#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d63 n HIS -18 N 0.00 0.00 -2.20 0.00 -0.00 -1.22 -4.83 115.22 106.96 3d63 n HIS -18 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.60 3d63 n HIS -18 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.04 3d63 n HIS -18 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3d63 n HIS -17 N -0.08 1.84 -2.38 4.41 -0.00 -1.26 -2.01 115.22 115.73 3d63 n HIS -17 Ca 0.00 -2.00 -0.41 0.00 -0.00 0.00 0.00 57.72 55.31 3d63 n HIS -17 Cb 0.00 -0.29 -0.04 0.00 -0.00 0.00 0.00 29.99 29.66 3d63 n HIS -17 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 3d63 s HIS -16 N -3.39 3.45 -0.41 4.41 3.76 -1.26 -4.87 115.29 116.98 3d63 s HIS -16 Ca 0.42 1.56 0.04 0.00 -0.15 0.00 0.00 55.06 56.93 3d63 s HIS -16 Cb 0.38 -3.40 0.17 0.00 1.11 0.00 0.00 32.58 30.84 3d63 s HIS -16 CO -0.01 -0.97 0.34 -1.01 -0.85 0.00 0.00 174.74 172.24 3d63 s HIS -15 N -0.80 0.87 -0.72 1.40 4.02 -1.26 -0.68 115.29 118.12 3d63 s HIS -15 Ca 0.48 -2.11 -0.00 0.00 1.02 0.00 0.00 55.06 54.44 3d63 s HIS -15 Cb -0.33 -0.84 -0.00 0.00 -1.02 0.00 0.00 32.58 30.38 3d63 s HIS -15 CO 0.42 -0.85 0.60 0.72 1.02 0.00 0.00 174.74 176.64 3d63 n HIS -14 N 3.05 -1.32 -2.32 1.40 8.25 -1.26 -5.09 115.22 117.93 3d63 n HIS -14 Ca 0.26 0.56 0.00 0.00 -0.26 0.00 0.00 57.72 58.29 3d63 n HIS -14 Cb 0.47 -3.85 0.00 0.00 1.12 0.00 0.00 29.99 27.73 3d63 n HIS -14 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3d63 n SER 4 N -2.29 0.00 0.07 0.41 7.64 -1.26 -5.10 113.62 113.10 3d63 n SER 4 Ca -0.17 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.57 3d63 n SER 4 Cb 0.60 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.74 3d63 n SER 4 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 3d63 h ASN 5 N 0.00 0.55 -3.66 6.43 -0.00 -2.06 -3.46 115.58 113.38 3d63 h ASN 5 Ca 0.00 -0.46 -0.51 0.00 -0.00 0.00 0.00 56.30 55.33 3d63 h ASN 5 Cb 0.00 -0.17 -0.03 0.00 -0.00 0.00 0.00 38.32 38.13 3d63 h ASN 5 CO 0.00 1.27 0.25 -0.69 -0.00 0.00 0.00 177.43 178.26 3d63 s VAL 6 N -3.18 4.28 0.45 2.57 1.01 -1.26 -5.06 120.40 119.22 3d63 s VAL 6 Ca -0.06 1.78 -0.09 0.00 0.00 0.00 0.00 61.98 63.62 3d63 s VAL 6 Cb 0.08 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 3d63 s VAL 6 CO 0.87 0.41 0.80 -2.84 0.00 0.00 0.00 175.10 174.35 3d63 s PRO 7 N -1.41 3.68 0.53 2.72 0.02 -1.26 -4.48 135.00 134.80 3d63 s PRO 7 Ca 0.41 0.40 0.32 0.00 0.02 0.00 0.00 61.00 62.15 3d63 s PRO 7 Cb -0.22 -2.36 1.21 0.00 0.02 0.00 0.00 34.50 33.15 3d63 s PRO 7 CO 0.27 -0.14 1.93 0.00 -0.33 0.00 0.00 177.00 178.72 3d63 h ALA 8 N 0.76 1.00 0.00 -1.55 0.00 -1.87 -3.41 119.26 114.19 3d63 h ALA 8 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3d63 h ALA 8 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3d63 h ALA 8 CO 0.63 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.29 3d63 n GLY 9 N 0.20 2.86 0.48 0.00 0.00 -1.26 -1.86 105.19 105.60 3d63 n GLY 9 Ca 0.01 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.50 3d63 n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d63 n LYS 10 N -0.79 1.23 -2.72 1.61 5.02 -1.06 -4.59 118.16 116.85 3d63 n LYS 10 Ca 0.00 -0.96 -0.05 0.00 -2.02 0.00 0.00 58.31 55.28 3d63 n LYS 10 Cb 0.00 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.57 3d63 n LYS 10 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3d63 n ASP 11 N -0.04 -2.53 -4.77 4.39 2.03 -1.03 -5.05 116.55 109.54 3d63 n ASP 11 Ca 0.11 -2.38 -0.37 0.00 0.52 0.00 0.00 54.79 52.67 3d63 n ASP 11 Cb 0.45 1.38 -0.03 0.00 -0.72 0.00 0.00 41.12 42.20 3d63 n ASP 11 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3d63 s LEU 12 N 0.36 4.14 0.00 -2.67 1.43 -1.25 -1.27 118.68 119.43 3d63 s LEU 12 Ca 0.28 2.21 0.24 0.00 -1.03 0.00 0.00 54.13 55.83 3d63 s LEU 12 Cb 0.12 -4.13 0.18 0.00 0.03 0.00 0.00 46.19 42.39 3d63 s LEU 12 CO -0.12 -0.64 1.23 -0.81 0.23 0.00 0.00 176.35 176.24 3d63 n PRO 13 N -0.08 1.76 0.19 1.29 -0.04 -1.26 -4.85 135.00 132.01 3d63 n PRO 13 Ca 0.05 -1.42 0.08 0.00 -0.04 0.00 0.00 63.50 62.17 3d63 n PRO 13 Cb 0.48 -1.47 0.27 0.00 -0.04 0.00 0.00 33.50 32.74 3d63 n PRO 13 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3d63 h GLN 14 N 3.47 0.00 -3.89 0.54 7.50 -1.87 -3.41 115.11 117.45 3d63 h GLN 14 Ca 0.00 0.00 -0.60 0.00 0.50 0.00 0.00 58.65 58.55 3d63 h GLN 14 Cb 0.85 0.00 -0.40 0.00 0.05 0.00 0.00 27.48 27.98 3d63 h GLN 14 CO 0.00 0.28 -0.75 0.34 -1.50 0.00 0.00 178.83 177.20 3d63 s ASP 15 N -6.27 4.09 0.34 1.46 -1.08 -0.40 -4.16 116.67 110.65 3d63 s ASP 15 Ca 0.03 -1.63 0.04 0.00 -0.52 0.00 0.00 52.55 50.47 3d63 s ASP 15 Cb 0.08 -1.05 -0.03 0.00 -1.46 0.00 0.00 42.92 40.46 3d63 s ASP 15 CO 0.68 -0.38 0.17 0.72 0.52 0.00 0.00 175.17 176.88 3d63 s PHE 16 N 1.45 1.68 0.02 -5.34 -0.12 -0.96 -2.47 117.98 112.25 3d63 s PHE 16 Ca 0.07 -1.40 0.06 0.00 -0.05 0.00 0.00 56.93 55.61 3d63 s PHE 16 Cb -0.18 -0.91 -0.03 0.00 -0.63 0.00 0.00 43.02 41.27 3d63 s PHE 16 CO -0.18 -0.53 -0.16 -0.80 -0.05 0.00 0.00 175.22 173.50 3d63 s ASN 17 N -3.44 3.95 -0.04 1.98 0.01 -0.78 0.38 114.94 117.00 3d63 s ASN 17 Ca 0.34 -0.35 -0.00 0.00 -0.71 0.00 0.00 52.86 52.13 3d63 s ASN 17 Cb 0.04 -0.71 0.03 0.00 0.41 0.00 0.00 41.25 41.01 3d63 s ASN 17 CO 0.19 0.27 0.00 -0.69 -1.51 0.00 0.00 177.10 175.36 3d63 s VAL 18 N -0.91 0.22 -0.20 1.60 1.01 -0.03 -4.26 120.40 117.84 3d63 s VAL 18 Ca 0.15 0.