#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g63 n TYR 2 N 0.00 0.00 0.00 2.03 4.02 -0.34 -4.79 117.16 118.09 1g63 n TYR 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1g63 n TYR 2 Cb 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.13 1g63 n TYR 2 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1g63 n GLY 3 N 1.36 2.38 3.71 2.72 0.00 -1.26 -4.90 105.19 109.19 1g63 n GLY 3 Ca 0.11 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 1g63 n GLY 3 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1g63 n LYS 4 N -0.49 2.69 -5.12 1.61 5.02 -1.26 -3.28 118.16 117.33 1g63 n LYS 4 Ca 0.00 0.97 -0.30 0.00 -2.02 0.00 0.00 58.31 56.96 1g63 n LYS 4 Cb 0.00 -2.81 -0.16 0.00 -0.02 0.00 0.00 35.03 32.04 1g63 n LYS 4 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1g63 s LEU 5 N 1.23 2.02 -0.12 -0.35 0.20 -0.01 -0.94 118.68 120.71 1g63 s LEU 5 Ca 0.76 -0.46 -0.00 0.00 0.69 0.00 0.00 54.13 55.11 1g63 s LEU 5 Cb -0.53 -1.24 -0.02 0.00 -0.43 0.00 0.00 46.19 43.97 1g63 s LEU 5 CO 0.33 0.21 -0.11 -0.22 -0.29 0.00 0.00 176.35 176.27 1g63 s LEU 6 N -0.07 2.85 -0.21 -0.68 2.96 -0.11 -0.97 118.68 122.45 1g63 s LEU 6 Ca -0.05 -0.25 -0.07 0.00 -0.22 0.00 0.00 54.13 53.54 1g63 s LEU 6 Cb -0.13 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1g63 s LEU 6 CO 0.03 0.20 0.06 -0.63 -1.32 0.00 0.00 176.35 174.69 1g63 s ILE 7 N 0.14 4.52 -0.41 6.68 1.01 -0.05 -0.60 121.20 132.49 1g63 s ILE 7 Ca -0.05 -0.12 -0.08 0.00 0.00 0.00 0.00 60.65 60.40 1g63 s ILE 7 Cb -0.15 -3.06 0.08 0.00 0.01 0.00 0.00 42.46 39.34 1g63 s ILE 7 CO 0.04 0.41 0.24 0.00 0.00 0.00 0.00 174.94 175.63 1g63 s ALA 9 N 1.38 3.67 0.41 0.00 0.00 -0.19 -1.31 121.76 125.73 1g63 s ALA 9 Ca 0.03 -0.40 0.07 0.00 0.00 0.00 0.00 51.96 51.67 1g63 s ALA 9 Cb -0.23 -2.32 -0.06 0.00 0.00 0.00 0.00 23.12 20.50 1g63 s ALA 9 CO 0.01 0.31 0.09 0.95 0.00 0.00 0.00 175.76 177.13 1g63 s THR 10 N -0.31 2.19 -0.36 0.00 -4.23 -1.07 -1.39 115.64 110.47 1g63 s THR 10 Ca 0.19 -1.85 -0.02 0.00 -1.18 0.00 0.00 61.69 58.83 1g63 s THR 10 Cb -0.14 -2.99 -0.03 0.00 1.34 0.00 0.00 72.50 70.68 1g63 s THR 10 CO 0.07 -0.01 1.48 0.00 -0.54 0.00 0.00 174.62 175.62 1g63 n ALA 11 N -1.10 2.65 -2.78 3.99 0.00 -1.26 -4.67 120.51 117.34 1g63 n ALA 11 Ca -0.03 -0.85 -0.33 0.00 0.00 0.00 0.00 53.44 52.24 1g63 n ALA 11 Cb 0.66 -2.66 -0.07 0.00 0.00 0.00 0.00 19.45 17.38 1g63 n ALA 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1g63 s SER 12 N 4.05 5.68 0.46 0.00 0.15 -1.26 -4.93 113.70 117.85 1g63 s SER 12 Ca 0.18 0.14 0.21 0.00 0.70 0.00 0.00 55.95 57.18 1g63 s SER 12 Cb 0.05 -1.63 1.21 0.00 -1.71 0.00 0.00 66.02 63.94 1g63 s SER 12 CO -0.01 0.27 1.90 -0.29 1.20 0.00 0.00 173.24 176.30 1g63 h ILE 13 N 3.16 0.68 0.00 6.45 6.09 -1.92 -0.02 117.51 131.95 1g63 h ILE 13 Ca -0.49 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 62.91 1g63 h ILE 13 Cb 1.18 0.40 0.00 0.00 0.47 0.00 0.00 36.82 38.87 1g63 h ILE 13 CO 0.63 0.05 0.00 0.59 -3.07 0.00 0.00 178.15 176.34 1g63 n ASN 14 N -4.43 0.00 0.20 2.19 4.13 -1.26 -2.93 115.26 113.16 1g63 n ASN 14 Ca 0.17 -0.86 0.14 0.00 1.68 0.00 0.00 54.58 55.71 1g63 n ASN 14 Cb 0.71 0.00 0.63 0.00 -1.54 0.00 0.00 39.78 39.58 1g63 n ASN 14 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 1g63 h VAL 15 N 0.00 0.00 0.00 2.41 3.04 -1.26 -1.61 116.25 118.83 1g63 h VAL 15 Ca 0.00 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 1g63 h VAL 15 Cb 0.00 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.35 1g63 h VAL 15 CO 0.00 0.00 0.00 2.30 -1.01 0.00 0.00 177.57 178.86 1g63 n ILE 16 N -2.57 0.83 -0.18 3.17 -5.35 -1.15 -2.21 119.36 111.90 1g63 n ILE 16 Ca 0.01 0.19 0.05 0.00 -0.27 0.00 0.00 62.75 62.73 1g63 n ILE 16 Cb 0.21 -1.01 0.13 0.00 -1.74 0.00 0.00 39.64 37.23 1g63 n ILE 16 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1g63 n ASN 17 N -1.86 2.80 0.27 7.28 5.03 -0.61 -4.67 115.26 123.50 1g63 n ASN 17 Ca 0.03 -2.05 0.14 0.00 0.87 0.00 0.00 54.58 53.57 1g63 n ASN 17 Cb 0.22 -0.21 0.83 0.00 -1.02 0.00 0.00 39.78 39.60 1g63 n ASN 17 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 1g63 h ILE 18 N 1.66 0.65 -0.35 2.41 6.09 -1.48 -2.08 117.51 124.39 1g63 h ILE 18 Ca 0.00 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1g63 h ILE 18 Cb 0.72 0.97 -0.02 0.00 0.47 0.00 0.00 36.82 38.96 1g63 h ILE 18 CO 0.01 0.00 0.22 -0.55 -3.07 0.00 0.00 178.15 174.75 1g63 h ASN 19 N 0.00 0.41 -0.74 2.19 -1.07 -1.83 -2.31 115.58 112.24 1g63 h ASN 19 Ca 0.02 -0.02 -0.03 0.00 0.07 0.00 0.00 56.30 56.34 1g63 h ASN 19 Cb 0.10 -0.10 -0.03 0.00 -2.07 0.00 0.00 38.32 36.22 1g63 h ASN 19 CO -0.00 0.32 0.33 0.45 0.07 0.00 0.00 177.43 178.59 1g63 h HIS 20 N 0.48 1.09 -0.63 4.14 3.86 -1.75 -2.74 115.15 119.61 1g63 h HIS 20 Ca 0.13 -0.07 -0.09 0.00 -1.16 0.00 0.00 60.37 59.18 1g63 h HIS 20 Cb -0.02 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.09 1g63 h HIS 20 CO 0.00 0.82 0.03 1.88 0.86 0.00 0.00 177.93 181.52 1g63 h TYR 21 N 1.04 1.17 0.65 2.45 -1.99 -1.55 -2.93 116.97 115.81 1g63 h TYR 21 Ca 0.25 -0.19 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 1g63 h TYR 21 Cb 0.16 -0.31 -0.01 0.00 2.00 0.00 0.00 36.73 38.57 1g63 h TYR 21 CO 0.01 1.02 -0.51 0.82 -0.00 0.00 0.00 178.16 179.50 1g63 h ILE 22 N 0.99 0.00 -0.79 -2.88 2.04 -1.20 0.20 117.51 115.88 1g63 h ILE 22 Ca 0.18 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.13 1g63 h ILE 22 Cb 0.53 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 1g63 h ILE 22 CO 0.03 0.00 