36 3hhw h VAL 292 Cb 0.43 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 3hhw h VAL 292 CO 0.03 0.24 -0.29 0.29 -1.23 0.00 0.00 177.57 176.62 3hhw n LYS 293 N -3.50 0.73 -3.21 5.19 4.76 -1.00 -4.15 118.16 116.98 3hhw n LYS 293 Ca -0.00 -0.43 -0.24 0.00 -2.87 0.00 0.00 58.31 54.77 3hhw n LYS 293 Cb 0.41 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 32.05 3hhw n LYS 293 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3hhw n ASN 294 N -0.76 2.00 -0.04 4.39 4.13 -0.82 -4.99 115.26 119.18 3hhw n ASN 294 Ca 0.11 -3.13 -0.13 0.00 1.68 0.00 0.00 54.58 53.11 3hhw n ASN 294 Cb 0.35 -0.63 -0.08 0.00 -1.54 0.00 0.00 39.78 37.88 3hhw n ASN 294 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 3hhw h PRO 295 N 3.64 0.20 -0.17 3.52 0.11 -1.68 -1.60 132.00 136.02 3hhw h PRO 295 Ca 0.12 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 3hhw h PRO 295 Cb 0.78 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 3hhw h PRO 295 CO 0.63 0.57 0.07 0.00 -0.21 0.00 0.00 178.00 179.06 3hhw h ALA 296 N 0.62 0.22 -0.88 -0.75 0.00 -1.90 -1.48 119.26 115.08 3hhw h ALA 296 Ca 0.02 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hhw h ALA 296 Cb 0.52 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3hhw h ALA 296 CO 0.02 -0.19 0.58 0.35 0.00 0.00 0.00 179.25 180.01 3hhw h PHE 297 N 0.12 1.09 0.75 0.00 3.57 -1.86 -0.35 116.94 120.25 3hhw h PHE 297 Ca 0.06 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 3hhw h PHE 297 Cb 0.18 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.55 3hhw h PHE 297 CO -0.01 0.67 -0.42 1.25 -2.23 0.00 0.00 178.31 177.57 3hhw h HIS 298 N 1.16 -1.10 0.23 0.41 2.76 -1.01 0.12 115.15 117.72 3hhw h HIS 298 Ca 0.33 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.49 3hhw h HIS 298 Cb -0.08 0.38 -0.04 0.00 1.55 0.00 0.00 27.41 29.22 3hhw h HIS 298 CO -0.00 -0.65 -0.47 0.35 -1.30 0.00 0.00 177.93 175.87 3hhw h PHE 299 N -1.08 -1.32 -0.51 5.26 3.57 -1.03 0.10 116.94 121.93 3hhw h PHE 299 Ca -0.10 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.51 3hhw h PHE 299 Cb 0.85 0.55 -0.07 0.00 2.79 0.00 0.00 35.95 40.07 3hhw h PHE 299 CO -0.07 -0.58 0.11 2.35 -2.23 0.00 0.00 178.31 177.90 3hhw h TRP 300 N -0.78 0.19 0.00 0.41 7.01 -1.10 -0.15 115.95 121.54 3hhw h TRP 300 Ca -0.01 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.02 3hhw h TRP 300 Cb 0.75 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.81 3hhw h TRP 300 CO -0.35 0.01 -0.00 0.78 -2.79 0.00 0.00 178.44 176.08 3hhw h GLY 301 N 0.26 -0.01 1.52 2.65 0.00 -0.45 -2.17 103.07 104.87 3hhw h GLY 301 Ca 0.26 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.47 3hhw h GLY 301 CO -0.33 -0.00 -0.35 1.46 0.00 0.00 0.00 176.54 177.32 3hhw h GLN 302 N -0.28 0.54 -0.42 4.80 1.08 -0.70 -2.33 115.11 117.79 3hhw h GLN 302 Ca -0.00 -0.25 -0.03 0.00 -1.45 0.00 0.00 58.65 56.92 3hhw h GLN 302 Cb 0.28 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 3hhw h GLN 302 CO 0.00 0.81 0.15 1.25 -0.95 0.00 0.00 178.83 180.10 3hhw h LEU 303 N 0.46 0.60 -0.64 1.46 5.85 -1.01 -0.01 115.31 122.02 3hhw h LEU 303 Ca 0.05 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 3hhw h LEU 303 Cb 0.82 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 3hhw h LEU 303 CO 0.07 0.62 0.34 0.74 -0.34 0.00 0.00 178.44 179.87 3hhw h THR 304 N 0.54 1.21 -0.33 1.05 2.02 -1.29 -1.57 112.91 114.53 3hhw h THR 304 Ca 0.14 -0.54 0.02 0.00 0.77 0.00 0.00 66.41 66.80 3hhw h THR 304 Cb 0.22 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 3hhw h THR 304 CO -0.01 0.23 0.19 0.00 0.37 0.00 0.00 175.52 176.30 3hhw h ALA 305 N 1.16 0.41 0.12 6.16 0.00 -1.22 -1.59 119.26 124.30 3hhw h ALA 305 Ca 0.22 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3hhw h ALA 305 Cb 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3hhw h ALA 305 CO -0.03 -0.18 -0.17 1.25 0.00 0.00 0.00 179.25 180.12 3hhw h LEU 306 N 0.38 -0.45 -2.26 0.00 5.85 -0.69 -0.89 115.31 117.25 3hhw h LEU 306 Ca 0.13 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3hhw h LEU 306 Cb 0.02 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3hhw h LEU 306 CO -0.07 -0.24 0.00 -0.07 -0.34 0.00 0.00 178.44 177.71 3hhw h LEU 307 N -0.34 0.00 -3.82 2.25 3.38 -1.13 0.59 115.31 116.24 3hhw h LEU 307 Ca 0.02 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.68 3hhw h LEU 307 Cb 0.34 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.91 3hhw h LEU 307 CO -0.07 0.00 0.39 0.18 0.09 0.00 0.00 178.44 179.03 3hhw n LEU 308 N -2.86 6.35 -1.88 1.67 