#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6h s SER 2 N 0.00 0.78 -0.04 1.61 1.04 -1.26 -5.15 113.70 110.68 1r6h s SER 2 Ca 0.00 -0.21 -0.00 0.00 0.48 0.00 0.00 55.95 56.22 1r6h s SER 2 Cb 0.00 -0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.09 1r6h s SER 2 CO 0.00 0.02 0.01 -1.00 0.98 0.00 0.00 173.24 173.25 1r6h s HIS 3 N -0.40 0.35 -0.20 5.02 4.02 -1.26 -5.13 115.29 117.68 1r6h s HIS 3 Ca -0.00 0.01 -0.06 0.00 1.02 0.00 0.00 55.06 56.02 1r6h s HIS 3 Cb -0.04 -0.49 -0.03 0.00 -1.02 0.00 0.00 32.58 30.99 1r6h s HIS 3 CO -0.00 -0.17 0.04 -1.64 1.02 0.00 0.00 174.74 173.98 1r6h s MET 4 N 1.36 3.75 -0.25 1.40 1.00 -1.26 -4.98 119.30 120.32 1r6h s MET 4 Ca -0.05 -0.45 0.03 0.00 0.00 0.00 0.00 55.69 55.21 1r6h s MET 4 Cb -0.13 -3.17 -0.17 0.00 0.00 0.00 0.00 34.83 31.36 1r6h s MET 4 CO -0.02 0.06 -0.20 0.00 0.00 0.00 0.00 175.02 174.85 1r6h n ALA 5 N 4.14 1.47 0.18 3.03 0.00 -1.26 -4.98 120.51 123.08 1r6h n ALA 5 Ca -0.17 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.20 1r6h n ALA 5 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1r6h n ALA 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1r6h n ARG 6 N -3.20 0.00 0.07 0.00 1.74 -1.26 -5.10 116.66 108.91 1r6h n ARG 6 Ca -0.43 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.65 1r6h n ARG 6 Cb 0.98 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.42 1r6h n ARG 6 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 1r6h n MET 7 N -3.39 0.00 -3.33 5.56 1.56 -1.26 -5.12 117.12 111.13 1r6h n MET 7 Ca 0.00 0.00 0.02 0.00 -0.27 0.00 0.00 57.70 57.45 1r6h n MET 7 Cb 0.00 0.00 -0.02 0.00 2.15 0.00 0.00 33.22 35.35 1r6h n MET 7 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 1r6h s ASN 8 N -1.53 -1.16 0.17 6.12 2.47 -1.26 -5.10 114.94 114.65 1r6h s ASN 8 Ca 0.00 1.04 -0.32 0.00 0.42 0.00 0.00 52.86 54.01 1r6h s ASN 8 Cb 0.00 2.10 -0.11 0.00 -1.45 0.00 0.00 41.25 41.79 1r6h s ASN 8 CO 0.00 -0.22 1.78 -0.13 -3.72 0.00 0.00 177.10 174.81 1r6h s ARG 9 N 2.85 4.13 -0.11 0.43 0.52 -1.26 -4.94 118.95 120.57 1r6h s ARG 9 Ca 0.08 2.62 -0.30 0.00 -0.52 0.00 0.00 55.73 57.61 1r6h s ARG 9 Cb -0.13 -3.32 -0.02 0.00 0.52 0.00 0.00 34.95 32.00 1r6h s ARG 9 CO -0.19 -0.80 1.19 -1.25 0.02 0.00 0.00 175.30 174.26 1r6h s PRO 10 N 1.91 4.32 0.38 3.54 0.04 -1.26 -5.03 135.00 138.90 1r6h s PRO 10 Ca 0.78 1.62 -0.11 0.00 0.04 0.00 0.00 61.00 63.33 1r6h s PRO 10 Cb -0.48 -3.62 -0.07 0.00 0.04 0.00 0.00 34.50 30.37 1r6h s PRO 10 CO 0.34 -0.52 0.75 0.00 0.04 0.00 0.00 177.00 177.60 1r6h s ALA 11 N 2.64 3.37 0.89 8.56 0.00 -1.26 -4.92 121.76 131.03 1r6h s ALA 11 Ca 0.54 -0.19 -0.12 0.00 0.00 0.00 0.00 51.96 52.19 1r6h s ALA 11 Cb -0.22 -2.68 0.12 0.00 0.00 0.00 0.00 23.12 20.34 1r6h s ALA 11 CO 0.18 0.07 1.09 -1.25 0.00 0.00 0.00 175.76 175.85 1r6h s PRO 12 N -3.67 1.32 -0.08 0.00 0.04 -1.26 -4.85 135.00 126.49 1r6h s PRO 12 Ca 0.51 0.79 -0.03 0.00 0.04 0.00 0.00 61.00 62.31 1r6h s PRO 12 Cb -0.10 -1.82 0.04 0.00 0.04 0.00 0.00 34.50 32.66 1r6h s PRO 12 CO 0.29 -2.19 0.17 0.08 0.04 0.00 0.00 177.00 175.38 1r6h s VAL 13 N -2.96 -0.12 -0.14 -0.36 1.01 -0.19 -4.95 120.40 112.69 1r6h s VAL 13 Ca 0.63 0.23 -0.04 0.00 0.00 0.00 0.00 61.98 62.80 1r6h s VAL 13 Cb -0.18 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 1r6h s VAL 13 CO 0.57 0.09 0.00 -1.83 0.00 0.00 0.00 175.10 173.93 1r6h s GLU 14 N 1.55 3.58 -0.21 2.72 1.03 -1.26 0.12 118.70 126.24 1r6h s GLU 14 Ca -0.05 -0.44 -0.06 0.00 0.03 0.00 0.00 54.97 54.45 1r6h s GLU 14 Cb -0.12 -2.97 -0.03 0.00 -0.80 0.00 0.00 34.13 30.21 1r6h s GLU 14 CO -0.06 0.38 0.03 0.08 -1.33 0.00 0.00 175.26 174.36 1r6h s VAL 15 N 0.03 4.24 -0.01 1.83 1.01 0.30 -4.89 120.40 122.91 1r6h s VAL 15 Ca 0.03 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.87 1r6h s VAL 15 Cb -0.13 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1r6h s VAL 15 CO 0.02 0.41 -0.23 -0.94 0.00 0.00 0.00 175.10 174.36 1r6h s SER 16 N 1.00 2.72 -0.22 3.32 1.04 -1.26 0.73 113.70 121.04 1r6h s SER 16 Ca 0.03 -0.44 -0.13 0.00 0.48 0.00 0.00 55.95 55.89 1r6h s SER 16 Cb -0.14 -0.29 0.07 0.00 0.10 0.00 0.00 66.02 65.75 1r6h s SER 16 CO 0.02 0.27 0.53 -0.47 0.98 0.00 0.00 173.24 174.58 1r6h s TYR 17 N -0.59 -0.79 0.00 5.02 5.04 -0.95 -5.03 117.35 120.05 1r6h s TYR 17 Ca 0.09 1.64 0.00 0.00 -2.44 0.00 0.00 57.07 56.36 1r6h s TYR 17 Cb -0.09 0.41 0.00 0.00 0.35 0.00 0.00 41.96 42.63 1r6h s TYR 17 CO -0.00 -0.41 0.00 1.63 -1.34 0.00 0.00 175.55 175.43 1r6h n LYS 18 N 4.13 0.00 -0.11 4.97 4.76 -1.26 -1.29 118.16 129.36 1r6h n LYS 18 Ca -0.21 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.25 1r6h n LYS 18 Cb 0.57 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.79 1r6h n LYS 18 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1r6h n HIS 19 N 0.00 0.00 -4.39 2.13 -0.00 -1.26 -5.08 115.22 106.62 1r6h n HIS 19 Ca 0.00 -0.37 -0.25 0.00 0.46 0.00 0.00 57.72 57.56 1r6h n HIS 19 Cb 0.00 -0.06 -0.09 0.00 -0.12 0.00 0.00 29.99 29.72 1r6h n HIS 19 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 1r6h s MET 20 N -0.92 2.01 0.19 1.57 -1.94 -0.41 -3.73 119.30 116.06 1r6h s MET 20 Ca 0.07 -1.79 0.03 0.00 -1.71 0.00 0.00 55.69 52.29 1r6h s MET 20 Cb 0.06 -1.87 -0.05 0.00 2.01 0.00 0.00 34.83 34.98 1r6h s MET 20 CO 0.01 0.15 -0.02 1.03 -0.01 0.00 0.00 175.02 176.17 1r6h s ARG 21 N -3.68 1.19 -0.01 2.03 0.52 -1.20 -2.25 118.95 115.55 1r6h s ARG 21 Ca 0.34 -1.57 -0.04 0.00 -0.52 0.00 0.00 55.73 53.93 1r6h s ARG 21 Cb 0.00 -0.48 -0.00 0.00 0.52 0.00 0.00 34.95 35.00 1r6h s ARG 21 CO 0.19 -0.08 0.08 -0.06 0.02 0.00 0.00 175.30 175.45 1r6h s PHE 22 N -3.50 0.04 -0.04 -0.53 0.08 0.22 -3.71 117.98 110.54 1r6h s PHE 22 Ca 0.24 -0.08 0.06 0.00 0.12 0.00 0.00 56.93 57.27 