#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d4a n ALA 4 N 0.00 1.87 -2.81 0.55 0.00 -1.26 -4.97 120.51 113.89 3d4a n ALA 4 Ca 0.00 0.40 -0.31 0.00 0.00 0.00 0.00 53.44 53.52 3d4a n ALA 4 Cb 0.00 -2.45 -0.04 0.00 0.00 0.00 0.00 19.45 16.95 3d4a n ALA 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3d4a s LEU 5 N 1.59 4.32 0.40 0.00 1.43 -1.26 -5.11 118.68 120.04 3d4a s LEU 5 Ca 0.80 0.41 -0.26 0.00 -1.03 0.00 0.00 54.13 54.05 3d4a s LEU 5 Cb -0.60 -3.12 -0.08 0.00 0.03 0.00 0.00 46.19 42.42 3d4a s LEU 5 CO 0.37 0.12 1.21 0.00 0.23 0.00 0.00 176.35 178.29 3d4a s ALA 6 N -1.58 3.19 0.22 4.21 0.00 -1.26 -4.82 121.76 121.73 3d4a s ALA 6 Ca 0.38 1.06 -0.18 0.00 0.00 0.00 0.00 51.96 53.22 3d4a s ALA 6 Cb -0.13 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 3d4a s ALA 6 CO 0.26 -0.63 0.69 -0.51 0.00 0.00 0.00 175.76 175.58 3d4a s ASP 7 N -0.99 6.96 -0.03 0.00 1.01 -1.26 -1.13 116.67 121.23 3d4a s ASP 7 Ca 0.57 1.33 0.01 0.00 0.71 0.00 0.00 52.55 55.17 3d4a s ASP 7 Cb -0.33 -2.38 0.02 0.00 1.01 0.00 0.00 42.92 41.23 3d4a s ASP 7 CO 0.42 0.01 -0.05 0.54 0.21 0.00 0.00 175.17 176.30 3d4a s VAL 8 N -1.59 0.50 0.16 -1.27 0.11 -0.40 -4.91 120.40 113.00 3d4a s VAL 8 Ca 0.44 -0.14 -0.31 0.00 -2.93 0.00 0.00 61.98 59.04 3d4a s VAL 8 Cb -0.15 -0.50 -0.08 0.00 -1.53 0.00 0.00 36.38 34.11 3d4a s VAL 8 CO 0.20 0.20 1.37 0.00 -3.33 0.00 0.00 175.10 173.54 3d4a h ARG 10 N 6.16 0.19 0.00 0.00 1.12 -0.11 0.03 114.38 121.77 3d4a h ARG 10 Ca -0.43 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.43 3d4a h ARG 10 Cb 1.21 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.13 3d4a h ARG 10 CO 0.83 0.13 0.00 0.25 -3.11 0.00 0.00 179.97 178.06 3d4a n THR 11 N -5.24 0.88 0.49 0.20 -2.24 -0.49 -2.80 114.28 105.08 3d4a n THR 11 Ca 0.22 0.27 0.12 0.00 -2.27 0.00 0.00 64.05 62.38 3d4a n THR 11 Cb 0.69 -1.18 0.09 0.00 -2.10 0.00 0.00 70.33 67.83 3d4a n THR 11 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3d4a n LYS 12 N -2.13 0.35 -1.82 -0.78 4.76 -0.01 -4.93 118.16 113.60 3d4a n LYS 12 Ca 0.02 0.06 -0.34 0.00 -2.87 0.00 0.00 58.31 55.18 3d4a n LYS 12 Cb 0.21 -1.67 0.05 0.00 -1.84 0.00 0.00 35.03 31.77 3d4a n LYS 12 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3d4a s LEU 13 N -4.31 3.48 0.43 -0.35 1.43 -1.12 -4.97 118.68 113.27 3d4a s LEU 13 Ca 0.04 2.17 -0.23 0.00 -1.03 0.00 0.00 54.13 55.08 3d4a s LEU 13 Cb 0.13 -4.57 -0.10 0.00 0.03 0.00 0.00 46.19 41.67 3d4a s LEU 13 CO 0.76 -1.69 0.91 -2.65 0.23 0.00 0.00 176.35 173.92 3d4a n PRO 14 N -2.14 1.15 -0.35 1.29 -0.02 -1.26 -4.77 135.00 128.89 3d4a n PRO 14 Ca 0.12 0.41 0.25 0.00 -2.02 0.00 0.00 63.50 62.26 3d4a n PRO 14 Cb 0.51 -1.94 0.49 0.00 -0.02 0.00 0.00 33.50 32.54 3d4a n PRO 14 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3d4a h SER 15 N 1.30 0.49 0.30 2.55 4.64 -1.95 -0.53 113.55 120.35 3d4a h SER 15 Ca -0.44 0.16 -0.10 0.00 -0.47 0.00 0.00 61.79 60.95 3d4a h SER 15 Cb 1.35 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.54 3d4a h SER 15 CO 0.55 -0.09 -0.41 1.56 -0.87 0.00 0.00 176.83 177.58 3d4a h GLN 16 N 0.33 0.15 -0.34 4.77 7.50 -1.88 -0.63 