#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2l n SER 2 N 0.00 -0.06 -4.20 1.61 2.88 -1.26 -5.18 113.62 107.41 1x2l n SER 2 Ca 0.00 -1.11 -0.12 0.00 -1.33 0.00 0.00 58.87 56.31 1x2l n SER 2 Cb 0.00 0.11 -0.10 0.00 -0.75 0.00 0.00 64.21 63.47 1x2l n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x2l s SER 3 N -1.12 1.23 -0.20 -3.46 0.15 -1.26 -5.18 113.70 103.86 1x2l s SER 3 Ca 0.02 -1.07 -0.18 0.00 0.70 0.00 0.00 55.95 55.42 1x2l s SER 3 Cb 0.00 0.09 0.05 0.00 -1.71 0.00 0.00 66.02 64.46 1x2l s SER 3 CO 0.01 -0.49 0.53 -0.83 1.20 0.00 0.00 173.24 173.67 1x2l s GLY 4 N -3.10 -0.40 -0.45 9.45 0.00 -1.26 -5.13 107.32 106.42 1x2l s GLY 4 Ca 0.17 1.52 0.06 0.00 0.00 0.00 0.00 44.72 46.46 1x2l s GLY 4 CO -0.01 1.32 0.55 -1.35 0.00 0.00 0.00 173.10 173.61 1x2l s SER 5 N 0.32 -0.18 0.17 1.64 1.04 -1.26 -5.12 113.70 110.32 1x2l s SER 5 Ca -0.00 -2.01 -0.13 0.00 0.48 0.00 0.00 55.95 54.29 1x2l s SER 5 Cb -0.04 1.00 0.01 0.00 0.10 0.00 0.00 66.02 67.09 1x2l s SER 5 CO 0.00 -0.13 0.39 -0.44 0.98 0.00 0.00 173.24 174.04 1x2l s SER 6 N 0.82 -0.10 -0.29 7.02 0.01 -1.26 -5.18 113.70 114.72 1x2l s SER 6 Ca 0.27 -0.66 -0.20 0.00 1.31 0.00 0.00 55.95 56.67 1x2l s SER 6 Cb -0.02 0.50 0.16 0.00 0.21 0.00 0.00 66.02 66.86 1x2l s SER 6 CO -0.09 -0.95 1.14 -0.83 0.41 0.00 0.00 173.24 172.91 1x2l s GLY 7 N -2.91 0.14 0.16 3.44 0.00 -1.26 -5.20 107.32 101.69 1x2l s GLY 7 Ca 0.12 3.20 -0.25 0.00 0.00 0.00 0.00 44.72 47.80 1x2l s GLY 7 CO -0.02 2.27 0.91 0.00 0.00 0.00 0.00 173.10 176.25 1x2l s ALA 8 N 0.69 -1.60 0.10 3.20 0.00 -1.26 -5.19 121.76 117.70 1x2l s ALA 8 Ca -0.02 0.15 -0.26 0.00 0.00 0.00 0.00 51.96 51.83 1x2l s ALA 8 Cb -0.04 0.66 0.08 0.00 0.00 0.00 0.00 23.12 23.81 1x2l s ALA 8 CO -0.12 -1.00 0.87 0.20 0.00 0.00 0.00 175.76 175.71 1x2l s GLY 9 N -2.89 -0.36 0.58 0.00 0.00 -1.26 -4.75 107.32 98.64 1x2l s GLY 9 Ca 0.11 0.48 -0.18 0.00 0.00 0.00 0.00 44.72 45.13 1x2l s GLY 9 CO 0.02 0.14 1.14 2.56 0.00 0.00 0.00 173.10 176.95 1x2l s PRO 10 N -3.32 3.17 -0.36 2.90 0.04 -1.26 -4.95 135.00 131.22 1x2l s PRO 10 Ca 0.08 1.59 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 1x2l s PRO 10 Cb -0.02 -1.98 0.23 0.00 0.04 0.00 0.00 34.50 32.77 1x2l s PRO 10 CO -0.04 -0.99 2.07 0.41 0.04 0.00 0.00 177.00 178.49 1x2l n GLY 11 N 0.06 4.28 3.23 0.56 0.00 -1.26 -4.81 105.19 107.26 1x2l n GLY 11 Ca 0.12 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.00 1.32 -1.80 4.61 0.00 -1.26 -5.07 121.76 117.56 1x2l s ALA 12 Ca 0.36 -1.71 0.06 0.00 0.00 0.00 0.00 51.96 50.66 1x2l s ALA 12 Cb 0.28 1.14 0.31 0.00 0.00 0.00 0.00 23.12 24.85 1x2l s ALA 12 CO -0.02 -0.51 0.88 -0.85 0.00 0.00 0.00 175.76 175.26 1x2l n GLU 13 N -0.30 0.14 -3.79 0.00 