1r6h s PHE 22 Cb 0.05 -0.05 -0.01 0.00 -0.57 0.00 0.00 43.02 42.44 1r6h s PHE 22 CO 0.05 -0.18 -0.22 -0.51 -0.10 0.00 0.00 175.22 174.27 1r6h s LEU 23 N -0.86 2.01 -0.30 -0.37 2.01 0.20 -0.54 118.68 120.82 1r6h s LEU 23 Ca -0.10 -0.43 0.02 0.00 0.01 0.00 0.00 54.13 53.63 1r6h s LEU 23 Cb -0.06 -1.19 0.07 0.00 0.01 0.00 0.00 46.19 45.03 1r6h s LEU 23 CO 0.00 0.22 -0.02 -0.63 1.01 0.00 0.00 176.35 176.93 1r6h s ILE 24 N -0.17 2.44 0.21 -0.59 -1.09 0.33 0.23 121.20 122.56 1r6h s ILE 24 Ca -0.01 -1.83 0.03 0.00 -2.23 0.00 0.00 60.65 56.61 1r6h s ILE 24 Cb -0.12 -2.56 -0.05 0.00 -1.58 0.00 0.00 42.46 38.16 1r6h s ILE 24 CO 0.02 -0.26 -0.01 0.42 -1.23 0.00 0.00 174.94 173.88 1r6h s THR 25 N 1.07 0.93 0.44 2.92 -4.23 0.20 -1.02 115.64 115.96 1r6h s THR 25 Ca -0.01 -2.02 -0.17 0.00 -1.18 0.00 0.00 61.69 58.30 1r6h s THR 25 Cb -0.20 -2.24 -0.09 0.00 1.34 0.00 0.00 72.50 71.31 1r6h s THR 25 CO -0.05 -0.40 0.91 -1.38 -0.54 0.00 0.00 174.62 173.16 1r6h s HIS 26 N -3.49 3.39 0.74 3.99 -3.43 -1.26 0.23 115.29 115.45 1r6h s HIS 26 Ca 0.26 1.44 -0.15 0.00 -0.80 0.00 0.00 55.06 55.82 1r6h s HIS 26 Cb 0.05 -2.74 0.04 0.00 -1.43 0.00 0.00 32.58 28.51 1r6h s HIS 26 CO 0.07 -0.18 1.20 -0.80 -2.00 0.00 0.00 174.74 173.03 1r6h s ASN 27 N -2.62 4.18 0.23 7.38 -0.87 -1.26 -4.83 114.94 117.15 1r6h s ASN 27 Ca 0.59 2.32 -0.31 0.00 -1.57 0.00 0.00 52.86 53.88 1r6h s ASN 27 Cb -0.10 -2.58 -0.14 0.00 -0.02 0.00 0.00 41.25 38.41 1r6h s ASN 27 CO 0.22 -2.27 1.38 -2.65 -2.57 0.00 0.00 177.10 171.21 1r6h n PRO 28 N -2.79 1.94 -3.83 -0.60 -0.02 -1.26 -4.99 135.00 123.44 1r6h n PRO 28 Ca 0.13 0.69 -0.28 0.00 -2.02 0.00 0.00 63.50 62.02 1r6h n PRO 28 Cb 0.50 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1r6h n PRO 28 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1r6h s THR 29 N -0.07 5.29 -0.86 3.45 -4.23 -1.26 -4.95 115.64 113.01 1r6h s THR 29 Ca 0.69 -0.43 0.19 0.00 -1.18 0.00 0.00 61.69 60.96 1r6h s THR 29 Cb -0.67 -3.70 0.18 0.00 1.34 0.00 0.00 72.50 69.65 1r6h s THR 29 CO 0.50 -0.04 1.60 -3.20 -0.54 0.00 0.00 174.62 172.94 1r6h n ASN 30 N -0.29 0.21 -0.05 3.99 2.85 -1.26 -3.25 115.26 117.46 1r6h n ASN 30 Ca -0.05 0.55 -0.11 0.00 -0.11 0.00 0.00 54.58 54.85 1r6h n ASN 30 Cb 0.53 -0.59 -0.14 0.00 1.24 0.00 0.00 39.78 40.81 1r6h n ASN 30 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1r6h n ALA 31 N -1.58 1.43 -3.45 5.20 0.00 -1.26 -4.78 120.51 116.06 1r6h n ALA 31 Ca 0.04 -0.93 -0.29 0.00 0.00 0.00 0.00 53.44 52.26 1r6h n ALA 31 Cb 0.22 -0.60 -0.12 0.00 0.00 0.00 0.00 19.45 18.95 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 0.15 -0.14 0.00 -4.23 -1.20 -4.99 115.64 102.68 1r6h s THR 32 Ca -0.10 -1.81 -0.22 0.00 -1.18 0.00 0.00 61.69 58.39 1r6h s THR 32 Cb 0.07 -1.12 -0.19 0.00 1.34 0.00 0.00 72.50 72.60 1r6h s THR 32 CO 0.81 -1.02 0.54 -0.07 -0.54 0.00 0.00 174.62 174.34 1r6h h LEU 33 N 6.85 0.00 -0.42 4.79 -0.00 -1.87 -3.32 115.31 121.34 1r6h h LEU 33 Ca 0.09 -0.72 0.04 0.00 -0.00 0.00 0.00 57.88 57.29 1r6h h LEU 33 Cb 0.96 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.58 1r6h h LEU 33 CO 0.27 0.93 0.19 0.77 -0.00 0.00 0.00 178.44 180.60 1r6h h SER 34 N -1.00 0.25 -0.40 -0.43 4.64 -1.94 -2.00 113.55 112.67 1r6h h SER 34 Ca -0.03 0.03 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 1r6h h SER 34 Cb 0.80 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.86 1r6h h SER 34 CO -0.02 0.18 0.27 0.74 -0.87 0.00 0.00 176.83 177.13 1r6h h THR 35 N 0.38 0.94 -0.02 2.95 2.02 -1.98 -2.34 112.91 114.87 1r6h h THR 35 Ca 0.19 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.22 1r6h h THR 35 Cb 0.13 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1r6h h THR 35 CO -0.15 0.05 -0.19 0.15 0.37 0.00 0.00 175.52 175.75 1r6h h PHE 36 N 0.28 0.22 -0.95 3.16 3.04 -1.48 -2.72 116.94 118.49 1r6h h PHE 36 Ca 0.18 -0.11 0.10 0.00 3.98 0.00 0.00 57.97 62.11 1r6h h PHE 36 Cb 0.35 -0.03 -0.07 0.00 2.56 0.00 0.00 35.95 38.76 1r6h h PHE 36 CO -0.00 0.86 0.61 -0.84 -2.02 0.00 0.00 178.31 176.92 1r6h h ILE 37 N -0.49 0.98 0.16 1.41 3.07 -1.09 0.38 117.51 121.93 1r6h h ILE 37 Ca -0.02 -0.34 -0.01 0.00 1.55 0.00 0.00 64.86 66.05 1r6h h ILE 37 Cb 0.90 -0.09 0.00 0.00 -0.27 0.00 0.00 36.82 37.37 1r6h h ILE 37 CO 0.04 0.18 -0.07 -0.08 -1.05 0.00 0.00 178.15 177.16 1r6h h GLU 38 N 0.99 -0.20 0.00 0.16 4.81 -1.48 -0.92 114.58 117.94 1r6h h GLU 38 Ca 0.44 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.68 1r6h h GLU 38 Cb 0.37 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1r6h h GLU 38 CO -0.20 0.06 -0.00 -0.44 -0.73 0.00 0.00 179.01 177.70 1r6h h ASP 39 N -0.45 -0.01 -0.59 1.04 3.32 -1.10 0.86 116.42 119.50 1r6h h ASP 39 Ca -0.02 -0.44 0.07 0.00 0.02 0.00 0.00 57.03 56.65 1r6h h ASP 39 Cb 0.35 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.85 1r6h h ASP 39 CO 0.04 0.44 0.28 -0.07 -1.72 0.00 0.00 179.24 178.21 1r6h h LEU 40 N -0.45 0.37 -0.23 1.55 3.38 -0.35 -0.64 115.31 118.94 1r6h h LEU 40 Ca -0.00 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1r6h h LEU 40 Cb 0.45 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1r6h h LEU 40 CO 0.00 0.24 -0.61 0.50 0.09 0.00 0.00 178.44 178.66 1r6h h LYS 41 N 0.52 0.00 -0.78 1.13 3.11 -1.18 -3.28 116.57 116.09 1r6h h LYS 41 Ca 0.28 0.00 0.12 0.00 -2.81 0.00 0.00 60.65 58.24 1r6h h LYS 41 Cb 0.24 0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 31.38 1r6h h LYS 41 CO -0.22 0.61 0.39 0.87 -2.81 0.00 0.00 179.45 178.29 1r6h h LYS 42 N 0.00 0.59 -0.69 1.90 1.79 0.24 -0.83 116.57 119.56 1r6h h LYS 42 Ca -0.01 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.38 1r6h h LYS 42 Cb 1.37 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.85 1r6h h LYS 42 CO 0.08 0.39 0.25 -0.92 -1.08 0.00 0.00 179.45 178.17 1r6h h TYR 43 N 0.61 1.06 0.00 -1.35 5.03 -1.52 -3.48 116.97 117.31 1r6h h TYR 43 Ca 0.41 -0.08 0.00 0.00 2.58 0.00 0.00 58.73 61.63 1r6h h TYR 43 Cb 0.51 -0.32 0.00 0.00 1.55 0.00 0.00 36.73 38.47 1r6h h TYR 43 CO -0.11 0.82 0.00 0.41 -1.32 0.00 0.00 178.16 177.97 1r6h n GLY 44 N -0.90 -2.25 2.87 1.82 0.00 -0.32 -4.97 105.19 101.44 1r6h n GLY 44 Ca 0.06 -1.22 -0.27 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.84 1.28 0.01 4.61 0.00 -1.25 -4.43 121.76 120.14 1r6h s ALA 45 Ca 0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.34 1r6h s ALA 45 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.13 1r6h s ALA 45 CO 0.00 -0.62 0.04 2.41 0.00 0.00 0.00 175.76 177.59 1r6h n THR 46 N 4.95 0.00 -0.99 0.00 -1.04 0.21 -4.13 114.28 113.28 1r6h n THR 46 Ca -0.11 -0.03 -0.31 0.00 -2.04 0.00 0.00 64.05 61.56 1r6h n THR 46 Cb 0.49 0.04 0.13 0.00 -1.82 0.00 0.00 70.33 69.16 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 2.69 -0.01 12.58 -1.32 -1.25 -4.17 115.64 121.44 1r6h s THR 47 Ca 0.01 0.23 0.01 0.00 -1.21 0.00 0.00 61.69 60.73 1r6h s THR 47 Cb -0.00 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.50 1r6h s THR 47 CO 0.00 -0.29 -0.04 -0.69 -2.21 0.00 0.00 174.62 171.39 1r6h s VAL 48 N -2.76 0.37 -0.34 5.08 1.01 -0.55 -2.52 120.40 120.69 1r6h s VAL 48 Ca 0.64 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 1r6h s VAL 48 Cb -0.20 -0.34 0.08 0.00 0.00 0.00 0.00 36.38 35.92 1r6h s VAL 48 CO 0.57 0.12 0.07 0.54 0.00 0.00 0.00 175.10 176.40 1r6h s VAL 49 N 0.08 2.90 -0.29 2.92 0.11 -0.10 0.33 120.40 126.34 1r6h s VAL 49 Ca -0.00 -1.82 -0.01 0.00 -2.93 0.00 0.00 61.98 57.21 1r6h s VAL 49 Cb -0.04 -2.87 0.05 0.00 -1.53 0.00 0.00 36.38 31.99 1r6h s VAL 49 CO -0.00 -0.40 -0.02 0.00 -3.33 0.00 0.00 175.10 171.35 1r6h s ARG 50 N 1.14 2.48 -0.68 1.54 1.70 -1.13 -2.48 118.95 121.52 1r6h s ARG 50 Ca 0.02 -1.22 -0.08 0.00 -0.47 0.00 0.00 55.73 53.97 1r6h s ARG 50 Cb -0.21 -3.13 0.18 0.00 -0.57 0.00 0.00 34.95 31.22 1r6h s ARG 50 CO -0.04 -0.58 0.56 0.08 -1.08 0.00 0.00 175.30 174.24 1r6h s VAL 51 N 1.25 4.55 0.29 4.99 1.01 -1.25 -1.63 120.40 129.60 1r6h s VAL 51 Ca -0.05 -2.58 -0.17 0.00 0.00 0.00 0.00 61.98 59.18 1r6h s VAL 51 Cb -0.19 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.31 1r6h s VAL 51 CO -0.02 -0.92 0.65 0.00 0.00 0.00 0.00 175.10 174.81 1r6h s GLU 53 N -3.71 4.23 -0.05 0.00 0.41 -1.26 -3.99 118.70 114.32 1r6h s GLU 53 Ca 0.15 2.34 -0.30 0.00 -0.41 0.00 0.00 54.97 56.75 1r6h s GLU 53 Cb -0.04 -3.16 -0.05 0.00 -1.78 0.00 0.00 34.13 29.10 1r6h s GLU 53 CO 0.09 -0.58 1.50 0.08 -0.49 0.00 0.00 175.26 175.85 1r6h s VAL 54 N 1.03 3.73 0.00 2.63 1.01 -1.26 -4.85 120.40 122.69 1r6h s VAL 54 Ca 0.69 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.65 1r6h s VAL 54 Cb -0.43 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1r6h s VAL 54 CO 0.32 -0.06 0.00 0.41 0.00 0.00 0.00 175.10 175.78 1r6h n THR 55 N 5.17 0.00 -3.66 3.92 -1.04 -1.26 -4.95 114.28 112.46 1r6h n THR 55 Ca 0.15 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.88 1r6h n THR 55 Cb 0.43 -1.21 -0.12 0.00 -1.82 0.00 0.00 70.33 67.61 1r6h n THR 55 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1r6h s TYR 56 N -1.99 2.11 0.09 -1.42 2.02 -1.26 -4.96 117.35 111.94 1r6h s TYR 56 Ca 0.00 -2.61 -0.06 0.00 -0.37 0.00 0.00 57.07 54.03 1r6h s TYR 56 Cb 0.00 -1.80 -0.22 0.00 -0.40 0.00 0.00 41.96 39.54 1r6h s TYR 56 CO 0.00 -0.73 1.19 0.22 -1.57 0.00 0.00 175.55 174.65 1r6h h ASP 57 N 6.09 0.54 0.03 2.29 1.82 -1.99 -3.36 116.42 121.83 1r6h h ASP 57 Ca 0.11 -0.51 -0.05 0.00 -0.39 0.00 0.00 57.03 56.19 1r6h h ASP 57 Cb 0.88 -0.17 0.01 0.00 0.68 0.00 0.00 39.33 40.72 1r6h h ASP 57 CO 0.51 1.36 -0.20 0.11 -1.61 0.00 0.00 179.24 179.40 1r6h h LYS 58 N 0.15 0.09 -0.74 0.28 1.57 -2.01 -3.35 116.57 112.56 1r6h h LYS 58 Ca -0.13 -0.13 0.15 0.00 -1.87 0.00 0.00 60.65 58.67 1r6h h LYS 58 Cb 1.84 0.05 -0.14 0.00 0.08 0.00 0.00 32.23 34.06 1r6h h LYS 58 CO 0.20 1.02 -0.19 1.15 -0.57 0.00 0.00 179.45 181.06 1r6h h THR 59 N -0.78 0.26 -0.89 -0.16 2.02 -1.98 -1.20 112.91 110.18 1r6h h THR 59 Ca -0.03 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1r6h h THR 59 Cb 1.11 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 1r6h h THR 59 CO 0.04 0.00 0.53 -0.65 0.37 0.00 0.00 175.52 175.81 1r6h h PRO 60 N 0.00 1.21 -0.15 6.66 0.11 -1.73 0.32 132.00 138.42 1r6h h PRO 60 Ca 0.36 -0.11 -0.09 0.00 0.11 0.00 0.00 66.00 66.26 1r6h h PRO 60 Cb 0.54 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1r6h h PRO 60 CO -0.77 0.85 -0.26 1.25 -0.21 0.00 0.00 178.00 178.86 1r6h h LEU 61 N 1.22 0.49 -0.00 2.35 7.12 -1.41 -1.63 115.31 123.45 1r6h h LEU 61 Ca 0.32 -0.54 -0.02 0.00 0.13 0.00 0.00 57.88 57.76 1r6h h LEU 61 Cb -0.04 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 39.95 1r6h h LEU 61 CO -0.06 0.94 -0.09 -0.08 -0.13 0.00 0.00 178.44 179.03 1r6h h GLU 62 N 0.06 0.06 0.00 1.25 4.57 -1.22 -1.59 114.58 117.72 1r6h h GLU 62 Ca 0.01 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 58.03 1r6h h GLU 62 Cb 0.85 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 1r6h h GLU 62 CO 0.06 0.81 -0.46 0.87 -1.18 0.00 0.00 179.01 179.11 1r6h h LYS 63 N -0.66 0.00 0.00 1.92 1.57 -1.07 -3.25 116.57 115.08 1r6h h LYS 63 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1r6h h LYS 63 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1r6h h LYS 63 CO 0.02 0.46 -1.11 -3.47 -0.57 0.00 0.00 179.45 174.78 1r6h n ASP 64 N -3.37 0.83 -2.07 0.86 -0.08 -0.61 -4.86 116.55 107.24 1r6h n ASP 64 Ca 0.01 -0.81 -0.07 0.00 -1.51 0.00 0.00 54.79 52.41 1r6h n ASP 64 Cb 0.63 1.09 -0.01 0.00 2.34 0.00 0.00 41.12 45.17 1r6h n ASP 64 