#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d7a n THR 3 N 0.00 4.66 0.38 2.03 5.66 -1.26 -4.94 114.28 120.81 3d7a n THR 3 Ca 0.00 -0.50 0.07 0.00 -3.05 0.00 0.00 64.05 60.57 3d7a n THR 3 Cb 0.00 -1.40 0.08 0.00 -1.55 0.00 0.00 70.33 67.46 3d7a n THR 3 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 3d7a n MET 4 N -1.68 1.29 -3.80 1.09 2.00 -1.26 -5.00 117.12 109.76 3d7a n MET 4 Ca 0.15 -1.49 -0.10 0.00 0.00 0.00 0.00 57.70 56.27 3d7a n MET 4 Cb 0.48 -1.27 -0.05 0.00 0.00 0.00 0.00 33.22 32.38 3d7a n MET 4 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 3d7a s PHE 5 N -1.08 0.05 -0.21 2.03 -0.12 -1.26 -4.52 117.98 112.85 3d7a s PHE 5 Ca 0.18 -0.40 -0.16 0.00 -0.05 0.00 0.00 56.93 56.51 3d7a s PHE 5 Cb 0.12 0.20 -0.19 0.00 -0.63 0.00 0.00 43.02 42.53 3d7a s PHE 5 CO 0.17 -0.80 0.08 0.39 -0.05 0.00 0.00 175.22 175.02 3d7a n GLU 6 N -0.27 0.61 -3.62 1.99 -0.58 0.12 -4.97 120.64 113.92 3d7a n GLU 6 Ca -0.10 0.43 -0.14 0.00 -0.42 0.00 0.00 57.16 56.92 3d7a n GLU 6 Cb 0.63 -1.67 -0.06 0.00 -0.57 0.00 0.00 31.44 29.77 3d7a n GLU 6 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3d7a s GLU 7 N -2.44 0.94 -0.09 3.49 2.12 -1.19 -4.60 118.70 116.93 3d7a s GLU 7 Ca -0.30 -0.19 0.04 0.00 0.36 0.00 0.00 54.97 54.88 3d7a s GLU 7 Cb 0.08 0.43 -0.01 0.00 0.26 0.00 0.00 34.13 34.89 3d7a s GLU 7 CO 0.60 -0.32 -0.22 0.08 -0.54 0.00 0.00 175.26 174.87 3d7a s VAL 8 N -2.07 2.31 -0.09 3.70 1.01 0.45 -1.25 120.40 124.46 3d7a s VAL 8 Ca -0.08 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 60.98 3d7a s VAL 8 Cb -0.01 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.49 3d7a s VAL 8 CO 0.01 0.56 -0.15 -0.70 0.00 0.00 0.00 175.10 174.82 3d7a s GLU 9 N 0.12 2.09 -0.08 2.72 2.12 -0.50 -0.96 118.70 124.22 3d7a s GLU 9 Ca -0.11 -0.53 0.05 0.00 0.36 0.00 0.00 54.97 54.74 3d7a s GLU 9 Cb -0.16 -1.75 -0.01 0.00 0.26 0.00 0.00 34.13 32.47 3d7a s GLU 9 CO 0.06 -0.02 -0.23 0.08 -0.54 0.00 0.00 175.26 174.61 3d7a s VAL 10 N 0.86 2.19 -0.03 3.70 1.01 0.61 0.15 120.40 128.89 3d7a s VAL 10 Ca -0.10 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 60.92 3d7a s VAL 10 Cb -0.15 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 3d7a s VAL 10 CO 0.01 0.56 -0.12 -0.70 0.00 0.00 0.00 175.10 174.85 3d7a s GLU 11 N 0.08 1.18 0.01 2.72 2.12 0.66 0.05 118.70 125.52 3d7a s GLU 11 Ca -0.10 -0.42 -0.17 0.00 0.36 0.00 0.00 54.97 54.63 3d7a s GLU 11 Cb -0.16 -1.08 0.03 0.00 0.26 0.00 0.00 34.13 33.18 3d7a s GLU 11 CO 0.06 0.19 0.38 0.00 -0.54 0.00 0.00 175.26 175.35 3d7a s ALA 12 N 0.01 -0.93 0.05 6.30 0.00 -0.69 -0.81 121.76 125.69 3d7a s ALA 12 Ca -0.01 0.35 -0.15 0.00 0.00 0.00 0.00 51.96 52.15 3d7a s ALA 12 Cb -0.08 0.20 -0.06 0.00 0.00 0.00 0.00 23.12 23.18 3d7a s ALA 12 CO 0.01 -0.36 0.46 0.71 0.00 0.00 0.00 175.76 176.57 3d7a s TYR 13 N -1.93 3.71 -0.29 0.00 1.51 -1.26 0.10 117.35 119.19 3d7a s TYR 13 Ca -0.09 1.03 -0.00 0.00 -1.01 0.00 0.00 57.07 56.99 3d7a s TYR 13 Cb -0.02 -2.32 0.06 0.00 -0.11 0.00 0.00 41.96 39.56 3d7a s TYR 13 CO 0.01 0.59 -0.03 0.08 -1.11 0.00 0.00 175.55 175.09 3d7a s VAL 14 N -1.19 2.73 0.58 0.71 1.01 0.81 -4.93 120.40 120.12 3d7a s VAL 14 Ca 0.28 -1.50 -0.08 0.00 0.00 0.00 0.00 61.98 60.67 3d7a s VAL 14 Cb -0.17 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 3d7a s VAL 14 CO 0.16 -0.11 0.94 -0.31 0.00 0.00 0.00 175.10 175.78 3d7a s TYR 15 N 1.19 3.52 0.28 5.22 1.51 -1.26 -1.37 117.35 126.45 3d7a s TYR 15 Ca -0.06 1.02 0.03 0.00 -1.01 0.00 0.00 57.07 57.05 3d7a s TYR 15 Cb -0.20 -2.63 0.65 0.00 -0.11 0.00 0.00 41.96 39.68 3d7a s TYR 15 CO -0.03 -0.63 1.76 -1.35 -1.11 0.00 0.00 175.55 174.19 3d7a h PRO 16 N -0.16 0.62 0.00 -1.71 0.11 -1.94 0.26 132.00 129.17 3d7a h PRO 16 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3d7a h PRO 16 Cb 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3d7a h PRO 16 CO 0.62 0.41 0.00 0.25 -0.21 0.00 0.00 178.00 179.07 3d7a n THR 17 N -4.86 0.08 -2.62 -1.15 -2.24 -1.26 -4.82 114.28 97.40 3d7a n THR 17 Ca 0.20 0.02 -0.28 0.00 -2.27 0.00 0.00 64.05 61.72 3d7a n THR 17 Cb 0.53 -0.56 -0.01 0.00 -2.10 0.00 0.00 70.33 68.19 3d7a n THR 17 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3d7a s GLU 18 N -2.44 3.58 -0.28 -0.78 2.02 0.90 -5.07 118.70 116.63 3d7a s GLU 18 Ca 0.30 0.28 -0.16 0.00 0.02 0.00 0.00 54.97 55.41 3d7a s GLU 18 Cb 0.19 -2.36 -0.03 0.00 0.10 0.00 0.00 34.13 32.03 3d7a s GLU 18 CO 0.40 -0.20 0.40 0.34 0.02 0.00 0.00 175.26 176.23 3d7a s ASP 19 N -3.95 6.28 0.32 -0.19 -1.08 -1.26 -4.81 116.67 111.98 3d7a s ASP 19 Ca 0.48 0.26 0.01 0.00 -0.52 0.00 0.00 52.55 52.78 3d7a s ASP 19 Cb -0.10 -2.22 0.54 0.00 -1.46 0.00 0.00 42.92 39.67 3d7a