#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hl6 n GLU 4 N 0.00 1.81 -3.20 0.38 1.02 -1.23 -4.77 120.64 114.64 3hl6 n GLU 4 Ca 0.00 0.66 -0.39 0.00 -0.02 0.00 0.00 57.16 57.40 3hl6 n GLU 4 Cb 0.00 -2.40 -0.06 0.00 -0.02 0.00 0.00 31.44 28.96 3hl6 n GLU 4 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3hl6 s THR 5 N 1.45 5.08 0.19 2.62 2.01 -1.26 -1.13 115.64 124.61 3hl6 s THR 5 Ca 0.84 1.04 0.07 0.00 0.31 0.00 0.00 61.69 63.95 3hl6 s THR 5 Cb -0.78 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 67.81 3hl6 s THR 5 CO 0.44 0.17 0.09 0.27 -0.69 0.00 0.00 174.62 174.90 3hl6 s ILE 6 N 1.65 4.14 -0.03 1.82 -5.25 0.75 -4.89 121.20 119.40 3hl6 s ILE 6 Ca 0.26 -1.33 -0.12 0.00 -0.99 0.00 0.00 60.65 58.46 3hl6 s ILE 6 Cb -0.16 -3.14 -0.05 0.00 2.95 0.00 0.00 42.46 42.06 3hl6 s ILE 6 CO 0.10 -0.18 0.33 -0.69 -1.79 0.00 0.00 174.94 172.71 3hl6 s VAL 7 N -1.88 5.17 0.13 8.37 1.01 -1.26 -1.35 120.40 130.59 3hl6 s VAL 7 Ca 0.30 0.65 -0.31 0.00 0.00 0.00 0.00 61.98 62.62 3hl6 s VAL 7 Cb -0.09 -3.62 -0.10 0.00 0.00 0.00 0.00 36.38 32.57 3hl6 s VAL 7 CO 0.22 0.58 1.69 0.20 0.00 0.00 0.00 175.10 177.79 3hl6 s ASN 8 N -1.09 6.51 0.00 3.32 0.01 -1.26 -4.93 114.94 117.50 3hl6 s ASN 8 Ca 0.22 2.66 0.13 0.00 -0.71 0.00 0.00 52.86 55.16 3hl6 s ASN 8 Cb -0.15 -2.58 0.16 0.00 0.41 0.00 0.00 41.25 39.09 3hl6 s ASN 8 CO 0.11 -0.92 1.01 -0.62 -1.51 0.00 0.00 177.10 175.17 3hl6 n GLU 9 N 4.91 1.30 -4.19 -0.60 1.02 -1.26 -5.02 120.64 116.80 3hl6 n GLU 9 Ca 0.16 -1.49 -0.12 0.00 -0.02 0.00 0.00 57.16 55.69 3hl6 n GLU 9 Cb 0.38 -1.27 -0.10 0.00 -0.02 0.00 0.00 31.44 30.44 3hl6 n GLU 9 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3hl6 s PHE 10 N -1.07 1.13 0.44 -0.32 0.08 -1.26 -4.99 117.98 111.99 3hl6 s PHE 10 Ca 0.18 -1.36 0.24 0.00 0.12 0.00 0.00 56.93 56.11 3hl6 s PHE 10 Cb 0.12 -0.54 1.36 0.00 -0.57 0.00 0.00 43.02 43.39 3hl6 s PHE 10 CO 0.17 -0.64 2.07 1.49 -0.10 0.00 0.00 175.22 178.21 3hl6 h GLU 11 N 2.62 0.00 -6.53 0.44 4.81 -2.01 -3.42 114.58 110.50 3hl6 h GLU 11 Ca -0.36 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.19 3hl6 h GLU 11 Cb 1.25 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.42 3hl6 h GLU 11 CO 0.53 0.13 -0.78 0.95 -0.73 0.00 0.00 179.01 179.10 3hl6 s THR 12 N -4.37 2.97 0.35 0.32 -4.23 -1.26 -4.98 115.64 104.44 3hl6 s THR 12 Ca -0.03 -1.12 0.03 0.00 -1.18 0.00 0.00 61.69 59.38 3hl6 s THR 12 Cb 0.14 -2.26 0.26 0.00 1.34 0.00 0.00 72.50 71.97 3hl6 s THR 12 CO 0.61 0.33 2.01 0.03 -0.54 0.00 0.00 174.62 177.06 3hl6 h ARG 13 N 4.49 0.79 -0.53 3.99 3.08 -1.82 -2.78 114.38 121.59 3hl6 h ARG 13 Ca -0.48 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 59.58 3hl6 h ARG 13 Cb 1.16 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.98 3hl6 h ARG 13 CO 0.49 0.54 0.24 0.00 -1.07 0.00 0.00 179.97 180.16 3hl6 h ALA 14 N 1.61 0.67 -0.41 0.04 0.00 -1.53 0.14 119.26 119.78 3hl6 h ALA 14 Ca 0.22 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.20 3hl6 h ALA 14 Cb -0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3hl6 h ALA 14 CO -0.04 -0.13 0.21 0.78 0.00 0.00 0.00 179.25 180.06 3hl6 h GLY 15 N 0.46 0.56 1.07 0.00 0.00 -1.80 0.94 103.07 104.29 3hl6 h GLY 15 Ca 0.24 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 3hl6 h GLY 15 CO -0.20 0.11 0.13 -0.84 0.00 0.00 0.00 176.54 175.74 3hl6 h THR 16 N 0.43 1.26 -0.71 4.70 2.02 -1.25 -1.60 112.91 117.76 3hl6 h THR 16 Ca 0.17 -1.01 -0.06 0.00 0.77 0.00 0.00 66.41 66.28 3hl6 h THR 16 Cb 0.07 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 3hl6 h THR 16 CO -0.11 0.38 0.20 -0.07 0.37 0.00 0.00 175.52 176.29 3hl6 h LEU 17 N 1.04 1.05 -0.74 2.58 3.38 -0.51 -2.06 115.31 120.06 3hl6 h LEU 17 Ca 0.21 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3hl6 h LEU 17 Cb 0.41 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3hl6 h LEU 17 CO 0.01 1.00 0.25 0.25 0.09 0.00 0.00 178.44 180.04 3hl6 h LEU 18 N 1.06 1.06 -0.61 1.67 5.85 -0.48 -0.04 115.31 123.82 3hl6 h LEU 18 Ca 0.23 -0.20 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 3hl6 h LEU 18 Cb 0.34 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3hl6 h LEU 18 CO -0.00 0.97 -0.24 -0.09 -0.34 0.00 0.00 178.44 178.75 3hl6 h ARG 19 N 1.09 0.85 0.02 1.25 2.43 -1.10 -2.46 114.38 116.45 3hl6 h ARG 19 Ca 0.24 -0.36 -0.20 0.00 -0.81 0.00 0.00 59.98 58.85 3hl6 h ARG 19 Cb 0.28 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3hl6 h ARG 19 CO -0.01 1.00 -0.92 1.88 -1.51 0.00 0.00 179.97 180.40 3hl6 h TYR 20 N 0.73 0.22 -0.09 2.20 0.05 -1.24 -0.99 116.97 117.84 3hl6 h TYR 20 Ca 0.10 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.75 3hl6 h TYR 20 Cb 0.78 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.49 3hl6 h TYR 20 CO 0.04 0.98 0.06 -0.92 -1.05 0.00 0.00 178.16 177.27 3hl6 h TYR 21 N 0.07 0.12 -0.28 4.88 5.03 -0.73 0.54 116.97 126.59 3hl6 h TYR 21 Ca -0.04 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.22 3hl6 h TYR 21 Cb 1.58 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 39.81 3hl6 h TYR 21 CO 0.02 0.09 -0.02 1.79 -1.32 0.00 0.00 178.16 178.73 3hl6 h THR 22 N 0.11 1.26 -0.83 1.81 1.35 -1.52 -2.43 112.91 112.66 3hl6 h THR 22 Ca 0.03 -0.97 0.19 0.00 -0.55 0.00 0.00 66.41 65.11 3hl6 h THR 22 Cb 0.00 1.34 -0.15 0.00 -1.73 0.00 0.00 68.15 67.61 3hl6 h THR 22 CO -0.01 0.31 -0.10 1.23 -0.25 0.00 0.00 175.52 176.70 3hl6 h GLY 23 N 0.28 0.79 -2.29 5.82 0.00 -0.17 -2.77 103.07 104.73 3hl6 h GLY 23 Ca 0.08 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3hl6 h GLY 23 CO 0.02 -0.34 0.00 1.04 0.00 0.00 0.00 176.54 177.26 3hl6 n LEU 24 N -5.47 3.44 0.52 3.11 4.77 0.18 -4.67 117.00 118.88 3hl6 n LEU 24 Ca 0.15 -1.45 -0.21 0.00 -0.03 0.00 0.00 56.01 54.47 3hl6 n LEU 24 Cb 0.50 -0.23 -0.10 0.00 -2.33 0.00 0.00 43.42 41.26 3hl6 n LEU 24 CO -0.02 0.73 0.55 0.25 -1.33 0.00 0.00 177.39 177.57 3hl6 h LEU 25 N 4.53 -1.12 -0.00 2.23 5.85 -1.13 -0.06 115.31 125.61 3hl6 h LEU 25 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3hl6 h LEU 25 Cb 0.99 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 3hl6 h LEU 25 CO 0.00 -0.80 -0.03 -0.33 -0.34 0.00 0.00 178.44 176.94 3hl6 h GLU 26 N -1.32 -0.04 -1.64 1.25 3.07 -1.83 -2.23 114.58 111.84 3hl6 h GLU 26 Ca -0.13 0.00 0.48 0.00 -0.50 0.00 0.00 59.36 59.20 3hl6 h GLU 26 Cb 1.01 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.86 3hl6 h GLU 26 CO 0.22 -0.02 1.23 -2.13 -1.40 0.00 0.00 179.01 176.91 3hl6 n ARG 27 N -2.71 0.00 0.14 2.33 3.00 -1.19 -1.01 116.66 117.22 3hl6 n ARG 27 Ca -0.00 0.94 0.04 0.00 -0.00 0.00 0.00 57.85 58.83 3hl6 n ARG 27 Cb 0.02 -2.20 0.04 0.00 0.00 0.00 0.00 32.46 30.32 3hl6 n ARG 27 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3hl6 h SER 28 N 0.00 0.00 -0.05 6.15 4.64 -0.36 -1.15 113.55 122.78 3hl6 h SER 28 Ca 0.78 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 62.03 3hl6 h SER 28 Cb 3.