4.77 -0.61 -4.89 117.00 119.55 3hhw n LEU 308 Ca -0.02 -3.33 -0.09 0.00 -0.03 0.00 0.00 56.01 52.55 3hhw n LEU 308 Cb 0.11 -0.78 0.03 0.00 -2.33 0.00 0.00 43.42 40.46 3hhw n LEU 308 CO 0.19 0.88 0.08 0.54 -1.33 0.00 0.00 177.39 177.75 3hhw n ARG 309 N -0.43 -3.04 -2.47 3.23 5.12 0.20 -5.00 116.66 114.26 3hhw n ARG 309 Ca 0.47 0.35 -0.41 0.00 -1.93 0.00 0.00 57.85 56.33 3hhw n ARG 309 Cb 1.49 -3.89 -0.04 0.00 -1.16 0.00 0.00 32.46 28.85 3hhw n ARG 309 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3hhw s SER 310 N -3.33 7.22 0.38 0.55 0.15 -0.43 -4.93 113.70 113.30 3hhw s SER 310 Ca 0.13 2.16 0.23 0.00 0.70 0.00 0.00 55.95 59.17 3hhw s SER 310 Cb -0.06 -2.61 0.34 0.00 -1.71 0.00 0.00 66.02 61.98 3hhw s SER 310 CO 0.30 -0.25 1.54 0.71 1.20 0.00 0.00 173.24 176.74 3hhw h THR 311 N 3.64 0.00 0.08 6.45 1.35 -1.95 -3.37 112.91 119.11 3hhw h THR 311 Ca -0.45 -0.94 -0.36 0.00 -0.55 0.00 0.00 66.41 64.11 3hhw h THR 311 Cb 1.21 1.86 -0.03 0.00 -1.73 0.00 0.00 68.15 69.46 3hhw h THR 311 CO 0.72 0.00 -2.05 0.54 -0.25 0.00 0.00 175.52 174.48 3hhw n ARG 312 N -2.94 0.71 0.27 4.72 1.74 -1.26 -4.57 116.66 115.33 3hhw n ARG 312 Ca 0.04 0.27 0.14 0.00 -0.77 0.00 0.00 57.85 57.52 3hhw n ARG 312 Cb 0.52 -1.66 0.73 0.00 -1.02 0.00 0.00 32.46 31.03 3hhw n ARG 312 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hhw h ALA 313 N -0.04 1.20 -0.64 7.54 0.00 -1.88 -3.17 119.26 122.27 3hhw h ALA 313 Ca -0.46 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 54.48 3hhw h ALA 313 Cb 1.92 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.59 3hhw h ALA 313 CO 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 179.25 179.38 3hhw h ARG 314 N 0.00 0.10 -0.60 0.00 2.47 -1.80 -2.37 114.38 112.18 3hhw h ARG 314 Ca -0.00 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3hhw h ARG 314 Cb 0.37 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 3hhw h ARG 314 CO 0.01 0.07 0.00 0.09 0.56 0.00 0.00 179.97 180.70 3hhw n ASN 315 N -5.30 3.38 -4.76 7.04 3.02 -1.20 -2.39 115.26 115.06 3hhw n ASN 315 Ca 0.10 -2.12 -0.40 0.00 -0.03 0.00 0.00 54.58 52.12 3hhw n ASN 315 Cb 0.37 -0.43 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 3hhw n ASN 315 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hhw s ALA 316 N -1.42 3.37 0.14 5.41 0.00 -0.89 -4.88 121.76 123.50 3hhw s ALA 316 Ca 0.40 1.00 -0.31 0.00 0.00 0.00 0.00 51.96 53.05 3hhw s ALA 316 Cb 0.22 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.88 3hhw s ALA 316 CO 0.24 -0.36 1.39 -0.98 0.00 0.00 0.00 175.76 176.05 3hhw s ARG 317 N -1.74 4.32 -0.34 0.00 1.04 -1.26 -0.71 118.95 120.26 3hhw s ARG 317 Ca 0.48 2.10 -0.29 0.00 -1.04 0.00 0.00 55.73 56.99 3hhw s ARG 317 Cb -0.33 -3.22 0.02 0.00 -2.04 0.00 0.00 34.95 29.37 3hhw s ARG 317 CO 0.43 -0.41 1.06 -1.14 -0.04 0.00 0.00 175.30 175.21 3hhw s GLN 318 N 0.80 4.00 1.09 3.89 0.74 -1.00 -4.68 119.66 124.49 3hhw s GLN 318 Ca 0.63 0.96 -0.13 0.00 0.05 0.00 0.00 55.36 56.87 3hhw s GLN 318 Cb -0.37 -3.76 0.24 0.00 1.10 0.00 0.00 33.01 30.21 3hhw s GLN 318 CO 0.32 -0.96 1.06 -2.14 -0.55 0.00 0.00 175.29 173.03 3hhw s PRO 319 N 3.72 -0.28 0.24 1.67 0.02 -1.26 -4.85 135.00 134.26 3hhw s PRO 319 Ca 0.45 0.61 0.06 0.00 0.02 0.00 0.00 61.00 62.13 3hhw s PRO 319 Cb -0.12 -1.65 -0.03 0.00 0.02 0.00 0.00 34.50 32.73 3hhw s PRO 319 CO 0.18 -3.23 0.31 -0.51 -0.33 0.00 0.00 177.00 173.41 3hhw s ASP 320 N -3.06 6.09 -1.24 2.53 -0.00 -1.26 -4.80 116.67 114.93 3hhw s ASP 320 Ca 0.67 -0.02 -0.00 0.00 -0.00 0.00 0.00 52.55 53.20 3hhw s ASP 320 Cb -0.21 -1.73 0.00 0.00 -0.00 0.00 0.00 42.92 40.98 3hhw s ASP 320 CO 0.61 -0.06 0.89 0.47 -0.00 0.00 0.00 175.17 177.08 3hhw n ASP 321 N -1.32 -1.75 -4.37 0.27 8.00 -1.26 -5.02 116.55 111.10 3hhw n ASP 321 Ca -0.09 -0.69 -0.19 0.00 0.71 0.00 0.00 54.79 54.54 3hhw n ASP 321 Cb 0.57 -4.75 -0.10 0.00 -0.02 0.00 0.00 41.12 36.82 3hhw n ASP 321 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3hhw s ILE 322 N -3.47 1.07 -1.30 0.53 -4.36 -1.26 -5.03 121.20 107.38 3hhw s ILE 322 Ca 0.00 -2.03 -0.17 0.00 -0.26 0.00 0.00 60.65 58.20 3hhw s ILE 322 Cb -0.00 -2.51 0.08 0.00 1.25 0.00 0.00 42.46 41.28 3hhw s ILE 322 CO 0.76 -0.20 1.72 -0.62 0.24 0.00 0.00 174.94 176.85 3hhw n GLU 323 N -0.51 3.21 -0.10 0.37 1.02 -1.26 -4.85 120.64 118.53 3hhw n GLU 323 Ca -0.04 -3.33 -0.07 0.00 -0.02 0.00 0.00 57.16 53.71 3hhw n GLU 323 Cb 0.65 -3.42 -0.00 0.00 -0.02 0.00 0.00 31.44 28.65 3hhw n GLU 323 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 3hhw h TYR 324 N 7.40 -0.67 