#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 -0.83 -0.01 1.61 0.15 -1.26 -5.17 113.70 108.19 1r6h s SER 2 Ca 0.00 1.24 -0.15 0.00 0.70 0.00 0.00 55.95 57.74 1r6h s SER 2 Cb 0.00 1.60 0.02 0.00 -1.71 0.00 0.00 66.02 65.93 1r6h s SER 2 CO 0.00 -0.19 0.32 -2.28 1.20 0.00 0.00 173.24 172.29 1r6h s HIS 3 N 1.98 -0.19 0.50 3.44 5.04 -1.26 -5.13 115.29 119.68 1r6h s HIS 3 Ca -0.08 0.27 0.00 0.00 -1.54 0.00 0.00 55.06 53.71 1r6h s HIS 3 Cb -0.06 0.10 0.00 0.00 0.04 0.00 0.00 32.58 32.66 1r6h s HIS 3 CO -0.18 -0.40 0.00 -1.33 -2.34 0.00 0.00 174.74 170.49 1r6h n MET 4 N 1.24 -3.14 0.00 2.88 2.00 -1.26 -4.96 117.12 113.88 1r6h n MET 4 Ca -0.21 2.38 -0.00 0.00 0.00 0.00 0.00 57.70 59.86 1r6h n MET 4 Cb 0.56 -3.73 -0.00 0.00 0.00 0.00 0.00 33.22 30.05 1r6h n MET 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1r6h n ALA 5 N -3.46 2.39 -3.00 3.04 0.00 -1.26 -4.90 120.51 113.33 1r6h n ALA 5 Ca -0.05 -0.09 -0.44 0.00 0.00 0.00 0.00 53.44 52.87 1r6h n ALA 5 Cb 0.67 0.05 -0.01 0.00 0.00 0.00 0.00 19.45 20.16 1r6h n ALA 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1r6h s ARG 6 N -1.30 3.89 0.80 0.00 3.52 -1.26 -5.02 118.95 119.59 1r6h s ARG 6 Ca -0.02 -2.34 -0.11 0.00 -0.13 0.00 0.00 55.73 53.14 1r6h s ARG 6 Cb 0.00 -4.92 0.07 0.00 -1.56 0.00 0.00 34.95 28.54 1r6h s ARG 6 CO 0.02 -1.69 1.09 0.00 -0.81 0.00 0.00 175.30 173.91 1r6h s MET 7 N 1.63 2.02 0.06 5.12 0.23 -1.26 -5.06 119.30 122.03 1r6h s MET 7 Ca 0.36 1.07 0.08 0.00 -1.03 0.00 0.00 55.69 56.18 1r6h s MET 7 Cb -0.05 -1.88 -0.03 0.00 -1.53 0.00 0.00 34.83 31.35 1r6h s MET 7 CO -0.05 -1.78 -0.24 -0.80 -2.03 0.00 0.00 175.02 170.13 1r6h s ASN 8 N -3.42 2.84 0.30 -1.18 0.01 -1.26 -5.13 114.94 107.10 1r6h s ASN 8 Ca 0.62 -0.58 -0.28 0.00 -0.71 0.00 0.00 52.86 51.90 1r6h s ASN 8 Cb -0.17 -0.24 -0.09 0.00 0.41 0.00 0.00 41.25 41.16 1r6h s ASN 8 CO 0.56 0.20 1.08 -0.13 -1.51 0.00 0.00 177.10 177.30 1r6h s ARG 9 N -1.33 4.56 -0.42 -0.60 0.52 -1.26 -4.98 118.95 115.45 1r6h s ARG 9 Ca 0.10 1.74 -0.29 0.00 -0.52 0.00 0.00 55.73 56.76 1r6h s ARG 9 Cb -0.09 -3.08 0.01 0.00 0.52 0.00 0.00 34.95 32.31 1r6h s ARG 9 CO 0.02 0.16 1.40 -1.25 0.02 0.00 0.00 175.30 175.65 1r6h s PRO 10 N -1.62 3.58 0.48 3.54 0.04 -1.26 -5.01 135.00 134.75 1r6h s PRO 10 Ca 0.47 0.91 -0.22 0.00 0.04 0.00 0.00 61.00 62.20 1r6h s PRO 10 Cb -0.30 -4.02 -0.07 0.00 0.04 0.00 0.00 34.50 30.15 1r6h s PRO 10 CO 0.38 -1.56 1.11 0.00 0.04 0.00 0.00 177.00 176.98 1r6h s ALA 11 N 5.38 2.90 0.83 8.56 0.00 -1.26 -4.77 121.76 133.39 1r6h s ALA 11 Ca 0.60 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 53.25 1r6h s ALA 11 Cb -0.13 -3.33 0.09 0.00 0.00 0.00 0.00 23.12 19.75 1r6h s ALA 11 CO 0.33 -0.54 1.09 -1.25 0.00 0.00 0.00 175.76 175.39 1r6h s PRO 12 N -2.93 1.80 -0.08 0.00 0.04 -1.26 -4.81 135.00 127.76 1r6h s PRO 12 Ca 0.66 0.87 -0.03 0.00 0.04 0.00 0.00 61.00 62.54 1r6h s PRO 12 Cb -0.24 -1.87 0.04 0.00 0.04 0.00 0.00 34.50 32.48 1r6h s PRO 12 CO 0.28 -1.88 0.17 0.08 0.04 0.00 0.00 177.00 175.69 1r6h s VAL 13 N -2.98 -0.12 -0.19 -0.36 1.01 -0.51 -4.96 120.40 112.28 1r6h s VAL 13 Ca 0.62 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.78 1r6h s VAL 13 Cb -0.17 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 1r6h s VAL 13 CO 0.56 0.09 -0.01 -1.83 0.00 0.00 0.00 175.10 173.92 1r6h s GLU 14 N 1.55 3.64 -0.17 2.72 -1.05 -1.26 0.52 118.70 124.65 1r6h s GLU 14 Ca -0.05 -0.51 -0.05 0.00 -0.15 0.00 0.00 54.97 54.20 1r6h s GLU 14 Cb -0.12 -3.04 -0.03 0.00 -0.44 0.00 0.00 34.13 30.50 1r6h s GLU 14 CO -0.06 0.08 0.01 0.08 0.95 0.00 0.00 175.26 176.32 1r6h s VAL 15 N 0.81 4.30 -0.01 1.83 1.01 0.13 -4.93 120.40 123.53 1r6h s VAL 15 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.80 1r6h s VAL 15 Cb -0.14 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 1r6h s VAL 15 CO 0.02 0.48 -0.09 -0.94 0.00 0.00 0.00 175.10 174.57 1r6h s SER 16 N 0.38 1.09 -0.22 3.32 1.04 -1.26 0.12 113.70 118.17 1r6h s SER 16 Ca -0.01 -0.17 -0.12 0.00 0.48 0.00 0.00 55.95 56.14 1r6h s SER 16 Cb -0.13 -0.15 0.07 0.00 0.10 0.00 0.00 66.02 65.90 1r6h s SER 16 CO 0.02 0.10 0.53 -0.47 0.98 0.00 0.00 173.24 174.40 1r6h s TYR 17 N -0.14 -0.82 0.00 5.02 5.04 -1.08 -5.05 117.35 120.32 1r6h s TYR 17 Ca 0.02 1.67 0.00 0.00 -2.44 0.00 0.00 57.07 56.32 1r6h s TYR 17 Cb -0.04 0.43 0.00 0.00 0.35 0.00 0.00 41.96 42.70 1r6h s TYR 17 CO -0.00 -0.43 0.00 1.63 -1.34 0.00 0.00 175.55 175.40 1r6h n LYS 18 N 4.38 0.00 0.00 4.97 4.76 -1.26 -2.91 118.16 128.10 1r6h n LYS 18 Ca -0.21 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 1r6h n LYS 18 Cb 0.56 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.75 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 -2.32 2.13 -0.00 -1.26 -5.08 115.22 108.69 1r6h n HIS 19 Ca 0.00 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.84 1r6h n HIS 19 Cb 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 29.86 1r6h n HIS 19 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1r6h s MET 20 N -1.53 3.55 0.27 1.57 0.00 -1.15 -4.51 119.30 117.50 1r6h s MET 20 Ca 0.00 1.35 0.07 0.00 0.00 0.00 0.00 55.69 57.11 1r6h s MET 20 Cb 0.00 -2.06 -0.06 0.00 0.00 0.00 0.00 34.83 32.72 1r6h s MET 20 CO 0.00 -0.64 -0.07 1.03 0.00 0.00 0.00 175.02 175.34 1r6h s ARG 21 N -3.54 1.54 -0.01 3.16 0.52 -1.05 -2.65 118.95 116.92 1r6h s ARG 21 Ca 0.67 -1.77 0.01 0.00 -0.52 0.00 0.00 55.73 54.12 1r6h s ARG 21 Cb -0.17 -1.17 -0.00 0.00 0.52 0.00 0.00 34.95 34.13 1r6h s ARG 21 CO 0.27 0.06 -0.04 -0.06 0.02 0.00 0.00 175.30 175.55 1r6h s PHE 22 N -3.00 0.38 -0.04 -0.53 0.08 0.31 -3.09 117.98 112.09 1r6h s PHE 22 Ca 0.29 -0.07 0.06 0.00 0.12 0.00 0.00 56.93 57.33 