#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2l s SER 2 N 0.00 -0.75 0.06 1.61 0.15 -1.26 -4.33 113.70 109.18 1x2l s SER 2 Ca 0.00 1.29 0.00 0.00 0.70 0.00 0.00 55.95 57.94 1x2l s SER 2 Cb 0.00 1.66 0.00 0.00 -1.71 0.00 0.00 66.02 65.97 1x2l s SER 2 CO 0.00 -0.22 0.00 -0.24 1.20 0.00 0.00 173.24 173.98 1x2l n SER 3 N 5.11 -8.72 -3.22 5.45 2.88 -1.26 -5.09 113.62 108.78 1x2l n SER 3 Ca -0.13 1.72 -0.00 0.00 -1.33 0.00 0.00 58.87 59.13 1x2l n SER 3 Cb 0.51 -4.92 -0.03 0.00 -0.75 0.00 0.00 64.21 59.02 1x2l n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x2l s GLY 4 N -0.54 -0.82 0.19 0.46 0.00 -1.26 -5.02 107.32 100.33 1x2l s GLY 4 Ca 0.00 1.49 -0.10 0.00 0.00 0.00 0.00 44.72 46.11 1x2l s GLY 4 CO 0.00 3.16 1.72 1.76 0.00 0.00 0.00 173.10 179.74 1x2l h SER 5 N 8.06 0.95 -6.46 1.64 0.02 -2.05 -3.48 113.55 112.24 1x2l h SER 5 Ca -0.21 -0.20 -0.39 0.00 -0.84 0.00 0.00 61.79 60.15 1x2l h SER 5 Cb 1.16 -0.25 -0.11 0.00 0.14 0.00 0.00 62.40 63.34 1x2l h SER 5 CO 0.26 0.90 -0.62 -0.24 -1.14 0.00 0.00 176.83 175.99 1x2l n SER 6 N -4.35 0.10 -3.49 3.07 2.88 -1.26 -4.90 113.62 105.66 1x2l n SER 6 Ca 0.05 -0.82 -0.11 0.00 -1.33 0.00 0.00 58.87 56.66 1x2l n SER 6 Cb 0.21 -1.01 -0.03 0.00 -0.75 0.00 0.00 64.21 62.63 1x2l n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x2l s GLY 7 N -3.91 -0.50 -0.33 0.46 0.00 -1.26 -5.08 107.32 96.70 1x2l s GLY 7 Ca 0.05 1.05 0.00 0.00 0.00 0.00 0.00 44.72 45.82 1x2l s GLY 7 CO 0.63 0.46 0.26 0.00 0.00 0.00 0.00 173.10 174.46 1x2l s ALA 8 N -2.77 0.15 0.00 3.20 0.00 -1.26 -5.09 121.76 115.98 1x2l s ALA 8 Ca 0.01 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1x2l s ALA 8 Cb -0.01 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1x2l s ALA 8 CO -0.06 -1.94 0.00 0.41 0.00 0.00 0.00 175.76 174.17 1x2l n GLY 9 N 4.62 -0.80 3.33 0.00 0.00 -1.26 -4.91 105.19 106.17 1x2l n GLY 9 Ca 0.05 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 1x2l n GLY 9 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1x2l n PRO 10 N -0.45 -2.48 -4.08 1.61 -0.02 -1.26 -5.09 135.00 123.23 1x2l n PRO 10 Ca 0.00 -0.71 -0.12 0.00 -2.02 0.00 0.00 63.50 60.65 1x2l n PRO 10 Cb 0.00 -1.91 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 1x2l n PRO 10 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1x2l s GLY 11 N -2.21 1.16 0.00 -1.23 0.00 -1.26 -5.09 107.32 98.69 1x2l s GLY 11 Ca 0.62 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1x2l s GLY 11 CO 0.63 -0.94 0.00 0.00 0.00 0.00 0.00 173.10 172.79 1x2l n ALA 12 N -0.45 0.00 -0.81 3.20 0.00 -1.26 -5.15 120.51 116.04 1x2l n ALA 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x2l n ALA 12 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1x2l n ALA 12 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1x2l n GLU 13 N 0.00 0.00 -4.59 0.00 2.13 -1.26 -4.67 120.64 112.25 1x2l n GLU 13 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 1x2l n GLU 13 Cb 0.00 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.60 1x2l n GLU 13 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1x2l s GLU 14 N 0.00 2.51 0.37 5.31 -1.05 -1.26 -5.14 118.70 119.44 1x2l s GLU 14 Ca 0.00 -0.72 -0.05 0.00 -0.15 0.00 0.00 54.97 54.05 1x2l s GLU 14 Cb 0.00 -2.45 0.02 0.00 -0.44 0.00 0.00 34.13 31.26 1x2l s GLU 14 CO 0.00 0.61 0.56 -1.83 0.95 0.00 0.00 175.26 175.55 1x2l s GLU 15 N -1.19 2.04 0.26 -4.83 -1.05 -1.26 -5.14 118.70 107.54 1x2l s GLU 