115.11 125.00 3d4a h GLN 16 Ca 0.72 -0.07 -0.12 0.00 0.50 0.00 0.00 58.65 59.68 3d4a h GLN 16 Cb 1.72 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 29.24 3d4a h GLN 16 CO -0.53 0.53 -0.27 0.00 -1.50 0.00 0.00 178.83 177.06 3d4a h ALA 17 N 1.46 0.49 -0.57 3.87 0.00 -1.43 -2.24 119.26 120.84 3d4a h ALA 17 Ca 0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 3d4a h ALA 17 Cb 0.78 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3d4a h ALA 17 CO 0.06 0.50 0.04 1.96 0.00 0.00 0.00 179.25 181.81 3d4a h GLN 18 N 0.57 0.95 -0.39 0.00 4.20 -1.23 -1.50 115.11 117.70 3d4a h GLN 18 Ca 0.06 -0.26 0.07 0.00 0.06 0.00 0.00 58.65 58.58 3d4a h GLN 18 Cb 0.85 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 28.46 3d4a h GLN 18 CO 0.07 0.91 0.03 -0.44 -0.67 0.00 0.00 178.83 178.73 3d4a h ASP 19 N 0.89 -0.10 -0.11 1.46 3.32 -0.98 -1.57 116.42 119.33 3d4a h ASP 19 Ca 0.17 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.32 3d4a h ASP 19 Cb 0.46 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3d4a h ASP 19 CO 0.02 -0.01 -0.01 0.74 -1.72 0.00 0.00 179.24 178.26 3d4a h THR 20 N 0.14 0.92 -0.95 0.35 2.02 -1.06 -0.81 112.91 113.52 3d4a h THR 20 Ca 0.19 -0.01 0.14 0.00 0.77 0.00 0.00 66.41 67.50 3d4a h THR 20 Cb 0.25 0.89 -0.08 0.00 -1.74 0.00 0.00 68.15 67.47 3d4a h THR 20 CO -0.29 0.01 0.60 -0.07 0.37 0.00 0.00 175.52 176.14 3d4a h LEU 21 N 0.03 0.77 -0.38 2.58 3.38 -0.94 -0.08 115.31 120.67 3d4a h LEU 21 Ca 0.05 0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 3d4a h LEU 21 Cb 0.06 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3d4a h LEU 21 CO -0.09 0.38 -0.44 0.00 0.09 0.00 0.00 178.44 178.38 3d4a h ALA 22 N 1.58 0.56 -0.51 1.53 0.00 -0.83 -2.45 119.26 119.14 3d4a h ALA 22 Ca 0.48 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3d4a h ALA 22 Cb 0.66 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3d4a h ALA 22 CO -0.25 0.68 -0.00 -0.07 0.00 0.00 0.00 179.25 179.61 3d4a h LEU 23 N 0.71 0.84 -0.88 0.00 3.38 -0.19 -2.36 115.31 116.81 3d4a h LEU 23 Ca 0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3d4a h LEU 23 Cb 1.04 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 3d4a h LEU 23 CO 0.10 0.91 0.50 0.40 0.09 0.00 0.00 178.44 180.44 3d4a h ILE 24 N 0.81 1.25 -0.24 1.22 2.04 -1.00 0.34 117.51 121.93 3d4a h ILE 24 Ca 0.15 -0.58 -0.09 0.00 1.00 0.00 0.00 64.86 65.34 3d4a h ILE 24 Cb 0.49 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3d4a h ILE 24 CO 0.02 0.27 -0.23 0.00 0.00 0.00 0.00 178.15 178.21 3d4a h ALA 25 N 1.27 1.16 0.00 1.87 0.00 -1.25 -2.63 119.26 119.68 3d4a h ALA 25 Ca 0.31 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3d4a h ALA 25 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3d4a h ALA 25 CO -0.05 0.53 -0.36 1.63 0.00 0.00 0.00 179.25 181.00 3d4a n LYS 26 N -4.14 0.11 -3.18 0.00 5.02 -0.90 -4.98 118.16 110.09 3d4a n LYS 26 Ca -0.00 0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.19 3d4a n LYS 26 Cb 0.39 -1.59 0.07 0.00 -0.02 0.00 0.00 35.03 33.88 3d4a n LYS 26 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3d4a n ASN 27 N -1.76 -3.26 0.00 4.39 3.02 