0.51 1.62 0.00 0.00 0.00 178.15 180.31 1g63 h VAL 23 N -1.12 0.98 -0.06 1.67 3.04 -1.57 0.48 116.25 119.67 1g63 h VAL 23 Ca -0.08 -0.26 -0.01 0.00 -1.01 0.00 0.00 66.70 65.33 1g63 h VAL 23 Cb 0.93 0.15 -0.00 0.00 -2.01 0.00 0.00 31.29 30.36 1g63 h VAL 23 CO 0.01 0.14 -0.02 -0.08 -1.01 0.00 0.00 177.57 176.61 1g63 h GLU 24 N 0.76 0.11 0.00 4.17 4.57 -1.28 -3.13 114.58 119.78 1g63 h GLU 24 Ca 0.35 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.46 1g63 h GLU 24 Cb 0.38 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1g63 h GLU 24 CO -0.13 0.47 -0.14 -0.07 -1.18 0.00 0.00 179.01 177.95 1g63 h LEU 25 N -0.25 0.00 -1.33 1.64 3.38 -0.06 -2.91 115.31 115.77 1g63 h LEU 25 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1g63 h LEU 25 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1g63 h LEU 25 CO 0.01 0.14 0.00 0.29 0.09 0.00 0.00 178.44 178.97 1g63 n LYS 26 N -3.40 0.15 0.05 1.13 4.76 0.11 -1.53 118.16 119.43 1g63 n LYS 26 Ca -0.01 0.61 0.12 0.00 -2.87 0.00 0.00 58.31 56.16 1g63 n LYS 26 Cb 0.33 -1.95 0.18 0.00 -1.84 0.00 0.00 35.03 31.74 1g63 n LYS 26 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1g63 n GLN 27 N -2.26 0.26 -0.00 1.97 6.02 -1.10 -4.27 117.38 117.99 1g63 n GLN 27 Ca -0.01 0.07 0.03 0.00 -0.01 0.00 0.00 57.00 57.08 1g63 n GLN 27 Cb 0.07 -1.66 -0.05 0.00 1.02 0.00 0.00 30.24 29.62 1g63 n GLN 27 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1g63 n HIS 28 N -2.03 0.00 -5.12 1.08 8.25 -0.58 -4.91 115.22 111.92 1g63 n HIS 28 Ca 0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.20 1g63 n HIS 28 Cb 0.43 -0.12 -0.16 0.00 1.12 0.00 0.00 29.99 31.25 1g63 n HIS 28 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1g63 s PHE 29 N -2.29 2.10 0.30 4.41 0.40 -0.94 -1.19 117.98 120.76 1g63 s PHE 29 Ca -0.01 -0.50 0.01 0.00 -0.60 0.00 0.00 56.93 55.82 1g63 s PHE 29 Cb 0.04 -1.37 0.71 0.00 0.51 0.00 0.00 43.02 42.91 1g63 s PHE 29 CO 0.28 -0.11 1.60 -0.44 0.70 0.00 0.00 175.22 177.24 1g63 h ASP 30 N 5.83 -0.35 -5.04 1.36 3.45 -1.86 -3.41 116.42 116.41 1g63 h ASP 30 Ca -0.37 0.25 -0.14 0.00 0.43 0.00 0.00 57.03 57.20 1g63 h ASP 30 Cb 1.15 0.42 -0.19 0.00 -0.56 0.00 0.00 39.33 40.15 1g63 h ASP 30 CO 0.47 -0.29 -0.59 -1.61 -1.57 0.00 0.00 179.24 175.66 1g63 s GLU 31 N -6.00 0.47 -0.24 3.56 2.02 -1.26 -4.95 118.70 112.31 1g63 s GLU 31 Ca -0.13 -0.65 -0.04 0.00 0.02 0.00 0.00 54.97 54.17 1g63 s GLU 31 Cb 0.27 0.18 0.08 0.00 0.10 0.00 0.00 34.13 34.77 1g63 s GLU 31 CO 0.77 -0.10 0.10 0.54 0.02 0.00 0.00 175.26 176.59 1g63 s VAL 32 N -2.02 0.07 0.38 2.63 0.11 -1.25 -0.83 120.40 119.48 1g63 s VAL 32 Ca -0.10 -0.56 0.08 0.00 -2.93 0.00 0.00 61.98 58.46 1g63 s VAL 32 Cb -0.05 -0.89 -0.02 0.00 -1.53 0.00 0.00 36.38 33.89 1g63 s VAL 32 CO -0.02 -0.50 0.38 0.20 -3.33 0.00 0.00 175.10 171.84 1g63 s ASN 33 N 2.05 5.32 0.02 3.54 0.02 -0.15 -2.51 114.94 123.23 1g63 s ASN 33 Ca 0.05 -0.55 -0.01 0.00 -1.02 0.00 0.00 52.86 51.33 1g63 s ASN 33 Cb -0.16 -0.80 -0.02 0.00 0.02 0.00 0.00 41.25 40.29 1g63 s ASN 33 CO -0.22 -0.54 -0.01 -0.51 0.02 0.00 0.00 177.10 175.85 1g63 s ILE 34 N -2.36 0.11 -0.04 0.60 2.07 -0.56 -0.87 121.20 120.15 1g63 s ILE 34 Ca 0.46 -0.92 -0.01 0.00 -1.41 0.00 0.00 60.65 58.77 1g63 s ILE 34 Cb -0.06 -0.35 0.03 0.00 0.13 0.00 0.00 42.46 42.22 1g63 s ILE 34 CO 0.28 -0.51 0.08 -0.22 -1.91 0.00 0.00 174.94 172.66 1g63 s LEU 35 N -1.52 0.93 0.22 8.50 0.20 -0.02 -1.29 118.68 125.70 1g63 s LEU 35 Ca -0.15 0.15 0.07 0.00 0.69 0.00 0.00 54.13 54.89 1g63 s LEU 35 Cb -0.09 0.11 -0.04 0.00 -0.43 0.00 0.00 46.19 45.74 1g63 s LEU 35 CO -0.01 -0.14 0.08 -0.36 -0.29 0.00 0.00 176.35 175.63 1g63 s PHE 36 N 1.12 2.93 0.30 5.38 0.40 -1.26 -1.02 117.98 125.83 1g63 s PHE 36 Ca -0.09 -0.13 -0.16 0.00 -0.60 0.00 0.00 56.93 55.95 1g63 s PHE 36 Cb -0.12 -1.36 -0.09 0.00 0.51 0.00 0.00 43.02 41.96 1g63 s PHE 36 CO -0.04 0.55 0.74 -1.54 0.70 0.00 0.00 175.22 175.62 1g63 s SER 37 N -3.45 6.84 0.27 1.36 1.04 -0.49 -4.65 113.70 114.63 1g63 s SER 37 Ca 0.31 1.32 0.00 0.00 0.48 0.00 0.00 55.95 58.06 1g63 s SER 37 Cb -0.08 -2.39 0.62 0.00 0.10 0.00 0.00 66.02 64.28 1g63 s SER 37 CO 0.22 -0.16 1.68 -0.65 0.98 0.00 0.00 173.24 175.31 1g63 h PRO 38 N 2.50 0.29 0.00 4.02 0.11 -2.00 -1.31 132.00 135.62 1g63 h PRO 38 Ca -0.48 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1g63 h PRO 38 Cb 1.18 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1g63 h PRO 38 CO 0.65 0.19 -0.27 0.77 -0.21 0.00 0.00 178.00 179.14 1g63 h SER 39 N 0.30 0.00 0.65 -2.05 0.02 -1.97 -2.70 113.55 107.81 1g63 h SER 39 Ca 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 1g63 h SER 39 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1g63 h SER 39 CO -0.56 0.27 0.00 0.77 -1.14 0.00 0.00 176.83 176.17 1g63 h SER 40 N 0.00 0.00 0.44 3.07 4.64 -1.54 -2.17 113.55 117.99 1g63 h SER 40 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1g63 h SER 40 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1g63 h SER 40 CO 0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 1g63 n LYS 41 N -2.60 0.11 0.00 4.77 5.02 -1.02 -1.53 118.16 122.91 1g63 n LYS 41 Ca 0.01 0.18 0.13 0.00 -2.02 0.00 0.00 58.31 56.61 1g63 n LYS 41 Cb 0.21 -1.50 0.46 0.00 -0.02 0.00 0.00 35.03 34.18 1g63 n LYS 41 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1g63 n ASN 42 N -1.40 0.98 -0.07 4.39 5.03 -0.81 -4.04 115.26 119.34 1g63 n ASN 42 Ca 0.06 -0.93 -0.07 0.00 0.87 0.00 0.00 54.58 54.51 1g63 n ASN 42 Cb 0.16 0.07 -0.10 0.00 -1.02 0.00 0.00 