#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6h n SER 2 N 0.00 1.92 -2.25 1.61 7.64 -1.26 -4.78 113.62 116.50 1r6h n SER 2 Ca 0.00 0.38 0.01 0.00 1.01 0.00 0.00 58.87 60.27 1r6h n SER 2 Cb 0.00 -0.86 0.04 0.00 -1.01 0.00 0.00 64.21 62.38 1r6h n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r6h n HIS 3 N -4.34 0.52 -4.75 1.43 -0.00 -1.26 -5.09 115.22 101.72 1r6h n HIS 3 Ca -0.42 -1.43 -0.26 0.00 -0.00 0.00 0.00 57.72 55.61 1r6h n HIS 3 Cb 0.76 -0.05 -0.15 0.00 -0.00 0.00 0.00 29.99 30.56 1r6h n HIS 3 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1r6h s MET 4 N -1.97 1.45 0.17 -1.40 1.00 -1.26 -5.15 119.30 112.14 1r6h s MET 4 Ca 0.27 -0.85 0.08 0.00 0.00 0.00 0.00 55.69 55.19 1r6h s MET 4 Cb 0.34 -1.51 -0.04 0.00 0.00 0.00 0.00 34.83 33.62 1r6h s MET 4 CO -0.09 0.39 -0.17 0.00 0.00 0.00 0.00 175.02 175.15 1r6h s ALA 5 N -0.68 1.99 0.32 3.03 0.00 -1.26 -3.16 121.76 121.99 1r6h s ALA 5 Ca 0.07 -1.52 0.06 0.00 0.00 0.00 0.00 51.96 50.57 1r6h s ALA 5 Cb -0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 1r6h s ALA 5 CO 0.01 0.19 0.28 1.03 0.00 0.00 0.00 175.76 177.26 1r6h s ARG 6 N -2.99 1.71 0.62 0.00 1.81 -1.26 -5.07 118.95 113.77 1r6h s ARG 6 Ca 0.17 -1.96 0.00 0.00 -1.72 0.00 0.00 55.73 52.22 1r6h s ARG 6 Cb -0.05 0.33 0.00 0.00 -0.45 0.00 0.00 34.95 34.78 1r6h s ARG 6 CO 0.07 -0.63 0.00 -1.33 -0.68 0.00 0.00 175.30 172.72 1r6h n MET 7 N -0.58 -3.53 -3.69 3.54 2.81 -1.26 -4.89 117.12 109.51 1r6h n MET 7 Ca 0.07 2.85 -0.30 0.00 -1.81 0.00 0.00 57.70 58.51 1r6h n MET 7 Cb 0.63 -3.91 -0.14 0.00 -0.71 0.00 0.00 33.22 29.08 1r6h n MET 7 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1r6h s ASN 8 N -6.76 3.82 0.40 7.83 3.84 -1.26 -5.13 114.94 117.67 1r6h s ASN 8 Ca 0.00 -1.91 -0.23 0.00 0.21 0.00 0.00 52.86 50.94 1r6h s ASN 8 Cb 0.00 -0.84 -0.10 0.00 -0.55 0.00 0.00 41.25 39.76 1r6h s ASN 8 CO 0.00 -0.37 0.96 -0.13 -2.79 0.00 0.00 177.10 174.77 1r6h s ARG 9 N 1.29 4.32 0.27 0.43 0.52 -1.26 -4.99 118.95 119.53 1r6h s ARG 9 Ca 0.12 1.23 -0.30 0.00 -0.52 0.00 0.00 55.73 56.26 1r6h s ARG 9 Cb -0.19 -2.40 -0.14 0.00 0.52 0.00 0.00 34.95 32.74 1r6h s ARG 9 CO -0.17 0.05 1.26 -2.30 0.02 0.00 0.00 175.30 174.15 1r6h n PRO 10 N -0.22 1.78 -2.82 3.54 -0.02 -1.26 -4.96 135.00 131.04 1r6h n PRO 10 Ca 0.05 0.63 -0.37 0.00 -2.02 0.00 0.00 63.50 61.79 1r6h n PRO 10 Cb 0.52 -2.18 -0.06 0.00 -0.02 0.00 0.00 33.50 31.76 1r6h n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r6h s ALA 11 N -0.55 3.26 0.78 3.55 0.00 -1.26 -4.79 121.76 122.75 1r6h s ALA 11 Ca 0.64 0.49 -0.11 0.00 0.00 0.00 0.00 51.96 52.97 1r6h s ALA 11 Cb -0.67 -3.13 0.06 0.00 0.00 0.00 0.00 23.12 19.38 1r6h s ALA 11 CO 0.55 0.20 1.08 -1.25 0.00 0.00 0.00 175.76 176.35 1r6h s PRO 12 N -1.88 2.21 -0.08 0.00 0.04 -1.26 -4.90 135.00 129.13 1r6h s PRO 12 Ca 0.47 0.87 -0.03 0.00 0.04 0.00 0.00 61.00 62.35 1r6h s PRO 12 Cb -0.20 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.47 1r6h s PRO 12 CO 0.25 -1.59 0.17 0.08 0.04 0.00 0.00 177.00 175.95 1r6h s VAL 13 N -3.03 -0.12 -0.22 -0.36 1.01 0.03 -4.95 120.40 112.74 1r6h s VAL 13 Ca 0.61 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.76 1r6h s VAL 13 Cb -0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1r6h s VAL 13 CO 0.55 0.09 0.01 -1.83 0.00 0.00 0.00 175.10 173.93 1r6h s GLU 14 N 1.55 3.54 -0.26 2.72 1.03 -1.26 0.12 118.70 126.14 1r6h s GLU 14 Ca -0.05 -0.54 -0.07 0.00 0.03 0.00 0.00 54.97 54.33 1r6h s GLU 14 Cb -0.12 -3.14 -0.02 0.00 -0.80 0.00 0.00 34.13 30.06 1r6h s GLU 14 CO -0.06 -0.14 0.07 0.08 -1.33 0.00 0.00 175.26 173.88 1r6h s VAL 15 N 1.39 4.21 -0.01 1.83 1.01 -0.42 -4.87 120.40 123.55 1r6h s VAL 15 Ca 0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1r6h s VAL 15 Cb -0.15 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1r6h s VAL 15 CO 0.01 0.27 0.02 -0.94 0.00 0.00 0.00 175.10 174.46 1r6h s SER 16 N 1.58 -0.02 -0.00 3.32 1.04 -1.26 0.17 113.70 118.53 1r6h s SER 16 Ca 0.06 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1r6h s SER 16 Cb -0.16 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1r6h s SER 16 CO 0.03 -0.01 -0.01 -0.72 0.98 0.00 0.00 173.24 173.51 1r6h s TYR 17 N 0.01 0.12 0.00 5.02 1.13 -0.96 -4.99 117.35 117.68 1r6h s TYR 17 Ca -0.00 -0.02 0.00 0.00 -1.41 0.00 0.00 57.07 55.64 1r6h s TYR 17 Cb -0.00 -0.09 0.00 0.00 -1.10 0.00 0.00 41.96 40.77 1r6h s TYR 17 CO 0.00 -0.01 0.00 1.63 -2.51 0.00 0.00 175.55 174.66 1r6h n LYS 18 N 3.11 0.00 0.00 -3.49 4.76 -1.26 -2.96 118.16 118.33 1r6h n LYS 18 Ca -0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 1r6h n LYS 18 Cb 0.59 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 1r6h n LYS 18 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1r6h n HIS 19 N 0.00 0.00 -1.48 2.13 8.25 -1.26 -5.09 115.22 117.77 1r6h n HIS 19 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 1r6h n HIS 19 Cb 0.00 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.19 1r6h n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r6h s MET 20 N -1.53 2.43 0.12 -0.41 0.23 -1.15 -4.82 119.30 114.17 1r6h s MET 20 Ca 0.00 0.89 -0.03 0.00 -1.03 0.00 0.00 55.69 55.52 1r6h s MET 20 Cb 0.00 -1.94 -0.03 0.00 -1.53 0.00 0.00 34.83 31.33 1r6h s MET 20 CO 0.00 -1.44 0.09 1.03 -2.03 0.00 0.00 175.02 172.67 1r6h s ARG 21 N -5.04 0.92 0.09 3.16 3.00 -1.21 -2.27 118.95 117.60 1r6h s ARG 21 Ca 0.60 -1.33 0.04 0.00 0.00 0.00 0.00 55.73 55.04 1r6h s ARG 21 Cb -0.15 0.27 -0.03 0.00 0.00 0.00 0.00 34.95 35.03 1r6h s ARG 21 CO 0.55 -0.27 -0.10 -0.06 0.00 0.00 0.00 175.30 175.42 1r6h s PHE 22 N -4.00 1.04 -0.07 -0.53 0.08 0.45 -3.48 117.98 111.47 1r6h s PHE 22 Ca 0.19 -0.62 0.03 0.00 0.12 0.00 0.00 56.93 56.65 1r6h s PHE 22 Cb 0.07 -0.58 0.01 0.00 -0.57 0.00 0.00 43.02 41.95 1r6h s PHE 22 CO -0.01 -0.00 -0.16 -0.51 -0.10 0.00 