#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sc0 s TRP 3 N 0.00 2.63 -0.98 1.96 0.23 -1.26 -4.76 118.94 116.77 1sc0 s TRP 3 Ca 0.00 1.12 0.13 0.00 -2.03 0.00 0.00 56.10 55.32 1sc0 s TRP 3 Cb 0.00 -4.02 -0.05 0.00 0.03 0.00 0.00 33.47 29.43 1sc0 s TRP 3 CO 0.00 -3.04 0.67 1.63 0.96 0.00 0.00 176.95 177.17 1sc0 n LYS 4 N 0.75 2.25 -4.32 4.98 4.76 0.01 -4.97 118.16 121.63 1sc0 n LYS 4 Ca 0.02 -0.45 -0.22 0.00 -2.87 0.00 0.00 58.31 54.79 1sc0 n LYS 4 Cb 0.39 -1.15 -0.13 0.00 -1.84 0.00 0.00 35.03 32.31 1sc0 n LYS 4 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1sc0 s LYS 5 N -1.84 1.05 0.26 1.97 1.02 -1.15 -4.79 119.74 116.27 1sc0 s LYS 5 Ca 0.09 -1.02 -0.14 0.00 0.02 0.00 0.00 55.97 54.92 1sc0 s LYS 5 Cb 0.10 -1.19 -0.08 0.00 -0.52 0.00 0.00 37.83 36.14 1sc0 s LYS 5 CO 0.40 0.28 0.66 0.95 -0.92 0.00 0.00 175.35 176.72 1sc0 s THR 6 N -1.10 4.76 0.28 2.17 -4.23 -1.26 -5.01 115.64 111.25 1sc0 s THR 6 Ca 0.04 0.83 -0.21 0.00 -1.18 0.00 0.00 61.69 61.17 1sc0 s THR 6 Cb -0.10 -3.65 0.02 0.00 1.34 0.00 0.00 72.50 70.11 1sc0 s THR 6 CO 0.03 -0.06 0.74 0.72 -0.54 0.00 0.00 174.62 175.51 1sc0 s PHE 7 N -1.83 -0.18 0.03 3.99 -0.12 -1.26 -5.15 117.98 113.46 1sc0 s PHE 7 Ca 0.49 -0.28 0.01 0.00 -0.05 0.00 0.00 56.93 57.10 1sc0 s PHE 7 Cb -0.12 0.71 -0.02 0.00 -0.63 0.00 0.00 43.02 42.96 1sc0 s PHE 7 CO 0.19 -1.22 -0.05 0.95 -0.05 0.00 0.00 175.22 175.04 1sc0 s THR 8 N -3.84 0.29 0.41 -4.49 -4.23 -1.26 -5.04 115.64 97.47 1sc0 s THR 8 Ca 0.11 -0.93 0.08 0.00 -1.18 0.00 0.00 61.69 59.77 1sc0 s THR 8 Cb -0.06 -0.39 0.24 0.00 1.34 0.00 0.00 72.50 73.62 1sc0 s THR 8 CO 0.07 -0.42 2.02 -0.07 -0.54 0.00 0.00 174.62 175.68 1sc0 h LEU 9 N 4.68 0.40 -0.25 4.79 3.38 -1.99 -1.14 115.31 125.18 1sc0 h LEU 9 Ca -0.33 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1sc0 h LEU 9 Cb 1.21 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1sc0 h LEU 9 CO 0.41 0.35 0.06 -0.08 0.09 0.00 0.00 178.44 179.27 1sc0 h GLU 10 N 0.46 0.41 -0.25 1.13 4.81 -1.96 -1.98 114.58 117.19 1sc0 h GLU 10 Ca 0.12 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 59.13 1sc0 h GLU 10 Cb 0.06 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1sc0 h GLU 10 CO -0.02 0.52 -0.34 -0.97 -0.73 0.00 0.00 179.01 177.47 1sc0 h ASN 11 N 0.23 0.57 -0.55 1.04 -1.24 -1.86 -1.52 115.58 112.26 1sc0 h ASN 11 Ca 0.08 -0.23 -0.11 0.00 0.71 0.00 0.00 56.30 56.75 1sc0 h ASN 11 Cb 0.29 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.17 1sc0 h ASN 11 CO 0.00 0.87 -0.09 -0.07 -1.29 0.00 0.00 177.43 176.85 1sc0 h LEU 12 N 0.46 1.03 -0.91 0.34 3.38 -1.14 -0.24 115.31 118.24 1sc0 h LEU 12 Ca 0.05 -0.35 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 1sc0 h LEU 12 Cb 0.82 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1sc0 h LEU 12 CO 0.07 1.14 -0.44 0.78 0.09 0.00 0.00 178.44 180.08 1sc0 h ASN 13 N 0.91 0.24 0.01 -0.43 2.35 -1.25 -1.83 115.58 115.59 1sc0 h ASN 13 Ca 0.14 -0.11 -0.13 0.00 -0.55 0.00 0.00 56.30 55.66 1sc0 h ASN 13 Cb 0.66 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 1sc0 h ASN 13 CO 0.05 0.65 -0.39 -0.61 -1.65 0.00 0.00 177.43 175.48 1sc0 h GLN 14 N 0.19 0.50 -0.19 0.81 -0.00 -0.92 -1.99 115.11 113.50 1sc0 h GLN 14 Ca 0.01 -0.25 -0.09 0.00 -0.00 0.00 0.00 58.65 58.33 1sc0 h GLN 14 Cb 0.85 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.32 1sc0 h GLN 14 CO 0.07 0.81 -0.25 1.25 0.00 0.00 0.00 178.83 180.71 1sc0 h LEU 15 N 0.42 0.36 -1.14 -2.39 5.85 -0.58 -2.71 115.31 115.11 1sc0 h LEU 15 Ca 0.04 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1sc0 h LEU 15 Cb 0.87 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1sc0 h LEU 15 CO 0.07 0.62 0.00 0.00 -0.34 0.00 0.00 178.44 178.79 1sc0 s SER 17 N -1.74 5.34 -1.21 0.00 1.04 -0.78 -3.56 113.70 112.79 1sc0 s SER 17 Ca 0.35 2.14 -0.07 0.00 0.48 0.00 0.00 55.95 58.85 1sc0 s SER 17 Cb 0.19 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.72 1sc0 s SER 17 CO 0.29 -1.48 0.76 -3.20 0.98 0.00 0.00 173.24 170.59 1sc0 n ASN 18 N -1.83 -3.35 -2.41 7.02 5.15 -1.26 -4.94 115.26 113.63 1sc0 n ASN 18 Ca 0.11 -0.87 -0.09 0.00 -0.60 0.00 0.00 54.58 53.14 1sc0 n ASN 18 Cb 0.51 -4.03 -0.00 0.00 -0.53 0.00 0.00 39.78 35.73 1sc0 n ASN 18 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1sc0 n SER 19 N -2.97 -1.32 0.03 1.20 3.41 -1.25 -5.01 113.62 107.71 1sc0 n SER 19 Ca -0.20 -2.31 0.09 0.00 -0.26 0.00 0.00 58.87 56.20 1sc0 n SER 19 Cb 0.64 2.32 0.53 0.00 -0.26 0.00 