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 3d63 s VAL 18 Cb -0.11 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 3d63 s VAL 18 CO 0.05 0.19 0.41 -0.63 0.00 0.00 0.00 175.10 175.11 3d63 s ILE 19 N 1.40 5.19 0.04 2.22 1.01 0.21 -0.82 121.20 130.45 3d63 s ILE 19 Ca -0.04 0.72 -0.30 0.00 0.00 0.00 0.00 60.65 61.03 3d63 s ILE 19 Cb -0.13 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3d63 s ILE 19 CO -0.03 0.24 0.96 -0.63 0.00 0.00 0.00 174.94 175.48 3d63 s ILE 20 N 1.37 4.73 -0.16 2.92 -1.09 0.41 -0.86 121.20 128.53 3d63 s ILE 20 Ca 0.19 2.03 0.02 0.00 -2.23 0.00 0.00 60.65 60.67 3d63 s ILE 20 Cb -0.15 -4.31 -0.11 0.00 -1.58 0.00 0.00 42.46 36.32 3d63 s ILE 20 CO 0.08 0.23 -0.12 -0.62 -1.23 0.00 0.00 174.94 173.28 3d63 n GLU 21 N 3.44 0.57 -3.86 2.79 1.02 0.13 -0.17 120.64 124.57 3d63 n GLU 21 Ca 0.04 0.08 -0.27 0.00 -0.02 0.00 0.00 57.16 57.00 3d63 n GLU 21 Cb 0.50 -1.32 -0.17 0.00 -0.02 0.00 0.00 31.44 30.44 3d63 n GLU 21 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3d63 s ILE 22 N -2.32 0.87 0.53 -3.67 1.01 0.33 -4.72 121.20 113.25 3d63 s ILE 22 Ca -0.20 -0.35 -0.18 0.00 0.00 0.00 0.00 60.65 59.92 3d63 s ILE 22 Cb 0.05 -1.02 -0.06 0.00 0.01 0.00 0.00 42.46 41.44 3d63 s ILE 22 CO 0.38 0.21 1.04 -2.84 0.00 0.00 0.00 174.94 173.73 3d63 s PRO 23 N 1.75 3.62 0.63 2.79 0.02 -1.26 -0.43 135.00 142.12 3d63 s PRO 23 Ca 0.03 1.25 -0.18 0.00 0.02 0.00 0.00 61.00 62.12 3d63 s PRO 23 Cb -0.14 -2.07 -0.03 0.00 0.02 0.00 0.00 34.50 32.28 3d63 s PRO 23 CO -0.07 -0.57 1.12 0.00 -0.33 0.00 0.00 177.00 177.15 3d63 n ALA 24 N -1.47 0.65 -0.79 -1.55 0.00 -1.25 -2.35 120.51 113.75 3d63 n ALA 24 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3d63 n ALA 24 Cb 0.53 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.76 3d63 n ALA 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3d63 n GLN 25 N -1.47 -0.03 -1.62 0.00 1.13 0.30 -4.72 117.38 110.97 3d63 n GLN 25 Ca 0.15 0.01 -0.41 0.00 -1.94 0.00 0.00 57.00 54.80 3d63 n GLN 25 Cb 0.48 -3.38 0.01 0.00 0.11 0.00 0.00 30.24 27.46 3d63 n GLN 25 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3d63 n SER 26 N -0.01 1.36 -4.69 1.08 7.64 -0.99 -4.70 113.62 113.30 3d63 n SER 26 Ca 0.00 1.05 -0.43 0.00 1.01 0.00 0.00 58.87 60.49 3d63 n SER 26 Cb 0.01 -1.36 -0.01 0.00 -1.01 0.00 0.00 64.21 61.83 3d63 n SER 26 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3d63 n GLU 27 N 0.16 2.14 -1.61 1.43 0.28 -1.26 -2.71 120.64 119.07 3d63 n GLU 27 Ca 0.09 0.75 -0.41 0.00 -0.16 0.00 0.00 57.16 57.43 3d63 n GLU 27 Cb 0.39 -2.38 -0.01 0.00 1.43 0.00 0.00 31.44 30.87 3d63 n GLU 27 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 3d63 n PRO 28 N 1.17 2.96 -3.80 3.44 -0.04 -1.26 -4.82 135.00 132.65 3d63 n PRO 28 Ca 0.07 -2.48 -0.18 0.00 -0.04 0.00 0.00 63.50 60.88 3d63 n PRO 28 Cb 0.35 -3.17 -0.17 0.00 -0.04 0.00 0.00 33.50 30.47 3d63 n PRO 28 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3d63 s VAL 29 N 3.07 0.06 -0.25 0.52 1.01 -1.26 -0.73 120.40 122.81 3d63 s VAL 29 Ca 0.52 0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.63 3d63 s VAL 29 Cb 0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.28 3d63 s VAL 29 CO -0.08 0.15 0.12 -0.75 0.00 0.00 0.00 175.10 174.55 3d63 s LYS 30 N 1.44 3.84 0.12 2.72 2.47 0.14 -4.96 119.74 125.50 3d63 s LYS 30 Ca -0.04 -0.38 0.05 0.00 -1.56 0.00 0.00 55.97 54.03 3d63 s LYS 30 Cb -0.13 -3.45 -0.04 0.00 -1.46 0.00 0.00 37.83 32.75 3d63 s LYS 30 CO -0.03 -0.10 0.07 0.71 0.16 0.00 0.00 175.35 176.16 3d63 s TYR 31 N 1.45 3.09 -0.05 4.03 2.02 -1.26 0.26 117.35 126.90 3d63 s TYR 31 Ca 0.06 0.00 0.00 0.00 -0.37 0.00 0.00 57.07 56.76 3d63 s TYR 31 Cb -0.15 -1.54 0.03 0.00 -0.40 0.00 0.00 41.96 39.89 3d63 s TYR 31 CO 0.06 0.51 -0.02 -2.00 -1.57 0.00 0.00 175.55 172.53 3d63 s GLU 32 N -2.66 0.58 0.09 -0.62 2.12 0.04 -4.88 118.70 113.38 3d63 s GLU 32 Ca 0.29 0.02 -0.31 0.00 0.36 0.00 0.00 54.97 55.33 3d63 s GLU 32 Cb -0.11 -0.75 -0.07 0.00 0.26 0.00 0.00 34.13 33.46 3d63 s GLU 32 CO 0.21 -0.16 1.33 0.00 -0.54 0.00 0.00 175.26 176.10 3d63 s ALA 33 N 1.23 3.53 -0.32 6.30 0.00 -1.26 -0.70 121.76 130.55 3d63 s ALA 33 Ca -0.06 1.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 3d63 s ALA 33 Cb -0.14 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 3d63 s ALA 33 CO -0.02 -0.58 0.19 0.34 0.00 0.00 0.00 175.76 175.69 3d63 s ASP 34 N 1.16 5.79 0.21 0.00 2.15 -0.13 -4.93 116.67 120.92 3d63 s ASP 34 Ca 0.63 -0.43 -0.05 0.00 0.43 0.00 0.00 52.55 53.13 3d63 s ASP 34 Cb -0.34 -2.07 0.18 0.00 -0.30 0.00 0.00 42.92 40.40 3d63 s ASP 34 CO 0.29 -0.19 1.65 0.07 -0.17 0.00 0.00 175.17 176.82 3d63 h LYS 35 N 8.41 0.84 0.69 4.34 2.10 -1.95 0.90 116.57 131.91 3d63 h LYS 35 Ca -0.32 -0.31 -0.03 0.00 -2.00 0.00 0.00 60.65 57.99 3d63 h LYS 35 Cb 1.16 -0.06 0.01 0.00 -0.90 0.00 0.00 32.23 32.44 3d63 h LYS 35 CO 0.62 0.93 -0.33 0.00 -2.00 0.00 0.00 179.45 178.67 3d63 h ALA 36 N 1.08 -1.11 0.00 0.07 0.00 -1.96 -3.23 119.26 114.11 3d63 h ALA 36 Ca 0.12 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3d63 h ALA 36 Cb 0.66 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3d63 h ALA 36 CO 0.05 -1.04 -0.24 -0.07 0.00 0.00 0.00 179.25 177.95 3d63 h LEU 37 N -1.04 0.00 -0.17 0.00 3.38 -1.96 -3.46 115.31 112.06 3d63 h LEU 37 Ca -0.10 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.63 3d63 h LEU 37 Cb 0.71 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.52 3d63 h LEU 37 CO 0.16 0.24 -0.39 0.61 0.09 0.00 0.00 178.44 179.14 3d63 n GLY 38 N 0.21 -0.01 3.16 0.83 0.00 0.30 -5.03 105.19 104.64 3d63 n GLY 38 Ca 0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 3d63 n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d63 s LEU 39 N -4.53 1.50 0.08 0.99 1.02 -1.14 -4.98 118.68 111.62 3d63 s LEU 39 Ca 0.26 -0.39 -0.31 0.00 0.02 0.00 0.00 54.13 53.72 3d63 s LEU 39 Cb -0.12 0.84 -0.07 0.00 0.02 0.00 0.00 46.19 46.86 3d63 s LEU 39 CO 0.32 -0.52 1.32 -0.76 0.02 0.00 0.00 176.35 176.73 3d63 s LEU 40 N -2.01 4.36 -0.09 1.79 1.43 -1.26 -0.96 118.68 121.94 3d63 s LEU 40 Ca -0.06 2.17 -0.01 0.00 -1.03 0.00 0.00 54.13 55.20 3d63 s LEU 40 Cb -0.02 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 3d63 s LEU 40 CO -0.03 -0.59 -0.04 -0.69 0.23 0.00 0.00 176.35 175.23 3d63 s VAL 41 N 1.29 3.97 -0.20 -1.59 1.01 0.13 -4.94 120.40 120.06 3d63 s VAL 41 Ca 0.62 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 3d63 s VAL 41 Cb -0.33 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.39 3d63 s VAL 41 CO 0.29 0.58 1.12 -0.69 0.00 0.00 0.00 175.10 176.41 3d63 s VAL 42 N -0.65 4.53 -0.18 2.92 1.01 -1.26 -0.78 120.40 125.99 3d63 s VAL 42 Ca 0.10 1.84 -0.14 0.00 0.00 0.00 0.00 61.98 63.78 3d63 s VAL 42 Cb -0.12 -4.19 -0.07 0.00 0.00 0.00 0.00 36.38 32.01 3d63 s VAL 42 CO 0.02 -0.16 -0.23 -0.67 0.00 0.00 0.00 175.10 174.06 3d63 n ASP 43 N 6.40 1.88 -3.56 3.32 -0.08 0.14 -4.94 116.55 119.71 3d63 n ASP 43 Ca 0.13 0.47 -0.12 0.00 -1.51 0.00 0.00 54.79 53.76 3d63 n ASP 43 Cb 0.46 -0.82 -0.05 0.00 2.34 0.00 0.00 41.12 43.04 3d63 n ASP 43 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 3d63 s ARG 44 N -2.54 0.73 -0.28 -0.67 3.52 -0.61 -5.00 118.95 114.10 3d63 s ARG 44 Ca -0.24 0.14 -0.22 0.00 -0.13 0.00 0.00 55.73 55.28 3d63 s ARG 44 Cb 0.04 0.34 -0.01 0.00 -1.56 0.00 0.00 34.95 33.77 3d63 s ARG 44 CO 0.36 -0.23 0.71 -0.06 -0.81 0.00 0.00 175.30 175.27 3d63 s PHE 45 N -1.29 3.24 0.15 5.12 0.08 -1.26 0.25 117.98 124.28 3d63 s PHE 45 Ca -0.03 0.81 -0.25 0.00 0.12 0.00 0.00 56.93 57.57 3d63 s PHE 45 Cb -0.00 -3.04 -0.08 0.00 -0.57 0.00 0.00 43.02 39.33 3d63 s PHE 45 CO 0.03 -0.46 0.77 0.42 -0.10 0.00 0.00 175.22 175.88 3d63 s ILE 46 N 2.74 4.40 0.00 0.64 1.01 0.09 -4.89 121.20 125.20 3d63 s ILE 46 Ca 0.29 1.68 0.00 0.00 0.00 0.00 0.00 60.65 62.62 3d63 s ILE 46 Cb -0.15 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.19 3d63 s ILE 46 CO 0.10 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.17 3d63 n GLY 47 N 1.65 3.33 0.08 6.18 0.00 -1.14 -3.05 105.19 112.23 3d63 n GLY 47 Ca -0.06 -0.16 0.01 0.00 0.00 0.00 0.00 46.02 45.81 3d63 n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3d63 n THR 48 N 0.00 0.12 0.00 2.61 -2.24 -1.25 -4.35 114.28 109.17 3d63 n THR 48 Ca 0.00 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3d63 n THR 48 Cb 0.00 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 3d63 n THR 48 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d63 n GLY 49 N 0.06 1.28 3.74 3.38 0.00 -1.17 -5.11 105.19 107.37 3d63 n GLY 49 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3d63 n GLY 49 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3d63 s MET 50 N -0.18 4.67 0.70 1.61 -2.45 -1.26 -4.85 119.30 117.54 3d63 s MET 50 Ca 0.00 1.36 -0.11 0.00 -1.25 0.00 0.00 55.69 55.69 3d63 s MET 50 Cb 0.00 -3.35 0.01 0.00 1.25 0.00 0.00 34.83 32.74 3d63 s MET 50 CO 0.00 0.29 1.07 1.03 1.05 0.00 0.00 175.02 178.46 3d63 s ARG 51 N -0.25 2.90 -0.01 4.11 0.52 -1.26 -4.47 118.95 120.49 3d63 s ARG 51 Ca 0.44 0.77 -0.30 0.00 -0.52 0.00 0.00 55.73 56.12 3d63 s ARG 51 Cb -0.23 -2.00 -0.08 0.00 0.52 0.00 0.00 34.95 33.16 3d63 s ARG 51 CO 0.28 -1.08 2.02 0.66 0.02 0.00 0.00 175.30 177.20 3d63 n TYR 52 N -3.09 2.42 1.77 -0.53 4.02 -1.10 -4.85 117.16 115.79 3d63 n TYR 52 Ca 0.07 -0.33 0.15 0.00 -0.01 0.00 0.00 57.90 57.78 3d63 n TYR 52 Cb 0.55 -2.79 0.75 0.00 -0.02 0.00 0.00 39.34 37.83 3d63 n TYR 52 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3d63 n PRO 53 N 7.72 1.31 -3.48 -0.72 -0.04 -1.26 0.11 135.00 138.64 3d63 n PRO 53 Ca 0.22 -0.45 -0.11 0.00 -0.04 0.00 0.00 63.50 63.12 3d63 n PRO 53 Cb 0.41 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 3d63 n PRO 53 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3d63 s VAL 54 N -2.00 0.00 0.22 0.52 0.11 -1.26 -4.85 120.40 113.14 3d63 s VAL 54 Ca 0.43 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.18 3d63 s VAL 54 Cb 0.21 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.98 3d63 s VAL 54 CO 0.35 0.00 1.18 0.20 -3.33 0.00 0.00 175.10 173.50 3d63 s ASN 55 N -2.32 7.11 -0.13 3.54 0.01 -0.90 -3.86 114.94 118.39 3d63 s ASN 55 Ca 0.01 2.28 0.02 0.00 -0.71 0.00 0.00 52.86 54.45 3d63 s ASN 55 Cb -0.01 -2.62 -0.00 0.00 0.41 0.00 0.00 41.25 39.03 3d63 s ASN 55 CO -0.07 -0.32 -0.18 -0.47 -1.51 0.00 0.00 177.10 174.54 3d63 s TYR 56 N -0.43 2.71 0.00 2.20 5.04 0.43 -0.30 117.35 127.00 3d63 s TYR 56 Ca 0.50 -0.95 0.00 0.00 -2.44 0.00 0.00 57.07 54.18 3d63 s TYR 56 Cb -0.33 -1.81 0.00 0.00 0.35 0.00 0.00 41.96 40.17 3d63 s TYR 56 CO 0.39 -0.39 0.00 0.41 -1.34 0.00 0.00 175.55 174.62 3d63 n GLY 57 N 3.72 3.35 3.02 8.97 0.00 0.68 0.21 105.19 125.13 3d63 n GLY 57 Ca -0.19 -1.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 3d63 n GLY 57 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3d63 s PHE 58 N -4.22 0.37 -0.13 1.61 -0.12 -0.04 -0.60 117.98 114.85 3d63 s PHE 58 Ca 0.00 -0.64 -0.26 0.00 -0.05 0.00 0.00 56.93 55.97 3d63 s PHE 58 Cb 0.00 -0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 42.11 3d63 s PHE 58 CO 0.00 -0.22 0.85 0.42 -0.05 0.00 0.00 175.22 176.23 3d63 s ILE 59 N -2.00 4.89 0.65 -4.49 1.01 -0.58 -0.62 121.20 120.07 3d63 s ILE 59 Ca -0.10 1.71 -0.12 0.00 0.00 0.00 0.00 60.65 62.14 3d63 s ILE 59 Cb -0.06 -4.17 -0.01 0.00 0.01 0.00 0.00 42.46 38.23 3d63 s ILE 59 CO -0.03 0.07 1.05 -2.16 0.00 0.00 0.00 174.94 173.87 3d63 s PRO 60 N 1.82 3.16 -1.44 2.79 0.04 -1.26 -3.68 135.00 136.42 3d63 s PRO 60 Ca 0.41 0.99 -0.09 0.00 0.04 0.00 0.00 61.00 62.36 3d63 s PRO 60 Cb -0.17 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.37 3d63 s PRO 60 CO 0.16 -0.92 0.98 1.04 0.04 0.00 0.00 177.00 178.29 3d63 n GLN 61 N -2.73 -6.58 -4.24 4.56 6.02 -1.26 -3.59 117.38 109.57 3d63 n GLN 61 Ca 0.08 0.79 -0.18 0.00 -0.01 0.00 0.00 57.00 57.68 3d63 n GLN 61 Cb 0.53 -5.76 -0.11 0.00 1.02 0.00 0.00 30.24 25.92 3d63 n GLN 61 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3d63 s THR 62 N -3.26 1.30 -0.11 5.09 -4.23 -1.24 -4.58 115.64 108.60 3d63 s THR 62 Ca 0.53 -1.70 -0.02 0.00 -1.18 0.00 0.00 61.69 59.32 3d63 s THR 62 Cb -0.24 -1.51 0.04 0.00 1.34 0.00 0.00 72.50 72.13 3d63 s THR 62 CO 0.65 -0.42 -0.00 -0.76 -0.54 0.00 0.00 174.62 173.54 3d63 s LEU 63 N -2.44 0.88 -0.11 4.79 1.43 -0.23 -4.32 118.68 118.68 3d63 s LEU 63 Ca 0.08 -0.34 0.05 0.00 -1.03 0.00 0.00 54.13 52.90 3d63 s LEU 63 Cb -0.05 -0.56 -0.24 0.00 0.03 0.00 0.00 46.19 45.37 3d63 s LEU 63 CO 0.03 -0.21 0.41 -0.24 0.23 0.00 0.00 176.35 176.56 3d63 n SER 64 N 5.08 1.34 -0.35 2.29 2.88 0.27 -4.28 113.62 120.85 3d63 n SER 64 Ca -0.08 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 3d63 n SER 64 Cb 0.49 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 3d63 n SER 64 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3d63 