#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h57 s GLU 17 N 0.00 4.22 -0.04 1.64 2.12 -1.26 0.95 118.70 126.33 2h57 s GLU 17 Ca 0.00 0.30 0.02 0.00 0.36 0.00 0.00 54.97 55.64 2h57 s GLU 17 Cb 0.00 -3.39 0.01 0.00 0.26 0.00 0.00 34.13 31.01 2h57 s GLU 17 CO 0.00 0.29 -0.06 0.54 -0.54 0.00 0.00 175.26 175.49 2h57 s VAL 18 N 0.24 0.61 -0.23 3.70 0.11 -0.18 -4.95 120.40 119.70 2h57 s VAL 18 Ca 0.22 -0.21 -0.16 0.00 -2.93 0.00 0.00 61.98 58.90 2h57 s VAL 18 Cb -0.14 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 2h57 s VAL 18 CO 0.08 0.23 0.41 -1.00 -3.33 0.00 0.00 175.10 171.48 2h57 s HIS 19 N 0.62 3.32 0.03 1.54 3.76 -1.26 -0.32 115.29 122.98 2h57 s HIS 19 Ca -0.09 0.55 0.06 0.00 -0.15 0.00 0.00 55.06 55.44 2h57 s HIS 19 Cb -0.12 -2.57 -0.02 0.00 1.11 0.00 0.00 32.58 30.98 2h57 s HIS 19 CO 0.01 -0.11 -0.17 0.54 -0.85 0.00 0.00 174.74 174.15 2h57 s VAL 20 N 1.68 1.36 -0.21 -0.90 0.11 0.05 0.11 120.40 122.60 2h57 s VAL 20 Ca 0.18 -1.02 -0.09 0.00 -2.93 0.00 0.00 61.98 58.11 2h57 s VAL 20 Cb -0.15 -1.19 -0.05 0.00 -1.53 0.00 0.00 36.38 33.46 2h57 s VAL 20 CO 0.09 0.15 0.12 -0.76 -3.33 0.00 0.00 175.10 171.36 2h57 s LEU 21 N -1.02 4.01 -0.37 2.54 1.43 -0.78 -0.54 118.68 123.94 2h57 s LEU 21 Ca 0.05 0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.15 2h57 s LEU 21 Cb -0.08 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.11 2h57 s LEU 21 CO 0.01 0.12 0.21 0.00 0.23 0.00 0.00 176.35 176.92 2h57 s LEU 23 N 1.58 2.46 0.00 0.00 1.43 0.04 -2.06 118.68 122.13 2h57 s LEU 23 Ca 0.03 -1.23 0.00 0.00 -1.03 0.00 0.00 54.13 51.90 2h57 s LEU 23 Cb -0.19 -0.62 0.00 0.00 0.03 0.00 0.00 46.19 45.41 2h57 s LEU 23 CO 0.07 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 176.88 2h57 n GLY 24 N -0.62 3.42 3.75 -3.19 0.00 -1.26 -0.71 105.19 106.57 2h57 n GLY 24 Ca -0.05 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 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 2.13 0.56 0.99 1.43 -1.26 -3.99 118.68 118.55 2h57 s LEU 25 Ca 0.00 1.25 -0.20 0.00 -1.03 0.00 0.00 54.13 54.15 2h57 s LEU 25 Cb 0.00 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 2h57 s LEU 25 CO 0.00 -2.56 1.21 1.51 0.23 0.00 0.00 176.35 176.73 2h57 s ASP 26 N -3.70 5.42 0.00 2.29 -4.77 -1.15 -2.99 116.67 111.78 2h57 s ASP 26 Ca 0.63 2.38 0.00 0.00 -3.30 0.00 0.00 52.55 52.27 2h57 s ASP 26 Cb -0.16 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.07 2h57 s ASP 26 CO 0.56 -1.43 0.00 -3.20 0.70 0.00 0.00 175.17 171.79 2h57 n ASN 27 N -1.32 -4.07 0.13 2.11 5.15 -1.26 -4.90 115.26 111.10 2h57 n ASN 27 Ca 0.12 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 54.11 2h57 n ASN 27 Cb 0.49 -1.82 0.03 0.00 -0.53 0.00 0.00 39.78 37.95 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 -1.88 -3.47 113.55 114.03 2h57 h SER 28 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2h57 h SER 28 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2h57 h SER 28 CO 0.00 0.61 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 2h57 n GLY 29 N 1.12 1.61 0.33 -0.77 0.00 -1.26 -4.28 105.19 101.94 2h57 n GLY 29 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 0.34 -0.27 -0.24 1.61 1.57 -1.92 0.63 116.57 118.28 2h57 h LYS 30 Ca 0.00 0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 2h57 h LYS 30 Cb 0.00 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2h57 h LYS 30 CO 0.00 -0.18 -0.48 1.15 -0.57 0.00 0.00 179.45 179.36 2h57 h THR 31 N -0.28 1.30 -0.67 -0.16 2.02 -1.97 -1.50 112.91 111.65 2h57 h THR 31 Ca 0.15 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.65 2h57 h THR 31 Cb 0.54 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 2h57 h THR 31 CO -0.49 0.54 0.44 0.74 0.37 0.00 0.00 175.52 177.11 2h57 h THR 32 N 0.52 1.18 0.09 3.16 2.02 -1.86 -1.35 112.91 116.67 2h57 h THR 32 Ca 0.03 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 2h57 h THR 32 Cb 1.03 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2h57 h THR 32 CO 0.10 0.17 -0.04 0.40 0.37 0.00 0.00 175.52 176.52 2h57 h ILE 33 N 0.91 0.98 -0.87 3.11 2.04 -0.57 -1.39 117.51 121.73 2h57 h ILE 33 Ca 0.25 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2h57 h ILE 33 Cb -0.09 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 2h57 h ILE 33 CO -0.05 0.06 0.48 0.40 0.00 0.00 0.00 178.15 179.04 2h57 h ILE 34 N -0.24 1.25 -0.11 -0.67 1.08 -1.22 -2.15 117.51 115.45 2h57 h ILE 34 Ca -0.01 -0.61 0.02 0.00 -0.39 0.00 0.00 64.86 63.87 2h57 h ILE 34 Cb 0.20 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.01 2h57 h ILE 34 CO 0.02 0.28 -0.02 -1.13 -0.69 0.00 0.00 178.15 176.61 2h57 h ASN 35 N 1.21 -0.08 0.32 1.72 -1.24 -1.17 -2.86 115.58 113.48 2h57 h ASN 35 Ca 0.31 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.34 2h57 h ASN 35 Cb 0.02 0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.13 2h57 h ASN 35 CO -0.05 -0.03 -0.05 0.50 -1.29 0.00 0.00 177.43 176.51 2h57 h LYS 36 N 0.01 0.00 0.00 6.67 1.63 -0.68 -0.38 116.57 123.82 2h57 h LYS 36 Ca 0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 2h57 h LYS 36 Cb 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 2h57 h LYS 36 CO -0.11 0.05 0.00 1.28 -3.45 0.00 0.00 179.45 177.22 2h57 n LEU 37 N -3.42 0.11 -4.87 5.20 4.77 -0.86 -4.84 117.00 113.09 2h57 n LEU 37 Ca -0.02 0.51 -0.31 0.00 -0.03 0.00 0.00 56.01 56.17 2h57 n LEU 37 Cb 0.18 -0.48 0.01 0.00 -2.33 0.00 0.00 43.42 40.79 2h57 n LEU 37 CO 0.26 -0.10 0.69 -0.54 -1.33 0.00 0.00 177.39 176.38 2h57 s LYS 38 N -3.02 3.62 0.40 3.23 1.02 -0.15 -4.56 119.74 120.26 2h57 s LYS 38 Ca 0.12 0.71 -0.26 0.00 0.02 0.00 0.00 55.97 