#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h57 s VAL 18 N 0.00 1.63 -0.27 3.84 1.01 -0.92 -5.05 120.40 120.65 2h57 s VAL 18 Ca 0.00 -1.18 -0.18 0.00 0.00 0.00 0.00 61.98 60.62 2h57 s VAL 18 Cb 0.00 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2h57 s VAL 18 CO 0.00 0.00 0.50 -1.00 0.00 0.00 0.00 175.10 174.60 2h57 s HIS 19 N 1.37 3.26 -0.04 5.22 3.76 -1.26 -1.50 115.29 126.10 2h57 s HIS 19 Ca -0.05 0.59 0.07 0.00 -0.15 0.00 0.00 55.06 55.52 2h57 s HIS 19 Cb -0.18 -2.71 -0.02 0.00 1.11 0.00 0.00 32.58 30.78 2h57 s HIS 19 CO -0.07 -0.29 -0.24 0.08 -0.85 0.00 0.00 174.74 173.37 2h57 s VAL 20 N 2.29 2.19 -0.18 -0.90 1.01 -0.12 -0.00 120.40 124.67 2h57 s VAL 20 Ca 0.20 -1.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 2h57 s VAL 20 Cb -0.16 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2h57 s VAL 20 CO 0.09 0.58 0.08 -0.76 0.00 0.00 0.00 175.10 175.09 2h57 s LEU 21 N -0.45 3.94 -0.32 3.92 1.43 -0.40 -0.78 118.68 126.00 2h57 s LEU 21 Ca 0.05 0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 53.21 2h57 s LEU 21 Cb -0.11 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.13 2h57 s LEU 21 CO 0.01 0.19 0.11 0.00 0.23 0.00 0.00 176.35 176.89 2h57 s LEU 23 N 1.48 2.56 0.00 0.00 1.43 -0.17 -2.52 118.68 121.46 2h57 s LEU 23 Ca 0.01 -1.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 2h57 s LEU 23 Cb -0.18 -0.75 0.00 0.00 0.03 0.00 0.00 46.19 45.28 2h57 s LEU 23 CO 0.04 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.08 2h57 n GLY 24 N -0.44 3.89 3.71 -3.19 0.00 -1.26 -0.93 105.19 106.97 2h57 n GLY 24 Ca -0.07 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 2h57 n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h57 s LEU 25 N 0.00 2.51 0.58 0.99 1.43 -1.26 -3.94 118.68 119.00 2h57 s LEU 25 Ca 0.00 1.70 -0.20 0.00 -1.03 0.00 0.00 54.13 54.60 2h57 s LEU 25 Cb 0.00 -4.17 -0.04 0.00 0.03 0.00 0.00 46.19 42.01 2h57 s LEU 25 CO 0.00 -2.60 1.33 -0.90 0.23 0.00 0.00 176.35 174.40 2h57 n ASP 26 N -3.88 2.42 -0.32 2.29 5.75 -1.06 -2.55 116.55 119.20 2h57 n ASP 26 Ca 0.08 0.92 -0.04 0.00 -0.01 0.00 0.00 54.79 55.74 2h57 n ASP 26 Cb 0.54 -1.57 -0.02 0.00 -1.03 0.00 0.00 41.12 39.05 2h57 n ASP 26 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2h57 n ASN 27 N -1.32 -4.61 0.06 -1.12 5.15 -1.26 -4.90 115.26 107.27 2h57 n ASN 27 Ca 0.12 0.10 -0.05 0.00 -0.60 0.00 0.00 54.58 54.15 2h57 n ASN 27 Cb 0.46 -2.48 -0.10 0.00 -0.53 0.00 0.00 39.78 37.13 2h57 n ASN 27 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 2h57 h SER 28 N 0.00 0.00 0.00 1.20 4.64 -1.84 -3.45 113.55 114.10 2h57 h SER 28 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2h57 h SER 28 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2h57 h SER 28 CO 0.13 0.91 0.00 0.61 -0.87 0.00 0.00 176.83 177.61 2h57 n GLY 29 N 1.35 1.50 0.34 -0.77 0.00 -1.26 -4.30 105.19 102.05 2h57 n GLY 29 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2h57 n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h57 h LYS 30 N 0.69 -0.45 -0.34 1.61 1.57 -1.93 0.12 116.57 117.85 2h57 h LYS 30 Ca 0.00 0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 2h57 h LYS 30 Cb 0.00 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2h57 h LYS 30 CO 0.00 -0.30 -0.33 1.15 -0.57 0.00 0.00 179.45 179.40 2h57 h THR 31 N -0.47 1.28 -0.52 -0.16 2.02 -1.97 -1.70 112.91 111.39 2h57 h THR 31 Ca 0.07 -1.48 0.05 0.00 0.77 0.00 0.00 66.41 65.81 2h57 h THR 31 Cb 0.56 1.38 -0.05 0.00 -1.74 0.00 0.00 68.15 68.30 2h57 h THR 31 CO -0.28 0.49 0.25 0.74 0.37 0.00 0.00 175.52 177.08 2h57 h THR 32 N 0.63 0.93 -0.30 3.16 2.02 -1.88 -0.62 112.91 116.85 2h57 h THR 32 Ca 0.07 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 2h57 h THR 32 Cb 0.87 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2h57 h THR 32 CO 0.08 0.09 0.11 0.40 0.37 0.00 0.00 175.52 176.57 2h57 h ILE 33 N 0.48 1.18 -0.46 3.11 2.04 -0.71 -2.24 117.51 120.91 2h57 h ILE 33 Ca 0.24 -0.57 -0.12 0.00 1.00 0.00 0.00 64.86 65.40 2h57 h ILE 33 Cb 0.17 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2h57 h ILE 33 CO -0.18 0.20 -0.20 0.40 0.00 0.00 0.00 178.15 178.36 2h57 h ILE 34 N 0.33 1.27 -0.84 -0.67 1.08 -1.20 -2.56 117.51 114.92 2h57 h ILE 34 Ca 0.10 -1.35 0.09 0.00 -0.39 0.00 0.00 64.86 63.31 2h57 h ILE 34 Cb 0.20 1.12 -0.07 0.00 -3.07 0.00 0.00 36.82 35.00 2h57 h ILE 34 CO -0.01 0.46 0.49 -1.13 -0.69 0.00 0.00 178.15 177.27 2h57 h ASN 35 N 0.81 0.71 0.67 1.72 -1.24 -1.04 -2.46 115.58 114.75 2h57 h ASN 35 Ca 0.11 0.04 -0.06 0.00 0.71 0.00 0.00 56.30 57.11 2h57 h ASN 35 Cb 0.76 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.71 2h57 h ASN 35 CO 0.06 0.41 -0.27 0.50 -1.29 0.00 0.00 177.43 176.85 2h57 h LYS 36 N 0.82 0.00 0.00 6.67 1.63 -1.05 -1.98 116.57 122.67 2h57 h LYS 36 Ca 0.40 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.20 2h57 h LYS 36 Cb 0.