39.78 38.89 1g63 n ASN 42 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1g63 n PHE 43 N -0.58 0.00 -4.05 3.10 3.01 -0.58 -5.06 117.46 113.29 1g63 n PHE 43 Ca 0.14 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.50 1g63 n PHE 43 Cb 0.33 -0.65 -0.07 0.00 -0.01 0.00 0.00 39.48 39.08 1g63 n PHE 43 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 1g63 s ILE 44 N -2.32 0.02 -0.58 4.37 -4.36 -1.19 -4.89 121.20 112.25 1g63 s ILE 44 Ca -0.07 -1.59 -0.20 0.00 -0.26 0.00 0.00 60.65 58.53 1g63 s ILE 44 Cb 0.04 -2.21 0.08 0.00 1.25 0.00 0.00 42.46 41.62 1g63 s ILE 44 CO 0.53 -0.08 0.75 0.21 0.24 0.00 0.00 174.94 176.60 1g63 s ASN 45 N -3.05 6.20 0.56 4.36 3.84 -1.26 -4.64 114.94 120.95 1g63 s ASN 45 Ca 0.26 -1.12 0.27 0.00 0.21 0.00 0.00 52.86 52.49 1g63 s ASN 45 Cb 0.03 -2.33 1.64 0.00 -0.55 0.00 0.00 41.25 40.04 1g63 s ASN 45 CO 0.08 -1.13 2.19 0.71 -2.79 0.00 0.00 177.10 176.15 1g63 h THR 46 N 5.92 0.60 0.00 -5.21 1.35 -1.93 -2.57 112.91 111.07 1g63 h THR 46 Ca -0.29 -0.18 -0.02 0.00 -0.55 0.00 0.00 66.41 65.38 1g63 h THR 46 Cb 1.08 1.11 -0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1g63 h THR 46 CO 1.08 0.04 -0.08 0.44 -0.25 0.00 0.00 175.52 176.75 1g63 h ASP 47 N 0.00 0.00 -0.32 5.36 3.32 -2.02 -2.08 116.42 120.67 1g63 h ASP 47 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1g63 h ASP 47 Cb 0.11 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1g63 h ASP 47 CO 0.01 0.08 0.21 0.58 -1.72 0.00 0.00 179.24 178.39 1g63 h VAL 48 N 0.00 1.09 0.00 -1.35 2.07 -1.89 -1.13 116.25 115.05 1g63 h VAL 48 Ca -0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1g63 h VAL 48 Cb 0.16 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1g63 h VAL 48 CO 0.01 0.09 0.00 -0.07 0.02 0.00 0.00 177.57 177.62 1g63 h LEU 49 N 0.45 0.00 -2.29 2.57 -0.00 -1.56 -0.49 115.31 113.99 1g63 h LEU 49 Ca 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.00 1g63 h LEU 49 Cb -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.62 1g63 h LEU 49 CO -0.02 0.00 -0.00 0.11 -0.00 0.00 0.00 178.44 178.52 1g63 h LYS 50 N 0.00 0.00 0.00 1.13 1.57 -1.36 0.12 116.57 118.03 1g63 h LYS 50 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1g63 h LYS 50 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1g63 h LYS 50 CO 0.00 0.00 -0.06 1.28 -0.57 0.00 0.00 179.45 180.11 1g63 n LEU 51 N -3.11 0.70 -0.01 2.94 4.77 -0.19 -4.15 117.00 117.94 1g63 n LEU 51 Ca -0.01 0.53 -0.02 0.00 -0.03 0.00 0.00 56.01 56.48 1g63 n LEU 51 Cb 0.18 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 1g63 n LEU 51 CO 0.23 -0.14 -0.59 0.49 -1.33 0.00 0.00 177.39 176.05 1g63 n PHE 52 N -2.14 0.00 -2.80 -1.77 3.01 -0.61 -5.06 117.46 108.09 1g63 n PHE 52 Ca 0.06 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.23 1g63 n PHE 52 Cb 0.42 -0.12 -0.02 0.00 -0.01 0.00 0.00 39.48 39.75 1g63 n PHE 52 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1g63 h ASP 54 N 0.84 0.89 -4.14 0.00 3.32 -1.81 -3.45 116.42 112.08 1g63 h ASP 54 Ca -0.47 -0.65 -0.15 0.00 0.02 0.00 0.00 57.03 55.78 1g63 h ASP 54 Cb 1.20 -0.27 -0.24 0.00 0.22 0.00 0.00 39.33 40.24 1g63 h ASP 54 CO 0.63 1.40 -0.39 0.20 -1.72 0.00 0.00 179.24 179.36 1g63 s ASN 55 N -7.06 -0.23 -0.18 6.45 -0.87 -1.26 -5.05 114.94 106.73 1g63 s ASN 55 Ca -0.11 0.39 -0.00 0.00 -1.57 0.00 0.00 52.86 51.57 1g63 s ASN 55 Cb 0.08 0.48 0.01 0.00 -0.02 0.00 0.00 41.25 41.79 1g63 s ASN 55 CO 0.90 -0.18 -0.15 -0.22 -2.57 0.00 0.00 177.10 174.87 1g63 s LEU 56 N -0.26 2.39 -0.36 0.60 2.96 -1.26 -1.50 118.68 121.25 1g63 s LEU 56 Ca -0.04 -0.55 -0.19 0.00 -0.22 0.00 0.00 54.13 53.14 1g63 s LEU 56 Cb -0.03 -1.56 0.00 0.00 0.50 0.00 0.00 46.19 45.10 1g63 s LEU 56 CO 0.01 0.02 0.53 -0.31 -1.32 0.00 0.00 176.35 175.28 1g63 s TYR 57 N 1.22 3.16 -0.30 5.38 1.51 -0.41 -5.00 117.35 122.92 1g63 s TYR 57 Ca 0.03 0.13 0.00 0.00 -1.01 0.00 0.00 57.07 56.22 1g63 s TYR 57 Cb -0.14 -2.99 0.06 0.00 -0.11 0.00 0.00 41.96 38.79 1g63 s TYR 57 CO -0.07 -0.59 -0.02 0.34 -1.11 0.00 0.00 175.55 174.10 1g63 s ASP 58 N 1.79 4.77 0.26 2.29 3.68 -1.26 -4.36 116.67 123.84 1g63 s ASP 58 Ca 0.19 -1.44 0.24 0.00 2.13 0.00 0.00 52.55 53.67 1g63 s ASP 58 Cb -0.15 -1.66 0.97 0.00 -1.45 0.00 0.00 42.92 40.62 1g63 s ASP 58 CO 0.14 -0.27 1.73 -1.84 0.13 0.00 0.00 175.17 175.06 1g63 n GLU 59 N 4.53 0.21 0.04 4.34 0.28 -1.26 -1.45 120.64 127.33 1g63 n GLU 59 Ca -0.11 0.40 -0.21 0.00 -0.16 0.00 0.00 57.16 57.08 1g63 n GLU 59 Cb 0.43 -1.87 -0.14 0.00 1.43 0.00 0.00 31.44 31.28 1g63 n GLU 59 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1g63 h ILE 60 N 0.00 1.30 -0.38 3.84 2.04 -1.97 -2.44 117.51 119.90 1g63 h ILE 60 Ca 0.00 -2.50 -0.09 0.00 1.00 0.00 0.00 64.86 63.28 1g63 h ILE 60 Cb 0.42 2.99 -0.02 0.00 -0.74 0.00 0.00 36.82 39.48 1g63 h ILE 60 CO 0.00 0.72 -0.12 0.50 0.00 0.00 0.00 178.15 179.25 1g63 h LYS 61 N -0.30 0.67 -2.78 2.37 3.64 -1.95 -3.38 116.57 114.84 1g63 h LYS 61 Ca -0.22 -0.21 -0.57 0.00 -1.27 0.00 0.00 60.65 58.38 1g63 h LYS 61 Cb 1.73 -0.06 -0.40 0.00 -0.41 0.00 0.00 32.23 33.10 1g63 h LYS 61 CO 0.12 0.77 -0.81 0.34 -2.27 0.00 0.00 179.45 177.61 1g63 s ASP 62 N -6.72 3.31 0.26 4.20 3.68 -0.53 -5.00 116.67 115.86 1g63 s ASP 62 Ca -0.08 -1.90 0.21 0.00 2.13 0.00 0.00 52.55 52.91 1g63 s ASP 62 Cb 0.14 -0.49 0.99 0.00 -1.45 0.00 0.00 42.92 42.11 1g63 s ASP 62 CO 0.81 -0.36 1.65 -2.65 0.13 0.00 0.00 175.17 174.75 1g63 n PRO 63 N 4.44 0.16 -1.17 4.34 -0.02 -0.92 -3.17 135.00 138.66 1g63 n PRO 63 Ca 0.05 0.49 -0.16 0.00 -2.02 0.00 0.00 63.50 61.86 1g63 n PRO 63 Cb 0.39 -1.87 0.15 0.00 -0.02 0.00 0.00 33.50 32.15 1g63 n PRO 63 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1g63 n LEU 64 N -2.18 5.23 -4.76 2.45 7.99 -1.26 -5.03 117.00 119.44 1g63 n LEU 64 Ca 0.01 -4.02 -0.41 0.00 -0.01 0.00 0.00 56.01 51.58 1g63 n LEU 64 Cb 0.15 -0.67 -0.02 0.00 -0.11 0.00 0.00 43.42 42.78 1g63 n LEU 64 CO 0.15 1.42 1.14 -0.22 -1.51 0.00 0.00 177.39 178.37 1g63 s LEU 65 N -3.42 4.36 -0.76 2.23 2.96 -1.19 -4.93 118.68 117.93 1g63 s LEU 65 Ca 0.51 2.85 -0.25 0.00 -0.22 0.00 0.00 54.13 57.02 1g63 s LEU 65 Cb 0.44 -3.64 0.05 0.00 0.50 0.00 0.00 46.19 43.54 1g63 s LEU 65 CO 0.02 -0.78 1.19 0.21 -1.32 0.00 0.00 176.35 175.67 1g63 s ASN 66 N 0.17 6.24 0.50 3.68 3.84 -1.26 -4.89 114.94 123.22 1g63 s ASN 66 Ca 0.58 -0.86 0.18 0.00 0.21 0.00 0.00 52.86 52.96 1g63 s ASN 66 Cb -0.44 -2.51 1.24 0.00 -0.55 0.00 0.00 41.25 38.99 1g63 s ASN 66 CO 0.51 -1.62 2.09 1.12 -2.79 0.00 0.00 177.10 176.41 1g63 h HIS 67 N 9.77 0.00 -0.22 0.43 2.07 -1.97 -1.95 115.15 123.29 1g63 h HIS 67 Ca -0.19 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.30 1g63 h HIS 67 Cb 1.05 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.02 1g63 h HIS 67 CO 1.10 0.09 -0.00 0.82 -3.07 0.00 0.00 177.93 176.87 1g63 h ILE 68 N 0.00 1.26 -0.71 6.12 2.04 -1.96 -1.82 117.51 122.44 1g63 h ILE 68 Ca -0.00 -0.89 -0.06 0.00 1.00 0.00 0.00 64.86 64.92 1g63 h ILE 68 Cb 0.16 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1g63 h ILE 68 CO 0.01 0.27 0.23 0.78 0.00 0.00 0.00 178.15 179.44 1g63 h ASN 69 N 0.15 1.02 -0.72 1.72 -0.26 -1.88 -1.01 115.58 114.59 1g63 h ASN 69 Ca 0.06 -0.18 0.03 0.00 -0.56 0.00 0.00 56.30 55.65 1g63 h ASN 69 Cb 0.40 -0.27 -0.05 0.00 -1.06 0.00 0.00 38.32 37.35 1g63 h ASN 69 CO 0.01 0.95 0.45 0.40 -1.06 0.00 0.00 177.43 178.18 1g63 h ILE 70 N 1.05 1.10 -0.35 2.81 2.04 -1.18 0.10 117.51 123.07 1g63 h ILE 70 Ca 0.23 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.68 1g63 h ILE 70 Cb 0.29 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1g63 h ILE 70 CO -0.01 0.16 -0.19 0.58 0.00 0.00 0.00 178.15 178.69 1g63 h VAL 71 N 0.89 1.29 0.00 1.67 2.07 -0.88 -3.00 116.25 118.28 1g63 h VAL 71 Ca 0.29 -1.32 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 1g63 h VAL 71 Cb 0.02 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1g63 h VAL 71 CO -0.11 0.43 -0.25 -0.33 0.02 0.00 0.00 177.57 177.33 1g63 h GLU 72 N 0.53 0.00 0.00 1.57 5.08 -0.83 -2.66 114.58 118.27 1g63 h GLU 72 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1g63 h GLU 72 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1g63 h GLU 72 CO 0.06 0.25 0.00 -1.71 -1.00 0.00 0.00 179.01 176.60 1g63 n ASN 73 N -3.73 0.00 -4.21 1.42 4.05 -0.01 -4.82 115.26 107.96 1g63 n ASN 73 Ca -0.01 -0.18 -0.21 0.00 0.45 0.00 0.00 54.58 54.63 1g63 n ASN 73 Cb 0.36 -0.25 -0.13 0.00 1.23 0.00 0.00 39.78 40.99 1g63 n ASN 73 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1g63 s HIS 74 N -2.50 1.47 -0.13 1.20 3.76 -1.00 -4.70 115.29 113.38 1g63 s HIS 74 Ca 0.27 -0.41 0.17 0.00 -0.15 0.00 0.00 55.06 54.94 1g63 s HIS 74 Cb 0.18 -0.83 -0.23 0.00 1.11 0.00 0.00 32.58 32.80 1g63 s HIS 74 CO 0.39 0.10 0.42 0.39 -0.85 0.00 0.00 174.74 175.19 1g63 n GLU 75 N 1.44 0.66 -4.46 1.40 1.02 -0.12 -4.92 120.64 115.67 1g63 n GLU 75 Ca -0.19 0.09 -0.20 0.00 -0.02 0.00 0.00 57.16 56.83 1g63 n GLU 75 Cb 0.54 -1.65 -0.15 0.00 -0.02 0.00 0.00 31.44 30.16 1g63 n GLU 75 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1g63 s TYR 76 N -2.74 1.00 -0.18 -0.32 1.51 -1.15 -4.85 117.35 110.62 1g63 s TYR 76 Ca -0.07 -0.22 -0.00 0.00 -1.01 0.00 0.00 57.07 55.77 1g63 s TYR 76 Cb 0.08 -0.67 0.05 0.00 -0.11 0.00 0.00 41.96 41.30 1g63 s TYR 76 CO 0.83 -0.06 -0.05 0.42 -1.11 0.00 0.00 175.55 175.59 1g63 s ILE 77 N -0.06 1.20 -0.08 2.71 1.01 -0.34 -0.93 121.20 124.70 1g63 s ILE 77 Ca 0.01 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 1g63 s ILE 77 Cb -0.06 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 1g63 s ILE 77 CO 0.00 0.06 -0.03 -0.76 0.00 0.00 0.00 174.94 174.22 1g63 s LEU 78 N 1.58 3.39 -0.46 2.97 1.02 0.23 -0.55 118.68 126.87 1g63 s LEU 78 Ca -0.01 0.06 -0.08 0.00 0.02 0.00 0.00 54.13 54.12 1g63 s LEU 78 Cb -0.16 -1.76 0.12 0.00 0.02 0.00 0.00 46.19 44.40 1g63 s LEU 78 CO -0.07 0.36 0.31 0.54 0.02 0.00 0.00 176.35 177.50 1g63 s VAL 79 N -0.77 4.01 -0.11 -1.59 0.11 -0.07 0.11 120.40 122.08 1g63 s VAL 79 Ca 0.12 -1.83 -0.04 0.00 -2.93 0.00 0.00 61.98 57.30 1g63 s VAL 79 Cb -0.11 -3.65 0.06 0.00 -1.53 0.00 0.00 36.38 31.14 1g63 s VAL 79 CO 0.02 -0.75 0.16 -0.22 -3.33 0.00 0.00 175.10 170.98 1g63 s LEU 80 N 1.32 -0.02 0.58 2.54 2.96 -0.42 -2.00 118.68 123.63 1g63 s LEU 80 Ca 0.06 0.11 -0.14 0.00 -0.22 0.00 0.00 54.13 53.94 1g63 s LEU 80 Cb -0.25 0.21 -0.05 0.00 0.50 0.00 0.00 46.19 46.60 1g63 s LEU 80 CO -0.01 -0.27 1.02 -2.84 -1.32 0.00 0.00 176.35 172.92 1g63 s PRO 81 N 2.28 3.64 -0.24 0.98 0.02 -1.26 -4.10 135.00 136.31 1g63 s PRO 81 Ca 0.04 0.91 -0.06 0.00 0.02 0.00 0.00 61.00 61.91 1g63 s PRO 81 Cb -0.13 -2.09 -0.01 0.00 0.02 0.00 0.00 34.50 32.29 1g63 s PRO 81 CO -0.07 -0.53 0.02 0.00 -0.33 0.00 0.00 177.00 176.08 1g63 s ALA 82 N -2.85 2.98 0.58 -1.55 0.00 -0.43 -2.58 121.76 117.90 1g63 s ALA 82 Ca 0.58 -1.20 -0.12 0.00 0.00 0.00 0.00 51.96 51.21 1g63 s ALA 82 Cb -0.11 -1.92 -0.05 0.00 0.00 0.00 0.00 23.12 21.04 1g63 s ALA 82 CO 0.43 -0.53 1.00 -1.54 0.00 0.00 0.00 175.76 175.11 1g63 s SER 83 N 1.53 6.36 