#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5m s SER 2 N 0.00 -0.03 -0.29 1.61 1.04 -1.26 -5.18 113.70 109.59 1x5m s SER 2 Ca 0.00 -0.00 -0.25 0.00 0.48 0.00 0.00 55.95 56.18 1x5m s SER 2 Cb 0.00 0.03 0.17 0.00 0.10 0.00 0.00 66.02 66.32 1x5m s SER 2 CO 0.00 -0.05 1.30 -0.55 0.98 0.00 0.00 173.24 174.92 1x5m s SER 3 N -2.10 -0.19 0.00 7.02 0.15 -1.26 -5.17 113.70 112.16 1x5m s SER 3 Ca 0.12 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.12 1x5m s SER 3 Cb -0.00 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1x5m s SER 3 CO -0.03 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1x5m n GLY 4 N 1.84 -1.66 0.88 9.45 0.00 -1.26 -5.05 105.19 109.40 1x5m n GLY 4 Ca -0.11 -0.90 -0.02 0.00 0.00 0.00 0.00 46.02 44.99 1x5m n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5m n SER 5 N 0.00 1.17 0.00 1.61 7.64 -1.26 -5.05 113.62 117.73 1x5m n SER 5 Ca 0.00 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1x5m n SER 5 Cb 0.00 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1x5m n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x5m n SER 6 N -3.62 0.00 -1.68 6.43 7.64 -1.26 -5.14 113.62 115.99 1x5m n SER 6 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1x5m n SER 6 Cb 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1x5m n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5m n GLY 7 N 0.00 -4.44 3.08 0.23 0.00 -1.26 -5.00 105.19 97.81 1x5m n GLY 7 Ca 0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 1x5m n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5m s VAL 8 N -4.58 1.01 -0.15 1.61 0.11 -1.26 -5.13 120.40 112.01 1x5m s VAL 8 Ca 0.00 -0.54 -0.05 0.00 -2.93 0.00 0.00 61.98 58.46 1x5m s VAL 8 Cb 0.00 -0.85 -0.03 0.00 -1.53 0.00 0.00 36.38 33.97 1x5m s VAL 8 CO 0.00 0.29 0.02 0.54 -3.33 0.00 0.00 175.10 172.62 1x5m s VAL 9 N -0.26 4.41 -0.11 2.04 0.11 -1.26 -5.09 120.40 120.24 1x5m s VAL 9 Ca 0.04 -0.18 -0.00 0.00 -2.93 0.00 0.00 61.98 58.91 1x5m s VAL 9 Cb -0.05 -2.94 0.02 0.00 -1.53 0.00 0.00 36.38 31.88 1x5m s VAL 9 CO -0.00 0.51 -0.07 0.00 -3.33 0.00 0.00 175.10 172.20 1x5m s ALA 10 N 0.07 1.25 1.12 1.54 0.00 -1.26 -5.14 121.76 119.34 1x5m s ALA 10 Ca 0.03 -0.49 -0.19 0.00 0.00 0.00 0.00 51.96 51.31 1x5m s ALA 10 Cb -0.13 -0.87 0.27 0.00 0.00 0.00 0.00 23.12 22.39 1x5m s ALA 10 CO 0.02 -0.39 1.24 -0.35 0.00 0.00 0.00 175.76 176.27 1x5m n PRO 11 N 4.90 -2.23 -1.80 0.00 -0.04 -1.26 -4.89 135.00 129.69 1x5m n PRO 11 Ca -0.13 -1.94 -0.38 0.00 -0.04 0.00 0.00 63.50 61.01 1x5m n PRO 11 Cb 0.50 -1.53 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 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 -3.51 3.19 -0.18 0.52 -5.25 -1.26 -4.92 121.20 109.80 1x5m s ILE 12 Ca 0.75 0.13 0.00 0.00 -0.99 0.00 0.00 60.65 60.54 1x5m s ILE 12 Cb -0.04 -3.44 0.04 0.00 2.95 0.00 0.00 42.46 41.97 1x5m s ILE 12 CO 0.55 -0.40 -0.09 0.42 -1.79 0.00 0.00 174.94 173.63 1x5m s THR 13 N 10.11 1.46 0.00 8.37 -4.23 -1.26 -5.08 115.64 125.01 1x5m s THR 13 Ca 0.84 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1x5m s THR 13 Cb -0.17 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.12 1x5m s THR 13 CO 0.26 0.18 0.00 0.35 -0.54 0.00 0.00 174.62 174.87 1x5m n THR 14 N 4.76 0.00 0.00 3.99 -2.24 -1.26 -4.90 114.28 114.63 1x5m n THR 14 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1x5m n THR 14 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 3.21 3.70 3.38 0.00 -1.26 -5.03 105.19 109.19 1x5m n GLY 15 Ca 0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 46.02 44.95 1x5m n GLY 15 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x5m s TYR 16 N -0.06 -0.06 0.02 1.61 1.13 -1.26 -5.18 117.35 113.54 1x5m s TYR 16 Ca 0.00 -0.13 0.00 0.00 -1.41 0.00 0.00 57.07 55.53 1x5m s TYR 16 Cb 0.00 0.59 -0.02 0.00 -1.10 0.00 0.00 41.96 41.44 1x5m s TYR 16 CO 0.00 -0.53 -0.03 0.99 -2.51 0.00 0.00 175.55 173.47 1x5m s THR 17 N -2.72 0.17 0.56 -3.49 2.01 -1.26 -4.55 115.64 106.36 1x5m s THR 17 Ca 0.15 -0.69 -0.16 0.00 0.31 0.00 0.00 61.69 61.30 1x5m s THR 17 Cb 0.02 -0.26 -0.05 0.00 0.01 0.00 0.00 72.50 72.21 1x5m s THR 17 CO -0.01 -0.33 1.03 -0.69 -0.69 0.00 0.00 174.62 173.93 1x5m s VAL 18 N -1.04 4.13 -0.26 3.82 1.01 0.54 -4.77 120.40 123.83 1x5m s VAL 18 Ca -0.10 1.