1r6h s PHE 22 Cb 0.03 -0.26 -0.02 0.00 -0.57 0.00 0.00 43.02 42.20 1r6h s PHE 22 CO 0.12 -0.02 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.49 1r6h s LEU 23 N -0.01 2.31 -0.30 -0.37 2.01 0.78 0.19 118.68 123.28 1r6h s LEU 23 Ca 0.01 -0.38 0.02 0.00 0.01 0.00 0.00 54.13 53.78 1r6h s LEU 23 Cb -0.03 -1.43 0.07 0.00 0.01 0.00 0.00 46.19 44.81 1r6h s LEU 23 CO -0.00 0.30 -0.02 -0.63 1.01 0.00 0.00 176.35 177.01 1r6h s ILE 24 N -0.51 2.48 0.21 -0.59 -1.09 0.18 0.14 121.20 122.03 1r6h s ILE 24 Ca 0.07 -1.80 0.04 0.00 -2.23 0.00 0.00 60.65 56.73 1r6h s ILE 24 Cb -0.11 -2.56 -0.05 0.00 -1.58 0.00 0.00 42.46 38.15 1r6h s ILE 24 CO 0.01 -0.25 -0.03 0.42 -1.23 0.00 0.00 174.94 173.86 1r6h s THR 25 N 1.09 1.09 0.45 2.92 -4.23 0.11 -1.42 115.64 115.63 1r6h s THR 25 Ca -0.02 -2.04 -0.17 0.00 -1.18 0.00 0.00 61.69 58.28 1r6h s THR 25 Cb -0.20 -2.24 -0.09 0.00 1.34 0.00 0.00 72.50 71.32 1r6h s THR 25 CO -0.05 -0.42 0.91 -1.38 -0.54 0.00 0.00 174.62 173.14 1r6h s HIS 26 N -3.38 3.40 0.74 3.99 -3.43 -1.26 0.23 115.29 115.57 1r6h s HIS 26 Ca 0.26 1.41 -0.15 0.00 -0.80 0.00 0.00 55.06 55.78 1r6h s HIS 26 Cb 0.05 -2.72 0.04 0.00 -1.43 0.00 0.00 32.58 28.52 1r6h s HIS 26 CO 0.07 -0.19 1.20 0.54 -2.00 0.00 0.00 174.74 174.36 1r6h s ASN 27 N -2.71 4.15 0.32 7.38 4.22 -1.26 -4.85 114.94 122.19 1r6h s ASN 27 Ca 0.58 2.34 -0.29 0.00 -2.14 0.00 0.00 52.86 53.35 1r6h s ASN 27 Cb -0.10 -2.59 -0.13 0.00 1.28 0.00 0.00 41.25 39.72 1r6h s ASN 27 CO 0.24 -2.29 1.28 -2.65 -2.04 0.00 0.00 177.10 171.64 1r6h n PRO 28 N -2.79 2.02 -3.85 3.55 -0.02 -1.26 -4.99 135.00 127.66 1r6h n PRO 28 Ca 0.13 0.71 -0.34 0.00 -2.02 0.00 0.00 63.50 61.99 1r6h n PRO 28 Cb 0.50 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 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 -0.90 5.38 -0.99 3.45 -4.23 -1.26 -4.98 115.64 112.12 1r6h s THR 29 Ca 0.58 -0.05 0.17 0.00 -1.18 0.00 0.00 61.69 61.21 1r6h s THR 29 Cb -0.60 -3.56 0.14 0.00 1.34 0.00 0.00 72.50 69.82 1r6h s THR 29 CO 0.60 0.32 1.53 -0.46 -0.54 0.00 0.00 174.62 176.07 1r6h n ASN 30 N 0.94 0.02 -0.05 3.99 0.23 -1.26 -3.11 115.26 116.01 1r6h n ASN 30 Ca -0.10 0.50 -0.10 0.00 -0.53 0.00 0.00 54.58 54.35 1r6h n ASN 30 Cb 0.53 -0.51 -0.15 0.00 -2.08 0.00 0.00 39.78 37.57 1r6h n ASN 30 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1r6h n ALA 31 N -1.51 1.46 -3.47 -2.53 0.00 -1.26 -4.78 120.51 108.43 1r6h n ALA 31 Ca 0.04 -0.95 -0.29 0.00 0.00 0.00 0.00 53.44 52.24 1r6h n ALA 31 Cb 0.19 -0.61 -0.12 0.00 0.00 0.00 0.00 19.45 18.92 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 0.19 -0.13 0.00 -4.23 -1.18 -4.98 115.64 102.74 1r6h s THR 32 Ca -0.08 -1.79 -0.22 0.00 -1.18 0.00 0.00 61.69 58.42 1r6h s THR 32 Cb 0.07 -1.15 -0.20 0.00 1.34 0.00 0.00 72.50 72.56 1r6h s THR 32 CO 0.82 -1.00 0.58 -0.07 -0.54 0.00 0.00 174.62 174.41 1r6h h LEU 33 N 6.93 0.00 -0.57 4.79 -0.00 -1.87 -3.31 115.31 121.28 1r6h h LEU 33 Ca 0.07 -0.76 0.05 0.00 -0.00 0.00 0.00 57.88 57.24 1r6h h LEU 33 Cb 0.96 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.57 1r6h h LEU 33 CO 0.27 0.90 0.29 -1.28 -0.00 0.00 0.00 178.44 178.63 1r6h h SER 34 N -1.00 0.41 -0.38 -0.43 0.87 -1.94 -1.64 113.55 109.44 1r6h h SER 34 Ca -0.01 0.03 0.07 0.00 -1.23 0.00 0.00 61.79 60.65 1r6h h SER 34 Cb 0.79 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 1r6h h SER 34 CO -0.01 0.27 0.26 0.74 -0.53 0.00 0.00 176.83 177.57 1r6h h THR 35 N 0.55 0.93 -0.01 2.23 2.02 -1.98 -2.41 112.91 114.24 1r6h h THR 35 Ca 0.26 -0.08 -0.06 0.00 0.77 0.00 0.00 66.41 67.30 1r6h h THR 35 Cb 0.18 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1r6h h THR 35 CO -0.18 0.04 -0.24 0.15 0.37 0.00 0.00 175.52 175.66 1r6h h PHE 36 N 0.23 0.26 -0.92 3.16 3.04 -1.40 -2.67 116.94 118.64 1r6h h PHE 36 Ca 0.17 -0.13 0.11 0.00 3.98 0.00 0.00 57.97 62.09 1r6h h PHE 36 Cb 0.38 -0.03 -0.07 0.00 2.56 0.00 0.00 35.95 38.79 1r6h h PHE 36 CO -0.00 0.91 0.59 -0.84 -2.02 0.00 0.00 178.31 176.95 1r6h h ILE 37 N -0.47 0.94 0.13 1.41 3.07 -1.08 0.45 117.51 121.96 1r6h h ILE 37 Ca -0.03 -0.30 -0.01 0.00 1.55 0.00 0.00 64.86 66.07 1r6h h ILE 37 Cb 0.97 -0.02 0.00 0.00 -0.27 0.00 0.00 36.82 37.50 1r6h h ILE 37 CO 0.05 0.16 -0.06 -0.33 -1.05 0.00 0.00 178.15 176.92 1r6h h GLU 38 N 0.89 -0.17 0.02 0.16 4.39 -1.49 -0.76 114.58 117.62 1r6h h GLU 38 Ca 0.44 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.15 1r6h h GLU 38 Cb 0.47 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1r6h h GLU 38 CO -0.20 0.11 -0.01 -0.44 -1.16 0.00 0.00 179.01 177.31 1r6h h ASP 39 N -0.45 -0.02 -0.63 1.42 5.19 -1.04 0.89 116.42 121.79 1r6h h ASP 39 Ca -0.02 -0.43 0.05 0.00 -0.62 0.00 0.00 57.03 56.02 1r6h h ASP 39 Cb 0.36 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.82 1r6h h ASP 39 CO 0.03 0.42 0.34 -0.07 -3.12 0.00 0.00 179.24 176.84 1r6h h LEU 40 N -0.46 0.51 -0.33 1.55 3.38 -0.22 -0.59 115.31 119.15 1r6h h LEU 40 Ca -0.00 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1r6h h LEU 40 Cb 0.44 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1r6h h LEU 40 CO 0.00 0.33 -0.57 0.50 0.09 0.00 0.00 178.44 178.80 1r6h h LYS 41 N 0.64 0.00 -0.52 1.13 3.64 -1.14 -3.28 116.57 117.03 1r6h h LYS 41 Ca 0.28 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.75 1r6h h LYS 41 Cb 0.17 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.91 1r6h h LYS 41 CO -0.18 0.57 0.09 0.87 -2.27 0.00 0.00 179.45 178.53 1r6h h LYS 42 N 0.00 0.21 -0.66 1.90 1.57 0.25 -1.17 116.57 118.66 1r6h h LYS 42 Ca -0.01 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1r6h h LYS 42 Cb 1.30 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.53 1r6h h LYS 42 CO 