#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 -0.17 0.20 1.61 0.15 -1.26 -5.17 113.70 109.05 1x2l s SER 2 Ca 0.00 -0.65 0.07 0.00 0.70 0.00 0.00 55.95 56.07 1x2l s SER 2 Cb 0.00 0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 64.83 1x2l s SER 2 CO 0.00 -1.06 0.06 -0.94 1.20 0.00 0.00 173.24 172.50 1x2l s SER 3 N -2.92 5.01 -0.30 5.45 1.04 -1.26 -5.13 113.70 115.60 1x2l s SER 3 Ca 0.13 -0.35 -0.17 0.00 0.48 0.00 0.00 55.95 56.04 1x2l s SER 3 Cb -0.00 -1.14 0.19 0.00 0.10 0.00 0.00 66.02 65.17 1x2l s SER 3 CO 0.00 0.05 1.22 -0.83 0.98 0.00 0.00 173.24 174.67 1x2l s GLY 4 N -3.21 0.46 -0.36 7.32 0.00 -1.26 -5.05 107.32 105.22 1x2l s GLY 4 Ca 0.30 3.64 0.05 0.00 0.00 0.00 0.00 44.72 48.70 1x2l s GLY 4 CO 0.21 2.61 0.50 -0.56 0.00 0.00 0.00 173.10 175.85 1x2l s SER 5 N 0.95 -0.32 0.33 1.64 0.01 -1.26 -5.13 113.70 109.92 1x2l s SER 5 Ca -0.06 -0.80 0.05 0.00 1.31 0.00 0.00 55.95 56.45 1x2l s SER 5 Cb -0.03 1.37 -0.06 0.00 0.21 0.00 0.00 66.02 67.50 1x2l s SER 5 CO -0.11 -0.26 0.04 -0.44 0.41 0.00 0.00 173.24 172.88 1x2l s SER 6 N 2.01 2.61 0.09 2.44 0.01 -1.26 -5.16 113.70 114.44 1x2l s SER 6 Ca 0.14 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 56.05 1x2l s SER 6 Cb -0.10 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1x2l s SER 6 CO -0.14 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 173.57 1x2l n GLY 7 N -0.71 -0.62 3.90 3.44 0.00 -1.26 -5.10 105.19 104.84 1x2l n GLY 7 Ca -0.03 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 1x2l n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x2l s ALA 8 N -3.88 3.06 -0.42 4.61 0.00 -1.26 -5.08 121.76 118.80 1x2l s ALA 8 Ca 0.00 -0.47 0.07 0.00 0.00 0.00 0.00 51.96 51.57 1x2l s ALA 8 Cb 0.00 -2.86 0.24 0.00 0.00 0.00 0.00 23.12 20.50 1x2l s ALA 8 CO 0.00 -0.98 0.60 0.41 0.00 0.00 0.00 175.76 175.79 1x2l n GLY 9 N -2.83 2.00 3.59 0.00 0.00 -1.26 -5.12 105.19 101.57 1x2l n GLY 9 Ca 0.06 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 1x2l n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x2l s PRO 10 N -0.56 3.37 0.00 1.61 0.04 -1.26 -5.00 135.00 133.20 1x2l s PRO 10 Ca 0.34 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1x2l s PRO 10 Cb 0.17 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1x2l s PRO 10 CO -0.15 -1.84 0.00 0.41 0.04 0.00 0.00 177.00 175.47 1x2l n GLY 11 N 5.24 0.73 3.19 0.56 0.00 -1.26 -5.14 105.19 108.51 1x2l n GLY 11 Ca 0.16 -1.64 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 1x2l n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x2l s ALA 12 N -3.65 1.12 0.00 4.61 0.00 -1.26 -5.13 121.76 117.45 1x2l s ALA 12 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1x2l s ALA 12 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1x2l s ALA 12 CO 0.00 -0.17 0.00 0.39 0.00 0.00 0.00 175.76 175.98 1x2l n GLU 13 N -0.01 0.00 -2.63 0.00 1.02 -1.26 -4.28 120.64 113.47 1x2l n GLU 13 Ca -0.12 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.59 1x2l n GLU 13 Cb 0.60 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 32.00 1x2l n GLU 13 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1x2l s GLU 14 N 0.00 4.23 0.00 3.49 2.12 -1.26 -5.00 118.70 122.28 1x2l s GLU 14 Ca 0.00 1.35 0.00 0.00 0.36 0.00 0.00 54.97 56.68 1x2l s GLU 14 Cb 0.00 -3.67 0.00 0.00 0.26 0.00 0.00 34.13 30.72 1x2l s GLU 14 CO 0.00 -0.68 0.00 -0.85 -0.54 0.00 0.00 175.26 173.19 1x2l n GLU 15 N 6.43 2.37 -3.91 4.30 