0.56 -4.77 115.26 113.44 3d4a n ASN 27 Ca 0.05 -0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 3d4a n ASN 27 Cb 0.38 -4.00 0.00 0.00 -0.61 0.00 0.00 39.78 35.55 3d4a n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d4a n GLY 28 N -1.31 -0.12 3.65 7.41 0.00 0.88 -4.76 105.19 110.95 3d4a n GLY 28 Ca -0.14 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 3d4a n GLY 28 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3d4a n PRO 29 N 0.00 1.80 -3.37 1.61 -0.02 -1.26 -4.98 135.00 128.78 3d4a n PRO 29 Ca 0.00 0.63 -0.30 0.00 -2.02 0.00 0.00 63.50 61.82 3d4a n PRO 29 Cb 0.00 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.31 3d4a n PRO 29 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3d4a s TYR 30 N -1.02 3.46 0.36 6.00 1.51 -1.26 -5.02 117.35 121.37 3d4a s TYR 30 Ca 0.57 0.71 0.10 0.00 -1.01 0.00 0.00 57.07 57.44 3d4a s TYR 30 Cb -0.63 -2.15 0.68 0.00 -0.11 0.00 0.00 41.96 39.75 3d4a s TYR 30 CO 0.61 0.21 1.83 -1.00 -1.11 0.00 0.00 175.55 176.08 3d4a h PRO 31 N 1.97 0.16 -6.62 -1.71 0.13 -1.99 -3.45 132.00 120.49 3d4a h PRO 31 Ca -0.47 -0.05 -0.69 0.00 -0.87 0.00 0.00 66.00 63.91 3d4a h PRO 31 Cb 1.18 -0.01 -0.25 0.00 0.13 0.00 0.00 31.00 32.05 3d4a h PRO 31 CO 0.67 0.44 -0.84 0.71 -0.23 0.00 0.00 178.00 178.75 3d4a s TYR 32 N -4.39 2.45 0.37 1.56 2.02 -1.26 -5.02 117.35 113.08 3d4a s TYR 32 Ca -0.04 -0.33 0.12 0.00 -0.37 0.00 0.00 57.07 56.45 3d4a s TYR 32 Cb 0.15 -1.46 0.93 0.00 -0.40 0.00 0.00 41.96 41.17 3d4a s TYR 32 CO 0.74 0.16 1.83 -0.91 -1.57 0.00 0.00 175.55 175.80 3d4a h ASN 33 N 4.83 0.58 0.18 2.29 -0.26 -2.06 -2.50 115.58 118.64 3d4a h ASN 33 Ca -0.47 0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.34 3d4a h ASN 33 Cb 1.15 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 38.36 3d4a h ASN 33 CO 0.46 0.23 -0.00 0.54 -1.06 0.00 0.00 177.43 177.60 3d4a n ARG 34 N -4.60 0.83 -2.23 0.81 1.74 -1.26 -4.82 116.66 107.13 3d4a n ARG 34 Ca 0.21 -0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.85 3d4a n ARG 34 Cb 0.63 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.54 3d4a n ARG 34 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3d4a s ASP 35 N -2.18 6.90 0.00 0.55 -0.00 -0.94 -2.52 116.67 118.47 3d4a s ASP 35 Ca 0.42 2.31 0.00 0.00 -0.00 0.00 0.00 52.55 55.27 3d4a s ASP 35 Cb 0.21 -2.59 0.00 0.00 -0.00 0.00 0.00 42.92 40.54 3d4a s ASP 35 CO 0.40 -0.57 0.00 0.61 -0.00 0.00 0.00 175.17 175.61 3d4a n GLY 36 N 2.99 1.46 3.79 0.21 0.00 -0.46 -5.01 105.19 108.17 3d4a n GLY 36 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3d4a n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d4a s VAL 37 N -2.37 3.49 0.27 1.61 0.11 -1.05 -4.67 120.40 117.80 3d4a s VAL 37 Ca 0.00 0.81 -0.30 0.00 -2.93 0.00 0.00 61.98 59.56 3d4a s VAL 37 Cb 0.00 -3.31 -0.13 0.00 -1.53 0.00 0.00 36.38 31.41 3d4a s VAL 37 CO 0.00 -0.32 1.36 0.52 -3.33 0.00 0.00 175.10 173.34 3d4a n VAL 38 N -1.68 1.27 -4.00 2.04 0.31 -1.26 -0.91 118.33 114.10 3d4a n VAL 38 Ca 0.10 -0.32 -0.35 0.00 -0.01 0.00 0.00 64.34 63.76 3d4a n VAL 38 Cb 0.52 -1.49 -0.13 0.00 -0.91 0.00 0.00 33.84 31.83 3d4a n VAL 38 