0.00 64.21 67.44 1sc0 n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sc0 h ALA 20 N 1.94 1.96 0.41 7.33 0.00 -1.94 -0.49 119.26 128.47 1sc0 h ALA 20 Ca -0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1sc0 h ALA 20 Cb 0.90 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1sc0 h ALA 20 CO 0.29 -0.03 -0.20 0.28 0.00 0.00 0.00 179.25 179.59 1sc0 h VAL 21 N 0.32 0.60 -0.44 0.00 2.07 -1.95 -1.62 116.25 115.24 1sc0 h VAL 21 Ca 0.17 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.56 1sc0 h VAL 21 Cb 0.27 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1sc0 h VAL 21 CO -0.04 0.01 -0.03 -1.28 0.02 0.00 0.00 177.57 176.25 1sc0 h SER 22 N -0.59 0.71 -0.21 0.57 0.87 -1.53 -1.66 113.55 111.71 1sc0 h SER 22 Ca -0.06 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.31 1sc0 h SER 22 Cb 0.44 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1sc0 h SER 22 CO 0.09 0.80 0.09 -0.74 -0.53 0.00 0.00 176.83 176.54 1sc0 h HIS 23 N 0.68 0.37 -0.30 2.24 2.76 -0.84 -1.32 115.15 118.74 1sc0 h HIS 23 Ca 0.13 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1sc0 h HIS 23 Cb 0.47 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.31 1sc0 h HIS 23 CO 0.02 0.31 0.00 1.28 -1.30 0.00 0.00 177.93 178.25 1sc0 n LEU 24 N -4.41 1.99 -0.58 0.26 4.77 -0.63 -4.90 117.00 113.49 1sc0 n LEU 24 Ca 0.01 -0.93 -0.08 0.00 -0.03 0.00 0.00 56.01 54.99 1sc0 n LEU 24 Cb 0.14 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1sc0 n LEU 24 CO 0.36 0.46 -0.07 0.61 -1.33 0.00 0.00 177.39 177.42 1sc0 n GLY 25 N 1.14 0.96 3.74 -0.72 0.00 -0.50 -4.53 105.19 105.28 1sc0 n GLY 25 Ca 0.15 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 1sc0 n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sc0 s ILE 26 N -2.25 3.84 -0.06 -0.61 1.01 -0.65 -4.33 121.20 118.15 1sc0 s ILE 26 Ca 0.00 1.57 0.01 0.00 0.00 0.00 0.00 60.65 62.23 1sc0 s ILE 26 Cb 0.00 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.49 1sc0 s ILE 26 CO 0.00 0.26 -0.06 -0.70 0.00 0.00 0.00 174.94 174.44 1sc0 s GLU 27 N -0.29 1.06 -0.26 2.79 2.12 -0.48 -4.52 118.70 119.13 1sc0 s GLU 27 Ca 0.50 -0.15 -0.29 0.00 0.36 0.00 0.00 54.97 55.39 1sc0 s GLU 27 Cb -0.30 -1.06 -0.02 0.00 0.26 0.00 0.00 34.13 33.01 1sc0 s GLU 27 CO 0.35 -0.11 1.56 0.42 -0.54 0.00 0.00 175.26 176.94 1sc0 s ILE 28 N 1.11 3.77 -0.17 -3.70 -1.09 -1.26 -0.90 121.20 118.96 1sc0 s ILE 28 Ca -0.08 0.85 0.17 0.00 -2.23 0.00 0.00 60.65 59.37 1sc0 s ILE 28 Cb -0.14 -3.81 -0.25 0.00 -1.58 0.00 0.00 42.46 36.68 1sc0 s ILE 28 CO -0.01 -0.37 0.11 -1.54 -1.23 0.00 0.00 174.94 171.91 1sc0 n SER 29 N 8.48 0.29 -3.70 3.58 3.41 -0.66 -4.91 113.62 120.12 1sc0 n SER 29 Ca 0.18 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.76 1sc0 n SER 29 Cb 0.46 1.09 -0.01 0.00 -0.26 0.00 0.00 64.21 65.48 1sc0 n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sc0 s ALA 30 N -2.58 -1.75 0.07 7.33 0.00 -1.19 -5.01 121.76 118.63 1sc0 s ALA 30 Ca -0.09 0.36 -0.22 0.00 0.00 0.00 0.00 51.96 52.01 1sc0 s ALA 30 Cb 0.07 0.56 0.05 0.00 0.00 0.00 0.00 23.12 23.80 1sc0 s ALA 30 CO 0.79 -0.98 0.53 -0.59 0.00 0.00 0.00 175.76 175.51 1sc0 s PHE 31 N -3.15 -0.43 0.00 0.00 -0.71 -1.26 -0.09 117.98 112.35 1sc0 s PHE 31 Ca 0.11 0.41 0.00 0.00 -1.04 0.00 0.00 56.93 56.41 1sc0 s PHE 31 Cb -0.01 0.37 0.00 0.00 -1.21 0.00 0.00 43.02 42.17 1sc0 s PHE 31 CO -0.00 -0.68 0.00 0.41 -1.34 0.00 0.00 175.22 173.61 1sc0 n GLY 32 N 0.24 6.75 0.18 1.99 0.00 0.59 -4.97 105.19 109.97 1sc0 n GLY 32 Ca -0.18 -1.96 0.06 0.00 0.00 0.00 0.00 46.02 43.94 1sc0 n GLY 32 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sc0 h GLU 33 N 0.00 0.00 0.00 1.61 5.08 -2.03 -3.35 114.58 115.89 1sc0 h GLU 33 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1sc0 h GLU 33 Cb 0.00 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 28.96 1sc0 h GLU 33 CO 0.00 0.34 -0.89 -0.40 -1.00 0.00 0.00 179.01 177.06 1sc0 n ASP 34 N -3.27 0.94 -3.42 1.42 5.68 -1.26 -4.46 116.55 112.17 1sc0 n ASP 34 Ca 0.02 -2.20 -0.12 0.00 -0.50 0.00 0.00 54.79 51.99 1sc0 n ASP 34 Cb 0.60 -0.31 -0.02 0.00 -1.14 0.00 0.00 41.12 40.25 1sc0 n ASP 34 CO 0.00 0.00 0.00 -1.66 -1.33 0.00 0.00 177.20 174.21 1sc0 s TRP 35 N -0.35 -0.53 -0.09 2.11 1.48 -1.26 -4.43 118.94 115.87 1sc0 s TRP 35 Ca 0.29 0.32 -0.13 0.00 -1.06 0.00 0.00 56.10 55.53 1sc0 s TRP 35 Cb 0.33 0.56 0.03 0.00 -1.16 0.00 0.00 33.47 33.22 1sc0 s TRP 35 CO -0.13 -0.84 0.32 -1.50 -4.06 0.00 0.00 176.95 170.75 1sc0 s