0.19 -0.32 0.05 -1.99 -1.97 116.97 119.67 3hhw h TYR 324 Ca 0.44 0.05 0.01 0.00 0.05 0.00 0.00 58.73 59.27 3hhw h TYR 324 Cb 0.86 0.35 -0.02 0.00 1.01 0.00 0.00 36.73 38.92 3hhw h TYR 324 CO 1.38 -0.33 -0.24 1.79 -1.05 0.00 0.00 178.16 179.71 3hhw h THR 325 N -0.20 0.47 -0.96 -2.88 1.35 -2.00 -1.39 112.91 107.29 3hhw h THR 325 Ca 0.17 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 66.06 3hhw h THR 325 Cb 0.48 0.47 -0.05 0.00 -1.73 0.00 0.00 68.15 67.31 3hhw h THR 325 CO -0.48 0.00 0.63 0.28 -0.25 0.00 0.00 175.52 175.71 3hhw h SER 326 N -0.49 1.07 0.31 5.36 0.02 -1.95 -2.47 113.55 115.40 3hhw h SER 326 Ca 0.01 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.80 3hhw h SER 326 Cb 0.48 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 3hhw h SER 326 CO -0.09 0.75 -0.56 -0.07 -1.14 0.00 0.00 176.83 175.72 3hhw h LEU 327 N 1.25 0.30 -0.16 5.07 3.38 -0.98 -2.59 115.31 121.58 3hhw h LEU 327 Ca 0.37 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 58.03 3hhw h LEU 327 Cb -0.06 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3hhw h LEU 327 CO -0.11 0.80 -0.48 0.71 0.09 0.00 0.00 178.44 179.45 3hhw h THR 328 N 0.20 1.33 -0.48 0.22 1.35 -1.00 -1.02 112.91 113.51 3hhw h THR 328 Ca 0.00 -1.74 0.08 0.00 -0.55 0.00 0.00 66.41 64.20 3hhw h THR 328 Cb 1.05 1.99 -0.07 0.00 -1.73 0.00 0.00 68.15 69.39 3hhw h THR 328 CO 0.09 0.54 0.08 0.74 -0.25 0.00 0.00 175.52 176.72 3hhw h THR 329 N 0.27 0.71 0.14 6.82 2.02 -1.44 0.27 112.91 121.71 3hhw h THR 329 Ca -0.02 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 3hhw h THR 329 Cb 1.11 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3hhw h THR 329 CO 0.10 0.04 -0.07 0.00 0.37 0.00 0.00 175.52 175.96 3hhw h ALA 330 N 1.38 -0.19 -1.00 6.16 0.00 -1.42 -1.54 119.26 122.66 3hhw h ALA 330 Ca 0.24 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3hhw h ALA 330 Cb 0.33 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3hhw h ALA 330 CO -0.33 -0.59 0.66 0.78 0.00 0.00 0.00 179.25 179.77 3hhw h GLY 331 N -0.22 1.44 1.03 0.00 0.00 -0.87 -1.65 103.07 102.80 3hhw h GLY 331 Ca -0.02 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 3hhw h GLY 331 CO 0.03 0.45 0.40 -2.00 0.00 0.00 0.00 176.54 175.42 3hhw h LEU 332 N 1.29 1.06 -0.41 3.11 5.85 -0.29 -0.12 115.31 125.79 3hhw h LEU 332 Ca 0.39 -0.13 -0.17 0.00 0.84 0.00 0.00 57.88 58.81 3hhw h LEU 332 Cb -0.04 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.71 3hhw h LEU 332 CO -0.11 0.89 -0.47 0.25 -0.34 0.00 0.00 178.44 178.66 3hhw h LEU 333 N 1.15 0.90 0.32 2.25 5.85 -0.69 -0.06 115.31 125.03 3hhw h LEU 333 Ca 0.28 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 3hhw h LEU 333 Cb 0.11 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3hhw h LEU 333 CO -0.04 1.22 -0.15 0.22 -0.34 0.00 0.00 178.44 179.35 3hhw h TYR 334 N 0.65 -0.40 -0.43 1.25 3.20 -1.20 -2.15 116.97 117.89 3hhw h TYR 334 Ca 0.04 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.99 3hhw h TYR 334 Cb 1.05 0.13 -0.09 0.00 1.54 0.00 0.00 36.73 39.36 3hhw h TYR 334 CO 0.06 -0.08 -0.23 0.00 -1.64 0.00 0.00 178.16 176.27 3hhw h ALA 335 N -0.18 0.06 -0.55 1.82 0.00 -0.99 -1.71 119.26 117.71 3hhw h ALA 335 Ca -0.04 0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.08 3hhw h ALA 335 Cb 0.49 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 3hhw h ALA 335 CO 0.07 -0.59 0.23 -0.92 0.00 0.00 0.00 179.25 178.04 3hhw h TYR 336 N -0.14 0.40 -0.07 0.00 3.20 -1.00 -0.77 116.97 118.59 3hhw h TYR 336 Ca 0.20 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.10 3hhw h TYR 336 Cb 0.46 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 3hhw h TYR 336 CO -0.47 0.15 0.05 0.00 -1.64 0.00 0.00 178.16 176.24 3hhw h ALA 337 N 1.35 0.09 -0.29 1.82 0.00 -0.69 -1.23 119.26 120.32 3hhw h ALA 337 Ca 0.26 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3hhw h ALA 337 Cb 0.26 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3hhw h ALA 337 CO -0.24 -0.42 0.14 0.28 0.00 0.00 0.00 179.25 179.02 3hhw h VAL 338 N 0.10 0.99 -0.21 0.00 2.07 -0.99 -2.53 116.25 115.68 3hhw h VAL 338 Ca 0.03 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 3hhw h VAL 338 Cb -0.01 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3hhw h VAL 338 CO -0.01 0.05 -0.18 1.23 0.02 0.00 0.00 177.57 178.69 3hhw h GLY 339 N 0.30 0.38 2.00 2.17 0.00 -0.96 -2.69 103.07 104.27 3hhw h GLY 339 Ca 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3hhw h GLY 339 CO -0.08 0.25 0.00 1.76 0.00 0.00 0.00 176.54 178.46 3hhw h SER 