#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhw n VAL 3 N 0.00 1.50 -3.45 0.44 0.31 -1.26 -4.94 118.33 110.93 3hhw n VAL 3 Ca 0.00 0.01 -0.38 0.00 -0.01 0.00 0.00 64.34 63.97 3hhw n VAL 3 Cb 0.00 -2.14 -0.08 0.00 -0.91 0.00 0.00 33.84 30.72 3hhw n VAL 3 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3hhw s THR 4 N -2.36 5.24 -0.13 2.52 2.01 -1.26 -5.00 115.64 116.66 3hhw s THR 4 Ca -0.26 0.60 -0.01 0.00 0.31 0.00 0.00 61.69 62.33 3hhw s THR 4 Cb 0.06 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.87 3hhw s THR 4 CO 0.47 0.28 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.88 3hhw s VAL 5 N 1.17 3.17 0.26 3.82 1.01 -1.26 -5.08 120.40 123.48 3hhw s VAL 5 Ca 0.17 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.62 3hhw s VAL 5 Cb -0.14 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 3hhw s VAL 5 CO 0.07 0.52 0.02 -0.54 0.00 0.00 0.00 175.10 175.17 3hhw s LYS 6 N 0.34 2.39 -0.18 2.72 1.02 -1.26 -1.17 119.74 123.61 3hhw s LYS 6 Ca -0.10 -1.35 -0.07 0.00 0.02 0.00 0.00 55.97 54.47 3hhw s LYS 6 Cb -0.16 -2.23 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 3hhw s LYS 6 CO 0.05 0.38 0.07 -0.98 -0.92 0.00 0.00 175.35 173.95 3hhw s ARG 7 N -3.65 3.93 0.34 1.68 1.70 -0.67 -4.86 118.95 117.43 3hhw s ARG 7 Ca 0.31 -0.32 0.25 0.00 -0.47 0.00 0.00 55.73 55.51 3hhw s ARG 7 Cb -0.07 -3.22 1.22 0.00 -0.57 0.00 0.00 34.95 32.31 3hhw s ARG 7 CO 0.20 0.33 1.77 -0.84 -1.08 0.00 0.00 175.30 175.68 3hhw h ILE 8 N 4.76 0.00 0.03 4.99 3.07 -1.95 -0.23 117.51 128.18 3hhw h ILE 8 Ca -0.39 -0.14 -0.38 0.00 1.55 0.00 0.00 64.86 65.51 3hhw h ILE 8 Cb 1.17 0.80 -0.05 0.00 -0.27 0.00 0.00 36.82 38.47 3hhw h ILE 8 CO 0.70 0.00 -2.16 0.00 -1.05 0.00 0.00 178.15 175.64 3hhw n ILE 9 N -2.39 1.57 0.09 0.16 0.13 -1.26 -4.49 119.36 113.18 3hhw n ILE 9 Ca 0.00 -0.43 0.09 0.00 -1.10 0.00 0.00 62.75 61.30 3hhw n ILE 9 Cb 0.14 -1.74 -0.01 0.00 -0.84 0.00 0.00 39.64 37.18 3hhw n ILE 9 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 3hhw h ASP 10 N -0.47 0.00 0.00 9.51 3.32 -2.00 -3.47 116.42 123.31 3hhw h ASP 10 Ca -0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.51 3hhw h ASP 10 Cb 1.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.28 3hhw h ASP 10 CO -0.17 0.15 0.00 -3.20 -1.72 0.00 0.00 179.24 174.30 3hhw n ASN 11 N -2.76 0.00 -4.78 6.45 5.15 -0.10 -5.00 115.26 114.21 3hhw n ASN 11 Ca -0.02 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.60 3hhw n ASN 11 Cb 0.62 -0.91 -0.03 0.00 -0.53 0.00 0.00 39.78 38.93 3hhw n ASN 11 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3hhw s THR 12 N -2.41 3.54 0.34 -0.44 -4.23 -1.26 -4.63 115.64 106.55 3hhw s THR 12 Ca 0.00 1.11 -0.26 0.00 -1.18 0.00 0.00 61.69 61.36 3hhw s THR 12 Cb 0.00 -3.54 -0.09 0.00 1.34 0.00 0.00 72.50 70.21 3hhw s THR 12 CO 0.00 -0.06 1.02 -0.69 -0.54 0.00 0.00 174.62 174.35 3hhw s VAL 13 N -1.70 3.84 -0.02 2.29 1.01 -1.26 -1.67 120.40 122.88 3hhw s VAL 13 Ca 0.62 1.57 0.07 0.00 0.00 0.00 0.00 61.98 64.24 3hhw s VAL 13 Cb -0.23 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 3hhw s VAL 13 CO 0.28 0.16 -0.22 -0.51 0.00 0.00 0.00 175.10 174.81 3hhw s ILE 14 N -1.50 1.73 -0.39 2.22 2.07 -0.32 -4.92 121.20 120.10 3hhw s ILE 14 Ca 0.51 -0.93 -0.01 0.00 -1.41 0.00 0.00 60.65 58.81 3hhw s ILE 14 Cb -0.24 -1.44 0.11 0.00 0.13 0.00 0.00 42.46 41.02 3hhw s ILE 14 CO 0.30 0.49 0.16 -0.69 -1.91 0.00 0.00 174.94 173.29 3hhw s VAL 15 N -0.48 2.97 -0.02 4.00 1.01 -1.26 -4.00 120.40 122.62 3hhw s VAL 15 Ca 0.07 -2.20 -0.30 0.00 0.00 0.00 0.00 61.98 59.56 3hhw s VAL 15 Cb -0.09 -3.07 -0.06 0.00 0.00 0.00 0.00 36.38 33.15 3hhw s VAL 15 CO -0.01 -0.67 1.67 -2.84 0.00 0.00 0.00 175.10 173.25 3hhw s PRO 16 N 1.01 4.19 0.07 2.72 0.02 -1.26 -5.02 135.00 136.72 3hhw s PRO 16 Ca 0.09 2.24 0.03 0.00 0.02 0.00 0.00 61.00 63.39 3hhw s PRO 16 Cb -0.22 -3.91 -0.03 0.00 0.02 0.00 0.00 34.50 30.37 3hhw s PRO 16 CO -0.05 -0.82 -0.10 0.15 -0.33 0.00 0.00 177.00 175.85 3hhw s LYS 17 N 3.73 0.70 0.18 5.54 1.02 -1.26 -5.16 119.74 124.49 3hhw s LYS 17 Ca 0.74 -0.95 0.10 0.00 0.02 0.00 0.00 55.97 55.88 3hhw s LYS 17 Cb -0.35 -0.47 -0.04 0.00 -0.52 0.00 0.00 37.83 36.44 3hhw s LYS 17 CO 0.31 0.08 -0.21 -0.51 -0.92 0.00 0.00 175.35 174.10 3hhw s LEU 18 N -1.96 2.44 0.42 3.17 1.43 -1.26 -5.12 118.68 117.80 3hhw s LEU 18 Ca -0.02 -0.87 -0.24 0.00 -1.03 0.00 0.00 54.13 51.97 3hhw s LEU 18 Cb -0.07 -0.99 -0.11 0.00 0.03 0.00 0.00 46.19 45.05 3hhw s LEU 18 CO 0.00 0.04 0.92 -2.65 0.23 0.00 0.00 176.35 174.89 3hhw n PRO 19 N 0.27 1.17 -1.82 1.29 -0.02 -1.26 -4.82 135.00 129.81 3hhw n PRO 19 Ca -0.13 0.42 -0.38 0.00 -2.02 0.00 0.00 63.50 61.39 3hhw n PRO 19 Cb 0.57 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 3hhw n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hhw s ALA 20 N -1.31 2.03 -0.33 3.55 0.00 -1.26 -4.93 121.76 119.51 3hhw s ALA 20 Ca 0.64 -0.23 -0.06 0.00 0.00 0.00 0.00 51.96 52.31 3hhw s ALA 20 Cb -0.57 -4.29 0.04 0.00 0.00 0.00 0.00 23.12 18.31 3hhw s ALA 20 CO 0.57 -3.97 0.09 1.21 0.00 0.00 0.00 175.76 173.65 3hhw s ASN 21 N 9.62 5.25 -0.30 0.00 3.84 -1.26 -5.05 114.94 127.03 3hhw s ASN 21 Ca 0.82 -1.16 -0.00 0.00 0.21 0.00 0.00 52.86 52.73 3hhw s ASN 21 Cb -0.16 -1.84 0.14 0.00 -0.55 0.00 0.00 41.25 38.83 3hhw s ASN 21 CO 0.25 -0.32 0.29 -1.83 -2.79 0.00 0.00 177.10 172.70 3hhw s GLU 22 N 1.38 0.35 -0.55 0.43 -1.05 -1.26 -5.09 118.70 112.91 3hhw s GLU 22 Ca -0.02 -0.26 -0.03 0.00 -0.15 0.00 0.00 54.97 54.52 3hhw s GLU 22 Cb -0.20 -0.71 0.14 0.00 -0.44 0.00 0.00 34.13 32.93 3hhw s GLU 22 CO 0.02 -1.05 0.36 -0.51 0.95 0.00 0.00 175.26 175.03 3hhw s ASP 23 N 2.24 5.21 0.05 0.83 1.01 -1.26 -5.08 116.67 119.67 3hhw s ASP 23 Ca 0.10 -2.60 -0.27 0.00 0.71 0.00 0.00 52.55 50.50 3hhw s ASP 23 Cb -0.14 -1.84 -0.05 0.00 1.01 0.00 0.00 42.92 41.90 3hhw s ASP 23 CO -0.30 -0.42 0.84 -2.16 0.21 0.00 0.00 175.17 173.34 3hhw s PRO 24 N 0.31 4.56 0.71 8.23 0.05 -1.26 -5.06 135.00 142.55 3hhw s PRO 24 Ca 0.14 1.21 -0.11 0.00 0.05 0.00 0.00 61.00 62.29 3hhw s PRO 24 Cb -0.21 -3.38 0.02 0.00 0.05 0.00 0.00 34.50 30.97 3hhw s PRO 24 CO -0.04 0.21 1.07 0.14 0.05 0.00 0.00 177.00 178.43 3hhw s VAL 25 N 0.15 3.86 -0.24 -0.36 -7.23 -1.26 -4.93 120.40 110.40 3hhw s VAL 25 Ca 0.42 0.61 0.02 0.00 -1.81 0.00 0.00 61.98 61.23 3hhw s VAL 25 Cb -0.21 -3.29 0.05 0.00 0.56 0.00 0.00 36.38 33.49 3hhw s VAL 25 CO 0.25 -0.78 -0.11 -1.61 -0.31 0.00 0.00 175.10 172.53 3hhw s GLU 26 N -4.99 2.23 0.33 4.82 2.02 0.07 -4.97 118.70 118.21 3hhw s GLU 26 Ca 0.59 -1.15 -0.26 0.00 0.02 0.00 0.00 54.97 54.17 3hhw s GLU 26 Cb -0.15 -2.73 -0.10 0.00 0.10 0.00 0.00 34.13 31.25 3hhw s GLU 26 CO 0.55 -0.50 0.94 0.71 0.02 0.00 0.00 175.26 176.98 3hhw s TYR 27 N 1.21 3.67 0.31 1.61 2.02 -1.26 -4.51 117.35 120.40 3hhw s TYR 27 Ca -0.05 1.77 -0.01 0.00 -0.37 0.00 0.00 57.07 58.40 3hhw s TYR 27 Cb -0.18 -2.92 0.47 0.00 -0.40 0.00 0.00 41.96 38.94 3hhw s TYR 27 CO -0.07 0.20 1.97 -1.35 -1.57 0.00 0.00 175.55 174.73 3hhw h PRO 28 N 3.12 1.05 0.00 -1.71 0.11 -1.94 -2.37 132.00 130.26 3hhw h PRO 28 Ca -0.47 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.52 3hhw h PRO 28 Cb 1.19 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3hhw h PRO 28 CO 0.65 0.69 -0.28 0.00 -0.21 0.00 0.00 178.00 178.85 3hhw h ALA 29 N 1.50 1.14 0.00 -0.75 0.00 -1.91 -2.78 119.26 116.46 3hhw h ALA 29 Ca 0.30 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hhw h ALA 29 Cb -0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3hhw h ALA 29 CO -0.07 0.35 -0.01 -0.44 0.00 0.00 0.00 179.25 179.08 3hhw h ASP 30 N 0.00 0.00 -0.18 0.00 3.45 -1.80 -3.14 116.42 114.75 3hhw h ASP 30 Ca -0.00 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.29 3hhw h ASP 30 Cb 0.68 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 3hhw h ASP 30 CO 0.04 0.01 -0.53 0.22 -1.57 0.00 0.00 179.24 177.40 3hhw h TYR 31 N 0.00 0.89 0.00 4.55 3.20 -1.49 -3.28 116.97 120.83 3hhw h TYR 31 Ca -0.00 -0.35 0.00 0.00 3.14 0.00 0.00 58.73 61.52 3hhw h TYR 31 Cb 0.58 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.70 3hhw h TYR 31 CO 0.00 1.15 0.00 1.19 -1.64 0.00 0.00 178.16 178.86 3hhw n PHE 32 N -4.13 0.00 -0.05 -3.82 3.72 -1.18 -2.70 117.46 109.29 3hhw n PHE 32 Ca -0.06 -0.27 -0.05 0.00 -0.05 0.00 0.00 57.45 57.01 3hhw n PHE 32 Cb 0.61 -0.18 -0.08 0.00 -0.94 0.00 0.00 39.48 38.90 3hhw n PHE 32 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3hhw n ARG 33 N 0.44 2.26 0.00 -1.08 0.63 -1.24 -4.60 116.66 113.07 3hhw n ARG 33 Ca 0.00 -0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.03 3hhw n ARG 33 Cb 0.34 -1.27 -0.15 0.00 0.45 0.00 0.00 32.46 31.83 3hhw n ARG 33 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3hhw n LYS 34 N -2.40 0.65 -3.92 -0.14 5.02 -1.10 -4.97 118.16 111.31 3hhw n LYS 34 Ca -0.17 -0.14 -0.10 0.00 -2.02 0.00 0.00 58.31 55.87 3hhw n LYS 34 Cb 0.84 -1.56 -0.11 0.00 -0.02 0.00 0.00 35.03 34.18 3hhw n LYS 34 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3hhw s SER 35 N -4.69 0.11 -0.19 4.39 0.15 -1.18 -5.05 113.70 107.24 3hhw s SER 35 Ca -0.07 -0.31 0.15 0.00 0.70 0.00 0.00 55.95 56.42 3hhw s SER 35 Cb 0.13 0.16 0.42 0.00 -1.71 0.00 0.00 66.02 65.02 3hhw s SER 35 CO 0.89 -0.32 1.30 0.29 1.20 0.00 0.00 173.24 176.60 3hhw n LYS 36 N 1.62 1.86 -3.50 5.44 4.76 -1.26 -4.12 118.16 122.95 3hhw n LYS 36 Ca -0.23 -2.91 -0.16 0.00 -2.87 0.00 0.00 58.31 52.14 3hhw n LYS 36 Cb 0.56 -1.67 -0.05 0.00 -1.84 0.00 0.00 35.03 32.02 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 -3.01 1.07 -0.31 1.97 -1.05 -1.26 -5.01 118.70 111.09 3hhw s GLU 37 Ca 0.38 0.11 -0.05 0.00 -0.15 0.00 0.00 54.97 55.26 3hhw s GLU 37 Cb 0.34 0.50 0.03 0.00 -0.44 0.00 0.00 34.13 34.56 3hhw s GLU 37 CO 0.02 -0.36 0.06 0.96 0.95 0.00 0.00 175.26 176.88 3hhw s ILE 38 N -1.69 3.53 0.13 1.83 -4.36 -1.26 -5.09 121.20 114.29 3hhw s ILE 38 Ca -0.08 -1.10 -0.30 0.00 -0.26 0.00 0.00 60.65 58.91 3hhw s ILE 38 Cb -0.00 -2.95 -0.07 0.00 1.25 0.00 0.00 42.46 40.69 3hhw s ILE 38 CO 0.05 -0.07 1.23 -2.84 0.24 0.00 0.00 174.94 173.55 3hhw s PRO 39 N 1.38 4.44 -0.06 0.37 0.02 -1.26 -4.44 135.00 135.45 3hhw s PRO 39 Ca -0.02 1.88 0.05 0.00 0.02 0.00 0.00 61.00 62.92 3hhw s PRO 39 Cb -0.19 -3.28 -0.00 0.00 0.02 0.00 0.00 34.50 31.05 3hhw s PRO 39 CO 0.01 -0.20 -0.20 -1.17 -0.33 0.00 0.00 177.00 175.11 3hhw s LEU 40 N 0.40 1.97 -0.18 -5.54 2.96 -1.05 -5.00 118.68 112.23 3hhw s LEU 40 Ca 0.57 -0.44 -0.03 0.00 -0.22 0.00 0.00 54.13 54.01 3hhw s LEU 40 Cb -0.32 -1.17 -0.01 0.00 0.50 0.00 0.00 46.19 45.19 3hhw s LEU 40 CO 0.33 0.17 -0.08 -0.31 -1.32 0.00 0.00 176.35 175.14 3hhw s TYR 41 N 0.12 2.91 -0.04 5.38 2.02 -1.26 0.44 117.35 126.92 3hhw s TYR 41 Ca -0.08 -0.81 0.01 0.00 -0.37 0.00 0.00 57.07 55.81 3hhw s TYR 41 Cb -0.14 -2.00 0.02 0.00 -0.40 0.00 0.00 41.96 39.44 3hhw s TYR 41 CO 0.04 -0.40 -0.04 0.42 -1.57 0.00 0.00 175.55 174.00 3hhw s ILE 42 N 1.01 0.48 -0.02 2.71 1.09 -0.77 -4.75 121.20 120.96 3hhw s ILE 42 Ca -0.00 -0.08 0.00 0.00 -1.10 0.00 0.00 60.65 59.47 3hhw s ILE 42 Cb -0.15 -0.53 0.02 0.00 -1.06 0.00 0.00 42.46 40.75 3hhw s ILE 42 CO -0.00 0.22 0.01 0.21 -0.10 0.00 0.00 174.94 175.27 3hhw s ASN 43 N 1.00 0.24 -0.22 3.58 2.47 -1.26 -3.56 114.94 117.18 3hhw s ASN 43 Ca -0.10 -0.00 0.16 0.00 0.42 0.00 0.00 52.86 53.34 3hhw s ASN 43 Cb -0.14 -0.13 0.47 0.00 -1.45 0.00 0.00 41.25 40.00 3hhw s ASN 43 CO -0.00 -0.09 1.16 1.07 -3.72 0.00 0.00 177.10 175.52 3hhw n THR 44 N 3.96 1.65 -2.19 -5.21 5.66 -1.26 -4.87 114.28 112.03 3hhw n THR 44 Ca -0.25 -3.11 -0.02 0.00 -3.05 0.00 0.00 64.05 57.62 3hhw n THR 44 Cb 0.52 0.17 -0.02 0.00 -1.55 0.00 0.00 70.33 69.45 3hhw n THR 44 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 3hhw n THR 45 N -0.55-10.78 0.00 1.09 -1.04 -1.26 -5.10 114.28 96.64 3hhw n THR 45 Ca 0.21 2.31 0.00 0.00 -2.04 0.00 0.00 64.05 64.54 3hhw n THR 45 Cb 0.90 -5.63 0.00 0.00 -1.82 0.00 0.00 70.33 63.77 3hhw n THR 45 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3hhw n LYS 46 N 1.37 0.00 -3.62 -2.82 3.00 -1.26 -5.13 118.16 109.69 3hhw n LYS 46 Ca -0.16 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 57.99 3hhw n LYS 46 Cb 0.25 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.21 3hhw n LYS 46 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3hhw s SER 47 N -1.00 -0.59 0.46 3.14 1.04 -1.26 -5.05 113.70 110.44 3hhw s SER 47 Ca 0.00 0.88 0.15 0.00 0.48 0.00 0.00 55.95 57.46 3hhw s SER 47 Cb 0.00 0.85 1.09 0.00 0.10 0.00 0.00 66.02 68.06 3hhw s SER 47 CO 0.00 -0.40 2.01 0.25 0.98 0.00 0.00 173.24 176.08 3hhw h LEU 48 N 4.14 0.28 -0.12 2.42 6.46 -1.98 -1.64 115.31 124.87 3hhw h LEU 48 Ca -0.28 0.00 -0.24 0.00 -0.12 0.00 0.00 57.88 57.24 3hhw h LEU 48 Cb 1.16 -0.06 0.01 0.00 -0.73 0.00 0.00 40.66 41.04 3hhw h LEU 48 CO 0.26 0.18 -0.97 0.28 -0.62 0.00 0.00 178.44 177.57 3hhw h SER 49 N 0.32 0.69 -0.04 1.25 0.02 -1.97 -2.83 113.55 111.00 3hhw h SER 49 Ca 0.23 -0.55 -0.00 0.00 -0.84 0.00 0.00 61.79 60.63 3hhw h SER 49 Cb 0.50 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 3hhw h SER 49 CO -0.05 1.34 0.01 0.44 -1.14 0.00 0.00 176.83 177.43 3hhw h ASP 50 N 0.31 0.06 0.60 3.07 5.19 -1.72 -3.10 116.42 120.84 3hhw h ASP 50 Ca -0.10 -0.26 -0.04 0.00 -0.62 0.00 0.00 57.03 56.01 3hhw h ASP 50 Cb 1.60 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 41.09 3hhw h ASP 50 CO 0.18 0.31 -0.19 -0.07 -3.12 0.00 0.00 179.24 176.34 3hhw h LEU 51 N -0.19 0.00 0.00 1.55 3.38 -1.51 -2.44 115.31 116.10 3hhw h LEU 51 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hhw h LEU 51 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3hhw h LEU 51 CO 0.00 0.19 0.00 -1.14 0.09 0.00 0.00 178.44 177.58 3hhw n ARG 52 N -3.56 0.08 -0.03 1.13 0.63 -1.07 -2.86 116.66 110.98 3hhw n ARG 52 Ca -0.01 0.26 -0.04 0.00 -0.92 0.00 0.00 57.85 57.14 3hhw n ARG 52 Cb 0.34 -1.50 -0.05 0.00 0.45 0.00 0.00 32.46 31.70 3hhw n ARG 52 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hhw n GLY 53 N -0.57 -0.24 0.09 5.14 0.00 -0.93 -4.32 105.19 104.36 3hhw n GLY 53 Ca 0.03 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 3hhw n GLY 53 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hhw h TYR 54 N 0.00 0.16 0.00 1.61 0.05 -1.42 0.63 116.97 118.01 3hhw h TYR 54 Ca -0.17 0.01 -0.18 0.00 0.05 0.00 0.00 58.73 58.43 3hhw h