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.80 1x5m s VAL 18 Cb -0.07 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1x5m s VAL 18 CO -0.01 -0.60 0.08 -0.75 0.00 0.00 0.00 175.10 173.82 1x5m s LYS 19 N -4.12 3.55 -0.47 2.72 2.20 -1.26 0.19 119.74 122.55 1x5m s LYS 19 Ca 0.61 -0.55 -0.29 0.00 -0.36 0.00 0.00 55.97 55.39 1x5m s LYS 19 Cb -0.13 -3.35 0.02 0.00 -1.51 0.00 0.00 37.83 32.85 1x5m s LYS 19 CO 0.35 -0.24 1.36 0.42 -0.36 0.00 0.00 175.35 176.88 1x5m s ILE 20 N 1.60 3.93 -0.11 5.43 1.01 -0.36 -4.86 121.20 127.83 1x5m s ILE 20 Ca 0.06 0.91 -0.08 0.00 0.00 0.00 0.00 60.65 61.54 1x5m s ILE 20 Cb -0.16 -4.35 -0.03 0.00 0.01 0.00 0.00 42.46 37.94 1x5m s ILE 20 CO 0.04 -0.93 -0.15 -1.20 0.00 0.00 0.00 174.94 172.70 1x5m n SER 21 N 8.85 1.43 -4.65 3.58 7.64 -1.26 -4.85 113.62 124.36 1x5m n SER 21 Ca 0.14 0.54 -0.42 0.00 1.01 0.00 0.00 58.87 60.14 1x5m n SER 21 Cb 0.49 -0.79 -0.03 0.00 -1.01 0.00 0.00 64.21 62.87 1x5m n SER 21 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1x5m s ASN 22 N -5.28 6.94 -0.15 6.43 2.47 -1.26 -5.01 114.94 119.09 1x5m s ASN 22 Ca -0.12 1.17 -0.07 0.00 0.42 0.00 0.00 52.86 54.25 1x5m s ASN 22 Cb 0.02 -2.48 0.06 0.00 -1.45 0.00 0.00 41.25 37.39 1x5m s ASN 22 CO 0.18 -0.59 0.34 -0.72 -3.72 0.00 0.00 177.10 172.59 1x5m s TYR 23 N 3.01 -0.51 0.26 0.43 -0.85 -1.26 -4.72 117.35 113.71 1x5m s TYR 23 Ca 0.39 1.11 -0.29 0.00 -0.52 0.00 0.00 57.07 57.76 1x5m s TYR 23 Cb -0.15 0.17 -0.09 0.00 0.38 0.00 0.00 41.96 42.27 1x5m s TYR 23 CO 0.07 -0.32 0.98 0.20 -1.52 0.00 0.00 175.55 174.96 1x5m s GLY 24 N 1.56 3.07 -0.01 5.49 0.00 -0.49 -4.95 107.32 112.00 1x5m s GLY 24 Ca -0.08 0.68 -0.07 0.00 0.00 0.00 0.00 44.72 45.26 1x5m s GLY 24 CO -0.11 1.25 0.13 0.66 0.00 0.00 0.00 173.10 175.03 1x5m s TRP 25 N -1.22 0.02 -0.02 1.90 1.48 -1.26 0.11 118.94 119.94 1x5m s TRP 25 Ca 0.43 -0.06 -0.07 0.00 -1.06 0.00 0.00 56.10 55.34 1x5m s TRP 25 Cb -0.27 -0.04 0.01 0.00 -1.16 0.00 0.00 33.47 32.01 1x5m s TRP 25 CO 0.34 -0.25 0.15 -0.51 -4.06 0.00 0.00 176.95 172.62 1x5m s ASP 26 N -1.15 -0.05 0.03 -2.66 1.11 -0.41 -4.93 116.67 108.61 1x5m s ASP 26 Ca -0.12 -0.01 0.05 0.00 0.18 0.00 0.00 52.55 52.65 1x5m s ASP 26 Cb -0.07 0.26 -0.02 0.00 1.07 0.00 0.00 42.92 44.16 1x5m s ASP 26 CO 0.01 -0.26 -0.16 0.00 1.18 0.00 0.00 175.17 175.94 1x5m s GLN 27 N -0.87 1.07 0.03 8.23 0.00 -1.26 -2.14 119.66 124.72 1x5m s GLN 27 Ca -0.10 -0.76 -0.01 0.00 -0.00 0.00 0.00 55.36 54.50 1x5m s GLN 27 Cb -0.05 -1.10 -0.02 0.00 0.00 0.00 0.00 33.01 31.83 1x5m s GLN 27 CO 0.01 0.28 -0.02 -1.12 0.00 0.00 0.00 175.29 174.44 1x5m s SER 28 N -1.01 0.28 -0.96 12.60 0.01 -1.01 -4.99 113.70 118.61 1x5m s SER 28 Ca 0.04 -0.59 -0.26 0.00 1.31 0.00 0.00 55.95 56.45 1x5m s SER 28 Cb -0.08 0.13 -0.20 0.00 0.21 0.00 0.00 66.02 66.08 1x5m s SER 28 CO 0.01 -0.37 1.98 0.47 0.41 0.00 0.00 173.24 175.74 1x5m n ASP 29 N 1.27 1.94 0.00 2.44 9.92 -1.26 -2.06 116.55 128.79 1x5m n ASP 29 Ca -0.22 -2.57 0.00 0.00 -0.53 0.00 0.00 54.79 51.47 1x5m n ASP 29 Cb 0.56 -1.53 0.00 0.00 -0.64 0.00 0.00 41.12 39.51 1x5m n ASP 29 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1x5m n LYS 30 N 8.08 0.00 -3.79 -1.24 5.02 -1.26 -4.45 118.16 120.51 1x5m n LYS 30 Ca 0.44 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.64 1x5m n LYS 30 Cb 0.46 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.43 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 -0.06 -0.02 2.13 0.08 -0.87 -4.10 117.98 115.13 1x5m s PHE 31 Ca 0.00 -0.30 0.04 0.00 0.12 0.00 0.00 56.93 56.79 1x5m s PHE 31 Cb 0.00 0.41 -0.03 0.00 -0.57 0.00 0.00 43.02 42.83 1x5m s PHE 31 CO 0.00 -0.97 -0.12 0.08 -0.10 0.00 0.00 175.22 174.11 1x5m s VAL 32 N -3.90 3.24 -0.00 -0.44 1.01 -0.07 -2.41 120.40 117.84 1x5m s VAL 32 Ca 0.11 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 1x5m s VAL 32 Cb -0.02 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 34.04 1x5m s VAL 32 CO 0.00 0.50 0.18 -0.75 0.00 0.00 0.00 175.10 175.02 1x5m s LYS 33 N -1.05 0.52 0.09 2.72 2.20 -0.91 