56.56 2h57 s LYS 38 Cb 0.16 -2.11 -0.11 0.00 -0.52 0.00 0.00 37.83 35.25 2h57 s LYS 38 CO 0.47 -0.51 1.19 -2.30 -0.92 0.00 0.00 175.35 173.28 2h57 n PRO 39 N -2.62 1.78 -0.30 -1.68 -0.02 -1.26 -4.79 135.00 126.11 2h57 n PRO 39 Ca 0.06 0.63 0.32 0.00 -2.02 0.00 0.00 63.50 62.49 2h57 n PRO 39 Cb 0.54 -2.25 0.70 0.00 -0.02 0.00 0.00 33.50 32.47 2h57 n PRO 39 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2h57 h SER 40 N 2.03 0.09 1.51 2.55 0.02 -1.94 0.20 113.55 118.01 2h57 h SER 40 Ca -0.46 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2h57 h SER 40 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 2h57 h SER 40 CO 0.60 0.02 -0.32 -0.55 -1.14 0.00 0.00 176.83 175.43 2h57 h ASN 41 N 0.08 0.00 0.18 3.07 7.08 -2.01 -3.22 115.58 120.77 2h57 h ASN 41 Ca 0.55 -0.03 0.00 0.00 -3.08 0.00 0.00 56.30 53.74 2h57 h ASN 41 Cb 2.04 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.28 2h57 h ASN 41 CO -0.07 0.02 -0.48 0.00 -2.08 0.00 0.00 177.43 174.81 2h57 n ALA 42 N -2.02 3.57 -2.47 4.14 0.00 0.65 -4.99 120.51 119.40 2h57 n ALA 42 Ca 0.03 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.56 2h57 n ALA 42 Cb 0.50 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 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 -2.68 4.44 0.28 0.00 -0.21 -0.99 -4.95 119.66 115.56 2h57 s GLN 43 Ca 0.17 1.71 -0.30 0.00 0.02 0.00 0.00 55.36 56.97 2h57 s GLN 43 Cb 0.18 -3.39 -0.10 0.00 1.00 0.00 0.00 33.01 30.70 2h57 s GLN 43 CO 0.63 -0.25 1.44 0.45 -2.12 0.00 0.00 175.29 175.43 2h57 s SER 44 N 1.11 6.62 -0.02 5.90 0.15 -1.26 -4.96 113.70 121.23 2h57 s SER 44 Ca 0.57 2.74 0.22 0.00 0.70 0.00 0.00 55.95 60.18 2h57 s SER 44 Cb -0.28 -2.63 -0.31 0.00 -1.71 0.00 0.00 66.02 61.09 2h57 s SER 44 CO 0.28 -0.71 0.50 0.00 1.20 0.00 0.00 173.24 174.51 2h57 n GLN 45 N 1.86 0.66 -3.90 5.44 1.13 -1.26 -4.72 117.38 116.59 2h57 n GLN 45 Ca 0.05 -0.17 -0.30 0.00 -1.94 0.00 0.00 57.00 54.65 2h57 n GLN 45 Cb 0.40 -1.54 -0.14 0.00 0.11 0.00 0.00 30.24 29.07 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 -4.64 4.22 -0.05 1.08 -0.87 -1.26 -5.10 114.94 108.32 2h57 s ASN 46 Ca -0.08 -2.77 -0.21 0.00 -1.57 0.00 0.00 52.86 48.24 2h57 s ASN 46 Cb 0.13 -1.48 -0.05 0.00 -0.02 0.00 0.00 41.25 39.84 2h57 s ASN 46 CO 0.90 -0.26 0.59 -0.63 -2.57 0.00 0.00 177.10 175.12 2h57 s ILE 47 N 0.07 5.02 0.20 0.60 1.01 -1.26 -5.07 121.20 121.77 2h57 s ILE 47 Ca 0.16 1.21 0.07 0.00 0.00 0.00 0.00 60.65 62.10 2h57 s ILE 47 Cb -0.24 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 2h57 s ILE 47 CO -0.02 0.35 -0.13 -0.76 0.00 0.00 0.00 174.94 174.38 2h57 s LEU 48 N 0.28 2.54 0.16 2.97 1.43 -1.26 -5.10 118.68 119.71 2h57 s LEU 48 Ca 0.31 -1.03 -0.34 0.00 -1.03 0.00 0.00 54.13 52.05 2h57 s LEU 48 Cb -0.17 -0.62 -0.15 0.00 0.03 0.00 0.00 46.19 45.27 2h57 s LEU 48 CO 0.16 -0.20 1.31 -2.65 0.23 0.00 0.00 176.35 175.19 2h57 n PRO 49 N -0.37 1.45 -2.43 1.29 -0.02 -1.26 -4.90 135.00 128.77 2h57 n PRO 49 Ca -0.08 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.51 2h57 n PRO 49 Cb 0.61 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.92 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 0.15 3.54 -0.46 3.45 2.01 -1.26 -4.99 115.64 118.08 2h57 s THR 50 Ca 0.76 1.42 -0.16 0.00 0.31 0.00 0.00 61.69 64.01 2h57 s THR 50 Cb -0.82 -3.90 0.05 0.00 0.01 0.00 0.00 72.50 67.84 2h57 s THR 50 CO 0.48 0.28 0.44 -0.63 -0.69 0.00 0.00 174.62 174.50 2h57 s ILE 51 N -0.62 5.14 0.00 1.82 1.01 -1.26 -4.60 121.20 122.69 2h57 s ILE 51 Ca 0.48 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.35 2h57 s ILE 51 Cb -0.32 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.03 2h57 s ILE 51 CO 0.39 -0.57 0.00 0.61 0.00 0.00 0.00 174.94 175.38 2h57 n GLY 52 N 5.18 1.64 3.54 6.18 0.00 -1.26 -4.70 105.19 115.77 2h57 n GLY 52 Ca -0.10 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.25 0.05 1.61 -0.71 -1.26 -0.73 117.98 116.69 2h57 s PHE 53 Ca 0.00 -0.07 0.04 0.00 -1.04 0.00 0.00 56.93 55.86 2h57 s PHE 53 Cb 0.00 0.49 -0.02 0.00 -1.21 0.00 0.00 43.02 42.28 2h57 s PHE 53 CO 0.00 -0.95 -0.13 -1.12 -1.34 0.00 0.00 175.22 171.69 2h57 s SER 54 N -2.84 1.47 -0.23 1.98 0.01 -0.01 -4.98 113.70 109.10 2h57 s SER 54 Ca 0.07 -0.51 -0.18 0.00 1.31 0.00 0.00 55.95 56.64 2h57 s SER 54 Cb -0.02 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.12 2h57 s SER 54 CO -0.04 -0.05 0.49 -0.63 0.41 0.00 0.00 173.24 173.42 2h57 s ILE 55 N -1.06 5.11 0.27 1.44 1.01 -1.26 -0.89 121.20 125.82 2h57 s ILE 55 Ca -0.02 0.86 0.08 0.00 0.00 0.00 0.00 60.65 61.57 2h57 s ILE 55 Cb -0.09 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 2h57 s ILE 55 CO 0.01 0.15 -0.09 -1.61 0.00 0.00 0.00 174.94 173.41 2h57 s GLU 56 N 1.85 1.53 -0.00 2.79 0.41 -0.25 -4.96 118.70 120.07 2h57 s GLU 56 Ca 0.22 -1.75 0.01 0.00 -0.41 0.00 0.00 54.97 53.04 2h57 s GLU 56 Cb -0.15 -1.24 -0.00 0.00 -1.78 0.00 0.00 34.13 30.95 2h57 s GLU 56 CO 0.09 0.10 -0.04 0.15 -0.49 0.00 0.00 175.26 175.08 2h57 s LYS 57 N -3.68 0.32 0.27 1.61 1.02 -1.26 0.05 119.74 118.07 2h57 s LYS 57 Ca 0.28 -0.14 -0.07 0.00 0.02 0.00 0.00 55.97 56.07 2h57 s LYS 57 Cb 0.02 -0.32 -0.01 0.00 -0.52 0.00 0.00 37.83 37.00 2h57 s LYS 57 CO 0.11 0.08 0.40 -0.59 -0.92 0.00 0.00 175.35 174.43 2h57 s PHE 58 N -0.06 0.79 -0.01 3.18 -0.71 -1.06 -4.83 117.98 115.28 2h57 s PHE 58 Ca 0.01 -1.07 0.07 0.00 -1.04 0.00 0.00 56.93 54.90 2h57 s PHE 58 Cb -0.02 -0.08 -0.02 0.00 -1.21 0.00 0.00 43.02 41.69 2h57 s PHE 58 CO -0.00 -0.96 -0.23 0.15 -1.34 0.00 0.00 175.22 172.84 2h57 s LYS 59 N -3.73 1.81 0.00 1.99 1.02 -1.26 0.10 119.74 119.68 