TYR 54 Cb 1.35 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 39.02 3hhw h TYR 54 CO 0.00 0.10 -0.85 -0.39 -1.05 0.00 0.00 178.16 175.97 3hhw h VAL 55 N 0.18 1.60 -0.75 -2.88 -1.51 -1.86 0.36 116.25 111.40 3hhw h VAL 55 Ca 0.06 -2.90 0.02 0.00 -1.23 0.00 0.00 66.70 62.65 3hhw h VAL 55 Cb -0.00 2.57 -0.04 0.00 -2.13 0.00 0.00 31.29 31.68 3hhw h VAL 55 CO -0.03 0.83 0.49 0.22 -1.23 0.00 0.00 177.57 177.85 3hhw h TYR 56 N 0.01 0.92 0.00 5.19 3.20 -1.68 -0.52 116.97 124.09 3hhw h TYR 56 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3hhw h TYR 56 Cb 1.51 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.47 3hhw h TYR 56 CO 0.00 0.56 -0.65 1.04 -1.64 0.00 0.00 178.16 177.47 3hhw n GLN 57 N -4.59 0.28 -0.04 1.82 1.13 0.19 -3.52 117.38 112.65 3hhw n GLN 57 Ca 0.08 0.07 -0.12 0.00 -1.94 0.00 0.00 57.00 55.09 3hhw n GLN 57 Cb 0.05 -1.67 -0.10 0.00 0.11 0.00 0.00 30.24 28.63 3hhw n GLN 57 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 3hhw h GLY 58 N 4.54 -0.04 2.00 1.08 0.00 -0.16 -3.28 103.07 107.22 3hhw h GLY 58 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 3hhw h GLY 58 CO 0.00 -0.01 -0.07 1.41 0.00 0.00 0.00 176.54 177.87 3hhw h LEU 59 N -0.88 0.00 0.44 3.11 4.07 -1.31 -3.27 115.31 117.48 3hhw h LEU 59 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 3hhw h LEU 59 Cb 0.74 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.47 3hhw h LEU 59 CO 0.01 0.07 -0.34 0.50 -1.08 0.00 0.00 178.44 177.59 3hhw h LYS 60 N 0.00 -0.73 -3.54 1.13 3.64 -1.63 -3.37 116.57 112.07 3hhw h LYS 60 Ca -0.00 0.05 -0.34 0.00 -1.27 0.00 0.00 60.65 59.09 3hhw h LYS 60 Cb 0.74 0.17 -0.35 0.00 -0.41 0.00 0.00 32.23 32.37 3hhw h LYS 60 CO 0.01 -0.49 -0.74 -1.54 -2.27 0.00 0.00 179.45 174.42 3hhw s SER 61 N -3.59 0.53 0.53 4.20 1.04 -1.24 -4.69 113.70 110.48 3hhw s SER 61 Ca -0.13 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.33 3hhw s SER 61 Cb 0.02 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.99 3hhw s SER 61 CO 0.41 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.08 3hhw n GLY 62 N 4.49 1.59 0.95 7.32 0.00 -1.26 -4.79 105.19 113.50 3hhw n GLY 62 Ca -0.20 -0.78 -0.05 0.00 0.00 0.00 0.00 46.02 44.99 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 4.78 -0.26 -3.78 1.61 6.94 -1.23 -4.91 115.26 118.42 3hhw n ASN 63 Ca 0.00 -1.62 -0.13 0.00 -0.02 0.00 0.00 54.58 52.81 3hhw n ASN 63 Cb 0.00 0.55 -0.10 0.00 -2.36 0.00 0.00 39.78 37.88 3hhw n ASN 63 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3hhw s VAL 64 N -2.43 0.04 0.23 3.53 0.11 -1.26 -4.52 120.40 116.09 3hhw s VAL 64 Ca 0.11 -0.34 -0.30 0.00 -2.93 0.00 0.00 61.98 58.52 3hhw s VAL 64 Cb 0.00 -0.53 -0.09 0.00 -1.53 0.00 0.00 36.38 34.24 3hhw s VAL 64 CO 0.08 -0.19 1.29 -0.55 -3.33 0.00 0.00 175.10 172.41 3hhw s SER 65 N -0.81 6.90 0.30 3.54 0.15 -1.26 -4.95 113.70 117.57 3hhw s SER 65 Ca -0.09 2.44 0.10 0.00 0.70 0.00 0.00 55.95 59.10 3hhw s SER 65 Cb -0.04 -2.62 0.47 0.00 -1.71 0.00 0.00 66.02 62.12 3hhw s SER 65 CO 0.03 -0.50 1.68 -0.29 1.20 0.00 0.00 173.24 175.36 3hhw h ILE 66 N 3.57 1.37 -0.14 6.45 6.09 -2.00 -2.82 117.51 130.04 3hhw h ILE 66 Ca -0.46 -1.78 -0.04 0.00 -1.37 0.00 0.00 64.86 61.21 3hhw h ILE 66 Cb 1.22 1.94 -0.01 0.00 0.47 0.00 0.00 36.82 40.43 3hhw h ILE 66 CO 0.74 0.51 -0.10 0.40 -3.07 0.00 0.00 178.15 176.64 3hhw h ILE 67 N 0.04 1.15 -0.39 2.19 2.04 -1.99 -0.53 117.51 120.01 3hhw h ILE 67 Ca -0.00 -0.67 -0.13 0.00 1.00 0.00 0.00 64.86 65.06 3hhw h ILE 67 Cb 0.93 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 3hhw h ILE 67 CO 0.07 0.21 -0.29 0.45 0.00 0.00 0.00 178.15 178.59 3hhw h HIS 68 N 0.20 0.98 -0.54 1.37 3.86 -1.89 -1.95 115.15 117.18 3hhw h HIS 68 Ca 0.04 -0.25 -0.11 0.00 -1.16 0.00 0.00 60.37 58.89 3hhw h HIS 68 Cb 0.31 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 3hhw h HIS 68 CO 0.00 1.03 -0.10 0.28 0.86 0.00 0.00 177.93 180.00 3hhw h VAL 69 N 0.71 1.27 -0.09 2.45 2.07 -1.13 -2.54 116.25 118.99 3hhw h VAL 69 Ca 0.08 -1.25 -0.11 0.00 0.82 0.00 0.00 66.70 66.24 3hhw h VAL 69 Cb 0.84 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3hhw h VAL 69 CO 0.07 0.44 -0.39 0.78 0.02 0.00 0.00 177.57 178.49 3hhw h ASN 70 N 0.91 0.49 -0.62 0.57 2.35 -1.13 -1.47 115.58 116.67 3hhw h ASN 70 Ca 0.14 -0.64 0.07 0.00 -0.55 0.00 0.00 56.30 55.32 3hhw h ASN 70 Cb 0.66 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.83 3hhw h ASN 70 CO 0.05 1.05 0.31 0.28 -1.65 0.00 0.00 177.43 177.47 3hhw h SER 71 N -0.03 0.42 -0.13 5.81 0.02 -1.40 -0.81 113.55 117.43 3hhw h SER 71 Ca -0.02 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3hhw h SER 71 Cb 1.04 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 3hhw h SER 71 CO 0.08 0.27 0.03 0.22 -1.14 0.00 0.00 176.83 176.29 3hhw h TYR 72 N 0.56 0.22 -0.61 3.45 3.20 -1.47 -2.64 116.97 119.69 3hhw h TYR 72 Ca 0.29 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 3hhw h TYR 72 Cb 0.24 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3hhw h TYR 72 CO -0.11 0.37 0.28 1.25 -1.64 0.00 0.00 178.16 178.31 3hhw h LEU 73 N 0.01 0.78 -0.78 2.82 5.85 -0.96 0.27 115.31 123.31 3hhw h LEU 73 Ca 0.04 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 3hhw h LEU 73 Cb 0.26 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3hhw h LEU 73 CO 0.00 0.67 -0.13 0.22 -0.34 0.00 0.00 178.44 178.86 3hhw h TYR 74 N 0.86 0.87 0.08 1.25 3.20 -1.14 -2.47 116.97 119.61 3hhw h TYR 74 Ca 0.21 -0.17 -0.25 0.00 3.14 0.00 0.00 58.73 61.66 3hhw h TYR 74 Cb 0.11 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.16 3hhw h TYR 74 CO 0.01 0.87 -1.11 0.78 -1.64 0.00 0.00 178.16 177.06 3hhw h GLY 75 N 0.97 0.37 1.60 1.82 0.00 -0.89 -2.77 103.07 104.17 3hhw h GLY 75 Ca 0.12 -0.80 -0.23 0.00 0.00 0.00 0.00 47.33 46.41 3hhw h GLY 75 CO 0.04 0.70 -1.00 0.00 0.00 0.00 0.00 176.54 176.28 3hhw h ALA 76 N 0.65 0.32 -0.01 3.60 0.00 -0.52 -3.28 119.26 120.03 3hhw h ALA 76 Ca -0.11 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.05 3hhw h ALA 76 Cb 1.80 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3hhw h ALA 76 CO 0.19 0.86 -0.46 1.28 0.00 0.00 0.00 179.25 181.12 3hhw n LEU 77 N -3.68 1.32 -0.20 0.00 4.77 -0.93 -4.51 117.00 113.76 3hhw n LEU 77 Ca -0.07 -0.44 0.11 0.00 -0.03 0.00 0.00 56.01 55.59 3hhw n LEU 77 Cb 0.87 -0.08 0.42 0.00 -2.33 0.00 0.00 43.42 42.30 3hhw n LEU 77 CO 0.51 0.26 1.21 0.50 -1.33 0.00 0.00 177.39 178.54 3hhw h LYS 78 N 1.34 0.59 0.00 3.23 3.64 -1.55 -2.72 116.57 121.10 3hhw h LYS 78 Ca 0.00 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.22 3hhw h LYS 78 Cb 0.59 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 3hhw h LYS 78 CO 0.00 0.39 -0.60 -0.44 -2.27 0.00 0.00 179.45 176.53 3hhw h ASP 79 N 0.60 0.00 -2.60 4.20 5.19 -1.81 -3.45 116.42 118.55 3hhw h ASP 79 Ca 0.37 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 56.25 3hhw h ASP 79 Cb 0.61 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.15 3hhw h ASP 79 CO -0.14 0.60 1.06 -0.63 -3.12 0.00 0.00 179.24 177.01 3hhw s ILE 80 N -2.98 2.68 0.06 0.35 1.01 -1.03 -4.99 121.20 116.30 3hhw s ILE 80 Ca 0.03 0.21 -0.19 0.00 0.00 0.00 0.00 60.65 60.69 3hhw s ILE 80 Cb 0.09 -3.13 0.04 0.00 0.01 0.00 0.00 42.46 39.46 3hhw s ILE 80 CO 0.76 0.00 0.46 0.00 0.00 0.00 0.00 174.94 176.15 3hhw s ARG 81 N 2.58 1.00 0.12 2.79 1.70 -1.26 -3.56 118.95 122.32 3hhw s ARG 81 Ca 0.78 -0.38 -0.01 0.00 -0.47 0.00 0.00 55.73 55.64 3hhw s ARG 81 Cb -0.44 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.35 3hhw s ARG 81 CO 0.35 -0.36 0.05 0.20 -1.08 0.00 0.00 175.30 174.46 3hhw s GLY 82 N -2.16 0.92 -0.10 3.88 0.00 -1.15 -5.02 107.32 103.69 3hhw s GLY 82 Ca -0.04 -1.43 -0.02 0.00 0.00 0.00 0.00 44.72 43.24 3hhw s GLY 82 CO -0.04 -1.34 -0.01 -1.59 0.00 0.00 0.00 173.10 170.11 3hhw s LYS 83 N -4.03 3.13 -0.06 2.90 -2.85 -1.26 -2.85 119.74 114.71 3hhw s LYS 83 Ca 0.22 -0.44 0.00 0.00 -1.00 0.00 0.00 55.97 54.75 3hhw s LYS 83 Cb 0.07 -2.81 -0.03 0.00 -2.06 0.00 0.00 37.83 33.00 3hhw s LYS 83 CO 0.00 0.60 -0.03 -0.48 0.10 0.00 0.00 175.35 175.54 3hhw s LEU 84 N -0.59 3.38 -0.02 2.77 0.05 -1.20 -5.04 118.68 118.04 3hhw s LEU 84 Ca 0.10 0.03 -0.21 0.00 0.05 0.00 0.00 54.13 54.10 3hhw s LEU 84 Cb -0.12 -1.80 -0.30 0.00 -2.05 0.00 0.00 46.19 41.92 3hhw s LEU 84 CO 0.02 0.35 0.97 0.44 -0.55 0.00 0.00 176.35 177.58 3hhw h ASP 85 N 5.01 0.54 -2.21 1.48 5.19 -1.94 -2.92 116.42 121.57 3hhw h ASP 85 Ca -0.50 -0.90 -0.50 0.00 -0.62 0.00 0.00 57.03 54.52 3hhw h ASP 85 Cb 1.18 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 40.48 3hhw h ASP 85 CO 0.54 1.39 -0.50 -1.59 -3.12 0.00 0.00 179.24 175.95 3hhw s LYS 86 N -2.67 3.06 0.47 3.56 -2.85 -1.26 -4.45 119.74 115.60 3hhw s LYS 86 Ca -0.13 -0.97 -0.23 0.00 -1.00 0.00 0.00 55.97 53.64 3hhw s LYS 86 Cb 0.02 -2.65 -0.07 0.00 -2.06 0.00 0.00 37.83 33.07 3hhw s LYS 86 CO 0.84 0.41 1.24 -0.51 0.10 0.00 0.00 175.35 177.43 3hhw s ASP 87 N -3.85 5.95 -0.32 0.03 1.11 -1.26 -4.37 116.67 113.96 3hhw s ASP 87 Ca 0.33 2.48 0.03 0.00 0.18 0.00 0.00 52.55 55.57 3hhw s ASP 87 Cb -0.08 -2.62 0.09 0.00 1.07 0.00 0.00 42.92 41.39 3hhw s ASP 87 CO 0.26 -1.08 0.04 0.86 1.18 0.00 0.00 175.17 176.43 3hhw s TRP 88 N -1.43 3.17 0.04 4.23 -0.00 0.74 -4.95 118.94 120.73 3hhw s TRP 88 Ca 0.65 -2.58 0.07 0.00 -0.00 0.00 0.00 56.10 54.23 3hhw s TRP 88 Cb -0.33 -2.49 -0.02 0.00 -0.00 0.00 0.00 33.47 30.62 3hhw s TRP 88 CO 0.40 -0.92 -0.19 0.45 -0.00 0.00 0.00 176.95 176.70 3hhw s SER 89 N 1.11 2.23 -0.16 5.86 0.15 -1.26 -1.11 113.70 120.52 3hhw s SER 89 Ca 0.08 -0.49 -0.07 0.00 0.70 0.00 0.00 55.95 56.17 3hhw s SER 89 Cb -0.19 -0.18 0.07 0.00 -1.71 0.00 0.00 66.02 64.01 3hhw s SER 89 CO -0.12 0.13 0.36 -0.55 1.20 0.00 0.00 173.24 174.26 3hhw s SER 90 N -1.13 -0.21 -1.48 5.45 0.15 -0.79 -4.92 113.70 110.77 3hhw s SER 90 Ca 0.06 0.82 -0.12 0.00 0.70 0.00 0.00 55.95 57.41 3hhw s SER 90 Cb -0.08 0.91 0.06 0.00 -1.71 0.00 0.00 66.02 65.20 3hhw s SER 90 CO 0.02 -0.21 0.93 0.49 1.20 0.00 0.00 173.24 175.66 3hhw n PHE 91 N 4.89 -2.32 -1.57 3.44 3.72 -1.26 -2.07 117.46 122.29 3hhw n PHE 91 Ca -0.15 0.84 -0.07 0.00 -0.05 0.00 0.00 57.45 58.02 3hhw n PHE 91 Cb 0.52 -4.09 -0.02 0.00 -0.94 0.00 0.00 39.48 34.95 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 -1.67 0.57 3.13 1.37 0.00 -1.26 -4.97 105.19 102.35 3hhw n GLY 92 Ca 0.02 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.28 1.93 -0.40 -0.61 1.09 -0.88 -5.10 121.20 114.95 3hhw s ILE 93 Ca 0.00 -0.89 -0.25 0.00 -1.10 0.00 0.00 60.65 58.41 3hhw s ILE 93 Cb 0.00 -1.72 0.02 0.00 -1.06 0.00 0.00 42.46 39.69 3hhw s ILE 93 CO 0.00 0.52 0.89 0.20 -0.10 0.00 0.00 174.94 176.45 3hhw s ASN 94 N 0.97 6.58 -0.02 3.58 0.01 -1.26 -1.88 114.94 122.92 3hhw s ASN 94 Ca -0.04 0.34 -0.08 0.00 -0.71 0.00 0.00 52.86 52.37 3hhw s ASN 94 Cb -0.15 -2.44 -0.30 0.00 0.41 0.00 0.00 41.25 38.77 3hhw s ASN 94 CO -0.04 -0.89 0.79 0.40 -1.51 0.00 0.00 177.10 175.85 3hhw h ILE 95 N 5.90 1.08 -1.27 0.60 2.04 -1.48 -3.49 117.51 120.89 3hhw h ILE 95 Ca -0.24 -2.66 0.16 0.00 1.00 0.00 0.00 64.86 63.12 3hhw h ILE 95 Cb 1.08 2.80 -0.28 0.00 -0.74 0.00 0.00 36.82 39.68 3hhw h ILE 95 CO 0.98 0.84 0.75 -0.83 0.00 0.00 0.00 178.15 179.88 3hhw s GLY 96 N -4.98 0.07 0.62 5.37 0.00 -1.14 -5.01 107.32 102.24 3hhw s GLY 96 Ca -0.12 2.90 -0.05 0.00 0.00 0.00 0.00 44.72 47.45 3hhw s GLY 96 CO 0.87 1.54 0.91 0.54 0.00 0.00 0.00 173.10 176.95 3hhw s LYS 97 N -0.41 2.58 0.05 2.90 1.02 -1.26 -0.18 119.74 124.43 3hhw s LYS 97 Ca 0.05 -0.26 -0.30 0.00 0.02 0.00 0.00 55.97 55.48 3hhw s LYS 97 Cb -0.03 -2.28 -0.09 0.00 -0.52 0.00 0.00 37.83 34.91 3hhw s LYS 97 CO -0.09 -0.89 1.92 0.00 -0.92 0.00 0.00 175.35 175.37 3hhw s ALA 98 N -3.03 3.62 0.00 5.17 0.00 -1.26 -2.15 121.76 124.11 3hhw s ALA 98 Ca 0.57 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.85 3hhw s ALA 98 Cb -0.11 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.19 3hhw s ALA 98 CO 0.43 -1.49 0.00 0.41 0.00 0.00 0.00 175.76 175.11 3hhw n GLY 99 N 4.45 2.81 3.77 0.00 0.00 -1.10 -5.00 105.19 110.12 3hhw n GLY 99 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3hhw n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hhw s ASP 100 N -1.23 6.26 -0.21 1.61 1.01 -0.91 -4.81 116.67 118.38 3hhw s ASP 100 Ca 0.00 2.24 -0.08 0.00 0.71 0.00 0.00 52.55 55.42 3hhw s ASP 100 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 3hhw s ASP 100 CO 0.00 -0.85 0.07 -0.89 0.21 0.00 0.00 175.17 173.71 3hhw s THR 101 N -1.59 4.68 0.14 -1.27 2.01 -1.26 -3.21 115.64 115.14 3hhw s THR 101 Ca 0.63 -0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.66 3hhw s THR 101 Cb -0.27 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 3hhw s THR 101 CO 0.33 0.40 -0.22 0.27 -0.69 0.00 0.00 174.62 174.71 3hhw s ILE 102 N 0.87 1.97 0.61 1.82 -4.36 -1.13 -5.01 121.20 115.97 3hhw s ILE 102 Ca 0.04 -1.79 0.04 0.00 -0.26 0.00 0.00 60.65 58.67 3hhw s ILE 102 Cb -0.14 -1.84 0.08 0.00 1.25 0.00 0.00 42.46 41.82 3hhw s ILE 102 CO 0.03 -0.12 0.84 -0.83 0.24 0.00 0.00 174.94 175.09 3hhw s GLY 103 N -2.32 1.79 0.22 6.27 0.00 -1.26 -2.91 107.32 109.10 3hhw s GLY 103 Ca 0.13 -1.77 -0.08 0.00 0.00 0.00 0.00 44.72 43.00 3hhw s GLY 103 CO 0.06 -1.34 1.82 -2.22 0.00 0.00 0.00 173.10 171.42 3hhw h ILE 104 N -0.05 1.25 -0.42 0.90 2.04 -1.85 -3.14 117.51 116.24 3hhw h ILE 104 Ca -0.36 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 64.75 3hhw h ILE 104 Cb 1.28 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 3hhw h ILE 104 CO 0.43 0.30 0.07 0.49 0.00 0.00 0.00 178.15 179.44 3hhw n PHE 105 N -4.34 1.48 -1.00 1.37 3.72 -1.26 -4.64 117.46 112.79 3hhw n PHE 105 Ca 0.08 -0.62 -0.26 0.00 -0.05 0.00 0.00 57.45 56.60 3hhw n PHE 105 Cb 0.13 -0.43 -0.05 0.00 -0.94 0.00 0.00 39.48 38.19 3hhw n PHE 105 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3hhw n ASP 106 N 0.26 6.41 -2.69 4.37 10.43 -1.19 -4.11 116.55 130.03 3hhw n ASP 106 Ca 0.22 -2.42 -0.07 0.00 2.57 0.00 0.00 54.79 55.09 3hhw n ASP 106 Cb 0.94 -1.31 0.07 0.00 1.84 0.00 0.00 41.12 42.66 3hhw n ASP 106 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3hhw n LEU 107 N 3.53 0.07 -2.25 0.64 4.32 -1.26 -4.94 117.00 117.11 3hhw n LEU 107 Ca 0.57 -3.52 -0.01 0.00 -0.02 0.00 0.00 56.01 53.03 3hhw n LEU 107 Cb 0.33 0.27 -0.00 0.00 -1.62 0.00 0.00 43.42 42.39 3hhw n LEU 107 CO 0.63 1.64 -0.33 0.52 -1.22 0.00 0.00 177.39 178.63 3hhw n VAL 108 N -0.41 -8.50 -3.53 4.08 0.31 -1.26 -4.48 118.33 104.54 3hhw n VAL 108 Ca 0.03 1.26 -0.37 0.00 -0.01 0.00 0.00 64.34 65.25 3hhw n VAL 108 Cb 0.83 -5.80 -0.06 0.00 -0.91 0.00 0.00 33.84 27.90 3hhw n VAL 108 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3hhw s SER 109 N -0.94 6.59 0.41 4.52 0.15 -1.26 -2.53 113.70 120.64 3hhw s SER 109 Ca -0.03 0.70 0.04 0.00 0.70 0.00 0.00 55.95 57.36 3hhw s SER 109 Cb 0.00 -2.21 -0.02 0.00 -1.71 0.00 0.00 66.02 62.08 3hhw s SER 109 CO 0.50 0.20 0.12 -0.76 1.20 0.00 0.00 173.24 174.50 3hhw s LEU 110 N -0.22 2.02 -0.11 3.45 1.43 0.17 -4.91 118.68 120.51 3hhw s LEU 110 Ca 0.20 -1.66 0.02 0.00 -1.03 0.00 0.00 54.13 51.66 3hhw s LEU 110 Cb -0.14 -0.15 -0.01 0.00 0.03 0.00 0.00 46.19 45.92 3hhw s LEU 110 CO 0.08 -0.92 -0.19 -0.54 0.23 0.00 0.00 176.35 175.01 3hhw s LYS 111 N -3.72 3.19 0.52 1.70 -0.14 -1.26 -1.84 119.74 118.18 3hhw s LYS 111 Ca 0.23 -0.80 -0.21 0.00 -1.36 0.00 0.00 55.97 53.84 3hhw s LYS 111 Cb 0.03 -2.44 -0.06 0.00 -1.68 0.00 0.00 37.83 33.68 3hhw s LYS 111 CO 0.14 0.20 1.15 0.00 -0.76 0.00 0.00 175.35 176.07 3hhw s ALA 112 N 0.34 2.78 0.00 5.17 0.00 -1.23 -4.84 121.76 123.98 3hhw s ALA 112 Ca -0.16 0.87 -0.19 0.00 0.00 0.00 0.00 51.96 52.49 3hhw s ALA 112 Cb -0.17 -3.37 -0.27 0.00 0.00 0.00 0.00 23.12 19.31 3hhw s ALA 112 CO 0.08 -0.76 1.05 -0.07 0.00 0.00 0.00 175.76 176.06 3hhw h LEU 113 N 1.45 0.60-10.20 0.00 4.07 -2.00 -3.45 115.31 105.78 3hhw h LEU 113 Ca -0.50 -0.82 -0.53 0.00 0.08 0.00 0.00 57.88 56.11 3hhw h LEU 113 Cb 1.26 -0.19 0.15 0.00 1.08 0.00 0.00 40.66 42.96 3hhw h LEU 113 CO 0.58 1.35 0.37 -1.81 -1.08 0.00 0.00 178.44 177.85 3hhw s ASP 114 N -6.95 4.31 0.23 -0.43 1.11 -1.26 -5.06 116.67 108.62 3hhw s ASP 114 Ca -0.12 2.23 0.05 0.00 0.18 0.00 0.00 52.55 54.88 3hhw s ASP 114 Cb 0.03 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.42 3hhw s ASP 114 CO 0.85 -2.18 0.32 -0.83 1.18 0.00 0.00 175.17 174.51 3hhw s GLY 115 N -2.29 1.29 -0.20 0.21 0.00 -1.26 -5.00 107.32 100.06 3hhw s GLY 115 Ca 0.71 -1.25 -0.04 0.00 0.00 0.00 0.00 44.72 44.14 3hhw s GLY 115 CO 0.46 -1.27 -0.03 0.14 0.00 0.00 0.00 173.10 172.40 3hhw s VAL 116 N -1.99 3.60 -0.21 1.40 1.01 -1.26 -4.99 120.40 117.96 3hhw s VAL 116 Ca 0.34 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 3hhw s VAL 116 Cb -0.09 -2.62 -0.10 0.00 0.00 0.00 0.00 36.38 33.57 3hhw s VAL 116 CO 0.28 0.43 -0.26 -0.11 0.00 0.00 0.00 175.10 175.45 3hhw n LEU 117 N 4.43 1.69 -4.56 3.92 7.94 -1.26 -4.86 117.00 124.30 3hhw n LEU 117 Ca -0.18 0.21 -0.29 0.00 -1.11 0.00 0.00 56.01 54.64 3hhw n LEU 117 Cb 0.51 -0.63 -0.05 0.00 0.53 0.00 0.00 43.42 43.79 3hhw n LEU 117 CO 0.30 0.49 1.37 -2.84 -1.11 0.00 0.00 177.39 175.60 3hhw s PRO 118 N -2.39 2.73 -0.43 1.96 0.02 -1.26 -4.75 135.00 130.89 3hhw s PRO 118 Ca -0.29 -0.41 0.06 0.00 0.02 0.00 0.00 61.00 60.38 3hhw s PRO 118 Cb 0.11 -5.10 0.42 0.00 0.02 0.00 0.00 34.50 29.95 3hhw s PRO 118 CO 0.38 -3.17 1.10 -0.25 -0.33 0.00 0.00 177.00 174.73 3hhw n ASP 119 N 13.11 4.45 -4.80 2.53 10.43 -1.26 -4.87 116.55 136.13 3hhw n ASP 119 Ca 0.39 -3.64 -0.34 0.00 2.57 0.00 0.00 54.79 53.76 3hhw n ASP 119 Cb 0.48 -0.46 -0.06 0.00 1.84 0.00 0.00 41.12 42.91 3hhw n ASP 119 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3hhw s GLY 120 N -3.51 2.53 -0.14 0.44 0.00 -1.26 -4.73 107.32 100.65 3hhw s GLY 120 Ca 0.46 0.49 -0.10 0.00 0.00 0.00 0.00 44.72 45.58 3hhw s GLY 120 CO -0.17 0.82 0.19 -0.62 0.00 0.00 0.00 173.10 173.33 3hhw n VAL 121 N -0.38-11.35 -3.87 1.40 0.31 -1.26 -4.90 118.33 98.28 3hhw n VAL 121 Ca 0.06 2.47 -0.12 0.00 -0.01 0.00 0.00 64.34 66.74 3hhw n VAL 121 Cb 0.52 -5.93 -0.13 0.00 -0.91 0.00 0.00 33.84 27.40 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 -0.56 -0.01 -0.13 4.52 0.15 -1.26 -4.57 113.70 111.83 3hhw s SER 122 Ca -0.22 0.00 -0.05 0.00 0.70 0.00 0.00 55.95 56.38 3hhw s SER 122 Cb 0.01 0.12 0.06 0.00 -1.71 0.00 0.00 66.02 64.51 3hhw s SER 122 CO 0.60 -0.09 0.28 -0.62 1.20 0.00 0.00 173.24 174.61 3hhw s ASP 123 N -0.29 0.14 -0.48 5.45 2.15 -1.26 -5.03 116.67 117.35 3hhw s ASP 123 Ca -0.03 0.63 -0.00 0.00 0.43 0.00 0.00 52.55 53.57 3hhw s ASP 123 Cb -0.02 0.71 0.40 0.00 -0.30 0.00 0.00 42.92 43.70 3hhw s ASP 123 CO 0.00 -0.22 1.95 0.00 -0.17 0.00 0.00 175.17 176.72 3hhw n ALA 124 N 5.09 5.60 0.05 3.66 0.00 -1.26 -4.13 120.51 129.52 3hhw n ALA 124 Ca -0.11 -2.61 -0.03 0.00 0.00 0.00 0.00 53.44 50.70 3hhw n ALA 124 Cb 0.51 -1.54 -0.08 0.00 0.00 0.00 0.00 19.45 18.33 3hhw n ALA 124 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hhw h SER 125 N 1.51 0.00 -3.36 0.00 4.64 -1.96 -3.46 113.55 110.92 3hhw h SER 125 Ca 0.49 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.25 3hhw h SER 125 Cb 1.30 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.34 3hhw h SER 125 CO 1.15 0.76 0.07 -0.13 -0.87 0.00 0.00 176.83 177.81 3hhw s ARG 126 N -2.81 4.42 0.12 4.77 1.81 -1.26 -4.91 118.95 121.09 3hhw s ARG 126 Ca -0.01 0.86 0.00 0.00 -1.72 0.00 0.00 55.73 54.86 3hhw s ARG 126 Cb 0.09 -3.42 0.00 0.00 -0.45 0.00 0.00 34.95 31.17 3hhw s ARG 126 CO 0.80 0.15 0.00 2.41 -0.68 0.00 0.00 175.30 177.99 3hhw n THR 127 N 3.45 0.17 0.09 0.02 -1.04 -1.26 -4.88 114.28 110.82 3hhw n THR 127 Ca -0.03 0.06 -0.01 0.00 -2.04 0.00 0.00 64.05 62.03 3hhw n THR 127 Cb 0.51 -0.79 0.25 0.00 -1.82 0.00 0.00 70.33 68.49 3hhw n THR 127 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3hhw h SER 128 N 0.00 0.26 0.00 8.00 0.02 -2.03 -3.31 113.55 116.50 3hhw h SER 128 Ca 0.00 -0.10 -0.66 0.00 -0.84 0.00 0.00 61.79 60.19 3hhw h SER 128 Cb 0.14 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 3hhw h SER 128 CO 0.00 0.60 2.96 0.00 -1.14 0.00 0.00 176.83 179.25 3hhw n ALA 129 N -2.48 5.13 -2.00 3.77 0.00 -1.26 -4.67 120.51 119.01 3hhw n ALA 129 Ca -0.01 -3.53 0.00 0.00 0.00 0.00 0.00 53.44 49.90 3hhw n ALA 129 Cb 0.43 -3.50 0.00 0.00 0.00 0.00 0.00 19.45 16.38 3hhw n ALA 129 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hhw n ASP 130 N 6.00 0.00 0.10 0.00 4.64 -1.25 -4.74 116.55 121.30 3hhw n ASP 130 Ca 0.54 0.00 0.11 0.00 -1.38 0.00 0.00 54.79 54.06 3hhw n ASP 130 Cb 0.35 0.00 0.44 0.00 -1.04 0.00 0.00 41.12 40.88 3hhw n ASP 130 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 3hhw n ASP 131 N 0.00 0.49 -0.04 1.67 2.03 -1.26 -3.13 116.55 116.31 3hhw n ASP 131 Ca 0.00 0.62 -0.11 0.00 0.52 0.00 0.00 54.79 55.82 3hhw n ASP 131 Cb 0.00 -0.73 -0.05 0.00 -0.72 0.00 0.00 41.12 39.62 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 0.25 0.00 -0.67 6.56 -1.91 -3.44 116.57 117.36 3hhw h LYS 132 Ca 0.00 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 3hhw h LYS 132 Cb 0.32 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 3hhw h LYS 132 CO 0.00 0.36 0.00 -2.67 -2.06 0.00 0.00 179.45 175.08 3hhw n TRP 133 N -4.84 0.00 -0.13 -1.35 4.27 -1.24 -4.89 117.44 109.26 3hhw n TRP 133 Ca -0.05 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.47 3hhw n TRP 133 Cb 0.14 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 30.08 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 0.51 -0.50 5.67 5.85 -1.82 -2.48 115.31 122.54 3hhw h LEU 134 Ca 0.00 -0.16 -0.16 0.00 0.84 0.00 0.00 57.88 58.40 3hhw h LEU 134 Cb 0.00 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3hhw h LEU 134 CO 0.00 0.53 -0.57 -0.65 -0.34 0.00 0.00 178.44 177.41 3hhw h PRO 135 N 0.46 0.54 -0.94 5.25 0.11 -1.85 -2.97 132.00 132.60 3hhw h PRO 135 Ca 0.13 -0.35 0.06 0.00 0.11 0.00 0.00 66.00 65.94 3hhw h PRO 135 Cb 0.17 0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.27 3hhw h PRO 135 CO -0.01 0.96 0.61 1.25 -0.21 0.00 0.00 178.00 180.60 3hhw h LEU 136 N 0.41 0.97 -1.04 2.35 6.46 -1.86 0.11 115.31 122.71 3hhw h LEU 136 Ca 0.00 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.67 3hhw h LEU 136 Cb 1.12 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.83 3hhw h LEU 136 CO 0.11 0.63 -0.44 0.22 -0.62 0.00 0.00 178.44 178.33 3hhw h TYR 137 N 1.10 0.00 0.01 1.25 3.20 -1.38 -0.81 116.97 120.34 3hhw h TYR 137 Ca 0.40 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 62.07 3hhw h TYR 137 Cb 0.16 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 3hhw h TYR 137 CO -0.00 0.44 -0.94 -0.07 -1.64 0.00 0.00 178.16 175.95 3hhw h LEU 138 N 0.00 0.03 -0.53 2.82 3.38 -1.09 -3.21 115.31 116.71 3hhw h LEU 138 Ca -0.00 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 3hhw h LEU 138 Cb 0.86 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3hhw h LEU 138 CO 0.06 0.95 -0.41 -0.07 0.09 0.00 0.00 178.44 179.06 3hhw h LEU 139 N 0.01 0.79 0.00 1.67 4.07 -0.48 -3.21 115.31 118.16 3hhw h LEU 139 Ca -0.02 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.58 3hhw h LEU 139 Cb 1.65 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 43.17 3hhw h LEU 139 CO 0.13 1.10 0.00 0.61 -1.08 0.00 0.00 178.44 179.20 3hhw n GLY 140 N 0.08 -1.23 0.18 0.83 0.00 -0.34 -3.17 105.19 101.53 3hhw n GLY 140 Ca -0.02 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.04 3hhw n GLY 140 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hhw n LEU 141 N -1.42 0.57 0.11 0.99 4.32 -1.21 -2.25 117.00 118.11 3hhw n LEU 141 Ca 0.08 -0.20 -0.19 0.00 -0.02 0.00 0.00 56.01 55.67 3hhw n LEU 141 Cb 0.25 -0.01 -0.15 0.00 -1.62 0.00 0.00 43.42 41.89 3hhw n LEU 141 CO 0.21 0.10 -0.21 0.22 -1.22 0.00 0.00 177.39 176.49 3hhw h TYR 142 N 0.85 0.65 -0.08 -1.77 3.20 -1.75 -2.76 116.97 115.31 3hhw h TYR 142 Ca 0.00 -0.47 -0.02 0.00 3.14 0.00 0.00 58.73 61.38 3hhw h TYR 142 Cb 0.18 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 3hhw h TYR 142 CO 0.01 1.42 -0.03 -0.09 -1.64 0.00 0.00 178.16 177.83 3hhw h ARG 143 N 0.10 0.17 0.00 1.82 2.43 -1.63 -3.20 114.38 114.06 3hhw h ARG 143 Ca -0.21 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 58.77 3hhw h ARG 143 Cb 2.05 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.58 3hhw h ARG 143 CO 0.21 0.51 -0.56 0.28 -1.51 0.00 0.00 179.97 178.90 3hhw h VAL 144 N -0.18 1.28 -0.08 0.20 2.07 -1.62 -3.26 116.25 114.66 3hhw h VAL 144 Ca 0.02 -2.01 -0.04 0.00 0.82 0.00 0.00 66.70 65.48 3hhw h VAL 144 Cb 0.45 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 3hhw h VAL 144 CO 0.01 0.55 0.05 0.61 0.02 0.00 0.00 177.57 178.82 3hhw n GLY 145 N 0.32 2.32 0.01 2.17 0.00 -1.04 -3.16 105.19 105.81 3hhw n GLY 145 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3hhw n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hhw n ARG 146 N 0.59 0.77 -4.11 1.61 1.74 -1.23 -4.66 116.66 111.38 3hhw n ARG 146 Ca 0.05 -0.77 -0.18 0.00 -0.77 0.00 0.00 57.85 56.18 3hhw n ARG 146 Cb 0.57 -0.63 -0.16 0.00 -1.02 0.00 0.00 32.46 31.22 3hhw n ARG 146 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3hhw s THR 147 N -0.27 0.41 -0.01 0.55 2.01 -1.19 -5.02 115.64 112.12 3hhw s THR 147 Ca 0.00 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 61.92 3hhw s THR 147 Cb 0.00 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 72.06 3hhw s THR 147 CO 0.00 0.17 0.03 1.67 -0.69 0.00 0.00 174.62 175.80 3hhw n GLN 148 N 3.73 1.86 -2.70 4.92 -0.06 -1.26 -4.85 117.38 119.02 3hhw n GLN 148 Ca -0.22 -0.01 -0.41 0.00 -2.00 0.00 0.00 57.00 54.36 3hhw n GLN 148 Cb 0.53 -1.05 -0.05 0.00 -4.06 0.00 0.00 30.24 25.60 3hhw n GLN 148 CO 0.00 0.00 0.00 1.41 -0.20 0.00 0.00 177.06 178.27 3hhw s MET 149 N -2.10 4.75 -0.97 3.69 1.75 -1.26 -4.89 119.30 120.27 3hhw s MET 149 Ca -0.01 1.52 -0.15 0.00 -1.25 0.00 0.00 55.69 55.80 3hhw s MET 149 Cb 0.01 -3.32 -0.29 0.00 2.84 0.00 0.00 34.83 34.07 3hhw s MET 149 CO 0.09 0.32 2.28 -2.30 -0.65 0.00 0.00 175.02 174.76 3hhw n PRO 150 N 2.14 0.08 0.00 4.11 -0.02 -1.26 -4.06 135.00 135.99 3hhw n PRO 150 Ca 0.00 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 3hhw n PRO 150 Cb 0.48 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 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 6.44 0.04 0.07 -0.52 2.13 -1.26 -4.91 120.64 122.63 3hhw n GLU 151 Ca 0.65 0.00 0.08 0.00 0.66 0.00 0.00 57.16 58.55 3hhw n GLU 151 Cb 0.16 -0.01 0.36 0.00 0.27 0.00 0.00 31.44 32.22 3hhw n GLU 151 CO 0.00 0.00 0.00 2.48 -0.41 0.00 0.00 177.13 179.20 3hhw n TYR 152 N -0.33 0.40 0.08 4.31 0.18 -1.26 -1.46 117.16 119.08 3hhw n TYR 152 Ca 0.00 0.18 -0.03 0.00 1.88 0.00 0.00 57.90 59.93 3hhw n TYR 152 Cb 0.00 -0.78 0.20 0.00 -0.38 0.00 0.00 39.34 38.38 3hhw n TYR 152 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 3hhw h ARG 153 N 0.00 0.28 0.00 -3.48 1.12 -1.92 0.32 114.38 110.70 3hhw h ARG 153 Ca 0.00 -0.14 -0.12 0.00 -1.11 0.00 0.00 59.98 58.61 3hhw h ARG 153 Cb 0.20 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.14 3hhw h ARG 153 CO 0.00 0.66 -0.79 0.87 -3.11 0.00 0.00 179.97 177.60 3hhw h LYS 154 N 0.23 0.00 0.07 0.20 6.56 -1.65 -3.23 116.57 118.76 3hhw h LYS 154 Ca 0.02 0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 59.35 3hhw h LYS 154 Cb 0.86 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.53 3hhw h LYS 154 CO 0.07 0.41 -1.10 0.87 -2.06 0.00 0.00 179.45 177.64 3hhw h LYS 155 N 0.00 0.42 0.00 3.15 1.79 -1.23 -3.04 116.57 117.67 3hhw h LYS 155 Ca -0.05 -0.55 -0.03 0.00 -2.18 0.00 0.00 60.65 57.85 3hhw h LYS 155 Cb 1.43 0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 32.25 3hhw h LYS 155 CO 0.06 1.21 -0.13 1.25 -1.08 0.00 0.00 179.45 180.76 3hhw h LEU 156 N 0.20 0.00 -0.87 2.94 6.46 -1.07 -2.70 115.31 120.27 3hhw h LEU 156 Ca -0.12 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.52 3hhw h LEU 156 Cb 1.77 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.69 3hhw h LEU 156 CO 0.19 0.13 -0.53 -0.03 -0.62 0.00 0.00 178.44 177.58 3hhw h MET 157 N 0.00 0.09 -0.06 1.25 4.05 -1.55 -3.09 114.93 115.62 3hhw h MET 157 Ca -0.00 -0.05 -0.12 0.00 -0.28 0.00 0.00 59.70 59.25 3hhw h MET 157 Cb 0.65 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 3hhw h MET 157 CO 0.02 0.60 -0.50 -0.44 0.23 0.00 0.00 176.91 176.82 3hhw h ASP 158 N 0.07 0.15 1.58 1.39 3.32 -1.37 -3.03 116.42 118.54 3hhw h ASP 158 Ca -0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3hhw h ASP 158 Cb 0.96 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.47 3hhw h ASP 158 CO 0.07 0.63 0.00 1.23 -1.72 0.00 0.00 179.24 179.45 3hhw h GLY 159 N 1.41 0.00 1.72 2.75 0.00 -1.55 -3.16 103.07 104.25 3hhw h GLY 159 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hhw h GLY 159 CO 0.07 0.00 -0.18 1.04 0.00 0.00 0.00 176.54 177.47 3hhw n LEU 160 N -2.83 0.55 0.03 3.11 4.77 -1.15 -3.51 117.00 117.97 3hhw n LEU 160 Ca 0.04 0.42 -0.07 0.00 -0.03 0.00 0.00 56.01 56.37 3hhw n LEU 160 Cb 0.44 -0.33 0.10 0.00 -2.33 0.00 0.00 43.42 41.30 3hhw n LEU 160 CO 0.31 -0.08 0.53 0.74 -1.33 0.00 0.00 177.39 177.56 3hhw h THR 161 N 0.00 1.32 0.00 -5.08 2.02 -1.60 -3.07 112.91 106.51 3hhw h THR 161 Ca 0.00 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.45 3hhw h THR 161 Cb 0.65 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 3hhw h THR 161 CO 0.00 0.53 -0.47 0.78 0.37 0.00 0.00 175.52 176.73 3hhw h ASN 162 N 0.37 0.00 -0.60 4.18 2.35 -1.74 -3.35 115.58 116.78 3hhw h ASN 162 Ca 0.02 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.61 3hhw h ASN 162 Cb 1.