n GLY 65 N 1.80 3.97 3.67 0.46 0.00 -0.79 -4.29 105.19 110.01 3d63 n GLY 65 Ca -0.27 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 3d63 n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d63 s ASP 66 N 0.56 6.74 -1.44 1.61 1.01 0.14 -2.04 116.67 123.25 3d63 s ASP 66 Ca 0.00 2.19 -0.13 0.00 0.71 0.00 0.00 52.55 55.32 3d63 s ASP 66 Cb 0.00 -2.55 0.10 0.00 1.01 0.00 0.00 42.92 41.48 3d63 s ASP 66 CO 0.00 -0.84 0.65 0.61 0.21 0.00 0.00 175.17 175.80 3d63 n GLY 67 N 3.91 -0.48 2.61 0.21 0.00 -1.26 -4.90 105.19 105.27 3d63 n GLY 67 Ca 0.15 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 3d63 n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3d63 s ASP 68 N -2.96 3.42 1.01 1.61 -1.08 -0.87 -5.09 116.67 112.72 3d63 s ASP 68 Ca 0.54 -2.25 -0.14 0.00 -0.52 0.00 0.00 52.55 50.18 3d63 s ASP 68 Cb -0.29 -0.72 0.19 0.00 -1.46 0.00 0.00 42.92 40.64 3d63 s ASP 68 CO 0.67 -0.31 1.12 -2.16 0.52 0.00 0.00 175.17 175.00 3d63 s PRO 69 N 0.89 0.31 0.25 4.34 0.04 -1.26 0.94 135.00 140.51 3d63 s PRO 69 Ca 0.16 0.31 -0.30 0.00 0.04 0.00 0.00 61.00 61.21 3d63 s PRO 69 Cb -0.23 -1.74 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 3d63 s PRO 69 CO -0.05 -2.77 1.48 0.08 0.04 0.00 0.00 177.00 175.79 3d63 s VAL 70 N -3.09 2.53 -0.13 -0.36 1.01 -1.26 -4.45 120.40 114.65 3d63 s VAL 70 Ca 0.66 0.44 -0.11 0.00 0.00 0.00 0.00 61.98 62.97 3d63 s VAL 70 Cb -0.16 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 3d63 s VAL 70 CO 0.56 0.07 0.24 -0.62 0.00 0.00 0.00 175.10 175.35 3d63 s ASP 71 N 0.43 6.44 -0.07 3.32 -1.08 -1.26 -1.52 116.67 122.93 3d63 s ASP 71 Ca 0.61 0.52 -0.03 0.00 -0.52 0.00 0.00 52.55 53.13 3d63 s ASP 71 Cb -0.43 -2.14 0.04 0.00 -1.46 0.00 0.00 42.92 38.92 3d63 s ASP 71 CO 0.44 0.24 0.17 -0.69 0.52 0.00 0.00 175.17 175.84 3d63 s VAL 72 N -0.24 -0.08 -0.65 1.11 1.01 0.23 -1.25 120.40 120.54 3d63 s VAL 72 Ca 0.16 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.21 3d63 s VAL 72 Cb -0.13 -0.27 0.17 0.00 0.00 0.00 0.00 36.38 36.15 3d63 s VAL 72 CO 0.04 0.08 0.56 -0.76 0.00 0.00 0.00 175.10 175.03 3d63 s LEU 73 N 1.33 6.17 -0.21 3.92 1.43 0.26 -0.23 118.68 131.33 3d63 s LEU 73 Ca -0.08 -2.32 -0.27 0.00 -1.03 0.00 0.00 54.13 50.43 3d63 s LEU 73 Cb -0.11 -2.11 -0.00 0.00 0.03 0.00 0.00 46.19 43.99 3d63 s LEU 73 CO -0.06 -0.64 0.93 -0.69 0.23 0.00 0.00 176.35 176.11 3d63 s VAL 74 N 0.75 4.78 -0.26 -1.59 1.01 0.59 -1.92 120.40 123.76 3d63 s VAL 74 Ca 0.11 1.80 -0.16 0.00 0.00 0.00 0.00 61.98 63.73 3d63 s VAL 74 Cb -0.20 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 3d63 s VAL 74 CO -0.03 -0.09 0.44 -0.63 0.00 0.00 0.00 175.10 174.78 3d63 s ILE 75 N 2.79 5.13 0.01 2.22 1.01 0.21 -2.13 121.20 130.45 3d63 s ILE 75 Ca 0.40 0.72 -0.09 0.00 0.00 0.00 0.00 60.65 61.68 3d63 s ILE 75 Cb -0.16 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.56 3d63 s ILE 75 CO 0.09 0.14 0.19 0.42 0.00 0.00 0.00 174.94 175.77 3d63 s THR 76 N 2.08 0.09 -0.14 2.92 -4.23 -1.26 -4.11 115.64 110.98 3d63 s THR 76 Ca 0.18 -0.71 0.29 0.00 -1.18 0.00 0.00 61.69 60.27 3d63 s THR 76 Cb -0.16 -0.61 0.37 0.00 1.34 0.00 0.00 72.50 73.44 3d63 s THR 76 CO 0.09 -0.39 1.82 1.55 -0.54 0.00 0.00 174.62 177.15 3d63 h PRO 77 N 3.95 0.00 -3.86 3.99 0.13 -1.99 -3.43 132.00 130.78 3d63 h PRO 77 Ca -0.31 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.58 3d63 h PRO 77 Cb 1.19 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.04 3d63 h PRO 77 CO 0.43 0.00 -0.73 -0.06 -0.23 0.00 0.00 178.00 177.41 3d63 s PHE 78 N -3.46 0.11 0.80 1.56 0.08 -1.26 -5.15 117.98 110.66 3d63 s PHE 78 Ca 0.04 -0.05 -0.15 0.00 0.12 0.00 0.00 56.93 56.88 3d63 s PHE 78 Cb 0.07 -0.07 -0.01 0.00 -0.57 0.00 0.00 43.02 42.44 3d63 s PHE 78 CO 0.60 -0.01 0.49 -2.30 -0.10 0.00 0.00 175.22 173.90 3d63 n PRO 79 N 2.95 0.12 -4.81 0.24 -0.02 -1.26 -5.00 135.00 127.20 3d63 n PRO 79 Ca -0.13 0.08 -0.33 0.00 -2.02 0.00 0.00 63.50 61.11 3d63 n PRO 79 Cb 0.59 -1.85 -0.14 0.00 -0.02 0.00 0.00 33.50 32.09 3d63 n PRO 79 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3d63 s LEU 80 N -0.53 2.74 0.37 2.45 1.43 -1.26 -4.97 118.68 118.91 3d63 s LEU 80 Ca 0.63 -0.27 -0.26 0.00 -1.03 0.00 0.00 54.13 53.20 3d63 s LEU 80 Cb -0.30 -1.59 -0.12 0.00 0.03 0.00 0.00 46.19 44.21 3d63 s LEU 80 CO 0.61 0.24 1.10 0.18 0.23 0.00 0.00 176.35 178.71 3d63 n LEU 81 N 3.05 2.77 -4.76 1.79 4.77 -1.26 -4.20 117.00 119.16 3d63 n LEU 81 Ca -0.18 1.12 -0.40 0.00 -0.03 0.00 0.00 56.01 56.52 3d63 n LEU 81 Cb 0.53 -1.38 -0.04 0.00 -2.33 0.00 0.00 43.42 40.20 3d63 n LEU 81 CO 0.29 -1.15 0.83 0.00 -1.33 0.00 0.00 177.39 176.03 3d63 s ALA 82 N -1.17 3.39 0.00 -1.18 0.00 -1.26 -2.28 121.76 119.25 3d63 s ALA 82 Ca 0.60 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.52 3d63 s ALA 82 Cb -0.59 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.18 3d63 s ALA 82 CO 0.59 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.48 3d63 n GLY 83 N 1.03 0.55 3.89 0.00 0.00 0.75 -5.00 105.19 106.41 3d63 n GLY 83 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3d63 n GLY 83 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d63 s SER 84 N -2.18 6.56 -0.17 1.61 1.04 -0.97 -4.85 113.70 114.74 3d63 s SER 84 Ca 0.00 0.84 -0.04 0.00 0.48 0.00 0.00 55.95 57.23 3d63 s SER 84 Cb 0.00 -2.19 -0.03 0.00 0.10 0.00 0.00 66.02 63.90 3d63 s SER 84 CO 0.00 -0.11 -0.03 -0.69 0.98 0.00 0.00 173.24 173.39 3d63 s VAL 85 N -1.90 3.88 -0.05 5.02 1.01 -1.26 -0.45 120.40 126.65 3d63 s VAL 85 Ca 0.46 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.11 3d63 s VAL 85 Cb -0.11 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.56 3d63 s VAL 85 CO 0.24 0.48 -0.14 0.54 0.00 0.00 0.00 175.10 176.22 3d63 s VAL 86 N 0.54 1.19 -0.10 2.92 0.11 -0.00 -4.96 120.40 120.10 3d63 s VAL 86 Ca -0.03 -0.55 -0.30 0.00 -2.93 0.00 0.00 61.98 58.18 3d63 s VAL 86 Cb -0.14 -1.06 -0.01 0.00 -1.53 0.00 0.00 36.38 33.64 3d63 s VAL 86 CO 0.03 0.36 1.01 -0.60 -3.33 0.00 0.00 175.10 172.56 3d63 s ARG 87 N 0.36 4.43 0.31 1.54 3.52 -1.26 -0.85 118.95 