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3d4a s PHE 39 N -0.37 3.04 -0.93 3.52 2.19 0.60 -4.72 117.98 121.31 3d4a s PHE 39 Ca 0.64 -0.49 0.26 0.00 0.33 0.00 0.00 56.93 57.67 3d4a s PHE 39 Cb -0.63 -2.11 0.61 0.00 -1.31 0.00 0.00 43.02 39.58 3d4a s PHE 39 CO 0.53 -0.28 1.50 0.39 1.83 0.00 0.00 175.22 179.19 3d4a n GLU 40 N 4.41 0.06 -3.43 10.12 1.02 -1.26 -4.20 120.64 127.36 3d4a n GLU 40 Ca -0.17 0.02 -0.24 0.00 -0.02 0.00 0.00 57.16 56.75 3d4a n GLU 40 Cb 0.52 -1.54 0.06 0.00 -0.02 0.00 0.00 31.44 30.46 3d4a n GLU 40 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3d4a n ASN 41 N -1.63 -6.24 0.17 1.62 5.15 -1.26 -4.85 115.26 108.22 3d4a n ASN 41 Ca 0.05 -0.47 0.13 0.00 -0.60 0.00 0.00 54.58 53.69 3d4a n ASN 41 Cb 0.36 -4.95 0.59 0.00 -0.53 0.00 0.00 39.78 35.24 3d4a n ASN 41 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 3d4a h ARG 42 N -2.26 0.00 -0.28 1.20 2.47 -2.00 0.10 114.38 113.62 3d4a h ARG 42 Ca -0.56 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.16 3d4a h ARG 42 Cb 1.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 3d4a h ARG 42 CO 0.57 0.00 0.00 0.39 0.56 0.00 0.00 179.97 181.49 3d4a n GLU 43 N -2.35 2.34 -3.04 0.04 4.71 -1.26 -4.98 120.64 116.10 3d4a n GLU 43 Ca 0.00 -2.01 -0.22 0.00 -0.01 0.00 0.00 57.16 54.93 3d4a n GLU 43 Cb 0.14 -1.49 0.02 0.00 -1.01 0.00 0.00 31.44 29.10 3d4a n GLU 43 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 3d4a n SER 44 N 1.26 -5.19 0.09 1.62 7.64 0.36 -4.90 113.62 114.49 3d4a n SER 44 Ca 0.18 -0.26 -0.06 0.00 1.01 0.00 0.00 58.87 59.74 3d4a n SER 44 Cb 0.56 -4.24 -0.01 0.00 -1.01 0.00 0.00 64.21 59.51 3d4a n SER 44 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3d4a h ARG 45 N -1.06 0.05 -6.36 1.43 3.08 -1.94 -3.45 114.38 106.13 3d4a h ARG 45 Ca -0.48 -0.06 -0.47 0.00 0.07 0.00 0.00 59.98 59.05 3d4a h ARG 45 Cb 1.33 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.40 3d4a h ARG 45 CO 0.54 0.88 -0.31 -0.51 -1.07 0.00 0.00 179.97 179.50 3d4a s LEU 46 N -7.15 4.16 0.27 3.04 1.43 -1.26 -4.95 118.68 114.22 3d4a s LEU 46 Ca -0.01 0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 53.07 3d4a s LEU 46 Cb 0.11 -3.10 -0.14 0.00 0.03 0.00 0.00 46.19 43.09 3d4a s LEU 46 CO 0.81 -0.19 1.05 -2.65 0.23 0.00 0.00 176.35 175.60 3d4a n PRO 47 N -1.60 1.38 -2.83 1.29 -0.02 -1.26 -4.89 135.00 127.07 3d4a n PRO 47 Ca -0.07 0.49 -0.40 0.00 -2.02 0.00 0.00 63.50 61.50 3d4a n PRO 47 Cb 0.57 -1.89 -0.05 0.00 -0.02 0.00 0.00 33.50 32.10 3d4a n PRO 47 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3d4a s LYS 48 N -1.37 4.68 0.09 -0.52 -2.85 -1.26 -5.01 119.74 113.50 3d4a s LYS 48 Ca 0.61 1.33 0.01 0.00 -1.00 0.00 0.00 55.97 56.92 3d4a s LYS 48 Cb -0.71 -3.32 -0.00 0.00 -2.06 0.00 0.00 37.83 31.73 3d4a s LYS 48 CO 0.59 0.40 0.10 1.63 0.10 0.00 0.00 175.35 178.16 3d4a n LYS 49 N 2.14 0.14 -2.00 1.78 4.76 -1.26 -5.17 118.16 118.55 3d4a n LYS 49 Ca -0.02 -0.78 -0.28 0.00 -2.87 0.00 0.00 58.31 54.36 3d4a n LYS 49 Cb 0.49 0.69 0.07 0.00 -1.84 0.00 0.00 35.03 34.43 3d4a n LYS 49 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3d4a s GLY 50 N -1.57 1.62 0.43 