0.28 -1.26 -5.12 120.64 123.72 1x2l n GLU 15 Ca 0.12 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.77 1x2l n GLU 15 Cb 0.46 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.19 1x2l n GLU 15 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1x2l s GLN 16 N 2.72 3.24 -0.03 3.44 -0.21 -1.26 -5.10 119.66 122.45 1x2l s GLN 16 Ca 0.00 -0.72 0.01 0.00 0.02 0.00 0.00 55.36 54.67 1x2l s GLN 16 Cb 0.00 -3.02 -0.03 0.00 1.00 0.00 0.00 33.01 30.95 1x2l s GLN 16 CO 0.00 -0.26 -0.03 -0.51 -2.12 0.00 0.00 175.29 172.37 1x2l s LEU 17 N 1.45 3.35 -0.64 2.90 1.43 -1.26 -5.05 118.68 120.86 1x2l s LEU 17 Ca 0.04 -0.02 -0.27 0.00 -1.03 0.00 0.00 54.13 52.86 1x2l s LEU 17 Cb -0.15 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.23 1x2l s LEU 17 CO -0.03 0.32 1.52 -1.81 0.23 0.00 0.00 176.35 176.58 1x2l s ASP 18 N -1.21 5.85 0.24 2.29 1.01 -1.26 -4.55 116.67 119.04 1x2l s ASP 18 Ca 0.16 0.03 -0.05 0.00 0.71 0.00 0.00 52.55 53.40 1x2l s ASP 18 Cb -0.11 -2.55 0.26 0.00 1.01 0.00 0.00 42.92 41.53 1x2l s ASP 18 CO 0.06 -1.99 1.82 0.71 0.21 0.00 0.00 175.17 175.98 1x2l h THR 19 N 6.42 1.25 0.00 -1.27 1.35 -1.90 -1.29 112.91 117.46 1x2l h THR 19 Ca -0.27 -0.77 -0.05 0.00 -0.55 0.00 0.00 66.41 64.77 1x2l h THR 19 Cb 1.10 0.36 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 1x2l h THR 19 CO 1.23 0.31 -0.24 0.00 -0.25 0.00 0.00 175.52 176.57 1x2l h ALA 20 N 1.26 1.58 0.07 6.62 0.00 -1.87 0.38 119.26 127.29 1x2l h ALA 20 Ca 0.25 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1x2l h ALA 20 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1x2l h ALA 20 CO -0.02 0.30 -0.03 1.49 0.00 0.00 0.00 179.25 180.98 1x2l h GLU 21 N 0.00 -0.09 -0.70 0.00 4.81 -1.87 -1.46 114.58 115.28 1x2l h GLU 21 Ca -0.00 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1x2l h GLU 21 Cb 0.43 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.77 1x2l h GLU 21 CO 0.03 0.47 0.36 0.82 -0.73 0.00 0.00 179.01 179.96 1x2l h ILE 22 N -0.87 0.89 -0.24 2.32 2.04 -1.10 0.24 117.51 120.79 1x2l h ILE 22 Ca -0.01 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.65 1x2l h ILE 22 Cb 0.61 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1x2l h ILE 22 CO 0.02 0.11 0.13 0.00 0.00 0.00 0.00 178.15 178.41 1x2l h ALA 23 N 1.40 0.30 0.02 1.87 0.00 -0.97 0.16 119.26 122.04 1x2l h ALA 23 Ca 0.33 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1x2l h ALA 23 Cb 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1x2l h ALA 23 CO -0.24 -0.26 -0.01 0.35 0.00 0.00 0.00 179.25 179.09 1x2l h PHE 24 N 0.28 -0.03 -0.47 0.00 3.04 -0.10 -1.30 116.94 118.36 1x2l h PHE 24 Ca 0.10 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.05 1x2l h PHE 24 Cb 0.01 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.50 1x2l h PHE 24 CO -0.08 0.02 0.31 1.96 -2.02 0.00 0.00 178.31 178.49 1x2l h GLN 25 N -0.06 0.60 0.08 1.11 4.20 -0.44 -0.10 115.11 120.50 1x2l h GLN 25 Ca -0.00 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1x2l h GLN 25 Cb 0.06 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1x2l h GLN 25 CO 0.00 0.40 -0.04 0.28 -0.67 0.00 0.00 178.83 178.80 1x2l h VAL 26 N 0.62 0.91 -0.87 -0.54 2.07 -0.92 -0.98 116.25 116.55 1x2l h VAL 26 Ca 0.18 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.80 1x2l h VAL 26 Cb -0.05 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 30.56 1x2l h VAL 26 CO -0.05 0.00 0.51 0.11 0.02 0.00 0.00 177.57 178.16 