#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 -1.23 1.61 7.64 -1.26 -4.92 113.62 115.46 1x5m n SER 2 Ca 0.00 0.00 0.16 0.00 1.01 0.00 0.00 58.87 60.04 1x5m n SER 2 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1x5m n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x5m n SER 3 N 3.29 -7.18 -3.84 6.43 3.41 -1.26 -4.95 113.62 109.53 1x5m n SER 3 Ca 0.00 1.00 -0.18 0.00 -0.26 0.00 0.00 58.87 59.43 1x5m n SER 3 Cb 0.00 -4.07 -0.16 0.00 -0.26 0.00 0.00 64.21 59.72 1x5m n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5m s GLY 4 N -6.88 0.30 0.25 5.00 0.00 -1.26 -5.14 107.32 99.59 1x5m s GLY 4 Ca 0.00 0.10 -0.21 0.00 0.00 0.00 0.00 44.72 44.61 1x5m s GLY 4 CO 0.00 0.57 0.68 -0.56 0.00 0.00 0.00 173.10 173.79 1x5m s SER 5 N 1.02 -0.33 0.05 1.64 0.01 -1.26 -5.18 113.70 109.65 1x5m s SER 5 Ca -0.10 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.71 1x5m s SER 5 Cb -0.14 0.69 -0.03 0.00 0.21 0.00 0.00 66.02 66.75 1x5m s SER 5 CO -0.01 -1.24 -0.06 -0.44 0.41 0.00 0.00 173.24 171.90 1x5m s SER 6 N -2.88 0.74 0.00 2.44 0.01 -1.26 -5.15 113.70 107.60 1x5m s SER 6 Ca 0.09 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1x5m s SER 6 Cb -0.05 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.28 1x5m s SER 6 CO 0.02 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 173.92 1x5m n GLY 7 N 0.87 2.27 2.85 3.44 0.00 -1.26 -5.14 105.19 108.21 1x5m n GLY 7 Ca -0.19 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 1x5m n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5m s VAL 8 N -0.27 0.92 0.17 1.61 1.01 -1.26 -5.12 120.40 117.46 1x5m s VAL 8 Ca 0.00 -0.52 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 1x5m s VAL 8 Cb 0.00 -1.15 -0.08 0.00 0.00 0.00 0.00 36.38 35.15 1x5m s VAL 8 CO 0.00 0.09 0.77 -0.69 0.00 0.00 0.00 175.10 175.27 1x5m s VAL 9 N 1.71 4.39 -0.31 2.92 1.01 -1.26 -5.05 120.40 123.81 1x5m s VAL 9 Ca 0.01 1.66 -0.01 0.00 0.00 0.00 0.00 61.98 63.65 1x5m s VAL 9 Cb -0.15 -4.11 0.10 0.00 0.00 0.00 0.00 36.38 32.22 1x5m s VAL 9 CO -0.07 0.51 0.10 0.00 0.00 0.00 0.00 175.10 175.63 1x5m s ALA 10 N -1.17 1.60 0.73 5.51 0.00 -1.26 -5.13 121.76 122.04 1x5m s ALA 10 Ca 0.36 -1.72 -0.11 0.00 0.00 0.00 0.00 51.96 50.49 1x5m s ALA 10 Cb -0.23 -1.64 0.03 0.00 0.00 0.00 0.00 23.12 21.28 1x5m s ALA 10 CO 0.26 -1.67 1.07 -1.25 0.00 0.00 0.00 175.76 174.17 1x5m s PRO 11 N 1.58 2.69 0.32 0.00 0.04 -1.26 -4.99 135.00 133.38 1x5m s PRO 11 Ca 0.10 0.86 -0.29 0.00 0.04 0.00 0.00 61.00 61.71 1x5m s PRO 11 Cb -0.17 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 1x5m s PRO 11 CO -0.24 -1.25 1.39 0.96 0.04 0.00 0.00 177.00 177.90 1x5m s ILE 12 N -3.08 2.51 -0.21 0.56 -5.25 -1.26 -5.00 121.20 109.47 1x5m s ILE 12 Ca 0.59 0.50 0.01 0.00 -0.99 0.00 0.00 60.65 60.75 1x5m s ILE 12 Cb -0.14 -3.32 0.05 0.00 2.95 0.00 0.00 42.46 42.00 1x5m s ILE 12 CO 0.55 0.11 -0.08 0.42 -1.79 0.00 0.00 174.94 174.15 1x5m s THR 13 N -0.86 1.58 0.00 8.37 -4.23 -1.26 -5.08 115.64 114.17 1x5m s THR 13 Ca 0.52 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1x5m s THR 13 Cb -0.42 -1.74 0.00 0.00 1.34 0.00 0.00 72.50 71.68 1x5m s THR 13 CO 0.53 0.05 0.00 0.35 -0.54 0.00 0.00 174.62 175.02 1x5m n THR 14 N 4.68 0.00 -0.79 3.99 -2.24 -1.26 -5.00 114.28 113.66 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 -2.69 3.60 3.38 0.00 -1.26 -5.14 105.19 103.08 1x5m n GLY 15 Ca 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 -0.12 0.29 1.61 -0.85 -1.26 -5.16 117.35 111.86 1x5m s TYR 16 Ca 0.00 0.05 -0.19 0.00 -0.52 0.00 0.00 57.07 56.41 1x5m s TYR 16 Cb 0.00 0.52 -0.09 0.00 0.38 0.00 0.00 41.96 42.77 1x5m s TYR 16 CO 0.00 -0.24 0.78 0.99 -1.52 0.00 0.00 175.55 175.56 1x5m s THR 17 N -2.46 4.54 0.57 -3.49 2.01 -1.26 -4.54 115.64 111.01 1x5m s THR 17 Ca 0.10 1.26 -0.16 0.00 0.31 0.00 0.00 61.69 63.20 1x5m s THR 17 Cb 0.00 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1x5m s THR 17 CO -0.05 0.01 1.03 -0.69 -0.69 0.00 0.00 174.62 174.23 1x5m s VAL 18 N -1.77 4.13 -0.29 3.82 1.01 0.53 -4.76 120.40 123.07 1x5m s VAL 18 Ca 0.50 0.98 -0.08 0.00 0.00 0.00 0.00 61.98 63.38 1x5m s VAL 18 Cb -0.14 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.71 1x5m s VAL 18 CO 0.19 -0.63 0.10 -0.75 0.00 0.00 0.00 175.10 174.02 1x5m s LYS 19 N -4.18 3.25 -0.80 2.72 2.20 -1.26 0.19 119.74 121.85 1x5m s LYS 19 Ca 0.61 -0.76 -0.25 0.00 -0.36 0.00 0.00 55.97 55.21 1x5m s LYS 19 Cb -0.13 -3.43 -0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1x5m s LYS 19 CO 0.37 -0.40 1.66 0.42 -0.36 0.00 0.00 175.35 177.03 1x5m s ILE 20 N 1.55 3.59 -0.10 5.43 1.01 -0.52 -4.80 121.20 127.36 1x5m s ILE 20 Ca 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.56 1x5m s ILE 20 Cb -0.17 -4.43 -0.02 0.00 0.01 0.00 0.00 42.46 37.85 1x5m s ILE 20 CO 0.04 -1.36 0.08 0.28 0.00 0.00 0.00 174.94 173.97 1x5m h SER 21 N 11.74 -0.02 -3.36 3.58 0.02 -1.96 -3.44 113.55 120.11 1x5m h SER 21 Ca -0.07 -0.07 -0.60 0.00 -0.84 0.00 0.00 61.79 60.21 1x5m h SER 21 Cb 1.06 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.51 1x5m h SER 21 CO 1.28 0.52 0.31 0.21 -1.14 0.00 0.00 176.83 178.00 1x5m s ASN 22 N -5.57 6.76 -0.13 3.07 3.84 -1.26 -5.03 114.94 116.61 1x5m s ASN 22 Ca -0.02 0.93 -0.07 0.00 0.21 0.00 0.00 52.86 53.92 1x5m s ASN 22 Cb -0.00 -2.40 0.05 0.00 -0.55 0.00 0.00 41.25 38.35 1x5m s ASN 22 CO 0.06 -0.41 0.32 -0.72 -2.79 0.00 0.00 177.10 173.56 1x5m s TYR 23 N 2.45 -0.45 -0.06 0.43 -0.85 -1.26 -4.76 117.35 112.85 1x5m s TYR 23 Ca 0.32 1.01 -0.28 0.00 -0.52 0.00 0.00 57.07 57.60 1x5m s TYR 23 Cb -0.16 0.14 -0.03 0.00 0.38 0.00 0.00 41.96 42.30 1x5m s TYR 23 CO 0.09 -0.28 0.90 0.20 -1.52 0.00 0.00 175.55 174.94 1x5m s GLY 24 N 1.32 2.63 0.25 5.49 0.00 -0.32 -4.95 107.32 111.74 1x5m s GLY 24 Ca -0.09 0.35 0.03 0.00 0.00 0.00 0.00 44.72 45.01 1x5m s GLY 24 CO -0.10 1.62 0.03 0.66 0.00 0.00 0.00 173.10 175.31 1x5m s TRP 25 N 1.32 1.63 0.33 1.90 1.48 -1.26 0.23 118.94 124.58 1x5m s TRP 25 Ca 0.46 -0.98 -0.13 0.00 -1.06 0.00 0.00 56.10 54.39 1x5m s TRP 25 Cb -0.19 -0.98 0.03 0.00 -1.16 0.00 0.00 33.47 31.17 1x5m s TRP 25 CO 0.22 -0.09 0.65 0.34 -4.06 0.00 0.00 176.95 174.00 1x5m s ASP 26 N -3.34 0.16 -0.13 -2.66 2.15 -0.39 -4.89 116.67 107.57 1x5m s ASP 26 Ca 0.32 -1.10 -0.22 0.00 0.43 0.00 0.00 52.55 51.98 1x5m s ASP 26 Cb 0.07 0.74 0.05 0.00 -0.30 0.00 0.00 42.92 43.48 1x5m s ASP 26 CO 0.11 -1.45 0.56 0.00 -0.17 0.00 0.00 175.17 174.23 1x5m s GLN 27 N -3.06 0.79 0.01 4.34 0.00 -1.26 -3.21 119.66 117.28 1x5m s GLN 27 Ca 0.19 0.47 -0.00 0.00 -0.00 0.00 0.00 55.36 56.02 1x5m s GLN 27 Cb -0.03 0.38 -0.01 0.00 0.00 0.00 0.00 33.01 33.34 1x5m s GLN 27 CO 0.12 -0.17 -0.01 -1.12 0.00 0.00 0.00 175.29 174.11 1x5m s SER 28 N -0.43 0.17 -0.92 12.60 0.01 -0.80 -5.00 113.70 119.33 1x5m s SER 28 Ca -0.06 -0.37 -0.26 0.00 1.31 0.00 0.00 55.95 56.57 1x5m s SER 28 Cb -0.03 0.09 -0.22 0.00 0.21 0.00 0.00 66.02 66.07 1x5m s SER 28 CO 0.04 -0.24 1.97 0.47 0.41 0.00 0.00 173.24 175.89 1x5m n ASP 29 N 1.91 1.82 0.00 2.44 8.00 -1.26 -1.62 116.55 127.84 1x5m n ASP 29 Ca -0.21 -2.56 0.00 0.00 0.71 0.00 0.00 54.79 52.73 1x5m n ASP 29 Cb 0.56 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 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 8.06 0.00 -3.57 -1.24 5.02 -1.26 -4.41 118.16 120.76 1x5m n LYS 30 Ca 0.44 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.60 1x5m n LYS 30 Cb 0.46 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.42 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 -0.37 0.08 2.13 0.08 -0.64 -4.13 117.98 115.13 1x5m s PHE 31 Ca 0.00 0.25 0.06 0.00 0.12 0.00 0.00 56.93 57.36 1x5m s PHE 31 Cb 0.00 0.35 -0.04 0.00 -0.57 0.00 0.00 43.02 42.76 1x5m s PHE 31 CO 0.00 -0.70 -0.08 0.08 -0.10 0.00 0.00 175.22 174.42 1x5m s VAL 32 N -3.10 3.48 0.01 -0.44 1.01 -0.47 -1.90 120.40 118.99 1x5m s VAL 32 Ca -0.02 -1.12 -0.10 0.00 0.00 0.00 0.00 61.98 60.74 1x5m s VAL 32 Cb 0.00 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.79 1x5m s VAL 32 CO -0.07 0.19 0.21 -0.75 0.00 0.00 0.00 175.10 174.68 1x5m s LYS 33 N -2.00 0.60 0.09 2.72 2.20 -1.20 0.20 119.74 122.35 1x5m s LYS 33 Ca 0.21 -0.39 0.08 0.00 -0.36 0.00 0.00 55.97 55.51 1x5m s LYS 33 Cb -0.11 0.25 -0.03 0.00 -1.51 0.00 0.00 37.83 36.43 1x5m s LYS 33 CO 0.12 -0.16 -0.22 0.42 -0.36 0.00 0.00 175.35 175.16 1x5m s ILE 34 N -1.64 1.78 -0.20 5.43 1.09 -0.67 -1.26 121.20 125.73 1x5m s ILE 34 Ca -0.12 -1.51 -0.02 0.00 -1.10 0.00 0.00 60.65 57.90 1x5m s ILE 34 Cb -0.05 -1.60 0.06 0.00 -1.06 0.00 0.00 42.46 39.81 1x5m s ILE 34 CO 0.01 0.01 0.02 -0.31 -0.10 0.00 0.00 174.94 174.57 1x5m s TYR 35 N -1.08 1.33 0.10 3.97 1.51 0.64 -1.86 117.35 121.97 1x5m s TYR 35 Ca 0.08 -1.06 0.05 0.00 -1.01 0.00 0.00 57.07 55.13 1x5m s TYR 35 Cb -0.10 -1.15 -0.04 0.00 -0.11 0.00 0.00 41.96 40.56 1x5m s TYR 35 CO 0.04 -0.65 -0.00 0.42 -1.11 0.00 0.00 175.55 174.25 1x5m s ILE 36 N 1.75 3.98 -0.45 2.71 1.09 -0.91 -1.17 121.20 128.19 1x5m s ILE 36 Ca -0.02 -1.03 -0.19 0.00 -1.10 0.00 0.00 60.65 58.30 1x5m s ILE 36 Cb -0.17 -2.90 0.03 0.00 -1.06 0.00 0.00 42.46 38.36 1x5m s ILE 36 CO -0.08 0.10 0.57 -0.89 -0.10 0.00 0.00 174.94 174.55 1x5m s THR 37 N -1.34 4.92 -0.26 2.92 2.01 -1.26 -1.53 115.64 121.10 1x5m s THR 37 Ca 0.26 -0.21 -0.03 0.00 0.31 0.00 0.00 61.69 62.01 1x5m s THR 37 Cb -0.11 -4.18 0.10 0.00 0.01 0.00 0.00 72.50 68.32 1x5m s THR 37 CO 0.18 -0.60 0.17 -0.22 -0.69 0.00 0.00 174.62 173.46 1x5m s LEU 38 N 2.55 0.28 -0.26 4.42 1.98 -0.45 -4.94 118.68 122.26 1x5m s LEU 38 Ca 0.17 -0.97 -0.29 0.00 -2.89 0.00 0.00 54.13 50.15 1x5m s LEU 38 Cb -0.16 -0.08 0.00 0.00 0.66 0.00 0.00 46.19 46.60 1x5m s LEU 38 CO 0.15 -0.41 1.22 -0.89 -1.89 0.00 0.00 176.35 174.53 1x5m s THR 39 N 2.18 4.31 0.00 3.68 2.01 -1.25 -2.64 115.64 123.93 1x5m s THR 39 Ca 0.08 1.53 0.00 0.00 0.31 0.00 0.00 61.69 63.61 1x5m s THR 39 Cb -0.16 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.17 1x5m s THR 39 CO -0.30 -0.35 0.00 0.61 -0.69 0.00 0.00 174.62 173.89 1x5m n GLY 40 N 3.93 2.01 0.34 4.40 0.00 -1.26 -3.91 105.19 110.70 1x5m n GLY 40 Ca 0.14 0.00 0.18 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 0.27 -0.01 1.61 3.04 -1.87 1.57 116.25 120.86 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 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 30.10 1x5m h VAL 41 CO 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 177.57 176.54 1x5m n HIS 42 N -3.46 0.00 -0.05 3.17 1.44 -1.26 -3.63 115.22 111.42 1x5m n HIS 42 Ca 0.00 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.66 1x5m n HIS 42 Cb 0.30 -0.02 -0.08 0.00 0.12 0.00 0.00 29.99 30.31 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 -0.28 2.09 -1.97 -1.40 6.02 0.52 -5.01 117.38 117.35 1x5m n GLN 43 Ca 0.19 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.86 1x5m n GLN 43 Cb 0.28 -1.26 0.02 0.00 1.02 0.00 0.00 30.24 30.30 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 -2.25 3.50 1.00 5.09 -7.23 0.05 -5.04 120.40 115.52 1x5m s VAL 44 Ca -0.07 0.74 -0.15 0.00 -1.81 0.00 0.00 61.98 60.69 1x5m s VAL 44 Cb 0.03 -3.26 0.19 0.00 0.56 0.00 0.00 36.38 33.91 1x5m s VAL 44 CO 0.41 -0.39 1.18 -2.16 -0.31 0.00 0.00 175.10 173.83 1x5m s PRO 45 N -3.95 0.39 0.00 4.82 0.04 -1.26 -4.93 135.00 130.10 1x5m s PRO 45 Ca 0.66 0.01 0.25 0.00 0.04 0.00 0.00 61.00 61.95 1x5m s PRO 45 Cb -0.19 -1.78 1.17 0.00 0.04 0.00 0.00 34.50 33.74 1x5m s PRO 45 CO 0.37 -2.65 1.81 -2.37 0.04 0.00 0.00 177.00 174.20 1x5m n THR 46 N -4.02 0.25 0.07 1.26 5.66 -1.26 -2.78 114.28 113.46 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 0.13 0.00 1.09 4.11 -2.01 -3.16 114.58 114.74 1x5m h GLU 47 Ca 0.00 -0.23 0.00 0.00 0.07 0.00 0.00 59.36 59.20 1x5m h GLU 47 Cb 0.31 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1x5m h GLU 47 CO 0.00 1.07 -0.04 0.09 0.07 0.00 0.00 179.01 180.19 1x5m n ASN 48 N -3.41 0.53 -4.21 3.06 4.13 -1.12 -4.53 115.26 109.71 1x5m n ASN 48 Ca -0.06 0.51 -0.38 0.00 1.68 0.00 0.00 54.58 56.33 1x5m n ASN 48 Cb 0.99 -0.62 -0.11 0.00 -1.54 0.00 0.00 39.78 38.50 1x5m n ASN 48 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1x5m s VAL 49 N -3.07 3.70 -0.24 2.41 1.01 -1.19 -0.36 120.40 122.66 1x5m s VAL 49 Ca 0.12 -1.57 -0.01 0.00 0.00 0.00 0.00 61.98 