#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d4a n ASP 2 N 0.00 2.17 -4.73 0.00 4.64 -1.26 -4.54 116.55 112.83 3d4a n ASP 2 Ca 0.00 0.00 -0.42 0.00 -1.38 0.00 0.00 54.79 52.99 3d4a n ASP 2 Cb 0.00 0.42 -0.02 0.00 -1.04 0.00 0.00 41.12 40.48 3d4a n ASP 2 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3d4a s PRO 3 N -0.90 4.17 0.33 -0.67 0.04 -1.26 -4.92 135.00 131.80 3d4a s PRO 3 Ca 0.00 2.49 -0.28 0.00 0.04 0.00 0.00 61.00 63.25 3d4a s PRO 3 Cb 0.00 -3.09 -0.09 0.00 0.04 0.00 0.00 34.50 31.36 3d4a s PRO 3 CO 0.00 -0.63 1.14 0.00 0.04 0.00 0.00 177.00 177.55 3d4a s ALA 4 N 0.66 3.32 0.12 8.56 0.00 -1.26 -4.99 121.76 128.18 3d4a s ALA 4 Ca 0.68 0.94 0.05 0.00 0.00 0.00 0.00 51.96 53.63 3d4a s ALA 4 Cb -0.46 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 3d4a s ALA 4 CO 0.38 -0.32 0.06 -0.51 0.00 0.00 0.00 175.76 175.36 3d4a s LEU 5 N -1.90 3.61 0.58 0.00 1.43 -1.26 -5.12 118.68 116.02 3d4a s LEU 5 Ca 0.50 -0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 53.25 3d4a s LEU 5 Cb -0.31 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 3d4a s LEU 5 CO 0.40 0.13 1.14 0.00 0.23 0.00 0.00 176.35 178.25 3d4a s ALA 6 N -1.53 2.61 0.02 4.21 0.00 -1.26 -4.79 121.76 121.03 3d4a s ALA 6 Ca 0.28 0.79 -0.12 0.00 0.00 0.00 0.00 51.96 52.91 3d4a s ALA 6 Cb -0.11 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.59 3d4a s ALA 6 CO 0.21 -0.95 0.39 -0.51 0.00 0.00 0.00 175.76 174.89 3d4a s ASP 7 N -1.94 6.71 -0.05 0.00 1.01 -1.26 -0.81 116.67 120.34 3d4a s ASP 7 Ca 0.72 0.86 0.03 0.00 0.71 0.00 0.00 52.55 54.87 3d4a s ASP 7 Cb -0.24 -2.21 0.01 0.00 1.01 0.00 0.00 42.92 41.49 3d4a s ASP 7 CO 0.31 0.27 -0.14 0.54 0.21 0.00 0.00 175.17 176.37 3d4a s VAL 8 N -1.20 1.20 0.40 -1.27 0.11 -0.63 -4.91 120.40 114.11 3d4a s VAL 8 Ca 0.27 -0.56 -0.27 0.00 -2.93 0.00 0.00 61.98 58.49 3d4a s VAL 8 Cb -0.15 -1.07 -0.10 0.00 -1.53 0.00 0.00 36.38 33.53 3d4a s VAL 8 CO 0.15 0.36 1.48 0.00 -3.33 0.00 0.00 175.10 173.76 3d4a h ARG 10 N 2.80 0.52 0.00 0.00 1.12 -0.33 -1.67 114.38 116.82 3d4a h ARG 10 Ca -0.51 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.33 3d4a h ARG 10 Cb 1.25 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 31.09 3d4a h ARG 10 CO 0.63 0.34 0.00 1.79 -3.11 0.00 0.00 179.97 179.63 3d4a h THR 11 N 0.54 0.00 0.00 0.20 1.35 -1.75 -2.29 112.91 110.95 3d4a h THR 11 Ca 0.24 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 3d4a h THR 11 Cb 0.16 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 3d4a h THR 11 CO -0.17 0.00 -0.63 0.11 -0.25 0.00 0.00 175.52 174.58 3d4a h LYS 12 N 0.00 0.00 -7.06 4.72 1.79 -1.60 -3.47 116.57 110.95 3d4a h LYS 12 Ca 0.00 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 3d4a h LYS 12 Cb 0.27 0.00 0.17 0.00 -1.58 0.00 0.00 32.23 31.09 3d4a h LYS 12 CO 0.00 0.00 0.36 1.28 -1.08 0.00 0.00 179.45 180.01 3d4a n LEU 13 N -2.22 5.04 -4.64 2.94 4.77 -0.86 -4.99 117.00 117.04 3d4a n LEU 13 Ca 0.03 0.76 -0.37 0.00 -0.03 0.00 0.00 56.01 56.39 3d4a n LEU 13 Cb 0.46 -1.50 0.06 0.00 -2.33 0.00 0.00 43.42 40.10 3d4a n LEU 13 CO 0.36 -1.41 0.62 -2.65 -1.33 