0.00 175.22 174.44 1r6h s LEU 23 N -2.29 1.79 -0.33 -0.37 2.01 0.88 -1.29 118.68 119.07 1r6h s LEU 23 Ca 0.03 -0.37 -0.02 0.00 0.01 0.00 0.00 54.13 53.79 1r6h s LEU 23 Cb -0.04 -0.98 0.07 0.00 0.01 0.00 0.00 46.19 45.24 1r6h s LEU 23 CO 0.00 0.08 0.06 -0.63 1.01 0.00 0.00 176.35 176.87 1r6h s ILE 24 N 0.51 3.05 0.26 -0.59 -1.09 0.33 0.14 121.20 123.81 1r6h s ILE 24 Ca -0.14 -1.62 0.03 0.00 -2.23 0.00 0.00 60.65 56.69 1r6h s ILE 24 Cb -0.16 -2.88 -0.05 0.00 -1.58 0.00 0.00 42.46 37.79 1r6h s ILE 24 CO 0.05 -0.30 0.03 -0.89 -1.23 0.00 0.00 174.94 172.59 1r6h s THR 25 N 1.20 1.00 0.45 2.92 2.01 0.85 -0.79 115.64 123.29 1r6h s THR 25 Ca -0.00 -2.02 -0.18 0.00 0.31 0.00 0.00 61.69 59.80 1r6h s THR 25 Cb -0.21 -2.50 -0.09 0.00 0.01 0.00 0.00 72.50 69.71 1r6h s THR 25 CO -0.02 -0.19 0.93 -1.38 -0.69 0.00 0.00 174.62 173.27 1r6h s HIS 26 N -3.44 3.39 0.73 4.92 -3.43 -1.26 0.24 115.29 116.44 1r6h s HIS 26 Ca 0.32 1.47 -0.15 0.00 -0.80 0.00 0.00 55.06 55.90 1r6h s HIS 26 Cb 0.07 -2.77 0.04 0.00 -1.43 0.00 0.00 32.58 28.49 1r6h s HIS 26 CO 0.11 -0.20 1.20 -0.80 -2.00 0.00 0.00 174.74 173.06 1r6h s ASN 27 N -2.63 4.20 0.38 7.38 0.01 -1.26 -4.84 114.94 118.18 1r6h s ASN 27 Ca 0.59 2.34 -0.26 0.00 -0.71 0.00 0.00 52.86 54.82 1r6h s ASN 27 Cb -0.10 -2.59 -0.11 0.00 0.41 0.00 0.00 41.25 38.86 1r6h s ASN 27 CO 0.22 -2.26 1.17 -0.81 -1.51 0.00 0.00 177.10 173.92 1r6h n PRO 28 N -2.75 1.76 -2.97 -0.60 -0.04 -1.26 -5.01 135.00 124.13 1r6h n PRO 28 Ca 0.13 0.62 -0.19 0.00 -0.04 0.00 0.00 63.50 64.03 1r6h n PRO 28 Cb 0.50 -2.20 0.04 0.00 -0.04 0.00 0.00 33.50 31.80 1r6h n PRO 28 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1r6h s THR 29 N -1.17 2.53 -0.96 0.52 -4.23 -1.26 -4.98 115.64 106.10 1r6h s THR 29 Ca 0.60 -0.95 0.22 0.00 -1.18 0.00 0.00 61.69 60.37 1r6h s THR 29 Cb -0.57 -2.59 -0.19 0.00 1.34 0.00 0.00 72.50 70.50 1r6h s THR 29 CO 0.59 0.00 0.99 -3.20 -0.54 0.00 0.00 174.62 172.46 1r6h n ASN 30 N -2.13 0.87 -0.05 3.99 5.15 -1.26 -4.38 115.26 117.45 1r6h n ASN 30 Ca 0.12 -0.81 -0.10 0.00 -0.60 0.00 0.00 54.58 53.20 1r6h n ASN 30 Cb 0.60 0.88 -0.15 0.00 -0.53 0.00 0.00 39.78 40.59 1r6h n ASN 30 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1r6h n ALA 31 N -1.53 1.48 -3.48 5.20 0.00 -1.26 -4.79 120.51 116.13 1r6h n ALA 31 Ca 0.04 -0.96 -0.29 0.00 0.00 0.00 0.00 53.44 52.23 1r6h n ALA 31 Cb 0.34 -0.61 -0.12 0.00 0.00 0.00 0.00 19.45 19.06 1r6h n ALA 31 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1r6h s THR 32 N -2.56 0.23 -0.13 0.00 -4.23 -1.26 -4.98 115.64 102.70 1r6h s THR 32 Ca -0.07 -1.77 -0.23 0.00 -1.18 0.00 0.00 61.69 58.44 1r6h s THR 32 Cb 0.07 -1.18 -0.20 0.00 1.34 0.00 0.00 72.50 72.53 1r6h s THR 32 CO 0.82 -0.98 0.60 -0.07 -0.54 0.00 0.00 174.62 174.45 1r6h h LEU 33 N 7.00 -0.00 -0.65 4.79 -0.00 -1.87 -3.30 115.31 121.28 1r6h h LEU 33 Ca 0.05 -0.78 0.04 0.00 -0.00 0.00 0.00 57.88 57.20 1r6h h LEU 33 Cb 0.97 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.58 1r6h h LEU 33 CO 0.28 0.89 0.38 -1.28 -0.00 0.00 0.00 178.44 178.71 1r6h h SER 34 N -1.00 0.59 -0.49 -0.43 0.87 -1.96 -1.84 113.55 109.29 1r6h h SER 34 Ca -0.00 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.63 1r6h h SER 34 Cb 0.78 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.61 1r6h h SER 34 CO 0.00 0.40 0.33 0.74 -0.53 0.00 0.00 176.83 177.76 1r6h h THR 35 N 0.72 0.98 -0.03 2.23 2.02 -1.98 -2.30 112.91 114.55 1r6h h THR 35 Ca 0.28 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.26 1r6h h THR 35 Cb 0.11 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1r6h h THR 35 CO -0.15 0.08 -0.17 0.15 0.37 0.00 0.00 175.52 175.80 1r6h h PHE 36 N 0.43 0.22 -0.98 3.16 3.04 -1.42 -2.68 116.94 118.71 1r6h h PHE 36 Ca 0.21 -0.10 0.09 0.00 3.98 0.00 0.00 57.97 62.15 1r6h h PHE 36 Cb 0.29 -0.03 -0.07 0.00 2.56 0.00 0.00 35.95 38.69 1r6h h PHE 36 CO -0.00 0.82 0.63 -0.84 -2.02 0.00 0.00 178.31 176.90 1r6h h ILE 37 N -0.43 0.99 0.17 1.41 3.07 -1.15 0.38 117.51 121.96 1r6h h ILE 37 Ca -0.01 -0.36 -0.01 0.00 1.55 0.00 0.00 64.86 66.03 1r6h h ILE 37 Cb 0.84 -0.14 0.00 0.00 -0.27 0.00 0.00 36.82 37.26 1r6h h ILE 37 CO 0.03 0.19 -0.08 -0.33 -1.05 0.00 0.00 178.15 176.91 1r6h h GLU 38 N 1.04 -0.22 0.01 0.16 5.08 -1.46 -0.27 114.58 118.91 1r6h h GLU 38 Ca 0.45 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.83 1r6h h GLU 38 Cb 0.35 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1r6h h GLU 38 CO -0.21 0.01 -0.00 -0.44 -1.00 0.00 0.00 179.01 177.37 1r6h h ASP 39 N -0.44 -0.01 -0.64 1.42 5.19 -1.09 0.91 116.42 121.78 1r6h h ASP 39 Ca -0.02 -0.44 0.06 0.00 -0.62 0.00 0.00 57.03 56.00 1r6h h ASP 39 Cb 0.34 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.80 1r6h h ASP 39 CO 0.04 0.44 0.34 -0.07 -3.12 0.00 0.00 179.24 176.87 1r6h h LEU 40 N -0.46 0.49 -0.25 1.55 3.38 -0.34 -0.63 115.31 119.05 1r6h h LEU 40 Ca -0.00 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1r6h h LEU 40 Cb 0.45 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1r6h h LEU 40 CO 0.00 0.32 -0.60 0.50 0.09 0.00 0.00 178.44 178.75 1r6h h LYS 41 N 0.63 0.00 -0.66 1.13 3.64 -1.05 -3.28 116.57 116.98 1r6h h LYS 41 Ca 0.29 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.78 1r6h h LYS 41 Cb 0.20 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.94 1r6h h LYS 41 CO -0.19 0.60 0.24 0.87 -2.27 0.00 0.00 179.45 178.70 1r6h h LYS 42 N 0.00 0.40 -0.66 1.90 1.57 0.25 -0.88 116.57 119.14 1r6h h LYS 42 Ca -0.01 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1r6h h LYS 42 Cb 1.35 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.54 1r6h h LYS 42 CO 0.08 0.26 0.21 -0.92 -0.57 0.00 0.00 179.45 178.51 1r6h h TYR 43 N 0.41 1.02 0.00 -1.35 5.03 -1.54 -3.48 116.97 117.05 1r6h h TYR 43 Ca 0.34 -0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.57 1r6h