0.28 -1.26 -4.34 120.64 111.37 1x2l n GLU 13 Ca -0.00 0.08 -0.30 0.00 -0.16 0.00 0.00 57.16 56.78 1x2l n GLU 13 Cb 0.66 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 31.87 1x2l n GLU 13 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1x2l s GLU 14 N -2.20 0.92 0.35 3.44 2.12 -1.26 -5.13 118.70 116.94 1x2l s GLU 14 Ca 0.07 -0.99 0.00 0.00 0.36 0.00 0.00 54.97 54.41 1x2l s GLU 14 Cb 0.04 -2.21 0.00 0.00 0.26 0.00 0.00 34.13 32.22 1x2l s GLU 14 CO 0.07 -0.85 0.02 -0.85 -0.54 0.00 0.00 175.26 173.11 1x2l n GLU 15 N 4.81 1.15 -2.70 4.30 0.28 -1.26 -4.72 120.64 122.50 1x2l n GLU 15 Ca -0.05 -2.51 -0.42 0.00 -0.16 0.00 0.00 57.16 54.02 1x2l n GLU 15 Cb 0.43 0.65 -0.03 0.00 1.43 0.00 0.00 31.44 33.92 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 -3.26 3.52 0.28 3.44 -0.21 -1.26 -5.00 119.66 117.17 1x2l s GLN 16 Ca 0.01 -1.22 -0.29 0.00 0.02 0.00 0.00 55.36 53.88 1x2l s GLN 16 Cb -0.00 -5.03 -0.09 0.00 1.00 0.00 0.00 33.01 28.88 1x2l s GLN 16 CO 0.01 -2.04 1.06 -0.51 -2.12 0.00 0.00 175.29 171.69 1x2l s LEU 17 N 4.25 4.55 -0.64 2.90 1.43 -1.26 -4.97 118.68 124.94 1x2l s LEU 17 Ca 0.39 2.17 -0.28 0.00 -1.03 0.00 0.00 54.13 55.39 1x2l s LEU 17 Cb -0.03 -3.67 0.02 0.00 0.03 0.00 0.00 46.19 42.54 1x2l s LEU 17 CO -0.06 -0.09 1.32 -1.81 0.23 0.00 0.00 176.35 175.94 1x2l s ASP 18 N -1.01 6.19 0.10 2.29 1.01 -1.26 -4.67 116.67 119.33 1x2l s ASP 18 Ca 0.45 -0.05 -0.18 0.00 0.71 0.00 0.00 52.55 53.47 1x2l s ASP 18 Cb -0.30 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.02 1x2l s ASP 18 CO 0.38 -1.73 1.61 0.71 0.21 0.00 0.00 175.17 176.35 1x2l h THR 19 N 6.20 1.20 0.00 -1.27 1.35 -1.89 0.42 112.91 118.93 1x2l h THR 19 Ca -0.27 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 1x2l h THR 19 Cb 1.07 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1x2l h THR 19 CO 1.22 0.22 0.00 0.00 -0.25 0.00 0.00 175.52 176.71 1x2l h ALA 20 N 0.92 1.00 0.00 6.62 0.00 -1.91 0.89 119.26 126.77 1x2l h ALA 20 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1x2l h ALA 20 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1x2l h ALA 20 CO -0.00 0.00 -0.00 1.49 0.00 0.00 0.00 179.25 180.74 1x2l h GLU 21 N 0.00 -0.00 -0.78 0.00 4.81 -1.87 -3.01 114.58 113.73 1x2l h GLU 21 Ca 0.00 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.37 1x2l h GLU 21 Cb 0.42 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.70 1x2l h GLU 21 CO 0.00 0.32 0.33 0.82 -0.73 0.00 0.00 179.01 179.75 1x2l h ILE 22 N -1.00 0.67 0.05 2.32 2.04 -0.53 0.20 117.51 121.26 1x2l h ILE 22 Ca -0.00 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1x2l h ILE 22 Cb 0.33 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1x2l h ILE 22 CO 