0.00 0.00 177.39 172.99 3d4a n PRO 14 N -2.01 0.93 -0.16 3.23 -0.02 -1.26 -4.78 135.00 130.93 3d4a n PRO 14 Ca 0.15 0.36 0.10 0.00 -2.02 0.00 0.00 63.50 62.09 3d4a n PRO 14 Cb 0.49 -2.25 0.42 0.00 -0.02 0.00 0.00 33.50 32.14 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 0.46 0.53 0.42 2.55 4.64 -1.95 -1.34 113.55 118.86 3d4a h SER 15 Ca -0.49 0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 60.72 3d4a h SER 15 Cb 1.36 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 3d4a h SER 15 CO 0.51 0.32 -0.54 1.56 -0.87 0.00 0.00 176.83 177.80 3d4a h GLN 16 N 0.59 0.13 -0.06 4.77 1.08 -1.90 -2.56 115.11 117.16 3d4a h GLN 16 Ca 0.33 -0.08 -0.14 0.00 -1.45 0.00 0.00 58.65 57.31 3d4a h GLN 16 Cb 0.50 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.93 3d4a h GLN 16 CO -0.11 0.65 -0.58 0.00 -0.95 0.00 0.00 178.83 177.83 3d4a h ALA 17 N 1.34 0.91 -0.28 3.87 0.00 -1.58 -2.65 119.26 120.86 3d4a h ALA 17 Ca -0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 54.91 54.26 3d4a h ALA 17 Cb 1.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3d4a h ALA 17 CO 0.08 0.72 -0.32 1.96 0.00 0.00 0.00 179.25 181.69 3d4a h GLN 18 N 0.15 0.60 -0.38 0.00 4.20 -1.33 -2.58 115.11 115.76 3d4a h GLN 18 Ca -0.00 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.43 3d4a h GLN 18 Cb 1.07 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 3d4a h GLN 18 CO 0.09 0.84 0.21 -0.44 -0.67 0.00 0.00 178.83 178.86 3d4a h ASP 19 N 0.51 0.48 -0.82 1.46 3.32 -1.38 -1.63 116.42 118.37 3d4a h ASP 19 Ca 0.06 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.06 3d4a h ASP 19 Cb 0.80 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.17 3d4a h ASP 19 CO 0.07 0.43 0.51 0.74 -1.72 0.00 0.00 179.24 179.27 3d4a h THR 20 N 0.49 1.08 -0.71 0.35 2.02 -1.43 -0.24 112.91 114.47 3d4a h THR 20 Ca 0.13 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 3d4a h THR 20 Cb 0.06 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.47 3d4a h THR 20 CO -0.02 0.18 0.35 -0.07 0.37 0.00 0.00 175.52 176.32 3d4a h LEU 21 N 0.97 0.93 -0.73 2.58 3.38 -1.19 -0.91 115.31 120.34 3d4a h LEU 21 Ca 0.34 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 3d4a h LEU 21 Cb 0.08 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3d4a h LEU 21 CO -0.14 0.80 0.22 0.00 0.09 0.00 0.00 178.44 179.41 3d4a h ALA 22 N 1.17 0.96 -0.63 1.53 0.00 -0.80 -1.08 119.26 120.40 3d4a h ALA 22 Ca 0.24 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3d4a h ALA 22 Cb 0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3d4a h ALA 22 CO -0.03 0.65 0.39 -0.07 0.00 0.00 0.00 179.25 180.19 3d4a h LEU 23 N 1.09 0.75 0.16 0.00 3.38 -0.77 -1.55 115.31 118.37 3d4a h LEU 23 Ca 0.24 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3d4a h LEU 23 Cb 0.32 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3d4a h LEU 23 CO -0.01 0.57 -0.09 0.40 0.09 0.00 0.00 178.44 179.41 3d4a h ILE 24 N 0.85 0.82 -0.92 1.22 2.04 -0.95 0.16 117.51 120.73 3d4a h ILE 24 Ca 0.23 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.26 3d4a h ILE 24 Cb -0.05 0.82 -0.08 0.00 -0.74 0.00 