#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1py3 s PRO 3 N 0.00 3.92 -0.30 0.00 0.04 -1.26 -5.08 135.00 132.32 1py3 s PRO 3 Ca 0.00 0.41 -0.22 0.00 0.04 0.00 0.00 61.00 61.22 1py3 s PRO 3 Cb 0.00 -3.07 -0.00 0.00 0.04 0.00 0.00 34.50 31.46 1py3 s PRO 3 CO 0.00 0.59 0.73 0.00 0.04 0.00 0.00 177.00 178.35 1py3 s ALA 4 N -1.29 3.53 0.15 8.56 0.00 -1.26 -4.82 121.76 126.64 1py3 s ALA 4 Ca 0.31 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 51.83 1py3 s ALA 4 Cb -0.16 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1py3 s ALA 4 CO 0.17 -1.14 0.03 -0.51 0.00 0.00 0.00 175.76 174.31 1py3 s LEU 5 N 2.82 3.46 0.85 0.00 1.43 -1.26 -5.12 118.68 120.87 1py3 s LEU 5 Ca 0.30 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.00 1py3 s LEU 5 Cb -0.14 -2.12 0.10 0.00 0.03 0.00 0.00 46.19 44.06 1py3 s LEU 5 CO 0.12 0.10 1.09 0.00 0.23 0.00 0.00 176.35 177.90 1py3 s ALA 6 N -1.65 1.84 0.05 4.21 0.00 -1.26 -4.82 121.76 120.14 1py3 s ALA 6 Ca 0.28 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.20 1py3 s ALA 6 Cb -0.10 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1py3 s ALA 6 CO 0.20 -2.09 -0.20 -0.51 0.00 0.00 0.00 175.76 173.15 1py3 s ASP 7 N -3.62 3.65 -0.11 0.00 1.11 -1.26 -0.38 116.67 116.05 1py3 s ASP 7 Ca 0.62 -0.49 -0.05 0.00 0.18 0.00 0.00 52.55 52.81 1py3 s ASP 7 Cb -0.16 -0.52 0.05 0.00 1.07 0.00 0.00 42.92 43.36 1py3 s ASP 7 CO 0.56 0.24 0.25 0.54 1.18 0.00 0.00 175.17 177.94 1py3 s VAL 8 N -0.93 -0.08 0.32 -1.27 0.11 -0.14 -4.88 120.40 113.53 1py3 s VAL 8 Ca 0.14 0.16 -0.29 0.00 -2.93 0.00 0.00 61.98 59.06 1py3 s VAL 8 Cb -0.10 -0.39 -0.10 0.00 -1.53 0.00 0.00 36.38 34.25 1py3 s VAL 8 CO 0.05 0.07 1.34 0.00 -3.33 0.00 0.00 175.10 173.23 1py3 h ARG 10 N 3.64 0.35 0.00 0.00 1.12 -0.70 -1.33 114.38 117.47 1py3 h ARG 10 Ca -0.49 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.36 1py3 h ARG 10 Cb 1.23 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 31.11 1py3 h ARG 10 CO 0.67 0.23 0.00 1.79 -3.11 0.00 0.00 179.97 179.56 1py3 h THR 11 N 0.36 0.00 -0.01 0.20 1.35 -1.70 -2.42 112.91 110.69 1py3 h THR 11 Ca 0.39 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 66.07 1py3 h THR 11 Cb 0.61 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1py3 h THR 11 CO -0.43 0.00 -0.42 0.29 -0.25 0.00 0.00 175.52 174.71 1py3 n LYS 12 N -2.31 0.60 -1.77 4.72 4.76 -0.51 -4.90 118.16 118.74 1py3 n LYS 12 Ca 0.01 -0.39 -0.34 0.00 -2.87 0.00 0.00 58.31 54.72 1py3 n LYS 12 Cb 0.18 -1.49 0.05 0.00 -1.84 0.00 0.00 35.03 31.92 1py3 n LYS 12 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1py3 s LEU 13 N -2.67 3.44 0.70 -0.35 1.43 -0.91 -5.01 118.68 115.31 1py3 s LEU 13 Ca 0.19 2.11 -0.16 0.00 -1.03 0.00 0.00 54.13 55.24 1py3 s LEU 13 Cb 0.18 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.83 1py3 s LEU 13 CO 0.61 -1.70 0.93 -2.65 0.23 0.00 0.00 176.35 173.77 1py3 n PRO 14 N -2.28 0.55 0.17 1.29 -0.02 -1.26 -4.78 135.00 128.68 1py3 n PRO 14 Ca 0.11 0.24 0.03 0.00 -2.02 0.00 0.00 63.50 61.87 1py3 n PRO 14 Cb 0.51 -2.18 0.42 0.00 -0.02 0.00 