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 178.15 178.15 1x2l h ALA 23 N 1.55 -0.71 -0.57 1.87 0.00 -1.00 -1.77 119.26 118.64 1x2l h ALA 23 Ca 0.43 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.40 1x2l h ALA 23 Cb 0.64 0.45 -0.11 0.00 0.00 0.00 0.00 17.79 18.77 1x2l h ALA 23 CO -0.39 -0.73 -0.43 0.35 0.00 0.00 0.00 179.25 178.05 1x2l h PHE 24 N -0.15 -1.26 -0.73 0.00 3.57 -1.02 -0.12 116.94 117.23 1x2l h PHE 24 Ca -0.01 0.08 0.09 0.00 3.53 0.00 0.00 57.97 61.67 1x2l h PHE 24 Cb 0.14 0.63 -0.07 0.00 2.79 0.00 0.00 35.95 39.44 1x2l h PHE 24 CO -0.23 -0.42 0.38 1.96 -2.23 0.00 0.00 178.31 177.76 1x2l h GLN 25 N -0.23 0.62 -0.10 1.11 1.08 -0.71 0.04 115.11 116.92 1x2l h GLN 25 Ca 0.18 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.32 1x2l h GLN 25 Cb 0.56 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1x2l h GLN 25 CO -0.68 0.41 -0.01 0.28 -0.95 0.00 0.00 178.83 177.88 1x2l h VAL 26 N 0.64 1.28 -0.70 -0.54 2.07 -0.55 -2.26 116.25 116.18 1x2l h VAL 26 Ca 0.36 -0.89 0.05 0.00 0.82 0.00 0.00 66.70 67.04 1x2l h VAL 26 Cb 0.37 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 1x2l h VAL 26 CO -0.26 0.25 0.42 0.11 0.02 0.00 0.00 177.57 178.10 1x2l h LYS 27 N -0.13 0.76 -0.34 1.57 1.57 0.13 0.69 116.57 120.83 1x2l h LYS 27 Ca 0.03 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1x2l h LYS 27 Cb 0.40 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1x2l h LYS 27 CO 0.01 0.50 0.04 1.05 -0.57 0.00 0.00 179.45 180.48 1x2l h GLU 28 N 0.78 0.57 -0.38 3.15 -0.00 -1.08 -1.22 114.58 116.40 1x2l h GLU 28 Ca 0.30 -0.16 0.02 0.00 -0.00 0.00 0.00 59.36 59.52 1x2l h GLU 28 Cb 0.13 -0.06 -0.03 0.00 -0.00 0.00 0.00 28.75 28.79 1x2l h GLU 28 CO -0.16 0.67 0.20 1.96 -0.00 0.00 0.00 179.01 181.68 1x2l h GLN 29 N 0.40 0.40 -0.04 1.06 1.08 -0.75 0.18 115.11 117.43 1x2l h GLN 29 Ca 0.10 -0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.29 1x2l h GLN 29 Cb 0.38 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1x2l h GLN 29 CO 0.01 0.26 -0.02 -0.07 -0.95 0.00 0.00 178.83 178.06 1x2l h LEU 30 N 0.41 -0.08 -0.67 1.46 3.38 -0.82 -1.74 115.31 117.25 1x2l h LEU 30 Ca 0.16 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.27 1x2l h LEU 30 Cb 0.04 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.75 1x2l h LEU 30 CO -0.10 -0.03 0.21 -0.07 0.09 0.00 0.00 178.44 178.54 1x2l h LEU 31 N -0.02 0.13 -1.79 1.67 -0.00 -0.80 0.33 115.31 114.83 1x2l h LEU 31 Ca 0.03 0.11 0.17 0.00 -0.00 0.00 0.00 57.88 58.18 1x2l h LEU 31 Cb 0.06 0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 40.81 1x2l h LEU 31 CO -0.06 0.06 0.48 0.50 -0.00 0.00 0.00 178.44 179.41 1x2l h LYS 32 N 0.35 0.20 0.00 1.13 3.64 0.28 -0.04 116.57 122.13 1x2l