#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 7.23 0.04 -1.43 0.15 -1.26 -4.78 113.70 113.65 2h6u s SER 7 Ca 0.00 2.18 0.21 0.00 0.70 0.00 0.00 55.95 59.04 2h6u s SER 7 Cb 0.00 -2.61 0.86 0.00 -1.71 0.00 0.00 66.02 62.56 2h6u s SER 7 CO 0.00 -0.22 1.66 -0.81 1.20 0.00 0.00 173.24 175.07 2h6u n PRO 8 N 1.97 0.04 -4.42 5.44 -0.04 -1.26 -4.53 135.00 132.20 2h6u n PRO 8 Ca 0.02 0.19 -0.33 0.00 -0.04 0.00 0.00 63.50 63.34 2h6u n PRO 8 Cb 0.45 -1.56 -0.16 0.00 -0.04 0.00 0.00 33.50 32.19 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 -3.28 2.38 0.26 1.53 2.96 -1.26 -0.63 118.68 120.64 2h6u s LEU 9 Ca 0.09 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 2h6u s LEU 9 Cb 0.13 -1.54 -0.06 0.00 0.50 0.00 0.00 46.19 45.22 2h6u s LEU 9 CO 0.38 0.06 -0.01 -0.94 -1.32 0.00 0.00 176.35 174.52 2h6u s SER 10 N 0.97 2.18 0.29 3.68 1.04 -0.20 -4.50 113.70 117.16 2h6u s SER 10 Ca -0.03 -1.24 0.04 0.00 0.48 0.00 0.00 55.95 55.20 2h6u s SER 10 Cb -0.15 -0.06 -0.03 0.00 0.10 0.00 0.00 66.02 65.89 2h6u s SER 10 CO -0.03 -0.48 0.26 0.28 0.98 0.00 0.00 173.24 174.24 2h6u s THR 11 N -3.29 0.00 -0.30 2.02 -1.32 -1.26 -0.73 115.64 110.77 2h6u s THR 11 Ca 0.30 -1.95 -0.13 0.00 -1.21 0.00 0.00 61.69 58.70 2h6u s THR 11 Cb 0.06 -2.51 0.15 0.00 -1.51 0.00 0.00 72.50 68.69 2h6u s THR 11 CO 0.11 0.00 0.84 -2.28 -2.21 0.00 0.00 174.62 171.08 2h6u s HIS 12 N -3.62 -0.96 -0.19 9.09 2.46 -1.26 -4.23 115.29 116.58 2h6u s HIS 12 Ca 0.39 1.68 -0.06 0.00 0.47 0.00 0.00 55.06 57.54 2h6u s HIS 12 Cb 0.03 0.58 -0.03 0.00 -0.13 0.00 0.00 32.58 33.03 2h6u s HIS 12 CO 0.22 -0.48 0.02 0.08 -2.47 0.00 0.00 174.74 172.11 2h6u s VAL 13 N 2.61 4.24 -0.09 0.89 1.01 0.32 -0.81 120.40 128.57 2h6u s VAL 13 Ca -0.04 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.74 2h6u s VAL 13 Cb -0.08 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.40 2h6u s VAL 13 CO -0.18 0.45 -0.15 -0.76 0.00 0.00 0.00 175.10 174.45 2h6u s LEU 14 N 0.70 1.73 -0.76 3.92 1.43 -0.29 -0.61 118.68 124.79 2h6u s LEU 14 Ca 0.01 -0.40 -0.22 0.00 -1.03 0.00 0.00 54.13 52.49 2h6u s LEU 14 Cb -0.14 -1.04 0.08 0.00 0.03 0.00 0.00 46.19 45.12 2h6u s LEU 14 CO 0.02 0.04 1.07 0.21 0.23 0.00 0.00 176.35 177.91 2h6u s ASN 15 N 0.82 6.31 0.00 2.29 3.84 0.25 -0.74 114.94 127.72 2h6u s ASN 15 Ca -0.10 -1.25 0.30 0.00 0.21 0.00 0.00 52.86 52.01 2h6u s ASN 15 Cb -0.16 -2.44 1.36 0.00 -0.55 0.00 0.00 41.25 39.47 2h6u s ASN 15 CO 0.01 -1.38 1.97 2.30 -2.79 0.00 0.00 177.10 177.21 2h6u n ILE 16 N 5.93 0.00 0.09 -5.21 -5.35 -0.09 -1.01 119.36 113.71 2h6u n ILE 16 Ca 0.07 -0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.39 2h6u n ILE 16 Cb 0.47 -0.45 -0.09 0.00 -1.74 0.00 0.00 39.64 37.83 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 3.26 0.21 0.00 -1.28 0.00 -1.90 -3.37 119.26 116.18 2h6u h ALA 17 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2h6u h ALA 17 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2h6u h ALA 17 CO 0.00 0.86 -0.54 1.04 0.00 0.00 0.00 179.25 180.61 2h6u n GLN 18 N -3.66 3.57 -2.04 0.00 6.02 -1.17 -5.02 117.38 115.08 2h6u n GLN 18 Ca -0.08 -0.01 -0.06 0.00 -0.01 0.00 0.00 57.00 56.84 2h6u n GLN 18 Cb 0.93 -0.97 -0.00 0.00 1.02 0.00 0.00 30.24 31.22 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 1.29 0.18 3.31 1.08 0.00 -0.18 -5.04 105.19 105.83 2h6u n GLY 19 Ca 0.01 -0.65 -0.17 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.29 1.40 0.66 1.61 -7.23 -1.11 -5.01 120.40 108.44 2h6u s VAL 20 Ca 0.00 -2.12 -0.18 0.00 -1.81 0.00 0.00 61.98 57.87 2h6u s VAL 20 Cb 0.00 -2.03 -0.00 0.00 0.56 0.00 0.00 36.38 34.90 2h6u s VAL 20 CO 0.00 -0.60 1.26 -2.65 -0.31 0.00 0.00 175.10 172.79 2h6u n PRO 21 N -0.32 1.00 -2.86 4.82 -0.02 -1.26 -0.58 135.00 135.78 2h6u n PRO 21 Ca -0.08 0.40 -0.43 0.00 -2.02 0.00 0.00 63.50 61.36 2h6u n PRO 21 Cb 0.61 -2.49 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 2h6u n PRO 21 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2h6u s GLY 22 N -1.44 1.99 0.29 -1.23 0.00 0.22 -4.50 107.32 102.64 2h6u s GLY 22 Ca 0.81 -2.93 -0.19 0.00 0.00 0.00 0.00 44.72 42.41 2h6u s GLY 22 CO 0.42 2.17 0.79 0.00 0.00 0.00 0.00 173.10 176.48 2h6u s ALA 23 N 2.72 3.32 -1.12 3.20 0.00 -1.26 -4.14 121.76 124.48 2h6u s ALA 23 Ca 0.40 0.21 -0.02 0.00 0.00 0.00 0.00 51.96 52.55 2h6u s ALA 23 Cb -0.03 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.20 2h6u s ALA 23 CO -0.05 0.28 0.24 0.09 0.00 0.00 0.00 175.76 176.33 2h6u n ASN 24 N 0.24 -4.52 -4.73 0.00 5.03 -0.12 -4.95 115.26 106.21 2h6u n ASN 24 Ca 0.01 -0.12 -0.36 0.00 0.87 0.00 0.00 54.58 54.98 2h6u n ASN 24 Cb 0.52 -3.51 -0.07 0.00 -1.02 0.00 0.00 39.78 35.70 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 -5.06 4.25 0.13 3.52 1.75 -1.26 -4.78 119.30 117.85 2h6u s MET 25 Ca 0.12 0.11 -0.30 0.00 -1.25 0.00 0.00 55.69 54.37 2h6u s MET 25 Cb -0.05 -3.42 -0.07 0.00 2.84 0.00 0.00 34.83 34.13 2h6u s MET 25 CO 0.15 0.25 1.12 0.99 -0.65 0.00 0.00 175.02 176.87 2h6u s THR 26 N 0.44 4.00 -0.05 10.11 2.01 -1.26 -1.08 115.64 129.81 2h6u s THR 26 Ca 0.17 1.61 0.03 0.00 0.31 0.00 0.00 61.69 63.81 2h6u s THR 26 Cb -0.13 -4.03 0.01 0.00 0.01 0.00 0.00 72.50 68.36 2h6u s THR 26 CO 0.04 0.22 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.42 2h6u s ILE 27 N 0.23 1.25 -0.12 1.82 1.01 -0.21 -1.10 121.20 124.08 2h6u s ILE 27 Ca 0.52 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.60 2h6u s ILE 27 Cb -0.29 -1.11 -0.01 0.00 0.01 0.00 0.00 42.46 41.06 2h6u s ILE 27 CO 0.33 0.37 -0.15 -0.69 0.00 0.00 0.00 174.94 174.80 2h6u s VAL 28 N 0.36 2.90 -0.17 2.92 1.01 -0.01 -1.01 120.40 126.41 2h6u s VAL 28 Ca -0.10 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 2h6u s VAL 28 Cb -0.14 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 2h6u s VAL 28 CO 0.03 0.54 0.01 -0.22 0.00 0.00 0.00 175.10 175.46 2h6u s LEU 29 N 0.25 3.54 0.24 3.92 2.96 0.01 -0.88 118.68 128.72 2h6u s LEU 29 Ca -0.10 -0.01 0.07 0.00 -0.22 0.00 0.00 54.13 53.87 2h6u s LEU 29 Cb -0.16 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 2h6u s LEU 29 CO 0.06 0.18 -0.10 -1.00 -1.32 0.00 0.00 176.35 174.16 2h6u s HIS 30 N 0.32 1.80 -0.02 5.38 3.76 0.16 -0.54 115.29 126.15 2h6u s HIS 30 Ca -0.00 -0.64 0.01 0.00 -0.15 0.00 0.00 55.06 54.28 2h6u s HIS 30 Cb -0.13 -0.92 0.01 0.00 1.11 0.00 0.00 32.58 32.64 2h6u s HIS 30 CO 0.01 0.31 -0.03 0.50 -0.85 0.00 0.00 174.74 174.69 2h6u s ARG 31 N -3.69 0.41 0.20 1.40 3.52 0.14 -1.16 118.95 119.78 2h6u s ARG 31 Ca 0.26 -0.07 -0.31 0.00 -0.13 0.00 0.00 55.73 55.48 2h6u s ARG 31 Cb 0.01 -0.46 -0.10 0.00 -1.56 0.00 0.00 34.95 32.84 2h6u s ARG 31 CO 0.09 -0.01 1.53 -1.17 -0.81 0.00 0.00 175.30 174.93 2h6u s LEU 32 N 0.43 4.37 -0.10 -0.88 2.96 0.27 -1.15 118.68 124.58 2h6u s LEU 32 Ca -0.04 2.66 -0.29 0.00 -0.22 0.00 0.00 54.13 56.23 2h6u s LEU 32 Cb -0.08 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 2h6u s LEU 32 CO -0.01 -0.79 1.47 -0.62 -1.32 0.00 0.00 176.35 175.08 2h6u s ASP 33 N 0.83 6.80 0.15 3.68 -1.08 0.84 -4.72 116.67 123.17 2h6u s ASP 33 Ca 0.66 1.98 0.22 0.00 -0.52 0.00 0.00 52.55 54.89 2h6u s ASP 33 Cb -0.43 -2.54 0.88 0.00 -1.46 0.00 0.00 42.92 39.37 2h6u s ASP 33 CO 0.37 -0.84 1.68 -0.81 0.52 0.00 0.00 175.17 176.08 2h6u n PRO 34 N 6.84 0.13 -0.08 4.34 -0.04 -1.26 -1.30 135.00 143.62 