127.01 3d63 s ARG 87 Ca -0.09 1.40 0.03 0.00 -0.13 0.00 0.00 55.73 56.94 3d63 s ARG 87 Cb -0.13 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 3d63 s ARG 87 CO 0.03 -0.31 0.16 0.00 -0.81 0.00 0.00 175.30 174.37 3d63 s ALA 88 N 1.99 2.03 0.06 6.12 0.00 0.16 -0.87 121.76 131.25 3d63 s ALA 88 Ca 0.49 -1.74 -0.02 0.00 0.00 0.00 0.00 51.96 50.69 3d63 s ALA 88 Cb -0.18 1.12 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 3d63 s ALA 88 CO 0.18 -0.50 0.00 -0.98 0.00 0.00 0.00 175.76 174.47 3d63 s ARG 89 N -3.80 0.67 0.15 0.00 1.70 -0.41 -2.26 118.95 115.00 3d63 s ARG 89 Ca 0.35 -1.22 -0.14 0.00 -0.47 0.00 0.00 55.73 54.25 3d63 s ARG 89 Cb 0.05 0.23 -0.07 0.00 -0.57 0.00 0.00 34.95 34.59 3d63 s ARG 89 CO 0.18 -0.14 0.54 0.00 -1.08 0.00 0.00 175.30 174.80 3d63 s ALA 90 N -3.93 3.58 -0.01 7.88 0.00 -1.26 -1.88 121.76 126.14 3d63 s ALA 90 Ca 0.09 -0.14 0.08 0.00 0.00 0.00 0.00 51.96 51.98 3d63 s ALA 90 Cb 0.08 -2.51 -0.12 0.00 0.00 0.00 0.00 23.12 20.56 3d63 s ALA 90 CO -0.09 0.46 0.17 1.28 0.00 0.00 0.00 175.76 177.58 3d63 n LEU 91 N 0.78 0.00 0.00 0.00 4.77 0.22 -4.83 117.00 117.94 3d63 n LEU 91 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3d63 n LEU 91 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3d63 n LEU 91 CO 0.42 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3d63 n GLY 92 N 2.07 0.43 3.30 -0.72 0.00 -1.20 -2.27 105.19 106.81 3d63 n GLY 92 Ca -0.02 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 3d63 n GLY 92 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3d63 s MET 93 N -2.00 0.85 -0.16 1.61 -1.94 0.36 -1.34 119.30 116.68 3d63 s MET 93 Ca 0.00 -0.31 -0.02 0.00 -1.71 0.00 0.00 55.69 53.64 3d63 s MET 93 Cb 0.00 0.38 -0.02 0.00 2.01 0.00 0.00 34.83 37.20 3d63 s MET 93 CO 0.00 -0.28 -0.08 -1.17 -0.01 0.00 0.00 175.02 173.49 3d63 s LEU 94 N -1.81 2.94 -0.15 -0.03 2.96 -0.33 -0.60 118.68 121.66 3d63 s LEU 94 Ca -0.07 -0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 53.52 3d63 s LEU 94 Cb -0.02 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 3d63 s LEU 94 CO -0.00 0.12 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.59 3d63 s LYS 95 N 0.64 3.64 0.02 1.98 1.02 0.14 -0.78 119.74 126.40 3d63 s LYS 95 Ca -0.04 -0.48 0.02 0.00 0.02 0.00 0.00 55.97 55.48 3d63 s LYS 95 Cb -0.15 -2.94 -0.02 0.00 -0.52 0.00 0.00 37.83 34.20 3d63 s LYS 95 CO 0.03 0.30 -0.07 1.41 -0.92 0.00 0.00 175.35 176.10 3d63 s MET 96 N 0.21 0.48 -0.15 1.68 1.75 -0.66 0.53 119.30 123.14 3d63 s MET 96 Ca -0.01 -0.54 0.00 0.00 -1.25 0.00 0.00 55.69 53.90 3d63 s MET 96 Cb -0.14 -0.33 -0.01 0.00 2.84 0.00 0.00 34.83 37.20 3d63 s MET 96 CO 0.02 0.07 -0.14 0.99 -0.65 0.00 0.00 175.02 175.31 3d63 s THR 97 N -0.90 2.83 0.50 10.11 2.01 0.17 -0.46 115.64 129.90 3d63 s THR 97 Ca -0.05 -0.72 0.07 0.00 0.31 0.00 0.00 61.69 61.29 3d63 s THR 97 Cb -0.07 -2.19 0.04 0.00 0.01 0.00 0.00 72.50 70.29 3d63 s THR 97 CO 0.00 0.52 0.68 -1.81 -0.69 0.00 0.00 174.62 173.32 3d63 s ASP 98 N 0.64 5.38 0.00 3.53 1.01 0.10 0.25 116.67 127.59 3d63 s ASP 98 Ca -0.08 -0.45 0.12 0.00 0.71 0.00 0.00 52.55 52.85 3d63 s ASP 98 Cb -0.16 -0.43 0.70 0.00 1.01 0.00 0.00 42.92 44.05 3d63 s ASP 98 CO 0.03 -1.03 1.25 -1.84 0.21 0.00 0.00 175.17 173.79 3d63 n GLU 99 N -2.09 0.74 -0.34 8.23 0.00 -1.17 -2.66 120.64 123.35 3d63 n GLU 99 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.27 3d63 n GLU 99 Cb 0.60 -1.25 0.00 0.00 0.00 0.00 0.00 31.44 30.79 3d63 n GLU 99 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3d63 n SER 100 N -0.75 0.10 0.00 -1.84 2.88 -1.26 -5.05 113.62 107.70 3d63 n SER 100 Ca 0.09 -1.75 0.00 0.00 -1.33 0.00 0.00 58.87 55.88 3d63 n SER 100 Cb 0.04 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 3d63 n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3d63 n GLY 101 N -0.05 -0.57 3.72 0.46 0.00 -1.09 -4.32 105.19 103.33 3d63 n GLY 101 Ca 0.01 -2.20 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 3d63 n GLY 101 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d63 s VAL 102 N 0.00 4.58 -0.28 1.61 -7.23 -1.26 0.03 120.40 117.85 3d63 s VAL 102 Ca 0.00 1.91 0.02 0.00 -1.81 0.00 0.00 61.98 62.10 3d63 s VAL 102 Cb 0.00 -4.22 0.08 0.00 0.56 0.00 0.00 36.38 32.79 3d63 s VAL 102 CO 0.00 0.18 -0.01 -0.62 -0.31 0.00 0.00 175.10 174.34 3d63 s ASP 103 N 0.80 4.18 -0.32 4.85 -1.08 0.39 -3.40 116.67 122.10 3d63 s ASP 103 Ca 0.52 -1.53 -0.08 0.00 -0.52 0.00 0.00 52.55 50.94 3d63 s ASP 103 Cb -0.24 -1.28 0.01 0.00 -1.46 0.00 0.00 42.92 39.95 3d63 s ASP 103 CO 0.29 -0.30 0.13 0.00 0.52 0.00 0.00 175.17 175.81 3d63 s ALA 104 N 1.27 3.18 -0.20 3.66 0.00 -1.26 -1.66 121.76 126.75 3d63 s ALA 104 Ca 0.01 -1.49 -0.13 0.00 0.00 0.00 0.00 51.96 50.35 3d63 s ALA 104 Cb -0.19 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.57 3d63 s ALA 104 CO -0.10 -1.01 0.25 0.15 0.00 0.00 0.00 175.76 175.05 3d63 s LYS 105 N 1.54 4.17 0.29 0.00 -0.14 0.04 -4.73 119.74 120.92 3d63 s LYS 105 Ca 0.03 -0.05 -0.29 0.00 -1.36 0.00 0.00 55.97 54.30 3d63 s LYS 105 Cb -0.18 -3.48 -0.10 0.00 -1.68 0.00 0.00 37.83 32.39 3d63 s LYS 105 CO 0.05 0.13 1.15 -1.17 -0.76 0.00 0.00 175.35 174.74 3d63 s LEU 106 N 0.82 4.51 -0.00 3.17 0.20 -0.38 -1.18 118.68 125.82 3d63 s LEU 106 Ca 0.13 2.36 0.04 0.00 0.69 0.00 0.00 54.13 57.35 3d63 s LEU 106 Cb -0.13 -3.65 -0.03 0.00 -0.43 0.00 0.00 46.19 41.95 3d63 s LEU 106 CO 0.04 -0.24 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.05 3d63 s VAL 107 N -1.17 3.29 0.08 1.68 1.01 -0.45 -0.58 120.40 124.26 3d63 s VAL 107 Ca 0.46 -0.86 -0.24 0.00 0.00 0.00 0.00 61.98 61.35 3d63 s VAL 107 Cb -0.34 -2.38 0.06 0.00 0.00 0.00 0.00 36.38 33.72 3d63 s VAL 107 CO 0.43 0.44 0.57 0.00 0.00 0.00 0.00 175.10 176.54 3d63 s ALA 108 N -0.91 -1.49 0.37 5.51 0.00 -0.81 -0.61 121.76 123.83 3d63 s ALA 108 Ca 0.15 0.63 0.06 0.00 0.00 0.00 0.00 51.96 52.80 3d63 s ALA 108 Cb -0.11 0.55 -0.07 0.00 0.00 0.00 0.00 23.12 23.49 3d63 s ALA 108 CO 0.05 -0.60 0.01 0.14 0.00 0.00 0.00 175.76 175.36 3d63 s VAL 109 N -2.89 1.76 0.63 0.00 -7.23 -0.79 