#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h6u s SER 7 N 0.00 6.70 0.12 -1.43 0.15 -1.26 -4.74 113.70 113.23 2h6u s SER 7 Ca 0.00 2.63 0.21 0.00 0.70 0.00 0.00 55.95 59.49 2h6u s SER 7 Cb 0.00 -2.62 0.85 0.00 -1.71 0.00 0.00 66.02 62.54 2h6u s SER 7 CO 0.00 -0.67 1.65 -0.81 1.20 0.00 0.00 173.24 174.62 2h6u n PRO 8 N 2.31 0.10 -4.10 5.44 -0.04 -1.26 -4.56 135.00 132.89 2h6u n PRO 8 Ca 0.06 0.27 -0.34 0.00 -0.04 0.00 0.00 63.50 63.46 2h6u n PRO 8 Cb 0.41 -1.67 -0.15 0.00 -0.04 0.00 0.00 33.50 32.05 2h6u n PRO 8 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2h6u s LEU 9 N -3.70 2.60 0.28 1.53 2.96 -1.26 -0.87 118.68 120.22 2h6u s LEU 9 Ca 0.07 -0.48 0.06 0.00 -0.22 0.00 0.00 54.13 53.57 2h6u s LEU 9 Cb 0.11 -1.63 -0.06 0.00 0.50 0.00 0.00 46.19 45.11 2h6u s LEU 9 CO 0.39 0.01 -0.04 -0.94 -1.32 0.00 0.00 176.35 174.44 2h6u s SER 10 N 1.27 2.71 0.23 3.68 1.04 -0.28 -4.45 113.70 117.89 2h6u s SER 10 Ca 0.03 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.25 2h6u s SER 10 Cb -0.14 -0.16 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 2h6u s SER 10 CO -0.05 -0.38 0.17 0.28 0.98 0.00 0.00 173.24 174.23 2h6u s THR 11 N -3.05 0.00 -0.28 2.02 -1.32 -1.26 -0.83 115.64 110.92 2h6u s THR 11 Ca 0.30 -1.98 -0.13 0.00 -1.21 0.00 0.00 61.69 58.67 2h6u s THR 11 Cb 0.05 -2.49 0.10 0.00 -1.51 0.00 0.00 72.50 68.64 2h6u s THR 11 CO 0.12 0.00 0.65 -2.28 -2.21 0.00 0.00 174.62 170.90 2h6u s HIS 12 N -4.01 -1.14 -0.20 9.09 2.46 -1.26 -4.22 115.29 116.01 2h6u s HIS 12 Ca 0.39 2.15 -0.05 0.00 0.47 0.00 0.00 55.06 58.02 2h6u s HIS 12 Cb 0.06 0.67 -0.02 0.00 -0.13 0.00 0.00 32.58 33.16 2h6u s HIS 12 CO 0.15 -0.57 -0.00 0.08 -2.47 0.00 0.00 174.74 171.93 2h6u s VAL 13 N 2.12 3.92 -0.15 0.89 1.01 -0.09 -0.65 120.40 127.45 2h6u s VAL 13 Ca -0.08 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2h6u s VAL 13 Cb -0.08 -2.78 0.01 0.00 0.00 0.00 0.00 36.38 33.53 2h6u s VAL 13 CO -0.19 0.42 -0.21 -0.76 0.00 0.00 0.00 175.10 174.36 2h6u s LEU 14 N 1.07 2.15 -0.87 3.92 1.43 -0.52 -0.09 118.68 125.76 2h6u s LEU 14 Ca 0.02 -0.60 -0.25 0.00 -1.03 0.00 0.00 54.13 52.27 2h6u s LEU 14 Cb -0.14 -1.46 0.04 0.00 0.03 0.00 0.00 46.19 44.65 2h6u s LEU 14 CO 0.01 0.07 1.38 0.21 0.23 0.00 0.00 176.35 178.26 2h6u s ASN 15 N 0.88 6.29 0.00 2.29 3.84 -0.24 -0.78 114.94 127.21 2h6u s ASN 15 Ca -0.05 -0.92 0.26 0.00 0.21 0.00 0.00 52.86 52.36 2h6u s ASN 15 Cb -0.15 -2.56 1.35 0.00 -0.55 0.00 0.00 41.25 39.34 2h6u s ASN 15 CO -0.03 -1.71 1.90 2.30 -2.79 0.00 0.00 177.10 176.77 2h6u n ILE 16 N 6.66 0.14 0.09 -5.21 -5.35 -0.56 -0.53 119.36 114.60 2h6u n ILE 16 Ca 0.18 0.03 -0.22 0.00 -0.27 0.00 0.00 62.75 62.48 2h6u n ILE 16 Cb 0.50 -0.60 -0.15 0.00 -1.74 0.00 0.00 39.64 37.65 2h6u n ILE 16 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2h6u h ALA 17 N 3.28 0.09 0.00 -1.28 0.00 -1.89 -3.37 119.26 116.09 2h6u h ALA 17 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.85 2h6u h ALA 17 Cb 0.23 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2h6u h ALA 17 CO 0.00 0.96 -0.95 1.04 0.00 0.00 0.00 179.25 180.30 2h6u n GLN 18 N -3.60 1.56 -2.16 0.00 6.02 -1.12 -5.00 117.38 113.08 2h6u n GLN 18 Ca -0.21 -0.03 -0.09 0.00 -0.01 0.00 0.00 57.00 56.67 2h6u n GLN 18 Cb 1.08 -1.27 -0.00 0.00 1.02 0.00 0.00 30.24 31.07 2h6u n GLN 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2h6u n GLY 19 N 1.42 0.02 3.31 1.08 0.00 0.31 -5.04 105.19 106.28 2h6u n GLY 19 Ca 0.02 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 2h6u n GLY 19 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2h6u s VAL 20 N -2.43 1.59 0.48 1.61 -7.23 -1.12 -5.01 120.40 108.30 2h6u s VAL 20 Ca 0.00 -2.06 -0.24 0.00 -1.81 0.00 0.00 61.98 57.88 2h6u s VAL 20 Cb 0.00 -1.89 -0.07 0.00 0.56 0.00 0.00 