2h6u n PRO 34 Ca 0.16 0.29 -0.13 0.00 -0.04 0.00 0.00 63.50 63.77 2h6u n PRO 34 Cb 0.44 -1.71 -0.07 0.00 -0.04 0.00 0.00 33.50 32.11 2h6u n PRO 34 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2h6u h VAL 35 N 0.00 0.62 0.00 0.52 2.07 -1.96 -3.42 116.25 114.07 2h6u h VAL 35 Ca 0.00 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.83 2h6u h VAL 35 Cb 0.41 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2h6u h VAL 35 CO 0.00 0.21 -1.05 -1.54 0.02 0.00 0.00 177.57 175.21 2h6u n SER 36 N -4.54 0.83 -0.64 0.57 3.41 -1.24 -4.98 113.62 107.03 2h6u n SER 36 Ca -0.19 -0.79 -0.08 0.00 -0.26 0.00 0.00 58.87 57.55 2h6u n SER 36 Cb 0.46 1.15 -0.04 0.00 -0.26 0.00 0.00 64.21 65.52 2h6u n SER 36 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2h6u n SER 37 N -1.56 -4.42 -4.92 4.04 7.64 -0.42 -5.02 113.62 108.95 2h6u n SER 37 Ca 0.02 0.21 -0.27 0.00 1.01 0.00 0.00 58.87 59.84 2h6u n SER 37 Cb 0.33 -2.66 0.04 0.00 -1.01 0.00 0.00 64.21 60.91 2h6u n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2h6u s ALA 38 N -2.17 3.25 -0.13 -0.43 0.00 -1.26 -4.79 121.76 116.24 2h6u s ALA 38 Ca 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 2h6u s ALA 38 Cb 0.00 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 20.44 2h6u s ALA 38 CO 0.00 -0.90 0.21 -1.58 0.00 0.00 0.00 175.76 173.49 2h6u s TRP 39 N -3.05 3.54 -0.11 0.00 0.52 -1.26 -0.11 118.94 118.46 2h6u s TRP 39 Ca 0.55 0.56 -0.02 0.00 0.02 0.00 0.00 56.10 57.20 2h6u s TRP 39 Cb -0.11 -2.13 -0.03 0.00 -1.15 0.00 0.00 33.47 30.05 2h6u s TRP 39 CO 0.46 0.51 -0.02 -0.80 0.02 0.00 0.00 176.95 177.11 2h6u s ASN 40 N -0.37 5.02 -0.06 2.95 0.01 -0.30 -4.92 114.94 117.28 2h6u s ASN 40 Ca 0.15 0.02 -0.27 0.00 -0.71 0.00 0.00 52.86 52.05 2h6u s ASN 40 Cb -0.13 -1.56 -0.03 0.00 0.41 0.00 0.00 41.25 39.95 2h6u s ASN 40 CO 0.04 0.29 0.89 -0.63 -1.51 0.00 0.00 177.10 176.18 2h6u s ILE 41 N -0.37 4.91 -0.23 0.60 1.01 -1.26 -0.68 121.20 125.17 2h6u s ILE 41 Ca 0.07 1.83 -0.17 0.00 0.00 0.00 0.00 60.65 62.38 2h6u s ILE 41 Cb -0.12 -4.22 -0.14 0.00 0.01 0.00 0.00 42.46 37.99 2h6u s ILE 41 CO 0.02 0.14 -0.12 0.18 0.00 0.00 0.00 174.94 175.17 2h6u n LEU 42 N 4.21 1.91 -3.70 2.97 4.32 0.30 -4.95 117.00 122.05 2h6u n LEU 42 Ca 0.04 0.39 -0.03 0.00 -0.02 0.00 0.00 56.01 56.40 2h6u n LEU 42 Cb 0.50 -0.88 -0.01 0.00 -1.62 0.00 0.00 43.42 41.42 2h6u n LEU 42 CO 0.50 0.31 0.80 0.28 -1.22 0.00 0.00 177.39 178.06 2h6u s THR 43 N -2.46 0.00 0.15 -5.08 -1.32 -1.16 -5.02 115.64 100.75 2h6u s THR 43 Ca -0.32 -0.50 0.08 0.00 -1.21 0.00 0.00 61.69 59.73 2h6u s THR 43 Cb 0.09 -1.90 -0.04 0.00 -1.51 0.00 0.00 72.50 69.14 2h6u s THR 43 CO 0.50 0.00 -0.18 0.42 -2.21 0.00 0.00 174.62 173.15 2h6u s THR 44 N -3.06 1.74 0.14 5.08 -4.23 -1.26 -0.81 115.64 113.23 2h6u s THR 44 Ca 0.12 -1.81 -0.10 0.00 -1.18 0.00 0.00 61.69 58.73 2h6u s THR 44 Cb 0.00 -1.74 -0.00 0.00 1.34 0.00 0.00 72.50 72.10 2h6u s THR 44 CO -0.00 -0.27 0.27 -0.83 -0.54 0.00 0.00 174.62 173.25 2h6u s GLY 45 N -2.47 0.28 -0.10 3.99 0.00 -0.18 -5.01 107.32 103.84 2h6u s GLY 45 Ca 0.13 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.12 2h6u s GLY 45 CO 0.06 -0.78 -0.09 -0.42 0.00 0.00 0.00 173.10 171.87 2h6u s ILE 46 N -3.92 1.08 0.58 0.90 1.01 -1.26 -1.05 121.20 118.55 2h6u s ILE 46 Ca 0.12 -0.35 -0.20 0.00 0.00 0.00 0.00 60.65 60.22 2h6u s ILE 46 Cb 0.04 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 2h6u s ILE 46 CO -0.05 0.37 1.31 0.42 0.00 0.00 0.00 174.94 176.99 2h6u s THR 47 N 1.46 2.19 0.00 2.92 -4.23 -0.24 -4.85 115.64 112.89 2h6u s THR 47 Ca 0.01 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 2h6u s THR 47 Cb -0.13 