15 Ca 0.15 -1.73 -0.30 0.00 -0.15 0.00 0.00 54.97 52.95 1x2l s GLU 15 Cb -0.11 0.49 -0.10 0.00 -0.44 0.00 0.00 34.13 33.97 1x2l s GLU 15 CO 0.05 -0.88 1.37 -0.65 0.95 0.00 0.00 175.26 176.10 1x2l s GLN 16 N -2.75 4.32 -0.00 -4.83 -0.21 -1.26 -5.03 119.66 109.90 1x2l s GLN 16 Ca 0.27 2.22 0.05 0.00 0.02 0.00 0.00 55.36 57.92 1x2l s GLN 16 Cb -0.02 -3.12 -0.01 0.00 1.00 0.00 0.00 33.01 30.86 1x2l s GLN 16 CO 0.19 -0.31 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.38 1x2l s LEU 17 N -0.72 2.06 -0.74 2.90 1.43 -1.26 -5.06 118.68 117.29 1x2l s LEU 17 Ca 0.56 -0.33 -0.26 0.00 -1.03 0.00 0.00 54.13 53.07 1x2l s LEU 17 Cb -0.40 -0.80 0.01 0.00 0.03 0.00 0.00 46.19 45.03 1x2l s LEU 17 CO 0.45 0.17 1.58 -1.81 0.23 0.00 0.00 176.35 176.96 1x2l s ASP 18 N -0.55 5.78 0.35 2.29 1.01 -1.26 -4.52 116.67 119.77 1x2l s ASP 18 Ca 0.06 -0.31 0.03 0.00 0.71 0.00 0.00 52.55 53.03 1x2l s ASP 18 Cb -0.07 -2.55 0.65 0.00 1.01 0.00 0.00 42.92 41.96 1x2l s ASP 18 CO -0.00 -2.09 2.00 0.71 0.21 0.00 0.00 175.17 176.00 1x2l h THR 19 N 6.56 1.14 0.00 -1.27 1.35 -1.91 0.59 112.91 119.36 1x2l h THR 19 Ca -0.18 -0.29 -0.08 0.00 -0.55 0.00 0.00 66.41 65.31 1x2l h THR 19 Cb 1.08 0.22 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 1x2l h THR 19 CO 1.27 0.15 -0.39 0.00 -0.25 0.00 0.00 175.52 176.31 1x2l h ALA 20 N 1.60 1.21 0.01 6.62 0.00 -1.85 0.79 119.26 127.64 1x2l h ALA 20 Ca 0.25 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1x2l h ALA 20 Cb -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1x2l h ALA 20 CO -0.06 0.48 -0.07 1.49 0.00 0.00 0.00 179.25 181.09 1x2l h GLU 21 N 0.00 0.04 -0.47 0.00 4.57 -1.48 -1.46 114.58 115.79 1x2l h GLU 21 Ca -0.00 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.18 1x2l h GLU 21 Cb 0.76 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.31 1x2l h GLU 21 CO 0.05 0.92 0.19 0.82 -1.18 0.00 0.00 179.01 179.81 1x2l h ILE 22 N -0.82 0.89 -0.01 2.32 2.04 -0.84 0.29 117.51 121.38 1x2l h ILE 22 Ca -0.01 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.75 1x2l h ILE 22 Cb 0.95 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1x2l h ILE 22 CO 0.01 0.07 -0.21 0.00 0.00 0.00 0.00 178.15 178.03 1x2l h ALA 23 N 1.29 -0.26 0.59 1.87 0.00 -0.92 -0.15 119.26 121.68 1x2l h ALA 23 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1x2l h ALA 23 Cb 0.19 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1x2l h ALA 23 CO -0.20 -0.70 -0.41 0.35 0.00 0.00 0.00 179.25 178.29 1x2l h PHE 24 N -0.33 -1.10 -0.95 0.00 3.57 -0.43 -1.10 116.94 116.61 1x2l h PHE 24 Ca 0.06 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.64 1x2l h PHE 24 Cb 0.41 0.40 -0.07 0.00 2.79 0.00 0.00 35.95 39.48 1x2l h PHE 24 CO -0.25 -0.61 0.61 1.96 -2.23 0.00 0.00 178.31 177.79 1x2l h GLN 25 N -0.97 0.98 0.15 1.11 4.20 -0.44 0.18 115.11 120.33 1x2l h GLN 25 Ca -0.07 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1x2l h GLN 25 Cb 0.80 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1x2l h GLN 25 CO 0.04 0.65 -0.07 0.28 -0.67 0.00 0.00 178.83 179.06 1x2l h VAL 26 N 1.01 0.95 -0.65 -0.54 2.07 -0.88 -1.61 116.25 116.60 1x2l h VAL 26 Ca 0.43 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1x2l h VAL 26 Cb 0.31 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1x2l h VAL 26 CO -0.18 0.09 0.42 0.11 0.02 0.00 0.00 177.57 178.03 1x2l h LYS 27 N -0.38 0.82 -0.03 1.57 1.57 -0.02 -0.26 116.57 119.84 1x2l