36.38 34.98 2h6u s VAL 20 CO 0.00 -0.54 1.35 -2.84 -0.31 0.00 0.00 175.10 172.76 2h6u s PRO 21 N -3.35 3.55 -1.29 4.82 0.02 -1.26 -1.08 135.00 136.41 2h6u s PRO 21 Ca 0.18 2.23 -0.18 0.00 0.02 0.00 0.00 61.00 63.25 2h6u s PRO 21 Cb -0.02 -2.50 0.07 0.00 0.02 0.00 0.00 34.50 32.07 2h6u s PRO 21 CO 0.05 -0.86 1.72 0.20 -0.33 0.00 0.00 177.00 177.79 2h6u s GLY 22 N -0.81 1.63 0.49 0.52 0.00 0.86 -4.62 107.32 105.40 2h6u s GLY 22 Ca 0.64 -2.89 -0.18 0.00 0.00 0.00 0.00 44.72 42.29 2h6u s GLY 22 CO 0.49 2.72 0.98 0.00 0.00 0.00 0.00 173.10 177.30 2h6u s ALA 23 N 4.25 3.02 -1.40 3.20 0.00 -1.26 -4.18 121.76 125.40 2h6u s ALA 23 Ca 0.54 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2h6u s ALA 23 Cb 0.04 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 20.01 2h6u s ALA 23 CO 0.07 -0.18 0.00 0.09 0.00 0.00 0.00 175.76 175.74 2h6u n ASN 24 N -1.30 -4.76 -4.75 0.00 5.03 -0.66 -4.93 115.26 103.88 2h6u n ASN 24 Ca 0.07 0.03 -0.37 0.00 0.87 0.00 0.00 54.58 55.18 2h6u n ASN 24 Cb 0.54 -3.86 -0.07 0.00 -1.02 0.00 0.00 39.78 35.37 2h6u n ASN 24 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 2h6u s MET 25 N -4.63 4.18 0.07 3.52 1.75 -1.26 -4.78 119.30 118.16 2h6u s MET 25 Ca 0.00 0.20 -0.30 0.00 -1.25 0.00 0.00 55.69 54.33 2h6u s MET 25 Cb 0.00 -3.39 -0.05 0.00 2.84 0.00 0.00 34.83 34.23 2h6u s MET 25 CO 0.00 0.32 1.15 0.99 -0.65 0.00 0.00 175.02 176.82 2h6u s THR 26 N 0.20 4.15 -0.03 10.11 2.01 -1.26 -0.94 115.64 129.88 2h6u s THR 26 Ca 0.19 1.59 0.04 0.00 0.31 0.00 0.00 61.69 63.82 2h6u s THR 26 Cb -0.14 -4.02 -0.00 0.00 0.01 0.00 0.00 72.50 68.35 2h6u s THR 26 CO 0.06 0.15 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.37 2h6u s ILE 27 N 0.84 1.18 -0.08 1.82 1.01 -0.47 -0.88 121.20 124.62 2h6u s ILE 27 Ca 0.56 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.63 2h6u s ILE 27 Cb -0.28 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.20 2h6u s ILE 27 CO 0.30 0.34 -0.11 -0.69 0.00 0.00 0.00 174.94 174.78 2h6u s VAL 28 N -0.07 1.12 -0.18 2.92 1.01 -0.26 -0.72 120.40 124.22 2h6u s VAL 28 Ca 0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 2h6u s VAL 28 Cb -0.09 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2h6u s VAL 28 CO 0.01 0.36 0.05 -0.22 0.00 0.00 0.00 175.10 175.29 2h6u s LEU 29 N 0.92 3.75 0.24 3.92 2.96 -0.19 -0.54 118.68 129.74 2h6u s LEU 29 Ca -0.10 0.06 0.10 0.00 -0.22 0.00 0.00 54.13 53.97 2h6u s LEU 29 Cb -0.15 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 2h6u s LEU 29 CO 0.01 0.18 -0.17 -1.00 -1.32 0.00 0.00 176.35 174.04 2h6u s HIS 30 N 0.34 1.98 -0.04 5.38 3.76 0.02 -0.40 115.29 126.32 2h6u s HIS 30 Ca 0.02 -0.46 0.04 0.00 -0.15 0.00 0.00 55.06 54.51 2h6u s HIS 30 Cb -0.13 -0.89 -0.00 0.00 1.11 0.00 0.00 32.58 32.68 2h6u s HIS 30 CO 0.00 0.52 -0.15 0.50 -0.85 0.00 0.00 174.74 174.77 2h6u s ARG 31 N -3.55 1.58 0.19 1.40 3.52 -0.27 -1.02 118.95 120.81 2h6u s ARG 31 Ca 0.26 -0.52 -0.31 0.00 -0.13 0.00 0.00 55.73 55.02 2h6u s ARG 31 Cb -0.03 -1.38 -0.11 0.00 -1.56 0.00 0.00 34.95 31.87 2h6u s ARG 31 CO 0.10 0.19 1.59 -1.17 -0.81 0.00 0.00 175.30 175.21 2h6u s LEU 32 N 0.13 4.37 -0.34 -0.88 2.96 0.33 -1.23 118.68 124.02 2h6u s LEU 32 Ca -0.05 2.71 -0.29 0.00 -0.22 0.00 0.00 54.13 56.28 2h6u s LEU 32 Cb -0.11 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.98 2h6u s LEU 32 CO 0.02 -0.85 1.28 -0.62 -1.32 0.00 0.00 176.35 174.86 2h6u s ASP 33 N 1.01 6.64 0.00 3.68 -1.08 0.14 -4.68 116.67 122.38 2h6u s ASP 33 Ca 0.69 1.05 0.15 0.00 -0.52 0.00 0.00 52.55 53.93 2h6u s ASP 33 Cb -0.45 -2.54 0.80 0.00 -1.46 0.00 0.00 42.92 39.27 2h6u s ASP 33 CO 0.34 -1.14 1.42 -0.81 0.52 0.00 0.00 175.17 175.50 2h6u n PRO 34 N 7.46 0.26 -0.02 4.34 -0.04 -1.26 -3.74 135.00 142.00 2h6u n PRO 34 Ca 0.14 0.12 -0.03 