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.65 2h6u s THR 47 CO -0.06 -0.01 0.00 -0.46 -0.54 0.00 0.00 174.62 173.55 2h6u n ASN 48 N -1.36 0.00 0.29 3.99 0.23 -0.10 -0.95 115.26 117.35 2h6u n ASN 48 Ca 0.12 -0.96 0.15 0.00 -0.53 0.00 0.00 54.58 53.37 2h6u n ASN 48 Cb 0.47 0.00 0.90 0.00 -2.08 0.00 0.00 39.78 39.06 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 -0.58 0.53 3.32 -1.94 -0.24 116.42 117.51 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 0.00 0.00 -0.67 -1.72 0.00 0.00 179.24 176.85 2h6u n ASP 50 N -3.87 3.30 -0.09 6.45 2.03 -1.26 -4.66 116.55 118.45 2h6u n ASP 50 Ca -0.02 -1.99 -0.01 0.00 0.52 0.00 0.00 54.79 53.29 2h6u n ASP 50 Cb 0.11 -0.38 -0.01 0.00 -0.72 0.00 0.00 41.12 40.12 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 1.49 0.49 3.87 0.27 0.00 -0.10 -4.77 105.19 106.44 2h6u n GLY 51 Ca 0.21 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.97 2.95 -0.43 1.61 0.52 -1.26 -0.52 118.95 120.84 2h6u s ARG 52 Ca 0.00 -1.09 0.04 0.00 -0.52 0.00 0.00 55.73 54.16 2h6u s ARG 52 Cb 0.00 -2.61 0.16 0.00 0.52 0.00 0.00 34.95 33.03 2h6u s ARG 52 CO 0.00 0.27 0.34 0.00 0.02 0.00 0.00 175.30 175.92 2h6u s PRO 54 N 0.04 2.67 -0.62 0.00 0.02 -1.26 -4.13 135.00 131.73 2h6u s PRO 54 Ca 0.30 1.78 -0.02 0.00 0.02 0.00 0.00 61.00 63.07 2h6u s PRO 54 Cb -0.01 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.61 2h6u s PRO 54 CO -0.16 -1.43 0.28 0.41 -0.33 0.00 0.00 177.00 175.77 2h6u n GLY 55 N 0.39 0.22 0.23 0.52 0.00 -1.26 -4.95 105.19 100.33 2h6u n GLY 55 Ca 0.13 -0.40 -0.02 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.64 0.37 -7.00 0.99 3.38 -1.79 -3.46 115.31 107.15 2h6u h LEU 56 Ca -0.22 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 2h6u h LEU 56 Cb 1.15 -0.10 -0.18 0.00 0.09 0.00 0.00 40.66 41.62 2h6u h LEU 56 CO 0.23 0.64 0.21 -0.51 0.09 0.00 0.00 178.44 179.10 2h6u s ILE 57 N -4.43 0.00 0.41 1.22 2.07 -1.26 -4.84 121.20 114.37 2h6u s ILE 57 Ca -0.06 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.16 2h6u s ILE 57 Cb 0.14 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.69 2h6u s ILE 57 CO 0.77 0.00 0.66 0.42 -1.91 0.00 0.00 174.94 174.89 2h6u s THR 58 N -1.65 5.01 0.37 4.00 -4.23 -1.26 -4.18 115.64 113.70 2h6u s THR 58 Ca -0.09 -0.14 0.06 0.00 -1.18 0.00 0.00 61.69 60.34 2h6u s THR 58 Cb -0.00 -3.86 0.29 0.00 1.34 0.00 0.00 72.50 70.27 2h6u s THR 58 CO 0.06 -0.70 1.96 0.50 -0.54 0.00 0.00 174.62 175.90 2h6u h LYS 59 N 0.51 0.71 -0.58 3.99 1.63 -1.95 -1.89 116.57 118.99 2h6u h LYS 59 Ca -0.48 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.24 2h6u h LYS 59 Cb 1.21 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 32.66 2h6u h LYS 59 CO 0.61 0.47 0.24 1.49 -3.45 0.00 0.00 179.45 178.81 2h6u h GLU 60 N 0.73 0.85 -0.00 1.90 4.81 -2.01 -2.98 114.58 117.89 2h6u h GLU 60 Ca 0.30 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2h6u h GLU 60 Cb 0.26 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2h6u h GLU 60 CO -0.10 0.73 -0.20 -1.71 -0.73 0.00 0.00 179.01 176.99 2h6u n ASN 61 N -4.50 0.52 -4.23 1.04 5.15 -0.96 -4.62 115.26 107.67 2h6u n ASN 61 Ca 0.03 -0.43 -0.43 0.00 -0.60 0.00 0.00 54.58 53.15 2h6u n ASN 61 Cb 0.15 -0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.38 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 -1.08 4.17 -3.13 1.20 7.35 -0.75 -4.94 117.46 120.28 2h6u n PHE 62 Ca 0.11 -3.02 -0.24 0.00 -0.76 0.00 0.00 57.45 53.54 2h6u n PHE 62 Cb 0.31 -2.33 -0.00 0.00 0.35 0.00 0.00 39.48 37.81 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 2.34 4.65 0.49 -2.13 -4.36 -1.26 -4.82 121.20 116.11 2h6u s ILE 63 Ca 0.46 -0.39 -0.23 