0.00 36.82 36.77 3d4a h ILE 24 CO -0.04 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.70 3d4a h ALA 25 N 0.61 1.90 -0.00 1.87 0.00 -1.04 0.15 119.26 122.75 3d4a h ALA 25 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3d4a h ALA 25 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3d4a h ALA 25 CO 0.03 -0.19 -0.04 1.63 0.00 0.00 0.00 179.25 180.68 3d4a n LYS 26 N -4.59 0.67 -3.52 0.00 5.02 -0.60 -4.95 118.16 110.19 3d4a n LYS 26 Ca 0.19 -0.11 -0.21 0.00 -2.02 0.00 0.00 58.31 56.16 3d4a n LYS 26 Cb 0.56 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 34.15 3d4a n LYS 26 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3d4a n ASN 27 N -1.07 -4.19 -0.02 4.39 5.15 0.53 -4.77 115.26 115.29 3d4a n ASN 27 Ca 0.16 -0.59 0.00 0.00 -0.60 0.00 0.00 54.58 53.56 3d4a n ASN 27 Cb 0.23 -5.05 0.00 0.00 -0.53 0.00 0.00 39.78 34.43 3d4a n ASN 27 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3d4a n GLY 28 N -1.58 -1.93 3.81 8.20 0.00 0.44 -4.89 105.19 109.24 3d4a n GLY 28 Ca -0.14 -1.39 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 3d4a n GLY 28 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d4a s PRO 29 N 0.00 3.96 0.09 1.61 0.04 -1.26 -4.97 135.00 134.47 3d4a s PRO 29 Ca 0.00 1.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.28 3d4a s PRO 29 Cb 0.00 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 3d4a s PRO 29 CO 0.00 -0.28 0.27 0.71 0.04 0.00 0.00 177.00 177.74 3d4a s TYR 30 N -2.07 3.50 0.37 0.56 1.51 -1.26 -5.02 117.35 114.94 3d4a s TYR 30 Ca 0.65 0.36 0.16 0.00 -1.01 0.00 0.00 57.07 57.24 3d4a s TYR 30 Cb -0.13 -1.85 0.89 0.00 -0.11 0.00 0.00 41.96 40.76 3d4a s TYR 30 CO 0.18 0.54 1.89 -1.00 -1.11 0.00 0.00 175.55 176.04 3d4a h PRO 31 N 3.01 0.00 -6.79 -1.71 0.13 -1.99 -3.45 132.00 121.21 3d4a h PRO 31 Ca -0.45 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.00 3d4a h PRO 31 Cb 1.16 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.09 3d4a h PRO 31 CO 0.75 0.30 -0.83 0.71 -0.23 0.00 0.00 178.00 178.69 3d4a s TYR 32 N -4.21 2.41 0.17 1.56 2.02 -1.26 -5.02 117.35 113.02 3d4a s TYR 32 Ca -0.03 -0.33 0.27 0.00 -0.37 0.00 0.00 57.07 56.62 3d4a s TYR 32 Cb 0.14 -1.28 1.11 0.00 -0.40 0.00 0.00 41.96 41.53 3d4a s TYR 32 CO 0.69 0.38 1.90 -0.97 -1.57 0.00 0.00 175.55 175.99 3d4a h ASN 33 N 3.71 0.00 -0.02 2.29 -1.24 -2.05 -2.76 115.58 115.50 3d4a h ASN 33 Ca -0.50 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.51 3d4a h ASN 33 Cb 1.17 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.22 3d4a h ASN 33 CO 0.43 0.16 0.00 0.54 -1.29 0.00 0.00 177.43 177.27 3d4a n ARG 34 N -3.35 1.20 -2.60 6.67 3.00 -1.26 -4.81 116.66 115.51 3d4a n ARG 34 Ca -0.00 -0.29 -0.42 0.00 -0.01 0.00 0.00 57.85 57.12 3d4a n ARG 34 Cb 0.37 -1.42 -0.03 0.00 0.00 0.00 0.00 32.46 31.38 3d4a n ARG 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3d4a s ASP 35 N -1.83 7.20 0.00 0.55 -0.00 -1.04 -3.38 116.67 118.16 3d4a s ASP 35 Ca 0.39 1.70 0.00 0.00 -0.00 0.00 0.00 52.55 54.64 3d4a s ASP 35 Cb 0.19 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 40.54 3d4a s ASP 35 