#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hdi s ASN 3 N 0.00 6.12 0.08 4.38 2.47 0.35 -4.85 114.94 123.48 3hdi s ASN 3 Ca 0.00 1.74 0.02 0.00 0.42 0.00 0.00 52.86 55.04 3hdi s ASN 3 Cb 0.00 -2.53 -0.03 0.00 -1.45 0.00 0.00 41.25 37.24 3hdi s ASN 3 CO 0.00 -0.94 -0.08 -0.89 -3.72 0.00 0.00 177.10 171.48 3hdi s THR 4 N -2.47 0.67 -0.21 -5.21 2.01 -1.26 -0.50 115.64 108.67 3hdi s THR 4 Ca 0.62 -1.55 -0.13 0.00 0.31 0.00 0.00 61.69 60.94 3hdi s THR 4 Cb -0.14 -1.20 0.06 0.00 0.01 0.00 0.00 72.50 71.23 3hdi s THR 4 CO 0.33 -0.63 0.53 -0.32 -0.69 0.00 0.00 174.62 173.84 3hdi s MET 5 N -2.77 0.54 -0.23 4.92 1.75 0.90 -4.94 119.30 119.48 3hdi s MET 5 Ca 0.02 0.92 -0.01 0.00 -1.25 0.00 0.00 55.69 55.37 3hdi s MET 5 Cb -0.02 0.10 0.02 0.00 2.84 0.00 0.00 34.83 37.77 3hdi s MET 5 CO -0.02 -0.14 -0.10 0.99 -0.65 0.00 0.00 175.02 175.10 3hdi s THR 6 N 1.23 2.65 1.08 10.11 2.01 -1.26 0.76 115.64 132.21 3hdi s THR 6 Ca -0.08 -0.99 -0.18 0.00 0.31 0.00 0.00 61.69 60.76 3hdi s THR 6 Cb -0.06 -2.29 0.25 0.00 0.01 0.00 0.00 72.50 70.41 3hdi s THR 6 CO -0.12 0.30 1.27 -0.76 -0.69 0.00 0.00 174.62 174.63 3hdi s LEU 7 N 1.31 2.01 0.43 4.42 1.43 0.48 -4.95 118.68 123.82 3hdi s LEU 7 Ca 0.01 0.28 0.23 0.00 -1.03 0.00 0.00 54.13 53.63 3hdi s LEU 7 Cb -0.16 -2.13 0.76 0.00 0.03 0.00 0.00 46.19 44.70 3hdi s LEU 7 CO -0.07 -3.38 1.76 0.44 0.23 0.00 0.00 176.35 175.33 3hdi h ASP 8 N -2.08 0.00 0.90 2.29 3.32 -1.97 -2.92 116.42 115.96 3hdi h ASP 8 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3hdi h ASP 8 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3hdi h ASP 8 CO 0.31 0.22 -0.17 -0.46 -1.72 0.00 0.00 179.24 177.42 3hdi n ASN 9 N -3.29 0.25 0.00 6.45 6.94 -1.26 -4.91 115.26 119.43 3hdi n ASN 9 Ca 0.01 0.28 0.00 0.00 -0.02 0.00 0.00 54.58 54.85 3hdi n ASN 9 Cb 0.48 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.61 3hdi n ASN 9 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hdi n GLY 10 N 1.47 2.18 3.64 4.83 0.00 -1.10 -4.09 105.19 112.12 3hdi n GLY 10 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3hdi n GLY 10 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hdi n VAL 11 N -0.42 2.43 -5.25 1.61 0.31 -0.98 -4.56 118.33 111.46 3hdi n VAL 11 Ca 0.00 -0.50 -0.31 0.00 -0.01 0.00 0.00 64.34 63.52 3hdi n VAL 11 Cb 0.00 -1.28 -0.17 0.00 -0.91 0.00 0.00 33.84 31.49 3hdi n VAL 11 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hdi s ARG 12 N -2.03 2.58 -0.27 5.55 0.52 -0.99 -0.39 118.95 123.93 3hdi s ARG 12 Ca 0.62 -0.90 -0.04 0.00 -0.52 0.00 0.00 55.73 54.90 3hdi s ARG 12 Cb -0.55 -2.16 0.02 0.00 0.52 0.00 0.00 34.95 32.77 3hdi s ARG 12 CO 0.58 0.36 -0.01 0.42 0.02 0.00 0.00 175.30 176.67 3hdi s ILE 13 N -0.11 3.29 -0.19 1.52 -1.09 0.23 0.22 121.20 125.07 3hdi s ILE 13 Ca -0.05 -0.91 -0.02 0.00 -2.23 0.00 0.00 60.65 57.43 3hdi s ILE 13 Cb -0.14 -2.69 -0.01 0.00 -1.58 0.00 0.00 42.46 38.04 3hdi s ILE 13 CO 0.04 0.14 -0.08 -0.51 -1.23 0.00 0.00 174.94 173.30 3hdi s ILE 14 N 1.39 3.19 0.18 2.92 2.07 0.60 -0.07 121.20 131.49 3hdi s ILE 14 Ca 0.01 -0.57 0.09 0.00 -1.41 0.00 0.00 60.65 58.77 3hdi s ILE 14 Cb -0.17 -2.41 -0.04 0.00 0.13 0.00 0.00 42.46 39.96 3hdi s ILE 14 CO -0.02 0.46 -0.19 0.42 -1.91 0.00 0.00 174.94 173.71 3hdi s THR 15 N 1.11 1.93 -0.20 4.00 -4.23 0.35 -1.41 115.64 117.20 3hdi s THR 15 Ca 0.01 -2.01 -0.04 0.00 -1.18 0.00 0.00 61.69 58.47 3hdi s THR 15 Cb -0.15 -1.94 0.10 0.00 1.34 0.00 0.00 72.50 71.85 3hdi s THR 15 CO -0.02 -0.34 0.31 -0.70 -0.54 0.00 0.00 174.62 173.34 3hdi s GLU 16 N -2.95 0.25 0.06 3.99 2.12 -0.34 -0.50 118.70 121.33 3hdi s GLU 16 Ca 0.18 0.56 -0.20 0.00 0.36 0.00 0.00 54.97 55.88 3hdi s GLU 16 Cb -0.05 -0.47 -0.06 0.00 0.26 0.00 0.00 34.13 33.81 3hdi s GLU 16 CO 0.08 -0.51 0.59 0.15 -0.54 0.00 0.00 175.26 175.03 3hdi s LYS 17 N 2.46 4.25 -0.16 4.30 1.02 -1.26 -1.48 119.74 128.87 3hdi s LYS 17 Ca 0.06 0.77 -0.03 0.00 0.02 0.00 0.00 55.97 56.79 3hdi s LYS 17 Cb -0.14 -3.26 0.05 0.00 -0.52 0.00 0.00 37.83 33.96 3hdi s LYS 17 CO -0.13 0.57 0.03 -1.64 -0.92 0.00 0.00 175.35 173.27 3hdi s MET 18 N -0.90 0.59 0.16 1.68 -1.94 0.47 -4.84 119.30 114.52 3hdi s MET 18 Ca 0.30 -0.26 0.01 0.00 -1.71 0.00 0.00 55.69 54.03 3hdi s MET 18 Cb -0.19 -1.81 0.00 0.00 2.01 0.00 0.00 34.83 34.84 3hdi s MET 18 CO 0.19 -0.56 1.38 0.77 -0.01 0.00 0.00 175.02 176.79 3hdi h SER 19 N 8.28 0.31 -0.30 3.03 0.02 -1.98 -3.22 113.55 119.69 3hdi h SER 19 Ca -0.17 -0.24 0.09 0.00 -0.84 0.00 0.00 61.79 60.63 3hdi h SER 19 Cb 1.12 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 3hdi h SER 19 CO 0.31 1.03 0.34 0.71 -1.14 0.00 0.00 176.83 178.08 3hdi h THR 20 N 0.14 0.40 -1.10 -2.27 1.35 -1.95 -3.43 112.91 106.06 3hdi h THR 20 Ca -0.05 0.00 -0.46 0.00 -0.55 0.00 0.00 66.41 65.35 3hdi h THR 20 Cb 1.48 0.73 0.02 0.00 -1.73 0.00 0.00 68.15 68.65 3hdi h THR 20 CO 0.13 0.00 -0.18 0.68 -0.25 0.00 0.00 175.52 175.90 3hdi s VAL 21 N -4.61 2.53 0.00 6.82 -7.23 -1.22 -5.02 120.40 111.67 3hdi s VAL 21 Ca -0.04 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 3hdi s VAL 21 Cb 0.15 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.54 3hdi s VAL 21 CO 0.54 0.00 0.28 -1.14 -0.31 0.00 0.00 175.10 174.47 3hdi n ARG 22 N -2.03 -0.40 -2.46 4.82 3.00 -1.26 -4.64 116.66 113.68 3hdi n ARG 22 Ca 0.11 -0.28 -0.13 0.00 -0.00 0.00 0.00 57.85 57.56 3hdi n ARG 22 Cb 0.61 -0.77 0.02 0.00 0.00 0.00 0.00 32.46 32.32 3hdi n ARG 22 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3hdi n SER 23 N -0.02 1.58 -3.63 6.15 3.41 -1.26 -1.08 113.62 118.77 3hdi n SER 23 Ca 0.00 -1.97 -0.04 0.00 -0.26 0.00 0.00 58.87 56.60 3hdi n SER 23 Cb 0.10 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 63.85 3hdi n SER 23 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hdi s VAL 24 N -1.29 -0.11 -0.15 -3.33 0.11 -0.37 -0.98 120.40 114.28 3hdi s VAL 24 Ca 0.26 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.21 3hdi s VAL 24 Cb -0.02 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.78 3hdi s VAL 24 CO 0.17 0.00 0.21 -0.44 -3.33 0.00 0.00 175.10 171.71 3hdi s SER 25 N 1.66 6.39 -0.03 3.54 0.01 0.07 -2.24 113.70 123.09 3hdi s SER 25 Ca -0.09 0.45 0.07 0.00 1.31 0.00 0.00 55.95 57.70 3hdi s SER 25 Cb -0.05 -2.13 -0.02 0.00 0.21 0.00 0.00 66.02 64.04 3hdi s SER 25 CO -0.17 0.24 -0.25 -0.63 0.41 0.00 0.00 173.24 172.83 3hdi s ILE 26 N -0.14 2.07 -0.05 1.44 1.01 0.50 -1.89 121.20 124.13 3hdi s ILE 26 Ca 0.14 -1.09 -0.04 0.00 0.00 0.00 0.00 60.65 59.66 3hdi s ILE 26 Cb -0.12 -1.72 0.02 0.00 0.01 0.00 0.00 42.46 40.64 3hdi s ILE 26 CO 0.03 0.58 0.13 -0.83 0.00 0.00 0.00 174.94 174.85 3hdi s GLY 27 N -0.45 -0.07 -0.40 6.18 0.00 -0.27 -0.92 107.32 111.39 3hdi s GLY 27 Ca 0.05 0.45 -0.02 0.00 0.00 0.00 0.00 44.72 45.20 3hdi s GLY 27 CO 0.01 0.52 0.19 -0.42 0.00 0.00 0.00 173.10 173.40 3hdi s ILE 28 N 0.42 3.20 -0.28 0.90 1.01 0.66 -0.99 121.20 126.12 3hdi s ILE 28 Ca -0.03 -2.10 -0.14 0.00 0.00 0.00 0.00 60.65 58.38 3hdi s ILE 28 Cb -0.04 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 3hdi s ILE 28 CO -0.02 -0.69 0.34 0.26 0.00 0.00 0.00 174.94 174.84 3hdi s TRP 29 N 1.10 3.23 -0.16 3.97 0.52 0.18 -2.18 118.94 125.60 3hdi s TRP 29 Ca 0.09 0.29 -0.04 0.00 0.02 0.00 0.00 56.10 56.46 3hdi s TRP 29 Cb -0.22 -2.56 -0.03 0.00 -1.15 0.00 0.00 33.47 29.51 3hdi s TRP 29 CO -0.05 -0.25 -0.03 0.08 0.02 0.00 0.00 176.95 176.73 3hdi s VAL 30 N 2.02 3.98 0.00 4.03 1.01 -0.67 -0.82 120.40 129.94 3hdi s VAL 30 Ca 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3hdi s VAL 30 Cb -0.16 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.47 3hdi s VAL 30 CO 0.10 0.48 1.13 0.61 0.00 0.00 0.00 175.10 177.43 3hdi n GLY 31 N 3.59 1.66 3.18 4.51 0.00 0.35 -0.58 105.19 117.90 3hdi n GLY 31 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 3hdi n GLY 31 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hdi s THR 32 N 0.65 0.95 0.01 2.61 -1.32 -1.25 -4.62 115.64 112.68 3hdi s THR 32 Ca 0.00 -1.70 -0.01 0.00 -1.21 0.00 0.00 61.69 58.77 3hdi s THR 32 Cb 0.00 -1.43 0.00 0.00 -1.51 0.00 0.00 72.50 69.56 3hdi s THR 32 CO 0.00 -0.59 0.03 0.61 -2.21 0.00 0.00 174.62 172.46 3hdi n GLY 33 N 0.45 1.77 0.34 6.08 0.00 -1.25 -2.18 105.19 110.41 3hdi n GLY 33 Ca -0.15 -1.00 0.17 0.00 0.00 0.00 0.00 46.02 45.04 3hdi n GLY 33 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hdi h SER 34 N 0.08 0.00 -0.15 1.61 4.64 -1.36 -0.25 113.55 118.12 3hdi h SER 34 Ca -0.01 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.16 3hdi h SER 34 Cb 0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 3hdi h SER 34 CO 0.02 0.00 -0.44 -0.09 -0.87 0.00 0.00 176.83 175.45 3hdi h ARG 35 N 0.00 0.70 -0.00 4.77 1.12 -1.13 -3.07 114.38 116.77 3hdi h ARG 35 Ca 0.01 -0.38 0.00 0.00 -1.11 0.00 0.00 59.98 58.50 3hdi h ARG 35 Cb 0.61 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.59 3hdi h ARG 35 CO -0.00 1.00 -0.00 0.66 -3.11 0.00 0.00 179.97 178.51 3hdi n TYR 36 N -4.02 0.00 -2.21 2.20 4.02 -0.11 -4.73 117.16 112.31 3hdi n TYR 36 Ca -0.02 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.60 3hdi n TYR 36 Cb 0.55 -0.04 0.05 0.00 -0.02 0.00 0.00 39.34 39.88 3hdi n TYR 36 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3hdi s GLU 37 N -2.09 2.56 0.12 -0.72 2.02 -1.16 -5.01 118.70 114.42 3hdi s GLU 37 Ca 0.45 -0.03 0.10 0.00 0.02 0.00 0.00 54.97 55.51 3hdi s GLU 37 Cb 0.22 -2.17 -0.04 0.00 0.10 0.00 0.00 34.13 32.24 3hdi s GLU 37 CO 0.38 -1.02 -0.26 -1.54 0.02 0.00 0.00 175.26 172.84 3hdi s SER 38 N -4.41 3.17 0.00 -0.19 1.04 -1.26 -4.90 113.70 107.15 3hdi s SER 38 Ca 0.57 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 56.29 3hdi s SER 38 Cb -0.11 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.80 3hdi s SER 38 CO 0.46 0.17 0.00 0.00 0.98 0.00 0.00 173.24 174.85 3hdi n ALA 39 N 1.05 0.00 -0.19 5.32 0.00 -1.26 0.10 120.51 125.53 3hdi n ALA 39 Ca -0.18 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.33 3hdi n ALA 39 Cb 0.53 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.33 3hdi n ALA 39 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3hdi h GLU 40 N 0.00 0.73 -0.65 0.00 9.09 -2.01 -2.80 114.58 118.93 3hdi h GLU 40 Ca 0.00 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.37 3hdi h GLU 40 Cb 0.00 -0.16 0.00 0.00 -1.65 0.00 0.00 28.75 26.94 3hdi h GLU 40 CO 0.00 0.48 0.00 -0.85 0.05 0.00 0.00 179.01 178.69 3hdi n GLU 41 N -4.48 3.91 -1.69 1.06 0.28 0.28 -4.77 120.64 115.22 3hdi n GLU 41 Ca 0.11 -2.52 -0.42 0.00 -0.16 0.00 0.00 57.16 54.17 3hdi n GLU 41 Cb 0.25 -2.02 -0.03 0.00 1.43 0.00 0.00 31.44 31.07 3hdi n GLU 41 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 3hdi s ASN 42 N -0.70 6.42 0.00 -1.84 3.04 -1.00 -1.35 114.94 119.51 3hdi s ASN 42 Ca 0.44 2.75 0.00 0.00 0.04 0.00 0.00 52.86 56.09 3hdi s ASN 42 Cb 0.32 -2.56 0.00 0.00 -1.54 0.00 0.00 41.25 37.47 3hdi s ASN 42 CO 0.16 -1.03 0.00 0.61 -3.04 0.00 0.00 177.10 173.80 3hdi n GLY 43 N 4.33 0.29 0.38 1.21 0.00 -1.26 -4.36 105.19 105.79 3hdi n GLY 43 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 3hdi n GLY 43 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hdi h ILE 44 N 0.00 1.25 -0.07 -0.61 6.09 -1.52 0.11 117.51 122.76 3hdi h ILE 44 Ca 0.00 -0.47 -0.00 0.00 -1.37 0.00 0.00 64.86 63.02 3hdi h ILE 44 Cb 0.00 -0.23 -0.00 0.00 0.47 0.00 0.00 36.82 37.06 3hdi h ILE 44 CO 0.00 0.25 0.04 0.28 -3.07 0.00 0.00 178.15 175.65 3hdi h SER 45 N 1.36 0.08 0.19 2.19 0.02 -1.90 -0.08 113.55 115.42 3hdi h SER 45 Ca 0.37 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 61.15 3hdi h SER 45 Cb -0.15 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 3hdi h SER 45 CO -0.08 0.11 -0.43 -0.74 -1.14 0.00 0.00 176.83 174.55 3hdi h HIS 46 N 0.05 0.35 -0.27 3.45 -0.00 -1.68 -2.60 115.15 114.45 3hdi h HIS 46 Ca 0.02 -0.10 -0.08 0.00 -0.00 0.00 0.00 60.37 60.22 3hdi h HIS 46 Cb 0.04 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 3hdi h HIS 46 CO -0.06 0.68 -0.12 0.35 -0.00 0.00 0.00 177.93 178.78 3hdi h PHE 47 N 0.25 0.65 -0.94 5.26 -0.00 -0.54 -2.73 116.94 118.88 3hdi h PHE 47 Ca 0.02 -0.16 0.09 0.00 -0.00 0.00 0.00 57.97 57.92 3hdi h PHE 47 Cb 0.86 -0.15 -0.07 0.00 -0.00 0.00 0.00 35.95 36.59 3hdi h PHE 47 CO 0.02 0.81 0.60 1.25 -0.00 0.00 0.00 178.31 180.99 3hdi h LEU 48 N 0.30 0.90 -1.26 0.59 5.85 -0.92 0.17 115.31 120.93 3hdi h LEU 48 Ca 0.06 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3hdi h LEU 48 Cb 0.63 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3hdi h LEU 48 CO 0.04 0.54 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.49 3hdi h GLU 49 N 1.00 0.36 0.05 1.25 4.22 -1.27 -1.62 114.58 118.57 3hdi h GLU 49 Ca 0.43 -0.09 -0.09 0.00 0.08 0.00 0.00 59.36 59.69 3hdi h GLU 49 Cb 0.32 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.53 3hdi h GLU 49 CO -0.18 0.49 -0.37 0.45 -2.18 0.00 0.00 179.01 177.22 3hdi h HIS 50 N 0.34 0.27 -0.06 0.92 3.86 -0.89 -3.29 115.15 116.30 3hdi h HIS 50 Ca 0.07 -0.18 0.02 0.00 -1.16 0.00 0.00 60.37 59.11 3hdi h HIS 50 Cb 0.41 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.87 3hdi h HIS 50 CO 0.01 1.10 0.19 0.52 0.86 0.00 0.00 177.93 180.62 3hdi h MET 51 N -0.64 0.00 0.00 2.45 2.86 -0.54 -1.31 114.93 117.75 3hdi h MET 51 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3hdi h MET 51 Cb 1.