60.52 1x5m s VAL 49 Cb 0.15 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 33.25 1x5m s VAL 49 CO 0.58 -0.46 -0.08 -1.10 0.00 0.00 0.00 175.10 174.04 1x5m s GLN 50 N 1.31 2.84 -0.01 2.72 -0.21 -0.57 -4.85 119.66 120.89 1x5m s GLN 50 Ca 0.03 -0.97 0.02 0.00 0.02 0.00 0.00 55.36 54.46 1x5m s GLN 50 Cb -0.22 -2.94 -0.00 0.00 1.00 0.00 0.00 33.01 30.85 1x5m s GLN 50 CO -0.00 -0.38 -0.08 0.54 -2.12 0.00 0.00 175.29 173.25 1x5m s VAL 51 N 1.31 0.65 -0.05 1.09 0.11 -1.26 0.20 120.40 122.46 1x5m s VAL 51 Ca 0.00 -0.34 0.03 0.00 -2.93 0.00 0.00 61.98 58.75 1x5m s VAL 51 Cb -0.16 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 1x5m s VAL 51 CO -0.05 0.19 -0.14 -2.28 -3.33 0.00 0.00 175.10 169.48 1x5m s HIS 52 N -0.09 1.55 -0.04 1.54 5.04 0.65 -4.96 115.29 118.98 1x5m s HIS 52 Ca 0.02 -0.51 -0.03 0.00 -1.54 0.00 0.00 55.06 53.00 1x5m s HIS 52 Cb -0.04 -1.09 -0.04 0.00 0.04 0.00 0.00 32.58 31.45 1x5m s HIS 52 CO -0.00 -0.22 0.13 -0.06 -2.34 0.00 0.00 174.74 172.25 1x5m s PHE 53 N 0.33 3.45 0.00 3.88 0.08 -1.26 -0.53 117.98 123.94 1x5m s PHE 53 Ca -0.09 0.34 0.00 0.00 0.12 0.00 0.00 56.93 57.30 1x5m s PHE 53 Cb -0.13 -1.82 0.00 0.00 -0.57 0.00 0.00 43.02 40.50 1x5m s PHE 53 CO 0.03 0.63 0.00 0.25 -0.10 0.00 0.00 175.22 176.03 1x5m n THR 54 N 1.31 0.00 0.11 0.64 -2.24 -0.48 -4.80 114.28 108.83 1x5m n THR 54 Ca -0.14 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.46 1x5m n THR 54 Cb 0.53 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.62 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 0.33 -1.37 -0.78 4.11 -1.96 -3.37 114.58 111.54 1x5m h GLU 55 Ca 0.00 -0.57 -0.40 0.00 0.07 0.00 0.00 59.36 58.46 1x5m h GLU 55 Cb 0.00 0.21 -0.34 0.00 0.50 0.00 0.00 28.75 29.12 1x5m h GLU 55 CO 0.00 1.27 -1.03 0.54 0.07 0.00 0.00 179.01 179.86 1x5m n ARG 56 N -3.57 1.02 0.00 1.06 5.12 -1.26 0.63 116.66 119.66 1x5m n ARG 56 Ca -0.10 -3.03 0.00 0.00 -1.93 0.00 0.00 57.85 52.79 1x5m n ARG 56 Cb 1.04 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.92 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 0.19 0.00 -3.58 0.55 3.41 -1.26 -2.33 113.62 110.59 1x5m n SER 57 Ca 0.17 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.77 1x5m n SER 57 Cb 0.71 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.60 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 -0.54 0.04 7.33 -0.12 0.24 -1.38 117.98 121.54 1x5m s PHE 58 Ca 0.00 1.05 0.01 0.00 -0.05 0.00 0.00 56.93 57.94 1x5m s PHE 58 Cb 0.00 0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 42.68 1x5m s PHE 58 CO 0.00 -0.27 0.09 0.16 -0.05 0.00 0.00 175.22 175.15 1x5m s ASP 59 N 1.58 5.70 -0.15 1.98 -4.77 0.32 -0.39 116.67 120.93 1x5m s ASP 59 Ca -0.07 0.10 -0.04 0.00 -3.30 0.00 0.00 52.55 49.23 1x5m s ASP 59 Cb -0.04 -1.61 0.07 0.00 -1.09 0.00 0.00 42.92 40.25 1x5m s ASP 59 CO -0.15 0.22 0.23 -0.22 0.70 0.00 0.00 175.17 175.96 1x5m s LEU 60 N -2.08 -0.21 0.10 2.11 0.20 0.60 -0.25 118.68 119.15 1x5m s LEU 60 Ca 0.27 0.29 0.05 0.00 0.69 0.00 0.00 54.13 55.43 1x5m s LEU 60 Cb -0.12 0.54 -0.04 0.00 -0.43 0.00 0.00 46.19 46.13 1x5m s LEU 60 CO 0.19 -0.27 -0.02 -0.22 -0.29 0.00 0.00 176.35 175.73 1x5m s LEU 61 N 2.37 3.36 -0.17 -0.68 1.98 0.55 0.86 118.68 126.95 1x5m s LEU 61 Ca 0.04 -0.23 -0.04 0.00 -2.89 0.00 0.00 54.13 51.00 1x5m s LEU 61 Cb -0.13 -2.11 0.08 0.00 0.66 0.00 0.00 46.19 44.69 1x5m s LEU 61 CO -0.09 0.17 0.17 -0.69 -1.89 0.00 0.00 176.35 174.03 1x5m s VAL 62 N -1.30 -0.25 0.30 1.68 1.01 0.15 -1.52 120.40 120.48 1x5m s VAL 62 Ca 0.25 -0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.28 1x5m s VAL 62 Cb -0.11 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1x5m s VAL 62 CO 0.17 -0.15 0.15 -0.54 0.00 0.00 0.00 175.10 174.74 1x5m s LYS 63 N 2.27 2.55 -0.01 2.72 1.02 0.52 0.62 119.74 129.44 1x5m s LYS 63 Ca 0.05 -1.35 -0.00 0.00 0.02 0.00 0.00 55.97 54.68 1x5m s LYS 63 Cb -0.15 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 1x5m s LYS 63 CO -0.10 0.23 0.00 -1.71 -0.92 0.00 0.00 175.35 172.85 1x5m n ASN 64 N -1.15 -6.73 0.00 2.83 5.15 -1.24 -4.79 115.26 