340 N 0.32 0.00 -2.99 0.19 0.02 -1.13 -3.40 113.55 106.56 3hhw h SER 340 Ca 0.06 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.39 3hhw h SER 340 Cb 0.50 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.62 3hhw h SER 340 CO 0.03 0.00 -0.58 -1.20 -1.14 0.00 0.00 176.83 173.95 3hhw n SER 341 N -3.10 3.08 -4.77 3.07 7.64 -0.96 -5.06 113.62 113.52 3hhw n SER 341 Ca 0.04 -3.23 -0.34 0.00 1.01 0.00 0.00 58.87 56.34 3hhw n SER 341 Cb 0.51 -0.75 0.01 0.00 -1.01 0.00 0.00 64.21 62.97 3hhw n SER 341 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hhw s ALA 342 N -1.57 2.64 0.00 -0.43 0.00 -1.26 -4.86 121.76 116.29 3hhw s ALA 342 Ca 0.26 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.96 3hhw s ALA 342 Cb -0.02 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3hhw s ALA 342 CO -0.16 -0.90 0.74 -0.25 0.00 0.00 0.00 175.76 175.19 3hhw n ASP 343 N -1.62 0.00 -3.05 0.00 9.92 -1.26 -4.96 116.55 115.58 3hhw n ASP 343 Ca 0.11 0.74 -0.13 0.00 -0.53 0.00 0.00 54.79 54.98 3hhw n ASP 343 Cb 0.51 -0.24 0.01 0.00 -0.64 0.00 0.00 41.12 40.77 3hhw n ASP 343 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3hhw n LEU 344 N -1.38 -5.75 -3.76 0.64 7.99 -1.26 -5.06 117.00 108.42 3hhw n LEU 344 Ca 0.00 0.56 -0.13 0.00 -0.01 0.00 0.00 56.01 56.43 3hhw n LEU 344 Cb 0.00 -2.58 -0.10 0.00 -0.11 0.00 0.00 43.42 40.63 3hhw n LEU 344 CO 0.00 -1.80 0.00 0.00 -1.51 0.00 0.00 177.39 174.08 3hhw s ALA 345 N -1.77 -0.78 0.35 -1.18 0.00 -1.26 -5.14 121.76 111.97 3hhw s ALA 345 Ca 0.18 0.66 -0.29 0.00 0.00 0.00 0.00 51.96 52.51 3hhw s ALA 345 Cb -0.03 -0.28 -0.11 0.00 0.00 0.00 0.00 23.12 22.70 3hhw s ALA 345 CO 0.65 -0.20 1.51 -1.14 0.00 0.00 0.00 175.76 176.58 3hhw s GLN 346 N -0.46 4.13 -0.10 0.00 0.74 -1.26 -4.94 119.66 117.77 3hhw s GLN 346 Ca -0.06 2.55 0.09 0.00 0.05 0.00 0.00 55.36 57.99 3hhw s GLN 346 Cb -0.04 -2.99 -0.12 0.00 1.10 0.00 0.00 33.01 30.96 3hhw s GLN 346 CO 0.02 -0.54 0.03 1.04 -0.55 0.00 0.00 175.29 175.29 3hhw n GLN 347 N 1.03 2.28 -4.09 1.67 1.13 -1.26 -5.05 117.38 113.10 3hhw n GLN 347 Ca 0.03 -0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.97 3hhw n GLN 347 Cb 0.39 -1.26 -0.11 0.00 0.11 0.00 0.00 30.24 29.37 3hhw n GLN 347 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3hhw s PHE 348 N -2.25 0.69 0.09 1.08 0.08 -1.26 -5.18 117.98 111.23 3hhw s PHE 348 Ca -0.05 -0.67 -0.05 0.00 0.12 0.00 0.00 56.93 56.27 3hhw s PHE 348 Cb 0.03 -0.41 -0.02 0.00 -0.57 0.00 0.00 43.02 42.05 3hhw s PHE 348 CO 0.41 -0.14 0.11 0.00 -0.10 0.00 0.00 175.22 175.50 3hhw n VAL 350 N -0.02 1.01 0.00 0.00 0.31 -1.26 -4.95 118.33 113.42 3hhw n VAL 350 Ca -0.13 -0.54 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 3hhw n VAL 350 Cb 0.62 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 3hhw n VAL 350 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hhw n GLY 351 N 2.27 0.30 3.26 2.92 0.00 -1.26 -5.13 105.19 107.56 3hhw n GLY 351 Ca -0.26 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 3hhw n GLY 351 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hhw s ASP 352 N -1.16 2.72 0.26 1.61 3.84 -1.26 -5.15 116.67 117.53 3hhw s ASP 352 Ca 0.00 -0.42 0.06 0.00 -0.00 0.00 0.00 52.55 52.19 3hhw s ASP 352 Cb 0.00 -0.30 -0.05 0.00 -1.38 0.00 0.00 42.92 41.18 3hhw s ASP 352 CO 0.00 0.29 -0.07 0.54 -0.00 0.00 0.00 175.17 175.93 3hhw s ASN 353 N -0.54 2.56 -0.08 2.11 4.22 -1.26 -4.87 114.94 117.08 3hhw s ASN 353 Ca 0.09 -1.16 -0.19 0.00 -2.14 0.00 0.00 52.86 49.46 3hhw s ASN 353 Cb -0.09 -0.13 -0.05 0.00 1.28 0.00 0.00 41.25 42.26 3hhw s ASN 353 CO -0.01 -0.34 0.50 -0.75 -2.04 0.00 0.00 177.10 174.47 3hhw s LYS 354 N -3.74 4.29 -0.25 3.55 2.36 -1.26 -5.00 119.74 119.70 3hhw s LYS 354 Ca 0.28 0.53 0.10 0.00 -2.55 0.00 0.00 55.97 54.33 3hhw s LYS 354 Cb 0.03 -3.39 0.45 0.00 -1.05 0.00 0.00 37.83 33.87 3hhw s LYS 354 CO 0.10 0.26 1.19 2.48 1.55 0.00 0.00 175.35 180.94 3hhw n TYR 355 N 3.24 1.55 -3.18 4.03 0.18 -1.26 -4.84 117.16 116.88 3hhw n TYR 355 Ca -0.08 -1.88 -0.19 0.00 1.88 0.00 0.00 57.90 57.64 3hhw n TYR 355 Cb 0.52 -0.29 0.01 0.00 -0.38 0.00 0.00 39.34 39.19 3hhw n TYR 355 CO 0.00 0.00 0.00 -2.37 -2.08 0.00 0.00 176.86 172.41 3hhw n THR 356 N -0.80 -2.18 0.00 -3.48 5.66 -1.26 -4.89 114.28 107.33 3hhw n THR 356 Ca 0.31 0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.32 3hhw n THR 356 Cb 0.87 -1.96 0.00 0.00 -1.55 0.00 0.00 70.33 67.69 3hhw n THR 356 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3hhw n PRO 357 N -1.47 0.00 0.02 1.09 -0.02 -1.26 -4.89 135.00 128.47 3hhw n PRO 357 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 3hhw n PRO 357 Cb 0.45 -0.19 0.00 0.00 -0.02 0.00 0.00 33.50 33.74 3hhw n PRO 357 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3hhw n ASP 358 N 0.00 0.00 -4.62 2.55 8.00 -1.26 -5.05 116.55 116.17 3hhw n ASP 358 Ca 0.00 0.06 -0.43 0.00 0.71 0.00 0.00 54.79 55.13 3hhw n ASP 358 Cb 0.00 0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 3hhw n ASP 358 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3hhw s ASP 359 N -4.30 5.97 0.00 -2.24 1.01 -1.26 -4.65 116.67 111.21 3hhw s ASP 359 Ca 0.00 1.81 0.00 0.00 0.71 0.00 0.00 52.55 55.07 3hhw s ASP 359 Cb 0.00 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.41 3hhw s ASP 359 CO 0.00 -1.56 0.00 -1.54 0.21 0.00 0.00 175.17 172.28 3hhw n SER 360 N 9.78 0.00 0.00 0.27 3.41 -1.26 -5.02 113.62 120.81 3hhw n SER 360 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 3hhw n SER 360 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 3hhw n SER 360 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3hhw n THR 361 N 0.00 0.00 -3.29 6.66 -1.04 -1.26 -4.95 114.28 110.39 3hhw n THR 361 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 3hhw n THR 361 Cb 0.00 -0.42 -0.04 0.00 -1.82 0.00 0.00 70.33 68.06 3hhw n THR 361 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hhw n GLY 362 N 1.00 4.78 0.00 3.41 0.00 -1.26 -4.66 105.19 108.47 3hhw n GLY 362 Ca 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 46.02 43.34 3hhw n GLY 362 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hhw n GLY 363 N 1.46 -0.63 2.54 -0.02 0.00 -1.26 -5.01 105.19 102.26 3hhw n GLY 363 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.27 3hhw n GLY 363 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hhw n LEU 364 N -0.07 0.43 -1.28 0.99 4.77 -1.26 -4.84 117.00 115.74 3hhw n LEU 364 Ca 0.00 0.03 -0.04 0.00 -0.03 0.00 0.00 56.01 55.96 3hhw n LEU 364 Cb 0.07 -1.63 0.10 0.00 -2.33 0.00 0.00 43.42 39.63 3hhw n LEU 364 CO 0.00 -0.56 0.67 0.41 -1.33 0.00 0.00 177.39 176.58 3hhw n THR 365 N -2.46 1.50 -0.64 -5.08 -1.04 -1.26 -4.63 114.28 100.66 3hhw n THR 365 Ca -0.01 -0.63 -0.06 0.00 -2.04 0.00 0.00 64.05 61.31 3hhw n THR 365 Cb 0.29 -0.65 0.01 0.00 -1.82 0.00 0.00 70.33 68.15 3hhw n THR 365 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 3hhw n THR 366 N 0.03 2.28 -1.93 12.58 5.66 -1.26 -4.15 114.28 127.49 3hhw n THR 366 Ca 0.17 -0.91 -0.39 0.00 -3.05 0.00 0.00 64.05 59.87 3hhw n THR 366 Cb 0.80 -1.45 0.03 0.00 -1.55 0.00 0.00 70.33 68.16 3hhw n THR 366 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 3hhw n ASN 367 N 1.13 7.43 -3.63 1.09 3.02 -1.26 -4.96 115.26 118.08 3hhw n ASN 367 Ca 0.11 -3.76 -0.10 0.00 -0.03 0.00 0.00 54.58 50.79 3hhw n ASN 367 Cb 0.53 -1.10 -0.03 0.00 -0.61 0.00 0.00 39.78 38.57 3hhw n ASN 367 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hhw s ALA 368 N -3.85 -1.17 0.85 5.41 0.00 -1.26 -5.18 121.76 116.56 3hhw s ALA 368 Ca 0.52 0.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.39 3hhw s ALA 368 Cb 0.41 0.84 0.10 0.00 0.00 0.00 0.00 23.12 24.47 3hhw s ALA 368 CO -0.38 -0.79 1.09 -1.25 0.00 0.00 0.00 175.76 174.44 3hhw s PRO 369 N -3.83 1.61 0.58 0.00 0.04 -1.26 -5.00 135.00 127.15 3hhw s PRO 369 Ca 0.06 0.81 -0.21 0.00 0.04 0.00 0.00 61.00 61.70 3hhw s PRO 369 Cb -0.01 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 3hhw s PRO 369 CO -0.07 -1.99 1.35 -2.14 0.04 0.00 0.00 177.00 174.19 3hhw s PRO 370 N -4.99 2.93 0.11 0.56 0.02 -1.26 -4.97 135.00 127.40 3hhw s PRO 370 Ca 0.62 2.21 -0.16 0.00 0.02 0.00 0.00 61.00 63.69 3hhw s PRO 370 Cb -0.17 -2.13 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 3hhw s PRO 370 CO 0.56 -1.34 1.56 1.96 -0.33 0.00 0.00 177.00 179.41 3hhw h GLN 371 N 1.16 0.58 0.00 5.54 1.08 -1.94 -3.47 115.11 118.06 3hhw h GLN 371 Ca -0.51 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 56.51 3hhw h GLN 371 Cb 1.31 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 3hhw h GLN 371 CO 0.56 0.70 0.00 0.41 -0.95 0.00 0.00 178.83 179.54 3hhw n GLY 372 N -0.38 1.39 0.21 3.46 0.00 -1.26 -4.69 105.19 103.91 3hhw n GLY 372 Ca -0.02 -1.77 0.08 0.00 0.00 0.00 0.00 46.02 44.31 3hhw n GLY 372 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hhw n ARG 373 N 0.00 1.04 -2.14 1.61 1.74 -1.26 -4.83 116.66 112.82 3hhw n ARG 373 Ca 0.00 -2.33 -0.43 0.00 -0.77 0.00 0.00 57.85 54.33 3hhw n ARG 373 Cb 0.00 -1.30 -0.03 0.00 -1.02 0.00 0.00 32.46 30.12 3hhw n ARG 373 