#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 -0.75 -0.20 1.61 0.15 -1.26 -5.14 113.70 108.11 1x5m s SER 2 Ca 0.00 0.63 -0.02 0.00 0.70 0.00 0.00 55.95 57.27 1x5m s SER 2 Cb 0.00 1.70 0.06 0.00 -1.71 0.00 0.00 66.02 66.07 1x5m s SER 2 CO 0.00 -0.14 0.01 -0.44 1.20 0.00 0.00 173.24 173.87 1x5m s SER 3 N 2.79 3.18 0.00 5.45 0.01 -1.26 -5.02 113.70 118.85 1x5m s SER 3 Ca 0.04 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.38 1x5m s SER 3 Cb -0.10 -0.77 0.00 0.00 0.21 0.00 0.00 66.02 65.35 1x5m s SER 3 CO -0.16 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 173.82 1x5m n GLY 4 N 4.93 -0.98 3.05 3.44 0.00 -1.26 -5.14 105.19 109.24 1x5m n GLY 4 Ca -0.10 0.78 -0.02 0.00 0.00 0.00 0.00 46.02 46.68 1x5m n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5m s SER 5 N 0.00 -0.74 0.34 1.61 0.01 -1.26 -5.10 113.70 108.56 1x5m s SER 5 Ca 0.00 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1x5m s SER 5 Cb 0.00 1.61 0.00 0.00 0.21 0.00 0.00 66.02 67.84 1x5m s SER 5 CO 0.00 -0.30 0.00 -1.20 0.41 0.00 0.00 173.24 172.15 1x5m n SER 6 N 5.18 -7.63 -3.06 2.44 7.64 -1.26 -4.98 113.62 111.95 1x5m n SER 6 Ca 0.05 1.04 -0.16 0.00 1.01 0.00 0.00 58.87 60.81 1x5m n SER 6 Cb 0.52 -3.73 -0.00 0.00 -1.01 0.00 0.00 64.21 59.99 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 -0.12 2.88 3.10 0.23 0.00 -1.26 -5.08 105.19 104.93 1x5m n GLY 7 Ca 0.00 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.94 1.75 -0.10 1.61 1.01 -1.26 -5.11 120.40 116.36 1x5m s VAL 8 Ca 0.36 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1x5m s VAL 8 Cb 0.35 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 35.18 1x5m s VAL 8 CO -0.07 0.49 -0.07 0.54 0.00 0.00 0.00 175.10 175.99 1x5m s VAL 9 N 1.00 0.96 -0.08 2.92 0.11 -1.26 -5.12 120.40 118.92 1x5m s VAL 9 Ca -0.05 -0.26 0.01 0.00 -2.93 0.00 0.00 61.98 58.75 1x5m s VAL 9 Cb -0.15 -0.98 0.02 0.00 -1.53 0.00 0.00 36.38 33.74 1x5m s VAL 9 CO -0.03 0.35 -0.11 0.00 -3.33 0.00 0.00 175.10 171.98 1x5m s ALA 10 N 1.58 1.29 -1.14 1.54 0.00 -1.26 -5.06 121.76 118.71 1x5m s ALA 10 Ca 0.02 -0.46 -0.22 0.00 0.00 0.00 0.00 51.96 51.30 1x5m s ALA 10 Cb -0.13 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.31 1x5m s ALA 10 CO -0.06 -0.04 1.78 -1.25 0.00 0.00 0.00 175.76 176.18 1x5m s PRO 11 N 0.97 3.19 -0.37 0.00 0.04 -1.26 -4.91 135.00 132.66 1x5m s PRO 11 Ca -0.09 -1.26 -0.09 0.00 0.04 0.00 0.00 61.00 59.60 1x5m s PRO 11 Cb -0.15 -5.33 0.04 0.00 0.04 0.00 0.00 34.50 29.10 1x5m s PRO 11 CO 0.00 -2.98 0.19 0.96 0.04 0.00 0.00 177.00 175.21 1x5m s ILE 12 N 7.51 4.28 -0.30 0.56 -4.36 -1.26 -5.04 121.20 122.59 1x5m s ILE 12 Ca 0.60 -1.04 -0.01 0.00 -0.26 0.00 0.00 60.65 59.93 1x5m s ILE 12 Cb -0.00 -3.44 0.05 0.00 1.25 0.00 0.00 42.46 40.32 1x5m s ILE 12 CO 0.04 -0.27 0.00 0.42 0.24 0.00 0.00 174.94 175.37 1x5m s THR 13 N 1.49 2.91 0.00 8.37 -4.23 -1.26 -4.69 115.64 118.23 1x5m s THR 13 Ca 0.01 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1x5m s THR 13 Cb -0.20 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1x5m s THR 13 CO 0.05 -0.14 0.00 0.35 -0.54 0.00 0.00 174.62 174.34 1x5m n THR 14 N 4.60 0.00 -3.88 3.99 -2.24 -1.26 -4.83 114.28 110.65 1x5m n THR 14 Ca -0.12 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.36 1x5m n THR 14 Cb 0.43 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.50 1x5m n THR 14 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x5m s GLY 15 N -1.88 1.19 -0.13 3.38 0.00 -1.26 -5.10 107.32 103.52 1x5m s GLY 15 Ca 0.00 -1.33 -0.30 0.00 0.00 0.00 0.00 44.72 43.09 1x5m s GLY 15 CO 0.00 1.09 0.99 -2.52 0.00 0.00 0.00 173.10 172.66 1x5m s TYR 16 N 1.48 -0.35 0.06 1.90 -0.85 -1.26 -4.90 117.35 113.43 1x5m s TYR 16 Ca -0.02 0.50 0.06 0.00 -0.52 0.00 0.00 57.07 57.09 1x5m s TYR 16 Cb -0.18 0.47 -0.03 0.00 0.38 0.00 0.00 41.96 42.60 1x5m s TYR 16 CO -0.09 -0.37 -0.16 0.99 -1.52 0.00 0.00 175.55 174.40 1x5m s THR 17 N -1.62 1.31 0.58 -3.49 2.01 -1.26 -4.51 115.64 108.66 1x5m s THR 17 Ca 0.00 -1.18 -0.16 0.00 0.31 0.00 0.00 61.69 60.67 1x5m s THR 17 Cb -0.01 -1.19 -0.05 0.00 0.01 0.00 0.00 72.50 71.27 1x5m s THR 17 