1x2l h LYS 27 N -0.11 0.81 -0.15 1.57 1.57 -0.62 -0.55 116.57 119.09 1x2l h LYS 27 Ca -0.01 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.54 1x2l h LYS 27 Cb 0.09 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1x2l h LYS 27 CO 0.02 0.54 -0.65 1.05 -0.57 0.00 0.00 179.45 179.83 1x2l h GLU 28 N 0.83 0.57 -0.76 3.15 4.11 -0.84 -2.05 114.58 119.60 1x2l h GLU 28 Ca 0.42 -0.41 -0.03 0.00 0.07 0.00 0.00 59.36 59.41 1x2l h GLU 28 Cb 0.40 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1x2l h GLU 28 CO -0.25 1.03 0.37 1.96 0.07 0.00 0.00 179.01 182.19 1x2l h GLN 29 N 0.41 1.09 -0.46 1.06 1.08 -0.43 0.31 115.11 118.17 1x2l h GLN 29 Ca -0.02 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.01 1x2l h GLN 29 Cb 1.23 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 28.44 1x2l h GLN 29 CO 0.12 0.84 0.22 -0.07 -0.95 0.00 0.00 178.83 179.00 1x2l h LEU 30 N 1.06 0.60 -0.28 1.46 3.38 -1.11 -2.64 115.31 117.78 1x2l h LEU 30 Ca 0.26 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1x2l h LEU 30 Cb 0.11 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1x2l h LEU 30 CO -0.03 0.55 0.11 -0.07 0.09 0.00 0.00 178.44 179.09 1x2l h LEU 31 N 0.60 0.14 -1.97 1.67 -0.00 -0.93 0.21 115.31 115.03 1x2l h LEU 31 Ca 0.16 0.02 0.13 0.00 -0.00 0.00 0.00 57.88 58.19 1x2l h LEU 31 Cb 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.75 1x2l h LEU 31 CO -0.02 0.11 0.33 0.11 -0.00 0.00 0.00 178.44 178.97 1x2l h LYS 32 N 0.24 0.03 0.00 1.13 1.57 -0.03 -2.52 116.57 116.99 1x2l h LYS 32 Ca 0.12 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1x2l h LYS 32 Cb 0.07 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1x2l h LYS 32 CO -0.11 0.02 -0.04 0.72 -0.57 0.00 0.00 179.45 179.47 1x2l n HIS 33 N -4.41 0.00 -3.51 -1.35 8.25 -1.13 -5.05 115.22 108.03 1x2l n HIS 33 Ca 0.08 -0.35 -0.21 0.00 -0.26 0.00 0.00 57.72 56.98 1x2l n HIS 33 Cb 0.52 -0.04 0.03 0.00 1.12 0.00 0.00 29.99 31.61 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 -0.40 -5.99 -4.72 0.41 2.85 -0.19 -5.00 115.26 102.22 1x2l n ASN 34 Ca 0.02 -0.75 -0.30 0.00 -0.11 0.00 0.00 54.58 53.44 1x2l n ASN 34 Cb 0.41 -3.72 -0.07 0.00 1.24 0.00 0.00 39.78 37.64 1x2l n ASN 34 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1x2l s ILE 35 N -3.26 4.20 0.09 -1.44 1.01 0.57 -5.00 121.20 117.37 1x2l s ILE 35 Ca 0.27 -0.96 -0.27 0.00 0.00 0.00 0.00 60.65 59.69 1x2l s ILE 35 Cb -0.09 -3.03 -0.06 0.00 0.01 0.00 0.00 42.46 39.29 1x2l s ILE 35 CO 0.83 0.08 0.84 -0.83 0.00 0.00 0.00 174.94 175.86 1x2l s GLY 36 N -2.46 2.89 0.35 6.18 0.00 -1.26 -4.67 107.32 108.36 1x2l s GLY 36 Ca 0.27 0.41 0.08 0.00 0.00 0.00 0.00 44.72 45.49 1x2l s GLY 36 CO 0.20 1.21 1.87 1.46 0.00 0.00 0.00 173.10 177.83 1x2l h GLN 37 N 5.45 0.69 0.23 2.90 4.20 -1.98 -1.99 115.11 124.61 1x2l h GLN 37 Ca -0.44 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.23 1x2l h GLN 37 Cb 1.21 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 1x2l h GLN 37 CO 0.71 0.46 -0.29 -0.09 -0.67 0.00 0.00 178.83 178.95 1x2l h ARG 38 N 0.71 -0.51 -0.48 1.46 2.43 -1.93 -0.49 114.38 115.57 1x2l h ARG 38 Ca 0.45 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.75 1x2l h ARG 38 Cb 0.71 0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 30.30 1x2l h ARG 38 CO -0.21 -0.34 0.04 0.28 -1.51 0.00 0.00 179.97 178.23 1x2l h VAL 39 N -0.53 0.67 -0.51 0.20 2.07 -1.89 0.36 116.25 116.61 1x2l h VAL 39 Ca -0.03 