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hhw s ASP 374 N -2.54 6.61 0.31 0.55 2.15 -1.26 -4.91 116.67 117.57 3hhw s ASP 374 Ca 0.27 1.86 -0.00 0.00 0.43 0.00 0.00 52.55 55.10 3hhw s ASP 374 Cb 0.24 -2.53 0.50 0.00 -0.30 0.00 0.00 42.92 40.83 3hhw s ASP 374 CO 0.01 -1.03 1.95 1.62 -0.17 0.00 0.00 175.17 177.56 3hhw h VAL 375 N 5.80 1.15 -0.64 1.11 3.04 -1.96 -2.65 116.25 122.09 3hhw h VAL 375 Ca -0.34 -0.36 -0.07 0.00 -1.01 0.00 0.00 66.70 64.92 3hhw h VAL 375 Cb 1.15 0.01 -0.03 0.00 -2.01 0.00 0.00 31.29 30.41 3hhw h VAL 375 CO 0.98 0.19 0.14 0.58 -1.01 0.00 0.00 177.57 178.45 3hhw h VAL 376 N 1.05 1.25 -0.43 1.51 2.07 -1.96 0.23 116.25 119.98 3hhw h VAL 376 Ca 0.33 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 3hhw h VAL 376 Cb 0.00 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3hhw h VAL 376 CO -0.09 0.36 0.11 -0.33 0.02 0.00 0.00 177.57 177.64 3hhw h GLU 377 N 0.97 0.68 -0.29 1.57 5.08 -1.91 -2.60 114.58 118.08 3hhw h GLU 377 Ca 0.20 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 3hhw h GLU 377 Cb 0.37 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3hhw h GLU 377 CO 0.00 0.68 -0.29 -1.49 -1.00 0.00 0.00 179.01 176.92 3hhw h TRP 378 N 0.55 0.68 -0.63 4.33 4.06 -1.08 -0.59 115.95 123.28 3hhw h TRP 378 Ca 0.14 -0.16 -0.06 0.00 2.06 0.00 0.00 58.89 60.86 3hhw h TRP 378 Cb 0.30 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.28 3hhw h TRP 378 CO 0.02 0.82 0.15 -0.07 -3.56 0.00 0.00 178.44 175.80 3hhw h LEU 379 N 0.51 0.92 -0.36 -4.49 3.38 -0.54 0.19 115.31 114.93 3hhw h LEU 379 Ca 0.07 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 3hhw h LEU 379 Cb 0.76 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3hhw h LEU 379 CO 0.06 0.90 -0.07 1.23 0.09 0.00 0.00 178.44 180.64 3hhw h GLY 380 N 1.04 0.74 1.39 0.83 0.00 -1.22 -2.04 103.07 103.80 3hhw h GLY 380 Ca 0.20 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 3hhw h GLY 380 CO 0.00 0.55 0.14 -0.25 0.00 0.00 0.00 176.54 176.97 3hhw h TRP 381 N 0.48 0.79 -0.10 5.60 7.01 -0.78 -2.35 115.95 126.60 3hhw h TRP 381 Ca 0.09 -0.06 -0.14 0.00 2.11 0.00 0.00 58.89 60.88 3hhw h TRP 381 Cb 0.57 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 3hhw h TRP 381 CO 0.05 0.66 -0.57 0.35 -2.79 0.00 0.00 178.44 176.14 3hhw h PHE 382 N 0.75 0.39 -0.05 2.65 3.57 -0.53 -2.85 116.94 120.88 3hhw h PHE 382 Ca 0.17 -0.14 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 3hhw h PHE 382 Cb 0.26 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3hhw h PHE 382 CO 0.01 0.80 -0.35 0.93 -2.23 0.00 0.00 178.31 177.48 3hhw h GLU 383 N 0.23 0.10 0.00 1.11 5.08 -1.03 -1.53 114.58 118.54 3hhw h GLU 383 Ca -0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3hhw h GLU 383 Cb 1.07 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 3hhw h GLU 383 CO 0.09 0.44 -0.16 -0.44 -1.00 0.00 0.00 179.01 177.94 3hhw h ASP 384 N 0.09 0.00 -0.37 1.42 3.32 -1.20 -2.21 116.42 117.47 3hhw h ASP 384 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3hhw h ASP 384 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3hhw h ASP 384 CO 0.05 0.16 0.00 0.00 -1.72 0.00 0.00 179.24 177.73 3hhw n GLN 385 N -3.62 2.39 -1.78 3.56 1.13 -0.95 -4.89 117.38 113.22 3hhw n GLN 385 Ca -0.01 -1.56 -0.18 0.00 -1.94 0.00 0.00 57.00 53.32 3hhw n GLN 385 Cb 0.29 -1.54 -0.05 0.00 0.11 0.00 0.00 30.24 29.05 3hhw n GLN 385 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3hhw n ASN 386 N 0.56 -5.12 -1.71 1.08 3.02 -0.83 -3.18 115.26 109.07 3hhw n ASN 386 Ca 0.14 0.29 -0.18 0.00 -0.03 0.00 0.00 54.58 54.80 3hhw n ASN 386 Cb 0.50 -4.18 -0.04 0.00 -0.61 0.00 0.00 39.78 35.45 3hhw n ASN 386 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3hhw n ARG 387 N -2.56 -1.33 -4.94 3.52 1.74 -0.62 -5.02 116.66 107.46 3hhw n ARG 387 Ca -0.19 0.99 -0.27 0.00 -0.77 0.00 0.00 57.85 57.61 3hhw n ARG 387 Cb 0.60 -5.36 -0.16 0.00 -1.02 0.00 0.00 32.46 26.52 3hhw n ARG 387 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3hhw s LYS 388 N -4.23 1.83 0.25 5.56 -2.85 -1.19 -5.07 119.74 114.04 3hhw s LYS 388 Ca 0.00 -0.68 -0.30 0.00 -1.00 0.00 0.00 55.97 53.98 3hhw s LYS 388 Cb 0.00 -1.64 -0.14 0.00 -2.06 0.00 0.00 37.83 34.00 3hhw s LYS 388 CO 0.00 0.32 1.26 -2.30 0.10 0.00 0.00 175.35 174.74 3hhw n PRO 389 N 2.93 1.75 -1.56 1.78 -0.02 -1.26 -4.91 135.00 133.72 3hhw n PRO 389 Ca -0.17 0.62 -0.31 0.00 -2.02 0.00 0.00 63.50 61.62 3hhw n PRO 389 Cb 0.53 -2.18 0.07 0.00 -0.02 0.00 0.00 33.50 31.90 3hhw n PRO 389 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hhw