h TYR 43 Cb 0.46 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.44 1r6h h TYR 43 CO -0.18 0.81 0.00 0.41 -1.32 0.00 0.00 178.16 177.88 1r6h n GLY 44 N -0.87 -2.28 2.87 1.82 0.00 -0.34 -4.96 105.19 101.43 1r6h n GLY 44 Ca 0.05 -1.23 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 1r6h n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r6h s ALA 45 N -1.79 1.26 0.02 4.61 0.00 -1.25 -4.39 121.76 120.22 1r6h s ALA 45 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 1r6h s ALA 45 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.16 1r6h s ALA 45 CO 0.00 -0.58 0.06 2.41 0.00 0.00 0.00 175.76 177.64 1r6h n THR 46 N 4.96 0.00 -1.65 0.00 -1.04 0.17 -4.08 114.28 112.64 1r6h n THR 46 Ca -0.11 -0.05 -0.34 0.00 -2.04 0.00 0.00 64.05 61.51 1r6h n THR 46 Cb 0.49 0.05 0.07 0.00 -1.82 0.00 0.00 70.33 69.12 1r6h n THR 46 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1r6h s THR 47 N -2.71 2.61 -0.04 12.58 -1.32 -1.26 -4.16 115.64 121.35 1r6h s THR 47 Ca 0.01 0.31 0.02 0.00 -1.21 0.00 0.00 61.69 60.83 1r6h s THR 47 Cb -0.00 -2.91 0.01 0.00 -1.51 0.00 0.00 72.50 68.08 1r6h s THR 47 CO 0.01 -0.15 -0.09 -0.69 -2.21 0.00 0.00 174.62 171.49 1r6h s VAL 48 N -1.98 0.86 -0.34 5.08 1.01 0.98 -2.61 120.40 123.41 1r6h s VAL 48 Ca 0.73 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 1r6h s VAL 48 Cb -0.27 -0.78 0.08 0.00 0.00 0.00 0.00 36.38 35.40 1r6h s VAL 48 CO 0.41 0.28 0.06 0.54 0.00 0.00 0.00 175.10 176.39 1r6h s VAL 49 N 0.42 2.89 -0.29 2.92 0.11 -0.17 0.53 120.40 126.80 1r6h s VAL 49 Ca -0.07 -1.76 -0.02 0.00 -2.93 0.00 0.00 61.98 57.19 1r6h s VAL 49 Cb -0.12 -2.83 0.04 0.00 -1.53 0.00 0.00 36.38 31.94 1r6h s VAL 49 CO 0.01 -0.35 -0.00 0.00 -3.33 0.00 0.00 175.10 171.43 1r6h s ARG 50 N 1.15 2.54 -0.72 1.54 1.70 -1.13 -2.32 118.95 121.70 1r6h s ARG 50 Ca 0.01 -1.19 -0.11 0.00 -0.47 0.00 0.00 55.73 53.97 1r6h s ARG 50 Cb -0.21 -3.17 0.19 0.00 -0.57 0.00 0.00 34.95 31.19 1r6h s ARG 50 CO -0.03 -0.58 0.62 0.08 -1.08 0.00 0.00 175.30 174.31 1r6h s VAL 51 N 1.28 4.93 0.29 4.99 1.01 -1.26 -2.58 120.40 129.06 1r6h s VAL 51 Ca -0.04 -2.50 -0.18 0.00 0.00 0.00 0.00 61.98 59.26 1r6h s VAL 51 Cb -0.19 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.10 1r6h s VAL 51 CO -0.01 -0.96 0.66 0.00 0.00 0.00 0.00 175.10 174.80 1r6h s GLU 53 N -3.72 4.23 -0.14 0.00 0.41 -1.26 -4.12 118.70 114.09 1r6h s GLU 53 Ca 0.15 2.32 -0.29 0.00 -0.41 0.00 0.00 54.97 56.74 1r6h s GLU 53 Cb -0.04 -3.16 -0.01 0.00 -1.78 0.00 0.00 34.13 29.13 1r6h s GLU 53 CO 0.08 -0.57 1.17 0.08 -0.49 0.00 0.00 175.26 175.53 1r6h s VAL 54 N 1.04 4.41 0.00 2.63 1.01 -1.26 -4.86 120.40 123.37 1r6h s VAL 54 Ca 0.69 1.71 0.00 0.00 0.00 0.00 0.00 61.98 64.37 1r6h s VAL 54 Cb -0.43 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 31.85 1r6h s VAL 54 CO 0.32 -0.09 0.00 0.35 0.00 0.00 0.00 175.10 175.68 1r6h n THR 55 N 5.04 0.00 -3.65 3.92 -2.24 -1.26 -4.94 114.28 111.15 1r6h n THR 55 Ca 0.12 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.62 1r6h n THR 55 Cb 0.46 -1.27 -0.12 0.00 -2.10 0.00 0.00 70.33 67.30 1r6h n THR 55 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1r6h s TYR 56 N -2.00 2.09 0.07 4.78 2.02 -1.26 -4.96 117.35 118.09 1r6h s TYR 56 Ca 0.00 -2.62 -0.09 0.00 -0.37 0.00 0.00 57.07 53.99 1r6h s TYR 56 Cb 0.00 -1.76 -0.28 0.00 -0.40 0.00 0.00 41.96 39.52 1r6h s TYR 56 CO 0.00 -0.73 1.12 0.22 -1.57 0.00 0.00 175.55 174.59 1r6h h ASP 57 N 6.00 0.62 0.04 2.29 3.58 -1.99 -3.36 116.42 123.61 1r6h h ASP 57 Ca 0.13 -0.63 -0.06 0.00 0.42 0.00 0.00 57.03 56.89 1r6h h ASP 57 Cb 0.87 -0.20 0.01 0.00 1.72 0.00 0.00 39.33 41.73 1r6h h ASP 57 CO 0.50 1.47 -0.24 0.50 -2.88 0.00 0.00 179.24 178.59 1r6h h LYS 58 N 0.15 0.09 -0.59 0.28 3.64 -1.99 -3.28 116.57 114.86 1r6h h LYS 58 Ca -0.17 -0.15 0.11 0.00 -1.27 0.00 0.00 60.65 59.17 1r6h h LYS 58 Cb 1.97 0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 33.73 1r6h h LYS 58 CO 0.22 1.07 -0.29 1.15 -2.27 0.00 0.00 179.45 179.33 1r6h h THR 59 N -0.82 0.22 -0.15 1.00 2.02 -1.98 0.35 112.91 113.55 1r6h h THR 59 Ca -0.04 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 66.98 1r6h h THR 59 Cb 1.19 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1r6h h THR 59 CO 0.04 0.00 -0.50 -0.65 0.37 0.00 0.00 175.52 174.78 1r6h h PRO 60 N -0.13 0.61 -0.13 6.66 0.11 -1.75 -2.68 132.00 134.68 1r6h h PRO 60 Ca 0.25 -0.45 -0.09 0.00 0.11 0.00 0.00 66.00 65.82 1r6h h PRO 60 Cb 0.54 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1r6h h PRO 60 CO -0.67 1.07 -0.27 1.25 -0.21 0.00 0.00 178.00 179.17 1r6h h LEU 61 N 0.26 0.47 -1.45 2.35 6.46 -1.56 -2.11 115.31 119.74 1r6h h LEU 61 Ca -0.02 -0.56 -0.06 0.00 -0.12 0.00 0.00 57.88 57.12 1r6h h LEU 61 Cb 1.12 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.91 1r6h h LEU 61 CO 0.11 0.94 -0.28 -0.08 -0.62 0.00 0.00 178.44 178.51 1r6h h GLU 62 N 0.02 0.00 0.10 1.25 4.81 -0.42 0.94 114.58 121.28 1r6h h GLU 62 Ca 0.00 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.97 1r6h h GLU 62 Cb 0.87 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 1r6h h GLU 62 CO 0.06 0.28 -1.23 0.87 -0.73 0.00 0.00 179.01 178.26 1r6h h LYS 63 N 0.00 0.21 0.00 1.92 1.57 -1.46 -3.34 116.57 115.48 1r6h h LYS 63 Ca -0.00 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1r6h h LYS 63 Cb 0.54 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1r6h h LYS 63 CO 0.04 1.16 -1.07 -0.40 -0.57 0.00 0.00 179.45 178.61 1r6h n ASP 64 N -3.48 0.85 -3.10 0.86 5.68 -0.80 -4.98 116.55 111.58 1r6h n ASP 64 Ca -0.08 -0.84 -0.22 0.00 -0.50 0.00 0.00 54.79 53.16 1r6h n ASP 64 Cb 1.01 1.12 0.01 0.00 -1.14 0.00 0.00 41.12 42.13 1r6h n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r6h n GLY 65 N 1.45 -0.50 3.68 6.12 0.00 0.32 -4.97 105.19 111.29 1r6h n GLY 65 Ca 0.03 