0.85 119.74 124.16 1x5m s LYS 33 Ca 0.14 -0.35 0.08 0.00 -0.36 0.00 0.00 55.97 55.48 1x5m s LYS 33 Cb -0.11 0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 36.40 1x5m s LYS 33 CO 0.03 -0.13 -0.22 0.42 -0.36 0.00 0.00 175.35 175.09 1x5m s ILE 34 N -1.36 1.79 -0.24 5.43 1.09 -0.98 -1.28 121.20 125.65 1x5m s ILE 34 Ca -0.14 -1.47 -0.02 0.00 -1.10 0.00 0.00 60.65 57.91 1x5m s ILE 34 Cb -0.07 -1.60 0.07 0.00 -1.06 0.00 0.00 42.46 39.81 1x5m s ILE 34 CO 0.02 0.05 0.05 -0.31 -0.10 0.00 0.00 174.94 174.65 1x5m s TYR 35 N -1.04 1.29 0.03 3.97 1.51 0.30 -2.08 117.35 121.34 1x5m s TYR 35 Ca 0.08 -1.19 0.01 0.00 -1.01 0.00 0.00 57.07 54.95 1x5m s TYR 35 Cb -0.10 -1.27 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 1x5m s TYR 35 CO 0.04 -0.72 0.10 0.42 -1.11 0.00 0.00 175.55 174.28 1x5m s ILE 36 N 1.76 4.79 -0.52 2.71 1.09 -0.91 -1.39 121.20 128.73 1x5m s ILE 36 Ca 0.02 -0.50 -0.20 0.00 -1.10 0.00 0.00 60.65 58.87 1x5m s ILE 36 Cb -0.17 -3.25 0.06 0.00 -1.06 0.00 0.00 42.46 38.04 1x5m s ILE 36 CO -0.15 0.25 0.67 -0.89 -0.10 0.00 0.00 174.94 174.73 1x5m s THR 37 N -1.30 4.80 -0.27 2.92 2.01 -1.26 -1.72 115.64 120.82 1x5m s THR 37 Ca 0.27 -0.46 -0.03 0.00 0.31 0.00 0.00 61.69 61.78 1x5m s THR 37 Cb -0.12 -4.35 0.09 0.00 0.01 0.00 0.00 72.50 68.13 1x5m s THR 37 CO 0.18 -0.89 0.10 -0.22 -0.69 0.00 0.00 174.62 173.11 1x5m s LEU 38 N 2.81 1.12 -0.50 4.42 1.98 0.26 -4.96 118.68 123.81 1x5m s LEU 38 Ca 0.16 -1.27 -0.29 0.00 -2.89 0.00 0.00 54.13 49.84 1x5m s LEU 38 Cb -0.19 -0.53 0.02 0.00 0.66 0.00 0.00 46.19 46.15 1x5m s LEU 38 CO 0.12 -0.41 1.28 -0.89 -1.89 0.00 0.00 176.35 174.57 1x5m s THR 39 N 1.93 3.99 0.00 3.68 2.01 -1.24 -2.78 115.64 123.23 1x5m s THR 39 Ca 0.07 0.96 0.00 0.00 0.31 0.00 0.00 61.69 63.03 1x5m s THR 39 Cb -0.17 -4.48 0.00 0.00 0.01 0.00 0.00 72.50 67.86 1x5m s THR 39 CO -0.27 -1.04 0.00 0.61 -0.69 0.00 0.00 174.62 173.23 1x5m n GLY 40 N 5.05 1.24 0.34 4.40 0.00 -1.26 -4.62 105.19 110.34 1x5m n GLY 40 Ca 0.13 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.34 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 0.03 -0.08 1.61 3.04 -1.88 1.48 116.25 120.46 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 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 30.13 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 -3.04 0.09 0.01 3.17 1.44 -1.26 -3.53 115.22 112.09 1x5m n HIS 42 Ca -0.02 -0.04 0.06 0.00 -2.01 0.00 0.00 57.72 55.70 1x5m n HIS 42 Cb 0.22 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.23 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 0.22 0.45 -3.02 -1.40 6.02 0.50 -4.98 117.38 115.18 1x5m n GLN 43 Ca 0.18 -0.11 -0.32 0.00 -0.01 0.00 0.00 57.00 56.75 1x5m n GLN 43 Cb 0.34 -1.28 -0.05 0.00 1.02 0.00 0.00 30.24 30.27 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 -2.83 4.73 0.92 5.09 -7.23 -0.85 -5.07 120.40 115.16 1x5m s VAL 44 Ca -0.04 0.80 -0.12 0.00 -1.81 0.00 0.00 61.98 60.81 1x5m s VAL 44 Cb 0.08 -3.66 0.14 0.00 0.56 0.00 0.00 36.38 33.50 1x5m s VAL 44 CO 0.51 -0.33 1.14 -2.16 -0.31 0.00 0.00 175.10 173.95 1x5m s PRO 45 N -3.36 1.09 0.00 4.82 0.04 -1.26 -4.92 135.00 131.42 1x5m s PRO 45 Ca 0.53 0.26 0.22 0.00 0.04 0.00 0.00 61.00 62.05 1x5m s PRO 45 Cb -0.10 -1.84 1.17 0.00 0.04 0.00 0.00 34.50 33.78 1x5m s PRO 45 CO 0.23 -2.22 1.70 -2.37 0.04 0.00 0.00 177.00 174.38 1x5m n THR 46 N -3.78 0.22 0.11 1.26 5.66 -1.26 -2.29 114.28 114.20 1x5m n THR 46 Ca 0.07 0.05 0.03 0.00 -3.05 0.00 0.00 64.05 61.15 1x5m n THR 46 Cb 0.59 -0.70 -0.00 0.00 -1.55 0.00 0.00 70.33 68.67 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 0.00 0.00 1.09 4.11 -2.00 -3.27 114.58 114.51 1x5m h GLU 47 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.28 1x5m h GLU 47 Cb 0.