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.91 3hdi h MET 51 CO 0.07 0.00 0.00 1.19 1.06 0.00 0.00 176.91 179.23 3hdi n PHE 52 N -3.24 0.00 0.15 -0.22 3.72 -0.63 -2.05 117.46 115.18 3hdi n PHE 52 Ca -0.01 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.43 3hdi n PHE 52 Cb 0.27 -0.42 0.07 0.00 -0.94 0.00 0.00 39.48 38.46 3hdi n PHE 52 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3hdi n PHE 53 N -1.42 0.15 1.01 1.38 3.01 -0.49 -4.61 117.46 116.49 3hdi n PHE 53 Ca 0.05 -0.21 0.13 0.00 1.01 0.00 0.00 57.45 58.42 3hdi n PHE 53 Cb 0.15 -0.01 0.44 0.00 -0.01 0.00 0.00 39.48 40.04 3hdi n PHE 53 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3hdi n LYS 54 N 0.40 0.01 0.00 -1.08 4.76 -0.87 -4.51 118.16 116.86 3hdi n LYS 54 Ca 0.07 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 3hdi n LYS 54 Cb 0.29 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 3hdi n LYS 54 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hdi n GLY 55 N 1.50 4.50 1.83 0.72 0.00 -1.26 -2.87 105.19 109.59 3hdi n GLY 55 Ca 0.06 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 3hdi n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hdi n THR 56 N -1.42 0.00 0.28 2.61 -2.24 0.31 -0.17 114.28 113.65 3hdi n THR 56 Ca 0.00 -1.07 0.18 0.00 -2.27 0.00 0.00 64.05 60.89 3hdi n THR 56 Cb 0.00 -0.19 0.75 0.00 -2.10 0.00 0.00 70.33 68.79 3hdi n THR 56 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3hdi h ASN 57 N 0.36 0.00 0.00 3.42 4.21 -1.82 -3.28 115.58 118.48 3hdi h ASN 57 Ca -0.17 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.34 3hdi h ASN 57 Cb 0.62 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.82 3hdi h ASN 57 CO 0.28 0.01 0.00 0.35 -1.29 0.00 0.00 177.43 176.77 3hdi n THR 58 N -3.11 0.00 -4.13 2.81 -2.24 -1.26 -5.00 114.28 101.35 3hdi n THR 58 Ca 0.00 -0.40 -0.25 0.00 -2.27 0.00 0.00 64.05 61.13 3hdi n THR 58 Cb 0.28 1.02 -0.17 0.00 -2.10 0.00 0.00 70.33 69.36 3hdi n THR 58 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hdi s ARG 59 N -0.73 1.43 0.67 -0.78 0.52 -1.24 -5.10 118.95 113.72 3hdi s ARG 59 Ca 0.00 -0.26 -0.05 0.00 -0.52 0.00 0.00 55.73 54.90 3hdi s ARG 59 Cb 0.00 -1.39 0.06 0.00 0.52 0.00 0.00 34.95 34.13 3hdi s ARG 59 CO 0.00 -0.16 0.97 -1.54 0.02 0.00 0.00 175.30 174.59 3hdi s SER 60 N 1.31 4.90 0.18 0.23 1.04 -1.26 0.11 113.70 120.21 3hdi s SER 60 Ca -0.03 0.35 -0.20 0.00 0.48 0.00 0.00 55.95 56.55 3hdi s SER 60 Cb -0.14 -1.04 0.12 0.00 0.10 0.00 0.00 66.02 65.06 3hdi s SER 60 CO -0.03 -1.51 1.60 0.00 0.98 0.00 0.00 173.24 174.27 3hdi h ALA 61 N -0.47 -0.02 -0.53 5.32 0.00 -1.76 0.42 119.26 122.22 3hdi h ALA 61 Ca -0.44 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 3hdi h ALA 61 Cb 1.31 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 19.79 3hdi h ALA 61 CO 0.58 -0.66 0.20 0.37 0.00 0.00 0.00 179.25 179.75 3hdi h GLN 62 N -0.17 0.76 -0.24 0.00 4.15 -1.88 -2.04 115.11 115.68 3hdi h GLN 62 Ca 0.22 -0.11 -0.12 0.00 0.77 0.00 0.00 58.65 59.41 3hdi h GLN 62 Cb 0.53 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 3hdi h GLN 62 CO -0.62 0.63 -0.35 0.93 -1.93 0.00 0.00 178.83 177.49 3hdi h GLU 63 N 0.75 0.52 -0.01 1.69 5.08 -1.51 0.71 114.58 121.81 3hdi h GLU 63 Ca 0.18 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3hdi h GLU 63 Cb 0.16 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3hdi h GLU 63 CO -0.02 0.80 0.00 0.82 -1.00 0.00 0.00 179.01 179.62 3hdi h ILE 64 N 0.44 1.06 -0.19 3.13 2.04 -0.57 -1.67 117.51 121.74 3hdi h ILE 64 Ca 0.05 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.77 3hdi h ILE 64 Cb 0.82 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 3hdi h ILE 64 CO 0.07 0.04 0.03 0.00 0.00 0.00 0.00 178.15 178.29 3hdi h ALA 65 N 0.93 0.19 -0.92 1.87 0.00 -1.02 -2.63 119.26 117.68 3hdi h ALA 65 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3hdi h ALA 65 Cb 0.07 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3hdi h ALA 65 CO -0.00 -0.40 0.59 0.93 0.00 0.00 0.00 179.25 180.36 3hdi h GLU 66 N 0.10 1.08 0.86 0.00 5.08 -0.74 -2.17 114.58 118.80 3hdi h GLU 66 Ca 0.09 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3hdi h GLU 66 Cb 0.08 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.10 3hdi h GLU 66 CO -0.12 0.72 -0.42 0.35 -1.00 0.00 0.00 179.01 178.54 3hdi h PHE 67 N 1.12 -1.10 -0.03 4.33 3.57 -0.96 -2.11 116.94 121.77 3hdi h PHE 67 Ca 0.38 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.86 3hdi h PHE 67 Cb 0.07 0.36 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 3hdi h PHE 67 CO -0.02 -0.68 0.07 0.74 -2.23 0.00 0.00 178.31 176.20 3hdi h PHE 68 N -1.17 0.00 0.13 0.41 0.04 -1.46 -1.17 116.94 113.73 3hdi h PHE 68 Ca -0.12 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.36 3hdi h PHE 68 Cb 0.90 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.07 3hdi h PHE 68 CO 0.02 0.00 -1.24 -0.44 -0.60 0.00 0.00 178.31 176.05 3hdi h ASP 69 N 0.00 0.68 0.33 2.17 5.19 -1.20 0.33 116.42 123.92 3hdi h ASP 69 Ca 0.01 -0.66 0.00 0.00 -0.62 0.00 0.00 57.03 55.76 3hdi h ASP 69 Cb 0.16 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.45 3hdi h ASP 69 CO -0.00 1.49 0.00 -1.54 -3.12 0.00 0.00 179.24 176.07 3hdi n SER 70 N -3.69 0.00 -0.68 6.45 3.41 -0.45 -2.44 113.62 116.21 3hdi n SER 70 Ca -0.12 0.31 0.04 0.00 -0.26 0.00 0.00 58.87 58.85 3hdi n SER 70 Cb 1.00 -0.40 0.20 0.00 -0.26 0.00 0.00 64.21 64.75 3hdi n SER 70 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3hdi n ILE 71 N -1.40 2.26 0.00 -1.33 -6.64 -1.16 -4.95 119.36 106.14 3hdi n ILE 71 Ca 0.04 -2.98 0.00 0.00 -1.77 0.00 0.00 62.75 58.04 3hdi n ILE 71 Cb 0.12 -0.26 0.00 0.00 -1.44 0.00 0.00 39.64 38.06 3hdi n ILE 71 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3hdi n GLY 72 N -1.14 2.33 1.51 3.28 0.00 -1.02 -4.59 105.19 105.56 3hdi n GLY 72 Ca 0.22 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3hdi n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hdi n GLY 73 N 0.00 0.60 3.32 -0.02 0.00 0.12 -4.94 105.19 104.27 3hdi n GLY 73 Ca 0.00 -0.17 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 3hdi n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hdi n GLN 74 N -2.76 3.48 -3.92 1.61 6.02 -1.26 -4.91 117.38 115.64 3hdi n GLN 74 Ca 0.00 -3.91 -0.14 0.00 -0.01 0.00 0.00 57.00 52.95 3hdi n GLN 74 Cb 0.00 -2.93 -0.15 0.00 1.02 0.00 0.00 30.24 28.18 3hdi n GLN 74 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hdi s VAL 75 N 0.79 0.10 0.17 5.09 0.11 -1.26 0.15 120.40 125.55 3hdi s VAL 75 Ca 0.40 -0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 59.26 3hdi s VAL 75 Cb -0.01 -0.12 0.04 0.00 -1.53 0.00 0.00 36.38 34.76 3hdi s VAL 75 CO -0.00 0.05 0.52 0.21 -3.33 0.00 0.00 175.10 172.55 3hdi s ASN 76 N 0.25 -0.34 0.00 3.54 2.47 -0.20 -4.99 114.94 115.67 3hdi s ASN 76 Ca -0.02 -0.31 0.01 0.00 0.42 0.00 0.00 52.86 52.96 3hdi s ASN 76 Cb -0.04 0.57 -0.00 0.00 -1.45 0.00 0.00 41.25 40.32 3hdi s ASN 76 CO -0.01 -0.99 -0.02 0.00 -3.72 0.00 0.00 177.10 172.35 3hdi s ALA 77 N -3.82 0.19 -0.06 1.71 0.00 -1.26 -1.41 121.76 117.11 3hdi s ALA 77 Ca 0.05 -0.16 -0.10 0.00 0.00 0.00 0.00 51.96 51.76 3hdi s ALA 77 Cb -0.01 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.11 3hdi s ALA 77 CO -0.08 0.02 0.24 -0.59 0.00 0.00 0.00 175.76 175.36 3hdi s PHE 78 N -0.22 -0.18 -0.16 0.00 -0.71 -0.32 -4.98 117.98 111.41 3hdi s PHE 78 Ca -0.01 0.41 -0.02 0.00 -1.04 0.00 0.00 56.93 56.26 3hdi s PHE 78 Cb -0.02 0.06 -0.02 0.00 -1.21 0.00 0.00 43.02 41.83 3hdi s PHE 78 CO -0.00 -0.22 -0.07 0.99 -1.34 0.00 0.00 175.22 174.58 3hdi s THR 79 N -0.51 3.49 0.00 -4.49 2.01 -1.26 0.16 115.64 115.04 3hdi s THR 79 Ca -0.06 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.45 3hdi s THR 79 Cb -0.04 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 69.95 3hdi s THR 79 CO 0.01 0.49 0.00 -0.24 -0.69 0.00 0.00 174.62 174.19 3hdi n SER 80 N 3.79 1.13 0.06 3.53 2.88 0.32 -5.01 113.62 120.31 3hdi n SER 80 Ca -0.18 -0.20 -0.04 0.00 -1.33 0.00 0.00 58.87 57.12 3hdi n SER 80 Cb 0.52 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.90 3hdi n SER 80 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3hdi h LYS 81 N 0.00 0.00 0.00 -1.46 1.57 -1.92 -3.00 116.57 111.75 3hdi h LYS 81 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hdi h LYS 81 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3hdi h LYS 81 CO 0.00 0.69 -0.16 0.39 -0.57 0.00 0.00 179.45 179.81 3hdi n GLU 82 N -3.20 0.99 -3.56 3.15 1.02 -1.26 -0.74 120.64 117.03 3hdi n GLU 82 Ca -0.04 -1.76 -0.06 0.00 -0.02 0.00 0.00 57.16 55.28 3hdi n GLU 82 Cb 0.90 -1.03 -0.02 0.00 -0.02 0.00 0.00 31.44 31.26 3hdi n GLU 82 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 3hdi s TYR 83 N -1.47 -0.23 0.12 -0.32 -0.85 -0.99 -3.76 117.35 109.86 3hdi s TYR 83 Ca 0.15 0.19 0.06 0.00 -0.52 0.00 0.00 57.07 56.95 3hdi s TYR 83 Cb 0.13 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.95 3hdi s TYR 83 CO 0.01 -0.33 -0.15 0.99 -1.52 0.00 0.00 175.55 174.56 3hdi s THR 84 N -2.43 1.38 -0.04 -3.49 2.01 0.25 -0.52 115.64 112.80 3hdi s THR 84 Ca 0.06 -1.73 -0.03 0.00 0.31 0.00 0.00 61.69 60.31 3hdi s THR 84 Cb -0.01 -1.55 0.01 0.00 0.01 0.00 0.00 72.50 70.96 3hdi s THR 84 CO -0.06 -0.39 0.09 0.00 -0.69 0.00 0.00 174.62 173.57 3hdi s TYR 86 N 0.25 1.91 0.11 0.00 2.02 -0.93 -1.17 117.35 119.55 3hdi s TYR 86 Ca -0.02 -1.33 -0.01 0.00 -0.37 0.00 0.00 57.07 55.35 3hdi s TYR 86 Cb -0.03 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 3hdi s TYR 86 CO -0.01 -0.68 0.03 1.52 -1.57 0.00 0.00 175.55 174.84 3hdi s TYR 87 N 1.56 0.80 0.07 2.71 1.13 -0.50 -0.24 117.35 122.87 3hdi s TYR 87 Ca -0.02 -1.18 -0.21 0.00 -1.41 0.00 0.00 57.07 54.25 3hdi s TYR 87 Cb -0.17 -0.47 0.05 0.00 -1.10 0.00 0.00 41.96 40.27 3hdi s TYR 87 CO -0.07 -0.47 0.49 0.00 -2.51 0.00 0.00 175.55 172.99 3hdi s ALA 88 N -3.99 -1.24 -0.10 9.51 0.00 -0.09 -1.04 121.76 124.81 3hdi s ALA 88 Ca 0.20 0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.63 3hdi s ALA 88 Cb 0.07 0.47 0.01 0.00 0.00 0.00 0.00 23.12 23.68 3hdi s ALA 88 CO -0.01 -0.54 -0.18 0.21 0.00 0.00 0.00 175.76 175.24 3hdi s LYS 89 N -2.79 2.41 0.18 0.00 2.20 0.12 -0.37 119.74 121.49 3hdi s LYS 89 Ca -0.03 -0.64 -0.05 0.00 -0.36 0.00 0.00 55.97 54.89 3hdi s LYS 89 Cb -0.00 -1.94 -0.03 0.00 -1.51 0.00 0.00 37.83 34.35 3hdi s LYS 89 CO -0.04 0.03 0.20 0.14 -0.36 0.00 0.00 175.35 175.32 3hdi s VAL 90 N 0.72 0.04 0.24 4.02 -7.23 -0.95 -4.41 120.40 112.82 3hdi s VAL 90 Ca -0.12 -1.75 -0.28 0.00 -1.81 0.00 0.00 61.98 58.02 3hdi s VAL 90 Cb -0.16 -2.20 -0.09 0.00 0.56 0.00 0.00 36.38 34.49 3hdi s VAL 90 CO 0.02 -0.18 0.90 -0.76 -0.31 0.00 0.00 175.10 174.78 3hdi s LEU 91 N -3.07 4.59 0.11 1.32 1.43 -1.26 -1.24 118.68 120.56 3hdi s LEU 91 Ca 0.28 1.86 -0.02 0.00 -1.03 0.00 0.00 54.13 55.22 3hdi s LEU 91 Cb 0.05 -3.61 0.22 0.00 0.03 0.00 0.00 46.19 42.88 3hdi s LEU 91 CO 0.06 0.13 0.59 -0.90 0.23 0.00 0.00 176.35 176.47 3hdi n ASP 92 N 1.35 -0.10 -0.33 2.29 5.68 -0.25 0.07 116.55 125.26 3hdi n ASP 92 Ca -0.02 0.65 0.00 0.00 -0.50 0.00 0.00 54.79 54.92 3hdi n ASP 92 Cb 0.48 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 3hdi n ASP 92 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3hdi n ASP 93 N -4.52 0.42 0.00 -1.12 5.68 -1.26 -2.79 116.55 112.96 3hdi n ASP 93 Ca 0.07 -1.29 0.00 0.00 -0.50 0.00 0.00 54.79 53.08 3hdi n ASP 93 Cb 0.23 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 3hdi n ASP 93 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3hdi n HIS 94 N -0.05 0.00 -0.17 2.11 8.25 0.11 -4.87 115.22 120.60 3hdi n HIS 94 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 3hdi n HIS 94 Cb 0.11 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.29 3hdi n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hdi h ALA 95 N 0.00 0.64 -0.15 -1.41 0.00 -1.54 0.86 119.26 117.67 3hdi h ALA 95 Ca 0.00 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3hdi h ALA 95 Cb 0.37 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 3hdi h ALA 95 CO 0.00 -0.21 -0.35 0.78 0.00 0.00 0.00 179.25 179.47 3hdi h GLY 96 N 0.37 -0.50 0.85 0.00 0.00 -1.90 0.22 103.07 102.11 3hdi h GLY 96 Ca 0.25 0.43 0.04 0.00 0.00 0.00 0.00 47.33 48.05 3hdi h GLY 96 CO -0.25 -0.22 0.52 1.46 0.00 0.00 0.00 176.54 178.05 3hdi h GLN 97 N -0.42 0.97 -0.40 4.80 4.20 -1.78 -0.08 115.11 122.40 3hdi h GLN 97 Ca 0.09 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3hdi h GLN 97 Cb 0.57 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 3hdi h GLN 97 CO -0.38 0.64 0.26 0.00 -0.67 0.00 0.00 178.83 178.69 3hdi h ALA 98 N 1.35 0.51 -0.74 3.87 0.00 0.24 -0.19 119.26 124.29 3hdi h ALA 98 Ca 0.33 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3hdi h ALA 98 Cb 0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3hdi h ALA 98 CO -0.12 -0.03 0.44 0.97 0.00 0.00 0.00 179.25 180.50 3hdi h ILE 99 N 0.54 1.22 -0.72 0.00 6.09 0.04 0.19 117.51 124.86 3hdi h ILE 99 Ca 0.15 -0.49 -0.02 0.00 -1.37 0.00 0.00 64.86 63.13 3hdi h ILE 99 Cb -0.06 0.19 -0.03 0.00 0.47 0.00 0.00 36.82 37.39 3hdi h ILE 99 CO -0.03 0.23 0.39 0.44 -3.07 0.00 0.00 178.15 176.10 3hdi h ASP 100 N 1.02 0.91 -0.16 2.19 3.32 -0.31 0.50 116.42 123.89 3hdi h ASP 100 Ca 0.27 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 3hdi h ASP 100 Cb -0.02 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.30 3hdi h ASP 100 CO -0.05 0.75 -0.35 0.74 -1.72 0.00 0.00 179.24 178.62 3hdi h THR 101 N 1.00 1.35 -0.64 0.35 2.02 -0.69 -0.13 112.91 116.17 3hdi h THR 101 Ca 0.25 -1.60 -0.06 0.00 0.77 0.00 0.00 66.41 65.77 3hdi h THR 101 Cb 0.05 1.96 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 3hdi h THR 101 CO -0.04 0.48 0.15 -0.07 0.37 0.00 0.00 175.52 176.41 3hdi h LEU 102 N 0.16 0.98 0.59 2.58 3.38 -0.46 -1.96 115.31 120.58 3hdi h LEU 102 Ca 0.00 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 3hdi h LEU 102 Cb 0.95 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.44 3hdi h LEU 102 CO 0.08 0.96 -0.28 -1.28 0.09 0.00 0.00 178.44 178.01 3hdi h SER 103 N 0.95 -0.67 -0.63 -0.43 0.87 0.07 -1.75 113.55 111.96 3hdi h SER 103 Ca 0.20 -0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.91 3hdi h SER 103 Cb 0.37 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 3hdi h SER 103 CO 0.00 -0.43 0.43 -0.78 -0.53 0.00 0.00 176.83 175.53 3hdi h ASP 104 N -0.85 0.17 -0.29 6.23 3.58 -0.95 0.50 116.42 124.81 3hdi h ASP 104 Ca -0.08 0.01 -0.18 0.00 0.42 0.00 0.00 57.03 57.20 3hdi h ASP 104 Cb 0.63 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.65 3hdi h ASP 104 CO 0.13 0.09 -0.51 0.24 -2.88 0.00 0.00 179.24 176.32 3hdi h MET 105 N 0.18 0.88 0.03 0.28 2.86 -1.06 -0.59 114.93 117.51 3hdi h MET 105 Ca 0.30 -0.53 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 3hdi h MET 105 Cb 0.93 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.65 3hdi h MET 105 CO -0.05 1.17 -0.01 0.35 1.06 0.00 0.00 176.91 179.42 3hdi h PHE 106 N 0.68 -0.04 0.00 -0.22 3.57 -0.06 -3.29 116.94 117.59 3hdi h PHE 106 Ca 0.03 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 3hdi h PHE 106 Cb 1.11 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 3hdi h PHE 106 CO 0.07 0.25 -0.41 0.74 -2.23 0.00 0.00 178.31 176.73 3hdi h PHE 107 N -0.32 0.00 -0.59 0.41 -1.00 -1.22 -3.41 116.94 110.81 3hdi h PHE 107 Ca -0.00 0.00 -0.32 0.00 2.81 0.00 0.00 57.97 60.46 3hdi h PHE 107 Cb 0.30 0.00 -0.18 0.00 3.61 0.00 0.00 35.95 39.68 3hdi h PHE 107 CO 0.02 0.49 0.41 0.72 -1.61 0.00 0.00 178.31 178.34 3hdi n HIS 108 N -4.63 1.84 -2.18 -0.55 