109.33 1x5m n ASN 64 Ca -0.05 0.53 0.00 0.00 -0.60 0.00 0.00 54.58 54.46 1x5m n ASN 64 Cb 0.60 -1.75 0.00 0.00 -0.53 0.00 0.00 39.78 38.10 1x5m n ASN 64 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1x5m n LEU 65 N 1.44 0.00 -3.86 1.20 7.94 0.59 -4.79 117.00 119.53 1x5m n LEU 65 Ca -0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.48 1x5m n LEU 65 Cb 0.41 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.33 1x5m n LEU 65 CO 0.02 0.00 2.22 -3.20 -1.11 0.00 0.00 177.39 175.33 1x5m n ASN 66 N 0.00 3.25 -1.41 1.96 2.85 -1.25 -3.99 115.26 116.67 1x5m n ASN 66 Ca 0.00 -2.76 -0.18 0.00 -0.11 0.00 0.00 54.58 51.53 1x5m n ASN 66 Cb 0.00 -1.42 -0.08 0.00 1.24 0.00 0.00 39.78 39.52 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 4.61 1.75 0.12 8.20 0.00 -1.26 -4.87 105.19 113.74 1x5m n GLY 67 Ca 0.50 -0.14 -0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.47 0.03 -4.21 1.61 2.85 -1.26 -5.12 118.16 109.59 1x5m n LYS 68 Ca -0.18 -0.06 -0.18 0.00 -1.05 0.00 0.00 58.31 56.84 1x5m n LYS 68 Cb 0.60 0.08 -0.11 0.00 -0.65 0.00 0.00 35.03 34.94 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 -1.07 1.84 0.05 -5.58 0.01 -1.26 0.22 113.70 107.90 1x5m s SER 69 Ca 0.01 -0.74 0.04 0.00 1.31 0.00 0.00 55.95 56.56 1x5m s SER 69 Cb -0.00 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.15 1x5m s SER 69 CO 0.00 -0.13 -0.12 -0.31 0.41 0.00 0.00 173.24 173.09 1x5m s TYR 70 N -1.87 1.06 0.02 2.43 1.51 0.20 0.20 117.35 120.90 1x5m s TYR 70 Ca 0.05 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.75 1x5m s TYR 70 Cb -0.06 -0.62 -0.02 0.00 -0.11 0.00 0.00 41.96 41.15 1x5m s TYR 70 CO 0.02 0.02 -0.12 -1.54 -1.11 0.00 0.00 175.55 172.82 1x5m s SER 71 N -1.36 1.39 -0.20 2.29 1.04 0.50 0.35 113.70 117.71 1x5m s SER 71 Ca -0.02 -0.37 -0.06 0.00 0.48 0.00 0.00 55.95 55.98 1x5m s SER 71 Cb -0.09 -0.10 0.09 0.00 0.10 0.00 0.00 66.02 66.03 1x5m s SER 71 CO 0.01 0.04 0.39 -0.32 0.98 0.00 0.00 173.24 174.34 1x5m s MET 72 N -0.86 0.30 0.01 4.02 0.00 0.25 -1.44 119.30 121.58 1x5m s MET 72 Ca 0.01 0.92 0.02 0.00 0.00 0.00 0.00 55.69 56.64 1x5m s MET 72 Cb -0.07 0.16 -0.01 0.00 0.00 0.00 0.00 34.83 34.92 1x5m s MET 72 CO 0.01 -0.31 -0.06 0.42 0.00 0.00 0.00 175.02 175.07 1x5m s ILE 73 N 2.58 0.49 -0.13 10.11 1.01 -1.26 0.22 121.20 134.22 1x5m s ILE 73 Ca 0.01 -0.49 -0.00 0.00 0.00 0.00 0.00 60.65 60.16 1x5m s ILE 73 Cb -0.13 -0.46 0.03 0.00 0.01 0.00 0.00 42.46 41.91 1x5m s ILE 73 CO -0.13 -0.02 -0.08 0.68 0.00 0.00 0.00 174.94 175.39 1x5m s VAL 74 N -0.49 1.13 -0.09 2.92 -7.23 0.47 -4.97 120.40 112.13 1x5m s VAL 74 Ca -0.01 -0.40 0.03 0.00 -1.81 0.00 0.00 61.98 59.79 1x5m s VAL 74 Cb -0.04 -1.15 -0.01 0.00 0.56 0.00 0.00 36.38 35.73 1x5m s VAL 74 CO 0.00 0.35 -0.19 0.20 -0.31 0.00 0.00 175.10 175.15 1x5m s ASN 75 N 1.66 3.58 -0.01 4.85 0.01 -1.26 -0.59 114.94 123.18 1x5m s ASN 75 Ca 0.04 -0.40 -0.00 0.00 -0.71 0.00 0.00 52.86 51.79 1x5m s ASN 75 Cb -0.13 -1.28 0.00 0.00 0.41 0.00 0.00 41.25 40.25 1x5m s ASN 75 CO -0.09 0.21 0.00 0.59 -1.51 0.00 0.00 177.10 176.30 1x5m n ASN 76 N 3.21 -2.11 -4.77 -1.22 3.02 -0.98 -4.77 115.26 107.64 1x5m n ASN 76 Ca -0.18 0.03 -0.36 0.00 -0.03 0.00 0.00 54.58 54.04 1x5m n ASN 76 Cb 0.53 -1.09 -0.07 0.00 -0.61 0.00 0.00 39.78 38.53 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 -0.03 4.27 0.27 3.41 1.43 -1.05 -0.03 118.68 126.95 1x5m s LEU 77 Ca -0.00 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1x5m s LEU 77 Cb 0.00 -2.13 0.64 0.00 0.03 0.00 0.00 46.19 44.73 1x5m s LEU 77 CO 0.02 0.24 1.39 -0.11 0.23 0.00 0.00 176.35 178.12 1x5m n LEU 78 N 3.07 -0.14 -4.35 1.79 7.94 -1.26 -4.21 117.00 119.85 1x5m n LEU 78 Ca -0.17 1.52 -0.19 0.00 -1.11 0.00 0.00 56.01 56.07 1x5m n LEU 78 Cb 0.53 -0.54 -0.10 0.00 0.53 0.00 0.00 43.42 43.84 1x5m n LEU 78 CO 0.36 -1.52 -0.42 -0.54 -1.11 0.00 0.00 177.39 174.15 1x5m s LYS 79 N -5.90 1.35 0.97 1.96 -0.14 -1.26 -4.79 119.74 111.93 1x5m s LYS 79 Ca -0.12 -1.61 -0.14 0.00 -1.36 0.00 0.00 55.97 52.74 1x5m s LYS 79 Cb 0.26 -1.08 0.17 0.00 -1.68 0.00 0.00 37.83 35.50 1x5m s