h LYS 27 Ca -0.02 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1x2l h LYS 27 Cb 0.30 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1x2l h LYS 27 CO 0.03 0.54 0.02 1.05 -0.57 0.00 0.00 179.45 180.52 1x2l h GLU 28 N 0.84 0.04 -0.44 3.15 -0.00 -0.71 -1.88 114.58 115.58 1x2l h GLU 28 Ca 0.25 -0.00 0.07 0.00 -0.00 0.00 0.00 59.36 59.67 1x2l h GLU 28 Cb -0.05 -0.01 -0.06 0.00 -0.00 0.00 0.00 28.75 28.64 1x2l h GLU 28 CO -0.08 0.05 0.11 1.96 -0.00 0.00 0.00 179.01 181.06 1x2l h GLN 29 N 0.01 0.24 -0.62 1.06 1.08 -0.82 0.44 115.11 116.50 1x2l h GLN 29 Ca 0.01 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1x2l h GLN 29 Cb 0.03 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 1x2l h GLN 29 CO -0.00 0.16 0.38 -0.07 -0.95 0.00 0.00 178.83 178.35 1x2l h LEU 30 N 0.25 0.75 -0.69 1.46 3.38 -0.95 -1.88 115.31 117.63 1x2l h LEU 30 Ca 0.21 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1x2l h LEU 30 Cb 0.25 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1x2l h LEU 30 CO -0.26 0.58 0.31 -0.07 0.09 0.00 0.00 178.44 179.09 1x2l h LEU 31 N 0.84 0.92 -1.02 1.67 3.38 -0.48 0.28 115.31 120.90 1x2l h LEU 31 Ca 0.22 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1x2l h LEU 31 Cb -0.03 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.42 1x2l h LEU 31 CO -0.04 0.81 0.65 0.50 0.09 0.00 0.00 178.44 180.45 1x2l h LYS 32 N 0.96 1.21 -0.17 1.13 3.64 0.56 -2.51 116.57 121.39 1x2l h LYS 32 Ca 0.23 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1x2l h LYS 32 Cb 0.15 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1x2l h LYS 32 CO -0.03 0.80 0.00 0.72 -2.27 0.00 0.00 179.45 178.67 1x2l n HIS 33 N -4.45 0.33 -3.46 1.91 8.25 -0.77 -5.04 115.22 111.99 1x2l n HIS 33 Ca 0.14 -0.64 -0.33 0.00 -0.26 0.00 0.00 57.72 56.63 1x2l n HIS 33 Cb 0.12 -0.10 0.03 0.00 1.12 0.00 0.00 29.99 31.15 1x2l n HIS 33 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1x2l n ASN 34 N -0.27 -4.93 -4.42 0.41 5.15 -0.28 -4.99 115.26 105.93 1x2l n ASN 34 Ca 0.10 -0.37 -0.29 0.00 -0.60 0.00 0.00 54.58 53.42 1x2l n ASN 34 Cb 0.48 -1.49 -0.13 0.00 -0.53 0.00 0.00 39.78 38.12 1x2l n ASN 34 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1x2l s ILE 35 N -1.80 2.41 0.12 -1.44 1.01 0.83 -5.00 121.20 117.33 1x2l s ILE 35 Ca 0.26 -1.68 -0.17 0.00 0.00 0.00 0.00 60.65 59.06 1x2l s ILE 35 Cb -0.03 -2.08 -0.07 0.00 0.01 0.00 0.00 42.46 40.30 1x2l s ILE 35 CO 0.83 0.10 0.57 -0.83 0.00 0.00 0.00 174.94 175.60 1x2l s GLY 36 N -2.07 2.57 0.35 6.18 0.00 -1.26 -4.61 107.32 108.47 1x2l s GLY 36 Ca 0.15 -0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.85 1x2l s GLY 36 CO 0.07 0.32 2.01 -1.61 0.00 0.00 0.00 173.10 173.88 1x2l h GLN 37 N 4.02 0.86 0.39 2.90 4.15 -2.00 -2.94 115.11 122.49 1x2l h GLN 37 Ca -0.49 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 58.87 1x2l h GLN 37 Cb 1.20 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.68 1x2l h GLN 37 CO 0.64 0.57 -0.39 -0.09 -1.93 0.00 0.00 178.83 177.64 1x2l h ARG 38 N 0.89 -0.77 -0.64 1.69 1.12 -1.94 -0.77 114.38 113.95 1x2l h ARG 38 Ca 0.24 0.05 0.04 0.00 -1.11 0.00 0.00 59.98 59.20 1x2l h ARG 38 Cb -0.10 0.17 -0.05 0.00 -0.01 0.00 0.00 29.97 29.99 1x2l h ARG 38 CO -0.05 -0.51 0.38 0.28 -3.11 0.00 0.00 179.97 176.95 1x2l h VAL 39 N -0.80 1.03 -0.23 0.20 2.07 -1.94 0.24 116.25 116.82 1x2l h VAL 39 Ca -0.03 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1x2l h