0.64 120.40 112.53 3d63 s VAL 109 Ca -0.03 -2.02 -0.09 0.00 -1.81 0.00 0.00 61.98 58.02 3d63 s VAL 109 Cb -0.00 -2.88 0.14 0.00 0.56 0.00 0.00 36.38 34.20 3d63 s VAL 109 CO -0.05 -0.04 0.86 -2.65 -0.31 0.00 0.00 175.10 172.91 3d63 n PRO 110 N -0.85 -0.69 -1.93 4.82 -0.02 -1.26 -1.29 135.00 133.78 3d63 n PRO 110 Ca -0.04 -1.49 -0.38 0.00 -2.02 0.00 0.00 63.50 59.57 3d63 n PRO 110 Cb 0.66 -0.84 0.03 0.00 -0.02 0.00 0.00 33.50 33.33 3d63 n PRO 110 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3d63 s HIS 111 N -2.80 2.45 -0.52 6.00 5.65 -0.05 -4.48 115.29 121.54 3d63 s HIS 111 Ca 0.50 1.43 0.17 0.00 0.25 0.00 0.00 55.06 57.42 3d63 s HIS 111 Cb -0.02 -3.66 0.84 0.00 -1.18 0.00 0.00 32.58 28.57 3d63 s HIS 111 CO 0.35 -2.46 1.53 -0.25 -0.65 0.00 0.00 174.74 173.26 3d63 n ASP 112 N -0.96 0.43 -0.26 9.88 8.00 -1.26 -0.85 116.55 131.52 3d63 n ASP 112 Ca 0.10 0.66 0.06 0.00 0.71 0.00 0.00 54.79 56.32 3d63 n ASP 112 Cb 0.46 -0.73 -0.01 0.00 -0.02 0.00 0.00 41.12 40.83 3d63 n ASP 112 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3d63 n LYS 113 N -2.03 2.02 -0.07 -1.24 4.01 -1.26 -2.89 118.16 116.70 3d63 n LYS 113 Ca 0.00 -0.62 -0.21 0.00 -0.51 0.00 0.00 58.31 56.97 3d63 n LYS 113 Cb 0.10 -1.16 -0.13 0.00 -0.51 0.00 0.00 35.03 33.34 3d63 n LYS 113 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3d63 n VAL 114 N -0.32 1.63 -3.57 -0.18 0.31 -0.03 -4.81 118.33 111.36 3d63 n VAL 114 Ca 0.05 -0.50 -0.29 0.00 -0.01 0.00 0.00 64.34 63.58 3d63 n VAL 114 Cb 0.26 -1.71 -0.13 0.00 -0.91 0.00 0.00 33.84 31.35 3d63 n VAL 114 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d63 h PRO 116 N 7.11 0.00 0.00 0.00 0.11 -1.77 -3.04 132.00 134.41 3d63 h PRO 116 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3d63 h PRO 116 Cb 0.96 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 3d63 h PRO 116 CO 0.37 0.05 -0.11 0.00 -0.21 0.00 0.00 178.00 178.10 3d63 h MET 117 N 0.00 0.00 -0.03 1.05 -0.00 -1.93 -2.61 114.93 111.42 3d63 h MET 117 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3d63 h MET 117 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.82 3d63 h MET 117 CO 0.01 0.11 -0.05 0.25 -0.00 0.00 0.00 176.91 177.22 3d63 n THR 118 N -3.27 0.00 -0.21 -0.10 -2.24 -1.15 -4.43 114.28 102.88 3d63 n THR 118 Ca 0.00 -0.47 0.21 0.00 -2.27 0.00 0.00 64.05 61.52 3d63 n THR 118 Cb 0.35 1.47 0.57 0.00 -2.10 0.00 0.00 70.33 70.61 3d63 n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d63 h ALA 119 N 4.62 2.37 0.00 6.98 0.00 -1.59 0.15 119.26 131.79 3d63 h ALA 119 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3d63 h ALA 119 Cb 0.97 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3d63 h ALA 119 CO 0.00 -0.64 0.00 0.27 0.00 0.00 0.00 179.25 178.88 3d63 n ASN 120 N -4.45 0.00 -4.42 0.00 6.94 -1.26 -4.62 115.26 107.44 3d63 n ASN 120 Ca 0.19 -0.36 -0.42 0.00 -0.02 0.00 0.00 54.58 53.97 3d63 n ASN 120 Cb 0.75 -0.19 -0.11 0.00 -2.36 0.00 0.00 39.78 37.87 3d63 n ASN 120 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3d63 s LEU 121 N -2.39 4.88 -0.10 -4.53 1.43 0.52 -4.89 118.68 113.61 3d63 s LEU 121 Ca 0.32 -0.91 0.12 0.00 -1.03 0.00 0.00 54.13 52.62 3d63 s LEU 121 Cb 0.19 -2.09 -0.17 0.00 0.03 0.00 0.00 46.19 44.15 3d63 s LEU 121 CO 0.40 -0.41 0.10 0.29 0.23 0.00 0.00 176.35 176.96 3d63 n LYS 122 N 5.08 1.56 -3.84 1.70 4.76 -1.26 -5.01 118.16 121.14 3d63 n LYS 122 Ca -0.11 -0.03 -0.06 0.00 -2.87 0.00 0.00 58.31 55.23 3d63 n LYS 122 Cb 0.47 -1.33 0.02 0.00 -1.84 0.00 0.00 35.03 32.35 3d63 n LYS 122 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3d63 s SER 123 N -4.35 0.01 0.01 4.39 1.04 -1.26 -4.74 113.70 108.79 3d63 s SER 123 Ca -0.06 -0.96 0.18 0.00 0.48 0.00 0.00 55.95 55.59 3d63 s SER 123 Cb 0.05 0.71 0.78 0.00 0.10 0.00 0.00 66.02 67.66 3d63 s SER 123 CO 0.54 -1.41 1.58 -0.38 0.98 0.00 0.00 173.24 174.55 3d63 n ILE 124 N -0.60 0.75 0.30 -1.02 2.08 -0.96 0.11 119.36 120.02 3d63 n ILE 124 Ca -0.06 0.19 0.12 0.00 0.56 0.00 0.00 62.75 63.55 3d63 n ILE 124 Cb 0.60 -0.88 0.14 0.00 -0.75 0.00 0.00 39.64 38.74 3d63 n ILE 124 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 3d63 h ASP 125 N 0.00 0.00 1.41 4.38 3.32 -1.96 -3.16 116.42 120.41 3d63 h ASP 125 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3d63 h ASP 125 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3d63 h ASP 125 CO 0.00 0.02 -0.42 0.44 -1.72 0.00 0.00 179.24 177.57 3d63 h ASP 126 N 0.00 0.00 -3.18 6.45 3.32 0.44 -3.46 116.42 119.99 3d63 h ASP 126 Ca 0.00 -0.04 -0.54 0.00 0.02 0.00 0.00 57.03 56.47 3d63 h ASP 126 Cb 0.92 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 3d63 h ASP 126 CO 0.00 0.02 0.59 -0.69 -1.72 0.00 0.00 179.24 177.44 3d63 s VAL 127 N -3.23 4.25 0.61 -1.35 1.01 -1.19 -4.93 120.40 115.56 3d63 s VAL 127 Ca 0.05 1.60 -0.18 0.00 0.00 0.00 0.00 61.98 63.45 3d63 s VAL 127 Cb 0.09 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 3d63 s VAL 127 CO 0.70 0.08 0.92 -2.65 0.00 0.00 0.00 175.10 174.15 3d63 n PRO 128 N 4.42 0.83 -0.22 2.72 -0.02 -1.26 -4.79 135.00 136.69 3d63 n PRO 128 Ca 0.09 0.33 0.01 0.00 -2.02 0.00 0.00 63.50 61.91 3d63 n PRO 128 Cb 0.47 -2.13 0.25 0.00 -0.02 0.00 0.00 33.50 32.07 3d63 n PRO 128 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d63 h ALA 129 N 0.41 1.47 -0.56 3.55 0.00 -1.94 -1.81 119.26 120.39 3d63 h ALA 129 Ca -0.48 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 3d63 h ALA 129 Cb 1.37 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3d63 h ALA 129 CO 0.50 0.49 0.06 -0.92 0.00 0.00 0.00 179.25 179.38 3d63 h TYR 130 N 1.01 1.01 -0.13 0.00 3.20 -1.99 -1.24 116.97 118.83 3d63 h TYR 130 Ca 0.28 -0.15 -0.19 0.00 3.14 0.00 0.00 58.73 61.80 3d63 h TYR 130 Cb -0.11 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 37.89 3d63 h TYR 130 CO -0.00 0.90 -0.71 1.25 -1.64 0.00 0.00 178.16 177.96 3d63 h LEU 131 N 0.83 0.66 -1.18 2.82 5.85 -1.78 -2.71 115.31 119.79 3d63 h LEU 131 Ca 0.17 -0.41 -0.08 0.00 0.84 0.00 0.00 57.88 58.39 3d63 h LEU 131 Cb 0.45 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3d63 