0.00 33.50 32.23 1py3 n PRO 14 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1py3 h SER 15 N -0.14 0.09 -0.07 2.55 4.64 -1.96 -1.86 113.55 116.80 1py3 h SER 15 Ca -0.47 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 60.75 1py3 h SER 15 Cb 1.34 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 1py3 h SER 15 CO 0.47 0.31 -0.17 1.56 -0.87 0.00 0.00 176.83 178.13 1py3 h GLN 16 N 0.09 0.44 -0.21 4.77 7.50 -1.89 -0.76 115.11 125.03 1py3 h GLN 16 Ca 0.02 -0.14 -0.19 0.00 0.50 0.00 0.00 58.65 58.84 1py3 h GLN 16 Cb 0.43 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 27.92 1py3 h GLN 16 CO 0.03 0.60 -0.62 0.00 -1.50 0.00 0.00 178.83 177.34 1py3 h ALA 17 N 1.42 0.49 -0.48 3.87 0.00 -1.68 -2.38 119.26 120.51 1py3 h ALA 17 Ca 0.07 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1py3 h ALA 17 Cb 0.54 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1py3 h ALA 17 CO 0.03 0.69 0.12 1.96 0.00 0.00 0.00 179.25 182.05 1py3 h GLN 18 N 0.55 0.76 -0.87 0.00 4.20 -1.06 -1.31 115.11 117.38 1py3 h GLN 18 Ca -0.01 -0.18 0.13 0.00 0.06 0.00 0.00 58.65 58.65 1py3 h GLN 18 Cb 1.22 -0.10 -0.09 0.00 0.30 0.00 0.00 27.48 28.81 1py3 h GLN 18 CO 0.13 0.75 0.48 -0.44 -0.67 0.00 0.00 178.83 179.07 1py3 h ASP 19 N 0.65 0.62 -0.60 1.46 3.32 -1.06 -1.55 116.42 119.26 1py3 h ASP 19 Ca 0.15 0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.19 1py3 h ASP 19 Cb 0.32 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1py3 h ASP 19 CO 0.00 0.29 0.03 0.74 -1.72 0.00 0.00 179.24 178.59 1py3 h THR 20 N 0.71 1.26 -0.83 0.35 2.02 -0.96 -1.50 112.91 113.98 1py3 h THR 20 Ca 0.46 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1py3 h THR 20 Cb 0.58 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 1py3 h THR 20 CO -0.32 0.40 0.48 -0.07 0.37 0.00 0.00 175.52 176.38 1py3 h LEU 21 N 0.97 1.00 -0.62 2.58 3.38 -0.52 -1.06 115.31 121.03 1py3 h LEU 21 Ca 0.18 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1py3 h LEU 21 Cb 0.51 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1py3 h LEU 21 CO 0.02 0.78 0.00 0.00 0.09 0.00 0.00 178.44 179.33 1py3 h ALA 22 N 1.39 0.84 -0.60 1.53 0.00 -1.06 -1.75 119.26 119.61 1py3 h ALA 22 Ca 0.29 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1py3 h ALA 22 Cb -0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1py3 h ALA 22 CO -0.05 0.67 0.24 1.25 0.00 0.00 0.00 179.25 181.36 1py3 h LEU 23 N 0.99 0.83 -0.77 0.00 6.46 -0.80 -2.65 115.31 119.37 1py3 h LEU 23 Ca 0.17 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1py3 h LEU 23 Cb 0.56 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.24 1py3 h LEU 23 CO 0.03 0.78 0.49 0.40 -0.62 0.00 0.00 178.44 179.52 1py3 h ILE 24 N 0.83 1.21 0.00 4.05 2.04 -1.00 -1.79 117.51 122.85 1py3 h ILE 24 Ca 0.20 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1py3 h ILE 24 Cb 0.21 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1py3 h ILE 24 CO -0.02 0.20 -0.07 0.00 0.00 0.00 0.00 178.15 178.27 1py3 h ALA 25 N 1.27 1.71 -0.59 1.87 0.00 -1.02 -1.64 119.26 120.86 1py3 h ALA 25 