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1r6h n GLY 65 N 1.46 -0.14 3.32 0.27 0.00 -0.60 -4.91 105.19 104.60 1r6h n GLY 65 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1r6h n GLY 65 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1r6h s ILE 66 N -2.10 1.95 0.14 -0.61 -4.36 -1.25 -5.04 121.20 109.93 1r6h s ILE 66 Ca 0.00 -1.52 -0.30 0.00 -0.26 0.00 0.00 60.65 58.57 1r6h s ILE 66 Cb 0.00 -1.72 -0.07 0.00 1.25 0.00 0.00 42.46 41.92 1r6h s ILE 66 CO 0.00 0.11 1.03 0.28 0.24 0.00 0.00 174.94 176.60 1r6h s THR 67 N -1.00 4.19 0.03 8.37 -1.32 -1.26 -4.63 115.64 120.03 1r6h s THR 67 Ca 0.10 1.85 -0.03 0.00 -1.21 0.00 0.00 61.69 62.40 1r6h s THR 67 Cb -0.10 -4.18 -0.02 0.00 -1.51 0.00 0.00 72.50 66.69 1r6h s THR 67 CO 0.04 0.30 0.02 0.54 -2.21 0.00 0.00 174.62 173.31 1r6h s VAL 68 N -0.10 0.15 -0.17 5.08 0.11 -1.26 -1.49 120.40 122.72 1r6h s VAL 68 Ca 0.48 -1.21 -0.07 0.00 -2.93 0.00 0.00 61.98 58.26 1r6h s VAL 68 Cb -0.26 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 1r6h s VAL 68 CO 0.32 -0.67 0.06 -0.69 -3.33 0.00 0.00 175.10 170.80 1r6h s VAL 69 N -2.54 4.80 -0.44 2.04 1.01 0.15 -4.88 120.40 120.54 1r6h s VAL 69 Ca -0.06 -0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 1r6h s VAL 69 Cb -0.02 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.27 1r6h s VAL 69 CO -0.05 0.48 0.35 -1.81 0.00 0.00 0.00 175.10 174.07 1r6h s ASP 70 N 0.19 6.07 -0.38 3.32 1.11 -1.26 -2.84 116.67 122.88 1r6h s ASP 70 Ca 0.04 -1.20 -0.05 0.00 0.18 0.00 0.00 52.55 51.52 1r6h s ASP 70 Cb -0.12 -2.15 0.08 0.00 1.07 0.00 0.00 42.92 41.80 1r6h s ASP 70 CO 0.00 -0.57 0.17 0.26 1.18 0.00 0.00 175.17 176.21 1r6h s TRP 71 N 1.63 3.41 0.14 4.23 0.52 -0.65 -5.05 118.94 123.18 1r6h s TRP 71 Ca 0.04 -1.95 0.03 0.00 0.02 0.00 0.00 56.10 54.25 1r6h s TRP 71 Cb -0.22 -2.82 -0.04 0.00 -1.15 0.00 0.00 33.47 29.24 1r6h s TRP 71 CO 0.07 -0.88 0.18 -1.25 0.02 0.00 0.00 176.95 175.10 1r6h s PRO 72 N 1.27 3.13 -0.15 4.98 0.04 -1.26 -0.22 135.00 142.79 1r6h s PRO 72 Ca 0.03 -0.71 0.01 0.00 0.04 0.00 0.00 61.00 60.37 1r6h s PRO 72 Cb -0.22 -2.80 0.02 0.00 0.04 0.00 0.00 34.50 31.54 1r6h s PRO 72 CO -0.01 0.52 -0.18 0.12 0.04 0.00 0.00 177.00 177.50 1r6h s PHE 73 N -1.67 2.44 -1.13 0.56 2.19 -1.26 -4.50 117.98 114.60 1r6h s PHE 73 Ca 0.32 -1.35 0.00 0.00 0.33 0.00 0.00 56.93 56.23 1r6h s PHE 73 Cb -0.11 -1.72 0.00 0.00 -1.31 0.00 0.00 43.02 39.88 1r6h s PHE 73 CO 0.25 -0.69 0.00 -3.47 1.83 0.00 0.00 175.22 173.15 1r6h n ASP 74 N 4.54 0.00 0.18 6.13 -0.08 -1.26 -4.89 116.55 121.17 1r6h n ASP 74 Ca -0.19 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.22 1r6h n ASP 74 Cb 0.50 0.00 0.64 0.00 2.34 0.00 0.00 41.12 44.60 1r6h n ASP 74 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1r6h h ASP 75 N 0.00 0.00 -0.01 1.67 3.32 -2.05 -1.72 116.42 117.63 1r6h h ASP 75 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1r6h h ASP 75 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1r6h h ASP 75 CO 0.00 0.00 -0.38 0.61 -1.72 0.00 0.00 179.24 177.75 1r6h n GLY 76 N -0.76 -0.02 3.58 2.75 0.00 -1.26 -4.91 105.19 104.58 1r6h n GLY 76 Ca -0.00 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.09 3.35 -0.41 4.61 0.00 -0.65 -4.98 121.76 121.58 1r6h s ALA 77 Ca 0.15 -0.68 -0.30 0.00 0.00 0.00 0.00 51.96 51.13 1r6h s ALA 77 Cb 0.15 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.67 1r6h s ALA 77 CO 0.46 -1.74 2.32 -2.30 0.00 0.00 0.00 175.76 174.50 1r6h n PRO 78 N 6.77 1.23 -0.34 0.00 -0.02 -1.26 -4.69 135.00 136.69 1r6h n PRO 78 Ca 0.05 0.24 0.02 0.00 -2.02 0.00 0.00 63.50 61.80 1r6h n PRO 78 Cb 0.48 -2.90 0.19 0.00 -0.02 0.00 0.00 33.50 31.25 1r6h n PRO 78 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1r6h h PRO 79 N 15.35 1.11 -6.44 0.52 0.11 -1.93 -3.44 132.00 137.28 1r6h h PRO 79 Ca -0.28 -0.07 -0.57 0.00 0.11 0.00 0.00 66.00 65.20 1r6h h PRO 79 Cb 1.28 -0.25 0.19 0.00 0.11 0.00 0.00 31.00 32.33 1r6h h PRO 79 CO 1.08 0.73 -0.75 -0.35 -0.21 0.00 0.00 178.00 178.50 1r6h n PRO 80 N -4.48 0.18 0.31 1.05 -0.04 -1.26 -4.85 135.00 125.90 1r6h n PRO 80 Ca 0.14 0.09 0.19 0.00 -0.04 0.00 0.00 63.50 63.88 1r6h n PRO 80 Cb 0.16 -1.56 0.95 0.00 -0.04 0.00 0.00 33.50 33.01 1r6h n PRO 80 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1r6h h GLY 81 N -0.43 0.00 0.29 0.55 0.00 -2.01 -3.00 103.07 98.47 1r6h h GLY 81 Ca -0.44 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.13 1r6h h GLY 81 CO 0.39 0.00 0.62 1.70 0.00 0.00 0.00 176.54 179.25 1r6h h LYS 82 N 0.00 0.00 -0.18 4.80 3.64 -1.92 0.27 116.57 123.17 1r6h h LYS 82 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1r6h h LYS 82 Cb 0.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1r6h h LYS 82 CO 0.00 0.00 0.12 0.28 -2.27 0.00 0.00 179.45 177.58 1r6h h VAL 83 N 0.00 1.04 -0.96 2.00 2.07 -1.81 -0.38 116.25 118.22 1r6h h VAL 83 Ca 0.40 -0.08 0.15 0.00 0.82 0.00 0.00 66.70 67.99 1r6h h VAL 83 Cb 1.63 0.78 -0.08 0.00 -1.52 0.00 0.00 31.29 32.10 1r6h h VAL 83 CO -0.00 0.04 0.61 0.58 0.02 0.00 0.00 177.57 178.82 1r6h h VAL 84 N 0.24 0.83 -0.07 2.57 2.07 -0.70 0.59 116.25 121.77 1r6h h VAL 84 Ca 0.07 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 1r6h h VAL 84 Cb -0.02 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.69 1r6h h VAL 84 CO -0.02 0.15 -0.29 -0.33 0.02 0.00 0.00 177.57 177.10 1r6h h GLU 85 N 0.80 0.13 0.05 1.57 5.08 -0.89 -2.06 114.58 119.26 1r6h h GLU 85 Ca 0.50 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1r6h h GLU 85 Cb 0.70 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1r6h h GLU 85 CO -0.26 0.41 -0.03 -0.44 -1.00 0.00 0.00 179.01 177.69 1r6h h ASP 86 N 0.12 -0.06 0.13 1.42 3.32 0.18 -2.21 116.42 119.32 1r6h h ASP 86 Ca 0.02 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.82 