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 65.31 3hl6 h SER 28 CO -0.01 0.39 -0.16 0.11 -0.87 0.00 0.00 176.83 176.29 3hl6 h LYS 29 N 0.00 0.40 0.00 4.77 1.57 -1.01 -1.52 116.57 120.78 3hl6 h LYS 29 Ca -0.02 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.53 3hl6 h LYS 29 Cb 1.31 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.56 3hl6 h LYS 29 CO 0.05 0.56 -1.93 1.33 -0.57 0.00 0.00 179.45 178.89 3hl6 n VAL 30 N -4.20 0.56 -3.43 0.50 0.24 -1.20 -4.72 118.33 106.08 3hl6 n VAL 30 Ca -0.00 -0.62 -0.12 0.00 -2.04 0.00 0.00 64.34 61.56 3hl6 n VAL 30 Cb 0.33 -0.24 -0.10 0.00 -1.47 0.00 0.00 33.84 32.36 3hl6 n VAL 30 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3hl6 s GLN 31 N -3.17 0.29 0.12 7.34 2.00 -0.44 -5.11 119.66 120.69 3hl6 s GLN 31 Ca -0.07 0.50 -0.34 0.00 -2.00 0.00 0.00 55.36 53.45 3hl6 s GLN 31 Cb 0.11 -0.59 -0.13 0.00 0.80 0.00 0.00 33.01 33.20 3hl6 s GLN 31 CO 0.87 -0.59 1.64 -2.30 -0.50 0.00 0.00 175.29 174.41 3hl6 n PRO 32 N 5.35 2.22 -4.13 1.67 -0.02 -1.26 -3.79 135.00 135.04 3hl6 n PRO 32 Ca -0.05 0.80 -0.22 0.00 -2.02 0.00 0.00 63.50 62.01 3hl6 n PRO 32 Cb 0.50 -2.59 -0.05 0.00 -0.02 0.00 0.00 33.50 31.33 3hl6 n PRO 32 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hl6 s PHE 35 N 2.14 0.44 0.15 0.00 -0.71 0.02 -3.57 117.98 116.44 3hl6 s PHE 35 Ca -0.07 -0.83 0.06 0.00 -1.04 0.00 0.00 56.93 55.05 3hl6 s PHE 35 Cb -0.09 0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 41.95 3hl6 s PHE 35 CO -0.17 -1.13 -0.14 0.15 -1.34 0.00 0.00 175.22 172.58 3hl6 s LYS 36 N -3.53 1.11 0.03 1.99 1.02 -0.28 -1.02 119.74 119.06 3hl6 s LYS 36 Ca 0.22 -1.36 -0.15 0.00 0.02 0.00 0.00 55.97 54.70 3hl6 s LYS 36 Cb -0.02 -0.94 -0.06 0.00 -0.52 0.00 0.00 37.83 36.29 3hl6 s LYS 36 CO 0.12 0.17 0.46 -0.51 -0.92 0.00 0.00 175.35 174.66 3hl6 s LEU 37 N -2.76 4.47 0.00 3.17 2.01 -1.26 -0.17 118.68 124.14 3hl6 s LEU 37 Ca 0.13 1.03 -0.30 0.00 0.01 0.00 0.00 54.13 55.00 3hl6 s LEU 37 Cb -0.03 -2.74 -0.06 0.00 0.01 0.00 0.00 46.19 43.37 3hl6 s LEU 37 CO 0.04 0.28 1.51 -0.47 1.01 0.00 0.00 176.35 178.72 3hl6 s TYR 38 N -1.14 2.58 -1.29 0.29 5.04 -0.45 -3.13 117.35 119.25 3hl6 s TYR 38 Ca 0.27 0.58 -0.05 0.00 -2.44 0.00 0.00 57.07 55.42 3hl6 s TYR 38 Cb -0.17 -3.79 0.01 0.00 0.35 0.00 0.00 41.96 38.36 3hl6 s TYR 38 CO 0.15 -3.06 1.11 0.09 -1.34 0.00 0.00 175.55 172.50 3hl6 n ASN 39 N 5.77 -4.55 -4.63 4.32 3.02 -1.26 -4.78 115.26 113.16 3hl6 n ASN 39 Ca 0.15 -0.57 -0.43 0.00 -0.03 0.00 0.00 54.58 53.70 3hl6 n ASN 39 Cb 0.43 -5.06 -0.02 0.00 -0.61 0.00 0.00 39.78 34.51 3hl6 n ASN 39 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hl6 s ASP 40 N -3.76 6.47 0.00 6.41 -1.08 -1.18 -4.88 116.67 118.65 3hl6 s ASP 40 Ca 0.34 1.43 0.11 0.00 -0.52 0.00 0.00 52.55 53.91 3hl6 s ASP 40 Cb -0.15 -2.54 0.52 0.00 -1.46 0.00 0.00 42.92 39.30 3hl6 s ASP 40 CO 0.73 -1.21 1.25 -0.81 0.52 0.00 0.00 175.17 175.65 3hl6 n PRO 41 N 7.57 0.12 0.00 4.34 -0.04 -1.26 -1.20 135.00 144.52 3hl6 n PRO 41 Ca 0.17 0.21 0.03 0.00 -0.04 0.00 0.00 63.50 63.88 3hl6 n PRO 41 Cb 0.46 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 3hl6 n PRO 41 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hl6 n PHE 42 N -1.33 0.00 -3.22 0.54 3.72 -1.26 -4.96 117.46 110.95 3hl6 n PHE 42 Ca 0.05 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.30 3hl6 n PHE 42 Cb 0.09 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.71 3hl6 n PHE 42 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3hl6 n ASP 43 N -1.04 -2.35 -4.87 4.37 -0.08 -0.34 -4.48 116.55 107.75 3hl6 n ASP 43 Ca 0.02 -0.54 -0.32 0.00 -1.51 0.00 0.00 54.79 52.43 3hl6 n ASP 43 Cb 0.12 -4.51 -0.05 0.00 2.34 0.00 0.00 41.12 39.01 3hl6 n ASP 43 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3hl6 s MET 44 N -5.10 3.81 -0.24 -0.67 -1.94 -1.26 -1.78 119.30 112.13 3hl6 s MET 44 Ca 0.03 0.28 -0.12 0.00 -1.71 0.00 0.00 55.69 54.16 3hl6 s MET 44 Cb -0.00 -2.71 -0.05 0.00 2.01 0.00 0.00 34.83 34.08 3hl6 s MET 44 CO 0.63 0.36 0.24 0.08 -0.01 0.00 0.00 175.02 176.32 3hl6 s VAL 45 N -1.74 5.30 -0.11 -6.03 1.01 -0.11 -4.54 120.40 114.18 3hl6 s VAL 45 Ca 0.45 0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.75 3hl6 s VAL 45 Cb -0.12 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3hl6 s VAL 45 CO 0.21 0.30 -0.02 -0.31 0.00 0.00 0.00 175.10 175.28 3hl6 s TYR 46 N 1.26 3.09 -0.06 5.22 1.51 -0.19 -2.53 117.35 125.66 3hl6 s TYR 46 Ca 0.11 0.00 0.03 0.00 -1.01 0.00 0.00 57.07 56.20 3hl6 s TYR 46 Cb -0.14 -1.85 0.01 0.00 -0.11 0.00 0.00 41.96 39.86 3hl6 s TYR 46 CO 0.06 0.26 -0.14 0.08 -1.11 0.00 0.00 175.55 174.71 3hl6 s VAL 47 N -0.37 1.26 -0.36 0.71 1.01 -0.38 -0.80 120.40 121.47 3hl6 s VAL 47 Ca 0.07 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 3hl6 s VAL 47 Cb -0.12 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.15 3hl6 s VAL 47 CO 0.02 0.38 0.20 -0.04 0.00 0.00 0.00 175.10 175.66 3hl6 s MET 48 N 0.50 2.99 -0.05 2.72 -1.94 -0.17 -0.17 119.30 123.17 3hl6 s MET 48 Ca -0.13 -0.97 -0.01 0.00 -1.71 0.00 0.00 55.69 52.88 3hl6 s MET 48 Cb -0.15 -3.71 0.03 0.00 2.01 0.00 0.00 34.83 33.01 3hl6 s MET 48 CO 0.04 -0.62 0.01 1.41 -0.01 0.00 0.00 175.02 175.84 3hl6 s MET 49 N 1.58 0.36 -1.08 2.03 0.00 -0.23 -1.59 119.30 120.38 3hl6 s MET 49 Ca 0.03 0.13 -0.01 0.00 0.00 0.00 0.00 55.69 55.84 3hl6 s MET 49 Cb -0.19 -0.67 0.00 0.00 0.00 0.00 0.00 34.83 33.98 3hl6 s MET 49 CO 0.07 -0.22 0.91 0.09 0.00 0.00 0.00 175.02 175.87 3hl6 n ASN 50 N 4.68 -2.75 -0.27 1.11 3.02 -0.58 -1.73 115.26 118.75 3hl6 n ASN 50 Ca -0.16 -0.53 -0.04 0.00 -0.03 0.00 0.00 54.58 53.83 3hl6 n ASN 50 Cb 0.50 -4.56 -0.02 0.00 -0.61 0.00 0.00 39.78 35.10 3hl6 n ASN 50 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3hl6 n SER 51 N -2.80 -5.42 -4.44 6.41 3.41 -1.26 -4.88 113.62 104.63 3hl6 n SER 51 Ca -0.21 0.09 -0.28 0.00 -0.26 0.00 0.00 58.87 58.21 3hl6 n SER 51 Cb 0.63 -3.23 -0.12 0.00 -0.26 0.00 0.00 64.21 61.23 3hl6 n SER 51 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hl6 s LYS 52 N -2.03 1.57 -0.14 4.33 1.02 -0.70 -4.02 119.74 119.77 3hl6 s LYS 52 Ca 0.00 -1.37 -0.03 0.00 0.02 0.00 0.00 55.97 54.59 3hl6 s LYS 52 Cb 0.00 -1.94 -0.03 0.00 -0.52 0.00 0.00 37.83 35.34 3hl6 s LYS 52 CO 0.00 0.44 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.67 