s ASP 19 CO 0.43 -0.23 1.93 -0.29 0.52 0.00 0.00 175.17 177.52 3d7a h ILE 20 N 5.42 1.19 -0.89 4.11 2.10 -1.97 -2.04 117.51 125.42 3d7a h ILE 20 Ca -0.31 -0.54 0.00 0.00 1.08 0.00 0.00 64.86 65.09 3d7a h ILE 20 Cb 1.15 0.47 -0.04 0.00 -1.09 0.00 0.00 36.82 37.31 3d7a h ILE 20 CO 0.67 0.22 0.57 0.03 -1.08 0.00 0.00 178.15 178.56 3d7a h ARG 21 N 0.80 1.19 -0.32 2.19 3.08 -1.99 -0.89 114.38 118.44 3d7a h ARG 21 Ca 0.20 -0.09 -0.16 0.00 0.07 0.00 0.00 59.98 60.00 3d7a h ARG 21 Cb 0.09 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 3d7a h ARG 21 CO -0.03 0.81 -0.45 0.87 -1.07 0.00 0.00 179.97 180.11 3d7a h LYS 22 N 1.22 0.84 -0.53 0.04 1.57 -1.81 -1.52 116.57 116.39 3d7a h LYS 22 Ca 0.32 -0.47 -0.11 0.00 -1.87 0.00 0.00 60.65 58.52 3d7a h LYS 22 Cb -0.10 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3d7a h LYS 22 CO -0.07 1.11 -0.10 0.28 -0.57 0.00 0.00 179.45 180.11 3d7a h VAL 23 N 0.67 1.27 -0.88 0.50 2.07 -1.08 -1.21 116.25 117.58 3d7a h VAL 23 Ca 0.04 -1.25 0.12 0.00 0.82 0.00 0.00 66.70 66.44 3d7a h VAL 23 Cb 1.03 0.98 -0.08 0.00 -1.52 0.00 0.00 31.29 31.70 3d7a h VAL 23 CO 0.10 0.44 0.51 0.11 0.02 0.00 0.00 177.57 178.75 3d7a h LYS 24 N 0.87 0.76 -0.19 1.57 1.57 -1.11 -1.70 116.57 118.34 3d7a h LYS 24 Ca 0.14 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3d7a h LYS 24 Cb 0.66 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3d7a h LYS 24 CO 0.05 0.51 0.04 -0.22 -0.57 0.00 0.00 179.45 179.25 3d7a h LYS 25 N 0.79 0.31 -0.60 3.15 1.63 -0.64 -1.22 116.57 119.99 3d7a h LYS 25 Ca 0.45 -0.08 0.12 0.00 -0.85 0.00 0.00 60.65 60.29 3d7a h LYS 25 Cb 0.51 -0.04 -0.09 0.00 -0.60 0.00 0.00 32.23 32.02 3d7a h LYS 25 CO -0.29 0.46 0.10 0.00 -3.45 0.00 0.00 179.45 176.27 3d7a h ALA 26 N 0.84 0.69 -0.38 5.00 0.00 -0.98 0.14 119.26 124.57 3d7a h ALA 26 Ca 0.06 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3d7a h ALA 26 Cb 0.30 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3d7a h ALA 26 CO 0.00 -0.33 0.20 0.52 0.00 0.00 0.00 179.25 179.64 3d7a h MET 27 N 0.23 0.54 0.00 0.00 2.86 -1.07 -2.98 114.93 114.50 3d7a h MET 27 Ca 0.32 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.81 3d7a h MET 27 Cb 0.48 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 3d7a h MET 27 CO -0.43 0.46 -0.34 -0.07 1.06 0.00 0.00 176.91 177.59 3d7a h LEU 28 N 0.48 0.00 -1.98 1.22 3.38 -0.73 -0.19 115.31 117.50 3d7a h LEU 28 Ca 0.13 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.22 3d7a h LEU 28 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3d7a h LEU 28 CO -0.02 0.34 0.29 0.78 0.09 0.00 0.00 178.44 179.92 3d7a h ASN 29 N 0.00 0.02 0.02 -0.43 -0.26 -0.82 -3.14 115.58 110.98 3d7a h ASN 29 Ca -0.00 0.00 -0.37 0.00 -0.56 0.00 0.00 56.30 55.37 3d7a h ASN 29 Cb 0.61 -0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.81 3d7a h ASN 29 CO 0.04 0.01 -2.05 0.18 -1.06 0.00 0.00 177.43 174.56 3d7a n LEU 30 N -4.42 2.16 -3.89 1.61 4.77 -0.72 -4.84 117.00 111.68 3d7a n LEU 30 Ca 0.07 0.28 -0.30 0.00 -0.03 0.00 0.00 56.01 56.02 3d7a n LEU 30 Cb 0.47 -0.92 -0.15 0.00 -2.33 0.00 0.00 43.42 40.48 3d7a n LEU 30 CO 0.36 0.57 -0.37 -0.63 -1.33 0.00 0.00 177.39 175.99 3d7a s ILE 31 N -2.47 1.49 0.59 -0.08 -1.09 -0.16 -3.89 121.20 115.59 3d7a s ILE 31 Ca -0.33 -1.57 -0.17 0.00 -2.23 0.00 0.00 60.65 56.36 3d7a s ILE 31 Cb 0.10 -1.97 -0.04 0.00 -1.58 0.00 0.00 42.46 38.97 3d7a s ILE 31 CO 0.58 -0.43 1.08 -2.84 -1.23 0.00 0.00 174.94 172.10 3d7a s PRO 32 N 1.35 3.27 0.00 2.79 0.02 -1.19 -4.05 135.00 137.19 3d7a s PRO 32 Ca 0.04 1.32 0.00 0.00 0.02 0.00 0.00 61.00 62.38 3d7a s PRO 32 Cb -0.18 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.32 3d7a s PRO 32 CO -0.13 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.09 3d7a n GLY 33 N -0.62 0.53 3.77 0.52 0.00 -1.26 -4.86 105.19 103.27 3d7a n GLY 33 Ca 0.10 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 3d7a n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d7a s LEU 34 N 0.00 4.38 -0.23 0.99 1.43 -1.26 -4.79 118.68 119.21 3d7a s LEU 34 Ca 0.00 2.85 -0.13 0.00 -1.03 0.00 0.00 54.13 55.81 3d7a s LEU 34 Cb 0.00 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 3d7a s LEU 34 CO 0.00 -0.68 0.29 -1.10 0.23 0.00 0.00 176.35 175.09 3d7a s GLN 35 N -1.92 4.10 -0.09 1.70 -1.52 -0.02 -4.81 119.66 117.09 3d7a s GLN 35 Ca 0.51 -0.03 -0.10 0.00 -1.95 0.00 0.00 55.36 53.78 3d7a s GLN 35 Cb -0.43 -3.56 -0.05 0.00 -0.22 0.00 0.00 33.01 28.76 3d7a s GLN 35 CO 0.57 -0.03 0.24 -0.06 -0.25 0.00 0.00 175.29 175.76 3d7a s PHE 36 N 1.32 3.61 0.13 0.91 0.08 -1.26 -1.16 117.98 121.61 3d7a s PHE 36 Ca 0.13 0.66 0.11 0.00 0.12 0.00 0.00 56.93 57.96 3d7a s PHE 36 Cb -0.14 