1r6h h ASP 86 Cb 0.57 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1r6h h ASP 86 CO 0.04 0.12 -0.31 -0.25 -1.72 0.00 0.00 179.24 177.12 1r6h h TRP 87 N -0.24 0.31 -0.36 4.55 2.91 -1.39 -2.62 115.95 119.10 1r6h h TRP 87 Ca -0.01 -0.07 0.05 0.00 1.13 0.00 0.00 58.89 60.00 1r6h h TRP 87 Cb 0.21 -0.08 -0.05 0.00 -0.51 0.00 0.00 29.16 28.74 1r6h h TRP 87 CO -0.02 0.56 0.09 -0.07 -1.03 0.00 0.00 178.44 177.97 1r6h h LEU 88 N 0.24 0.04 -0.60 0.65 3.38 -1.12 0.17 115.31 118.08 1r6h h LEU 88 Ca 0.03 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1r6h h LEU 88 Cb 0.67 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1r6h h LEU 88 CO 0.05 0.06 0.11 -1.28 0.09 0.00 0.00 178.44 177.47 1r6h h SER 89 N 0.22 0.94 0.03 -0.43 0.87 -1.22 0.50 113.55 114.45 1r6h h SER 89 Ca 0.17 -0.26 0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1r6h h SER 89 Cb 0.18 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 1r6h h SER 89 CO -0.21 0.95 -0.10 0.25 -0.53 0.00 0.00 176.83 177.19 1r6h h LEU 90 N 0.88 -0.29 -0.26 2.23 7.12 -1.00 -1.68 115.31 122.30 1r6h h LEU 90 Ca 0.18 0.04 -0.21 0.00 0.13 0.00 0.00 57.88 58.02 1r6h h LEU 90 Cb 0.41 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.66 1r6h h LEU 90 CO 0.01 -0.15 -0.85 1.62 -0.13 0.00 0.00 178.44 178.94 1r6h h VAL 91 N -0.19 1.38 -0.94 1.05 3.04 -0.92 -2.68 116.25 117.00 1r6h h VAL 91 Ca 0.03 -2.29 0.11 0.00 -1.01 0.00 0.00 66.70 63.54 1r6h h VAL 91 Cb 0.23 2.26 -0.08 0.00 -2.01 0.00 0.00 31.29 31.69 1r6h h VAL 91 CO -0.09 0.69 0.57 0.11 -1.01 0.00 0.00 177.57 177.84 1r6h h LYS 92 N 0.27 0.90 -0.03 4.17 1.57 0.21 0.42 116.57 124.09 1r6h h LYS 92 Ca -0.06 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1r6h h LYS 92 Cb 1.46 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1r6h h LYS 92 CO 0.15 0.60 -0.28 0.00 -0.57 0.00 0.00 179.45 179.34 1r6h h ALA 93 N 1.50 0.08 -0.65 3.86 0.00 -1.31 0.15 119.26 122.88 1r6h h ALA 93 Ca 0.45 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1r6h h ALA 93 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1r6h h ALA 93 CO -0.25 0.13 0.29 -0.22 0.00 0.00 0.00 179.25 179.20 1r6h h LYS 94 N -0.32 0.94 0.08 0.00 1.63 -1.08 0.18 116.57 118.00 1r6h h LYS 94 Ca -0.03 -0.14 -0.27 0.00 -0.85 0.00 0.00 60.65 59.37 1r6h h LYS 94 Cb 0.97 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.42 1r6h h LYS 94 CO 0.06 0.74 -1.30 0.74 -3.45 0.00 0.00 179.45 176.24 1r6h h PHE 95 N 0.93 0.31 -0.10 1.91 -1.00 -0.23 -1.83 116.94 116.93 1r6h h PHE 95 Ca 0.22 -0.23 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 1r6h h PHE 95 Cb 0.13 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.68 1r6h h PHE 95 CO 0.01 1.21 -0.25 0.00 -1.61 0.00 0.00 178.31 177.68 1r6h h GLU 97 N -0.11 0.11 -3.36 0.00 4.81 -0.78 -3.39 114.58 111.86 1r6h h GLU 97 Ca -0.00 -0.12 -0.66 0.00 -0.13 0.00 0.00 59.36 58.46 1r6h h GLU 97 Cb 0.86 0.03 -0.39 0.00 0.63 0.00 0.00 28.75 29.88 1r6h h GLU 97 CO 0.05 0.88 -0.51 0.00 -0.73 0.00 0.00 179.01 178.71 1r6h s ALA 98 N -3.19 3.56 0.26 2.92 0.00 -0.69 -5.08 121.76 119.56 1r6h s ALA 98 Ca -0.02 -3.44 -0.30 0.00 0.00 0.00 0.00 51.96 48.20 1r6h s ALA 98 Cb 0.11 -2.34 -0.10 0.00 0.00 0.00 0.00 23.12 20.78 1r6h s ALA 98 CO 0.81 -2.07 1.38 -2.14 0.00 0.00 0.00 175.76 173.74 1r6h s PRO 99 N -0.58 4.31 -1.10 0.00 0.02 -1.23 -3.62 135.00 132.81 1r6h s PRO 99 Ca 0.20 2.24 -0.07 0.00 0.02 0.00 0.00 61.00 63.38 1r6h s PRO 99 Cb -0.19 -3.11 -0.05 0.00 0.02 0.00 0.00 34.50 31.17 1r6h s PRO 99 CO -0.05 -0.33 0.90 0.41 -0.33 0.00 0.00 177.00 177.60 1r6h n GLY 100 N 1.82 -1.00 0.00 0.52 0.00 -1.24 -5.03 105.19 100.26 1r6h n GLY 100 Ca 0.05 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1r6h n GLY 100 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r6h n SER 101 N -3.12 0.12 -4.01 1.61 3.41 -1.24 -4.89 113.62 105.50 1r6h n SER 101 Ca -0.11 -1.00 -0.31 0.00 -0.26 0.00 0.00 58.87 57.19 1r6h n SER 101 Cb 0.62 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.42 1r6h n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r6h s VAL 103 N 1.34 3.53 0.06 0.00 1.01 -1.24 0.63 120.40 125.72 1r6h s VAL 103 Ca -0.03 -1.30 0.09 0.00 0.00 0.00 0.00 61.98 60.75 1r6h s VAL 103 Cb -0.17 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1r6h s VAL 103 CO -0.08 0.04 -0.24 0.00 0.00 0.00 0.00 175.10 174.82 1r6h s ALA 104 N -1.39 2.37 0.16 5.51 0.00 -1.05 0.60 121.76 127.96 1r6h s ALA 104 Ca 0.24 -1.28 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 1r6h s ALA 104 Cb -0.11 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 1r6h s ALA 104 CO 0.16 0.55 0.10 0.08 0.00 0.00 0.00 175.76 176.64 1r6h s VAL 105 N -0.87 0.06 0.71 0.00 1.01 0.62 -0.93 120.40 120.99 1r6h s VAL 105 Ca 0.13 -1.93 -0.14 0.00 0.00 0.00 0.00 61.98 60.04 1r6h s VAL 105 Cb -0.10 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.07 1r6h s VAL 105 CO 0.03 -0.26 1.14 -2.28 0.00 0.00 0.00 175.10 173.73 1r6h s HIS 106 N -4.09 2.37 -0.03 5.22 5.65 -1.03 0.63 115.29 124.00 1r6h s HIS 106 Ca 0.30 1.58 -0.30 0.00 0.25 0.00 0.00 55.06 56.90 1r6h s HIS 106 Cb 0.07 -3.26 -0.05 0.00 -1.18 0.00 0.00 32.58 28.15 1r6h s HIS 106 CO 0.06 -2.06 1.51 0.00 -0.65 0.00 0.00 174.74 173.60 1r6h n VAL 108 N 5.08 0.01 0.05 0.00 0.24 -1.26 -3.82 118.33 118.63 1r6h n VAL 108 Ca 0.15 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.46 1r6h n VAL 108 Cb 0.43 -0.61 0.03 0.00 -1.47 0.00 0.00 33.84 32.22 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 -1.01 1.12 -3.00 2.33 0.00 -1.26 -4.63 120.51 114.06 1r6h n ALA 109 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1r6h n ALA 109 Cb 0.09 -1.02 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 -1.30 5.17 3.69 