Ca 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1py3 h ALA 25 Cb -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1py3 h ALA 25 CO -0.06 0.08 0.00 0.36 0.00 0.00 0.00 179.25 179.64 1py3 n LYS 26 N -4.20 2.66 -3.30 0.00 2.85 -1.02 -4.98 118.16 110.18 1py3 n LYS 26 Ca -0.03 -2.47 -0.17 0.00 -1.05 0.00 0.00 58.31 54.60 1py3 n LYS 26 Cb 0.15 -1.50 0.07 0.00 -0.65 0.00 0.00 35.03 33.09 1py3 n LYS 26 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1py3 n ASN 27 N 1.42 -4.01 0.00 -5.58 4.13 -0.62 -4.78 115.26 105.82 1py3 n ASN 27 Ca 0.21 -0.47 0.00 0.00 1.68 0.00 0.00 54.58 56.00 1py3 n ASN 27 Cb 0.58 -4.25 0.00 0.00 -1.54 0.00 0.00 39.78 34.58 1py3 n ASN 27 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1py3 n GLY 28 N -1.46 -1.18 3.77 7.41 0.00 -0.71 -4.80 105.19 108.22 1py3 n GLY 28 Ca -0.10 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 44.06 1py3 n GLY 28 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1py3 s PRO 29 N 0.00 3.66 -0.18 1.61 0.02 -1.26 -4.97 135.00 133.88 1py3 s PRO 29 Ca 0.00 1.78 -0.12 0.00 0.02 0.00 0.00 61.00 62.68 1py3 s PRO 29 Cb 0.00 -2.34 -0.05 0.00 0.02 0.00 0.00 34.50 32.13 1py3 s PRO 29 CO 0.00 -0.63 0.22 0.71 -0.33 0.00 0.00 177.00 176.96 1py3 s TYR 30 N -1.56 3.43 -0.18 6.54 1.51 -1.26 -5.00 117.35 120.83 1py3 s TYR 30 Ca 0.65 0.46 0.16 0.00 -1.01 0.00 0.00 57.07 57.34 1py3 s TYR 30 Cb -0.29 -2.27 0.05 0.00 -0.11 0.00 0.00 41.96 39.34 1py3 s TYR 30 CO 0.35 0.24 1.34 -1.00 -1.11 0.00 0.00 175.55 175.36 1py3 h PRO 31 N 6.75 0.00 -6.06 -1.71 0.13 -1.99 -3.47 132.00 125.65 1py3 h PRO 31 Ca -0.41 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.04 1py3 h PRO 31 Cb 1.16 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.13 1py3 h PRO 31 CO 0.75 0.40 -0.65 0.71 -0.23 0.00 0.00 178.00 178.99 1py3 s TYR 32 N -2.99 3.08 0.31 1.56 4.12 -1.26 -5.02 117.35 117.15 1py3 s TYR 32 Ca 0.03 0.13 0.07 0.00 0.02 0.00 0.00 57.07 57.31 1py3 s TYR 32 Cb 0.08 -1.74 0.86 0.00 -1.52 0.00 0.00 41.96 39.64 1py3 s TYR 32 CO 0.75 0.43 1.63 -0.97 0.02 0.00 0.00 175.55 177.41 1py3 h ASN 33 N 5.04 0.07 -0.45 2.29 -1.24 -2.04 -0.69 115.58 118.56 1py3 h ASN 33 Ca -0.50 0.22 0.00 0.00 0.71 0.00 0.00 56.30 56.73 1py3 h ASN 33 Cb 1.18 0.27 0.00 0.00 0.73 0.00 0.00 38.32 40.51 1py3 h ASN 33 CO 0.54 -0.21 0.00 0.54 -1.29 0.00 0.00 177.43 177.01 1py3 n ARG 34 N -5.23 2.09 -1.99 6.67 3.00 -1.26 -4.91 116.66 115.02 1py3 n ARG 34 Ca 0.26 -1.69 -0.42 0.00 -0.01 0.00 0.00 57.85 55.99 1py3 n ARG 34 Cb 0.82 -1.38 -0.03 0.00 0.00 0.00 0.00 32.46 31.88 1py3 n ARG 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1py3 s ASP 35 N -1.06 6.65 0.00 0.55 -0.00 -0.27 -2.25 116.67 120.29 1py3 s ASP 35 Ca 0.32 2.51 0.00 0.00 -0.00 0.00 0.00 52.55 55.38 1py3 s ASP 35 Cb 0.17 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.51 1py3 s ASP 35 CO 0.22 -0.81 0.00 0.61 -0.00 0.00 0.00 175.17 175.20 1py3 n GLY 36 N 3.77 0.74 3.86 0.21 0.00 0.01 -4.99 105.19 108.79 1py3 n GLY 36 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1py3 n GLY 36 