0.19 0.00 1.04 -1.26 -1.17 113.70 120.39 1g63 s SER 83 Ca 0.05 1.43 -0.12 0.00 0.48 0.00 0.00 55.95 57.80 1g63 s SER 83 Cb -0.15 -2.47 0.16 0.00 0.10 0.00 0.00 66.02 63.66 1g63 s SER 83 CO 0.00 -0.76 1.82 0.00 0.98 0.00 0.00 173.24 175.28 1g63 h ALA 84 N 0.12 0.78 -0.19 5.32 0.00 -1.98 -1.63 119.26 121.68 1g63 h ALA 84 Ca -0.45 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.51 1g63 h ALA 84 Cb 1.19 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1g63 h ALA 84 CO 0.62 0.06 -0.13 -0.97 0.00 0.00 0.00 179.25 178.83 1g63 h ASN 85 N 0.68 -0.42 -0.37 0.00 -0.73 -1.99 -0.40 115.58 112.36 1g63 h ASN 85 Ca 0.25 0.09 -0.12 0.00 1.87 0.00 0.00 56.30 58.39 1g63 h ASN 85 Cb 0.07 0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 1g63 h ASN 85 CO -0.13 -0.17 -0.22 0.74 -0.37 0.00 0.00 177.43 177.28 1g63 h THR 86 N -0.12 1.27 -0.10 -3.57 2.02 -1.90 -1.20 112.91 109.31 1g63 h THR 86 Ca 0.11 -1.36 0.02 0.00 0.77 0.00 0.00 66.41 65.95 1g63 h THR 86 Cb 0.29 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1g63 h THR 86 CO -0.27 0.46 -0.05 0.40 0.37 0.00 0.00 175.52 176.43 1g63 h ILE 87 N 0.76 0.84 -0.19 3.11 2.04 -0.95 0.00 117.51 123.11 1g63 h ILE 87 Ca 0.10 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 1g63 h ILE 87 Cb 0.77 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1g63 h ILE 87 CO 0.06 0.00 -0.11 0.78 0.00 0.00 0.00 178.15 178.88 1g63 h ASN 88 N -0.04 0.29 -0.13 1.72 -0.26 -0.93 -1.18 115.58 115.05 1g63 h ASN 88 Ca 0.06 -0.06 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 1g63 h ASN 88 Cb 0.13 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.31 1g63 h ASN 88 CO -0.13 0.43 -0.10 0.11 -1.06 0.00 0.00 177.43 176.68 1g63 h LYS 89 N 0.29 0.30 -0.45 0.81 1.57 -0.68 -2.60 116.57 115.82 1g63 h LYS 89 Ca 0.06 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1g63 h LYS 89 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1g63 h LYS 89 CO 0.02 0.67 0.27 0.82 -0.57 0.00 0.00 179.45 180.66 1g63 h ILE 90 N -0.07 1.07 -0.36 1.86 2.04 -0.74 0.11 117.51 121.41 1g63 h ILE 90 Ca 0.02 -0.19 0.08 0.00 1.00 0.00 0.00 64.86 65.77 1g63 h ILE 90 Cb 0.60 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1g63 h ILE 90 CO 0.03 0.10 0.25 0.00 0.00 0.00 0.00 178.15 178.53 1g63 h ALA 91 N 1.19 2.15 -0.64 1.87 0.00 -1.20 -1.37 119.26 121.26 1g63 h ALA 91 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1g63 h ALA 91 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1g63 h ALA 91 CO -0.07 -0.24 0.00 0.09 0.00 0.00 0.00 179.25 179.04 1g63 n ASN 92 N -4.46 3.79 -0.29 0.00 4.13 -0.69 -4.95 115.26 112.78 1g63 n ASN 92 Ca 0.05 -1.99 -0.04 0.00 1.68 0.00 0.00 54.58 54.28 1g63 n ASN 92 Cb 0.33 -0.42 -0.02 0.00 -1.54 0.00 0.00 39.78 38.13 1g63 n ASN 92 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1g63 n GLY 93 N 1.55 0.61 3.67 7.41 0.00 -0.40 -4.97 105.19 113.06 1g63 n GLY 93 Ca 0.23 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1g63 n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g63 s ILE 94 N -1.87 4.55 -0.49 -0.61 1.01 0.23 -4.96 121.20 119.06 1g63 s ILE 94 Ca 0.00 1.85 0.06 0.00 0.00 0.00 0.00 60.65 62.57 1g63 s ILE 94 Cb 0.00 -4.19 0.23 0.00 0.01 0.00 0.00 42.46 38.50 1g63 s ILE 94 CO 0.00 -0.09 0.54 0.00 0.00 0.00 0.00 174.94 175.40 1g63 n ASP 96 N 1.58 2.76 -3.97 0.00 5.68 -1.26 -4.54 116.55 116.79 1g63 n ASP 96 Ca 0.25 -1.99 -0.10 0.00 -0.50 0.00 0.00 54.79 52.46 1g63 n ASP 96 Cb 0.47 -0.33 -0.07 0.00 -1.14 0.00 0.00 41.12 40.05 1g63 n ASP 96 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1g63 s ASN 97 N -1.05 -0.01 0.14 -1.12 2.20 -1.26 -5.05 114.94 108.79 1g63 s ASN 97 Ca 0.35 -0.90 -0.18 0.00 -0.94 0.00 0.00 52.86 51.18 1g63 s ASN 97 Cb 0.18 0.48 0.01 0.00 -2.00 0.00 0.00 41.25 39.92 1g63 s ASN 97 CO 0.24 -0.96 1.73 0.25 -2.94 0.00 0.00 177.10 175.42 1g63 h LEU 98 N 2.45 -0.01 -0.17 3.54 5.85 -1.92 -0.37 115.31 124.68 1g63 h LEU 98 Ca -0.30 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.51 1g63 h LEU 98 Cb 1.24 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.28 1g63 h LEU 98 CO 0.45 0.03 -0.15 0.25 -0.34 0.00 0.00 178.44 178.68 1g63 h LEU 99 N 0.14 -0.46 -1.31 2.25 6.46 -1.94 0.12 115.31 120.56 1g63 h LEU 99 Ca 0.12 0.09 -0.07 0.00 -0.12 0.00 0.00 57.88 57.90 1g63 h LEU 99 Cb 0.13 0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 1g63 h LEU 99 CO -0.17 -0.19 -0.34 0.00 -0.62 0.00 0.00 178.44 177.12 1g63 h THR 100 N -0.16 1.18 -0.07 1.05 1.03 -1.88 -1.13 112.91 112.93 1g63 h THR 100 Ca 0.11 -1.20 -0.19 0.00 -0.01 0.00 0.00 66.41 65.12 1g63 h THR 100 Cb 0.32 1.66 -0.01 0.00 -1.07 0.00 0.00 68.15 69.05 1g63 h THR 100 CO -0.27 0.34 -0.75 0.74 -0.01 0.00 0.00 175.52 175.57 1g63 h THR 101 N 0.00 1.39 -0.46 0.00 2.02 -0.20 -2.56 112.91 113.10 1g63 h THR 101 Ca -0.00 -2.19 -0.12 0.00 0.77 0.00 0.00 66.41 64.87 1g63 h THR 101 Cb 0.63 2.16 -0.02 0.00 -1.74 0.00 0.00 68.15 69.18 1g63 h THR 101 CO 0.04 0.66 -0.17 0.58 0.37 0.00 0.00 175.52 177.00 1g63 h VAL 102 N 0.25 1.27 -0.00 3.16 2.07 -0.22 -2.52 116.25 120.25 1g63 h VAL 102 Ca -0.03 -1.30 -0.09 0.00 0.82 0.00 0.00 66.70 66.09 1g63 h VAL 102 Cb 1.33 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1g63 h VAL 102 CO 0.13 0.45 -0.41 0.00 0.02 0.00 0.00 177.57 177.75 1g63 h LEU 104 N 0.01 0.13 -0.99 0.00 5.85 -1.29 -2.90 115.31 116.10 1g63 h LEU 104 Ca -0.00 -0.56 -0.02 0.00 0.84 0.00 0.00 57.88 58.14 1g63 h LEU 104 Cb 0.74 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 1g63 h