0.00 0.00 -1.25 -5.08 105.19 106.43 1r6h n GLY 110 Ca 0.00 -1.29 -0.38 0.00 0.00 0.00 0.00 46.02 44.35 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 4.21 0.00 0.99 1.43 -1.26 -4.52 118.68 119.52 1r6h s LEU 111 Ca 0.00 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 1r6h s LEU 111 Cb 0.00 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.60 1r6h s LEU 111 CO 0.00 -0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.13 1r6h n GLY 112 N 3.61 2.99 0.00 -3.19 0.00 -1.26 -4.89 105.19 102.45 1r6h n GLY 112 Ca -0.07 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 2.00 -0.27 1.61 3.00 -1.26 -3.12 116.66 118.62 1r6h n ARG 113 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.85 57.87 1r6h n ARG 113 Cb 0.00 -0.94 0.16 0.00 0.00 0.00 0.00 32.46 31.68 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 1.11 -0.48 7.54 0.00 -1.86 -2.51 119.26 123.07 1r6h h ALA 114 Ca 0.00 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1r6h h ALA 114 Cb 0.41 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 1r6h h ALA 114 CO 0.00 0.01 0.02 -1.35 0.00 0.00 0.00 179.25 177.93 1r6h h PRO 115 N 0.69 0.13 -0.11 0.00 0.11 -1.86 0.77 132.00 131.74 1r6h h PRO 115 Ca 0.39 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.52 1r6h h PRO 115 Cb 0.41 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.46 1r6h h PRO 115 CO -0.27 0.09 -0.10 0.28 -0.21 0.00 0.00 178.00 177.78 1r6h h VAL 116 N 0.14 0.71 -0.69 3.15 2.07 -1.79 -1.92 116.25 117.92 1r6h h VAL 116 Ca 0.24 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.89 1r6h h VAL 116 Cb 0.36 0.71 -0.09 0.00 -1.52 0.00 0.00 31.29 30.75 1r6h h VAL 116 CO -0.39 0.00 0.24 -0.07 0.02 0.00 0.00 177.57 177.37 1r6h h LEU 117 N -0.12 0.19 -0.22 2.57 3.38 -0.96 -1.85 115.31 118.29 1r6h h LEU 117 Ca 0.08 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.21 1r6h h LEU 117 Cb 0.23 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1r6h h LEU 117 CO -0.18 0.08 -0.24 0.58 0.09 0.00 0.00 178.44 178.77 1r6h h VAL 118 N 0.39 0.40 -0.78 1.22 2.07 -0.11 -0.61 116.25 118.83 1r6h h VAL 118 Ca 0.37 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.00 1r6h h VAL 118 Cb 0.53 0.40 -0.08 0.00 -1.52 0.00 0.00 31.29 30.62 1r6h h VAL 118 CO -0.39 0.00 0.40 0.00 0.02 0.00 0.00 177.57 177.60 1r6h h ALA 119 N 0.77 1.13 -0.21 1.67 0.00 -1.00 0.20 119.26 121.81 1r6h h ALA 119 Ca 0.13 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1r6h h ALA 119 Cb 0.45 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1r6h h ALA 119 CO -0.37 -0.06 0.14 -0.07 0.00 0.00 0.00 179.25 178.90 1r6h h LEU 120 N 0.62 0.09 -0.28 0.00 3.38 -0.60 -0.61 115.31 117.91 1r6h h LEU 120 Ca 0.41 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.19 1r6h h LEU 120 Cb 0.50 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1r6h h LEU 120 CO -0.31 0.06 -0.53 0.00 0.09 0.00 0.00 178.44 177.75 1r6h h ALA 121 N 1.89 0.45 0.00 1.53 0.00 0.46 -2.77 119.26 120.81 1r6h h ALA 121 Ca 0.09 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1r6h h ALA 121 Cb 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1r6h h ALA 121 CO -0.01 0.65 0.00 1.25 0.00 0.00 0.00 179.25 181.14 1r6h h LEU 122 N 0.64 0.00 -1.93 0.00 5.85 -0.56 -3.06 115.31 116.25 1r6h h LEU 122 Ca 0.01 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1r6h h LEU 122 Cb 1.13 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1r6h h LEU 122 CO 0.12 0.00 0.23 0.40 -0.34 0.00 0.00 178.44 178.84 1r6h h ILE 123 N 0.00 0.88 0.00 4.05 2.04 -0.87 0.72 117.51 124.34 1r6h h ILE 123 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1r6h h ILE 123 Cb 0.48 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1r6h h ILE 123 CO 0.00 0.02 0.00 1.05 0.00 0.00 0.00 178.15 179.22 1r6h h GLU 124 N 0.08 0.00 0.00 2.37 9.09 -1.68 -3.08 114.58 121.36 1r6h h GLU 124 Ca 0.15 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.49 1r6h h GLU 124 Cb 0.49 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.58 1r6h h GLU 124 CO -0.01 0.00 -0.33 0.77 0.05 0.00 0.00 179.01 179.49 1r6h h SER 125 N 0.00 0.00 0.00 3.06 0.02 -1.06 -3.50 113.55 112.07 1r6h h SER 125 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1r6h h SER 125 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1r6h h SER 125 CO 0.00 0.33 0.00 0.61 -1.14 0.00 0.00 176.83 176.63 1r6h n GLY 126 N 1.15 -0.21 3.39 -3.77 0.00 -1.16 -5.00 105.19 99.59 1r6h n GLY 126 Ca 0.03 0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 0.58 0.09 1.61 -0.00 -1.26 -4.68 117.12 113.46 1r6h n MET 127 Ca 0.00 -1.44 -0.04 0.00 -0.00 0.00 0.00 57.70 56.22 1r6h n MET 127 Cb 0.00 -2.89 -0.02 0.00 -0.00 0.00 0.00 33.22 30.32 1r6h n MET 127 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 175.97 177.54 1r6h h LYS 128 N 9.55 -0.23 -0.15 3.17 -0.00 -1.83 0.88 116.57 127.95 1r6h h LYS 128 Ca 0.28 0.02 -0.07 0.00 -0.00 0.00 0.00 60.65 60.87 1r6h h LYS 128 Cb 0.74 0.05 -0.01 0.00 -0.00 0.00 0.00 32.23 33.01 1r6h h LYS 128 CO 1.84 -0.15 -0.21 -0.92 -0.00 0.00 0.00 179.45 180.00 1r6h h TYR 129 N -0.33 0.29 0.09 0.07 3.20 -1.90 0.19 116.97 118.58 1r6h h TYR 129 Ca -0.02 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.79 1r6h h TYR 129 Cb 0.18 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.38 1r6h h TYR 129 CO 0.11 0.47 -0.04 0.93 -1.64 0.00 0.00 178.16 177.99 1r6h h GLU 130 N 0.25 -0.12 -0.38 1.82 3.07 -1.93 -2.52 114.58 114.77 1r6h h GLU 130 Ca 0.04 0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.81 1r6h h GLU 130 Cb 0.52 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.44 1r6h h GLU 130 CO 0.04 0.39 -0.18 0.22 -1.40 0.00 0.00 179.01 178.08 1r6h h ASP 131 N -0.75 0.71 0.04 1.42 1.82 -0.78 0.11 116.42 119.00 1r6h h ASP 131 