2h57 s LYS 59 Ca 0.29 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.46 2h57 s LYS 59 Cb 0.01 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.55 2h57 s LYS 59 CO 0.14 0.48 0.00 -1.13 -0.92 0.00 0.00 175.35 173.92 2h57 n SER 60 N 2.48 0.00 -0.06 2.83 3.41 -0.16 -4.98 113.62 117.13 2h57 n SER 60 Ca -0.16 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.35 2h57 n SER 60 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 2h57 n SER 60 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2h57 h SER 61 N 0.00 0.30 -0.08 4.04 0.87 -2.01 -3.34 113.55 113.34 2h57 h SER 61 Ca 0.00 -0.15 -0.19 0.00 -1.23 0.00 0.00 61.79 60.22 2h57 h SER 61 Cb 0.00 -0.08 -0.38 0.00 -0.44 0.00 0.00 62.40 61.51 2h57 h SER 61 CO 0.00 0.36 -1.03 -1.54 -0.53 0.00 0.00 176.83 174.09 2h57 n SER 62 N -4.82 1.15 -4.11 6.23 3.41 -1.26 -5.09 113.62 109.13 2h57 n SER 62 Ca -0.03 -2.09 -0.16 0.00 -0.26 0.00 0.00 58.87 56.33 2h57 n SER 62 Cb 0.12 -0.34 -0.12 0.00 -0.26 0.00 0.00 64.21 63.61 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 -0.78 2.23 -0.30 1.04 1.43 -1.25 -3.71 118.68 117.34 2h57 s LEU 63 Ca 0.33 -0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 52.86 2h57 s LEU 63 Cb 0.38 -0.37 0.04 0.00 0.03 0.00 0.00 46.19 46.27 2h57 s LEU 63 CO -0.14 -0.10 0.03 -0.44 0.23 0.00 0.00 176.35 175.93 2h57 s SER 64 N -1.47 4.96 -0.16 2.29 0.01 0.27 -0.99 113.70 118.61 2h57 s SER 64 Ca -0.05 -1.07 -0.16 0.00 1.31 0.00 0.00 55.95 55.98 2h57 s SER 64 Cb -0.09 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 2h57 s SER 64 CO 0.01 -0.25 0.41 -0.36 0.41 0.00 0.00 173.24 173.47 2h57 s PHE 65 N 1.35 3.45 -0.31 2.43 0.40 0.12 -1.01 117.98 124.41 2h57 s PHE 65 Ca -0.02 0.73 -0.10 0.00 -0.60 0.00 0.00 56.93 56.94 2h57 s PHE 65 Cb -0.19 -2.50 -0.01 0.00 0.51 0.00 0.00 43.02 40.83 2h57 s PHE 65 CO 0.00 0.12 0.15 0.99 0.70 0.00 0.00 175.22 177.18 2h57 s THR 66 N 0.85 4.62 -0.20 0.64 2.01 0.57 -2.56 115.64 121.57 2h57 s THR 66 Ca 0.22 -0.41 -0.06 0.00 0.31 0.00 0.00 61.69 61.75 2h57 s THR 66 Cb -0.14 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 2h57 s THR 66 CO 0.08 0.07 0.02 -0.69 -0.69 0.00 0.00 174.62 173.40 2h57 s VAL 67 N 1.62 4.16 -0.83 3.82 1.01 0.11 -0.77 120.40 129.51 2h57 s VAL 67 Ca 0.05 -0.25 -0.22 0.00 0.00 0.00 0.00 61.98 61.56 2h57 s VAL 67 Cb -0.17 -2.88 0.07 0.00 0.00 0.00 0.00 36.38 33.41 2h57 s VAL 67 CO 0.06 0.43 1.18 -0.36 0.00 0.00 0.00 175.10 176.41 2h57 s PHE 68 N 0.86 2.69 -0.68 5.22 0.40 0.30 -1.09 117.98 125.68 2h57 s PHE 68 Ca 0.01 -0.75 -0.25 0.00 -0.60 0.00 0.00 56.93 55.35 2h57 s PHE 68 Cb -0.14 -4.44 0.05 0.00 0.51 0.00 0.00 43.02 39.00 2h57 s PHE 68 CO 0.02 -1.75 1.09 0.34 0.70 0.00 0.00 175.22 175.62 2h57 s ASP 69 N 3.97 6.19 0.36 1.36 2.15 -0.07 -0.90 116.67 129.74 2h57 s ASP 69 Ca 0.33 -0.69 -0.15 0.00 0.43 0.00 0.00 52.55 52.46 2h57 s ASP 69 Cb -0.08 -2.48 -0.09 0.00 -0.30 0.00 0.00 42.92 39.97 2h57 s ASP 69 CO 0.01 -1.57 0.78 -0.04 -0.17 0.00 0.00 175.17 174.18 2h57 s MET 70 N 4.70 4.00 0.39 4.34 -1.94 -0.88 -0.83 119.30 129.08 2h57 s MET 70 Ca 0.28 0.71 -0.26 0.00 -1.71 0.00 0.00 55.69 54.72 2h57 s MET 70 Cb -0.13 -2.38 -0.09 0.00 2.01 0.00 0.00 34.83 34.25 2h57 s MET 70 CO 0.13 0.09 1.21 0.45 -0.01 0.00 0.00 175.02 176.89 2h57 s SER 71 N -2.42 6.50 0.00 3.03 0.15 0.09 -4.89 113.70 116.17 2h57 s SER 71 Ca 0.55 2.46 0.26 0.00 0.70 0.00 0.00 55.95 59.91 2h57 s SER 71 Cb -0.10 -2.62 0.56 0.00 -1.71 0.00 0.00 66.02 62.15 2h57 s SER 71 CO 0.19 -0.70 1.46 0.61 1.20 0.00 0.00 173.24 176.00 2h57 n GLY 72 N 0.68 0.19 3.78 9.45 0.00 -1.26 -4.60 105.19 113.44 2h57 n GLY 72 Ca 0.04 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.17 4.02 0.27 1.61 -0.21 -1.26 -2.92 119.66 119.00 2h57 s GLN 73 Ca 0.29 2.56 0.00 0.00 0.02 0.00 0.00 55.36 58.24 2h57 s GLN 73 Cb 0.20 -2.91 0.59 0.00 1.00 0.00 0.00 33.01 31.89 2h57 s GLN 73 CO 0.40 -0.60 1.75 0.78 -2.12 0.00 0.00 175.29 175.49 2h57 h GLY 74 N 2.86 1.43 2.00 3.09 0.00 -2.00 -1.82 103.07 108.63 2h57 h GLY 74 Ca -0.51 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 46.59 2h57 h GLY 74 CO 0.63 -0.10 -0.01 0.07 0.00 0.00 0.00 176.54 177.14 2h57 h ARG 75 N 0.57 0.00 -0.01 4.80 0.11 -1.99 -2.62 114.38 115.25 2h57 h ARG 75 Ca 0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.57 2h57 h ARG 75 Cb 0.76 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.84 2h57 h ARG 75 CO -0.40 0.01 -0.20 0.66 0.10 0.00 0.00 179.97 180.13 2h57 n TYR 76 N -3.21 0.00 0.29 4.08 0.53 -0.71 -4.62 117.16 113.53 2h57 n TYR 76 Ca -0.03 0.00 0.17 0.00 -1.02 0.00 0.00 57.90 57.02 2h57 n TYR 76 Cb 0.11 0.00 0.90 0.00 -1.03 0.00 0.00 39.34 39.32 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 1.80 0.00 -0.50 -0.72 3.08 -1.20 -1.90 114.38 114.94 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 0.48 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 2h57 h ARG 77 CO 0.00 0.05 0.34 -2.95 -1.07 0.00 0.00 179.97 176.33 2h57 h ASN 78 N 0.00 0.33 0.50 7.04 -1.07 -1.82 -2.58 115.58 117.99 2h57 h ASN 78 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 56.31 2h57 h ASN 78 Cb 0.21 -0.07 -0.01 0.00 -2.07 0.00 0.00 38.32 36.38 2h57 h ASN 78 CO 0.01 0.21 -0.30 -0.07 0.07 0.00 0.00 177.43 177.35 2h57 h LEU 79 N 0.38 0.00 -0.43 6.14 3.38 -1.69 -3.27 115.31 119.82 2h57 h LEU 79 Ca 0.22 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.28 2h57 h LEU 79 Cb 0.39 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 2h57 h LEU 79 CO -0.06 0.30 -0.25 -0.50 0.09 0.00 0.00 178.44 178.02 2h57 h TRP 80 N 0.00 -0.65 0.00 1.13 4.06 -1.61 -2.02 115.95 116.86 