3hl6 s LEU 53 N -2.36 3.36 0.22 3.17 2.96 -0.81 -1.07 118.68 124.16 3hl6 s LEU 53 Ca 0.18 -0.05 0.07 0.00 -0.22 0.00 0.00 54.13 54.11 3hl6 s LEU 53 Cb -0.09 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 3hl6 s LEU 53 CO 0.09 0.23 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.88 3hl6 s PHE 54 N 0.03 1.73 -0.13 5.38 0.08 0.76 -0.06 117.98 125.76 3hl6 s PHE 54 Ca 0.01 -0.65 -0.24 0.00 0.12 0.00 0.00 56.93 56.17 3hl6 s PHE 54 Cb -0.13 -0.88 0.06 0.00 -0.57 0.00 0.00 43.02 41.50 3hl6 s PHE 54 CO 0.02 0.28 0.59 0.45 -0.10 0.00 0.00 175.22 176.47 3hl6 s SER 55 N -3.34 -0.58 -0.16 1.36 0.15 0.16 -1.24 113.70 110.05 3hl6 s SER 55 Ca 0.24 0.87 -0.12 0.00 0.70 0.00 0.00 55.95 57.64 3hl6 s SER 55 Cb 0.01 0.84 0.05 0.00 -1.71 0.00 0.00 66.02 65.21 3hl6 s SER 55 CO 0.08 -0.40 0.41 -1.38 1.20 0.00 0.00 173.24 173.15 3hl6 s HIS 56 N -0.49 -0.51 0.60 3.44 -3.43 -1.05 -1.52 115.29 112.33 3hl6 s HIS 56 Ca -0.06 1.17 -0.19 0.00 -0.80 0.00 0.00 55.06 55.18 3hl6 s HIS 56 Cb -0.03 0.20 -0.03 0.00 -1.43 0.00 0.00 32.58 31.28 3hl6 s HIS 56 CO 0.05 -0.26 1.22 0.14 -2.00 0.00 0.00 174.74 173.89 3hl6 s VAL 57 N 0.68 2.52 -0.12 -5.38 -7.23 -1.26 -0.94 120.40 108.67 3hl6 s VAL 57 Ca -0.04 0.33 -0.26 0.00 -1.81 0.00 0.00 61.98 60.20 3hl6 s VAL 57 Cb -0.05 -3.13 -0.02 0.00 0.56 0.00 0.00 36.38 33.74 3hl6 s VAL 57 CO -0.05 -0.07 0.83 -0.47 -0.31 0.00 0.00 175.10 175.03 3hl6 s TYR 58 N -1.55 3.49 -0.17 2.82 5.04 -0.73 -4.83 117.35 121.42 3hl6 s TYR 58 Ca 0.78 1.32 -0.01 0.00 -2.44 0.00 0.00 57.07 56.72 3hl6 s TYR 58 Cb -0.32 -2.99 -0.00 0.00 0.35 0.00 0.00 41.96 39.00 3hl6 s TYR 58 CO 0.34 -0.14 -0.12 0.42 -1.34 0.00 0.00 175.55 174.71 3hl6 s ILE 59 N 1.70 2.88 -0.05 3.14 -1.09 -1.26 -5.05 121.20 121.47 3hl6 s ILE 59 Ca 0.40 -0.69 -0.21 0.00 -2.23 0.00 0.00 60.65 57.92 3hl6 s ILE 59 Cb -0.17 -2.25 -0.15 0.00 -1.58 0.00 0.00 42.46 38.31 3hl6 s ILE 59 CO 0.16 0.49 0.89 0.07 -1.23 0.00 0.00 174.94 175.32 3hl6 h LYS 60 N 7.51 -0.23 -0.50 2.79 -0.00 -2.03 -3.18 116.57 120.92 3hl6 h LYS 60 Ca -0.36 0.02 0.06 0.00 -0.00 0.00 0.00 60.65 60.37 3hl6 h LYS 60 Cb 1.18 0.05 -0.03 0.00 -0.00 0.00 0.00 32.23 33.43 3hl6 h LYS 60 CO 0.59 0.18 0.34 -0.44 -0.00 0.00 0.00 179.45 180.11 3hl6 h ASP 61 N -0.86 0.39 -3.34 7.07 3.32 -2.05 -3.44 116.42 117.51 3hl6 h ASP 61 Ca -0.02 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.40 3hl6 h ASP 61 Cb 0.52 -0.08 -0.19 0.00 0.22 0.00 0.00 39.33 39.79 3hl6 h ASP 61 CO 0.04 0.26 -0.61 0.00 -1.72 0.00 0.00 179.24 177.20 3hl6 s LYS 63 N 0.51 4.27 -0.29 0.00 2.20 -1.26 -4.71 119.74 120.47 3hl6 s LYS 63 Ca 0.01 1.99 -0.17 0.00 -0.36 0.00 0.00 55.97 57.43 3hl6 s LYS 63 Cb -0.13 -3.59 -0.02 0.00 -1.51 0.00 0.00 37.83 32.58 3hl6 s LYS 63 CO 0.02 -0.59 0.48 0.14 -0.36 0.00 0.00 175.35 175.03 3hl6 s VAL 64 N 2.46 5.08 -0.86 4.02 -7.23 -1.26 -4.90 120.40 117.72 3hl6 s VAL 64 Ca 0.64 0.65 0.09 0.00 -1.81 0.00 0.00 61.98 61.55 3hl6 s VAL 64 Cb -0.32 -3.83 0.21 0.00 0.56 0.00 0.00 36.38 33.00 3hl6 s VAL 64 CO 0.27 0.02 1.12 -1.14 -0.31 0.00 0.00 175.10 175.05 3hl6 n ARG 65 N 5.54 2.30 -3.46 4.82 3.00 -1.26 -4.96 116.66 122.64 3hl6 n ARG 65 Ca -0.05 -1.75 -0.09 0.00 -0.00 0.00 0.00 57.85 55.96 3hl6 n ARG 65 Cb 0.50 -1.21 -0.09 0.00 0.00 0.00 0.00 32.46 31.66 3hl6 n ARG 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 3hl6 s GLN 66 N -0.95 0.33 0.51 -0.14 2.00 -1.26 -5.07 119.66 115.08 3hl6 s GLN 66 Ca 0.17 0.70 0.07 0.00 -2.00 0.00 0.00 55.36 54.30 3hl6 s GLN 66 Cb 0.09 -0.20 0.07 0.00 0.80 0.00 0.00 33.01 33.77 3hl6 s GLN 66 CO 0.13 -0.50 0.55 0.43 -0.50 0.00 0.00 175.29 175.39 3hl6 n SER 67 N 5.37 2.25 -3.96 6.67 7.64 -1.26 -4.94 113.62 125.39 3hl6 n SER 67 Ca -0.05 -2.55 -0.22 0.00 1.01 0.00 0.00 58.87 57.05 3hl6 n SER 67 Cb 0.50 -0.21 -0.16 0.00 -1.01 0.00 0.00 64.21 63.32 3hl6 n SER 67 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3hl6 s PHE 68 N -2.36 1.13 0.04 1.43 0.08 -0.57 -4.90 117.98 112.83 3hl6 s PHE 68 Ca 0.42 -0.39 -0.30 0.00 0.12 0.00 0.00 56.93 56.77 3hl6 s PHE 68 Cb -0.03 -0.88 -0.07 0.00 -0.57 0.00 0.00 43.02 41.46 3hl6 s PHE 68 CO 0.26 -0.24 1.63 -2.00 -0.10 0.00 0.00 175.22 174.78 3hl6 s GLU 69 N 0.78 4.20 -0.10 0.44 2.12 -1.26 -0.66 118.70 124.22 3hl6 s GLU 69 Ca -0.13 2.27 0.12 0.00 0.36 0.00 0.00 54.97 57.60 3hl6 s GLU 69 Cb -0.15 -3.68 -0.24 0.00 0.26 0.00 0.00 34.13 30.32 3hl6 s GLU 69 CO 0.02 -0.74 0.46 1.28 -0.54 0.00 0.00 175.26 175.73 3hl6 n LEU 70 N 5.91 0.82 -3.62 2.70 4.77 0.91 -4.85 117.00 123.65 3hl6 n LEU 70 Ca 0.16 0.27 -0.14 0.00 -0.03 0.00 0.00 56.01 56.28 3hl6 n LEU 70 Cb 0.41 0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.57 3hl6 n LEU 70 CO 0.62 0.47 0.49 0.00 -1.33 0.00 0.00 177.39 177.64 3hl6 s ALA 71 N -2.56 -1.82 0.27 -1.18 0.00 -1.19 -4.45 121.76 110.82 3hl6 s ALA 71 Ca -0.08 1.91 0.06 0.00 0.00 0.00 0.00 51.96 53.85 3hl6 s ALA 71 Cb 0.07 -1.08 -0.06 0.00 0.00 0.00 0.00 23.12 22.06 3hl6 s ALA 71 CO 0.82 -0.32 -0.06 -1.54 0.00 0.00 0.00 175.76 174.65 3hl6 s SER 72 N 0.13 2.61 0.33 0.00 1.04 -0.80 -1.93 113.70 115.09 3hl6 s SER 72 Ca -0.01 -1.18 0.12 0.00 0.48 0.00 0.00 55.95 55.36 3hl6 s SER 72 Cb -0.04 -0.14 1.02 0.00 0.10 0.00 0.00 66.02 66.96 3hl6 s SER 72 CO 0.01 -0.35 1.64 -0.65 0.98 0.00 0.00 173.24 174.86 3hl6 h PRO 73 N 2.33 0.21 -0.33 4.02 0.11 -1.98 0.65 132.00 137.00 3hl6 h PRO 73 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3hl6 h PRO 73 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3hl6 h PRO 73 CO 0.66 0.14 0.00 1.63 -0.21 0.00 0.00 178.00 180.22 3hl6 n LYS 74 N -5.17 2.48 -3.36 1.05 5.02 -1.26 -4.57 118.16 112.35 3hl6 n LYS 74 Ca 0.30 -2.22 -0.26 0.00 -2.02 0.00 0.00 58.31 54.10 3hl6 n LYS 74 Cb 0.95 -1.51 -0.09 0.00 -0.02 0.00 0.00 35.03 34.37 3hl6 n LYS 74 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3hl6 n HIS 75 N 1.46 0.03 0.85 2.13 8.25 0.22 -4.83 115.22 123.33 3hl6 n HIS 75 Ca 0.19 -3.56 0.09 0.00 -0.26 0.00 0.00 57.72 54.17 3hl6 n HIS 75 Cb 0.60 -0.12 -0.06 0.00 1.12 0.00 0.00 29.99 31.54 3hl6 n HIS 75 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3hl6 n THR 76 N 2.05 0.00 0.13 1.59 -2.24 -1.23 -1.90 114.28 112.68 3hl6 n THR 76 Ca 0.26 -0.18 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 3hl6 n THR 76 Cb 0.48 1.10 0.64 0.00 -2.10 0.00 0.00 70.33 70.45 3hl6 n THR 76 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3hl6 h GLU 77 N 0.99 0.06 0.21 -0.78 9.09 -1.92 -1.04 114.58 121.19 3hl6 h GLU 77 Ca 0.00 -0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.42 3hl6 h GLU 77 Cb 0.53 -0.01 -0.04 0.00 -1.65 0.00 0.00 28.75 27.57 