ILE 36 N -3.72 0.02 0.25 0.66 2.07 -1.07 -0.30 121.20 119.11 1sc0 s ILE 36 Ca 0.01 -0.16 0.09 0.00 -1.41 0.00 0.00 60.65 59.18 1sc0 s ILE 36 Cb -0.01 -0.51 -0.05 0.00 0.13 0.00 0.00 42.46 42.02 1sc0 s ILE 36 CO -0.13 -0.09 -0.15 -1.61 -1.91 0.00 0.00 174.94 171.05 1sc0 s GLU 37 N -0.33 1.50 -0.04 3.50 2.02 0.88 -1.05 118.70 125.17 1sc0 s GLU 37 Ca -0.05 -1.69 -0.07 0.00 0.02 0.00 0.00 54.97 53.18 1sc0 s GLU 37 Cb -0.03 -1.38 0.01 0.00 0.10 0.00 0.00 34.13 32.83 1sc0 s GLU 37 CO 0.02 0.22 0.17 0.00 0.02 0.00 0.00 175.26 175.69 1sc0 s ALA 38 N -2.80 -0.42 0.00 5.21 0.00 -0.70 -1.65 121.76 121.41 1sc0 s ALA 38 Ca 0.26 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1sc0 s ALA 38 Cb -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1sc0 s ALA 38 CO 0.11 -0.13 0.00 0.25 0.00 0.00 0.00 175.76 175.99 1sc0 n THR 39 N 2.43 0.00 -4.39 0.00 -2.24 -0.08 -0.51 114.28 109.49 1sc0 n THR 39 Ca -0.16 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.36 1sc0 n THR 39 Cb 0.58 -0.48 -0.11 0.00 -2.10 0.00 0.00 70.33 68.22 1sc0 n THR 39 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1sc0 s PRO 41 N -1.23 1.72 -0.64 -0.78 0.04 -1.26 -1.38 135.00 131.47 1sc0 s PRO 41 Ca 0.00 -1.49 -0.06 0.00 0.04 0.00 0.00 61.00 59.49 1sc0 s PRO 41 Cb 0.00 -1.93 0.17 0.00 0.04 0.00 0.00 34.50 32.78 1sc0 s PRO 41 CO 0.00 0.40 0.49 0.08 0.04 0.00 0.00 177.00 178.00 1sc0 s VAL 42 N -1.84 4.15 0.00 -0.36 1.01 0.00 -4.68 120.40 118.69 1sc0 s VAL 42 Ca 0.24 -2.68 0.00 0.00 0.00 0.00 0.00 61.98 59.54 1sc0 s VAL 42 Cb -0.08 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1sc0 s VAL 42 CO 0.12 -0.89 0.00 -0.90 0.00 0.00 0.00 175.10 173.44 1sc0 n ASP 43 N 3.81 0.00 0.26 3.32 5.68 -1.26 -4.43 116.55 123.93 1sc0 n ASP 43 Ca 0.07 -0.79 0.14 0.00 -0.50 0.00 0.00 54.79 53.71 1sc0 n ASP 43 Cb 0.40 0.00 0.76 0.00 -1.14 0.00 0.00 41.12 41.14 1sc0 n ASP 43 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 1sc0 h HIS 44 N 0.79 0.00 0.00 2.11 3.86 -1.97 0.23 115.15 120.17 1sc0 h HIS 44 Ca 0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 1sc0 h HIS 44 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1sc0 h HIS 44 CO 0.00 0.00 -0.53 0.00 0.86 0.00 0.00 177.93 178.26 1sc0 h ARG 45 N 0.00 0.00 -1.48 2.45 3.08 -1.95 -3.48 114.38 112.99 1sc0 h ARG 45 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1sc0 h ARG 45 Cb 0.37 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.00 1sc0 h ARG 45 CO 0.00 0.36 -0.79 0.25 -1.07 0.00 0.00 179.97 178.73 1sc0 n THR 46 N -3.14 2.22 -4.32 2.04 -2.24 0.07 -5.00 114.28 103.90 1sc0 n THR 46 Ca 0.01 -4.73 -0.25 0.00 -2.27 0.00 0.00 64.05 56.81 1sc0 n THR 46 Cb 0.70 -1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 67.81 1sc0 n THR 46 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1sc0 s GLN 48 N -3.48 2.10 0.58 -0.78 0.74 0.11 -0.74 119.66 118.18 1sc0 s GLN 48 Ca 0.45 -1.76 0.36 0.00 0.05 0.00 0.00 55.36 54.47 1sc0 s GLN 48 Cb 0.40 -1.93 1.96 0.00 1.10 0.00 0.00 33.01 34.54 1sc0 s GLN 48 CO -0.16 0.11 2.10 -1.00 -0.55 0.00 0.00 175.29 175.79 1sc0 h PRO 49 N 1.76 0.00 -0.67 1.67 0.13 -1.99 -2.64 132.00 130.27 1sc0 h PRO 49 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1sc0 h PRO 49 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1sc0 h PRO 49 CO 0.67 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.41 1sc0 n PHE 50 N -2.83 1.15 -0.02 1.56 -1.74 -1.26 -4.96 117.46 109.37 1sc0 n PHE 50 Ca -0.02 -0.51 0.00 0.00 -0.56 0.00 0.00 57.45 56.36 1sc0 n PHE 50 Cb 0.12 -0.11 0.00 0.00 1.52 0.00 0.00 39.48 41.01 1sc0 n PHE 50 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1sc0 n GLY 51 N 1.35 0.99 3.28 4.97 0.00 -0.99 -5.11 105.19 109.68 1sc0 n GLY 51 Ca 0.24 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 1sc0 n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sc0 s VAL 52 N -2.00 1.53 0.15 1.61 -7.23 -1.26 -4.63 120.40 108.57 1sc0 s VAL 52 Ca 0.00 -1.78 -0.34 0.00 -1.81 0.00 0.00 61.98 58.05 1sc0 s VAL 52 Cb 0.00 -1.64 -0.15 0.00 0.56 0.00 0.00 36.38 35.14 1sc0 s VAL 52 CO 0.00 -0.36 1.32 -0.11 -0.31 0.00 0.00 175.10 175.65 1sc0 n LEU 53 N 0.48 2.05 -4.65 1.32 7.94 0.28 0.09 117.00 124.52 1sc0 n LEU 53 Ca -0.15 1.13 -0.43 0.00 -1.11 0.00 0.00 56.01 55.45 1sc0 n LEU 53 Cb 0.57 -1.27 -0.02 0.00 0.53 0.00 0.00 43.42 43.22 1sc0 n LEU 53 CO 0.27 -0.93 1.12 -2.28 -1.11 0.00 0.00 177.39 174.46 1sc0 s HIS 54 N 0.23 2.74 0.43 1.96 5.65 0.08 -4.62 115.29 121.75 1sc0 s