VAL 39 Cb 0.71 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1x2l h VAL 39 CO -0.06 0.13 -0.10 0.15 0.02 0.00 0.00 177.57 177.71 1x2l h PHE 40 N 0.73 -0.22 0.00 1.57 3.57 -1.38 -1.48 116.94 119.73 1x2l h PHE 40 Ca 0.27 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.72 1x2l h PHE 40 Cb 0.09 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1x2l h PHE 40 CO -0.06 -0.15 -0.35 0.78 -2.23 0.00 0.00 178.31 176.30 1x2l h GLY 41 N -0.06 0.00 1.84 2.40 0.00 -0.28 -0.26 103.07 106.70 1x2l h GLY 41 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.22 1x2l h GLY 41 CO -0.27 0.00 -1.05 0.84 0.00 0.00 0.00 176.54 176.06 1x2l h HIS 42 N 0.00 0.21 0.00 5.60 -0.00 -0.01 0.58 115.15 121.53 1x2l h HIS 42 Ca -0.00 -0.15 -0.25 0.00 -0.00 0.00 0.00 60.37 59.97 1x2l h HIS 42 Cb 0.85 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.41 28.20 1x2l h HIS 42 CO 0.00 1.08 -1.89 0.66 -0.00 0.00 0.00 177.93 177.78 1x2l n TYR 43 N -3.48 0.00 0.01 5.26 4.01 -0.61 -3.70 117.16 118.65 1x2l n TYR 43 Ca -0.03 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.53 1x2l n TYR 43 Cb 0.94 -0.58 -0.13 0.00 -0.31 0.00 0.00 39.34 39.25 1x2l n TYR 43 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1x2l h VAL 44 N -0.29 1.57 0.00 -0.72 2.07 -1.23 -3.39 116.25 114.27 1x2l h VAL 44 Ca -0.38 -2.37 -0.36 0.00 0.82 0.00 0.00 66.70 64.41 1x2l h VAL 44 Cb 1.44 3.13 -0.07 0.00 -1.52 0.00 0.00 31.29 34.28 1x2l h VAL 44 CO -0.15 0.66 -2.27 0.18 0.02 0.00 0.00 177.57 176.01 1x2l n LEU 45 N -4.29 0.41 0.00 2.57 4.77 -1.14 -4.84 117.00 114.48 1x2l n LEU 45 Ca -0.12 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1x2l n LEU 45 Cb 0.69 0.32 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 1x2l n LEU 45 CO 0.44 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 1x2l n GLY 46 N 1.75 0.78 4.00 -0.72 0.00 0.17 -4.81 105.19 106.37 1x2l n GLY 46 Ca -0.31 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 1x2l n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x2l s LEU 47 N 0.00 2.98 0.72 0.99 1.43 0.43 -4.86 118.68 120.37 1x2l s LEU 47 Ca 0.00 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.50 1x2l s LEU 47 Cb 0.00 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.41 1x2l s LEU 47 CO 0.00 -1.84 1.07 -0.94 0.23 0.00 0.00 176.35 174.88 1x2l s SER 48 N -4.75 5.04 0.24 2.29 1.04 -1.26 -3.83 113.70 112.47 1x2l s SER 48 Ca 0.66 1.72 -0.04 0.00 0.48 0.00 0.00 55.95 58.77 1x2l s SER 48 Cb -0.05 -2.51 0.45 0.00 0.10 0.00 0.00 66.02 64.01 1x2l s SER 48 CO 0.44 -1.67 1.74 -0.61 0.98 0.00 0.00 173.24 174.11 1x2l h GLN 49 N -0.81 0.46 0.15 4.02 4.15 -1.91 -2.41 115.11 118.76 1x2l h GLN 49 Ca -0.44 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 58.97 1x2l h GLN 49 Cb 1.22 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.77 1x2l h GLN 49 CO 0.55 0.31 -0.28 0.78 -1.93 0.00 0.00 178.83 178.25 1x2l h GLY 50 N 0.48 -0.55 0.34 2.39 0.00 -1.99 -1.94 103.07 101.81 1x2l h GLY 50 Ca 0.41 0.33 -0.01 0.00 0.00 0.00 0.00 47.33 48.05 1x2l h GLY 50 CO -0.38 -0.23 -0.26 1.76 0.00 0.00 0.00 176.54 177.42 1x2l h SER 51 N -0.51 -0.69 -0.75 0.19 0.02 -1.85 -2.43 113.55 107.53 1x2l h SER 51 Ca 0.02 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1x2l h SER 51 Cb 0.53 0.21 -0.05 0.00 0.14 0.00 0.00 62.40 63.24 1x2l h SER 51 CO -0.14 -0.37 0.49 -0.37 -1.14 0.00 0.00 176.83 175.30 1x2l h VAL 52 N -0.58 1.06 0.00 2.27 -1.51 -1.47 0.07 