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.50 1x2l h VAL 39 Cb 0.47 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 1x2l h VAL 39 CO -0.07 0.03 0.19 0.15 0.02 0.00 0.00 177.57 177.90 1x2l h PHE 40 N 0.16 0.34 -0.07 1.57 3.57 -1.25 -0.68 116.94 120.57 1x2l h PHE 40 Ca 0.24 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.59 1x2l h PHE 40 Cb 0.35 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1x2l h PHE 40 CO -0.27 0.11 -0.72 0.78 -2.23 0.00 0.00 178.31 175.99 1x2l h GLY 41 N 0.38 0.41 1.80 2.40 0.00 -0.37 0.55 103.07 108.24 1x2l h GLY 41 Ca 0.25 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 1x2l h GLY 41 CO -0.24 0.52 -0.29 0.84 0.00 0.00 0.00 176.54 177.37 1x2l h HIS 42 N 0.26 0.26 0.00 5.60 -0.00 0.38 0.53 115.15 122.18 1x2l h HIS 42 Ca -0.03 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.29 1x2l h HIS 42 Cb 1.29 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.63 1x2l h HIS 42 CO 0.04 0.51 0.00 0.66 -0.00 0.00 0.00 177.93 179.14 1x2l n TYR 43 N -4.13 0.00 -0.19 5.26 4.02 -0.33 -4.13 117.16 117.65 1x2l n TYR 43 Ca -0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.81 1x2l n TYR 43 Cb 0.39 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.73 1x2l n TYR 43 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1x2l h VAL 44 N 0.00 1.19 0.02 -0.72 2.07 -1.09 -3.26 116.25 114.46 1x2l h VAL 44 Ca 0.00 -0.49 -0.36 0.00 0.82 0.00 0.00 66.70 66.68 1x2l h VAL 44 Cb 0.00 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 1x2l h VAL 44 CO 0.00 0.20 -2.20 0.18 0.02 0.00 0.00 177.57 175.77 1x2l n LEU 45 N -4.60 1.18 -0.02 2.57 4.77 -1.13 -4.86 117.00 114.91 1x2l n LEU 45 Ca 0.03 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1x2l n LEU 45 Cb 0.09 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1x2l n LEU 45 CO 0.37 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 1x2l n GLY 46 N 1.84 0.47 3.35 -0.72 0.00 0.16 -4.75 105.19 105.55 1x2l n GLY 46 Ca -0.32 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.03 2.51 0.93 0.99 1.43 0.36 -4.96 118.68 119.90 1x2l s LEU 47 Ca 0.00 -0.95 -0.10 0.00 -1.03 0.00 0.00 54.13 52.05 1x2l s LEU 47 Cb 0.00 -0.80 0.15 0.00 0.03 0.00 0.00 46.19 45.58 1x2l s LEU 47 CO 0.00 -0.08 1.14 -0.55 0.23 0.00 0.00 176.35 177.09 1x2l s SER 48 N -3.04 2.80 0.11 2.29 0.15 -1.26 -3.61 113.70 111.14 1x2l s SER 48 Ca 0.20 2.16 -0.29 0.00 0.70 0.00 0.00 55.95 58.72 1x2l s SER 48 Cb -0.04 -2.56 -0.10 0.00 -1.71 0.00 0.00 66.02 61.62 1x2l s SER 48 CO 0.08 -3.18 1.62 1.56 1.20 0.00 0.00 173.24 174.52 1x2l h GLN 49 N -1.92 -0.57 -0.02 5.44 7.50 -1.94 -1.78 115.11 121.81 1x2l h GLN 49 Ca -0.44 0.04 -0.08 0.00 0.50 0.00 0.00 58.65 58.67 1x2l h GLN 49 Cb 1.27 0.13 -0.01 0.00 0.05 0.00 0.00 27.48 28.92 1x2l h GLN 49 CO 0.42 -0.38 -0.35 0.78 -1.50 0.00 0.00 178.83 177.80 1x2l h GLY 50 N -0.59 0.05 0.90 3.46 0.00 -1.98 -2.38 103.07 102.53 1x2l h GLY 50 Ca 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 1x2l h GLY 50 CO -0.15 0.03 -0.39 1.76 0.00 0.00 0.00 176.54 177.79 1x2l h SER 51 N 0.04 -0.96 -0.28 0.19 0.02 -1.69 -0.53 113.55 110.34 1x2l h SER 51 Ca 0.00 0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 60.90 1x2l h SER 51 Cb 0.64 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 1x2l h SER 51 CO 0.05 -0.63 -0.15 -0.37 -1.14 0.00 0.00 176.83 174.59 1x2l h VAL 52 N -1.01 1.26 -0.10 2.27 -1.51 -1.42 -2.75 116.25 112.99 1x2l h VAL 