2h57 h TRP 80 Ca -0.00 0.05 0.00 0.00 2.06 0.00 0.00 58.89 61.00 2h57 h TRP 80 Cb 0.63 0.35 0.00 0.00 -1.00 0.00 0.00 29.16 29.14 2h57 h TRP 80 CO 0.00 -0.33 0.00 1.05 -3.56 0.00 0.00 178.44 175.60 2h57 h GLU 81 N -0.17 0.00 -0.54 0.49 4.11 -1.76 -2.15 114.58 114.56 2h57 h GLU 81 Ca 0.20 0.00 0.14 0.00 0.07 0.00 0.00 59.36 59.77 2h57 h GLU 81 Cb 0.48 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2h57 h GLU 81 CO -0.53 0.00 0.38 0.45 0.07 0.00 0.00 179.01 179.38 2h57 h HIS 82 N 0.00 0.13 -0.31 2.06 3.86 -1.54 -2.88 115.15 116.46 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 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.82 2h57 h HIS 82 CO 0.00 0.05 0.00 0.66 0.86 0.00 0.00 177.93 179.50 2h57 n TYR 83 N -4.41 0.45 -0.19 2.45 4.02 -0.81 -4.65 117.16 114.01 2h57 n TYR 83 Ca 0.10 -0.52 -0.08 0.00 -0.01 0.00 0.00 57.90 57.39 2h57 n TYR 83 Cb 0.54 -0.04 0.02 0.00 -0.02 0.00 0.00 39.34 39.84 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 1.84 0.78 -0.64 -0.72 0.05 -1.56 -2.50 116.97 114.22 2h57 h TYR 84 Ca 0.00 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 2h57 h TYR 84 Cb 0.75 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 2h57 h TYR 84 CO 0.22 0.61 0.30 0.87 -1.05 0.00 0.00 178.16 179.11 2h57 h LYS 85 N 0.72 0.90 -0.00 4.88 1.57 -1.80 -2.90 116.57 119.93 2h57 h LYS 85 Ca 0.18 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2h57 h LYS 85 Cb 0.12 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2h57 h LYS 85 CO -0.02 0.71 -0.29 -0.85 -0.57 0.00 0.00 179.45 178.43 2h57 n GLU 86 N -4.34 0.54 -2.39 3.15 0.28 -1.12 -4.86 120.64 111.89 2h57 n GLU 86 Ca 0.06 -0.29 -0.42 0.00 -0.16 0.00 0.00 57.16 56.35 2h57 n GLU 86 Cb 0.14 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 31.48 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 -2.66 2.35 0.00 -1.84 0.00 -0.96 -4.65 107.32 99.57 2h57 s GLY 87 Ca 0.21 0.88 0.20 0.00 0.00 0.00 0.00 44.72 46.00 2h57 s GLY 87 CO 0.56 2.08 1.20 -1.06 0.00 0.00 0.00 173.10 175.88 2h57 n GLN 88 N 3.96 1.98 -3.59 2.90 6.02 0.30 -4.99 117.38 123.96 2h57 n GLN 88 Ca 0.09 -1.86 -0.05 0.00 -0.01 0.00 0.00 57.00 55.17 2h57 n GLN 88 Cb 0.46 -1.40 -0.03 0.00 1.02 0.00 0.00 30.24 30.29 2h57 n GLN 88 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2h57 s ALA 89 N -1.53 -2.03 -0.06 -1.58 0.00 -1.23 -4.39 121.76 110.93 2h57 s ALA 89 Ca 0.27 1.58 0.02 0.00 0.00 0.00 0.00 51.96 53.83 2h57 s ALA 89 Cb 0.18 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.96 2h57 s ALA 89 CO 0.26 -0.51 -0.10 0.42 0.00 0.00 0.00 175.76 175.83 2h57 s ILE 90 N -2.09 0.94 -0.36 0.00 1.01 -0.45 -1.87 121.20 118.38 2h57 s ILE 90 Ca 0.07 -0.36 -0.10 0.00 0.00 0.00 0.00 60.65 60.26 2h57 s ILE 90 Cb -0.01 -0.89 0.02 0.00 0.01 0.00 0.00 42.46 41.60 2h57 s ILE 90 CO -0.05 0.31 0.19 -0.63 0.00 0.00 0.00 174.94 174.77 2h57 s ILE 91 N 0.80 4.51 -0.28 2.92 1.01 0.39 -0.47 121.20 130.08 2h57 s ILE 91 Ca -0.12 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 59.65 2h57 s ILE 91 Cb -0.15 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.84 2h57 s ILE 91 CO 0.02 -0.19 0.04 0.12 0.00 0.00 0.00 174.94 174.93 2h57 s PHE 92 N 1.55 3.11 -0.18 3.97 2.19 0.54 -0.78 117.98 128.39 2h57 s PHE 92 Ca 0.02 -1.06 -0.08 0.00 0.33 0.00 0.00 56.93 56.15 2h57 s PHE 92 Cb -0.19 -2.20 -0.04 0.00 -1.31 0.00 0.00 43.02 39.28 2h57 s PHE 92 CO 0.06 -0.59 0.08 0.08 1.83 0.00 0.00 175.22 176.68 2h57 s VAL 93 N 1.47 4.95 -0.09 3.12 1.01 0.11 -1.50 120.40 129.47 2h57 s VAL 93 Ca 0.03 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.05 2h57 s VAL 93 Cb -0.17 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 2h57 s VAL 93 CO 0.01 0.47 -0.18 -0.63 0.00 0.00 0.00 175.10 174.77 2h57 s ILE 94 N 0.24 2.67 -0.55 2.22 -1.09 0.39 -4.17 121.20 120.92 2h57 s ILE 94 Ca 0.05 -0.82 -0.28 0.00 -2.23 0.00 0.00 60.65 57.37 2h57 s ILE 94 Cb -0.12 -2.06 0.01 0.00 -1.58 0.00 0.00 42.46 38.71 2h57 s ILE 94 CO -0.00 0.55 1.41 -0.62 -1.23 0.00 0.00 174.94 175.05 2h57 s ASP 95 N -0.00 6.16 0.49 3.58 2.15 -1.26 -0.04 116.67 127.74 2h57 s ASP 95 Ca -0.06 0.33 0.21 0.00 0.43 0.00 0.00 52.55 53.47 2h57 s ASP 95 Cb -0.15 -2.55 1.24 0.00 -0.30 0.00 0.00 42.92 41.17 2h57 s ASP 95 CO 0.05 -1.68 2.04 0.28 -0.17 0.00 0.00 175.17 175.69 2h57 h SER 96 N 10.99 0.00 0.95 -0.34 0.02 -0.99 -2.61 113.55 121.57 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 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2h57 h SER 96 CO 1.17 0.15 -0.14 -1.54 -1.14 0.00 0.00 176.83 175.33 2h57 n SER 97 N -3.98 0.24 -4.19 3.07 3.41 -1.26 -1.37 113.62 109.54 2h57 n SER 97 Ca -0.02 0.33 -0.40 0.00 -0.26 0.00 0.00 58.87 58.52 2h57 n SER 97 Cb 0.24 -0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 63.78 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 -3.26 5.95 0.18 4.04 -1.08 -0.99 -4.80 116.67 116.72 2h57 s ASP 98 Ca 0.13 -2.97 -0.10 0.00 -0.52 0.00 0.00 52.55 49.08 2h57 s ASP 98 Cb 0.18 -2.00 0.09 0.00 -1.46 0.00 0.00 42.92 39.73 2h57 s ASP 98 CO 0.58 -0.40 1.72 0.03 0.52 0.00 0.00 175.17 177.62 2h57 h ARG 99 N 7.10 1.01 -0.99 4.34 3.08 -1.84 -3.20 114.38 123.88 2h57 h ARG 99 Ca 0.06 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 59.91 2h57 h ARG 99 Cb 0.96 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.81 2h57 h ARG 99 CO 0.76 0.89 0.66 -0.07 -1.07 0.00 0.00 179.97 181.14 2h57 h LEU 100 N 0.95 1.14 -0.04 3.04 3.38 -1.98 -2.54 115.31 119.25 2h57 h LEU 100 Ca 0.21 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2h57 h LEU 100 Cb 0.30 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2h57 