116.25 116.09 1x2l h VAL 52 Ca -0.04 -0.29 -0.03 0.00 -1.23 0.00 0.00 66.70 65.11 1x2l h VAL 52 Cb 0.48 0.15 -0.00 0.00 -2.13 0.00 0.00 31.29 29.78 1x2l h VAL 52 CO 0.01 0.15 -0.13 0.28 -1.23 0.00 0.00 177.57 176.65 1x2l h SER 53 N 0.84 0.00 -0.11 4.19 0.02 -1.28 0.80 113.55 118.02 1x2l h SER 53 Ca 0.31 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 1x2l h SER 53 Cb 0.17 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1x2l h SER 53 CO -0.10 0.13 0.04 -0.08 -1.14 0.00 0.00 176.83 175.69 1x2l h GLU 54 N 0.00 0.16 -0.78 3.45 4.81 -0.48 -1.52 114.58 120.22 1x2l h GLU 54 Ca -0.00 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1x2l h GLU 54 Cb 0.25 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 1x2l h GLU 54 CO 0.02 0.26 0.48 0.82 -0.73 0.00 0.00 179.01 179.85 1x2l h ILE 55 N 0.02 1.06 0.00 2.32 2.04 -0.47 0.16 117.51 122.64 1x2l h ILE 55 Ca 0.04 -0.31 -0.14 0.00 1.00 0.00 0.00 64.86 65.45 1x2l h ILE 55 Cb 0.16 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 1x2l h ILE 55 CO -0.00 0.16 -0.65 -0.07 0.00 0.00 0.00 178.15 177.59 1x2l h LEU 56 N 0.90 0.00 -0.11 1.44 3.38 -1.10 -1.71 115.31 118.11 1x2l h LEU 56 Ca 0.33 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.11 1x2l h LEU 56 Cb 0.11 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.87 1x2l h LEU 56 CO -0.15 0.65 -0.66 0.00 0.09 0.00 0.00 178.44 178.37 1x2l h ALA 57 N 1.35 0.23 -2.04 1.53 0.00 -0.35 -3.42 119.26 116.56 1x2l h ALA 57 Ca -0.01 -0.56 -0.47 0.00 0.00 0.00 0.00 54.91 53.88 1x2l h ALA 57 Cb 1.39 -0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.85 1x2l h ALA 57 CO 0.08 0.52 -0.82 1.03 0.00 0.00 0.00 179.25 180.06 1x2l s ARG 58 N -3.66 0.87 -0.82 0.00 0.52 0.47 -5.08 118.95 111.25 1x2l s ARG 58 Ca -0.12 -1.64 -0.25 0.00 -0.52 0.00 0.00 55.73 53.20 1x2l s ARG 58 Cb 0.07 -1.02 0.01 0.00 0.52 0.00 0.00 34.95 34.54 1x2l s ARG 58 CO 0.87 -1.33 1.54 -1.25 0.02 0.00 0.00 175.30 175.14 1x2l s PRO 59 N 0.52 3.10 0.83 3.54 0.04 -0.64 -4.51 135.00 137.87 1x2l s PRO 59 Ca 0.29 -0.33 -0.12 0.00 0.04 0.00 0.00 61.00 60.87 1x2l s PRO 59 Cb -0.02 -4.69 0.09 0.00 0.04 0.00 0.00 34.50 29.92 1x2l s PRO 59 CO -0.12 -2.46 1.17 0.15 0.04 0.00 0.00 177.00 175.78 1x2l s LYS 60 N 5.97 1.57 0.59 4.56 1.02 -1.26 -4.56 119.74 127.63 1x2l s LYS 60 Ca 0.50 1.63 -0.19 0.00 0.02 0.00 0.00 55.97 57.92 1x2l s LYS 60 Cb -0.06 -1.78 -0.03 0.00 -0.52 0.00 0.00 37.83 35.43 1x2l s LYS 60 CO 0.07 -2.23 1.26 -1.25 -0.92 0.00 0.00 175.35 172.27 1x2l s PRO 61 N -4.35 2.91 0.21 -1.68 0.04 -1.26 -4.74 135.00 126.13 1x2l s PRO 61 Ca 0.70 1.98 -0.09 0.00 0.04 0.00 0.00 61.00 63.63 1x2l s PRO 61 Cb -0.25 -1.99 0.26 0.00 0.04 0.00 0.00 34.50 32.56 1x2l s PRO 61 CO 0.53 -1.29 1.80 2.35 0.04 0.00 0.00 177.00 180.42 1x2l h TRP 62 N 0.95 0.67 0.00 0.56 2.91 -1.92 0.10 115.95 119.22 1x2l h TRP 62 Ca -0.51 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.54 1x2l h TRP 62 Cb 1.31 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 29.76 1x2l h TRP 62 CO 0.45 0.30 0.00 2.89 -1.03 0.00 0.00 178.44 181.05 1x2l n ARG 63 N -4.81 0.08 0.00 2.65 0.00 -1.26 -1.33 116.66 111.99 1x2l n ARG 63 Ca 0.09 0.57 0.12 0.00 -0.00 0.00 0.00 57.85 58.63 1x2l n ARG 63 Cb 0.20 -1.75 0.19 0.00 -0.00 0.00 0.00 32.46 31.10 1x2l n ARG 63 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1x2l n LYS 64 N -1.92 0.56 -4.08 2.89 4.76 0.35 -4.97 118.16 115.76 1x2l n LYS 64 Ca -0.01 -0.39 -0.29 0.00 -2.87 0.00 0.00 58.31 54.75 1x2l n LYS 64 Cb 0.02 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 31.65 1x2l n LYS 64 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1x2l s LEU 65 N -2.70 3.71 0.87 -0.35 1.43 -0.44 -4.97 118.68 116.23 1x2l s LEU 65 Ca 0.17 -0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 53.10 1x2l s LEU 65 Cb 0.18 -2.39 0.18 0.00 0.03 0.00 0.00 46.19 44.19 1x2l s LEU 65 CO 0.63 0.15 1.19 0.42 0.23 0.00 0.00 176.35 178.97 1x2l s THR 66 N -1.46 2.03 0.25 5.49 -4.23 -1.26 -4.84 115.64 111.62 1x2l s THR 66 Ca 0.29 -0.28 -0.03 0.00 -1.18 0.00 0.00 61.69 60.49 1x2l s THR 66 Cb -0.12 -2.74 0.23 0.00 1.34 0.00 0.00 72.50 71.21 1x2l s THR 66 CO 0.21 0.00 1.75 0.58 -0.54 0.00 0.00 174.62 176.62 1x2l h VAL 67 N -1.19 0.71 -0.60 2.29 2.07 -1.98 0.15 116.25 117.69 1x2l h VAL 67 Ca -0.40 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 1x2l h VAL 67 Cb 1.24 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1x2l h VAL 67 CO 0.36 0.10 0.20 0.11 0.02 0.00 0.00 177.57 178.36 1x2l h LYS 68 N 0.54 0.93 -0.23 1.57 1.57 -2.00 -1.12 116.57 117.83 1x2l h LYS 68 Ca 0.43 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 59.05 1x2l h LYS 68 Cb 0.62 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1x2l h LYS 68 CO -0.37 0.82 0.16 0.78 -0.57 0.00 0.00 179.45 180.27 1x2l h GLY 69 N 0.85 0.20 0.86 3.86 0.00 -1.53 -2.83 103.07 104.49 1x2l h GLY 69 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1x2l h GLY 69 CO -0.01 0.06 -1.05 0.28 0.00 0.00 0.00 176.54 175.82 1x2l n LYS 70 N -4.50 0.52 -0.31 4.80 5.02 0.39 -4.37 118.16 119.71 1x2l n LYS 70 Ca 0.02 0.07 -0.06 0.00 -2.02 0.00 0.00 58.31 56.31 1x2l n LYS 70 Cb 0.18 -1.75 -0.02 0.00 -0.02 0.00 0.00 35.03 33.43 1x2l n LYS 70 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1x2l h GLU 71 N 0.00 -0.09 -0.28 1.97 4.81 -0.95 0.07 114.58 120.10 1x2l h GLU 71 Ca 0.00 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1x2l h GLU 71 Cb 0.93 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1x2l h GLU 71 CO 0.00 -0.06 -0.04 -1.00 -0.73 0.00 0.00 179.01 177.18 1x2l h PRO 72 N -0.10 0.53 -0.31 0.92 0.13 -1.76 -2.97 132.00 128.44 1x2l h PRO 72 Ca 0.24 -0.19 -0.06 0.00 -0.87 0.00 0.00 66.00 65.12 1x2l h PRO 72 Cb 0.54 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 1x2l h PRO 72 CO -0.85 0.71 -0.07 0.74 -0.23 0.00 0.00 178.00 178.30 1x2l h PHE 73 N 0.30 0.53 0.34 1.56 0.04 -1.48 0.14 116.94 118.38 1x2l h PHE 73 Ca 0.08 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 1x2l h PHE 73 Cb 0.49 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1x2l h PHE 73 CO 0.04 0.57 -0.17 0.82 -0.60 0.00 0.00 178.31 178.98 1x2l h ILE 74 N 0.47 0.68 -0.63 -0.55 2.04 -1.05 0.11 117.51 118.58 1x2l h ILE 74 Ca 0.09 -0.26 0.10 0.00 1.00 0.00 0.00 64.86 65.80 1x2l h ILE 74 Cb 0.42 0.82 -0.08 0.00 -0.74 0.00 0.00 36.82 37.24 1x2l h ILE 74 CO 0.02 0.05 0.21 0.11 0.00 0.00 0.00 178.15 178.55 1x2l h LYS 75 N -0.61 0.37 -0.02 2.37 1.57 -1.23 0.05 116.57 119.07 1x2l h LYS 75 Ca -0.05 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1x2l h LYS 75 Cb 0.44 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1x2l h LYS 75 CO 0.08 0.24 0.01 0.52 -0.57 0.00 0.00 179.45 179.73 1x2l h MET 76 N 0.38 0.03 -0.96 3.15 2.86 -0.66 -1.10 114.93 118.63 1x2l h MET 76 Ca 0.32 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.99 1x2l h MET 76 Cb 0.43 