Ca -0.01 -0.23 -0.00 0.00 -0.39 0.00 0.00 57.03 56.39 1r6h h ASP 131 Cb 0.57 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.39 1r6h h ASP 131 CO 0.02 0.89 -0.02 0.00 -1.61 0.00 0.00 179.24 178.52 1r6h h ALA 132 N 1.17 -0.05 -0.15 -0.78 0.00 -0.70 0.92 119.26 119.67 1r6h h ALA 132 Ca 0.10 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 1r6h h ALA 132 Cb 0.65 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1r6h h ALA 132 CO 0.05 -0.50 -0.77 0.82 0.00 0.00 0.00 179.25 178.84 1r6h h ILE 133 N -0.11 1.29 -0.00 0.00 1.08 -1.39 -1.85 117.51 116.53 1r6h h ILE 133 Ca -0.01 -1.99 -0.00 0.00 -0.39 0.00 0.00 64.86 62.47 1r6h h ILE 133 Cb 0.09 1.99 0.00 0.00 -3.07 0.00 0.00 36.82 35.83 1r6h h ILE 133 CO 0.01 0.63 -0.00 1.56 -0.69 0.00 0.00 178.15 179.65 1r6h h GLN 134 N 0.51 0.00 -0.36 2.37 7.50 -0.70 -0.70 115.11 123.74 1r6h h GLN 134 Ca -0.05 -0.00 -0.12 0.00 0.50 0.00 0.00 58.65 58.98 1r6h h GLN 134 Cb 1.40 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.91 1r6h h GLN 134 CO 0.16 0.73 -0.27 0.35 -1.50 0.00 0.00 178.83 178.29 1r6h h PHE 135 N -0.72 0.85 0.00 2.96 3.57 0.76 -2.55 116.94 121.80 1r6h h PHE 135 Ca -0.00 -0.21 -0.13 0.00 3.53 0.00 0.00 57.97 61.16 1r6h h PHE 135 Cb 0.73 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1r6h h PHE 135 CO 0.18 0.93 -0.62 0.97 -2.23 0.00 0.00 178.31 177.55 1r6h h ILE 136 N 0.64 1.32 -0.39 1.41 2.10 -1.38 -3.11 117.51 118.09 1r6h h ILE 136 Ca 0.08 -2.21 -0.03 0.00 1.08 0.00 0.00 64.86 63.78 1r6h h ILE 136 Cb 0.79 2.23 -0.02 0.00 -1.09 0.00 0.00 36.82 38.73 1r6h h ILE 136 CO 0.06 0.60 0.13 0.03 -1.08 0.00 0.00 178.15 177.90 1r6h h ARG 137 N 0.00 0.60 -0.50 2.19 3.08 -0.80 -2.96 114.38 115.99 1r6h h ARG 137 Ca -0.01 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 59.93 1r6h h ARG 137 Cb 1.18 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.12 1r6h h ARG 137 CO 0.08 0.60 0.33 0.37 -1.07 0.00 0.00 179.97 180.27 1r6h h GLN 138 N 0.48 0.64 -6.70 0.04 -0.00 -1.44 -3.43 115.11 104.71 1r6h h GLN 138 Ca 0.13 -0.04 -0.50 0.00 -0.00 0.00 0.00 58.65 58.24 1r6h h GLN 138 Cb 0.24 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.55 1r6h h GLN 138 CO -0.01 0.42 0.05 0.15 0.00 0.00 0.00 178.83 179.45 1r6h s LYS 139 N -6.15 3.89 -0.23 1.69 3.01 -1.12 -5.02 119.74 115.82 1r6h s LYS 139 Ca -0.13 0.52 -0.29 0.00 -1.01 0.00 0.00 55.97 55.06 1r6h s LYS 139 Cb 0.12 -2.47 -0.01 0.00 -1.01 0.00 0.00 37.83 34.46 1r6h s LYS 139 CO 0.74 0.14 1.37 0.50 0.51 0.00 0.00 175.35 178.61 1r6h s ARG 140 N -3.20 4.00 0.32 1.68 3.00 -1.26 -4.82 118.95 118.66 1r6h s ARG 140 Ca 0.52 1.51 0.09 0.00 -1.00 0.00 0.00 55.73 56.85 1r6h s ARG 140 Cb -0.10 -3.88 -0.05 0.00 0.00 0.00 0.00 34.95 30.91 1r6h s ARG 140 CO 0.22 -1.01 0.00 -0.98 0.00 0.00 0.00 175.30 173.53 1r6h s ARG 141 N 4.06 2.13 1.21 5.12 3.03 -1.26 -4.67 118.95 128.57 1r6h s ARG 141 Ca 0.60 -1.64 -0.18 0.00 2.03 0.00 0.00 55.73 56.53 1r6h s ARG 141 Cb -0.21 -2.00 0.28 0.00 -1.03 0.00 0.00 34.95 31.99 1r6h s ARG 141 CO 0.22 0.21 0.63 0.41 -1.13 0.00 0.00 175.30 175.64 1r6h n GLY 142 N -0.93 -2.85 3.55 3.88 0.00 -1.18 -4.77 105.19 102.88 1r6h n GLY 142 Ca -0.05 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 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 2.51 -0.46 4.61 0.00 -1.26 -4.88 121.76 120.20 1r6h s ALA 143 Ca 0.49 -1.15 -0.23 0.00 0.00 0.00 0.00 51.96 51.07 1r6h s ALA 143 Cb -0.09 -4.29 0.03 0.00 0.00 0.00 0.00 23.12 18.77 1r6h s ALA 143 CO 0.41 -3.56 0.80 0.96 0.00 0.00 0.00 175.76 174.37 1r6h s ILE 144 N 7.02 4.62 0.00 0.00 -4.36 -1.26 -4.91 121.20 122.31 1r6h s ILE 144 Ca 0.48 0.41 0.00 0.00 -0.26 0.00 0.00 60.65 61.28 1r6h s ILE 144 Cb -0.09 -4.35 0.00 0.00 1.25 0.00 0.00 42.46 39.27 1r6h s ILE 144 CO 0.16 -0.76 0.00 0.59 0.24 0.00 0.00 174.94 175.16 1r6h n ASN 145 N 6.79 0.00 -0.08 4.36 4.13 -1.26 -4.89 115.26 124.32 1r6h n ASN 145 Ca 0.02 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.20 1r6h n ASN 145 Cb 0.48 -0.06 -0.03 0.00 -1.54 0.00 0.00 39.78 38.63 1r6h n ASN 145 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1r6h n SER 146 N -1.62 1.76 -0.06 6.41 2.88 -1.26 -4.46 113.62 117.26 1r6h n SER 146 Ca 0.00 0.30 -0.07 0.00 -1.33 0.00 0.00 58.87 57.77 1r6h n SER 146 Cb 0.00 -0.72 -0.01 0.00 -0.75 0.00 0.00 64.21 62.73 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 -0.91 -0.15 0.18 -1.46 3.11 -1.96 0.35 116.57 115.73 1r6h h LYS 147 Ca 0.00 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.84 1r6h h LYS 147 Cb 0.90 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.17 1r6h h LYS 147 CO 0.00 -0.10 -0.08 0.37 -2.81 0.00 0.00 179.45 176.83 1r6h h GLN 148 N -0.15 -0.23 -0.09 1.90 -0.00 -1.93 0.60 115.11 115.21 1r6h h GLN 148 Ca 0.14 0.02 -0.18 0.00 -0.00 0.00 0.00 58.65 58.63 1r6h h GLN 148 Cb 0.37 0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.90 1r6h h GLN 148 CO -0.35 -0.14 -0.69 -0.07 0.00 0.00 0.00 178.83 177.57 1r6h h LEU 149 N -0.25 0.46 -0.04 -2.39 -0.00 -1.76 -2.50 115.31 108.84 1r6h h LEU 149 Ca -0.02 -0.29 -0.24 0.00 -0.00 0.00 0.00 57.88 57.33 1r6h h LEU 149 Cb 0.19 -0.14 0.02 0.00 -0.00 0.00 0.00 40.66 40.73 1r6h h LEU 149 CO 0.04 1.02 -0.91 0.00 -0.00 0.00 0.00 178.44 178.59 1r6h h THR 150 N 0.27 1.30 0.06 0.22 1.03 -0.22 -1.63 112.91 113.94 1r6h h THR 150 Ca -0.02 -2.15 -0.00 0.00 -0.01 0.00 0.00 66.41 64.23 1r6h h THR 150 Cb 1.25 2.32 0.00 0.00 -1.07 0.00 0.00 68.15 70.66 1r6h h THR 150 CO 0.12 0.66 -0.03 0.22 -0.01 0.00 0.00 175.52 176.48 1r6h h TYR 151 N 0.34 -0.08 -0.17 0.00 3.20 0.17 -1.93 116.97 118.51 1r6h h TYR 151 Ca -0.10 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.65 1r6h h TYR 151 Cb 1.56 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.85 1r6h h