LEU 104 CO 0.05 0.66 0.47 0.74 -0.34 0.00 0.00 178.44 180.02 1g63 h THR 105 N -0.40 1.25 -0.92 1.05 2.02 -1.34 -3.17 112.91 111.40 1g63 h THR 105 Ca 0.00 -0.60 -0.64 0.00 0.77 0.00 0.00 66.41 65.95 1g63 h THR 105 Cb 0.64 0.09 -0.34 0.00 -1.74 0.00 0.00 68.15 66.80 1g63 h THR 105 CO 0.02 0.27 0.30 0.61 0.37 0.00 0.00 175.52 177.09 1g63 n GLY 106 N -1.17 6.06 0.34 2.16 0.00 -0.36 -4.72 105.19 107.49 1g63 n GLY 106 Ca 0.09 -2.43 0.17 0.00 0.00 0.00 0.00 46.02 43.85 1g63 n GLY 106 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1g63 h TYR 107 N 2.06 0.00 0.00 1.61 -0.00 -1.48 -1.44 116.97 117.72 1g63 h TYR 107 Ca 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 59.25 1g63 h TYR 107 Cb 1.06 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.79 1g63 h TYR 107 CO 1.24 0.00 -0.05 1.96 -0.00 0.00 0.00 178.16 181.31 1g63 h GLN 108 N 0.00 0.00 -0.26 0.10 4.20 -1.87 -3.11 115.11 114.17 1g63 h GLN 108 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1g63 h GLN 108 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1g63 h GLN 108 CO -0.00 0.05 0.00 1.63 -0.67 0.00 0.00 178.83 179.84 1g63 n LYS 109 N -3.14 2.81 -3.04 1.46 5.02 -0.56 -5.04 118.16 115.67 1g63 n LYS 109 Ca 0.02 -2.42 -0.40 0.00 -2.02 0.00 0.00 58.31 53.49 1g63 n LYS 109 Cb 0.42 -1.54 -0.05 0.00 -0.02 0.00 0.00 35.03 33.84 1g63 n LYS 109 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1g63 s LEU 110 N -1.98 4.40 -0.14 -0.35 2.96 -1.10 -1.20 118.68 121.27 1g63 s LEU 110 Ca 0.31 1.31 -0.01 0.00 -0.22 0.00 0.00 54.13 55.53 1g63 s LEU 110 Cb 0.23 -3.13 0.03 0.00 0.50 0.00 0.00 46.19 43.83 1g63 s LEU 110 CO 0.11 -0.01 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.71 1g63 s PHE 111 N 0.19 1.54 -0.19 5.38 0.40 0.29 -2.80 117.98 122.78 1g63 s PHE 111 Ca 0.37 -0.89 -0.07 0.00 -0.60 0.00 0.00 56.93 55.74 1g63 s PHE 111 Cb -0.19 -1.25 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 1g63 s PHE 111 CO 0.20 -0.56 0.06 0.42 0.70 0.00 0.00 175.22 176.05 1g63 s ILE 112 N 1.69 4.73 -0.59 0.64 1.01 0.10 -0.89 121.20 127.89 1g63 s ILE 112 Ca 0.03 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.64 1g63 s ILE 112 Cb -0.14 -3.14 0.15 0.00 0.01 0.00 0.00 42.46 39.34 1g63 s ILE 112 CO -0.08 0.44 0.37 -0.36 0.00 0.00 0.00 174.94 175.31 1g63 s PHE 113 N 0.54 3.32 0.37 3.97 0.40 -0.85 -0.90 117.98 124.83 1g63 s PHE 113 Ca 0.03 -3.00 -0.27 0.00 -0.60 0.00 0.00 56.93 53.09 1g63 s PHE 113 Cb -0.13 -2.98 -0.11 0.00 0.51 0.00 0.00 43.02 40.30 1g63 s PHE 113 CO 0.01 -0.77 1.30 -2.30 0.70 0.00 0.00 175.22 174.16 1g63 n PRO 114 N 3.15 2.12 -3.65 0.24 -0.02 -1.26 -1.32 135.00 134.26 1g63 n PRO 114 Ca 0.08 0.75 -0.10 0.00 -2.02 0.00 0.00 63.50 62.20 1g63 n PRO 114 Cb 0.35 -2.38 -0.11 0.00 -0.02 0.00 0.00 33.50 31.34 1g63 n PRO 114 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1g63 s ASN 115 N -0.36 -0.06 0.03 2.55 3.84 -0.32 -4.73 114.94 115.89 1g63 s ASN 115 Ca 0.57 0.86 -0.29 0.00 0.21 0.00 0.00 52.86 54.21 1g63 s ASN 115 Cb -0.54 1.16 0.10 0.00 -0.55 0.00 0.00 41.25 41.42 1g63 s ASN 115 CO 0.61 -0.24 1.20 0.00 -2.79 0.00 0.00 177.10 175.88 1g63 s MET 116 N 2.56 0.62 0.55 0.43 0.23 -1.26 -4.47 119.30 117.96 1g63 s MET 116 Ca -0.00 -0.35 -0.20 0.00 -1.03 0.00 0.00 55.69 54.11 1g63 s MET 116 Cb -0.12 0.21 -0.05 0.00 -1.53 0.00 0.00 34.83 33.34 1g63 s MET 116 CO -0.12 -0.29 1.19 1.21 -2.03 0.00 0.00 175.02 174.99 1g63 s ASN 117 N -2.98 5.54 0.38 -1.18 3.84 -1.26 -4.60 114.94 114.68 1g63 s ASN 117 Ca 0.14 2.35 0.13 0.00 0.21 0.00 0.00 52.86 55.69 1g63 s ASN 117 Cb 0.03 -2.60 0.93 0.00 -0.55 0.00 0.00 41.25 39.06 1g63 s ASN 117 CO -0.02 -1.35 1.85 -0.29 -2.79 0.00 0.00 177.10 174.50 1g63 h ILE 118 N 1.23 0.74 -0.33 -5.21 6.09 -1.92 -1.67 117.51 116.44 1g63 h ILE 118 Ca -0.50 -0.19 -0.08 0.00 -1.37 0.00 0.00 64.86 62.72 1g63 h ILE 118 Cb 1.28 0.13 -0.02 0.00 0.47 0.00 0.00 36.82 38.68 1g63 h ILE 118 CO 0.57 0.10 -0.12 -0.09 -3.07 0.00 0.00 178.15 175.54 1g63 h ARG 119 N 0.57 0.56 -0.23 2.19 2.43 -1.95 -2.40 114.38 115.55 1g63 h ARG 119 Ca 0.47 -0.17 -0.13 0.00 -0.81 0.00 0.00 59.98 59.35 1g63 h ARG 119 Cb 0.95 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 1g63 h ARG 119 CO -0.22 0.67 -0.40 0.52 -1.51 0.00 0.00 179.97 179.03 1g63 h MET 120 N 0.52 0.53 0.00 0.20 2.86 -1.68 -2.86 114.93 114.50 1g63 h MET 120 Ca 0.09 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1g63 h MET 120 Cb 0.51 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 1g63 h MET 120 CO 0.03 0.85 -0.04 2.35 1.06 0.00 0.00 176.91 181.15 1g63 h TRP 121 N 0.44 0.00 -0.00 -0.22 2.91 -1.09 -2.07 115.95 115.91 1g63 h TRP 121 Ca 0.04 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.06 1g63 h TRP 121 Cb 0.90 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.55 1g63 h TRP 121 CO 0.03 0.04 -0.00 0.41 -1.03 0.00 0.00 178.44 177.89 1g63 n GLY 122 N -1.28 -0.90 3.71 2.65 0.00 -1.08 -4.72 105.19 103.57 1g63 n GLY 122 Ca -0.03 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1g63 n GLY 122 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1g63 s ASN 123 N -2.05 6.51 0.23 1.61 3.84 -0.78 -4.91 114.94 119.38 1g63 s ASN 123 Ca 0.45 2.67 -0.07 0.00 0.21 0.00 0.00 52.86 56.12 1g63 s ASN 123 Cb 0.22 -2.58 0.28 0.00 -0.55 0.00 0.00 41.25 38.62 1g63 s ASN 123 CO 0.38 -0.91 1.83 -0.65 -2.79 0.00 0.00 177.10 174.96 1g63 h PRO 124 N 7.56 0.82 -0.27 0.43 0.11 -1.91 -1.47 132.00 137.27 1g63 h PRO 124 Ca -0.43 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 1g63 h