0.00 -0.04 0.00 0.00 63.50 63.70 2h6u n PRO 34 Cb 0.47 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 2h6u n PRO 34 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2h6u n VAL 35 N -1.24 0.55 -1.30 0.52 0.31 -1.26 -4.97 118.33 110.94 2h6u n VAL 35 Ca 0.08 0.31 -0.26 0.00 -0.01 0.00 0.00 64.34 64.46 2h6u n VAL 35 Cb 0.11 -1.68 0.20 0.00 -0.91 0.00 0.00 33.84 31.57 2h6u n VAL 35 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2h6u n SER 36 N -3.16 -1.16 -1.24 4.52 3.41 -1.25 -4.96 113.62 109.78 2h6u n SER 36 Ca -0.04 -1.21 -0.05 0.00 -0.26 0.00 0.00 58.87 57.31 2h6u n SER 36 Cb 0.15 -0.87 0.21 0.00 -0.26 0.00 0.00 64.21 63.43 2h6u n SER 36 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2h6u n SER 37 N -4.28 2.81 -4.78 4.04 3.41 -1.25 -4.50 113.62 109.07 2h6u n SER 37 Ca 0.14 -3.66 -0.37 0.00 -0.26 0.00 0.00 58.87 54.72 2h6u n SER 37 Cb 0.51 -0.65 -0.06 0.00 -0.26 0.00 0.00 64.21 63.75 2h6u n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h6u s ALA 38 N -3.20 3.20 -0.47 7.33 0.00 -1.26 -4.73 121.76 122.64 2h6u s ALA 38 Ca 0.46 0.61 -0.24 0.00 0.00 0.00 0.00 51.96 52.79 2h6u s ALA 38 Cb 0.41 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 20.33 2h6u s ALA 38 CO 0.02 0.05 0.84 -1.58 0.00 0.00 0.00 175.76 175.09 2h6u s TRP 39 N -1.56 2.95 -0.13 0.00 0.52 -1.26 0.28 118.94 119.74 2h6u s TRP 39 Ca 0.51 0.18 -0.21 0.00 0.02 0.00 0.00 56.10 56.60 2h6u s TRP 39 Cb -0.21 -3.80 -0.03 0.00 -1.15 0.00 0.00 33.47 28.27 2h6u s TRP 39 CO 0.27 -1.07 0.60 -0.80 0.02 0.00 0.00 176.95 175.97 2h6u s ASN 40 N 2.28 6.77 0.20 2.95 0.01 -0.37 -4.87 114.94 121.92 2h6u s ASN 40 Ca 0.31 0.93 -0.31 0.00 -0.71 0.00 0.00 52.86 53.09 2h6u s ASN 40 Cb -0.12 -2.35 -0.09 0.00 0.41 0.00 0.00 41.25 39.10 2h6u s ASN 40 CO 0.23 -0.13 1.43 -0.63 -1.51 0.00 0.00 177.10 176.48 2h6u s ILE 41 N 1.14 2.88 -0.21 0.60 1.01 -1.26 -1.11 121.20 124.24 2h6u s ILE 41 Ca 0.30 0.69 -0.08 0.00 0.00 0.00 0.00 60.65 61.57 2h6u s ILE 41 Cb -0.16 -3.44 -0.10 0.00 0.01 0.00 0.00 42.46 38.76 2h6u s ILE 41 CO 0.13 0.09 -0.26 0.18 0.00 0.00 0.00 174.94 175.08 2h6u n LEU 42 N 2.99 1.85 -3.74 2.97 4.32 0.47 -4.92 117.00 120.94 2h6u n LEU 42 Ca 0.09 0.18 -0.13 0.00 -0.02 0.00 0.00 56.01 56.13 2h6u n LEU 42 Cb 0.41 -0.65 -0.10 0.00 -1.62 0.00 0.00 43.42 41.45 2h6u n LEU 42 CO 0.60 0.54 0.06 0.28 -1.22 0.00 0.00 177.39 177.64 2h6u s THR 43 N -2.40 0.01 -0.14 -5.08 -1.32 -1.15 -5.01 115.64 100.55 2h6u s THR 43 Ca -0.30 -0.08 0.02 0.00 -1.21 0.00 0.00 61.69 60.13 2h6u s THR 43 Cb 0.11 -0.56 0.01 0.00 -1.51 0.00 0.00 72.50 70.54 2h6u s THR 43 CO 0.40 -0.04 -0.21 0.42 -2.21 0.00 0.00 174.62 172.98 2h6u s THR 44 N -0.07 2.21 0.35 5.08 -4.23 -1.26 -1.02 115.64 116.70 2h6u s THR 44 Ca -0.02 -0.93 0.07 0.00 -1.18 0.00 0.00 61.69 59.62 2h6u s THR 44 Cb -0.03 -1.89 -0.03 0.00 1.34 0.00 0.00 72.50 71.89 2h6u s THR 44 CO 0.01 0.54 0.25 0.61 -0.54 0.00 0.00 174.62 175.50 2h6u n GLY 45 N 4.00 2.98 2.94 3.99 0.00 0.10 -5.02 105.19 114.18 2h6u n GLY 45 Ca -0.20 -1.95 -0.15 0.00 0.00 0.00 0.00 46.02 43.73 2h6u n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h6u s ILE 46 N -3.30 0.30 0.47 -0.61 1.01 -1.26 -1.37 121.20 116.44 2h6u s ILE 46 Ca 0.35 -0.19 -0.23 0.00 0.00 0.00 0.00 60.65 60.58 2h6u s ILE 46 Cb 0.02 -0.26 -0.07 0.00 0.01 0.00 0.00 42.46 42.15 2h6u s ILE 46 CO 0.25 0.07 1.21 0.42 0.00 0.00 0.00 174.94 176.89 2h6u s THR 47 N -0.13 2.88 0.00 2.92 -4.23 -0.12 -4.76 115.64 112.20 2h6u s THR 47 Ca 0.01 0.68 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 2h6u s THR 47 Cb -0.02 -3.35 0.00 0.00 1.34 0.00 0.00 72.50 70.47 2h6u s THR 47 CO -0.00 0.00 0.00 -0.46 -0.54 0.00 0.00 174.62 173.62 2h6u n ASN 48 N -0.51 0.00 0.24 3.99 0.23 0.33 -1.66 115.26 117.88 2h6u n ASN 48 Ca 0.07 -0.60 