HIS 54 Ca 0.77 0.92 0.12 0.00 0.25 0.00 0.00 55.06 57.12 1sc0 s HIS 54 Cb -0.83 -3.65 0.98 0.00 -1.18 0.00 0.00 32.58 27.90 1sc0 s HIS 54 CO 0.48 -1.83 2.00 0.78 -0.65 0.00 0.00 174.74 175.52 1sc0 h GLY 55 N 10.15 0.59 1.07 1.59 0.00 -1.90 -1.13 103.07 113.45 1sc0 h GLY 55 Ca -0.27 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 46.79 1sc0 h GLY 55 CO 0.99 0.13 0.09 -1.33 0.00 0.00 0.00 176.54 176.42 1sc0 h GLY 56 N 0.45 1.20 1.94 4.60 0.00 -1.96 -2.19 103.07 107.12 1sc0 h GLY 56 Ca 0.24 -0.81 -0.10 0.00 0.00 0.00 0.00 47.33 46.66 1sc0 h GLY 56 CO -0.07 0.75 -0.43 -2.08 0.00 0.00 0.00 176.54 174.72 1sc0 h VAL 57 N 1.04 1.31 -0.73 4.60 2.07 -1.58 -2.06 116.25 120.90 1sc0 h VAL 57 Ca 0.20 -1.50 -0.05 0.00 0.82 0.00 0.00 66.70 66.18 1sc0 h VAL 57 Cb 0.46 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1sc0 h VAL 57 CO 0.02 0.43 0.27 0.28 0.02 0.00 0.00 177.57 178.59 1sc0 h SER 58 N 0.05 1.00 0.07 0.57 0.02 -0.73 -1.38 113.55 113.15 1sc0 h SER 58 Ca 0.00 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.70 1sc0 h SER 58 Cb 0.78 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1sc0 h SER 58 CO 0.06 0.90 -0.30 0.58 -1.14 0.00 0.00 176.83 176.93 1sc0 h VAL 59 N 1.06 1.27 -0.73 2.27 2.07 -0.83 -1.08 116.25 120.28 1sc0 h VAL 59 Ca 0.24 -1.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 1sc0 h VAL 59 Cb 0.23 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1sc0 h VAL 59 CO -0.02 0.40 0.28 0.00 0.02 0.00 0.00 177.57 178.26 1sc0 h ALA 60 N 1.38 1.12 -0.42 1.67 0.00 -0.66 -0.20 119.26 122.16 1sc0 h ALA 60 Ca 0.04 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1sc0 h ALA 60 Cb 0.69 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1sc0 h ALA 60 CO 0.05 0.62 0.01 1.25 0.00 0.00 0.00 179.25 181.18 1sc0 h LEU 61 N 1.06 0.72 -0.45 0.00 5.85 -0.71 -1.88 115.31 119.90 1sc0 h LEU 61 Ca 0.24 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1sc0 h LEU 61 Cb 0.21 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1sc0 h LEU 61 CO -0.02 0.85 0.27 0.00 -0.34 0.00 0.00 178.44 179.19 1sc0 h ALA 62 N 0.90 0.57 -0.31 1.25 0.00 -0.68 -1.66 119.26 119.34 1sc0 h ALA 62 Ca 0.12 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1sc0 h ALA 62 Cb 0.47 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1sc0 h ALA 62 CO 0.02 0.07 -0.18 1.49 0.00 0.00 0.00 179.25 180.65 1sc0 h GLU 63 N 0.60 0.56 0.67 0.00 4.81 -0.98 -1.35 114.58 118.89 1sc0 h GLU 63 Ca 0.16 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1sc0 h GLU 63 Cb 0.00 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.35 1sc0 h GLU 63 CO -0.03 0.71 -0.32 1.15 -0.73 0.00 0.00 179.01 179.79 1sc0 h THR 64 N 0.50 0.29 -0.42 0.32 2.02 -0.97 -0.65 112.91 114.00 1sc0 h THR 64 Ca 0.08 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 67.02 1sc0 h THR 64 Cb 0.60 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1sc0 h THR 64 CO 0.04 0.02 -0.09 -0.29 0.37 0.00 0.00 175.52 175.57 1sc0 h ILE 65 N -1.01 1.25 -0.46 3.11 6.09 -1.30 -1.53 117.51 123.67 1sc0 h ILE 65 Ca -0.09 -1.11 -0.09 0.00 -1.37 0.00 0.00 64.86 62.19 1sc0 h ILE 65 Cb 0.72 1.02 -0.01 0.00 0.47 0.00 0.00 36.82 39.01 1sc0 h ILE 65 CO 0.15 0.38 -0.07 1.23 -3.07 0.00 0.00 178.15 176.77 1sc0 h GLY 66 N 0.97 0.92 1.25 8.18 0.00 -1.25 -1.09 103.07 112.06 1sc0 h GLY 66 Ca 0.12 -0.74 -0.12 0.00 0.00 0.00 0.00 47.33 46.60 1sc0 h GLY 66 CO 0.03 0.67 -0.19 1.76 0.00 0.00 0.00 176.54 178.82 1sc0 h SER 67 N 0.69 0.87 -0.15 0.19 0.02 -0.93 -1.22 113.55 113.02 1sc0 h SER 67 Ca 0.12 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1sc0 h SER 67 Cb 0.60 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1sc0 h SER 67 CO 0.04 1.04 0.06 0.25 -1.14 0.00 0.00 176.83 177.08 1sc0 h LEU 68 N 0.76 0.20 -0.20 5.07 5.85 -1.16 -1.68 115.31 124.14 1sc0 h LEU 68 Ca 0.11 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1sc0 h LEU 68 Cb 0.72 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1sc0 h LEU 68 CO 0.06 0.30 -0.07 0.00 -0.34 0.00 0.00 178.44 178.38 1sc0 h ALA 69 N 0.91 0.11 -0.86 1.25 0.00 -1.03 -2.06 119.26 117.58 1sc0 h ALA 69 Ca 0.05 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.13 1sc0 h ALA 69 Cb 0.16 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1sc0 h ALA 69 CO -0.00 -0.49 0.51 0.78 0.00 0.00 0.00 179.25 180.04 1sc0 h GLY 70 N -0.03 1.34 2.00 0.00 0.00 -1.02 -1.26 103.07 104.10 1sc0 h GLY 70 Ca 0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1sc0 