8.25 -0.23 -4.99 115.22 112.73 3hdi n HIS 108 Ca -0.11 -1.40 -0.37 0.00 -0.26 0.00 0.00 57.72 55.58 3hdi n HIS 108 Cb 0.31 -0.71 -0.00 0.00 1.12 0.00 0.00 29.99 30.71 3hdi n HIS 108 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3hdi s SER 109 N -0.36 6.06 -0.77 0.41 0.01 -1.24 -2.53 113.70 115.29 3hdi s SER 109 Ca 0.34 2.39 -0.04 0.00 1.31 0.00 0.00 55.95 59.95 3hdi s SER 109 Cb 0.29 -2.61 0.19 0.00 0.21 0.00 0.00 66.02 64.10 3hdi s SER 109 CO 0.06 -1.00 0.63 -0.89 0.41 0.00 0.00 173.24 172.45 3hdi s THR 110 N -1.49 4.24 -0.12 1.44 2.01 0.76 -4.85 115.64 117.63 3hdi s THR 110 Ca 0.64 -3.29 -0.02 0.00 0.31 0.00 0.00 61.69 59.34 3hdi s THR 110 Cb -0.31 -3.68 -0.06 0.00 0.01 0.00 0.00 72.50 68.47 3hdi s THR 110 CO 0.37 -0.99 1.37 0.49 -0.69 0.00 0.00 174.62 175.17 3hdi n PHE 111 N 3.05 0.18 -1.60 4.92 3.72 -1.26 -4.79 117.46 121.68 3hdi n PHE 111 Ca 0.14 -0.61 -0.49 0.00 -0.05 0.00 0.00 57.45 56.45 3hdi n PHE 111 Cb 0.39 -0.82 -0.04 0.00 -0.94 0.00 0.00 39.48 38.06 3hdi n PHE 111 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3hdi n GLN 112 N 3.37 1.35 -0.06 -1.08 6.02 -1.26 -4.73 117.38 120.98 3hdi n GLN 112 Ca 0.14 0.48 0.04 0.00 -0.01 0.00 0.00 57.00 57.65 3hdi n GLN 112 Cb 0.19 -2.05 0.39 0.00 1.02 0.00 0.00 30.24 29.80 3hdi n GLN 112 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 3hdi h LYS 113 N 3.86 0.62 0.40 -1.09 3.64 -1.98 0.86 116.57 122.90 3hdi h LYS 113 Ca -0.44 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 3hdi h LYS 113 Cb 1.33 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 3hdi h LYS 113 CO 0.73 0.41 -0.28 0.93 -2.27 0.00 0.00 179.45 178.98 3hdi h GLU 114 N 0.64 -0.64 -0.20 1.90 3.07 -1.99 0.49 114.58 117.86 3hdi h GLU 114 Ca 0.20 0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 59.02 3hdi h GLU 114 Cb 0.00 0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 3hdi h GLU 114 CO -0.05 -0.42 -0.23 0.93 -1.40 0.00 0.00 179.01 177.84 3hdi h GLU 115 N -0.66 0.37 -0.09 2.33 4.39 -1.80 -2.86 114.58 116.26 3hdi h GLU 115 Ca -0.04 -0.12 -0.20 0.00 0.34 0.00 0.00 59.36 59.34 3hdi h GLU 115 Cb 0.56 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3hdi h GLU 115 CO 0.02 0.58 -0.77 1.25 -1.16 0.00 0.00 179.01 178.94 3hdi h LEU 116 N 0.33 0.61 -1.01 1.33 6.46 -0.64 0.56 115.31 122.95 3hdi h LEU 116 Ca 0.05 -0.41 -0.07 0.00 -0.12 0.00 0.00 57.88 57.34 3hdi h LEU 116 Cb 0.59 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 3hdi h LEU 116 CO 0.04 1.17 -0.05 -0.33 -0.62 0.00 0.00 178.44 178.65 3hdi h GLU 117 N 0.34 0.65 0.70 1.25 4.39 -0.86 -1.42 114.58 119.63 3hdi h GLU 117 Ca -0.04 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.45 3hdi h GLU 117 Cb 1.36 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.94 3hdi h GLU 117 CO 0.14 0.71 -0.34 -0.22 -1.16 0.00 0.00 179.01 178.14 3hdi h LYS 118 N 0.61 -0.91 -0.45 2.33 3.64 -1.36 -3.21 116.57 117.23 3hdi h LYS 118 Ca 0.12 0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.66 3hdi h LYS 118 Cb 0.46 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 3hdi h LYS 118 CO 0.02 -0.61 0.31 1.49 -2.27 0.00 0.00 179.45 178.40 3hdi h GLU 119 N -1.25 0.15 -0.66 1.90 4.57 -0.79 -0.49 114.58 118.01 3hdi h GLU 119 Ca -0.10 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.13 3hdi h GLU 119 Cb 0.72 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.24 3hdi h GLU 119 CO 0.16 0.10 0.43 -0.09 -1.18 0.00 0.00 179.01 178.43 3hdi h ARG 120 N 0.15 0.68 -0.34 1.92 2.43 -1.26 -1.72 114.38 116.24 3hdi h ARG 120 Ca 0.21 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.23 3hdi h ARG 120 Cb 0.63 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 3hdi h ARG 120 CO -0.03 0.45 -0.22 0.87 -1.51 0.00 0.00 179.97 179.53 3hdi h LYS 121 N 0.70 0.76 -0.31 0.20 1.57 -1.12 -1.89 116.57 116.48 3hdi h LYS 121 Ca 0.28 -0.35 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3hdi h LYS 121 Cb 0.21 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 3hdi h LYS 121 CO -0.08 0.97 0.19 0.28 -0.57 0.00 0.00 179.45 180.23 3hdi h VAL 122 N 0.53 1.05 -0.22 0.50 2.07 -1.37 -1.05 116.25 117.76 3hdi h VAL 122 Ca 0.07 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 3hdi h VAL 122 Cb 0.77 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3hdi h VAL 122 CO 0.06 0.07 0.01 0.58 0.02 0.00 0.00 177.57 178.31 3hdi h VAL 123 N 0.39 1.13 -0.09 2.57 2.07 -1.27 0.11 116.25 121.16 3hdi h VAL 123 Ca 0.12 -0.51 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 3hdi h VAL 123 Cb -0.01 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3hdi h VAL 123 CO -0.05 0.17 -0.35 -0.26 0.02 0.00 0.00 177.57 177.10 3hdi h PHE 124 N 0.31 0.21 -0.08 1.57 0.05 -0.47 -1.02 116.94 117.52 3hdi h PHE 124 Ca 0.07 -0.05 -0.06 0.00 3.82 0.00 0.00 57.97 61.75 3hdi h PHE 124 Cb 0.20 -0.05 0.00 0.00 2.00 0.00 0.00 35.95 38.10 3hdi h PHE 124 CO 0.00 0.52 -0.19 0.93 -0.18 0.00 0.00 178.31 179.39 3hdi h GLU 125 N 0.16 0.27 -0.74 1.51 4.39 0.17 -2.72 114.58 117.63 3hdi h GLU 125 Ca 0.02 -0.19 0.16 0.00 0.34 0.00 0.00 59.36 59.69 3hdi h GLU 125 Cb 0.70 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 29.27 3hdi h GLU 125 CO 0.05 0.79 0.20 1.49 -1.16 0.00 0.00 179.01 180.37 3hdi h GLU 126 N -0.20 0.28 0.01 2.33 4.81 -0.55 0.35 114.58 121.62 3hdi h GLU 126 Ca -0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3hdi h GLU 126 Cb 0.79 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3hdi h GLU 126 CO 0.04 0.19 -0.01 0.82 -0.73 0.00 0.00 179.01 179.32 3hdi h ILE 127 N 0.29 1.01 -0.63 2.32 2.04 -1.15 -1.23 117.51 120.16 3hdi h ILE 127 Ca 0.42 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 66.18 3hdi h ILE 127 Cb 0.70 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 3hdi h ILE 127 CO -0.49 0.01 0.23 0.11 0.00 0.00 0.00 178.15 178.01 3hdi h LYS 128 N -0.04 0.92 -0.36 2.37 1.57 -0.83 -1.25 116.57 118.95 3hdi h LYS 128 Ca -0.00 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 3hdi h LYS 128 Cb 0.04 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3hdi h LYS 128 CO 0.00 0.77 0.10 1.98 -0.57 0.00 0.00 179.45 181.73 3hdi h MET 129 N 0.90 0.57 0.00 3.15 4.05 -0.19 0.01 114.93 123.43 3hdi h MET 129 Ca 0.21 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.47 3hdi h MET 129 Cb 0.20 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 30.92 3hdi h MET 129 CO -0.02 0.60 -0.13 0.28 0.23 0.00 0.00 176.91 177.88 3hdi h VAL 130 N 0.44 0.62 -0.08 -5.77 2.07 -0.90 -2.00 116.25 110.63 3hdi h VAL 130 Ca 0.12 -0.55 -0.21 0.00 0.82 0.00 0.00 66.70 66.87 3hdi h VAL 130 Cb 0.28 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3hdi h VAL 130 CO -0.00 0.12 -0.82 -0.78 0.02 0.00 0.00 177.57 176.12 3hdi h ASP 131 N 0.00 0.66 0.00 0.57 1.82 -0.01 -2.98 116.42 116.48 3hdi h ASP 131 Ca -0.00 -0.46 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 3hdi h ASP 131 Cb 0.34 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.15 3hdi h ASP 131 CO 0.02 1.24 0.00 0.47 -1.61 0.00 0.00 179.24 179.35 3hdi n ASP 132 N -3.85 0.02 -3.82 2.28 8.00 -0.13 -4.11 116.55 114.94 3hdi n ASP 132 Ca -0.06 -1.88 -0.29 0.00 0.71 0.00 0.00 54.79 53.27 3hdi n ASP 132 Cb 0.76 -0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.75 3hdi n ASP 132 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3hdi n THR 133 N -0.49 2.06 -0.32 -3.53 -1.04 -1.12 -4.96 114.28 104.87 3hdi n THR 133 Ca 0.00 -5.01 0.17 0.00 -2.04 0.00 0.00 64.05 57.18 3hdi n THR 133 Cb 0.00 -2.19 0.37 0.00 -1.82 0.00 0.00 70.33 66.69 3hdi n THR 133 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 3hdi h PRO 134 N 5.19 0.36 0.00 -2.82 0.13 -1.81 0.24 132.00 133.29 3hdi h PRO 134 Ca 0.16 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3hdi h PRO 134 Cb 0.74 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.78 3hdi h PRO 134 CO 0.78 0.24 0.00 -0.40 -0.23 0.00 0.00 178.00 178.38 3hdi n ASP 135 N -5.05 0.00 -0.07 1.44 5.68 -1.26 -2.34 116.55 114.95 3hdi n ASP 135 Ca 0.26 0.19 -0.14 0.00 -0.50 0.00 0.00 54.79 54.60 3hdi n ASP 135 Cb 0.78 -0.33 -0.05 0.00 -1.14 0.00 0.00 41.12 40.38 3hdi n ASP 135 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3hdi n ASP 136 N -1.33 1.26 0.24 -1.12 2.03 0.75 -4.62 116.55 113.77 3hdi n ASP 136 Ca 0.05 0.13 0.08 0.00 0.52 0.00 0.00 54.79 55.58 3hdi n ASP 136 Cb 0.10 -0.38 0.61 0.00 -0.72 0.00 0.00 41.12 40.74 3hdi n ASP 136 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 3hdi h ILE 137 N -0.42 0.91 -0.44 5.18 6.09 -1.33 -2.34 117.51 125.15 3hdi h ILE 137 Ca -0.34 -0.51 0.05 0.00 -1.37 0.00 0.00 64.86 62.69 3hdi h ILE 137 Cb 1.33 1.29 -0.02 0.00 0.47 0.00 0.00 36.82 39.88 3hdi h ILE 137 CO -0.19 0.14 0.29 1.62 -3.07 0.00 0.00 178.15 176.94 3hdi h VAL 138 N 0.00 0.99 -0.19 2.19 3.04 -1.71 -0.65 116.25 119.93 3hdi h VAL 138 Ca -0.00 -0.14 -0.14 0.00 -1.01 0.00 0.00 66.70 65.41 3hdi h VAL 138 Cb 0.28 0.55 -0.01 0.00 -2.01 0.00 0.00 31.29 30.10 3hdi h VAL 138 CO 0.02 0.07 -0.47 0.45 -1.01 0.00 0.00 177.57 176.63 3hdi h HIS 139 N 0.41 0.61 -0.26 3.17 3.86 -1.68 -2.65 115.15 118.60 3hdi h HIS 139 Ca 0.19 -0.20 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 3hdi h HIS 139 Cb 0.23 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 3hdi h HIS 139 CO -0.00 0.88 -0.10 -0.44 0.86 0.00 0.00 177.93 179.14 3hdi h ASP 140 N 0.40 0.54 -0.77 2.45 3.32 -1.21 -2.93 116.42 118.23 3hdi h ASP 140 Ca 0.02 -0.39 0.06 0.00 0.02 0.00 0.00 57.03 56.74 3hdi h ASP 140 Cb 0.98 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.34 3hdi h ASP 140 CO 0.09 0.81 0.51 -0.07 -1.72 0.00 0.00 179.24 178.85 3hdi h LEU 141 N 0.27 0.73 -1.45 1.55 3.38 -1.23 -0.73 115.31 117.82 3hdi h LEU 141 Ca 0.06 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3hdi h LEU 141 Cb 0.59 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3hdi h LEU 141 CO 0.03 0.47 0.43 0.25 0.09 0.00 0.00 178.44 179.72 3hdi h LEU 142 N 0.83 0.59 -0.92 1.67 5.85 -1.28 0.11 115.31 122.16 3hdi h LEU 142 Ca 0.33 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.95 3hdi h LEU 142 Cb 0.23 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3hdi h LEU 142 CO -0.11 0.39 -0.50 0.28 -0.34 0.00 0.00 178.44 178.15 3hdi h SER 143 N 0.67 0.00 -0.09 1.25 0.02 -1.10 -1.74 113.55 112.56 3hdi h SER 143 Ca 0.28 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 61.00 3hdi h SER 143 Cb 0.24 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.79 3hdi h SER 143 CO -0.09 0.50 -0.83 -1.28 -1.14 0.00 0.00 176.83 174.00 3hdi h SER 144 N 0.00 0.88 0.60 3.07 0.87 -0.57 -2.46 113.55 115.94 3hdi h SER 144 Ca -0.00 -0.67 -0.12 0.00 -1.23 0.00 0.00 61.79 59.76 3hdi h SER 144 Cb 0.95 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 3hdi h SER 144 CO 0.06 1.42 -0.57 0.00 -0.53 0.00 0.00 176.83 177.22 3hdi h ALA 145 N 0.48 1.04 0.09 6.23 0.00 -0.99 -0.91 119.26 125.20 3hdi h ALA 145 Ca -0.08 -0.51 -0.27 0.00 0.00 0.00 0.00 54.91 54.04 3hdi h ALA 145 Cb 1.47 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 19.20 3hdi h ALA 145 CO 0.17 0.71 -1.13 1.15 0.00 0.00 0.00 179.25 180.14 3hdi h THR 146 N 0.00 1.31 -0.05 0.00 2.02 -1.32 -3.33 112.91 111.54 3hdi h THR 146 Ca -0.01 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.78 3hdi h THR 146 Cb 1.02 2.68 0.00 0.00 -1.74 0.00 0.00 68.15 70.10 3hdi h THR 146 CO 0.07 0.73 0.00 -1.22 0.37 0.00 0.00 175.52 175.47 3hdi n TYR 147 N -3.87 0.05 0.00 3.16 4.01 -0.93 -2.11 117.16 117.47 3hdi n TYR 147 Ca -0.13 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 3hdi n TYR 147 Cb 0.93 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.96 3hdi n TYR 147 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hdi n GLY 148 N 0.58 3.13 0.28 2.72 0.00 -0.35 -1.68 105.19 109.88 3hdi n GLY 148 Ca 0.07 0.28 0.15 0.00 0.00 0.00 0.00 46.02 46.51 3hdi n GLY 148 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hdi n LYS 149 N 10.13 1.37 -1.39 1.61 4.76 -1.26 -4.61 118.16 128.76 3hdi n LYS 149 Ca 0.00 -0.57 -0.32 0.00 -2.87 0.00 0.00 58.31 54.55 3hdi n LYS 149 Cb 0.00 -1.49 0.08 0.00 -1.84 0.00 0.00 35.03 31.79 3hdi n LYS 149 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3hdi s HIS 150 N -2.02 2.44 0.16 2.13 2.46 -0.67 -4.89 115.29 114.89 3hdi s HIS 150 Ca 0.41 1.58 0.34 0.00 0.47 0.00 0.00 55.06 57.87 3hdi s HIS 150 Cb 0.21 -3.17 1.67 0.00 -0.13 0.00 0.00 32.58 31.17 3hdi s HIS 150 CO 0.35 -1.95 2.02 0.66 -2.47 0.00 0.00 174.74 173.36 3hdi h SER 151 N -0.71 0.00 1.23 9.88 4.64 -1.90 -0.54 113.55 126.14 3hdi h SER 151 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3hdi h SER 151 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3hdi h SER 151 CO 0.51 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 176.40 3hdi h LEU 152 N 0.00 0.00 -1.23 5.97 3.38 -1.86 -2.58 115.31 118.98 3hdi h LEU 152 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hdi h LEU 152 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3hdi h LEU 152 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3hdi n GLY 153 N 0.45 0.35 3.78 0.83 0.00 -0.21 -4.76 105.19 105.61 3hdi n GLY 153 Ca 0.02 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 3hdi n GLY 153 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hdi s TYR 154 N -1.90 3.78 0.14 1.61 4.12 -0.97 -4.20 117.35 119.93 3hdi s TYR 154 Ca 0.35 1.76 -0.30 0.00 0.02 0.00 0.00 57.07 58.90 3hdi s TYR 154 Cb 0.20 -2.89 -0.07 0.00 -1.52 0.00 0.00 41.96 37.68 3hdi s TYR 154 CO 0.31 0.31 1.06 -1.25 0.02 0.00 0.00 175.55 175.99 3hdi s PRO 155 N -1.76 4.61 0.34 -1.71 0.04 -1.26 -4.93 135.00 130.33 3hdi s PRO 155 Ca 0.46 1.62 0.06 0.00 0.04 0.00 0.00 61.00 63.19 3hdi s PRO 155 Cb -0.21 -3.32 0.74 0.00 0.04 0.00 0.00 34.50 31.75 3hdi s PRO 155 CO 0.26 0.09 1.89 0.82 0.04 0.00 0.00 177.00 180.10 3hdi h ILE 156 N 3.94 0.92 0.00 0.56 2.04 -1.95 -1.14 117.51 121.88 3hdi h ILE 156 Ca -0.43 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.16 3hdi h ILE 156 Cb 1.21 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3hdi h ILE 156 CO 0.73 0.14 0.00 0.18 0.00 0.00 0.00 178.15 179.20 3hdi n LEU 157 N -4.54 0.62 0.00 1.44 4.77 -1.26 -4.30 117.00 113.73 3hdi n LEU 157 Ca 0.15 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 3hdi n LEU 157 Cb 0.37 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3hdi n LEU 157 CO 0.31 -0.41 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 3hdi n GLY 158 N 0.41 -1.46 3.43 -0.72 0.00 -0.43 -4.70 105.19 101.72 3hdi n GLY 