CO 0.31 -0.44 0.00 0.61 -0.00 0.00 0.00 175.17 175.65 3d4a n GLY 36 N 3.14 0.77 3.74 0.21 0.00 0.24 -4.98 105.19 108.30 3d4a n GLY 36 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3d4a n GLY 36 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d4a s VAL 37 N -3.08 2.72 0.24 1.61 -7.23 -1.22 -4.65 120.40 108.79 3d4a s VAL 37 Ca 0.00 0.33 -0.31 0.00 -1.81 0.00 0.00 61.98 60.18 3d4a s VAL 37 Cb 0.00 -2.82 -0.12 0.00 0.56 0.00 0.00 36.38 34.00 3d4a s VAL 37 CO 0.00 -0.22 1.67 1.33 -0.31 0.00 0.00 175.10 177.58 3d4a n VAL 38 N -2.79 0.36 -3.15 1.32 0.24 -1.26 -1.67 118.33 111.37 3d4a n VAL 38 Ca 0.12 -0.09 -0.41 0.00 -2.04 0.00 0.00 64.34 61.92 3d4a n VAL 38 Cb 0.51 -1.95 -0.07 0.00 -1.47 0.00 0.00 33.84 30.86 3d4a n VAL 38 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3d4a s PHE 39 N 0.75 3.23 -0.39 6.34 2.19 -0.80 -4.77 117.98 124.53 3d4a s PHE 39 Ca 0.71 0.58 0.26 0.00 0.33 0.00 0.00 56.93 58.81 3d4a s PHE 39 Cb -0.51 -2.92 0.70 0.00 -1.31 0.00 0.00 43.02 38.98 3d4a s PHE 39 CO 0.38 -0.43 1.73 0.93 1.83 0.00 0.00 175.22 179.66 3d4a h GLU 40 N 8.15 0.00 -5.95 10.12 5.08 -1.95 -3.38 114.58 126.65 3d4a h GLU 40 Ca -0.27 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.69 3d4a h GLU 40 Cb 1.12 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.46 3d4a h GLU 40 CO 0.78 0.00 -0.77 -1.71 -1.00 0.00 0.00 179.01 176.31 3d4a n ASN 41 N -2.87 -3.26 -0.28 1.42 5.15 -1.26 -4.91 115.26 109.25 3d4a n ASN 41 Ca 0.03 -0.69 0.04 0.00 -0.60 0.00 0.00 54.58 53.36 3d4a n ASN 41 Cb 0.44 -4.54 0.25 0.00 -0.53 0.00 0.00 39.78 35.40 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 -2.11 0.98 -0.20 1.20 3.08 -1.99 -2.81 114.38 112.52 3d4a h ARG 42 Ca -0.59 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.40 3d4a h ARG 42 Cb 1.36 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3d4a h ARG 42 CO 0.57 0.65 0.00 0.39 -1.07 0.00 0.00 179.97 180.50 3d4a n GLU 43 N -4.47 1.89 -2.67 0.04 4.71 -1.26 -4.94 120.64 113.94 3d4a n GLU 43 Ca 0.13 -1.34 -0.17 0.00 -0.01 0.00 0.00 57.16 55.77 3d4a n GLU 43 Cb 0.17 -1.42 -0.00 0.00 -1.01 0.00 0.00 31.44 29.18 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 0.57 -4.46 0.26 1.62 7.64 -1.06 -4.87 113.62 113.32 3d4a n SER 44 Ca 0.17 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.19 3d4a n SER 44 Cb 0.39 -3.73 0.60 0.00 -1.01 0.00 0.00 64.21 60.46 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 -0.34 0.00 -6.22 1.43 2.47 -1.92 -3.44 114.38 106.36 3d4a h ARG 45 Ca -0.38 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 57.79 3d4a h ARG 45 Cb 1.27 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.51 3d4a h ARG 45 CO 0.44 0.08 -0.61 -0.51 0.56 0.00 0.00 179.97 179.93 3d4a s LEU 46 N -6.44 3.38 0.27 3.04 1.43 -1.26 -4.94 118.68 114.16 3d4a s LEU 46 Ca 0.01 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 3d4a s LEU 46 Cb 0.09 -1.92 -0.13 0.00 0.03 0.00 0.00 46.19 44.26 3d4a s LEU 46 CO 0.58 0.00 1.38 -2.65 0.23 0.00 0.00 176.35 175.89 3d4a n PRO 47 N -0.87 2.07 -2.13 1.29 -0.02 -1.26 -4.41 135.00 129.67 3d4a n PRO 47 Ca -0.07 