0.72 0.00 -1.26 -4.98 107.32 102.28 3d4a s GLY 50 Ca 0.09 -0.65 -0.25 0.00 0.00 0.00 0.00 44.72 43.90 3d4a s GLY 50 CO 0.06 -0.22 1.31 0.70 0.00 0.00 0.00 173.10 174.95 3d4a n ASN 51 N -3.11 2.72 -0.06 1.64 5.03 -1.26 -2.54 115.26 117.68 3d4a n ASN 51 Ca 0.07 1.11 -0.01 0.00 0.87 0.00 0.00 54.58 56.63 3d4a n ASN 51 Cb 0.60 -1.52 -0.00 0.00 -1.02 0.00 0.00 39.78 37.83 3d4a n ASN 51 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3d4a n GLY 52 N 0.76 0.36 0.26 7.41 0.00 -1.26 -4.92 105.19 107.80 3d4a n GLY 52 Ca 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 3d4a n GLY 52 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3d4a h TYR 53 N 0.00 0.53 -3.88 1.61 3.20 -1.80 -3.45 116.97 113.18 3d4a h TYR 53 Ca -0.02 -0.08 -0.69 0.00 3.14 0.00 0.00 58.73 61.09 3d4a h TYR 53 Cb 0.43 -0.14 -0.21 0.00 1.54 0.00 0.00 36.73 38.34 3d4a h TYR 53 CO 0.26 0.60 -0.75 0.71 -1.64 0.00 0.00 178.16 177.34 3d4a s TYR 54 N -4.76 2.75 0.05 -3.82 1.51 -1.26 -1.85 117.35 109.97 3d4a s TYR 54 Ca -0.07 -0.13 0.05 0.00 -1.01 0.00 0.00 57.07 55.92 3d4a s TYR 54 Cb 0.15 -1.60 -0.03 0.00 -0.11 0.00 0.00 41.96 40.37 3d4a s TYR 54 CO 0.77 0.26 -0.15 -1.01 -1.11 0.00 0.00 175.55 174.32 3d4a s HIS 55 N -0.84 1.28 0.09 2.71 3.76 -0.95 -0.29 115.29 121.04 3d4a s HIS 55 Ca 0.13 -0.39 0.04 0.00 -0.15 0.00 0.00 55.06 54.69 3d4a s HIS 55 Cb -0.11 -0.74 -0.04 0.00 1.11 0.00 0.00 32.58 32.80 3d4a s HIS 55 CO 0.03 0.05 0.01 -1.83 -0.85 0.00 0.00 174.74 172.16 3d4a s GLU 56 N -1.39 2.61 -0.01 1.40 4.04 -0.09 -1.07 118.70 124.19 3d4a s GLU 56 Ca 0.01 -0.81 0.01 0.00 0.04 0.00 0.00 54.97 54.23 3d4a s GLU 56 Cb -0.09 -2.58 0.00 0.00 0.02 0.00 0.00 34.13 31.49 3d4a s GLU 56 CO 0.02 0.55 -0.04 -0.06 -1.84 0.00 0.00 175.26 173.88 3d4a s PHE 57 N -1.32 0.44 0.18 4.83 0.08 0.40 -1.35 117.98 121.24 3d4a s PHE 57 Ca 0.26 -0.08 -0.30 0.00 0.12 0.00 0.00 56.93 56.93 3d4a s PHE 57 Cb -0.12 -0.33 -0.08 0.00 -0.57 0.00 0.00 43.02 41.92 3d4a s PHE 57 CO 0.19 -0.04 1.16 0.99 -0.10 0.00 0.00 175.22 177.41 3d4a s THR 58 N 0.16 3.71 -0.33 0.64 2.01 -1.26 -1.25 115.64 119.31 3d4a s THR 58 Ca -0.01 1.45 -0.13 0.00 0.31 0.00 0.00 61.69 63.30 3d4a s THR 58 Cb -0.05 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 3d4a s THR 58 CO -0.00 0.24 0.27 -0.69 -0.69 0.00 0.00 174.62 173.75 3d4a s VAL 59 N -0.11 5.25 0.22 3.82 1.01 -0.41 -4.85 120.40 125.33 3d4a s VAL 59 Ca 0.51 -0.06 -0.32 0.00 0.00 0.00 0.00 61.98 62.12 3d4a s VAL 59 Cb -0.31 -3.72 -0.13 0.00 0.00 0.00 0.00 36.38 32.22 3d4a s VAL 59 CO 0.36 0.01 1.49 0.52 0.00 0.00 0.00 175.10 177.48 3d4a n VAL 60 N 5.14 0.63 -3.71 2.92 0.31 -1.26 -4.41 118.33 117.94 3d4a n VAL 60 Ca -0.12 -0.16 -0.38 0.00 -0.01 0.00 0.00 64.34 63.67 3d4a n VAL 60 Cb 0.50 -1.56 -0.12 0.00 -0.91 0.00 0.00 33.84 31.75 3d4a n VAL 60 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3d4a s THR 61 N 0.29 3.89 0.15 2.52 2.01 -1.26 -4.83 115.64 118.40 3d4a s THR 61 Ca 0.71 -1.23 -0.31 0.00 0.31 0.00 0.00 61.69 61.17 3d4a s THR 61 Cb -0.64 -3.27 -0.11 0.00 0.01 0.00 0.00 72.50 68.50 3d4a s THR 61 CO 0.45 -0.28 1.75 -2.84 -0.69 0.00 0.00 174.62 173.01 3d4a s