158 Ca 0.03 -1.43 -0.21 0.00 0.00 0.00 0.00 46.02 44.41 3hdi n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hdi s THR 159 N 0.00 1.60 0.37 2.61 -4.23 -1.26 -4.82 115.64 109.91 3hdi s THR 159 Ca 0.00 -2.11 0.06 0.00 -1.18 0.00 0.00 61.69 58.46 3hdi s THR 159 Cb 0.00 -2.47 0.21 0.00 1.34 0.00 0.00 72.50 71.58 3hdi s THR 159 CO 0.00 -0.28 1.96 0.58 -0.54 0.00 0.00 174.62 176.33 3hdi h VAL 160 N 2.28 1.16 0.14 2.29 2.07 -1.98 -1.97 116.25 120.24 3hdi h VAL 160 Ca -0.40 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 3hdi h VAL 160 Cb 1.23 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 3hdi h VAL 160 CO 0.67 0.19 -0.07 -0.33 0.02 0.00 0.00 177.57 178.06 3hdi h GLU 161 N 0.51 -0.19 -0.61 1.57 3.07 -1.99 -2.50 114.58 114.44 3hdi h GLU 161 Ca 0.12 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 59.11 3hdi h GLU 161 Cb 0.16 0.04 -0.12 0.00 -0.84 0.00 0.00 28.75 27.99 3hdi h GLU 161 CO -0.01 -0.12 -0.33 1.79 -1.40 0.00 0.00 179.01 178.94 3hdi h THR 162 N -0.22 0.17 -1.01 1.13 1.35 -1.85 0.59 112.91 113.07 3hdi h THR 162 Ca -0.02 0.00 0.24 0.00 -0.55 0.00 0.00 66.41 66.08 3hdi h THR 162 Cb 0.15 0.17 -0.10 0.00 -1.73 0.00 0.00 68.15 66.63 3hdi h THR 162 CO 0.03 0.00 0.63 -0.07 -0.25 0.00 0.00 175.52 175.87 3hdi h LEU 163 N -0.15 0.58 -1.62 3.87 4.07 -1.41 0.35 115.31 121.00 3hdi h LEU 163 Ca 0.24 0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.29 3hdi h LEU 163 Cb 0.55 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.29 3hdi h LEU 163 CO -0.70 0.13 -0.06 0.78 -1.08 0.00 0.00 178.44 177.52 3hdi h ASN 164 N 0.52 0.00 1.39 -0.43 -0.26 -0.40 -2.23 115.58 114.16 3hdi h ASN 164 Ca 0.60 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 56.32 3hdi h ASN 164 Cb 1.29 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.55 3hdi h ASN 164 CO -0.36 0.06 -0.62 0.77 -1.06 0.00 0.00 177.43 176.22 3hdi h SER 165 N 0.00 0.00 -3.85 5.81 4.64 -0.10 -3.47 113.55 116.58 3hdi h SER 165 Ca -0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 3hdi h SER 165 Cb 0.48 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.68 3hdi h SER 165 CO 0.01 0.07 0.79 0.49 -0.87 0.00 0.00 176.83 177.32 3hdi n PHE 166 N -2.89 3.00 -3.89 4.77 0.99 -0.84 -4.96 117.46 113.63 3hdi n PHE 166 Ca 0.01 0.42 -0.08 0.00 -0.00 0.00 0.00 57.45 57.80 3hdi n PHE 166 Cb 0.57 -2.54 -0.03 0.00 -1.00 0.00 0.00 39.48 36.48 3hdi n PHE 166 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3hdi s ASN 167 N -0.05 -0.22 0.51 4.37 2.20 -1.26 -5.02 114.94 115.47 3hdi s ASN 167 Ca 0.54 -0.69 0.33 0.00 -0.94 0.00 0.00 52.86 52.10 3hdi s ASN 167 Cb -0.48 0.69 1.47 0.00 -2.00 0.00 0.00 41.25 40.93 3hdi s ASN 167 CO 0.62 -1.29 1.80 -0.08 -2.94 0.00 0.00 177.10 175.21 3hdi h GLU 168 N 2.07 0.07 0.36 3.55 4.81 -1.96 -1.06 114.58 122.42 3hdi h GLU 168 Ca -0.21 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 3hdi h GLU 168 Cb 1.25 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3hdi h GLU 168 CO 0.26 0.05 -0.17 0.78 -0.73 0.00 0.00 179.01 179.20 3hdi h GLY 169 N 0.07 -0.50 0.88 1.92 0.00 -1.97 -1.34 103.07 102.14 3hdi h GLY 169 Ca 0.57 0.19 0.03 0.00 0.00 0.00 0.00 47.33 48.12 3hdi h GLY 169 CO -0.07 -0.18 0.48 -0.33 0.00 0.00 0.00 176.54 176.44 3hdi h MET 170 N -0.74 0.92 0.27 4.80 2.86 -1.60 -0.09 114.93 121.34 3hdi h MET 170 Ca -0.05 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3hdi h MET 170 Cb 0.50 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3hdi h MET 170 CO 0.08 0.61 -0.28 -0.07 1.06 0.00 0.00 176.91 178.31 3hdi h LEU 171 N 0.94 -0.75 -0.75 1.22 3.38 -1.28 -1.16 115.31 116.92 3hdi h LEU 171 Ca 0.30 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.24 3hdi h LEU 171 Cb 0.00 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3hdi h LEU 171 CO -0.11 -0.40 -0.13 0.03 0.09 0.00 0.00 178.44 177.92 3hdi h ARG 172 N -0.58 0.82 -0.78 1.13 3.08 -1.04 0.27 114.38 117.26 3hdi h ARG 172 Ca -0.01 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 59.77 3hdi h ARG 172 Cb 0.54 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 3hdi h ARG 172 CO -0.06 0.90 0.52 1.25 -1.07 0.00 0.00 179.97 181.51 3hdi h HIS 173 N 0.73 0.98 0.02 3.04 2.76 -0.81 0.18 115.15 122.06 3hdi h HIS 173 Ca 0.12 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.24 3hdi h HIS 173 Cb 0.63 -0.33 0.01 0.00 1.55 0.00 0.00 27.41 29.27 3hdi h HIS 173 CO 0.03 0.61 -0.29 -0.92 -1.30 0.00 0.00 177.93 176.07 3hdi h TYR 174 N 1.06 0.24 -0.75 5.26 5.03 -0.93 -3.17 116.97 123.71 3hdi h TYR 174 Ca 0.29 -0.15 0.07 0.00 2.58 0.00 0.00 58.73 61.53 3hdi h TYR 174 Cb -0.11 -0.02 -0.05 0.00 1.55 0.00 0.00 36.73 38.10 3hdi h TYR 174 CO -0.00 1.02 0.49 1.98 -1.32 0.00 0.00 178.16 180.33 3hdi h MET 175 N -0.60 0.73 -0.58 1.82 4.05 -0.16 -1.30 114.93 118.89 3hdi h MET 175 Ca -0.04 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.25 3hdi h MET 175 Cb 1.11 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.73 3hdi h MET 175 CO 0.06 0.48 0.06 -0.44 0.23 0.00 0.00 176.91 177.29 3hdi h ASP 176 N 0.75 0.96 -0.03 1.39 3.32 -0.72 0.57 116.42 122.66 3hdi h ASP 176 Ca 0.33 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 3hdi h ASP 176 Cb 0.32 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3hdi h ASP 176 CO -0.12 1.00 -0.14 0.03 -1.72 0.00 0.00 179.24 178.30 3hdi h ARG 177 N 0.89 0.15 0.00 3.56 3.08 -1.31 -3.40 114.38 117.35 3hdi h ARG 177 Ca 0.17 -0.12 -0.28 0.00 0.07 0.00 0.00 59.98 59.82 3hdi h ARG 177 Cb 0.48 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.50 3hdi h ARG 177 CO 0.02 0.77 -1.95 1.19 -1.07 0.00 0.00 179.97 178.93 3hdi n PHE 178 N -4.62 0.53 -1.58 3.04 3.01 -0.57 -4.48 117.46 112.79 3hdi n PHE 178 Ca -0.09 0.19 -0.39 0.00 1.01 0.00 0.00 57.45 58.17 3hdi n PHE 178 Cb 0.40 -1.05 -0.02 0.00 -0.01 0.00 0.00 39.48 38.80 3hdi n PHE 178 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3hdi n TYR 179 N -2.85 2.43 -4.47 1.38 4.02 0.19 -4.60 117.16 113.26 3hdi n TYR 179 Ca -0.21 -2.94 -0.23 0.00 -0.01 0.00 0.00 57.90 54.51 3hdi n TYR 179 Cb 1.02 -2.19 -0.09 0.00 -0.02 0.00 0.00 39.34 38.06 3hdi n TYR 179 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3hdi s THR 180 N 0.73 0.87 0.08 -0.72 -4.23 -1.26 -4.79 115.64 106.32 3hdi s THR 180 Ca 0.63 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.04 3hdi s THR 180 Cb 0.19 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.47 3hdi s THR 180 CO -0.08 0.00 0.63 0.61 -0.54 0.00 0.00 174.62 175.24 3hdi n GLY 181 N -0.77 -0.97 0.29 3.99 0.00 -0.46 0.11 105.19 107.37 3hdi n GLY 181 Ca -0.04 0.47 0.19 0.00 0.00 0.00 0.00 46.02 46.64 3hdi n GLY 181 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hdi h ASP 182 N 0.00 0.00 0.00 1.61 3.32 -1.80 -2.60 116.42 116.94 3hdi h ASP 182 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3hdi h ASP 182 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3hdi h ASP 182 CO -0.39 0.01 -1.55 -1.22 -1.72 0.00 0.00 179.24 174.37 3hdi n TYR 183 N -3.12 0.00 -3.28 4.55 4.02 0.12 -4.93 117.16 114.52 3hdi n TYR 183 Ca -0.01 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.50 3hdi n TYR 183 Cb 0.24 -0.29 -0.06 0.00 -0.02 0.00 0.00 39.34 39.21 3hdi n TYR 183 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3hdi s VAL 184 N -3.20 5.17 -0.06 -0.72 1.01 -0.89 -0.50 120.40 121.21 3hdi s VAL 184 Ca -0.02 1.01 0.00 0.00 0.00 0.00 0.00 61.98 62.97 3hdi s VAL 184 Cb 0.14 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.70 3hdi s VAL 184 CO 0.83 0.31 -0.05 -0.69 0.00 0.00 0.00 175.10 175.51 3hdi s VAL 185 N 0.67 0.63 -0.22 2.92 1.01 -0.00 -2.34 120.40 123.06 3hdi s VAL 185 Ca 0.27 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.05 3hdi s VAL 185 Cb -0.15 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 3hdi s VAL 185 CO 0.11 0.27 0.08 -0.63 0.00 0.00 0.00 175.10 174.92 3hdi s ILE 186 N 1.24 4.59 -0.14 2.22 -1.09 0.13 -0.65 121.20 127.51 3hdi s ILE 186 Ca -0.06 -0.09 -0.01 0.00 -2.23 0.00 0.00 60.65 58.27 3hdi s ILE 186 Cb -0.14 -3.12 -0.01 0.00 -1.58 0.00 0.00 42.46 37.61 3hdi s ILE 186 CO -0.02 0.38 -0.12 -0.55 -1.23 0.00 0.00 174.94 173.40 3hdi s SER 187 N 1.12 3.98 -0.06 3.58 0.15 -0.16 -0.29 113.70 122.02 3hdi s SER 187 Ca 0.05 -0.36 0.02 0.00 0.70 0.00 0.00 55.95 56.36 3hdi s SER 187 Cb -0.14 -1.62 0.02 0.00 -1.71 0.00 0.00 66.02 62.57 3hdi s SER 187 CO 0.03 0.13 -0.10 -0.69 1.20 0.00 0.00 173.24 173.81 3hdi s VAL 188 N 0.55 0.98 0.03 4.45 1.01 -0.50 -1.11 120.40 125.82 3hdi s VAL 188 Ca -0.08 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3hdi s VAL 188 Cb -0.16 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 3hdi s VAL 188 CO 0.04 0.32 -0.06 0.00 0.00 0.00 0.00 175.10 175.40 3hdi s ALA 189 N 0.71 0.38 0.00 5.51 0.00 -0.79 -1.20 121.76 126.37 3hdi s ALA 189 Ca -0.14 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3hdi s ALA 189 Cb -0.15 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.05 3hdi s ALA 189 CO 0.03 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.13 3hdi n GLY 190 N 1.58 0.08 2.94 0.00 0.00 -0.55 -0.76 105.19 108.49 3hdi n GLY 190 Ca -0.23 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 3hdi n GLY 190 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hdi n ASN 191 N 0.00 5.48 -4.81 1.61 5.15 -0.16 0.18 115.26 122.71 3hdi n ASN 191 Ca 0.00 -3.19 -0.38 0.00 -0.60 0.00 0.00 54.58 50.41 3hdi n ASN 191 Cb 0.00 -1.42 -0.06 0.00 -0.53 0.00 0.00 39.78 37.77 3hdi n ASN 191 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3hdi s VAL 192 N -0.48 4.98 -0.05 3.44 1.01 -1.26 -4.84 120.40 123.21 3hdi s VAL 192 Ca 0.37 0.97 0.03 0.00 0.00 0.00 0.00 61.98 63.36 3hdi s VAL 192 Cb 0.07 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 3hdi s VAL 192 CO 0.03 0.52 -0.13 -1.00 0.00 0.00 0.00 175.10 174.52 3hdi s HIS 193 N -0.75 2.74 0.33 5.22 0.09 -1.26 -4.95 115.29 116.71 3hdi s HIS 193 Ca 0.26 -0.13 0.12 0.00 -0.00 0.00 0.00 55.06 55.30 3hdi s HIS 193 Cb -0.17 -1.63 1.03 0.00 -0.00 0.00 0.00 32.58 31.80 3hdi s HIS 193 CO 0.14 0.22 1.63 -0.44 -0.00 0.00 0.00 174.74 176.29 3hdi h ASP 194 N 5.26 0.21 -0.53 1.40 5.19 -1.99 -0.68 116.42 125.27 3hdi h ASP 194 Ca -0.47 0.22 0.05 0.00 -0.62 0.00 0.00 57.03 56.21 3hdi h ASP 194 Cb 1.16 0.25 -0.07 0.00 0.18 0.00 0.00 39.33 40.84 3hdi h ASP 194 CO 0.51 -0.25 -0.41 -0.33 -3.12 0.00 0.00 179.24 175.64 3hdi h GLU 195 N 0.17 -0.11 -0.73 3.56 5.08 -1.99 0.22 114.58 120.78 3hdi h GLU 195 Ca 0.71 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 59.20 3hdi h GLU 195 Cb 1.64 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.83 3hdi h GLU 195 CO -0.70 -0.08 0.31 1.25 -1.00 0.00 0.00 179.01 178.79 3hdi h LEU 196 N -0.12 0.32 -0.49 1.33 5.85 -1.55 0.30 115.31 120.94 3hdi h LEU 196 Ca 0.09 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3hdi h LEU 196 Cb 0.34 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3hdi h LEU 196 CO -0.56 0.14 0.30 0.40 -0.34 0.00 0.00 178.44 178.38 3hdi h ILE 197 N 0.48 1.15 -0.28 4.05 2.04 -0.78 0.20 117.51 124.37 3hdi h ILE 197 Ca 0.39 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.84 3hdi h ILE 197 Cb 0.55 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3hdi h ILE 197 CO -0.37 0.15 -0.21 0.44 0.00 0.00 0.00 178.15 178.16 3hdi h ASP 198 N 0.66 0.52 -0.38 1.72 3.32 0.16 0.98 116.42 123.40 3hdi h ASP 198 Ca 0.18 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3hdi h ASP 198 Cb -0.02 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3hdi h ASP 198 CO -0.03 0.74 0.25 0.50 -1.72 0.00 0.00 179.24 178.98 3hdi h LYS 199 N 0.47 0.51 -0.24 3.56 3.64 -0.20 0.27 116.57 124.57 3hdi h LYS 199 Ca 0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3hdi h LYS 199 Cb 0.63 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3hdi h LYS 199 CO 0.04 0.33 0.15 0.82 -2.27 0.00 0.00 179.45 178.53 3hdi h ILE 200 N 0.52 1.08 0.26 2.00 2.04 -0.38 -0.91 117.51 122.12 3hdi h ILE 200 Ca 0.14 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.83 3hdi h ILE 200 Cb -0.06 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3hdi h ILE 200 CO -0.03 0.08 -0.42 0.50 0.00 0.00 0.00 178.15 178.28 3hdi h LYS 201 N 0.32 -0.72 -0.55 2.37 3.64 -0.22 -0.78 116.57 120.63 3hdi h LYS 201 Ca 0.09 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.61 3hdi h LYS 201 Cb -0.01 0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 31.90 3hdi h LYS 201 CO -0.02 -0.48 0.12 1.49 -2.27 0.00 0.00 179.45 178.29 3hdi h GLU 202 N -0.75 0.25 -0.01 1.90 4.57 -0.35 -3.07 114.58 117.12 3hdi h GLU 202 Ca -0.01 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3hdi h GLU 202 Cb 0.72 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.25 3hdi h GLU 202 CO -0.16 0.17 -0.00 1.15 -1.18 0.00 0.00 179.01 178.99 3hdi h THR 203 N 0.26 1.31 0.00 0.32 2.02 -0.95 -3.26 112.91 112.61 3hdi h THR 203 Ca 0.28 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.55 3hdi h THR 203 Cb 0.39 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 3hdi h THR 203 CO -0.36 0.24 0.00 0.49 0.37 0.00 0.00 175.52 176.26 3hdi n PHE 204 N -4.89 0.00 0.05 3.16 3.72 -0.32 -2.66 117.46 116.52 3hdi n PHE 204 Ca -0.08 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.26 3hdi n PHE 204 Cb 0.21 -0.06 -0.11 0.00 -0.94 0.00 0.00 39.48 38.58 3hdi n PHE 204 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3hdi h SER 205 N 0.02 0.00 0.00 4.37 0.02 -1.58 -3.17 113.55 113.22 3hdi h SER 205 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hdi h SER 205 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 3hdi h SER 205 CO 0.00 0.96 0.10 -0.61 -1.14 0.00 0.00 176.83 176.14 3hdi h GLN 206 N 0.00 0.00 -6.43 3.45 4.15 -1.72 -3.42 115.11 111.14 3hdi h GLN 206 Ca -0.06 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.83 3hdi h GLN 206 Cb 1.78 0.00 0.03 0.00 0.21 0.00 0.00 27.48 29.50 3hdi h GLN 206 CO 0.12 0.00 1.15 0.08 -1.93 0.00 0.00 178.83 178.25 3hdi s VAL 207 N -4.02 2.84 0.37 2.39 1.01 -1.20 -4.93 120.40 116.85 3hdi s VAL 207 Ca -0.04 0.