#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5m n SER 2 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.18 113.62 111.68 1x5m n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x5m n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1x5m n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x5m n SER 3 N 0.00 0.00 -3.57 -3.46 7.64 -1.26 -5.19 113.62 107.79 1x5m n SER 3 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1x5m n SER 3 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1x5m n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x5m s GLY 4 N 0.00 -0.44 -0.20 0.23 0.00 -1.26 -5.18 107.32 100.46 1x5m s GLY 4 Ca 0.00 0.23 -0.36 0.00 0.00 0.00 0.00 44.72 44.59 1x5m s GLY 4 CO 0.00 0.08 1.30 -0.45 0.00 0.00 0.00 173.10 174.03 1x5m s SER 5 N -2.81 -0.07 0.26 1.64 0.15 -1.26 -5.19 113.70 106.42 1x5m s SER 5 Ca 0.04 -0.01 -0.18 0.00 0.70 0.00 0.00 55.95 56.50 1x5m s SER 5 Cb -0.03 0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.38 1x5m s SER 5 CO -0.06 -0.14 0.61 -0.44 1.20 0.00 0.00 173.24 174.41 1x5m s SER 6 N -2.26 -0.21 -0.27 5.45 0.01 -1.26 -5.18 113.70 109.98 1x5m s SER 6 Ca 0.11 -0.69 -0.25 0.00 1.31 0.00 0.00 55.95 56.44 1x5m s SER 6 Cb 0.00 0.66 0.08 0.00 0.21 0.00 0.00 66.02 66.98 1x5m s SER 6 CO -0.04 -1.24 0.78 -0.83 0.41 0.00 0.00 173.24 172.32 1x5m s GLY 7 N -2.94 -0.47 0.10 3.44 0.00 -1.26 -5.17 107.32 101.02 1x5m s GLY 7 Ca 0.14 2.18 0.06 0.00 0.00 0.00 0.00 44.72 47.10 1x5m s GLY 7 CO 0.06 1.80 -0.15 0.54 0.00 0.00 0.00 173.10 175.35 1x5m s VAL 8 N 0.41 1.31 0.44 1.40 0.11 -1.26 -5.14 120.40 117.67 1x5m s VAL 8 Ca 0.00 -1.51 -0.15 0.00 -2.93 0.00 0.00 61.98 57.39 1x5m s VAL 8 Cb -0.05 -1.34 -0.08 0.00 -1.53 0.00 0.00 36.38 33.38 1x5m s VAL 8 CO -0.01 -0.27 0.87 -0.69 -3.33 0.00 0.00 175.10 171.67 1x5m s VAL 9 N -1.59 4.63 -0.42 2.04 1.01 -1.26 -5.04 120.40 119.76 1x5m s VAL 9 Ca 0.04 1.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.94 1x5m s VAL 9 Cb -0.08 -3.70 0.10 0.00 0.00 0.00 0.00 36.38 32.70 1x5m s VAL 9 CO 0.03 -0.53 0.25 0.00 0.00 0.00 0.00 175.10 174.86 1x5m s ALA 10 N -2.41 3.26 1.10 5.51 0.00 -1.26 -5.08 121.76 122.88 1x5m s ALA 10 Ca 0.56 -2.33 -0.15 0.00 0.00 0.00 0.00 51.96 50.04 1x5m s ALA 10 Cb -0.10 -2.60 0.21 0.00 0.00 0.00 0.00 23.12 20.63 1x5m s ALA 10 CO 0.28 -1.73 0.97 -0.35 0.00 0.00 0.00 175.76 174.92 1x5m n PRO 11 N 4.82 -1.86 -1.97 0.00 -0.04 -1.26 -4.91 135.00 129.78 1x5m n PRO 11 Ca -0.08 -1.52 -0.42 0.00 -0.04 0.00 0.00 63.50 61.45 1x5m n PRO 11 Cb 0.42 -1.19 -0.03 0.00 -0.04 0.00 0.00 33.50 32.66 1x5m n PRO 11 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1x5m s ILE 12 N -2.95 3.41 -0.22 0.52 -4.36 -1.26 -4.94 121.20 111.40 1x5m s ILE 12 Ca 0.58 0.39 0.01 0.00 -0.26 0.00 0.00 60.65 61.37 1x5m s ILE 12 Cb -0.04 -3.64 0.05 0.00 1.25 0.00 0.00 42.46 40.09 1x5m s ILE 12 CO 0.43 -0.46 -0.07 0.42 0.24 0.00 0.00 174.94 175.50 1x5m s THR 13 N 7.55 1.54 0.00 8.37 -4.23 -1.26 -5.08 115.64 122.54 1x5m s THR 13 Ca 0.79 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 1x5m s THR 13 Cb -0.21 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 71.88 1x5m s THR 13 CO 0.31 -0.01 0.00 0.35 -0.54 0.00 0.00 174.62 174.73 1x5m n THR 14 N 4.68 0.00 0.00 3.99 -2.24 -1.26 -5.00 114.28 114.45 1x5m n THR 14 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1x5m n THR 14 Cb 0.45 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1x5m n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x5m n GLY 15 N 0.00 4.01 3.20 3.38 0.00 -1.26 -5.06 105.19 109.46 1x5m n GLY 15 Ca 0.00 -1.20 -0.26 0.00 0.00 0.00 0.00 46.02 44.55 1x5m n GLY 15 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1x5m n TYR 16 N -0.12 -2.44 -4.39 1.61 4.11 -1.26 -4.98 117.16 109.68 1x5m n TYR 16 Ca 0.00 -0.26 -0.23 0.00 -0.00 0.00 0.00 57.90 57.42 1x5m n TYR 16 Cb 0.00 -1.46 -0.13 0.00 -0.00 0.00 0.00 39.34 37.75 1x5m n TYR 16 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1x5m s THR 17 N -2.17 1.45 0.53 -3.48 2.01 -1.26 -4.43 115.64 108.29 1x5m s THR 17 Ca 0.55 -1.26 -0.17 0.00 0.31 0.00 0.00 61.69 61.13 1x5m s THR 17 Cb -0.12 -1.30 -0.07 0.00 0.01 0.00 0.00 72.50 71.02 1x5m s THR 17 CO 0.53 0.01 1.01 -0.69 -0.69 0.00 0.00 174.62 174.79 1x5m s VAL 