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1x5m h GLU 47 CO 0.00 0.39 -1.33 -0.91 0.07 0.00 0.00 179.01 177.22 1x5m h ASN 48 N 0.00 0.00 -3.20 3.06 2.35 -1.76 -3.43 115.58 112.59 1x5m h ASN 48 Ca -0.05 0.00 -0.70 0.00 -0.55 0.00 0.00 56.30 54.99 1x5m h ASN 48 Cb 1.41 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.58 1x5m h ASN 48 CO 0.05 0.52 -0.05 -0.69 -1.65 0.00 0.00 177.43 175.61 1x5m s VAL 49 N -2.97 4.97 -0.28 2.81 1.01 -1.18 -1.04 120.40 123.74 1x5m s VAL 49 Ca -0.02 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1x5m s VAL 49 Cb 0.09 -4.29 0.05 0.00 0.00 0.00 0.00 36.38 32.23 1x5m s VAL 49 CO 0.81 -0.80 -0.04 -1.10 0.00 0.00 0.00 175.10 173.96 1x5m s GLN 50 N 2.34 2.50 -0.06 2.72 -0.21 -0.12 -4.84 119.66 121.99 1x5m s GLN 50 Ca 0.11 -1.21 0.03 0.00 0.02 0.00 0.00 55.36 54.31 1x5m s GLN 50 Cb -0.22 -3.07 0.01 0.00 1.00 0.00 0.00 33.01 30.74 1x5m s GLN 50 CO 0.09 -0.55 -0.13 0.54 -2.12 0.00 0.00 175.29 173.12 1x5m s VAL 51 N 1.24 1.18 -0.08 1.09 0.11 -1.26 0.17 120.40 122.85 1x5m s VAL 51 Ca -0.05 -0.52 0.05 0.00 -2.93 0.00 0.00 61.98 58.53 1x5m s VAL 51 Cb -0.19 -1.07 -0.00 0.00 -1.53 0.00 0.00 36.38 33.59 1x5m s VAL 51 CO -0.03 0.36 -0.24 -2.28 -3.33 0.00 0.00 175.10 169.59 1x5m s HIS 52 N 0.53 2.43 0.01 1.54 5.04 0.24 -4.95 115.29 120.12 1x5m s HIS 52 Ca -0.12 -0.86 -0.01 0.00 -1.54 0.00 0.00 55.06 52.52 1x5m s HIS 52 Cb -0.15 -1.61 -0.04 0.00 0.04 0.00 0.00 32.58 30.82 1x5m s HIS 52 CO 0.03 -0.31 0.17 -0.06 -2.34 0.00 0.00 174.74 172.23 1x5m s PHE 53 N 0.11 3.48 0.00 3.88 0.08 -1.26 -0.59 117.98 123.68 1x5m s PHE 53 Ca -0.11 0.29 0.00 0.00 0.12 0.00 0.00 56.93 57.23 1x5m s PHE 53 Cb -0.16 -1.79 0.00 0.00 -0.57 0.00 0.00 43.02 40.51 1x5m s PHE 53 CO 0.06 0.61 0.00 0.25 -0.10 0.00 0.00 175.22 176.04 1x5m n THR 54 N 0.80 0.00 0.04 0.64 -2.24 -0.50 -4.83 114.28 108.19 1x5m n THR 54 Ca -0.10 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.49 1x5m n THR 54 Cb 0.52 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.51 -1.47 -0.78 4.11 -1.96 -3.37 114.58 111.62 1x5m h GLU 55 Ca 0.00 -0.62 -0.42 0.00 0.07 0.00 0.00 59.36 58.39 1x5m h GLU 55 Cb 0.00 0.19 -0.40 0.00 0.50 0.00 0.00 28.75 29.05 1x5m h GLU 55 CO 0.00 1.24 -1.18 0.54 0.07 0.00 0.00 179.01 179.68 1x5m n ARG 56 N -4.02 1.06 0.00 1.06 5.12 -1.26 0.18 116.66 118.79 1x5m n ARG 56 Ca -0.12 -3.29 0.00 0.00 -1.93 0.00 0.00 57.85 52.51 1x5m n ARG 56 Cb 0.82 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.66 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 0.10 0.00 -3.60 0.55 3.41 -1.26 -2.58 113.62 110.24 1x5m n SER 57 Ca 0.17 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.76 1x5m n SER 57 Cb 0.74 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.63 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 -0.71 0.07 7.33 -0.12 -0.49 -1.41 117.98 120.65 1x5m s PHE 58 Ca 0.00 1.36 0.03 0.00 -0.05 0.00 0.00 56.93 58.27 1x5m s PHE 58 Cb 0.00 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 1x5m s PHE 58 CO 0.00 -0.35 0.03 0.16 -0.05 0.00 0.00 175.22 175.01 1x5m s ASP 59 N 1.70 5.26 -0.17 1.98 -4.77 0.24 -0.48 116.67 120.43 1x5m s ASP 59 Ca -0.08 -0.07 -0.04 0.00 -3.30 0.00 0.00 52.55 49.06 1x5m s ASP 59 Cb -0.05 -1.35 0.08 0.00 -1.09 0.00 0.00 42.92 40.52 1x5m s ASP 59 CO -0.16 0.20 0.24 -0.22 0.70 0.00 0.00 175.17 175.93 1x5m s LEU 60 N -2.19 -0.22 0.10 2.11 0.20 0.55 -0.60 118.68 118.64 1x5m s LEU 60 Ca 0.26 0.17 0.05 0.00 0.69 0.00 0.00 54.13 55.30 1x5m s LEU 60 Cb -0.12 0.55 -0.04 0.00 -0.43 0.00 0.00 46.19 46.15 1x5m s LEU 60 CO 0.18 -0.28 -0.01 -0.22 -0.29 0.00 0.00 176.35 175.73 1x5m s LEU 61 N 2.38 3.40 -0.25 -0.68 1.98 0.44 0.11 118.68 126.04 1x5m s LEU 61 Ca 0.05 -0.23 -0.03 0.00 -2.89 0.00 0.00 54.13 51.03 1x5m s LEU 61 Cb -0.14 -2.12 0.11 0.00 0.66 0.00 0.00 46.19 44.70 1x5m s LEU 61 CO -0.10 0.16 0.24 -0.69 -1.89 0.00 0.00 176.35 174.06 1x5m s VAL 62 N -1.36 -0.32 0.31 1.68 1.01 0.14 -0.95 120.40 120.91 1x5m s VAL 62 Ca 0.25 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.91 1x5m s VAL 62 Cb -0.11 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 1x5m s VAL 62 CO 0.18 -0.40 0.45 -0.54 0.00 0.00 0.00 175.10 174.79 1x5m s LYS 63 N 2.30 3.30 -0.03 2.72 1.02 -0.20 0.62 119.74 129.48 1x5m s LYS 63 Ca 0.08 -0.77 -0.02 0.00 0.02 0.00 0.00 55.97 55.28 1x5m s LYS 63 Cb -0.15 -2.81 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 1x5m s LYS 63 CO -0.25 0.20 0.04 -1.71 -0.92 0.00 0.00 175.35 172.72 1x5m n ASN 64 N -1.60 -6.19 0.00 2.83 2.85 -1.25 -4.77 115.26 