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.78 3hdi s VAL 207 Cb 0.11 -3.07 -0.09 0.00 0.00 0.00 0.00 36.38 33.32 3hdi s VAL 207 CO 0.33 -0.00 1.26 -0.54 0.00 0.00 0.00 175.10 176.15 3hdi s LYS 208 N 3.54 4.17 0.58 2.72 1.02 -1.26 -4.70 119.74 125.82 3hdi s LYS 208 Ca 0.83 2.09 -0.20 0.00 0.02 0.00 0.00 55.97 58.71 3hdi s LYS 208 Cb -0.43 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 3hdi s LYS 208 CO 0.38 -0.30 1.31 -2.30 -0.92 0.00 0.00 175.35 173.53 3hdi n PRO 209 N 0.44 1.47 -2.44 -1.68 -0.02 -1.26 -1.35 135.00 130.16 3hdi n PRO 209 Ca 0.02 0.55 -0.43 0.00 -2.02 0.00 0.00 63.50 61.63 3hdi n PRO 209 Cb 0.44 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.36 3hdi n PRO 209 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3hdi s THR 210 N -1.33 4.25 -0.04 3.45 2.01 -1.26 -4.61 115.64 118.12 3hdi s THR 210 Ca 0.75 1.55 0.06 0.00 0.31 0.00 0.00 61.69 64.36 3hdi s THR 210 Cb -0.41 -4.00 -0.08 0.00 0.01 0.00 0.00 72.50 68.02 3hdi s THR 210 CO 0.46 -0.06 0.07 0.35 -0.69 0.00 0.00 174.62 174.75 3hdi n THR 211 N 4.96 0.24 -2.54 -0.82 -2.24 -1.26 -4.92 114.28 107.70 3hdi n THR 211 Ca 0.12 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 3hdi n THR 211 Cb 0.45 -0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 3hdi n THR 211 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3hdi s TYR 212 N -2.25 3.36 -0.47 4.78 5.04 -1.26 -5.00 117.35 121.55 3hdi s TYR 212 Ca -0.03 1.38 -0.19 0.00 -2.44 0.00 0.00 57.07 55.80 3hdi s TYR 212 Cb 0.03 -3.33 0.04 0.00 0.35 0.00 0.00 41.96 39.05 3hdi s TYR 212 CO 0.25 -0.88 0.55 1.21 -1.34 0.00 0.00 175.55 175.34 3hdi s ASN 213 N 1.27 6.22 -0.06 4.32 2.47 -1.26 -5.04 114.94 122.87 3hdi s ASN 213 Ca 0.54 -0.78 -0.28 0.00 0.42 0.00 0.00 52.86 52.76 3hdi s ASN 213 Cb -0.23 -2.27 -0.03 0.00 -1.45 0.00 0.00 41.25 37.27 3hdi s ASN 213 CO 0.23 -0.76 0.89 -0.47 -3.72 0.00 0.00 177.10 173.27 3hdi s TYR 214 N 2.43 3.58 -0.29 0.43 5.04 -1.26 -5.03 117.35 122.24 3hdi s TYR 214 Ca 0.14 1.50 -0.08 0.00 -2.44 0.00 0.00 57.07 56.20 3hdi s TYR 214 Cb -0.18 -3.04 -0.00 0.00 0.35 0.00 0.00 41.96 39.09 3hdi s TYR 214 CO 0.13 -0.06 0.10 -0.65 -1.34 0.00 0.00 175.55 173.74 3hdi s GLN 215 N 1.30 3.25 -0.12 4.97 -1.52 -1.26 -5.09 119.66 121.19 3hdi s GLN 215 Ca 0.46 -0.76 -0.00 0.00 -1.95 0.00 0.00 55.36 53.10 3hdi s GLN 215 Cb -0.19 -3.43 -0.02 0.00 -0.22 0.00 0.00 33.01 29.15 3hdi s GLN 215 CO 0.21 -0.40 -0.11 0.20 -0.25 0.00 0.00 175.29 174.94 3hdi s GLY 216 N 1.55 1.58 0.37 3.09 0.00 -1.26 -5.11 107.32 107.54 3hdi s GLY 216 Ca 0.04 -0.88 -0.10 0.00 0.00 0.00 0.00 44.72 43.77 3hdi s GLY 216 CO 0.04 -0.26 0.73 1.85 0.00 0.00 0.00 173.10 175.46 3hdi s GLU 217 N 0.17 3.78 0.15 2.90 2.12 -1.26 -5.07 118.70 121.49 3hdi s GLU 217 Ca -0.06 0.41 -0.17 0.00 0.36 0.00 0.00 54.97 55.51 3hdi s GLU 217 Cb -0.15 -2.44 -0.07 0.00 0.26 0.00 0.00 34.13 31.73 3hdi s GLU 217 CO 0.04 0.03 0.61 0.15 -0.54 0.00 0.00 175.26 175.56 3hdi s LYS 218 N -3.69 4.12 0.47 4.30 3.01 -1.26 -5.05 119.74 121.65 3hdi s LYS 218 Ca 0.50 0.67 -0.08 0.00 -1.01 0.00 0.00 55.97 56.06 3hdi s LYS 218 Cb -0.10 -2.99 -0.05 0.00 -1.01 0.00 0.00 37.83 33.68 3hdi s LYS 218 CO 0.29 0.49 0.81 -1.25 0.51 0.00 0.00 175.35 176.20 3hdi s PRO 219 N -1.76 3.63 -0.12 -1.68 0.04 -1.26 -5.09 135.00 128.76 3hdi s PRO 219 Ca 0.37 0.35 0.02 0.00 0.04 0.00 0.00 61.00 61.79 3hdi s PRO 219 Cb -0.17 -2.35 -0.00 0.00 0.04 0.00 0.00 34.50 32.02 3hdi s PRO 219 CO 0.20 -0.18 -0.20 1.41 0.04 0.00 0.00 177.00 178.27 3hdi s MET 220 N -4.47 3.16 -0.09 4.56 1.75 -1.26 -4.99 119.30 117.96 3hdi s MET 220 Ca 0.50 -0.81 -0.22 0.00 -1.25 0.00 0.00 55.69 53.91 3hdi s MET 220 Cb -0.10 -2.44 -0.04 0.00 2.84 0.00 0.00 34.83 35.09 3hdi s MET 220 CO 0.41 0.16 0.65 0.12 -0.65 0.00 0.00 175.02 175.71 3hdi s PHE 221 N 0.41 3.54 -0.03 4.11 5.36 -1.26 -4.53 117.98 125.59 3hdi s PHE 221 Ca -0.15 1.14 0.02 0.00 -0.96 0.00 0.00 56.93 56.98 3hdi s PHE 221 Cb -0.17 -2.75 0.01 0.00 -0.34 0.00 0.00 43.02 39.77 3hdi s PHE 221 CO 0.07 0.08 -0.07 -0.51 -1.46 0.00 0.00 175.22 173.32 3hdi s LEU 222 N 0.87 1.73 0.00 6.12 1.43 -0.90 -5.04 118.68 122.89 3hdi s LEU 222 Ca 0.34 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 3hdi s LEU 222 Cb -0.17 -0.47 -0.15 0.00 0.03 0.00 0.00 46.19 45.43 3hdi s LEU 222 CO 0.16 0.04 2.28 -0.81 0.23 0.00 0.00 176.35 178.25 3hdi n PRO 223 N 3.38 1.16 -1.91 1.29 -0.04 -1.26 -4.35 135.00 133.27 3hdi n PRO 223 Ca -0.19 -0.54 -0.29 0.00 -0.04 0.00 0.00 63.50 62.44 3hdi n PRO 223 Cb 0.54 -1.73 0.07 0.00 -0.04 0.00 0.00 33.50 32.34 3hdi n PRO 223 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3hdi s ASN 224 N 2.33 4.87 -0.01 3.54 0.02 -1.25 -4.64 114.94 119.80 3hdi s ASN 224 Ca 0.36 0.90 0.05 0.00 -1.02 0.00 0.00 52.86 53.15 3hdi s ASN 224 Cb 0.17 -1.51 -0.01 0.00 0.02 0.00 0.00 41.25 39.92 3hdi s ASN 224 CO 0.00 -1.68 -0.16 -0.13 0.02 0.00 0.00 177.10 175.14 3hdi s ARG 225 N -5.48 1.33 -0.05 -0.60 3.00 -1.26 -0.88 118.95 115.01 3hdi s ARG 225 Ca 0.60 -0.58 0.04 0.00 0.00 0.00 0.00 55.73 55.79 3hdi s ARG 225 Cb -0.11 -1.29 -0.00 0.00 0.00 0.00 0.00 34.95 33.55 3hdi s ARG 225 CO 0.50 0.35 -0.16 0.42 0.00 0.00 0.00 175.30 176.41 3hdi s ILE 226 N -0.38 1.37 0.05 1.52 1.01 -0.14 -4.99 121.20 119.65 3hdi s ILE 226 Ca 0.06 -0.67 0.05 0.00 0.00 0.00 0.00 60.65 60.09 3hdi s ILE 226 Cb -0.06 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 3hdi s ILE 226 CO -0.01 0.40 -0.13 -0.69 0.00 0.00 0.00 174.94 174.51 3hdi s VAL 227 N 0.16 1.03 -0.04 2.92 1.01 -1.26 -1.29 120.40 122.94 3hdi s VAL 227 Ca -0.06 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.78 3hdi s VAL 227 Cb -0.12 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.30 3hdi s VAL 227 CO 0.03 -0.15 -0.02 -0.60 0.00 0.00 0.00 175.10 174.36 3hdi s ARG 228 N -1.46 0.55 -0.33 2.72 3.52 0.04 -4.96 118.95 119.03 3hdi s ARG 228 Ca -0.01 0.01 -0.23 0.00 -0.13 0.00 0.00 55.73 55.37 3hdi s ARG 228 Cb -0.09 -0.69 0.00 0.00 -1.56 0.00 0.00 34.95 32.61 3hdi s ARG 228 CO 0.02 -0.14 0.76 0.21 -0.81 0.00 0.00 175.30 175.34 3hdi s LYS 229 N 1.12 3.86 -0.02 5.12 2.20 -1.26 -2.10 119.74 128.67 3hdi s LYS 229 Ca -0.08 0.42 -0.10 0.00 -0.36 0.00 0.00 55.97 55.85 3hdi s LYS 229 Cb -0.14 -3.76 0.01 0.00 -1.51 0.00 0.00 37.83 32.43 3hdi s LYS 229 CO -0.01 -0.73 0.20 0.21 -0.36 0.00 0.00 175.35 174.66 3hdi s LYS 230 N 2.95 0.50 -0.80 4.03 2.20 0.11 -4.96 119.74 123.77 3hdi s LYS 230 Ca 0.31 -0.23 -0.26 0.00 -0.36 0.00 0.00 55.97 55.43 3hdi s LYS 230 Cb -0.14 0.22 0.01 0.00 -1.51 0.00 0.00 37.83 36.41 3hdi s LYS 230 CO 0.14 -0.12 1.56 -2.00 -0.36 0.00 0.00 175.35 174.57 3hdi s GLU 231 N -1.14 3.05 0.21 4.03 2.12 -1.26 -2.79 118.70 122.92 3hdi s GLU 231 Ca -0.12 -0.25 0.01 0.00 0.36 0.00 0.00 54.97 54.97 3hdi s GLU 231 Cb -0.06 -4.64 -0.05 0.00 0.26 0.00 0.00 34.13 29.64 3hdi s GLU 231 CO 0.02 -2.49 0.05 0.95 -0.54 0.00 0.00 175.26 173.26 3hdi s THR 232 N 7.00 0.57 -0.09 -1.70 -4.23 -1.26 -5.03 115.64 110.91 3hdi s THR 232 Ca 0.50 -1.99 -0.14 0.00 -1.18 0.00 0.00 61.69 58.89 3hdi s THR 232 Cb -0.07 -2.35 -0.28 0.00 1.34 0.00 0.00 72.50 71.13 3hdi s THR 232 CO 0.08 -0.25 0.58 -0.33 -0.54 0.00 0.00 174.62 174.16 3hdi h GLU 233 N 2.57 0.30 -6.21 3.99 4.39 -1.97 -3.43 114.58 114.22 3hdi h GLU 233 Ca -0.37 -0.51 -0.49 0.00 0.34 0.00 0.00 59.36 58.33 3hdi h GLU 233 Cb 1.22 0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 30.03 3hdi h GLU 233 CO 0.61 1.24 -0.46 -0.65 -1.16 0.00 0.00 179.01 178.59 3hdi s GLN 234 N -2.52 2.95 -0.29 2.33 -0.21 -1.26 -3.44 119.66 117.21 3hdi s GLN 234 Ca -0.19 -1.09 -0.12 0.00 0.02 0.00 0.00 55.36 53.98 3hdi s GLN 234 Cb 0.05 -2.61 -0.04 0.00 1.00 0.00 0.00 33.01 31.41 3hdi s GLN 234 CO 0.80 0.26 0.21 0.00 -2.12 0.00 0.00 175.29 174.43 3hdi s ALA 235 N -2.18 3.53 -0.23 6.09 0.00 0.19 -4.71 121.76 124.45 3hdi s ALA 235 Ca 0.37 -1.15 -0.16 0.00 0.00 0.00 0.00 51.96 51.02 3hdi s ALA 235 Cb -0.07 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 3hdi s ALA 235 CO 0.27 -0.65 0.43 -1.01 0.00 0.00 0.00 175.76 174.80 3hdi s HIS 236 N 1.76 3.32 0.02 0.00 0.09 -0.29 -2.62 115.29 117.58 3hdi s HIS 236 Ca 0.07 0.60 0.05 0.00 -0.00 0.00 0.00 55.06 55.78 3hdi s HIS 236 Cb -0.16 -2.59 -0.02 0.00 -0.00 0.00 0.00 32.58 29.80 3hdi s HIS 236 CO 0.11 -0.12 -0.16 -1.17 -0.00 0.00 0.00 174.74 173.40 3hdi s LEU 237 N 1.72 2.12 -0.00 0.89 2.96 0.22 -1.26 118.68 125.33 3hdi s LEU 237 Ca 0.19 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3hdi s LEU 237 Cb -0.15 -0.75 -0.00 0.00 0.50 0.00 0.00 46.19 45.79 3hdi s LEU 237 CO 0.09 0.11 -0.04 0.00 -1.32 0.00 0.00 176.35 175.19 3hdi s LEU 239 N -0.20 1.88 -0.04 0.00 1.43 -0.52 -1.34 118.68 119.89 3hdi s LEU 239 Ca 0.01 -0.30 0.06 0.00 -1.03 0.00 0.00 54.13 52.86 3hdi s LEU 239 Cb -0.02 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.34 3hdi s LEU 239 CO -0.00 0.13 -0.21 -0.83 0.23 0.00 0.00 176.35 175.66 3hdi s GLY 240 N 0.08 1.38 0.09 -3.19 0.00 0.25 -1.38 107.32 104.55 3hdi s GLY 240 Ca -0.03 -1.05 0.07 0.00 0.00 0.00 0.00 44.72 43.70 3hdi s GLY 240 CO 0.02 -0.81 -0.18 -0.19 0.00 0.00 0.00 173.10 171.93 3hdi s TYR 241 N -0.56 1.57 0.56 1.90 1.51 0.35 -1.18 117.35 121.50 3hdi s TYR 241 Ca 0.08 -0.43 -0.21 0.00 -1.01 0.00 0.00 57.07 55.50 3hdi s TYR 241 Cb -0.11 -0.87 -0.05 0.00 -0.11 0.00 0.00 41.96 40.82 3hdi s TYR 241 CO 0.00 0.14 1.24 -0.35 -1.11 0.00 0.00 175.55 175.47 3hdi n PRO 242 N 1.20 1.40 0.00 -1.71 -0.04 -1.26 0.05 135.00 134.64 3hdi n PRO 242 Ca -0.20 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 3hdi n PRO 242 Cb 0.54 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 3hdi n PRO 242 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hdi n GLY 243 N 0.93 5.30 3.38 0.55 0.00 -0.08 -3.99 105.19 111.28 3hdi n GLY 243 Ca 0.12 -1.68 -0.25 0.00 0.00 0.00 0.00 46.02 44.21 3hdi n GLY 243 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hdi s LEU 244 N 0.00 2.43 0.16 0.99 1.43 -1.26 -4.51 118.68 117.92 3hdi s LEU 244 Ca 0.00 -0.86 -0.23 0.00 -1.03 0.00 0.00 54.13 52.01 3hdi s LEU 244 Cb 0.00 -1.03 -0.08 0.00 0.03 0.00 0.00 46.19 45.11 3hdi s LEU 244 CO 0.00 0.06 0.73 -2.16 0.23 0.00 0.00 176.35 175.21 3hdi s PRO 245 N -2.69 4.44 0.06 1.29 0.04 -1.23 -3.87 135.00 133.04 3hdi s PRO 245 Ca 0.18 1.03 -0.05 0.00 0.04 0.00 0.00 61.00 62.20 3hdi s PRO 245 Cb -0.07 -3.18 0.05 0.00 0.04 0.00 0.00 34.50 31.34 3hdi s PRO 245 CO 0.08 0.55 0.42 -0.89 0.04 0.00 0.00 177.00 177.20 3hdi n ILE 246 N 1.43 -0.15 -0.17 0.56 2.08 0.22 0.26 119.36 123.60 3hdi n ILE 246 Ca -0.06 0.64 -0.00 0.00 0.56 0.00 0.00 62.75 63.89 3hdi n ILE 246 Cb 0.49 -0.83 0.25 0.00 -0.75 0.00 0.00 39.64 38.80 3hdi n ILE 246 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 3hdi h GLY 247 N 0.00 0.96 -2.37 7.39 0.00 -1.83 -3.46 103.07 103.76 3hdi h GLY 247 Ca 0.08 -0.41 -0.32 0.00 0.00 0.00 0.00 47.33 46.69 3hdi h GLY 247 CO -0.27 0.40 -0.17 1.34 0.00 0.00 0.00 176.54 177.84 3hdi n ASP 248 N -4.39 -0.42 0.09 0.19 2.03 0.14 -4.85 116.55 109.35 3hdi n ASP 248 Ca 0.06 0.51 -0.04 0.00 0.52 0.00 0.00 54.79 55.85 3hdi n ASP 248 Cb 0.09 -0.42 0.15 0.00 -0.72 0.00 0.00 41.12 40.21 3hdi n ASP 248 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 3hdi h LYS 249 N 0.68 0.20 -1.30 -0.67 2.10 -1.89 -3.24 116.57 112.45 3hdi h LYS 249 Ca -0.15 -0.13 -0.24 0.00 -2.00 0.00 0.00 60.65 58.13 3hdi h LYS 249 Cb 0.65 0.02 -0.12 0.00 -0.90 0.00 0.00 32.23 31.88 3hdi h LYS 249 CO 0.27 0.72 0.30 -0.25 -2.00 0.00 0.00 179.45 178.49 3hdi n ASP 250 N -3.89 4.78 -0.03 7.07 8.00 -1.26 -4.37 116.55 126.85 3hdi n ASP 250 Ca -0.02 -2.79 -0.17 0.00 0.71 0.00 0.00 54.79 52.52 3hdi n ASP 250 Cb 0.59 -0.85 -0.07 0.00 -0.02 0.00 0.00 41.12 40.77 3hdi n ASP 250 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 3hdi h VAL 251 N 0.69 1.30 -0.02 2.53 -1.51 -1.92 -2.60 116.25 114.73 3hdi h VAL 251 Ca 0.25 -1.92 -0.03 0.00 -1.23 0.00 0.00 66.70 63.77 3hdi h VAL 251 Cb 1.34 2.02 -0.00 0.00 -2.13 0.00 0.00 31.29 32.51 3hdi h VAL 251 CO 0.53 0.60 -0.11 1.88 -1.23 0.00 0.00 177.57 179.24 3hdi h TYR 252 N 0.44 0.03 -0.60 5.19 0.05 -1.90 0.83 116.97 121.01 3hdi h TYR 252 Ca -0.05 -0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.65 3hdi h TYR 252 Cb 1.33 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 39.04 3hdi h TYR 252 CO 0.09 0.14 0.06 0.00 -1.05 0.00 0.00 178.16 177.41 3hdi h ALA 253 N 1.86 0.80 -0.33 3.88 0.00 -1.83 -1.92 119.26 121.72 3hdi h ALA 253 Ca 0.01 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.46 3hdi h ALA 253 Cb 0.22 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hdi h ALA 253 CO 0.01 0.58 -0.47 1.25 0.00 0.00 0.00 179.25 180.62 3hdi h LEU 254 N 0.91 0.99 -0.07 0.00 5.85 -0.85 -1.19 115.31 120.96 3hdi h LEU 254 Ca 0.18 -0.50 0.03 0.00 0.84 0.00 0.00 57.88 58.43 3hdi h LEU 254 Cb 0.47 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3hdi h LEU 254 CO 0.02 1.30 -0.13 0.58 -0.34 0.00 0.00 178.44 179.87 3hdi h VAL 255 N 0.72 0.67 -0.52 1.05 2.07 -0.66 0.12 116.25 119.69 3hdi h VAL 255 Ca 0.04 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 3hdi h VAL 255 Cb 1.08 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3hdi h VAL 255 CO 0.11 0.00 0.12 -0.07 0.02 0.00 0.00 177.57 177.75 3hdi h LEU 256 N -0.18 0.74 -1.05 2.57 3.38 -1.31 -1.63 115.31 117.84 3hdi h LEU 256 Ca 0.07 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3hdi h LEU 256 Cb 0.27 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3hdi h LEU 256 CO -0.18 0.74 -0.13 0.25 0.09 0.00 0.00 178.44 179.21 3hdi h LEU 257 N 0.77 0.51 -0.29 1.67 5.85 -0.50 -2.17 115.31 121.15 3hdi h LEU 257 Ca 0.17 -0.14 -0.20 0.00 0.84 0.00 0.00 57.88 58.55 3hdi h LEU 257 Cb 0.29 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3hdi h LEU 257 CO -0.00 0.67 -0.87 -1.13 -0.34 0.00 0.00 178.44 176.77 3hdi h ASN 258 N 0.48 0.32 -0.87 1.25 -1.24 -0.39 -2.18 115.58 112.96 3hdi h ASN 258 Ca 0.09 -0.25 -0.02 0.00 0.71 0.00 0.00 56.30 56.82 3hdi h ASN 258 Cb 0.52 -0.10 -0.04 0.00 0.73 0.00 0.00 38.32 39.43 3hdi h ASN 258 CO 0.03 1.04 0.46 -1.13 -1.29 0.00 0.00 177.43 176.54 3hdi h ASN 259 N 0.15 1.10 0.06 1.15 -0.73 -0.94 -0.49 115.58 115.89 3hdi h ASN 259 Ca -0.05 -0.11 -0.18 0.00 1.87 0.00 0.00 56.30 57.83 3hdi h ASN 259 Cb 1.49 -0.28 -0.00 0.00 0.27 0.00 0.00 38.32 39.79 3hdi h ASN 259 CO 0.14 0.90 -0.64 0.58 -0.37 0.00 0.00 177.43 178.03 3hdi h VAL 260 N 1.22 1.33 0.40 2.57 2.07 -1.36 -3.11 116.25 119.38 3hdi h VAL 260 Ca 0.30 -1.93 -0.02 0.00 0.82 0.00 0.00 66.70 65.87 3hdi h VAL 260 Cb 0.06 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3hdi h VAL 260 CO -0.05 0.60 -0.19 0.25 0.02 0.00 0.00 177.57 178.20 3hdi h LEU 261 N 0.40 -0.46 -1.61 2.57 5.85 -0.95 0.48 115.31 121.59 3hdi h LEU 261 Ca -0.01 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 3hdi h LEU 261 Cb 1.21 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 