18 N -0.98 4.24 -0.37 3.82 1.01 0.49 -4.76 120.40 123.85 1x5m s VAL 18 Ca 0.04 1.11 -0.12 0.00 0.00 0.00 0.00 61.98 63.01 1x5m s VAL 18 Cb -0.09 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.72 1x5m s VAL 18 CO 0.02 -0.58 0.22 -0.54 0.00 0.00 0.00 175.10 174.22 1x5m s LYS 19 N -3.97 3.00 -0.82 2.72 1.02 -1.26 0.18 119.74 120.62 1x5m s LYS 19 Ca 0.61 -0.97 -0.25 0.00 0.02 0.00 0.00 55.97 55.38 1x5m s LYS 19 Cb -0.12 -3.76 -0.05 0.00 -0.52 0.00 0.00 37.83 33.38 1x5m s LYS 19 CO 0.31 -0.64 1.98 0.42 -0.92 0.00 0.00 175.35 176.50 1x5m s ILE 20 N 1.60 3.38 -0.08 2.17 1.01 -0.40 -4.77 121.20 124.12 1x5m s ILE 20 Ca 0.03 -0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.43 1x5m s ILE 20 Cb -0.19 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 1x5m s ILE 20 CO 0.08 -0.84 0.21 -1.28 0.00 0.00 0.00 174.94 173.10 1x5m h SER 21 N 12.44 -0.16 -3.34 3.58 0.87 -1.95 -3.44 113.55 121.56 1x5m h SER 21 Ca 0.00 0.01 -0.60 0.00 -1.23 0.00 0.00 61.79 59.97 1x5m h SER 21 Cb 1.05 0.04 -0.09 0.00 -0.44 0.00 0.00 62.40 62.95 1x5m h SER 21 CO 1.19 0.32 0.40 0.21 -0.53 0.00 0.00 176.83 178.42 1x5m s ASN 22 N -5.31 6.76 -0.14 6.23 2.47 -1.26 -5.02 114.94 118.67 1x5m s ASN 22 Ca -0.03 0.94 -0.08 0.00 0.42 0.00 0.00 52.86 54.11 1x5m s ASN 22 Cb 0.00 -2.41 0.05 0.00 -1.45 0.00 0.00 41.25 37.44 1x5m s ASN 22 CO 0.08 -0.49 0.34 -0.72 -3.72 0.00 0.00 177.10 172.59 1x5m s TYR 23 N 2.77 -0.48 0.08 0.43 -0.85 -1.26 -4.75 117.35 113.29 1x5m s TYR 23 Ca 0.33 1.07 -0.28 0.00 -0.52 0.00 0.00 57.07 57.66 1x5m s TYR 23 Cb -0.15 0.17 -0.06 0.00 0.38 0.00 0.00 41.96 42.30 1x5m s TYR 23 CO 0.08 -0.29 0.88 0.20 -1.52 0.00 0.00 175.55 174.90 1x5m s GLY 24 N 1.28 2.91 0.02 5.49 0.00 -0.28 -4.96 107.32 111.79 1x5m s GLY 24 Ca -0.09 0.45 0.01 0.00 0.00 0.00 0.00 44.72 45.09 1x5m s GLY 24 CO -0.10 1.32 -0.04 0.66 0.00 0.00 0.00 173.10 174.93 1x5m s TRP 25 N 0.02 0.36 -0.03 1.90 1.48 -1.26 0.19 118.94 121.60 1x5m s TRP 25 Ca 0.44 -0.49 -0.08 0.00 -1.06 0.00 0.00 56.10 54.90 1x5m s TRP 25 Cb -0.22 -0.24 0.01 0.00 -1.16 0.00 0.00 33.47 31.86 1x5m s TRP 25 CO 0.27 -0.15 0.19 -0.51 -4.06 0.00 0.00 176.95 172.69 1x5m s ASP 26 N -1.39 -0.10 0.11 -2.66 1.11 -0.14 -4.92 116.67 108.69 1x5m s ASP 26 Ca -0.13 0.06 0.10 0.00 0.18 0.00 0.00 52.55 52.76 1x5m s ASP 26 Cb -0.09 0.30 -0.04 0.00 1.07 0.00 0.00 42.92 44.16 1x5m s ASP 26 CO -0.01 -0.27 -0.24 0.00 1.18 0.00 0.00 175.17 175.83 1x5m s GLN 27 N -0.84 1.30 0.01 8.23 0.00 -1.26 -1.64 119.66 125.46 1x5m s GLN 27 Ca -0.09 -1.26 -0.01 0.00 -0.00 0.00 0.00 55.36 54.00 1x5m s GLN 27 Cb -0.05 -1.69 -0.01 0.00 0.00 0.00 0.00 33.01 31.26 1x5m s GLN 27 CO 0.02 0.40 -0.00 -1.12 0.00 0.00 0.00 175.29 174.58 1x5m s SER 28 N -1.96 0.13 -0.86 12.60 0.01 -1.10 -4.99 113.70 117.53 1x5m s SER 28 Ca 0.11 -0.27 -0.25 0.00 1.31 0.00 0.00 55.95 56.84 1x5m s SER 28 Cb -0.10 0.08 -0.20 0.00 0.21 0.00 0.00 66.02 66.00 1x5m s SER 28 CO 0.05 -0.18 1.92 0.47 0.41 0.00 0.00 173.24 175.91 1x5m n ASP 29 N 2.18 2.05 0.00 2.44 8.00 -1.26 -1.84 116.55 128.12 1x5m n ASP 29 Ca -0.19 -2.59 0.00 0.00 0.71 0.00 0.00 54.79 52.71 1x5m n ASP 29 Cb 0.57 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 1x5m n ASP 29 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1x5m n LYS 30 N 7.95 0.00 -3.66 -1.24 5.02 -1.26 -4.17 118.16 120.81 1x5m n LYS 30 Ca 0.45 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.59 1x5m n LYS 30 Cb 0.45 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.38 1x5m n LYS 30 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1x5m s PHE 31 N 0.00 -0.56 0.02 2.13 0.08 -0.77 -4.13 117.98 114.75 1x5m s PHE 31 Ca 0.00 1.22 -0.06 0.00 0.12 0.00 0.00 56.93 58.22 1x5m s PHE 31 Cb 0.00 0.24 -0.05 0.00 -0.57 0.00 0.00 43.02 42.64 1x5m s PHE 31 CO 0.00 -0.39 0.26 0.08 -0.10 0.00 0.00 175.22 175.07 1x5m s VAL 32 N -0.32 5.32 -0.04 -0.44 1.01 -0.64 -2.72 120.40 122.56 1x5m s VAL 32 Ca -0.05 0.