LYS 79 CO 0.69 0.15 1.16 -1.25 -0.76 0.00 0.00 175.35 175.35 1x5m s PRO 80 N -3.67 0.66 -0.01 -1.68 0.04 -1.26 -4.79 135.00 124.29 1x5m s PRO 80 Ca 0.23 0.11 -0.23 0.00 0.04 0.00 0.00 61.00 61.15 1x5m s PRO 80 Cb 0.00 -1.80 0.05 0.00 0.04 0.00 0.00 34.50 32.79 1x5m s PRO 80 CO 0.07 -2.49 0.51 0.96 0.04 0.00 0.00 177.00 176.09 1x5m s ILE 81 N -3.34 0.03 -0.05 0.56 -5.25 0.20 -2.39 121.20 110.96 1x5m s ILE 81 Ca 0.67 -0.24 -0.30 0.00 -0.99 0.00 0.00 60.65 59.79 1x5m s ILE 81 Cb -0.12 -0.86 -0.02 0.00 2.95 0.00 0.00 42.46 44.40 1x5m s ILE 81 CO 0.54 -0.13 1.02 -0.44 -1.79 0.00 0.00 174.94 174.13 1x5m s SER 82 N -1.45 7.28 -0.00 4.36 0.01 0.74 -4.13 113.70 120.51 1x5m s SER 82 Ca -0.10 1.63 -0.01 0.00 1.31 0.00 0.00 55.95 58.77 1x5m s SER 82 Cb -0.02 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 1x5m s SER 82 CO 0.05 -0.38 0.52 0.58 0.41 0.00 0.00 173.24 174.42 1x5m h VAL 83 N 4.94 0.00 0.00 3.43 2.07 -1.87 0.25 116.25 125.07 1x5m h VAL 83 Ca -0.36 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1x5m h VAL 83 Cb 1.18 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1x5m h VAL 83 CO 0.81 0.00 0.05 -0.33 0.02 0.00 0.00 177.57 178.12 1x5m h GLU 84 N -0.07 0.00 0.00 1.57 5.08 -1.93 0.52 114.58 119.74 1x5m h GLU 84 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1x5m h GLU 84 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1x5m h GLU 84 CO 0.01 0.00 -1.11 0.41 -1.00 0.00 0.00 179.01 177.32 1x5m n GLY 85 N -1.27 -1.24 3.91 -3.84 0.00 -1.19 -4.93 105.19 96.62 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 -4.24 5.07 0.11 1.61 0.01 0.18 -4.43 113.70 112.01 1x5m s SER 86 Ca 0.02 0.74 -0.25 0.00 1.31 0.00 0.00 55.95 57.77 1x5m s SER 86 Cb 0.13 -1.47 0.07 0.00 0.21 0.00 0.00 66.02 64.97 1x5m s SER 86 CO 0.81 -1.48 0.62 -0.44 0.41 0.00 0.00 173.24 173.15 1x5m s SER 87 N -4.45 -0.59 0.03 2.44 0.01 -1.12 -4.92 113.70 105.10 1x5m s SER 87 Ca 0.59 0.17 0.07 0.00 1.31 0.00 0.00 55.95 58.08 1x5m s SER 87 Cb -0.11 0.59 -0.03 0.00 0.21 0.00 0.00 66.02 66.68 1x5m s SER 87 CO 0.47 -0.89 -0.19 -0.75 0.41 0.00 0.00 173.24 172.30 1x5m s LYS 88 N -3.15 2.09 0.11 12.44 2.36 -1.26 -1.02 119.74 131.31 1x5m s LYS 88 Ca -0.02 -0.96 0.00 0.00 -2.55 0.00 0.00 55.97 52.44 1x5m s LYS 88 Cb -0.01 -2.18 -0.04 0.00 -1.05 0.00 0.00 37.83 34.55 1x5m s LYS 88 CO -0.08 0.55 -0.01 0.15 1.55 0.00 0.00 175.35 177.52 1x5m s LYS 89 N -1.31 0.88 -0.02 4.03 1.02 -0.44 -4.92 119.74 118.98 1x5m s LYS 89 Ca 0.14 -1.39 0.02 0.00 0.02 0.00 0.00 55.97 54.76 1x5m s LYS 89 Cb -0.10 0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.21 1x5m s LYS 89 CO 0.04 -0.14 -0.06 0.08 -0.92 0.00 0.00 175.35 174.35 1x5m s VAL 90 N -3.82 0.54 0.42 3.17 1.01 -1.26 0.22 120.40 120.67 1x5m s VAL 90 Ca 0.17 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.96 1x5m s VAL 90 Cb 0.07 -0.49 -0.06 0.00 0.00 0.00 0.00 36.38 35.90 1x5m s VAL 90 CO -0.02 0.18 0.02 -1.59 0.00 0.00 0.00 175.10 173.69 1x5m s LYS 91 N 0.17 1.96 -0.24 2.72 -2.85 0.56 -4.82 119.74 117.24 1x5m s LYS 91 Ca -0.02 -2.15 -0.37 0.00 -1.00 0.00 0.00 55.97 52.43 1x5m s LYS 91 Cb -0.06 -1.43 -0.14 0.00 -2.06 0.00 0.00 37.83 34.14 1x5m s LYS 91 CO -0.00 -0.16 1.88 2.41 0.10 0.00 0.00 175.35 179.58 1x5m n THR 92 N -0.98 0.38 -3.78 3.79 -1.04 -1.26 -0.03 114.28 111.35 1x5m n THR 92 Ca -0.08 -0.11 -0.29 0.00 -2.04 0.00 0.00 64.05 61.53 1x5m n THR 92 Cb 0.67 -1.52 -0.03 0.00 -1.82 0.00 0.00 70.33 67.63 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 6.70 -2.77 -3.62 8.00 5.68 -1.26 -4.88 116.55 124.40 1x5m n ASP 93 Ca 0.28 -0.65 -0.15 0.00 -0.50 0.00 0.00 54.79 53.76 1x5m n ASP 93 Cb 0.20 -2.33 -0.07 0.00 -1.14 0.00 0.00 41.12 37.78 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 -2.98 0.01 -0.17 2.12 2.01 0.95 -1.34 115.64 116.25 1x5m s THR 94 Ca 0.55 -0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.48 1x5m s THR 94 Cb -0.31 -0.89 -0.01 0.00 0.01 0.00 0.00 72.50 71.30 1x5m s THR 94 CO 0.68 -0.03 -0.11 0.54 -0.69 0.00 0.00 174.62 175.01 1x5m s VAL 95 N -0.45 3.04 0.07 3.82 0.11 -0.58 0.21 120.40 