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2h57 h LYS 36 CO -0.24 0.27 0.00 1.28 -3.45 0.00 0.00 179.45 177.31 2h57 n LEU 37 N -3.60 0.72 -4.85 5.20 4.77 -0.93 -4.84 117.00 113.47 2h57 n LEU 37 Ca -0.01 0.62 -0.32 0.00 -0.03 0.00 0.00 56.01 56.27 2h57 n LEU 37 Cb 0.40 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 2h57 n LEU 37 CO 0.34 -0.36 0.70 -0.54 -1.33 0.00 0.00 177.39 176.20 2h57 s LYS 38 N -3.20 3.78 0.54 3.23 1.02 -0.74 -4.24 119.74 120.13 2h57 s LYS 38 Ca 0.08 0.92 -0.21 0.00 0.02 0.00 0.00 55.97 56.78 2h57 s LYS 38 Cb 0.11 -2.11 -0.06 0.00 -0.52 0.00 0.00 37.83 35.25 2h57 s LYS 38 CO 0.49 -0.42 1.07 -2.30 -0.92 0.00 0.00 175.35 173.28 2h57 n PRO 39 N -1.98 1.22 -0.25 -1.68 -0.02 -1.26 -4.82 135.00 126.21 2h57 n PRO 39 Ca 0.07 0.45 0.05 0.00 -2.02 0.00 0.00 63.50 62.05 2h57 n PRO 39 Cb 0.54 -2.24 0.17 0.00 -0.02 0.00 0.00 33.50 31.95 2h57 n PRO 39 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2h57 h SER 40 N 1.00 -0.12 -0.17 2.55 4.64 -1.94 -0.14 113.55 119.37 2h57 h SER 40 Ca -0.48 0.16 0.05 0.00 -0.47 0.00 0.00 61.79 61.05 2h57 h SER 40 Cb 1.34 0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.67 2h57 h SER 40 CO 0.54 -0.09 0.12 0.78 -0.87 0.00 0.00 176.83 177.31 2h57 h ASN 41 N 0.20 0.00 0.25 4.97 4.21 -2.01 -2.82 115.58 120.37 2h57 h ASN 41 Ca 0.41 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.92 2h57 h ASN 41 Cb 0.72 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.92 2h57 h ASN 41 CO -0.56 0.00 -0.29 0.00 -1.29 0.00 0.00 177.43 175.29 2h57 n ALA 42 N -2.57 3.15 -2.04 -0.83 0.00 -0.08 -4.97 120.51 113.17 2h57 n ALA 42 Ca 0.01 -0.41 -0.40 0.00 0.00 0.00 0.00 53.44 52.64 2h57 n ALA 42 Cb 0.26 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.53 2h57 n ALA 42 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2h57 s GLN 43 N -2.55 4.72 0.31 0.00 -0.21 -1.07 -4.95 119.66 115.91 2h57 s GLN 43 Ca 0.23 1.38 -0.25 0.00 0.02 0.00 0.00 55.36 56.74 2h57 s GLN 43 Cb 0.19 -3.32 -0.10 0.00 1.00 0.00 0.00 33.01 30.78 2h57 s GLN 43 CO 0.54 0.40 0.90 0.45 -2.12 0.00 0.00 175.29 175.46 2h57 s SER 44 N -0.65 7.28 -0.09 5.90 0.15 -1.26 -4.99 113.70 120.04 2h57 s SER 44 Ca 0.42 1.75 0.19 0.00 0.70 0.00 0.00 55.95 59.01 2h57 s SER 44 Cb -0.24 -2.55 -0.28 0.00 -1.71 0.00 0.00 66.02 61.24 2h57 s SER 44 CO 0.29 -0.05 0.30 0.00 1.20 0.00 0.00 173.24 174.98 2h57 n GLN 45 N 0.57 0.74 -3.97 5.44 1.13 -1.26 -4.78 117.38 115.25 2h57 n GLN 45 Ca 0.01 -0.12 -0.31 0.00 -1.94 0.00 0.00 57.00 54.65 2h57 n GLN 45 Cb 0.50 -1.48 -0.15 0.00 0.11 0.00 0.00 30.24 29.22 2h57 n GLN 45 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2h57 s ASN 46 N -4.73 4.59 -0.27 1.08 0.01 -1.26 -5.09 114.94 109.27 2h57 s ASN 46 Ca -0.08 -2.26 -0.17 0.00 -0.71 0.00 0.00 52.86 49.64 2h57 s ASN 46 Cb 0.10 -1.54 -0.03 0.00 0.41 0.00 0.00 41.25 40.19 2h57 s ASN 46 CO 0.82 -0.36 0.46 -0.63 -1.51 0.00 0.00 177.10 175.88 2h57 s ILE 47 N 0.76 5.11 0.26 0.60 1.01 -1.26 -5.06 121.20 122.62 2h57 s ILE 47 Ca 0.12 0.73 0.08 0.00 0.00 0.00 0.00 60.65 61.58 2h57 s ILE 47 Cb -0.20 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 2h57 s ILE 47 CO -0.08 0.10 0.09 -0.76 0.00 0.00 0.00 174.94 174.29 2h57 s LEU 48 N 2.21 3.46 0.20 2.97 1.43 -1.26 -5.08 118.68 122.62 2h57 s LEU 48 Ca 0.18 -0.48 -0.31 0.00 -1.03 0.00 0.00 54.13 52.49 2h57 s LEU 48 Cb -0.16 -1.99 -0.16 0.00 0.03 0.00 0.00 46.19 43.92 2h57 s LEU 48 CO 0.10 -0.03 1.05 -2.65 0.23 0.00 0.00 176.35 175.04 2h57 n PRO 49 N -1.03 1.04 -2.20 1.29 -0.02 -1.26 -4.87 135.00 127.96 2h57 n PRO 49 Ca -0.07 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.36 2h57 n PRO 49 Cb 0.59 -1.78 -0.03 0.00 -0.02 0.00 0.00 33.50 32.26 2h57 n PRO 49 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2h57 s THR 50 N -0.50 3.23 -0.59 3.45 2.01 -1.26 -4.97 115.64 117.01 2h57 s THR 50 Ca 0.69 0.96 -0.19 0.00 0.31 0.00 0.00 61.69 63.46 2h57 s THR 50 Cb -0.84 -3.62 0.10 0.00 0.01 0.00 0.00 72.50 68.16 2h57 s THR 50 CO 0.55 0.12 0.70 -0.63 -0.69 0.00 0.00 174.62 174.67 2h57 s ILE 51 N 0.46 4.81 0.00 1.82 1.01 -1.26 -4.61 121.20 123.43 2h57 s ILE 51 Ca 0.59 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 60.30 2h57 s ILE 51 Cb -0.37 -4.48 0.00 0.00 0.01 0.00 0.00 42.46 37.62 2h57 s ILE 51 CO 0.36 -1.11 0.00 0.61 0.00 0.00 0.00 174.94 174.79 2h57 n GLY 52 N 5.28 1.82 3.82 6.18 0.00 -1.26 -4.74 105.19 116.29 2h57 n GLY 52 Ca -0.09 0.20 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 2h57 n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2h57 s PHE 53 N 0.00 -0.09 0.14 1.61 -0.71 -1.26 -1.28 117.98 116.38 2h57 s PHE 53 Ca 0.00 -0.35 0.03 0.00 -1.04 0.00 0.00 56.93 55.57 2h57 s PHE 53 Cb 0.00 0.71 -0.04 0.00 -1.21 0.00 0.00 43.02 42.48 2h57 s PHE 53 CO 0.00 -1.15 -0.07 -1.12 -1.34 0.00 0.00 175.22 171.54 2h57 s SER 54 N -3.00 1.51 -0.17 1.98 0.01 -0.20 -4.96 113.70 108.87 2h57 s SER 54 Ca 0.13 -1.05 -0.01 0.00 1.31 0.00 0.00 55.95 56.33 2h57 s SER 54 Cb -0.04 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.23 2h57 s SER 54 CO 0.06 -0.42 -0.14 -0.63 0.41 0.00 0.00 173.24 172.52 2h57 s ILE 55 N -3.48 2.71 0.24 1.44 1.01 -1.26 -0.96 121.20 120.90 2h57 s ILE 55 Ca 0.17 -0.74 0.11 0.00 0.00 0.00 0.00 60.65 60.19 2h57 s ILE 55 Cb 0.04 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.30 2h57 s ILE 55 CO 0.00 0.50 -0.20 -1.61 0.00 0.00 0.00 174.94 173.63 2h57 s GLU 56 N 1.04 1.55 0.00 2.79 0.41 -0.32 -4.94 118.70 119.23 2h57 s GLU 56 Ca -0.01 -1.64 0.07 0.00 -0.41 0.00 0.00 54.97 52.97 2h57 s GLU 56 Cb -0.15 -1.68 -0.03 0.00 -1.78 0.00 0.00 34.13 30.50 2h57 s GLU 56 CO -0.03 0.33 -0.21 0.15 -0.49 0.00 0.00 175.26 175.01 2h57 s LYS 57 N -3.21 2.15 0.32 1.61 1.02 -1.26 -0.26 119.74 120.12 2h57 s LYS 57 Ca 0.25 -0.91 0.05 0.00 0.02 0.00 0.00 55.97 55.37 2h57 s LYS 57 Cb -0.05 -2.16 -0.03 0.00 -0.52 0.00 0.00 37.83 35.06 2h57 s LYS 57 CO 0.12 0.56 0.20 -0.59 -0.92 0.00 0.00 175.35 174.72 2h57 s PHE 58 N -0.76 1.65 -0.03 3.18 -0.71 -1.17 -4.83 117.98 115.31 2h57 s PHE 58 Ca 0.12 -1.48 -0.03 0.00 -1.04 0.00 0.00 56.93 54.50 2h57 s PHE 58 Cb -0.10 -0.82 0.01 0.00 -1.21 0.00 0.00 43.02 40.89 2h57 s PHE 58 CO 0.02 -0.64 0.08 0.15 -1.34 0.00 0.00 175.22 173.49 2h57 s LYS 59 N -3.68 0.09 0.00 1.99 1.02 -1.26 -1.40 119.74 116.50 2h57 s LYS 59 Ca 0.36 0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.48 