PRO 124 Cb 1.21 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1g63 h PRO 124 CO 0.94 0.54 -0.42 0.74 -0.21 0.00 0.00 178.00 179.59 1g63 h PHE 125 N 0.84 0.78 0.24 0.65 -1.00 -1.98 -0.81 116.94 115.66 1g63 h PHE 125 Ca 0.34 -0.23 -0.01 0.00 2.81 0.00 0.00 57.97 60.87 1g63 h PHE 125 Cb 0.16 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1g63 h PHE 125 CO -0.05 0.96 -0.12 1.25 -1.61 0.00 0.00 178.31 178.74 1g63 h LEU 126 N 0.53 -0.28 -0.95 1.54 5.85 -1.84 -2.32 115.31 117.85 1g63 h LEU 126 Ca 0.04 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.69 1g63 h LEU 126 Cb 0.95 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.98 1g63 h LEU 126 CO 0.09 0.01 0.60 1.56 -0.34 0.00 0.00 178.44 180.35 1g63 h GLN 127 N -0.57 1.01 -0.65 1.25 1.08 -1.22 0.64 115.11 116.64 1g63 h GLN 127 Ca -0.03 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.07 1g63 h GLN 127 Cb 0.42 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.59 1g63 h GLN 127 CO 0.05 0.67 0.27 -0.22 -0.95 0.00 0.00 178.83 178.65 1g63 h LYS 128 N 1.04 0.94 -0.14 1.46 3.64 -1.09 -1.57 116.57 120.85 1g63 h LYS 128 Ca 0.43 -0.15 -0.16 0.00 -1.27 0.00 0.00 60.65 59.51 1g63 h LYS 128 Cb 0.28 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1g63 h LYS 128 CO -0.21 0.76 -0.58 -0.91 -2.27 0.00 0.00 179.45 176.24 1g63 h ASN 129 N 0.93 0.51 -0.60 4.20 -0.26 -0.58 -2.00 115.58 117.76 1g63 h ASN 129 Ca 0.22 -0.28 -0.08 0.00 -0.56 0.00 0.00 56.30 55.60 1g63 h ASN 129 Cb 0.16 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.25 1g63 h ASN 129 CO -0.02 0.98 0.08 0.40 -1.06 0.00 0.00 177.43 177.81 1g63 h ILE 130 N 0.34 1.26 -0.36 2.81 2.04 -0.39 -0.20 117.51 123.01 1g63 h ILE 130 Ca -0.00 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 1g63 h ILE 130 Cb 1.12 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1g63 h ILE 130 CO 0.10 0.38 0.07 0.44 0.00 0.00 0.00 178.15 179.14 1g63 h ASP 131 N 0.97 0.55 -0.73 1.72 3.45 -1.20 -1.55 116.42 119.63 1g63 h ASP 131 Ca 0.19 -0.25 0.06 0.00 0.43 0.00 0.00 57.03 57.46 1g63 h ASP 131 Cb 0.44 -0.15 -0.06 0.00 -0.56 0.00 0.00 39.33 39.01 1g63 h ASP 131 CO 0.01 0.66 0.42 0.25 -1.57 0.00 0.00 179.24 179.01 1g63 h LEU 132 N 0.42 0.64 -0.31 1.55 5.85 -0.95 -0.32 115.31 122.20 1g63 h LEU 132 Ca 0.11 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1g63 h LEU 132 Cb 0.33 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1g63 h LEU 132 CO 0.00 0.41 0.08 -0.07 -0.34 0.00 0.00 178.44 178.53 1g63 h LEU 133 N 0.77 0.46 -0.57 2.25 3.38 -0.74 -3.03 115.31 117.84 1g63 h LEU 133 Ca 0.32 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1g63 h LEU 133 Cb 0.18 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1g63 h LEU 133 CO -0.18 0.57 0.24 0.11 0.09 0.00 0.00 178.44 179.26 1g63 h LYS 134 N 0.34 0.85 0.00 1.13 1.57 -0.80 -1.81 116.57 117.85 1g63 h LYS 134 Ca 0.10 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1g63 h LYS 134 Cb 0.28 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1g63 h LYS 134 CO -0.00 0.72 0.00 0.09 -0.57 0.00 0.00 179.45 179.69 1g63 n ASN 135 N -4.50 0.00 -0.98 0.86 5.03 -0.17 -2.71 115.26 112.78 1g63 n ASN 135 Ca 0.03 -1.09 0.05 0.00 0.87 0.00 0.00 54.58 54.44 1g63 n ASN 135 Cb 0.16 0.00 0.10 0.00 -1.02 0.00 0.00 39.78 39.01 1g63 n ASN 135 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1g63 n ASN 136 N -0.63 1.26 -0.85 6.41 3.02 -0.75 -5.00 115.26 118.72 1g63 n ASN 136 Ca 0.04 -2.77 -0.11 0.00 -0.03 0.00 0.00 54.58 51.71 1g63 n ASN 136 Cb 0.02 -0.38 -0.04 0.00 -0.61 0.00 0.00 39.78 38.76 1g63 n ASN 136 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1g63 n ASP 137 N -0.27 -4.27 -4.58 6.41 9.92 -1.10 -5.01 116.55 117.66 1g63 n ASP 137 Ca 0.11 0.26 -0.37 0.00 -0.53 0.00 0.00 54.79 54.25 1g63 n ASP 137 Cb 0.91 -2.76 -0.11 0.00 -0.64 0.00 0.00 41.12 38.52 1g63 n ASP 137 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1g63 s VAL 138 N -2.41 5.13 -0.22 2.53 1.01 -0.77 -4.82 120.40 120.85 1g63 s VAL 138 Ca 0.00 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.80 1g63 s VAL 138 Cb 0.00 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 1g63 s VAL 138 CO 0.00 0.29 1.32 -0.54 0.00 0.00 0.00 175.10 176.17 1g63 s LYS 139 N 1.58 4.06 -0.29 2.72 3.01 -1.12 -3.92 119.74 125.78 1g63 s LYS 139 Ca 0.07 1.51 0.02 0.00 -1.01 0.00 0.00 55.97 56.56 1g63 s LYS 139 Cb -0.15 -3.84 0.07 0.00 -1.01 0.00 0.00 37.83 32.89 1g63 s LYS 139 CO 0.08 -0.93 -0.04 0.08 0.51 0.00 0.00 175.35 175.05 1g63 s VAL 140 N 4.02 2.44 0.41 3.17 1.01 -1.26 0.02 120.40 130.21 1g63 s VAL 140 Ca 0.57 -1.72 -0.25 0.00 0.00 0.00 0.00 61.98 60.58 1g63 s VAL 140 Cb -0.20 -2.50 -0.08 0.00 0.00 0.00 0.00 36.38 33.60 1g63 s VAL 140 CO 0.20 -0.18 1.24 -0.47 0.00 0.00 0.00 175.10 175.90 1g63 s TYR 141 N 1.10 2.89 -0.35 5.22 6.14 -0.08 -4.97 117.35 127.30 1g63 s TYR 141 Ca -0.04 1.47 -0.23 0.00 0.64 0.00 0.00 57.07 58.91 1g63 s TYR 141 Cb -0.20 -3.55 0.01 0.00 0.42 0.00 0.00 41.96 38.64 1g63 s TYR 141 CO -0.05 -1.79 0.80 -1.12 0.64 0.00 0.00 175.55 174.03 1g63 s SER 142 N -0.95 6.59 0.26 4.32 0.01 -1.26 -4.43 113.70 118.24 1g63 s SER 142 Ca 0.58 0.45 -0.28 0.00 1.31 0.00 0.00 55.95 58.02 1g63 s SER 142 Cb -0.35 -2.40 -0.15 0.00 0.21 0.00 0.00 66.02 63.33 1g63 s SER 142 CO 0.44 -0.71 0.75 -2.65 0.41 0.00 0.00 173.24 171.48 1g63 n PRO 143 N 6.39 0.67 -2.84 12.44 -0.02 -1.26 -4.94 135.00 145.45 1g63 n PRO 143 Ca 0.03 0.24 -0.36 0.00 -2.02 0.00 0.00 63.50 61.39 1g63 n PRO 143 Cb 0.48 -1.43 -0.06 0.00 -0.02 0.00 0.00 33.50 32.47 1g63 n PRO 143 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1g63 s ASP 144 N -0.79 7.25 0.36 2.55 1.11 -1.26 -4.96 116.67 120.94 1g63 s ASP 144 Ca 0.61 1.75 0.07 0.00 0.18 0.00 0.00 52.55 55.16 1g63 s ASP 144 Cb -0.80 -2.55 -0.02 0.00 1.07 0.00 0.00 42.92 40.62 1g63 s ASP 144 CO 0.58 -0.08 0.24 0.23 1.18 0.00 0.00 175.17 177.32 1g63 n MET 145 N 0.48 0.46 -0.01 8.23 2.81 -1.26 -0.77 117.12 127.06 1g63 n MET 145 Ca 0.02 -3.38 0.00 0.00 -1.81 0.00 0.00 57.70 52.52 1g63 n MET 145 Cb 0.51 2.47 0.00 0.00 -0.71 0.00 0.00 33.22 35.48 1g63 n MET 145 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1g63 n ASN 146 N -1.63 0.00 -4.34 7.83 6.94 -1.26 -4.92 115.26 117.88 1g63 n ASN 146 Ca 0.03 -0.08 -0.33 0.00 -0.02 0.00 0.00 54.58 54.18 1g63 n ASN 146 Cb 0.61 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.88 1g63 n ASN 146 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1g63 s ASN 158 N 0.00 3.97 -0.08 0.53 3.84 -1.26 -5.09 114.94 116.85 1g63 s ASN 158 Ca 0.00 -0.37 -0.20 0.00 0.21 0.00 0.00 52.86 52.50 1g63 s ASN 158 Cb 0.00 -1.62 0.04 0.00 -0.55 0.00 0.00 41.25 39.13 1g63 s ASN 158 CO 0.00 0.12 0.47 0.20 -2.79 0.00 0.00 177.10 175.10 1g63 s ASN 159 N 0.62 -0.42 0.20 -4.21 -0.87 -1.26 -4.85 114.94 104.15 1g63 s ASN 159 Ca -0.07 0.55 -0.22 0.00 -1.57 0.00 0.00 52.86 51.55 1g63 s ASN 159 Cb -0.15 0.60 -0.08 0.00 -0.02 0.00 0.00 41.25 41.59 1g63 s ASN 159 CO 0.03 -0.40 0.74 0.27 -2.57 0.00 0.00 177.10 175.17 1g63 s ILE 160 N -0.79 4.49 0.45 0.60 -5.25 -1.26 -4.37 121.20 115.07 1g63 s ILE 160 Ca -0.09 1.44 0.04 0.00 -0.99 0.00 0.00 60.65 61.06 1g63 s ILE 160 Cb -0.03 -3.96 -0.05 0.00 2.95 0.00 0.00 42.46 41.37 1g63 s ILE 160 CO 0.05 0.32 0.01 0.42 -1.79 0.00 0.00 174.94 173.95 1g63 s THR 161 N -1.39 1.61 0.72 8.37 -4.23 0.05 -4.90 115.64 115.87 1g63 s THR 161 Ca 0.40 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.80 1g63 s THR 161 Cb -0.19 -2.63 0.02 0.00 1.34 0.00 0.00 72.50 71.04 1g63 s THR 161 CO 0.23 0.00 1.08 -0.04 -0.54 0.00 0.00 174.62 175.35 1g63 s MET 162 N -3.78 2.77 0.13 3.99 -1.94 -1.26 -4.03 119.30 115.19 1g63 s MET 162 Ca 0.23 0.64 -0.31 0.00 -1.71 0.00 0.00 55.69 54.54 1g63 s MET 162 Cb 0.06 -2.00 -0.09 0.00 2.01 0.00 0.00 34.83 34.82 1g63 s MET 162 CO 0.12 -1.14 1.47 -2.14 -0.01 0.00 0.00 175.02 173.31 1g63 s PRO 163 N -5.22 4.27 0.60 2.03 0.02 -1.26 -4.83 135.00 130.62 1g63 s PRO 163 Ca 0.58 2.20 -0.19 0.00 0.02 0.00 0.00 61.00 63.61 1g63 s PRO 163 Cb -0.12 -3.21 -0.03 0.00 0.02 0.00 0.00 34.50 31.15 1g63 s PRO 163 CO 0.53 -0.51 1.22 1.21 -0.33 0.00 0.00 177.00 179.13 1g63 s ASN 164 N 1.13 5.07 0.35 2.53 3.84 -1.26 -4.83 114.94 121.77 1g63 s ASN 164 Ca 0.67 2.43 0.14 0.00 0.21 0.00 0.00 52.86 56.31 1g63 s ASN 164 Cb -0.40 -2.60 0.64 0.00 -0.55 0.00 0.00 41.25 38.34 1g63 s ASN 164 CO 0.31 -1.67 1.75 -0.29 -2.79 0.00 0.00 177.10 174.41 1g63 h ILE 165 N 0.81 1.22 0.14 -5.21 -0.00 -1.99 -0.34 117.51 112.12 1g63 h ILE 165 Ca -0.50 -1.55 -0.01 0.00 -0.00 0.00 0.00 64.86 62.80 1g63 h ILE 165 Cb 1.30 1.86 0.00 0.00 -0.00 0.00 0.00 36.82 39.99 1g63 h ILE 165 CO 0.55 0.43 -0.07 -0.08 -0.00 0.00 0.00 178.15 178.98 1g63 h GLU 166 N 0.00 -0.18 -0.38 2.19 4.81 -2.01 -3.09 114.58 115.93 1g63 h GLU 166 Ca -0.00 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1g63 h GLU 166 Cb 0.82 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 1g63 h GLU 166 CO 0.06 0.23 0.23 -0.91 -0.73 0.00 0.00 179.01 177.88 1g63 h ASN 167 N -0.66 0.44 -0.62 1.04 -0.26 -1.90 -2.14 115.58 111.49 1g63 h ASN 167 Ca -0.02 -0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 55.61 1g63 h ASN 167 Cb 0.49 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.62 1g63 h ASN 167 CO 0.03 0.34 0.05 1.62 -1.06 0.00 0.00 177.43 178.41 1g63 h VAL 168 N 0.52 1.26 -0.50 2.81 3.04 -1.10 -2.81 116.25 119.48 1g63 h VAL 168 Ca 0.14 -1.09 -0.06 0.00 -1.01 0.00 0.00 66.70 64.67 1g63 h VAL 168 Cb -0.02 0.73 -0.02 0.00 -2.01 0.00 0.00 31.29 29.97 1g63 h VAL 168 CO -0.03 0.40 0.07 -0.07 -1.01 0.00 0.00 177.57 176.94 1g63 h LEU 169 N 0.99 0.80 0.12 3.16 3.38 -1.31 -2.95 115.31 119.50 1g63 h LEU 169 Ca 0.18 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1g63 h LEU 169 Cb 0.50 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1g63 h LEU 169 CO 0.02 0.87 -0.17 0.78 0.09 0.00 0.00 178.44 180.03 1g63 h ASN 170 N 0.71 -0.46 -0.86 -0.43 2.35 -1.37 0.38 115.58 115.90 1g63 h ASN 170 Ca 0.15 0.05 0.14 0.00 -0.55 0.00 0.00 56.30 56.09 1g63 h ASN 170 Cb 0.41 0.17 -0.09 0.00 0.05 0.00 0.00 38.32 38.86 1g63 h ASN 170 CO 0.01 -0.25 0.46 0.15 -1.65 0.00 0.00 177.43 176.15 1g63 h PHE 171 N -0.34 0.80 0.03 1.19 3.57 -1.47 -1.05 116.94 119.67 1g63 h PHE 171 Ca 0.02 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 1g63 h PHE 171 Cb 0.34 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 1g63 h PHE 171 CO -0.16 0.22 -0.36 0.28 -2.23 0.00 0.00 178.31 176.06 1g63 h VAL 172 N 0.66 1.60 0.00 1.41 2.07 -1.34 -3.36 116.25 117.29 1g63 h VAL 172 Ca 0.46 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.62 1g63 h VAL 172 Cb 0.62 3.18 0.00 0.00 -1.52 0.00 0.00 31.29 33.57 1g63 h VAL 172 CO -0.34 0.59 0.00 0.18 0.02 0.00 0.00 177.57 178.01 1g63 n LEU 173 N -4.48 0.00 0.00 2.57 7.99 0.11 -5.12 117.00 118.06 1g63 n LEU 173 Ca -0.14 0.50 0.00 0.00 -0.01 0.00 0.00 56.01 56.36 1g63 n LEU 173 Cb 0.58 -0.50 0.00 0.00 -0.11 0.00 0.00 43.42 43.39 1g63 n LEU 173 CO 0.34 -0.14 0.00 -0.46 -1.51 0.00 0.00 177.39 175.63