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 3d4a n PRO 47 Cb 0.58 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 3d4a n PRO 47 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3d4a s LYS 48 N -0.80 4.26 0.30 -0.52 2.36 -1.26 -4.66 119.74 119.41 3d4a s LYS 48 Ca 0.65 2.09 0.04 0.00 -2.55 0.00 0.00 55.97 56.20 3d4a s LYS 48 Cb -0.62 -3.55 -0.03 0.00 -1.05 0.00 0.00 37.83 32.57 3d4a s LYS 48 CO 0.53 -0.61 0.25 0.15 1.55 0.00 0.00 175.35 177.22 3d4a s LYS 49 N 2.37 1.62 1.13 4.03 -0.14 -1.26 -4.52 119.74 122.97 3d4a s LYS 49 Ca 0.67 -1.90 -0.16 0.00 -1.36 0.00 0.00 55.97 53.22 3d4a s LYS 49 Cb -0.34 0.32 0.25 0.00 -1.68 0.00 0.00 37.83 36.38 3d4a s LYS 49 CO 0.28 -0.59 1.09 0.20 -0.76 0.00 0.00 175.35 175.57 3d4a s GLY 50 N -3.31 1.56 0.22 -3.33 0.00 -1.26 -4.95 107.32 96.25 3d4a s GLY 50 Ca 0.40 -0.65 -0.30 0.00 0.00 0.00 0.00 44.72 44.16 3d4a s GLY 50 CO 0.23 0.12 1.42 -1.31 0.00 0.00 0.00 173.10 173.56 3d4a s ASN 51 N -3.58 6.71 0.00 1.64 0.01 -1.26 -3.10 114.94 115.35 3d4a s ASN 51 Ca 0.68 2.58 0.00 0.00 -0.71 0.00 0.00 52.86 55.42 3d4a s ASN 51 Cb -0.15 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.90 3d4a s ASN 51 CO 0.57 -0.67 0.00 0.61 -1.51 0.00 0.00 177.10 176.10 3d4a n GLY 52 N 2.48 0.81 0.23 0.66 0.00 -1.26 -4.95 105.19 103.16 3d4a n GLY 52 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 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 0.51 -3.77 1.61 3.20 -1.87 -3.45 116.97 113.20 3d4a h TYR 53 Ca 0.00 -0.11 -0.68 0.00 3.14 0.00 0.00 58.73 61.08 3d4a h TYR 53 Cb 0.00 -0.12 -0.19 0.00 1.54 0.00 0.00 36.73 37.95 3d4a h TYR 53 CO 0.00 0.69 -0.76 0.71 -1.64 0.00 0.00 178.16 177.16 3d4a s TYR 54 N -4.46 2.71 0.02 -3.82 1.51 -1.26 -1.20 117.35 110.85 3d4a s TYR 54 Ca -0.07 -0.16 -0.02 0.00 -1.01 0.00 0.00 57.07 55.81 3d4a s TYR 54 Cb 0.14 -1.51 -0.02 0.00 -0.11 0.00 0.00 41.96 40.46 3d4a s TYR 54 CO 0.79 0.32 0.01 -1.01 -1.11 0.00 0.00 175.55 174.56 3d4a s HIS 55 N -1.00 0.24 0.18 2.71 3.76 -1.03 -1.91 115.29 118.25 3d4a s HIS 55 Ca 0.17 -0.50 0.11 0.00 -0.15 0.00 0.00 55.06 54.69 3d4a s HIS 55 Cb -0.11 -0.18 -0.04 0.00 1.11 0.00 0.00 32.58 33.36 3d4a s HIS 55 CO 0.07 -0.24 -0.25 -1.83 -0.85 0.00 0.00 174.74 171.65 3d4a s GLU 56 N -1.77 1.50 -0.13 1.40 4.04 -0.67 -1.39 118.70 121.68 3d4a s GLU 56 Ca -0.13 -1.50 -0.09 0.00 0.04 0.00 0.00 54.97 53.29 3d4a s GLU 56 Cb -0.07 -1.85 0.04 0.00 0.02 0.00 0.00 34.13 32.26 3d4a s GLU 56 CO -0.02 0.41 0.32 -0.06 -1.84 0.00 0.00 175.26 174.07 3d4a s PHE 57 N -1.56 -0.39 0.43 4.83 0.08 -0.32 0.81 117.98 121.85 3d4a s PHE 57 Ca 0.20 0.92 -0.23 0.00 0.12 0.00 0.00 56.93 57.93 3d4a s PHE 57 Cb -0.08 0.13 -0.08 0.00 -0.57 0.00 0.00 43.02 42.42 3d4a s PHE 57 CO 0.09 -0.22 1.11 0.99 -0.10 0.00 0.00 175.22 177.10 3d4a s THR 58 N 0.64 3.39 -0.12 0.64 2.01 -1.26 -1.22 115.64 119.72 3d4a s THR 58 Ca -0.04 1.05 0.02 0.00 0.31 0.00 0.00 61.69 63.03 3d4a s THR 58 Cb -0.05 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 3d4a s THR 58 CO -0.04 -0.01 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.01 3d4a s VAL 59 N -1.60 2.53 0.21 3.82 1.01 -0.01 -4.78 120.40 121.58 3d4a s VAL 59 Ca 0.61 -0.85 -0.31 0.00 0.00 0.00 0.00 61.98 61.43 3d4a s VAL 59 Cb -0.25 -2.02 -0.11 0.00 0.00 0.00 0.00 36.38 33.99 3d4a s VAL 59 CO 0.31 0.54 1.60 -0.69 0.00 0.00 0.00 175.10 176.86 3d4a s VAL 60 N 0.39 2.35 -0.29 2.92 1.01 -1.26 -4.31 120.40 121.21 3d4a s VAL 60 Ca -0.14 0.