h LEU 131 CO 0.02 1.17 -0.30 0.11 -0.34 0.00 0.00 178.44 179.10 3d63 h LYS 132 N 0.39 0.18 0.00 1.25 1.57 -0.99 -1.62 116.57 117.35 3d63 h LYS 132 Ca -0.03 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.55 3d63 h LYS 132 Cb 1.29 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 3d63 h LYS 132 CO 0.13 0.47 -0.70 0.22 -0.57 0.00 0.00 179.45 179.00 3d63 h ASP 133 N 0.16 0.00 0.98 0.86 3.58 -1.10 -2.95 116.42 117.95 3d63 h ASP 133 Ca 0.02 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.26 3d63 h ASP 133 Cb 0.62 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.64 3d63 h ASP 133 CO 0.04 0.64 -1.03 1.56 -2.88 0.00 0.00 179.24 177.57 3d63 h GLN 134 N 0.00 0.00 0.14 0.28 4.20 -1.00 -1.74 115.11 116.99 3d63 h GLN 134 Ca -0.02 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.39 3d63 h GLN 134 Cb 1.50 0.00 0.03 0.00 0.30 0.00 0.00 27.48 29.31 3d63 h GLN 134 CO 0.08 0.96 -1.27 0.82 -0.67 0.00 0.00 178.83 178.75 3d63 h ILE 135 N 0.00 1.30 0.00 2.54 2.04 -1.34 -1.08 117.51 120.97 3d63 h ILE 135 Ca -0.03 -2.54 -0.13 0.00 1.00 0.00 0.00 64.86 63.16 3d63 h ILE 135 Cb 1.77 2.75 -0.02 0.00 -0.74 0.00 0.00 36.82 40.58 3d63 h ILE 135 CO 0.13 0.77 -0.80 0.07 0.00 0.00 0.00 178.15 178.31 3d63 h LYS 136 N 0.24 0.00 -0.18 2.37 2.10 -1.57 -3.07 116.57 116.46 3d63 h LYS 136 Ca -0.19 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.26 3d63 h LYS 136 Cb 1.95 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.28 3d63 h LYS 136 CO 0.24 0.48 -0.67 1.25 -2.00 0.00 0.00 179.45 178.75 3d63 h HIS 137 N 0.00 0.92 -0.33 0.07 2.76 -1.32 -1.52 115.15 115.74 3d63 h HIS 137 Ca -0.05 -0.37 0.07 0.00 -2.20 0.00 0.00 60.37 57.82 3d63 h HIS 137 Cb 1.47 -0.16 -0.08 0.00 1.55 0.00 0.00 27.41 30.19 3d63 h HIS 137 CO 0.00 1.17 -0.30 0.35 -1.30 0.00 0.00 177.93 177.85 3d63 h PHE 138 N 0.51 -0.81 0.00 5.26 3.57 -1.11 -2.42 116.94 121.94 3d63 h PHE 138 Ca -0.02 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 3d63 h PHE 138 Cb 1.26 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 40.40 3d63 h PHE 138 CO 0.07 -0.36 -0.29 0.74 -2.23 0.00 0.00 178.31 176.23 3d63 h PHE 139 N -0.26 0.00 -0.13 0.41 0.04 -1.42 -1.39 116.94 114.18 3d63 h PHE 139 Ca 0.16 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.85 3d63 h PHE 139 Cb 0.52 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 3d63 h PHE 139 CO -0.48 0.29 -0.27 0.93 -0.60 0.00 0.00 178.31 178.18 3d63 h GLU 140 N 0.00 0.24 -0.00 1.51 5.08 -0.79 -3.27 114.58 117.34 3d63 h GLU 140 Ca -0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3d63 h GLU 140 Cb 0.77 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3d63 h GLU 140 CO 0.04 0.49 -0.40 0.00 -1.00 0.00 0.00 179.01 178.14 3d63 n GLN 141 N -4.15 2.41 0.00 2.33 -0.00 -0.62 -4.69 117.38 112.66 3d63 n GLN 141 Ca -0.01 -0.38 0.15 0.00 -0.00 0.00 0.00 57.00 56.76 3d63 n GLN 141 Cb 0.37 -1.12 0.71 0.00 -0.00 0.00 0.00 30.24 30.20 3d63 n GLN 141 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 3d63 n TYR 142 N -0.69 0.00 -0.26 2.61 -0.00 -0.66 -1.98 117.16 116.18 3d63 n TYR 142 Ca 0.04 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 57.99 3d63 n TYR 142 Cb 0.23 -0.25 0.13 0.00 -0.00 0.00 0.00 39.34 39.45 3d63 n TYR 142 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 3d63 n LYS 143 N -1.20 2.85 0.11 -3.48 5.02 -1.26 -2.90 118.16 117.30 3d63 n LYS 143 Ca 0.14 -2.04 0.16 0.00 -2.02 0.00 0.00 58.31 54.55 3d63 n LYS 143 Cb 0.25 -1.29 0.70 0.00 -0.02 0.00 0.00 35.03 34.68 3d63 n LYS 143 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3d63 h ALA 144 N 1.50 2.24 0.00 7.82 0.00 -1.66 -2.44 119.26 126.72 3d63 h ALA 144 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3d63 h ALA 144 Cb 0.77 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3d63 h ALA 144 CO 0.03 -0.41 -0.71 1.37 0.00 0.00 0.00 179.25 179.53 3d63 h LEU 145 N 0.00 0.00 -8.39 0.00 -0.00 -1.84 -3.47 115.31 101.61 3d63 h LEU 145 Ca 0.15 -0.20 -0.66 0.00 -0.00 0.00 0.00 57.88 57.17 3d63 h LEU 145 Cb 0.65 0.00 -0.27 0.00 -0.00 0.00 0.00 40.66 41.03 3d63 h LEU 145 CO -0.00 0.10 -0.69 -1.61 -0.00 0.00 0.00 178.44 176.23 3d63 s GLU 146 N -3.20 3.27 0.01 0.17 2.02 -0.92 -5.05 118.70 115.00 3d63 s GLU 146 Ca 0.05 -0.71 -0.37 0.00 0.02 0.00 0.00 54.97 53.96 3d63 s GLU 146 Cb 0.13 -3.12 -0.17 0.00 0.10 0.00 0.00 34.13 31.07 3d63 s GLU 146 CO 0.74 -0.28 1.42 0.36 0.02 0.00 0.00 175.26 177.52 3d63 n LYS 147 N 4.81 1.14 -0.31 1.61 -0.00 -1.26 -0.57 118.16 123.57 3d63 n LYS 147 Ca -0.17 0.41 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 3d63 n LYS 147 Cb 0.50 -2.06 0.00 0.00 -0.00 0.00 0.00 35.03 33.46 3d63 n LYS 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3d63 n GLY 148 N 2.86 1.96 3.83 2.58 0.00 -1.26 -5.00 105.19 110.17 3d63 n GLY 148 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 3d63 n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d63 s LYS 149 N -0.15 3.72 0.08 1.61 1.02 0.26 -4.87 119.74 121.42 3d63 s LYS 149 Ca 0.00 -0.11 -0.15 0.00 0.02 0.00 0.00 55.97 55.73 3d63 s LYS 149 Cb 0.00 -3.27 0.03 0.00 -0.52 0.00 0.00 37.83 34.07 3d63 s LYS 149 CO 0.00 0.61 0.36 1.67 -0.92 0.00 0.00 175.35 177.08 3d63 s TRP 150 N -0.57 -0.17 0.12 3.18 1.48 -1.26 -4.75 118.94 116.97 3d63 s TRP 150 Ca 0.14 -0.05 0.07 0.00 -1.06 0.00 0.00 56.10 55.20 3d63 s TRP 150 Cb -0.12 0.18 -0.04 0.00 -1.16 0.00 0.00 33.47 32.33 3d63 s TRP 150 CO 0.03 -0.61 -0.16 0.08 -4.06 0.00 0.00 176.95 172.23 3d63 s VAL 151 N -3.19 1.49 -0.30 -0.66 1.01 -1.26 -3.06 120.40 114.43 3d63 s VAL 151 Ca -0.01 -1.66 -0.03 0.00 0.00 0.00 0.00 61.98 60.28 3d63 s VAL 151 Cb 0.01 -1.53 0.11 0.00 0.00 0.00 0.00 36.38 34.96 3d63 s VAL 151 CO -0.07 -0.29 0.16 -0.75 0.00 0.00 0.00 175.10 174.14 3d63 s LYS 152 N -2.39 0.25 -0.10 2.72 2.47 0.14 -4.95 119.74 117.88 3d63 s LYS 152 Ca 0.08 -0.60 -0.30 0.00 -1.56 0.00 0.00 55.97 53.59 3d63 s LYS 152 Cb -0.07 -1.13 -0.02 0.00 -1.46 0.00 0.00 37.83 35.15 3d63 s LYS 152 CO 0.04 -1.05 1.21 0.08 0.16 0.00 0.00 175.35 175.79 3d63 