CO -0.01 -0.01 1.03 -0.69 -0.69 0.00 0.00 174.62 174.25 1x5m s VAL 18 N -0.97 4.07 -0.23 3.82 1.01 0.52 -4.77 120.40 123.85 1x5m s VAL 18 Ca 0.03 0.96 -0.07 0.00 0.00 0.00 0.00 61.98 62.89 1x5m s VAL 18 Cb -0.09 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1x5m s VAL 18 CO 0.02 -0.60 0.06 -1.59 0.00 0.00 0.00 175.10 172.99 1x5m s LYS 19 N -4.16 3.71 -0.91 2.72 -2.85 -1.26 0.15 119.74 117.15 1x5m s LYS 19 Ca 0.62 -0.46 -0.22 0.00 -1.00 0.00 0.00 55.97 54.91 1x5m s LYS 19 Cb -0.14 -3.26 0.08 0.00 -2.06 0.00 0.00 37.83 32.45 1x5m s LYS 19 CO 0.37 -0.06 1.24 0.42 0.10 0.00 0.00 175.35 177.42 1x5m s ILE 20 N 1.26 4.26 -0.07 3.79 1.01 -0.43 -4.83 121.20 126.18 1x5m s ILE 20 Ca 0.05 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 1x5m s ILE 20 Cb -0.15 -4.89 -0.01 0.00 0.01 0.00 0.00 42.46 37.43 1x5m s ILE 20 CO 0.03 -1.70 0.07 0.28 0.00 0.00 0.00 174.94 173.62 1x5m h SER 21 N 9.43 -0.05 -3.17 3.58 0.02 -1.96 -3.44 113.55 117.97 1x5m h SER 21 Ca 0.06 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.43 1x5m h SER 21 Cb 1.03 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 63.51 1x5m h SER 21 CO 1.26 0.35 0.67 0.21 -1.14 0.00 0.00 176.83 178.18 1x5m s ASN 22 N -4.96 6.99 -0.14 3.07 3.84 -1.26 -5.01 114.94 117.46 1x5m s ASN 22 Ca -0.01 1.23 -0.10 0.00 0.21 0.00 0.00 52.86 54.19 1x5m s ASN 22 Cb 0.00 -2.50 0.04 0.00 -0.55 0.00 0.00 41.25 38.25 1x5m s ASN 22 CO 0.02 -0.62 0.35 -0.72 -2.79 0.00 0.00 177.10 173.34 1x5m s TYR 23 N 3.08 -0.44 0.22 0.43 -0.85 -1.26 -4.80 117.35 113.73 1x5m s TYR 23 Ca 0.40 1.02 -0.30 0.00 -0.52 0.00 0.00 57.07 57.68 1x5m s TYR 23 Cb -0.15 0.16 -0.09 0.00 0.38 0.00 0.00 41.96 42.26 1x5m s TYR 23 CO 0.07 -0.24 0.94 0.20 -1.52 0.00 0.00 175.55 175.00 1x5m s GLY 24 N 0.76 3.10 0.06 5.49 0.00 -0.36 -4.96 107.32 111.42 1x5m s GLY 24 Ca -0.05 0.61 -0.08 0.00 0.00 0.00 0.00 44.72 45.21 1x5m s GLY 24 CO -0.05 1.23 0.16 0.66 0.00 0.00 0.00 173.10 175.09 1x5m s TRP 25 N -1.02 0.15 0.32 1.90 1.48 -1.26 0.86 118.94 121.37 1x5m s TRP 25 Ca 0.42 -0.50 -0.17 0.00 -1.06 0.00 0.00 56.10 54.78 1x5m s TRP 25 Cb -0.26 -0.08 0.03 0.00 -1.16 0.00 0.00 33.47 32.00 1x5m s TRP 25 CO 0.32 -0.47 0.71 0.34 -4.06 0.00 0.00 176.95 173.79 1x5m s ASP 26 N -2.49 -0.09 -0.07 -2.66 2.15 -0.84 -4.93 116.67 107.74 1x5m s ASP 26 Ca 0.00 -0.87 -0.16 0.00 0.43 0.00 0.00 52.55 51.94 1x5m s ASP 26 Cb 0.02 0.76 0.03 0.00 -0.30 0.00 0.00 42.92 43.43 1x5m s ASP 26 CO -0.08 -1.45 0.39 0.00 -0.17 0.00 0.00 175.17 173.86 1x5m s GLN 27 N -3.32 0.64 0.03 4.34 0.00 -1.26 -3.07 119.66 117.02 1x5m s GLN 27 Ca 0.15 0.14 -0.00 0.00 -0.00 0.00 0.00 55.36 55.64 1x5m s GLN 27 Cb -0.05 0.30 -0.03 0.00 0.00 0.00 0.00 33.01 33.23 1x5m s GLN 27 CO 0.09 -0.15 -0.03 -1.12 0.00 0.00 0.00 175.29 174.08 1x5m s SER 28 N -0.74 0.37 -1.11 12.60 0.01 -0.89 -4.96 113.70 118.98 1x5m s SER 28 Ca -0.08 -0.73 -0.25 0.00 1.31 0.00 0.00 55.95 56.19 1x5m s SER 28 Cb -0.04 0.14 -0.19 0.00 0.21 0.00 0.00 66.02 66.15 1x5m s SER 28 CO 0.04 -0.43 2.04 0.47 0.41 0.00 0.00 173.24 175.77 1x5m n ASP 29 N 0.91 1.96 0.00 2.44 9.92 -1.26 -2.05 116.55 128.47 1x5m n ASP 29 Ca -0.19 -2.57 0.00 0.00 -0.53 0.00 0.00 54.79 51.50 1x5m n ASP 29 Cb 0.58 -1.72 0.00 0.00 -0.64 0.00 0.00 41.12 39.34 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 8.17 0.00 -3.85 -1.24 5.02 -1.26 -4.50 118.16 120.50 1x5m n LYS 30 Ca 0.43 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.63 1x5m n LYS 30 Cb 0.47 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.44 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 0.02 0.02 2.13 0.08 -0.87 -4.03 117.98 115.33 1x5m s PHE 31 Ca 0.00 -0.40 0.08 0.00 0.12 0.00 0.00 56.93 56.74 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 -1.02 -0.25 0.08 -0.10 0.00 0.00 175.22 173.93 1x5m s VAL 32 N -3.93 2.20 0.06 -0.44 1.01 0.21 -2.11 120.40 117.40 1x5m s VAL 32 Ca 0.14 -1.25 -0.09 0.00 0.00 0.00 0.00 61.98 60.78 1x5m s VAL 32 Cb -0.02 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.53 1x5m s VAL 32 CO 0.03 0.45 0.18 -1.59 0.00 0.00 0.00 175.10 174.18 1x5m s LYS 33 N -1.01 0.73 0.01 2.72 -2.85 -1.18 0.21 