107.14 1x5m n ASN 64 Ca -0.04 0.35 0.00 0.00 -0.11 0.00 0.00 54.58 54.77 1x5m n ASN 64 Cb 0.57 -1.50 0.00 0.00 1.24 0.00 0.00 39.78 40.10 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 1.16 0.00 -4.33 1.20 7.94 0.57 -4.78 117.00 118.76 1x5m n LEU 65 Ca -0.01 0.00 -0.45 0.00 -1.11 0.00 0.00 56.01 54.45 1x5m n LEU 65 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.44 1x5m n LEU 65 CO 0.03 0.00 0.92 -0.46 -1.11 0.00 0.00 177.39 176.77 1x5m n ASN 66 N 0.00 5.53 -0.56 1.96 0.23 -1.26 -4.48 115.26 116.68 1x5m n ASN 66 Ca 0.00 -3.05 -0.07 0.00 -0.53 0.00 0.00 54.58 50.92 1x5m n ASN 66 Cb 0.00 -1.40 -0.03 0.00 -2.08 0.00 0.00 39.78 36.26 1x5m n ASN 66 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1x5m n GLY 67 N 2.81 0.85 0.00 4.83 0.00 -1.26 -4.87 105.19 107.54 1x5m n GLY 67 Ca 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.56 0.00 -4.20 1.61 2.85 -1.26 -5.13 118.16 110.47 1x5m n LYS 68 Ca -0.07 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.02 1x5m n LYS 68 Cb 0.39 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.66 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 -0.83 1.69 0.08 -5.58 0.01 -1.26 0.21 113.70 108.01 1x5m s SER 69 Ca 0.00 -0.76 0.06 0.00 1.31 0.00 0.00 55.95 56.56 1x5m s SER 69 Cb 0.00 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.17 1x5m s SER 69 CO 0.00 -0.17 -0.16 -0.31 0.41 0.00 0.00 173.24 173.01 1x5m s TYR 70 N -2.02 1.37 0.01 2.43 1.51 0.20 0.20 117.35 121.05 1x5m s TYR 70 Ca 0.04 -0.44 0.02 0.00 -1.01 0.00 0.00 57.07 55.68 1x5m s TYR 70 Cb -0.06 -0.77 -0.01 0.00 -0.11 0.00 0.00 41.96 41.02 1x5m s TYR 70 CO 0.02 0.09 -0.06 -1.54 -1.11 0.00 0.00 175.55 172.95 1x5m s SER 71 N -1.74 0.66 -0.17 2.29 1.04 0.49 0.24 113.70 116.52 1x5m s SER 71 Ca 0.00 -0.21 -0.05 0.00 0.48 0.00 0.00 55.95 56.17 1x5m s SER 71 Cb -0.10 -0.04 0.08 0.00 0.10 0.00 0.00 66.02 66.07 1x5m s SER 71 CO 0.03 -0.01 0.32 -0.32 0.98 0.00 0.00 173.24 174.24 1x5m s MET 72 N -0.51 0.23 0.03 4.02 0.00 0.29 -1.23 119.30 122.13 1x5m s MET 72 Ca -0.01 0.78 0.03 0.00 0.00 0.00 0.00 55.69 56.49 1x5m s MET 72 Cb -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 34.83 34.73 1x5m s MET 72 CO -0.00 -0.34 -0.09 0.42 0.00 0.00 0.00 175.02 175.01 1x5m s ILE 73 N 2.49 0.71 -0.10 10.11 1.01 -1.26 0.20 121.20 134.36 1x5m s ILE 73 Ca 0.02 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1x5m s ILE 73 Cb -0.13 -0.68 0.02 0.00 0.01 0.00 0.00 42.46 41.69 1x5m s ILE 73 CO -0.11 -0.08 -0.10 0.68 0.00 0.00 0.00 174.94 175.34 1x5m s VAL 74 N -0.78 1.12 -0.08 2.92 -7.23 0.37 -4.98 120.40 111.74 1x5m s VAL 74 Ca -0.02 -0.38 0.05 0.00 -1.81 0.00 0.00 61.98 59.82 1x5m s VAL 74 Cb -0.07 -1.09 -0.01 0.00 0.56 0.00 0.00 36.38 35.77 1x5m s VAL 74 CO 0.00 0.38 -0.24 0.20 -0.31 0.00 0.00 175.10 175.13 1x5m s ASN 75 N 1.38 3.12 0.00 4.85 0.02 -1.26 -1.40 114.94 121.65 1x5m s ASN 75 Ca -0.01 -0.52 0.00 0.00 -1.02 0.00 0.00 52.86 51.31 1x5m s ASN 75 Cb -0.14 -1.08 0.00 0.00 0.02 0.00 0.00 41.25 40.06 1x5m s ASN 75 CO -0.05 0.21 0.00 0.59 0.02 0.00 0.00 177.10 177.87 1x5m n ASN 76 N 3.17 -1.84 -4.72 -1.22 3.02 -1.15 -4.71 115.26 107.83 1x5m n ASN 76 Ca -0.18 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 53.99 1x5m n ASN 76 Cb 0.52 -0.92 -0.06 0.00 -0.61 0.00 0.00 39.78 38.71 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 -0.62 4.26 0.28 3.41 1.43 -1.07 0.18 118.68 126.55 1x5m s LEU 77 Ca 0.00 0.74 0.02 0.00 -1.03 0.00 0.00 54.13 53.87 1x5m s LEU 77 Cb 0.00 -2.64 0.69 0.00 0.03 0.00 0.00 46.19 44.27 1x5m s LEU 77 CO 0.00 -0.00 1.39 -0.11 0.23 0.00 0.00 176.35 177.86 1x5m n LEU 78 N 3.77 -0.09 -4.33 1.79 7.94 -1.25 -4.31 117.00 120.52 1x5m n LEU 78 Ca -0.08 1.51 -0.18 0.00 -1.11 0.00 0.00 56.01 56.15 1x5m n LEU 78 Cb 0.52 -0.55 -0.10 0.00 0.53 0.00 0.00 43.42 43.81 1x5m n LEU 78 CO 0.42 -1.53 -0.43 -0.54 -1.11 0.00 0.00 177.39 174.20 1x5m s LYS 79 N -5.84 1.29 0.81 1.96 -0.14 -1.26 -4.82 119.74 111.73 1x5m s LYS 79 Ca -0.11 -1.57 -0.12 0.00 -1.36 0.00 0.00 55.97 52.81 1x5m s LYS 79 Cb 0.26 -1.03 0.07 0.00 -1.68 0.00 0.00 37.83 35.45 1x5m s LYS 79 CO 0.69 0.16 1.10 -1.25 -0.76 0.00 0.00 175.35 