0.09 0.00 -0.53 0.00 0.00 54.58 53.62 2h6u n ASN 48 Cb 0.47 0.00 0.59 0.00 -2.08 0.00 0.00 39.78 38.76 2h6u n ASN 48 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2h6u h ASP 49 N 0.00 0.00 -0.36 0.53 3.32 -1.96 -1.65 116.42 116.30 2h6u h ASP 49 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2h6u h ASP 49 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2h6u h ASP 49 CO 0.00 0.19 0.00 -0.67 -1.72 0.00 0.00 179.24 177.04 2h6u n ASP 50 N -3.77 2.15 -0.06 6.45 2.03 -1.26 -4.68 116.55 117.41 2h6u n ASP 50 Ca -0.02 -1.94 -0.01 0.00 0.52 0.00 0.00 54.79 53.35 2h6u n ASP 50 Cb 0.30 -0.24 -0.00 0.00 -0.72 0.00 0.00 41.12 40.46 2h6u n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2h6u n GLY 51 N 1.17 0.46 3.90 0.27 0.00 -0.62 -4.78 105.19 105.59 2h6u n GLY 51 Ca 0.15 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 2h6u n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h6u s ARG 52 N -0.75 2.84 -0.44 1.61 0.52 -1.26 -0.91 118.95 120.55 2h6u s ARG 52 Ca 0.00 -1.22 0.05 0.00 -0.52 0.00 0.00 55.73 54.04 2h6u s ARG 52 Cb 0.00 -2.58 0.19 0.00 0.52 0.00 0.00 34.95 33.07 2h6u s ARG 52 CO 0.00 0.05 0.40 0.00 0.02 0.00 0.00 175.30 175.77 2h6u s PRO 54 N -0.37 2.37 0.00 0.00 0.04 -1.26 -4.09 135.00 131.69 2h6u s PRO 54 Ca 0.33 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.38 2h6u s PRO 54 Cb 0.06 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2h6u s PRO 54 CO -0.18 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 175.55 2h6u n GLY 55 N 0.83 0.64 0.24 0.56 0.00 -1.26 -4.97 105.19 101.23 2h6u n GLY 55 Ca 0.15 -0.75 -0.02 0.00 0.00 0.00 0.00 46.02 45.40 2h6u n GLY 55 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2h6u h LEU 56 N 0.00 0.43 -7.03 0.99 3.38 -1.78 -3.45 115.31 107.85 2h6u h LEU 56 Ca 0.00 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2h6u h LEU 56 Cb 0.64 -0.12 -0.15 0.00 0.09 0.00 0.00 40.66 41.12 2h6u h LEU 56 CO 0.00 0.67 0.18 -0.51 0.09 0.00 0.00 178.44 178.87 2h6u s ILE 57 N -4.51 0.00 0.33 1.22 2.07 -1.26 -4.65 121.20 114.39 2h6u s ILE 57 Ca -0.06 -0.04 -0.04 0.00 -1.41 0.00 0.00 60.65 59.10 2h6u s ILE 57 Cb 0.14 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.69 2h6u s ILE 57 CO 0.78 -0.02 0.58 0.42 -1.91 0.00 0.00 174.94 174.79 2h6u s THR 58 N -2.55 5.02 0.23 4.00 -4.23 -1.26 -4.24 115.64 112.61 2h6u s THR 58 Ca -0.05 -0.02 -0.06 0.00 -1.18 0.00 0.00 61.69 60.38 2h6u s THR 58 Cb -0.01 -3.77 0.19 0.00 1.34 0.00 0.00 72.50 70.25 2h6u s THR 58 CO -0.02 -0.43 1.82 0.50 -0.54 0.00 0.00 174.62 175.95 2h6u h LYS 59 N 1.32 0.79 -0.91 3.99 1.63 -1.95 -1.44 116.57 120.00 2h6u h LYS 59 Ca -0.48 -0.05 0.13 0.00 -0.85 0.00 0.00 60.65 59.41 2h6u h LYS 59 Cb 1.20 -0.18 -0.09 0.00 -0.60 0.00 0.00 32.23 32.56 2h6u h LYS 59 CO 0.65 0.52 0.52 1.49 -3.45 0.00 0.00 179.45 179.18 2h6u h GLU 60 N 0.82 0.76 -0.01 1.90 4.81 -2.00 -2.43 114.58 118.43 2h6u h GLU 60 Ca 0.36 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2h6u h GLU 60 Cb 0.25 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2h6u h GLU 60 CO -0.20 0.50 -0.31 -1.71 -0.73 0.00 0.00 179.01 176.56 2h6u n ASN 61 N -4.76 1.02 -4.47 1.04 5.15 -0.65 -4.68 115.26 107.91 2h6u n ASN 61 Ca 0.18 -0.85 -0.43 0.00 -0.60 0.00 0.00 54.58 52.88 2h6u n ASN 61 Cb 0.40 0.18 0.00 0.00 -0.53 0.00 0.00 39.78 39.83 2h6u n ASN 61 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2h6u n PHE 62 N -0.74 4.74 -3.39 1.20 7.35 -0.64 -4.93 117.46 121.06 2h6u n PHE 62 Ca 0.11 -3.12 -0.27 0.00 -0.76 0.00 0.00 57.45 53.41 2h6u n PHE 62 Cb 0.35 -2.38 -0.02 0.00 0.35 0.00 0.00 39.48 37.78 2h6u n PHE 62 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 2h6u s ILE 63 N 2.65 5.08 0.39 -2.13 -4.36 -1.26 -4.88 121.20 116.69 2h6u s ILE 63 Ca 0.47 -0.18 -0.25 0.00 -0.26 