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.92 1x5m s VAL 32 Cb -0.03 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.80 1x5m s VAL 32 CO 0.04 0.33 0.24 -0.75 0.00 0.00 0.00 175.10 174.96 1x5m s LYS 33 N -1.87 0.47 0.19 2.72 2.20 -0.65 0.21 119.74 123.00 1x5m s LYS 33 Ca 0.29 -0.03 0.11 0.00 -0.36 0.00 0.00 55.97 55.98 1x5m s LYS 33 Cb -0.13 0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 36.35 1x5m s LYS 33 CO 0.17 -0.10 -0.24 0.42 -0.36 0.00 0.00 175.35 175.24 1x5m s ILE 34 N -0.74 2.39 -0.18 5.43 1.09 -0.59 -0.96 121.20 127.64 1x5m s ILE 34 Ca -0.08 -1.99 -0.04 0.00 -1.10 0.00 0.00 60.65 57.45 1x5m s ILE 34 Cb -0.04 -2.14 0.06 0.00 -1.06 0.00 0.00 42.46 39.28 1x5m s ILE 34 CO 0.02 -0.10 0.05 -0.31 -0.10 0.00 0.00 174.94 174.51 1x5m s TYR 35 N -1.61 0.72 0.11 3.97 1.51 0.51 -2.01 117.35 120.55 1x5m s TYR 35 Ca 0.20 -0.64 0.05 0.00 -1.01 0.00 0.00 57.07 55.68 1x5m s TYR 35 Cb -0.08 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.83 1x5m s TYR 35 CO 0.10 -0.56 0.00 0.42 -1.11 0.00 0.00 175.55 174.40 1x5m s ILE 36 N 1.96 3.98 -0.49 2.71 1.09 -0.90 -1.12 121.20 128.43 1x5m s ILE 36 Ca 0.00 -1.06 -0.19 0.00 -1.10 0.00 0.00 60.65 58.30 1x5m s ILE 36 Cb -0.17 -2.92 0.05 0.00 -1.06 0.00 0.00 42.46 38.37 1x5m s ILE 36 CO -0.08 0.07 0.58 -0.89 -0.10 0.00 0.00 174.94 174.52 1x5m s THR 37 N -1.39 4.94 -0.24 2.92 2.01 -1.26 -1.49 115.64 121.13 1x5m s THR 37 Ca 0.26 -0.50 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 1x5m s THR 37 Cb -0.11 -4.24 0.08 0.00 0.01 0.00 0.00 72.50 68.23 1x5m s THR 37 CO 0.19 -0.72 0.10 -0.22 -0.69 0.00 0.00 174.62 173.28 1x5m s LEU 38 N 2.48 0.64 -0.23 4.42 1.98 -0.50 -4.95 118.68 122.52 1x5m s LEU 38 Ca 0.14 -1.01 -0.29 0.00 -2.89 0.00 0.00 54.13 50.08 1x5m s LEU 38 Cb -0.19 -0.37 0.01 0.00 0.66 0.00 0.00 46.19 46.30 1x5m s LEU 38 CO 0.12 -0.39 1.09 -0.89 -1.89 0.00 0.00 176.35 174.39 1x5m s THR 39 N 2.06 4.57 0.00 3.68 2.01 -1.25 -2.71 115.64 124.00 1x5m s THR 39 Ca 0.05 1.89 0.00 0.00 0.31 0.00 0.00 61.69 63.94 1x5m s THR 39 Cb -0.16 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.09 1x5m s THR 39 CO -0.23 -0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.10 1x5m n GLY 40 N 3.47 2.28 0.34 4.40 0.00 -1.26 -4.00 105.19 110.41 1x5m n GLY 40 Ca 0.12 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.32 1x5m n GLY 40 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1x5m h VAL 41 N 0.00 0.39 -0.08 1.61 3.04 -1.89 1.53 116.25 120.84 1x5m h VAL 41 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1x5m h VAL 41 Cb 0.00 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 30.09 1x5m h VAL 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.56 1x5m n HIS 42 N -3.67 0.10 -0.03 3.17 1.44 -1.26 -3.52 115.22 111.45 1x5m n HIS 42 Ca 0.02 -0.05 -0.03 0.00 -2.01 0.00 0.00 57.72 55.64 1x5m n HIS 42 Cb 0.35 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.41 1x5m n HIS 42 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1x5m n GLN 43 N -0.13 2.91 -2.06 -1.40 6.02 0.51 -5.02 117.38 118.20 1x5m n GLN 43 Ca 0.17 -0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.82 1x5m n GLN 43 Cb 0.24 -1.16 0.01 0.00 1.02 0.00 0.00 30.24 30.35 1x5m n GLN 43 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1x5m s VAL 44 N -2.15 3.62 1.00 5.09 -7.23 -0.16 -5.04 120.40 115.53 1x5m s VAL 44 Ca -0.03 0.81 -0.15 0.00 -1.81 0.00 0.00 61.98 60.80 1x5m s VAL 44 Cb 0.02 -3.32 0.19 0.00 0.56 0.00 0.00 36.38 33.83 1x5m s VAL 44 CO 0.26 -0.40 1.18 -2.16 -0.31 0.00 0.00 175.10 173.66 1x5m s PRO 45 N -3.90 0.37 0.00 4.82 0.04 -1.26 -4.93 135.00 130.14 1x5m s PRO 45 Ca 0.66 0.00 0.25 0.00 0.04 0.00 0.00 61.00 61.95 1x5m s PRO 45 Cb -0.18 -1.78 1.21 0.00 0.04 0.00 0.00 34.50 33.80 1x5m s PRO 45 CO 0.35 -2.66 1.82 -2.37 0.04 0.00 0.00 177.00 174.18 1x5m n THR 46 N -4.03 0.23 0.08 1.26 5.66 -1.26 -2.76 114.28 113.45 1x5m n THR 46 Ca 0.11 0.06 -0.12 0.00 -3.05 0.00 0.00 64.05 61.05 1x5m n THR 46 Cb 0.59 -0.65 -0.13 0.00 -1.55 0.00 0.00 70.33 68.59 1x5m n THR 46 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 1x5m h GLU 47 N 0.00 0.14 0.00 1.09 4.11 -2.01 -3.20 114.58 114.72 1x5m h GLU 47 Ca 0.00 -0.24 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1x5m h GLU 47 Cb 0.26 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1x5m h GLU 47 CO 0.00 1.09 -0.14 -0.91 0.07 0.00 0.00 179.01 179.12 1x5m h ASN 48 N 0.04 0.00 -3.48 3.06 4.21 -1.83 -3.41 115.58 114.16 1x5m h ASN 48 Ca -0.10 -0.01 -0.72 0.00 1.21 0.00 0.00 56.30 56.69 1x5m h ASN 48 Cb 1.89 0.00 -0.26 0.00 -1.12 0.00 0.00 