h LEU 100 CO -0.01 0.82 -0.01 0.54 0.09 0.00 0.00 178.44 179.87 2h57 n ARG 101 N -4.39 0.75 -0.22 1.13 1.74 -1.21 -3.50 116.66 110.97 2h57 n ARG 101 Ca 0.12 -0.04 -0.01 0.00 -0.77 0.00 0.00 57.85 57.14 2h57 n ARG 101 Cb 0.02 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.16 2h57 n ARG 101 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 2h57 h MET 102 N 0.11 1.00 -0.44 5.56 2.86 -1.51 0.16 114.93 122.67 2h57 h MET 102 Ca 0.00 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 2h57 h MET 102 Cb 0.16 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 2h57 h MET 102 CO 0.00 0.74 0.08 -0.24 1.06 0.00 0.00 176.91 178.55 2h57 h VAL 103 N 1.01 1.21 -0.17 -2.22 3.04 -1.75 0.63 116.25 118.00 2h57 h VAL 103 Ca 0.26 -0.78 -0.11 0.00 -1.01 0.00 0.00 66.70 65.06 2h57 h VAL 103 Cb 0.03 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 30.10 2h57 h VAL 103 CO -0.04 0.28 -0.31 0.58 -1.01 0.00 0.00 177.57 177.07 2h57 h VAL 104 N 0.66 1.35 -0.75 1.51 2.07 -1.23 -2.30 116.25 117.56 2h57 h VAL 104 Ca 0.14 -1.55 0.03 0.00 0.82 0.00 0.00 66.70 66.14 2h57 h VAL 104 Cb 0.30 1.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 2h57 h VAL 104 CO 0.00 0.47 0.48 0.00 0.02 0.00 0.00 177.57 178.54 2h57 h ALA 105 N 0.58 0.98 -0.45 1.67 0.00 -0.58 -2.21 119.26 119.24 2h57 h ALA 105 Ca 0.01 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2h57 h ALA 105 Cb 0.90 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2h57 h ALA 105 CO 0.07 0.28 0.20 -0.22 0.00 0.00 0.00 179.25 179.58 2h57 h LYS 106 N 0.94 0.39 -0.42 0.00 3.64 -0.79 -0.38 116.57 119.96 2h57 h LYS 106 Ca 0.30 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.70 2h57 h LYS 106 Cb -0.00 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 2h57 h LYS 106 CO -0.10 0.26 0.16 1.49 -2.27 0.00 0.00 179.45 178.99 2h57 h GLU 107 N 0.40 0.33 -0.47 1.90 4.57 -0.99 -0.64 114.58 119.68 2h57 h GLU 107 Ca 0.20 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.28 2h57 h GLU 107 Cb 0.15 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 2h57 h GLU 107 CO -0.17 0.22 -0.05 0.93 -1.18 0.00 0.00 179.01 178.76 2h57 h GLU 108 N 0.34 0.82 -0.39 1.92 4.39 -1.15 -1.57 114.58 118.93 2h57 h GLU 108 Ca 0.19 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 2h57 h GLU 108 Cb 0.16 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2h57 h GLU 108 CO -0.18 0.86 0.09 1.25 -1.16 0.00 0.00 179.01 179.87 2h57 h LEU 109 N 0.75 0.60 -0.74 1.33 5.85 -0.48 -1.19 115.31 121.43 2h57 h LEU 109 Ca 0.14 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 2h57 h LEU 109 Cb 0.53 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 2h57 h LEU 109 CO 0.03 0.68 0.18 0.44 -0.34 0.00 0.00 178.44 179.43 2h57 h ASP 110 N 0.50 1.07 -0.59 1.25 3.32 -1.01 0.22 116.42 121.17 2h57 h ASP 110 Ca 0.12 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 2h57 h ASP 110 Cb 0.32 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2h57 h ASP 110 CO 0.00 1.02 0.10 0.74 -1.72 0.00 0.00 179.24 179.38 2h57 h THR 111 N 1.08 1.26 0.24 0.35 2.02 -1.25 -1.48 112.91 115.13 2h57 h THR 111 Ca 0.23 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 2h57 h THR 111 Cb 0.36 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2h57 h THR 111 CO 0.00 0.36 -0.12 0.25 0.37 0.00 0.00 175.52 176.38 2h57 h LEU 112 N 0.87 -0.27 -1.78 2.58 5.85 -0.90 -2.34 115.31 119.32 2h57 h LEU 112 Ca 0.18 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2h57 h LEU 112 Cb 0.41 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 2h57 h LEU 112 CO 0.01 -0.04 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.90 2h57 h LEU 113 N -0.50 0.01 0.00 2.25 3.38 -0.54 -2.51 115.31 117.40 2h57 h LEU 113 Ca -0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2h57 h LEU 113 Cb 0.37 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2h57 h LEU 113 CO 0.05 0.12 -0.50 -1.13 0.09 0.00 0.00 178.44 177.07 2h57 h ASN 114 N 0.01 0.00 -2.73 -0.43 -1.24 -1.25 -3.31 115.58 106.64 2h57 h ASN 114 Ca 0.00 -0.09 -0.59 0.00 0.71 0.00 0.00 56.30 56.33 2h57 h ASN 114 Cb 0.19 0.00 0.10 0.00 0.73 0.00 0.00 38.32 39.34 2h57 h ASN 114 CO 0.01 0.04 0.33 1.57 -1.29 0.00 0.00 177.43 178.10 2h57 n HIS 115 N -2.44 1.73 -0.17 0.67 -0.00 -0.89 -4.54 115.22 109.58 2h57 n HIS 115 Ca 0.03 0.62 0.26 0.00 0.46 0.00 0.00 57.72 59.09 2h57 n HIS 115 Cb 0.48 -2.34 0.69 0.00 -0.12 0.00 0.00 29.99 28.70 2h57 n HIS 115 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2h57 h PRO 116 N 2.60 0.06 -0.01 1.57 0.11 -1.92 0.22 132.00 134.63 2h57 h PRO 116 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2h57 h PRO 116 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2h57 h PRO 116 CO 0.64 0.04 -0.15 -0.25 -0.21 0.00 0.00 178.00 178.07 2h57 n ASP 117 N -4.32 1.26 -0.02 -2.05 8.00 -1.26 -4.24 116.55 113.92 2h57 n ASP 117 Ca 0.18 -1.16 -0.03 0.00 0.71 0.00 0.00 54.79 54.48 2h57 n ASP 117 Cb 0.89 0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 42.05 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 -0.27 0.28 -0.28 0.53 2.08 -0.31 -4.55 119.36 116.84 2h57 n ILE 118 Ca 0.15 -0.10 0.17 0.00 0.56 0.00 0.00 62.75 63.53 2h57 n ILE 118 Cb 0.36 -0.70 0.45 0.00 -0.75 0.00 0.00 39.64 39.00 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 -0.01 0.50 -0.26 0.38 3.64 -0.72 -2.75 116.57 117.36 2h57 h LYS 119 Ca -0.11 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.16 2h57 h LYS 119 Cb 1.17 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.83 2h57 h LYS 119 CO -0.02 0.33 -0.05 0.72 -2.27 0.00 0.00 179.45 178.16 2h57 n HIS 120 N -4.58 