h GLY 70 CO -0.23 0.16 -0.14 1.48 0.00 0.00 0.00 176.54 177.81 1sc0 h SER 71 N 0.86 0.00 0.58 0.19 4.64 -0.64 -2.01 113.55 117.16 1sc0 h SER 71 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1sc0 h SER 71 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1sc0 h SER 71 CO -0.24 0.14 -0.15 0.18 -0.87 0.00 0.00 176.83 175.89 1sc0 n LEU 72 N -3.54 0.32 -1.45 5.97 4.77 -0.49 -3.50 117.00 119.08 1sc0 n LEU 72 Ca -0.01 0.16 0.09 0.00 -0.03 0.00 0.00 56.01 56.22 1sc0 n LEU 72 Cb 0.29 -0.29 0.33 0.00 -2.33 0.00 0.00 43.42 41.42 1sc0 n LEU 72 CO 0.30 0.07 0.79 0.00 -1.33 0.00 0.00 177.39 177.22 1sc0 s LEU 74 N -1.73 2.88 0.00 0.00 1.43 -1.23 -4.63 118.68 115.40 1sc0 s LEU 74 Ca 0.48 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1sc0 s LEU 74 Cb 0.31 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 45.14 1sc0 s LEU 74 CO 0.24 0.01 0.00 -0.62 0.23 0.00 0.00 176.35 176.21 1sc0 n GLU 75 N -0.76 1.00 -2.52 1.70 -0.58 -1.26 -4.33 120.64 113.90 1sc0 n GLU 75 Ca -0.06 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.34 1sc0 n GLU 75 Cb 0.60 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.43 1sc0 n GLU 75 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1sc0 s GLU 76 N -0.45 3.87 -0.91 3.49 0.41 -1.26 -3.51 118.70 120.33 1sc0 s GLU 76 Ca 0.00 1.43 -0.00 0.00 -0.41 0.00 0.00 54.97 55.99 1sc0 s GLU 76 Cb 0.00 -2.22 0.00 0.00 -1.78 0.00 0.00 34.13 30.13 1sc0 s GLU 76 CO 0.00 -0.39 0.03 0.41 -0.49 0.00 0.00 175.26 174.82 1sc0 n GLY 77 N -0.05 -0.06 2.89 -1.39 0.00 -1.26 -5.02 105.19 100.31 1sc0 n GLY 77 Ca 0.08 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 1sc0 n GLY 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sc0 s LYS 78 N -4.59 0.08 0.28 1.61 2.47 -1.23 -3.59 119.74 114.77 1sc0 s LYS 78 Ca 0.01 -0.12 -0.13 0.00 -1.56 0.00 0.00 55.97 54.18 1sc0 s LYS 78 Cb -0.01 0.00 0.01 0.00 -1.46 0.00 0.00 37.83 36.37 1sc0 s LYS 78 CO 0.02 -0.00 0.54 -0.08 0.16 0.00 0.00 175.35 175.99 1sc0 s THR 79 N -0.27 0.00 0.18 3.43 -1.32 -1.09 -4.84 115.64 111.73 1sc0 s THR 79 Ca -0.03 -1.34 0.11 0.00 -1.21 0.00 0.00 61.69 59.23 1sc0 s THR 79 Cb -0.02 -2.31 -0.04 0.00 -1.51 0.00 0.00 72.50 68.62 1sc0 s THR 79 CO -0.00 0.00 -0.24 0.68 -2.21 0.00 0.00 174.62 172.85 1sc0 s VAL 80 N -3.69 2.36 -0.05 5.08 -7.23 -1.26 -2.15 120.40 113.45 1sc0 s VAL 80 Ca 0.21 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 58.43 1sc0 s VAL 80 Cb -0.02 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 34.82 1sc0 s VAL 80 CO 0.11 -0.07 -0.08 -0.69 -0.31 0.00 0.00 175.10 174.05 1sc0 s VAL 81 N -1.55 0.80 0.21 1.32 1.01 -0.55 -4.95 120.40 116.69 1sc0 s VAL 81 Ca 0.20 -0.29 -0.31 0.00 0.00 0.00 0.00 61.98 61.57 1sc0 s VAL 81 Cb -0.08 -0.76 -0.10 0.00 0.00 0.00 0.00 36.38 35.43 1sc0 s VAL 81 CO 0.09 0.28 1.56 -0.83 0.00 0.00 0.00 175.10 176.20 1sc0 s GLY 82 N 0.72 1.78 -0.20 4.51 0.00 -1.26 -0.82 107.32 112.05 1sc0 s GLY 82 Ca -0.12 1.42 -0.09 0.00 0.00 0.00 0.00 44.72 45.93 1sc0 s GLY 82 CO 0.02 2.57 -0.25 -0.10 0.00 0.00 0.00 173.10 175.33 1sc0 n LEU 83 N 3.31 1.60 -3.64 0.66 7.94 0.05 -4.86 117.00 122.07 1sc0 n LEU 83 Ca 0.12 0.21 -0.09 0.00 -1.11 0.00 0.00 56.01 55.13 1sc0 n LEU 83 Cb 0.38 -0.61 -0.02 0.00 0.53 0.00 0.00 43.42 43.71 1sc0 n LEU 83 CO 0.62 0.47 0.45 1.51 -1.11 0.00 0.00 177.39 179.33 1sc0 s ASP 84 N -6.73 -0.41 -0.01 1.96 1.47 -1.08 -5.02 116.67 106.86 1sc0 s ASP 84 Ca -0.28 -0.29 -0.24 0.00 1.18 0.00 0.00 52.55 52.92 1sc0 s ASP 84 Cb 0.11 0.65 0.05 0.00 -0.34 0.00 0.00 42.92 43.39 1sc0 s ASP 84 CO 0.37 -1.13 0.52 -0.51 0.68 0.00 0.00 175.17 175.10 1sc0 s ILE 85 N -3.79 0.03 0.05 2.11 2.07 -1.26 -1.08 121.20 119.33 1sc0 s ILE 85 Ca 0.06 -0.22 -0.03 0.00 -1.41 0.00 0.00 60.65 59.05 1sc0 s ILE 85 Cb -0.03 -0.89 -0.03 0.00 0.13 0.00 0.00 42.46 41.63 1sc0 s ILE 85 CO -0.03 -0.12 0.02 0.54 -1.91 0.00 0.00 174.94 173.44 1sc0 s ASN 86 N -1.52 0.38 0.05 4.50 2.20 -0.70 -5.00 114.94 114.85 1sc0 s ASN 86 Ca -0.10 -0.87 -0.26 0.00 -0.94 0.00 0.00 52.86 50.69 1sc0 s ASN 86 Cb -0.02 0.22 0.07 0.00 -2.00 0.00 0.00 41.25 39.52 1sc0 s ASN 86 CO 0.04 -0.60 0.62 0.00 -2.94 0.00 0.00 177.10 174.23 1sc0 s ALA 87 N -3.65 -1.63 -0.08 3.54 0.00 -1.26 -1.71 121.76 116.96 1sc0 s ALA 87 Ca 0.04 0.88 0.04 0.00 0.00 0.00 0.00 51.96 52.92 1sc0 s ALA 87 Cb 0.06 0.42 -0.00 0.00 0.00 0.00 0.00 23.12 23.59 1sc0 s ALA 87 CO -0.09 -0.55 -0.23 -0.80 0.00 0.00 0.00 175.76 174.09 1sc0 s ASN 88 N -1.94 2.88 -0.32 0.00 -0.87 