52 Ca -0.09 -1.21 -0.03 0.00 -1.23 0.00 0.00 66.70 64.15 1x2l h VAL 52 Cb 0.80 1.13 -0.01 0.00 -2.13 0.00 0.00 31.29 31.08 1x2l h VAL 52 CO 0.11 0.40 -0.06 -1.28 -1.23 0.00 0.00 177.57 175.52 1x2l h SER 53 N 0.64 0.14 -0.04 4.19 0.87 -1.30 0.80 113.55 118.85 1x2l h SER 53 Ca 0.10 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1x2l h SER 53 Cb 0.62 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1x2l h SER 53 CO 0.04 0.22 0.02 -0.08 -0.53 0.00 0.00 176.83 176.50 1x2l h GLU 54 N 0.15 0.04 -0.70 2.24 4.57 -0.87 -1.73 114.58 118.27 1x2l h GLU 54 Ca 0.03 -0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.29 1x2l h GLU 54 Cb 0.20 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.72 1x2l h GLU 54 CO 0.01 0.02 0.37 0.82 -1.18 0.00 0.00 179.01 179.05 1x2l h ILE 55 N 0.04 0.89 0.00 2.32 2.04 -0.62 0.16 117.51 122.34 1x2l h ILE 55 Ca 0.01 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1x2l h ILE 55 Cb 0.00 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1x2l h ILE 55 CO -0.01 0.12 0.00 0.18 0.00 0.00 0.00 178.15 178.44 1x2l n LEU 56 N -4.83 0.63 -0.07 1.44 4.77 -0.32 -2.35 117.00 116.27 1x2l n LEU 56 Ca 0.10 0.56 -0.07 0.00 -0.03 0.00 0.00 56.01 56.57 1x2l n LEU 56 Cb 0.24 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 1x2l n LEU 56 CO 0.26 -0.17 -0.33 0.00 -1.33 0.00 0.00 177.39 175.83 1x2l h ALA 57 N 2.61 0.05 -2.78 -1.18 0.00 -0.23 -3.44 119.26 114.27 1x2l h ALA 57 Ca 0.00 -0.58 -0.61 0.00 0.00 0.00 0.00 54.91 53.72 1x2l h ALA 57 Cb 0.66 0.49 -0.41 0.00 0.00 0.00 0.00 17.79 18.53 1x2l h ALA 57 CO 0.00 0.48 -0.67 0.54 0.00 0.00 0.00 179.25 179.60 1x2l n ARG 58 N -4.60 1.57 -2.17 0.00 1.74 0.44 -5.04 116.66 108.60 1x2l n ARG 58 Ca -0.11 -4.22 -0.34 0.00 -0.77 0.00 0.00 57.85 52.42 1x2l n ARG 58 Cb 0.31 -2.12 -0.04 0.00 -1.02 0.00 0.00 32.46 29.59 1x2l n ARG 58 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1x2l s PRO 59 N -1.31 2.80 1.03 5.56 0.04 -0.99 -4.66 135.00 137.47 1x2l s PRO 59 Ca 0.29 -0.16 -0.12 0.00 0.04 0.00 0.00 61.00 61.05 1x2l s PRO 59 Cb 0.01 -4.84 0.21 0.00 0.04 0.00 0.00 34.50 29.92 1x2l s PRO 59 CO -0.15 -2.90 1.08 0.15 0.04 0.00 0.00 177.00 175.22 1x2l s LYS 60 N 6.58 0.13 0.41 4.56 1.02 -1.26 -4.47 119.74 126.72 1x2l s LYS 60 Ca 0.62 1.01 -0.26 0.00 0.02 0.00 0.00 55.97 57.37 1x2l s LYS 60 Cb -0.07 -1.66 -0.10 0.00 -0.52 0.00 0.00 37.83 35.47 1x2l s LYS 60 CO 0.05 -3.07 1.24 -2.30 -0.92 0.00 0.00 175.35 170.36 1x2l n PRO 61 N -4.48 1.87 -0.17 -1.68 -0.02 -1.26 -4.74 135.00 124.52 1x2l n PRO 61 Ca 0.06 0.67 -0.02 0.00 -2.02 0.00 0.00 63.50 62.19 1x2l n PRO 61 Cb 0.54 -2.33 0.07 0.00 -0.02 0.00 0.00 33.50 31.76 1x2l n PRO 61 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1x2l h TRP 62 N 2.06 0.17 -0.01 6.00 2.91 -1.92 0.11 115.95 125.27 1x2l h TRP 62 Ca -0.47 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.58 1x2l h TRP 62 Cb 1.30 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.95 1x2l h TRP 62 CO 0.48 -0.01 0.11 0.07 -1.03 0.00 0.00 178.44 178.06 1x2l h ARG 63 N 0.24 0.00 0.00 2.65 -0.00 -1.93 -1.43 114.38 113.92 1x2l h ARG 63 Ca 0.26 0.00 -0.11 0.00 -0.00 0.00 0.00 59.98 60.13 1x2l h ARG 63 Cb 0.35 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.31 1x2l h ARG 63 CO -0.34 0.00 -0.88 0.87 -0.00 0.00 0.00 179.97 179.62 1x2l h LYS 64 N 0.00 0.00 -7.18 0.08 1.79 -1.14 -3.47 116.57 106.66 1x2l h LYS 64 Ca 0.00 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 