38.32 38.83 1x5m h ASN 48 CO 0.16 0.00 -0.47 -0.69 -1.29 0.00 0.00 177.43 175.15 1x5m s VAL 49 N -3.21 4.48 -0.22 2.81 1.01 -1.20 -0.73 120.40 123.35 1x5m s VAL 49 Ca 0.07 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 60.91 1x5m s VAL 49 Cb 0.07 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.85 1x5m s VAL 49 CO 0.67 -0.42 -0.15 -1.10 0.00 0.00 0.00 175.10 174.10 1x5m s GLN 50 N 1.50 2.58 -0.02 2.72 -0.21 -0.47 -4.82 119.66 120.94 1x5m s GLN 50 Ca 0.03 -1.11 0.03 0.00 0.02 0.00 0.00 55.36 54.32 1x5m s GLN 50 Cb -0.22 -2.75 -0.00 0.00 1.00 0.00 0.00 33.01 31.04 1x5m s GLN 50 CO 0.04 -0.41 -0.10 0.54 -2.12 0.00 0.00 175.29 173.24 1x5m s VAL 51 N 1.19 0.86 -0.05 1.09 0.11 -1.26 0.19 120.40 122.53 1x5m s VAL 51 Ca -0.03 -0.43 0.04 0.00 -2.93 0.00 0.00 61.98 58.63 1x5m s VAL 51 Cb -0.17 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 1x5m s VAL 51 CO -0.09 0.26 -0.16 -2.28 -3.33 0.00 0.00 175.10 169.50 1x5m s HIS 52 N -0.01 1.67 -0.03 1.54 5.04 0.45 -4.96 115.29 118.99 1x5m s HIS 52 Ca 0.00 -0.54 -0.03 0.00 -1.54 0.00 0.00 55.06 52.95 1x5m s HIS 52 Cb -0.07 -1.15 -0.04 0.00 0.04 0.00 0.00 32.58 31.36 1x5m s HIS 52 CO 0.00 -0.22 0.14 -0.06 -2.34 0.00 0.00 174.74 172.27 1x5m s PHE 53 N 0.25 3.48 0.00 3.88 0.08 -1.26 -0.55 117.98 123.86 1x5m s PHE 53 Ca -0.08 0.35 0.00 0.00 0.12 0.00 0.00 56.93 57.32 1x5m s PHE 53 Cb -0.13 -1.83 0.00 0.00 -0.57 0.00 0.00 43.02 40.49 1x5m s PHE 53 CO 0.03 0.64 0.00 0.25 -0.10 0.00 0.00 175.22 176.04 1x5m n THR 54 N 1.27 0.00 0.12 0.64 -2.24 -0.43 -4.79 114.28 108.85 1x5m n THR 54 Ca -0.14 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.41 1x5m n THR 54 Cb 0.53 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.61 1x5m n THR 54 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1x5m h GLU 55 N 0.00 0.55 -1.15 -0.78 4.11 -1.95 -3.36 114.58 112.00 1x5m h GLU 55 Ca 0.00 -0.85 -0.38 0.00 0.07 0.00 0.00 59.36 58.20 1x5m h GLU 55 Cb 0.00 0.30 -0.38 0.00 0.50 0.00 0.00 28.75 29.18 1x5m h GLU 55 CO 0.00 1.40 -1.13 0.54 0.07 0.00 0.00 179.01 179.89 1x5m n ARG 56 N -3.80 1.10 0.00 1.06 5.12 -1.26 0.13 116.66 119.02 1x5m n ARG 56 Ca -0.15 -3.16 0.00 0.00 -1.93 0.00 0.00 57.85 52.61 1x5m n ARG 56 Cb 1.03 -1.27 0.00 0.00 -1.16 0.00 0.00 32.46 31.06 1x5m n ARG 56 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1x5m n SER 57 N -0.00 0.00 -3.59 0.55 3.41 -1.26 -2.13 113.62 110.60 1x5m n SER 57 Ca 0.12 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.72 1x5m n SER 57 Cb 0.78 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.67 1x5m n SER 57 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1x5m s PHE 58 N -2.00 -0.57 0.06 7.33 -0.12 -0.50 -1.31 117.98 120.87 1x5m s PHE 58 Ca 0.00 1.09 0.02 0.00 -0.05 0.00 0.00 56.93 57.99 1x5m s PHE 58 Cb 0.00 0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 42.69 1x5m s PHE 58 CO 0.00 -0.28 0.07 0.16 -0.05 0.00 0.00 175.22 175.12 1x5m s ASP 59 N 1.58 5.53 -0.16 1.98 -4.77 0.28 -0.62 116.67 120.49 1x5m s ASP 59 Ca -0.07 0.01 -0.04 0.00 -3.30 0.00 0.00 52.55 49.15 1x5m s ASP 59 Cb -0.04 -1.50 0.08 0.00 -1.09 0.00 0.00 42.92 40.37 1x5m s ASP 59 CO -0.15 0.19 0.26 -0.22 0.70 0.00 0.00 175.17 175.95 1x5m s LEU 60 N -2.24 -0.28 0.09 2.11 0.20 0.59 -0.41 118.68 118.73 1x5m s LEU 60 Ca 0.28 0.37 0.05 0.00 0.69 0.00 0.00 54.13 55.52 1x5m s LEU 60 Cb -0.12 0.65 -0.04 0.00 -0.43 0.00 0.00 46.19 46.25 1x5m s LEU 60 CO 0.20 -0.27 -0.02 -0.22 -0.29 0.00 0.00 176.35 175.75 1x5m s LEU 61 N 2.41 3.37 -0.27 -0.68 1.98 0.51 0.97 118.68 126.97 1x5m s LEU 61 Ca 0.04 -0.22 -0.02 0.00 -2.89 0.00 0.00 54.13 51.04 1x5m s LEU 61 Cb -0.13 -2.11 0.12 0.00 0.66 0.00 0.00 46.19 44.74 1x5m s LEU 61 CO -0.10 0.18 0.28 -0.69 -1.89 0.00 0.00 176.35 174.13 1x5m s VAL 62 N -1.28 -0.39 0.37 1.68 1.01 0.15 -1.37 120.40 120.56 1x5m s VAL 62 Ca 0.24 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.92 1x5m s VAL 62 Cb -0.12 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1x5m s VAL 62 CO 0.17 -0.39 0.45 -0.54 0.00 0.00 0.00 175.10 174.79 1x5m s LYS 63 N 2.36 2.88 -0.00 2.72 3.01 0.09 0.16 119.74 130.96 1x5m s LYS 63 Ca 0.09 -1.20 -0.00 0.00 -1.01 0.00 0.00 55.97 53.85 1x5m s LYS 63 Cb -0.14 -2.68 0.00 0.00 -1.01 0.00 0.00 37.83 34.00 1x5m s LYS 