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.15 3d7a s PHE 36 CO 0.07 0.61 -0.26 -1.21 -0.10 0.00 0.00 175.22 174.33 3d7a s GLU 37 N -0.74 1.38 -0.02 0.44 2.02 -0.01 -5.00 118.70 116.77 3d7a s GLU 37 Ca 0.17 -1.35 0.03 0.00 0.02 0.00 0.00 54.97 53.85 3d7a s GLU 37 Cb -0.13 -1.84 -0.01 0.00 0.10 0.00 0.00 34.13 32.25 3d7a s GLU 37 CO 0.06 0.43 -0.12 0.00 0.02 0.00 0.00 175.26 175.66 3d7a s ALA 38 N -1.14 1.01 -0.10 5.21 0.00 -1.26 -0.57 121.76 124.91 3d7a s ALA 38 Ca 0.14 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.62 3d7a s ALA 38 Cb -0.10 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.75 3d7a s ALA 38 CO 0.06 0.23 -0.14 -0.06 0.00 0.00 0.00 175.76 175.85 3d7a s PHE 39 N -0.16 1.81 -0.06 0.00 0.08 -0.11 -4.96 117.98 114.59 3d7a s PHE 39 Ca 0.02 -0.80 -0.30 0.00 0.12 0.00 0.00 56.93 55.97 3d7a s PHE 39 Cb -0.06 -1.32 -0.02 0.00 -0.57 0.00 0.00 43.02 41.05 3d7a s PHE 39 CO -0.00 -0.42 1.03 0.34 -0.10 0.00 0.00 175.22 176.07 3d7a s ASP 40 N 0.92 7.25 -0.02 1.36 2.15 -1.26 -0.73 116.67 126.34 3d7a s ASP 40 Ca -0.09 1.63 0.03 0.00 0.43 0.00 0.00 52.55 54.55 3d7a s ASP 40 Cb -0.15 -2.56 0.04 0.00 -0.30 0.00 0.00 42.92 39.95 3d7a s ASP 40 CO 0.00 -0.40 0.98 0.29 -0.17 0.00 0.00 175.17 175.86 3d7a n LYS 41 N 4.61 2.47 0.00 4.34 4.76 -0.75 -4.97 118.16 128.63 3d7a n LYS 41 Ca 0.08 -1.55 0.00 0.00 -2.87 0.00 0.00 58.31 53.97 3d7a n LYS 41 Cb 0.49 -1.02 0.00 0.00 -1.84 0.00 0.00 35.03 32.66 3d7a n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3d7a n GLY 42 N -0.58 2.30 0.00 0.72 0.00 -1.26 -4.31 105.19 102.06 3d7a n GLY 42 Ca 0.02 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3d7a n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3d7a n GLU 43 N 0.00 0.32 -3.75 1.61 0.28 -1.26 -4.84 120.64 112.99 3d7a n GLU 43 Ca 0.00 0.08 -0.01 0.00 -0.16 0.00 0.00 57.16 57.07 3d7a n GLU 43 Cb 0.00 -1.50 -0.00 0.00 1.43 0.00 0.00 31.44 31.37 3d7a n GLU 43 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 3d7a s TYR 44 N -2.56 -0.05 -0.04 -1.84 -0.85 -1.26 -4.56 117.35 106.18 3d7a s TYR 44 Ca 0.21 -0.20 0.06 0.00 -0.52 0.00 0.00 57.07 56.62 3d7a s TYR 44 Cb 0.15 0.62 -0.02 0.00 0.38 0.00 0.00 41.96 43.08 3d7a s TYR 44 CO 0.33 -0.64 -0.21 0.08 -1.52 0.00 0.00 175.55 173.59 3d7a s VAL 45 N -2.72 2.47 -0.20 -3.49 1.01 -0.47 -1.81 120.40 115.19 3d7a s VAL 45 Ca 0.16 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 3d7a s VAL 45 Cb 0.00 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 3d7a s VAL 45 CO 0.01 0.58 0.51 -0.63 0.00 0.00 0.00 175.10 175.57 3d7a s ILE 46 N -0.56 5.11 -0.24 2.22 1.01 0.09 -0.13 121.20 128.69 3d7a s ILE 46 Ca 0.08 0.94 -0.09 0.00 0.00 0.00 0.00 60.65 61.58 3d7a s ILE 46 Cb -0.11 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 3d7a s ILE 46 CO 0.00 0.18 0.11 -0.22 0.00 0.00 0.00 174.94 175.01 3d7a s LEU 47 N 1.63 3.75 -0.18 2.97 0.20 0.12 -0.93 118.68 126.23 3d7a s LEU 47 Ca 0.24 -0.05 -0.00 0.00 0.69 0.00 0.00 54.13 55.00 3d7a s LEU 47 Cb -0.15 -2.00 0.01 0.00 -0.43 0.00 0.00 46.19 43.61 3d7a s LEU 47 CO 0.09 0.02 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.33 3d7a s VAL 48 N 1.31 2.49 -0.12 1.68 1.01 0.26 -1.71 120.40 125.32 3d7a s VAL 48 Ca 0.06 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 3d7a s VAL 48 Cb -0.15 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3d7a s VAL 48 CO 0.05 0.51 0.03 -0.83 0.00 0.00 0.00 175.10 174.86 3d7a s GLY 49 N 1.16 1.89 0.01 4.51 0.00 0.11 -0.83 107.32 114.16 3d7a s GLY 49 Ca 0.01 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 43.98 3d7a s GLY 49 CO -0.06 -0.37 -0.07 0.50 0.00 0.00 0.00 173.10 173.09 3d7a s ARG 50 N -0.54 0.52 -0.17 2.90 0.52 -0.31 -0.29 118.95 121.58 3d7a s ARG 50 Ca 0.10 -0.37 -0.15 0.00 -0.52 0.00 0.00 55.73 54.79 3d7a s ARG 50 Cb -0.12 -0.45 0.04 0.00 0.52 0.00 0.00 34.95 34.94 3d7a s ARG 50 CO 0.02 0.12 0.44 -0.08 0.02 0.00 0.00 175.30 175.82 3d7a s THR 51 N -0.47 -0.00 -1.25 0.02 -1.32 -0.13 -0.84 115.64 111.64 3d7a s THR 51 Ca -0.01 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.62 3d7a s THR 51 Cb -0.04 -0.62 0.42 0.00 -1.51 0.00 0.00 72.50 70.75 3d7a s THR 51 CO 0.00 0.00 1.35 0.29 -2.21 0.00 0.00 174.62 174.05 3d7a n LYS 52 N 2.91 2.84 -2.05 7.08 5.02 -1.26 -0.41 118.16 132.29 3d7a n LYS 52 Ca -0.14 -2.26 -0.42 0.00 -2.02 0.00 0.00 58.31 53.47 3d7a n LYS 52 Cb 0.57 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 34.18 3d7a n LYS 52 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3d7a s ASP 53 N -1.01 6.69 0.58 4.39 3.68 -1.26 -4.88 116.67 124.86 3d7a s ASP 53 Ca 0.32 2.18 0.28 0.00 2.13 0.00 0.00 52.55 57.46 3d7a s ASP 53 Cb 0.17 -2.53 1.53 0.00 -1.45 0.00 0.00 