119.74 118.38 1x5m s LYS 33 Ca 0.11 -0.75 0.06 0.00 -1.00 0.00 0.00 55.97 54.39 1x5m s LYS 33 Cb -0.10 0.30 -0.02 0.00 -2.06 0.00 0.00 37.83 35.95 1x5m s LYS 33 CO 0.01 -0.22 -0.17 0.42 0.10 0.00 0.00 175.35 175.49 1x5m s ILE 34 N -3.01 1.35 -0.26 3.79 1.09 -1.01 -1.99 121.20 121.16 1x5m s ILE 34 Ca -0.02 -0.90 0.03 0.00 -1.10 0.00 0.00 60.65 58.66 1x5m s ILE 34 Cb 0.01 -1.16 0.06 0.00 -1.06 0.00 0.00 42.46 40.31 1x5m s ILE 34 CO -0.06 0.24 -0.10 -0.31 -0.10 0.00 0.00 174.94 174.61 1x5m s TYR 35 N -0.60 3.28 0.08 3.97 2.02 0.25 -1.82 117.35 124.52 1x5m s TYR 35 Ca 0.06 -2.33 0.05 0.00 -0.37 0.00 0.00 57.07 54.47 1x5m s TYR 35 Cb -0.07 -1.96 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 1x5m s TYR 35 CO 0.00 -0.88 -0.03 0.42 -1.57 0.00 0.00 175.55 173.50 1x5m s ILE 36 N 1.10 3.87 -0.36 2.71 1.09 -1.18 -1.22 121.20 127.21 1x5m s ILE 36 Ca -0.08 -0.99 -0.18 0.00 -1.10 0.00 0.00 60.65 58.30 1x5m s ILE 36 Cb -0.20 -2.81 0.00 0.00 -1.06 0.00 0.00 42.46 38.39 1x5m s ILE 36 CO -0.05 0.17 0.51 -0.89 -0.10 0.00 0.00 174.94 174.58 1x5m s THR 37 N -1.24 5.01 -0.28 2.92 2.01 -1.26 -1.98 115.64 120.82 1x5m s THR 37 Ca 0.23 0.24 -0.01 0.00 0.31 0.00 0.00 61.69 62.46 1x5m s THR 37 Cb -0.11 -3.99 0.13 0.00 0.01 0.00 0.00 72.50 68.53 1x5m s THR 37 CO 0.16 -0.27 0.27 -0.22 -0.69 0.00 0.00 174.62 173.87 1x5m s LEU 38 N 2.39 -0.16 -0.15 4.42 1.98 0.85 -4.94 118.68 123.07 1x5m s LEU 38 Ca 0.18 -0.69 -0.29 0.00 -2.89 0.00 0.00 54.13 50.43 1x5m s LEU 38 Cb -0.15 0.43 -0.02 0.00 0.66 0.00 0.00 46.19 47.11 1x5m s LEU 38 CO 0.14 -0.38 1.26 -0.89 -1.89 0.00 0.00 176.35 174.58 1x5m s THR 39 N 2.34 4.27 0.00 3.68 2.01 -1.25 -2.68 115.64 124.01 1x5m s THR 39 Ca 0.09 1.55 0.00 0.00 0.31 0.00 0.00 61.69 63.64 1x5m s THR 39 Cb -0.14 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.37 1x5m s THR 39 CO -0.30 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.12 1x5m n GLY 40 N 3.58 2.40 0.34 4.40 0.00 -1.26 -3.78 105.19 110.87 1x5m n GLY 40 Ca 0.14 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.33 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 0.49 -0.00 1.61 3.04 -1.86 1.44 116.25 120.96 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 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 30.12 1x5m h VAL 41 CO 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 177.57 176.49 1x5m n HIS 42 N -3.84 0.00 -0.07 3.17 1.44 -1.26 -3.63 115.22 111.03 1x5m n HIS 42 Ca 0.02 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.64 1x5m n HIS 42 Cb 0.33 -0.11 -0.08 0.00 0.12 0.00 0.00 29.99 30.25 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 -0.75 1.01 -1.68 -1.40 6.02 0.46 -5.01 117.38 116.03 1x5m n GLN 43 Ca 0.17 0.05 -0.34 0.00 -0.01 0.00 0.00 57.00 56.88 1x5m n GLN 43 Cb 0.26 -1.31 0.06 0.00 1.02 0.00 0.00 30.24 30.26 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 -2.31 2.85 0.89 5.09 -7.23 0.68 -5.01 120.40 115.36 1x5m s VAL 44 Ca -0.15 0.42 -0.12 0.00 -1.81 0.00 0.00 61.98 60.32 1x5m s VAL 44 Cb 0.05 -2.97 0.12 0.00 0.56 0.00 0.00 36.38 34.14 1x5m s VAL 44 CO 0.41 -0.22 1.13 -2.16 -0.31 0.00 0.00 175.10 173.95 1x5m s PRO 45 N -3.92 1.35 0.00 4.82 0.04 -1.26 -4.92 135.00 131.10 1x5m s PRO 45 Ca 0.71 0.36 0.22 0.00 0.04 0.00 0.00 61.00 62.33 1x5m s PRO 45 Cb -0.24 -1.86 1.20 0.00 0.04 0.00 0.00 34.50 33.64 1x5m s PRO 45 CO 0.41 -2.07 1.72 -2.37 0.04 0.00 0.00 177.00 174.74 1x5m n THR 46 N -3.69 0.21 0.02 1.26 5.66 -1.26 -2.39 114.28 114.08 1x5m n THR 46 Ca 0.07 0.05 -0.06 0.00 -3.05 0.00 0.00 64.05 61.05 1x5m n THR 46 Cb 0.59 -0.69 -0.12 0.00 -1.55 0.00 0.00 70.33 68.56 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 -2.01 -3.27 114.58 114.50 1x5m h GLU 47 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1x5m h GLU 47 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1x5m h GLU 47 CO 0.00 0.61 -0.11 -0.91 0.07 0.00 0.00 179.01 178.67 1x5m h ASN 48 N 0.00 0.00 -3.63 3.06 4.21 -1.79 -3.42 115.58 114.02 1x5m h ASN 48 Ca -0.18 -0.03 -0.68 0.00 1.21 0.00 0.00 56.30 56.62 1x5m h ASN 48 Cb 1.86 0.00 -0.29 0.00 -1.12 0.00 0.00 38.32 38.77 1x5m h ASN 48 CO 0.09 0.02 -0.65 -0.69 -1.29 0.00 0.00 177.43 174.90 1x5m s VAL 49 N -3.13 3.56 -0.22 2.81 1.01 -1.21 0.22 120.40 123.45 1x5m s VAL 49 Ca 0.09 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1x5m s VAL 49 Cb 0.11 -2.91 0.03 0.00 0.00 0.00 0.00 36.38 33.61 1x5m s VAL 49 CO 0.63 0.00 -0.15 -1.10 0.00 0.00 0.00 175.10 174.48 1x5m s GLN 50 N 1.40 2.77 -0.03 2.72 -0.21 -0.11 -4.84 119.66 121.36 1x5m s GLN 50 Ca -0.00 -0.99 0.02 0.00 0.02 0.00 0.00 55.36 54.41 1x5m s GLN 50 Cb -0.18 -2.74 0.00 0.00 1.00 0.00 0.00 33.01 31.09 1x5m s GLN 50 CO 0.01 -0.34 -0.08 0.54 -2.12 0.00 0.00 175.29 173.29 1x5m s VAL 51 N 1.25 0.71 -0.03 1.09 0.11 -1.26 0.20 120.40 122.47 1x5m s VAL 51 Ca 0.00 -0.32 0.05 0.00 -2.93 0.00 0.00 61.98 58.79 1x5m s VAL 51 Cb -0.16 -0.64 -0.01 0.00 -1.53 0.00 0.00 36.38 34.04 1x5m s VAL 51 CO -0.09 0.23 -0.19 -2.28 -3.33 0.00 0.00 175.10 169.43 1x5m s HIS 52 N 0.24 1.83 0.01 1.54 5.04 0.48 -4.97 115.29 119.46 1x5m s HIS 52 Ca -0.04 -0.44 0.01 0.00 -1.54 0.00 0.00 55.06 53.06 1x5m s HIS 52 Cb -0.08 -1.20 -0.04 0.00 0.04 0.00 0.00 32.58 31.30 1x5m s HIS 52 CO 0.00 -0.10 0.04 -0.06 -2.34 0.00 0.00 174.74 172.28 1x5m s PHE 53 N -0.24 3.15 0.00 3.88 0.08 -1.26 -0.86 117.98 122.74 1x5m s PHE 53 Ca 0.02 0.12 0.00 0.00 0.12 0.00 0.00 56.93 57.19 1x5m s PHE 53 Cb -0.10 -1.68 0.00 0.00 -0.57 0.00 0.00 43.02 40.67 1x5m s PHE 53 CO 0.01 0.50 0.00 0.25 -0.10 0.00 0.00 175.22 175.88 1x5m n THR 54 N 1.17 0.00 0.07 0.64 -2.24 -0.61 -4.79 114.28 108.53 1x5m n THR 54 Ca -0.13 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.43 1x5m n THR 54 Cb 0.53 0.00 -0.13 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 0.58 -1.77 -0.78 4.11 -1.93 -3.38 114.58 111.42 1x5m h GLU 55 Ca 0.00 -0.76 -0.50 0.00 0.07 0.00 0.00 59.36 58.17 1x5m h GLU 55 Cb 0.00 0.24 -0.36 0.00 0.50 0.00 0.00 28.75 29.13 1x5m h GLU 55 CO 0.00 1.33 -1.06 0.54 0.07 0.00 0.00 179.01 179.89 1x5m n ARG 56 N -3.88 0.79 0.00 1.06 5.12 -1.26 0.15 116.66 118.64 1x5m n ARG 56 Ca -0.13 -3.09 0.00 0.00 -1.93 0.00 0.00 57.85 52.69 1x5m n ARG 56 Cb 0.92 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 30.87 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 1.11 0.00 -3.65 0.55 3.41 -1.26 -3.16 113.62 110.61 1x5m n SER 57 Ca 0.21 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.75 1x5m n SER 57 Cb 0.58 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.46 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 -1.04 -0.03 7.33 -0.12 -0.31 -1.57 117.98 120.24 1x5m s PHE 58 Ca 0.00 2.02 -0.01 0.00 -0.05 0.00 0.00 56.93 58.89 1x5m s PHE 58 Cb 0.00 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.95 1x5m s PHE 58 CO 0.00 -0.53 0.05 0.16 -0.05 0.00 0.00 175.22 174.86 1x5m s ASP 59 N 1.89 5.53 -0.10 1.98 -4.77 -0.04 -1.02 116.67 120.14 1x5m s ASP 59 Ca -0.09 0.14 -0.03 0.00 -3.30 0.00 0.00 52.55 49.27 1x5m s ASP 59 Cb -0.07 -1.57 0.05 0.00 -1.09 0.00 0.00 42.92 40.24 1x5m s ASP 59 CO -0.18 0.31 0.13 -0.22 0.70 0.00 0.00 175.17 175.90 1x5m s LEU 60 N -1.46 0.05 0.07 2.11 0.20 0.32 -0.39 118.68 119.59 1x5m s LEU 60 Ca 0.19 0.03 0.05 0.00 0.69 0.00 0.00 54.13 55.10 1x5m s LEU 60 Cb -0.12 0.08 -0.04 0.00 -0.43 0.00 0.00 46.19 45.69 1x5m s LEU 60 CO 0.10 -0.27 -0.07 -0.22 -0.29 0.00 0.00 176.35 175.59 1x5m s LEU 61 N 2.24 3.15 -0.12 -0.68 1.98 0.54 0.04 118.68 125.82 1x5m s LEU 61 Ca 0.04 -0.27 -0.04 0.00 -2.89 0.00 0.00 54.13 50.97 1x5m s LEU 61 Cb -0.13 -1.89 0.06 0.00 0.66 0.00 0.00 46.19 44.89 1x5m s LEU 61 CO -0.06 0.21 0.14 -0.69 -1.89 0.00 0.00 176.35 174.06 1x5m s VAL 62 N -1.15 -0.21 0.30 1.68 1.01 0.53 -0.93 120.40 121.63 1x5m s VAL 62 Ca 0.21 0.14 0.09 0.00 0.00 0.00 0.00 61.98 62.41 1x5m s VAL 62 Cb -0.11 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 1x5m s VAL 62 CO 0.12 -0.03 0.10 -0.54 0.00 0.00 0.00 175.10 174.75 1x5m s LYS 63 N 2.24 2.42 -0.01 2.72 1.02 0.13 -0.13 119.74 128.13 1x5m s LYS 63 Ca 0.04 -1.44 -0.00 0.00 0.02 0.00 0.00 55.97 54.59 1x5m s LYS 63 Cb -0.14 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.95 1x5m s LYS 63 CO -0.07 0.23 0.00 -1.71 -0.92 0.00 0.00 175.35 172.88 1x5m n ASN 64 N -1.07 -6.67 0.00 2.83 5.15 -1.24 -4.76 115.26 109.50 1x5m n ASN 64 Ca -0.05 0.47 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 1x5m n ASN 64 Cb 0.60 -1.66 0.00 0.00 -0.53 0.00 0.00 39.78 38.20 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 1.38 0.00 -3.66 1.20 7.94 0.55 -4.79 117.00 119.62 1x5m n LEU 65 Ca -0.00 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.47 1x5m n LEU 65 Cb 0.45 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.34 1x5m n LEU 65 CO 0.01 0.00 2.06 -3.20 -1.11 0.00 0.00 177.39 175.15 1x5m n ASN 66 N 0.00 2.47 -1.54 1.96 2.85 -1.25 -3.85 115.26 115.91 1x5m n ASN 66 Ca 0.00 -2.67 -0.19 0.00 -0.11 0.00 0.00 54.58 51.61 1x5m n ASN 66 Cb 0.00 -1.11 -0.07 0.00 1.24 0.00 0.00 39.78 39.84 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 1.52 0.00 8.20 0.00 -1.26 -4.88 105.19 113.39 1x5m n GLY 67 Ca 0.49 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.50 0.00 -4.19 1.61 2.85 -1.25 -5.12 118.16 109.56 1x5m n LYS 68 Ca -0.19 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 56.89 1x5m n LYS 68 Cb 0.63 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.89 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 -0.97 1.71 0.06 -5.58 0.01 -1.26 0.21 113.70 107.87 1x5m s SER 69 Ca 0.00 -0.71 0.05 0.00 1.31 0.00 0.00 55.95 56.60 1x5m s SER 69 Cb 0.00 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.16 1x5m s SER 69 CO 0.00 -0.13 -0.13 -0.31 0.41 0.00 0.00 173.24 173.08 1x5m s TYR 70 N -1.73 1.12 0.01 2.43 1.51 0.81 0.19 117.35 121.69 1x5m s TYR 70 Ca 0.02 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.67 1x5m s TYR 70 Cb -0.07 -0.64 -0.01 0.00 -0.11 0.00 0.00 41.96 41.13 1x5m s TYR 70 CO 0.02 0.03 -0.07 -1.54 -1.11 0.00 0.00 175.55 172.88 1x5m s SER 71 N -1.53 0.84 -0.16 2.29 1.04 0.41 -0.35 113.70 116.24 1x5m s SER 71 Ca -0.02 -0.21 -0.06 0.00 0.48 0.00 0.00 55.95 56.13 1x5m s SER 71 Cb -0.09 -0.07 0.07 0.00 0.10 0.00 0.00 66.02 66.03 1x5m s SER 71 CO 0.02 0.03 0.34 -0.32 0.98 0.00 0.00 173.24 174.28 1x5m s MET 72 N -0.46 0.25 0.01 4.02 0.00 0.11 -1.32 119.30 121.91 1x5m s MET 72 Ca 0.00 0.84 0.02 0.00 0.00 0.00 0.00 55.69 56.56 1x5m s MET 72 Cb -0.04 0.10 -0.01 0.00 0.00 0.00 0.00 34.83 34.87 1x5m s MET 72 CO -0.00 -0.25 -0.07 0.42 0.00 0.00 0.00 175.02 175.13 1x5m s ILE 73 N 2.27 0.50 -0.12 10.11 1.01 -1.26 0.12 121.20 133.83 1x5m s ILE 73 Ca -0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 1x5m s ILE 73 Cb -0.11 -0.48 0.03 0.00 0.01 0.00 0.00 42.46 41.90 1x5m s ILE 73 CO -0.11 -0.06 -0.06 0.68 0.00 0.00 0.00 174.94 175.40 1x5m s VAL 74 N -0.60 0.92 -0.09 2.92 -7.23 -0.19 -4.99 120.40 111.13 1x5m s VAL 74 Ca -0.02 -0.27 0.04 0.00 -1.81 0.00 0.00 61.98 59.92 1x5m s VAL 74 Cb -0.05 -0.99 -0.00 0.00 0.56 0.00 0.00 36.38 35.89 1x5m s VAL 74 CO 0.00 0.30 -0.24 0.20 -0.31 0.00 0.00 175.10 175.05 1x5m s ASN 75 N 1.75 3.11 0.00 4.85 0.01 -1.26 -1.16 114.94 122.24 1x5m s ASN 75 Ca 0.04 -0.54 0.00 0.00 -0.71 0.00 0.00 52.86 51.65 1x5m s ASN 75 Cb -0.13 -1.30 0.00 0.00 0.41 0.00 0.00 41.25 40.23 1x5m s ASN 75 CO -0.08 0.18 0.00 0.59 -1.51 0.00 0.00 177.10 176.28 1x5m n ASN 76 N 3.40 -1.43 -4.74 -1.22 3.02 -1.19 -4.81 115.26 108.28 1x5m n ASN 76 Ca -0.19 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.00 1x5m n ASN 76 Cb 0.53 -0.72 -0.07 0.00 -0.61 0.00 0.00 39.78 38.91 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 -0.49 4.27 0.27 3.41 1.43 -1.24 -1.72 118.68 124.61 1x5m s LEU 77 Ca 0.00 0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 53.62 1x5m s LEU 77 Cb 0.00 -2.39 0.54 0.00 0.03 0.00 0.00 46.19 44.37 1x5m s LEU 77 CO 0.00 0.13 1.41 -0.11 0.23 0.00 0.00 176.35 178.01 1x5m n LEU 78 N 3.36 -0.23 -4.37 1.79 7.94 -1.15 -4.41 117.00 119.93 1x5m n LEU 78 Ca -0.12 1.55 -0.20 0.00 -1.11 0.00 0.00 56.01 56.12 1x5m n LEU 78 Cb 0.52 -0.51 -0.10 0.00 0.53 0.00 0.00 43.42 43.86 1x5m n LEU 78 CO 0.39 -1.52 -0.46 -0.54 -1.11 0.00 0.00 177.39 174.16 1x5m s LYS 79 N -6.02 1.40 0.84 1.96 -0.14 -1.26 -4.92 119.74 111.60 1x5m s LYS 79 Ca -0.13 -1.60 -0.12 0.00 -1.36 0.00 0.00 55.97 52.76 1x5m s LYS 79 Cb 0.25 -1.30 0.10 0.00 -1.68 0.00 