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.98 3d4a s VAL 60 Cb -0.17 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3d4a s VAL 60 CO 0.07 0.03 0.25 -0.89 0.00 0.00 0.00 175.10 174.55 3d4a s THR 61 N 0.76 5.27 0.37 3.92 2.01 -1.26 -4.82 115.64 121.89 3d4a s THR 61 Ca 0.68 0.18 -0.28 0.00 0.31 0.00 0.00 61.69 62.59 3d4a s THR 61 Cb -0.46 -3.61 -0.10 0.00 0.01 0.00 0.00 72.50 68.34 3d4a s THR 61 CO 0.36 0.17 1.37 -2.84 -0.69 0.00 0.00 174.62 172.99 3d4a s PRO 62 N 1.83 4.14 0.00 4.92 0.02 -1.26 -5.03 135.00 139.63 3d4a s PRO 62 Ca 0.09 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.43 3d4a s PRO 62 Cb -0.16 -2.93 0.00 0.00 0.02 0.00 0.00 34.50 31.43 3d4a s PRO 62 CO 0.11 -0.41 0.00 0.41 -0.33 0.00 0.00 177.00 176.78 3d4a n GLY 63 N 0.65 0.92 0.00 0.52 0.00 -1.26 -5.25 105.19 100.77 3d4a n GLY 63 Ca 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3d4a n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d4a n ASP 66 N 1.21 0.00 0.00 1.61 5.68 -1.26 -5.17 116.55 118.62 3d4a n ASP 66 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 3d4a n ASP 66 Cb 0.35 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 3d4a n ASP 66 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 3d4a n ARG 67 N 1.81 0.00 0.00 0.11 0.63 -1.26 -5.05 116.66 112.90 3d4a n ARG 67 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3d4a n ARG 67 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3d4a n ARG 67 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3d4a n GLY 68 N 3.10 0.91 0.02 5.14 0.00 -1.26 -4.08 105.19 109.02 3d4a n GLY 68 Ca 0.00 -1.95 0.02 0.00 0.00 0.00 0.00 46.02 44.09 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 7.77 0.00 -2.60 2.61 -2.24 -1.26 -4.97 114.28 113.58 3d4a n THR 69 Ca 0.00 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 60.94 3d4a n THR 69 Cb 0.00 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 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 -1.25 4.52 0.01 -0.78 0.52 -1.26 -0.39 118.95 120.31 3d4a s ARG 70 Ca 0.02 1.55 -0.02 0.00 -0.52 0.00 0.00 55.73 56.76 3d4a s ARG 70 Cb 0.03 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 32.08 3d4a s ARG 70 CO 0.15 -0.12 0.03 1.03 0.02 0.00 0.00 175.30 176.41 3d4a s ARG 71 N 0.99 0.30 -0.07 3.54 1.81 0.62 -0.83 118.95 125.31 3d4a s ARG 71 Ca 0.54 -0.40 0.03 0.00 -1.72 0.00 0.00 55.73 54.19 3d4a s ARG 71 Cb -0.24 0.12 -0.02 0.00 -0.45 0.00 0.00 34.95 34.35 3d4a s ARG 71 CO 0.29 -0.06 -0.17 0.08 -0.68 0.00 0.00 175.30 174.76 3d4a s VAL 72 N -1.10 2.78 -0.13 3.52 1.01 -0.36 -0.68 120.40 125.44 3d4a s VAL 72 Ca -0.12 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.08 3d4a s VAL 72 Cb -0.07 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.22 3d4a s VAL 72 CO -0.00 