175.29 1x5m s PRO 80 N -3.67 2.02 -0.04 -1.68 0.04 -1.26 -4.80 135.00 125.62 1x5m s PRO 80 Ca 0.22 0.61 -0.09 0.00 0.04 0.00 0.00 61.00 61.78 1x5m s PRO 80 Cb 0.00 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.64 1x5m s PRO 80 CO 0.06 -1.66 0.21 0.96 0.04 0.00 0.00 177.00 176.61 1x5m s ILE 81 N -3.17 0.04 0.04 0.56 -5.25 0.48 -2.92 121.20 110.99 1x5m s ILE 81 Ca 0.61 -0.36 -0.30 0.00 -0.99 0.00 0.00 60.65 59.61 1x5m s ILE 81 Cb -0.14 -0.42 -0.04 0.00 2.95 0.00 0.00 42.46 44.80 1x5m s ILE 81 CO 0.54 -0.20 1.04 -0.55 -1.79 0.00 0.00 174.94 173.98 1x5m s SER 82 N -0.75 7.31 -0.01 4.36 0.15 -1.06 -4.02 113.70 119.67 1x5m s SER 82 Ca -0.08 1.79 -0.00 0.00 0.70 0.00 0.00 55.95 58.35 1x5m s SER 82 Cb -0.05 -2.58 -0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1x5m s SER 82 CO 0.02 -0.29 0.09 0.58 1.20 0.00 0.00 173.24 174.84 1x5m h VAL 83 N 4.57 0.00 -0.77 4.45 2.07 -1.88 0.38 116.25 125.07 1x5m h VAL 83 Ca -0.42 -0.12 0.22 0.00 0.82 0.00 0.00 66.70 67.21 1x5m h VAL 83 Cb 1.22 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1x5m h VAL 83 CO 0.76 0.00 0.89 -0.33 0.02 0.00 0.00 177.57 178.91 1x5m h GLU 84 N -0.14 0.00 0.00 1.57 5.08 -1.93 1.51 114.58 120.68 1x5m h GLU 84 Ca -0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 1x5m h GLU 84 Cb 0.01 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 1x5m h GLU 84 CO 0.00 0.00 -1.95 0.41 -1.00 0.00 0.00 179.01 176.47 1x5m n GLY 85 N -1.62 -0.97 3.74 -3.84 0.00 -1.24 -4.94 105.19 96.31 1x5m n GLY 85 Ca 0.16 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -5.94 4.77 0.11 1.61 0.01 0.52 -4.66 113.70 110.12 1x5m s SER 86 Ca -0.07 2.53 -0.06 0.00 1.31 0.00 0.00 55.95 59.65 1x5m s SER 86 Cb 0.07 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 1x5m s SER 86 CO 0.82 -1.89 0.16 -0.44 0.41 0.00 0.00 173.24 172.30 1x5m s SER 87 N -1.51 0.19 -0.00 2.44 0.01 -0.38 -4.91 113.70 109.54 1x5m s SER 87 Ca 0.80 -0.88 0.07 0.00 1.31 0.00 0.00 55.95 57.25 1x5m s SER 87 Cb -0.34 0.34 -0.02 0.00 0.21 0.00 0.00 66.02 66.20 1x5m s SER 87 CO 0.38 -0.76 -0.22 -1.59 0.41 0.00 0.00 173.24 171.46 1x5m s LYS 88 N -3.94 1.72 0.06 12.44 0.00 -1.26 -0.62 119.74 128.13 1x5m s LYS 88 Ca 0.13 -0.83 -0.01 0.00 0.00 0.00 0.00 55.97 55.26 1x5m s LYS 88 Cb 0.05 -1.70 -0.04 0.00 0.00 0.00 0.00 37.83 36.14 1x5m s LYS 88 CO -0.05 0.46 -0.04 0.15 0.00 0.00 0.00 175.35 175.87 1x5m s LYS 89 N -0.67 0.63 -0.05 1.78 1.02 -0.80 -4.91 119.74 116.73 1x5m s LYS 89 Ca 0.09 -1.20 0.00 0.00 0.02 0.00 0.00 55.97 54.87 1x5m s LYS 89 Cb -0.09 0.14 0.02 0.00 -0.52 0.00 0.00 37.83 37.39 1x5m s LYS 89 CO -0.00 -0.09 -0.03 0.08 -0.92 0.00 0.00 175.35 174.39 1x5m s VAL 90 N -3.73 0.48 0.54 3.17 1.01 -1.26 0.17 120.40 120.78 1x5m s VAL 90 Ca 0.06 -0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.07 1x5m s VAL 90 Cb 0.07 -0.55 0.04 0.00 0.00 0.00 0.00 36.38 35.93 1x5m s VAL 90 CO -0.09 0.24 0.49 -1.59 0.00 0.00 0.00 175.10 174.15 1x5m s LYS 91 N 1.27 2.30 0.03 2.72 -2.85 0.65 -4.86 119.74 118.99 1x5m s LYS 91 Ca -0.06 -1.88 -0.32 0.00 -1.00 0.00 0.00 55.97 52.72 1x5m s LYS 91 Cb -0.14 -2.25 -0.10 0.00 -2.06 0.00 0.00 37.83 33.28 1x5m s LYS 91 CO -0.02 -0.62 1.89 2.41 0.10 0.00 0.00 175.35 179.11 1x5m n THR 92 N -1.84 0.58 -2.45 3.79 -1.04 -1.26 -1.17 114.28 110.88 1x5m n THR 92 Ca 0.03 -0.10 -0.05 0.00 -2.04 0.00 0.00 64.05 61.88 1x5m n THR 92 Cb 0.63 -2.11 -0.00 0.00 -1.82 0.00 0.00 70.33 67.03 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 6.58 -2.20 -3.71 8.00 5.75 -1.25 -4.86 116.55 124.87 1x5m n ASP 93 Ca 0.20 0.37 -0.14 0.00 -0.01 0.00 0.00 54.79 55.21 1x5m n ASP 93 Cb 0.36 -1.96 -0.09 0.00 -1.03 0.00 0.00 41.12 38.40 1x5m n ASP 93 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1x5m s THR 94 N -2.24 0.01 -0.14 2.12 2.01 -0.32 -0.57 115.64 116.50 1x5m s THR 94 Ca 0.00 -0.06 -0.02 0.00 0.31 0.00 0.00 61.69 61.91 1x5m s THR 94 Cb 0.00 -0.67 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 1x5m s THR 94 CO 0.00 -0.04 -0.07 0.54 -0.69 0.00 0.00 174.62 174.36 1x5m s VAL 95 N -0.06 3.57 0.02 3.82 0.11 -0.70 0.24 120.40 127.40 1x5m s VAL 95 Ca -0.03 -0.47 -0.01 0.00 -2.93 0.00 0.00 61.98 58.54 1x5m s VAL 95 Cb -0.03 -2.54 -0.04 0.00 -1.53 0.00 0.00 36.38 32.24 1x5m s VAL 95 CO 0.02 0.51 0.15 -0.76 -3.33 0.00 0.00 175.10 171.68 1x5m s LEU 96 N 0.33 4.16 -0.38 2.54 1.43 0.45 -2.14 118.68 125.07 1x5m s LEU 96 Ca -0.06 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 1x5m s LEU 96 Cb -0.15 -2.60 0.14 0.00 0.03 0.00 0.00 46.19 43.61 1x5m s LEU 96 CO 0.04 0.23 0.22 -0.63 0.23 0.00 0.00 176.35 176.44 1x5m s ILE 97 N -1.35 0.57 -0.21 -0.59 -1.09 -0.88 -1.91 121.20 115.74 1x5m s ILE 97 Ca 0.28 -2.02 -0.29 0.00 -2.23 0.00 0.00 60.65 56.39 1x5m s ILE 97 Cb -0.12 -1.41 -0.01 0.00 -1.58 0.00 0.00 42.46 39.34 1x5m s ILE 97 CO 0.20 -0.97 1.25 -0.76 -1.23 0.00 0.00 174.94 173.44 1x5m s LEU 98 N 0.80 4.09 -0.24 2.97 1.43 0.21 -2.32 118.68 125.62 1x5m s LEU 98 Ca 0.18 1.53 0.03 0.00 -1.03 0.00 0.00 54.13 54.84 1x5m s LEU 98 Cb -0.23 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.51 1x5m s LEU 98 CO 0.00 -0.84 -0.13 0.00 0.23 0.00 0.00 176.35 175.62 1x5m n ARG 100 N 4.47 1.16 -3.61 0.00 5.12 -1.25 -0.89 116.66 121.66 1x5m n ARG 100 Ca -0.15 0.44 -0.37 0.00 -1.93 0.00 0.00 57.85 55.84 1x5m n ARG 100 Cb 0.44 -2.38 -0.10 0.00 -1.16 0.00 0.00 32.46 29.25 1x5m n ARG 100 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1x5m s LYS 101 N -2.97 4.00 0.44 5.56 1.02 -1.26 -2.55 119.74 123.98 1x5m s LYS 101 Ca 0.77 -0.29 0.21 0.00 0.02 0.00 0.00 55.97 56.68 1x5m s LYS 101 Cb -0.41 -3.61 1.04 0.00 -0.52 0.00 0.00 37.83 34.33 1x5m s LYS 101 CO 0.45 -0.09 1.91 -0.22 -0.92 0.00 0.00 175.35 176.49 1x5m h LYS 102 N 8.04 0.00 -3.35 1.68 3.64 -1.86 -3.42 116.57 121.31 1x5m h LYS 102 Ca -0.36 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 58.70 1x5m h LYS 102 Cb 1.18 0.00 -0.36 0.00 -0.41 0.00 0.00 32.23 32.64 1x5m h LYS 102 CO 0.59 0.25 -0.71 0.08 -2.27 0.00 0.00 179.45 177.39 1x5m s VAL 103 N -4.03 -0.10 1.13 2.00 1.01 -1.26 -5.04 120.40 114.10 1x5m s VAL 103 Ca -0.02 0.32 -0.19 0.00 0.00 0.00 0.00 61.98 62.10 1x5m s VAL 103 Cb 0.13 -0.15 0.26 0.00 0.00 0.00 0.00 36.38 36.62 1x5m s VAL 103 CO 0.65 0.13 1.18 -1.61 0.00 0.00 0.00 175.10 175.46 1x5m s GLU 104 N 1.69 -0.70 -1.27 2.72 8.01 -1.26 -4.16 118.70 123.73 1x5m s GLU 104 Ca -0.02 -0.21 -0.29 0.00 0.01 0.00 0.00 54.97 54.46 1x5m s GLU 104 Cb -0.12 -1.67 0.04 0.00 -4.31 0.00 0.00 34.13 28.07 1x5m s GLU 104 CO -0.04 -3.34 0.57 0.09 0.01 0.00 0.00 175.26 172.55 1x5m n ASN 105 N -4.47 -3.25 -3.84 -0.19 4.13 -1.26 -4.93 115.26 101.46 1x5m n ASN 105 Ca 0.14 -1.30 -0.20 0.00 1.68 0.00 0.00 54.58 54.90 1x5m n ASN 105 Cb 0.60 -1.65 -0.17 0.00 -1.54 0.00 0.00 39.78 37.02 1x5m n ASN 105 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1x5m s THR 106 N -3.68 0.40 0.33 3.41 2.01 -1.26 -5.06 115.64 111.80 1x5m s THR 106 Ca 0.41 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.29 1x5m s THR 106 Cb -0.23 -0.49 -0.08 0.00 0.01 0.00 0.00 72.50 71.72 1x5m s THR 106 CO 0.98 0.22 0.71 -0.60 -0.69 0.00 0.00 174.62 175.24 1x5m s ARG 107 N 1.29 3.89 -0.37 4.92 6.06 -1.26 -4.66 118.95 128.82 1x5m s ARG 107 Ca -0.06 0.52 0.04 0.00 -2.50 0.00 0.00 55.73 53.74 1x5m s ARG 107 Cb -0.13 -2.46 0.11 0.00 0.06 0.00 0.00 34.95 32.52 1x5m s ARG 107 CO -0.02 0.13 0.09 -1.58 -2.50 0.00 0.00 175.30 171.42 1x5m s TRP 108 N -2.07 3.53 0.32 5.12 0.52 -1.26 -4.93 118.94 120.17 1x5m s TRP 108 Ca 0.52 -2.97 0.37 0.00 0.02 0.00 0.00 56.10 54.04 1x5m s TRP 108 Cb -0.10 -2.83 1.87 0.00 -1.15 0.00 0.00 33.47 31.25 1x5m s TRP 108 CO 0.22 -0.91 2.13 -0.44 0.02 0.00 0.00 176.95 177.98 1x5m h ASP 109 N 7.42 0.00 -3.84 2.95 5.19 -1.97 -3.42 116.42 122.75 1x5m h ASP 109 Ca -0.05 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.31 1x5m h ASP 109 Cb 0.99 0.00 -0.22 0.00 0.18 0.00 0.00 39.33 40.29 1x5m h ASP 109 CO 0.55 0.00 0.05 -0.31 -3.12 0.00 0.00 179.24 176.41 1x5m s TYR 110 N -3.88 -0.77 0.40 4.55 2.02 -1.26 -4.95 117.35 113.47 1x5m s TYR 110 Ca -0.02 1.82 0.19 0.00 -0.37 0.00 0.00 57.07 58.68 1x5m s TYR 110 Cb 0.11 0.30 1.11 0.00 -0.40 0.00 0.00 41.96 43.07 1x5m s TYR 110 CO 0.43 -0.37 1.78 1.25 -1.57 0.00 0.00 175.55 177.06 1x5m h LEU 111 N 5.36 0.44 -8.92 -1.29 