PRO 62 N 1.40 4.15 -0.38 4.92 0.02 -1.26 -3.45 135.00 140.39 3d4a s PRO 62 Ca 0.00 2.54 -0.01 0.00 0.02 0.00 0.00 61.00 63.56 3d4a s PRO 62 Cb -0.20 -3.39 -0.01 0.00 0.02 0.00 0.00 34.50 30.92 3d4a s PRO 62 CO 0.02 -0.78 0.32 0.41 -0.33 0.00 0.00 177.00 176.65 3d4a n GLY 63 N 4.07 0.19 0.00 0.52 0.00 -1.26 -5.08 105.19 103.63 3d4a n GLY 63 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3d4a n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3d4a n SER 64 N -1.82 0.13 -0.00 1.61 7.64 -1.22 -5.04 113.62 114.91 3d4a n SER 64 Ca -0.07 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.80 3d4a n SER 64 Cb 0.55 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.74 3d4a n SER 64 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3d4a n ASN 65 N 0.00 4.65 -4.95 6.43 4.13 -1.26 -5.10 115.26 119.16 3d4a n ASN 65 Ca 0.00 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.06 3d4a n ASN 65 Cb 0.00 0.74 0.06 0.00 -1.54 0.00 0.00 39.78 39.04 3d4a n ASN 65 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 3d4a s ASP 66 N -2.79 5.03 0.34 6.41 3.84 -1.26 -5.02 116.67 123.21 3d4a s ASP 66 Ca -0.01 -0.65 0.04 0.00 -0.00 0.00 0.00 52.55 51.93 3d4a s ASP 66 Cb 0.01 0.05 0.67 0.00 -1.38 0.00 0.00 42.92 42.27 3d4a s ASP 66 CO 0.06 -1.36 1.93 -0.09 -0.00 0.00 0.00 175.17 175.71 3d4a h ARG 67 N 0.09 0.82 0.00 2.11 2.43 -1.99 -3.47 114.38 114.37 3d4a h ARG 67 Ca -0.33 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 3d4a h ARG 67 Cb 1.28 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3d4a h ARG 67 CO 0.42 0.54 0.00 0.41 -1.51 0.00 0.00 179.97 179.83 3d4a n GLY 68 N -1.43 -1.81 0.05 2.80 0.00 -1.26 -4.50 105.19 99.05 3d4a n GLY 68 Ca 0.12 -1.52 0.04 0.00 0.00 0.00 0.00 46.02 44.67 3d4a n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3d4a n THR 69 N 0.00 0.00 -3.31 2.61 -2.24 -1.26 -4.96 114.28 105.12 3d4a n THR 69 Ca 0.00 -0.33 -0.38 0.00 -2.27 0.00 0.00 64.05 61.06 3d4a n THR 69 Cb 0.00 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 69.20 3d4a n THR 69 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3d4a s ARG 70 N -1.63 4.15 0.04 -0.78 0.52 -1.25 -0.54 118.95 119.45 3d4a s ARG 70 Ca 0.04 0.68 -0.06 0.00 -0.52 0.00 0.00 55.73 55.87 3d4a s ARG 70 Cb 0.06 -3.20 -0.01 0.00 0.52 0.00 0.00 34.95 32.33 3d4a s ARG 70 CO 0.30 0.63 0.11 1.03 0.02 0.00 0.00 175.30 177.39 3d4a s ARG 71 N -1.21 0.60 -0.07 3.54 1.81 0.17 -1.29 118.95 122.49 3d4a s ARG 71 Ca 0.29 -0.73 0.02 0.00 -1.72 0.00 0.00 55.73 53.60 3d4a s ARG 71 Cb -0.19 0.24 -0.02 0.00 -0.45 0.00 0.00 34.95 34.53 3d4a s ARG 71 CO 0.18 -0.15 -0.12 0.08 -0.68 0.00 0.00 175.30 174.61 3d4a s VAL 72 N -2.58 3.23 -0.09 3.52 1.01 -0.38 -1.69 120.40 123.42 3d4a s VAL 72 Ca -0.05 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.31 3d4a s VAL 72 Cb -0.01 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 3d4a s VAL 72 CO -0.04 0.58 -0.19 -0.69 0.00 0.00 0.00 175.10 174.75 3d4a s VAL 73 N -0.49 2.56 0.20 2.92 1.01 -0.43 -0.45 120.40 125.72 3d4a s VAL 73 Ca 0.07 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.26 3d4a s VAL 73 Cb -0.12 