0.57 -0.20 -0.69 0.00 0.00 0.00 175.10 174.78 3d4a s VAL 73 N -0.30 2.32 0.00 2.92 1.01 0.07 -1.17 120.40 125.26 3d4a s VAL 73 Ca 0.02 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 3d4a s VAL 73 Cb -0.13 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3d4a s VAL 73 CO 0.03 0.54 0.21 0.42 0.00 0.00 0.00 175.10 176.30 3d4a s THR 74 N 0.61 5.40 0.41 3.92 -4.23 -0.49 0.27 115.64 121.53 3d4a s THR 74 Ca -0.11 -0.10 0.08 0.00 -1.18 0.00 0.00 61.69 60.38 3d4a s THR 74 Cb -0.16 -3.55 -0.01 0.00 1.34 0.00 0.00 72.50 70.11 3d4a s THR 74 CO 0.03 0.31 0.46 -0.83 -0.54 0.00 0.00 174.62 174.04 3d4a s GLY 75 N -1.95 2.04 0.00 3.99 0.00 0.87 -2.46 107.32 109.81 3d4a s GLY 75 Ca 0.28 -1.78 0.16 0.00 0.00 0.00 0.00 44.72 43.38 3d4a s GLY 75 CO 0.19 -1.60 1.50 0.61 0.00 0.00 0.00 173.10 173.79 3d4a n GLY 76 N -1.67 -0.94 0.71 0.20 0.00 -0.34 -2.00 105.19 101.15 3d4a n GLY 76 Ca 0.05 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.08 3d4a n GLY 76 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3d4a n TYR 77 N -1.39 0.70 -0.41 1.61 4.01 -1.26 -4.97 117.16 115.45 3d4a n TYR 77 Ca 0.06 -0.79 0.00 0.00 -0.16 0.00 0.00 57.90 57.01 3d4a n TYR 77 Cb 0.16 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 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 -0.39 0.75 3.76 2.72 0.00 -0.85 -5.06 105.19 106.13 3d4a n GLY 78 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.19 2.32 -4.60 1.61 4.71 -1.25 -4.81 120.64 116.43 3d4a n GLU 79 Ca 0.00 0.82 -0.22 0.00 -0.01 0.00 0.00 57.16 57.75 3d4a n GLU 79 Cb 0.00 -2.63 -0.15 0.00 -1.01 0.00 0.00 31.44 27.65 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 -2.37 1.22 -0.04 3.49 -0.21 -1.26 -0.09 119.66 120.40 3d4a s GLN 80 Ca 0.60 -0.46 0.04 0.00 0.02 0.00 0.00 55.36 55.56 3d4a s GLN 80 Cb -0.46 -1.13 -0.00 0.00 1.00 0.00 0.00 33.01 32.42 3d4a s GLN 80 CO 0.59 0.22 -0.17 0.71 -2.12 0.00 0.00 175.29 174.52 3d4a s TYR 81 N -0.07 1.69 -0.14 0.91 1.51 0.14 -0.81 117.35 120.58 3d4a s TYR 81 Ca 0.00 -0.46 -0.14 0.00 -1.01 0.00 0.00 57.07 55.46 3d4a s TYR 81 Cb -0.08 -1.13 -0.05 0.00 -0.11 0.00 0.00 41.96 40.59 3d4a s TYR 81 CO 0.00 -0.15 0.32 -0.46 -1.11 0.00 0.00 175.55 174.16 3d4a s TRP 82 N -0.02 3.49 -0.25 2.71 -0.00 -0.05 -0.75 118.94 124.07 3d4a s TRP 82 Ca -0.02 0.66 -0.01 0.00 -0.00 0.00 0.00 56.10 56.73 3d4a s TRP 82 Cb -0.11 -2.36 0.07 0.00 -0.00 0.00 0.00 33.47 31.08 3d4a s TRP 82 CO 0.02 0.27 0.03 0.45 -0.00 0.00 0.00 176.95 177.72 3d4a s SER 83 N 0.35 3.65 0.00 5.86 0.15 0.15 -0.79 113.70 123.06 3d4a s SER 83 Ca 0.18 -1.26 0.29 0.00 0.70 0.00 0.00 55.95 55.86 3d4a s SER 83 Cb -0.13 -0.91 1.26 0.00 -1.71 0.00 0.00 66.02 64.53 3d4a s SER 83 CO 0.05 -0.32 1.90 -0.81 1.20 0.00 0.00 173.24 175.26 3d4a n PRO 84 N 4.83 0.34 -2.47 5.44 -0.04 -1.26 -0.28 135.00 141.56 3d4a n PRO 84 Ca -0.07 -0.06 -0.15 0.00 -0.04 0.00 0.00 63.50 63.18 3d4a n PRO 84 Cb 0.44 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.28 3.28 -3.79 3.54 5.68 -1.25 -4.21 116.55 118.53 3d4a n ASP 85 Ca 0.11 -3.05 -0.36 0.00 -0.50 0.00 0.00 54.79 50.99 3d4a n ASP 85 Cb 0.29 -0.44 0.04 0.00 -1.14 0.00 0.00 41.12 39.87 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 -0.51 -1.76 -0.94 2.11 -0.00 0.48 -2.91 115.22 111.68 3d4a n HIS 86 Ca 0.26 0.34 0.00 0.00 -0.00 0.00 0.00 57.72 58.32 3d4a n HIS 86 Cb 0.83 -3.25 0.00 0.00 -0.00 0.00 0.00 29.99 27.57 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 -4.43 0.00 -0.06 1.57 0.53 -1.26 -4.90 117.16 108.61 3d4a n TYR 87 Ca -0.10 0.00 -0.15 0.00 -1.02 0.00 0.00 57.90 56.63 3d4a n TYR 87 Cb 0.58 -0.53 -0.06 0.00 -1.03 0.00 0.00 39.34 38.30 3d4a n TYR 87 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3d4a h ALA 88 N 0.00 0.32 -2.28 -0.72 0.00 -1.93 -3.46 119.26 111.19 3d4a h ALA 88 Ca 0.00 -0.48 -0.32 0.00 0.00 0.00 0.00 54.91 54.11 3d4a h ALA 88 Cb 0.18 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 17.78 3d4a h ALA 88 CO 0.00 0.46 -0.72 0.95 0.00 0.00 0.00 179.25 179.95 3d4a s THR 89 N -3.99 1.15 -0.01 0.00 -4.23 -1.26 -5.08 115.64 102.21 3d4a s THR 89 Ca -0.12 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.37 3d4a s THR 89 Cb 0.07 -1.81 0.01 0.00 1.34 0.00 0.00 72.50 72.12 3d4a s THR 89 CO 0.84 -0.73 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.81 3d4a s PHE 90 N -3.25 0.33 -0.16 3.99 0.40 -1.26 -4.38 117.98 113.66 3d4a s PHE 90 Ca 0.16 -0.05 0.02 0.00 -0.60 0.00 0.00 56.93 56.46 3d4a s PHE 90 Cb 0.02 -0.29 0.02 0.00 0.51 0.00 0.00 43.02 43.28 3d4a s PHE 90 CO 0.00 -0.05 -0.20 -0.65 0.70 0.00 0.00 175.22 175.02 3d4a s GLN 91 N 0.32 2.92 0.01 0.44 -0.21 0.03 -4.28 119.66 118.89 3d4a s GLN 91 Ca -0.03 -0.81 -0.30 0.00 0.02 0.00 0.00 55.36 54.24 3d4a s GLN 91 Cb -0.06 -2.45 -0.07 0.00 1.00 0.00 0.00 33.01 31.43 3d4a s GLN 91 CO -0.01 -0.12 1.60 -2.00 -2.12 0.00 0.00 175.29 172.64 3d4a s GLU 92 N 1.09 4.21 -0.25 2.91 2.12 0.01 -0.87 118.70 127.92 3d4a s GLU 92 Ca -0.00 2.21 -0.29 0.00 0.36 0.00 0.00 54.97 57.24 3d4a s GLU 92 Cb -0.14 -3.72 0.00 0.00 0.26 0.00 0.00 34.13 30.53 3d4a s GLU 92 CO -0.08 -0.74 1.22 0.42 -0.54 0.00 0.00 175.26 175.54 3d4a s ILE 93 N 3.04 4.32 -0.42 -3.70 1.01 0.01 -1.60 121.20 123.86 3d4a s ILE 93 Ca 0.72 1.54 -0.28 0.00 0.00 0.00 0.00 60.65 62.63 3d4a s ILE 93 Cb -0.36 -4.18 0.02 0.00 0.01 0.00 0.00 42.46 37.96 3d4a s ILE 93 CO 0.30 -0.34 1.04 -0.62 0.00 0.00 0.00 174.94 175.32 3d4a s ASP 94 N 2.14 6.68 0.00 3.58 -1.08 0.13 -4.69 116.67 123.43 3d4a s ASP 94 Ca 0.52 0.56 0.29 0.00 -0.52 0.00 0.00 52.55 53.40 3d4a s ASP 94 Cb -0.17 -2.51 1.19 0.00 -1.46 0.00 0.00 42.92 39.97 3d4a s ASP 94 CO 0.17 -1.05 1.86 -0.81 0.52 0.00 0.00 175.17 175.87 3d4a n PRO 95 N 7.27 0.31 0.16 4.34 -0.04 -1.26 -0.45 135.00 145.33 3d4a n PRO 95 Ca 0.10 -0.07 0.13 0.00 -0.04 0.00 0.00 63.50 63.62 3d4a n PRO 95 Cb 0.48 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.88 3d4a n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d4a h ARG 96 N 0.18 0.00 0.00 0.54 3.08 -1.97 -3.46 114.38 112.75 3d4a h ARG 96 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3d4a h ARG 96 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3d4a h ARG 96 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90