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1py3 s VAL 37 N -2.72 4.21 0.22 1.61 -7.23 -0.95 -4.73 120.40 110.80 1py3 s VAL 37 Ca 0.00 0.72 -0.31 0.00 -1.81 0.00 0.00 61.98 60.57 1py3 s VAL 37 Cb 0.00 -3.67 -0.11 0.00 0.56 0.00 0.00 36.38 33.16 1py3 s VAL 37 CO 0.00 -0.94 1.66 -0.69 -0.31 0.00 0.00 175.10 174.82 1py3 s VAL 38 N -3.21 2.17 -0.30 1.32 1.01 -1.26 -1.05 120.40 119.08 1py3 s VAL 38 Ca 0.57 0.12 -0.21 0.00 0.00 0.00 0.00 61.98 62.46 1py3 s VAL 38 Cb -0.12 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 1py3 s VAL 38 CO 0.54 0.01 0.64 0.12 0.00 0.00 0.00 175.10 176.41 1py3 s PHE 39 N 0.91 3.22 0.13 5.22 2.19 -0.87 -4.75 117.98 124.03 1py3 s PHE 39 Ca 0.71 0.63 -0.02 0.00 0.33 0.00 0.00 56.93 58.58 1py3 s PHE 39 Cb -0.48 -2.99 -0.09 0.00 -1.31 0.00 0.00 43.02 38.14 1py3 s PHE 39 CO 0.35 -0.47 1.31 0.93 1.83 0.00 0.00 175.22 179.17 1py3 h GLU 40 N 8.15 0.31 -3.13 10.12 3.07 -1.94 -3.39 114.58 127.77 1py3 h GLU 40 Ca -0.26 -0.36 -0.30 0.00 -0.50 0.00 0.00 59.36 57.93 1py3 h GLU 40 Cb 1.12 0.11 0.03 0.00 -0.84 0.00 0.00 28.75 29.17 1py3 h GLU 40 CO 0.81 1.07 -0.44 -1.71 -1.40 0.00 0.00 179.01 177.33 1py3 n ASN 41 N -3.68 -4.89 0.23 1.42 5.15 -1.26 -4.89 115.26 107.35 1py3 n ASN 41 Ca -0.06 -0.16 0.11 0.00 -0.60 0.00 0.00 54.58 53.87 1py3 n ASN 41 Cb 0.85 -3.81 0.54 0.00 -0.53 0.00 0.00 39.78 36.83 1py3 n ASN 41 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1py3 h ARG 42 N -0.78 0.00 -0.00 1.20 2.47 -1.99 -2.08 114.38 113.20 1py3 h ARG 42 Ca -0.39 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 1py3 h ARG 42 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 1py3 h ARG 42 CO 0.43 0.20 -0.01 0.39 0.56 0.00 0.00 179.97 181.54 1py3 n GLU 43 N -3.45 0.76 -3.18 0.04 1.02 -1.26 -4.93 120.64 109.65 1py3 n GLU 43 Ca -0.00 -0.04 -0.23 0.00 -0.02 0.00 0.00 57.16 56.87 1py3 n GLU 43 Cb 0.38 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.32 1py3 n GLU 43 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1py3 n SER 44 N -1.09 -5.17 0.14 1.62 7.64 -0.78 -4.88 113.62 111.09 1py3 n SER 44 Ca 0.19 -0.34 0.03 0.00 1.01 0.00 0.00 58.87 59.76 1py3 n SER 44 Cb 0.18 -4.21 0.03 0.00 -1.01 0.00 0.00 64.21 59.20 1py3 n SER 44 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1py3 h ARG 45 N -1.26 0.00 -6.19 1.43 3.08 -1.92 -3.46 114.38 106.06 1py3 h ARG 45 Ca -0.49 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.06 1py3 h ARG 45 Cb 1.34 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.35 1py3 h ARG 45 CO 0.56 0.49 -0.43 -0.51 -1.07 0.00 0.00 179.97 179.00 1py3 s LEU 46 N -6.44 3.55 0.59 3.04 1.43 -1.26 -4.87 118.68 114.72 1py3 s LEU 46 Ca 0.04 -0.55 -0.20 0.00 -1.03 0.00 0.00 54.13 52.39 1py3 s LEU 46 Cb 0.07 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 1py3 s LEU 46 CO 0.75 -0.42 1.15 -2.65 0.23 0.00 0.00 176.35 175.41 1py3 n PRO 47 N -1.41 1.18 -2.35 1.29 -0.02 -1.26 -4.88 135.00 127.55 1py3 n PRO 47 Ca -0.01 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 1py3 n PRO 47 Cb 0.60 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 