63 CO -0.27 -0.05 0.00 -1.71 0.51 0.00 0.00 175.35 173.83 1x5m n ASN 64 N -1.63 -6.51 0.00 2.83 2.85 -1.23 -4.79 115.26 106.78 1x5m n ASN 64 Ca 0.02 0.40 0.00 0.00 -0.11 0.00 0.00 54.58 54.89 1x5m n ASN 64 Cb 0.59 -1.56 0.00 0.00 1.24 0.00 0.00 39.78 40.05 1x5m n ASN 64 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1x5m n LEU 65 N 1.28 0.00 -3.91 1.20 7.94 0.61 -4.79 117.00 119.33 1x5m n LEU 65 Ca -0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 1x5m n LEU 65 Cb 0.50 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.43 1x5m n LEU 65 CO 0.00 0.00 2.31 -3.20 -1.11 0.00 0.00 177.39 175.40 1x5m n ASN 66 N 0.00 3.60 -1.43 1.96 2.85 -1.26 -4.04 115.26 116.94 1x5m n ASN 66 Ca 0.00 -2.80 -0.18 0.00 -0.11 0.00 0.00 54.58 51.50 1x5m n ASN 66 Cb 0.00 -1.53 -0.07 0.00 1.24 0.00 0.00 39.78 39.43 1x5m n ASN 66 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5m n GLY 67 N 4.57 1.48 0.00 8.20 0.00 -1.26 -4.88 105.19 113.31 1x5m n GLY 67 Ca 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1x5m n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x5m n LYS 68 N -2.51 0.00 -4.15 1.61 2.85 -1.26 -5.12 118.16 109.57 1x5m n LYS 68 Ca -0.18 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 56.93 1x5m n LYS 68 Cb 0.59 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.86 1x5m n LYS 68 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1x5m s SER 69 N -0.82 1.38 0.06 -5.58 0.01 -1.26 0.22 113.70 107.71 1x5m s SER 69 Ca 0.00 -0.72 0.04 0.00 1.31 0.00 0.00 55.95 56.58 1x5m s SER 69 Cb 0.00 0.00 -0.03 0.00 0.21 0.00 0.00 66.02 66.20 1x5m s SER 69 CO 0.00 -0.21 -0.11 -0.31 0.41 0.00 0.00 173.24 173.02 1x5m s TYR 70 N -1.97 0.97 0.01 2.43 1.51 0.42 0.18 117.35 120.90 1x5m s TYR 70 Ca 0.01 -0.47 0.01 0.00 -1.01 0.00 0.00 57.07 55.61 1x5m s TYR 70 Cb -0.06 -0.56 -0.01 0.00 -0.11 0.00 0.00 41.96 41.23 1x5m s TYR 70 CO 0.01 -0.01 -0.04 -1.54 -1.11 0.00 0.00 175.55 172.86 1x5m s SER 71 N -1.64 0.43 -0.14 2.29 1.04 0.49 0.31 113.70 116.47 1x5m s SER 71 Ca -0.05 -0.17 -0.06 0.00 0.48 0.00 0.00 55.95 56.15 1x5m s SER 71 Cb -0.10 -0.02 0.07 0.00 0.10 0.00 0.00 66.02 66.07 1x5m s SER 71 CO 0.01 -0.03 0.30 -0.32 0.98 0.00 0.00 173.24 174.19 1x5m s MET 72 N -0.43 0.21 0.01 4.02 0.00 0.27 -1.27 119.30 122.12 1x5m s MET 72 Ca -0.02 0.77 0.01 0.00 0.00 0.00 0.00 55.69 56.45 1x5m s MET 72 Cb -0.03 0.02 -0.01 0.00 0.00 0.00 0.00 34.83 34.81 1x5m s MET 72 CO -0.00 -0.25 -0.04 0.42 0.00 0.00 0.00 175.02 175.16 1x5m s ILE 73 N 2.16 0.23 -0.10 10.11 1.01 -1.26 0.22 121.20 133.56 1x5m s ILE 73 Ca -0.02 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.13 1x5m s ILE 73 Cb -0.11 -0.27 0.02 0.00 0.01 0.00 0.00 42.46 42.10 1x5m s ILE 73 CO -0.10 -0.18 -0.11 0.68 0.00 0.00 0.00 174.94 175.22 1x5m s VAL 74 N -0.69 1.23 -0.12 2.92 -7.23 0.21 -4.98 120.40 111.73 1x5m s VAL 74 Ca -0.06 -0.46 0.03 0.00 -1.81 0.00 0.00 61.98 59.68 1x5m s VAL 74 Cb -0.05 -1.17 0.00 0.00 0.56 0.00 0.00 36.38 35.72 1x5m s VAL 74 CO -0.00 0.39 -0.22 0.20 -0.31 0.00 0.00 175.10 175.16 1x5m s ASN 75 N 1.23 3.15 0.00 4.85 0.01 -1.26 -1.41 114.94 121.51 1x5m s ASN 75 Ca -0.03 -0.57 0.00 0.00 -0.71 0.00 0.00 52.86 51.55 1x5m s ASN 75 Cb -0.14 -1.44 0.00 0.00 0.41 0.00 0.00 41.25 40.08 1x5m s ASN 75 CO -0.04 0.12 0.00 0.59 -1.51 0.00 0.00 177.10 176.26 1x5m n ASN 76 N 3.77 -1.67 -4.76 -1.22 3.02 -1.03 -4.78 115.26 108.59 1x5m n ASN 76 Ca -0.19 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.00 1x5m n ASN 76 Cb 0.52 -0.84 -0.08 0.00 -0.61 0.00 0.00 39.78 38.78 1x5m n ASN 76 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x5m s LEU 77 N 0.00 4.16 0.26 3.41 1.43 -0.90 -2.25 118.68 124.78 1x5m s LEU 77 Ca 0.00 0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 53.31 1x5m s LEU 77 Cb 0.00 -2.04 0.44 0.00 0.03 0.00 0.00 46.19 44.62 1x5m s LEU 77 CO 0.00 0.27 1.44 -0.11 0.23 0.00 0.00 176.35 178.18 1x5m n LEU 78 N 2.91 -0.32 -4.36 1.79 7.94 -1.16 -4.44 117.00 119.35 1x5m n LEU 78 Ca -0.18 1.59 -0.20 0.00 -1.11 0.00 0.00 56.01 56.12 1x5m n LEU 78 Cb 0.53 -0.49 -0.10 0.00 0.53 0.00 0.00 43.42 43.89 1x5m n LEU 78 CO 0.34 -1.53 -0.45 -0.54 -1.11 0.00 0.00 177.39 174.10 1x5m s LYS 79 N -6.15 1.37 0.90 1.96 -0.14 -1.26 -4.94 119.74 111.49 1x5m s LYS 