0.00 -0.26 0.00 0.00 60.65 60.23 2h6u s ILE 63 Cb 0.05 -3.71 -0.07 0.00 1.25 0.00 0.00 42.46 39.97 2h6u s ILE 63 CO 0.01 -0.51 1.24 0.00 0.24 0.00 0.00 174.94 175.91 2h6u n ALA 64 N -1.96 1.15 0.00 2.27 0.00 -1.26 -4.92 120.51 115.79 2h6u n ALA 64 Ca -0.02 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2h6u n ALA 64 Cb 0.57 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 0.89 -1.04 3.45 0.00 0.00 -0.65 -5.02 105.19 102.82 2h6u n GLY 65 Ca 0.09 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.00 3.65 0.24 1.61 1.01 -1.26 -1.33 120.40 121.32 2h6u s VAL 66 Ca 0.00 -0.44 0.10 0.00 0.00 0.00 0.00 61.98 61.64 2h6u s VAL 66 Cb 0.00 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 2h6u s VAL 66 CO 0.00 0.49 -0.12 -0.31 0.00 0.00 0.00 175.10 175.17 2h6u s TYR 67 N 0.45 2.50 -0.04 5.22 2.02 -0.12 -0.56 117.35 126.81 2h6u s TYR 67 Ca -0.05 -0.27 -0.00 0.00 -0.37 0.00 0.00 57.07 56.37 2h6u s TYR 67 Cb -0.15 -1.14 0.03 0.00 -0.40 0.00 0.00 41.96 40.30 2h6u s TYR 67 CO 0.03 0.62 0.01 0.21 -1.57 0.00 0.00 175.55 174.85 2h6u s LYS 68 N -3.33 0.34 -0.22 -0.62 2.20 -0.31 -1.38 119.74 116.43 2h6u s LYS 68 Ca 0.28 0.13 -0.05 0.00 -0.36 0.00 0.00 55.97 55.97 2h6u s LYS 68 Cb -0.07 -0.63 -0.02 0.00 -1.51 0.00 0.00 37.83 35.60 2h6u s LYS 68 CO 0.16 -0.21 -0.01 -1.64 -0.36 0.00 0.00 175.35 173.30 2h6u s MET 69 N 1.46 3.52 -0.29 4.03 -1.94 0.06 -0.67 119.30 125.47 2h6u s MET 69 Ca -0.03 -0.56 -0.08 0.00 -1.71 0.00 0.00 55.69 53.31 2h6u s MET 69 Cb -0.13 -3.09 -0.00 0.00 2.01 0.00 0.00 34.83 33.61 2h6u s MET 69 CO -0.03 -0.11 0.11 0.50 -0.01 0.00 0.00 175.02 175.48 2h6u s ARG 70 N 1.31 3.30 -0.23 2.03 3.52 -0.05 -0.43 118.95 128.39 2h6u s ARG 70 Ca 0.04 -0.73 -0.14 0.00 -0.13 0.00 0.00 55.73 54.78 2h6u s ARG 70 Cb -0.15 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.76 2h6u s ARG 70 CO 0.00 -0.38 0.31 -0.06 -0.81 0.00 0.00 175.30 174.35 2h6u s PHE 71 N 1.57 3.32 -1.37 5.12 0.08 0.15 -0.83 117.98 126.02 2h6u s PHE 71 Ca 0.04 0.42 -0.15 0.00 0.12 0.00 0.00 56.93 57.37 2h6u s PHE 71 Cb -0.17 -2.45 0.08 0.00 -0.57 0.00 0.00 43.02 39.91 2h6u s PHE 71 CO 0.04 -0.04 1.97 0.39 -0.10 0.00 0.00 175.22 177.49 2h6u n GLU 72 N 4.62 3.10 0.00 0.44 -0.58 -0.25 -1.12 120.64 126.85 2h6u n GLU 72 Ca -0.11 -3.03 -0.09 0.00 -0.42 0.00 0.00 57.16 53.51 2h6u n GLU 72 Cb 0.51 -3.29 0.06 0.00 -0.57 0.00 0.00 31.44 28.15 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 4.50 1.32 -0.42 2.62 1.35 -1.82 -1.92 112.91 118.54 2h6u h THR 73 Ca 0.49 -1.79 -0.03 0.00 -0.55 0.00 0.00 66.41 64.53 2h6u h THR 73 Cb 0.73 1.77 -0.02 0.00 -1.73 0.00 0.00 68.15 68.90 2h6u h THR 73 CO 1.67 0.56 0.15 1.23 -0.25 0.00 0.00 175.52 178.88 2h6u h GLY 74 N 1.06 0.69 0.95 5.82 0.00 -1.10 -1.60 103.07 108.90 2h6u h GLY 74 Ca 0.01 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 2h6u h GLY 74 CO 0.10 0.37 0.05 0.50 0.00 0.00 0.00 176.54 177.56 2h6u h LYS 75 N 0.53 0.72 -0.29 4.80 1.57 -1.72 -0.81 116.57 121.37 2h6u h LYS 75 Ca 0.14 -0.21 0.06 0.00 -1.87 0.00 0.00 60.65 58.78 2h6u h LYS 75 Cb 0.23 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 2h6u h LYS 75 CO -0.01 0.77 -0.12 -0.92 -0.57 0.00 0.00 179.45 178.60 2h6u h TYR 76 N 0.57 -0.29 -0.19 -1.35 3.20 -1.17 -2.14 116.97 115.59 2h6u h TYR 76 Ca 0.13 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.92 2h6u h TYR 76 Cb 0.41 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 2h6u h TYR 76 CO 0.03 -0.19 -0.36 -1.49 -1.64 0.00 0.00 178.16 174.51 2h6u h TRP 77 N -0.07 0.49 -0.61 -3.82 4.06 -1.12 -2.55 115.95 112.33 2h6u h TRP 77 Ca 0.15 -0.13 -0.03 0.00 2.06 0.00 0.00 58.89 60.95 2h6u h TRP 77 Cb 0.30 