0.23 -4.98 114.94 109.94 1sc0 s ASN 88 Ca -0.05 -0.50 -0.17 0.00 -1.57 0.00 0.00 52.86 50.56 1sc0 s ASN 88 Cb -0.01 -1.12 -0.01 0.00 -0.02 0.00 0.00 41.25 40.09 1sc0 s ASN 88 CO -0.01 0.17 0.47 -1.00 -2.57 0.00 0.00 177.10 174.16 1sc0 s HIS 89 N 0.20 3.21 -0.10 2.20 3.76 -1.26 -1.94 115.29 121.35 1sc0 s HIS 89 Ca -0.13 0.25 0.02 0.00 -0.15 0.00 0.00 55.06 55.05 1sc0 s HIS 89 Cb -0.16 -2.80 -0.24 0.00 1.11 0.00 0.00 32.58 30.49 1sc0 s HIS 89 CO 0.06 -0.44 0.43 1.28 -0.85 0.00 0.00 174.74 175.23 1sc0 n LEU 90 N 5.59 1.89 -3.53 0.89 4.77 0.70 -4.98 117.00 122.33 1sc0 n LEU 90 Ca -0.06 0.26 -0.17 0.00 -0.03 0.00 0.00 56.01 56.01 1sc0 n LEU 90 Cb 0.49 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 1sc0 n LEU 90 CO 0.42 0.67 0.40 0.00 -1.33 0.00 0.00 177.39 177.55 1sc0 s ARG 91 N -2.57 1.05 0.47 3.23 1.70 -1.14 -5.00 118.95 116.69 1sc0 s ARG 91 Ca -0.16 0.13 -0.22 0.00 -0.47 0.00 0.00 55.73 55.02 1sc0 s ARG 91 Cb 0.07 0.49 -0.08 0.00 -0.57 0.00 0.00 34.95 34.86 1sc0 s ARG 91 CO 0.78 -0.34 1.08 -1.25 -1.08 0.00 0.00 175.30 174.49 1sc0 s PRO 92 N -1.50 3.81 -0.08 3.89 0.04 -1.26 -4.78 135.00 135.11 1sc0 s PRO 92 Ca -0.10 1.53 0.03 0.00 0.04 0.00 0.00 61.00 62.50 1sc0 s PRO 92 Cb -0.00 -2.26 0.01 0.00 0.04 0.00 0.00 34.50 32.28 1sc0 s PRO 92 CO 0.07 -0.45 -0.17 0.08 0.04 0.00 0.00 177.00 176.56 1sc0 s VAL 93 N -1.76 1.55 -0.13 -0.36 1.01 -1.26 -5.00 120.40 114.45 1sc0 s VAL 93 Ca 0.65 -0.72 0.13 0.00 0.00 0.00 0.00 61.98 62.04 1sc0 s VAL 93 Cb -0.22 -1.38 -0.19 0.00 0.00 0.00 0.00 36.38 34.59 1sc0 s VAL 93 CO 0.26 0.45 0.33 0.54 0.00 0.00 0.00 175.10 176.68 1sc0 n ARG 94 N 3.74 0.85 -3.83 2.72 5.12 -1.26 -0.55 116.66 123.45 1sc0 n ARG 94 Ca -0.21 -0.10 -0.09 0.00 -1.93 0.00 0.00 57.85 55.52 1sc0 n ARG 94 Cb 0.52 -1.27 0.02 0.00 -1.16 0.00 0.00 32.46 30.57 1sc0 n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1sc0 s SER 95 N -3.26 0.05 0.42 0.55 1.04 -1.26 -4.89 113.70 106.35 1sc0 s SER 95 Ca -0.03 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.24 1sc0 s SER 95 Cb 0.09 0.84 0.00 0.00 0.10 0.00 0.00 66.02 67.04 1sc0 s SER 95 CO 0.54 -1.66 0.00 0.61 0.98 0.00 0.00 173.24 173.71 1sc0 n GLY 96 N -0.53 -0.21 3.26 7.32 0.00 -1.26 -4.79 105.19 108.98 1sc0 n GLY 96 Ca -0.08 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 44.71 1sc0 n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sc0 s LYS 97 N 0.00 1.08 0.17 1.61 -2.85 -1.26 -0.82 119.74 117.67 1sc0 s LYS 97 Ca 0.00 -1.22 0.05 0.00 -1.00 0.00 0.00 55.97 53.80 1sc0 s LYS 97 Cb 0.00 -1.12 -0.04 0.00 -2.06 0.00 0.00 37.83 34.62 1sc0 s LYS 97 CO 0.00 0.23 0.17 0.14 0.10 0.00 0.00 175.35 176.00 1sc0 s VAL 98 N -1.75 4.68 -0.12 1.79 -7.23 -1.26 -3.34 120.40 113.17 1sc0 s VAL 98 Ca 0.08 -1.01 0.02 0.00 -1.81 0.00 0.00 61.98 59.27 1sc0 s VAL 98 Cb -0.07 -3.40 0.01 0.00 0.56 0.00 0.00 36.38 33.48 1sc0 s VAL 98 CO 0.04 -0.12 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.64 1sc0 s THR 99 N -1.77 1.74 -0.23 5.32 2.01 0.01 -4.29 115.64 118.44 1sc0 s THR 99 Ca 0.32 -0.79 -0.07 0.00 0.31 0.00 0.00 61.69 61.46 1sc0 s THR 99 Cb -0.10 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1sc0 s THR 99 CO 0.25 0.49 0.06 0.00 -0.69 0.00 0.00 174.62 174.72 1sc0 s ALA 100 N 0.91 3.20 -0.17 7.40 0.00 0.33 -0.81 121.76 132.63 1sc0 s ALA 100 Ca -0.07 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.84 1sc0 s ALA 100 Cb -0.15 -2.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 1sc0 s ALA 100 CO -0.02 -0.28 -0.06 0.50 0.00 0.00 0.00 175.76 175.91 1sc0 s ARG 101 N 1.23 3.55 -0.16 0.00 3.52 0.19 -1.71 118.95 125.56 1sc0 s ARG 101 Ca 0.04 -0.58 -0.07 0.00 -0.13 0.00 0.00 55.73 55.00 1sc0 s ARG 101 Cb -0.14 -2.88 -0.04 0.00 -1.56 0.00 0.00 34.95 30.32 1sc0 s ARG 101 CO 0.03 0.14 0.07 0.00 -0.81 0.00 0.00 175.30 174.73 1sc0 s ALA 102 N 0.62 3.47 0.01 6.12 0.00 -0.22 -1.52 121.76 130.23 1sc0 s ALA 102 Ca -0.04 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1sc0 s ALA 102 Cb -0.15 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.08 1sc0 s ALA 102 CO 0.03 0.28 -0.07 0.95 0.00 0.00 0.00 175.76 176.95 1sc0 s THR 103 N 0.05 0.56 0.38 0.00 -4.23 -0.47 -2.59 115.64 109.33 1sc0 s THR 103 Ca 0.06 -0.46 -0.25 0.00 -1.18 0.00 0.00 61.69 59.86 1sc0 s THR 103 Cb -0.12 -0.50 -0.09 0.00 1.34 0.00 0.00 72.50 73.13 1sc0 s THR 103 CO 0.01 0.05 1.09 -2.16 -0.54 0.00 0.00 174.62 173.07 1sc0 s PRO 104 N -0.45 4.21 -0.18 3.99 0.04 -1.26 -0.89 135.00 140.45 1sc0 