79 Ca -0.14 -1.59 -0.12 0.00 -1.36 0.00 0.00 55.97 52.76 1x5m s LYS 79 Cb 0.25 -1.26 0.13 0.00 -1.68 0.00 0.00 37.83 35.28 1x5m s LYS 79 CO 0.72 0.22 1.13 -1.25 -0.76 0.00 0.00 175.35 175.42 1x5m s PRO 80 N -3.48 1.22 -0.07 -1.68 0.04 -1.26 -4.79 135.00 124.98 1x5m s PRO 80 Ca 0.22 0.31 -0.19 0.00 0.04 0.00 0.00 61.00 61.39 1x5m s PRO 80 Cb -0.02 -1.85 0.04 0.00 0.04 0.00 0.00 34.50 32.71 1x5m s PRO 80 CO 0.08 -2.15 0.44 0.96 0.04 0.00 0.00 177.00 176.37 1x5m s ILE 81 N -3.27 0.03 0.13 0.56 -5.25 0.36 -2.78 121.20 110.97 1x5m s ILE 81 Ca 0.64 -0.22 -0.31 0.00 -0.99 0.00 0.00 60.65 59.76 1x5m s ILE 81 Cb -0.15 -0.71 -0.08 0.00 2.95 0.00 0.00 42.46 44.48 1x5m s ILE 81 CO 0.53 -0.12 1.31 -0.44 -1.79 0.00 0.00 174.94 174.43 1x5m s SER 82 N -0.82 6.92 -0.00 4.36 0.01 0.67 -4.05 113.70 120.79 1x5m s SER 82 Ca -0.09 2.27 -0.00 0.00 1.31 0.00 0.00 55.95 59.44 1x5m s SER 82 Cb -0.03 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.60 1x5m s SER 82 CO 0.04 -0.56 0.32 0.58 0.41 0.00 0.00 173.24 174.03 1x5m h VAL 83 N 4.14 0.00 0.00 3.43 2.07 -1.87 -0.16 116.25 123.86 1x5m h VAL 83 Ca -0.43 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1x5m h VAL 83 Cb 1.21 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1x5m h VAL 83 CO 0.82 0.00 0.01 -0.62 0.02 0.00 0.00 177.57 177.80 1x5m n GLU 84 N -2.06 0.12 0.04 1.57 1.02 -1.26 0.32 120.64 120.38 1x5m n GLU 84 Ca -0.00 0.62 0.11 0.00 -0.02 0.00 0.00 57.16 57.87 1x5m n GLU 84 Cb 0.00 -1.90 0.01 0.00 -0.02 0.00 0.00 31.44 29.53 1x5m n GLU 84 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x5m n GLY 85 N -1.32 -1.24 3.91 0.62 0.00 -1.23 -4.93 105.19 100.99 1x5m n GLY 85 Ca -0.01 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 1x5m n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5m s SER 86 N -4.26 5.43 0.16 1.61 0.01 0.15 -4.43 113.70 112.37 1x5m s SER 86 Ca 0.02 0.84 -0.21 0.00 1.31 0.00 0.00 55.95 57.91 1x5m s SER 86 Cb 0.13 -1.72 0.06 0.00 0.21 0.00 0.00 66.02 64.70 1x5m s SER 86 CO 0.81 -1.25 0.55 -0.44 0.41 0.00 0.00 173.24 173.33 1x5m s SER 87 N -4.35 -0.46 0.02 2.44 0.01 -1.13 -4.92 113.70 105.30 1x5m s SER 87 Ca 0.56 -0.13 0.07 0.00 1.31 0.00 0.00 55.95 57.76 1x5m s SER 87 Cb -0.11 0.58 -0.03 0.00 0.21 0.00 0.00 66.02 66.67 1x5m s SER 87 CO 0.48 -0.97 -0.20 -0.75 0.41 0.00 0.00 173.24 172.21 1x5m s LYS 88 N -3.78 2.12 0.13 12.44 2.36 -1.26 -1.26 119.74 130.48 1x5m s LYS 88 Ca 0.02 -0.94 0.02 0.00 -2.55 0.00 0.00 55.97 52.53 1x5m s LYS 88 Cb -0.01 -2.17 -0.04 0.00 -1.05 0.00 0.00 37.83 34.56 1x5m s LYS 88 CO -0.11 0.55 -0.05 0.15 1.55 0.00 0.00 175.35 177.44 1x5m s LYS 89 N -1.17 0.95 -0.02 4.03 1.02 -0.42 -4.93 119.74 119.21 1x5m s LYS 89 Ca 0.13 -1.41 0.02 0.00 0.02 0.00 0.00 55.97 54.72 1x5m s LYS 89 Cb -0.10 -0.29 0.01 0.00 -0.52 0.00 0.00 37.83 36.92 1x5m s LYS 89 CO 0.03 -0.04 -0.05 0.08 -0.92 0.00 0.00 175.35 174.45 1x5m s VAL 90 N -3.59 0.50 0.45 3.17 1.01 -1.26 0.22 120.40 120.90 1x5m s VAL 90 Ca 0.16 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.98 1x5m s VAL 90 Cb 0.05 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 1x5m s VAL 90 CO -0.01 0.17 0.02 -1.59 0.00 0.00 0.00 175.10 173.69 1x5m s LYS 91 N 0.29 2.04 -0.13 2.72 -2.85 0.55 -4.82 119.74 117.54 1x5m s LYS 91 Ca -0.03 -2.24 -0.35 0.00 -1.00 0.00 0.00 55.97 52.35 1x5m s LYS 91 Cb -0.07 -1.40 -0.12 0.00 -2.06 0.00 0.00 37.83 34.17 1x5m s LYS 91 CO -0.00 -0.26 1.89 2.41 0.10 0.00 0.00 175.35 179.50 1x5m n THR 92 N -1.07 0.54 -3.35 3.79 -1.04 -1.26 -0.61 114.28 111.27 1x5m n THR 92 Ca -0.11 -0.11 -0.21 0.00 -2.04 0.00 0.00 64.05 61.57 1x5m n THR 92 Cb 0.67 -1.82 -0.02 0.00 -1.82 0.00 0.00 70.33 67.34 1x5m n THR 92 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1x5m n ASP 93 N 6.79 -2.58 -3.63 8.00 5.68 -1.26 -4.87 116.55 124.68 1x5m n ASP 93 Ca 0.24 -0.32 -0.15 0.00 -0.50 0.00 0.00 54.79 54.06 1x5m n ASP 93 Cb 0.28 -2.20 -0.08 0.00 -1.14 0.00 0.00 41.12 37.98 1x5m n ASP 93 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1x5m s THR 94 N -2.74 0.01 -0.16 2.12 2.01 0.22 -1.41 115.64 115.70 1x5m s THR 94 Ca 0.37 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 62.28 1x5m s THR 94 Cb -0.21 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 1x5m s THR 94 