1py3 n PRO 47 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1py3 s LYS 48 N -2.90 4.36 0.22 -0.52 2.20 -1.26 -5.01 119.74 116.82 1py3 s LYS 48 Ca 0.76 1.83 0.04 0.00 -0.36 0.00 0.00 55.97 58.23 1py3 s LYS 48 Cb -0.42 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.44 1py3 s LYS 48 CO 0.46 -0.41 0.21 1.63 -0.36 0.00 0.00 175.35 176.88 1py3 n LYS 49 N 4.66 0.30 -1.32 4.03 4.76 -1.26 -5.16 118.16 124.17 1py3 n LYS 49 Ca 0.11 -2.09 -0.36 0.00 -2.87 0.00 0.00 58.31 53.09 1py3 n LYS 49 Cb 0.45 1.77 0.07 0.00 -1.84 0.00 0.00 35.03 35.48 1py3 n LYS 49 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1py3 n GLY 50 N -0.40 -1.14 3.68 0.72 0.00 -1.26 -4.95 105.19 101.83 1py3 n GLY 50 Ca 0.04 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 1py3 n GLY 50 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1py3 n ASN 51 N -0.70 1.75 0.00 1.61 3.02 -1.26 -2.61 115.26 117.06 1py3 n ASN 51 Ca 0.11 0.90 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 1py3 n ASN 51 Cb 0.49 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.18 1py3 n ASN 51 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1py3 n GLY 52 N 1.02 0.35 0.17 7.41 0.00 -1.26 -4.87 105.19 108.01 1py3 n GLY 52 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1py3 n GLY 52 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1py3 h TYR 53 N 0.00 0.47 -3.01 1.61 3.20 -1.80 -3.45 116.97 114.00 1py3 h TYR 53 Ca 0.00 -0.21 -0.64 0.00 3.14 0.00 0.00 58.73 61.01 1py3 h TYR 53 Cb 0.28 -0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.41 1py3 h TYR 53 CO 0.18 0.97 -0.55 0.71 -1.64 0.00 0.00 178.16 177.83 1py3 s TYR 54 N -3.56 3.38 0.13 -3.82 1.51 -1.26 -2.71 117.35 111.01 1py3 s TYR 54 Ca -0.05 0.23 0.07 0.00 -1.01 0.00 0.00 57.07 56.31 1py3 s TYR 54 Cb 0.11 -1.75 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 1py3 s TYR 54 CO 0.83 0.58 -0.16 -1.01 -1.11 0.00 0.00 175.55 174.68 1py3 s HIS 55 N -1.31 1.55 0.20 2.71 3.76 -0.61 -2.04 115.29 119.55 1py3 s HIS 55 Ca 0.27 -0.51 0.11 0.00 -0.15 0.00 0.00 55.06 54.78 1py3 s HIS 55 Cb -0.12 -0.81 -0.04 0.00 1.11 0.00 0.00 32.58 32.72 1py3 s HIS 55 CO 0.19 0.20 -0.18 -1.83 -0.85 0.00 0.00 174.74 172.26 1py3 s GLU 56 N -2.56 1.73 -0.02 1.40 -1.05 -0.21 -1.03 118.70 116.96 1py3 s GLU 56 Ca 0.10 -1.47 -0.02 0.00 -0.15 0.00 0.00 54.97 53.43 1py3 s GLU 56 Cb -0.06 -1.94 0.00 0.00 -0.44 0.00 0.00 34.13 31.69 1py3 s GLU 56 CO 0.04 0.40 0.05 -0.06 0.95 0.00 0.00 175.26 176.64 1py3 s PHE 57 N -1.80 -0.03 0.24 4.83 0.08 0.15 -0.81 117.98 120.65 1py3 s PHE 57 Ca 0.23 0.08 -0.30 0.00 0.12 0.00 0.00 56.93 57.06 1py3 s PHE 57 Cb -0.08 0.00 -0.09 0.00 -0.57 0.00 0.00 43.02 42.28 1py3 s PHE 57 CO 0.12 -0.05 1.01 0.99 -0.10 0.00 0.00 175.22 177.19 1py3 s THR 58 N -0.13 3.87 -0.13 0.64 2.01 -1.26 -0.93 115.64 119.71 1py3 s THR 58 Ca -0.02 1.86 0.01 0.00 0.31 0.00 0.00 61.69 63.85 1py3 s THR 58 Cb -0.01 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 1py3 s THR 58 CO 0.00 0.43 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.50 1py3 s VAL 59 N -1.07 2.60 0.23 3.82 1.01 -0.89 -4.84 120.40 121.27 1py3 s VAL 59 Ca 0.43 -0.81 -0.31 0.00 0.00 0.00 0.00 61.98 61.29 1py3 s VAL 59 Cb -0.28 -2.07 -0.10 0.00 0.00 0.00 0.00 36.38 33.93 1py3 s VAL 59 CO 0.35 0.53 1.51 -0.69 0.00 0.00 0.00 175.10 176.80 1py3 s VAL 60 N 0.49 2.55 -0.32 2.92 1.01 -1.26 -4.31 120.40 121.48 1py3 s VAL 60 Ca -0.12 0.44 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 1py3 s VAL 60 Cb -0.16 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1py3 s VAL 60 CO 0.05 0.06 0.14 -0.89 0.00 0.00 0.00 175.10 174.46 1py3 s THR 61 N 0.39 4.43 0.00 3.92 2.01 -1.26 -4.83 115.64 120.30 1py3 s THR 61 Ca 0.64 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.06 1py3 s THR 61 Cb -0.43 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 68.77 1py3 s THR 61 CO 0.40 0.02 0.08 -2.65 -0.69 0.00 0.00 174.62 171.77 1py3 n PRO 62 N 4.95 0.00 0.00 4.92 -0.02 -1.26 -5.02 135.00 138.57 1py3 n PRO 62 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1py3 n PRO 62 Cb 0.48 -0.75 0.00 0.00 -0.02 0.00 0.00 33.50 33.22 1py3 n PRO 62 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1py3 n ARG 67 N 2.02 0.00 0.00 -0.52 3.00 -1.26 0.00 116.66 119.90 1py3 n ARG 67 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1py3 n ARG 67 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.50 1py3 n ARG 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1py3 n GLY 68 N 0.00 -1.83 0.03 5.14 0.00 -1.26 -4.75 105.19 102.52 1py3 n GLY 68 Ca 0.00 -1.37 0.01 0.00 0.00 0.00 0.00 46.02 44.66 1py3 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1py3 n THR 69 N -0.03 0.00 -3.08 2.61 -2.24 -1.26 -5.01 114.28 105.27 1py3 n THR 69 Ca 0.00 -0.46 -0.39 0.00 -2.27 0.00 0.00 64.05 60.93 1py3 n THR 69 Cb 0.00 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.19 1py3 n THR 69 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1py3 s ARG 70 N -0.93 4.43 0.01 -0.78 0.52 -1.26 -3.90 118.95 117.04 1py3 s ARG 70 Ca 0.01 0.98 -0.03 0.00 -0.52 0.00 0.00 55.73 56.18 1py3 s ARG 70 Cb 0.02 -3.29 -0.01 0.00 0.52 0.00 0.00 34.95 32.18 1py3 s ARG 70 CO 0.07 0.48 0.04 1.03 0.02 0.00 0.00 175.30 176.94 1py3 s ARG 71 N -0.72 0.37 -0.06 3.54 1.81 -0.43 -2.09 118.95 121.38 1py3 s ARG 71 Ca 0.34 -0.52 0.03 0.00 -1.72 0.00 0.00 55.73 53.86 1py3 s ARG 71 Cb -0.21 0.14 -0.03 0.00 -0.45 0.00 0.00 34.95 34.41 1py3 s ARG 71 CO 0.23 -0.07 -0.12 0.08 -0.68 0.00 0.00 175.30 174.73 1py3 s VAL 72 N -1.42 3.21 -0.11 3.52 1.01 -0.10 -1.29 120.40 125.23 1py3 s VAL 72 Ca -0.15 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1py3 s VAL 72 Cb -0.09 -2.28 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 1py3 s VAL 72 CO 0.00 0.59 -0.22 -0.69 0.00 0.00 0.00 175.10 174.77 1py3 s VAL 73 N -0.68 2.18 0.12 2.92 1.01 -0.28 -0.68 120.40 124.99 1py3 s VAL 73 Ca 0.10 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.15 1py3 s VAL 73 Cb -0.11 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1py3 s VAL 73 CO 0.01 0.55 0.13 0.42 0.00 0.00 0.00 175.10 176.21 1py3 s THR 74 N 0.38 4.64 0.37 3.92 -4.23 -0.20 -0.46 115.64 120.06 1py3 s THR 74 Ca -0.17 -0.86 0.07 0.00 -1.18 0.00 0.00 61.69 59.55 1py3 s THR 74 Cb -0.18 -3.30 -0.02 0.00 1.34 0.00 0.00 72.50 70.34 1py3 s THR 74 CO 0.08 0.01 0.38 -0.83 -0.54 0.00 0.00 174.62 173.72 1py3 s GLY 75 N -2.76 1.87 0.00 3.99 0.00 -0.08 -1.57 107.32 108.78 1py3 s GLY 75 Ca 0.31 -1.69 0.23 0.00 0.00 0.00 0.00 44.72 43.57 1py3 s GLY 75 CO 0.23 -1.57 1.75 0.61 0.00 0.00 0.00 173.10 174.13 1py3 n GLY 76 N -1.52 -1.13 0.38 0.20 0.00 -1.10 -2.03 105.19 99.99 1py3 n GLY 76 Ca 0.01 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.97 1py3 n GLY 76 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1py3 n TYR 77 N -1.36 0.31 0.00 1.61 4.01 -1.26 -4.97 117.16 115.50 1py3 n TYR 77 Ca 0.09 -0.60 0.00 0.00 -0.16 0.00 0.00 57.90 57.24 1py3 n TYR 77 Cb 0.21 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 1py3 n TYR 77 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1py3 n GLY 78 N -0.18 0.68 3.74 2.72 0.00 -0.86 -5.08 105.19 106.21 1py3 n GLY 78 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1py3 n GLY 78 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1py3 n GLU 79 N -1.89 1.70 -4.51 1.61 4.71 -1.26 -4.80 120.64 116.20 1py3 n GLU 79 Ca 0.00 0.62 -0.21 0.00 -0.01 0.00 0.00 57.16 57.56 1py3 n GLU 79 Cb 0.00 -2.55 -0.15 0.00 -1.01 0.00 0.00 31.44 27.73 1py3 n GLU 79 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1py3 s GLN 80 N -2.82 1.09 0.02 3.49 -0.21 -1.26 -0.90 119.66 119.08 1py3 s GLN 80 Ca 0.71 -0.39 0.05 0.00 0.02 0.00 0.00 55.36 55.74 1py3 s GLN 80 Cb -0.42 -1.01 -0.02 0.00 1.00 0.00 0.00 33.01 32.55 1py3 s GLN 80 CO 0.50 0.18 -0.14 0.71 -2.12 0.00 0.00 175.29 174.42 1py3 s TYR 81 N 0.01 1.26 -0.10 0.91 1.51 0.39 -1.39 117.35 119.94 1py3 s TYR 81 Ca -0.01 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.74 1py3 s TYR 81 Cb -0.08 -0.77 -0.02 0.00 -0.11 0.00 0.00 41.96 40.98 1py3 s TYR 81 CO 0.00 0.02 -0.10 -0.46 -1.11 0.00 0.00 175.55 173.90 1py3 s TRP 82 N -0.68 2.86 -0.25 2.71 -0.00 0.21 -1.12 118.94 122.67 1py3 s TRP 82 Ca 0.03 -0.32 -0.01 0.00 -0.00 0.00 0.00 56.10 55.80 1py3 s TRP 82 Cb -0.07 -1.79 0.07 0.00 -0.00 0.00 0.00 33.47 31.68 1py3 s TRP 82 CO 0.01 0.03 0.02 0.45 -0.00 0.00 0.00 176.95 177.46 1py3 s SER 83 N -0.15 3.66 0.51 5.86 0.15 -0.41 -0.82 113.70 122.50 1py3 s SER 83 Ca 0.00 -1.25 0.29 0.00 0.70 0.00 0.00 55.95 55.69 1py3 s SER 83 Cb -0.13 -0.93 1.27 0.00 -1.71 0.00 0.00 66.02 64.52 1py3 s SER 83 CO 0.03 -0.32 1.96 1.55 1.20 0.00 0.00 173.24 177.67 1py3 h PRO 84 N 8.07 0.00 -1.74 5.44 0.13 -1.85 -1.14 132.00 140.90 1py3 h PRO 84 Ca -0.15 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.00 1py3 h PRO 84 Cb 1.07 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.98 1py3 h PRO 84 CO 0.41 0.11 0.39 0.34 -0.23 0.00 0.00 178.00 179.03 1py3 s ASP 85 N -5.95 -0.49 0.24 1.44 3.68 -1.25 -4.21 116.67 110.13 1py3 s ASP 85 Ca -0.00 0.56 -0.05 0.00 2.13 0.00 0.00 52.55 55.19 1py3 s ASP 85 Cb 0.10 0.43 0.37 0.00 -1.45 0.00 0.00 42.92 42.38 1py3 s ASP 85 CO 0.58 -0.44 1.82 0.45 0.13 