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.35 3hhw h ASN 162 CO 0.09 0.05 0.15 1.56 -1.65 0.00 0.00 177.43 177.63 3hhw h GLN 163 N 0.00 0.96 -0.95 0.81 1.08 -1.57 -3.25 115.11 112.19 3hhw h GLN 163 Ca 0.00 -0.23 -0.28 0.00 -1.45 0.00 0.00 58.65 56.69 3hhw h GLN 163 Cb 0.83 -0.13 -0.17 0.00 -0.05 0.00 0.00 27.48 27.96 3hhw h GLN 163 CO 0.00 0.88 0.36 0.00 -0.95 0.00 0.00 178.83 179.11 3hhw h LYS 165 N 1.06 0.00 0.00 0.00 1.57 -1.78 -3.44 116.57 113.99 3hhw h LYS 165 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3hhw h LYS 165 Cb 2.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.43 3hhw h LYS 165 CO 0.67 0.24 0.00 0.00 -0.57 0.00 0.00 179.45 179.79 3hhw n MET 166 N -3.09 0.00 -3.92 3.15 0.00 -1.26 -5.14 117.12 106.85 3hhw n MET 166 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 57.70 57.50 3hhw n MET 166 Cb 0.65 -0.06 -0.04 0.00 0.00 0.00 0.00 33.22 33.76 3hhw n MET 166 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3hhw s ILE 167 N -1.85 3.80 1.15 3.17 1.01 -1.25 -5.11 121.20 122.11 3hhw s ILE 167 Ca 0.00 -1.40 -0.13 0.00 0.00 0.00 0.00 60.65 59.12 3hhw s ILE 167 Cb 0.00 -3.24 0.25 0.00 0.01 0.00 0.00 42.46 39.48 3hhw s ILE 167 CO 0.00 -0.23 0.89 0.59 0.00 0.00 0.00 174.94 176.18 3hhw n ASN 168 N -1.30 -1.66 -4.63 3.58 3.02 -1.26 -3.98 115.26 109.03 3hhw n ASN 168 Ca -0.04 -0.10 -0.43 0.00 -0.03 0.00 0.00 54.58 53.98 3hhw n ASN 168 Cb 0.59 -1.24 -0.02 0.00 -0.61 0.00 0.00 39.78 38.50 3hhw n ASN 168 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3hhw s GLU 169 N -4.28 3.84 0.02 3.52 2.02 -1.26 -4.70 118.70 117.86 3hhw s GLU 169 Ca 0.67 1.63 0.03 0.00 0.02 0.00 0.00 54.97 57.32 3hhw s GLU 169 Cb -0.24 -4.01 -0.02 0.00 0.10 0.00 0.00 34.13 29.97 3hhw s GLU 169 CO 0.65 -1.24 -0.10 -0.65 0.02 0.00 0.00 175.26 173.94 3hhw s GLN 170 N 4.55 0.70 0.14 1.61 -0.21 -1.26 -5.14 119.66 120.06 3hhw s GLN 170 Ca 0.69 -0.57 0.11 0.00 0.02 0.00 0.00 55.36 55.61 3hhw s GLN 170 Cb -0.24 -0.64 -0.04 0.00 1.00 0.00 0.00 33.01 33.09 3hhw s GLN 170 CO 0.28 0.16 -0.23 -0.06 -2.12 0.00 0.00 175.29 173.31 3hhw s PHE 171 N -0.73 2.37 0.03 0.91 0.40 -1.26 -5.03 117.98 114.68 3hhw s PHE 171 Ca -0.01 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 55.98 3hhw s PHE 171 Cb -0.06 -1.25 0.00 0.00 0.51 0.00 0.00 43.02 42.22 3hhw s PHE 171 CO 0.00 0.40 0.00 0.39 0.70 0.00 0.00 175.22 176.71 3hhw n GLU 172 N 0.69 0.00 -1.90 0.44 1.02 -1.26 -5.07 120.64 114.56 3hhw n GLU 172 Ca -0.16 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.66 3hhw n GLU 172 Cb 0.54 -0.43 0.02 0.00 -0.02 0.00 0.00 31.44 31.55 3hhw n GLU 172 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3hhw s PRO 173 N -2.00 3.26 0.57 3.49 0.02 -1.26 -4.06 135.00 135.02 3hhw s PRO 173 Ca 0.00 1.06 -0.20 0.00 0.02 0.00 0.00 61.00 61.88 3hhw s PRO 173 Cb 0.00 -2.03 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 3hhw s PRO 173 CO 0.00 -0.85 1.25 -0.51 -0.33 0.00 0.00 177.00 176.56 3hhw s LEU 174 N -4.88 3.74 -0.14 -5.54 1.43 -1.26 -5.01 118.68 107.02 3hhw s LEU 174 Ca 0.60 2.49 -0.12 0.00 -1.03 0.00 0.00 54.13 56.08 3hhw s LEU 174 Cb -0.14 -4.49 -0.09 0.00 0.03 0.00 0.00 46.19 41.50 3hhw s LEU 174 CO 0.44 -1.56 0.08 0.58 0.23 0.00 0.00 176.35 176.12 3hhw h VAL 175 N 1.08 0.43 0.08 -1.59 2.07 -1.95 -3.39 116.25 112.99 3hhw h VAL 175 Ca -0.50 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 65.59 3hhw h VAL 175 Cb 1.30 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3hhw h VAL 175 CO 0.56 0.14 -0.04 -0.65 0.02 0.00 0.00 177.57 177.60 3hhw h PRO 176 N -1.00 -0.11 0.00 1.57 0.11 -2.06 -3.42 132.00 127.09 3hhw h PRO 176 Ca -0.07 0.01 -0.34 0.00 0.11 0.00 0.00 66.00 65.70 3hhw h PRO 176 Cb 0.59 0.02 -0.06 0.00 0.11 0.00 0.00 31.00 31.66 3hhw h PRO 176 CO -0.04 -0.07 -2.16 0.39 -0.21 0.00 0.00 178.00 175.90 3hhw n GLU 177 N -3.33 0.67 -1.75 1.05 1.02 -1.26 -4.71 120.64 112.34 3hhw n GLU 177 Ca -0.01 0.10 -0.38 0.00 -0.02 0.00 0.00 57.16 56.84 3hhw n GLU 177 Cb 0.04 -1.61 -0.04 0.00 -0.02 0.00 0.00 31.44 29.81 3hhw n GLU 177 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hhw n GLY 178 N 1.70 2.32 0.00 0.62 0.00 -1.26 -4.26 105.19 104.31 3hhw n GLY 178 Ca -0.28 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3hhw n GLY 178 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hhw n ARG 179 N 7.51 2.61 0.00 1.61 1.74 -1.26 -4.08 116.66 124.79 3hhw n ARG 179 Ca 0.48 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.70 3hhw n ARG 179 Cb 0.43 -0.97 0.45 0.00 -1.02 0.00 0.00 32.46 31.35 3hhw n ARG 179 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3hhw n ASP 180 N -1.75 1.26 0.03 0.55 8.00 -1.26 -4.11 116.55 119.27 3hhw n ASP 180 Ca 0.00 -1.19 0.06 0.00 0.71 0.00 0.00 54.79 54.37 3hhw n ASP 180 Cb 0.31 0.06 0.28 0.00 -0.02 0.00 0.00 41.12 41.76 3hhw n ASP 180 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3hhw n ILE 181 N -0.24 1.21 -0.11 0.53 -5.35 -1.26 -2.50 119.36 111.64 3hhw n ILE 181 Ca 0.16 0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.97 3hhw n ILE 181 Cb 0.35 -1.18 0.00 0.00 -1.74 0.00 0.00 39.64 37.07 3hhw n ILE 181 CO 0.00 0.00 0.00 2.22 -1.76 0.00 0.00 176.55 177.01 3hhw n PHE 182 N -1.65 0.00 -0.08 4.28 1.16 -1.26 -4.73 117.46 115.18 3hhw n PHE 182 Ca 0.02 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.51 3hhw n PHE 182 Cb 0.13 0.00 0.05 0.00 -1.61 0.00 0.00 39.48 38.05 3hhw n PHE 182 CO 0.00 0.00 0.00 -0.44 -1.87 0.00 0.00 176.76 174.45 3hhw h ASP 183 N 0.00 0.83 -0.11 5.98 3.32 -1.65 -3.11 116.42 121.69 3hhw h ASP 183 Ca 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3hhw h ASP 183 Cb 0.06 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.38 3hhw h ASP 183 CO 0.00 1.08 0.00 0.52 -1.72 0.00 0.00 179.24 179.12 3hhw n VAL 184 N -4.07 0.14 -0.09 -1.35 0.31 -1.20 -3.82 118.33 108.24 3hhw n VAL 184 Ca -0.01 -0.20 -0.13 0.00 -0.01 0.00 0.00 64.34 64.00 3hhw n VAL 184 Cb 0.49 0.08 -0.05 0.00 -0.91 0.00 0.00 33.84 33.45 3hhw n VAL 184 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 3hhw h TRP 185 N 1.16 0.66 0.00 3.52 4.06 -1.83 -3.19 115.95 120.33 3hhw h TRP 185 Ca 0.00 -0.18 0.00 0.00 2.06 0.00 0.00 58.89 60.77 3hhw h TRP 185 Cb 0.26 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 28.27 3hhw h TRP 185 CO 0.07 0.84 0.00 0.41 -3.56 0.00 0.00 178.44 176.20 3hhw n GLY 186 N 0.05 -0.02 0.08 1.49 0.00 -1.25 -2.36 105.19 103.18 3hhw n GLY 186 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.19 0.80 -4.66 1.61 3.02 -1.21 -4.85 115.26 109.79 3hhw n ASN 187 Ca 0.00 0.38 -0.43 0.00 -0.03 0.00 0.00 54.58 54.50 3hhw n ASN 187 Cb 0.04 0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.22 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 -6.02 7.02 0.53 6.41 2.15 -1.00 -4.92 116.67 120.85 3hhw s ASP 188 Ca -0.05 1.39 0.29 0.00 0.43 0.00 0.00 52.55 54.62 3hhw s ASP 188 Cb 0.08 -2.54 1.51 0.00 -0.30 0.00 0.00 42.92 41.66 3hhw s ASP 188 CO 0.83 -0.74 2.08 0.77 -0.17 0.00 0.00 175.17 177.93 3hhw h SER 189 N 7.79 0.00 -0.31 -0.34 4.64 -1.89 -2.61 113.55 120.83 3hhw h SER 189 Ca -0.21 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.01 3hhw h SER 189 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 3hhw h SER 189 CO 0.99 0.10 -0.19 0.78 -0.87 0.00 0.00 176.83 177.64 3hhw h ASN 190 N 0.00 0.71 -0.49 4.97 2.35 -1.93 -2.64 115.58 118.55 3hhw h ASN 190 Ca -0.00 -0.43 -0.05 0.00 -0.55 0.00 0.00 56.30 55.27 3hhw h ASN 190 Cb 0.34 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 3hhw h ASN 190 CO 0.01 0.98 0.10 0.22 -1.65 0.00 0.00 177.43 177.09 3hhw h TYR 191 N 0.44 0.83 -0.50 1.19 3.20 -1.81 -2.83 116.97 117.49 3hhw h TYR 191 Ca 0.06 -0.11 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 3hhw h TYR 191 Cb 0.73 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 3hhw h TYR 191 CO 0.06 0.76 0.09 1.79 -1.64 0.00 0.00 178.16 179.22 3hhw h THR 192 N 0.67 1.22 -0.28 1.81 1.35 -1.55 -2.00 112.91 114.14 3hhw h THR 192 Ca 0.15 -0.84 -0.10 0.00 -0.55 0.00 0.00 66.41 65.07 3hhw h THR 192 Cb 0.36 0.75 -0.01 0.00 -1.73 0.00 0.00 68.15 67.51 3hhw h THR 192 CO 0.01 0.31 -0.24 0.11 -0.25 0.00 0.00 175.52 175.45 3hhw h LYS 193 N 0.74 0.54 0.22 4.72 1.57 -1.38 -1.14 116.57 121.85 3hhw h LYS 193 Ca 0.16 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3hhw h LYS 193 Cb 0.33 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3hhw h LYS 193 CO 0.00 0.74 -0.11 0.82 -0.57 0.00 0.00 179.45 180.34 3hhw h ILE 194 N 0.48 0.84 -0.76 1.86 2.04 -1.24 -2.23 117.51 118.49 3hhw h ILE 194 Ca 0.07 -0.76 0.12 0.00 1.00 0.00 0.00 64.86 65.29 3hhw h ILE 194 Cb 0.68 1.25 -0.08 0.00 -0.74 0.00 0.00 36.82 37.93 3hhw h ILE 194 CO 0.05 0.16 0.36 0.58 0.00 0.00 0.00 178.15 179.30 3hhw h VAL 195 N -0.71 0.76 -0.35 1.67 2.07 -1.31 -1.09 116.25 117.29 3hhw h VAL 195 Ca -0.03 -0.19 -0.13 0.00 0.82 0.00 0.00 66.70 67.16 3hhw h VAL 195 Cb 0.49 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3hhw h VAL 195 CO 0.05 0.10 -0.32 0.00 0.02 0.00 0.00 177.57 177.42 3hhw h ALA 196 N 1.50 0.78 -0.14 1.67 0.00 -1.26 -3.08 119.26 118.73 3hhw h ALA 196 Ca 0.40 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3hhw h ALA 196 Cb 0.52 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3hhw h ALA 196 CO -0.34 0.65 -0.44 0.00 0.00 0.00 0.00 179.25 179.13 3hhw h ALA 197 N 0.99 1.00 0.12 0.00 0.00 -0.69 -1.60 119.26 119.08 3hhw h ALA 197 Ca 0.07 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3hhw h ALA 197 Cb 0.86 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3hhw h ALA 197 CO 0.07 0.62 -0.06 0.28 0.00 0.00 0.00 179.25 180.17 3hhw h VAL 198 N 0.27 0.91 -0.39 0.00 2.07 -1.21 -1.56 116.25 116.34 3hhw h VAL 198 Ca 0.02 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3hhw h VAL 198 Cb 0.88 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3hhw h VAL 198 CO 0.07 0.02 0.15 -0.78 0.02 0.00 0.00 177.57 177.05 3hhw h ASP 199 N -0.20 0.55 -0.37 0.57 3.58 -1.44 -2.05 116.42 117.06 3hhw h ASP 199 Ca -0.02 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.24 3hhw h ASP 199 Cb 0.16 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 3hhw h ASP 199 CO 0.03 0.58 0.19 -0.03 -2.88 0.00 0.00 179.24 177.13 3hhw h MET 200 N 0.48 0.56 0.41 0.28 4.05 -1.27 0.12 114.93 119.56 3hhw h MET 200 Ca 0.13 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 3hhw h MET 200 Cb 0.21 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 3hhw h MET 200 CO -0.01 0.44 -0.20 0.35 0.23 0.00 0.00 176.91 177.73 3hhw h PHE 201 N 0.57 -0.51 -0.00 1.39 3.57 -0.94 -3.07 116.94 117.95 3hhw h PHE 201 Ca 0.14 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3hhw h PHE 201 Cb 0.06 0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.97 3hhw h PHE 201 CO 0.00 -0.20 -0.03 1.19 -2.23 0.00 0.00 178.31 177.05 3hhw n PHE 202 N -5.23 0.00 0.07 0.41 3.72 -0.80 -1.73 117.46 113.89 3hhw n PHE 202 Ca -0.10 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.19 3hhw n PHE 202 Cb 0.28 -0.31 -0.01 0.00 -0.94 0.00 0.00 39.48 38.50 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 0.07 0.49 0.05 1.38 2.76 -0.81 -3.29 115.15 115.80 3hhw h HIS 203 Ca 0.00 -0.26 -0.00 0.00 -2.20 0.00 0.00 60.37 57.91 3hhw h HIS 203 Cb 0.34 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.24 3hhw h HIS 203 CO 0.00 1.06 -0.03 1.98 -1.30 0.00 0.00 177.93 179.64 3hhw h MET 204 N 0.20 -0.07 -4.36 5.26 1.85 -1.32 -3.38 114.93 113.11 3hhw h MET 204 Ca -0.06 0.00 -0.75 0.00 -0.61 0.00 0.00 59.70 58.29 3hhw h MET 204 Cb 1.48 0.02 -0.22 0.00 0.43 0.00 0.00 31.60 33.31 3hhw h MET 204 CO 0.14 0.40 0.40 -0.06 -0.40 0.00 0.00 176.91 177.40 3hhw s PHE 205 N -4.16 3.47 0.13 1.39 0.08 -0.71 -4.90 117.98 113.29 3hhw s PHE 205 Ca -0.15 -1.71 -0.13 0.00 0.12 0.00 0.00 56.93 55.06 3hhw s PHE 205 Cb 0.01 -4.02 -0.03 0.00 -0.57 0.00 0.00 43.02 38.42 3hhw s PHE 205 CO 0.64 -1.21 1.52 0.87 -0.10 0.00 0.00 175.22 176.94 3hhw h LYS 206 N 8.27 0.80 -0.64 0.44 1.57 -1.76 -3.32 116.57 121.94 3hhw h LYS 206 Ca 0.11 -0.32 -0.34 0.00 -1.87 0.00 0.00 60.65 58.22 3hhw h LYS 206 Cb 1.04 -0.04 -0.20 0.00 0.08 0.00 0.00 32.23 33.11 3hhw h LYS 206 CO 0.91 0.95 0.22 1.63 -0.57 0.00 0.00 179.45 182.59 3hhw n LYS 207 N -4.29 2.07 -1.76 3.15 4.76 -1.26 -4.87 118.16 115.95 3hhw n LYS 207 Ca -0.01 -3.16 -0.32 0.00 -2.87 0.00 0.00 58.31 51.95 3hhw n LYS 207 Cb 0.39 -1.99 0.03 0.00 -1.84 0.00 0.00 35.03 31.62 3hhw n LYS 207 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3hhw s HIS 208 N -3.31 3.03 0.39 2.13 5.65 -1.25 -4.97 115.29 116.97 3hhw s HIS 208 Ca 0.50 1.47 0.12 0.00 0.25 0.00 0.00 55.06 57.40 3hhw s HIS 208 Cb 0.44 -2.94 0.81 0.00 -1.18 0.00 0.00 32.58 29.71 3hhw s HIS 208 CO 0.04 -1.20 1.90 0.93 -0.65 0.00 0.00 174.74 175.75 3hhw h GLU 209 N -0.23 0.09 -0.66 2.88 3.07 -1.94 -2.80 114.58 114.98 3hhw h GLU 209 Ca -0.45 -0.02 -0.40 0.00 -0.50 0.00 0.00 59.36 57.98 3hhw h GLU 209 Cb 1.22 -0.01 -0.23 0.00 -0.84 0.00 0.00 28.75 28.88 3hhw h GLU 209 CO 0.57 0.33 0.13 0.00 -1.40 0.00 0.00 179.01 178.63 3hhw n ALA 211 N -1.03 2.37 1.39 0.00 0.00 -1.06 -3.29 120.51 118.89 3hhw n ALA 211 Ca 0.46 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.94 3hhw n ALA 211 Cb 1.08 -1.44 0.61 0.00 0.00 0.00 0.00 19.45 19.71 3hhw n ALA 211 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hhw n SER 212 N -2.12 0.00 0.09 0.00 3.41 -1.26 -2.42 113.62 111.31 3hhw n SER 212 Ca 0.06 -0.74 0.12 0.00 -0.26 0.00 0.00 58.87 58.04 3hhw n