0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1r6h n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r6h s ILE 66 N -3.00 4.04 0.08 -0.61 1.01 -1.22 -5.06 121.20 116.44 1r6h s ILE 66 Ca 0.31 -0.81 -0.30 0.00 0.00 0.00 0.00 60.65 59.84 1r6h s ILE 66 Cb -0.15 -2.86 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 1r6h s ILE 66 CO 0.38 0.25 1.02 0.28 0.00 0.00 0.00 174.94 176.87 1r6h s THR 67 N -1.19 4.44 0.01 2.92 -1.32 -1.26 -4.84 115.64 114.40 1r6h s THR 67 Ca 0.22 1.90 -0.08 0.00 -1.21 0.00 0.00 61.69 62.53 1r6h s THR 67 Cb -0.12 -4.22 0.00 0.00 -1.51 0.00 0.00 72.50 66.66 1r6h s THR 67 CO 0.14 0.23 0.14 0.54 -2.21 0.00 0.00 174.62 173.47 1r6h s VAL 68 N 0.41 0.09 -0.17 5.08 0.11 -1.26 -0.02 120.40 124.65 1r6h s VAL 68 Ca 0.51 -0.76 -0.07 0.00 -2.93 0.00 0.00 61.98 58.73 1r6h s VAL 68 Cb -0.25 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 1r6h s VAL 68 CO 0.30 -0.42 0.07 -0.69 -3.33 0.00 0.00 175.10 171.03 1r6h s VAL 69 N -1.67 4.87 -0.44 2.04 1.01 0.19 -4.89 120.40 121.50 1r6h s VAL 69 Ca -0.12 -0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.70 1r6h s VAL 69 Cb -0.06 -3.17 0.06 0.00 0.00 0.00 0.00 36.38 33.20 1r6h s VAL 69 CO 0.00 0.49 0.34 -0.62 0.00 0.00 0.00 175.10 175.31 1r6h s ASP 70 N 0.10 6.04 -0.39 3.32 2.15 -1.26 -2.84 116.67 123.79 1r6h s ASP 70 Ca 0.06 -1.22 -0.05 0.00 0.43 0.00 0.00 52.55 51.77 1r6h s ASP 70 Cb -0.12 -2.14 0.09 0.00 -0.30 0.00 0.00 42.92 40.44 1r6h s ASP 70 CO 0.00 -0.56 0.18 0.26 -0.17 0.00 0.00 175.17 174.88 1r6h s TRP 71 N 1.62 3.43 0.33 -5.34 0.52 -1.07 -5.06 118.94 113.37 1r6h s TRP 71 Ca 0.04 -1.96 0.07 0.00 0.02 0.00 0.00 56.10 54.27 1r6h s TRP 71 Cb -0.22 -2.89 -0.03 0.00 -1.15 0.00 0.00 33.47 29.18 1r6h s TRP 71 CO 0.07 -0.89 0.29 -1.25 0.02 0.00 0.00 176.95 175.18 1r6h s PRO 72 N 1.27 2.75 -0.38 4.98 0.04 -1.26 -1.22 135.00 141.17 1r6h s PRO 72 Ca 0.03 -1.27 0.02 0.00 0.04 0.00 0.00 61.00 59.82 1r6h s PRO 72 Cb -0.22 -2.49 0.11 0.00 0.04 0.00 0.00 34.50 31.94 1r6h s PRO 72 CO -0.01 0.12 0.14 0.12 0.04 0.00 0.00 177.00 177.42 1r6h s PHE 73 N -2.29 2.58 0.07 0.56 2.19 -1.26 -4.83 117.98 114.99 1r6h s PHE 73 Ca 0.40 -2.49 0.00 0.00 0.33 0.00 0.00 56.93 55.18 1r6h s PHE 73 Cb -0.06 -2.27 -0.00 0.00 -1.31 0.00 0.00 43.02 39.38 1r6h s PHE 73 CO 0.26 -0.85 0.01 -0.40 1.83 0.00 0.00 175.22 176.07 1r6h n ASP 74 N 4.09 1.59 0.10 6.13 5.75 -1.26 -4.96 116.55 127.99 1r6h n ASP 74 Ca 0.03 -1.33 0.19 0.00 -0.01 0.00 0.00 54.79 53.68 1r6h n ASP 74 Cb 0.39 0.10 0.75 0.00 -1.03 0.00 0.00 41.12 41.33 1r6h n ASP 74 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1r6h h ASP 75 N 0.21 0.00 -0.92 -1.12 3.32 -2.07 -1.25 116.42 114.59 1r6h h ASP 75 Ca -0.05 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.40 1r6h h ASP 75 Cb 0.18 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.34 1r6h h ASP 75 CO 0.09 0.00 -0.35 0.61 -1.72 0.00 0.00 179.24 177.87 1r6h n GLY 76 N -1.51 6.22 3.63 2.75 0.00 -1.26 -5.01 105.19 110.01 1r6h n GLY 76 Ca 0.06 -2.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.07 1r6h n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r6h s ALA 77 N -3.66 3.62 -0.27 4.61 0.00 -0.47 -4.99 121.76 120.59 1r6h s ALA 77 Ca 0.54 -0.24 -0.28 0.00 0.00 0.00 0.00 51.96 51.99 1r6h s ALA 77 Cb 0.43 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 20.25 1r6h s ALA 77 CO -0.01 -0.97 2.27 -0.35 0.00 0.00 0.00 175.76 176.70 1r6h n PRO 78 N 6.01 1.79 0.17 0.00 -0.04 -1.26 -4.88 135.00 136.79 1r6h n PRO 78 Ca 0.04 0.43 0.06 0.00 -0.04 0.00 0.00 63.50 63.99 1r6h n PRO 78 Cb 0.48 -3.29 0.14 0.00 -0.04 0.00 0.00 33.50 30.80 1r6h n PRO 78 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1r6h h PRO 79 N 16.01 0.00 -7.14 0.54 0.13 -2.00 -3.45 132.00 136.09 1r6h h PRO 79 Ca -0.38 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.23 1r6h h PRO 79 Cb 1.25 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.50 1r6h h PRO 79 CO 1.00 0.34 0.42 -1.25 -0.23 0.00 0.00 178.00 178.28 1r6h s PRO 80 N -3.15 2.69 0.66 1.56 0.04 -1.26 -4.89 135.00 130.65 1r6h s PRO 80 Ca 0.04 1.70 0.36 0.00 0.04 0.00 0.00 61.00 63.15 1r6h s PRO 80 Cb 0.07 -1.91 1.99 0.00 0.04 0.00 0.00 34.50 34.70 1r6h s PRO 80 CO 0.71 -1.40 2.14 0.78 0.04 0.00 0.00 177.00 179.27 1r6h h GLY 81 N 0.35 0.00 0.28 0.56 0.00 -2.01 -2.49 103.07 99.76 1r6h h GLY 81 Ca -0.49 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.06 1r6h h GLY 81 CO 0.53 0.00 0.60 1.70 0.00 0.00 0.00 176.54 179.38 1r6h h LYS 82 N 0.00 0.32 -0.37 4.80 3.64 -1.95 0.12 116.57 123.13 1r6h h LYS 82 Ca 0.01 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1r6h h LYS 82 Cb 0.36 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 1r6h h LYS 82 CO -0.00 0.21 -0.01 -0.39 -2.27 0.00 0.00 179.45 176.99 1r6h h VAL 83 N 0.33 0.72 -0.80 2.00 -1.51 -1.76 0.80 116.25 116.03 1r6h h VAL 83 Ca 0.46 -0.03 0.10 0.00 -1.23 0.00 0.00 66.70 66.01 1r6h h VAL 83 Cb 1.27 0.62 -0.08 0.00 -2.13 0.00 0.00 31.29 30.98 1r6h h VAL 83 CO -0.15 0.02 0.43 0.58 -1.23 0.00 0.00 177.57 177.22 1r6h h VAL 84 N 0.09 0.86 -0.48 7.19 2.07 -0.98 0.39 116.25 125.39 1r6h h VAL 84 Ca 0.18 -0.24 0.11 0.00 0.82 0.00 0.00 66.70 67.56 1r6h h VAL 84 Cb 0.25 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1r6h h VAL 84 CO -0.31 0.13 0.33 -0.33 0.02 0.00 0.00 177.57 177.42 1r6h h GLU 85 N 0.71 0.16 0.02 1.57 4.39 -0.55 0.29 114.58 121.17 1r6h h GLU 85 Ca 0.39 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.08 1r6h h GLU 85 Cb 0.41 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1r6h h GLU 85 CO -0.27 0.11 -0.01 0.22 -1.16 0.00 0.00 179.01 177.90 1r6h h ASP 86 N 0.17 -0.03 0.46 1.42 1.82 0.87 -2.12 116.42 119.02 1r6h h ASP 86 Ca 0.23 -0.41 -0.07 0.00 -0.39 0.00 0.00 57.03 56.39 1r6h h ASP 86 Cb 0.67 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.68 1r6h h ASP 