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.03 1x2l h MET 76 CO -0.34 0.19 0.62 -0.22 1.06 0.00 0.00 176.91 178.22 1x2l h LYS 77 N -0.14 1.17 -0.37 1.72 3.64 -0.03 -0.95 116.57 121.61 1x2l h LYS 77 Ca 0.01 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1x2l h LYS 77 Cb 0.17 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1x2l h LYS 77 CO -0.00 0.77 0.08 1.96 -2.27 0.00 0.00 179.45 179.99 1x2l h GLN 78 N 1.20 0.60 -0.69 1.90 1.08 -0.93 -2.22 115.11 116.05 1x2l h GLN 78 Ca 0.38 -0.15 0.12 0.00 -1.45 0.00 0.00 58.65 57.55 1x2l h GLN 78 Cb 0.01 -0.08 -0.09 0.00 -0.05 0.00 0.00 27.48 27.28 1x2l h GLN 78 CO -0.13 0.65 0.26 0.35 -0.95 0.00 0.00 178.83 179.01 1x2l h PHE 79 N 0.45 0.44 0.00 2.96 3.04 -0.62 -2.18 116.94 121.04 1x2l h PHE 79 Ca 0.12 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1x2l h PHE 79 Cb 0.32 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.74 1x2l h PHE 79 CO 0.02 0.07 0.00 1.28 -2.02 0.00 0.00 178.31 177.66 1x2l n LEU 80 N -5.01 0.00 0.05 0.59 4.77 -0.41 -3.23 117.00 113.76 1x2l n LEU 80 Ca 0.12 0.49 0.12 0.00 -0.03 0.00 0.00 56.01 56.70 1x2l n LEU 80 Cb 0.35 -0.49 0.47 0.00 -2.33 0.00 0.00 43.42 41.42 1x2l n LEU 80 CO 0.20 -0.04 0.87 -0.24 -1.33 0.00 0.00 177.39 176.84 1x2l n SER 81 N -1.49 0.32 -3.14 -1.43 2.88 -0.82 -4.73 113.62 105.21 1x2l n SER 81 Ca 0.07 0.55 0.03 0.00 -1.33 0.00 0.00 58.87 58.19 1x2l n SER 81 Cb 0.30 -0.63 -0.00 0.00 -0.75 0.00 0.00 64.21 63.13 1x2l n SER 81 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1x2l s ASP 82 N -3.59 -1.37 0.55 -3.46 2.15 -1.20 -5.04 116.67 104.71 1x2l s ASP 82 Ca 0.10 -0.22 0.30 0.00 0.43 0.00 0.00 52.55 53.16 1x2l s ASP 82 Cb 0.13 1.80 1.47 0.00 -0.30 0.00 0.00 42.92 46.02 1x2l s ASP 82 CO 0.45 -0.21 1.90 -0.08 -0.17 0.00 0.00 175.17 177.07 1x2l h GLU 83 N 7.33 0.00 -0.16 4.34 4.57 -1.85 -1.35 114.58 127.46 1x2l h GLU 83 Ca 0.00 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.23 1x2l h GLU 83 Cb 1.19 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 1x2l h GLU 83 CO 0.09 0.00 0.32 1.96 -1.18 0.00 0.00 179.01 180.20 1x2l h GLN 84 N 0.00 0.00 -0.33 1.92 1.08 -1.96 0.45 115.11 116.27 1x2l h GLN 84 Ca 0.37 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.51 1x2l h GLN 84 Cb 1.53 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.95 1x2l h GLN 84 CO -0.00 0.00 -0.01 -0.91 -0.95 0.00 0.00 178.83 176.96 1x2l h ASN 85 N 0.00 0.58 0.17 1.46 2.35 -1.49 -2.89 115.58 115.76 1x2l h ASN 85 Ca 0.08 -0.31 -0.21 0.00 -0.55 0.00 0.00 56.30 55.31 1x2l h ASN 85 Cb 0.73 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1x2l h ASN 85 CO -0.00 0.76 -0.81 1.62 -1.65 0.00 0.00 177.43 177.35 1x2l h VAL 86 N 0.40 1.35 -0.59 2.81 3.04 -1.12 -2.10 116.25 120.04 1x2l h VAL 86 Ca 0.09 -2.18 0.05 0.00 -1.01 0.00 0.00 66.70 63.65 1x2l h VAL 86 Cb 0.46 2.17 -0.03 0.00 -2.01 0.00 0.00 31.29 31.88 1x2l h VAL 86 CO 0.02 0.66 0.39 -0.07 -1.01 0.00 0.00 177.57 177.56 1x2l h LEU 87 N 0.33 0.54 -0.10 3.16 4.07 -1.55 0.72 115.31 122.49 1x2l h LEU 87 Ca -0.05 -0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.80 1x2l h LEU 87 Cb 1.41 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 43.04 1x2l h LEU 87 CO 0.15 0.36 -0.36 0.00 -1.08 0.00 0.00 178.44 177.51 1x2l h ALA 88 N 1.67 0.17 -0.04 1.53 0.00 -1.44 -3.22 119.26 117.93 1x2l h ALA 88 Ca 0.24 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1x2l h ALA 88 Cb 0.18 