SER 212 Cb 0.42 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.82 3hhw n SER 212 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3hhw n PHE 213 N -0.96 0.63 0.28 7.33 3.72 -1.21 -2.96 117.46 124.29 3hhw n PHE 213 Ca 0.15 0.22 0.17 0.00 -0.05 0.00 0.00 57.45 57.95 3hhw n PHE 213 Cb 0.07 -0.86 0.70 0.00 -0.94 0.00 0.00 39.48 38.45 3hhw n PHE 213 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hhw h ARG 214 N 0.00 0.00 0.00 -1.08 3.08 -1.76 -2.70 114.38 111.92 3hhw h ARG 214 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hhw h ARG 214 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3hhw h ARG 214 CO 0.00 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.56 3hhw n TYR 215 N -3.08 0.00 -0.03 3.04 4.01 -1.16 -0.73 117.16 119.21 3hhw n TYR 215 Ca 0.01 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 3hhw n TYR 215 Cb 0.30 -0.23 -0.06 0.00 -0.31 0.00 0.00 39.34 39.05 3hhw n TYR 215 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hhw n GLY 216 N -0.87 -0.35 0.28 2.72 0.00 -1.02 -4.82 105.19 101.13 3hhw n GLY 216 Ca 0.02 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.95 3hhw n GLY 216 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hhw n THR 217 N -2.24 0.33 0.01 2.61 -2.24 -0.82 -4.15 114.28 107.77 3hhw n THR 217 Ca -0.11 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3hhw n THR 217 Cb 0.71 0.92 0.31 0.00 -2.10 0.00 0.00 70.33 70.17 3hhw n THR 217 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3hhw h ILE 218 N 1.15 1.19 0.00 2.28 2.10 -1.24 -2.71 117.51 120.28 3hhw h ILE 218 Ca 0.00 -0.74 0.00 0.00 1.08 0.00 0.00 64.86 65.20 3hhw h ILE 218 Cb 0.37 0.93 0.00 0.00 -1.09 0.00 0.00 36.82 37.03 3hhw h ILE 218 CO 0.00 0.25 0.00 -0.37 -1.08 0.00 0.00 178.15 176.95 3hhw h VAL 219 N 0.49 0.00 0.00 2.19 -1.51 -1.84 -1.22 116.25 114.36 3hhw h VAL 219 Ca 0.11 -0.10 -0.09 0.00 -1.23 0.00 0.00 66.70 65.40 3hhw h VAL 219 Cb 0.30 0.74 -0.01 0.00 -2.13 0.00 0.00 31.29 30.19 3hhw h VAL 219 CO 0.01 0.00 -0.41 -1.28 -1.23 0.00 0.00 177.57 174.66 3hhw h SER 220 N 0.00 0.00 -2.90 4.19 0.87 -1.83 -3.38 113.55 110.49 3hhw h SER 220 Ca 0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 3hhw h SER 220 Cb 0.13 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 3hhw h SER 220 CO 0.00 0.41 0.89 -0.60 -0.53 0.00 0.00 176.83 177.00 3hhw s ARG 221 N -3.19 4.25 0.00 2.24 3.52 -0.46 -2.83 118.95 122.47 3hhw s ARG 221 Ca 0.03 1.73 0.00 0.00 -0.13 0.00 0.00 55.73 57.36 3hhw s ARG 221 Cb 0.08 -3.75 0.00 0.00 -1.56 0.00 0.00 34.95 29.72 3hhw s ARG 221 CO 0.71 -0.68 0.00 1.19 -0.81 0.00 0.00 175.30 175.71 3hhw n PHE 222 N 6.41 0.00 -1.76 5.12 3.72 -0.95 -4.99 117.46 125.01 3hhw n PHE 222 Ca 0.14 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.12 3hhw n PHE 222 Cb 0.45 -1.16 -0.01 0.00 -0.94 0.00 0.00 39.48 37.81 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 -1.00 2.71 -0.79 -1.08 4.81 -1.13 -1.43 118.16 120.26 3hhw n LYS 223 Ca 0.00 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 3hhw n LYS 223 Cb 0.21 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.52 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 1.62 0.00 -2.12 3.14 8.00 -1.26 -4.83 116.55 121.10 3hhw n ASP 224 Ca 0.06 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.31 3hhw n ASP 224 Cb 0.37 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.50 3hhw n ASP 224 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hhw h ALA 226 N 2.24 1.13 -0.33 0.00 0.00 -1.59 -2.65 119.26 118.07 3hhw h ALA 226 Ca 0.38 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3hhw h ALA 226 Cb 1.38 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3hhw h ALA 226 CO 0.84 0.57 0.22 0.00 0.00 0.00 0.00 179.25 180.87 3hhw h ALA 227 N 1.28 1.86 -0.03 0.00 0.00 -1.29 -1.09 119.26 119.98 3hhw h ALA 227 Ca 0.15 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 3hhw h ALA 227 Cb 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hhw h ALA 227 CO 0.01 0.11 -0.75 -0.07 0.00 0.00 0.00 179.25 178.55 3hhw h LEU 228 N 0.36 0.26 -0.70 0.00 3.38 -1.66 -2.76 115.31 114.19 3hhw h LEU 228 Ca 0.13 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3hhw h LEU 228 Cb 0.07 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3hhw h LEU 228 CO -0.03 0.92 0.09 0.00 0.09 0.00 0.00 178.44 179.51 3hhw h ALA 229 N 1.08 0.92 -0.28 1.53 0.00 -1.11 -0.57 119.26 120.81 3hhw h ALA 229 Ca -0.03 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.65 3hhw h ALA 229 Cb 1.33 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3hhw h ALA 229 CO 0.12 0.67 0.05 1.15 0.00 0.00 0.00 179.25 181.23 3hhw h THR 230 N 1.02 0.85 -0.18 0.00 2.02 -1.21 0.25 112.91 115.66 3hhw h THR 230 Ca 0.20 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.33 3hhw h THR 230 Cb 0.46 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3hhw h THR 230 CO 0.02 0.03 0.12 0.15 0.37 0.00 0.00 175.52 176.20 3hhw h PHE 231 N 0.15 0.23 -0.81 3.16 3.57 -1.25 0.54 116.94 122.52 3hhw h PHE 231 Ca 0.13 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3hhw h PHE 231 Cb 0.15 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 3hhw h PHE 231 CO -0.18 0.15 0.51 0.78 -2.23 0.00 0.00 178.31 177.35 3hhw h GLY 232 N 0.24 1.15 1.45 2.40 0.00 -0.89 -2.17 103.07 105.26 3hhw h GLY 232 Ca 0.07 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 46.82 3hhw h GLY 232 CO -0.01 0.44 -0.34 0.84 0.00 0.00 0.00 176.54 177.47 3hhw h HIS 233 N 1.11 0.72 -0.48 5.60 -0.00 0.03 -2.55 115.15 119.57 3hhw h HIS 233 Ca 0.29 -0.19 -0.06 0.00 -0.00 0.00 0.00 60.37 60.42 3hhw h HIS 233 Cb -0.09 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.14 3hhw h HIS 233 CO 0.00 0.88 0.08 1.25 -0.00 0.00 0.00 177.93 180.14 3hhw h LEU 234 N 0.52 0.76 -0.32 0.26 6.46 -0.58 -1.73 115.31 120.69 3hhw h LEU 234 Ca 0.06 -0.26 -0.02 0.00 -0.12 0.00 0.00 57.88 57.54 3hhw h LEU 234 Cb 0.83 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 3hhw h LEU 234 CO 0.07 0.83 0.14 0.00 -0.62 0.00 0.00 178.44 178.85 3hhw h LYS 236 N 0.38 0.38 0.17 0.00 6.56 -1.42 0.14 116.57 122.78 3hhw h LYS 236 Ca 0.11 -0.07 -0.31 0.00 -1.06 0.00 0.00 60.65 59.31 3hhw h LYS 236 Cb 0.17 -0.06 0.01 0.00 -0.57 0.00 0.00 32.23 31.78 3hhw h LYS 236 CO -0.01 0.43 -1.47 0.97 -2.06 0.00 0.00 179.45 177.31 3hhw h ILE 237 N 0.37 1.26 0.00 1.86 6.09 -1.05 -3.27 117.51 122.77 3hhw h ILE 237 Ca 0.08 -2.81 0.00 0.00 -1.37 0.00 0.00 64.86 60.76 3hhw h ILE 237 Cb 0.28 2.90 0.00 0.00 0.47 0.00 0.00 36.82 40.47 3hhw h ILE 237 CO 0.01 0.84 -0.42 0.71 -3.07 0.00 0.00 178.15 176.22 3hhw h THR 238 N 0.10 0.00 -0.42 2.19 1.35 -1.17 -3.48 112.91 111.48 3hhw h THR 238 Ca -0.23 -0.83 -0.18 0.00 -0.55 0.00 0.00 66.41 64.62 3hhw h THR 238 Cb 2.06 1.60 -0.07 0.00 -1.73 0.00 0.00 68.15 70.01 3hhw h THR 238 CO 0.21 0.00 -0.16 0.61 -0.25 0.00 0.00 175.52 175.93 3hhw n GLY 239 N 1.20 1.04 3.95 5.82 0.00 0.47 -5.01 105.19 112.66 3hhw n GLY 239 Ca 0.03 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.58 2.84 0.97 1.61 -1.94 -1.03 -5.01 119.30 114.17 3hhw s MET 240 Ca 0.00 -1.24 -0.15 0.00 -1.71 0.00 0.00 55.69 52.59 3hhw s MET 240 Cb 0.00 -2.65 0.18 0.00 2.01 0.00 0.00 34.83 34.37 3hhw s MET 240 CO 0.00 -0.08 1.19 -1.54 -0.01 0.00 0.00 175.02 174.58 3hhw s SER 241 N -4.18 2.97 0.26 3.03 1.04 -1.26 -4.64 113.70 110.92 3hhw s SER 241 Ca 0.48 0.68 0.03 0.00 0.48 0.00 0.00 55.95 57.62 3hhw s SER 241 Cb -0.08 -1.02 0.36 0.00 0.10 0.00 0.00 66.02 65.38 3hhw s SER 241 CO 0.30 -2.86 1.66 0.71 0.98 0.00 0.00 173.24 174.03 3hhw h THR 242 N -1.71 1.30 -0.34 2.02 1.35 -1.97 -2.52 112.91 111.04 3hhw h THR 242 Ca -0.47 -1.52 -0.12 0.00 -0.55 0.00 0.00 66.41 63.74 3hhw h THR 242 Cb 1.30 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 69.32 3hhw h THR 242 CO 0.50 0.47 -0.27 -0.33 -0.25 0.00 0.00 175.52 175.64 3hhw h GLU 243 N 0.32 0.78 -0.15 4.72 3.07 -2.00 -2.26 114.58 119.07 3hhw h GLU 243 Ca 0.03 -0.39 -0.15 0.00 -0.50 0.00 0.00 59.36 58.35 3hhw h GLU 243 Cb 0.84 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.74 3hhw h GLU 243 CO 0.07 1.01 -0.55 -0.44 -1.40 0.00 0.00 179.01 177.70 3hhw h ASP 244 N 0.56 0.49 -0.15 1.42 5.19 -1.93 -2.84 116.42 119.16 3hhw h ASP 244 Ca 0.06 -0.26 -0.01 0.00 -0.62 0.00 0.00 57.03 56.20 3hhw h ASP 244 Cb 0.84 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.20 3hhw h ASP 244 CO 0.07 0.94 0.05 0.58 -3.12 0.00 0.00 179.24 177.76 3hhw h VAL 245 N 0.34 1.17 -1.00 -1.35 2.07 -1.45 -2.83 116.25 113.20 3hhw h VAL 245 Ca 0.01 -0.51 0.22 0.00 0.82 0.00 0.00 66.70 67.23 3hhw h VAL 245 Cb 1.07 1.24 -0.11 0.00 -1.52 0.00 0.00 31.29 31.97 3hhw h VAL 245 CO 0.10 0.16 0.62 0.74 0.02 0.00 0.00 177.57 179.20 3hhw h THR 246 N 0.07 0.63 0.00 2.57 2.02 -1.36 -0.58 112.91 116.25 3hhw h THR 246 Ca 0.05 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3hhw h THR 246 Cb 0.20 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 3hhw h THR 246 CO -0.00 0.11 0.00 0.00 0.37 0.00 0.00 175.52 176.00 3hhw h THR 247 N 0.62 0.00 -0.04 3.16 1.03 -1.25 -2.50 112.91 113.93 3hhw h THR 247 Ca 0.59 -0.46 0.00 0.00 -0.01 0.00 0.00 66.41 66.53 3hhw h THR 247 Cb 1.11 1.38 0.00 0.00 -1.07 0.00 0.00 68.15 69.57 3hhw h THR 247 CO -0.37 0.00 0.00 0.79 -0.01 0.00 0.00 175.52 175.93 3hhw n TRP 248 N -2.77 0.04 -2.06 0.00 7.02 -0.23 -4.86 117.44 114.58 3hhw n TRP 248 Ca 0.02 -0.02 -0.43 0.00 -1.02 0.00 0.00 57.50 56.05 3hhw n TRP 248 Cb 0.31 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.17 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 -1.96 3.64 -0.37 -0.99 1.01 -0.95 -4.89 121.20 116.70 3hhw s ILE 249 Ca 0.36 0.76 0.04 0.00 0.00 0.00 0.00 60.65 61.81 3hhw s ILE 249 Cb 0.20 -3.56 0.11 0.00 0.01 0.00 0.00 42.46 39.22 3hhw s ILE 249 CO 0.32 -0.14 1.04 0.18 0.00 0.00 0.00 174.94 176.34 3hhw n LEU 250 N 7.69 2.23 -4.17 2.97 4.77 -1.26 -4.99 117.00 124.24 3hhw n LEU 250 Ca 0.18 -1.88 -0.26 0.00 -0.03 0.00 0.00 56.01 54.02 3hhw n LEU 250 Cb 0.44 -0.08 -0.16 0.00 -2.33 0.00 0.00 43.42 41.29 3hhw n LEU 250 CO 0.63 0.55 -0.51 0.20 -1.33 0.00 0.00 177.39 176.93 3hhw s ASN 251 N -0.92 2.21 0.30 -1.43 0.01 -1.26 -5.05 114.94 108.80 3hhw s ASN 251 Ca 0.08 -0.35 -0.02 0.00 -0.71 0.00 0.00 52.86 51.87 3hhw s ASN 251 Cb 0.04 -0.41 0.45 0.00 0.41 0.00 0.00 41.25 41.74 3hhw s ASN 251 CO 0.06 0.20 1.96 -0.09 -1.51 0.00 0.00 177.10 177.72 3hhw h ARG 252 N 5.93 1.08 -0.24 -0.60 2.43 -1.99 -1.87 114.38 119.12 3hhw h ARG 252 Ca -0.35 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 58.64 3hhw h ARG 252 Cb 1.16 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 3hhw h ARG 252 CO 0.48 0.71 -0.32 0.93 -1.51 0.00 0.00 179.97 180.27 3hhw h GLU 253 N 1.11 0.50 -0.14 0.20 3.07 -1.99 -0.21 114.58 117.12 3hhw h GLU 253 Ca 0.31 -0.21 -0.03 0.00 -0.50 0.00 0.00 59.36 58.93 3hhw h GLU 253 Cb -0.10 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 27.79 3hhw h GLU 253 CO -0.07 0.76 -0.03 0.28 -1.40 0.00 0.00 179.01 178.55 3hhw h VAL 254 N 0.43 1.28 -0.34 3.13 2.07 -1.81 -1.96 116.25 119.05 3hhw h VAL 254 Ca 0.05 -0.95 0.06 0.00 0.82 0.00 0.00 66.70 66.69 3hhw h VAL 254 Cb 0.76 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 32.10 3hhw h VAL 254 CO 0.06 0.28 -0.02 0.00 0.02 0.00 0.00 177.57 177.91 3hhw h ALA 255 N 0.72 0.29 -0.80 1.67 0.00 -1.17 0.41 119.26 120.38 3hhw h ALA 255 Ca 0.04 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3hhw h ALA 255 Cb 0.44 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 3hhw h ALA 255 CO 0.01 -0.41 0.49 -0.44 0.00 0.00 0.00 179.25 178.90 3hhw h ASP 256 N 0.07 0.79 -0.10 0.00 3.32 -1.03 -0.09 116.42 119.39 3hhw h ASP 256 Ca 0.17 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.10 3hhw h ASP 256 Cb 0.23 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3hhw h ASP 256 CO -0.29 0.52 -0.35 -0.33 -1.72 0.00 0.00 179.24 177.06 3hhw h GLU 257 N 0.93 0.60 -0.53 3.56 5.08 -0.53 -2.03 114.58 121.65 3hhw h GLU 257 Ca 0.34 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 3hhw h GLU 257 Cb 0.11 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3hhw h GLU 257 CO -0.15 0.87 -0.09 1.98 -1.00 0.00 0.00 179.01 180.62 3hhw h MET 258 N 0.50 0.97 -0.46 2.33 4.05 0.45 -1.95 114.93 120.82 3hhw h MET 258 Ca 0.05 -0.34 -0.12 0.00 -0.28 0.00 0.00 59.70 59.01 3hhw h MET 258 Cb 0.85 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.56 3hhw h MET 258 CO 0.07 1.01 -0.19 0.28 0.23 0.00 0.00 176.91 178.31 3hhw h VAL 259 N 0.87 1.27 0.02 -5.77 2.07 -0.95 -2.48 116.25 111.29 3hhw h VAL 259 Ca 0.14 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.34 3hhw h VAL 259 Cb 0.63 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3hhw h VAL 259 CO 0.04 0.46 -0.07 -0.61 0.02 0.00 0.00 177.57 177.41 3hhw h GLN 260 N 0.80 -0.13 0.00 1.57 4.15 -1.13 -2.81 115.11 117.56 3hhw h GLN 260 Ca 0.11 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3hhw h GLN 260 Cb 0.74 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.46 3hhw h GLN 260 CO 0.06 -0.09 0.00 0.00 -1.93 0.00 0.00 178.83 176.87 3hhw n MET 261 N -5.19 0.48 -1.38 1.69 0.00 -0.75 -3.59 117.12 108.38 3hhw n MET 261 Ca -0.06 0.01 -0.20 0.00 0.00 0.00 0.00 57.70 57.45 3hhw n MET 261 Cb 0.12 -1.50 0.11 0.00 0.00 0.00 0.00 33.22 31.94 3hhw n MET 261 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 3hhw n MET 262 N -1.25 2.68 -1.72 3.17 2.81 -0.94 -5.02 117.12 116.84 3hhw n MET 262 Ca 0.15 -3.54 -0.42 0.00 -1.81 0.00 0.00 57.70 52.08 3hhw n MET 262 Cb 0.21 -2.12 -0.03 0.00 -0.71 0.00 0.00 33.22 30.58 3hhw n MET 262 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3hhw n LEU 263 N -0.94 4.05 -0.32 4.03 4.77 -1.23 -4.89 117.00 122.48 3hhw n LEU 263 Ca 0.46 1.09 0.24 0.00 -0.03 0.00 0.00 56.01 57.78 3hhw n LEU 263 Cb 0.95 -1.57 0.54 0.00 -2.33 0.00 0.00 43.42 41.01 3hhw n LEU 263 CO 0.44 0.13 1.23 -0.65 -1.33 0.00 0.00 177.39 177.21 3hhw h PRO 264 N 5.96 0.34 -2.18 3.23 0.11 -1.95 -3.33 132.00 134.17 3hhw h PRO 264 Ca -0.45 -0.02 -0.57 0.00 0.11 0.00 0.00 66.00 65.08 3hhw h PRO 264 Cb 1.21 -0.08 -0.41 0.00 0.11 0.00 0.00 31.00 31.84 3hhw h PRO 264 CO 0.89 0.22 -0.79 0.41 -0.21 0.00 0.00 178.00 178.52 3hhw n GLY 265 N -1.51 4.78 0.05 -0.55 0.00 -1.26 -4.77 105.19 101.93 3hhw n GLY 265 Ca 0.25 -2.45 0.01 0.00 0.00 0.00 0.00 46.02 43.83 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 