2h57 s LYS 59 Cb 0.04 0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.37 2h57 s LYS 59 CO 0.21 -0.03 0.00 0.45 -0.92 0.00 0.00 175.35 175.06 2h57 n SER 60 N 3.15 0.09 0.01 2.83 2.88 0.06 -4.94 113.62 117.71 2h57 n SER 60 Ca -0.14 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.30 2h57 n SER 60 Cb 0.59 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.99 2h57 n SER 60 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2h57 h SER 61 N 0.00 -0.05 0.00 -3.46 0.87 -2.02 -3.38 113.55 105.52 2h57 h SER 61 Ca 0.00 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.44 2h57 h SER 61 Cb 0.00 0.04 -0.25 0.00 -0.44 0.00 0.00 62.40 61.75 2h57 h SER 61 CO 0.00 -0.01 -0.69 -1.54 -0.53 0.00 0.00 176.83 174.05 2h57 n SER 62 N -5.12 0.23 -4.05 6.23 3.41 -1.26 -5.10 113.62 107.96 2h57 n SER 62 Ca -0.05 -1.94 -0.22 0.00 -0.26 0.00 0.00 58.87 56.39 2h57 n SER 62 Cb 0.06 -0.09 -0.16 0.00 -0.26 0.00 0.00 64.21 63.76 2h57 n SER 62 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2h57 s LEU 63 N 0.00 1.84 -0.19 1.04 1.02 -1.26 -5.12 118.68 116.00 2h57 s LEU 63 Ca 0.18 -0.25 -0.06 0.00 0.02 0.00 0.00 54.13 54.02 2h57 s LEU 63 Cb 0.21 -0.71 -0.03 0.00 0.02 0.00 0.00 46.19 45.68 2h57 s LEU 63 CO -0.09 0.10 0.03 -0.55 0.02 0.00 0.00 176.35 175.86 2h57 s SER 64 N 0.11 5.18 -0.07 2.29 0.15 -1.26 -0.76 113.70 119.35 2h57 s SER 64 Ca -0.03 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.54 2h57 s SER 64 Cb -0.09 -1.89 -0.03 0.00 -1.71 0.00 0.00 66.02 62.30 2h57 s SER 64 CO 0.01 0.11 -0.06 -0.36 1.20 0.00 0.00 173.24 174.14 2h57 s PHE 65 N 0.76 2.97 -0.20 3.44 0.08 -0.49 -2.15 117.98 122.39 2h57 s PHE 65 Ca 0.02 0.05 -0.02 0.00 0.12 0.00 0.00 56.93 57.10 2h57 s PHE 65 Cb -0.14 -1.72 0.00 0.00 -0.57 0.00 0.00 43.02 40.59 2h57 s PHE 65 CO 0.02 0.36 -0.10 0.99 -0.10 0.00 0.00 175.22 176.39 2h57 s THR 66 N -0.83 2.92 -0.18 0.64 2.01 -0.56 -3.05 115.64 116.60 2h57 s THR 66 Ca 0.13 -0.65 -0.00 0.00 0.31 0.00 0.00 61.69 61.47 2h57 s THR 66 Cb -0.11 -2.30 0.00 0.00 0.01 0.00 0.00 72.50 70.10 2h57 s THR 66 CO 0.02 0.47 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.58 2h57 s VAL 67 N 1.36 2.67 -0.78 3.82 1.01 0.64 -0.95 120.40 128.18 2h57 s VAL 67 Ca 0.05 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 61.03 2h57 s VAL 67 Cb -0.14 -2.15 0.05 0.00 0.00 0.00 0.00 36.38 34.14 2h57 s VAL 67 CO -0.06 0.50 1.23 -0.36 0.00 0.00 0.00 175.10 176.41 2h57 s PHE 68 N 1.08 2.45 -0.62 5.22 0.40 0.04 -1.18 117.98 125.36 2h57 s PHE 68 Ca -0.00 -0.35 -0.21 0.00 -0.60 0.00 0.00 56.93 55.77 2h57 s PHE 68 Cb -0.14 -4.55 0.09 0.00 0.51 0.00 0.00 43.02 38.92 2h57 s PHE 68 CO -0.04 -1.94 0.82 0.34 0.70 0.00 0.00 175.22 175.10 2h57 s ASP 69 N 3.92 6.18 0.29 1.36 2.15 -0.13 -1.21 116.67 129.22 2h57 s ASP 69 Ca 0.34 -1.23 -0.13 0.00 0.43 0.00 0.00 52.55 51.96 2h57 s ASP 69 Cb -0.09 -2.35 -0.08 0.00 -0.30 0.00 0.00 42.92 40.10 2h57 s ASP 69 CO 0.09 -1.26 0.67 -0.04 -0.17 0.00 0.00 175.17 174.45 2h57 s MET 70 N 3.31 3.92 0.32 4.34 -1.94 -1.05 -1.03 119.30 127.17 2h57 s MET 70 Ca 0.16 0.52 -0.29 0.00 -1.71 0.00 0.00 55.69 54.37 2h57 s MET 70 Cb -0.21 -2.51 -0.10 0.00 2.01 0.00 0.00 34.83 34.02 2h57 s MET 70 CO 0.08 0.21 1.25 0.45 -0.01 0.00 0.00 175.02 177.00 2h57 s SER 71 N -2.34 6.90 0.00 3.03 0.15 -0.41 -4.87 113.70 116.16 2h57 s SER 71 Ca 0.52 2.58 0.21 0.00 0.70 0.00 0.00 55.95 59.96 2h57 s SER 71 Cb -0.11 -2.64 0.48 0.00 -1.71 0.00 0.00 66.02 62.04 2h57 s SER 71 CO 0.19 -0.43 1.41 0.61 1.20 0.00 0.00 173.24 176.22 2h57 n GLY 72 N 0.91 2.04 3.76 9.45 0.00 -1.25 -4.52 105.19 115.58 2h57 n GLY 72 Ca -0.00 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.94 2h57 n GLY 72 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2h57 s GLN 73 N -1.23 3.40 0.32 1.61 -0.21 -1.26 -2.58 119.66 119.71 2h57 s GLN 73 Ca 0.40 2.04 0.09 0.00 0.02 0.00 0.00 55.36 57.91 2h57 s GLN 73 Cb 0.22 -2.32 0.89 0.00 1.00 0.00 0.00 33.01 32.80 2h57 s GLN 73 CO 0.30 -0.92 1.72 0.78 -2.12 0.00 0.00 175.29 175.05 2h57 h GLY 74 N 1.71 1.89 0.68 3.09 0.00 -2.00 -0.89 103.07 107.55 2h57 h GLY 74 Ca -0.50 -0.29 0.14 0.00 0.00 0.00 0.00 47.33 46.67 2h57 h GLY 74 CO 0.58 -0.27 0.52 -0.09 0.00 0.00 0.00 176.54 177.29 2h57 h ARG 75 N 0.54 0.52 -0.01 4.80 2.43 -1.99 -3.21 114.38 117.46 2h57 h ARG 75 Ca 0.65 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.78 2h57 h ARG 75 Cb 1.25 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2h57 h ARG 75 CO -0.49 0.35 -0.09 0.66 -1.51 0.00 0.00 179.97 178.88 2h57 n TYR 76 N -4.51 0.00 0.29 2.20 0.53 -0.43 -4.62 117.16 110.62 2h57 n TYR 76 Ca 0.15 0.00 0.16 0.00 -1.02 0.00 0.00 57.90 57.19 2h57 n TYR 76 Cb 0.48 0.00 0.87 0.00 -1.03 0.00 0.00 39.34 39.66 2h57 n TYR 76 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2h57 h ARG 77 N 1.40 0.00 -0.24 -0.72 3.08 -1.32 -1.43 114.38 115.14 2h57 h ARG 77 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 2h57 h ARG 77 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2h57 h ARG 77 CO 0.00 0.05 0.29 -2.95 -1.07 0.00 0.00 179.97 176.30 2h57 h ASN 78 N 0.00 0.00 1.12 7.04 -1.07 -1.82 -2.53 115.58 118.33 2h57 h ASN 78 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 56.27 2h57 h ASN 78 Cb 0.20 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.44 2h57 h ASN 78 CO 0.01 0.00 -0.47 -0.07 0.07 0.00 0.00 177.43 176.97 2h57 h LEU 79 N 0.00 0.00 -0.54 6.14 3.38 -1.61 -3.36 115.31 119.31 2h57 h LEU 79 Ca 0.11 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.19 2h57 h LEU 79 Cb 0.70 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.35 2h57 h LEU 79 CO -0.00 0.47 -0.10 -0.50 0.09 0.00 0.00 178.44 178.40 2h57 h TRP 80 N 0.00 -0.22 0.00 1.13 4.06 -1.61 -1.15 115.95 118.16 2h57 h TRP 80 Ca -0.00 0.05 -0.00 0.00 2.06 0.00 0.00 58.89 60.99 2h57 h TRP 80 Cb 1.16 0.18 -0.00 0.00 -1.00 0.00 0.00 29.16 29.50 2h57 h TRP 80 CO 0.00 -0.21 -0.02 1.05 -3.56 0.00 0.00 178.44 175.70 2h57 h GLU 81 N 0.03 0.00 0.00 0.49 4.11 -1.79 -1.48 114.58 115.93 2h57 h GLU 81 Ca 0.27 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.69 2h57 h GLU 81 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2h57 h GLU 81 CO -0.53 0.02 -0.04 0.45 0.07 0.00 0.00 179.01 178.98 2h57 h HIS 82 N 0.00 0.00 -0.16 2.06 3.86 -1.44 -3.03 115.15 116.44 2h57 h HIS 82 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2h57 h HIS 82 Cb 0.39 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.86 2h57 h HIS 82 CO 0.00 0.04 0.00 0.66 0.86 0.00 0.00 177.93 179.49 2h57 n TYR 83 N -3.38 0.20 -0.21 2.45 4.02 -0.56 -4.68 117.16 115.00 2h57 n TYR 83 Ca -0.02 -0.27 -0.07 0.00 -0.01 0.00 0.00 57.90 57.52 2h57 n TYR 83 Cb 0.16 -0.02 0.07 0.00 -0.02 0.00 0.00 39.34 39.53 2h57 n TYR 83 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 2h57 h TYR 84 N 1.68 1.11 0.00 -0.72 0.05 -1.57 -2.06 116.97 115.46 2h57 h TYR 84 Ca 0.00 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.62 2h57 h TYR 84 Cb 0.54 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.98 2h57 h TYR 84 CO 0.10 0.95 0.00 1.63 -1.05 0.00 0.00 178.16 179.79 2h57 n LYS 85 N -4.21 0.11 -0.69 4.88 5.02 -1.26 -1.56 118.16 120.44 2h57 n LYS 85 Ca 0.04 0.56 0.04 0.00 -2.02 0.00 0.00 58.31 56.92 2h57 n LYS 85 Cb 0.30 -1.82 0.20 0.00 -0.02 0.00 0.00 35.03 33.69 2h57 n LYS 85 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2h57 n GLU 86 N -2.04 1.72 -3.04 1.97 0.28 -0.78 -4.89 120.64 113.86 2h57 n GLU 86 Ca -0.00 -3.35 -0.43 0.00 -0.16 0.00 0.00 57.16 53.22 2h57 n GLU 86 Cb 0.06 -1.67 -0.06 0.00 1.43 0.00 0.00 31.44 31.20 2h57 n GLU 86 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2h57 s GLY 87 N -3.20 1.64 0.39 -1.84 0.00 -0.60 -4.40 107.32 99.31 2h57 s GLY 87 Ca 0.39 -1.48 0.23 0.00 0.00 0.00 0.00 44.72 43.86 2h57 s GLY 87 CO -0.06 1.68 1.51 1.46 0.00 0.00 0.00 173.10 177.68 2h57 h GLN 88 N 9.08 0.00 -3.20 2.90 4.20 -0.74 -3.47 115.11 123.88 2h57 h GLN 88 Ca -0.27 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.34 2h57 h GLN 88 Cb 1.09 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.68 2h57 h GLN 88 CO 0.99 0.01 -0.27 0.00 -0.67 0.00 0.00 178.83 178.89 2h57 s ALA 89 N -3.23 -0.70 -0.04 3.87 0.00 -1.05 -4.26 121.76 116.35 2h57 s ALA 89 Ca 0.06 0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.21 2h57 s ALA 89 Cb 0.06 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.37 2h57 s ALA 89 CO 0.69 -0.34 -0.25 0.42 0.00 0.00 0.00 175.76 176.28 2h57 s ILE 90 N -2.00 2.06 -0.30 0.00 1.01 -0.36 -1.28 121.20 120.34 2h57 s ILE 90 Ca -0.09 -1.08 -0.06 0.00 0.00 0.00 0.00 60.65 59.43 2h57 s ILE 90 Cb -0.03 -1.73 0.02 0.00 0.01 0.00 0.00 42.46 40.74 2h57 s ILE 90 CO 0.00 0.57 0.06 -0.63 0.00 0.00 0.00 174.94 174.94 2h57 s ILE 91 N -0.32 3.68 -0.20 2.92 1.01 0.04 -0.46 121.20 127.87 2h57 s ILE 91 Ca 0.01 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.71 2h57 s ILE 91 Cb -0.12 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 2h57 s ILE 91 CO 0.02 0.01 -0.03 0.12 0.00 0.00 0.00 174.94 175.06 2h57 s PHE 92 N 1.43 2.99 -0.11 3.97 2.19 0.24 -1.00 117.98 127.68 2h57 s PHE 92 Ca 0.00 -0.62 0.00 0.00 0.33 0.00 0.00 56.93 56.65 2h57 s PHE 92 Cb -0.18 -2.05 -0.02 0.00 -1.31 0.00 0.00 43.02 39.45 2h57 s PHE 92 CO 0.01 -0.32 -0.10 0.08 1.83 0.00 0.00 175.22 176.72 2h57 s VAL 93 N 1.03 3.35 -0.08 3.12 1.01 -0.11 -1.34 120.40 127.39 2h57 s VAL 93 Ca 0.01 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.46 2h57 s VAL 93 Cb -0.15 -2.40 -0.00 0.00 0.00 0.00 0.00 36.38 33.84 2h57 s VAL 93 CO 0.01 0.55 -0.24 -0.63 0.00 0.00 0.00 175.10 174.78 2h57 s ILE 94 N -0.11 2.04 -0.61 2.22 -1.09 -0.24 -4.15 121.20 119.26 2h57 s ILE 94 Ca -0.00 -1.03 -0.27 0.00 -2.23 0.00 0.00 60.65 57.12 2h57 s ILE 94 Cb -0.13 -1.74 0.01 0.00 -1.58 0.00 0.00 42.46 39.01 2h57 s ILE 94 CO 0.03 0.56 1.53 -0.62 -1.23 0.00 0.00 174.94 175.21 2h57 s ASP 95 N 0.14 5.87 0.61 3.58 -1.08 -1.26 -0.54 116.67 123.99 2h57 s ASP 95 Ca -0.13 0.15 0.32 0.00 -0.52 0.00 0.00 52.55 52.37 2h57 s ASP 95 Cb -0.16 -2.54 1.89 0.00 -1.46 0.00 0.00 42.92 40.64 2h57 s ASP 95 CO 0.07 -1.94 2.22 0.28 0.52 0.00 0.00 175.17 176.31 2h57 h SER 96 N 12.03 0.00 -0.02 -0.34 0.02 -1.17 -2.52 113.55 121.55 2h57 h SER 96 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2h57 h SER 96 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2h57 h SER 96 CO 1.21 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 175.36 2h57 n SER 97 N -3.65 1.41 -3.82 3.07 3.41 -1.26 -1.09 113.62 111.70 2h57 n SER 97 Ca -0.02 -1.48 -0.29 0.00 -0.26 0.00 0.00 58.87 56.83 2h57 n SER 97 Cb 0.16 -0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.98 2h57 n SER 97 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2h57 s ASP 98 N -1.98 4.06 0.24 4.04 -1.08 -0.95 -4.72 116.67 116.28 2h57 s ASP 98 Ca 0.38 -3.27 0.01 0.00 -0.52 0.00 0.00 52.55 49.15 2h57 s ASP 98 Cb 0.21 -1.37 0.26 0.00 -1.46 0.00 0.00 42.92 40.56 2h57 s ASP 98 CO 0.33 -0.17 1.60 0.03 0.52 0.00 0.00 175.17 177.48 2h57 h ARG 99 N 6.02 0.45 0.05 4.34 3.08 -1.84 -1.99 114.38 124.49 2h57 h ARG 99 Ca 0.06 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 2h57 h ARG 99 Cb 0.85 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2h57 h ARG 99 CO 0.62 0.81 -0.02 1.25 -1.07 