3hl6 h GLU 77 CO 0.00 0.04 -0.48 0.78 0.05 0.00 0.00 179.01 179.40 3hl6 h GLY 78 N 0.06 -1.06 0.63 1.06 0.00 -1.87 -0.16 103.07 101.74 3hl6 h GLY 78 Ca 0.12 0.58 0.06 0.00 0.00 0.00 0.00 47.33 48.09 3hl6 h GLY 78 CO -0.01 -0.29 0.29 1.41 0.00 0.00 0.00 176.54 177.94 3hl6 h LEU 79 N -0.78 0.41 -1.15 3.11 3.38 -1.44 -2.49 115.31 116.35 3hl6 h LEU 79 Ca -0.01 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3hl6 h LEU 79 Cb 0.76 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3hl6 h LEU 79 CO -0.22 0.26 -0.16 0.40 0.09 0.00 0.00 178.44 178.82 3hl6 h ILE 80 N 0.55 1.23 0.01 1.22 2.04 -1.25 -2.69 117.51 118.62 3hl6 h ILE 80 Ca 0.27 -1.01 -0.20 0.00 1.00 0.00 0.00 64.86 64.92 3hl6 h ILE 80 Cb 0.21 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3hl6 h ILE 80 CO -0.20 0.32 -0.92 0.03 0.00 0.00 0.00 178.15 177.39 3hl6 h ARG 81 N 0.37 0.08 0.00 2.37 3.08 -0.65 -1.28 114.38 118.35 3hl6 h ARG 81 Ca 0.07 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3hl6 h ARG 81 Cb 0.50 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 3hl6 h ARG 81 CO 0.03 0.94 -0.04 0.77 -1.07 0.00 0.00 179.97 180.59 3hl6 h SER 82 N 0.04 0.00 0.08 7.04 0.02 -1.14 0.37 113.55 119.95 3hl6 h SER 82 Ca -0.03 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3hl6 h SER 82 Cb 1.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.13 3hl6 h SER 82 CO 0.13 0.04 -0.04 0.40 -1.14 0.00 0.00 176.83 176.22 3hl6 h ILE 83 N 0.00 0.96 -0.55 3.27 2.04 -0.96 -1.63 117.51 120.64 3hl6 h ILE 83 Ca -0.00 -1.46 0.06 0.00 1.00 0.00 0.00 64.86 64.46 3hl6 h ILE 83 Cb 0.35 1.73 -0.06 0.00 -0.74 0.00 0.00 36.82 38.10 3hl6 h ILE 83 CO 0.01 0.29 0.25 -0.33 0.00 0.00 0.00 178.15 178.37 3hl6 h GLU 84 N -0.92 0.46 -0.25 2.37 5.08 -1.44 -2.84 114.58 117.04 3hl6 h GLU 84 Ca -0.01 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3hl6 h GLU 84 Cb 0.56 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3hl6 h GLU 84 CO 0.02 0.31 -0.01 0.78 -1.00 0.00 0.00 179.01 179.11 3hl6 h GLY 85 N 0.48 0.39 2.00 -3.84 0.00 -0.30 -1.05 103.07 100.75 3hl6 h GLY 85 Ca 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 3hl6 h GLY 85 CO -0.21 0.20 -0.07 0.84 0.00 0.00 0.00 176.54 177.30 3hl6 h HIS 86 N 0.36 0.00 0.06 5.60 -0.00 -1.04 0.85 115.15 120.98 3hl6 h HIS 86 Ca 0.08 0.00 -0.38 0.00 -0.00 0.00 0.00 60.37 60.08 3hl6 h HIS 86 Cb 0.25 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.62 3hl6 h HIS 86 CO 0.01 0.07 -2.23 0.66 -0.00 0.00 0.00 177.93 176.43 3hl6 n TYR 87 N -4.04 0.63 -1.13 5.26 4.01 -0.50 -4.67 117.16 116.72 3hl6 n TYR 87 Ca -0.03 0.14 0.03 0.00 -0.16 0.00 0.00 57.90 57.88 3hl6 n TYR 87 Cb 0.15 -1.08 0.05 0.00 -0.31 0.00 0.00 39.34 38.14 3hl6 n TYR 87 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 3hl6 n VAL 88 N -3.35 0.82 -2.50 -0.72 0.24 -0.63 -5.11 118.33 107.08 3hl6 n VAL 88 Ca -0.38 -0.95 0.00 0.00 -2.04 0.00 0.00 64.34 60.97 3hl6 n VAL 88 Cb 1.02 0.34 0.00 0.00 -1.47 0.00 0.00 33.84 33.74 3hl6 n VAL 88 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hl6 n GLY 89 N -0.57 1.28 2.89 7.63 0.00 0.29 -4.83 105.19 111.88 3hl6 n GLY 89 Ca 0.05 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 3hl6 n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hl6 s TYR 90 N 0.00 -0.13 -0.31 1.61 2.02 0.29 -4.46 117.35 116.37 3hl6 s TYR 90 Ca 0.00 0.44 -0.14 0.00 -0.37 0.00 0.00 57.07 57.00 3hl6 s TYR 90 Cb 0.00 -0.13 -0.03 0.00 -0.40 0.00 0.00 41.96 41.40 3hl6 s TYR 90 CO 0.00 -0.17 0.30 -2.00 -1.57 0.00 0.00 175.55 172.11 3hl6 s GLU 91 N 1.29 3.76 0.49 -0.62 2.12 -1.26 -0.01 118.70 124.48 3hl6 s GLU 91 Ca -0.08 -0.32 -0.21 0.00 0.36 0.00 0.00 54.97 54.72 3hl6 s GLU 91 Cb -0.12 -3.73 -0.08 0.00 0.26 0.00 0.00 34.13 30.46 3hl6 s GLU 91 CO -0.05 -0.36 1.08 -0.51 -0.54 0.00 0.00 175.26 174.87 3hl6 s LEU 92 N 1.91 3.85 0.02 2.70 1.43 -0.97 -4.94 118.68 122.68 3hl6 s LEU 92 Ca 0.10 2.04 -0.25 0.00 -1.03 0.00 0.00 54.13 55.00 3hl6 s LEU 92 Cb -0.16 -4.51 -0.18 0.00 0.03 0.00 0.00 46.19 41.36 3hl6 s LEU 92 CO 0.11 -0.90 1.45 0.45 0.23 0.00 0.00 176.35 177.69 3hl6 h HIS 93 N 1.57 0.01 -2.15 0.29 3.86 -1.98 -3.22 115.15 113.54 3hl6 h HIS 93 Ca -0.50 -0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.12 3hl6 h HIS 93 Cb 1.23 -0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.73 3hl6 h HIS 93 CO 0.55 0.31 1.09 -0.25 0.86 0.00 0.00 177.93 180.49 3hl6 n ASP 94 N -4.93 3.58 -4.60 2.45 8.00 -1.26 -4.82 116.55 114.96 3hl6 n ASP 94 Ca -0.08 0.97 -0.56 0.00 0.71 0.00 0.00 54.79 55.83 3hl6 n ASP 94 Cb 0.17 -1.42 -0.07 0.00 -0.02 0.00 0.00 41.12 39.78 3hl6 n ASP 94 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hl6 n GLY 95 N 4.30 0.28 0.00 0.44 0.00 -1.24 -4.94 105.19 104.03 3hl6 n GLY 95 Ca 0.21 0.78 0.00 0.00 0.00 0.00 0.00 46.02 47.01 3hl6 n GLY 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hl6 n LYS 96 N 2.77 0.00 -4.00 1.61 4.81 -1.22 -4.95 118.16 117.18 3hl6 n LYS 96 Ca 0.21 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.45 3hl6 n LYS 96 Cb 0.13 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 35.01 3hl6 n LYS 96 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 3hl6 s GLN 97 N -2.00 0.62 -0.11 1.64 0.74 -1.26 -2.30 119.66 116.99 3hl6 s GLN 97 Ca 0.00 -0.00 0.03 0.00 0.05 0.00 0.00 55.36 55.44 3hl6 s GLN 97 Cb 0.00 -0.77 0.01 0.00 1.10 0.00 0.00 33.01 33.35 3hl6 s GLN 97 CO 0.00 -0.15 -0.20 -0.51 -0.55 0.00 0.00 175.29 173.88 3hl6 s LEU 98 N 1.20 1.96 1.05 3.68 1.43 0.99 -4.93 118.68 124.06 3hl6 s LEU 98 Ca -0.07 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.41 3hl6 s LEU 98 Cb -0.14 -1.28 0.21 0.00 0.03 0.00 0.00 46.19 45.02 3hl6 s LEU 98 CO -0.02 0.09 1.06 -1.54 0.23 0.00 0.00 176.35 176.17 3hl6 n SER 99 N 3.85 -0.72 0.10 2.29 3.41 -1.26 0.10 113.62 121.40 3hl6 n SER 99 Ca -0.20 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3hl6 n SER 99 Cb 0.52 -1.37 0.32 0.00 -0.26 0.00 0.00 64.21 63.42 3hl6 n SER 99 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3hl6 h ILE 100 N -2.28 1.24 -0.08 -1.33 2.10 -1.92 0.16 117.51 115.40 3hl6 h ILE 100 Ca -0.52 -1.10 -0.01 0.00 1.08 0.00 0.00 64.86 64.30 3hl6 h ILE 100 Cb 1.30 1.40 -0.00 0.00 -1.09 0.00 0.00 36.82 38.43 3hl6 h ILE 100 CO 0.45 0.34 -0.01 0.28 -1.08 0.00 0.00 178.15 178.12 3hl6 h SER 101 N 0.22 0.14 -0.15 2.19 0.02 -1.94 -1.04 113.55 112.99 3hl6 h SER 101 Ca 0.04 -0.34 -0.05 0.00 -0.84 0.00 0.00 61.79 60.59 3hl6 h SER 101 Cb 0.56 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 3hl6 h SER 101 CO 0.04 0.45 -0.05 0.44 -1.14 0.00 0.00 176.83 176.57 3hl6 h ASP 102 N -0.17 0.42 -0.76 3.07 