58.01 1x2l h LYS 64 Cb 0.23 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 30.95 1x2l h LYS 64 CO -0.00 0.32 0.18 -0.51 -1.08 0.00 0.00 179.45 178.37 1x2l s LEU 65 N -6.05 3.06 0.00 2.94 1.43 -0.54 -5.00 118.68 114.52 1x2l s LEU 65 Ca 0.01 0.55 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 1x2l s LEU 65 Cb 0.08 -3.31 -0.00 0.00 0.03 0.00 0.00 46.19 42.99 1x2l s LEU 65 CO 0.77 -1.30 0.03 0.35 0.23 0.00 0.00 176.35 176.43 1x2l n THR 66 N -2.71 0.00 -0.26 5.49 -2.24 -1.26 -4.89 114.28 108.41 1x2l n THR 66 Ca 0.06 -0.56 -0.07 0.00 -2.27 0.00 0.00 64.05 61.21 1x2l n THR 66 Cb 0.59 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 1x2l n THR 66 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1x2l h VAL 67 N 1.15 0.06 0.00 2.28 2.07 -1.99 0.43 116.25 120.25 1x2l h VAL 67 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1x2l h VAL 67 Cb 0.29 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1x2l h VAL 67 CO 0.13 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.83 1x2l h LYS 68 N -0.16 0.00 -0.16 1.57 1.79 -1.99 0.19 116.57 117.81 1x2l h LYS 68 Ca 0.21 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.52 1x2l h LYS 68 Cb 0.55 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.21 1x2l h LYS 68 CO -0.77 0.00 -0.53 0.78 -1.08 0.00 0.00 179.45 177.85 1x2l h GLY 69 N 3.20 0.70 1.42 3.86 0.00 -1.02 -3.37 103.07 107.86 1x2l h GLY 69 Ca 0.00 -0.92 -0.16 0.00 0.00 0.00 0.00 47.33 46.25 1x2l h GLY 69 CO 0.00 0.82 -1.09 0.50 0.00 0.00 0.00 176.54 176.78 1x2l h LYS 70 N 0.30 0.00 -0.81 4.80 1.57 0.31 -3.39 116.57 119.35 1x2l h LYS 70 Ca -0.02 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.86 1x2l h LYS 70 Cb 1.16 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.34 1x2l h LYS 70 CO 0.11 0.43 -0.48 0.93 -0.57 0.00 0.00 179.45 179.87 1x2l h GLU 71 N 0.00 -0.10 -0.02 3.15 4.39 -0.81 0.17 114.58 121.36 1x2l h GLU 71 Ca -0.10 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1x2l h GLU 71 Cb 1.56 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.23 1x2l h GLU 71 CO 0.06 -0.07 0.01 -1.00 -1.16 0.00 0.00 179.01 176.85 1x2l h PRO 72 N -0.11 0.03 -0.96 2.33 0.13 -1.80 -2.48 132.00 129.14 1x2l h PRO 72 Ca 0.21 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 65.40 1x2l h PRO 72 Cb 0.53 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.59 1x2l h PRO 72 CO -0.84 0.18 0.62 0.74 -0.23 0.00 0.00 178.00 178.47 1x2l h PHE 73 N -0.12 1.13 0.38 1.56 0.04 -1.38 0.20 116.94 118.76 1x2l h PHE 73 Ca 0.01 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 1x2l h PHE 73 Cb 0.15 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 37.92 1x2l h PHE 73 CO -0.02 0.58 -0.29 0.82 -0.60 0.00 0.00 178.31 178.80 1x2l h ILE 74 N 1.11 0.40 -0.51 -0.55 2.04 -0.64 0.13 117.51 119.48 1x2l h ILE 74 Ca 0.42 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.29 1x2l h ILE 74 Cb 0.20 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1x2l h ILE 74 CO -0.16 0.00 0.33 0.11 0.00 0.00 0.00 178.15 178.42 1x2l h LYS 75 N -0.67 0.64 -0.10 2.37 1.57 -0.86 -1.48 116.57 118.04 1x2l h LYS 75 Ca -0.03 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1x2l h LYS 75 Cb 0.58 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1x2l h LYS 75 CO -0.00 0.42 -0.03 0.52 -0.57 0.00 0.00 179.45 179.79 1x2l h MET 76 N 0.66 -0.01 -0.60 3.15 2.86 -0.50 -0.41 114.93 120.08 1x2l h MET 76 Ca 0.19 