0.00 0.00 179.97 181.55 2h57 h LEU 100 N 0.36 -0.06 -1.11 3.04 5.85 -1.97 -2.30 115.31 119.12 2h57 h LEU 100 Ca 0.03 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2h57 h LEU 100 Cb 0.93 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.97 2h57 h LEU 100 CO 0.08 0.22 0.00 0.03 -0.34 0.00 0.00 178.44 178.43 2h57 h ARG 101 N -0.33 0.00 0.00 1.25 3.08 -1.96 -2.49 114.38 113.92 2h57 h ARG 101 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2h57 h ARG 101 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 2h57 h ARG 101 CO 0.01 0.00 -0.07 1.98 -1.07 0.00 0.00 179.97 180.82 2h57 h MET 102 N 0.00 0.00 -0.63 0.04 4.05 -0.75 -0.92 114.93 116.72 2h57 h MET 102 Ca 0.00 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 2h57 h MET 102 Cb 0.38 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.16 2h57 h MET 102 CO 0.00 0.07 0.16 0.28 0.23 0.00 0.00 176.91 177.65 2h57 h VAL 103 N 0.00 1.24 -0.28 -5.77 2.07 -1.45 -1.61 116.25 110.45 2h57 h VAL 103 Ca -0.00 -0.89 -0.10 0.00 0.82 0.00 0.00 66.70 66.53 2h57 h VAL 103 Cb 0.31 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2h57 h VAL 103 CO 0.01 0.34 -0.21 0.58 0.02 0.00 0.00 177.57 178.31 2h57 h VAL 104 N 0.93 1.30 -0.80 2.57 2.07 -1.37 -2.56 116.25 118.40 2h57 h VAL 104 Ca 0.20 -1.35 0.11 0.00 0.82 0.00 0.00 66.70 66.48 2h57 h VAL 104 Cb 0.32 1.56 -0.08 0.00 -1.52 0.00 0.00 31.29 31.57 2h57 h VAL 104 CO -0.00 0.43 0.43 0.00 0.02 0.00 0.00 177.57 178.45 2h57 h ALA 105 N 0.72 1.14 -0.44 1.67 0.00 -1.28 -1.73 119.26 119.34 2h57 h ALA 105 Ca 0.05 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2h57 h ALA 105 Cb 0.75 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2h57 h ALA 105 CO 0.06 0.02 -0.06 -0.22 0.00 0.00 0.00 179.25 179.04 2h57 h LYS 106 N 0.70 0.81 -0.75 0.00 3.64 -1.20 -0.08 116.57 119.69 2h57 h LYS 106 Ca 0.40 -0.29 0.10 0.00 -1.27 0.00 0.00 60.65 59.58 2h57 h LYS 106 Cb 0.43 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.12 2h57 h LYS 106 CO -0.28 0.91 0.39 0.93 -2.27 0.00 0.00 179.45 179.13 2h57 h GLU 107 N 0.65 0.64 -0.18 1.90 5.08 -1.01 -0.09 114.58 121.57 2h57 h GLU 107 Ca 0.12 -0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 58.22 2h57 h GLU 107 Cb 0.57 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.69 2h57 h GLU 107 CO 0.03 0.42 -0.73 0.93 -1.00 0.00 0.00 179.01 178.66 2h57 h GLU 108 N 0.66 0.80 -0.46 2.33 4.39 -1.05 -1.80 114.58 119.46 2h57 h GLU 108 Ca 0.37 -0.62 0.05 0.00 0.34 0.00 0.00 59.36 59.49 2h57 h GLU 108 Cb 0.38 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.10 2h57 h GLU 108 CO -0.26 1.24 0.20 1.25 -1.16 0.00 0.00 179.01 180.27 2h57 h LEU 109 N 0.56 0.25 -0.78 1.33 5.85 -0.69 -0.20 115.31 121.63 2h57 h LEU 109 Ca -0.04 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2h57 h LEU 109 Cb 1.36 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 2h57 h LEU 109 CO 0.15 0.18 0.31 0.44 -0.34 0.00 0.00 178.44 179.18 2h57 h ASP 110 N 0.39 1.07 -0.15 1.25 3.32 -0.88 0.63 116.42 122.04 2h57 h ASP 110 Ca 0.21 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2h57 h ASP 110 Cb 0.16 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2h57 h ASP 110 CO -0.18 0.95 0.05 0.74 -1.72 0.00 0.00 179.24 179.07 2h57 h THR 111 N 1.12 1.18 -0.34 0.35 2.02 -1.23 -2.12 112.91 113.90 2h57 h THR 111 Ca 0.26 -0.56 0.07 0.00 0.77 0.00 0.00 66.41 66.95 2h57 h THR 111 Cb 0.21 1.28 -0.08 0.00 -1.74 0.00 0.00 68.15 67.82 2h57 h THR 111 CO -0.02 0.17 -0.18 0.25 0.37 0.00 0.00 175.52 176.11 2h57 h LEU 112 N 0.06 -0.60 -1.49 2.58 5.85 -0.79 -1.54 115.31 119.38 2h57 h LEU 112 Ca 0.05 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 2h57 h LEU 112 Cb 0.22 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2h57 h LEU 112 CO -0.00 -0.21 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.56 2h57 h LEU 113 N -0.13 0.00 -1.00 2.25 3.38 -0.74 -2.64 115.31 116.43 2h57 h LEU 113 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2h57 h LEU 113 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2h57 h LEU 113 CO -0.42 0.26 -0.21 -3.20 0.09 0.00 0.00 178.44 174.97 2h57 n ASN 114 N -4.08 1.77 -4.76 -0.43 2.85 -0.81 -3.68 115.26 106.13 2h57 n ASN 114 Ca -0.02 -1.40 -0.41 0.00 -0.11 0.00 0.00 54.58 52.64 2h57 n ASN 114 Cb 0.32 0.17 -0.02 0.00 1.24 0.00 0.00 39.78 41.49 2h57 n ASN 114 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 2h57 s HIS 115 N -2.28 2.92 0.41 1.20 2.46 -0.61 -4.70 115.29 114.69 2h57 s HIS 115 Ca 0.27 1.09 0.24 0.00 0.47 0.00 0.00 55.06 57.12 2h57 s HIS 115 Cb 0.19 -3.86 1.26 0.00 -0.13 0.00 0.00 32.58 30.05 2h57 s HIS 115 CO 0.45 -2.69 1.69 -1.35 -2.47 0.00 0.00 174.74 170.37 2h57 h PRO 116 N 4.37 0.23 -0.09 2.88 0.11 -1.91 0.13 132.00 137.71 2h57 h PRO 116 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2h57 h PRO 116 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2h57 h PRO 116 CO 0.73 0.15 0.00 -0.25 -0.21 0.00 0.00 178.00 178.43 2h57 n ASP 117 N -4.68 1.44 0.00 -2.05 8.00 -1.26 -4.26 116.55 113.74 2h57 n ASP 117 Ca 0.31 -1.58 0.00 0.00 0.71 0.00 0.00 54.79 54.24 2h57 n ASP 117 Cb 1.15 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 42.20 2h57 n ASP 117 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2h57 n ILE 118 N 0.14 0.00 -0.00 0.53 2.08 0.20 -4.69 119.36 117.61 2h57 n ILE 118 Ca 0.18 0.00 0.22 0.00 0.56 0.00 0.00 62.75 63.70 2h57 n ILE 118 Cb 0.32 -0.90 0.72 0.00 -0.75 0.00 0.00 39.64 39.02 2h57 n ILE 118 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 2h57 h LYS 119 N 0.00 0.00 -0.28 0.38 3.64 -0.95 -2.70 116.57 116.67 2h57 h LYS 119 