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 28.32 2h6u h TRP 77 CO -0.32 0.73 0.27 0.22 -3.56 0.00 0.00 178.44 175.78 2h6u h ASP 78 N 0.36 0.79 0.61 -3.49 3.58 -0.84 -0.22 116.42 117.19 2h6u h ASP 78 Ca 0.04 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2h6u h ASP 78 Cb 0.81 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.66 2h6u h ASP 78 CO 0.07 0.69 0.00 0.00 -2.88 0.00 0.00 179.24 177.11 2h6u n ALA 79 N -2.45 1.88 -0.09 -0.78 0.00 -0.83 -1.77 120.51 116.47 2h6u n ALA 79 Ca 0.05 -0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.52 2h6u n ALA 79 Cb 0.15 -1.30 0.23 0.00 0.00 0.00 0.00 19.45 18.52 2h6u n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2h6u n LEU 80 N -1.47 3.42 -0.10 0.00 4.77 -0.20 -4.97 117.00 118.45 2h6u n LEU 80 Ca 0.05 -1.81 -0.01 0.00 -0.03 0.00 0.00 56.01 54.21 2h6u n LEU 80 Cb 0.21 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 2h6u n LEU 80 CO 0.17 0.82 -0.01 0.61 -1.33 0.00 0.00 177.39 177.64 2h6u n GLY 81 N 1.23 0.49 3.11 -0.72 0.00 -0.73 -5.04 105.19 103.53 2h6u n GLY 81 Ca 0.18 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.08 0.67 0.45 1.61 2.02 -0.61 -5.01 118.70 115.74 2h6u s GLU 82 Ca 0.00 -1.20 -0.07 0.00 0.02 0.00 0.00 54.97 53.72 2h6u s GLU 82 Cb 0.00 0.03 -0.05 0.00 0.10 0.00 0.00 34.13 34.22 2h6u s GLU 82 CO 0.00 -0.07 0.77 -0.08 0.02 0.00 0.00 175.26 175.90 2h6u s THR 83 N -3.54 4.87 -0.02 3.63 -1.32 -1.26 -2.98 115.64 115.02 2h6u s THR 83 Ca 0.06 0.34 0.06 0.00 -1.21 0.00 0.00 61.69 60.94 2h6u s THR 83 Cb 0.05 -3.81 -0.01 0.00 -1.51 0.00 0.00 72.50 67.21 2h6u s THR 83 CO -0.07 -0.72 -0.21 0.00 -2.21 0.00 0.00 174.62 171.42 2h6u h PHE 85 N 5.69 0.38 -3.64 0.00 3.57 -1.47 -3.40 116.94 118.07 2h6u h PHE 85 Ca -0.38 -0.01 -0.67 0.00 3.53 0.00 0.00 57.97 60.44 2h6u h PHE 85 Cb 1.14 -0.12 -0.23 0.00 2.79 0.00 0.00 35.95 39.53 2h6u h PHE 85 CO 0.40 0.33 -0.59 0.71 -2.23 0.00 0.00 178.31 176.93 2h6u s TYR 86 N -5.13 3.15 0.35 0.41 2.02 -1.26 -4.97 117.35 111.92 2h6u s TYR 86 Ca -0.07 -0.62 0.17 0.00 -0.37 0.00 0.00 57.07 56.19 2h6u s TYR 86 Cb 0.16 -2.30 0.91 0.00 -0.40 0.00 0.00 41.96 40.34 2h6u s TYR 86 CO 0.73 -0.45 1.88 -1.00 -1.57 0.00 0.00 175.55 175.14 2h6u h PRO 87 N 8.29 0.00 -3.11 -1.71 0.13 -1.95 -3.21 132.00 130.44 2h6u h PRO 87 Ca -0.34 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.81 2h6u h PRO 87 Cb 1.15 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.19 2h6u h PRO 87 CO 0.60 0.29 0.15 1.52 -0.23 0.00 0.00 178.00 180.34 2h6u s TYR 88 N -4.14 -0.25 -0.07 1.56 1.13 -1.26 -1.07 117.35 113.25 2h6u s TYR 88 Ca -0.02 -0.10 0.02 0.00 -1.41 0.00 0.00 57.07 55.56 2h6u s TYR 88 Cb 0.14 0.56 0.01 0.00 -1.10 0.00 0.00 41.96 41.57 2h6u s TYR 88 CO 0.68 -1.03 -0.12 0.08 -2.51 0.00 0.00 175.55 172.65 2h6u s VAL 89 N -3.86 1.18 -0.17 -3.49 1.01 -0.27 -4.87 120.40 109.92 2h6u s VAL 89 Ca 0.08 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 2h6u s VAL 89 Cb -0.03 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.27 2h6u s VAL 89 CO -0.02 0.37 -0.13 -1.61 0.00 0.00 0.00 175.10 173.71 2h6u s GLU 90 N 0.76 3.24 -0.22 2.72 2.02 -1.26 0.31 118.70 126.27 2h6u s GLU 90 Ca -0.13 -0.72 -0.05 0.00 0.02 0.00 0.00 54.97 54.09 2h6u s GLU 90 Cb -0.16 -2.72 -0.02 0.00 0.10 0.00 0.00 34.13 31.34 2h6u s GLU 90 CO 0.03 -0.06 -0.01 0.42 0.02 0.00 0.00 175.26 175.66 2h6u s ILE 91 N 1.02 3.70 -0.14 -1.63 1.01 0.42 -4.95 121.20 120.63 2h6u s ILE 91 Ca -0.01 -0.38 -0.03 0.00 0.00 0.00 0.00 60.65 60.23 2h6u s ILE 91 Cb -0.15 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 2h6u s ILE 91 CO -0.03 0.40 -0.06 -0.69 0.00 0.00 0.00 174.94 174.57 2h6u s