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1x2l h MET 76 Cb -0.04 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1x2l h MET 76 CO -0.06 -0.01 0.39 -0.22 1.06 0.00 0.00 176.91 178.08 1x2l h LYS 77 N -0.01 0.78 0.00 1.72 3.64 -0.20 -0.35 116.57 122.15 1x2l h LYS 77 Ca 0.05 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.27 1x2l h LYS 77 Cb 0.09 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1x2l h LYS 77 CO -0.11 0.51 -0.56 1.96 -2.27 0.00 0.00 179.45 178.99 1x2l h GLN 78 N 0.80 0.00 0.31 1.90 4.20 -1.14 -1.98 115.11 119.20 1x2l h GLN 78 Ca 0.22 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 1x2l h GLN 78 Cb -0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1x2l h GLN 78 CO -0.06 0.56 -0.15 0.35 -0.67 0.00 0.00 178.83 178.86 1x2l h PHE 79 N 0.00 -0.38 0.00 2.96 3.04 -0.65 -3.17 116.94 118.74 1x2l h PHE 79 Ca -0.01 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 1x2l h PHE 79 Cb 1.12 0.13 -0.00 0.00 2.56 0.00 0.00 35.95 39.75 1x2l h PHE 79 CO 0.00 -0.21 -0.06 -0.07 -2.02 0.00 0.00 178.31 175.95 1x2l h LEU 80 N -0.46 0.00 -2.44 0.59 3.38 -0.69 -2.14 115.31 113.55 1x2l h LEU 80 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1x2l h LEU 80 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1x2l h LEU 80 CO 0.07 0.06 -0.02 0.28 0.09 0.00 0.00 178.44 178.91 1x2l h SER 81 N 0.00 0.00 -2.88 -0.43 0.02 -1.34 -3.41 113.55 105.51 1x2l h SER 81 Ca -0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 1x2l h SER 81 Cb 0.29 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 62.47 1x2l h SER 81 CO 0.01 0.02 -0.63 -0.62 -1.14 0.00 0.00 176.83 174.47 1x2l s ASP 82 N -5.57 1.07 0.54 3.07 2.15 -0.80 -5.03 116.67 112.09 1x2l s ASP 82 Ca -0.03 0.09 0.36 0.00 0.43 0.00 0.00 52.55 53.39 1x2l s ASP 82 Cb 0.13 0.30 1.80 0.00 -0.30 0.00 0.00 42.92 44.85 1x2l s ASP 82 CO 0.48 -0.28 2.08 -0.08 -0.17 0.00 0.00 175.17 177.21 1x2l h GLU 83 N 8.35 0.00 0.00 4.34 4.57 -1.81 -2.17 114.58 127.86 1x2l h GLU 83 Ca -0.15 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 1x2l h GLU 83 Cb 1.13 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1x2l h GLU 83 CO 0.20 0.00 -0.03 1.96 -1.18 0.00 0.00 179.01 179.96 1x2l h GLN 84 N 0.00 0.00 0.22 1.92 1.08 -1.96 -2.05 115.11 114.32 1x2l h GLN 84 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1x2l h GLN 84 Cb 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1x2l h GLN 84 CO 0.00 0.03 -0.10 -0.91 -0.95 0.00 0.00 178.83 176.89 1x2l h ASN 85 N 0.00 -0.25 -0.46 1.46 2.35 -1.64 -2.31 115.58 114.73 1x2l h ASN 85 Ca -0.00 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.51 1x2l h ASN 85 Cb 0.25 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1x2l h ASN 85 CO 0.00 0.13 0.27 1.62 -1.65 0.00 0.00 177.43 177.81 1x2l h VAL 86 N -0.66 1.15 -0.34 2.81 3.04 -1.68 -2.20 116.25 118.38 1x2l h VAL 86 Ca -0.03 -0.36 -0.06 0.00 -1.01 0.00 0.00 66.70 65.24 1x2l h VAL 86 Cb 0.47 0.49 -0.02 0.00 -2.01 0.00 0.00 31.29 30.22 1x2l h VAL 86 CO 0.05 0.16 -0.04 -0.07 -1.01 0.00 0.00 177.57 176.66 1x2l h LEU 87 N 0.67 0.51 -0.46 3.16 3.38 -1.31 -1.25 115.31 120.01 1x2l h LEU 87 Ca 0.17 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1x2l h LEU 87 Cb 0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1x2l h LEU 87 CO -0.03 0.61 -0.22 0.00 0.09 0.00 0.00 178.44 178.89 1x2l h ALA 88 N 1.45 0.64 0.00 1.53 0.00 -0.86 -3.00 119.26 119.03 1x2l h ALA 88 Ca 