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2h57 h LYS 119 Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2h57 h LYS 119 CO 0.00 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.90 2h57 n HIS 120 N -4.17 0.53 -4.60 1.91 8.25 -1.26 -4.94 115.22 110.94 2h57 n HIS 120 Ca 0.10 -0.62 -0.33 0.00 -0.26 0.00 0.00 57.72 56.61 2h57 n HIS 120 Cb 0.67 -0.11 -0.13 0.00 1.12 0.00 0.00 29.99 31.54 2h57 n HIS 120 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2h57 s ARG 121 N -1.57 3.32 -1.36 -0.41 0.52 -1.02 -5.02 118.95 113.41 2h57 s ARG 121 Ca 0.26 -0.59 -0.15 0.00 -0.52 0.00 0.00 55.73 54.73 2h57 s ARG 121 Cb 0.17 -2.72 0.02 0.00 0.52 0.00 0.00 34.95 32.94 2h57 s ARG 121 CO 0.12 0.35 2.14 0.54 0.02 0.00 0.00 175.30 178.47 2h57 n ARG 122 N 3.17 2.71 -3.60 3.54 1.74 -1.26 -4.89 116.66 118.07 2h57 n ARG 122 Ca -0.18 -2.58 -0.36 0.00 -0.77 0.00 0.00 57.85 53.96 2h57 n ARG 122 Cb 0.53 -3.27 -0.07 0.00 -1.02 0.00 0.00 32.46 28.62 2h57 n ARG 122 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2h57 s ILE 123 N 3.62 5.32 0.10 0.55 -4.36 -1.26 -4.83 121.20 120.33 2h57 s ILE 123 Ca 0.49 0.49 -0.31 0.00 -0.26 0.00 0.00 60.65 61.06 2h57 s ILE 123 Cb 0.13 -3.59 -0.08 0.00 1.25 0.00 0.00 42.46 40.17 2h57 s ILE 123 CO -0.05 0.44 1.45 -2.16 0.24 0.00 0.00 174.94 174.86 2h57 s PRO 124 N 0.16 4.29 -0.26 0.37 0.04 -1.26 -4.39 135.00 133.95 2h57 s PRO 124 Ca 0.16 2.13 -0.05 0.00 0.04 0.00 0.00 61.00 63.28 2h57 s PRO 124 Cb -0.13 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2h57 s PRO 124 CO 0.04 -0.51 0.02 0.42 0.04 0.00 0.00 177.00 177.01 2h57 s ILE 125 N 1.41 3.65 -0.30 0.56 1.01 -0.55 -1.22 121.20 125.78 2h57 s ILE 125 Ca 0.66 -0.62 -0.17 0.00 0.00 0.00 0.00 60.65 60.52 2h57 s ILE 125 Cb -0.38 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 2h57 s ILE 125 CO 0.30 0.23 0.46 -0.22 0.00 0.00 0.00 174.94 175.71 2h57 s LEU 126 N 1.48 4.17 0.00 2.97 2.96 0.39 -2.18 118.68 128.47 2h57 s LEU 126 Ca 0.04 0.22 -0.12 0.00 -0.22 0.00 0.00 54.13 54.05 2h57 s LEU 126 Cb -0.16 -2.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.94 2h57 s LEU 126 CO -0.00 -0.32 0.36 -0.36 -1.32 0.00 0.00 176.35 174.71 2h57 s PHE 127 N 2.23 3.67 -0.18 5.38 0.40 0.31 -0.59 117.98 129.19 2h57 s PHE 127 Ca 0.18 0.85 0.00 0.00 -0.60 0.00 0.00 56.93 57.35 2h57 s PHE 127 Cb -0.16 -2.19 0.01 0.00 0.51 0.00 0.00 43.02 41.20 2h57 s PHE 127 CO 0.11 0.63 -0.16 -0.06 0.70 0.00 0.00 175.22 176.43 2h57 s PHE 128 N -1.16 2.81 -1.05 0.36 0.40 -0.45 -1.28 117.98 117.61 2h57 s PHE 128 Ca 0.25 -1.40 -0.17 0.00 -0.60 0.00 0.00 56.93 55.01 2h57 s PHE 128 Cb -0.15 -1.95 0.15 0.00 0.51 0.00 0.00 43.02 41.58 2h57 s PHE 128 CO 0.13 -0.70 1.26 0.00 0.70 0.00 0.00 175.22 176.61 2h57 s ALA 129 N 1.23 3.64 0.63 5.36 0.00 0.18 -1.07 121.76 131.73 2h57 s ALA 129 Ca 0.03 -3.02 -0.02 0.00 0.00 0.00 0.00 51.96 48.95 2h57 s ALA 129 Cb -0.14 -4.09 0.06 0.00 0.00 0.00 0.00 23.12 18.95 2h57 s ALA 129 CO -0.09 -2.90 0.90 1.21 0.00 0.00 0.00 175.76 174.89 2h57 s ASN 130 N 3.30 4.96 -1.46 0.00 2.47 0.30 -1.63 114.94 122.86 2h57 s ASN 130 Ca 0.37 0.13 -0.03 0.00 0.42 0.00 0.00 52.86 53.75 2h57 s ASN 130 Cb -0.04 -0.85 0.00 0.00 -1.45 0.00 0.00 41.25 38.91 2h57 s ASN 130 CO -0.05 -1.42 0.36 0.29 -3.72 0.00 0.00 177.10 172.56 2h57 n LYS 131 N -2.64 -3.42 0.22 0.43 5.02 -0.73 -0.65 118.16 116.38 2h57 n LYS 131 Ca 0.09 0.85 0.18 0.00 -2.02 0.00 0.00 58.31 57.41 2h57 n LYS 131 Cb 0.60 -5.46 0.84 0.00 -0.02 0.00 0.00 35.03 30.99 2h57 n LYS 131 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2h57 h MET 132 N -0.83 0.00 0.00 1.97 -0.00 -1.39 -2.38 114.93 112.30 2h57 h MET 132 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.24 2h57 h MET 132 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.93 2h57 h MET 132 CO 0.51 0.00 0.00 0.38 -0.00 0.00 0.00 176.91 177.80 2h57 h ASP 133 N 0.00 0.00 -4.01 -0.10 2.03 -1.91 -3.45 116.42 108.98 2h57 h ASP 133 Ca 0.09 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 55.93 2h57 h ASP 133 Cb 0.63 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.12 2h57 h ASP 133 CO -0.00 0.00 0.36 -0.76 -1.03 0.00 0.00 179.24 177.81 2h57 s LEU 134 N -5.60 4.05 0.25 0.15 1.43 -0.90 -4.96 118.68 113.11 2h57 s LEU 134 Ca 0.05 1.81 -0.04 0.00 -1.03 0.00 0.00 54.13 54.91 2h57 s LEU 134 Cb 0.08 -4.36 0.35 0.00 0.03 0.00 0.00 46.19 42.29 2h57 s LEU 134 CO 0.55 -0.36 1.88 0.08 0.23 0.00 0.00 176.35 178.73 2h57 h ARG 135 N 2.26 1.12 0.00 1.70 -0.00 -1.90 -1.96 114.38 115.60 2h57 h ARG 135 Ca -0.48 -0.07 0.00 0.00 -0.00 0.00 0.00 59.98 59.43 2h57 h ARG 135 Cb 1.19 -0.25 0.00 0.00 -0.00 0.00 0.00 29.97 30.91 2h57 h ARG 135 CO 0.62 0.74 0.00 -0.25 -0.00 0.00 0.00 179.97 181.08 2h57 n ASP 136 N -4.51 0.00 -4.75 0.08 8.00 -1.26 -4.94 116.55 109.17 2h57 n ASP 136 Ca 0.14 -1.48 -0.41 0.00 0.71 0.00 0.00 54.79 53.75 2h57 n ASP 136 Cb 0.14 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 2h57 n ASP 136 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2h57 s ALA 137 N -2.00 3.48 0.24 2.24 0.00 -0.74 -4.52 121.76 120.46 2h57 s ALA 137 Ca 0.25 1.07 -0.14 0.00 0.00 0.00 0.00 51.96 53.14 2h57 s ALA 137 Cb 0.11 -3.44 -0.08 0.00 0.00 0.00 0.00 23.12 19.72 2h57 s ALA 137 CO 0.19 -0.45 0.64 0.08 0.00 0.00 0.00 175.76 176.21 2h57 s VAL 138 N -0.45 4.78 0.76 0.00 1.01 -0.25 -4.91 120.40 121.33 2h57 s VAL 138 Ca 0.52 0.83 -0.11 0.00 0.00 0.00 0.00 61.98 63.21 2h57 s VAL 138 Cb -0.36 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.39 2h57 s VAL 138 CO 0.42 -0.00 1.10 0.42 0.00 0.00 0.00 175.10 177.04 2h57 s THR 139 N -1.75 3.20 0.24 3.92 -4.23 -1.26 -4.83 115.64 110.93 2h57 s