s THR 390 N -0.46 3.62 0.25 3.45 -4.23 -1.26 -4.84 115.64 112.17 3hhw s THR 390 Ca 0.65 0.52 -0.03 0.00 -1.18 0.00 0.00 61.69 61.66 3hhw s THR 390 Cb -0.68 -3.26 0.22 0.00 1.34 0.00 0.00 72.50 70.12 3hhw s THR 390 CO 0.54 -0.69 1.75 -0.65 -0.54 0.00 0.00 174.62 175.03 3hhw h PRO 391 N -0.88 0.52 -0.35 3.99 0.11 -1.99 -0.88 132.00 132.52 3hhw h PRO 391 Ca -0.45 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 3hhw h PRO 391 Cb 1.23 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3hhw h PRO 391 CO 0.58 0.34 -0.02 0.22 -0.21 0.00 0.00 178.00 178.91 3hhw h ASP 392 N 0.53 0.52 -0.08 -2.05 1.82 -1.98 0.15 116.42 115.33 3hhw h ASP 392 Ca 0.43 -0.11 -0.01 0.00 -0.39 0.00 0.00 57.03 56.96 3hhw h ASP 392 Cb 0.62 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.49 3hhw h ASP 392 CO -0.38 0.60 0.02 0.24 -1.61 0.00 0.00 179.24 178.11 3hhw h MET 393 N 0.53 0.14 -0.19 0.28 2.86 -1.73 -1.32 114.93 115.49 3hhw h MET 393 Ca 0.11 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3hhw h MET 393 Cb 0.36 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 3hhw h MET 393 CO 0.01 0.34 -0.06 0.52 1.06 0.00 0.00 176.91 178.78 3hhw h MET 394 N -0.09 0.28 -0.18 1.72 2.86 -0.61 -2.35 114.93 116.56 3hhw h MET 394 Ca 0.03 -0.05 -0.16 0.00 -2.06 0.00 0.00 59.70 57.45 3hhw h MET 394 Cb 0.27 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3hhw h MET 394 CO 0.00 0.36 -0.51 0.37 1.06 0.00 0.00 176.91 178.19 3hhw h GLN 395 N 0.28 0.66 -0.85 1.72 5.75 -0.67 -1.83 115.11 120.16 3hhw h GLN 395 Ca 0.06 -0.47 0.07 0.00 -0.15 0.00 0.00 58.65 58.16 3hhw h GLN 395 Cb 0.29 0.08 -0.06 0.00 1.07 0.00 0.00 27.48 28.85 3hhw h GLN 395 CO 0.01 1.09 0.52 -0.92 -2.65 0.00 0.00 178.83 176.89 3hhw h TYR 396 N 0.34 0.96 -0.15 3.99 3.20 -0.81 0.68 116.97 125.19 3hhw h TYR 396 Ca -0.01 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.71 3hhw h TYR 396 Cb 1.13 -0.31 0.01 0.00 1.54 0.00 0.00 36.73 39.10 3hhw h TYR 396 CO 0.09 0.47 -0.61 0.00 -1.64 0.00 0.00 178.16 176.48 3hhw h ALA 397 N 1.42 0.27 -0.53 1.82 0.00 -1.47 -2.35 119.26 118.42 3hhw h ALA 397 Ca 0.38 -0.54 0.11 0.00 0.00 0.00 0.00 54.91 54.86 3hhw h ALA 397 Cb 0.21 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 3hhw h ALA 397 CO -0.19 0.53 0.01 -0.22 0.00 0.00 0.00 179.25 179.38 3hhw h LYS 398 N 0.35 0.12 -0.81 0.00 1.63 -0.87 -1.95 116.57 115.05 3hhw h LYS 398 Ca -0.03 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3hhw h LYS 398 Cb 1.24 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.80 3hhw h LYS 398 CO 0.13 0.08 0.51 0.00 -3.45 0.00 0.00 179.45 176.72 3hhw h ARG 399 N 0.13 1.08 0.00 1.90 3.08 -0.81 -1.29 114.38 118.47 3hhw h ARG 399 Ca 0.27 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3hhw h ARG 399 Cb 0.42 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3hhw h ARG 399 CO -0.44 0.74 0.00 0.00 -1.07 0.00 0.00 179.97 179.20 3hhw h ALA 400 N 1.28 1.00 0.00 0.04 0.00 -0.82 -3.31 119.26 117.45 3hhw h ALA 400 Ca 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 3hhw h ALA 400 Cb -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3hhw h ALA 400 CO -0.06 0.00 -1.54 1.33 0.00 0.00 0.00 179.25 178.98 3hhw n VAL 401 N -3.03 0.42 -1.73 0.00 0.24 -0.82 -4.88 118.33 108.53 3hhw n VAL 401 Ca 0.02 -0.32 -0.37 0.00 -2.04 0.00 0.00 64.34 61.63 3hhw n VAL 401 Cb 0.35 -0.47 0.07 0.00 -1.47 0.00 0.00 33.84 32.33 3hhw n VAL 401 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hhw s MET 402 N -2.33 2.54 -1.33 7.34 0.23 -0.50 -2.48 119.30 122.76 3hhw s MET 402 Ca -0.04 2.01 -0.06 0.00 -1.03 0.00 0.00 55.69 56.56 3hhw s MET 402 Cb 0.04 -1.85 0.02 0.00 -1.53 0.00 0.00 34.83 31.50 3hhw s MET 402 CO 0.36 -1.59 1.07 -1.13 -2.03 0.00 0.00 175.02 171.69 3hhw n SER 403 N -1.98 -4.50 -4.27 -1.18 3.41 -1.26 -4.96 113.62 98.89 3hhw n SER 403 Ca 0.15 -0.62 -0.34 0.00 -0.26 0.00 0.00 58.87 57.81 3hhw n SER 403 Cb 0.48 -4.84 -0.15 0.00 -0.26 0.00 0.00 64.21 59.45 3hhw n SER 403 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hhw s LEU 404 N -6.98 2.64 0.30 1.04 1.43 -1.04 -5.14 118.68 110.93 3hhw s LEU 404 Ca 0.38 -0.45 0.10 0.00 -1.03 0.00 0.00 54.13 53.13 3hhw s LEU 404 Cb -0.17 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 3hhw s LEU 404 CO 0.75 0.03 -0.10 0.00 0.23 0.00 0.00 176.35 177.26 3hhw s GLN 405 N 1.19 1.91 -1.00 1.70 -2.07 -1.26 -4.79 119.66 115.34 3hhw s GLN 405 Ca 0.02 -1.72 -0.01 0.00 -1.82 0.00 0.00 55.36 51.82 3hhw s GLN 405 Cb -0.14 -1.87 0.00 0.00 -1.09 0.00 0.00 33.01 29.91 3hhw