0.85 -4.30 1.91 8.25 -1.26 -4.97 115.22 111.13 2h57 n HIS 120 Ca 0.20 -1.23 -0.23 0.00 -0.26 0.00 0.00 57.72 56.20 2h57 n HIS 120 Cb 0.66 -0.37 -0.13 0.00 1.12 0.00 0.00 29.99 31.27 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 -3.03 1.10 -0.85 -0.41 0.52 -1.04 -5.06 118.95 110.18 2h57 s ARG 121 Ca 0.42 -1.11 -0.02 0.00 -0.52 0.00 0.00 55.73 54.49 2h57 s ARG 121 Cb 0.36 -1.32 0.26 0.00 0.52 0.00 0.00 34.95 34.78 2h57 s ARG 121 CO 0.04 0.31 2.18 0.54 0.02 0.00 0.00 175.30 178.38 2h57 n ARG 122 N 1.18 3.42 -2.72 3.54 1.74 -1.26 -4.86 116.66 117.70 2h57 n ARG 122 Ca -0.20 -3.51 -0.41 0.00 -0.77 0.00 0.00 57.85 52.96 2h57 n ARG 122 Cb 0.54 -2.32 -0.04 0.00 -1.02 0.00 0.00 32.46 29.62 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 -3.95 4.66 0.36 0.55 -4.36 -1.26 -4.70 121.20 112.49 2h57 s ILE 123 Ca 0.51 2.07 -0.27 0.00 -0.26 0.00 0.00 60.65 62.69 2h57 s ILE 123 Cb 0.35 -4.32 -0.09 0.00 1.25 0.00 0.00 42.46 39.65 2h57 s ILE 123 CO -0.29 0.25 1.21 -2.16 0.24 0.00 0.00 174.94 174.19 2h57 s PRO 124 N 0.45 4.25 -0.24 0.37 0.04 -1.26 -4.51 135.00 134.09 2h57 s PRO 124 Ca 0.49 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2h57 s PRO 124 Cb -0.22 -2.90 0.04 0.00 0.04 0.00 0.00 34.50 31.45 2h57 s PRO 124 CO 0.29 -0.19 -0.10 0.42 0.04 0.00 0.00 177.00 177.46 2h57 s ILE 125 N -1.27 2.48 -0.17 0.56 1.01 -0.67 -1.34 121.20 121.81 2h57 s ILE 125 Ca 0.52 -1.25 -0.20 0.00 0.00 0.00 0.00 60.65 59.71 2h57 s ILE 125 Cb -0.34 -2.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 2h57 s ILE 125 CO 0.44 0.16 0.60 -0.22 0.00 0.00 0.00 174.94 175.92 2h57 s LEU 126 N 1.23 4.19 -0.12 2.97 2.96 0.38 -2.31 118.68 127.99 2h57 s LEU 126 Ca -0.03 0.85 -0.04 0.00 -0.22 0.00 0.00 54.13 54.70 2h57 s LEU 126 Cb -0.17 -2.86 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 2h57 s LEU 126 CO -0.06 -0.19 0.02 -0.36 -1.32 0.00 0.00 176.35 174.43 2h57 s PHE 127 N 1.51 3.19 -0.19 5.38 0.40 0.71 -0.34 117.98 128.65 2h57 s PHE 127 Ca 0.29 0.13 -0.01 0.00 -0.60 0.00 0.00 56.93 56.73 2h57 s PHE 127 Cb -0.16 -1.88 0.00 0.00 0.51 0.00 0.00 43.02 41.50 2h57 s PHE 127 CO 0.11 0.36 -0.12 -0.06 0.70 0.00 0.00 175.22 176.21 2h57 s PHE 128 N -0.49 2.85 -0.97 0.36 0.40 -0.56 -1.42 117.98 118.17 2h57 s PHE 128 Ca 0.09 -1.19 -0.18 0.00 -0.60 0.00 0.00 56.93 55.05 2h57 s PHE 128 Cb -0.12 -1.99 0.13 0.00 0.51 0.00 0.00 43.02 41.56 2h57 s PHE 128 CO 0.02 -0.61 1.18 0.00 0.70 0.00 0.00 175.22 176.51 2h57 s ALA 129 N 1.23 3.41 0.62 5.36 0.00 0.91 -0.46 121.76 132.84 2h57 s ALA 129 Ca 0.03 -2.82 -0.02 0.00 0.00 0.00 0.00 51.96 49.15 2h57 s ALA 129 Cb -0.14 -4.08 0.05 0.00 0.00 0.00 0.00 23.12 18.95 2h57 s ALA 129 CO -0.06 -2.98 0.88 1.21 0.00 0.00 0.00 175.76 174.80 2h57 s ASN 130 N 3.60 5.05 -1.47 0.00 2.47 0.94 -1.51 114.94 124.01 2h57 s ASN 130 Ca 0.34 0.14 -0.02 0.00 0.42 0.00 0.00 52.86 53.74 2h57 s ASN 130 Cb -0.04 -0.90 0.00 0.00 -1.45 0.00 0.00 41.25 38.86 2h57 s ASN 130 CO -0.08 -1.36 0.25 0.29 -3.72 0.00 0.00 177.10 172.48 2h57 n LYS 131 N -2.59 -2.76 0.23 0.43 5.02 -0.61 -0.39 118.16 117.48 2h57 n LYS 131 Ca 0.08 0.85 0.18 0.00 -2.02 0.00 0.00 58.31 57.40 2h57 n LYS 131 Cb 0.60 -5.41 0.86 0.00 -0.02 0.00 0.00 35.03 31.06 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 -0.56 0.00 0.00 1.97 -0.00 -1.36 -2.23 114.93 112.75 2h57 h MET 132 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.25 2h57 h MET 132 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.92 2h57 h MET 132 CO 0.51 0.00 0.00 -0.40 -0.00 0.00 0.00 176.91 177.02 2h57 n ASP 133 N -3.64 0.33 -4.86 -0.10 5.75 -1.26 -4.73 116.55 108.04 2h57 n ASP 133 Ca 0.01 0.57 -0.31 0.00 -0.01 0.00 0.00 54.79 55.04 2h57 n ASP 133 Cb 0.32 -0.64 -0.03 0.00 -1.03 0.00 0.00 41.12 39.73 2h57 n ASP 133 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2h57 s LEU 134 N -3.70 3.71 0.30 -2.12 1.43 -0.84 -5.00 118.68 112.47 2h57 s LEU 134 Ca 0.08 1.37 -0.30 0.00 -1.03 0.00 0.00 54.13 54.25 2h57 s LEU 134 Cb 0.11 -4.28 -0.12 0.00 0.03 0.00 0.00 46.19 41.93 2h57 s LEU 134 CO 0.39 -0.50 1.46 -2.11 0.23 0.00 0.00 176.35 175.82 2h57 n ARG 135 N -1.46 2.38 -1.01 1.70 -4.01 -1.26 -2.49 116.66 110.52 2h57 n ARG 135 Ca 0.05 0.84 -0.00 0.00 -1.04 0.00 0.00 57.85 57.70 2h57 n ARG 135 Cb 0.54 -2.54 -0.00 0.00 -3.04 0.00 0.00 32.46 27.42 2h57 n ARG 135 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 2h57 n ASP 136 N 1.61 -3.57 -4.67 2.89 8.00 -1.26 -4.91 116.55 114.64 2h57 n ASP 136 Ca 0.07 0.01 -0.42 0.00 0.71 0.00 0.00 54.79 55.16 2h57 n ASP 136 Cb 0.35 -1.10 -0.03 0.00 -0.02 0.00 0.00 41.12 40.33 2h57 n ASP 136 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2h57 n ALA 137 N 1.01 1.87 -1.76 2.24 0.00 -1.04 -4.71 120.51 118.11 2h57 n ALA 137 Ca -0.00 0.26 -0.39 0.00 0.00 0.00 0.00 53.44 53.31 2h57 n ALA 137 Cb 0.10 -2.64 0.01 0.00 0.00 0.00 0.00 19.45 16.92 2h57 n ALA 137 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2h57 s VAL 138 N 3.67 2.36 0.75 0.00 1.01 -0.47 -4.95 120.40 122.77 2h57 s VAL 138 Ca 0.86 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 63.03 2h57 s VAL 138 Cb -0.46 -3.17 0.04 0.00 0.00 0.00 0.00 36.38 32.79 2h57 s VAL 138 CO 0.40 0.03 1.08 0.42 0.00 0.00 0.00 175.10 177.03 2h57 s THR 139 N -1.28 3.51 0.31 3.92 -4.23 -1.26 -4.85 115.64 111.76 2h57 s THR 139 Ca 0.62 0.49 0.00 0.00 -1.18 0.00 0.00 61.69 61.62 2h57 s THR 139 Cb -0.40 -3.19 0.18 0.00 1.34 0.00 0.00 72.50 70.44 2h57 s THR 139 CO 0.50 -0.64 1.88 0.77 -0.54 0.00 0.00 174.62 176.59 2h57 h SER 140 N -0.95 0.72 -0.61 3.99 4.64 -1.95 -0.98 113.55 118.42 2h57 h SER 140 Ca -0.45 