0.07 0.14 0.21 -0.92 -0.57 0.00 0.00 179.45 178.38 1r6h h TYR 43 N 0.22 1.04 0.00 -1.35 5.03 -1.54 -3.49 116.97 116.88 1r6h h TYR 43 Ca 0.26 -0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.48 1r6h h TYR 43 Cb 0.37 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 38.35 1r6h h TYR 43 CO -0.25 0.83 0.00 0.41 -1.32 0.00 0.00 178.16 177.83 1r6h n GLY 44 N -0.85 -2.56 2.91 1.82 0.00 -0.44 -4.93 105.19 101.15 1r6h n GLY 44 Ca 0.05 -1.30 -0.25 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.74 1.17 0.03 4.61 0.00 -1.23 -4.40 121.76 120.20 1r6h s ALA 45 Ca 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.52 1r6h s ALA 45 Cb 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.35 1r6h s ALA 45 CO 0.00 -0.28 0.11 2.41 0.00 0.00 0.00 175.76 178.00 1r6h n THR 46 N 4.66 0.00 -2.02 0.00 -1.04 0.23 -3.90 114.28 112.21 1r6h n THR 46 Ca -0.15 -0.09 -0.36 0.00 -2.04 0.00 0.00 64.05 61.41 1r6h n THR 46 Cb 0.50 0.11 0.03 0.00 -1.82 0.00 0.00 70.33 69.15 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 -2.69 2.63 -0.04 12.58 -1.32 -1.25 -4.14 115.64 121.41 1r6h s THR 47 Ca 0.02 0.40 0.04 0.00 -1.21 0.00 0.00 61.69 60.95 1r6h s THR 47 Cb -0.00 -3.17 -0.00 0.00 -1.51 0.00 0.00 72.50 67.82 1r6h s THR 47 CO 0.01 -0.08 -0.16 -0.69 -2.21 0.00 0.00 174.62 171.49 1r6h s VAL 48 N -1.58 1.36 -0.34 5.08 1.01 0.94 -2.67 120.40 124.20 1r6h s VAL 48 Ca 0.76 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 1r6h s VAL 48 Cb -0.31 -1.18 0.08 0.00 0.00 0.00 0.00 36.38 34.98 1r6h s VAL 48 CO 0.34 0.40 0.07 0.54 0.00 0.00 0.00 175.10 176.44 1r6h s VAL 49 N 0.07 2.91 -0.29 2.92 0.11 -0.41 0.40 120.40 126.11 1r6h s VAL 49 Ca -0.04 -1.79 -0.02 0.00 -2.93 0.00 0.00 61.98 57.20 1r6h s VAL 49 Cb -0.11 -2.86 0.04 0.00 -1.53 0.00 0.00 36.38 31.92 1r6h s VAL 49 CO 0.02 -0.38 -0.01 0.00 -3.33 0.00 0.00 175.10 171.40 1r6h s ARG 50 N 1.14 2.51 -0.76 1.54 1.70 -1.15 -2.16 118.95 121.77 1r6h s ARG 50 Ca 0.02 -1.21 -0.11 0.00 -0.47 0.00 0.00 55.73 53.96 1r6h s ARG 50 Cb -0.21 -3.14 0.20 0.00 -0.57 0.00 0.00 34.95 31.23 1r6h s ARG 50 CO -0.04 -0.58 0.67 0.08 -1.08 0.00 0.00 175.30 174.35 1r6h s VAL 51 N 1.27 5.04 0.30 4.99 1.01 -1.26 -2.43 120.40 129.32 1r6h s VAL 51 Ca -0.04 -2.60 -0.18 0.00 0.00 0.00 0.00 61.98 59.15 1r6h s VAL 51 Cb -0.19 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.06 1r6h s VAL 51 CO -0.02 -0.98 0.70 0.00 0.00 0.00 0.00 175.10 174.80 1r6h s GLU 53 N -3.61 4.23 -0.18 0.00 0.41 -1.26 -4.31 118.70 113.98 1r6h s GLU 53 Ca 0.14 2.32 -0.28 0.00 -0.41 0.00 0.00 54.97 56.73 1r6h s GLU 53 Cb -0.05 -3.16 -0.00 0.00 -1.78 0.00 0.00 34.13 29.14 1r6h s GLU 53 CO 0.08 -0.56 0.98 0.14 -0.49 0.00 0.00 175.26 175.41 1r6h s VAL 54 N 1.00 4.76 0.00 2.63 -7.23 -1.26 -4.88 120.40 115.41 1r6h s VAL 54 Ca 0.68 1.94 0.00 0.00 -1.81 0.00 0.00 61.98 62.79 1r6h s VAL 54 Cb -0.43 -4.27 0.00 0.00 0.56 0.00 0.00 36.38 32.24 1r6h s VAL 54 CO 0.33 -0.08 0.00 0.35 -0.31 0.00 0.00 175.10 175.39 1r6h n THR 55 N 4.97 0.00 -3.66 5.32 -2.24 -1.26 -4.95 114.28 112.47 1r6h n THR 55 Ca 0.09 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.59 1r6h n THR 55 Cb 0.47 -1.25 -0.12 0.00 -2.10 0.00 0.00 70.33 67.34 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 2.14 0.07 4.78 2.02 -1.26 -4.95 117.35 118.15 1r6h s TYR 56 Ca 0.00 -2.65 -0.08 0.00 -0.37 0.00 0.00 57.07 53.97 1r6h s TYR 56 Cb 0.00 -1.80 -0.28 0.00 -0.40 0.00 0.00 41.96 39.48 1r6h s TYR 56 CO 0.00 -0.73 1.12 0.38 -1.57 0.00 0.00 175.55 174.76 1r6h h ASP 57 N 5.99 0.57 0.03 2.29 3.04 -1.99 -3.36 116.42 122.99 1r6h h ASP 57 Ca 0.13 -0.59 -0.05 0.00 -3.24 0.00 0.00 57.03 53.28 1r6h h ASP 57 Cb 0.87 -0.18 0.01 0.00 -1.04 0.00 0.00 39.33 38.98 1r6h h ASP 57 CO 0.51 1.45 -0.21 0.11 -2.04 0.00 0.00 179.24 179.06 1r6h h LYS 58 N 0.12 0.08 -0.48 4.15 6.56 -1.98 -3.21 116.57 121.81 1r6h h LYS 58 Ca -0.16 -0.13 0.08 0.00 -1.06 0.00 0.00 60.65 59.37 1r6h h LYS 58 Cb 1.98 0.05 -0.10 0.00 -0.57 0.00 0.00 32.23 33.59 1r6h h LYS 58 CO 0.22 1.05 -0.43 1.15 -2.06 0.00 0.00 179.45 179.38 1r6h h THR 59 N -0.82 0.10 -0.13 -0.16 2.02 -1.98 0.40 112.91 112.34 1r6h h THR 59 Ca -0.04 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 66.98 1r6h h THR 59 Cb 1.15 0.10 0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1r6h h THR 59 CO 0.04 0.00 -0.58 1.55 0.37 0.00 0.00 175.52 176.90 1r6h h PRO 60 N -0.28 0.62 -0.14 6.66 0.13 -1.75 -3.14 132.00 134.09 1r6h h PRO 60 Ca 0.16 -0.49 -0.09 0.00 -0.87 0.00 0.00 66.00 64.70 1r6h h PRO 60 Cb 0.57 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1r6h h PRO 60 CO -0.62 1.11 -0.26 -0.07 -0.23 0.00 0.00 178.00 177.94 1r6h h LEU 61 N 0.28 0.48 -1.79 1.56 3.38 -1.52 -2.24 115.31 115.45 1r6h h LEU 61 Ca -0.03 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 1r6h h LEU 61 Cb 1.21 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1r6h h LEU 61 CO 0.12 0.93 -0.02 -0.33 0.09 0.00 0.00 178.44 179.23 1r6h h GLU 62 N 0.04 0.11 0.06 1.13 4.39 -0.34 1.24 114.58 121.21 1r6h h GLU 62 Ca 0.01 -0.01 -0.25 0.00 0.34 0.00 0.00 59.36 59.44 1r6h h GLU 62 Cb 0.84 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 1r6h h GLU 62 CO 0.06 0.14 -1.22 0.87 -1.16 0.00 0.00 179.01 177.70 1r6h h LYS 63 N 0.11 0.14 0.00 2.33 1.57 -1.52 -3.34 116.57 115.85 1r6h h LYS 63 Ca 0.03 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1r6h h LYS 63 Cb 0.10 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1r6h h LYS 63 CO 0.00 1.06 -1.07 -0.40 -0.57 0.00 0.00 179.45 178.47 1r6h n ASP 64 N -3.41 0.85 -2.68 0.86 5.68 -0.85 -4.98 116.55 112.03 1r6h n ASP 64 Ca -0.07 -0.84 -0.12 0.00 -0.50 0.00 0.00 54.79 53.26 1r6h n ASP 64 Cb 0.99 