0.10 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1x2l h ALA 88 Cb 0.39 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1x2l h ALA 88 CO 0.02 0.63 -0.12 -0.07 0.00 0.00 0.00 179.25 179.71 1x2l h LEU 89 N 0.80 0.00 0.09 0.00 -0.00 -0.72 -1.73 115.31 113.75 1x2l h LEU 89 Ca 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1x2l h LEU 89 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.46 1x2l h LEU 89 CO 0.07 0.12 -0.04 0.03 -0.00 0.00 0.00 178.44 178.61 1x2l h ARG 90 N 0.00 -0.12 -0.72 1.13 3.08 -1.12 -1.36 114.38 115.28 1x2l h ARG 90 Ca -0.00 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.21 1x2l h ARG 90 Cb 0.29 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.26 1x2l h ARG 90 CO 0.02 -0.07 0.19 1.15 -1.07 0.00 0.00 179.97 180.19 1x2l h THR 91 N -0.13 0.56 -0.21 2.04 2.02 -1.36 -0.30 112.91 115.52 1x2l h THR 91 Ca -0.01 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.01 1x2l h THR 91 Cb 0.10 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1x2l h THR 91 CO 0.02 0.05 -0.10 0.40 0.37 0.00 0.00 175.52 176.26 1x2l h ILE 92 N 0.30 1.19 -0.62 3.11 2.04 -1.22 -1.76 117.51 120.55 1x2l h ILE 92 Ca 0.40 -0.83 -0.08 0.00 1.00 0.00 0.00 64.86 65.35 1x2l h ILE 92 Cb 0.65 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1x2l h ILE 92 CO -0.47 0.27 0.08 -0.61 0.00 0.00 0.00 178.15 177.41 1x2l h GLN 93 N 0.33 1.04 -0.45 2.37 5.75 0.08 -1.94 115.11 122.28 1x2l h GLN 93 Ca 0.07 -0.29 -0.07 0.00 -0.15 0.00 0.00 58.65 58.20 1x2l h GLN 93 Cb 0.39 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 1x2l h GLN 93 CO 0.02 0.98 -0.01 -0.39 -2.65 0.00 0.00 178.83 176.79 1x2l h VAL 94 N 0.95 1.24 -0.16 2.39 -1.51 -0.96 -1.18 116.25 117.01 1x2l h VAL 94 Ca 0.19 -0.99 -0.09 0.00 -1.23 0.00 0.00 66.70 64.58 1x2l h VAL 94 Cb 0.46 0.90 -0.05 0.00 -2.13 0.00 0.00 31.29 30.47 1x2l h VAL 94 CO 0.02 0.35 0.12 0.54 -1.23 0.00 0.00 177.57 177.36 1x2l n ARG 95 N -4.22 1.23 0.00 5.19 1.74 -0.71 -3.02 116.66 116.86 1x2l n ARG 95 Ca 0.02 -0.51 0.00 0.00 -0.77 0.00 0.00 57.85 56.60 1x2l n ARG 95 Cb 0.30 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 1x2l n ARG 95 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1x2l n SER 96 N 0.50 3.25 0.00 0.55 2.88 -0.45 -4.92 113.62 115.43 1x2l n SER 96 Ca 0.10 -0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1x2l n SER 96 Cb 0.64 0.87 0.00 0.00 -0.75 0.00 0.00 64.21 64.98 1x2l n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x2l n GLY 97 N 1.85 -2.32 3.55 0.46 0.00 -1.17 -5.07 105.19 102.49 1x2l n GLY 97 Ca 0.00 -1.40 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.89 2.62 0.17 1.61 0.04 -1.26 -4.63 135.00 131.66 1x2l s PRO 98 Ca 0.00 0.60 -0.24 0.00 0.04 0.00 0.00 61.00 61.39 1x2l s PRO 98 Cb 0.00 -4.41 0.06 0.00 0.04 0.00 0.00 34.50 30.19 1x2l s PRO 98 CO 0.00 -2.76 0.89 -1.12 0.04 0.00 0.00 177.00 174.05 1x2l s SER 99 N 8.15 -0.23 -0.43 6.66 0.01 -1.26 -5.10 113.70 121.50 1x2l s SER 99 Ca 0.68 -0.39 -0.19 0.00 1.31 0.00 0.00 55.95 57.36 1x2l s SER 99 Cb -0.13 0.53 0.02 0.00 0.21 0.00 0.00 66.02 66.66 1x2l s SER 99 CO 0.20 -0.97 0.59 -0.24 0.41 0.00 0.00 173.24 173.23 1x2l n SER 100 N -0.44 -7.65 0.00 2.44 2.88 -1.26 -4.52 113.62 105.06 1x2l n SER 100 Ca -0.06 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 1x2l n SER 100 Cb 0.61 -4.91 0.00 0.00 -0.75 0.00 0.00 64.21 59.16 1x2l n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42