86 CO -0.03 0.40 -0.32 -0.25 -1.61 0.00 0.00 179.24 177.43 1r6h h TRP 87 N -0.46 0.00 -0.48 0.28 2.91 -0.89 -2.50 115.95 114.82 1r6h h TRP 87 Ca -0.00 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.99 1r6h h TRP 87 Cb 0.43 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.06 1r6h h TRP 87 CO 0.07 0.32 0.18 -0.07 -1.03 0.00 0.00 178.44 177.90 1r6h h LEU 88 N 0.00 0.67 -0.58 0.65 3.38 -0.34 -0.82 115.31 118.28 1r6h h LEU 88 Ca -0.00 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1r6h h LEU 88 Cb 0.63 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1r6h h LEU 88 CO 0.04 0.67 0.09 -1.28 0.09 0.00 0.00 178.44 178.05 1r6h h SER 89 N 0.63 0.92 0.10 -0.43 0.87 -1.07 0.58 113.55 115.15 1r6h h SER 89 Ca 0.16 -0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1r6h h SER 89 Cb 0.22 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1r6h h SER 89 CO -0.01 0.95 -0.07 0.25 -0.53 0.00 0.00 176.83 177.41 1r6h h LEU 90 N 0.85 -0.19 -0.52 2.23 7.12 -1.18 -0.84 115.31 122.78 1r6h h LEU 90 Ca 0.17 0.02 -0.16 0.00 0.13 0.00 0.00 57.88 58.04 1r6h h LEU 90 Cb 0.42 0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.60 1r6h h LEU 90 CO 0.01 -0.12 -0.56 1.62 -0.13 0.00 0.00 178.44 179.26 1r6h h VAL 91 N -0.18 1.33 -0.47 1.05 3.04 -1.06 -2.47 116.25 117.49 1r6h h VAL 91 Ca -0.00 -1.82 0.03 0.00 -1.01 0.00 0.00 66.70 63.90 1r6h h VAL 91 Cb 0.16 1.80 -0.04 0.00 -2.01 0.00 0.00 31.29 31.20 1r6h h VAL 91 CO -0.00 0.56 0.25 0.11 -1.01 0.00 0.00 177.57 177.48 1r6h h LYS 92 N 0.40 0.49 -0.49 4.17 1.57 0.40 0.81 116.57 123.92 1r6h h LYS 92 Ca 0.00 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1r6h h LYS 92 Cb 1.10 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1r6h h LYS 92 CO 0.10 0.32 -0.11 0.00 -0.57 0.00 0.00 179.45 179.20 1r6h h ALA 93 N 1.23 0.68 0.00 3.86 0.00 -1.13 -1.19 119.26 122.71 1r6h h ALA 93 Ca 0.20 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1r6h h ALA 93 Cb 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1r6h h ALA 93 CO -0.12 0.58 -0.24 0.87 0.00 0.00 0.00 179.25 180.34 1r6h h LYS 94 N 0.80 0.00 0.01 0.00 6.56 -0.93 -1.75 116.57 121.25 1r6h h LYS 94 Ca 0.13 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.72 1r6h h LYS 94 Cb 0.66 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.32 1r6h h LYS 94 CO 0.05 0.24 -0.00 0.74 -2.06 0.00 0.00 179.45 178.41 1r6h h PHE 95 N 0.00 -0.01 -0.47 -1.35 -1.00 0.93 -1.55 116.94 113.49 1r6h h PHE 95 Ca -0.00 -0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 1r6h h PHE 95 Cb 0.79 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.34 1r6h h PHE 95 CO 0.00 0.76 0.01 0.00 -1.61 0.00 0.00 178.31 177.47 1r6h h GLU 97 N 0.73 0.20 -3.20 0.00 4.81 -1.44 -3.39 114.58 112.28 1r6h h GLU 97 Ca 0.14 -0.22 -0.63 0.00 -0.13 0.00 0.00 59.36 58.53 1r6h h GLU 97 Cb 0.43 0.06 -0.41 0.00 0.63 0.00 0.00 28.75 29.47 1r6h h GLU 97 CO 0.02 0.96 -0.66 0.00 -0.73 0.00 0.00 179.01 178.59 1r6h s ALA 98 N -3.20 2.97 0.12 2.92 0.00 -0.58 -5.07 121.76 118.92 1r6h s ALA 98 Ca -0.03 -3.12 -0.31 0.00 0.00 0.00 0.00 51.96 48.51 1r6h s ALA 98 Cb 0.10 -2.06 -0.08 0.00 0.00 0.00 0.00 23.12 21.08 1r6h s ALA 98 CO 0.83 -2.04 1.33 -2.14 0.00 0.00 0.00 175.76 173.74 1r6h s PRO 99 N -0.23 4.36 -1.11 0.00 0.02 -1.18 -3.67 135.00 133.19 1r6h s PRO 99 Ca 0.18 2.00 -0.08 0.00 0.02 0.00 0.00 61.00 63.13 1r6h s PRO 99 Cb -0.22 -3.26 -0.04 0.00 0.02 0.00 0.00 34.50 30.99 1r6h s PRO 99 CO -0.02 -0.36 0.88 0.41 -0.33 0.00 0.00 177.00 177.58 1r6h n GLY 100 N 3.25 -0.95 0.00 0.52 0.00 -1.26 -4.99 105.19 101.76 1r6h n GLY 100 Ca 0.10 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1r6h n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r6h n SER 101 N -3.09 0.11 -4.02 1.61 7.64 -1.24 -4.77 113.62 109.87 1r6h n SER 101 Ca -0.12 -0.44 -0.31 0.00 1.01 0.00 0.00 58.87 59.00 1r6h n SER 101 Cb 0.63 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.67 1r6h n SER 101 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r6h s VAL 103 N 1.32 4.22 -0.02 0.00 1.01 -1.23 0.41 120.40 126.12 1r6h s VAL 103 Ca -0.03 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.06 1r6h s VAL 103 Cb -0.17 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 1r6h s VAL 103 CO -0.08 0.07 -0.23 0.00 0.00 0.00 0.00 175.10 174.86 1r6h s ALA 104 N -1.43 1.92 0.15 5.51 0.00 -1.07 -0.08 121.76 126.76 1r6h s ALA 104 Ca 0.28 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 1r6h s ALA 104 Cb -0.11 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 1r6h s ALA 104 CO 0.20 0.47 0.08 0.08 0.00 0.00 0.00 175.76 176.59 1r6h s VAL 105 N -0.54 0.07 0.73 0.00 1.01 0.38 -1.00 120.40 121.05 1r6h s VAL 105 Ca 0.09 -1.93 -0.14 0.00 0.00 0.00 0.00 61.98 60.00 1r6h s VAL 105 Cb -0.09 -2.18 0.04 0.00 0.00 0.00 0.00 36.38 34.15 1r6h s VAL 105 CO -0.01 -0.33 1.14 -2.28 0.00 0.00 0.00 175.10 173.62 1r6h s HIS 106 N -4.08 2.35 -0.47 5.22 5.65 -0.98 -0.11 115.29 122.87 1r6h s HIS 106 Ca 0.28 1.59 -0.27 0.00 0.25 0.00 0.00 55.06 56.91 1r6h s HIS 106 Cb 0.07 -3.24 -0.02 0.00 -1.18 0.00 0.00 32.58 28.21 1r6h s HIS 106 CO 0.05 -2.08 1.88 0.00 -0.65 0.00 0.00 174.74 173.94 1r6h n VAL 108 N 7.37 0.00 0.02 0.00 0.24 -1.26 -3.84 118.33 120.86 1r6h n VAL 108 Ca 0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.53 1r6h n VAL 108 Cb 0.50 -0.60 0.01 0.00 -1.47 0.00 0.00 33.84 32.28 1r6h n VAL 108 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1r6h n ALA 109 N -0.99 1.10 -2.93 2.33 0.00 -1.26 -4.17 120.51 114.58 1r6h n ALA 109 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1r6h n ALA 109 Cb 0.08 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1r6h n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r6h n GLY 110 N -1.37 2.74 3.01 0.00 0.00 -1.25 -5.03 105.19 103.29 1r6h n GLY 110 Ca 0.00 