0.24 -0.10 -3.31 1.61 1.13 -1.25 -4.71 117.38 110.99 3hhw n GLN 266 Ca 0.29 -0.76 -0.16 0.00 -1.94 0.00 0.00 57.00 54.43 3hhw n GLN 266 Cb 0.46 -1.02 0.08 0.00 0.11 0.00 0.00 30.24 29.87 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 -0.03 -6.09 0.04 -1.09 1.02 -1.26 -4.69 120.64 108.55 3hhw n GLU 267 Ca 0.01 0.77 -0.13 0.00 -0.02 0.00 0.00 57.16 57.79 3hhw n GLU 267 Cb 0.07 -5.56 -0.09 0.00 -0.02 0.00 0.00 31.44 25.85 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 -1.77 1.12 -0.17 -3.67 1.08 -1.94 -3.28 117.51 108.88 3hhw h ILE 268 Ca -0.53 -0.92 0.00 0.00 -0.39 0.00 0.00 64.86 63.01 3hhw h ILE 268 Cb 1.31 1.69 0.00 0.00 -3.07 0.00 0.00 36.82 36.75 3hhw h ILE 268 CO 0.46 0.22 0.00 -0.90 -0.69 0.00 0.00 178.15 177.24 3hhw n ASP 269 N -4.95 1.30 -4.74 1.72 5.68 -1.26 -4.89 116.55 109.40 3hhw n ASP 269 Ca -0.09 -1.76 -0.41 0.00 -0.50 0.00 0.00 54.79 52.04 3hhw n ASP 269 Cb 0.24 -0.11 -0.05 0.00 -1.14 0.00 0.00 41.12 40.06 3hhw n ASP 269 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3hhw s LYS 270 N -1.78 4.72 0.00 0.11 2.20 -1.24 -5.01 119.74 118.74 3hhw s LYS 270 Ca 0.27 1.59 0.00 0.00 -0.36 0.00 0.00 55.97 57.46 3hhw s LYS 270 Cb 0.14 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 3hhw s LYS 270 CO 0.21 0.28 0.64 0.00 -0.36 0.00 0.00 175.35 176.12 3hhw n ALA 271 N 1.99 -0.10 -3.57 3.13 0.00 -1.26 -4.50 120.51 116.20 3hhw n ALA 271 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 3hhw n ALA 271 Cb 0.47 0.09 -0.10 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 -2.27 5.51 0.27 0.00 1.01 -1.26 -5.06 116.67 114.88 3hhw s ASP 272 Ca 0.00 -1.83 0.02 0.00 0.71 0.00 0.00 52.55 51.45 3hhw s ASP 272 Cb 0.00 -1.94 -0.04 0.00 1.01 0.00 0.00 42.92 41.95 3hhw s ASP 272 CO 0.00 -0.59 0.14 -0.55 0.21 0.00 0.00 175.17 174.37 3hhw s SER 273 N 2.22 1.18 0.19 0.27 0.15 -1.26 -4.89 113.70 111.56 3hhw s SER 273 Ca 0.05 -1.48 0.02 0.00 0.70 0.00 0.00 55.95 55.25 3hhw s SER 273 Cb -0.24 0.31 0.08 0.00 -1.71 0.00 0.00 66.02 64.46 3hhw s SER 273 CO -0.01 -0.83 1.44 1.88 1.20 0.00 0.00 173.24 176.91 3hhw h TYR 274 N 2.34 0.34 -0.95 3.44 -1.99 -1.93 -3.39 116.97 114.83 3hhw h TYR 274 Ca -0.35 -0.16 0.19 0.00 2.00 0.00 0.00 58.73 60.40 3hhw h TYR 274 Cb 1.25 -0.05 -0.18 0.00 2.00 0.00 0.00 36.73 39.75 3hhw h TYR 274 CO 0.74 0.92 -0.23 1.98 -0.00 0.00 0.00 178.16 181.57 3hhw h MET 275 N 0.15 0.00 0.00 4.88 4.05 -1.85 -1.64 114.93 120.53 3hhw h MET 275 Ca -0.03 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 3hhw h MET 275 Cb 1.36 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.16 3hhw h MET 275 CO 0.12 0.00 0.21 -1.35 0.23 0.00 0.00 176.91 176.12 3hhw h PRO 276 N 0.00 0.00 -0.34 0.39 0.11 -1.90 -2.35 132.00 127.91 3hhw h PRO 276 Ca 0.46 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.31 3hhw h PRO 276 Cb 0.70 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 31.59 3hhw h PRO 276 CO -0.97 0.00 -0.70 0.66 -0.21 0.00 0.00 178.00 176.78 3hhw n TYR 277 N -2.93 1.23 -0.02 0.65 4.01 -0.62 -2.25 117.16 117.23 3hhw n TYR 277 Ca -0.02 -1.78 0.12 0.00 -0.16 0.00 0.00 57.90 56.06 3hhw n TYR 277 Cb 0.26 -0.28 0.54 0.00 -0.31 0.00 0.00 39.34 39.55 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 1.59 0.28 0.06 7.72 -0.00 -1.50 -1.46 115.31 122.00 3hhw h LEU 278 Ca 0.14 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.88 3hhw h LEU 278 Cb 1.30 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 41.90 3hhw h LEU 278 CO 0.34 0.17 -0.70 0.40 -0.00 0.00 0.00 178.44 178.65 3hhw h ILE 279 N 0.31 1.43 -0.04 0.15 1.08 -1.88 -1.46 117.51 117.09 3hhw h ILE 279 Ca 0.23 -2.38 0.01 0.00 -0.39 0.00 0.00 64.86 62.32 3hhw h ILE 279 Cb 0.50 3.02 -0.00 0.00 -3.07 0.00 0.00 36.82 37.27 3hhw h ILE 279 CO -0.05 0.61 0.03 0.44 -0.69 0.00 0.00 178.15 178.48 3hhw h ASP 280 N -0.70 0.02 -0.14 1.72 3.32 -1.82 -1.00 116.42 117.83 3hhw h ASP 280 Ca -0.16 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3hhw h ASP 280 Cb 1.37 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.91 3hhw h ASP 280 CO 0.02 0.02 0.00 0.49 -1.72 0.00 0.00 179.24 178.04 3hhw n PHE 281 N -4.53 0.17 -1.07 4.55 3.72 -0.58 -3.14 117.46 116.57 3hhw n PHE 281 Ca -0.02 -0.08 -0.02 0.00 -0.05 0.00 0.00 57.45 57.27 3hhw n PHE 281 Cb 0.11 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.63 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 1.18 0.51 0.24 1.37 0.00 -0.38 -4.89 105.19 103.23 3hhw n GLY 282 Ca 0.17 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 -7.65 0.99 3.38 -1.51 -3.45 115.31 107.07 3hhw h LEU 283 Ca -0.05 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 3hhw h LEU 283 Cb 0.44 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.98 3hhw h LEU 283 CO 0.07 0.14 -0.43 -0.55 0.09 0.00 0.00 178.44 177.76 3hhw s SER 284 N -6.02 -0.07 0.00 -0.43 0.15 -0.86 -4.60 113.70 101.88 3hhw s SER 284 Ca 0.01 -0.04 0.05 0.00 0.70 0.00 0.00 55.95 56.67 3hhw s SER 284 Cb 0.10 0.27 0.06 0.00 -1.71 0.00 0.00 66.02 64.74 3hhw s SER 284 CO 0.60 -0.35 0.75 -1.54 1.20 0.00 0.00 173.24 173.90 3hhw n SER 285 N 1.62 1.62 -3.20 5.45 3.41 -1.26 -4.50 113.62 116.76 3hhw n SER 285 Ca -0.21 -1.36 -0.07 0.00 -0.26 0.00 0.00 58.87 56.97 3hhw n SER 285 Cb 0.56 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 3hhw n SER 285 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3hhw s LYS 286 N -0.54 0.81 0.14 4.33 2.20 -1.26 -5.04 119.74 120.38 3hhw s LYS 286 Ca 0.07 -0.69 -0.31 0.00 -0.36 0.00 0.00 55.97 54.68 3hhw s LYS 286 Cb 0.05 -0.27 -0.09 0.00 -1.51 0.00 0.00 37.83 36.01 3hhw s LYS 286 CO 0.07 -1.23 1.43 0.45 -0.36 0.00 0.00 175.35 175.71 3hhw s SER 287 N 1.45 6.76 0.12 1.43 0.15 -1.26 -0.75 113.70 121.61 3hhw s SER 287 Ca 0.19 2.42 0.18 0.00 0.70 0.00 0.00 55.95 59.44 3hhw s SER 287 Cb -0.07 -2.59 0.77 0.00 -1.71 0.00 0.00 66.02 62.43 3hhw s SER 287 CO -0.06 -0.69 1.56 -2.65 1.20 0.00 0.00 173.24 172.61 3hhw n PRO 288 N 3.78 0.09 -0.23 5.44 -0.02 -1.26 -3.12 135.00 139.68 3hhw n PRO 288 Ca 0.11 0.35 0.07 0.00 -2.02 0.00 0.00 63.50 62.00 3hhw n PRO 288 Cb 0.41 -1.68 0.19 0.00 -0.02 0.00 0.00 33.50 32.40 3hhw n PRO 288 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hhw n TYR 289 N -1.85 0.59 -2.45 6.00 4.01 -1.26 -4.63 117.16 117.57 3hhw n TYR 289 Ca 0.03 -0.54 -0.41 0.00 -0.16 0.00 0.00 57.90 56.81 3hhw n TYR 289 Cb 0.19 -0.06 -0.04 0.00 -0.31 0.00 0.00 39.34 39.12 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 -1.21 3.51 0.29 -0.72 0.51 -1.18 -0.91 118.94 119.23 3hhw s TRP 290 Ca 0.28 1.51 0.04 0.00 -2.12 0.00 0.00 56.10 55.81 3hhw s TRP 290 Cb 0.16 -3.35 0.68 0.00 -0.81 0.00 0.00 33.47 30.15 3hhw s TRP 290 CO 0.17 -0.91 1.77 0.77 -0.51 0.00 0.00 176.95 178.24 3hhw h SER 291 N 5.25 0.69 0.15 2.95 0.02 -1.89 -0.48 113.55 120.23 3hhw h SER 291 Ca -0.44 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 3hhw h SER 291 Cb 1.21 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 3hhw h SER 291 CO 0.74 0.25 -0.04 0.58 -1.14 0.00 0.00 176.83 177.22 3hhw h VAL 292 N 0.71 0.42 -0.00 2.27 2.07 -1.96 -0.32 116.25 119.44 3hhw h VAL 292 Ca 0.55 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.89 3hhw h VAL 292 Cb 0.84 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3hhw h VAL 292 CO -0.39 0.03 -0.55 0.29 0.02 0.00 0.00 177.57 176.98 3hhw n LYS 293 N -3.61 0.28 -3.10 1.57 4.76 -0.22 -4.26 118.16 113.58 3hhw n LYS 293 Ca -0.03 -0.18 -0.23 0.00 -2.87 0.00 0.00 58.31 55.00 3hhw n LYS 293 Cb 0.13 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.79 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 -1.20 2.64 -0.03 4.39 3.02 -0.15 -4.98 115.26 118.95 3hhw n ASN 294 Ca 0.07 -3.32 -0.12 0.00 -0.03 0.00 0.00 54.58 51.18 3hhw n ASN 294 Cb 0.35 -0.60 -0.07 0.00 -0.61 0.00 0.00 39.78 38.85 3hhw n ASN 294 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3hhw h PRO 295 N 3.18 0.19 -0.50 3.52 0.11 -1.68 -1.50 132.00 135.32 3hhw h PRO 295 Ca 0.12 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.19 3hhw h PRO 295 Cb 0.73 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.79 3hhw h PRO 295 CO 0.67 0.40 0.31 0.00 -0.21 0.00 0.00 178.00 179.17 3hhw h ALA 296 N 0.78 0.63 -0.38 -0.75 0.00 -1.90 -1.79 119.26 115.86 3hhw h ALA 296 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3hhw h ALA 296 Cb 0.30 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3hhw h ALA 296 CO 0.00 0.03 0.15 0.35 0.00 0.00 0.00 179.25 179.79 3hhw h PHE 297 N 0.63 0.57 0.05 0.00 3.57 -1.85 -1.35 116.94 118.57 3hhw h PHE 297 Ca 0.19 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.67 3hhw h PHE 297 Cb -0.03 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 3hhw h PHE 297 CO -0.05 0.51 -0.16 1.25 -2.23 0.00 0.00 178.31 177.63 3hhw h HIS 298 N 0.47 -0.42 -0.02 0.41 2.76 -1.04 0.42 115.15 117.72 3hhw h HIS 298 Ca 0.13 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.32 3hhw h HIS 298 Cb 0.18 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 3hhw h HIS 298 CO -0.00 -0.24 -0.04 0.35 -1.30 0.00 0.00 177.93 176.70 3hhw h PHE 299 N -0.30 -0.10 -0.71 5.26 3.57 -1.27 -0.45 116.94 122.95 3hhw h PHE 299 Ca 0.04 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 3hhw h PHE 299 Cb 0.34 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 3hhw h PHE 299 CO -0.19 -0.07 0.37 2.35 -2.23 0.00 0.00 178.31 178.54 3hhw h TRP 300 N -0.06 1.00 0.44 0.41 7.01 -1.06 -1.41 115.95 122.28 3hhw h TRP 300 Ca 0.03 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 3hhw h TRP 300 Cb 0.10 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 26.85 3hhw h TRP 300 CO -0.13 0.72 -0.21 0.78 -2.79 0.00 0.00 178.44 176.81 3hhw h GLY 301 N 0.98 -0.62 1.15 2.65 0.00 0.10 -2.60 103.07 104.73 3hhw h GLY 301 Ca 0.25 0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.74 3hhw h GLY 301 CO -0.04 -0.23 0.13 1.46 0.00 0.00 0.00 176.54 177.87 3hhw h GLN 302 N -0.81 1.05 -0.59 4.80 1.08 -1.10 -2.11 115.11 117.43 3hhw h GLN 302 Ca -0.06 -0.26 -0.00 0.00 -1.45 0.00 0.00 58.65 56.88 3hhw h GLN 302 Cb 0.55 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.82 3hhw h GLN 302 CO 0.10 0.95 0.35 1.25 -0.95 0.00 0.00 178.83 180.53 3hhw h LEU 303 N 0.99 0.71 -0.01 1.46 5.85 -1.30 0.26 115.31 123.27 3hhw h LEU 303 Ca 0.20 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 3hhw h LEU 303 Cb 0.39 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 3hhw h LEU 303 CO 0.01 0.56 0.00 0.74 -0.34 0.00 0.00 178.44 179.41 3hhw h THR 304 N 0.80 1.11 -0.58 1.05 2.02 -1.25 -2.41 112.91 113.64 3hhw h THR 304 Ca 0.21 -0.33 0.09 0.00 0.77 0.00 0.00 66.41 67.15 3hhw h THR 304 Cb -0.02 1.32 -0.07 0.00 -1.74 0.00 0.00 68.15 67.64 3hhw h THR 304 CO -0.04 0.09 0.20 0.00 0.37 0.00 0.00 175.52 176.14 3hhw h ALA 305 N 0.86 0.73 -0.33 6.16 0.00 -1.22 -1.99 119.26 123.49 3hhw h ALA 305 Ca 0.00 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3hhw h ALA 305 Cb 0.14 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3hhw h ALA 305 CO -0.00 -0.21 -0.00 1.25 0.00 0.00 0.00 179.25 180.29 3hhw h LEU 306 N 0.38 -0.14 -1.36 0.00 5.85 -0.76 0.20 115.31 119.47 3hhw h LEU 306 Ca 0.29 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.09 3hhw h LEU 306 Cb 0.36 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3hhw h LEU 306 CO -0.30 -0.03 0.00 -0.07 -0.34 0.00 0.00 178.44 177.69 3hhw h LEU 307 N 0.09 0.00 -3.58 2.25 3.38 -0.93 -1.25 115.31 115.27 3hhw h LEU 307 Ca 0.16 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 3hhw h LEU 307 Cb 0.22 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 3hhw h LEU 307 CO -0.27 0.00 0.10 0.18 0.09 0.00 0.00 178.44 178.54 3hhw n LEU 308 N -2.57 5.82 0.00 1.67 4.32 -0.03 -4.88 117.00 121.33 3hhw n LEU 308 Ca 0.00 -2.98 0.00 0.00 -0.02 0.00 0.00 56.01 53.01 3hhw n LEU 308 Cb 0.18 -0.71 0.00 0.00 -1.62 0.00 0.00 43.42 41.28 3hhw n LEU 308 CO 0.19 0.68 0.00 0.54 -1.22 0.00 0.00 177.39 177.59 3hhw n ARG 309 N 0.36 0.00 -2.09 3.23 3.00 -0.47 -5.01 116.66 115.67 3hhw n ARG 309 Ca 0.32 0.41 -0.42 0.00 -0.01 0.00 0.00 57.85 58.14 3hhw n ARG 309 Cb 1.26 -3.85 -0.03 0.00 0.00 0.00 0.00 32.46 29.84 3hhw n ARG 309 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3hhw s SER 310 N -2.98 6.74 0.39 0.55 0.15 -0.69 -4.92 113.70 112.94 3hhw s SER 310 Ca 0.00 2.30 0.27 0.00 0.70 0.00 0.00 55.95 59.22 3hhw s SER 310 Cb 0.00 -2.57 0.90 0.00 -1.71 0.00 0.00 66.02 62.65 3hhw s SER 310 CO 0.00 -0.78 1.79 0.71 1.20 0.00 0.00 173.24 176.16 3hhw h THR 311 N 4.74 0.00 0.03 6.45 1.35 -1.95 -3.30 112.91 120.24 3hhw h THR 311 Ca -0.40 -0.57 -0.34 0.00 -0.55 0.00 0.00 66.41 64.55 3hhw h THR 311 Cb 1.19 1.51 -0.05 0.00 -1.73 0.00 0.00 68.15 69.07 3hhw h THR 311 CO 0.91 0.00 -2.03 0.54 -0.25 0.00 0.00 175.52 174.69 3hhw n ARG 312 N -2.74 0.68 0.26 4.72 1.74 -1.26 -4.48 116.66 115.57 3hhw n ARG 312 Ca 0.03 0.20 0.13 0.00 -0.77 0.00 0.00 57.85 57.44 3hhw n ARG 312 Cb 0.37 -1.68 0.66 0.00 -1.02 0.00 0.00 32.46 30.79 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 0.67 1.12 -0.62 7.54 0.00 -1.89 -3.21 119.26 122.87 3hhw h ALA 313 Ca -0.42 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 54.50 3hhw h ALA 313 Cb 2.06 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.72 3hhw h ALA 313 CO 0.05 0.17 -0.04 0.00 0.00 0.00 0.00 179.25 179.42 3hhw h ARG 314 N 0.00 0.08 -0.68 0.00 3.08 -1.79 -2.68 114.38 112.39 3hhw h ARG 314 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3hhw h ARG 314 Cb 0.49 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3hhw h ARG 314 CO 0.02 0.05 0.00 0.09 -1.07 0.00 0.00 179.97 179.06 3hhw n ASN 315 N -5.33 4.26 -4.75 7.04 4.13 -1.21 -2.40 115.26 117.00 3hhw n ASN 315 Ca 0.09 -2.25 -0.41 0.00 1.68 0.00 0.00 54.58 53.69 3hhw n ASN 315 Cb 0.35 -0.53 -0.04 0.00 -1.54 0.00 0.00 39.78 38.02 3hhw n ASN 315 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hhw s ALA 316 N -1.52 3.40 0.58 5.41 0.00 -1.01 -4.91 121.76 123.71 3hhw s ALA 316 Ca 0.48 0.89 -0.14 0.00 0.00 0.00 0.00 51.96 53.19 3hhw s ALA 316 Cb 0.29 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.01 3hhw s ALA 316 CO 0.27 -0.22 1.02 -0.98 0.00 0.00 0.00 175.76 175.85 3hhw s ARG 317 N -0.95 3.64 -0.30 0.00 3.03 -1.26 -0.35 118.95 122.76 3hhw s ARG 317 Ca 0.47 0.92 -0.15 0.00 2.03 0.00 0.00 55.73 59.00 3hhw s ARG 317 Cb -0.31 -2.09 -0.03 0.00 -1.03 0.00 0.00 34.95 31.49 3hhw s ARG 317 CO 0.39 -0.53 0.38 -1.14 -1.13 0.00 0.00 175.30 173.26 3hhw s GLN 318 N -4.56 3.83 0.90 3.89 0.74 -0.13 -4.49 119.66 119.85 3hhw s GLN 318 Ca 0.58 -0.14 -0.11 0.00 0.05 0.00 0.00 55.36 55.75 3hhw s GLN 318 Cb -0.11 -3.72 0.13 0.00 1.10 0.00 0.00 33.01 30.41 3hhw s GLN 318 CO 0.42 -0.39 1.11 -2.14 -0.55 0.00 0.00 175.29 173.74 3hhw s PRO 319 N 2.08 1.17 0.34 1.67 0.02 -1.26 -4.94 135.00 134.08 3hhw s PRO 319 Ca 0.14 1.24 0.03 0.00 0.02 0.00 0.00 61.00 62.43 3hhw s PRO 319 Cb -0.16 -1.77 -0.02 0.00 0.02 0.00 0.00 34.50 32.57 3hhw s PRO 319 CO 0.11 -2.42 0.50 -0.51 -0.33 0.00 0.00 177.00 174.35 3hhw s ASP 320 N -2.98 6.11 -1.20 2.53 1.01 -1.26 -4.77 116.67 116.11 3hhw s ASP 320 Ca 0.65 0.14 -0.04 0.00 0.71 0.00 0.00 52.55 54.01 3hhw s ASP 320 Cb -0.21 -1.66 0.00 0.00 1.01 0.00 0.00 42.92 42.07 3hhw s ASP 320 CO 0.58 -0.36 1.03 0.47 0.21 0.00 0.00 175.17 177.10 3hhw n ASP 321 N -1.71 -4.20 -4.24 0.27 8.00 -1.26 -5.02 116.55 108.39 3hhw n ASP 321 Ca -0.03 -0.54 -0.14 0.00 0.71 0.00 0.00 54.79 54.79 3hhw n ASP 321 Cb 0.57 -4.78 -0.10 0.00 -0.02 0.00 0.00 41.12 36.79 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 -3.32 0.70 -1.44 0.53 -4.36 -1.26 -5.03 121.20 107.02 3hhw s ILE 322 Ca 0.29 -1.98 -0.14 0.00 -0.26 0.00 0.00 60.65 58.56 3hhw s ILE 322 Cb -0.13 -2.13 0.05 0.00 1.25 0.00 0.00 42.46 41.51 3hhw s ILE 322 CO 0.68 -0.47 2.19 -0.62 0.24 0.00 0.00 174.94 176.96 3hhw n GLU 323 N -0.25 2.92 -0.20 0.37 1.02 -1.26 -4.83 120.64 118.42 3hhw n GLU 323 Ca -0.06 -2.69 -0.07 0.00 -0.02 0.00 0.00 57.16 54.31 3hhw n GLU 323 Cb 0.63 -3.26 -0.02 0.00 -0.02 0.00 0.00 31.44 28.77 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 6.01 -1.15 -0.07 -0.32 0.05 -1.98 -0.61 116.97 118.90 3hhw h TYR 324 Ca 0.55 0.08 0.04 0.00 0.05 0.00 0.00 58.73 59.45 3hhw h TYR 324 Cb 0.64 0.59 -0.05 0.00 1.01 0.00 0.00 36.73 38.92 3hhw h TYR 324 CO 1.44 -0.41 -0.26 1.79 -1.05 0.00 0.00 178.16 179.68 3hhw h THR 325 N -0.21 0.40 -0.29 -2.88 1.35 -2.01 -0.87 112.91 108.41 3hhw h THR 325 Ca 0.20 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 66.01 3hhw h THR 325 Cb 0.56 0.40 -0.02 0.00 -1.73 0.00 0.00 68.15 67.37 3hhw h THR 325 CO -0.68 0.00 -0.01 -1.28 -0.25 0.00 0.00 175.52 173.30 3hhw h SER 326 N -0.36 0.41 0.78 5.36 0.87 -1.86 -2.94 113.55 115.81 3hhw h SER 326 Ca 0.08 -0.07 -0.19 0.00 -1.23 0.00 0.00 61.79 60.38 3hhw h SER 326 Cb 0.48 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 3hhw h SER 326 CO -0.27 0.48 -0.89 -0.07 -0.53 0.00 0.00 176.83 175.54 3hhw h LEU 327 N 0.42 0.09 0.02 2.23 3.38 -0.26 -3.09 115.31 118.11 3hhw h LEU 327 Ca 0.09 -0.08 -0.27 0.00 0.09 0.00 0.00 57.88 57.71 3hhw h LEU 327 Cb 0.29 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 41.03 3hhw h LEU 327 CO 0.01 0.93 -1.14 0.71 0.09 0.00 0.00 178.44 179.04 3hhw h THR 328 N 0.03 1.35 -0.06 0.22 1.35 -1.04 -1.14 112.91 113.63 3hhw h THR 328 Ca -0.03 -2.53 0.04 0.00 -0.55 0.00 0.00 66.41 63.34 3hhw h THR 328 Cb 1.55 2.63 -0.05 0.00 -1.73 0.00 0.00 68.15 70.55 3hhw h THR 328 CO 0.12 0.76 -0.28 0.74 -0.25 0.00 0.00 175.52 176.61 3hhw h THR 329 N 0.24 0.36 0.06 6.82 2.02 -1.62 0.26 112.91 121.06 3hhw h THR 329 Ca -0.14 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.06 3hhw h THR 329 Cb 1.81 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 68.53 3hhw h THR 329 CO 0.21 0.00 -0.41 0.00 0.37 0.00 0.00 175.52 175.69 3hhw h ALA 330 N 0.43 -0.69 -0.86 6.16 0.00 -1.54 -1.60 119.26 121.16 3hhw h ALA 330 Ca 0.08 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.08 3hhw h ALA 330 Cb 0.51 0.70 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 3hhw h ALA 330 CO -0.28 -0.96 0.46 0.78 0.00 0.00 0.00 179.25 179.25 3hhw h GLY 331 N -0.60 1.41 0.87 0.00 0.00 -0.95 -2.16 103.07 101.63 3hhw h GLY 331 Ca 0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 3hhw h GLY 331 CO -0.27 -0.02 0.03 -2.00 0.00 0.00 0.00 176.54 174.27 3hhw h LEU 332 N 0.65 0.08 -0.45 3.11 6.46 -0.05 -0.95 115.31 124.16 3hhw h LEU 332 Ca 0.47 -0.14 0.05 0.00 -0.12 0.00 0.00 57.88 58.13 3hhw h LEU 332 Cb 0.64 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.51 3hhw h LEU 332 CO -0.35 0.20 0.20 0.25 -0.62 0.00 0.00 178.44 178.12 3hhw h LEU 333 N -0.05 0.27 0.52 2.25 5.85 -0.94 0.20 115.31 123.41 3hhw h LEU 333 Ca 0.02 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3hhw h LEU 333 Cb 0.15 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3hhw h LEU 333 CO -0.00 0.19 -0.26 0.22 -0.34 0.00 0.00 178.44 178.25 3hhw h TYR 334 N 0.41 -0.67 -0.92 1.25 3.20 -1.35 -1.44 116.97 117.46 3hhw h TYR 334 Ca 0.20 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.10 3hhw h TYR 334 Cb 0.14 0.22 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 3hhw h TYR 334 CO -0.12 -0.41 0.60 0.00 -1.64 0.00 0.00 178.16 176.58 3hhw h ALA 335 N -0.22 1.22 -0.87 1.82 0.00 -0.87 -1.50 119.26 118.83 3hhw h ALA 335 Ca -0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3hhw h ALA 335 Cb 0.55 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3hhw h ALA 335 CO 0.11 0.45 0.48 -0.92 0.00 0.00 0.00 179.25 179.37 3hhw h TYR 336 N 1.15 1.19 -0.41 0.00 3.20 -0.50 -1.29 116.97 120.30 3hhw h TYR 336 Ca 0.37 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.20 3hhw h TYR 336 Cb 0.02 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 37.89 3hhw h TYR 336 CO -0.01 0.82 0.19 0.00 -1.64 0.00 0.00 178.16 177.52 3hhw h ALA 337 N 1.26 0.53 -0.40 1.82 0.00 -0.25 0.44 119.26 122.67 3hhw h ALA 337 Ca 0.31 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3hhw h ALA 337 Cb 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3hhw h ALA 337 CO -0.05 0.10 0.10 0.28 0.00 0.00 0.00 179.25 179.67 3hhw h VAL 338 N 0.52 1.23 0.00 0.00 2.07 -1.26 -2.78 116.25 116.04 3hhw h VAL 338 Ca 0.14 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 3hhw h VAL 338 Cb 0.13 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3hhw h VAL 338 CO -0.02 0.27 -0.35 1.23 0.02 0.00 0.00 177.57 178.72 3hhw h GLY 339 N 0.51 0.00 0.89 2.17 0.00 -1.06 -3.11 103.07 102.46 3hhw h GLY 339 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3hhw h GLY 339 CO 0.00 0.00 -0.56 1.44 0.00 0.00 0.00 176.54 177.42 3hhw n SER 340 N -3.31 0.56 -3.31 0.19 7.64 0.13 -4.64 113.62 110.88 3hhw n SER 340 Ca 0.01 -0.32 -0.25 0.00 1.01 0.00 0.00 58.87 59.31 3hhw n SER 340 Cb 0.59 0.33 -0.08 0.00 -1.01 0.00 0.00 64.21 64.04 3hhw n SER 340 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3hhw n SER 341 N -1.51 0.27 -4.75 6.43 2.88 -1.05 -5.06 113.62 110.84 3hhw n SER 341 Ca 0.05 -2.64 -0.37 0.00 -1.33 0.00 0.00 58.87 54.58 3hhw n SER 341 Cb 0.34 -0.61 0.04 0.00 -0.75 0.00 0.00 64.21 63.22 3hhw n SER 341 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hhw s ALA 342 N -0.83 2.59 0.00 -1.46 0.00 -1.25 -4.80 121.76 116.01 3hhw s ALA 342 Ca 0.34 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.42 3hhw s ALA 342 Cb 0.11 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3hhw s ALA 342 CO -0.14 -1.26 0.87 -0.25 0.00 0.00 0.00 175.76 174.98 3hhw n ASP 343 N -1.47 0.00 -3.17 0.00 9.92 -1.26 -4.97 116.55 115.60 3hhw n ASP 343 Ca 0.13 0.87 -0.21 0.00 -0.53 0.00 0.00 54.79 55.05 3hhw n ASP 343 Cb 0.48 -0.37 0.02 0.00 -0.64 0.00 0.00 41.12 40.61 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 -1.69 -5.44 -4.22 0.64 7.99 -1.26 -5.06 117.00 107.96 3hhw n LEU 344 Ca 0.00 0.16 -0.16 0.00 -0.01 0.00 0.00 56.01 56.01 3hhw n LEU 344 Cb 0.00 -2.60 -0.11 0.00 -0.11 0.00 0.00 43.42 40.61 3hhw n LEU 344 CO 0.00 -1.23 -0.43 0.00 -1.51 0.00 0.00 177.39 174.22 3hhw s ALA 345 N -2.17 1.37 0.53 -1.18 0.00 -1.26 -5.14 121.76 113.90 3hhw s ALA 345 Ca 0.28 -1.33 -0.21 0.00 0.00 0.00 0.00 51.96 50.71 3hhw s ALA 345 Cb -0.05 -0.00 -0.06 0.00 0.00 0.00 0.00 23.12 23.01 3hhw s ALA 345 CO 0.82 -0.01 1.18 -1.14 0.00 0.00 0.00 175.76 176.61 3hhw s GLN 346 N -3.07 3.37 -0.01 0.00 0.74 -1.26 -4.97 119.66 114.46 3hhw s GLN 346 Ca 0.10 1.78 0.00 0.00 0.05 0.00 0.00 55.36 57.30 3hhw s GLN 346 Cb -0.02 -2.14 -0.01 0.00 1.10 0.00 0.00 33.01 31.94 3hhw s GLN 346 CO 0.01 -0.88 -0.00 1.04 -0.55 0.00 0.00 175.29 174.92 3hhw n GLN 347 N -1.08 2.35 -4.09 1.67 1.13 -1.26 -5.07 117.38 111.02 3hhw n GLN 347 Ca 0.11 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 55.03 3hhw n GLN 347 Cb 0.49 -1.02 -0.11 0.00 0.11 0.00 0.00 30.24 29.71 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 -2.02 0.79 0.31 1.08 0.40 -1.26 -5.17 117.98 112.12 3hhw s PHE 348 Ca -0.01 -0.54 0.00 0.00 -0.60 0.00 0.00 56.93 55.78 3hhw s PHE 348 Cb 0.00 -0.46 -0.01 0.00 0.51 0.00 0.00 43.02 43.06 3hhw s PHE 348 CO 0.03 -0.06 0.37 0.00 0.70 0.00 0.00 175.22 176.25 3hhw n VAL 350 N -0.53 0.00 0.00 0.00 0.31 -1.26 -4.94 118.33 111.91 3hhw n VAL 350 Ca 0.03 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 3hhw n VAL 350 Cb 0.62 1.24 0.00 0.00 -0.91 0.00 0.00 33.84 34.80 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 0.13 2.19 3.60 2.92 0.00 -1.26 -5.08 105.19 107.69 3hhw n GLY 351 Ca 0.00 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 3hhw n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hhw s ASP 352 N -0.15 6.43 0.30 1.61 -0.00 -1.26 -5.02 116.67 118.58 3hhw s ASP 352 Ca 0.00 0.67 0.10 0.00 -0.00 0.00 0.00 52.55 53.32 3hhw s ASP 352 Cb 0.00 -2.54 -0.05 0.00 -0.00 0.00 0.00 42.92 40.32 3hhw s ASP 352 CO 0.00 -1.38 -0.08 0.21 -0.00 0.00 0.00 175.17 173.91 3hhw s ASN 353 N 3.42 3.99 -0.10 0.27 3.84 -1.26 -4.75 114.94 120.35 3hhw s ASN 353 Ca 0.56 -0.96 0.03 0.00 0.21 0.00 0.00 52.86 52.70 3hhw s ASN 353 Cb -0.11 -0.49 0.01 0.00 -0.55 0.00 0.00 41.25 40.10 3hhw s ASN 353 CO 0.32 -0.08 -0.21 -0.75 -2.79 0.00 0.00 177.10 173.59 3hhw s LYS 354 N -3.62 2.74 0.47 0.43 2.36 -1.26 -5.14 119.74 115.72 3hhw s LYS 354 Ca 0.32 -0.77 0.03 0.00 -2.55 0.00 0.00 55.97 53.00 3hhw s LYS 354 Cb -0.03 -2.14 -0.03 0.00 -1.05 0.00 0.00 37.83 34.58 3hhw s LYS 354 CO 0.18 0.09 0.02 0.71 1.55 0.00 0.00 175.35 177.90 3hhw s TYR 355 N 0.56 1.99 -0.42 4.03 1.51 -1.26 -4.92 117.35 118.83 3hhw s TYR 355 Ca -0.15 -0.94 0.03 0.00 -1.01 0.00 0.00 57.07 55.00 3hhw s TYR 355 Cb -0.17 -1.57 0.26 0.00 -0.11 0.00 0.00 41.96 40.38 3hhw s TYR 355 CO 0.05 0.19 1.06 -2.37 -1.11 0.00 0.00 175.55 173.38 3hhw n THR 356 N -1.13 0.00 0.00 -0.71 5.66 -1.26 -5.11 114.28 111.73 3hhw n THR 356 Ca -0.14 -1.15 0.00 0.00 -3.05 0.00 0.00 64.05 59.71 3hhw n THR 356 Cb 0.67 1.32 0.00 0.00 -1.55 0.00 0.00 70.33 70.77 3hhw n THR 356 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3hhw n PRO 357 N 1.42 0.00 -0.05 1.09 -0.04 -1.26 -4.28 135.00 131.87 3hhw n PRO 357 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 3hhw n PRO 357 Cb 0.67 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.13 3hhw n PRO 357 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3hhw n ASP 358 N 0.00 1.67 0.00 3.54 5.75 -1.26 -4.65 116.55 121.60 3hhw n ASP 358 Ca 0.00 -1.11 0.00 0.00 -0.01 0.00 0.00 54.79 53.67 3hhw n ASP 358 Cb 0.00 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 3hhw n ASP 358 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3hhw n ASP 359 N 0.98 0.00 -4.56 -1.12 -0.08 -1.26 -4.73 116.55 105.78 3hhw n ASP 359 Ca 0.00 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.96 3hhw n ASP 359 Cb 0.24 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.66 3hhw n ASP 359 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 3hhw s SER 360 N -1.00 5.35 0.00 1.67 0.01 -1.26 -4.62 113.70 113.84 3hhw s SER 360 Ca 0.00 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.77 3hhw s SER 360 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 3hhw s SER 360 CO 0.00 -2.50 0.00 0.35 0.41 0.00 0.00 173.24 171.50 3hhw n THR 361 N 7.56 0.00 -1.25 1.44 -2.24 -1.26 -5.00 114.28 113.52 3hhw n THR 361 Ca 0.33 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.75 3hhw n THR 361 Cb 0.49 -0.01 -0.04 0.00 -2.10 0.00 0.00 70.33 68.67 3hhw n THR 361 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hhw n GLY 362 N 1.20 4.09 3.44 3.38 0.00 -1.26 -4.86 105.19 111.18 3hhw n GLY 362 Ca 0.00 -1.44 -0.44 0.00 0.00 0.00 0.00 46.02 44.14 3hhw n GLY 362 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hhw s GLY 363 N 2.23 1.95 0.11 -0.02 0.00 -1.26 -4.98 107.32 105.35 3hhw s GLY 363 Ca 0.68 -1.82 -0.21 0.00 0.00 0.00 0.00 44.72 43.37 3hhw s GLY 363 CO -0.05 1.14 1.75 1.41 0.00 0.00 0.00 173.10 177.34 3hhw h LEU 364 N 8.99 0.06 -8.30 0.66 4.07 -2.07 -3.36 115.31 115.37 3hhw h LEU 364 Ca -0.27 0.01 -0.42 0.00 0.08 0.00 0.00 57.88 57.27 3hhw h LEU 364 Cb 1.11 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.80 3hhw h LEU 364 CO 0.85 0.06 1.07 -0.89 -1.08 0.00 0.00 178.44 178.44 3hhw s THR 365 N -6.18 3.52 0.00 0.22 2.01 -1.26 -4.81 115.64 109.13 3hhw s THR 365 Ca -0.13 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.69 3hhw s THR 365 Cb 0.08 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.36 3hhw s THR 365 CO 0.68 -1.17 0.00 0.35 -0.69 0.00 0.00 174.62 173.79 3hhw n THR 366 N 7.39 0.00 0.00 -0.82 -2.24 -1.26 -4.88 114.28 112.47 3hhw n THR 366 Ca 0.30 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 3hhw n THR 366 Cb 0.49 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 3hhw n THR 366 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3hhw n ASN 367 N -0.52 0.00 -4.83 3.42 5.15 -1.26 -4.92 115.26 112.30 3hhw n ASN 367 Ca 0.00 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.64 3hhw n ASN 367 Cb 0.00 -1.01 -0.06 0.00 -0.53 0.00 0.00 39.78 38.17 3hhw n ASN 367 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hhw s ALA 368 N -0.67 3.31 0.88 5.20 0.00 -1.26 -5.07 121.76 124.14 3hhw s ALA 368 Ca 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 51.96 52.03 3hhw s ALA 368 Cb 0.00 -2.87 0.12 0.00 0.00 0.00 0.00 23.12 20.37 3hhw s ALA 368 CO 0.00 0.29 1.12 -2.14 0.00 0.00 0.00 175.76 175.03 3hhw s PRO 369 N -2.57 1.34 0.56 0.00 0.02 -1.26 -4.96 135.00 128.13 3hhw s PRO 369 Ca 0.51 1.31 -0.19 0.00 0.02 0.00 0.00 61.00 62.65 3hhw s PRO 369 Cb -0.13 -1.78 -0.07 0.00 0.02 0.00 0.00 34.50 32.54 3hhw s PRO 369 CO 0.19 -2.33 0.81 -2.30 -0.33 0.00 0.00 177.00 173.04 3hhw n PRO 370 N -4.00 0.81 -0.05 5.54 -0.02 -1.26 -4.91 135.00 131.10 3hhw n PRO 370 Ca 0.10 0.31 -0.05 0.00 -2.02 0.00 0.00 63.50 61.84 3hhw n PRO 370 Cb 0.53 -1.98 0.17 0.00 -0.02 0.00 0.00 33.50 32.20 3hhw n PRO 370 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3hhw h GLN 371 N 0.53 0.66 0.00 -0.52 3.07 -1.98 -3.47 115.11 113.40 3hhw h GLN 371 Ca -0.47 -0.22 0.00 0.00 0.09 0.00 0.00 58.65 58.05 3hhw h GLN 371 Cb 1.37 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.88 3hhw h GLN 371 CO 0.50 0.78 0.00 0.41 0.09 0.00 0.00 178.83 180.61 3hhw n GLY 372 N -0.45 3.71 0.50 0.06 0.00 -1.26 -4.81 105.19 102.94 3hhw n GLY 372 Ca 0.01 -1.81 0.07 0.00 0.00 0.00 0.00 46.02 44.28 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 1.26 -2.24 1.61 1.74 -1.26 -4.85 116.66 112.92 3hhw n ARG 373 Ca 0.00 -2.83 -0.43 0.00 -0.77 0.00 0.00 57.85 53.82 3hhw n ARG 373 Cb 0.00 -1.38 -0.02 0.00 -1.02 0.00 0.00 32.46 30.04 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 -2.89 6.67 0.30 0.55 -1.08 -1.26 -4.92 116.67 114.04 3hhw s ASP 374 Ca 0.34 1.70 -0.01 0.00 -0.52 0.00 0.00 52.55 54.06 3hhw s ASP 374 Cb 0.32 -2.54 0.47 0.00 -1.46 0.00 0.00 42.92 39.72 3hhw s ASP 374 CO -0.04 -1.00 1.97 1.62 0.52 0.00 0.00 175.17 178.24 3hhw h VAL 375 N 5.78 1.19 -0.18 1.11 3.04 -1.95 -2.22 116.25 123.02 3hhw h VAL 375 Ca -0.31 -0.37 -0.13 0.00 -1.01 0.00 0.00 66.70 64.88 3hhw h VAL 375 Cb 1.13 0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.41 3hhw h VAL 375 CO 0.99 0.20 -0.44 -0.37 -1.01 0.00 0.00 177.57 176.93 3hhw h VAL 376 N 1.08 1.31 -0.45 1.51 -1.51 -1.95 0.31 116.25 116.56 3hhw h VAL 376 Ca 0.31 -1.62 -0.04 0.00 -1.23 0.00 0.00 66.70 64.12 3hhw h VAL 376 Cb -0.09 1.66 -0.02 0.00 -2.13 0.00 0.00 31.29 30.72 3hhw h VAL 376 CO -0.07 0.50 0.14 -0.33 -1.23 0.00 0.00 177.57 176.57 3hhw h GLU 377 N 0.35 0.70 -0.19 5.19 5.08 -1.88 -1.99 114.58 121.84 3hhw h GLU 377 Ca 0.03 -0.15 -0.16 0.00 -1.00 0.00 0.00 59.36 58.07 3hhw h GLU 377 Cb 0.92 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3hhw h GLU 377 CO 0.08 0.68 -0.56 -1.49 -1.00 0.00 0.00 179.01 176.72 3hhw h TRP 378 N 0.59 0.73 -0.69 4.33 4.06 -1.00 -0.57 115.95 123.40 3hhw h TRP 378 Ca 0.14 -0.26 -0.03 0.00 2.06 0.00 0.00 58.89 60.80 3hhw h TRP 378 Cb 0.27 -0.14 -0.03 0.00 -1.00 0.00 0.00 29.16 28.27 3hhw h TRP 378 CO 0.01 1.00 0.31 -0.07 -3.56 0.00 0.00 178.44 176.13 3hhw h LEU 379 N 0.44 0.92 -0.57 -4.49 3.38 -0.38 0.15 115.31 114.75 3hhw h LEU 379 Ca 0.01 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3hhw h LEU 379 Cb 1.10 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3hhw h LEU 379 CO 0.11 0.81 0.13 1.23 0.09 0.00 0.00 178.44 180.80 3hhw h GLY 380 N 0.96 1.00 1.39 0.83 0.00 -1.25 -2.62 103.07 103.39 3hhw h GLY 380 Ca 0.23 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 3hhw h GLY 380 CO -0.03 0.59 0.06 -0.25 0.00 0.00 0.00 176.54 176.91 3hhw h TRP 381 N 0.83 0.79 -0.33 5.60 7.01 -0.78 -2.60 115.95 126.46 3hhw h TRP 381 Ca 0.18 -0.09 -0.07 0.00 2.11 0.00 0.00 58.89 61.02 3hhw h TRP 381 Cb 0.36 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 3hhw h TRP 381 CO 0.03 0.70 -0.09 0.35 -2.79 0.00 0.00 178.44 176.64 3hhw h PHE 382 N 0.72 0.59 0.00 2.65 3.57 -0.54 -1.97 116.94 121.96 3hhw h PHE 382 Ca 0.15 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 3hhw h PHE 382 Cb 0.36 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3hhw h PHE 382 CO 0.02 0.63 -0.20 0.93 -2.23 0.00 0.00 178.31 177.46 3hhw h GLU 383 N 0.52 0.00 0.00 1.11 4.39 -1.09 -0.87 114.58 118.63 3hhw h GLU 383 Ca 0.10 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 3hhw h GLU 383 Cb 0.47 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3hhw h GLU 383 CO 0.03 0.20 -0.05 -0.44 -1.16 0.00 0.00 179.01 177.59 3hhw h ASP 384 N 0.00 0.00 -0.86 1.42 3.32 -1.12 -2.91 116.42 116.28 3hhw h ASP 384 Ca -0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3hhw h ASP 384 Cb 0.36 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 39.63 3hhw h ASP 384 CO 0.03 0.05 0.42 0.00 -1.72 0.00 0.00 179.24 178.02 3hhw n GLN 385 N -3.16 2.54 -2.65 3.56 1.13 -0.75 -4.93 117.38 113.12 3hhw n GLN 385 Ca 0.01 -3.31 -0.08 0.00 -1.94 0.00 0.00 57.00 51.67 3hhw n GLN 385 Cb 0.33 -2.18 -0.01 0.00 0.11 0.00 0.00 30.24 28.50 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 -0.99 -2.18 -3.71 1.08 5.03 -1.10 -1.20 115.26 112.18 3hhw n ASN 386 Ca 0.55 0.24 -0.22 0.00 0.87 0.00 0.00 54.58 56.02 3hhw n ASN 386 Cb 1.06 -1.93 0.03 0.00 -1.02 0.00 0.00 39.78 37.91 3hhw n ASN 386 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3hhw n ARG 387 N -2.77 -5.00 -3.67 3.52 1.74 -0.41 -5.00 116.66 105.07 3hhw n ARG 387 Ca -0.04 0.62 -0.14 0.00 -0.77 0.00 0.00 57.85 57.52 3hhw n ARG 387 Cb 0.54 -5.21 -0.13 0.00 -1.02 0.00 0.00 32.46 26.63 3hhw n ARG 387 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3hhw s LYS 388 N -6.02 0.14 0.08 5.56 2.47 -0.34 -5.09 119.74 116.54 3hhw s LYS 388 Ca 0.06 0.71 -0.37 0.00 -1.56 0.00 0.00 55.97 54.81 3hhw s LYS 388 Cb -0.03 -0.07 -0.17 0.00 -1.46 0.00 0.00 37.83 36.10 3hhw s LYS 388 CO 0.81 -0.27 1.26 -2.30 0.16 0.00 0.00 175.35 175.01 3hhw n PRO 389 N 5.23 0.93 -1.73 4.03 -0.02 -1.26 -4.87 135.00 137.31 3hhw n PRO 389 Ca -0.08 0.34 -0.32 0.00 -2.02 0.00 0.00 63.50 61.42 3hhw n PRO 389 Cb 0.50 -1.93 0.04 0.00 -0.02 0.00 0.00 33.50 32.09 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 0.31 3.69 0.33 3.45 -4.23 -1.26 -4.88 115.64 113.04 3hhw s THR 390 Ca 0.84 0.68 0.12 0.00 -1.18 0.00 0.00 61.69 62.15 3hhw s THR 390 Cb -1.00 -3.26 0.32 0.00 1.34 0.00 0.00 72.50 69.90 3hhw s THR 390 CO 0.49 -0.59 1.68 -0.65 -0.54 0.00 0.00 174.62 175.02 3hhw h PRO 391 N -0.21 0.37 0.00 3.99 0.11 -2.00 -1.32 132.00 132.94 3hhw h PRO 391 Ca -0.45 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 3hhw h PRO 391 Cb 1.22 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3hhw h PRO 391 CO 0.56 0.24 -0.56 0.22 -0.21 0.00 0.00 178.00 178.25 3hhw h ASP 392 N 0.38 0.00 -0.39 -2.05 3.58 -1.99 -1.18 116.42 114.77 3hhw h ASP 392 Ca 0.69 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 58.08 3hhw h ASP 392 Cb 1.48 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.52 3hhw h ASP 392 CO -0.58 0.56 0.00 0.24 -2.88 0.00 0.00 179.24 176.58 3hhw h MET 393 N 0.00 0.68 -0.58 0.28 2.86 -1.62 -1.99 114.93 114.56 3hhw h MET 393 Ca -0.01 -0.22 -0.10 0.00 -2.06 0.00 0.00 59.70 57.32 3hhw h MET 393 Cb 1.03 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 3hhw h MET 393 CO 0.07 0.78 -0.03 0.52 1.06 0.00 0.00 176.91 179.31 3hhw h MET 394 N 0.51 1.04 -0.09 1.72 2.86 -1.10 -2.08 114.93 117.79 3hhw h MET 394 Ca 0.11 -0.34 -0.11 0.00 -2.06 0.00 0.00 59.70 57.30 3hhw h MET 394 Cb 0.47 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 3hhw h MET 394 CO 0.02 1.04 -0.42 0.37 1.06 0.00 0.00 176.91 178.98 3hhw h GLN 395 N 0.95 0.21 -0.36 1.72 5.75 -1.24 -0.99 115.11 121.15 3hhw h GLN 395 Ca 0.16 -0.10 -0.05 0.00 -0.15 0.00 0.00 58.65 58.51 3hhw h GLN 395 Cb 0.59 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 3hhw h GLN 395 CO 0.04 0.60 0.03 -0.92 -2.65 0.00 0.00 178.83 175.93 3hhw h TYR 396 N 0.18 0.66 -0.42 3.99 3.20 -1.09 -1.63 116.97 121.86 3hhw h TYR 396 Ca 0.02 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 61.67 3hhw h TYR 396 Cb 0.82 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 3hhw h TYR 396 CO 0.01 0.69 -0.18 0.00 -1.64 0.00 0.00 178.16 177.04 3hhw h ALA 397 N 0.88 0.87 -0.03 1.82 0.00 -1.20 -2.23 119.26 119.38 3hhw h ALA 397 Ca 0.10 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.66 3hhw h ALA 397 Cb 0.41 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hhw h ALA 397 CO 0.01 0.63 -0.02 -0.22 0.00 0.00 0.00 179.25 179.65 3hhw h LYS 398 N 0.72 -0.02 -0.12 0.00 3.64 -1.07 -2.06 116.57 117.66 3hhw h LYS 398 Ca 0.11 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 3hhw h LYS 398 Cb 0.70 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3hhw h LYS 398 CO 0.05 -0.02 0.10 0.00 -2.27 0.00 0.00 179.45 177.32 3hhw h ARG 399 N -0.02 0.00 0.00 1.90 3.08 -1.13 -0.57 114.38 117.63 3hhw h ARG 399 Ca 0.02 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 3hhw h ARG 399 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3hhw h ARG 399 CO -0.05 0.00 -0.35 0.00 -1.07 0.00 0.00 179.97 178.50 3hhw h ALA 400 N 1.92 0.80 0.00 0.04 0.00 -0.76 -3.37 119.26 117.89 3hhw h ALA 400 Ca 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hhw h ALA 400 Cb 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hhw h ALA 400 CO -0.00 0.44 -1.02 1.33 0.00 0.00 0.00 179.25 180.00 3hhw n VAL 401 N -3.24 0.00 0.23 0.00 0.24 -0.85 -4.78 118.33 109.93 3hhw n VAL 401 Ca 0.02 -0.16 0.07 0.00 -2.04 0.00 0.00 64.34 62.23 3hhw n VAL 401 Cb 0.64 0.51 0.53 0.00 -1.47 0.00 0.00 33.84 34.05 3hhw n VAL 401 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hhw h MET 402 N 0.00 0.00 -0.00 7.34 -0.00 -1.29 -2.31 114.93 118.66 3hhw h MET 402 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3hhw h MET 402 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.79 3hhw h MET 402 CO 0.00 0.22 -0.26 0.43 -0.00 0.00 0.00 176.91 177.30 3hhw n SER 403 N -4.01 0.39 -4.68 -0.10 7.64 -1.26 -4.94 113.62 106.66 3hhw n SER 403 Ca -0.02 -0.15 -0.44 0.00 1.01 0.00 0.00 58.87 59.27 3hhw n SER 403 Cb 0.29 -0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.43 3hhw n SER 403 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3hhw n LEU 404 N -1.32 3.31 -4.30 -3.43 4.77 -0.87 -5.00 117.00 110.16 3hhw n LEU 404 Ca 0.08 1.15 -0.29 0.00 -0.03 0.00 0.00 56.01 56.92 3hhw n LEU 404 Cb 0.33 -1.45 -0.15 0.00 -2.33 0.00 0.00 43.42 39.81 3hhw n LEU 404 CO 0.30 -0.40 -0.56 -1.10 -1.33 0.00 0.00 177.39 174.30 3hhw s GLN 405 N -0.49 1.83 -1.12 3.23 -1.52 -1.26 -4.89 119.66 115.44 3hhw s GLN 405 Ca 0.67 -0.97 -0.12 0.00 -1.95 0.00 0.00 55.36 53.00 3hhw s GLN 405 Cb -0.62 -1.88 -0.03 0.00 -0.22 0.00 0.00 33.01 30.26 3hhw s GLN 405 CO 0.50 0.50 0.84 0.41 -0.25 0.00 0.00 175.29 177.29 3hhw n GLY 406 N 2.14 -0.97 3.71 3.09 0.00 -1.26 -4.95 105.19 106.95 3hhw n GLY 406 Ca -0.16 0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 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 -6.04 4.33 0.21 0.99 1.43 -1.26 -5.04 118.68 113.29 3hhw s LEU 407 Ca 0.40 1.48 -0.29 0.00 -1.03 0.00 0.00 54.13 54.69 3hhw s LEU 407 Cb -0.10 -3.41 -0.08 0.00 0.03 0.00 0.00 46.19 42.63 3hhw s LEU 407 CO 0.80 -0.25 0.91 -0.13 0.23 0.00 0.00 176.35 177.92 3hhw s ARG 408 N 1.12 4.78 0.65 1.70 0.52 -1.26 -4.96 118.95 121.50 3hhw s ARG 408 Ca 0.47 1.42 -0.17 0.00 -0.52 0.00 0.00 55.73 56.93 3hhw s ARG 408 Cb -0.20 -3.29 -0.00 0.00 0.52 0.00 0.00 34.95 31.98 3hhw s ARG 408 CO 0.23 0.48 1.19 -1.83 0.02 0.00 0.00 175.30 175.40 3hhw s GLU 409 N -0.99 2.63 -1.51 3.54 1.03 -1.26 -3.41 118.70 118.74 3hhw s GLU 409 Ca 0.41 1.74 0.00 0.00 0.03 0.00 0.00 54.97 57.15 3hhw s GLU 409 Cb -0.25 -1.90 0.00 0.00 -0.80 0.00 0.00 34.13 31.18 3hhw s GLU 409 CO 0.31 -1.45 0.00 1.63 -1.33 0.00 0.00 175.26 174.41 3hhw n LYS 410 N -2.14 -1.34 -3.83 -4.83 4.76 -1.26 -5.01 118.16 104.52 3hhw n LYS 410 Ca 0.13 0.86 -0.21 0.00 -2.87 0.00 0.00 58.31 56.22 3hhw n LYS 410 Cb 0.50 -5.28 -0.04 0.00 -1.84 0.00 0.00 35.03 28.37 3hhw n LYS 410 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3hhw s THR 411 N -2.82 3.36 0.07 -0.18 -4.23 -1.22 -0.96 115.64 109.67 3hhw s THR 411 Ca 0.00 -1.42 0.27 0.00 -1.18 0.00 0.00 61.69 59.36 3hhw s THR 411 Cb 0.00 -3.13 0.29 0.00 1.34 0.00 0.00 72.50 71.00 3hhw s THR 411 CO 0.00 -0.16 1.86 0.16 -0.54 0.00 0.00 174.62 175.94 3hhw h ILE 412 N 1.27 0.33 0.08 2.99 -0.00 -0.88 -2.57 117.51 118.74 3hhw h ILE 412 Ca -0.44 -0.92 -0.00 0.00 -0.00 0.00 0.00 64.86 63.49 3hhw h ILE 412 Cb 1.25 1.71 0.00 0.00 -0.00 0.00 0.00 36.82 39.78 3hhw h ILE 412 CO 0.59 0.13 -0.04 1.23 -0.00 0.00 0.00 178.15 180.06 3hhw h GLY 413 N 2.24 -0.12 2.00 0.16 0.00 -1.65 -1.03 103.07 104.67 3hhw h GLY 413 Ca -0.00 0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 3hhw h GLY 413 CO 0.02 -0.04 -0.26 1.70 0.00 0.00 0.00 176.54 177.95 3hhw h LYS 414 N -0.27 0.00 0.05 4.80 3.64 -1.77 -2.54 116.57 120.48 3hhw h LYS 414 Ca -0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3hhw h LYS 414 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3hhw h LYS 414 CO 0.02 0.26 -0.03 -0.92 -2.27 0.00 0.00 179.45 176.51 3hhw h TYR 415 N 0.00 -0.07 0.00 1.91 3.20 -1.24 -2.31 116.97 118.47 3hhw h TYR 415 Ca -0.00 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 3hhw h TYR 415 Cb 0.47 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 3hhw h TYR 415 CO 0.00 0.23 -0.33 0.00 -1.64 0.00 0.00 178.16 176.42 3hhw h ALA 416 N 0.56 1.21 -0.16 1.82 0.00 -1.12 -0.11 119.26 121.45 3hhw h ALA 416 Ca -0.01 -0.30 -0.20 0.00 0.00 0.00 0.00 54.91 54.40 3hhw h ALA 416 Cb 0.33 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.07 3hhw h ALA 416 CO 0.01 0.41 -0.69 -0.22 0.00 0.00 0.00 179.25 178.77 3hhw h LYS 417 N 0.00 0.75 -0.08 0.00 3.64 -1.48 -1.07 116.57 118.34 3hhw h LYS 417 Ca -0.00 -0.59 -0.05 0.00 -1.27 0.00 0.00 60.65 58.74 3hhw h LYS 417 Cb 0.69 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 3hhw h LYS 417 CO 0.04 1.21 -0.16 0.77 -2.27 0.00 0.00 179.45 179.03 3hhw h SER 418 N 0.47 0.12 0.06 4.20 0.02 -1.00 -2.25 113.55 115.17 3hhw h SER 418 Ca -0.04 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.75 3hhw h SER 418 Cb 1.32 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.82 3hhw h SER 418 CO 0.14 0.30 -0.69 -0.08 -1.14 0.00 0.00 176.83 175.36 3hhw h GLU 419 N 0.12 0.12 -0.26 3.45 4.57 -0.96 -3.39 114.58 118.22 3hhw h GLU 419 Ca 0.02 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 3hhw h GLU 419 Cb 0.37 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 3hhw h GLU 419 CO 0.02 1.10 0.00 1.19 -1.18 0.00 0.00 179.01 180.14 3hhw n PHE 420 N -4.33 0.62 -2.91 0.92 3.72 -0.41 -4.58 117.46 110.48 3hhw n PHE 420 Ca -0.18 -0.70 -0.13 0.00 -0.05 0.00 0.00 57.45 56.40 3hhw n PHE 420 Cb 0.68 -0.16 0.03 0.00 -0.94 0.00 0.00 39.48 39.08 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 -0.13 -0.17 0.00 4.37 2.03 -0.84 -3.86 116.55 117.94 3hhw n ASP 421 Ca 0.15 -3.07 0.08 0.00 0.52 0.00 0.00 54.79 52.47 3hhw n ASP 421 Cb 0.64 0.24 0.46 0.00 -0.72 0.00 0.00 41.12 41.73 3hhw n ASP 421 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57