126.62 1x5m s VAL 95 Ca -0.06 -0.64 -0.06 0.00 -2.93 0.00 0.00 61.98 58.29 1x5m s VAL 95 Cb -0.03 -2.32 -0.05 0.00 -1.53 0.00 0.00 36.38 32.45 1x5m s VAL 95 CO 0.05 0.49 0.33 -0.76 -3.33 0.00 0.00 175.10 171.88 1x5m s LEU 96 N 0.85 4.33 -0.35 2.54 1.43 0.59 -2.15 118.68 125.92 1x5m s LEU 96 Ca -0.03 0.60 -0.00 0.00 -1.03 0.00 0.00 54.13 53.67 1x5m s LEU 96 Cb -0.15 -2.98 0.14 0.00 0.03 0.00 0.00 46.19 43.23 1x5m s LEU 96 CO 0.00 0.16 0.21 -0.63 0.23 0.00 0.00 176.35 176.32 1x5m s ILE 97 N -1.46 0.13 0.10 -0.59 -1.09 -0.78 -1.33 121.20 116.19 1x5m s ILE 97 Ca 0.34 -1.67 -0.30 0.00 -2.23 0.00 0.00 60.65 56.79 1x5m s ILE 97 Cb -0.13 -1.11 -0.06 0.00 -1.58 0.00 0.00 42.46 39.58 1x5m s ILE 97 CO 0.20 -0.98 1.12 -0.76 -1.23 0.00 0.00 174.94 173.29 1x5m s LEU 98 N 1.11 4.42 -0.26 2.97 1.43 -0.19 -1.66 118.68 126.51 1x5m s LEU 98 Ca 0.18 1.99 0.01 0.00 -1.03 0.00 0.00 54.13 55.28 1x5m s LEU 98 Cb -0.23 -3.59 0.05 0.00 0.03 0.00 0.00 46.19 42.45 1x5m s LEU 98 CO -0.00 -0.32 -0.09 0.00 0.23 0.00 0.00 176.35 176.16 1x5m s ARG 100 N 1.18 2.53 0.23 0.00 6.06 -1.26 -1.36 118.95 126.33 1x5m s ARG 100 Ca -0.06 1.19 -0.32 0.00 -2.50 0.00 0.00 55.73 54.05 1x5m s ARG 100 Cb -0.19 -4.45 -0.14 0.00 0.06 0.00 0.00 34.95 30.24 1x5m s ARG 100 CO -0.05 -2.81 1.40 1.63 -2.50 0.00 0.00 175.30 172.98 1x5m n LYS 101 N 8.98 1.99 0.09 5.12 5.02 -1.26 0.26 118.16 138.35 1x5m n LYS 101 Ca 0.29 0.71 -0.08 0.00 -2.02 0.00 0.00 58.31 57.20 1x5m n LYS 101 Cb 0.52 -2.36 -0.01 0.00 -0.02 0.00 0.00 35.03 33.15 1x5m n LYS 101 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1x5m h LYS 102 N 4.28 0.17 -3.54 1.97 3.64 -1.78 -3.40 116.57 117.92 1x5m h LYS 102 Ca -0.45 -0.19 -0.30 0.00 -1.27 0.00 0.00 60.65 58.44 1x5m h LYS 102 Cb 1.28 0.06 -0.34 0.00 -0.41 0.00 0.00 32.23 32.82 1x5m h LYS 102 CO 0.76 0.95 -0.73 0.08 -2.27 0.00 0.00 179.45 178.24 1x5m s VAL 103 N -3.17 -0.05 0.89 2.00 1.01 -1.26 -4.98 120.40 114.84 1x5m s VAL 103 Ca -0.03 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.04 1x5m s VAL 103 Cb 0.10 -0.08 0.13 0.00 0.00 0.00 0.00 36.38 36.53 1x5m s VAL 103 CO 0.83 0.09 1.15 -1.61 0.00 0.00 0.00 175.10 175.55 1x5m s GLU 104 N 1.02 1.29 -1.34 2.72 8.01 -1.26 -4.10 118.70 125.04 1x5m s GLU 104 Ca -0.09 0.24 -0.04 0.00 0.01 0.00 0.00 54.97 55.10 1x5m s GLU 104 Cb -0.12 -1.86 0.02 0.00 -4.31 0.00 0.00 34.13 27.85 1x5m s GLU 104 CO -0.03 -2.09 0.85 -1.71 0.01 0.00 0.00 175.26 172.30 1x5m n ASN 105 N -3.68 -2.49 -3.93 -0.19 2.85 -1.26 -4.94 115.26 101.62 1x5m n ASN 105 Ca 0.07 -0.75 -0.26 0.00 -0.11 0.00 0.00 54.58 53.53 1x5m n ASN 105 Cb 0.60 -4.30 -0.17 0.00 1.24 0.00 0.00 39.78 37.14 1x5m n ASN 105 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1x5m s THR 106 N -3.51 0.99 0.30 -0.44 2.01 -1.26 -5.07 115.64 108.65 1x5m s THR 106 Ca 0.18 -0.30 -0.13 0.00 0.31 0.00 0.00 61.69 61.75 1x5m s THR 106 Cb -0.09 -0.99 -0.08 0.00 0.01 0.00 0.00 72.50 71.35 1x5m s THR 106 CO 0.79 0.35 0.68 -0.60 -0.69 0.00 0.00 174.62 175.15 1x5m s ARG 107 N 1.42 3.91 -0.35 4.92 6.06 -1.26 -4.66 118.95 129.00 1x5m s ARG 107 Ca -0.01 0.52 0.03 0.00 -2.50 0.00 0.00 55.73 53.77 1x5m s ARG 107 Cb -0.13 -2.50 0.10 0.00 0.06 0.00 0.00 34.95 32.48 1x5m s ARG 107 CO -0.05 0.19 0.07 -1.58 -2.50 0.00 0.00 175.30 171.44 1x5m s TRP 108 N -1.97 3.73 0.18 5.12 0.52 -1.26 -4.93 118.94 120.33 1x5m s TRP 108 Ca 0.52 -2.89 0.35 0.00 0.02 0.00 0.00 56.10 54.10 1x5m s TRP 108 Cb -0.10 -2.96 1.54 0.00 -1.15 0.00 0.00 33.47 30.79 1x5m s TRP 108 CO 0.20 -0.95 2.04 -0.44 0.02 0.00 0.00 176.95 177.82 1x5m h ASP 109 N 7.69 0.00 -4.97 2.95 3.32 -1.96 -3.44 116.42 120.01 1x5m h ASP 109 Ca -0.06 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 1x5m h ASP 109 Cb 1.03 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.37 1x5m h ASP 109 CO 0.55 0.00 -0.25 -0.31 -1.72 0.00 0.00 179.24 177.51 1x5m s TYR 110 N -3.74 -0.21 0.32 4.55 2.02 -1.26 -5.03 117.35 114.00 1x5m s TYR 110 Ca 0.00 0.32 0.02 0.00 -0.37 0.00 0.00 57.07 57.04 1x5m s TYR 110 Cb 0.10 0.12 0.58 0.00 -0.40 0.00 0.00 41.96 42.35 1x5m s TYR 110 CO 