s PRO 104 Ca 0.00 1.65 -0.08 0.00 0.04 0.00 0.00 61.00 62.62 1sc0 s PRO 104 Cb -0.04 -2.69 -0.09 0.00 0.04 0.00 0.00 34.50 31.73 1sc0 s PRO 104 CO -0.00 -0.13 -0.23 -0.89 0.04 0.00 0.00 177.00 175.79 1sc0 n ILE 105 N 0.18 1.02 -3.66 0.56 5.41 0.06 -4.82 119.36 118.11 1sc0 n ILE 105 Ca 0.04 -0.28 -0.07 0.00 1.00 0.00 0.00 62.75 63.44 1sc0 n ILE 105 Cb 0.48 -1.65 -0.08 0.00 -0.71 0.00 0.00 39.64 37.68 1sc0 n ILE 105 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1sc0 s ASN 106 N -6.52 -0.73 -0.44 4.38 3.84 -0.92 -4.99 114.94 109.56 1sc0 s ASN 106 Ca -0.26 1.27 -0.06 0.00 0.21 0.00 0.00 52.86 54.02 1sc0 s ASN 106 Cb 0.09 1.49 0.11 0.00 -0.55 0.00 0.00 41.25 42.40 1sc0 s ASN 106 CO 0.34 -0.22 0.27 -0.76 -2.79 0.00 0.00 177.10 173.94 1sc0 s LEU 107 N 2.17 5.44 0.55 3.21 1.43 -1.26 -0.50 118.68 129.72 1sc0 s LEU 107 Ca -0.07 -1.92 0.09 0.00 -1.03 0.00 0.00 54.13 51.20 1sc0 s LEU 107 Cb -0.09 -1.93 0.08 0.00 0.03 0.00 0.00 46.19 44.28 1sc0 s LEU 107 CO -0.16 -0.61 0.76 -0.83 0.23 0.00 0.00 176.35 175.74 1sc0 s GLY 108 N 2.25 1.76 0.24 -3.19 0.00 0.56 -5.00 107.32 103.94 1sc0 s GLY 108 Ca 0.06 -2.07 -0.03 0.00 0.00 0.00 0.00 44.72 42.68 1sc0 s GLY 108 CO -0.02 -1.65 1.71 -0.09 0.00 0.00 0.00 173.10 173.05 1sc0 h ARG 109 N 0.24 0.82 0.00 2.90 2.43 -2.00 -3.35 114.38 115.42 1sc0 h ARG 109 Ca -0.31 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 58.59 1sc0 h ARG 109 Cb 1.29 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1sc0 h ARG 109 CO 0.41 0.86 -1.20 0.09 -1.51 0.00 0.00 179.97 178.63 1sc0 n ASN 110 N -4.18 4.09 -4.02 -3.80 3.02 -1.26 -4.76 115.26 104.35 1sc0 n ASN 110 Ca 0.02 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.38 1sc0 n ASN 110 Cb 0.34 1.07 -0.15 0.00 -0.61 0.00 0.00 39.78 40.43 1sc0 n ASN 110 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1sc0 s ILE 111 N -2.24 0.72 0.00 2.41 -1.09 -1.26 -0.64 121.20 119.11 1sc0 s ILE 111 Ca -0.02 -0.38 0.07 0.00 -2.23 0.00 0.00 60.65 58.10 1sc0 s ILE 111 Cb 0.02 -0.61 -0.02 0.00 -1.58 0.00 0.00 42.46 40.27 1sc0 s ILE 111 CO 0.16 0.21 -0.23 -1.10 -1.23 0.00 0.00 174.94 172.76 1sc0 s GLN 112 N -0.11 1.73 -0.12 2.79 -0.21 -0.23 -0.32 119.66 123.19 1sc0 s GLN 112 Ca 0.02 -0.88 0.02 0.00 0.02 0.00 0.00 55.36 54.54 1sc0 s GLN 112 Cb -0.05 -1.74 0.02 0.00 1.00 0.00 0.00 33.01 32.24 1sc0 s GLN 112 CO -0.00 0.47 -0.16 0.08 -2.12 0.00 0.00 175.29 173.56 1sc0 s VAL 113 N -0.62 1.58 0.09 1.09 1.01 0.34 -0.54 120.40 123.35 1sc0 s VAL 113 Ca 0.09 -0.68 0.10 0.00 0.00 0.00 0.00 61.98 61.49 1sc0 s VAL 113 Cb -0.09 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1sc0 s VAL 113 CO 0.00 0.46 -0.27 0.26 0.00 0.00 0.00 175.10 175.55 1sc0 s TRP 114 N 1.06 2.30 -0.11 5.22 0.52 0.10 -0.76 118.94 127.28 1sc0 s TRP 114 Ca -0.04 -0.39 -0.03 0.00 0.02 0.00 0.00 56.10 55.65 1sc0 s TRP 114 Cb -0.15 -1.30 -0.03 0.00 -1.15 0.00 0.00 33.47 30.84 1sc0 s TRP 114 CO -0.03 0.25 0.02 -1.14 0.02 0.00 0.00 176.95 176.06 1sc0 s GLN 115 N -1.72 3.23 -0.12 4.98 2.00 -0.07 -0.77 119.66 127.20 1sc0 s GLN 115 Ca 0.13 -0.38 -0.00 0.00 -2.00 0.00 0.00 55.36 53.10 1sc0 s GLN 115 Cb -0.10 -2.90 0.02 0.00 0.80 0.00 0.00 33.01 30.83 1sc0 s GLN 115 CO 0.04 0.61 -0.08 0.42 -0.50 0.00 0.00 175.29 175.77 1sc0 s ILE 116 N -0.60 1.11 -0.18 -2.34 1.09 0.20 -1.37 121.20 119.10 1sc0 s ILE 116 Ca 0.10 -0.35 -0.03 0.00 -1.10 0.00 0.00 60.65 59.27 1sc0 s ILE 116 Cb -0.12 -1.11 -0.02 0.00 -1.06 0.00 0.00 42.46 40.15 1sc0 s ILE 116 CO 0.02 0.37 -0.05 -1.81 -0.10 0.00 0.00 174.94 173.37 1sc0 s ASP 117 N 1.68 4.45 -0.16 3.58 1.01 -0.58 -0.87 116.67 125.78 1sc0 s ASP 117 Ca 0.05 -0.28 -0.03 0.00 0.71 0.00 0.00 52.55 53.01 1sc0 s ASP 117 Cb -0.13 -1.73 -0.02 0.00 1.01 0.00 0.00 42.92 42.05 1sc0 s ASP 117 CO -0.09 0.09 -0.07 -0.63 0.21 0.00 0.00 175.17 174.68 1sc0 s ILE 118 N 0.85 3.52 0.19 0.77 1.01 -0.08 -0.64 121.20 126.82 1sc0 s ILE 118 Ca -0.01 -0.48 0.10 0.00 0.00 0.00 0.00 60.65 60.25 1sc0 s ILE 118 Cb -0.15 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 1sc0 s ILE 118 CO 0.01 0.49 -0.20 -0.13 0.00 0.00 0.00 174.94 175.11 1sc0 s ARG 119 N 0.58 1.39 0.88 2.79 0.52 0.01 -1.06 118.95 124.06 1sc0 s ARG 119 Ca -0.05 -1.49 -0.13 0.00 -0.52 0.00 0.00 55.73 53.55 1sc0 s ARG 119 Cb -0.15 -1.50 0.15 0.00 0.52 0.00 0.00 34.95 33.97 1sc0 s ARG 119 CO 0.03 0.30 1.23 0.95 0.02 0.00 0.00 175.30 177.83 1sc0 s THR 120 N -2.06 2.04 -0.31 0.02 -4.23 0.26 -0.81 115.64 110.54 1sc0 s THR 120 Ca 