42.92 40.63 3d7a s ASP 53 CO 0.21 -0.91 1.84 0.07 0.13 0.00 0.00 175.17 176.51 3d7a h LYS 54 N 9.42 0.00 -0.54 4.34 2.10 -1.94 -0.30 116.57 129.65 3d7a h LYS 54 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 3d7a h LYS 54 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3d7a h LYS 54 CO 0.96 0.00 0.00 0.54 -2.00 0.00 0.00 179.45 178.95 3d7a n ARG 55 N -2.71 2.29 0.25 0.07 1.74 -1.26 -4.53 116.66 112.51 3d7a n ARG 55 Ca -0.02 -2.00 0.12 0.00 -0.77 0.00 0.00 57.85 55.18 3d7a n ARG 55 Cb 0.31 -1.44 0.68 0.00 -1.02 0.00 0.00 32.46 30.99 3d7a n ARG 55 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d7a h ALA 56 N 4.05 1.30 -0.25 7.54 0.00 -1.38 -2.41 119.26 128.11 3d7a h ALA 56 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3d7a h ALA 56 Cb 0.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3d7a h ALA 56 CO 0.00 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.70 3d7a n LEU 57 N -3.69 2.31 -0.15 0.00 4.77 -1.26 -4.40 117.00 114.57 3d7a n LEU 57 Ca -0.02 -0.98 -0.05 0.00 -0.03 0.00 0.00 56.01 54.93 3d7a n LEU 57 Cb 0.26 -0.16 0.13 0.00 -2.33 0.00 0.00 43.42 41.32 3d7a n LEU 57 CO 0.31 0.49 0.90 -0.61 -1.33 0.00 0.00 177.39 177.15 3d7a h GLN 58 N 3.01 0.89 -0.37 3.23 5.75 -1.77 -0.39 115.11 125.47 3d7a h GLN 58 Ca 0.00 -0.23 -0.04 0.00 -0.15 0.00 0.00 58.65 58.22 3d7a h GLN 58 Cb 0.66 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 3d7a h GLN 58 CO 0.00 0.86 0.06 -0.09 -2.65 0.00 0.00 178.83 177.01 3d7a h ARG 59 N 0.84 0.61 -0.41 1.69 9.65 -1.81 -1.73 114.38 123.22 3d7a h ARG 59 Ca 0.17 -0.16 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3d7a h ARG 59 Cb 0.43 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.92 3d7a h ARG 59 CO 0.02 0.67 0.25 -0.07 2.80 0.00 0.00 179.97 183.64 3d7a h LEU 60 N 0.45 0.49 -0.75 3.80 3.38 -1.57 -0.10 115.31 121.02 3d7a h LEU 60 Ca 0.11 -0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.20 3d7a h LEU 60 Cb 0.35 -0.12 -0.12 0.00 0.09 0.00 0.00 40.66 40.87 3d7a h LEU 60 CO 0.01 0.39 0.15 0.22 0.09 0.00 0.00 178.44 179.30 3d7a h TYR 61 N 0.54 0.23 -0.07 1.13 5.03 -0.92 -0.26 116.97 122.66 3d7a h TYR 61 Ca 0.15 0.05 -0.19 0.00 2.58 0.00 0.00 58.73 61.31 3d7a h TYR 61 Cb -0.01 0.02 0.01 0.00 1.55 0.00 0.00 36.73 38.30 3d7a h TYR 61 CO -0.04 -0.12 -0.71 0.93 -1.32 0.00 0.00 178.16 176.90 3d7a h GLU 62 N 0.23 0.60 -0.53 1.82 5.08 -0.96 -3.07 114.58 117.77 3d7a h GLU 62 Ca 0.43 -0.56 -0.11 0.00 -1.00 0.00 0.00 59.36 58.12 3d7a h GLU 62 Cb 0.74 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 3d7a h GLU 62 CO -0.55 1.18 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.48 3d7a h LEU 63 N 0.23 0.97 -1.04 1.33 3.38 -0.65 0.16 115.31 119.70 3d7a h LEU 63 Ca -0.07 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 3d7a h LEU 63 Cb 1.37 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 3d7a h LEU 63 CO 0.14 1.08 0.49 -0.26 0.09 0.00 0.00 178.44 179.99 3d7a h PHE 64 N 0.88 1.13 0.03 1.13 0.04 -1.11 -0.28 116.94 118.76 3d7a h PHE 64 Ca 0.14 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 3d7a h PHE 64 Cb 0.64 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.43 3d7a h PHE 64 CO 0.04 0.76 -0.02 0.00 -0.60 0.00 0.00 178.31 178.50 3d7a h ARG 65 N 1.17 -0.04 -0.32 1.51 3.08 -1.39 -0.85 114.38 117.54 3d7a h ARG 65 Ca 0.30 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.31 3d7a h ARG 65 Cb -0.02 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3d7a h ARG 65 CO -0.05 0.64 -0.00 0.78 -1.07 0.00 0.00 179.97 180.26 3d7a h GLY 66 N -0.87 0.53 1.97 0.04 0.00 -0.98 -0.38 103.07 103.38 3d7a h GLY 66 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3d7a h GLY 66 CO 0.01 0.29 0.00 -1.06 0.00 0.00 0.00 176.54 175.78 3d7a n GLN 67 N -4.29 0.03 -3.46 4.80 6.02 -0.12 -4.94 117.38 115.43 3d7a n GLN 67 Ca 0.01 0.04 -0.18 0.00 -0.01 0.00 0.00 57.00 56.86 3d7a n GLN 67 Cb 0.24 -1.50 0.09 0.00 1.02 0.00 0.00 30.24 30.09 3d7a n GLN 67 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3d7a n GLN 68 N -1.48 -6.83 -0.89 -1.09 6.02 -0.15 -4.94 117.38 108.01 3d7a n GLN 68 Ca 0.07 0.84 0.03 0.00 -0.01 0.00 0.00 57.00 57.93 3d7a n GLN 68 Cb 0.31 -5.87 0.16 0.00 1.02 0.00 0.00 30.24 25.87 3d7a n GLN 68 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3d7a n ILE 69 N -4.27 1.95 -0.08 5.09 -5.35 -0.35 -4.81 119.36 111.54 3d7a n ILE 69 Ca -0.24 -3.06 0.02 0.00 -0.27 0.00 0.00 62.75 59.20 3d7a n ILE 69 Cb 0.65 -0.15 0.35 0.00 -1.74 0.00 0.00 39.64 38.75 3d7a n ILE 69 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3d7a h LEU 70 N 1.14 0.61 -0.02 7.28 3.38 -1.92 0.24 115.31 126.02 3d7a h LEU 70 Ca 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3d7a