42.28 3hdi h LEU 261 CO 0.12 -0.27 -0.20 0.61 -0.34 0.00 0.00 178.44 178.36 3hdi n GLY 262 N -0.63 0.73 1.50 3.75 0.00 -0.77 -0.42 105.19 109.35 3hdi n GLY 262 Ca -0.07 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 45.99 3hdi n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hdi n GLY 263 N 0.02 2.50 1.70 -0.02 0.00 -0.26 -1.35 105.19 107.77 3hdi n GLY 263 Ca -0.14 -0.70 -0.02 0.00 0.00 0.00 0.00 46.02 45.16 3hdi n GLY 263 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hdi n SER 264 N 0.60 -0.79 0.04 1.61 3.41 -1.25 -4.81 113.62 112.44 3hdi n SER 264 Ca 0.21 -1.43 -0.20 0.00 -0.26 0.00 0.00 58.87 57.19 3hdi n SER 264 Cb 0.91 1.28 -0.11 0.00 -0.26 0.00 0.00 64.21 66.03 3hdi n SER 264 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3hdi h MET 265 N 0.00 0.65 0.00 4.33 2.86 -1.93 -3.12 114.93 117.73 3hdi h MET 265 Ca -0.12 -0.73 0.00 0.00 -2.06 0.00 0.00 59.70 56.79 3hdi h MET 265 Cb 0.53 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.40 3hdi h MET 265 CO 0.16 1.31 0.00 -1.13 1.06 0.00 0.00 176.91 178.31 3hdi n SER 266 N -3.90 0.00 -4.74 1.22 3.41 -1.26 -4.16 113.62 104.19 3hdi n SER 266 Ca -0.11 -0.99 -0.36 0.00 -0.26 0.00 0.00 58.87 57.14 3hdi n SER 266 Cb 0.87 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.88 3hdi n SER 266 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3hdi s SER 267 N -2.00 4.74 0.18 4.04 1.04 -1.18 -4.83 113.70 115.70 3hdi s SER 267 Ca 0.47 2.52 -0.14 0.00 0.48 0.00 0.00 55.95 59.29 3hdi s SER 267 Cb 0.22 -2.61 0.18 0.00 0.10 0.00 0.00 66.02 63.91 3hdi s SER 267 CO 0.36 -1.91 1.68 0.03 0.98 0.00 0.00 173.24 174.39 3hdi h ARG 268 N 0.56 0.10 -0.71 4.02 2.47 0.21 -2.01 114.38 119.02 3hdi h ARG 268 Ca -0.50 -0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.15 3hdi h ARG 268 Cb 1.32 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.59 3hdi h ARG 268 CO 0.53 0.07 0.20 -0.07 0.56 0.00 0.00 179.97 181.26 3hdi h LEU 269 N 0.10 1.05 -0.62 3.04 3.38 -0.97 0.28 115.31 121.57 3hdi h LEU 269 Ca 0.24 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3hdi h LEU 269 Cb 0.37 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3hdi h LEU 269 CO -0.42 0.99 0.03 0.15 0.09 0.00 0.00 178.44 179.28 3hdi h PHE 270 N 1.05 1.17 0.08 1.13 3.57 -1.69 -0.07 116.94 122.18 3hdi h PHE 270 Ca 0.23 -0.19 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 3hdi h PHE 270 Cb 0.33 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.76 3hdi h PHE 270 CO 0.03 1.02 -0.04 1.96 -2.23 0.00 0.00 178.31 179.05 3hdi h GLN 271 N 0.99 -0.10 0.23 1.11 1.08 -1.18 -0.35 115.11 116.88 3hdi h GLN 271 Ca 0.18 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 3hdi h GLN 271 Cb 0.53 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 3hdi h GLN 271 CO 0.03 0.45 -0.11 -0.44 -0.95 0.00 0.00 178.83 177.81 3hdi h ASP 272 N -0.88 -0.26 0.37 1.46 3.45 -0.48 -0.39 116.42 119.69 3hdi h ASP 272 Ca -0.01 -0.10 -0.32 0.00 0.43 0.00 0.00 57.03 57.03 3hdi h ASP 272 Cb 0.60 0.07 0.03 0.00 -0.56 0.00 0.00 39.33 39.46 3hdi h ASP 272 CO 0.02 -0.06 -1.43 0.40 -1.57 0.00 0.00 179.24 176.60 3hdi h ILE 273 N -0.46 1.33 0.00 0.35 1.08 -1.18 -3.10 117.51 115.53 3hdi h ILE 273 Ca -0.03 -2.80 -0.01 0.00 -0.39 0.00 0.00 64.86 61.62 3hdi h ILE 273 Cb 0.35 3.00 -0.00 0.00 -3.07 0.00 0.00 36.82 37.10 3hdi h ILE 273 CO 0.05 0.84 -1.02 -1.14 -0.69 0.00 0.00 178.15 176.19 3hdi n ARG 274 N -3.65 0.53 -0.10 2.37 0.63 -0.97 -2.28 116.66 113.19 3hdi n ARG 274 Ca -0.15 0.23 -0.07 0.00 -0.92 0.00 0.00 57.85 56.94 3hdi n ARG 274 Cb 1.08 -1.45 0.00 0.00 0.45 0.00 0.00 32.46 32.55 3hdi n ARG 274 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3hdi h GLU 275 N -1.00 0.32 0.03 -0.14 4.57 -1.01 -0.60 114.58 116.75 3hdi h GLU 275 Ca -0.02 -0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 57.98 3hdi h GLU 275 Cb 0.99 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.50 3hdi h GLU 275 CO -0.01 0.21 -0.83 0.87 -1.18 0.00 0.00 179.01 178.06 3hdi h LYS 276 N 0.33 0.07 0.00 1.92 1.57 -1.23 -3.40 116.57 115.83 3hdi h LYS 276 Ca 0.14 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 3hdi h LYS 276 Cb 0.07 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3hdi h LYS 276 CO -0.11 1.06 -0.95 0.00 -0.57 0.00 0.00 179.45 178.88 3hdi h ARG 277 N -0.81 0.00 -1.75 3.15 2.47 -1.66 -3.48 114.38 112.31 3hdi h ARG 277 Ca -0.21 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.21 3hdi h ARG 277 Cb 1.32 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.60 3hdi h ARG 277 CO -0.06 0.23 -0.36 0.41 0.56 0.00 0.00 179.97 180.76 3hdi n GLY 278 N 1.27 0.24 0.10 0.04 0.00 -0.23 -4.91 105.19 101.70 3hdi n GLY 278 Ca -0.03 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 3hdi n GLY 278 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hdi h LEU 279 N 0.00 0.30 -8.42 0.99 3.38 -1.64 -3.47 115.31 106.45 3hdi h LEU 279 Ca -0.34 -0.93 -0.59 0.00 0.09 0.00 0.00 57.88 56.11 3hdi h LEU 279 Cb 1.18 -0.10 -0.29 0.00 0.09 0.00 0.00 40.66 41.55 3hdi h LEU 279 CO 0.43 1.21 -0.85 0.00 0.09 0.00 0.00 178.44 179.32 3hdi h TYR 281 N 5.55 0.81 -3.23 0.00 5.03 -1.91 -3.41 116.97 119.82 3hdi h TYR 281 Ca -0.39 -0.59 -0.65 0.00 2.58 0.00 0.00 58.73 59.67 3hdi h TYR 281 Cb 1.14 -0.03 -0.36 0.00 1.55 0.00 0.00 36.73 39.03 3hdi h TYR 281 CO 0.41 1.50 -0.84 0.45 -1.32 0.00 0.00 178.16 178.35 3hdi s SER 282 N -7.42 3.29 -0.16 -2.11 0.15 -1.26 -5.08 113.70 101.10 3hdi s SER 282 Ca -0.08 -0.76 -0.08 0.00 0.70 0.00 0.00 55.95 55.72 3hdi s SER 282 Cb 0.05 -1.42 0.06 0.00 -1.71 0.00 0.00 66.02 63.00 3hdi s SER 282 CO 0.92 -0.05 0.38 0.68 1.20 0.00 0.00 173.24 176.37 3hdi s VAL 283 N 1.30 -0.07 0.23 4.45 -7.23 -1.26 -2.89 120.40 114.92 3hdi s VAL 283 Ca 0.02 0.11 -0.22 0.00 -1.81 0.00 0.00 61.98 60.08 3hdi s VAL 283 Cb -0.14 -0.58 0.05 0.00 0.56 0.00 0.00 36.38 36.27 3hdi s VAL 283 CO -0.11 0.05 0.88 0.72 -0.31 0.00 0.00 175.10 176.33 3hdi s PHE 284 N 1.48 -0.08 0.08 2.82 -0.12 -0.86 -4.69 117.98 116.60 3hdi s PHE 284 Ca -0.09 -0.34 0.02 0.00 -0.05 0.00 0.00 56.93 56.47 3hdi s PHE 284 Cb -0.09 0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 42.96 3hdi s PHE 284 CO -0.12 -1.07 -0.07 -1.54 -0.05 0.00 0.00 175.22 172.37 3hdi s SER 285 N -3.02 1.04 0.16 1.98 1.04 -0.45 -0.41 113.70 114.04 3hdi s SER 285 Ca 0.14 -0.86 -0.19 0.00 0.48 0.00 0.00 55.95 55.52 3hdi s SER 285 Cb -0.03 0.08 0.04 0.00 0.10 0.00 0.00 66.02 66.21 3hdi s SER 285 CO 0.05 -0.39 0.51 -0.72 0.98 0.00 0.00 173.24 173.68 3hdi s TYR 286 N -2.91 -0.28 0.05 5.02 -0.85 0.22 -4.28 117.35 114.32 3hdi s TYR 286 Ca 0.05 -0.02 0.09 0.00 -0.52 0.00 0.00 57.07 56.67 3hdi s TYR 286 Cb 0.00 0.41 -0.03 0.00 0.38 0.00 0.00 41.96 42.72 3hdi s TYR 286 CO -0.03 -0.83 -0.25 -3.38 -1.52 0.00 0.00 175.55 169.53 3hdi s HIS 287 N -3.81 2.22 -0.19 -3.49 -3.43 -1.26 0.90 115.29 106.22 3hdi s HIS 287 Ca 0.05 -0.40 0.01 0.00 -0.80 0.00 0.00 55.06 53.91 3hdi s HIS 287 Cb -0.00 -1.32 0.03 0.00 -1.43 0.00 0.00 32.58 29.86 3hdi s HIS 287 CO -0.09 0.13 -0.17 -1.12 -2.00 0.00 0.00 174.74 171.50 3hdi s SER 288 N -1.29 3.37 -0.15 7.38 0.01 0.55 -4.97 113.70 118.60 3hdi s SER 288 Ca 0.11 -0.80 -0.02 0.00 1.31 0.00 0.00 55.95 56.55 3hdi s SER 288 Cb -0.10 -1.45 -0.02 0.00 0.21 0.00 0.00 66.02 64.67 3hdi s SER 288 CO 0.02 -0.05 -0.08 -0.44 0.41 0.00 0.00 173.24 173.10 3hdi s SER 289 N 1.28 4.40 0.00 2.44 0.01 -1.26 -0.10 113.70 120.47 3hdi s SER 289 Ca 0.02 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.04 3hdi s SER 289 Cb -0.15 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.38 3hdi s SER 289 CO -0.11 0.15 0.00 0.49 0.41 0.00 0.00 173.24 174.18 3hdi n PHE 290 N 3.63 -0.24 0.23 2.43 3.01 0.24 -4.49 117.46 122.27 3hdi n PHE 290 Ca -0.18 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.15 3hdi n PHE 290 Cb 0.52 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.92 3hdi n PHE 290 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 3hdi h ARG 291 N 0.00 -0.58 0.00 -1.08 2.43 -1.95 0.64 114.38 113.83 3hdi h ARG 291 Ca 0.00 0.04 -0.28 0.00 -0.81 0.00 0.00 59.98 58.93 3hdi h ARG 291 Cb 0.00 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 3hdi h ARG 291 CO 0.00 -0.27 -2.11 -0.40 -1.51 0.00 0.00 179.97 175.68 3hdi n ASP 292 N -5.22 0.92 -3.29 -3.80 5.68 -1.26 -4.48 116.55 105.09 3hdi n ASP 292 Ca -0.10 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.04 3hdi n ASP 292 Cb 0.30 0.98 -0.02 0.00 -1.14 0.00 0.00 41.12 41.24 3hdi n ASP 292 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3hdi n SER 293 N -2.57 2.40 -3.59 -1.12 2.88 -1.26 -4.62 113.62 105.74 3hdi n SER 293 Ca -0.25 -2.00 0.02 0.00 -1.33 0.00 0.00 58.87 55.30 3hdi n SER 293 Cb 0.99 0.11 -0.01 0.00 -0.75 0.00 0.00 64.21 64.56 3hdi n SER 293 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3hdi s GLY 294 N -2.47 -0.43 -0.26 0.46 0.00 -1.25 -0.59 107.32 102.79 3hdi s GLY 294 Ca 0.05 0.95 -0.27 0.00 0.00 0.00 0.00 44.72 45.44 3hdi s GLY 294 CO 0.03 0.21 1.19 -3.16 0.00 0.00 0.00 173.10 171.37 3hdi s MET 295 N -2.25 0.33 -0.08 2.90 0.23 0.86 -0.90 119.30 120.39 3hdi s MET 295 Ca 0.14 0.24 -0.17 0.00 -1.03 0.00 0.00 55.69 54.87 3hdi s MET 295 Cb 0.05 0.16 -0.05 0.00 -1.53 0.00 0.00 34.83 33.46 3hdi s MET 295 CO -0.05 -0.07 0.44 -1.17 -2.03 0.00 0.00 175.02 172.14 3hdi s LEU 296 N -0.38 4.34 -0.02 0.18 2.96 0.11 -0.33 118.68 125.53 3hdi s LEU 296 Ca 0.04 0.83 0.06 0.00 -0.22 0.00 0.00 54.13 54.84 3hdi s LEU 296 Cb -0.03 -2.63 -0.02 0.00 0.50 0.00 0.00 46.19 44.01 3hdi s LEU 296 CO -0.07 0.12 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.99 3hdi s THR 297 N 0.06 1.58 -0.06 3.68 2.01 0.26 -0.50 115.64 122.66 3hdi s THR 297 Ca 0.24 -0.85 0.05 0.00 0.31 0.00 0.00 61.69 61.44 3hdi s THR 297 Cb -0.15 -1.31 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 3hdi s THR 297 CO 0.11 0.45 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.62 3hdi s ILE 298 N -0.45 1.96 0.10 1.82 1.01 -0.48 -0.61 121.20 124.56 3hdi s ILE 298 Ca 0.07 -1.01 0.10 0.00 0.00 0.00 0.00 60.65 59.82 3hdi s ILE 298 Cb -0.08 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 3hdi s ILE 298 CO -0.01 0.55 -0.25 -0.47 0.00 0.00 0.00 174.94 174.76 3hdi s TYR 299 N -0.04 2.37 -0.07 3.97 5.04 0.46 -1.44 117.35 127.64 3hdi s TYR 299 Ca -0.06 -0.36 -0.31 0.00 -2.44 0.00 0.00 57.07 53.90 3hdi s TYR 299 Cb -0.14 -1.31 0.07 0.00 0.35 0.00 0.00 41.96 40.93 3hdi s TYR 299 CO 0.04 0.29 0.70 0.00 -1.34 0.00 0.00 175.55 175.25 3hdi s ALA 300 N -1.01 -1.78 -0.08 3.97 0.00 -0.35 -2.03 121.76 120.48 3hdi s ALA 300 Ca 0.14 1.37 -0.04 0.00 0.00 0.00 0.00 51.96 53.44 3hdi s ALA 300 Cb -0.10 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 22.97 3hdi s ALA 300 CO 0.06 -0.37 0.18 0.20 0.00 0.00 0.00 175.76 175.83 3hdi s GLY 301 N -1.10 -0.05 0.16 0.00 0.00 -1.14 -0.61 107.32 104.57 3hdi s GLY 301 Ca -0.10 0.75 -0.05 0.00 0.00 0.00 0.00 44.72 45.32 3hdi s GLY 301 CO 0.09 1.20 0.18 -1.08 0.00 0.00 0.00 173.10 173.49 3hdi s THR 302 N 1.41 0.07 0.48 0.90 -1.32 -1.08 -4.26 115.64 111.85 3hdi s THR 302 Ca -0.07 -1.66 -0.24 0.00 -1.21 0.00 0.00 61.69 58.51 3hdi s THR 302 Cb -0.11 -1.99 -0.07 0.00 -1.51 0.00 0.00 72.50 68.81 3hdi s THR 302 CO -0.07 -0.34 1.40 -0.83 -2.21 0.00 0.00 174.62 172.58 3hdi s GLY 303 N -3.02 2.91 0.18 6.08 0.00 -1.26 0.57 107.32 112.78 3hdi s GLY 303 Ca 0.22 1.42 -0.26 0.00 0.00 0.00 0.00 44.72 46.10 3hdi s GLY 303 CO 0.02 2.00 1.56 0.45 0.00 0.00 0.00 173.10 177.13 3hdi h HIS 304 N 2.06 -1.39 0.00 1.90 -0.00 -1.87 0.18 115.15 116.02 3hdi h HIS 304 Ca -0.51 0.10 0.00 0.00 -0.00 0.00 0.00 60.37 59.96 3hdi h HIS 304 Cb 1.28 0.71 0.00 0.00 -0.00 0.00 0.00 27.41 29.40 3hdi h HIS 304 CO 0.49 -0.41 0.23 -0.40 -0.00 0.00 0.00 177.93 177.83 3hdi n ASP 305 N -5.39 0.00 -0.25 2.45 5.75 -1.26 -0.56 116.55 117.29 3hdi n ASP 305 Ca 0.03 0.27 0.03 0.00 -0.01 0.00 0.00 54.79 55.11 3hdi n ASP 305 Cb 0.34 -0.27 0.05 0.00 -1.03 0.00 0.00 41.12 40.20 3hdi n ASP 305 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hdi n GLN 306 N -1.28 1.26 -0.08 0.11 6.02 0.62 -4.78 117.38 119.25 3hdi n GLN 306 Ca -0.00 -1.26 -0.07 0.00 -0.01 0.00 0.00 57.00 55.66 3hdi n GLN 306 Cb 0.23 -1.11 -0.01 0.00 1.02 0.00 0.00 30.24 30.37 3hdi n GLN 306 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3hdi h LEU 307 N 0.99 -0.20 -1.26 1.08 5.85 -0.79 -1.82 115.31 119.16 3hdi h LEU 307 Ca 0.00 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.84 3hdi h LEU 307 Cb 0.40 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 3hdi h LEU 307 CO 0.00 -0.06 0.52 0.44 -0.34 0.00 0.00 178.44 179.00 3hdi h ASP 308 N 0.04 0.83 -0.15 1.25 5.19 -1.86 -1.87 116.42 119.84 3hdi h ASP 308 Ca 0.14 -0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.41 3hdi h ASP 308 Cb 0.20 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 3hdi h ASP 308 CO -0.27 0.56 -0.37 -0.78 -3.12 0.00 0.00 179.24 175.26 3hdi h ASP 309 N 0.96 0.71 -0.39 6.45 3.58 -1.80 -2.85 116.42 123.08 3hdi h ASP 309 Ca 0.32 -0.31 -0.03 0.00 0.42 0.00 0.00 57.03 57.43 3hdi h ASP 309 Cb 0.07 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 3hdi h ASP 309 CO -0.10 1.01 0.11 0.25 -2.88 0.00 0.00 179.24 177.64 3hdi h LEU 310 N 0.56 0.57 -0.66 2.28 5.85 -0.59 -0.15 115.31 123.18 3hdi h LEU 310 Ca 0.05 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3hdi h LEU 310 Cb 0.89 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3hdi h LEU 310 CO 0.08 0.63 0.43 0.58 -0.34 0.00 0.00 178.44 179.81 3hdi h VAL 311 N 0.48 1.17 0.25 1.05 2.07 -1.36 0.39 116.25 120.30 3hdi h VAL 311 Ca 0.12 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3hdi h VAL 311 Cb 0.27 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3hdi h VAL 311 CO -0.00 0.17 -0.12 1.88 0.02 0.00 0.00 177.57 179.52 3hdi h TYR 312 N 0.89 -0.31 -0.90 1.57 0.99 -1.33 -0.29 116.97 117.59 3hdi h TYR 312 Ca 0.24 -0.01 0.12 0.00 2.00 0.00 0.00 58.73 61.08 3hdi h TYR 312 Cb -0.08 0.10 -0.08 0.00 1.00 0.00 0.00 36.73 37.66 3hdi h TYR 312 CO -0.02 -0.05 0.53 0.77 -0.00 0.00 0.00 178.16 179.38 3hdi h SER 313 N -0.53 0.74 -0.42 3.88 0.02 -0.82 0.48 113.55 116.90 3hdi h SER 313 Ca -0.03 0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 60.83 3hdi h SER 313 Cb 0.39 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3hdi h SER 313 CO 0.06 0.38 -0.28 0.40 -1.14 0.00 0.00 176.83 176.25 3hdi h ILE 314 N 0.83 1.27 -0.30 3.27 2.04 -0.82 -2.24 117.51 121.55 3hdi h ILE 