0.19 -0.07 0.23 0.00 -1.18 0.00 0.00 61.69 60.86 1sc0 s THR 120 Cb -0.06 -2.96 0.24 0.00 1.34 0.00 0.00 72.50 71.06 1sc0 s THR 120 CO 0.08 0.00 1.70 -1.84 -0.54 0.00 0.00 174.62 174.02 1sc0 n GLU 121 N -3.50 0.17 -0.61 3.99 0.28 -1.21 -0.53 120.64 119.23 1sc0 n GLU 121 Ca 0.13 0.54 0.09 0.00 -0.16 0.00 0.00 57.16 57.76 1sc0 n GLU 121 Cb 0.60 -1.93 0.34 0.00 1.43 0.00 0.00 31.44 31.88 1sc0 n GLU 121 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1sc0 n GLU 122 N -2.28 3.70 -2.36 3.44 -0.58 -1.26 -4.94 120.64 116.36 1sc0 n GLU 122 Ca 0.00 -2.72 -0.20 0.00 -0.42 0.00 0.00 57.16 53.83 1sc0 n GLU 122 Cb 0.13 -1.90 -0.01 0.00 -0.57 0.00 0.00 31.44 29.08 1sc0 n GLU 122 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1sc0 n ASN 123 N 1.01 -5.66 -4.77 1.62 4.13 0.31 -5.01 115.26 106.90 1sc0 n ASN 123 Ca 0.24 -0.01 -0.36 0.00 1.68 0.00 0.00 54.58 56.14 1sc0 n ASN 123 Cb 0.88 -4.69 -0.08 0.00 -1.54 0.00 0.00 39.78 34.35 1sc0 n ASN 123 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1sc0 s LYS 124 N -4.96 3.41 0.00 3.52 1.02 -1.26 -4.79 119.74 116.68 1sc0 s LYS 124 Ca 0.00 -0.26 -0.30 0.00 0.02 0.00 0.00 55.97 55.43 1sc0 s LYS 124 Cb 0.00 -3.07 -0.06 0.00 -0.52 0.00 0.00 37.83 34.18 1sc0 s LYS 124 CO 0.00 0.65 1.49 -0.51 -0.92 0.00 0.00 175.35 176.06 1sc0 s LEU 125 N -0.70 4.32 -0.01 3.17 1.43 -1.26 -0.58 118.68 125.06 1sc0 s LEU 125 Ca 0.12 2.20 0.09 0.00 -1.03 0.00 0.00 54.13 55.51 1sc0 s LEU 125 Cb -0.12 -3.56 -0.14 0.00 0.03 0.00 0.00 46.19 42.41 1sc0 s LEU 125 CO 0.03 -0.79 0.20 0.00 0.23 0.00 0.00 176.35 176.02 1sc0 s VAL 128 N 0.17 0.95 0.03 0.00 -7.23 -0.82 -0.90 120.40 112.60 1sc0 s VAL 128 Ca -0.01 -0.55 -0.10 0.00 -1.81 0.00 0.00 61.98 59.51 1sc0 s VAL 128 Cb -0.04 -0.80 0.01 0.00 0.56 0.00 0.00 36.38 36.10 1sc0 s VAL 128 CO 0.02 0.24 0.20 -0.55 -0.31 0.00 0.00 175.10 174.70 1sc0 s SER 129 N -0.35 0.01 -0.06 4.85 0.15 -0.05 -0.60 113.70 117.65 1sc0 s SER 129 Ca 0.04 -0.29 0.03 0.00 0.70 0.00 0.00 55.95 56.43 1sc0 s SER 129 Cb -0.05 0.28 0.01 0.00 -1.71 0.00 0.00 66.02 64.55 1sc0 s SER 129 CO -0.00 -0.51 -0.15 -0.60 1.20 0.00 0.00 173.24 173.17 1sc0 s ARG 130 N -2.23 1.92 -0.07 5.44 3.52 -0.70 -0.63 118.95 126.20 1sc0 s ARG 130 Ca -0.08 -0.53 0.04 0.00 -0.13 0.00 0.00 55.73 55.04 1sc0 s ARG 130 Cb -0.03 -1.57 -0.02 0.00 -1.56 0.00 0.00 34.95 31.78 1sc0 s ARG 130 CO -0.02 0.10 -0.20 -1.17 -0.81 0.00 0.00 175.30 173.21 1sc0 s LEU 131 N 0.45 2.39 -0.17 -0.88 2.96 0.05 -1.71 118.68 121.77 1sc0 s LEU 131 Ca -0.13 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.38 1sc0 s LEU 131 Cb -0.15 -1.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 1sc0 s LEU 131 CO 0.04 0.26 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.36 1sc0 s THR 132 N -0.25 3.27 0.07 3.68 2.01 -0.24 -0.72 115.64 123.46 1sc0 s THR 132 Ca 0.00 -0.56 0.09 0.00 0.31 0.00 0.00 61.69 61.54 1sc0 s THR 132 Cb -0.13 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 1sc0 s THR 132 CO 0.03 0.48 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.42 1sc0 s LEU 133 N 0.87 2.28 -0.08 4.42 1.43 0.30 -0.77 118.68 127.13 1sc0 s LEU 133 Ca -0.02 -0.60 -0.07 0.00 -1.03 0.00 0.00 54.13 52.41 1sc0 s LEU 133 Cb -0.15 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 1sc0 s LEU 133 CO 0.01 0.24 0.18 -0.44 0.23 0.00 0.00 176.35 176.57 1sc0 s SER 134 N -1.48 6.43 -0.21 2.29 0.01 0.00 -1.06 113.70 119.68 1sc0 s SER 134 Ca 0.13 0.49 -0.08 0.00 1.31 0.00 0.00 55.95 57.80 1sc0 s SER 134 Cb -0.10 -2.07 -0.04 0.00 0.21 0.00 0.00 66.02 64.02 1sc0 s SER 134 CO 0.04 0.36 0.08 -0.69 0.41 0.00 0.00 173.24 173.43 1sc0 s VAL 135 N -1.12 4.72 0.02 3.43 1.01 0.19 -1.48 120.40 127.18 1sc0 s VAL 135 Ca 0.19 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 1sc0 s VAL 135 Cb -0.13 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 1sc0 s VAL 135 CO 0.09 0.40 -0.02 -0.51 0.00 0.00 0.00 175.10 175.06 1sc0 s ILE 136 N 0.85 0.12 -0.30 2.22 1.10 -0.91 -4.81 121.20 119.46 1sc0 s ILE 136 Ca 0.04 -1.03 -0.29 0.00 -0.51 0.00 0.00 60.65 58.86 1sc0 s ILE 136 Cb -0.14 -0.45 0.01 0.00 0.15 0.00 0.00 42.46 42.04 1sc0 s ILE 136 CO 0.02 -0.57 1.19 0.20 -2.11 0.00 0.00 174.94 173.68 1sc0 s ASN 137 N -1.67 6.81 0.00 4.50 0.01 -1.26 -2.65 114.94 120.68 1sc0 s ASN 137 Ca -0.13 1.15 0.32 0.00 -0.71 0.00 0.00 52.86 53.49 1sc0 s ASN 137 Cb -0.07 -2.54 1.90 0.00 0.41 0.00 0.00 41.25 40.95 1sc0 s ASN 137 CO -0.02 -0.97 2.22 0.00 -1.51 0.00 0.00 177.10 176.82