0.00 0.00 60.65 60.44 2h6u s ILE 63 Cb 0.01 -3.78 -0.11 0.00 1.25 0.00 0.00 42.46 39.83 2h6u s ILE 63 CO 0.03 -0.39 1.00 0.00 0.24 0.00 0.00 174.94 175.82 2h6u n ALA 64 N -1.20 0.07 0.00 2.27 0.00 -1.26 -4.91 120.51 115.48 2h6u n ALA 64 Ca -0.03 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2h6u n ALA 64 Cb 0.55 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.93 2h6u n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h6u n GLY 65 N 1.20 -1.64 3.56 0.00 0.00 -0.65 -5.01 105.19 102.65 2h6u n GLY 65 Ca 0.09 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 2h6u n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h6u s VAL 66 N -2.83 4.35 0.21 1.61 1.01 -1.26 -1.30 120.40 122.19 2h6u s VAL 66 Ca 0.00 -0.19 0.11 0.00 0.00 0.00 0.00 61.98 61.89 2h6u s VAL 66 Cb 0.00 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2h6u s VAL 66 CO 0.00 0.47 -0.17 -0.31 0.00 0.00 0.00 175.10 175.09 2h6u s TYR 67 N 0.43 2.44 -0.06 5.22 2.02 -0.40 -0.52 117.35 126.49 2h6u s TYR 67 Ca -0.00 -0.30 -0.00 0.00 -0.37 0.00 0.00 57.07 56.40 2h6u s TYR 67 Cb -0.13 -1.17 0.03 0.00 -0.40 0.00 0.00 41.96 40.28 2h6u s TYR 67 CO 0.02 0.55 -0.02 0.21 -1.57 0.00 0.00 175.55 174.74 2h6u s LYS 68 N -2.95 0.71 -0.24 -0.62 2.20 -0.19 -1.06 119.74 117.59 2h6u s LYS 68 Ca 0.25 0.01 -0.08 0.00 -0.36 0.00 0.00 55.97 55.79 2h6u s LYS 68 Cb -0.08 -0.92 -0.03 0.00 -1.51 0.00 0.00 37.83 35.29 2h6u s LYS 68 CO 0.13 -0.21 0.08 -1.64 -0.36 0.00 0.00 175.35 173.35 2h6u s MET 69 N 1.52 3.76 -0.16 4.03 -1.94 -0.06 -0.80 119.30 125.65 2h6u s MET 69 Ca -0.02 -0.43 -0.04 0.00 -1.71 0.00 0.00 55.69 53.50 2h6u s MET 69 Cb -0.13 -3.33 -0.02 0.00 2.01 0.00 0.00 34.83 33.36 2h6u s MET 69 CO -0.03 -0.07 -0.04 0.50 -0.01 0.00 0.00 175.02 175.36 2h6u s ARG 70 N 1.32 3.63 -0.16 2.03 3.52 0.30 -0.59 118.95 129.01 2h6u s ARG 70 Ca 0.05 -0.54 -0.00 0.00 -0.13 0.00 0.00 55.73 55.11 2h6u s ARG 70 Cb -0.15 -2.91 -0.01 0.00 -1.56 0.00 0.00 34.95 30.32 2h6u s ARG 70 CO 0.04 0.19 -0.13 -0.06 -0.81 0.00 0.00 175.30 174.53 2h6u s PHE 71 N 0.48 2.82 -1.31 5.12 0.08 0.19 -1.10 117.98 124.26 2h6u s PHE 71 Ca -0.04 -0.90 -0.13 0.00 0.12 0.00 0.00 56.93 55.98 2h6u s PHE 71 Cb -0.14 -1.90 0.12 0.00 -0.57 0.00 0.00 43.02 40.53 2h6u s PHE 71 CO 0.03 -0.40 1.84 0.39 -0.10 0.00 0.00 175.22 176.98 2h6u n GLU 72 N 3.99 3.32 -0.13 0.44 -0.58 -0.06 -1.60 120.64 126.03 2h6u n GLU 72 Ca -0.19 -3.35 -0.12 0.00 -0.42 0.00 0.00 57.16 53.09 2h6u n GLU 72 Cb 0.52 -3.12 -0.02 0.00 -0.57 0.00 0.00 31.44 28.25 2h6u n GLU 72 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 2h6u h THR 73 N 4.27 1.28 0.20 2.62 1.35 -1.82 -2.00 112.91 118.80 2h6u h THR 73 Ca 0.43 -1.39 0.01 0.00 -0.55 0.00 0.00 66.41 64.91 2h6u h THR 73 Cb 0.72 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 68.42 2h6u h THR 73 CO 1.58 0.46 -0.25 1.23 -0.25 0.00 0.00 175.52 178.30 2h6u h GLY 74 N 0.68 -0.51 0.94 5.82 0.00 -1.01 -0.67 103.07 108.32 2h6u h GLY 74 Ca 0.08 0.28 0.03 0.00 0.00 0.00 0.00 47.33 47.73 2h6u h GLY 74 CO 0.07 -0.22 0.64 0.50 0.00 0.00 0.00 176.54 177.53 2h6u h LYS 75 N -0.49 1.21 -0.01 4.80 1.57 -1.75 0.01 116.57 121.90 2h6u h LYS 75 Ca 0.01 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2h6u h LYS 75 Cb 0.48 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 2h6u h LYS 75 CO -0.09 0.80 -0.12 -0.92 -0.57 0.00 0.00 179.45 178.56 2h6u h TYR 76 N 1.25 -0.30 -0.31 -1.35 3.20 -0.96 -1.52 116.97 116.98 2h6u h TYR 76 Ca 0.38 0.01 -0.18 0.00 3.14 0.00 0.00 58.73 62.08 2h6u h TYR 76 Cb -0.02 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 2h6u h TYR 76 CO -0.00 -0.18 -0.51 -1.49 -1.64 0.00 0.00 178.16 174.34 2h6u h TRP 77 N -0.20 1.11 -0.40 -3.82 4.06 -0.80 -2.86 115.95 113.03 2h6u h TRP 77 Ca 0.05 -0.38 0.08 0.00 2.06 