0.51 -0.40 1.95 1.25 -1.57 0.00 0.00 175.55 177.29 1x5m h LEU 111 N 3.84 0.83 -8.88 -1.29 7.12 -1.97 -3.40 115.31 111.56 1x5m h LEU 111 Ca -0.29 -0.00 -0.46 0.00 0.13 0.00 0.00 57.88 57.25 1x5m h LEU 111 Cb 1.17 -0.19 -0.15 0.00 -0.53 0.00 0.00 40.66 40.97 1x5m h LEU 111 CO 0.40 0.56 -0.74 0.42 -0.13 0.00 0.00 178.44 178.94 1x5m s THR 112 N -5.83 1.76 0.21 1.05 -4.23 -1.26 -4.04 115.64 103.30 1x5m s THR 112 Ca -0.11 -2.15 -0.04 0.00 -1.18 0.00 0.00 61.69 58.21 1x5m s THR 112 Cb 0.19 -2.00 0.04 0.00 1.34 0.00 0.00 72.50 72.07 1x5m s THR 112 CO 0.79 -0.54 1.64 -0.61 -0.54 0.00 0.00 174.62 175.35 1x5m h GLN 113 N 2.70 0.79 -0.60 3.99 4.15 -0.62 -3.19 115.11 122.33 1x5m h GLN 113 Ca -0.39 -0.31 0.06 0.00 0.77 0.00 0.00 58.65 58.78 1x5m h GLN 113 Cb 1.22 -0.04 -0.09 0.00 0.21 0.00 0.00 27.48 28.78 1x5m h GLN 113 CO 0.60 0.93 -0.52 -0.24 -1.93 0.00 0.00 178.83 177.66 1x5m h VAL 114 N 0.70 0.00 -0.91 2.39 3.04 -1.86 0.62 116.25 120.22 1x5m h VAL 114 Ca 0.10 0.00 0.32 0.00 -1.01 0.00 0.00 66.70 66.11 1x5m h VAL 114 Cb 0.71 0.00 -0.17 0.00 -2.01 0.00 0.00 31.29 29.82 1x5m h VAL 114 CO 0.05 0.00 0.28 1.21 -1.01 0.00 0.00 177.57 178.10 1x5m n GLU 115 N -5.11 -0.06 0.38 4.17 4.07 -1.20 0.18 120.64 123.08 1x5m n GLU 115 Ca -0.01 1.30 -0.17 0.00 -0.06 0.00 0.00 57.16 58.22 1x5m n GLU 115 Cb 0.28 -2.21 -0.09 0.00 -0.06 0.00 0.00 31.44 29.36 1x5m n GLU 115 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1x5m h LYS 116 N 0.00 -0.94 0.00 5.31 1.63 0.08 1.26 116.57 123.91 1x5m h LYS 116 Ca 0.67 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.54 1x5m h LYS 116 Cb 1.63 0.21 0.00 0.00 -0.60 0.00 0.00 32.23 33.47 1x5m h LYS 116 CO -0.77 -0.60 0.00 -0.85 -3.45 0.00 0.00 179.45 173.78 1x5m n GLU 117 N -5.47 0.10 -0.07 1.90 0.28 0.24 0.10 120.64 117.73 1x5m n GLU 117 Ca -0.13 0.49 -0.07 0.00 -0.16 0.00 0.00 57.16 57.28 1x5m n GLU 117 Cb 0.40 -1.77 -0.03 0.00 1.43 0.00 0.00 31.44 31.47 1x5m n GLU 117 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x5m h LYS 119 N -1.00 0.46 -4.60 0.00 6.56 0.19 -3.32 116.57 114.86 1x5m h LYS 119 Ca -0.06 -0.07 -0.73 0.00 -1.06 0.00 0.00 60.65 58.73 1x5m h LYS 119 Cb 0.59 -0.08 -0.20 0.00 -0.57 0.00 0.00 32.23 31.97 1x5m h LYS 119 CO -0.04 0.44 0.76 -1.21 -2.06 0.00 0.00 179.45 177.34 1x5m s GLU 120 N -5.67 3.76 0.71 3.15 0.41 0.29 -5.02 118.70 116.33 1x5m s GLU 120 Ca -0.13 -2.21 -0.12 0.00 -0.41 0.00 0.00 54.97 52.10 1x5m s GLU 120 Cb 0.09 -4.82 0.18 0.00 -1.78 0.00 0.00 34.13 27.80 1x5m s GLU 120 CO 0.73 -1.63 0.54 1.17 -0.49 0.00 0.00 175.26 175.59 1x5m n LYS 121 N 5.49 -2.66 -3.16 1.61 3.00 -1.25 -4.47 118.16 116.72 1x5m n LYS 121 Ca 0.25 -0.88 -0.19 0.00 -0.00 0.00 0.00 58.31 57.48 1x5m n LYS 121 Cb 0.46 -0.93 0.02 0.00 0.00 0.00 0.00 35.03 34.58 1x5m n LYS 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1x5m n SER 122 N -4.19 -6.89 0.00 3.14 2.88 -1.26 -4.97 113.62 102.33 1x5m n SER 122 Ca 0.08 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1x5m n SER 122 Cb 0.32 -3.85 0.00 0.00 -0.75 0.00 0.00 64.21 59.93 1x5m n SER 122 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5m n GLY 123 N -0.51 1.50 3.41 0.46 0.00 -1.26 -5.04 105.19 103.75 1x5m n GLY 123 Ca 0.01 0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 2.35 -2.60 1.61 -0.04 -1.26 -4.22 135.00 130.84 1x5m n PRO 124 Ca 0.00 -2.71 -0.05 0.00 -0.04 0.00 0.00 63.50 60.70 1x5m n PRO 124 Cb 0.00 -3.48 0.01 0.00 -0.04 0.00 0.00 33.50 29.99 1x5m n PRO 124 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x5m n SER 125 N 10.14 -6.65 -4.60 3.54 7.64 -1.26 -5.03 113.62 117.41 1x5m n SER 125 Ca 0.48 0.31 -0.34 0.00 1.01 0.00 0.00 58.87 60.33 1x5m n SER 125 Cb 0.45 -4.44 -0.11 0.00 -1.01 0.00 0.00 64.21 59.10 1x5m n SER 125 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5m s SER 126 N -2.39 4.80 0.00 6.43 1.04 -1.26 -5.17 113.70 117.16 1x5m s SER 126 Ca 0.15 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1x5m s SER 126 Cb -0.04 -1.32 0.00 0.00 0.10 0.00 0.00 66.02 64.76 1x5m s SER 126 CO 0.60 0.34 0.00 0.61 0.98 0.00 0.00 173.24 175.77