h LEU 70 Cb 1.17 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 3d7a h LEU 70 CO 0.09 0.46 -0.02 0.44 0.09 0.00 0.00 178.44 179.51 3d7a h ASP 71 N 0.72 0.06 -0.53 -0.43 3.45 -1.87 -0.96 116.42 116.85 3d7a h ASP 71 Ca 0.19 -0.45 -0.04 0.00 0.43 0.00 0.00 57.03 57.16 3d7a h ASP 71 Cb -0.05 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 38.68 3d7a h ASP 71 CO -0.04 0.49 0.19 0.74 -1.57 0.00 0.00 179.24 179.06 3d7a h THR 72 N -0.38 1.22 -0.43 0.35 2.02 -1.84 -2.08 112.91 111.78 3d7a h THR 72 Ca 0.00 -0.73 0.05 0.00 0.77 0.00 0.00 66.41 66.51 3d7a h THR 72 Cb 0.48 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.55 3d7a h THR 72 CO 0.00 0.27 0.16 0.00 0.37 0.00 0.00 175.52 176.33 3d7a h ALA 73 N 1.04 0.52 -0.71 6.16 0.00 -0.52 -1.29 119.26 124.46 3d7a h ALA 73 Ca 0.17 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3d7a h ALA 73 Cb 0.24 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3d7a h ALA 73 CO -0.01 -0.23 0.28 -0.09 0.00 0.00 0.00 179.25 179.20 3d7a h ARG 74 N 0.33 1.06 -0.93 0.00 9.65 -0.93 -0.03 114.38 123.54 3d7a h ARG 74 Ca 0.20 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 3d7a h ARG 74 Cb 0.19 -0.17 -0.04 0.00 -1.39 0.00 0.00 29.97 28.55 3d7a h ARG 74 CO -0.20 0.88 0.55 1.98 2.80 0.00 0.00 179.97 185.98 3d7a h MET 75 N 1.01 1.26 -0.25 0.20 4.05 -1.11 -1.09 114.93 119.00 3d7a h MET 75 Ca 0.24 -0.12 -0.19 0.00 -0.28 0.00 0.00 59.70 59.35 3d7a h MET 75 Cb 0.22 -0.26 0.00 0.00 -0.80 0.00 0.00 31.60 30.76 3d7a h MET 75 CO -0.02 0.89 -0.59 0.52 0.23 0.00 0.00 176.91 177.94 3d7a h MET 76 N 1.28 0.84 -0.33 0.39 2.86 -0.82 -1.28 114.93 117.88 3d7a h MET 76 Ca 0.33 -0.57 0.03 0.00 -2.06 0.00 0.00 59.70 57.43 3d7a h MET 76 Cb -0.05 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 3d7a h MET 76 CO -0.06 1.20 0.15 -0.07 1.06 0.00 0.00 176.91 179.19 3d7a h LEU 77 N 0.61 0.21 -0.40 1.22 3.38 -0.87 -0.90 115.31 118.56 3d7a h LEU 77 Ca -0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3d7a h LEU 77 Cb 1.21 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 3d7a h LEU 77 CO 0.13 0.16 0.22 -0.33 0.09 0.00 0.00 178.44 178.71 3d7a h GLU 78 N 0.32 0.55 -0.46 1.13 4.39 -1.14 -1.77 114.58 117.60 3d7a h GLU 78 Ca 0.14 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.80 3d7a h GLU 78 Cb 0.07 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 3d7a h GLU 78 CO -0.11 0.44 0.30 0.93 -1.16 0.00 0.00 179.01 179.42 3d7a h GLU 79 N 0.51 0.51 -0.18 2.33 5.08 -1.04 -2.31 114.58 119.48 3d7a h GLU 79 Ca 0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3d7a h GLU 79 Cb 0.05 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3d7a h GLU 79 CO -0.02 0.34 0.00 0.41 -1.00 0.00 0.00 179.01 178.73 3d7a n GLY 80 N -1.48 0.24 3.58 -3.84 0.00 -0.36 -4.89 105.19 98.44 3d7a n GLY 80 Ca 0.05 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 3d7a n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3d7a s TYR 81 N -1.77 3.14 -0.14 1.61 6.04 -0.74 -1.20 117.35 124.30 3d7a s TYR 81 Ca 0.30 0.51 -0.04 0.00 0.04 0.00 0.00 57.07 57.88 3d7a s TYR 81 Cb 0.16 -3.26 0.06 0.00 -1.04 0.00 0.00 41.96 37.88 3d7a s TYR 81 CO 0.24 -0.66 0.13 -0.06 -1.54 0.00 0.00 175.55 173.66 3d7a s PHE 82 N 2.91 -0.01 0.00 4.97 0.08 0.06 -5.02 117.98 120.99 3d7a s PHE 82 Ca 0.29 0.09 0.00 0.00 0.12 0.00 0.00 56.93 57.43 3d7a s PHE 82 Cb -0.14 -0.50 0.00 0.00 -0.57 0.00 0.00 43.02 41.82 3d7a s PHE 82 CO 0.15 -0.42 0.00 0.41 -0.10 0.00 0.00 175.22 175.26 3d7a n GLY 83 N 5.30 1.16 0.12 4.36 0.00 -1.26 -1.68 105.19 113.19 3d7a n GLY 83 Ca -0.05 0.29 0.04 0.00 0.00 0.00 0.00 46.02 46.29 3d7a n GLY 83 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3d7a n GLU 84 N 0.00 2.48 -4.37 1.61 2.13 -1.26 -4.95 120.64 116.28 3d7a n GLU 84 Ca 0.00 -1.93 -0.21 0.00 0.66 0.00 0.00 57.16 55.68 3d7a n GLU 84 Cb 0.00 -1.21 -0.13 0.00 0.27 0.00 0.00 31.44 30.37 3d7a n GLU 84 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3d7a s GLU 85 N -1.64 0.98 -0.13 5.31 2.02 -0.68 -0.23 118.70 124.34 3d7a s GLU 85 Ca 0.14 -0.80 0.01 0.00 0.02 0.00 0.00 54.97 54.33 3d7a s GLU 85 Cb 0.11 -1.01 0.02 0.00 0.10 0.00 0.00 34.13 33.35 3d7a s GLU 85 CO 0.03 0.25 -0.14 0.42 0.02 0.00 0.00 175.26 175.84 3d7a s ILE 86 N -0.88 1.46 -0.11 -1.63 1.01 0.33 -0.76 121.20 120.62 3d7a s ILE 86 Ca 0.02 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.12 3d7a s ILE 86 Cb -0.08 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 41.02 3d7a s ILE 86 CO 0.01 0.44 -0.23 -0.51 0.00 0.00 0.00 174.94 174.65 3d7a s ILE 87 N 1.30 2.06 0.22 2.92 2.07 -0.34 -0.20 121.20 129.22 3d7a s ILE 87 Ca 0.00 -1.01 0.10 0.00 -1.41 0.00 0.00 60.65 58.33 3d7a s ILE 87 Cb -0.14 -1.79 -0.05 0.00 0.13 0.00 0.00 42.46 40.62 3d7a s ILE 87 CO -0.07 0.56 -0.18 0.27 -1.91 0.00 0.00 174.94 173.61 3d7a s ILE 88 N 0.45 2.07 -0.11 2.00 -4.36 0.10 -4.07 121.20 117.28 3d7a s ILE 88 Ca -0.16 -2.17 0.02 0.00 -0.26 0.00 0.00 60.65 58.08 3d7a s ILE 88 Cb -0.17 -2.08 0.01 0.00 1.25 0.00 0.00 42.46 41.47 3d7a s ILE 88 CO 0.06 -0.40 -0.18 -0.54 0.24 0.00 0.00 174.94 174.13 3d7a s LYS 89 N -3.24 2.45 0.23 0.37 1.02 -1.26 0.08 119.74 119.40 3d7a s LYS 89 Ca 0.23 -0.66 0.08 0.00 0.02 0.00 0.00 55.97 55.64 3d7a s LYS 89 Cb -0.04 -2.00 -0.05 0.00 -0.52 0.00 0.00 37.83 35.21 3d7a s LYS 89 CO 0.10 0.00 -0.13 0.14 -0.92 0.00 0.00 175.35 174.54 3d7a s VAL 90 N 0.79 1.83 0.05 3.17 -7.23 0.71 -4.64 120.40 115.07 3d7a s VAL 90 Ca -0.10 -2.22 -0.31 0.00 -1.81 0.00 0.00 61.98 57.54 3d7a s VAL 90 Cb -0.16 -2.18 -0.07 0.00 0.56 0.00 0.00 36.38 34.53 3d7a s VAL 90 CO 0.01 -0.50 1.47 -2.28 -0.31 0.00 0.00 175.10 173.50 3d7a s HIS 91 N -2.91 2.82 0.10 2.82 2.46 0.59 -0.52 115.29 120.65 3d7a s HIS 91 Ca 0.25 0.71 -0.17 0.00 0.47 0.00 0.00 55.06 56.32 3d7a s HIS 91 Cb -0.00 -3.76 -0.06 0.00 -0.13 0.00 0.00 32.58 28.63 3d7a s HIS 91 CO 0.09 -2.85 1.51 -0.22 -2.47 0.00 0.00 174.74 170.81 3d7a h LYS 92 N 7.72 0.57 -0.12 2.88 3.64 -1.87 -1.32 116.57 128.06 3d7a h LYS 92 Ca -0.40 -0.20 -0.18 0.00 -1.27 0.00 0.00 60.65 58.60 3d7a h LYS 92 Cb 1.19 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3d7a h LYS 92 CO 0.90 0.73 -0.67 1.96 -2.27 0.00 0.00 179.45 180.11 3d7a h GLN 93 N 0.34 0.49 -0.41 1.90 1.08 -1.90 -1.80 115.11 114.82 3d7a h GLN 93 Ca 0.08 -0.36 -0.12 0.00 -1.45 0.00 0.00 58.65 56.79 3d7a h GLN 93 Cb 0.51 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 3d7a h GLN 93 CO 0.02 0.99 -0.24 0.28 -0.95 0.00 0.00 178.83 178.93 3d7a h VAL 94 N 0.35 1.27 -0.76 -0.54 2.07 -1.86 -2.59 116.25 114.19 3d7a h VAL 94 Ca -0.02 -1.38 0.03 0.00 0.82 0.00 0.00 66.70 66.15 3d7a h VAL 94 Cb 1.23 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 3d7a h VAL 94 CO 0.12 0.46 0.50 0.00 0.02 0.00 0.00 177.57 178.67 3d7a h ALA 95 N 1.00 1.52 -0.16 1.67 0.00 -1.03 -2.09 119.26 120.18 3d7a h ALA 95 Ca 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3d7a h ALA 95 Cb 0.78 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3d7a h ALA 95 CO 0.06 0.41 -0.00 -0.92 0.00 0.00 0.00 179.25 178.80 3d7a h TYR 96 N 0.95 0.22 -0.37 0.00 3.20 -0.93 0.53 116.97 120.57 3d7a h TYR 96 Ca 0.29 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.15 3d7a h TYR 96 Cb -0.00 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.20 3d7a h TYR 96 CO -0.00 0.24 0.00 1.33 -1.64 0.00 0.00 178.16 178.09 3d7a n VAL 97 N -4.40 0.50 -0.47 1.81 0.24 -0.85 -4.79 118.33 110.37 3d7a n VAL 97 Ca -0.01 -0.53 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 3d7a n VAL 97 Cb 0.17 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 3d7a n VAL 97 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3d7a n GLY 98 N 1.16 0.74 3.64 7.63 0.00 0.18 -5.08 105.19 113.46 3d7a n GLY 98 Ca 0.14 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 3d7a n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d7a s LYS 99 N -0.69 2.03 -0.21 1.61 -0.14 -0.85 -4.96 119.74 116.53 3d7a s LYS 99 Ca 0.00 -1.92 -0.13 0.00 -1.36 0.00 0.00 55.97 52.56 3d7a s LYS 99 Cb 0.00 -1.81 -0.05 0.00 -1.68 0.00 0.00 37.83 34.29 3d7a s LYS 99 CO 0.00 0.02 0.26 0.08 -0.76 0.00 0.00 175.35 174.94 3d7a s VAL 100 N -2.62 5.30 -0.06 3.17 1.01 -1.26 -2.93 120.40 123.01 3d7a s VAL 100 Ca 0.36 0.41 -0.01 0.00 0.00 0.00 0.00 61.98 62.75 3d7a s VAL 100 Cb 0.05 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.86 3d7a s VAL 100 CO 0.19 0.32 -0.01 0.21 0.00 0.00 0.00 175.10 175.81 3d7a s ASN 101 N 0.92 1.36 0.00 3.32 3.84 -1.26 -5.02 114.94 118.09 3d7a s ASN 101 Ca 0.13 -0.10 0.19 0.00 0.21 0.00 0.00 52.86 53.28 3d7a s ASN 101 Cb -0.14 -0.44 0.69 0.00 -0.55 0.00 0.00 41.25 40.81 3d7a s ASN 101 CO 0.05 -0.15 1.50 0.49 -2.79 0.00 0.00 177.10 176.20 3d7a n PHE 102 N 4.78 0.24 -1.77 0.43 3.01 -1.26 -0.30 117.46 122.59 3d7a n PHE 102 Ca -0.13 -0.12 -0.43 0.00 1.01 0.00 0.00 57.45 57.78 3d7a n PHE 102 Cb 0.50 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.94 3d7a n PHE 102 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3d7a s ASN 103 N -1.46 6.08 -1.08 4.37 3.84 -1.26 -4.87 114.94 120.56 3d7a s ASN 103 Ca 0.30 2.12 -0.17 0.00 0.21 0.00 0.00 52.86 55.32 3d7a s ASN 103 Cb 0.16 -2.52 0.14 0.00 -0.55 0.00 0.00 41.25 38.48 3d7a s ASN 103 CO 0.24 -1.42 1.31 -1.61 -2.79 0.00 0.00 177.10 172.82 3d7a s GLU 104 N 5.18 3.84 -0.32 0.43 0.41 -1.26 -4.30 118.70 122.67 3d7a s GLU 104 Ca 0.88 -2.13 0.04 0.00 -0.41 