1.13 -0.01 0.00 -1.14 0.00 0.00 41.12 42.10 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 -0.49 3.90 6.12 0.00 0.42 -4.93 105.19 111.66 1r6h n GLY 65 Ca 0.03 0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.54 5.28 0.04 -0.61 1.01 -1.25 -5.07 121.20 118.07 1r6h s ILE 66 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 60.65 60.44 1r6h s ILE 66 Cb -0.05 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1r6h s ILE 66 CO 0.12 0.21 1.03 0.42 0.00 0.00 0.00 174.94 176.72 1r6h s THR 67 N -1.46 4.56 0.02 2.92 -4.23 -1.26 -4.93 115.64 111.25 1r6h s THR 67 Ca 0.34 1.90 -0.08 0.00 -1.18 0.00 0.00 61.69 62.66 1r6h s THR 67 Cb -0.13 -4.22 0.00 0.00 1.34 0.00 0.00 72.50 69.50 1r6h s THR 67 CO 0.22 0.18 0.16 0.54 -0.54 0.00 0.00 174.62 175.17 1r6h s VAL 68 N 0.77 0.10 -0.16 2.29 0.11 -1.26 -0.04 120.40 122.21 1r6h s VAL 68 Ca 0.52 -0.81 -0.07 0.00 -2.93 0.00 0.00 61.98 58.69 1r6h s VAL 68 Cb -0.24 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 1r6h s VAL 68 CO 0.29 -0.45 0.06 -0.69 -3.33 0.00 0.00 175.10 170.99 1r6h s VAL 69 N -1.95 4.82 -0.45 2.04 1.01 0.16 -4.88 120.40 121.16 1r6h s VAL 69 Ca -0.10 -0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 1r6h s VAL 69 Cb -0.04 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.25 1r6h s VAL 69 CO -0.01 0.50 0.35 -1.81 0.00 0.00 0.00 175.10 174.13 1r6h s ASP 70 N 0.03 6.09 -0.38 3.32 1.01 -1.26 -2.93 116.67 122.54 1r6h s ASP 70 Ca 0.06 -1.20 -0.04 0.00 0.71 0.00 0.00 52.55 52.08 1r6h s ASP 70 Cb -0.12 -2.16 0.08 0.00 1.01 0.00 0.00 42.92 41.73 1r6h s ASP 70 CO 0.01 -0.57 0.16 0.26 0.21 0.00 0.00 175.17 175.24 1r6h s TRP 71 N 1.64 3.43 -0.75 4.23 0.52 -1.02 -5.04 118.94 121.95 1r6h s TRP 71 Ca 0.04 -2.02 -0.07 0.00 0.02 0.00 0.00 56.10 54.07 1r6h s TRP 71 Cb -0.22 -2.85 0.20 0.00 -1.15 0.00 0.00 33.47 29.44 1r6h s TRP 71 CO 0.07 -0.89 0.63 -1.25 0.02 0.00 0.00 176.95 175.53 1r6h s PRO 72 N 1.25 3.12 -0.80 4.98 0.04 -1.26 -1.55 135.00 140.78 1r6h s PRO 72 Ca 0.03 -2.61 -0.22 0.00 0.04 0.00 0.00 61.00 58.24 1r6h s PRO 72 Cb -0.22 -4.06 0.08 0.00 0.04 0.00 0.00 34.50 30.33 1r6h s PRO 72 CO -0.02 -1.23 1.14 0.12 0.04 0.00 0.00 177.00 177.05 1r6h s PHE 73 N -0.15 2.70 0.00 0.56 5.36 -1.26 -4.80 117.98 120.39 1r6h s PHE 73 Ca 0.19 -0.73 0.00 0.00 -0.96 0.00 0.00 56.93 55.43 1r6h s PHE 73 Cb -0.15 -4.41 0.00 0.00 -0.34 0.00 0.00 43.02 38.12 1r6h s PHE 73 CO -0.06 -1.73 0.00 -0.25 -1.46 0.00 0.00 175.22 171.72 1r6h n ASP 74 N 7.89 0.87 0.19 6.13 9.92 -1.26 -4.89 116.55 135.40 1r6h n ASP 74 Ca 0.10 -0.54 0.18 0.00 -0.53 0.00 0.00 54.79 54.01 1r6h n ASP 74 Cb 0.48 0.00 0.82 0.00 -0.64 0.00 0.00 41.12 41.78 1r6h n ASP 74 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1r6h h ASP 75 N 0.00 0.00 -0.79 -2.24 3.58 -2.07 -1.00 116.42 113.91 1r6h h ASP 75 Ca 0.00 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.89 1r6h h ASP 75 Cb 0.00 0.00 -0.38 0.00 1.72 0.00 0.00 39.33 40.67 1r6h h ASP 75 CO 0.00 0.00 -0.36 0.61 -2.88 0.00 0.00 179.24 176.61 1r6h n GLY 76 N -1.39 6.20 3.88 -0.78 0.00 -1.26 -5.04 105.19 106.79 1r6h n GLY 76 Ca 0.03 -2.51 -0.30 0.00 0.00 0.00 0.00 46.02 43.24 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 -3.64 3.34 -0.37 4.61 0.00 -0.38 -5.01 121.76 120.31 1r6h s ALA 77 Ca 0.54 -0.20 -0.28 0.00 0.00 0.00 0.00 51.96 52.01 1r6h s ALA 77 Cb 0.43 -2.72 -0.01 0.00 0.00 0.00 0.00 23.12 20.83 1r6h s ALA 77 CO 0.02 -0.04 1.66 -1.25 0.00 0.00 0.00 175.76 176.15 1r6h s PRO 78 N -3.91 3.40 0.24 0.00 0.04 -1.26 -4.92 135.00 128.59 1r6h s PRO 78 Ca 0.51 1.22 -0.06 0.00 0.04 0.00 0.00 61.00 62.71 1r6h s PRO 78 Cb -0.10 -4.14 0.24 0.00 0.04 0.00 0.00 34.50 30.54 1r6h s PRO 78 CO 0.32 -1.78 1.91 -1.35 0.04 0.00 0.00 177.00 176.14 1r6h h PRO 79 N 12.14 1.30 -6.90 0.56 0.11 -1.99 -3.45 132.00 133.76 1r6h h PRO 79 Ca -0.31 -0.09 -0.56 0.00 0.11 0.00 0.00 66.00 65.15 1r6h h PRO 79 Cb 1.14 -0.28 0.13 0.00 0.11 0.00 0.00 31.00 32.10 1r6h h PRO 79 CO 1.06 0.87 0.57 -0.35 -0.21 0.00 0.00 178.00 179.94 1r6h n PRO 80 N -4.38 2.00 0.30 1.05 -0.04 -1.26 -4.89 135.00 127.77 1r6h n PRO 80 Ca 0.11 0.71 0.20 0.00 -0.04 0.00 0.00 63.50 64.48 1r6h n PRO 80 Cb 0.03 -2.48 0.90 0.00 -0.04 0.00 0.00 33.50 31.91 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 2.06 0.00 0.19 0.55 0.00 -1.99 -3.06 103.07 100.81 1r6h h GLY 81 Ca -0.49 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.10 1r6h h GLY 81 CO 0.60 0.00 0.66 1.70 0.00 0.00 0.00 176.54 179.50 1r6h h LYS 82 N 0.00 0.00 -0.30 4.80 3.64 -1.94 0.53 116.57 123.29 1r6h h LYS 82 Ca 0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1r6h h LYS 82 Cb 0.30 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1r6h h LYS 82 CO 0.00 0.00 0.08 0.28 -2.27 0.00 0.00 179.45 177.54 1r6h h VAL 83 N 0.00 0.88 -0.87 2.00 2.07 -1.87 0.17 116.25 118.63 1r6h h VAL 83 Ca 0.42 -0.07 0.11 0.00 0.82 0.00 0.00 66.70 67.99 1r6h h VAL 83 Cb 1.73 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 32.10 1r6h h VAL 83 CO -0.00 0.04 0.56 0.58 0.02 0.00 0.00 177.57 178.76 1r6h h VAL 84 N 0.20 0.92 -0.13 2.57 2.07 -0.19 0.76 116.25 122.44 1r6h h VAL 84 Ca 0.14 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1r6h h VAL 84 Cb 0.14 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1r6h h VAL 84 CO -0.17 0.14 0.06 -0.33 0.02 0.00 0.00 177.57 177.30 1r6h h GLU 85 N 0.78 0.17 0.01 1.57 5.08 -0.31 0.79 114.58 122.68 1r6h h GLU 85 Ca 0.42 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1r6h h GLU 85 Cb 0.52 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1r6h h GLU 85 CO -0.18 0.14 -0.01 -0.44 -1.00 0.00 0.00 179.01 177.52 1r6h h ASP 86 N 0.18 -0.02 0.41 1.42 3.32 0.20 -1.32 116.42 120.61 1r6h h ASP 86 Ca 0.05 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 56.85 1r6h h ASP 86 Cb 0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1r6h h ASP 86 CO -0.01 0.18 -0.24 -0.25 -1.72 0.00 0.00 179.24 177.20 1r6h h TRP 87 N -0.21 0.00 -0.59 4.55 2.91 -1.04 -2.14 115.95 119.43 1r6h h TRP 87 Ca -0.00 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.95 1r6h h TRP 87 Cb 0.21 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.83 1r6h h TRP 87 CO -0.01 0.24 0.11 -0.07 -1.03 0.00 0.00 178.44 177.68 1r6h h LEU 88 N 0.00 0.89 -0.37 0.65 3.38 -0.33 -0.62 115.31 118.91 1r6h h LEU 88 Ca -0.00 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 1r6h h LEU 88 Cb 0.52 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1r6h h LEU 88 CO 0.03 0.89 -0.26 0.28 0.09 0.00 0.00 178.44 179.47 1r6h h SER 89 N 0.89 0.88 0.11 -0.43 0.02 -0.62 0.68 113.55 115.08 1r6h h SER 89 Ca 0.19 -0.43 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1r6h h SER 89 Cb 0.37 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 1r6h h SER 89 CO 0.01 1.13 -0.07 0.25 -1.14 0.00 0.00 176.83 177.00 1r6h h LEU 90 N 0.64 -0.18 -0.49 5.07 7.12 -1.09 -1.07 115.31 125.31 1r6h h LEU 90 Ca 0.07 0.01 -0.17 0.00 0.13 0.00 0.00 57.88 57.93 1r6h h LEU 90 Cb 0.83 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 41.01 1r6h h LEU 90 CO 0.07 -0.11 -0.59 1.62 -0.13 0.00 0.00 178.44 179.29 1r6h h VAL 91 N -0.18 1.33 -0.42 1.05 3.04 -1.10 -2.60 116.25 117.38 1r6h h VAL 91 Ca -0.01 -1.87 0.05 0.00 -1.01 0.00 0.00 66.70 63.86 1r6h h VAL 91 Cb 0.15 1.86 -0.05 0.00 -2.01 0.00 0.00 31.29 31.24 1r6h h VAL 91 CO 0.01 0.58 0.15 0.11 -1.01 0.00 0.00 177.57 177.40 1r6h h LYS 92 N 0.39 0.30 -0.36 4.17 1.79 0.62 0.76 116.57 124.25 1r6h h LYS 92 Ca -0.00 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.39 1r6h h LYS 92 Cb 1.14 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.71 1r6h h LYS 92 CO 0.11 0.20 0.01 0.00 -1.08 0.00 0.00 179.45 178.69 1r6h h ALA 93 N 1.27 0.48 0.00 3.86 0.00 -1.18 0.24 119.26 123.92 1r6h h ALA 93 Ca 0.19 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1r6h h ALA 93 Cb 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1r6h h ALA 93 CO -0.20 0.23 -0.17 0.87 0.00 0.00 0.00 179.25 179.98 1r6h h LYS 94 N 0.44 0.00 0.00 0.00 1.79 -1.01 -0.79 116.57 117.00 1r6h h LYS 94 Ca 0.10 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.53 1r6h h LYS 94 Cb 0.44 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 1r6h h LYS 94 CO 0.02 0.17 -0.23 0.74 -1.08 0.00 0.00 179.45 179.06 1r6h h PHE 95 N 0.00 0.00 -0.75 -1.35 -1.00 0.89 -1.87 116.94 112.86 1r6h h PHE 95 Ca -0.00 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 1r6h h PHE 95 Cb 0.53 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.06 1r6h h PHE 95 CO 0.00 0.88 0.24 0.00 -1.61 0.00 0.00 178.31 177.82 1r6h h GLU 97 N 1.12 0.12 -3.19 0.00 4.57 -1.29 -3.39 114.58 112.51 1r6h h GLU 97 Ca 0.24 -0.13 -0.63 0.00 -1.18 0.00 0.00 59.36 57.66 1r6h h GLU 97 Cb 0.30 0.04 -0.41 0.00 -0.16 0.00 0.00 28.75 28.52 1r6h h GLU 97 CO -0.01 0.90 -0.67 0.00 -1.18 0.00 0.00 179.01 178.04 1r6h s ALA 98 N -3.19 2.86 0.14 2.92 0.00 -0.70 -5.06 121.76 118.73 1r6h s ALA 98 Ca -0.02 -3.04 -0.30 0.00 0.00 0.00 0.00 51.96 48.61 1r6h s ALA 98 Cb 0.11 -2.04 -0.07 0.00 0.00 0.00 0.00 23.12 21.11 1r6h s ALA 98 CO 0.81 -2.04 1.04 -1.25 0.00 0.00 0.00 175.76 174.32 1r6h s PRO 99 N -0.12 4.64 -0.95 0.00 0.04 -1.16 -3.81 135.00 133.65 1r6h s PRO 99 Ca 0.18 1.59 -0.03 0.00 0.04 0.00 0.00 61.00 62.79 1r6h s PRO 99 Cb -0.23 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1r6h s PRO 99 CO -0.01 0.13 0.81 0.41 0.04 0.00 0.00 177.00 178.38 1r6h n GLY 100 N 2.19 -0.17 2.65 0.56 0.00 -1.26 -4.94 105.19 104.22 1r6h n GLY 100 Ca 0.03 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 1r6h n GLY 100 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r6h n SER 101 N -2.34 1.52 -4.26 1.61 2.88 -1.25 -4.76 113.62 107.02 1r6h n SER 101 Ca -0.13 -2.07 -0.36 0.00 -1.33 0.00 0.00 58.87 54.98 1r6h n SER 101 Cb 0.60 -0.26 -0.13 0.00 -0.75 0.00 0.00 64.21 63.66 1r6h n SER 101 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r6h s VAL 103 N 1.39 5.07 0.01 0.00 1.01 -1.18 0.76 120.40 127.46 1r6h s VAL 103 Ca 0.00 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.46 1r6h s VAL 103 Cb -0.17 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1r6h s VAL 103 CO -0.01 0.07 -0.24 0.00 0.00 0.00 0.00 175.10 174.93 1r6h s ALA 104 N -1.54 1.98 0.16 5.51 0.00 -1.09 -0.16 121.76 126.61 1r6h s ALA 104 Ca 0.33 -1.07 -0.02 0.00 0.00 0.00 0.00 51.96 51.20 1r6h s ALA 104 Cb -0.12 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1r6h s ALA 104 CO 0.26 0.47 0.10 0.08 0.00 0.00 0.00 175.76 176.68 1r6h s VAL 105 N -0.64 0.06 0.73 0.00 1.01 0.37 -1.28 120.40 120.65 1r6h s VAL 105 Ca 0.09 -1.90 -0.13 0.00 0.00 0.00 0.00 61.98 60.04 1r6h s VAL 105 Cb -0.09 -2.18 0.04 0.00 0.00 0.00 0.00 36.38 34.14 1r6h s VAL 105 CO 0.00 -0.29 1.13 -2.28 0.00 0.00 0.00 175.10 173.66 1r6h s HIS 106 N -4.08 2.40 -0.63 5.22 5.65 -0.92 0.04 115.29 122.97 1r6h s HIS 106 Ca 0.29 1.59 -0.26 0.00 0.25 0.00 0.00 55.06 56.92 1r6h s HIS 106 Cb 0.07 -3.22 -0.03 0.00 -1.18 0.00 0.00 32.58 28.22 1r6h s HIS 106 CO 0.05 -2.01 1.97 0.00 -0.65 0.00 0.00 174.74 174.10 1r6h n VAL 108 N 7.44 0.00 0.04 0.00 3.14 -1.26 -3.78 118.33 123.91 1r6h n VAL 108 Ca 0.26 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.64 1r6h n VAL 108 Cb 0.52 -0.62 0.02 0.00 -1.06 0.00 0.00 33.84 32.70 1r6h n VAL 108 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1r6h n ALA 109 N -1.00 1.11 -2.92 1.55 0.00 -1.26 -4.34 120.51 113.64 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 0.09 -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 -1.34 2.33 2.99 0.00 0.00 -1.25 -5.02 105.19 102.90 1r6h n GLY 110 Ca 0.00 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 1.52 0.00 0.99 1.43 -1.26 -4.11 118.68 117.25 1r6h s LEU 111 Ca 0.00 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1r6h s LEU 111 Cb 0.00 -0.82 0.00 0.00 0.03 0.00 0.00 46.19 45.40 1r6h s LEU 111 CO 0.00 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.18 1r6h n GLY 112 N 4.11 2.80 0.00 -3.19 0.00 -1.26 -5.00 105.19 102.65 1r6h n GLY 112 Ca -0.20 -0.22 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 0.81 -0.24 1.61 3.00 -1.26 -4.69 116.66 115.88 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 -0.95 0.16 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 0.95 -0.52 7.54 0.00 -1.90 -2.74 119.26 122.60 1r6h h ALA 114 Ca 0.00 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1r6h h ALA 114 Cb 0.05 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 1r6h h ALA 114 CO 0.00 -0.21 0.02 -1.00 0.00 0.00 0.00 179.25 178.06 1r6h h PRO 115 N 0.42 0.13 -0.30 0.00 0.13 -1.89 0.17 132.00 130.66 1r6h h PRO 115 Ca 0.38 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.49 1r6h h PRO 115 Cb 0.54 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 1r6h h PRO 115 CO -0.38 0.09 0.14 0.28 -0.23 0.00 0.00 178.00 177.90 1r6h h VAL 116 N 0.14 1.16 -0.83 1.56 2.07 -1.84 -2.49 116.25 116.01 1r6h h VAL 116 Ca 0.26 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1r6h h VAL 116 Cb 0.40 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1r6h h VAL 116 CO -0.42 0.16 0.53 -0.07 0.02 0.00 0.00 177.57 177.80 1r6h h LEU 117 N 0.35 0.89 0.51 2.57 3.38 -1.13 -0.77 115.31 121.11 1r6h h LEU 117 Ca 0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1r6h h LEU 117 Cb 0.13 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1r6h h LEU 117 CO -0.01 0.62 -0.24 0.58 0.09 0.00 0.00 178.44 179.47 1r6h h VAL 118 N 1.05 0.49 0.14 1.22 2.07 -0.48 -1.27 116.25 119.45 1r6h h VAL 118 Ca 0.33 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.72 1r6h h VAL 118 Cb -0.01 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1r6h h VAL 118 CO -0.11 0.02 -0.14 0.00 0.02 0.00 0.00 177.57 177.36 1r6h h ALA 119 N -0.31 -0.28 -0.65 1.67 0.00 -1.35 -1.31 119.26 117.04 1r6h h ALA 119 Ca -0.07 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 54.98 1r6h h ALA 119 Cb 0.56 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1r6h h ALA 119 CO 0.11 -0.68 0.46 -0.07 0.00 0.00 0.00 179.25 179.08 1r6h h LEU 120 N -0.31 0.07 -0.18 0.00 -0.00 -1.14 0.14 115.31 113.89 1r6h h LEU 120 Ca 0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.74 1r6h h LEU 120 Cb 0.30 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 1r6h h LEU 120 CO -0.04 0.04 -0.50 0.00 -0.00 0.00 0.00 178.44 177.93 1r6h h ALA 121 N 1.68 0.30 0.00 1.53 0.00 -0.31 -2.82 119.26 119.64 1r6h h ALA 121 Ca 0.31 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1r6h h ALA 121 Cb 1.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1r6h h ALA 121 CO -0.03 0.47 0.00 -0.11 0.00 0.00 0.00 179.25 179.59 1r6h n LEU 122 N -4.17 0.55 0.09 0.00 7.94 0.33 -2.59 117.00 119.15 1r6h n LEU 122 Ca -0.07 0.66 0.13 0.00 -1.11 0.00 0.00 56.01 55.63 1r6h n LEU 122 Cb 0.59 -0.62 0.63 0.00 0.53 0.00 0.00 43.42 44.55 1r6h n LEU 122 CO 0.47 -0.61 1.14 0.40 -1.11 0.00 0.00 177.39 177.68 1r6h h ILE 123 N 0.00 0.88 0.00 1.96 2.04 -0.90 0.40 117.51 121.89 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 0.26 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 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 0.09 0.00 -0.24 2.37 4.11 -1.67 -3.02 114.58 116.21 1r6h h GLU 124 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 1r6h h GLU 124 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1r6h h GLU 124 CO -0.01 0.00 0.00 0.43 0.07 0.00 0.00 179.01 179.50 1r6h n SER 125 N -2.59 0.93 0.00 3.06 7.64 0.13 -4.99 113.62 117.80 1r6h n SER 125 Ca 0.01 -2.02 0.00 0.00 1.01 0.00 0.00 58.87 57.87 1r6h n SER 125 Cb 0.24 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1r6h n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r6h n GLY 126 N 0.66 1.39 3.54 0.23 0.00 -1.14 -4.92 105.19 104.95 1r6h n GLY 126 Ca 0.05 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 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 0.45 0.04 1.61 -0.00 -1.26 -4.70 117.12 113.26 1r6h n MET 127 Ca 0.00 -1.75 -0.02 0.00 -0.00 0.00 0.00 57.70 55.93 1r6h n MET 127 Cb 0.00 -3.61 -0.01 0.00 -0.00 0.00 0.00 33.22 29.60 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 10.81 -0.12 -0.23 3.17 -0.00 -1.83 -1.61 116.57 126.76 1r6h h LYS 128 Ca 0.11 0.01 -0.08 0.00 -0.00 0.00 0.00 60.65 60.69 1r6h h LYS 128 Cb 0.92 0.03 -0.01 0.00 -0.00 0.00 0.00 32.23 33.16 1r6h h LYS 128 CO 1.27 -0.08 -0.20 -0.92 -0.00 0.00 0.00 179.45 179.53 1r6h h TYR 129 N -0.27 0.45 0.07 0.07 3.20 -1.90 0.30 116.97 118.88 1r6h h TYR 129 Ca -0.01 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 1r6h h TYR 129 Cb 0.09 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.25 1r6h h TYR 129 CO 0.06 0.59 -0.03 0.93 -1.64 0.00 0.00 178.16 178.07 1r6h h GLU 130 N 0.37 -0.09 -0.23 1.82 3.07 -1.94 -2.51 114.58 115.07 1r6h h GLU 130 Ca 0.06 0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.79 1r6h h GLU 130 Cb 0.56 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 1r6h h GLU 130 CO 0.04 0.45 -0.45 0.22 -1.40 0.00 0.00 179.01 177.88 1r6h h ASP 131 N -0.70 0.63 0.02 1.42 3.58 -1.26 0.19 116.42 120.29 1r6h h ASP 