3.32 -1.84 0.23 116.42 120.70 3hl6 h ASP 102 Ca 0.02 -0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.04 3hl6 h ASP 102 Cb 0.38 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.76 3hl6 h ASP 102 CO 0.01 0.53 0.45 -0.03 -1.72 0.00 0.00 179.24 178.48 3hl6 h MET 103 N 0.43 0.81 -0.06 3.56 4.05 -0.51 0.23 114.93 123.44 3hl6 h MET 103 Ca 0.09 -0.05 -0.20 0.00 -0.28 0.00 0.00 59.70 59.26 3hl6 h MET 103 Cb 0.37 -0.18 0.01 0.00 -0.80 0.00 0.00 31.60 31.00 3hl6 h MET 103 CO 0.02 0.54 -0.74 1.98 0.23 0.00 0.00 176.91 178.93 3hl6 h MET 104 N 0.84 0.61 -0.85 0.39 1.85 -0.19 -2.36 114.93 115.22 3hl6 h MET 104 Ca 0.33 -0.58 0.05 0.00 -0.61 0.00 0.00 59.70 58.90 3hl6 h MET 104 Cb 0.16 0.14 -0.06 0.00 0.43 0.00 0.00 31.60 32.28 3hl6 h MET 104 CO -0.17 1.19 0.53 0.00 -0.40 0.00 0.00 176.91 178.06 3hl6 h ALA 105 N 0.43 1.15 0.34 0.39 0.00 -0.37 -0.39 119.26 120.81 3hl6 h ALA 105 Ca -0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hl6 h ALA 105 Cb 1.40 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3hl6 h ALA 105 CO 0.15 0.32 -0.45 1.03 0.00 0.00 0.00 179.25 180.30 3hl6 h SER 106 N 1.00 -1.25 -0.09 0.00 0.87 -0.51 0.38 113.55 113.96 3hl6 h SER 106 Ca 0.36 0.11 0.01 0.00 -1.23 0.00 0.00 61.79 61.05 3hl6 h SER 106 Cb 0.10 0.43 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 3hl6 h SER 106 CO -0.15 -0.57 0.06 1.56 -0.53 0.00 0.00 176.83 177.20 3hl6 h GLN 107 N -0.83 0.05 0.19 2.24 1.08 -0.87 0.23 115.11 117.20 3hl6 h GLN 107 Ca -0.03 -0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.82 3hl6 h GLN 107 Cb 0.77 -0.01 0.01 0.00 -0.05 0.00 0.00 27.48 28.19 3hl6 h GLN 107 CO -0.12 0.03 -1.76 1.25 -0.95 0.00 0.00 178.83 177.28 3hl6 h LEU 108 N 0.05 0.62 0.00 1.46 5.85 -0.87 -3.39 115.31 119.03 3hl6 h LEU 108 Ca 0.04 -0.94 0.00 0.00 0.84 0.00 0.00 57.88 57.82 3hl6 h LEU 108 Cb 0.08 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3hl6 h LEU 108 CO -0.00 1.79 -1.18 0.49 -0.34 0.00 0.00 178.44 179.20 3hl6 n PHE 109 N -3.59 0.00 -1.51 1.25 3.72 0.13 -4.64 117.46 112.82 3hl6 n PHE 109 Ca -0.25 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.16 3hl6 n PHE 109 Cb 1.08 -0.12 0.20 0.00 -0.94 0.00 0.00 39.48 39.70 3hl6 n PHE 109 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3hl6 n GLU 110 N -1.65 1.73 -3.84 -1.08 1.02 0.78 -4.92 120.64 112.68 3hl6 n GLU 110 Ca -0.01 -3.23 -0.35 0.00 -0.02 0.00 0.00 57.16 53.55 3hl6 n GLU 110 Cb 0.14 -1.72 -0.13 0.00 -0.02 0.00 0.00 31.44 29.71 3hl6 n GLU 110 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hl6 s ASP 111 N -2.85 5.10 0.34 1.62 -1.08 -1.21 -4.90 116.67 113.69 3hl6 s ASP 111 Ca 0.41 -1.75 0.15 0.00 -0.52 0.00 0.00 52.55 50.85 3hl6 s ASP 111 Cb 0.39 -1.78 0.60 0.00 -1.46 0.00 0.00 42.92 40.67 3hl6 s ASP 111 CO -0.03 -0.43 1.71 1.05 0.52 0.00 0.00 175.17 178.00 3hl6 h GLU 112 N 8.00 0.00 -0.42 4.34 4.11 -1.95 -1.70 114.58 126.97 3hl6 h GLU 112 Ca -0.15 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.24 3hl6 h GLU 112 Cb 1.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 3hl6 h GLU 112 CO 0.62 0.45 0.12 1.88 0.07 0.00 0.00 179.01 182.15 3hl6 h TYR 113 N 0.00 0.69 -0.32 2.06 0.05 -1.99 -0.05 116.97 117.41 3hl6 h TYR 113 Ca -0.00 -0.07 0.04 0.00 0.05 0.00 0.00 58.73 58.74 3hl6 h TYR 113 Cb 0.92 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 38.42 3hl6 h TYR 113 CO 0.00 0.64 0.09 0.35 -1.05 0.00 0.00 178.16 178.19 3hl6 h PHE 114 N 0.54 0.16 -0.45 4.88 3.57 -1.87 -1.58 116.94 122.19 3hl6 h PHE 114 Ca 0.13 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.70 3hl6 h PHE 114 Cb 0.28 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 3hl6 h PHE 114 CO 0.01 0.06 0.20 0.52 -2.23 0.00 0.00 178.31 176.87 3hl6 h MET 115 N 0.22 0.38 -0.92 1.11 2.86 -1.06 -1.48 114.93 116.05 3hl6 h MET 115 Ca 0.15 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.78 3hl6 h MET 115 Cb 0.13 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 3hl6 h MET 115 CO -0.17 0.25 0.60 -0.92 1.06 0.00 0.00 176.91 177.74 3hl6 h TYR 116 N 0.39 1.14 -0.08 -0.22 5.03 -0.66 0.15 116.97 122.73 3hl6 h TYR 116 Ca 0.20 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.42 3hl6 h TYR 116 Cb 0.15 -0.38 -0.01 0.00 1.55 0.00 0.00 36.73 38.04 3hl6 h TYR 116 CO -0.12 0.69 -0.49 0.78 -1.32 0.00 0.00 178.16 177.69 3hl6 h GLY 117 N 1.20 0.22 0.71 1.82 0.00 -0.86 -1.87 103.07 104.30 3hl6 h GLY 117 Ca 0.35 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 3hl6 h GLY 117 CO -0.10 0.21 -0.02 1.41 0.00 0.00 0.00 176.54 178.05 3hl6 h LEU 118 N 0.16 0.17 -0.32 3.11 3.38 -0.19 -0.94 115.31 120.68 3hl6 h LEU 118 Ca 0.01 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.65 3hl6 h LEU 118 Cb 0.93 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 3hl6 h LEU 118 CO 0.07 0.49 -0.19 0.00 0.09 0.00 0.00 178.44 178.90 3hl6 n GLN 119 N -4.79 -0.14 0.30 1.13 6.02 -0.07 -1.60 117.38 118.22 3hl6 n GLN 119 Ca -0.07 1.12 0.20 0.00 -0.01 0.00 0.00 57.00 58.25 3hl6 n GLN 119 Cb 0.23 -1.67 1.07 0.00 1.02 0.00 0.00 30.24 30.89 3hl6 n GLN 119 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 3hl6 h THR 120 N 0.00 0.00 -0.46 5.09 2.02 -1.28 -2.41 112.91 115.86 3hl6 h THR 120 Ca 0.05 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 3hl6 h THR 120 Cb 0.13 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3hl6 h THR 120 CO -0.30 0.00 0.23 0.22 0.37 0.00 0.00 175.52 176.04 3hl6 h TYR 121 N 0.00 0.66 0.00 3.16 5.03 -0.17 -3.50 116.97 122.15 3hl6 h TYR 121 Ca 0.00 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.28 3hl6 h TYR 121 Cb 0.01 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.08 3hl6 h TYR 121 CO 0.00 0.53 0.00 0.00 -1.32 0.00 0.00 178.16 177.37 3hl6 n ALA 122 N -2.29 0.57 0.00 1.82 0.00 -0.91 -4.85 120.51 114.85 3hl6 n ALA 122 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3hl6 n ALA 122 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 3hl6 n ALA 122 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hl6 n SER 147 N 0.00 0.00 -4.70 0.00 3.41 -1.26 -4.56 113.62 106.50 3hl6 n SER 147 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 3hl6 n SER 147 Cb 0.39 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 3hl6 n SER 147 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3hl6 s SER 148 N 0.00 7.12 -0.06 4.04 0.15 -1.26 -4.99 113.70 118.69 3hl6 s SER 148 Ca 0.00 1.35 -0.01 0.00 0.70 0.00 0.00 55.95 57.99 3hl6 s SER 148 Cb 0.00 -2.48 -0.04 0.00 -1.71 0.00 0.00 66.02 61.80 3hl6 s SER 148 CO 0.00 -0.23 -0.07 -3.20 1.20 0.00 0.00 173.24 170.94 3hl6 n ASN 149 N 4.15 2.27 0.00 5.45 2.85 -1.26 -5.00 115.26 123.72 3hl6 n ASN 149 Ca 0.03 0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 3hl6 n ASN 149 Cb 0.51 -0.14 0.00 0.00 1.24 0.00 0.00 39.78 41.39 3hl6 n ASN 149 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 3hl6 n THR 150 N -2.93 0.00 -3.08 -0.44 -1.04 -1.26 -4.94 114.28 100.59 3hl6 n THR 150 Ca -0.12 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.47 3hl6 n THR 150 Cb 0.61 -0.05 -0.06 0.00 -1.82 0.00 0.00 70.33 69.01 3hl6 n THR 150 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3hl6 s ASP 151 N -2.68 6.37 0.18 8.00 2.15 -1.26 -4.39 116.67 125.04 3hl6 s ASP 151 Ca 0.00 -0.17 -0.13 0.00 0.43 0.00 0.00 52.55 52.68 3hl6 s ASP 151 Cb 0.00 -2.33 0.11 0.00 -0.30 0.00 0.00 42.92 40.39 3hl6 s ASP 151 CO 0.00 -0.76 1.82 0.58 -0.17 0.00 0.00 175.17 176.64 3hl6 h VAL 152 N 5.85 1.06 -0.35 1.11 2.07 -1.91 -1.83 116.25 122.24 3hl6 h VAL 152 Ca -0.25 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 3hl6 h VAL 152 Cb 1.10 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3hl6 h VAL 152 CO 0.89 0.12 -0.03 0.40 0.02 0.00 0.00 177.57 178.97 3hl6 h ILE 153 N 0.65 1.27 -0.40 4.57 1.08 -1.99 -1.13 117.51 121.56 3hl6 h ILE 153 Ca 0.22 -1.05 0.01 0.00 -0.39 0.00 0.00 64.86 63.65 3hl6 h ILE 153 Cb 0.02 1.24 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 3hl6 h ILE 153 CO -0.09 0.34 0.25 0.00 -0.69 0.00 0.00 178.15 177.96 3hl6 h ALA 154 N 0.84 0.50 -0.04 1.87 0.00 -1.93 0.45 119.26 120.95 3hl6 h ALA 154 Ca 0.10 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3hl6 h ALA 154 Cb 0.51 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3hl6 h ALA 154 CO 0.02 -0.07 -0.10 -0.91 0.00 0.00 0.00 179.25 178.20 3hl6 h ASN 155 N 0.51 -0.29 -0.86 0.00 2.35 -1.17 -2.09 115.58 114.03 3hl6 h ASN 155 Ca 0.15 0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.97 3hl6 h ASN 155 Cb -0.03 0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 3hl6 h ASN 155 CO -0.05 -0.14 0.57 0.40 -1.65 0.00 0.00 177.43 176.56 3hl6 h ILE 156 N -0.15 1.18 -0.70 2.81 2.04 -0.89 -0.67 117.51 121.13 3hl6 h ILE 156 Ca 0.05 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 3hl6 h ILE 156 Cb 0.22 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.23 3hl6 h ILE 156 CO -0.13 0.20 0.29 -0.33 0.00 0.00 0.00 178.15 178.19 3hl6 h GLU 157 N 1.11 1.05 -0.33 2.37 5.08 -0.59 0.37 114.58 123.64 3hl6 h GLU 157 Ca 0.33 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 58.35 3hl6 h GLU 157 Cb -0.05 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 3hl6 h GLU 157 CO -0.09 0.86 -0.40 1.98 -1.00 0.00 0.00 179.01 180.36 3hl6 h MET 158 N 1.00 0.86 -0.57 2.33 4.05 -0.90 -1.31 114.93 120.38 3hl6 h MET 158 Ca 0.24 -0.48 0.11 0.00 -0.28 0.00 0.00 59.70 59.29 3hl6 h MET 158 Cb 0.20 0.03 -0.09 0.00 -0.80 0.00 0.00 31.60 30.94 3hl6 h MET 158 CO -0.02 1.12 0.06 -0.07 0.23 0.00 0.00 176.91 178.22 3hl6 h LEU 159 N 0.65 -0.13 -1.09 3.39 3.38 -0.54 -1.47 115.31 119.49 3hl6 h LEU 159 Ca 0.04 0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.22 3hl6 h LEU 159 Cb 0.99 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.88 3hl6 h LEU 159 CO 0.10 -0.05 0.61 1.88 0.09 0.00 0.00 178.44 181.07 3hl6 h TYR 160 N 0.18 1.09 -0.14 1.13 0.05 0.33 -1.29 116.97 118.32 3hl6 h TYR 160 Ca 0.30 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 59.06 3hl6 h TYR 160 Cb 0.46 -0.36 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 3hl6 h TYR 160 CO -0.30 0.53 -0.10 1.96 -1.05 0.00 0.00 178.16 179.20 3hl6 h GLN 161 N 1.04 0.32 -0.71 4.88 4.20 -0.28 -2.39 115.11 122.17 3hl6 h GLN 161 Ca 0.43 -0.15 0.15 0.00 0.06 0.00 0.00 58.65 59.13 3hl6 h GLN 161 Cb 0.29 -0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.97 3hl6 h GLN 161 CO -0.18 0.68 0.20 -0.07 -0.67 0.00 0.00 178.83 178.78 3hl6 h LEU 162 N -0.03 0.08 -1.73 1.46 3.38 -1.20 -2.85 115.31 114.42 3hl6 h LEU 162 Ca 0.03 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.16 3hl6 h LEU 162 Cb 0.60 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 3hl6 h LEU 162 CO 0.03 0.01 0.24 0.00 0.09 0.00 0.00 178.44 178.81 3hl6 h ALA 163 N 1.57 1.89 0.00 1.53 0.00 -0.71 0.77 119.26 124.32 3hl6 h ALA 163 Ca 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3hl6 h ALA 163 Cb 0.64 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3hl6 h ALA 163 CO -0.46 0.06 0.00 0.25 0.00 0.00 0.00 179.25 179.10 3hl6 n THR 164 N -4.48 0.49 0.55 0.00 -2.24 -1.08 -2.58 114.28 104.94 3hl6 n THR 164 Ca 0.03 0.12 0.12 0.00 -2.27 0.00 0.00 64.05 62.05 3hl6 n THR 164 Cb 0.17 -0.77 0.17 0.00 -2.10 0.00 0.00 70.33 67.79 3hl6 n THR 164 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hl6 n GLY 165 N 0.59 1.42 3.33 3.38 0.00 0.26 -1.28 105.19 112.90 3hl6 n GLY 165 Ca 0.07 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 3hl6 n GLY 165 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hl6 s ILE 166 N -1.64 3.80 -0.06 -0.61 1.01 -1.06 -4.55 121.20 118.09 3hl6 s ILE 166 Ca 0.34 -0.66 -0.16 0.00 0.00 0.00 0.00 60.65 60.16 3hl6 s ILE 166 Cb 0.21 -2.92 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 3hl6 s ILE 166 CO 0.30 0.16 0.44 0.20 0.00 0.00 0.00 174.94 176.04 3hl6 s ASN 167 N 1.49 6.74 -1.06 3.58 0.01 -1.26 -4.44 114.94 119.99 3hl6 s ASN 167 Ca 0.03 0.88 -0.12 0.00 -0.71 0.00 0.00 52.86 52.94 3hl6 s ASN 167 Cb -0.17 -2.27 -0.04 0.00 0.41 0.00 0.00 41.25 39.19 3hl6 s ASN 167 CO 0.01 0.16 0.86 -0.62 -1.51 0.00 0.00 177.10 175.99 3hl6 n GLU 168 N 2.80 -1.78 -2.31 -0.60 1.02 -1.26 -4.93 120.64 113.58 3hl6 n GLU 168 Ca -0.10 0.74 -0.41 0.00 -0.02 0.00 0.00 57.16 57.37 3hl6 n GLU 168 Cb 0.52 -5.11 -0.03 0.00 -0.02 0.00 0.00 31.44 26.80 3hl6 n GLU 168 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3hl6 s PRO 169 N -4.95 4.47 0.38 3.49 0.04 -1.26 -4.99 135.00 132.19 3hl6 s PRO 169 Ca 0.44 1.97 -0.23 0.00 0.04 0.00 0.00 61.00 63.21 3hl6 s PRO 169 Cb -0.10 -3.19 -0.13 0.00 0.04 0.00 0.00 34.50 31.12 3hl6 s PRO 169 CO 0.79 -0.09 0.56 0.28 0.04 0.00 0.00 177.00 178.58 3hl6 n VAL 170 N 2.02 1.73 0.29 -0.36 0.31 -1.26 -4.80 118.33 116.27 3hl6 n VAL 170 Ca 0.03 -0.50 0.19 0.00 -0.01 0.00 0.00 64.34 64.05 3hl6 n VAL 170 Cb 0.44 -0.50 0.98 0.00 -0.91 0.00 0.00 33.84 33.84 3hl6 n VAL 170 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3hl6 h PRO 171 N 0.92 0.00 0.00 5.55 0.11 -2.00 -1.93 132.00 134.64 3hl6 h PRO 171 Ca -0.39 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.66 3hl6 h PRO 171 Cb 1.40 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.50 3hl6 h PRO 171 CO 0.53 0.00 -0.31 0.93 -0.21 0.00 0.00 178.00 178.94 3hl6 h GLU 172 N 