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 60.76 2h57 h SER 140 Cb 1.24 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 63.11 2h57 h SER 140 CO 0.57 0.67 0.35 0.58 -0.87 0.00 0.00 176.83 178.13 2h57 h VAL 141 N 0.78 1.19 -0.23 0.95 2.07 -1.97 -1.54 116.25 117.49 2h57 h VAL 141 Ca 0.18 -0.45 -0.15 0.00 0.82 0.00 0.00 66.70 67.10 2h57 h VAL 141 Cb 0.20 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2h57 h VAL 141 CO -0.01 0.20 -0.44 0.50 0.02 0.00 0.00 177.57 177.84 2h57 h LYS 142 N 0.83 0.71 -0.46 1.57 1.63 -1.84 -0.92 116.57 118.09 2h57 h LYS 142 Ca 0.22 -0.45 0.09 0.00 -0.85 0.00 0.00 60.65 59.65 2h57 h LYS 142 Cb 0.01 0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 31.62 2h57 h LYS 142 CO -0.04 1.07 0.00 0.28 -3.45 0.00 0.00 179.45 177.32 2h57 h VAL 143 N 0.43 0.65 -0.60 2.00 2.07 -1.15 0.16 116.25 119.80 2h57 h VAL 143 Ca 0.01 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 2h57 h VAL 143 Cb 1.04 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2h57 h VAL 143 CO 0.10 0.02 0.22 -1.28 0.02 0.00 0.00 177.57 176.65 2h57 h SER 144 N 0.11 0.82 0.04 0.57 0.87 -1.05 -1.44 113.55 113.47 2h57 h SER 144 Ca 0.23 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2h57 h SER 144 Cb 0.33 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2h57 h SER 144 CO -0.38 0.74 -0.02 1.56 -0.53 0.00 0.00 176.83 178.21 2h57 h GLN 145 N 0.87 -0.06 -0.77 2.24 4.20 -0.45 -1.32 115.11 119.83 2h57 h GLN 145 Ca 0.20 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.99 2h57 h GLN 145 Cb 0.20 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.94 2h57 h GLN 145 CO -0.02 0.23 0.50 -0.07 -0.67 0.00 0.00 178.83 178.81 2h57 h LEU 146 N -0.35 0.70 -0.75 1.46 3.38 -0.31 -0.97 115.31 118.47 2h57 h LEU 146 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2h57 h LEU 146 Cb 0.32 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2h57 h LEU 146 CO 0.01 0.44 -0.20 0.18 0.09 0.00 0.00 178.44 178.97 2h57 n LEU 147 N -4.49 1.36 -3.70 1.67 4.77 -0.58 -4.96 117.00 111.08 2h57 n LEU 147 Ca 0.12 -0.41 -0.24 0.00 -0.03 0.00 0.00 56.01 55.44 2h57 n LEU 147 Cb 0.24 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.32 2h57 n LEU 147 CO 0.33 0.24 0.10 0.00 -1.33 0.00 0.00 177.39 176.73 2h57 h LEU 149 N -2.16 0.00 -2.40 0.00 3.38 -1.51 -1.40 115.31 111.22 2h57 h LEU 149 Ca -0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2h57 h LEU 149 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2h57 h LEU 149 CO 0.59 0.06 0.00 -0.33 0.09 0.00 0.00 178.44 178.84 2h57 h GLU 150 N 0.00 0.00 0.00 1.13 3.07 -1.91 -1.47 114.58 115.41 2h57 h GLU 150 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2h57 h GLU 150 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 2h57 h GLU 150 CO 0.01 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.71 2h57 n ASN 151 N -2.93 0.00 -4.60 1.42 3.02 -0.52 -4.59 115.26 107.05 2h57 n ASN 151 Ca -0.02 0.25 -0.43 0.00 -0.03 0.00 0.00 54.58 54.35 2h57 n ASN 151 Cb 0.12 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 38.85 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 -2.82 4.23 -0.01 2.41 1.01 -0.55 -4.87 121.20 120.60 2h57 s ILE 152 Ca 0.18 1.23 0.01 0.00 0.00 0.00 0.00 60.65 62.07 2h57 s ILE 152 Cb 0.17 -4.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.04 2h57 s ILE 152 CO 0.44 -0.98 0.01 0.29 0.00 0.00 0.00 174.94 174.70 2h57 n LYS 153 N 7.76 3.32 -0.72 2.79 5.02 -1.26 -4.71 118.16 130.36 2h57 n LYS 153 Ca 0.12 -0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.48 2h57 n LYS 153 Cb 0.49 -1.04 0.36 0.00 -0.02 0.00 0.00 35.03 34.82 2h57 n LYS 153 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2h57 n ASP 154 N -1.99 4.98 -3.90 4.39 10.43 -1.26 -4.88 116.55 124.32 2h57 n ASP 154 Ca -0.02 -2.66 -0.13 0.00 2.57 0.00 0.00 54.79 54.55 2h57 n ASP 154 Cb 0.48 -0.62 -0.14 0.00 1.84 0.00 0.00 41.12 42.68 2h57 n ASP 154 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2h57 s LYS 155 N -2.27 0.13 0.34 -1.24 1.02 -1.26 -4.54 119.74 111.93 2h57 s LYS 155 Ca 0.49 -0.10 -0.28 0.00 0.02 0.00 0.00 55.97 56.10 2h57 s LYS 155 Cb 0.35 -0.09 -0.10 0.00 -0.52 0.00 0.00 37.83 37.47 2h57 s LYS 155 CO 0.18 0.02 1.28 -1.25 -0.92 0.00 0.00 175.35 174.67 2h57 s PRO 156 N -0.17 4.30 0.03 -1.68 0.04 -1.26 -4.95 135.00 131.31 2h57 s PRO 156 Ca -0.01 2.15 -0.10 0.00 0.04 0.00 0.00 61.00 63.09 2h57 s PRO 156 Cb -0.01 -3.01 0.01 0.00 0.04 0.00 0.00 34.50 31.52 2h57 s PRO 156 CO -0.00 -0.21 0.20 1.67 0.04 0.00 0.00 177.00 178.71 2h57 s TRP 157 N -1.18 0.02 -0.06 0.56 1.48 -1.26 -1.68 118.94 116.83 2h57 s TRP 157 Ca 0.50 -0.19 -0.17 0.00 -1.06 0.00 0.00 56.10 55.19 2h57 s TRP 157 Cb -0.38 -0.01 0.03 0.00 -1.16 0.00 0.00 33.47 31.95 2h57 s TRP 157 CO 0.51 -0.41 0.38 -1.58 -4.06 0.00 0.00 176.95 171.79 2h57 s HIS 158 N -2.27 -0.31 -0.03 1.66 2.46 -0.98 -4.99 115.29 110.83 2h57 s HIS 158 Ca -0.07 0.59 0.06 0.00 0.47 0.00 0.00 55.06 56.11 2h57 s HIS 158 Cb -0.02 0.15 -0.01 0.00 -0.13 0.00 0.00 32.58 32.56 2h57 s HIS 158 CO -0.02 -0.37 -0.22 -1.50 -2.47 0.00 0.00 174.74 170.16 2h57 s ILE 159 N -0.90 1.75 -0.04 0.89 2.07 -1.26 -0.20 121.20 123.51 2h57 s ILE 159 Ca -0.10 -0.93 0.05 0.00 -1.41 0.00 0.00 60.65 58.26 2h57 s ILE 159 Cb -0.04 -1.47 -0.01 0.00 0.13 0.00 0.00 42.46 41.08 2h57 s ILE 159 CO 0.04 0.50 -0.18 0.00 -1.91 0.00 0.00 174.94 173.38 2h57 s ALA 161 N -0.09 3.03 -0.01 0.00 0.00 -1.26 -0.06 121.76 123.37 2h57 s ALA 161 Ca -0.01 0.95 -0.15 0.00 0.00 0.00 0.00 51.96 52.74 2h57 s ALA 161 Cb -0.11 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.65 