s GLN 405 CO -0.04 0.26 0.84 0.41 -1.32 0.00 0.00 175.29 175.44 3hhw n GLY 406 N -0.78 -0.22 3.67 2.60 0.00 -1.26 -4.99 105.19 104.21 3hhw n GLY 406 Ca -0.05 0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 3hhw n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hhw s LEU 407 N -5.65 4.16 0.61 0.99 1.43 -1.26 -5.06 118.68 113.90 3hhw s LEU 407 Ca 0.08 0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 53.82 3hhw s LEU 407 Cb -0.03 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 3hhw s LEU 407 CO 0.59 -0.20 1.01 -0.13 0.23 0.00 0.00 176.35 177.86 3hhw s ARG 408 N 1.64 3.58 0.58 1.70 0.52 -1.26 -4.94 118.95 120.78 3hhw s ARG 408 Ca 0.26 0.71 -0.18 0.00 -0.52 0.00 0.00 55.73 55.99 3hhw s ARG 408 Cb -0.16 -2.10 -0.04 0.00 0.52 0.00 0.00 34.95 33.18 3hhw s ARG 408 CO 0.10 -0.55 1.13 -2.00 0.02 0.00 0.00 175.30 174.00 3hhw s GLU 409 N -5.15 3.14 -1.16 3.54 2.56 -1.26 -3.89 118.70 116.49 3hhw s GLU 409 Ca 0.54 1.56 -0.06 0.00 0.00 0.00 0.00 54.97 57.01 3hhw s GLU 409 Cb -0.11 -1.98 0.01 0.00 2.00 0.00 0.00 34.13 34.05 3hhw s GLU 409 CO 0.53 -1.01 1.00 1.17 -0.56 0.00 0.00 175.26 176.40 3hhw n LYS 410 N -1.69 -6.73 -4.40 4.30 0.00 -1.26 -5.00 118.16 103.38 3hhw n LYS 410 Ca 0.11 0.73 -0.21 0.00 0.00 0.00 0.00 58.31 58.95 3hhw n LYS 410 Cb 0.51 -5.46 -0.10 0.00 0.00 0.00 0.00 35.03 29.98 3hhw n LYS 410 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3hhw s THR 411 N -3.29 2.05 0.09 3.15 2.01 -1.25 -2.37 115.64 116.03 3hhw s THR 411 Ca 0.40 -2.28 -0.20 0.00 0.31 0.00 0.00 61.69 59.92 3hhw s THR 411 Cb -0.17 -2.14 -0.10 0.00 0.01 0.00 0.00 72.50 70.10 3hhw s THR 411 CO 0.64 -0.50 1.63 0.40 -0.69 0.00 0.00 174.62 176.10 3hhw h ILE 412 N 2.48 1.16 -0.37 1.82 1.08 -1.10 -0.72 117.51 121.86 3hhw h ILE 412 Ca -0.39 -0.47 0.05 0.00 -0.39 0.00 0.00 64.86 63.65 3hhw h ILE 412 Cb 1.24 1.15 -0.04 0.00 -3.07 0.00 0.00 36.82 36.09 3hhw h ILE 412 CO 0.60 0.15 0.11 1.23 -0.69 0.00 0.00 178.15 179.56 3hhw h GLY 413 N 0.13 0.46 1.80 5.37 0.00 -1.67 0.15 103.07 109.31 3hhw h GLY 413 Ca 0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3hhw h GLY 413 CO -0.00 0.01 -0.16 1.70 0.00 0.00 0.00 176.54 178.08 3hhw h LYS 414 N 0.25 0.25 0.34 4.80 1.63 -1.78 -1.77 116.57 120.29 3hhw h LYS 414 Ca 0.17 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 3hhw h LYS 414 Cb 0.17 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 3hhw h LYS 414 CO -0.20 0.42 -0.16 -0.92 -3.45 0.00 0.00 179.45 175.14 3hhw h TYR 415 N 0.23 -0.42 -0.67 1.91 3.20 -0.11 -2.80 116.97 118.30 3hhw h TYR 415 Ca 0.04 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3hhw h TYR 415 Cb 0.43 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 3hhw h TYR 415 CO 0.01 -0.09 0.39 0.00 -1.64 0.00 0.00 178.16 176.83 3hhw h ALA 416 N -0.30 0.86 -0.76 1.82 0.00 -0.64 -1.15 119.26 119.07 3hhw h ALA 416 Ca -0.05 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3hhw h ALA 416 Cb 0.52 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3hhw h ALA 416 CO 0.08 0.34 0.26 -0.22 0.00 0.00 0.00 179.25 179.71 3hhw h LYS 417 N 0.91 1.16 0.00 0.00 3.64 -1.43 0.33 116.57 121.18 3hhw h LYS 417 Ca 0.24 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3hhw h LYS 417 Cb -0.01 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 3hhw h LYS 417 CO -0.04 0.97 -0.03 1.03 -2.27 0.00 0.00 179.45 179.11 3hhw h SER 418 N 1.12 0.00 0.08 4.20 0.87 -1.17 -0.97 113.55 117.67 3hhw h SER 418 Ca 0.25 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.44 3hhw h SER 418 Cb 0.27 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.20 3hhw h SER 418 CO -0.01 0.03 -2.11 1.21 -0.53 0.00 0.00 176.83 175.42 3hhw n GLU 419 N -3.16 0.71 -0.06 2.24 4.07 -0.47 -4.72 120.64 119.25 3hhw n GLU 419 Ca -0.00 0.25 -0.05 0.00 -0.06 0.00 0.00 57.16 57.30 3hhw n GLU 419 Cb 0.26 -1.65 -0.11 0.00 -0.06 0.00 0.00 31.44 29.89 3hhw n GLU 419 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3hhw n PHE 420 N -3.51 0.00 -3.10 4.31 3.72 0.11 -4.76 117.46 114.22 3hhw n PHE 420 Ca -0.37 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.59 3hhw n PHE 420 Cb 1.00 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 3hhw n PHE 420 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3hhw n ASP 421 N -2.43 5.69 -0.49 4.37 2.03 -0.37 -4.33 116.55 121.02 3hhw n ASP 421 Ca -0.19 -3.14 0.06 0.00 0.52 0.00 0.00 54.79 52.04 3hhw n ASP 421 Cb 0.86 -1.39 0.05 0.00 -0.72 0.00 0.00 41.12 39.92 3hhw n ASP 421 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57