0.00 0.00 0.03 1.05 3.07 -1.95 0.29 114.58 117.06 3hl6 h GLU 172 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3hl6 h GLU 172 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 3hl6 h GLU 172 CO 0.00 0.31 -0.01 -0.07 -1.40 0.00 0.00 179.01 177.84 3hl6 h LEU 173 N 0.00 -0.03 -0.34 1.33 4.07 -1.69 -2.19 115.31 116.46 3hl6 h LEU 173 Ca -0.00 -0.65 0.06 0.00 0.08 0.00 0.00 57.88 57.37 3hl6 h LEU 173 Cb 1.15 0.01 -0.08 0.00 1.08 0.00 0.00 40.66 42.81 3hl6 h LEU 173 CO 0.04 0.66 -0.48 0.58 -1.08 0.00 0.00 178.44 178.16 3hl6 h VAL 174 N -0.75 0.07 -0.34 1.22 2.07 -1.56 -0.12 116.25 116.86 3hl6 h VAL 174 Ca -0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3hl6 h VAL 174 Cb 0.68 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3hl6 h VAL 174 CO 0.01 0.00 0.05 -0.08 0.02 0.00 0.00 177.57 177.57 3hl6 h GLU 175 N -0.40 0.56 -0.64 1.57 4.57 -0.56 -2.39 114.58 117.29 3hl6 h GLU 175 Ca 0.10 -0.15 0.12 0.00 -1.18 0.00 0.00 59.36 58.26 3hl6 h GLU 175 Cb 0.61 -0.06 -0.12 0.00 -0.16 0.00 0.00 28.75 29.01 3hl6 h GLU 175 CO -0.54 0.64 -0.22 0.78 -1.18 0.00 0.00 179.01 178.48 3hl6 h GLY 176 N 0.39 0.28 1.67 1.92 0.00 -1.23 -0.80 103.07 105.30 3hl6 h GLY 176 Ca 0.10 0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.62 3hl6 h GLY 176 CO 0.01 -0.24 -0.36 -2.00 0.00 0.00 0.00 176.54 173.95 3hl6 h LEU 177 N -0.06 0.38 -0.37 3.11 5.85 -0.87 -2.77 115.31 120.58 3hl6 h LEU 177 Ca 0.29 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 3hl6 h LEU 177 Cb 0.51 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3hl6 h LEU 177 CO -0.68 0.72 -0.12 0.50 -0.34 0.00 0.00 178.44 178.52 3hl6 h LYS 178 N 0.32 0.74 -0.25 1.25 3.64 -0.86 -0.70 116.57 120.70 3hl6 h LYS 178 Ca 0.04 -0.30 -0.12 0.00 -1.27 0.00 0.00 60.65 59.00 3hl6 h LYS 178 Cb 0.78 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 3hl6 h LYS 178 CO 0.06 0.90 -0.35 -0.07 -2.27 0.00 0.00 179.45 177.72 3hl6 h LEU 179 N 0.54 0.56 -0.21 5.20 3.38 -1.10 0.56 115.31 124.24 3hl6 h LEU 179 Ca 0.09 -0.23 -0.16 0.00 0.09 0.00 0.00 57.88 57.67 3hl6 h LEU 179 Cb 0.64 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3hl6 h LEU 179 CO 0.04 0.87 -0.49 0.58 0.09 0.00 0.00 178.44 179.54 3hl6 h VAL 180 N 0.46 1.31 0.00 1.22 2.07 -1.49 -1.70 116.25 118.11 3hl6 h VAL 180 Ca 0.05 -1.71 -0.10 0.00 0.82 0.00 0.00 66.70 65.76 3hl6 h VAL 180 Cb 0.83 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 3hl6 h VAL 180 CO 0.07 0.54 -0.49 0.71 0.02 0.00 0.00 177.57 178.41 3hl6 h THR 181 N 0.41 1.11 0.23 2.57 1.35 -0.88 -3.08 112.91 114.62 3hl6 h THR 181 Ca -0.00 -1.85 -0.01 0.00 -0.55 0.00 0.00 66.41 64.00 3hl6 h THR 181 Cb 1.10 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 3hl6 h THR 181 CO 0.11 0.48 -0.11 -0.08 -0.25 0.00 0.00 175.52 175.67 3hl6 h GLU 182 N 0.00 -0.30 -1.21 4.72 4.81 -0.88 -3.22 114.58 118.50 3hl6 h GLU 182 Ca -0.00 0.02 0.35 0.00 -0.13 0.00 0.00 59.36 59.60 3hl6 h GLU 182 Cb 1.03 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 30.39 3hl6 h GLU 182 CO 0.06 0.06 0.82 0.35 -0.73 0.00 0.00 179.01 179.57 3hl6 h PHE 183 N -0.71 0.39 0.00 0.92 3.04 -1.24 -1.16 116.94 118.18 3hl6 h PHE 183 Ca -0.03 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.86 3hl6 h PHE 183 Cb 0.49 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.88 3hl6 h PHE 183 CO 0.04 -0.03 -0.91 0.28 -2.02 0.00 0.00 178.31 175.68 3hl6 h VAL 184 N 0.18 0.32 -1.92 1.41 2.07 -1.57 -3.42 116.25 113.31 3hl6 h VAL 184 Ca 0.66 -1.54 -0.52 0.00 0.82 0.00 0.00 66.70 66.12 3hl6 h VAL 184 Cb 2.14 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 33.82 3hl6 h VAL 184 CO -0.22 0.18 1.51 -1.10 0.02 0.00 0.00 177.57 177.95 3hl6 s GLN 185 N -3.13 2.63 0.18 1.57 -1.52 -0.44 -4.84 119.66 114.13 3hl6 s GLN 185 Ca 0.01 1.48 -0.30 0.00 -1.95 0.00 0.00 55.36 54.60 3hl6 s GLN 185 Cb 0.08 -4.45 -0.09 0.00 -0.22 0.00 0.00 33.01 28.34 3hl6 s GLN 185 CO 0.77 -2.68 1.37 -0.51 -0.25 0.00 0.00 175.29 174.00 3hl6 s ASP 186 N 9.69 6.81 -0.16 5.90 1.01 -1.26 -4.86 116.67 133.80 3hl6 s ASP 186 Ca 0.92 2.45 0.09 0.00 0.71 0.00 0.00 52.55 56.72 3hl6 s ASP 186 Cb -0.22 -2.61 0.53 0.00 1.01 0.00 0.00 42.92 41.63 3hl6 s ASP 186 CO 0.29 -0.62 1.32 -0.62 0.21 0.00 0.00 175.17 175.76 3hl6 n GLU 187 N 3.00 3.46 -4.19 8.23 1.02 -1.26 -4.82 120.64 126.07 3hl6 n GLU 187 Ca 0.08 -2.04 -0.34 0.00 -0.02 0.00 0.00 57.16 54.85 3hl6 n GLU 187 Cb 0.42 -1.99 -0.06 0.00 -0.02 0.00 0.00 31.44 29.79 3hl6 n GLU 187 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hl6 n ASN 188 N 0.36 -0.51 -4.54 1.62 5.03 -1.26 -4.66 115.26 111.30 3hl6 n ASN 188 Ca 0.19 -1.24 -0.40 0.00 0.87 0.00 0.00 54.58 54.00 3hl6 n ASN 188 Cb 0.88 -1.88 0.02 0.00 -1.02 0.00 0.00 39.78 37.78 3hl6 n ASN 188 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hl6 n ALA 189 N -4.65 -0.58 -2.00 5.41 0.00 -1.26 -4.94 120.51 112.49 3hl6 n ALA 189 Ca -0.27 0.13 -0.19 0.00 0.00 0.00 0.00 53.44 53.11 3hl6 n ALA 189 Cb 0.67 -1.94 0.03 0.00 0.00 0.00 0.00 19.45 18.20 3hl6 n ALA 189 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hl6 s THR 190 N -1.45 2.77 0.49 0.00 -4.23 -1.26 -4.28 115.64 107.68 3hl6 s THR 190 Ca 0.66 -0.84 0.18 0.00 -1.18 0.00 0.00 61.69 60.50 3hl6 s THR 190 Cb -0.53 -2.93 0.32 0.00 1.34 0.00 0.00 72.50 70.70 3hl6 s THR 190 CO 0.55 0.00 2.05 -0.61 -0.54 0.00 0.00 174.62 176.07 3hl6 h GLN 191 N 0.33 0.15 -0.30 3.99 4.15 -1.92 -1.77 115.11 119.72 3hl6 h GLN 191 Ca -0.40 -0.01 -0.17 0.00 0.77 0.00 0.00 58.65 58.84 3hl6 h GLN 191 Cb 1.29 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.94 3hl6 h GLN 191 CO 0.47 0.10 -0.48 0.93 -1.93 0.00 0.00 178.83 177.92 3hl6 h GLU 192 N 0.15 0.83 -0.36 1.69 4.39 -1.98 -1.60 114.58 117.70 3hl6 h GLU 192 Ca 0.16 -0.48 -0.12 0.00 0.34 0.00 0.00 59.36 59.26 3hl6 h GLU 192 Cb 0.45 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 3hl6 h GLU 192 CO -0.02 1.12 -0.26 -0.44 -1.16 0.00 0.00 179.01 178.24 3hl6 h ASP 193 N 0.65 0.76 -0.32 1.42 3.45 -1.75 -0.84 116.42 119.79 3hl6 h ASP 193 Ca 0.03 -0.29 -0.01 0.00 0.43 0.00 0.00 57.03 57.20 3hl6 h ASP 193 Cb 1.07 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 39.61 3hl6 h ASP 193 CO 0.11 0.99 0.17 0.22 -1.57 0.00 0.00 179.24 179.16 3hl6 h TYR 194 N 0.64 0.45 0.00 4.55 3.20 -1.14 -1.96 116.97 122.71 3hl6 h TYR 194 Ca 0.08 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.77 3hl6 h TYR 194 Cb 0.78 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 3hl6 h TYR 194 CO 0.04 0.37 -0.79 1.57 -1.64 0.00 0.00 178.16 177.71 3hl6 h LYS 195 N 0.40 0.00 -0.35 1.82 2.10 -1.13 -0.38 116.57 119.02 3hl6 h LYS 195 