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 1r6h n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r6h s LEU 111 N 0.00 1.58 0.00 0.99 1.02 -1.26 -4.18 118.68 116.83 1r6h s LEU 111 Ca 0.00 -0.33 0.00 0.00 0.02 0.00 0.00 54.13 53.82 1r6h s LEU 111 Cb 0.00 -0.88 0.00 0.00 0.02 0.00 0.00 46.19 45.33 1r6h s LEU 111 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 176.35 176.98 1r6h n GLY 112 N 4.09 2.72 0.00 -3.19 0.00 -1.26 -4.93 105.19 102.63 1r6h n GLY 112 Ca -0.20 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1r6h n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r6h n ARG 113 N 0.00 2.39 -0.23 1.61 3.00 -1.26 -4.40 116.66 117.77 1r6h n ARG 113 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.85 57.88 1r6h n ARG 113 Cb 0.00 -0.94 0.15 0.00 0.00 0.00 0.00 32.46 31.67 1r6h n ARG 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1r6h h ALA 114 N 0.00 0.85 -0.50 7.54 0.00 -1.90 -2.71 119.26 122.54 1r6h h ALA 114 Ca 0.00 0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.16 1r6h h ALA 114 Cb 0.53 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 1r6h h ALA 114 CO 0.00 -0.32 0.00 -1.00 0.00 0.00 0.00 179.25 177.93 1r6h h PRO 115 N 0.27 0.11 -0.30 0.00 0.13 -1.87 0.27 132.00 130.61 1r6h h PRO 115 Ca 0.37 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.49 1r6h h PRO 115 Cb 0.61 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1r6h h PRO 115 CO -0.47 0.08 0.16 0.28 -0.23 0.00 0.00 178.00 177.82 1r6h h VAL 116 N 0.12 1.13 -0.52 1.56 2.07 -1.83 -2.60 116.25 116.18 1r6h h VAL 116 Ca 0.25 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.50 1r6h h VAL 116 Cb 0.38 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 1r6h h VAL 116 CO -0.42 0.13 0.18 -0.07 0.02 0.00 0.00 177.57 177.41 1r6h h LEU 117 N 0.37 0.17 0.34 2.57 3.38 -1.11 -1.75 115.31 119.27 1r6h h LEU 117 Ca 0.11 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1r6h h LEU 117 Cb 0.07 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1r6h h LEU 117 CO -0.02 0.12 -0.28 0.58 0.09 0.00 0.00 178.44 178.93 1r6h h VAL 118 N 0.35 0.41 -0.43 1.22 2.07 -0.74 -1.57 116.25 117.56 1r6h h VAL 118 Ca 0.25 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.85 1r6h h VAL 118 Cb 0.29 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 1r6h h VAL 118 CO -0.27 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.32 1r6h h ALA 119 N -0.06 0.40 -0.14 1.67 0.00 -1.23 -0.11 119.26 119.78 1r6h h ALA 119 Ca -0.02 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1r6h h ALA 119 Cb 0.56 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1r6h h ALA 119 CO -0.02 -0.39 0.10 -0.07 0.00 0.00 0.00 179.25 178.87 1r6h h LEU 120 N 0.11 0.06 -0.18 0.00 3.38 -1.13 -0.47 115.31 117.08 1r6h h LEU 120 Ca 0.21 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.03 1r6h h LEU 120 Cb 0.31 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1r6h h LEU 120 CO -0.36 0.04 -0.48 0.00 0.09 0.00 0.00 178.44 177.73 1r6h h ALA 121 N 1.92 0.30 0.00 1.53 0.00 -0.02 -2.89 119.26 120.11 1r6h h ALA 121 Ca 0.06 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1r6h h ALA 121 Cb 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1r6h h ALA 121 CO -0.01 0.47 0.00 1.25 0.00 0.00 0.00 179.25 180.96 1r6h h LEU 122 N 0.33 0.00 -1.90 0.00 6.46 -0.40 -2.97 115.31 116.82 1r6h h LEU 122 Ca -0.01 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.82 1r6h h LEU 122 Cb 1.10 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.01 1r6h h LEU 122 CO 0.10 0.00 0.23 0.40 -0.62 0.00 0.00 178.44 178.56 1r6h h ILE 123 N 0.00 0.89 0.00 4.05 2.04 -0.89 -1.23 117.51 122.37 1r6h h ILE 123 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1r6h h ILE 123 Cb 0.43 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1r6h h ILE 123 CO 0.00 0.02 0.05 -0.08 0.00 0.00 0.00 178.15 178.14 1r6h h GLU 124 N 0.12 0.00 -0.19 2.37 4.22 -1.66 -2.47 114.58 116.97 1r6h h GLU 124 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.59 1r6h h GLU 124 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1r6h h GLU 124 CO -0.02 0.00 0.00 0.45 -2.18 0.00 0.00 179.01 177.26 1r6h n SER 125 N -2.41 0.51 0.00 1.04 2.88 -0.46 -4.95 113.62 110.23 1r6h n SER 125 Ca -0.02 -2.01 0.00 0.00 -1.33 0.00 0.00 58.87 55.51 1r6h n SER 125 Cb 0.09 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 1r6h n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r6h n GLY 126 N 0.54 2.13 3.52 0.46 0.00 -0.93 -4.94 105.19 105.97 1r6h n GLY 126 Ca 0.02 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 1r6h n GLY 126 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1r6h n MET 127 N 0.00 0.50 0.12 1.61 -0.00 -1.26 -4.71 117.12 113.38 1r6h n MET 127 Ca 0.00 -1.72 -0.05 0.00 -0.00 0.00 0.00 57.70 55.93 1r6h n MET 127 Cb 0.00 -3.50 -0.02 0.00 -0.00 0.00 0.00 33.22 29.70 1r6h n MET 127 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1r6h h LYS 128 N 10.58 -0.30 -0.02 3.17 1.57 -1.90 0.37 116.57 130.04 1r6h h LYS 128 Ca 0.14 0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.78 1r6h h LYS 128 Cb 0.89 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1r6h h LYS 128 CO 1.36 -0.20 -0.70 -0.92 -0.57 0.00 0.00 179.45 178.42 1r6h h TYR 129 N -0.34 0.18 -0.08 -1.35 3.20 -1.87 -2.25 116.97 114.45 1r6h h TYR 129 Ca -0.03 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.68 1r6h h TYR 129 Cb 0.24 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1r6h h TYR 129 CO 0.15 0.79 -0.24 0.93 -1.64 0.00 0.00 178.16 178.15 1r6h h GLU 130 N 0.09 0.31 -0.10 1.82 5.08 -1.93 -2.62 114.58 117.23 1r6h h GLU 130 Ca -0.02 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.08 1r6h h GLU 130 Cb 1.24 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 1r6h h GLU 130 CO 0.10 0.84 -0.12 0.22 -1.00 0.00 0.00 179.01 179.05 1r6h h