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3d4a s VAL 73 CO 0.02 0.55 0.04 0.42 0.00 0.00 0.00 175.10 176.14 3d4a s THR 74 N 0.05 3.86 0.49 3.92 -4.23 -0.23 -0.76 115.64 118.74 3d4a s THR 74 Ca -0.08 -1.48 0.06 0.00 -1.18 0.00 0.00 61.69 59.02 3d4a s THR 74 Cb -0.15 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.70 3d4a s THR 74 CO 0.05 -0.20 0.32 -0.83 -0.54 0.00 0.00 174.62 173.43 3d4a s GLY 75 N -3.24 2.36 0.30 3.99 0.00 0.13 -2.25 107.32 108.62 3d4a s GLY 75 Ca 0.29 -1.52 0.26 0.00 0.00 0.00 0.00 44.72 43.75 3d4a s GLY 75 CO 0.20 -1.91 1.76 -1.33 0.00 0.00 0.00 173.10 171.83 3d4a h GLY 76 N 1.00 0.00 -1.50 0.20 0.00 -1.70 -2.56 103.07 98.50 3d4a h GLY 76 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3d4a h GLY 76 CO 0.61 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 175.43 3d4a n TYR 77 N -2.41 0.36 0.00 5.60 4.01 -1.26 -4.98 117.16 118.48 3d4a n TYR 77 Ca 0.03 -0.29 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 3d4a n TYR 77 Cb 0.29 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 3d4a n TYR 77 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3d4a n GLY 78 N 0.86 1.13 3.77 2.72 0.00 -0.96 -5.08 105.19 107.61 3d4a n GLY 78 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3d4a n GLY 78 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3d4a n GLU 79 N -1.65 2.54 -4.70 1.61 4.71 -1.26 -4.79 120.64 117.10 3d4a n GLU 79 Ca 0.00 0.89 -0.24 0.00 -0.01 0.00 0.00 57.16 57.80 3d4a n GLU 79 Cb 0.00 -2.64 -0.16 0.00 -1.01 0.00 0.00 31.44 27.63 3d4a n GLU 79 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3d4a s GLN 80 N -2.19 1.50 0.01 3.49 -0.21 -1.26 -0.69 119.66 120.30 3d4a s GLN 80 Ca 0.55 -0.52 0.03 0.00 0.02 0.00 0.00 55.36 55.45 3d4a s GLN 80 Cb -0.47 -1.33 -0.01 0.00 1.00 0.00 0.00 33.01 32.19 3d4a s GLN 80 CO 0.62 0.22 -0.11 0.71 -2.12 0.00 0.00 175.29 174.61 3d4a s TYR 81 N 0.04 0.94 -0.15 0.91 1.51 0.06 -0.40 117.35 120.26 3d4a s TYR 81 Ca -0.03 -0.23 -0.07 0.00 -1.01 0.00 0.00 57.07 55.73 3d4a s TYR 81 Cb -0.10 -0.59 -0.04 0.00 -0.11 0.00 0.00 41.96 41.12 3d4a s TYR 81 CO 0.01 -0.01 0.09 -0.46 -1.11 0.00 0.00 175.55 174.07 3d4a s TRP 82 N -0.45 3.37 -0.12 2.71 -0.00 0.96 -1.31 118.94 124.10 3d4a s TRP 82 Ca 0.02 0.28 -0.03 0.00 -0.00 0.00 0.00 56.10 56.37 3d4a s TRP 82 Cb -0.05 -2.01 0.05 0.00 -0.00 0.00 0.00 33.47 31.45 3d4a s TRP 82 CO 0.00 0.40 0.06 0.45 -0.00 0.00 0.00 176.95 177.87 3d4a s SER 83 N -0.23 1.92 0.00 5.86 0.15 -0.68 -0.70 113.70 120.01 3d4a s SER 83 Ca 0.09 -0.34 0.30 0.00 0.70 0.00 0.00 55.95 56.69 3d4a s SER 83 Cb -0.12 -0.27 1.43 0.00 -1.71 0.00 0.00 66.02 65.35 3d4a s SER 83 CO 0.01 -0.29 1.97 -0.81 1.20 0.00 0.00 173.24 175.32 3d4a n PRO 84 N 5.25 0.95 -2.72 5.44 -0.04 -1.26 0.41 135.00 143.03 3d4a n PRO 84 Ca -0.06 -0.28 -0.06 0.00 -0.04 0.00 0.00 63.50 63.06 3d4a n PRO 84 Cb 0.49 -1.49 0.04 0.00 -0.04 0.00 0.00 33.50 32.50 3d4a n PRO 84 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3d4a n ASP 85 N -0.78 1.33 -3.99 3.54 5.68 -1.22 -3.87 116.55 117.24 3d4a n ASP 85 Ca 0.18 -2.48 -0.26 0.00 -0.50 0.00 0.00 54.79 51.74 3d4a n ASP 85 Cb 0.24 -0.45 -0.03 0.00 -1.14 0.00 0.00 41.12 39.74 3d4a n ASP 85 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 3d4a n HIS 86 N -0.27 -1.60 -1.10 2.11 -0.00 0.29 -2.05 115.22 112.60 3d4a n HIS 86 Ca 0.08 0.73 -0.03 0.00 -0.00 0.00 0.00 57.72 58.49 3d4a n HIS 86 Cb 0.82 -3.64 -0.01 0.00 -0.00 0.00 0.00 29.99 27.15 3d4a n HIS 86 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3d4a n TYR 87 N -4.42 0.00 0.07 1.57 4.01 -1.26 -4.91 117.16 112.22 3d4a n TYR 87 Ca -0.31 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.33 3d4a n TYR 87 Cb 0.69 -1.00 0.01 0.00 -0.31 0.00 0.00 39.34 38.72 3d4a n TYR 87 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3d4a h ALA 88 N 0.00 0.54 -2.80 -0.72 0.00 -1.82 -3.46 119.26 111.00 3d4a h ALA 88 Ca -0.07 -0.67 -0.16 0.00 0.00 0.00 0.00 54.91 54.01 3d4a h ALA 88 Cb 0.32 -0.06 -0.20 0.00 0.00 0.00 0.00 17.79 17.85 3d4a h ALA 88 CO 0.10 0.83 -0.69 -0.08 0.00 0.00 0.00 179.25 179.42 3d4a s THR 89 N -3.38 0.14 -0.01 0.00 -1.32 -1.26 -5.11 115.64 104.69 3d4a s THR 89 Ca -0.04 -1.12 0.02 0.00 -1.21 0.00 0.00 61.69 59.34 3d4a s THR 89 Cb 0.10 -0.57 0.00 0.00 -1.51 0.00 0.00 72.50 70.52 3d4a s THR 89 CO 0.84 -0.61 -0.05 -0.36 -2.21 0.00 0.00 174.62 172.22 3d4a s PHE 90 N -2.05 0.51 -0.03 9.09 0.40 -1.25 -4.16 117.98 120.48 3d4a s PHE 90 Ca -0.10 -0.10 0.07 0.00 -0.60 0.00 0.00 56.93 56.19 3d4a s PHE 90 Cb -0.06 -0.36 -0.02 0.00 0.51 0.00 0.00 43.02 43.09 3d4a s PHE 90 CO -0.03 -0.04 -0.23 -0.65 0.70 0.00 0.00 175.22 174.97 3d4a s GLN 91 N 0.06 2.28 0.03 0.44 -0.21 0.12 -4.43 119.66 117.95 3d4a s GLN 91 Ca -0.00 -0.88 -0.30 0.00 0.02 0.00 0.00 55.36 54.20 3d4a s GLN 91 Cb -0.04 -2.14 -0.05 0.00 1.00 0.00 0.00 33.01 31.78 3d4a s GLN 91 CO -0.00 0.54 1.27 -2.00 -2.12 0.00 0.00 175.29 172.97 3d4a s GLU 92 N -0.54 4.37 -0.16 2.91 2.12 -0.28 -0.03 118.70 127.09 3d4a s GLU 92 Ca 0.08 1.83 -0.27 0.00 0.36 0.00 0.00 54.97 56.97 3d4a s GLU 92 Cb -0.11 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 3d4a s GLU 92 CO 0.00 -0.39 0.90 0.42 -0.54 0.00 0.00 175.26 175.65 3d4a s ILE 93 N 1.62 4.83 -0.41 -3.70 1.01 0.47 -1.28 121.20 123.75 3d4a s ILE 93 Ca 0.60 1.77 -0.21 0.00 0.00 0.00 0.00 60.65 62.81 3d4a s ILE 93 Cb -0.30 -4.20 0.02 0.00 0.01 0.00 0.00 42.46 37.99 3d4a s ILE 93 CO 0.27 -0.00 0.67 -0.62 0.00 0.00 0.00 174.94 175.25 3d4a s ASP 94 N 1.15 6.38 0.20 3.58 -1.08 0.85 -4.71 116.67 123.04 3d4a s ASP 94 Ca 0.41 -0.09 0.23 0.00 -0.52 0.00 0.00 52.55 52.58 3d4a s ASP 94 Cb -0.17 -2.33 0.91 0.00 -1.46 0.00 0.00 42.92 39.87 3d4a s ASP 94 CO 0.13 -0.73 1.71 -0.81 0.52 0.00 0.00 175.17 175.99 3d4a n PRO 95 N 6.25 0.17 -0.02 4.34 -0.04 -1.26 -0.76 135.00 143.68 3d4a n PRO 95 Ca -0.01 0.33 0.13 0.00 -0.04 0.00 0.00 63.50 63.91 3d4a n PRO 95 Cb 0.48 -1.78 0.40 0.00 -0.04 0.00 0.00 33.50 32.56 3d4a n PRO 95 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3d4a n ARG 96 N -2.10 1.85 0.00 0.54 0.00 -1.26 -4.84 116.66 110.85 3d4a n ARG 96 Ca 0.03 -1.24 0.00 0.00 -0.00 0.00 0.00 57.85 56.65 3d4a n ARG 96 Cb 0.27 -1.46 0.00 0.00 -0.00 0.00 0.00 32.46 31.27 3d4a n ARG 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63