Ca 0.11 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.82 3hl6 h LYS 195 Cb 0.08 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.35 3hl6 h LYS 195 CO -0.02 0.79 0.03 0.00 -2.00 0.00 0.00 179.45 178.25 3hl6 h ALA 196 N 1.21 0.34 -0.59 0.07 0.00 -1.14 -1.78 119.26 117.37 3hl6 h ALA 196 Ca -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hl6 h ALA 196 Cb 1.48 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 3hl6 h ALA 196 CO 0.10 -0.38 0.31 1.25 0.00 0.00 0.00 179.25 180.54 3hl6 h LEU 197 N 0.13 0.73 -0.51 0.00 5.85 -1.00 -2.30 115.31 118.22 3hl6 h LEU 197 Ca 0.17 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 3hl6 h LEU 197 Cb 0.22 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3hl6 h LEU 197 CO -0.26 0.60 -0.38 -0.08 -0.34 0.00 0.00 178.44 177.97 3hl6 h GLU 198 N 0.82 0.00 0.09 1.25 4.81 -0.54 -1.67 114.58 119.35 3hl6 h GLU 198 Ca 0.21 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.25 3hl6 h GLU 198 Cb 0.04 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.44 3hl6 h GLU 198 CO -0.03 0.38 -0.81 0.07 -0.73 0.00 0.00 179.01 177.89 3hl6 h ARG 199 N 0.00 0.39 -0.54 1.92 0.11 -1.21 -2.87 114.38 112.18 3hl6 h ARG 199 Ca -0.00 -0.54 0.10 0.00 0.10 0.00 0.00 59.98 59.64 3hl6 h ARG 199 Cb 1.09 0.18 -0.08 0.00 1.11 0.00 0.00 29.97 32.27 3hl6 h ARG 199 CO 0.05 1.21 0.08 0.87 0.10 0.00 0.00 179.97 182.28 3hl6 h LYS 200 N -0.16 0.20 -0.37 0.08 1.57 -1.26 0.78 116.57 117.41 3hl6 h LYS 200 Ca -0.13 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 3hl6 h LYS 200 Cb 1.57 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.82 3hl6 h LYS 200 CO 0.15 0.13 -0.17 -0.07 -0.57 0.00 0.00 179.45 178.93 3hl6 h LEU 201 N 0.20 0.68 -0.97 2.94 3.38 -1.42 -2.06 115.31 118.05 3hl6 h LEU 201 Ca 0.28 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3hl6 h LEU 201 Cb 0.41 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3hl6 h LEU 201 CO -0.39 0.85 0.35 0.78 0.09 0.00 0.00 178.44 180.12 3hl6 h ASN 202 N 0.61 0.99 -0.71 -0.43 2.35 -1.08 0.47 115.58 117.78 3hl6 h ASN 202 Ca 0.10 -0.12 0.07 0.00 -0.55 0.00 0.00 56.30 55.80 3hl6 h ASN 202 Cb 0.63 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.70 3hl6 h ASN 202 CO 0.04 0.84 0.47 0.44 -1.65 0.00 0.00 177.43 177.57 3hl6 h ASP 203 N 1.08 0.62 0.11 5.81 5.19 -0.28 -0.09 116.42 128.85 3hl6 h ASP 203 Ca 0.26 0.01 -0.25 0.00 -0.62 0.00 0.00 57.03 56.42 3hl6 h ASP 203 Cb 0.13 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 3hl6 h ASP 203 CO -0.03 0.39 -1.30 -0.07 -3.12 0.00 0.00 179.24 175.11 3hl6 h LEU 204 N 0.70 0.35 -1.97 1.55 3.38 -0.80 -2.59 115.31 115.92 3hl6 h LEU 204 Ca 0.31 -0.85 0.33 0.00 0.09 0.00 0.00 57.88 57.77 3hl6 h LEU 204 Cb 0.33 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 3hl6 h LEU 204 CO -0.11 1.57 0.84 0.50 0.09 0.00 0.00 178.44 181.33 3hl6 h LYS 205 N -0.38 0.00 0.04 1.13 3.64 0.05 0.27 116.57 121.33 3hl6 h LYS 205 Ca -0.28 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.95 3hl6 h LYS 205 Cb 1.69 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.53 3hl6 h LYS 205 CO 0.05 0.00 -0.61 0.00 -2.27 0.00 0.00 179.45 176.62 3hl6 h ALA 206 N 1.39 0.01 -0.12 5.00 0.00 -0.77 -2.70 119.26 122.08 3hl6 h ALA 206 Ca 0.54 -0.60 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 3hl6 h ALA 206 Cb 2.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.05 3hl6 h ALA 206 CO -0.01 0.32 -0.73 0.66 0.00 0.00 0.00 179.25 179.49 3hl6 h SER 207 N -0.26 0.68 -0.23 0.00 4.64 -1.08 -3.33 113.55 113.98 3hl6 h SER 207 Ca -0.09 -0.44 0.02 0.00 -0.47 0.00 0.00 61.79 60.81 3hl6 h SER 207 Cb 1.37 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 3hl6 h SER 207 CO 0.12 1.20 0.10 0.22 -0.87 0.00 0.00 176.83 177.60 3hl6 h TYR 208 N 0.40 0.18 -3.01 4.77 3.20 -0.52 -3.42 116.97 118.57 3hl6 h TYR 208 Ca -0.04 0.01 -0.67 0.00 3.14 0.00 0.00 58.73 61.17 3hl6 h TYR 208 Cb 1.33 -0.05 -0.11 0.00 1.54 0.00 0.00 36.73 39.44 3hl6 h TYR 208 CO 0.06 0.10 -0.56 0.71 -1.64 0.00 0.00 178.16 176.83 3hl6 s TYR 209 N -6.17 3.36 0.04 -3.82 2.02 -1.02 -5.06 117.35 106.69 3hl6 s TYR 209 Ca -0.13 0.34 -0.31 0.00 -0.37 0.00 0.00 57.07 56.60 3hl6 s TYR 209 Cb 0.09 -1.85 -0.06 0.00 -0.40 0.00 0.00 41.96 39.74 3hl6 s TYR 209 CO 0.69 0.59 1.43 -1.54 -1.57 0.00 0.00 175.55 175.16 3hl6 s SER 210 N -1.01 6.81 0.35 2.29 1.04 -1.26 -4.70 113.70 117.21 3hl6 s SER 210 Ca 0.15 2.22 0.15 0.00 0.48 0.00 0.00 55.95 58.94 3hl6 s SER 210 Cb -0.12 -2.57 1.14 0.00 0.10 0.00 0.00 66.02 64.58 3hl6 s SER 210 CO 0.04 -0.72 1.60 0.25 0.98 0.00 0.00 173.24 175.39 3hl6 h LEU 211 N 7.99 0.20 0.00 2.42 5.85 -1.94 0.37 115.31 130.20 3hl6 h LEU 211 Ca -0.40 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3hl6 h LEU 211 Cb 1.19 0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.50 3hl6 h LEU 211 CO 0.90 -0.34 0.00 -1.54 -0.34 0.00 0.00 178.44 177.12 3hl6 n SER 212 N -5.25 0.00 -0.09 1.25 3.41 -1.26 -1.44 113.62 110.23 3hl6 n SER 212 Ca 0.33 0.44 -0.23 0.00 -0.26 0.00 0.00 58.87 59.16 3hl6 n SER 212 Cb 1.09 -0.48 -0.12 0.00 -0.26 0.00 0.00 64.21 64.44 3hl6 n SER 212 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hl6 n LYS 213 N -1.48 0.65 -0.33 4.33 5.02 0.13 -3.13 118.16 123.35 3hl6 n LYS 213 Ca 0.05 0.29 0.23 0.00 -2.02 0.00 0.00 58.31 56.86 3hl6 n LYS 213 Cb 0.21 -1.61 0.50 0.00 -0.02 0.00 0.00 35.03 34.12 3hl6 n LYS 213 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3hl6 h LEU 214 N -0.41 0.46 -0.28 -0.35 4.07 -1.23 -2.01 115.31 115.55 3hl6 h LEU 214 Ca -0.53 0.09 -0.20 0.00 0.08 0.00 0.00 57.88 57.32 3hl6 h LEU 214 Cb 1.75 0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.52 3hl6 h LEU 214 CO -0.15 0.07 -0.75 0.00 -1.08 0.00 0.00 178.44 176.53 3hl6 h ALA 215 N 1.63 0.45 0.00 1.53 0.00 -1.34 -2.50 119.26 119.03 3hl6 h ALA 215 Ca 0.61 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hl6 h ALA 215 Cb 1.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3hl6 h ALA 215 CO -0.32 0.72 0.00 0.00 0.00 0.00 0.00 179.25 179.65 3hl6 n ALA 216 N -2.56 2.24 1.12 0.00 0.00 -0.87 -2.56 120.51 117.87 3hl6 n ALA 216 Ca -0.06 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.42 3hl6 n ALA 216 Cb 0.73 -1.45 0.36 0.00 0.00 0.00 0.00 19.45 19.09 3hl6 n ALA 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hl6 n ALA 217 N -1.58 2.51 0.00 0.00 0.00 -0.81 -5.10 120.51 115.52 3hl6 n ALA 217 Ca 0.06 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.91 3hl6 n ALA 217 Cb 0.34 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3hl6 n ALA 217 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78