314 Ca 0.45 -1.45 0.03 0.00 1.00 0.00 0.00 64.86 64.90 3hdi h ILE 314 Cb 0.49 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 3hdi h ILE 314 CO -0.28 0.49 0.09 -0.61 0.00 0.00 0.00 178.15 177.84 3hdi h GLN 315 N 0.80 0.21 -0.39 2.37 5.75 0.35 0.11 115.11 124.32 3hdi h GLN 315 Ca 0.09 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.60 3hdi h GLN 315 Cb 0.86 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.34 3hdi h GLN 315 CO 0.08 0.14 0.22 1.49 -2.65 0.00 0.00 178.83 178.11 3hdi h GLU 316 N 0.22 0.43 -0.41 1.69 4.22 -0.86 -1.80 114.58 118.07 3hdi h GLU 316 Ca 0.14 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.54 3hdi h GLU 316 Cb 0.11 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3hdi h GLU 316 CO -0.15 0.28 0.21 1.15 -2.18 0.00 0.00 179.01 178.32 3hdi h THR 317 N 0.44 1.16 0.00 0.32 2.02 -0.76 -2.54 112.91 113.56 3hdi h THR 317 Ca 0.16 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3hdi h THR 317 Cb 0.02 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3hdi h THR 317 CO -0.08 0.18 0.00 0.71 0.37 0.00 0.00 175.52 176.69 3hdi h THR 318 N 0.52 0.00 0.00 3.16 1.35 -0.57 -3.10 112.91 114.26 3hdi h THR 318 Ca 0.14 -0.33 -0.01 0.00 -0.55 0.00 0.00 66.41 65.65 3hdi h THR 318 Cb 0.09 1.17 -0.00 0.00 -1.73 0.00 0.00 68.15 67.68 3hdi h THR 318 CO -0.02 0.00 -0.13 0.28 -0.25 0.00 0.00 175.52 175.40 3hdi h SER 319 N 0.00 0.00 0.00 5.36 0.02 -0.93 -2.56 113.55 115.44 3hdi h SER 319 Ca 0.00 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3hdi h SER 319 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3hdi h SER 319 CO 0.00 0.71 0.01 0.00 -1.14 0.00 0.00 176.83 176.41 3hdi n ALA 320 N -2.87 1.02 -0.10 3.77 0.00 -1.03 0.41 120.51 121.71 3hdi n ALA 320 Ca -0.05 0.12 -0.18 0.00 0.00 0.00 0.00 53.44 53.33 3hdi n ALA 320 Cb 0.19 -1.18 -0.09 0.00 0.00 0.00 0.00 19.45 18.37 3hdi n ALA 320 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3hdi n LEU 321 N -1.95 1.85 0.02 0.00 7.94 -1.17 -2.88 117.00 120.80 3hdi n LEU 321 Ca -0.01 0.47 0.01 0.00 -1.11 0.00 0.00 56.01 55.37 3hdi n LEU 321 Cb 0.03 -0.94 0.34 0.00 0.53 0.00 0.00 43.42 43.37 3hdi n LEU 321 CO 0.06 0.10 0.98 0.00 -1.11 0.00 0.00 177.39 177.42 3hdi h ALA 322 N -0.63 1.47 0.00 1.96 0.00 -0.82 -0.56 119.26 120.68 3hdi h ALA 322 Ca -0.27 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3hdi h ALA 322 Cb 1.12 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3hdi h ALA 322 CO -0.17 0.39 -0.01 0.93 0.00 0.00 0.00 179.25 180.39 3hdi h GLU 323 N 0.47 0.00 0.02 0.00 4.39 -0.23 -3.25 114.58 115.98 3hdi h GLU 323 Ca 0.11 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.61 3hdi h GLU 323 Cb 0.25 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 3hdi h GLU 323 CO 0.00 0.00 -0.92 0.87 -1.16 0.00 0.00 179.01 177.80 3hdi h LYS 324 N -0.30 0.12 0.00 2.33 1.57 -1.65 -3.49 116.57 115.15 3hdi h LYS 324 Ca 0.00 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3hdi h LYS 324 Cb 0.01 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3hdi h LYS 324 CO 0.00 0.96 0.00 0.41 -0.57 0.00 0.00 179.45 180.25 3hdi n GLY 325 N 1.02 -1.11 3.95 3.86 0.00 -0.22 -4.98 105.19 107.70 3hdi n GLY 325 Ca -0.03 -1.57 -0.24 0.00 0.00 0.00 0.00 46.02 44.18 3hdi n GLY 325 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hdi s LEU 326 N 0.00 2.96 0.35 0.99 1.43 -1.26 -4.76 118.68 118.39 3hdi s LEU 326 Ca 0.00 0.25 0.09 0.00 -1.03 0.00 0.00 54.13 53.44 3hdi s LEU 326 Cb 0.00 -2.93 -0.06 0.00 0.03 0.00 0.00 46.19 43.23 3hdi s LEU 326 CO 0.00 -1.52 -0.00 0.42 0.23 0.00 0.00 176.35 175.48 3hdi s THR 327 N -3.11 2.46 0.25 5.49 -4.23 -1.26 -5.03 115.64 110.21 3hdi s THR 327 Ca 0.60 -2.02 0.03 0.00 -1.18 0.00 0.00 61.69 59.13 3hdi s THR 327 Cb -0.10 -2.79 -0.00 0.00 1.34 0.00 0.00 72.50 70.95 3hdi s THR 327 CO 0.43 -0.17 1.62 -0.08 -0.54 0.00 0.00 174.62 175.88 3hdi h GLU 328 N 1.83 0.34 -0.46 3.99 4.57 -2.00 -2.07 114.58 120.78 3hdi h GLU 328 Ca -0.43 -0.19 -0.13 0.00 -1.18 0.00 0.00 59.36 57.43 3hdi h GLU 328 Cb 1.25 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 3hdi h GLU 328 CO 0.69 0.75 -0.23 -0.22 -1.18 0.00 0.00 179.01 178.82 3hdi h LYS 329 N 0.27 0.98 -0.26 1.92 1.63 -1.99 -2.81 116.57 116.31 3hdi h LYS 329 Ca 0.02 -0.43 -0.05 0.00 -0.85 0.00 0.00 60.65 59.33 3hdi h LYS 329 Cb 0.95 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.54 3hdi h LYS 329 CO 0.08 1.10 -0.05 0.93 -3.45 0.00 0.00 179.45 178.06 3hdi h GLU 330 N 0.82 0.49 -0.58 1.90 5.08 -1.95 -0.91 114.58 119.44 3hdi h GLU 330 Ca 0.10 -0.18 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3hdi h GLU 330 Cb 0.81 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 3hdi h GLU 330 CO 0.07 0.70 0.28 1.25 -1.00 0.00 0.00 179.01 180.31 3hdi h LEU 331 N 0.24 0.38 -0.46 1.33 5.85 -1.37 0.12 115.31 121.40 3hdi h LEU 331 Ca 0.07 0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.66 3hdi h LEU 331 Cb 0.51 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 3hdi h LEU 331 CO 0.02 0.25 -0.59 -0.08 -0.34 0.00 0.00 178.44 177.70 3hdi h GLU 332 N 0.53 0.58 -0.90 1.25 4.57 -1.44 -2.11 114.58 117.05 3hdi h GLU 332 Ca 0.27 -0.38 0.01 0.00 -1.18 0.00 0.00 59.36 58.07 3hdi h GLU 332 Cb 0.21 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 3hdi h GLU 332 CO -0.20 1.00 0.58 -0.97 -1.18 0.00 0.00 179.01 178.24 3hdi h ASN 333 N 0.43 1.04 -0.36 1.04 -0.00 -0.45 0.10 115.58 117.38 3hdi h ASN 333 Ca -0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.26 3hdi h ASN 333 Cb 1.15 -0.26 -0.02 0.00 -0.00 0.00 0.00 38.32 39.19 3hdi h ASN 333 CO 0.11 0.77 0.23 1.23 -0.00 0.00 0.00 177.43 179.77 3hdi h GLY 334 N 1.22 0.52 0.93 1.57 0.00 -0.57 -2.02 103.07 104.72 3hdi h GLY 334 Ca 0.33 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 3hdi h GLY 334 CO -0.07 0.20 0.14 0.50 0.00 0.00 0.00 176.54 177.32 3hdi h LYS 335 N 0.48 0.55 -1.00 4.80 1.57 -0.65 -1.38 116.57 120.95 3hdi h LYS 335 Ca 0.13 -0.10 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 3hdi h LYS 335 Cb -0.02 -0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.13 3hdi h LYS 335 CO -0.03 0.53 0.64 0.93 -0.57 0.00 0.00 179.45 180.95 3hdi h GLU 336 N 0.44 1.04 0.54 3.15 4.39 -0.65 0.12 114.58 123.61 3hdi h GLU 336 Ca 0.12 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 3hdi h GLU 336 Cb 0.19 -0.23 0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3hdi h GLU 336 CO -0.01 0.69 -0.26 0.37 -1.16 0.00 0.00 179.01 178.64 3hdi h GLN 337 N 1.07 -0.70 -0.46 2.33 4.15 -1.07 0.64 115.11 121.06 3hdi h GLN 337 Ca 0.46 0.05 0.08 0.00 0.77 0.00 0.00 58.65 60.01 3hdi h GLN 337 Cb 0.34 0.16 -0.07 0.00 0.21 0.00 0.00 27.48 28.12 3hdi h GLN 337 CO -0.22 -0.40 0.05 -0.07 -1.93 0.00 0.00 178.83 176.27 3hdi h LEU 338 N -1.03 -0.08 -0.45 -2.39 3.38 -0.94 0.24 115.31 114.04 3hdi h LEU 338 Ca -0.07 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3hdi h LEU 338 Cb 0.63 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3hdi h LEU 338 CO 0.12 -0.01 0.14 0.11 0.09 0.00 0.00 178.44 178.90 3hdi h LYS 339 N 0.18 0.70 -0.24 1.13 1.57 -1.02 -1.75 116.57 117.12 3hdi h LYS 339 Ca 0.23 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3hdi h LYS 339 Cb 0.32 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3hdi h LYS 339 CO -0.34 0.67 0.16 0.78 -0.57 0.00 0.00 179.45 180.15 3hdi h GLY 340 N 0.59 0.34 0.95 3.86 0.00 0.25 -0.59 103.07 108.47 3hdi h GLY 340 Ca 0.15 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 3hdi h GLY 340 CO -0.01 0.13 0.00 1.48 0.00 0.00 0.00 176.54 178.15 3hdi h SER 341 N 0.33 0.69 -0.66 0.19 4.64 -0.53 -1.86 113.55 116.35 3hdi h SER 341 Ca 0.09 -0.30 0.05 0.00 -0.47 0.00 0.00 61.79 61.15 3hdi h SER 341 Cb -0.03 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 61.83 3hdi h SER 341 CO -0.02 0.83 0.38 0.25 -0.87 0.00 0.00 176.83 177.40 3hdi h LEU 342 N 0.54 0.59 -0.50 5.97 6.46 -1.14 -0.05 115.31 127.17 3hdi h LEU 342 Ca 0.11 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.89 3hdi h LEU 342 Cb 0.47 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 3hdi h LEU 342 CO 0.02 0.39 0.28 0.24 -0.62 0.00 0.00 178.44 178.76 3hdi h MET 343 N 0.72 0.69 0.00 1.25 2.86 -0.95 -2.68 114.93 116.83 3hdi h MET 343 Ca 0.28 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.80 3hdi h MET 343 Cb 0.12 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3hdi h MET 343 CO -0.15 0.53 -0.24 -0.07 1.06 0.00 0.00 176.91 178.04 3hdi h LEU 344 N 0.67 0.00 -0.30 1.22 3.38 -0.58 -2.75 115.31 116.95 3hdi h LEU 344 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3hdi h LEU 344 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3hdi h LEU 344 CO -0.03 0.24 0.00 -1.54 0.09 0.00 0.00 178.44 177.20 3hdi n SER 345 N -4.06 0.66 0.00 -0.43 3.41 -0.10 -3.38 113.62 109.72 3hdi n SER 345 Ca -0.02 0.61 0.05 0.00 -0.26 0.00 0.00 58.87 59.25 3hdi n SER 345 Cb 0.31 -0.77 0.29 0.00 -0.26 0.00 0.00 64.21 63.78 3hdi n SER 345 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hdi n LEU 346 N -2.17 0.00 0.01 1.04 4.77 -1.04 -1.82 117.00 117.79 3hdi n LEU 346 Ca 0.04 0.05 0.11 0.00 -0.03 0.00 0.00 56.01 56.18 3hdi n LEU 346 Cb 0.33 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 3hdi n LEU 346 CO 0.25 -0.04 -0.08 -0.62 -1.33 0.00 0.00 177.39 175.57 3hdi n GLU 347 N -1.05 0.25 -3.86 3.23 1.02 -1.22 -4.89 120.64 114.12 3hdi n GLU 347 Ca 0.07 -0.03 -0.35 0.00 -0.02 0.00 0.00 57.16 56.83 3hdi n GLU 347 Cb 0.04 -1.56 -0.09 0.00 -0.02 0.00 0.00 31.44 29.81 3hdi n GLU 347 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3hdi s SER 348 N -3.72 5.85 0.11 1.62 0.15 -0.76 -4.99 113.70 111.96 3hdi s SER 348 Ca 0.04 0.12 -0.13 0.00 0.70 0.00 0.00 55.95 56.67 3hdi s SER 348 Cb 0.15 -2.02 -0.10 0.00 -1.71 0.00 0.00 66.02 62.34 3hdi s SER 348 CO 0.83 0.15 1.39 0.71 1.20 0.00 0.00 173.24 177.51 3hdi h THR 349 N 4.87 1.29 -0.67 6.45 1.35 -1.90 -2.61 112.91 121.69 3hdi h THR 349 Ca -0.38 -1.69 0.03 0.00 -0.55 0.00 0.00 66.41 63.82 3hdi h THR 349 Cb 1.16 1.69 -0.04 0.00 -1.73 0.00 0.00 68.15 69.23 3hdi h THR 349 CO 0.71 0.54 0.42 0.78 -0.25 0.00 0.00 175.52 177.72 3hdi h ASN 350 N 0.56 0.68 -0.44 5.36 2.35 -1.94 0.12 115.58 122.28 3hdi h ASN 350 Ca 0.01 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.84 3hdi h ASN 350 Cb 1.10 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 39.26 3hdi h ASN 350 CO 0.11 0.47 0.06 -1.28 -1.65 0.00 0.00 177.43 175.14 3hdi h SER 351 N 0.82 -0.06 -0.01 5.81 0.87 -1.82 0.65 113.55 119.80 3hdi h SER 351 Ca 0.27 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.91 3hdi h SER 351 Cb 0.02 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 3hdi h SER 351 CO -0.11 0.00 -0.02 0.03 -0.53 0.00 0.00 176.83 176.20 3hdi h ARG 352 N 0.18 0.04 -0.31 2.24 3.08 -1.06 -1.60 114.38 116.95 3hdi h ARG 352 Ca 0.21 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.31 3hdi h ARG 352 Cb 0.29 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.26 3hdi h ARG 352 CO -0.31 0.55 -0.31 1.98 -1.07 0.00 0.00 179.97 180.81 3hdi h MET 353 N -0.46 -0.28 -0.18 0.04 4.05 -0.40 0.80 114.93 118.49 3hdi h MET 353 Ca 0.00 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.47 3hdi h MET 353 Cb 0.54 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.37 3hdi h MET 353 CO 0.00 -0.18 -0.01 1.03 0.23 0.00 0.00 176.91 177.98 3hdi h SER 354 N -0.29 -0.09 0.45 1.39 0.87 0.27 -1.39 113.55 114.76 3hdi h SER 354 Ca 0.15 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3hdi h SER 354 Cb 0.53 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 3hdi h SER 354 CO -0.47 -0.02 -0.43 -0.09 -0.53 0.00 0.00 176.83 175.29 3hdi h ARG 355 N 0.05 -0.85 -0.27 2.24 2.43 -0.62 -1.65 114.38 115.71 3hdi h ARG 355 Ca 0.08 0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 3hdi h ARG 355 Cb 0.11 0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 29.78 3hdi h ARG 355 CO -0.15 -0.57 -0.50 -0.91 -1.51 0.00 0.00 179.97 176.34 3hdi h ASN 356 N -0.88 -1.61 -0.52 -3.80 2.35 -0.74 -1.05 115.58 109.33 3hdi h ASN 356 Ca -0.04 0.21 0.01 0.00 -0.55 0.00 0.00 56.30 55.93 3hdi h ASN 356 Cb 0.78 0.66 -0.03 0.00 0.05 0.00 0.00 38.32 39.78 3hdi h ASN 356 CO -0.06 -0.43 0.35 1.23 -1.65 0.00 0.00 177.43 176.87 3hdi h GLY 357 N -0.46 0.73 1.11 2.83 0.00 -1.22 -1.41 103.07 104.65 3hdi h GLY 357 Ca 0.08 -0.27 -0.18 0.00 0.00 0.00 0.00 47.33 46.95 3hdi h GLY 357 CO -0.50 0.26 -0.57 1.70 0.00 0.00 0.00 176.54 177.42 3hdi h LYS 358 N 0.69 0.81 -0.17 4.80 3.64 -0.62 -2.17 116.57 123.55 3hdi h LYS 358 Ca 0.19 -0.55 -0.22 0.00 -1.27 0.00 0.00 60.65 58.80 3hdi h LYS 358 Cb -0.06 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3hdi h LYS 358 CO -0.04 1.18 -0.76 -0.91 -2.27 0.00 0.00 179.45 176.65 3hdi h ASN 359 N 0.56 0.94 -0.38 4.20 2.35 -1.02 0.14 115.58 122.37 3hdi h ASN 359 Ca -0.00 -0.61 -0.03 0.00 -0.55 0.00 0.00 56.30 55.11 3hdi h ASN 359 Cb 1.19 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.26 3hdi h ASN 359 CO 0.13 1.41 0.15 -0.08 -1.65 0.00 0.00 177.43 177.38 3hdi h GLU 360 N 0.55 0.63 0.04 0.81 4.57 -1.26 0.85 114.58 120.78 3hdi h GLU 360 Ca -0.05 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 57.99 3hdi h GLU 360 Cb 1.38 -0.11 0.01 0.00 -0.16 0.00 0.00 28.75 29.87 3hdi h GLU 360 CO 0.16 0.55 -0.24 1.25 -1.18 0.00 0.00 179.01 179.55 3hdi h LEU 361 N 0.63 0.14 -1.85 1.64 5.85 -1.29 -2.40 115.31 118.02 3hdi h LEU 361 Ca 0.15 -0.98 0.00 0.00 0.84 0.00 0.00 57.88 57.89 3hdi h LEU 361 Cb 0.17 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3hdi h LEU 361 CO -0.01 1.11 0.00 0.18 -0.34 0.00 0.00 178.44 179.38 3hdi n LEU 362 N -4.47 2.81 0.00 2.25 4.77 0.49 -4.33 117.00 118.52 3hdi n LEU 362 Ca -0.11 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 3hdi n LEU 362 Cb 0.58 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3hdi n LEU 362 CO 0.38 0.55 -0.03 0.18 -1.33 0.00 0.00 177.39 177.14 3hdi n LEU 363 N 1.11 0.00 -1.76 2.23 4.77 0.29 -4.73 117.00 118.91 3hdi n LEU 363 Ca 0.17 -0.06 -0.16 0.00 -0.03 0.00 0.00 56.01 55.93 3hdi n LEU 363 Cb 0.53 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 3hdi n LEU 363 CO 0.15 0.00 -0.17 1.17 -1.33 0.00 0.00 177.39 177.21 3hdi n LYS 364 N -0.21 -1.55 -4.15 3.23 0.00 -0.56 -4.89 118.16 110.02 3hdi n LYS 364 Ca 0.00 0.88 -0.12 0.00 0.00 0.00 0.00 58.31 59.07 3hdi n LYS 364 Cb 0.00 -5.28 -0.11 0.00 0.00 0.00 0.00 35.03 29.64 3hdi n LYS 364 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3hdi