0.00 0.00 175.17 177.71 1py3 h HIS 86 N 2.83 0.90 -0.65 -5.34 3.86 -1.89 -1.48 115.15 113.37 1py3 h HIS 86 Ca -0.22 0.03 -0.42 0.00 -1.16 0.00 0.00 60.37 58.60 1py3 h HIS 86 Cb 1.15 -0.28 -0.25 0.00 1.06 0.00 0.00 27.41 29.10 1py3 h HIS 86 CO 0.33 0.40 0.00 0.66 0.86 0.00 0.00 177.93 180.18 1py3 n TYR 87 N -4.70 2.16 -4.07 2.45 4.01 -1.26 -4.92 117.16 110.83 1py3 n TYR 87 Ca 0.13 -2.11 -0.23 0.00 -0.16 0.00 0.00 57.90 55.54 1py3 n TYR 87 Cb 0.24 -0.71 -0.04 0.00 -0.31 0.00 0.00 39.34 38.52 1py3 n TYR 87 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1py3 s ALA 88 N -3.48 3.67 0.18 -0.72 0.00 -0.56 -5.10 121.76 115.76 1py3 s ALA 88 Ca 0.52 -1.33 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 1py3 s ALA 88 Cb 0.44 -1.42 -0.08 0.00 0.00 0.00 0.00 23.12 22.07 1py3 s ALA 88 CO 0.01 0.31 0.99 -0.08 0.00 0.00 0.00 175.76 176.99 1py3 s THR 89 N -2.02 4.15 0.63 0.00 -1.32 -1.26 -4.88 115.64 110.95 1py3 s THR 89 Ca 0.33 1.95 -0.18 0.00 -1.21 0.00 0.00 61.69 62.58 1py3 s THR 89 Cb -0.09 -4.24 -0.04 0.00 -1.51 0.00 0.00 72.50 66.63 1py3 s THR 89 CO 0.26 0.38 0.91 0.49 -2.21 0.00 0.00 174.62 174.44 1py3 n PHE 90 N 2.13 0.59 -5.00 9.09 3.01 -1.26 -4.81 117.46 121.21 1py3 n PHE 90 Ca 0.01 0.42 -0.29 0.00 1.01 0.00 0.00 57.45 58.59 1py3 n PHE 90 Cb 0.47 -2.10 -0.17 0.00 -0.01 0.00 0.00 39.48 37.68 1py3 n PHE 90 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1py3 s GLN 91 N -2.84 2.56 -0.05 -1.08 -0.21 -0.00 -4.20 119.66 113.84 1py3 s GLN 91 Ca 0.75 -0.72 -0.30 0.00 0.02 0.00 0.00 55.36 55.11 1py3 s GLN 91 Cb -0.40 -1.98 -0.03 0.00 1.00 0.00 0.00 33.01 31.60 1py3 s GLN 91 CO 0.48 0.13 1.18 -2.00 -2.12 0.00 0.00 175.29 172.97 1py3 s GLU 92 N 0.43 4.37 -0.14 2.91 2.12 0.48 -0.62 118.70 128.26 1py3 s GLU 92 Ca -0.17 1.66 -0.26 0.00 0.36 0.00 0.00 54.97 56.56 1py3 s GLU 92 Cb -0.17 -3.54 -0.02 0.00 0.26 0.00 0.00 34.13 30.66 1py3 s GLU 92 CO 0.07 -0.41 0.83 0.42 -0.54 0.00 0.00 175.26 175.63 1py3 s ILE 93 N 2.08 4.90 -0.39 -3.70 1.01 -0.49 -0.97 121.20 123.64 1py3 s ILE 93 Ca 0.56 1.66 -0.18 0.00 0.00 0.00 0.00 60.65 62.69 1py3 s ILE 93 Cb -0.25 -4.15 0.01 0.00 0.01 0.00 0.00 42.46 38.09 1py3 s ILE 93 CO 0.22 0.07 0.48 -0.62 0.00 0.00 0.00 174.94 175.10 1py3 s ASP 94 N 1.09 6.25 0.22 3.58 3.68 0.56 -4.64 116.67 127.41 1py3 s ASP 94 Ca 0.40 -0.35 0.25 0.00 2.13 0.00 0.00 52.55 54.98 1py3 s ASP 94 Cb -0.17 -2.25 0.89 0.00 -1.45 0.00 0.00 42.92 39.94 1py3 s ASP 94 CO 0.15 -0.54 1.75 -0.81 0.13 0.00 0.00 175.17 175.84 1py3 n PRO 95 N 5.72 0.23 0.00 4.34 -0.04 -1.26 -1.65 135.00 142.34 1py3 n PRO 95 Ca -0.06 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 1py3 n PRO 95 Cb 0.48 -1.82 0.20 0.00 -0.04 0.00 0.00 33.50 32.31 1py3 n PRO 95 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1py3 n ARG 96 N -2.23 0.38 0.00 0.54 1.74 -1.26 -4.77 116.66 111.06 1py3 n ARG 96 Ca 0.04 -0.25 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 1py3 n ARG 96 Cb 0.34 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 1py3 n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11