ASP 131 N -0.17 0.28 -0.10 1.42 3.58 -0.31 -0.99 116.42 120.13 1r6h h ASP 131 Ca -0.01 -0.50 0.02 0.00 0.42 0.00 0.00 57.03 56.96 1r6h h ASP 131 Cb 0.85 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.80 1r6h h ASP 131 CO 0.05 0.73 -0.03 0.00 -2.88 0.00 0.00 179.24 177.11 1r6h h ALA 132 N 0.56 0.06 -0.25 -0.78 0.00 -1.52 0.54 119.26 117.87 1r6h h ALA 132 Ca 0.01 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1r6h h ALA 132 Cb 0.66 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1r6h h ALA 132 CO 0.03 -0.49 -0.51 0.82 0.00 0.00 0.00 179.25 179.10 1r6h h ILE 133 N -0.01 1.30 -0.00 0.00 1.08 -1.54 -1.28 117.51 117.06 1r6h h ILE 133 Ca 0.05 -1.71 -0.01 0.00 -0.39 0.00 0.00 64.86 62.80 1r6h h ILE 133 Cb 0.08 1.64 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 1r6h h ILE 133 CO -0.10 0.55 -0.03 1.56 -0.69 0.00 0.00 178.15 179.44 1r6h h GLN 134 N 0.55 0.02 -0.20 2.37 4.20 -0.98 -1.33 115.11 119.74 1r6h h GLN 134 Ca 0.02 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 1r6h h GLN 134 Cb 1.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 1r6h h GLN 134 CO 0.10 0.74 -0.47 0.74 -0.67 0.00 0.00 178.83 179.27 1r6h h PHE 135 N -0.68 0.62 -0.03 2.96 -1.00 -0.01 -2.51 116.94 116.29 1r6h h PHE 135 Ca -0.00 -0.19 -0.17 0.00 2.81 0.00 0.00 57.97 60.41 1r6h h PHE 135 Cb 0.74 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.16 1r6h h PHE 135 CO 0.18 0.88 -0.75 0.97 -1.61 0.00 0.00 178.31 177.97 1r6h h ILE 136 N 0.41 1.45 -0.42 -0.55 2.10 -1.33 -3.01 117.51 116.16 1r6h h ILE 136 Ca 0.02 -2.34 -0.05 0.00 1.08 0.00 0.00 64.86 63.58 1r6h h ILE 136 Cb 0.97 2.26 -0.02 0.00 -1.09 0.00 0.00 36.82 38.95 1r6h h ILE 136 CO 0.09 0.69 0.08 -0.09 -1.08 0.00 0.00 178.15 177.83 1r6h h ARG 137 N 0.14 0.68 -0.59 2.19 2.43 -1.10 -2.97 114.38 115.16 1r6h h ARG 137 Ca -0.03 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 58.98 1r6h h ARG 137 Cb 1.33 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.76 1r6h h ARG 137 CO 0.12 0.71 0.39 1.96 -1.51 0.00 0.00 179.97 181.63 1r6h h GLN 138 N 0.54 0.77 -6.72 0.20 4.20 -1.46 -3.43 115.11 109.22 1r6h h GLN 138 Ca 0.13 -0.05 -0.50 0.00 0.06 0.00 0.00 58.65 58.29 1r6h h GLN 138 Cb 0.35 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1r6h h GLN 138 CO 0.01 0.51 0.06 0.15 -0.67 0.00 0.00 178.83 178.88 1r6h s LYS 139 N -6.15 3.87 -0.19 1.46 3.01 -1.12 -5.02 119.74 115.60 1r6h s LYS 139 Ca -0.13 0.50 -0.29 0.00 -1.01 0.00 0.00 55.97 55.03 1r6h s LYS 139 Cb 0.13 -2.46 -0.02 0.00 -1.01 0.00 0.00 37.83 34.47 1r6h s LYS 139 CO 0.75 0.11 1.41 0.50 0.51 0.00 0.00 175.35 178.63 1r6h s ARG 140 N -3.32 4.06 0.32 1.68 3.00 -1.26 -4.82 118.95 118.61 1r6h s ARG 140 Ca 0.51 1.64 0.09 0.00 -1.00 0.00 0.00 55.73 56.98 1r6h s ARG 140 Cb -0.10 -3.88 -0.05 0.00 0.00 0.00 0.00 34.95 30.92 1r6h s ARG 140 CO 0.24 -0.95 0.05 -0.98 0.00 0.00 0.00 175.30 173.65 1r6h s ARG 141 N 3.99 2.20 0.00 5.12 3.03 -1.26 -4.30 118.95 127.74 1r6h s ARG 141 Ca 0.61 -1.62 0.00 0.00 2.03 0.00 0.00 55.73 56.75 1r6h s ARG 141 Cb -0.23 -2.05 0.00 0.00 -1.03 0.00 0.00 34.95 31.64 1r6h s ARG 141 CO 0.22 0.17 0.00 0.41 -1.13 0.00 0.00 175.30 174.97 1r6h n GLY 142 N -1.00 -2.97 3.53 3.88 0.00 -1.26 -4.79 105.19 102.58 1r6h n GLY 142 Ca -0.04 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 1r6h n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r6h s ALA 143 N -2.08 2.85 -0.47 4.61 0.00 -1.26 -4.89 121.76 120.51 1r6h s ALA 143 Ca 0.00 -1.58 -0.23 0.00 0.00 0.00 0.00 51.96 50.15 1r6h s ALA 143 Cb 0.00 -4.18 0.03 0.00 0.00 0.00 0.00 23.12 18.97 1r6h s ALA 143 CO 0.00 -3.19 0.79 0.42 0.00 0.00 0.00 175.76 173.78 1r6h s ILE 144 N 5.22 4.63 0.00 0.00 1.01 -1.26 -4.92 121.20 125.88 1r6h s ILE 144 Ca 0.33 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.29 1r6h s ILE 144 Cb -0.09 -4.35 0.00 0.00 0.01 0.00 0.00 42.46 38.02 1r6h s ILE 144 CO 0.11 -0.79 0.00 -3.20 0.00 0.00 0.00 174.94 171.06 1r6h n ASN 145 N 6.78 0.00 -0.07 3.58 2.85 -1.26 -4.99 115.26 122.15 1r6h n ASN 145 Ca 0.01 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.41 1r6h n ASN 145 Cb 0.48 -0.03 -0.02 0.00 1.24 0.00 0.00 39.78 41.44 1r6h n ASN 145 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1r6h n SER 146 N -1.41 1.65 -0.15 1.20 2.88 -1.26 -4.63 113.62 111.90 1r6h n SER 146 Ca 0.00 0.28 -0.04 0.00 -1.33 0.00 0.00 58.87 57.78 1r6h n SER 146 Cb 0.00 -0.68 0.02 0.00 -0.75 0.00 0.00 64.21 62.80 1r6h n SER 146 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1r6h h LYS 147 N -0.82 -0.09 -0.06 -1.46 3.11 -1.97 -0.54 116.57 114.74 1r6h h LYS 147 Ca 0.00 0.01 0.03 0.00 -2.81 0.00 0.00 60.65 57.87 1r6h h LYS 147 Cb 0.82 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 32.04 1r6h h LYS 147 CO 0.00 -0.06 -0.12 0.37 -2.81 0.00 0.00 179.45 176.83 1r6h h GLN 148 N -0.09 -0.16 -0.04 1.90 -0.00 -1.94 0.63 115.11 115.40 1r6h h GLN 148 Ca 0.23 0.01 -0.23 0.00 -0.00 0.00 0.00 58.65 58.66 1r6h h GLN 148 Cb 0.45 0.04 0.01 0.00 0.00 0.00 0.00 27.48 27.97 1r6h h GLN 148 CO -0.54 -0.11 -0.92 -0.07 0.00 0.00 0.00 178.83 177.19 1r6h h LEU 149 N -0.17 0.72 -0.13 -2.39 -0.00 -1.79 -2.23 115.31 109.32 1r6h h LEU 149 Ca 0.06 -0.54 -0.16 0.00 -0.00 0.00 0.00 57.88 57.24 1r6h h LEU 149 Cb 0.26 -0.22 0.01 0.00 -0.00 0.00 0.00 40.66 40.71 1r6h h LEU 149 CO -0.16 1.34 -0.54 0.74 -0.00 0.00 0.00 178.44 179.81 1r6h h THR 150 N 0.34 1.34 0.01 0.22 2.02 -1.02 -1.85 112.91 113.97 1r6h h THR 150 Ca -0.09 -1.82 -0.00 0.00 0.77 0.00 0.00 66.41 65.27 1r6h h THR 150 Cb 1.55 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 70.05 1r6h h THR 150 CO 0.17 0.56 -0.00 0.22 0.37 0.00 0.00 175.52 176.84 1r6h h TYR 151 N 0.24 -0.01 -0.60 3.16 3.20 0.18 -2.38 116.97 120.76 1r6h h TYR 151 Ca -0.03 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.78 1r6h h TYR 151 Cb 1.18 