0.00 0.00 54.97 53.35 3d7a s GLU 104 Cb -0.34 -5.03 0.33 0.00 -1.78 0.00 0.00 34.13 27.30 3d7a s GLU 104 CO 0.36 -1.81 1.41 -0.25 -0.49 0.00 0.00 175.26 174.47 3d7a n ASP 105 N 6.32 -1.18 -4.61 -0.19 8.00 -1.26 -5.15 116.55 118.48 3d7a n ASP 105 Ca 0.31 -1.78 -0.40 0.00 0.71 0.00 0.00 54.79 53.64 3d7a n ASP 105 Cb 0.46 1.09 -0.07 0.00 -0.02 0.00 0.00 41.12 42.58 3d7a n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3d7a s SER 106 N -0.16 6.42 0.14 -2.24 0.15 -1.26 -5.03 113.70 111.71 3d7a s SER 106 Ca 0.21 0.45 -0.34 0.00 0.70 0.00 0.00 55.95 56.96 3d7a s SER 106 Cb 0.29 -2.28 -0.16 0.00 -1.71 0.00 0.00 66.02 62.16 3d7a s SER 106 CO -0.20 -0.33 1.25 -2.65 1.20 0.00 0.00 173.24 172.52 3d7a n PRO 107 N 5.60 1.21 -1.63 5.44 -0.02 -1.26 -1.20 135.00 143.13 3d7a n PRO 107 Ca -0.04 0.43 -0.60 0.00 -2.02 0.00 0.00 63.50 61.28 3d7a n PRO 107 Cb 0.50 -2.00 -0.08 0.00 -0.02 0.00 0.00 33.50 31.89 3d7a n PRO 107 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3d7a n LEU 108 N 2.26 1.17 0.00 2.45 7.99 -1.26 -4.69 117.00 124.91 3d7a n LEU 108 Ca 0.16 1.14 0.00 0.00 -0.01 0.00 0.00 56.01 57.31 3d7a n LEU 108 Cb 0.23 -1.01 0.00 0.00 -0.11 0.00 0.00 43.42 42.53 3d7a n LEU 108 CO 0.62 -1.13 0.00 0.61 -1.51 0.00 0.00 177.39 175.98 3d7a n GLY 109 N 2.97 0.03 3.89 -0.72 0.00 -0.34 -4.91 105.19 106.11 3d7a n GLY 109 Ca 0.24 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 3d7a n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d7a s PRO 110 N -4.78 2.27 -0.16 1.61 0.04 -1.26 -4.22 135.00 128.50 3d7a s PRO 110 Ca 0.00 0.23 -0.12 0.00 0.04 0.00 0.00 61.00 61.15 3d7a s PRO 110 Cb 0.00 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 3d7a s PRO 110 CO 0.00 -1.40 0.24 0.42 0.04 0.00 0.00 177.00 176.30 3d7a s ILE 111 N -3.50 5.34 -0.18 0.56 1.01 0.32 -4.60 121.20 120.15 3d7a s ILE 111 Ca 0.61 0.43 -0.06 0.00 0.00 0.00 0.00 60.65 61.63 3d7a s ILE 111 Cb -0.11 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 3d7a s ILE 111 CO 0.50 0.43 0.03 -0.89 0.00 0.00 0.00 174.94 175.01 3d7a s THR 112 N 0.25 4.47 -0.20 2.92 2.01 0.01 -0.21 115.64 124.90 3d7a s THR 112 Ca 0.14 -0.15 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 3d7a s THR 112 Cb -0.12 -3.01 -0.01 0.00 0.01 0.00 0.00 72.50 69.37 3d7a s THR 112 CO 0.03 0.46 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.71 3d7a s ILE 113 N 0.48 3.17 -0.18 1.82 1.01 0.11 -0.24 121.20 127.37 3d7a s ILE 113 Ca 0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.08 3d7a s ILE 113 Cb -0.13 -2.41 -0.00 0.00 0.01 0.00 0.00 42.46 39.93 3d7a s ILE 113 CO 0.01 0.46 -0.12 -0.89 0.00 0.00 0.00 174.94 174.40 3d7a s THR 114 N 1.20 2.81 -0.23 2.92 2.01 0.12 -0.72 115.64 123.75 3d7a s THR 114 Ca 0.02 -0.70 -0.06 0.00 0.31 0.00 0.00 61.69 61.26 3d7a s THR 114 Cb -0.14 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 3d7a s THR 114 CO -0.03 0.49 0.02 -0.63 -0.69 0.00 0.00 174.62 173.78 3d7a s ILE 115 N 1.07 3.87 -0.32 1.82 1.01 0.71 -1.41 121.20 127.95 3d7a s ILE 115 Ca -0.00 -0.32 -0.17 0.00 0.00 0.00 0.00 60.65 60.15 3d7a s ILE 115 Cb -0.15 -2.79 -0.01 0.00 0.01 0.00 0.00 42.46 39.52 3d7a s ILE 115 CO -0.03 0.38 0.48 -0.60 0.00 0.00 0.00 174.94 175.17 3d7a s ARG 116 N 1.54 3.75 -0.05 2.79 3.52 -0.38 -0.51 118.95 129.60 3d7a s ARG 116 Ca 0.06 -0.06 -0.06 0.00 -0.13 0.00 0.00 55.73 55.53 3d7a s ARG 116 Cb -0.15 -3.76 0.01 0.00 -1.56 0.00 0.00 34.95 29.50 3d7a s ARG 116 CO 0.00 -0.53 0.17 -0.08 -0.81 0.00 0.00 175.30 174.05 3d7a s THR 117 N 2.30 0.01 -0.91 4.11 -1.32 0.68 0.12 115.64 120.64 3d7a s THR 117 Ca 0.18 -0.10 0.26 0.00 -1.21 0.00 0.00 61.69 60.82 3d7a s THR 117 Cb -0.16 -0.27 0.09 0.00 -1.51 0.00 0.00 72.50 70.66 3d7a s THR 117 CO 0.12 -0.05 1.55 0.29 -2.21 0.00 0.00 174.62 174.32 3d7a n LYS 118 N 2.77 0.08 -3.54 7.08 5.02 -1.26 -4.44 118.16 123.87 3d7a n LYS 118 Ca -0.14 0.03 -0.27 0.00 -2.02 0.00 0.00 58.31 55.91 3d7a n LYS 118 Cb 0.58 -1.56 -0.10 0.00 -0.02 0.00 0.00 35.03 33.94 3d7a n LYS 118 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3d7a n GLU 119 N -1.67 1.08 0.12 1.97 0.28 -1.26 -4.96 120.64 116.18 3d7a n GLU 119 Ca 0.05 -3.79 -0.02 0.00 -0.16 0.00 0.00 57.16 53.25 3d7a n GLU 119 Cb 0.36 -1.88 0.06 0.00 1.43 0.00 0.00 31.44 31.41 3d7a n GLU 119 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 3d7a h PRO 120 N 5.16 0.00 -0.26 3.44 0.13 -1.90 -1.37 132.00 137.20 3d7a h PRO 120 Ca 0.19 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.26 3d7a h PRO 120 Cb 0.82 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 3d7a h PRO 120 CO 0.55 0.70 -0.08 1.96 -0.23 0.00 0.00 178.00 180.90 3d7a h GLN 121 N 0.00 0.51 -0.73 0.86 1.08 -1.97 -0.91 115.11 