VAL 92 N 1.43 3.73 0.04 2.92 1.01 -1.26 -0.76 120.40 127.51 2h6u s VAL 92 Ca 0.05 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.48 2h6u s VAL 92 Cb -0.15 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.64 2h6u s VAL 92 CO -0.01 0.51 0.29 0.72 0.00 0.00 0.00 175.10 176.61 2h6u s PHE 93 N 0.20 -0.08 -0.24 5.22 -0.71 -0.48 -4.99 117.98 116.91 2h6u s PHE 93 Ca -0.03 -0.07 -0.10 0.00 -1.04 0.00 0.00 56.93 55.69 2h6u s PHE 93 Cb -0.14 0.07 -0.05 0.00 -1.21 0.00 0.00 43.02 41.70 2h6u s PHE 93 CO 0.03 -0.49 0.14 0.99 -1.34 0.00 0.00 175.22 174.56 2h6u s THR 94 N -2.55 5.22 -0.28 -4.49 2.01 -1.26 -0.94 115.64 113.34 2h6u s THR 94 Ca -0.05 0.13 -0.10 0.00 0.31 0.00 0.00 61.69 61.98 2h6u s THR 94 Cb -0.01 -3.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.04 2h6u s THR 94 CO -0.03 0.35 0.14 -0.63 -0.69 0.00 0.00 174.62 173.76 2h6u s ILE 95 N 1.07 4.81 -0.05 1.82 -1.09 -0.44 -4.97 121.20 122.35 2h6u s ILE 95 Ca 0.07 -0.10 -0.02 0.00 -2.23 0.00 0.00 60.65 58.37 2h6u s ILE 95 Cb -0.14 -3.32 -0.02 0.00 -1.58 0.00 0.00 42.46 37.40 2h6u s ILE 95 CO 0.04 0.23 -0.06 0.35 -1.23 0.00 0.00 174.94 174.27 2h6u n THR 96 N 5.00 0.26 -3.30 2.92 -2.24 -1.26 -1.64 114.28 114.01 2h6u n THR 96 Ca -0.15 -0.07 -0.44 0.00 -2.27 0.00 0.00 64.05 61.12 2h6u n THR 96 Cb 0.51 -1.41 -0.07 0.00 -2.10 0.00 0.00 70.33 67.25 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 -5.26 6.18 0.00 3.42 3.84 -1.26 -4.77 114.94 117.10 2h6u s ASN 97 Ca -0.06 -1.10 0.16 0.00 0.21 0.00 0.00 52.86 52.06 2h6u s ASN 97 Cb 0.02 -2.23 0.92 0.00 -0.55 0.00 0.00 41.25 39.42 2h6u s ASN 97 CO 0.09 -0.72 1.60 1.07 -2.79 0.00 0.00 177.10 176.34 2h6u n THR 98 N 5.37 0.01 0.61 -5.21 5.66 -1.26 -2.95 114.28 116.52 2h6u n THR 98 Ca -0.10 -0.02 0.11 0.00 -3.05 0.00 0.00 64.05 61.00 2h6u n THR 98 Cb 0.45 -0.22 0.02 0.00 -1.55 0.00 0.00 70.33 69.03 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 -0.70 0.62 -4.81 1.09 3.41 -1.26 -4.91 113.62 107.07 2h6u n SER 99 Ca 0.12 -0.26 -0.33 0.00 -0.26 0.00 0.00 58.87 58.14 2h6u n SER 99 Cb 0.07 0.79 -0.02 0.00 -0.26 0.00 0.00 64.21 64.79 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 -3.18 3.62 0.23 4.33 -0.21 -1.15 -5.05 119.66 118.25 2h6u s GLN 100 Ca 0.04 1.21 -0.16 0.00 0.02 0.00 0.00 55.36 56.47 2h6u s GLN 100 Cb 0.15 -2.08 -0.08 0.00 1.00 0.00 0.00 33.01 32.00 2h6u s GLN 100 CO 0.80 -0.57 0.67 -1.58 -2.12 0.00 0.00 175.29 172.50 2h6u s HIS 101 N -2.31 3.54 -0.13 0.91 5.65 -1.26 -4.95 115.29 116.73 2h6u s HIS 101 Ca 0.64 1.22 -0.00 0.00 0.25 0.00 0.00 55.06 57.17 2h6u s HIS 101 Cb -0.15 -2.50 0.03 0.00 -1.18 0.00 0.00 32.58 28.77 2h6u s HIS 101 CO 0.29 0.29 -0.10 0.71 -0.65 0.00 0.00 174.74 175.28 2h6u s TYR 102 N -1.66 1.78 -0.21 3.88 2.02 0.20 -4.36 117.35 118.99 2h6u s TYR 102 Ca 0.45 -0.97 -0.06 0.00 -0.37 0.00 0.00 57.07 56.12 2h6u s TYR 102 Cb -0.14 -1.38 -0.03 0.00 -0.40 0.00 0.00 41.96 40.01 2h6u s TYR 102 CO 0.20 -0.59 0.04 -1.58 -1.57 0.00 0.00 175.55 172.05 2h6u s HIS 103 N 1.61 3.10 -0.58 2.71 5.65 -0.53 -1.04 115.29 126.22 2h6u s HIS 103 Ca 0.04 -0.32 0.04 0.00 0.25 0.00 0.00 55.06 55.08 2h6u s HIS 103 Cb -0.13 -2.14 0.15 0.00 -1.18 0.00 0.00 32.58 29.28 2h6u s HIS 103 CO -0.09 -0.19 0.37 0.08 -0.65 0.00 0.00 174.74 174.26 2h6u s VAL 104 N 1.09 2.29 0.78 0.89 1.01 0.09 -1.44 120.40 125.11 2h6u s VAL 104 Ca 0.03 -3.57 -0.11 0.00 0.00 0.00 0.00 61.98 58.34 2h6u s VAL 104 Cb -0.14 -2.54 0.07 0.00 0.00 0.00 0.00 36.38 33.77 2h6u s VAL 104 CO 0.03 -0.96 1.14 -2.16 0.00 0.00 0.00 175.10 173.14 2h6u s PRO 105 N -0.69 2.06 -0.07 2.72 0.04 -1.26 -4.31 135.00 133.49 2h6u s PRO 105 Ca 0.22 0.04 -0.03 0.00 0.04 0.00 