131 Ca -0.01 -0.30 -0.00 0.00 0.42 0.00 0.00 57.03 57.14 1r6h h ASP 131 Cb 0.58 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1r6h h ASP 131 CO 0.01 0.99 -0.01 0.00 -2.88 0.00 0.00 179.24 177.36 1r6h h ALA 132 N 1.04 -0.02 -0.08 -0.78 0.00 -0.48 0.91 119.26 119.84 1r6h h ALA 132 Ca 0.03 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1r6h h ALA 132 Cb 0.97 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.77 1r6h h ALA 132 CO 0.09 -0.48 -0.84 0.82 0.00 0.00 0.00 179.25 178.84 1r6h h ILE 133 N -0.09 1.33 -0.00 0.00 1.08 -1.44 -1.81 117.51 116.58 1r6h h ILE 133 Ca -0.00 -2.16 -0.01 0.00 -0.39 0.00 0.00 64.86 62.30 1r6h h ILE 133 Cb 0.08 2.17 0.00 0.00 -3.07 0.00 0.00 36.82 36.00 1r6h h ILE 133 CO 0.00 0.66 -0.03 -0.61 -0.69 0.00 0.00 178.15 177.49 1r6h h GLN 134 N 0.38 0.02 -0.25 2.37 4.15 -0.52 -0.79 115.11 120.47 1r6h h GLN 134 Ca -0.06 -0.02 -0.13 0.00 0.77 0.00 0.00 58.65 59.21 1r6h h GLN 134 Cb 1.46 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.14 1r6h h GLN 134 CO 0.16 0.73 -0.38 0.35 -1.93 0.00 0.00 178.83 177.75 1r6h h PHE 135 N -0.67 0.67 0.00 3.99 3.57 0.73 -2.57 116.94 122.66 1r6h h PHE 135 Ca -0.00 -0.19 -0.12 0.00 3.53 0.00 0.00 57.97 61.19 1r6h h PHE 135 Cb 0.74 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1r6h h PHE 135 CO 0.17 0.87 -0.55 0.97 -2.23 0.00 0.00 178.31 177.54 1r6h h ILE 136 N 0.47 1.19 0.17 1.41 2.10 -1.39 -2.75 117.51 118.71 1r6h h ILE 136 Ca 0.04 -2.05 -0.01 0.00 1.08 0.00 0.00 64.86 63.93 1r6h h ILE 136 Cb 0.88 2.17 0.00 0.00 -1.09 0.00 0.00 36.82 38.78 1r6h h ILE 136 CO 0.08 0.54 -0.08 0.03 -1.08 0.00 0.00 178.15 177.63 1r6h h ARG 137 N 0.00 -0.23 -0.49 2.19 3.08 -0.81 -3.17 114.38 114.95 1r6h h ARG 137 Ca -0.01 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1r6h h ARG 137 Cb 1.13 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.20 1r6h h ARG 137 CO 0.07 0.05 0.32 0.37 -1.07 0.00 0.00 179.97 179.71 1r6h h GLN 138 N -0.49 0.64 -7.04 0.04 -0.00 -1.50 -3.43 115.11 103.34 1r6h h GLN 138 Ca -0.02 -0.04 -0.47 0.00 -0.00 0.00 0.00 58.65 58.12 1r6h h GLN 138 Cb 0.38 -0.14 -0.00 0.00 0.00 0.00 0.00 27.48 27.71 1r6h h GLN 138 CO 0.04 0.42 0.29 0.15 0.00 0.00 0.00 178.83 179.73 1r6h s LYS 139 N -6.15 4.04 -0.20 1.69 -0.14 -1.04 -4.99 119.74 112.94 1r6h s LYS 139 Ca -0.13 0.92 -0.29 0.00 -1.36 0.00 0.00 55.97 55.11 1r6h s LYS 139 Cb 0.12 -2.22 -0.02 0.00 -1.68 0.00 0.00 37.83 34.03 1r6h s LYS 139 CO 0.74 -0.09 1.42 0.50 -0.76 0.00 0.00 175.35 177.15 1r6h s ARG 140 N -3.56 4.02 0.32 1.68 3.00 -1.26 -4.78 118.95 118.36 1r6h s ARG 140 Ca 0.58 1.61 0.09 0.00 -1.00 0.00 0.00 55.73 57.02 1r6h s ARG 140 Cb -0.10 -3.90 -0.05 0.00 0.00 0.00 0.00 34.95 30.91 1r6h s ARG 140 CO 0.23 -1.00 0.02 -0.98 0.00 0.00 0.00 175.30 173.57 1r6h s ARG 141 N 4.08 2.17 0.00 5.12 3.03 -1.26 -4.47 118.95 127.61 1r6h s ARG 141 Ca 0.62 -1.63 0.00 0.00 2.03 0.00 0.00 55.73 56.75 1r6h s ARG 141 Cb -0.23 -2.03 0.00 0.00 -1.03 0.00 0.00 34.95 31.67 1r6h s ARG 141 CO 0.23 0.20 0.00 0.41 -1.13 0.00 0.00 175.30 175.01 1r6h n GLY 142 N -0.96 -3.54 3.43 3.88 0.00 -1.26 -4.85 105.19 101.89 1r6h n GLY 142 Ca -0.05 -1.20 -0.44 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.01 3.22 -0.47 4.61 0.00 -1.26 -4.95 121.76 120.90 1r6h s ALA 143 Ca 0.00 -2.02 -0.23 0.00 0.00 0.00 0.00 51.96 49.71 1r6h s ALA 143 Cb 0.00 -3.78 0.03 0.00 0.00 0.00 0.00 23.12 19.37 1r6h s ALA 143 CO 0.00 -2.67 0.80 0.96 0.00 0.00 0.00 175.76 174.85 1r6h s ILE 144 N 3.57 4.62 0.00 0.00 -4.36 -1.26 -4.91 121.20 118.86 1r6h s ILE 144 Ca 0.20 0.37 0.00 0.00 -0.26 0.00 0.00 60.65 60.96 1r6h s ILE 144 Cb -0.18 -4.35 0.00 0.00 1.25 0.00 0.00 42.46 39.18 1r6h s ILE 144 CO 0.08 -0.78 0.00 0.59 0.24 0.00 0.00 174.94 175.07 1r6h n ASN 145 N 6.80 0.00 -0.08 4.36 4.13 -1.26 -4.90 115.26 124.31 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 -0.05 -0.03 0.00 -1.54 0.00 0.00 39.78 38.64 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 -1.56 1.80 0.07 6.41 2.88 -1.26 -4.56 113.62 117.39 1r6h n SER 146 Ca 0.00 0.31 -0.12 0.00 -1.33 0.00 0.00 58.87 57.73 1r6h n SER 146 Cb 0.00 -0.72 -0.05 0.00 -0.75 0.00 0.00 64.21 62.69 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 -0.92 -0.22 -0.02 -1.46 3.11 -1.96 0.84 116.57 115.95 1r6h h LYS 147 Ca 0.00 0.01 0.03 0.00 -2.81 0.00 0.00 60.65 57.88 1r6h h LYS 147 Cb 0.92 0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 32.17 1r6h h LYS 147 CO 0.00 -0.14 -0.14 0.37 -2.81 0.00 0.00 179.45 176.72 1r6h h GLN 148 N -0.22 -0.22 -0.02 1.90 -0.00 -1.93 0.62 115.11 115.24 1r6h h GLN 148 Ca 0.03 0.02 -0.11 0.00 -0.00 0.00 0.00 58.65 58.58 1r6h h GLN 148 Cb 0.26 0.05 0.01 0.00 0.00 0.00 0.00 27.48 27.80 1r6h h GLN 148 CO -0.10 -0.15 -0.44 -0.07 0.00 0.00 0.00 178.83 178.08 1r6h h LEU 149 N -0.23 0.41 -1.09 -2.39 -0.00 -1.80 -2.67 115.31 107.54 1r6h h LEU 149 Ca 0.06 -0.74 -0.08 0.00 -0.00 0.00 0.00 57.88 57.12 1r6h h LEU 149 Cb 0.30 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 1r6h h LEU 149 CO -0.16 1.10 -0.22 0.74 -0.00 0.00 0.00 178.44 179.90 1r6h h THR 150 N -0.23 1.24 0.05 0.22 2.02 -0.82 0.64 112.91 116.05 1r6h h THR 150 Ca -0.05 -1.13 -0.00 0.00 0.77 0.00 0.00 66.41 65.99 1r6h h THR 150 Cb 1.15 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1r6h h THR 150 CO 0.09 0.36 -0.03 0.22 0.37 0.00 0.00 175.52 176.53 1r6h h TYR 151 N 0.34 -0.07 -0.15 3.16 3.20 0.20 -1.65 116.97 122.00 1r6h h TYR 151 Ca 0.06 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.79 1r6h h TYR 151 Cb 0.58 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 1r6h h TYR 151 CO 0.01 0.35 -0.48 1.25 -1.64 0.00 0.00 178.16 177.66 1r6h h LEU 152 N -0.51 0.43 -1.36 2.82 6.46 -1.44 -1.31 115.31 120.40 1r6h h LEU 152 Ca -0.01 -0.21 0.01 0.00 -0.12 0.00 0.00 57.88 57.56 1r6h h LEU 152 Cb 0.45 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 1r6h h LEU 152 CO 0.01 0.84 0.44 -0.08 -0.62 0.00 0.00 178.44 179.03 1r6h h GLU 153 N 0.32 0.84 0.00 1.25 4.22 -0.86 0.17 114.58 120.51 1r6h h GLU 153 Ca 0.02 -0.05 -0.09 0.00 0.08 0.00 0.00 59.36 59.32 1r6h h GLU 153 Cb 0.96 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1r6h h GLU 153 CO 0.08 0.56 -0.43 -0.22 -2.18 0.00 0.00 179.01 176.82 1r6h h LYS 154 N 0.87 0.00 -0.48 1.92 3.11 -0.80 -3.06 116.57 118.12 1r6h h LYS 154 Ca 0.25 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 58.00 1r6h h LYS 154 Cb -0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.15 1r6h h LYS 154 CO -0.06 0.43 -0.05 -0.92 -2.81 0.00 0.00 179.45 176.04 1r6h h TYR 155 N 0.00 0.90 -3.56 1.91 5.03 0.45 -3.34 116.97 118.36 1r6h h TYR 155 Ca -0.00 -0.15 -0.74 0.00 2.58 0.00 0.00 58.73 60.42 1r6h h TYR 155 Cb 1.02 -0.24 -0.32 0.00 1.55 0.00 0.00 36.73 38.74 1r6h h TYR 155 CO 0.00 0.85 -0.05 0.50 -1.32 0.00 0.00 178.16 178.14 1r6h s ARG 156 N -4.91 3.28 0.58 1.82 3.00 -0.77 -5.07 118.95 116.88 1r6h s ARG 156 Ca -0.10 -2.83 -0.18 0.00 -1.00 0.00 0.00 55.73 51.62 1r6h s ARG 156 Cb 0.14 -4.10 -0.04 0.00 0.00 0.00 0.00 34.95 30.95 1r6h s ARG 156 CO 0.82 -1.24 1.12 -1.25 0.00 0.00 0.00 175.30 174.75 1r6h s PRO 157 N -0.56 3.20 -0.13 5.12 0.04 -1.26 -4.91 135.00 136.51 1r6h s PRO 157 Ca 0.22 1.53 -0.05 0.00 0.04 0.00 0.00 61.00 62.74 1r6h s PRO 157 Cb -0.12 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.48 1r6h s PRO 157 CO -0.08 -0.95 0.27 0.21 0.04 0.00 0.00 177.00 176.49 1r6h s LYS 158 N -3.54 0.19 0.60 4.56 2.20 -1.26 -5.02 119.74 117.47 1r6h s LYS 158 Ca 0.71 0.70 0.38 0.00 -0.36 0.00 0.00 55.97 57.40 1r6h s LYS 158 Cb -0.22 -0.04 1.83 0.00 -1.51 0.00 0.00 37.83 37.89 1r6h s LYS 158 CO 0.31 -0.24 2.16 0.37 -0.36 0.00 0.00 175.35 177.59 1r6h h GLN 159 N 7.90 0.00 -0.13 4.03 4.15 -1.97 -2.50 115.11 126.57 1r6h h GLN 159 Ca -0.23 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.22 1r6h h GLN 159 Cb 1.13 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.81 1r6h h GLN 159 CO 0.21 0.02 0.09 0.00 -1.93 0.00 0.00 178.83 177.23 1r6h h ARG 160 N 0.00 0.05 -0.10 1.69 3.08 -1.98 -2.34 114.38 114.78 1r6h h ARG 160 Ca -0.00 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1r6h h ARG 160 Cb 0.27 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1r6h h ARG 160 CO 0.00 0.03 -0.04 -0.07 -1.07 0.00 0.00 179.97 178.83 1r6h h LEU 161 N 0.05 0.21 -8.08 3.04 3.38 -1.89 -3.43 115.31 108.59 1r6h h LEU 161 Ca 0.06 -0.39 -0.60 0.00 0.09 0.00 0.00 57.88 57.04 1r6h h LEU 161 Cb 0.18 -0.06 -0.34 0.00 0.09 0.00 0.00 40.66 40.54 1r6h h LEU 161 CO -0.00 0.55 -0.84 -0.60 0.09 0.00 0.00 178.44 177.63 1r6h s ARG 162 N -4.65 2.39 -0.08 1.13 3.00 -0.88 -5.05 118.95 114.82 1r6h s ARG 162 Ca -0.15 -0.63 -0.04 0.00 -1.00 0.00 0.00 55.73 53.91 1r6h s ARG 162 Cb 0.04 -1.97 -0.02 0.00 0.00 0.00 0.00 34.95 33.00 1r6h s ARG 162 CO 0.71 -0.01 0.19 0.35 0.00 0.00 0.00 175.30 176.54 1r6h h PHE 163 N 7.25 -0.15 -2.46 5.12 3.57 -1.84 -3.44 116.94 125.00 1r6h h PHE 163 Ca -0.30 -0.00 -0.54 0.00 3.53 0.00 0.00 57.97 60.66 1r6h h PHE 163 Cb 1.19 0.05 0.01 0.00 2.79 0.00 0.00 35.95 39.98 1r6h h PHE 163 CO 0.48 -0.09 1.19 0.15 -2.23 0.00 0.00 178.31 177.80 1r6h s LYS 164 N -2.04 4.08 -0.54 1.11 1.02 -1.26 -4.95 119.74 117.15 1r6h s LYS 164 Ca -0.02 2.37 -0.19 0.00 0.02 0.00 0.00 55.97 58.14 1r6h s LYS 164 Cb 0.00 -4.10 0.07 0.00 -0.52 0.00 0.00 37.83 33.28 1r6h s LYS 164 CO 0.07 -1.00 0.67 0.34 -0.92 0.00 0.00 175.35 174.50 1r6h s ASP 165 N 4.26 6.21 1.21 2.83 2.15 -1.26 -5.06 116.67 127.01 1r6h s ASP 165 Ca 0.83 -1.08 -0.19 0.00 0.43 0.00 0.00 52.55 52.54 1r6h s ASP 165 Cb -0.38 -2.30 0.29 0.00 -0.30 0.00 0.00 42.92 40.23 1r6h s ASP 165 CO 0.36 -0.99 1.09 -2.16 -0.17 0.00 0.00 175.17 173.30 1r6h s PRO 166 N 2.72 -1.32 0.29 4.34 0.04 -1.26 -5.09 135.00 134.72 1r6h s PRO 166 Ca 0.14 -0.01 0.03 0.00 0.04 0.00 0.00 61.00 61.19 1r6h s PRO 166 Cb -0.21 -1.58 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 1r6h s PRO 166 CO 0.10 -3.78 0.28 -1.58 0.04 0.00 0.00 177.00 172.05 1r6h s HIS 167 N -2.93 1.42 -0.11 0.56 2.46 -1.26 -5.16 115.29 110.27 1r6h s HIS 167 Ca 0.70 -1.49 -0.00 0.00 0.47 0.00 0.00 55.06 54.74 1r6h s HIS 167 Cb -0.11 -0.53 -0.02 0.00 -0.13 0.00 0.00 32.58 31.79 1r6h s HIS 167 CO 0.56 -0.85 -0.09 0.99 -2.47 0.00 0.00 174.74 172.88 1r6h s THR 168 N -3.61 3.44 0.40 0.89 2.01 -1.26 -5.12 115.64 112.39 1r6h s THR 168 Ca 0.38 -0.54 0.08 0.00 0.31 0.00 0.00 61.69 61.91 1r6h s THR 168 Cb 0.03 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 1r6h s THR 168 CO 0.21 0.54 0.28 -1.00 -0.69 0.00 0.00 174.62 173.97 1r6h s HIS 169 N -0.06 2.70 -0.31 4.92 3.76 -1.26 -5.12 115.29 119.92 1r6h s HIS 169 Ca -0.01 -0.48 -0.06 0.00 -0.15 0.00 0.00 55.06 54.37 1r6h s HIS 169 Cb -0.14 -2.00 0.19 0.00 1.11 0.00 0.00 32.58 31.74 1r6h s HIS 169 CO 0.03 0.06 0.92 0.21 -0.85 0.00 0.00 174.74 175.11 1r6h s LYS 170 N -4.01 0.29 -0.23 1.40 2.20 -1.26 -5.14 119.74 112.99 1r6h s LYS 170 Ca 0.44 0.15 0.01 0.00 -0.36 0.00 0.00 55.97 56.21 1r6h s LYS 170 Cb -0.01 0.10 0.06 0.00 -1.51 0.00 0.00 37.83 36.46 1r6h s LYS 170 CO 0.26 -0.50 -0.07 0.99 -0.36 0.00 0.00 175.35 175.66 1r6h s THR 171 N 2.64 1.66 -2.00 3.43 2.01 -1.26 -5.38 115.64 116.75 1r6h s THR 171 Ca 0.21 -1.25 0.32 0.00 0.31 0.00 0.00 61.69 61.27 1r6h s THR 171 Cb -0.03 -1.86 0.90 0.00 0.01 0.00 0.00 72.50 71.52 1r6h s THR 171 CO -0.21 -0.03 2.21 0.54 -0.69 0.00 0.00 174.62 176.44