2h57 s ALA 161 CO 0.02 -0.62 0.31 -1.54 0.00 0.00 0.00 175.76 173.93 2h57 s SER 162 N -1.29 -0.19 -0.34 0.00 1.04 -0.57 -4.31 113.70 108.04 2h57 s SER 162 Ca 0.62 0.08 0.04 0.00 0.48 0.00 0.00 55.95 57.17 2h57 s SER 162 Cb -0.29 0.31 0.10 0.00 0.10 0.00 0.00 66.02 66.24 2h57 s SER 162 CO 0.36 -0.45 0.05 -0.62 0.98 0.00 0.00 173.24 173.55 2h57 s ASP 163 N -1.34 4.73 0.48 7.02 -1.08 -0.85 -1.27 116.67 124.35 2h57 s ASP 163 Ca -0.13 -2.12 0.30 0.00 -0.52 0.00 0.00 52.55 50.08 2h57 s ASP 163 Cb -0.05 -1.60 1.06 0.00 -1.46 0.00 0.00 42.92 40.87 2h57 s ASP 163 CO 0.04 -0.38 1.86 0.00 0.52 0.00 0.00 175.17 177.21 2h57 h ALA 164 N 7.63 1.00 -0.00 3.66 0.00 -1.93 0.31 119.26 129.93 2h57 h ALA 164 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 2h57 h ALA 164 Cb 1.02 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.83 2h57 h ALA 164 CO 0.52 0.00 -0.75 0.82 0.00 0.00 0.00 179.25 179.84 2h57 h ILE 165 N 0.00 1.38 0.00 0.00 2.04 -1.95 -3.30 117.51 115.68 2h57 h ILE 165 Ca 0.00 -2.13 -0.02 0.00 1.00 0.00 0.00 64.86 63.71 2h57 h ILE 165 Cb 0.62 2.52 -0.00 0.00 -0.74 0.00 0.00 36.82 39.21 2h57 h ILE 165 CO 0.00 0.63 -0.80 0.11 0.00 0.00 0.00 178.15 178.09 2h57 h LYS 166 N 0.07 0.00 0.00 2.37 1.57 -1.98 -3.48 116.57 115.12 2h57 h LYS 166 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2h57 h LYS 166 Cb 1.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.75 2h57 h LYS 166 CO 0.15 0.05 0.00 0.41 -0.57 0.00 0.00 179.45 179.48 2h57 n GLY 167 N 1.18 0.81 3.72 3.86 0.00 0.10 -5.03 105.19 109.84 2h57 n GLY 167 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2h57 n GLY 167 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h57 s GLU 168 N -0.68 4.45 0.00 1.61 2.02 -0.83 -3.14 118.70 122.13 2h57 s GLU 168 Ca 0.00 1.79 0.00 0.00 0.02 0.00 0.00 54.97 56.78 2h57 s GLU 168 Cb 0.00 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 30.91 2h57 s GLU 168 CO 0.00 -0.22 0.00 0.41 0.02 0.00 0.00 175.26 175.47 2h57 n GLY 169 N 3.03 2.42 0.13 -1.39 0.00 -1.26 -2.01 105.19 106.10 2h57 n GLY 169 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 0.36 -1.07 0.99 3.38 -1.82 -3.04 115.31 114.11 2h57 h LEU 170 Ca 0.00 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 2h57 h LEU 170 Cb 0.00 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2h57 h LEU 170 CO 0.00 0.71 0.40 -0.61 0.09 0.00 0.00 178.44 179.03 2h57 h GLN 171 N 0.01 1.05 -0.34 1.13 5.75 -1.92 -1.92 115.11 118.88 2h57 h GLN 171 Ca 0.03 -0.12 0.04 0.00 -0.15 0.00 0.00 58.65 58.45 2h57 h GLN 171 Cb 0.58 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 28.89 2h57 h GLN 171 CO 0.03 0.78 0.10 1.49 -2.65 0.00 0.00 178.83 178.57 2h57 h GLU 172 N 1.06 0.22 -0.51 1.69 4.57 -1.94 0.51 114.58 120.18 2h57 h GLU 172 Ca 0.27 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.36 2h57 h GLU 172 Cb 0.04 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 2h57 h GLU 172 CO -0.04 0.15 0.04 0.78 -1.18 0.00 0.00 179.01 178.75 2h57 h GLY 173 N 0.23 0.95 0.99 1.92 0.00 -1.36 -1.61 103.07 104.17 2h57 h GLY 173 Ca 0.15 -0.67 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 2h57 h GLY 173 CO -0.18 0.62 0.19 -2.08 0.00 0.00 0.00 176.54 175.09 2h57 h VAL 174 N 0.75 1.23 -0.58 4.60 2.07 -1.15 -0.33 116.25 122.83 2h57 h VAL 174 Ca 0.15 -0.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 2h57 h VAL 174 Cb 0.47 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 2h57 h VAL 174 CO 0.02 0.28 0.02 0.44 0.02 0.00 0.00 177.57 178.35 2h57 h ASP 175 N 0.76 0.96 -0.19 0.57 3.32 -0.84 0.23 116.42 121.22 2h57 h ASP 175 Ca 0.18 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 57.00 2h57 h ASP 175 Cb 0.25 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2h57 h ASP 175 CO -0.01 1.00 0.04 -0.25 -1.72 0.00 0.00 179.24 178.30 2h57 h TRP 176 N 0.91 0.07 -0.34 4.55 7.01 -0.91 -1.61 115.95 125.63 2h57 h TRP 176 Ca 0.17 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.16 2h57 h TRP 176 Cb 0.50 -0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.55 2h57 h TRP 176 CO 0.03 0.02 0.15 1.25 -2.79 0.00 0.00 178.44 177.11 2h57 h LEU 177 N 0.12 0.46 -0.77 0.65 5.85 -0.78 -1.46 115.31 119.39 2h57 h LEU 177 Ca 0.09 -0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.76 2h57 h LEU 177 Cb 0.08 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 40.91 2h57 h LEU 177 CO -0.11 0.49 0.40 -0.61 -0.34 0.00 0.00 178.44 178.26 2h57 h GLN 178 N 0.41 0.63 -0.57 1.25 4.15 -0.41 -1.47 115.11 119.10 2h57 h GLN 178 Ca 0.12 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.39 2h57 h GLN 178 Cb 0.16 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 2h57 h GLN 178 CO -0.01 0.42 -0.05 0.22 -1.93 0.00 0.00 178.83 177.48 2h57 h ASP 179 N 0.65 1.03 -0.17 -0.69 3.58 -1.09 -2.18 116.42 117.55 2h57 h ASP 179 Ca 0.38 -0.33 -0.07 0.00 0.42 0.00 0.00 57.03 57.44 2h57 h ASP 179 Cb 0.42 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 2h57 h ASP 179 CO -0.28 1.11 -0.10 1.56 -2.88 0.00 0.00 179.24 178.65 2h57 h GLN 180 N 0.93 0.52 -0.36 0.28 1.08 -0.65 -3.15 115.11 113.76 2h57 h GLN 180 Ca 0.16 -0.14 -0.13 0.00 -1.45 0.00 0.00 58.65 57.08 2h57 h GLN 180 Cb 0.61 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 2h57 h GLN 180 CO 0.04 0.62 -0.30 0.82 -0.95 0.00 0.00 178.83 179.06 2h57 h ILE 181 N 0.48 1.28 0.00 2.54 2.04 -0.87 -3.49 117.51 119.49 2h57 h ILE 181 Ca 0.09 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.49 2h57 h ILE 181 Cb 0.46 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 2h57 h ILE 181 CO 0.03 0.48 0.00 0.00 0.00 0.00 0.00 178.15 178.66