6.46 -1.97 -3.37 115.31 112.02 1x5m h LEU 111 Ca -0.29 0.08 -0.52 0.00 -0.12 0.00 0.00 57.88 57.03 1x5m h LEU 111 Cb 1.17 0.01 -0.16 0.00 -0.73 0.00 0.00 40.66 40.95 1x5m h LEU 111 CO 0.10 0.09 -0.77 0.42 -0.62 0.00 0.00 178.44 177.66 1x5m s THR 112 N -5.47 1.93 0.19 1.05 -4.23 -1.26 -3.83 115.64 104.01 1x5m s THR 112 Ca -0.09 -2.09 -0.04 0.00 -1.18 0.00 0.00 61.69 58.29 1x5m s THR 112 Cb 0.25 -1.99 -0.03 0.00 1.34 0.00 0.00 72.50 72.07 1x5m s THR 112 CO 0.80 -0.40 1.53 -0.61 -0.54 0.00 0.00 174.62 175.40 1x5m h GLN 113 N 2.89 0.65 -0.25 3.99 4.15 0.18 -3.22 115.11 123.50 1x5m h GLN 113 Ca -0.41 -0.36 0.05 0.00 0.77 0.00 0.00 58.65 58.70 1x5m h GLN 113 Cb 1.22 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.86 1x5m h GLN 113 CO 0.55 0.97 -0.49 -0.24 -1.93 0.00 0.00 178.83 177.69 1x5m h VAL 114 N 0.52 0.06 -0.95 2.39 3.04 -1.84 -1.45 116.25 118.02 1x5m h VAL 114 Ca 0.03 0.00 0.10 0.00 -1.01 0.00 0.00 66.70 65.83 1x5m h VAL 114 Cb 0.99 0.06 -0.13 0.00 -2.01 0.00 0.00 31.29 30.20 1x5m h VAL 114 CO 0.09 0.00 -0.50 -0.62 -1.01 0.00 0.00 177.57 175.53 1x5m n GLU 115 N -5.42 -0.36 0.00 4.17 4.71 -1.21 -1.21 120.64 121.31 1x5m n GLU 115 Ca -0.04 1.44 0.00 0.00 -0.01 0.00 0.00 57.16 58.55 1x5m n GLU 115 Cb 0.36 -2.12 0.00 0.00 -1.01 0.00 0.00 31.44 28.67 1x5m n GLU 115 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1x5m n LYS 116 N -5.25 0.00 -0.26 3.49 4.81 -0.57 0.18 118.16 120.57 1x5m n LYS 116 Ca 0.04 0.80 -0.07 0.00 -0.87 0.00 0.00 58.31 58.21 1x5m n LYS 116 Cb 0.29 -1.31 -0.06 0.00 0.02 0.00 0.00 35.03 33.96 1x5m n LYS 116 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1x5m n GLU 117 N -2.22 -0.27 -0.03 1.64 -0.58 -0.55 0.18 120.64 118.80 1x5m n GLU 117 Ca 0.00 1.22 -0.07 0.00 -0.42 0.00 0.00 57.16 57.89 1x5m n GLU 117 Cb 0.00 -1.80 -0.04 0.00 -0.57 0.00 0.00 31.44 29.03 1x5m n GLU 117 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x5m h LYS 119 N -0.22 -0.19 -0.38 0.00 1.79 0.40 -1.33 116.57 116.64 1x5m h LYS 119 Ca 0.02 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.55 1x5m h LYS 119 Cb 0.29 0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 30.91 1x5m h LYS 119 CO -0.23 -0.13 -0.49 0.93 -1.08 0.00 0.00 179.45 178.45 1x5m h GLU 120 N -0.20 -0.32 -6.30 3.15 4.39 0.26 -3.41 114.58 112.15 1x5m h GLU 120 Ca 0.09 0.02 -0.61 0.00 0.34 0.00 0.00 59.36 59.19 1x5m h GLU 120 Cb 0.42 0.07 0.14 0.00 -0.10 0.00 0.00 28.75 29.28 1x5m h GLU 120 CO -0.59 -0.22 -0.34 1.63 -1.16 0.00 0.00 179.01 178.34 1x5m n LYS 121 N -5.04 0.62 -4.01 2.33 5.02 0.32 -4.94 118.16 112.46 1x5m n LYS 121 Ca -0.03 0.22 -0.31 0.00 -2.02 0.00 0.00 58.31 56.18 1x5m n LYS 121 Cb 0.30 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.67 1x5m n LYS 121 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1x5m s SER 122 N -0.89 4.73 1.05 4.39 0.15 -1.26 -4.89 113.70 116.98 1x5m s SER 122 Ca 0.62 -2.11 -0.09 0.00 0.70 0.00 0.00 55.95 55.07 1x5m s SER 122 Cb -0.66 -1.60 0.13 0.00 -1.71 0.00 0.00 66.02 62.18 1x5m s SER 122 CO 0.58 -0.37 0.61 0.61 1.20 0.00 0.00 173.24 175.86 1x5m n GLY 123 N 4.28 -1.82 0.07 9.45 0.00 -1.26 -5.01 105.19 110.90 1x5m n GLY 123 Ca 0.03 -1.60 -0.14 0.00 0.00 0.00 0.00 46.02 44.31 1x5m n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5m h PRO 124 N 0.00 0.03 -6.20 1.61 0.13 -1.99 -3.46 132.00 122.12 1x5m h PRO 124 Ca -0.21 -0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.36 1x5m h PRO 124 Cb 0.59 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.66 1x5m h PRO 124 CO 0.14 0.77 -0.59 -1.12 -0.23 0.00 0.00 178.00 176.97 1x5m s SER 125 N -6.01 4.97 -0.30 1.44 0.01 -1.26 -5.03 113.70 107.52 1x5m s SER 125 Ca -0.17 -0.48 -0.33 0.00 1.31 0.00 0.00 55.95 56.27 1x5m s SER 125 Cb -0.00 -1.07 -0.10 0.00 0.21 0.00 0.00 66.02 65.05 1x5m s SER 125 CO 0.69 -0.03 2.17 -1.20 0.41 0.00 0.00 173.24 175.28 1x5m n SER 126 N -1.03 2.50 0.00 2.44 7.64 -1.26 -5.14 113.62 118.77 1x5m n SER 126 Ca -0.07 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1x5m n SER 126 Cb 0.59 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 1x5m n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64