s LYS 365 N -3.86 0.76 -0.13 1.64 2.47 -1.22 -4.97 119.74 114.43 3hdi s LYS 365 Ca 0.00 -1.14 0.03 0.00 -1.56 0.00 0.00 55.97 53.30 3hdi s LYS 365 Cb 0.00 -0.34 0.01 0.00 -1.46 0.00 0.00 37.83 36.04 3hdi s LYS 365 CO 0.00 0.03 -0.22 -3.38 0.16 0.00 0.00 175.35 171.94 3hdi s HIS 366 N -2.69 2.62 -0.22 4.03 0.00 -1.26 -3.35 115.29 114.43 3hdi s HIS 366 Ca 0.04 -1.26 -0.03 0.00 -3.00 0.00 0.00 55.06 50.81 3hdi s HIS 366 Cb -0.01 -1.78 -0.00 0.00 -4.00 0.00 0.00 32.58 26.79 3hdi s HIS 366 CO -0.02 -0.56 -0.07 1.03 -1.00 0.00 0.00 174.74 174.12 3hdi s ARG 367 N 0.70 3.31 0.86 -0.38 0.52 -1.26 -5.11 118.95 117.59 3hdi s ARG 367 Ca -0.10 -0.66 -0.12 0.00 -0.52 0.00 0.00 55.73 54.32 3hdi s ARG 367 Cb -0.16 -2.94 0.11 0.00 0.52 0.00 0.00 34.95 32.48 3hdi s ARG 367 CO 0.01 -0.20 1.16 0.45 0.02 0.00 0.00 175.30 176.74 3hdi s SER 368 N 1.45 3.98 0.00 0.23 0.15 -1.26 -4.80 113.70 113.45 3hdi s SER 368 Ca 0.06 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.55 3hdi s SER 368 Cb -0.14 -1.36 0.00 0.00 -1.71 0.00 0.00 66.02 62.80 3hdi s SER 368 CO -0.05 -2.25 0.93 -0.11 1.20 0.00 0.00 173.24 172.96 3hdi n LEU 369 N -3.55 0.00 -0.33 3.45 7.94 -1.26 -0.87 117.00 122.39 3hdi n LEU 369 Ca 0.08 0.93 0.27 0.00 -1.11 0.00 0.00 56.01 56.17 3hdi n LEU 369 Cb 0.60 -0.43 0.51 0.00 0.53 0.00 0.00 43.42 44.64 3hdi n LEU 369 CO 0.57 -0.43 1.05 0.44 -1.11 0.00 0.00 177.39 177.91 3hdi h ASP 370 N 0.00 0.29 -0.35 1.96 3.45 -1.98 0.55 116.42 120.33 3hdi h ASP 370 Ca 0.00 0.24 -0.02 0.00 0.43 0.00 0.00 57.03 57.68 3hdi h ASP 370 Cb 0.00 0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 39.00 3hdi h ASP 370 CO 0.00 -0.33 0.15 -0.33 -1.57 0.00 0.00 179.24 177.17 3hdi h GLU 371 N 0.11 0.52 -0.37 3.56 5.08 -1.81 0.57 114.58 122.24 3hdi h GLU 371 Ca 0.78 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.91 3hdi h GLU 371 Cb 1.92 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.08 3hdi h GLU 371 CO -0.73 0.49 -0.30 0.52 -1.00 0.00 0.00 179.01 177.99 3hdi h MET 372 N 0.43 0.86 -0.62 2.33 2.86 0.19 -2.96 114.93 118.01 3hdi h MET 372 Ca 0.12 -0.43 0.01 0.00 -2.06 0.00 0.00 59.70 57.34 3hdi h MET 372 Cb 0.16 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 3hdi h MET 372 CO -0.01 1.07 0.40 0.82 1.06 0.00 0.00 176.91 180.25 3hdi h ILE 373 N 0.66 1.14 -0.10 -1.22 1.08 -0.34 -2.12 117.51 116.61 3hdi h ILE 373 Ca 0.07 -0.28 0.04 0.00 -0.39 0.00 0.00 64.86 64.30 3hdi h ILE 373 Cb 0.88 0.25 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 3hdi h ILE 373 CO 0.08 0.15 -0.16 -0.33 -0.69 0.00 0.00 178.15 177.20 3hdi h GLU 374 N 0.82 -0.21 -0.42 2.37 5.08 -0.84 -1.86 114.58 119.53 3hdi h GLU 374 Ca 0.23 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.68 3hdi h GLU 374 Cb -0.07 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.14 3hdi h GLU 374 CO -0.06 -0.14 -0.40 1.96 -1.00 0.00 0.00 179.01 179.37 3hdi h GLN 375 N -0.22 -0.29 -0.32 2.33 1.08 -1.29 1.09 115.11 117.50 3hdi h GLN 375 Ca 0.09 0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.38 3hdi h GLN 375 Cb 0.34 0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 27.76 3hdi h GLN 375 CO -0.23 -0.19 -0.22 0.82 -0.95 0.00 0.00 178.83 178.06 3hdi h ILE 376 N -0.30 0.41 -0.36 2.54 2.04 -1.00 -2.02 117.51 118.82 3hdi h ILE 376 Ca 0.15 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.90 3hdi h ILE 376 Cb 0.57 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3hdi h ILE 376 CO -0.57 0.00 -0.22 0.78 0.00 0.00 0.00 178.15 178.14 3hdi h ASN 377 N -0.18 0.72 0.08 1.72 -0.26 -0.48 -2.91 115.58 114.26 3hdi h ASN 377 Ca 0.17 -0.25 -0.00 0.00 -0.56 0.00 0.00 56.30 55.65 3hdi h ASN 377 Cb 0.44 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.50 3hdi h ASN 377 CO -0.43 0.92 -0.00 0.00 -1.06 0.00 0.00 177.43 176.86 3hdi h ALA 378 N 1.13 1.00 -2.28 -0.83 0.00 0.19 -3.42 119.26 115.05 3hdi h ALA 378 Ca 0.09 -0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.45 3hdi h ALA 378 Cb 0.71 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3hdi h ALA 378 CO 0.05 0.00 1.04 0.08 0.00 0.00 0.00 179.25 180.42 3hdi s VAL 379 N -4.11 3.60 0.33 0.00 1.01 -1.01 -4.99 120.40 115.22 3hdi s VAL 379 Ca -0.05 0.79 -0.14 0.00 0.00 0.00 0.00 61.98 62.59 3hdi s VAL 379 Cb 0.13 -3.51 -0.08 0.00 0.00 0.00 0.00 36.38 32.91 3hdi s VAL 379 CO 0.42 -0.06 0.72 -1.10 0.00 0.00 0.00 175.10 175.08 3hdi s GLN 380 N 3.70 3.94 0.47 2.72 -1.52 -1.26 -4.99 119.66 122.72 3hdi s GLN 380 Ca 0.71 0.58 0.17 0.00 -1.95 0.00 0.00 55.36 54.88 3hdi s GLN 380 Cb -0.33 -2.45 1.16 0.00 -0.22 0.00 0.00 33.01 31.17 3hdi s GLN 380 CO 0.28 0.14 2.00 -0.22 -0.25 0.00 0.00 175.29 177.24 3hdi h LYS 381 N 2.12 0.25 0.00 2.91 3.64 -1.97 -1.39 116.57 122.13 3hdi h LYS 381 Ca -0.48 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3hdi h LYS 381 Cb 1.18 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3hdi h LYS 381 CO 0.66 0.16 -0.30 0.94 -2.27 0.00 0.00 179.45 178.64 3hdi n GLN 382 N -4.45 0.22 -0.16 1.90 7.27 -1.26 -2.72 117.38 118.18 3hdi n GLN 382 Ca 0.09 0.12 -0.09 0.00 0.07 0.00 0.00 57.00 57.18 3hdi n GLN 382 Cb 0.42 -1.69 0.00 0.00 2.41 0.00 0.00 30.24 31.37 3hdi n GLN 382 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 3hdi h ASP 383 N 0.00 0.71 0.17 1.69 3.32 -1.64 0.21 116.42 120.88 3hdi h ASP 383 Ca 0.00 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 3hdi h ASP 383 Cb 0.69 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3hdi h ASP 383 CO 0.00 0.76 -0.08 0.58 -1.72 0.00 0.00 179.24 178.78 3hdi h VAL 384 N 0.63 0.95 -0.13 -1.35 2.07 -1.58 -1.93 116.25 114.91 3hdi h VAL 384 Ca 0.15 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 66.98 3hdi h VAL 384 Cb 0.32 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 3hdi h VAL 384 CO 0.00 0.16 -0.17 0.28 0.02 0.00 0.00 177.57 177.87 3hdi h SER 385 N -0.59 -0.51 -0.58 0.57 0.02 -1.42 0.37 113.55 111.40 3hdi h SER 385 Ca -0.02 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 3hdi h SER 385 Cb 0.44 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 3hdi h SER 385 CO 0.04 -0.21 0.38 -0.09 -1.14 0.00 0.00 176.83 175.81 3hdi h ARG 386 N -0.21 0.66 -0.10 3.45 1.12 -0.64 -1.02 114.38 117.64 3hdi h ARG 386 Ca 0.10 -0.04 -0.05 0.00 -1.11 0.00 0.00 59.98 58.87 3hdi h ARG 386 Cb 0.35 -0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 30.16 3hdi h ARG 386 CO -0.25 0.44 -0.14 1.25 -3.11 0.00 0.00 179.97 178.15 3hdi h LEU 387 N 0.68 0.30 -1.96 3.80 5.85 -0.32 -2.53 115.31 121.13 3hdi h LEU 387 Ca 0.23 -0.52 0.04 0.00 0.84 0.00 0.00 57.88 58.47 3hdi h LEU 387 Cb 0.08 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3hdi h LEU 387 CO -0.06 0.76 0.13 0.00 -0.34 0.00 0.00 178.44 178.93 3hdi h ALA 388 N 0.55 2.11 -0.12 1.25 0.00 0.19 0.25 119.26 123.49 3hdi h ALA 388 Ca 0.01 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 3hdi h ALA 388 Cb 0.70 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.49 3hdi h ALA 388 CO 0.03 -0.15 -0.81 -0.22 0.00 0.00 0.00 179.25 178.09 3hdi h LYS 389 N 0.05 0.71 -0.01 0.00 3.64 -1.11 -1.31 116.57 118.54 3hdi h LYS 389 Ca 0.08 -0.61 -0.01 0.00 -1.27 0.00 0.00 60.65 58.84 3hdi h LYS 389 Cb 0.27 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3hdi h LYS 389 CO -0.01 1.22 -0.03 0.82 -2.27 0.00 0.00 179.45 179.19 3hdi h ILE 390 N 0.47 1.46 0.06 2.00 2.04 -0.81 -3.29 117.51 119.45 3hdi h ILE 390 Ca -0.06 -1.41 -0.16 0.00 1.00 0.00 0.00 64.86 64.24 3hdi h ILE 390 Cb 1.44 2.39 0.02 0.00 -0.74 0.00 0.00 36.82 39.92 3hdi h ILE 390 CO 0.16 0.37 -0.65 -0.07 0.00 0.00 0.00 178.15 177.97 3hdi h LEU 391 N -0.54 0.46 -0.02 1.44 3.38 -1.10 -3.36 115.31 115.57 3hdi h LEU 391 Ca -0.00 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.11 3hdi h LEU 391 Cb 0.62 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3hdi h LEU 391 CO 0.01 1.27 0.00 0.18 0.09 0.00 0.00 178.44 179.98 3hdi n LEU 392 N -4.21 0.03 0.01 1.67 4.77 -0.49 -3.58 117.00 115.20 3hdi n LEU 392 Ca -0.12 -0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.70 3hdi n LEU 392 Cb 0.72 -0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.67 3hdi n LEU 392 CO 0.47 0.01 -0.57 0.28 -1.33 0.00 0.00 177.39 176.24 3hdi h SER 393 N 0.05 0.26 -2.88 -1.43 0.02 -1.71 -3.47 113.55 104.39 3hdi h SER 393 Ca 0.00 -0.49 -0.54 0.00 -0.84 0.00 0.00 61.79 59.92 3hdi h SER 393 Cb 0.01 -0.08 0.22 0.00 0.14 0.00 0.00 62.40 62.69 3hdi h SER 393 CO 0.00 1.43 -1.03 0.00 -1.14 0.00 0.00 176.83 176.09 3hdi n ALA 394 N -2.74 -3.59 -2.57 3.77 0.00 -1.23 -4.89 120.51 109.25 3hdi n ALA 394 Ca -0.22 -0.61 -0.43 0.00 0.00 0.00 0.00 53.44 52.18 3hdi n ALA 394 Cb 1.05 -1.56 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 3hdi n ALA 394 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hdi s SER 395 N -1.62 7.08 0.50 0.00 0.15 -1.26 -5.00 113.70 113.56 3hdi s SER 395 Ca 0.51 1.57 -0.18 0.00 0.70 0.00 0.00 55.95 58.55 3hdi s SER 395 Cb -0.21 -2.55 -0.08 0.00 -1.71 0.00 0.00 66.02 61.47 3hdi s SER 395 CO 0.73 -0.63 1.00 -2.16 1.20 0.00 0.00 173.24 173.38 3hdi s PRO 396 N 2.85 3.85 0.42 5.44 0.04 -1.26 -4.38 135.00 141.96 3hdi s PRO 396 Ca 0.50 1.14 -0.17 0.00 0.04 0.00 0.00 61.00 62.52 3hdi s PRO 396 Cb -0.19 -2.11 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 3hdi s PRO 396 CO 0.14 -0.36 0.87 -1.54 0.04 0.00 0.00 177.00 176.15 3hdi s SER 397 N -2.53 6.76 -0.02 6.66 1.04 -0.32 -4.61 113.70 120.68 3hdi s SER 397 Ca 0.63 1.47 0.02 0.00 0.48 0.00 0.00 55.95 58.54 3hdi s SER 397 Cb -0.12 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.54 3hdi s SER 397 CO 0.25 -0.37 -0.07 -0.63 0.98 0.00 0.00 173.24 173.40 3hdi s ILE 398 N -2.25 0.62 0.05 -1.02 1.01 -0.06 -0.58 121.20 118.96 3hdi s ILE 398 Ca 0.58 -0.27 0.08 0.00 0.00 0.00 0.00 60.65 61.03 3hdi s ILE 398 Cb -0.10 -0.56 -0.03 0.00 0.01 0.00 0.00 42.46 41.78 3hdi s ILE 398 CO 0.21 0.20 -0.23 -0.55 0.00 0.00 0.00 174.94 174.57 3hdi s SER 399 N 0.22 2.73 -0.27 3.58 0.15 -0.45 -0.97 113.70 118.69 3hdi s SER 399 Ca -0.03 -0.57 -0.24 0.00 0.70 0.00 0.00 55.95 55.81 3hdi s SER 399 Cb -0.08 -0.23 0.07 0.00 -1.71 0.00 0.00 66.02 64.08 3hdi s SER 399 CO 0.00 0.18 0.73 -0.22 1.20 0.00 0.00 173.24 175.13 3hdi s LEU 400 N -1.29 -0.76 -0.06 3.45 2.96 -0.41 -1.84 118.68 120.73 3hdi s LEU 400 Ca 0.09 1.44 0.01 0.00 -0.22 0.00 0.00 54.13 55.45 3hdi s LEU 400 Cb -0.09 2.44 0.02 0.00 0.50 0.00 0.00 46.19 49.06 3hdi s LEU 400 CO 0.02 -0.25 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.09 3hdi s ILE 401 N 0.47 0.86 0.19 6.68 1.01 -0.39 -0.78 121.20 129.24 3hdi s ILE 401 Ca -0.01 -0.30 -0.07 0.00 0.00 0.00 0.00 60.65 60.27 3hdi s ILE 401 Cb -0.05 -0.83 0.03 0.00 0.01 0.00 0.00 42.46 41.62 3hdi s ILE 401 CO -0.01 0.30 0.39 -0.46 0.00 0.00 0.00 174.94 175.15 3hdi n ASN 402 N 4.01 -1.12 0.04 3.58 0.23 -0.89 -1.14 115.26 119.97 3hdi n ASN 402 Ca -0.23 -1.78 -0.10 0.00 -0.53 0.00 0.00 54.58 51.95 3hdi n ASN 402 Cb 0.51 1.87 -0.07 0.00 -2.08 0.00 0.00 39.78 40.01 3hdi n ASN 402 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hdi h ALA 403 N 2.00 -0.20 0.00 -2.53 0.00 -1.78 0.32 119.26 117.06 3hdi h ALA 403 Ca -0.16 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3hdi h ALA 403 Cb 0.60 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3hdi h ALA 403 CO 0.21 -0.25 0.00 -2.95 0.00 0.00 0.00 179.25 176.25 3hdi h ASN 404 N -0.91 0.00 -0.20 0.00 -0.00 -1.95 -3.39 115.58 109.13 3hdi h ASN 404 Ca -0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 56.30 56.19 3hdi h ASN 404 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.79 3hdi h ASN 404 CO 0.03 0.00 -0.08 0.61 -0.00 0.00 0.00 177.43 178.00 3hdi n GLY 405 N 0.18 0.62 3.57 9.14 0.00 -1.25 -4.91 105.19 112.55 3hdi n GLY 405 Ca 0.01 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 3hdi n GLY 405 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hdi s GLU 406 N -1.76 2.30 0.52 1.61 -1.05 -1.26 -4.56 118.70 114.50 3hdi s GLU 406 Ca 0.00 -0.90 -0.23 0.00 -0.15 0.00 0.00 54.97 53.70 3hdi s GLU 406 Cb 0.00 -2.37 -0.06 0.00 -0.44 0.00 0.00 34.13 31.26 3hdi s GLU 406 CO 0.00 0.55 1.35 -0.51 0.95 0.00 0.00 175.26 177.60 3hdi s LEU 407 N -1.81 3.93 0.00 1.83 1.02 -1.26 -5.02 118.68 117.36 3hdi s LEU 407 Ca 0.19 2.74 0.00 0.00 0.02 0.00 0.00 54.13 57.08 3hdi s LEU 407 Cb -0.11 -4.20 0.00 0.00 0.02 0.00 0.00 46.19 41.90 3hdi s LEU 407 CO 0.10 -1.41 0.00 -0.81 0.02 0.00 0.00 176.35 174.26 3hdi n PRO 408 N -0.79 0.95 -3.12 1.29 -0.04 -1.26 -4.93 135.00 127.10 3hdi n PRO 408 Ca 0.09 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.28 3hdi n PRO 408 Cb 0.45 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.85 3hdi n PRO 408 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3hdi n LYS 409 N 0.00 2.87 -2.75 0.54 4.01 -1.26 -4.89 118.16 116.67 3hdi n LYS 409 Ca 0.00 -4.71 -0.33 0.00 -0.51 0.00 0.00 58.31 52.76 3hdi n LYS 409 Cb 0.00 -2.21 -0.01 0.00 -0.51 0.00 0.00 35.03 32.30 3hdi n LYS 409 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3hdi n ALA 410 N 0.18 5.32 0.00 7.82 0.00 -1.26 -4.46 120.51 128.11 3hdi n ALA 410 Ca 0.30 -4.62 0.00 0.00 0.00 0.00 0.00 53.44 49.12 3hdi n ALA 410 Cb 0.41 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3hdi n ALA 410 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hdi n LEU 411 N -0.20 0.00 -4.59 0.00 4.77 -1.26 -5.10 117.00 110.61 3hdi n LEU 411 Ca 0.39 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 56.13 3hdi n LEU 411 Cb 0.35 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.35 3hdi n LEU 411 CO 0.42 0.00 -0.36 -0.51 -1.33 0.00 0.00 177.39 175.61 3hdi s ILE 412 N -0.67 2.85 -0.67 -0.08 2.07 -1.26 -5.07 121.20 118.37 3hdi s ILE 412 Ca 0.00 -2.07 0.03 0.00 -1.41 0.00 0.00 60.65 57.20 3hdi s ILE 412 Cb 0.00 -2.68 0.36 0.00 0.13 0.00 0.00 42.46 40.27 3hdi s ILE 412 CO 0.00 -0.31 1.33 1.57 -1.91 0.00 0.00 174.94 175.63 3hdi n HIS 413 N -0.85 3.46 -4.73 3.50 -0.00 -1.26 -5.04 115.22 110.30 3hdi n HIS 413 Ca -0.05 -3.21 -0.33 0.00 -0.00 0.00 0.00 57.72 54.13 3hdi n HIS 413 Cb 0.61 -0.61 -0.12 0.00 -0.00 0.00 0.00 29.99 29.87 3hdi n HIS 413 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3hdi s LEU 414 N -3.75 2.99 0.00 0.27 1.43 -1.26 -5.25 118.68 113.11 3hdi s LEU 414 Ca 0.47 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 3hdi s LEU 414 Cb 0.32 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.91 3hdi s LEU 414 CO -0.20 0.36 0.00 1.21 0.23 0.00 0.00 176.35 177.95