0.00 0.00 58.89 60.69 2h6u h TRP 77 Cb 0.26 -0.21 -0.08 0.00 -1.00 0.00 0.00 29.16 28.13 2h6u h TRP 77 CO -0.18 1.22 -0.09 0.22 -3.56 0.00 0.00 178.44 176.04 2h6u h ASP 78 N 0.68 -0.36 -0.27 -3.49 3.58 -0.84 0.18 116.42 115.90 2h6u h ASP 78 Ca 0.02 0.12 0.08 0.00 0.42 0.00 0.00 57.03 57.67 2h6u h ASP 78 Cb 1.12 0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.40 2h6u h ASP 78 CO 0.12 -0.13 0.26 0.00 -2.88 0.00 0.00 179.24 176.61 2h6u h ALA 79 N 1.40 2.00 -0.11 -0.78 0.00 -1.13 -0.01 119.26 120.63 2h6u h ALA 79 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2h6u h ALA 79 Cb 0.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2h6u h ALA 79 CO -0.41 -0.40 0.00 1.28 0.00 0.00 0.00 179.25 179.72 2h6u n LEU 80 N -3.95 2.29 0.00 0.00 4.77 0.54 -4.95 117.00 115.70 2h6u n LEU 80 Ca 0.04 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 2h6u n LEU 80 Cb 0.41 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2h6u n LEU 80 CO 0.30 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 2h6u n GLY 81 N 1.27 0.75 3.28 -0.72 0.00 -0.02 -5.07 105.19 104.69 2h6u n GLY 81 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 2h6u n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h6u s GLU 82 N -0.50 1.15 0.46 1.61 2.02 -0.80 -5.00 118.70 117.65 2h6u s GLU 82 Ca 0.00 -1.45 -0.18 0.00 0.02 0.00 0.00 54.97 53.35 2h6u s GLU 82 Cb 0.00 -0.88 -0.09 0.00 0.10 0.00 0.00 34.13 33.26 2h6u s GLU 82 CO 0.00 0.14 0.95 -0.08 0.02 0.00 0.00 175.26 176.29 2h6u s THR 83 N -2.91 4.48 -0.01 3.63 -1.32 -1.26 -2.85 115.64 115.40 2h6u s THR 83 Ca 0.17 1.31 0.08 0.00 -1.21 0.00 0.00 61.69 62.04 2h6u s THR 83 Cb -0.00 -3.66 -0.02 0.00 -1.51 0.00 0.00 72.50 67.31 2h6u s THR 83 CO 0.03 -0.48 -0.26 0.00 -2.21 0.00 0.00 174.62 171.70 2h6u h PHE 85 N 5.36 0.00 -3.62 0.00 3.57 -1.51 -3.41 116.94 117.32 2h6u h PHE 85 Ca -0.43 0.00 -0.67 0.00 3.53 0.00 0.00 57.97 60.39 2h6u h PHE 85 Cb 1.13 0.00 -0.24 0.00 2.79 0.00 0.00 35.95 39.62 2h6u h PHE 85 CO 0.41 0.35 -0.60 0.71 -2.23 0.00 0.00 178.31 176.94 2h6u s TYR 86 N -4.14 3.14 0.29 0.41 2.02 -1.26 -4.97 117.35 112.85 2h6u s TYR 86 Ca -0.03 -0.73 0.06 0.00 -0.37 0.00 0.00 57.07 56.01 2h6u s TYR 86 Cb 0.14 -2.29 0.44 0.00 -0.40 0.00 0.00 41.96 39.85 2h6u s TYR 86 CO 0.71 -0.49 1.69 -1.00 -1.57 0.00 0.00 175.55 174.88 2h6u h PRO 87 N 8.28 0.24 -3.36 -1.71 0.13 -1.95 -3.11 132.00 130.51 2h6u h PRO 87 Ca -0.33 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2h6u h PRO 87 Cb 1.14 -0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.19 2h6u h PRO 87 CO 0.60 0.63 0.02 1.52 -0.23 0.00 0.00 178.00 180.54 2h6u s TYR 88 N -4.11 0.05 -0.06 1.56 1.13 -1.26 -1.03 117.35 113.63 2h6u s TYR 88 Ca -0.04 -0.43 0.02 0.00 -1.41 0.00 0.00 57.07 55.21 2h6u s TYR 88 Cb 0.13 0.39 0.01 0.00 -1.10 0.00 0.00 41.96 41.40 2h6u s TYR 88 CO 0.77 -1.02 -0.11 0.08 -2.51 0.00 0.00 175.55 172.76 2h6u s VAL 89 N -3.94 1.04 -0.12 -3.49 1.01 -0.63 -4.89 120.40 109.38 2h6u s VAL 89 Ca 0.15 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.70 2h6u s VAL 89 Cb -0.02 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 2h6u s VAL 89 CO 0.04 0.33 -0.17 -1.61 0.00 0.00 0.00 175.10 173.69 2h6u s GLU 90 N 0.62 3.26 -0.21 2.72 2.02 -1.26 -0.64 118.70 125.22 2h6u s GLU 90 Ca -0.13 -0.75 -0.03 0.00 0.02 0.00 0.00 54.97 54.08 2h6u s GLU 90 Cb -0.15 -2.53 -0.01 0.00 0.10 0.00 0.00 34.13 31.55 2h6u s GLU 90 CO 0.03 0.18 -0.06 0.42 0.02 0.00 0.00 175.26 175.86 2h6u s ILE 91 N 0.39 3.30 -0.14 -1.63 1.01 0.24 -4.96 121.20 119.41 2h6u s ILE 91 Ca -0.13 -0.52 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 2h6u s ILE 91 Cb -0.17 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 2h6u s ILE 91 CO 0.06 0.44 -0.06 -0.69 0.00 0.00 0.00 174.94 174.69 2h6u s VAL 92 