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1x2l h ALA 88 CO -0.07 0.25 0.03 -0.07 0.00 0.00 0.00 179.25 179.39 1x2l h LEU 89 N -0.03 0.00 -0.80 0.00 -0.00 -0.45 0.18 115.31 114.21 1x2l h LEU 89 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.84 1x2l h LEU 89 Cb 0.99 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.61 1x2l h LEU 89 CO 0.08 0.00 0.43 0.03 -0.00 0.00 0.00 178.44 178.97 1x2l h ARG 90 N 0.00 1.13 -0.49 1.13 3.08 -0.93 -0.76 114.38 117.54 1x2l h ARG 90 Ca 0.02 -0.14 0.03 0.00 0.07 0.00 0.00 59.98 59.96 1x2l h ARG 90 Cb 0.08 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 1x2l h ARG 90 CO -0.00 0.84 0.28 1.15 -1.07 0.00 0.00 179.97 181.17 1x2l h THR 91 N 1.12 1.02 -0.27 2.04 2.02 -1.03 -1.56 112.91 116.26 1x2l h THR 91 Ca 0.28 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1x2l h THR 91 Cb 0.05 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1x2l h THR 91 CO -0.04 0.10 0.17 0.40 0.37 0.00 0.00 175.52 176.52 1x2l h ILE 92 N 0.55 1.07 -0.17 3.11 2.04 -1.12 -1.16 117.51 121.84 1x2l h ILE 92 Ca 0.20 -0.15 -0.16 0.00 1.00 0.00 0.00 64.86 65.75 1x2l h ILE 92 Cb 0.05 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1x2l h ILE 92 CO -0.11 0.07 -0.53 -0.61 0.00 0.00 0.00 178.15 176.97 1x2l h GLN 93 N 0.36 0.65 0.00 2.37 5.75 -0.22 -0.75 115.11 123.27 1x2l h GLN 93 Ca 0.10 -0.48 0.00 0.00 -0.15 0.00 0.00 58.65 58.12 1x2l h GLN 93 Cb -0.03 0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.61 1x2l h GLN 93 CO -0.02 1.10 0.00 -0.24 -2.65 0.00 0.00 178.83 177.02 1x2l h VAL 94 N 0.33 0.00 -0.01 2.39 3.04 -1.07 -1.61 116.25 119.32 1x2l h VAL 94 Ca -0.02 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1x2l h VAL 94 Cb 1.15 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 1x2l h VAL 94 CO 0.11 0.00 -0.06 0.54 -1.01 0.00 0.00 177.57 177.15 1x2l n ARG 95 N -3.05 1.11 0.23 4.17 5.12 -0.46 -4.53 116.66 119.25 1x2l n ARG 95 Ca -0.00 -0.45 0.09 0.00 -1.93 0.00 0.00 57.85 55.56 1x2l n ARG 95 Cb 0.25 -1.49 0.57 0.00 -1.16 0.00 0.00 32.46 30.64 1x2l n ARG 95 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1x2l h SER 96 N 1.10 0.00 -0.46 0.55 0.87 -0.11 -3.47 113.55 112.04 1x2l h SER 96 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1x2l h SER 96 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1x2l h SER 96 CO 0.00 0.21 0.00 0.61 -0.53 0.00 0.00 176.83 177.12 1x2l n GLY 97 N -0.48 1.29 3.57 5.77 0.00 -1.26 -5.07 105.19 109.01 1x2l n GLY 97 Ca -0.01 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 1x2l n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x2l s PRO 98 N -1.65 2.39 -1.30 1.61 0.04 -1.26 -4.25 135.00 130.58 1x2l s PRO 98 Ca 0.00 -0.41 -0.01 0.00 0.04 0.00 0.00 61.00 60.62 1x2l s PRO 98 Cb 0.00 -5.07 0.00 0.00 0.04 0.00 0.00 34.50 29.47 1x2l s PRO 98 CO 0.00 -3.71 0.76 0.45 0.04 0.00 0.00 177.00 174.54 1x2l n SER 99 N 14.77 -1.43 -0.23 6.66 2.88 -1.26 -4.89 113.62 130.11 1x2l n SER 99 Ca 0.42 -0.79 0.03 0.00 -1.33 0.00 0.00 58.87 57.20 1x2l n SER 99 Cb 0.46 -4.22 0.15 0.00 -0.75 0.00 0.00 64.21 59.85 1x2l n SER 99 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1x2l h SER 100 N -1.89 0.24 0.00 -3.46 0.02 -1.84 -3.53 113.55 103.09 1x2l h SER 100 Ca -0.61 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1x2l h SER 100 Cb 1.36 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1x2l h SER 100 CO 0.56 0.12 0.00 0.61 -1.14 0.00 0.00 176.83 176.97