THR 139 Ca 0.47 0.39 -0.04 0.00 -1.18 0.00 0.00 61.69 61.33 2h57 s THR 139 Cb -0.12 -3.26 0.14 0.00 1.34 0.00 0.00 72.50 70.59 2h57 s THR 139 CO 0.19 -0.51 1.78 0.77 -0.54 0.00 0.00 174.62 176.31 2h57 h SER 140 N -0.89 0.91 -0.55 3.99 4.64 -1.92 0.16 113.55 119.88 2h57 h SER 140 Ca -0.46 -0.18 0.06 0.00 -0.47 0.00 0.00 61.79 60.74 2h57 h SER 140 Cb 1.27 -0.24 -0.06 0.00 -0.31 0.00 0.00 62.40 63.06 2h57 h SER 140 CO 0.62 0.88 0.25 0.58 -0.87 0.00 0.00 176.83 178.29 2h57 h VAL 141 N 0.92 0.88 -0.59 0.95 2.07 -1.95 -0.28 116.25 118.25 2h57 h VAL 141 Ca 0.20 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.45 2h57 h VAL 141 Cb 0.34 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2h57 h VAL 141 CO 0.00 0.09 -0.02 0.50 0.02 0.00 0.00 177.57 178.16 2h57 h LYS 142 N 0.47 1.05 -0.41 1.57 1.63 -1.69 -2.43 116.57 116.77 2h57 h LYS 142 Ca 0.26 -0.34 -0.03 0.00 -0.85 0.00 0.00 60.65 59.69 2h57 h LYS 142 Cb 0.23 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 2h57 h LYS 142 CO -0.22 1.04 0.16 0.28 -3.45 0.00 0.00 179.45 177.26 2h57 h VAL 143 N 0.96 1.20 -0.96 2.00 2.07 -0.74 0.32 116.25 121.09 2h57 h VAL 143 Ca 0.17 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 67.11 2h57 h VAL 143 Cb 0.58 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 2h57 h VAL 143 CO 0.03 0.23 0.63 -1.28 0.02 0.00 0.00 177.57 177.20 2h57 h SER 144 N 0.52 1.01 0.10 0.57 0.87 -0.93 -0.69 113.55 115.00 2h57 h SER 144 Ca 0.14 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 2h57 h SER 144 Cb 0.21 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2h57 h SER 144 CO -0.01 0.67 -0.05 -0.61 -0.53 0.00 0.00 176.83 176.30 2h57 h GLN 145 N 1.16 -0.13 -0.83 2.24 4.15 -1.01 -1.15 115.11 119.53 2h57 h GLN 145 Ca 0.40 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.87 2h57 h GLN 145 Cb 0.10 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.77 2h57 h GLN 145 CO -0.14 0.18 0.54 -0.07 -1.93 0.00 0.00 178.83 177.41 2h57 h LEU 146 N -0.46 0.87 -0.10 -2.39 3.38 -0.61 -2.49 115.31 113.50 2h57 h LEU 146 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2h57 h LEU 146 Cb 0.38 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2h57 h LEU 146 CO 0.02 0.59 -0.38 0.18 0.09 0.00 0.00 178.44 178.94 2h57 n LEU 147 N -4.46 0.54 -3.15 1.67 4.77 -0.30 -4.96 117.00 111.11 2h57 n LEU 147 Ca 0.11 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.90 2h57 n LEU 147 Cb 0.13 -0.25 0.07 0.00 -2.33 0.00 0.00 43.42 41.05 2h57 n LEU 147 CO 0.34 0.12 0.19 0.00 -1.33 0.00 0.00 177.39 176.72 2h57 h LEU 149 N -2.19 0.00 -2.53 0.00 3.38 -1.58 -0.97 115.31 111.42 2h57 h LEU 149 Ca -0.49 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 2h57 h LEU 149 Cb 1.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 2h57 h LEU 149 CO 0.47 0.08 -0.00 -0.33 0.09 0.00 0.00 178.44 178.75 2h57 h GLU 150 N 0.00 0.00 0.00 1.13 4.39 -1.91 -0.37 114.58 117.83 2h57 h GLU 150 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2h57 h GLU 150 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2h57 h GLU 150 CO 0.01 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.95 2h57 n ASN 151 N -3.10 0.36 -4.56 1.42 3.02 -0.37 -4.57 115.26 107.45 2h57 n ASN 151 Ca -0.02 0.58 -0.41 0.00 -0.03 0.00 0.00 54.58 54.69 2h57 n ASN 151 Cb 0.14 -0.66 -0.03 0.00 -0.61 0.00 0.00 39.78 38.63 2h57 n ASN 151 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2h57 s ILE 152 N -3.14 3.82 -0.16 2.41 1.01 -0.15 -4.83 121.20 120.16 2h57 s ILE 152 Ca 0.07 0.61 0.13 0.00 0.00 0.00 0.00 60.65 61.45 2h57 s ILE 152 Cb 0.10 -4.76 -0.18 0.00 0.01 0.00 0.00 42.46 37.63 2h57 s ILE 152 CO 0.37 -1.56 0.03 0.29 0.00 0.00 0.00 174.94 174.07 2h57 n LYS 153 N 8.96 1.39 -0.29 2.79 4.76 -1.26 -4.62 118.16 129.89 2h57 n LYS 153 Ca 0.07 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.63 2h57 n LYS 153 Cb 0.49 -1.40 0.27 0.00 -1.84 0.00 0.00 35.03 32.56 2h57 n LYS 153 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2h57 n ASP 154 N -2.62 3.74 -4.02 4.39 5.68 -1.26 -4.89 116.55 117.57 2h57 n ASP 154 Ca -0.26 -2.00 -0.17 0.00 -0.50 0.00 0.00 54.79 51.86 2h57 n ASP 154 Cb 0.99 -0.38 -0.14 0.00 -1.14 0.00 0.00 41.12 40.46 2h57 n ASP 154 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2h57 s LYS 155 N -1.24 0.60 0.24 0.11 1.02 -1.26 -4.54 119.74 114.66 2h57 s LYS 155 Ca 0.44 -0.40 -0.30 0.00 0.02 0.00 0.00 55.97 55.74 2h57 s LYS 155 Cb 0.24 -0.54 -0.09 0.00 -0.52 0.00 0.00 37.83 36.92 2h57 s LYS 155 CO 0.33 0.14 1.17 -1.25 -0.92 0.00 0.00 175.35 174.82 2h57 s PRO 156 N -0.53 4.54 0.11 -1.68 0.04 -1.26 -4.93 135.00 131.28 2h57 s PRO 156 Ca 0.00 1.88 -0.02 0.00 0.04 0.00 0.00 61.00 62.91 2h57 s PRO 156 Cb -0.05 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2h57 s PRO 156 CO 0.00 0.02 0.05 1.67 0.04 0.00 0.00 177.00 178.78 2h57 s TRP 157 N -0.58 0.72 -0.06 0.56 1.48 -1.26 -1.48 118.94 118.33 2h57 s TRP 157 Ca 0.49 -1.14 -0.17 0.00 -1.06 0.00 0.00 56.10 54.22 2h57 s TRP 157 Cb -0.33 -0.42 0.04 0.00 -1.16 0.00 0.00 33.47 31.60 2h57 s TRP 157 CO 0.40 -0.50 0.40 -1.58 -4.06 0.00 0.00 176.95 171.61 2h57 s HIS 158 N -4.01 -0.33 -0.01 1.66 2.46 -0.93 -4.99 115.29 109.15 2h57 s HIS 158 Ca 0.19 0.63 0.07 0.00 0.47 0.00 0.00 55.06 56.41 2h57 s HIS 158 Cb 0.07 0.16 -0.02 0.00 -0.13 0.00 0.00 32.58 32.67 2h57 s HIS 158 CO -0.02 -0.38 -0.21 -1.50 -2.47 0.00 0.00 174.74 170.16 2h57 s ILE 159 N -0.90 1.67 0.03 0.89 2.07 -1.26 -0.53 121.20 123.17 2h57 s ILE 159 Ca -0.10 -0.91 0.05 0.00 -1.41 0.00 0.00 60.65 58.28 2h57 s ILE 159 Cb -0.04 -1.39 -0.02 0.00 0.13 0.00 0.00 42.46 41.14 2h57 s ILE 159 CO 0.04 0.47 -0.14 0.00 -1.91 0.00 0.00 174.94 173.40 2h57 s ALA 161 N -0.75 3.18 -0.04 0.00 0.00 -1.26 0.52 121.76 123.42 2h57 s ALA 161 Ca 0.02 0.54 -0.12 0.00 0.00 0.00 0.00 51.96 52.40 2h57 s ALA 161 Cb -0.07 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.88 2h57 s ALA 161 CO 0.01 0.12 0.28 -1.54 0.00 0.00 0.00 175.76 174.63 2h57 s SER 162 N -1.65 -0.19 -0.32 0.00 1.04 -0.65 -4.15 113.70 107.79 2h57 s SER 162 Ca 0.52 0.18 0.04 0.00 0.48 0.00 0.00 55.95 57.16 2h57 s SER 162 Cb -0.18 0.38 0.09 0.00 0.10 0.00 0.00 66.02 66.40 2h57 s SER 162 CO 0.23 -0.34 0.01 -0.62 0.98 0.00 0.00 173.24 173.51 2h57 s ASP 163 N -0.93 4.70 0.47 7.02 -1.08 -0.73 -1.40 116.67 124.73 2h57 s ASP 163 Ca -0.10 -1.96 0.27 0.00 -0.52 0.00 0.00 52.55 50.24 2h57 s ASP 163 Cb -0.05 -1.61 0.73 0.00 -1.46 0.00 0.00 42.92 40.53 2h57 s ASP 163 CO 0.03 -0.33 1.75 0.00 0.52 0.00 0.00 175.17 177.13 2h57 h ALA 164 N 7.66 0.99 -0.20 3.66 0.00 -1.93 0.34 119.26 129.78 2h57 h ALA 164 Ca -0.08 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2h57 h ALA 164 Cb 1.03 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2h57 h ALA 164 CO 0.51 0.04 -0.14 0.82 0.00 0.00 0.00 179.25 180.48 2h57 h ILE 165 N 0.00 1.32 0.10 0.00 1.08 -1.95 -3.27 117.51 114.79 2h57 h ILE 165 Ca -0.00 -1.25 -0.26 0.00 -0.39 0.00 0.00 64.86 62.96 2h57 h ILE 165 Cb 0.83 1.70 -0.00 0.00 -3.07 0.00 0.00 36.82 36.28 2h57 h ILE 165 CO 0.00 0.38 -1.18 0.50 -0.69 0.00 0.00 178.15 177.17 2h57 h LYS 166 N 0.13 0.23 0.00 2.37 3.64 -1.97 -3.48 116.57 117.49 2h57 h LYS 166 Ca 0.04 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2h57 h LYS 166 Cb 0.66 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2h57 h LYS 166 CO 0.04 1.17 0.00 0.41 -2.27 0.00 0.00 179.45 178.80 2h57 n GLY 167 N 1.45 0.66 3.74 5.01 0.00 0.11 -5.07 105.19 111.09 2h57 n GLY 167 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2h57 n GLY 167 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2h57 s GLU 168 N -0.89 4.26 0.00 1.61 2.56 -0.84 -2.98 118.70 122.43 2h57 s GLU 168 Ca 0.00 2.29 0.00 0.00 0.00 0.00 0.00 54.97 57.26 2h57 s GLU 168 Cb 0.00 -3.13 0.00 0.00 2.00 0.00 0.00 34.13 33.00 2h57 s GLU 168 CO 0.00 -0.47 0.00 0.41 -0.56 0.00 0.00 175.26 174.64 2h57 n GLY 169 N 2.72 3.12 0.29 -1.50 0.00 -1.26 -1.78 105.19 106.79 2h57 n GLY 169 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 2h57 n GLY 169 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2h57 h LEU 170 N 0.00 0.93 -0.54 0.99 3.38 -1.80 -3.00 115.31 115.27 2h57 h LEU 170 Ca 0.00 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.78 2h57 h LEU 170 Cb 0.00 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.44 2h57 h LEU 170 CO 0.00 1.01 0.19 -0.61 0.09 0.00 0.00 178.44 179.13 2h57 h GLN 171 N 0.86 0.36 -0.70 1.13 5.75 -1.91 -1.29 115.11 119.31 2h57 h GLN 171 Ca 0.15 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 2h57 h GLN 171 Cb 0.57 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.01 2h57 h GLN 171 CO 0.03 0.24 0.40 1.49 -2.65 0.00 0.00 178.83 178.34 2h57 h GLU 172 N 0.38 0.97 0.24 1.69 4.81 -1.93 -0.50 114.58 120.24 2h57 h GLU 172 Ca 0.26 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2h57 h GLU 172 Cb 0.29 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2h57 h GLU 172 CO -0.26 0.72 -0.12 0.78 -0.73 0.00 0.00 179.01 179.40 2h57 h GLY 173 N 0.96 -0.34 0.67 1.92 0.00 -1.41 -0.58 103.07 104.30 2h57 h GLY 173 Ca 0.25 0.13 0.08 0.00 0.00 0.00 0.00 47.33 47.78 2h57 h GLY 173 CO -0.04 -0.12 0.62 -2.08 0.00 0.00 0.00 176.54 174.91 2h57 h VAL 174 N -0.43 1.04 -0.62 4.60 2.07 -1.18 0.17 116.25 121.90 2h57 h VAL 174 Ca -0.03 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 2h57 h VAL 174 Cb 0.33 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 2h57 h VAL 174 CO 0.05 0.20 0.12 0.44 0.02 0.00 0.00 177.57 178.40 2h57 h ASP 175 N 1.09 0.97 -0.46 0.57 3.32 -1.01 -0.33 116.42 120.57 2h57 h ASP 175 Ca 0.43 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 2h57 h ASP 175 Cb 0.24 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2h57 h ASP 175 CO -0.19 0.97 0.10 -0.25 -1.72 0.00 0.00 179.24 178.15 2h57 h TRP 176 N 0.92 0.78 -0.13 4.55 7.01 -0.29 -2.60 115.95 126.21 2h57 h TRP 176 Ca 0.19 -0.10 -0.00 0.00 2.11 0.00 0.00 58.89 61.09 2h57 h TRP 176 Cb 0.40 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.24 2h57 h TRP 176 CO 0.03 0.72 0.08 1.25 -2.79 0.00 0.00 178.44 177.73 2h57 h LEU 177 N 0.62 0.16 -0.83 0.65 5.85 -0.48 -2.33 115.31 118.95 2h57 h LEU 177 Ca 0.14 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.89 2h57 h LEU 177 Cb 0.34 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.26 2h57 h LEU 177 CO 0.00 0.16 0.49 -0.61 -0.34 0.00 0.00 178.44 178.14 2h57 h GLN 178 N 0.14 0.82 -0.55 1.25 4.15 -1.07 -2.06 115.11 117.79 2h57 h GLN 178 Ca 0.05 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.43 2h57 h GLN 178 Cb 0.04 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.51 2h57 h GLN 178 CO -0.01 0.54 0.35 -0.44 -1.93 0.00 0.00 178.83 177.34 2h57 h ASP 179 N 0.84 0.59 0.08 -0.69 3.32 -1.21 -2.61 116.42 116.74 2h57 h ASP 179 Ca 0.38 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 2h57 h ASP 179 Cb 0.29 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 2h57 h ASP 179 CO -0.22 0.43 -0.07 1.56 -1.72 0.00 0.00 179.24 179.22 2h57 h GLN 180 N 0.71 0.00 -0.03 3.56 1.08 -0.84 -3.52 115.11 116.08 2h57 h GLN 180 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2h57 h GLN 180 Cb -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 2h57 h GLN 180 CO -0.06 0.07 0.00 -0.89 -0.95 0.00 0.00 178.83 177.00