N 1.34 3.66 0.04 2.92 1.01 -1.26 -0.88 120.40 127.24 2h6u s VAL 92 Ca 0.04 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 2h6u s VAL 92 Cb -0.14 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.68 2h6u s VAL 92 CO -0.03 0.52 0.26 0.72 0.00 0.00 0.00 175.10 176.56 2h6u s PHE 93 N 0.18 -0.04 -0.23 5.22 -0.71 -0.23 -4.99 117.98 117.18 2h6u s PHE 93 Ca -0.03 -0.12 -0.08 0.00 -1.04 0.00 0.00 56.93 55.65 2h6u s PHE 93 Cb -0.14 0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.67 2h6u s PHE 93 CO 0.03 -0.47 0.10 0.99 -1.34 0.00 0.00 175.22 174.54 2h6u s THR 94 N -2.49 4.76 -0.26 -4.49 2.01 -1.26 -1.27 115.64 112.64 2h6u s THR 94 Ca -0.06 -0.03 -0.10 0.00 0.31 0.00 0.00 61.69 61.82 2h6u s THR 94 Cb -0.01 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 2h6u s THR 94 CO -0.03 0.36 0.15 -0.63 -0.69 0.00 0.00 174.62 173.78 2h6u s ILE 95 N 1.18 5.11 -0.07 1.82 -1.09 -0.42 -4.95 121.20 122.78 2h6u s ILE 95 Ca 0.05 0.10 -0.03 0.00 -2.23 0.00 0.00 60.65 58.54 2h6u s ILE 95 Cb -0.14 -3.41 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 2h6u s ILE 95 CO 0.04 0.30 -0.09 0.35 -1.23 0.00 0.00 174.94 174.32 2h6u n THR 96 N 4.73 0.37 -2.92 2.92 -2.24 -1.26 -1.64 114.28 114.25 2h6u n THR 96 Ca -0.15 -0.10 -0.43 0.00 -2.27 0.00 0.00 64.05 61.10 2h6u n THR 96 Cb 0.52 -1.55 -0.04 0.00 -2.10 0.00 0.00 70.33 67.16 2h6u n THR 96 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2h6u s ASN 97 N -5.56 6.24 0.00 3.42 3.84 -1.26 -4.74 114.94 116.88 2h6u s ASN 97 Ca -0.09 -1.23 0.11 0.00 0.21 0.00 0.00 52.86 51.86 2h6u s ASN 97 Cb 0.04 -2.39 0.67 0.00 -0.55 0.00 0.00 41.25 39.01 2h6u s ASN 97 CO 0.12 -1.32 1.43 1.07 -2.79 0.00 0.00 177.10 175.60 2h6u n THR 98 N 5.79 0.00 1.21 -5.21 5.66 -1.26 -3.07 114.28 117.40 2h6u n THR 98 Ca -0.01 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.12 2h6u n THR 98 Cb 0.45 -0.18 0.33 0.00 -1.55 0.00 0.00 70.33 69.38 2h6u n THR 98 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2h6u n SER 99 N -0.68 1.16 -4.90 1.09 3.41 -1.26 -4.92 113.62 107.51 2h6u n SER 99 Ca 0.08 -0.97 -0.25 0.00 -0.26 0.00 0.00 58.87 57.47 2h6u n SER 99 Cb 0.04 0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 64.14 2h6u n SER 99 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2h6u s GLN 100 N -2.50 3.27 0.14 4.33 -0.21 -1.17 -5.10 119.66 118.42 2h6u s GLN 100 Ca 0.24 -0.72 -0.22 0.00 0.02 0.00 0.00 55.36 54.67 2h6u s GLN 100 Cb 0.19 -2.85 -0.08 0.00 1.00 0.00 0.00 33.01 31.28 2h6u s GLN 100 CO 0.53 0.49 0.70 -1.58 -2.12 0.00 0.00 175.29 173.30 2h6u s HIS 101 N -1.80 3.83 -0.16 0.91 5.65 -1.26 -4.94 115.29 117.52 2h6u s HIS 101 Ca 0.33 1.47 0.01 0.00 0.25 0.00 0.00 55.06 57.12 2h6u s HIS 101 Cb -0.10 -2.65 0.02 0.00 -1.18 0.00 0.00 32.58 28.67 2h6u s HIS 101 CO 0.27 0.51 -0.16 0.71 -0.65 0.00 0.00 174.74 175.42 2h6u s TYR 102 N -1.19 2.40 -0.20 3.88 2.02 -0.05 -4.32 117.35 119.89 2h6u s TYR 102 Ca 0.34 -1.39 -0.04 0.00 -0.37 0.00 0.00 57.07 55.62 2h6u s TYR 102 Cb -0.21 -1.71 -0.02 0.00 -0.40 0.00 0.00 41.96 39.62 2h6u s TYR 102 CO 0.23 -0.72 -0.03 -1.58 -1.57 0.00 0.00 175.55 171.87 2h6u s HIS 103 N 1.41 2.98 -0.57 2.71 5.65 -0.23 -1.12 115.29 126.11 2h6u s HIS 103 Ca 0.05 -0.66 0.04 0.00 0.25 0.00 0.00 55.06 54.74 2h6u s HIS 103 Cb -0.13 -2.06 0.16 0.00 -1.18 0.00 0.00 32.58 29.38 2h6u s HIS 103 CO -0.11 -0.35 0.40 0.08 -0.65 0.00 0.00 174.74 174.11 2h6u s VAL 104 N 1.08 1.93 0.64 0.89 1.01 -0.01 -0.86 120.40 125.09 2h6u s VAL 104 Ca 0.01 -3.52 -0.06 0.00 0.00 0.00 0.00 61.98 58.42 2h6u s VAL 104 Cb -0.15 -2.29 0.04 0.00 0.00 0.00 0.00 36.38 33.98 2h6u s VAL 104 CO 0.00 -1.05 0.94 -2.16 0.00 0.00 0.00 175.10 172.84 2h6u s PRO 105 N -0.70 2.53 -0.08 2.72 0.04 -1.26 -4.32 135.00 133.92 2h6u s PRO 105 Ca 0.26 -0.20 -0.01 0.00 