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.43 1r6h h TYR 151 CO 0.10 0.19 0.13 1.25 -1.64 0.00 0.00 178.16 178.19 1r6h h LEU 152 N -0.21 0.89 -0.70 2.82 6.46 -1.49 0.26 115.31 123.36 1r6h h LEU 152 Ca -0.00 -0.18 0.08 0.00 -0.12 0.00 0.00 57.88 57.66 1r6h h LEU 152 Cb 0.21 -0.23 -0.06 0.00 -0.73 0.00 0.00 40.66 39.84 1r6h h LEU 152 CO 0.00 0.88 0.36 -0.08 -0.62 0.00 0.00 178.44 178.98 1r6h h GLU 153 N 0.90 0.62 0.00 1.25 4.81 -1.21 0.26 114.58 121.22 1r6h h GLU 153 Ca 0.19 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1r6h h GLU 153 Cb 0.35 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1r6h h GLU 153 CO 0.00 0.41 -0.37 -0.22 -0.73 0.00 0.00 179.01 178.11 1r6h h LYS 154 N 0.64 0.00 0.00 1.92 3.11 -0.93 -2.96 116.57 118.36 1r6h h LYS 154 Ca 0.33 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 58.14 1r6h h LYS 154 Cb 0.29 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.52 1r6h h LYS 154 CO -0.23 0.37 -0.12 -0.92 -2.81 0.00 0.00 179.45 175.73 1r6h h TYR 155 N 0.00 0.00 -3.39 1.91 5.03 0.29 -3.41 116.97 117.40 1r6h h TYR 155 Ca -0.00 0.00 -0.63 0.00 2.58 0.00 0.00 58.73 60.67 1r6h h TYR 155 Cb 1.05 0.00 -0.20 0.00 1.55 0.00 0.00 36.73 39.13 1r6h h TYR 155 CO 0.00 0.12 -0.63 0.50 -1.32 0.00 0.00 178.16 176.83 1r6h s ARG 156 N -4.02 3.75 0.61 1.82 3.52 -0.36 -4.95 118.95 119.30 1r6h s ARG 156 Ca -0.02 -0.46 -0.17 0.00 -0.13 0.00 0.00 55.73 54.96 1r6h s ARG 156 Cb 0.12 -3.12 -0.03 0.00 -1.56 0.00 0.00 34.95 30.37 1r6h s ARG 156 CO 0.58 0.12 1.10 -1.25 -0.81 0.00 0.00 175.30 175.04 1r6h s PRO 157 N 0.74 3.11 -0.12 5.12 0.04 -1.26 -4.92 135.00 137.70 1r6h s PRO 157 Ca 0.01 1.40 -0.05 0.00 0.04 0.00 0.00 61.00 62.40 1r6h s PRO 157 Cb -0.14 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.47 1r6h s PRO 157 CO 0.02 -1.00 0.26 0.15 0.04 0.00 0.00 177.00 176.47 1r6h s LYS 158 N -3.84 0.17 0.50 4.56 1.02 -1.26 -5.02 119.74 115.87 1r6h s LYS 158 Ca 0.68 0.68 0.23 0.00 0.02 0.00 0.00 55.97 57.57 1r6h s LYS 158 Cb -0.20 -0.06 1.31 0.00 -0.52 0.00 0.00 37.83 38.36 1r6h s LYS 158 CO 0.36 -0.24 2.06 1.96 -0.92 0.00 0.00 175.35 178.56 1r6h h GLN 159 N 7.91 0.00 -0.14 1.68 4.20 -1.97 -2.18 115.11 124.60 1r6h h GLN 159 Ca -0.23 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.51 1r6h h GLN 159 Cb 1.13 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 1r6h h GLN 159 CO 0.22 0.14 0.10 0.00 -0.67 0.00 0.00 178.83 178.61 1r6h h ARG 160 N 0.00 0.05 0.00 1.46 3.08 -2.00 -1.24 114.38 115.73 1r6h h ARG 160 Ca -0.00 -0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 1r6h h ARG 160 Cb 0.30 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1r6h h ARG 160 CO 0.02 0.03 -1.28 1.25 -1.07 0.00 0.00 179.97 178.92 1r6h h LEU 161 N 0.05 0.00 -3.86 3.04 6.46 -1.83 -3.33 115.31 115.84 1r6h h LEU 161 Ca 0.06 0.00 -0.56 0.00 -0.12 0.00 0.00 57.88 57.27 1r6h h LEU 161 Cb 0.19 0.00 -0.24 0.00 -0.73 0.00 0.00 40.66 39.89 1r6h h LEU 161 CO -0.00 0.83 0.72 -1.14 -0.62 0.00 0.00 178.44 178.23 1r6h n ARG 162 N -3.12 2.38 -3.26 1.25 0.63 -0.49 -4.89 116.66 109.17 1r6h n ARG 162 Ca -0.08 -2.69 -0.45 0.00 -0.92 0.00 0.00 57.85 53.72 1r6h n ARG 162 Cb 0.93 -2.05 -0.06 0.00 0.45 0.00 0.00 32.46 31.73 1r6h n ARG 162 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 1r6h s PHE 163 N -3.11 3.16 -0.15 -0.14 5.36 -1.09 -4.97 117.98 117.04 1r6h s PHE 163 Ca 0.53 -0.98 -0.02 0.00 -0.96 0.00 0.00 56.93 55.50 1r6h s PHE 163 Cb 0.41 -3.61 -0.02 0.00 -0.34 0.00 0.00 43.02 39.47 1r6h s PHE 163 CO -0.02 -1.02 -0.09 0.21 -1.46 0.00 0.00 175.22 172.84 1r6h s LYS 164 N 2.03 3.47 0.04 10.12 2.20 -1.26 -5.11 119.74 131.23 1r6h s LYS 164 Ca 0.07 -0.63 -0.22 0.00 -0.36 0.00 0.00 55.97 54.84 1r6h s LYS 164 Cb -0.25 -2.78 -0.06 0.00 -1.51 0.00 0.00 37.83 33.23 1r6h s LYS 164 CO 0.06 0.15 0.64 -0.51 -0.36 0.00 0.00 175.35 175.33 1r6h s ASP 165 N 0.56 7.09 0.07 1.43 1.11 -1.26 -5.01 116.67 120.66 1r6h s ASP 165 Ca -0.06 1.29 -0.28 0.00 0.18 0.00 0.00 52.55 53.68 1r6h s ASP 165 Cb -0.15 -2.40 -0.13 0.00 1.07 0.00 0.00 42.92 41.31 1r6h s ASP 165 CO 0.03 0.14 1.44 -0.65 1.18 0.00 0.00 175.17 177.31 1r6h h PRO 166 N 5.25 -0.74 -5.86 8.23 0.11 -2.06 -3.39 132.00 133.55 1r6h h PRO 166 Ca -0.46 0.05 -0.61 0.00 0.11 0.00 0.00 66.00 65.09 1r6h h PRO 166 Cb 1.21 0.17 -0.11 0.00 0.11 0.00 0.00 31.00 32.38 1r6h h PRO 166 CO 0.68 -0.49 0.43 -1.58 -0.21 0.00 0.00 178.00 176.82 1r6h s HIS 167 N -5.25 3.10 0.36 0.65 2.46 -1.26 -5.00 115.29 110.34 1r6h s HIS 167 Ca -0.14 0.58 -0.04 0.00 0.47 0.00 0.00 55.06 55.94 1r6h s HIS 167 Cb 0.04 -3.48 0.01 0.00 -0.13 0.00 0.00 32.58 29.02 1r6h s HIS 167 CO 0.48 -0.77 0.53 0.95 -2.47 0.00 0.00 174.74 173.45 1r6h s THR 168 N 3.20 0.00 0.03 0.89 -4.23 -1.26 -5.18 115.64 109.09 1r6h s THR 168 Ca 0.33 -1.52 0.04 0.00 -1.18 0.00 0.00 61.69 59.36 1r6h s THR 168 Cb -0.13 -2.70 -0.02 0.00 1.34 0.00 0.00 72.50 70.99 1r6h s THR 168 CO 0.18 0.00 -0.11 -1.00 -0.54 0.00 0.00 174.62 173.14 1r6h s HIS 169 N -2.87 0.97 -0.01 3.99 3.76 -1.26 -5.15 115.29 114.72 1r6h s HIS 169 Ca 0.29 -0.35 0.03 0.00 -0.15 0.00 0.00 55.06 54.88 1r6h s HIS 169 Cb -0.01 -0.58 -0.01 0.00 1.11 0.00 0.00 32.58 33.09 1r6h s HIS 169 CO 0.20 -0.00 -0.10 0.15 -0.85 0.00 0.00 174.74 174.14 1r6h s LYS 170 N -1.10 0.89 0.08 1.40 1.02 -1.26 -5.02 119.74 115.75 1r6h s LYS 170 Ca -0.01 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.61 1r6h s LYS 170 Cb -0.07 -0.85 0.00 0.00 -0.52 0.00 0.00 37.83 36.38 1r6h s LYS 170 CO 0.01 0.20 0.00 2.41 -0.92 0.00 0.00 175.35 177.05 1r6h n THR 171 N 2.93 0.00 0.64 2.17 -1.04 -1.26 -5.38 114.28 112.34 1r6h n THR 171 Ca -0.15 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 61.94 1r6h n THR 171 Cb 0.56 -0.42 0.06 0.00 -1.82 0.00 0.00 70.33 68.71 1r6h n THR 171 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29