113.94 3d7a h GLN 121 Ca -0.01 -0.20 -0.05 0.00 -1.45 0.00 0.00 58.65 56.94 3d7a h GLN 121 Cb 1.38 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.75 3d7a h GLN 121 CO 0.09 0.74 0.25 0.87 -0.95 0.00 0.00 178.83 179.83 3d7a h LYS 122 N 0.25 1.12 -0.02 1.46 1.57 -1.98 -1.57 116.57 117.40 3d7a h LYS 122 Ca 0.06 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3d7a h LYS 122 Cb 0.56 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 3d7a h LYS 122 CO 0.03 0.94 0.01 1.25 -0.57 0.00 0.00 179.45 181.10 3d7a h LEU 123 N 1.08 0.02 -0.70 2.94 6.46 -1.10 -1.30 115.31 122.72 3d7a h LEU 123 Ca 0.24 -0.10 -0.07 0.00 -0.12 0.00 0.00 57.88 57.83 3d7a h LEU 123 Cb 0.27 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.16 3d7a h LEU 123 CO -0.01 0.12 0.17 0.24 -0.62 0.00 0.00 178.44 178.33 3d7a h MET 124 N -0.07 1.12 -0.02 1.25 2.86 -1.09 0.30 114.93 119.29 3d7a h MET 124 Ca 0.01 -0.27 -0.09 0.00 -2.06 0.00 0.00 59.70 57.28 3d7a h MET 124 Cb 0.10 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3d7a h MET 124 CO -0.00 1.00 -0.42 0.87 1.06 0.00 0.00 176.91 179.42 3d7a h LYS 125 N 1.06 0.04 0.12 1.72 1.57 -1.23 0.17 116.57 120.03 3d7a h LYS 125 Ca 0.22 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.80 3d7a h LYS 125 Cb 0.38 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.71 3d7a h LYS 125 CO 0.00 0.45 -0.79 2.35 -0.57 0.00 0.00 179.45 180.89 3d7a h TRP 126 N 0.04 0.57 -0.05 -1.35 7.01 -0.87 -3.24 115.95 118.05 3d7a h TRP 126 Ca 0.00 -0.39 -0.19 0.00 2.11 0.00 0.00 58.89 60.41 3d7a h TRP 126 Cb 0.75 -0.03 0.01 0.00 -2.10 0.00 0.00 29.16 27.79 3d7a h TRP 126 CO 0.00 1.29 -0.72 1.25 -2.79 0.00 0.00 178.44 177.47 3d7a h LEU 127 N -0.32 0.72 -6.00 0.65 6.46 -0.33 -3.40 115.31 113.10 3d7a h LEU 127 Ca -0.13 -0.70 -0.55 0.00 -0.12 0.00 0.00 57.88 56.37 3d7a h LEU 127 Cb 1.60 -0.22 -0.40 0.00 -0.73 0.00 0.00 40.66 40.92 3d7a h LEU 127 CO 0.15 1.32 -1.05 0.00 -0.62 0.00 0.00 178.44 178.25 3d7a n ALA 128 N -2.60 2.62 -1.65 1.25 0.00 0.60 -4.79 120.51 115.95 3d7a n ALA 128 Ca -0.09 -3.60 -0.36 0.00 0.00 0.00 0.00 53.44 49.39 3d7a n ALA 128 Cb 0.72 -0.84 0.05 0.00 0.00 0.00 0.00 19.45 19.39 3d7a n ALA 128 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3d7a s PRO 129 N -1.60 2.71 -0.08 0.00 0.04 -1.22 -4.58 135.00 130.27 3d7a s PRO 129 Ca 0.37 1.83 -0.27 0.00 0.04 0.00 0.00 61.00 62.97 3d7a s PRO 129 Cb 0.20 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.82 3d7a s PRO 129 CO -0.09 -1.41 0.86 1.03 0.04 0.00 0.00 177.00 177.43 3d7a s ARG 130 N -3.51 4.44 0.07 4.56 1.81 -1.26 -4.78 118.95 120.27 3d7a s ARG 130 Ca 0.77 1.15 0.01 0.00 -1.72 0.00 0.00 55.73 55.94 3d7a s ARG 130 Cb -0.31 -3.50 -0.04 0.00 -0.45 0.00 0.00 34.95 30.66 3d7a s ARG 130 CO 0.37 -0.12 -0.05 0.95 -0.68 0.00 0.00 175.30 175.77 3d7a s THR 131 N 1.37 0.47 -0.17 0.02 -4.23 -1.26 -1.05 115.64 110.79 3d7a s THR 131 Ca 0.44 -1.65 -0.00 0.00 -1.18 0.00 0.00 61.69 59.29 3d7a s THR 131 Cb -0.19 -1.31 0.04 0.00 1.34 0.00 0.00 72.50 72.39 3d7a s THR 131 CO 0.20 -0.79 -0.05 -0.75 -0.54 0.00 0.00 174.62 172.69 3d7a s LYS 132 N -3.23 1.45 -1.54 3.99 2.47 0.11 -4.78 119.74 118.22 3d7a s LYS 132 Ca 0.04 -0.56 -0.13 0.00 -1.56 0.00 0.00 55.97 53.75 3d7a s LYS 132 Cb 0.02 -2.07 0.09 0.00 -1.46 0.00 0.00 37.83 34.41 3d7a s LYS 132 CO -0.05 -0.45 0.93 -0.25 0.16 0.00 0.00 175.35 175.69 3d7a n ASP 133 N 4.86 -4.31 0.00 1.43 10.43 -1.26 -0.72 116.55 126.98 3d7a n ASP 133 Ca -0.12 -0.82 0.00 0.00 2.57 0.00 0.00 54.79 56.42 3d7a n ASP 133 Cb 0.47 -3.72 0.00 0.00 1.84 0.00 0.00 41.12 39.71 3d7a n ASP 133 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3d7a n GLY 134 N -1.65 2.49 3.68 0.44 0.00 -1.26 -5.00 105.19 103.88 3d7a n GLY 134 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3d7a n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d7a s VAL 135 N -2.99 5.18 0.13 1.61 1.01 0.10 -5.00 120.40 120.44 3d7a s VAL 135 Ca 0.00 0.83 -0.35 0.00 0.00 0.00 0.00 61.98 62.46 3d7a s VAL 135 Cb 0.00 -3.78 -0.15 0.00 0.00 0.00 0.00 36.38 32.46 3d7a s VAL 135 CO 0.00 0.26 1.52 -2.65 0.00 0.00 0.00 175.10 174.23 3d7a n PRO 136 N 4.30 1.86 -0.48 2.72 -0.02 -1.26 0.10 135.00 142.22 3d7a n PRO 136 Ca -0.07 0.67 0.05 0.00 -2.02 0.00 0.00 63.50 62.13 3d7a n PRO 136 Cb 0.51 -2.41 0.20 0.00 -0.02 0.00 0.00 33.50 31.79 3d7a n PRO 136 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3d7a n ILE 137 N 3.23 2.25 -1.55 4.25 -5.35 -0.22 -4.80 119.36 117.17 3d7a n ILE 137 Ca 0.18 -2.47 0.00 0.00 -0.27 0.00 0.00 62.75 60.19 3d7a n ILE 137 Cb 0.26 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 37.89 3d7a n ILE 137 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95