CO 0.45 -0.05 -0.13 0.54 -0.69 0.00 0.00 174.62 174.75 1x5m s VAL 95 N -0.53 2.91 0.10 3.82 0.11 -0.56 0.20 120.40 126.45 1x5m s VAL 95 Ca -0.06 -0.69 -0.06 0.00 -2.93 0.00 0.00 61.98 58.24 1x5m s VAL 95 Cb -0.03 -2.24 -0.05 0.00 -1.53 0.00 0.00 36.38 32.53 1x5m s VAL 95 CO 0.05 0.51 0.35 -0.76 -3.33 0.00 0.00 175.10 171.91 1x5m s LEU 96 N 0.75 4.31 -0.35 2.54 1.43 0.61 -2.13 118.68 125.84 1x5m s LEU 96 Ca -0.05 0.61 -0.00 0.00 -1.03 0.00 0.00 54.13 53.65 1x5m s LEU 96 Cb -0.15 -3.10 0.14 0.00 0.03 0.00 0.00 46.19 43.11 1x5m s LEU 96 CO 0.01 0.12 0.22 -0.63 0.23 0.00 0.00 176.35 176.30 1x5m s ILE 97 N -1.52 0.07 0.08 -0.59 -1.09 -0.85 -1.30 121.20 116.00 1x5m s ILE 97 Ca 0.36 -1.54 -0.30 0.00 -2.23 0.00 0.00 60.65 56.94 1x5m s ILE 97 Cb -0.13 -1.06 -0.05 0.00 -1.58 0.00 0.00 42.46 39.63 1x5m s ILE 97 CO 0.22 -0.93 1.08 -0.76 -1.23 0.00 0.00 174.94 173.31 1x5m s LEU 98 N 1.22 4.42 -0.30 2.97 1.43 -0.39 -1.54 118.68 126.49 1x5m s LEU 98 Ca 0.17 1.91 0.02 0.00 -1.03 0.00 0.00 54.13 55.19 1x5m s LEU 98 Cb -0.22 -3.58 0.07 0.00 0.03 0.00 0.00 46.19 42.49 1x5m s LEU 98 CO -0.03 -0.28 -0.02 0.00 0.23 0.00 0.00 176.35 176.24 1x5m n ARG 100 N 4.44 1.30 -1.75 0.00 3.00 -1.26 -1.62 116.66 120.77 1x5m n ARG 100 Ca -0.08 0.19 -0.42 0.00 -0.00 0.00 0.00 57.85 57.54 1x5m n ARG 100 Cb 0.42 -3.22 -0.02 0.00 0.00 0.00 0.00 32.46 29.64 1x5m n ARG 100 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1x5m s LYS 101 N 7.55 4.11 0.18 -0.14 1.02 -1.26 0.24 119.74 131.45 1x5m s LYS 101 Ca 1.02 2.60 -0.04 0.00 0.02 0.00 0.00 55.97 59.57 1x5m s LYS 101 Cb -0.33 -3.03 0.09 0.00 -0.52 0.00 0.00 37.83 34.05 1x5m s LYS 101 CO 0.32 -0.67 1.50 -0.22 -0.92 0.00 0.00 175.35 175.36 1x5m h LYS 102 N 5.30 0.61 -3.01 1.68 3.64 -1.84 -3.41 116.57 119.54 1x5m h LYS 102 Ca -0.46 -0.37 -0.26 0.00 -1.27 0.00 0.00 60.65 58.29 1x5m h LYS 102 Cb 1.22 0.04 -0.34 0.00 -0.41 0.00 0.00 32.23 32.73 1x5m h LYS 102 CO 0.83 0.99 -0.59 0.54 -2.27 0.00 0.00 179.45 178.95 1x5m s VAL 103 N -4.06 -0.29 1.14 2.00 0.11 -1.26 -4.98 120.40 113.06 1x5m s VAL 103 Ca -0.08 0.31 -0.16 0.00 -2.93 0.00 0.00 61.98 59.12 1x5m s VAL 103 Cb 0.11 -0.35 0.26 0.00 -1.53 0.00 0.00 36.38 34.87 1x5m s VAL 103 CO 0.85 0.13 1.07 -1.61 -3.33 0.00 0.00 175.10 172.21 1x5m s GLU 104 N 2.20 -0.75 -1.12 1.54 8.01 -1.26 -4.17 118.70 123.15 1x5m s GLU 104 Ca 0.01 0.29 -0.00 0.00 0.01 0.00 0.00 54.97 55.27 1x5m s GLU 104 Cb -0.12 -1.62 0.00 0.00 -4.31 0.00 0.00 34.13 28.08 1x5m s GLU 104 CO -0.07 -3.47 0.94 0.09 0.01 0.00 0.00 175.26 172.76 1x5m n ASN 105 N -4.65 -2.21 -3.74 -0.19 3.02 -1.26 -4.89 115.26 101.33 1x5m n ASN 105 Ca 0.08 -0.57 -0.16 0.00 -0.03 0.00 0.00 54.58 53.90 1x5m n ASN 105 Cb 0.58 -4.79 -0.16 0.00 -0.61 0.00 0.00 39.78 34.80 1x5m n ASN 105 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1x5m s THR 106 N -3.33 -0.08 0.38 3.41 2.01 -1.26 -5.07 115.64 111.70 1x5m s THR 106 Ca 0.02 0.26 -0.11 0.00 0.31 0.00 0.00 61.69 62.17 1x5m s THR 106 Cb -0.01 -0.13 -0.07 0.00 0.01 0.00 0.00 72.50 72.30 1x5m s THR 106 CO 0.68 0.11 0.75 -0.60 -0.69 0.00 0.00 174.62 174.86 1x5m s ARG 107 N 1.35 3.81 -0.48 4.92 3.52 -1.26 -4.58 118.95 126.23 1x5m s ARG 107 Ca -0.06 0.48 0.03 0.00 -0.13 0.00 0.00 55.73 56.05 1x5m s ARG 107 Cb -0.13 -2.42 0.13 0.00 -1.56 0.00 0.00 34.95 30.98 1x5m s ARG 107 CO -0.04 0.02 0.24 -1.58 -0.81 0.00 0.00 175.30 173.13 1x5m s TRP 108 N -2.27 2.94 0.65 5.12 0.52 -1.26 -4.93 118.94 119.71 1x5m s TRP 108 Ca 0.51 -2.98 0.32 0.00 0.02 0.00 0.00 56.10 53.98 1x5m s TRP 108 Cb -0.10 -2.61 1.77 0.00 -1.15 0.00 0.00 33.47 31.38 1x5m s TRP 108 CO 0.28 -0.77 2.03 -0.44 0.02 0.00 0.00 176.95 178.07 1x5m h ASP 109 N 6.66 0.00 -4.85 2.95 5.19 -1.96 -3.42 116.42 120.99 1x5m h ASP 109 Ca -0.06 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1x5m h ASP 109 Cb 0.91 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 40.26 1x5m h ASP 109 CO 0.63 0.00 0.29 -0.31 -3.12 0.00 0.00 179.24 176.72 1x5m s TYR 110 N -4.23 -0.53 0.24 4.55 2.02 -1.26 -4.98 117.35 113.15 1x5m s TYR 110 Ca -0.04 0.61 -0.07 0.00 -0.37 0.00 0.00 57.07 57.20 1x5m s TYR 110 Cb 0.11 0.49 0.23 0.00 -0.40 0.00 0.00 41.96 42.39 1x5m s TYR 110 CO 0.36 -0.67 1.90 1.25 -1.57 0.00 0.00 175.55 176.83 1x5m h LEU 111 