0.00 37.83 35.20 1x5m s LYS 79 CO 0.70 0.23 1.11 -1.25 -0.76 0.00 0.00 175.35 175.39 1x5m s PRO 80 N -3.48 1.69 -0.12 -1.68 0.04 -1.26 -4.82 135.00 125.37 1x5m s PRO 80 Ca 0.23 0.49 -0.11 0.00 0.04 0.00 0.00 61.00 61.66 1x5m s PRO 80 Cb -0.02 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.67 1x5m s PRO 80 CO 0.09 -1.86 0.32 0.96 0.04 0.00 0.00 177.00 176.55 1x5m s ILE 81 N -3.21 -0.01 0.43 0.56 -5.25 0.41 -3.25 121.20 110.89 1x5m s ILE 81 Ca 0.62 0.02 -0.25 0.00 -0.99 0.00 0.00 60.65 60.05 1x5m s ILE 81 Cb -0.15 -0.46 -0.08 0.00 2.95 0.00 0.00 42.46 44.72 1x5m s ILE 81 CO 0.54 0.01 1.29 -0.55 -1.79 0.00 0.00 174.94 174.44 1x5m s SER 82 N 0.35 6.15 -0.02 4.36 0.15 -1.08 -3.81 113.70 119.79 1x5m s SER 82 Ca -0.01 2.63 -0.01 0.00 0.70 0.00 0.00 55.95 59.25 1x5m s SER 82 Cb -0.03 -2.63 -0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1x5m s SER 82 CO -0.01 -0.96 -0.02 0.58 1.20 0.00 0.00 173.24 174.03 1x5m h VAL 83 N 2.25 0.00 0.00 4.45 2.07 -1.87 -1.82 116.25 121.33 1x5m h VAL 83 Ca -0.50 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1x5m h VAL 83 Cb 1.25 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1x5m h VAL 83 CO 0.61 0.00 0.27 -0.33 0.02 0.00 0.00 177.57 178.14 1x5m h GLU 84 N -0.17 0.00 0.02 1.57 5.08 -1.93 0.34 114.58 119.48 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 0.06 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 1x5m h GLU 84 CO 0.00 0.00 -1.91 0.41 -1.00 0.00 0.00 179.01 176.51 1x5m n GLY 85 N -1.21 -0.91 3.73 -3.84 0.00 -1.26 -4.94 105.19 96.76 1x5m n GLY 85 Ca -0.02 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 -6.12 4.08 0.13 1.61 0.01 0.12 -4.64 113.70 108.89 1x5m s SER 86 Ca -0.09 2.13 -0.12 0.00 1.31 0.00 0.00 55.95 59.18 1x5m s SER 86 Cb 0.07 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.75 1x5m s SER 86 CO 0.81 -2.33 0.31 -0.44 0.41 0.00 0.00 173.24 172.00 1x5m s SER 87 N -2.60 -0.05 -0.08 2.44 0.01 -0.44 -4.93 113.70 108.06 1x5m s SER 87 Ca 0.68 -0.58 0.04 0.00 1.31 0.00 0.00 55.95 57.40 1x5m s SER 87 Cb -0.23 0.43 -0.00 0.00 0.21 0.00 0.00 66.02 66.43 1x5m s SER 87 CO 0.50 -0.84 -0.21 -1.59 0.41 0.00 0.00 173.24 171.51 1x5m s LYS 88 N -3.87 2.50 0.25 12.44 0.00 -1.26 -0.40 119.74 129.41 1x5m s LYS 88 Ca 0.08 -0.76 0.07 0.00 0.00 0.00 0.00 55.97 55.36 1x5m s LYS 88 Cb 0.03 -1.99 -0.05 0.00 0.00 0.00 0.00 37.83 35.82 1x5m s LYS 88 CO -0.08 0.20 -0.09 0.15 0.00 0.00 0.00 175.35 175.53 1x5m s LYS 89 N 0.25 1.48 -0.06 1.78 1.02 0.25 -4.92 119.74 119.54 1x5m s LYS 89 Ca -0.13 -1.72 -0.00 0.00 0.02 0.00 0.00 55.97 54.14 1x5m s LYS 89 Cb -0.16 -1.15 0.03 0.00 -0.52 0.00 0.00 37.83 36.03 1x5m s LYS 89 CO 0.06 0.09 -0.02 0.08 -0.92 0.00 0.00 175.35 174.64 1x5m s VAL 90 N -3.00 0.46 0.52 3.17 1.01 -1.26 0.12 120.40 121.42 1x5m s VAL 90 Ca 0.27 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.32 1x5m s VAL 90 Cb 0.02 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.87 1x5m s VAL 90 CO 0.10 0.25 0.42 -1.59 0.00 0.00 0.00 175.10 174.28 1x5m s LYS 91 N 1.53 2.30 -0.14 2.72 -2.85 0.53 -4.85 119.74 118.98 1x5m s LYS 91 Ca -0.01 -1.91 -0.35 0.00 -1.00 0.00 0.00 55.97 52.69 1x5m s LYS 91 Cb -0.13 -2.18 -0.12 0.00 -2.06 0.00 0.00 37.83 33.34 1x5m s LYS 91 CO -0.03 -0.55 1.89 2.41 0.10 0.00 0.00 175.35 179.17 1x5m n THR 92 N -1.75 0.51 -3.41 3.79 -1.04 -1.26 -0.57 114.28 110.56 1x5m n THR 92 Ca 0.01 -0.12 -0.22 0.00 -2.04 0.00 0.00 64.05 61.68 1x5m n THR 92 Cb 0.64 -1.78 -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 6.80 -2.42 -3.63 8.00 5.68 -1.26 -4.87 116.55 124.86 1x5m n ASP 93 Ca 0.25 -0.35 -0.16 0.00 -0.50 0.00 0.00 54.79 54.03 1x5m n ASP 93 Cb 0.27 -2.08 -0.07 0.00 -1.14 0.00 0.00 41.12 38.10 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 0.02 -0.23 2.12 2.01 0.27 -0.11 115.64 116.98 1x5m s THR 94 Ca 0.39 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.24 1x5m s THR 94 Cb -0.22 -0.83 0.03 0.00 0.01 0.00 0.00 72.50 71.49 1x5m s THR 94 CO 0.48 -0.09 -0.13 0.54 -0.69 0.00 0.00 174.62 174.74 1x5m s VAL 95 N -0.98 2.35 -0.05 3.82 0.11 -0.84 0.20 120.40 125.00 1x5m s VAL 95 Ca -0.10 -1.19 -0.21 0.00 -2.93 0.00 0.00 61.98 57.55 1x5m s VAL 95 Cb -0.02 -2.18 -0.05 0.00 -1.53 0.00 0.00 36.38 32.60 1x5m s VAL 95 CO 0.06 0.25 0.60 -0.22 -3.33 0.00 0.00 175.10 172.47 1x5m s LEU 96 N 1.24 4.35 -0.55 2.54 0.20 0.32 -3.07 118.68 123.71 1x5m s LEU 96 Ca -0.01 1.08 0.02 0.00 0.69 0.00 0.00 54.13 55.91 1x5m s LEU 96 Cb -0.16 -2.92 0.14 0.00 -0.43 0.00 0.00 46.19 42.82 1x5m s LEU 96 CO -0.08 0.01 0.31 -0.63 -0.29 0.00 0.00 176.35 175.68 1x5m s ILE 97 N 0.31 2.96 -0.12 6.68 -1.09 -0.76 0.87 121.20 130.05 1x5m s ILE 97 Ca 0.32 -3.16 -0.29 0.00 -2.23 0.00 0.00 60.65 55.29 1x5m s ILE 97 Cb -0.17 -3.01 -0.03 0.00 -1.58 0.00 0.00 42.46 37.67 1x5m s ILE 97 CO 0.16 -0.82 1.36 -0.76 -1.23 0.00 0.00 174.94 173.65 1x5m s LEU 98 N -0.16 4.23 -0.24 2.97 1.43 0.46 -2.41 118.68 124.95 1x5m s LEU 98 Ca 0.17 1.85 0.03 0.00 -1.03 0.00 0.00 54.13 55.15 1x5m s LEU 98 Cb -0.24 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.50 1x5m s LEU 98 CO -0.02 -0.79 -0.13 0.00 0.23 0.00 0.00 176.35 175.65 1x5m n ARG 100 N 4.47 1.27 -3.66 0.00 5.12 -1.26 -0.62 116.66 121.99 1x5m n ARG 100 Ca -0.15 0.48 -0.37 0.00 -1.93 0.00 0.00 57.85 55.88 1x5m n ARG 100 Cb 0.44 -2.44 -0.10 0.00 -1.16 0.00 0.00 32.46 29.20 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 -3.00 4.05 0.46 5.56 1.02 -1.26 -2.64 119.74 123.94 1x5m s LYS 101 Ca 0.76 -0.28 0.20 0.00 0.02 0.00 0.00 55.97 56.68 1x5m s LYS 101 Cb -0.41 -3.54 1.14 0.00 -0.52 0.00 0.00 37.83 34.49 1x5m s LYS 101 CO 0.46 0.04 1.98 -0.22 -0.92 0.00 0.00 175.35 176.69 1x5m h LYS 102 N 7.59 0.00 -2.43 1.68 3.64 -1.89 -3.41 116.57 121.75 1x5m h LYS 102 Ca -0.38 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.83 1x5m h LYS 102 Cb 1.17 0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 32.68 1x5m h LYS 102 CO 0.65 0.20 -0.48 0.54 -2.27 0.00 0.00 179.45 178.08 1x5m s VAL 103 N -4.30 -0.52 1.10 2.00 0.11 -1.26 -5.05 120.40 112.48 1x5m s VAL 103 Ca -0.03 0.09 -0.15 0.00 -2.93 0.00 0.00 61.98 58.97 1x5m s VAL 103 Cb 0.14 -0.65 0.24 0.00 -1.53 0.00 0.00 36.38 34.58 1x5m s VAL 103 CO 0.65 -0.01 1.08 -1.61 -3.33 0.00 0.00 175.10 171.88 1x5m s GLU 104 N 2.50 -0.41 -1.12 1.54 8.01 -1.26 -4.20 118.70 123.77 1x5m s GLU 104 Ca 0.05 0.39 -0.02 0.00 0.01 0.00 0.00 54.97 55.39 1x5m s GLU 104 Cb -0.14 -1.65 -0.02 0.00 -4.31 0.00 0.00 34.13 28.01 1x5m s GLU 104 CO -0.12 -3.27 0.95 0.09 0.01 0.00 0.00 175.26 172.92 1x5m n ASN 105 N -4.53 -3.65 -3.96 -0.19 3.02 -1.26 -4.93 115.26 99.76 1x5m n ASN 105 Ca 0.07 -0.64 -0.12 0.00 -0.03 0.00 0.00 54.58 53.86 1x5m n ASN 105 Cb 0.58 -5.04 -0.13 0.00 -0.61 0.00 0.00 39.78 34.58 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 -3.36 0.24 -0.01 3.41 2.01 -1.26 -5.06 115.64 111.61 1x5m s THR 106 Ca 0.16 -0.52 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 1x5m s THR 106 Cb -0.02 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.17 1x5m s THR 106 CO 0.71 -0.19 0.06 -0.60 -0.69 0.00 0.00 174.62 173.91 1x5m s ARG 107 N -0.75 2.99 -0.44 4.92 6.06 -1.26 -4.56 118.95 125.91 1x5m s ARG 107 Ca -0.06 -0.51 -0.03 0.00 -2.50 0.00 0.00 55.73 52.64 1x5m s ARG 107 Cb -0.05 -2.81 0.12 0.00 0.06 0.00 0.00 34.95 32.27 1x5m s ARG 107 CO -0.00 0.65 0.24 -1.58 -2.50 0.00 0.00 175.30 172.10 1x5m s TRP 108 N -1.14 3.56 0.08 5.12 0.52 -1.26 -4.91 118.94 120.91 1x5m s TRP 108 Ca 0.21 -2.49 0.32 0.00 0.02 0.00 0.00 56.10 54.17 1x5m s TRP 108 Cb -0.12 -3.21 1.56 0.00 -1.15 0.00 0.00 33.47 30.55 1x5m s TRP 108 CO 0.12 -0.95 1.97 -0.44 0.02 0.00 0.00 176.95 177.67 1x5m h ASP 109 N 7.87 0.00 -4.45 2.95 5.19 -1.98 -3.43 116.42 122.57 1x5m h ASP 109 Ca -0.11 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.28 1x5m h ASP 109 Cb 1.03 0.00 -0.21 0.00 0.18 0.00 0.00 39.33 40.33 1x5m h ASP 109 CO 0.70 0.00 0.27 -0.31 -3.12 0.00 0.00 179.24 176.78 1x5m s TYR 110 N -3.71 -0.61 0.21 4.55 2.02 -1.26 -4.94 117.35 113.60 1x5m s TYR 110 Ca -0.01 1.21 -0.09 0.00 -0.37 0.00 0.00 57.07 57.81 1x5m s TYR 110 Cb 0.10 0.38 0.27 0.00 -0.40 0.00 0.00 41.96 42.31 1x5m s TYR 110 CO 0.40 -0.47 1.77 1.25 -1.57 0.00 0.00 175.55 176.92 1x5m h LEU 111 N 3.46 0.36 -8.64 -1.29 6.46 -1.95 -3.37 115.31 110.33 1x5m h LEU 111 Ca -0.26 0.06 -0.38 0.00 -0.12 0.00 0.00 57.88 57.18 1x5m h LEU 111 Cb 1.15 0.00 -0.17 0.00 -0.73 0.00 0.00 40.66 40.92 1x5m h LEU 111 CO 0.28 0.22 -0.74 0.42 -0.62 0.00 0.00 178.44 178.00 1x5m s THR 112 N -6.09 1.30 0.29 1.05 -4.23 -1.26 -2.91 115.64 103.79 1x5m s THR 112 Ca -0.13 -1.88 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 1x5m s THR 112 Cb 0.17 -1.68 0.25 0.00 1.34 0.00 0.00 72.50 72.58 1x5m s THR 112 CO 0.75 -0.55 1.94 1.56 -0.54 0.00 0.00 174.62 177.78 1x5m h GLN 113 N 3.17 1.10 -0.65 3.99 4.20 -1.60 -2.98 115.11 122.34 1x5m h GLN 113 Ca -0.38 -0.09 0.06 0.00 0.06 0.00 0.00 58.65 58.30 1x5m h GLN 113 Cb 1.20 -0.24 -0.08 0.00 0.30 0.00 0.00 27.48 28.66 1x5m h GLN 113 CO 0.56 0.75 -0.38 1.55 -0.67 0.00 0.00 178.83 180.64 1x5m n VAL 114 N -4.39 -0.44 -0.14 -0.54 3.14 -1.26 0.18 118.33 114.88 1x5m n VAL 114 Ca 0.09 2.08 -0.05 0.00 -2.96 0.00 0.00 64.34 63.50 1x5m n VAL 114 Cb 0.05 -2.62 0.01 0.00 -1.06 0.00 0.00 33.84 30.22 1x5m n VAL 114 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1x5m h GLU 115 N 0.00 -0.15 -0.01 1.45 4.81 -1.91 -0.68 114.58 118.09 1x5m h GLU 115 Ca 0.10 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1x5m h GLU 115 Cb 0.27 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1x5m h GLU 115 CO -0.61 -0.10 -0.08 -0.22 -0.73 0.00 0.00 179.01 177.27 1x5m h LYS 116 N -0.16 -0.09 -0.42 1.92 3.64 -0.45 1.24 116.57 122.25 1x5m h LYS 116 Ca 0.21 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.63 1x5m h LYS 116 Cb 0.49 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.28 1x5m h LYS 116 CO -0.55 -0.06 -0.25 0.39 -2.27 0.00 0.00 179.45 176.71 1x5m n GLU 117 N -2.98 -0.19 0.02 1.90 -0.58 0.13 0.15 120.64 119.10 1x5m n GLU 117 Ca -0.01 1.13 -0.13 0.00 -0.42 0.00 0.00 57.16 57.74 1x5m n GLU 117 Cb 0.06 -1.68 -0.08 0.00 -0.57 0.00 0.00 31.44 29.17 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 -0.52 -0.05 -5.01 0.00 1.79 0.36 -3.02 116.57 110.12 1x5m h LYS 119 Ca 0.02 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.80 1x5m h LYS 119 Cb 0.57 0.01 -0.18 0.00 -1.58 0.00 0.00 32.23 31.06 1x5m h LYS 119 CO -0.32 -0.03 0.87 -1.21 -1.08 0.00 0.00 179.45 177.68 1x5m s GLU 120 N -4.58 3.63 0.50 3.15 0.41 0.40 -5.01 118.70 117.20 1x5m s GLU 120 Ca -0.08 -1.81 -0.19 0.00 -0.41 0.00 0.00 54.97 52.48 1x5m s GLU 120 Cb 0.07 -4.93 -0.08 0.00 -1.78 0.00 0.00 34.13 27.41 1x5m s GLU 120 CO 0.39 -1.77 1.02 0.15 -0.49 0.00 0.00 175.26 174.55 1x5m s LYS 121 N 2.62 3.83 0.15 1.61 1.02 -1.14 -4.59 119.74 123.23 1x5m s LYS 121 Ca 0.33 1.23 -0.09 0.00 0.02 0.00 0.00 55.97 57.46 1x5m s LYS 121 Cb -0.05 -2.11 -0.06 0.00 -0.52 0.00 0.00 37.83 35.09 1x5m s LYS 121 CO -0.09 -0.39 0.46 -1.12 -0.92 0.00 0.00 175.35 173.29 1x5m s SER 122 N -2.30 6.62 0.00 2.83 0.01 -1.26 -4.83 113.70 114.77 1x5m s SER 122 Ca 0.64 0.82 0.00 0.00 1.31 0.00 0.00 55.95 58.72 1x5m s SER 122 Cb -0.14 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1x5m s SER 122 CO 0.23 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.54 1x5m n GLY 123 N 0.36 0.67 2.95 3.44 0.00 -1.26 -4.94 105.19 106.40 1x5m n GLY 123 Ca -0.04 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 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 2.15 -3.63 1.61 -0.04 -1.26 -4.77 135.00 129.06 1x5m n PRO 124 Ca 0.00 -2.23 -0.12 0.00 -0.04 0.00 0.00 63.50 61.11 1x5m n PRO 124 Cb 0.00 -3.12 -0.07 0.00 -0.04 0.00 0.00 33.50 30.27 1x5m n PRO 124 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x5m s SER 125 N 4.20 -0.63 -0.26 3.54 1.04 -1.26 -5.14 113.70 115.18 1x5m s SER 125 Ca 0.53 1.22 -0.11 0.00 0.48 0.00 0.00 55.95 58.07 1x5m s SER 125 Cb 0.14 1.23 -0.05 0.00 0.10 0.00 0.00 66.02 67.44 1x5m s SER 125 CO 0.02 -0.21 0.18 -0.94 0.98 0.00 0.00 173.24 173.27 1x5m s SER 126 N 0.35 6.07 0.00 7.02 1.04 -1.26 -5.07 113.70 121.84 1x5m s SER 126 Ca 0.01 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1x5m s SER 126 Cb -0.05 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 63.96 1x5m s SER 126 CO -0.02 0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.81