0.00 61.00 61.28 2h6u s PRO 105 Cb -0.13 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.45 2h6u s PRO 105 CO -0.10 -1.49 0.10 -1.17 0.04 0.00 0.00 177.00 174.39 2h6u s LEU 106 N -5.49 0.08 -0.26 -3.56 2.96 0.01 -4.42 118.68 108.01 2h6u s LEU 106 Ca 0.61 0.09 -0.10 0.00 -0.22 0.00 0.00 54.13 54.51 2h6u s LEU 106 Cb -0.11 -0.00 -0.04 0.00 0.50 0.00 0.00 46.19 46.54 2h6u s LEU 106 CO 0.48 -0.26 0.14 -0.76 -1.32 0.00 0.00 176.35 174.63 2h6u s LEU 107 N 2.21 3.87 -0.02 -0.68 1.02 -0.24 -1.13 118.68 123.71 2h6u s LEU 107 Ca 0.04 -0.03 0.03 0.00 0.02 0.00 0.00 54.13 54.19 2h6u s LEU 107 Cb -0.12 -2.05 -0.01 0.00 0.02 0.00 0.00 46.19 44.03 2h6u s LEU 107 CO -0.05 -0.01 -0.11 -0.22 0.02 0.00 0.00 176.35 175.98 2h6u s LEU 108 N 1.49 1.95 0.00 1.79 2.96 0.08 -1.39 118.68 125.56 2h6u s LEU 108 Ca 0.07 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 2h6u s LEU 108 Cb -0.15 -0.60 -0.00 0.00 0.50 0.00 0.00 46.19 45.93 2h6u s LEU 108 CO 0.07 0.12 0.01 -1.54 -1.32 0.00 0.00 176.35 173.69 2h6u n SER 109 N 2.96 1.47 0.22 3.68 3.41 -0.29 -0.92 113.62 124.16 2h6u n SER 109 Ca -0.15 -1.27 0.10 0.00 -0.26 0.00 0.00 58.87 57.29 2h6u n SER 109 Cb 0.55 0.09 0.47 0.00 -0.26 0.00 0.00 64.21 65.07 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 -2.00 -3.32 114.38 116.47 2h6u h ARG 110 Ca -0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 2h6u h ARG 110 Cb 0.15 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.12 2h6u h ARG 110 CO 0.07 0.21 -0.48 1.19 -1.07 0.00 0.00 179.97 179.89 2h6u n PHE 111 N -3.38 0.00 -3.47 3.04 3.72 -1.26 -1.11 117.46 115.00 2h6u n PHE 111 Ca 0.00 -0.61 -0.12 0.00 -0.05 0.00 0.00 57.45 56.67 2h6u n PHE 111 Cb 0.42 -0.13 -0.03 0.00 -0.94 0.00 0.00 39.48 38.81 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 -2.07 -0.51 0.14 4.37 1.04 -1.25 -5.04 113.70 110.38 2h6u s SER 112 Ca 0.22 0.11 -0.20 0.00 0.48 0.00 0.00 55.95 56.56 2h6u s SER 112 Cb 0.22 0.51 0.06 0.00 0.10 0.00 0.00 66.02 66.91 2h6u s SER 112 CO -0.04 -0.79 0.52 -0.72 0.98 0.00 0.00 173.24 173.19 2h6u s TYR 113 N -3.10 -0.41 0.08 5.02 1.13 -1.26 -1.13 117.35 117.68 2h6u s TYR 113 Ca 0.00 0.16 -0.14 0.00 -1.41 0.00 0.00 57.07 55.69 2h6u s TYR 113 Cb -0.01 0.44 0.02 0.00 -1.10 0.00 0.00 41.96 41.31 2h6u s TYR 113 CO -0.08 -0.79 0.32 -1.54 -2.51 0.00 0.00 175.55 170.95 2h6u s SER 114 N -2.75 -0.11 0.19 -0.18 1.04 -0.49 -4.99 113.70 106.41 2h6u s SER 114 Ca 0.02 -0.33 -0.10 0.00 0.48 0.00 0.00 55.95 56.02 2h6u s SER 114 Cb 0.00 0.40 -0.00 0.00 0.10 0.00 0.00 66.02 66.51 2h6u s SER 114 CO -0.12 -0.72 0.35 0.28 0.98 0.00 0.00 173.24 174.01 2h6u s THR 115 N -3.26 0.04 0.15 2.02 -1.32 -1.26 -1.08 115.64 110.92 2h6u s THR 115 Ca -0.00 -1.36 -0.20 0.00 -1.21 0.00 0.00 61.69 58.92 2h6u s THR 115 Cb 0.01 -1.95 0.06 0.00 -1.51 0.00 0.00 72.50 69.11 2h6u s THR 115 CO -0.08 -0.18 0.53 -0.72 -2.21 0.00 0.00 174.62 171.96 2h6u s TYR 116 N -3.98 -0.41 -0.23 9.09 1.13 -1.26 -5.06 117.35 116.62 2h6u s TYR 116 Ca 0.19 0.16 -0.25 0.00 -1.41 0.00 0.00 57.07 55.76 2h6u s TYR 116 Cb 0.02 0.45 -0.00 0.00 -1.10 0.00 0.00 41.96 41.33 2h6u s TYR 116 CO 0.03 -0.80 0.85 0.50 -2.51 0.00 0.00 175.55 173.62 2h6u s ARG 117 N -3.77 4.20 0.44 -3.49 3.00 -1.26 -4.17 118.95 113.90 2h6u s ARG 117 Ca 0.02 1.00 0.01 0.00 -1.00 0.00 0.00 55.73 55.75 2h6u s ARG 117 Cb 0.00 -3.64 0.01 0.00 0.00 0.00 0.00 34.95 31.32 2h6u s ARG 117 CO -0.12 -0.51 0.07 0.41 0.00 0.00 0.00 175.30 175.14 2h6u n GLY 118 N 3.68 3.48 0.00 8.12 0.00 -0.52 -4.98 105.19 114.97 2h6u n GLY 118 Ca 0.06 -2.33 0.00 0.00 0.00 0.00 0.00 46.02 43.75 2h6u n GLY 118 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06