N 2.39 1.10 -9.20 -1.29 6.46 -1.95 -3.38 115.31 109.44 1x5m h LEU 111 Ca -0.28 -0.05 -0.46 0.00 -0.12 0.00 0.00 57.88 56.97 1x5m h LEU 111 Cb 1.23 -0.28 -0.14 0.00 -0.73 0.00 0.00 40.66 40.74 1x5m h LEU 111 CO 0.36 0.82 -0.59 0.42 -0.62 0.00 0.00 178.44 178.83 1x5m s THR 112 N -6.04 0.99 -0.38 1.05 -4.23 -1.26 -3.01 115.64 102.75 1x5m s THR 112 Ca -0.13 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.63 1x5m s THR 112 Cb 0.17 -2.70 0.34 0.00 1.34 0.00 0.00 72.50 71.66 1x5m s THR 112 CO 0.82 0.00 1.68 1.56 -0.54 0.00 0.00 174.62 178.14 1x5m h GLN 113 N 2.11 0.00 0.63 3.99 4.20 -1.72 -3.31 115.11 121.00 1x5m h GLN 113 Ca -0.40 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.28 1x5m h GLN 113 Cb 1.25 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.04 1x5m h GLN 113 CO 0.66 0.00 -0.30 0.28 -0.67 0.00 0.00 178.83 178.80 1x5m h VAL 114 N 0.00 0.00 -1.47 -0.54 2.07 -1.89 -1.13 116.25 113.29 1x5m h VAL 114 Ca 0.00 -0.20 0.44 0.00 0.82 0.00 0.00 66.70 67.76 1x5m h VAL 114 Cb 0.89 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.57 1x5m h VAL 114 CO 0.00 0.00 1.01 -0.08 0.02 0.00 0.00 177.57 178.52 1x5m h GLU 115 N -1.04 0.07 -0.00 1.57 4.81 -1.96 1.67 114.58 119.69 1x5m h GLU 115 Ca -0.09 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1x5m h GLU 115 Cb 0.65 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1x5m h GLU 115 CO 0.14 0.04 -0.00 -0.22 -0.73 0.00 0.00 179.01 178.24 1x5m h LYS 116 N 0.07 0.01 0.00 1.92 3.64 -1.59 0.60 116.57 121.21 1x5m h LYS 116 Ca 0.78 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.16 1x5m h LYS 116 Cb 2.78 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.60 1x5m h LYS 116 CO -0.19 0.57 0.00 1.05 -2.27 0.00 0.00 179.45 178.61 1x5m h GLU 117 N -0.56 0.00 0.00 1.90 4.11 0.22 -1.38 114.58 118.87 1x5m h GLU 117 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1x5m h GLU 117 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1x5m h GLU 117 CO 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 179.01 178.96 1x5m h LYS 119 N -0.42 -0.34 0.00 0.00 1.79 0.15 -3.45 116.57 114.30 1x5m h LYS 119 Ca 0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1x5m h LYS 119 Cb 0.12 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1x5m h LYS 119 CO 0.00 -0.23 0.00 0.39 -1.08 0.00 0.00 179.45 178.53 1x5m n GLU 120 N -4.82 1.88 -2.80 3.15 1.02 -0.52 -5.04 120.64 113.51 1x5m n GLU 120 Ca -0.03 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.09 1x5m n GLU 120 Cb 0.28 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.68 1x5m n GLU 120 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1x5m n LYS 121 N 0.00 -3.11 0.08 3.49 0.00 -1.25 -3.91 118.16 113.46 1x5m n LYS 121 Ca 0.00 2.52 0.00 0.00 0.00 0.00 0.00 58.31 60.83 1x5m n LYS 121 Cb 0.00 -4.02 0.00 0.00 0.00 0.00 0.00 35.03 31.01 1x5m n LYS 121 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1x5m n SER 122 N 1.38 0.23 0.00 3.14 3.41 -1.26 -4.65 113.62 115.86 1x5m n SER 122 Ca -0.14 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1x5m n SER 122 Cb 0.30 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1x5m n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5m n GLY 123 N 2.22 3.59 2.54 5.00 0.00 -1.26 -4.99 105.19 112.28 1x5m n GLY 123 Ca 0.00 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 1x5m n GLY 123 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5m n PRO 124 N -1.21 2.70 -1.80 1.61 -0.04 -1.26 -4.82 135.00 130.19 1x5m n PRO 124 Ca 0.00 -1.83 -0.36 0.00 -0.04 0.00 0.00 63.50 61.27 1x5m n PRO 124 Cb 0.00 -2.66 -0.05 0.00 -0.04 0.00 0.00 33.50 30.75 1x5m n PRO 124 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5m n SER 125 N 4.28 3.19 -4.57 3.54 2.88 -1.26 -4.89 113.62 116.80 1x5m n SER 125 Ca 0.58 -2.73 -0.43 0.00 -1.33 0.00 0.00 58.87 54.96 1x5m n SER 125 Cb 0.20 -1.52 -0.04 0.00 -0.75 0.00 0.00 64.21 62.09 1x5m n SER 125 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x5m s SER 126 N 5.44 6.50 0.00 -3.46 0.01 -1.26 -5.27 113.70 115.66 1x5m s SER 126 Ca 0.61 0.12 0.00 0.00 1.31 0.00 0.00 55.95 58.00 1x5m s SER 126 Cb 0.06 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1x5m s SER 126 CO 0.11 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.33