0.04 0.00 0.00 61.00 61.09 2h6u s PRO 105 Cb -0.06 -2.24 0.03 0.00 0.04 0.00 0.00 34.50 32.26 2h6u s PRO 105 CO -0.14 -0.96 -0.02 -1.17 0.04 0.00 0.00 177.00 174.74 2h6u s LEU 106 N -5.09 0.81 -0.33 -3.56 2.96 0.18 -4.39 118.68 109.25 2h6u s LEU 106 Ca 0.57 -0.15 -0.13 0.00 -0.22 0.00 0.00 54.13 54.21 2h6u s LEU 106 Cb -0.11 -0.56 -0.02 0.00 0.50 0.00 0.00 46.19 46.01 2h6u s LEU 106 CO 0.44 -0.16 0.23 -0.76 -1.32 0.00 0.00 176.35 174.79 2h6u s LEU 107 N 1.81 4.46 -0.03 -0.68 1.02 -0.02 -1.43 118.68 123.81 2h6u s LEU 107 Ca 0.04 -0.38 0.03 0.00 0.02 0.00 0.00 54.13 53.84 2h6u s LEU 107 Cb -0.12 -2.13 0.00 0.00 0.02 0.00 0.00 46.19 43.95 2h6u s LEU 107 CO -0.06 -0.22 -0.12 -0.22 0.02 0.00 0.00 176.35 175.76 2h6u s LEU 108 N 1.72 1.83 0.00 1.79 2.96 0.04 -1.10 118.68 125.92 2h6u s LEU 108 Ca 0.06 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 2h6u s LEU 108 Cb -0.17 -0.71 -0.00 0.00 0.50 0.00 0.00 46.19 45.81 2h6u s LEU 108 CO 0.10 0.10 0.00 -1.54 -1.32 0.00 0.00 176.35 173.69 2h6u n SER 109 N 3.25 2.12 0.25 3.68 3.41 -0.27 -1.50 113.62 124.56 2h6u n SER 109 Ca -0.18 -1.47 0.12 0.00 -0.26 0.00 0.00 58.87 57.08 2h6u n SER 109 Cb 0.54 0.09 0.62 0.00 -0.26 0.00 0.00 64.21 65.20 2h6u n SER 109 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2h6u h ARG 110 N 0.00 0.00 0.00 4.33 3.08 -2.01 -3.32 114.38 116.47 2h6u h ARG 110 Ca -0.09 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 2h6u h ARG 110 Cb 0.27 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.20 2h6u h ARG 110 CO 0.14 0.16 -0.56 1.19 -1.07 0.00 0.00 179.97 179.83 2h6u n PHE 111 N -3.46 0.00 -3.53 3.04 3.72 -1.26 -1.22 117.46 114.75 2h6u n PHE 111 Ca -0.01 -0.61 -0.08 0.00 -0.05 0.00 0.00 57.45 56.71 2h6u n PHE 111 Cb 0.32 -0.13 -0.02 0.00 -0.94 0.00 0.00 39.48 38.71 2h6u n PHE 111 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2h6u s SER 112 N -2.06 -0.31 0.15 4.37 1.04 -1.25 -5.05 113.70 110.58 2h6u s SER 112 Ca 0.23 0.02 -0.19 0.00 0.48 0.00 0.00 55.95 56.49 2h6u s SER 112 Cb 0.24 0.33 0.05 0.00 0.10 0.00 0.00 66.02 66.73 2h6u s SER 112 CO -0.06 -0.52 0.50 -0.72 0.98 0.00 0.00 173.24 173.43 2h6u s TYR 113 N -2.84 -0.35 0.09 5.02 1.13 -1.26 -1.11 117.35 118.03 2h6u s TYR 113 Ca 0.06 0.08 -0.10 0.00 -1.41 0.00 0.00 57.07 55.70 2h6u s TYR 113 Cb -0.01 0.41 0.00 0.00 -1.10 0.00 0.00 41.96 41.26 2h6u s TYR 113 CO -0.07 -0.79 0.23 -1.54 -2.51 0.00 0.00 175.55 170.86 2h6u s SER 114 N -2.78 0.06 0.15 -0.18 1.04 -0.26 -4.98 113.70 106.75 2h6u s SER 114 Ca 0.03 -0.58 -0.08 0.00 0.48 0.00 0.00 55.95 55.80 2h6u s SER 114 Cb 0.00 0.36 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 2h6u s SER 114 CO -0.12 -0.74 0.23 0.28 0.98 0.00 0.00 173.24 173.87 2h6u s THR 115 N -3.80 0.08 0.17 2.02 -1.32 -1.26 -0.84 115.64 110.69 2h6u s THR 115 Ca 0.04 -1.44 -0.16 0.00 -1.21 0.00 0.00 61.69 58.92 2h6u s THR 115 Cb 0.04 -1.79 0.02 0.00 -1.51 0.00 0.00 72.50 69.26 2h6u s THR 115 CO -0.11 -0.38 0.45 -0.72 -2.21 0.00 0.00 174.62 171.65 2h6u s TYR 116 N -3.96 -0.05 -0.20 9.09 1.13 -1.26 -5.07 117.35 117.02 2h6u s TYR 116 Ca 0.16 -0.29 -0.20 0.00 -1.41 0.00 0.00 57.07 55.34 2h6u s TYR 116 Cb 0.04 0.29 -0.03 0.00 -1.10 0.00 0.00 41.96 41.16 2h6u s TYR 116 CO -0.01 -0.83 0.57 0.50 -2.51 0.00 0.00 175.55 173.27 2h6u s ARG 117 N -3.87 4.19 0.53 -3.49 3.52 -1.26 -4.22 118.95 114.35 2h6u s ARG 117 Ca 0.09 0.51 0.02 0.00 -0.13 0.00 0.00 55.73 56.22 2h6u s ARG 117 Cb 0.00 -3.58 0.01 0.00 -1.56 0.00 0.00 34.95 29.83 2h6u s ARG 117 CO -0.05 -0.21 0.16 0.20 -0.81 0.00 0.00 175.30 174.59 2h6u s GLY 118 N 1.20 2.81 0.00 8.12 0.00 -0.03 -4.96 107.32 114.46 2h6u s GLY 118 Ca 0.26 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.37 2h6u s GLY 118 CO 0.10 -2.11 0.23 -1.26 0.00 0.00 0.00 173.10 170.06