TYR 151 CO 0.11 0.14 -0.39 1.25 -1.64 0.00 0.00 178.16 177.62 1r6h h LEU 152 N -0.28 0.39 -1.20 2.82 6.46 -1.55 -0.69 115.31 121.25 1r6h h LEU 152 Ca -0.01 -0.16 0.03 0.00 -0.12 0.00 0.00 57.88 57.61 1r6h h LEU 152 Cb 0.25 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.03 1r6h h LEU 152 CO 0.01 0.75 0.55 -0.08 -0.62 0.00 0.00 178.44 179.05 1r6h h GLU 153 N 0.31 1.03 0.00 1.25 4.81 -1.18 0.13 114.58 120.93 1r6h h GLU 153 Ca 0.03 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1r6h h GLU 153 Cb 0.83 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1r6h h GLU 153 CO 0.07 0.68 -0.44 -0.22 -0.73 0.00 0.00 179.01 178.37 1r6h h LYS 154 N 1.06 0.00 -0.08 1.92 3.11 -0.91 -3.07 116.57 118.60 1r6h h LYS 154 Ca 0.32 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 58.09 1r6h h LYS 154 Cb -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.20 1r6h h LYS 154 CO -0.09 0.44 -0.28 -0.92 -2.81 0.00 0.00 179.45 175.79 1r6h h TYR 155 N 0.00 0.16 -3.44 1.91 5.03 0.76 -3.38 116.97 118.01 1r6h h TYR 155 Ca -0.00 -0.03 -0.72 0.00 2.58 0.00 0.00 58.73 60.56 1r6h h TYR 155 Cb 1.14 -0.04 -0.28 0.00 1.55 0.00 0.00 36.73 39.10 1r6h h TYR 155 CO 0.00 0.42 -0.46 0.50 -1.32 0.00 0.00 178.16 177.30 1r6h s ARG 156 N -4.40 2.59 0.55 1.82 3.00 -0.62 -5.02 118.95 116.87 1r6h s ARG 156 Ca -0.04 -1.49 -0.21 0.00 -1.00 0.00 0.00 55.73 52.98 1r6h s ARG 156 Cb 0.15 -3.80 -0.05 0.00 0.00 0.00 0.00 34.95 31.25 1r6h s ARG 156 CO 0.74 -0.98 1.32 -1.25 0.00 0.00 0.00 175.30 175.13 1r6h s PRO 157 N 1.42 3.14 -0.13 5.12 0.04 -1.26 -4.90 135.00 138.43 1r6h s PRO 157 Ca 0.03 2.14 -0.05 0.00 0.04 0.00 0.00 61.00 63.16 1r6h s PRO 157 Cb -0.23 -2.21 0.06 0.00 0.04 0.00 0.00 34.50 32.16 1r6h s PRO 157 CO 0.02 -1.16 0.27 0.21 0.04 0.00 0.00 177.00 176.38 1r6h s LYS 158 N -2.96 0.19 0.00 4.56 2.20 -1.26 -5.01 119.74 117.45 1r6h s LYS 158 Ca 0.72 0.70 0.26 0.00 -0.36 0.00 0.00 55.97 57.29 1r6h s LYS 158 Cb -0.38 -0.04 1.35 0.00 -1.51 0.00 0.00 37.83 37.25 1r6h s LYS 158 CO 0.44 -0.24 1.89 0.94 -0.36 0.00 0.00 175.35 178.02 1r6h n GLN 159 N 4.96 0.43 0.18 4.03 -0.06 -1.26 -3.47 117.38 122.19 1r6h n GLN 159 Ca -0.13 0.04 0.10 0.00 -2.00 0.00 0.00 57.00 55.01 1r6h n GLN 159 Cb 0.51 -1.50 0.62 0.00 -4.06 0.00 0.00 30.24 25.81 1r6h n GLN 159 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 1r6h h ARG 160 N 0.00 0.07 -0.01 3.69 1.12 -1.95 -0.86 114.38 116.43 1r6h h ARG 160 Ca 0.00 -0.00 -0.16 0.00 -1.11 0.00 0.00 59.98 58.71 1r6h h ARG 160 Cb 0.21 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.14 1r6h h ARG 160 CO 0.00 0.04 -0.73 1.25 -3.11 0.00 0.00 179.97 177.42 1r6h h LEU 161 N 0.07 0.10 0.00 3.80 6.46 -2.02 -3.46 115.31 120.26 1r6h h LEU 161 Ca 0.07 -0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 1r6h h LEU 161 Cb 0.20 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.09 1r6h h LEU 161 CO -0.01 0.79 -0.02 0.54 -0.62 0.00 0.00 178.44 179.12 1r6h n ARG 162 N -3.71 1.54 -3.52 1.25 3.00 -0.33 -5.14 116.66 109.75 1r6h n ARG 162 Ca -0.02 -0.23 -0.27 0.00 -0.01 0.00 0.00 57.85 57.32 1r6h n ARG 162 Cb 0.71 0.03 -0.03 0.00 0.00 0.00 0.00 32.46 33.17 1r6h n ARG 162 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1r6h s PHE 163 N -0.37 3.48 -0.30 -1.55 0.08 -1.26 -4.91 117.98 113.16 1r6h s PHE 163 Ca 0.02 0.43 -0.29 0.00 0.12 0.00 0.00 56.93 57.21 1r6h s PHE 163 Cb -0.00 -1.94 0.01 0.00 -0.57 0.00 0.00 43.02 40.53 1r6h s PHE 163 CO 0.01 0.26 1.10 0.15 -0.10 0.00 0.00 175.22 176.64 1r6h s LYS 164 N -3.61 4.09 0.27 0.44 -0.14 -1.26 -5.01 119.74 114.51 1r6h s LYS 164 Ca 0.40 1.15 -0.29 0.00 -1.36 0.00 0.00 55.97 55.87 1r6h s LYS 164 Cb -0.11 -3.74 -0.09 0.00 -1.68 0.00 0.00 37.83 32.21 1r6h s LYS 164 CO 0.31 -0.88 1.24 0.34 -0.76 0.00 0.00 175.35 175.60 1r6h s ASP 165 N 1.71 6.97 1.07 2.83 2.15 -1.26 -5.03 116.67 125.13 1r6h s ASP 165 Ca 0.47 2.45 -0.16 0.00 0.43 0.00 0.00 52.55 55.74 1r6h s ASP 165 Cb -0.13 -2.63 0.23 0.00 -0.30 0.00 0.00 42.92 40.09 1r6h s ASP 165 CO 0.15 -0.41 1.14 -2.16 -0.17 0.00 0.00 175.17 173.72 1r6h s PRO 166 N -1.07 -0.20 0.08 4.34 0.04 -1.26 -4.98 135.00 131.96 1r6h s PRO 166 Ca 0.50 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1r6h s PRO 166 Cb -0.36 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1r6h s PRO 166 CO 0.44 -3.06 0.00 1.58 0.04 0.00 0.00 177.00 176.00 1r6h n HIS 167 N -4.32 -2.04 -3.72 0.56 -0.00 -1.26 -5.17 115.22 99.27 1r6h n HIS 167 Ca 0.10 0.29 -0.04 0.00 0.46 0.00 0.00 57.72 58.54 1r6h n HIS 167 Cb 0.59 0.96 -0.01 0.00 -0.12 0.00 0.00 29.99 31.41 1r6h n HIS 167 CO 0.00 0.00 0.00 -0.08 0.46 0.00 0.00 176.34 176.72 1r6h s THR 168 N -2.00 0.00 0.84 3.57 -1.32 -1.26 -5.18 115.64 110.29 1r6h s THR 168 Ca 0.00 -0.56 -0.10 0.00 -1.21 0.00 0.00 61.69 59.83 1r6h s THR 168 Cb 0.00 -1.86 0.15 0.00 -1.51 0.00 0.00 72.50 69.28 1r6h s THR 168 CO 0.00 0.00 1.17 -1.00 -2.21 0.00 0.00 174.62 172.58 1r6h s HIS 169 N -3.22 1.86 -0.06 9.09 3.76 -1.26 -5.11 115.29 120.36 1r6h s HIS 169 Ca 0.11 0.19 -0.04 0.00 -0.15 0.00 0.00 55.06 55.17 1r6h s HIS 169 Cb -0.01 -3.62 0.03 0.00 1.11 0.00 0.00 32.58 30.09 1r6h s HIS 169 CO 0.00 -2.14 0.14 0.21 -0.85 0.00 0.00 174.74 172.10 1r6h s LYS 170 N -5.56 0.12 0.02 1.40 2.36 -1.26 -5.16 119.74 111.66 1r6h s LYS 170 Ca 0.69 0.29 -0.01 0.00 -2.55 0.00 0.00 55.97 54.39 1r6h s LYS 170 Cb -0.06 -0.07 -0.02 0.00 -1.05 0.00 0.00 37.83 36.63 1r6h s LYS 170 CO 0.49 -0.10 -0.02 -0.08 1.55 0.00 0.00 175.35 177.19 1r6h s THR 171 N 0.69 0.12 -2.00 3.43 -1.32 -1.26 -5.34 115.64 109.96 1r6h s THR 171 Ca -0.05 -0.99 0.20 0.00 -1.21 0.00 0.00 61.69 59.64 1r6h s THR 171 Cb -0.07 -0.41 0.57 0.00 -1.51 0.00 0.00 72.50 71.09 1r6h s THR 171 CO -0.03 -0.54 1.59 0.54 -2.21 0.00 0.00 174.62 173.96