s VAL 153 N 1.98 4.29 -0.15 4.02 1.01 -1.26 0.42 120.40 130.72 3d63 s VAL 153 Ca 0.10 1.60 0.08 0.00 0.00 0.00 0.00 61.98 63.76 3d63 s VAL 153 Cb -0.17 -4.03 -0.23 0.00 0.00 0.00 0.00 36.38 31.95 3d63 s VAL 153 CO -0.31 -0.05 0.24 -0.62 0.00 0.00 0.00 175.10 174.36 3d63 n GLU 154 N 5.67 0.68 0.00 2.72 -0.58 0.19 -4.94 120.64 124.37 3d63 n GLU 154 Ca 0.12 0.17 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 3d63 n GLU 154 Cb 0.46 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 3d63 n GLU 154 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3d63 n GLY 155 N 1.85 0.89 3.87 0.62 0.00 -1.02 -4.98 105.19 106.41 3d63 n GLY 155 Ca -0.31 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.38 3d63 n GLY 155 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3d63 s TRP 156 N -1.79 3.63 0.35 1.61 0.52 -1.26 0.27 118.94 122.27 3d63 s TRP 156 Ca 0.00 0.67 0.09 0.00 0.02 0.00 0.00 56.10 56.88 3d63 s TRP 156 Cb 0.00 -2.05 -0.07 0.00 -1.15 0.00 0.00 33.47 30.20 3d63 s TRP 156 CO 0.00 0.67 -0.07 0.34 0.02 0.00 0.00 176.95 177.91 3d63 s ASP 157 N -1.28 3.71 0.46 2.95 -1.08 0.23 -4.94 116.67 116.72 3d63 s ASP 157 Ca 0.22 -1.23 0.03 0.00 -0.52 0.00 0.00 52.55 51.04 3d63 s ASP 157 Cb -0.14 -0.35 0.07 0.00 -1.46 0.00 0.00 42.92 41.04 3d63 s ASP 157 CO 0.11 -0.26 0.53 0.61 0.52 0.00 0.00 175.17 176.68 3d63 n GLY 158 N -0.82 1.35 0.20 2.66 0.00 -1.26 0.14 105.19 107.46 3d63 n GLY 158 Ca -0.05 -2.10 0.06 0.00 0.00 0.00 0.00 46.02 43.94 3d63 n GLY 158 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3d63 h ILE 159 N -0.22 0.91 -0.14 -0.61 2.10 -1.90 -1.13 117.51 116.52 3d63 h ILE 159 Ca -0.18 -1.23 -0.04 0.00 1.08 0.00 0.00 64.86 64.49 3d63 h ILE 159 Cb 0.73 1.73 -0.00 0.00 -1.09 0.00 0.00 36.82 38.19 3d63 h ILE 159 CO 0.22 0.31 -0.08 0.44 -1.08 0.00 0.00 178.15 177.96 3d63 h ASP 160 N 0.00 0.31 -0.44 2.19 3.32 -1.93 -1.03 116.42 118.84 3d63 h ASP 160 Ca -0.00 -0.43 -0.06 0.00 0.02 0.00 0.00 57.03 56.56 3d63 h ASP 160 Cb 0.71 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 3d63 h ASP 160 CO 0.04 0.68 0.09 0.00 -1.72 0.00 0.00 179.24 178.33 3d63 h ALA 161 N 0.64 1.20 -0.57 3.45 0.00 -1.72 -1.73 119.26 120.53 3d63 h ALA 161 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3d63 h ALA 161 Cb 0.57 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3d63 h ALA 161 CO 0.02 0.54 0.37 0.00 0.00 0.00 0.00 179.25 180.18 3d63 h ALA 162 N 1.34 0.72 0.00 0.00 0.00 -0.96 -1.86 119.26 118.50 3d63 h ALA 162 Ca 0.16 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3d63 h ALA 162 Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3d63 h ALA 162 CO 0.00 0.17 -0.65 0.45 0.00 0.00 0.00 179.25 179.23 3d63 h HIS 163 N 0.77 0.00 -0.07 0.00 -0.00 -0.54 -2.41 115.15 112.90 3d63 h HIS 163 Ca 0.21 0.00 -0.22 0.00 -0.00 0.00 0.00 60.37 60.36 3d63 h HIS 163 Cb -0.07 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.35 3d63 h HIS 163 CO -0.03 0.65 -0.85 -0.22 -0.00 0.00 0.00 177.93 177.48 3d63 h LYS 164 N 0.00 0.59 -0.05 2.45 3.64 -1.17 -2.54 116.57 119.49 3d63 h LYS 164 Ca -0.01 -0.54 -0.06 0.00 -1.27 0.00 0.00 60.65 58.77 3d63 h LYS 164 Cb 1.19 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 3d63 h LYS 164 CO 0.08 1.16 -0.25 1.49 -2.27 0.00 0.00 179.45 179.66 3d63 h GLU 165 N 0.38 0.08 -0.10 1.90 4.57 -0.93 -1.71 114.58 118.77 3d63 h GLU 165 Ca -0.07 -0.02 -0.19 0.00 -1.18 0.00 0.00 59.36 57.90 3d63 h GLU 165 Cb 1.47 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 30.05 3d63 h GLU 165 CO 0.16 0.33 -0.72 0.82 -1.18 0.00 0.00 179.01 178.43 3d63 h ILE 166 N 0.08 1.36 0.00 2.32 2.04 -1.23 -1.05 117.51 121.03 3d63 h ILE 166 Ca 0.01 -2.08 -0.00 0.00 1.00 0.00 0.00 64.86 63.79 3d63 h ILE 166 Cb 0.49 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 3d63 h ILE 166 CO 0.03 0.63 -0.00 0.74 0.00 0.00 0.00 178.15 179.56 3d63 h THR 167 N 0.32 1.75 -0.44 -0.27 2.02 -1.04 -1.22 112.91 114.03 3d63 h THR 167 Ca -0.03 -2.26 0.07 0.00 0.77 0.00 0.00 66.41 64.96 3d63 h THR 167 Cb 1.29 3.28 -0.09 0.00 -1.74 0.00 0.00 68.15 70.89 3d63 h THR 167 CO 0.13 0.58 -0.48 0.44 0.37 0.00 0.00 175.52 176.56 3d63 h ASP 168 N -0.97 -1.61 -0.82 4.18 3.32 -1.42 0.15 116.42 119.25 3d63 h ASP 168 Ca -0.00 0.23 0.16 0.00 0.02 0.00 0.00 57.03 57.44 3d63 h ASP 168 Cb 0.96 0.69 -0.15 0.00 0.22 0.00 0.00 39.33 41.04 3d63 h ASP 168 CO 0.00 -0.38 -0.26 1.23 -1.72 0.00 0.00 179.24 178.12 3d63 h GLY 169 N -0.34 0.42 2.00 2.75 0.00 -1.11 0.55 103.07 107.34 3d63 h GLY 169 Ca 0.12 0.34 -0.11 0.00 0.00 0.00 0.00 47.33 47.68 3d63 h GLY 169 CO -0.61 -0.29 -0.52 -2.08 0.00 0.00 0.00 176.54 173.05 3d63 h VAL 170 N -0.03 1.00 0.03 4.60 2.07 -0.36 -0.54 116.25 123.02 3d63 h VAL 170 Ca 0.37 -2.09 -0.08 0.00 0.82 0.00 0.00 66.70 65.72 3d63 h VAL 170 Cb 0.60 2.27 0.01 0.00 -1.52 0.00 0.00 31.29 32.65 3d63 h VAL 170 CO -0.86 0.51 -0.33 0.00 0.02 0.00 0.00 177.57 176.91 3d63 h ALA 171 N 1.48 0.00 0.00 1.67 0.00 0.10 -3.04 119.26 119.47 3d63 h ALA 171 Ca -0.01 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 3d63 h ALA 171 Cb 1.23 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3d63 h ALA 171 CO 0.07 0.14 -0.03 -0.91 0.00 0.00 0.00 179.25 178.51 3d63 h ASN 172 N -0.55 0.00 0.97 0.00 2.35 0.00 0.33 115.58 118.68 3d63 h ASN 172 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3d63 h ASN 172 Cb 1.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.51 3d63 h ASN 172 CO 0.06 0.03 -0.24 0.33 -1.65 0.00 0.00 177.43 175.97 3d63 n PHE 173 N -3.73 0.33 -0.02 1.19 7.35 -1.11 -4.06 117.46 117.41 3d63 n PHE 173 Ca -0.03 0.10 -0.01 0.00 -0.76 0.00 0.00 57.45 56.75 3d63 n PHE 173 Cb 0.13 -0.58 -0.00 0.00 0.35 0.00 0.00 39.48 39.37 3d63 n PHE 173 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 3d63 h LYS 174 N 0.00 0.00 0.00 -4.13 6.56 -0.26 -3.48 116.57 115.26 3d63 h LYS 174 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3d63 h LYS 174 Cb 0.61 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.27 3d63 h LYS 174 CO 0.00 0.00 0.00 0.36 -2.06 0.00 0.00 179.45 177.75