h LYS 32 Ca 0.36 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1x2l h LYS 32 Cb 0.54 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1x2l h LYS 32 CO -0.40 0.13 -0.05 0.72 -2.27 0.00 0.00 179.45 177.58 1x2l n HIS 33 N -4.42 0.00 -4.32 1.91 8.25 -1.09 -5.03 115.22 110.53 1x2l n HIS 33 Ca 0.13 -0.65 -0.37 0.00 -0.26 0.00 0.00 57.72 56.57 1x2l n HIS 33 Cb 0.62 -0.09 -0.05 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.85 -2.13 -4.72 0.41 2.85 0.80 -4.94 115.26 106.67 1x2l n ASN 34 Ca 0.07 -1.12 -0.40 0.00 -0.11 0.00 0.00 54.58 53.02 1x2l n ASN 34 Cb 0.49 -2.28 -0.04 0.00 1.24 0.00 0.00 39.78 39.19 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 -3.44 4.92 -0.34 -1.44 1.01 0.82 -4.94 121.20 117.79 1x2l s ILE 35 Ca 0.64 1.65 -0.28 0.00 0.00 0.00 0.00 60.65 62.66 1x2l s ILE 35 Cb -0.36 -4.13 0.02 0.00 0.01 0.00 0.00 42.46 38.00 1x2l s ILE 35 CO 0.97 0.26 1.04 -0.83 0.00 0.00 0.00 174.94 176.37 1x2l s GLY 36 N 0.64 1.55 0.44 6.18 0.00 -1.26 -4.68 107.32 110.19 1x2l s GLY 36 Ca 0.42 -0.17 0.32 0.00 0.00 0.00 0.00 44.72 45.29 1x2l s GLY 36 CO 0.22 2.21 1.55 -1.06 0.00 0.00 0.00 173.10 176.01 1x2l n GLN 37 N 6.88 -0.04 -0.16 2.90 6.02 -1.26 -0.50 117.38 131.23 1x2l n GLN 37 Ca 0.11 1.24 -0.03 0.00 -0.01 0.00 0.00 57.00 58.30 1x2l n GLN 37 Cb 0.47 -2.45 0.03 0.00 1.02 0.00 0.00 30.24 29.32 1x2l n GLN 37 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1x2l h ARG 38 N 0.00 -0.01 0.06 -1.09 2.43 -1.92 -1.54 114.38 112.31 1x2l h ARG 38 Ca 0.87 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 60.04 1x2l h ARG 38 Cb 2.83 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 32.38 1x2l h ARG 38 CO -0.46 -0.01 -0.04 0.28 -1.51 0.00 0.00 179.97 178.24 1x2l h VAL 39 N -0.01 0.92 -0.49 0.20 2.07 -1.18 0.20 116.25 117.96 1x2l h VAL 39 Ca 0.24 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.83 1x2l h VAL 39 Cb 0.37 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 1x2l h VAL 39 CO -0.51 0.00 0.15 0.15 0.02 0.00 0.00 177.57 177.38 1x2l h PHE 40 N -0.09 0.26 0.00 1.57 3.57 -1.65 -0.35 116.94 120.24 1x2l h PHE 40 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1x2l h PHE 40 Cb 0.08 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1x2l h PHE 40 CO -0.08 0.06 0.00 0.78 -2.23 0.00 0.00 178.31 176.84 1x2l h GLY 41 N 0.31 0.00 0.57 2.40 0.00 -0.63 0.12 103.07 105.85 1x2l h GLY 41 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.37 1x2l h GLY 41 CO -0.27 0.00 -1.78 1.57 0.00 0.00 0.00 176.54 176.06 1x2l n HIS 42 N -2.38 0.58 -0.00 5.60 -0.00 -0.00 0.21 115.22 119.22 1x2l n HIS 42 Ca 0.01 0.19 0.00 0.00 -0.00 0.00 0.00 57.72 57.93 1x2l n HIS 42 Cb 0.21 -0.98 -0.01 0.00 -0.00 0.00 0.00 29.99 29.21 1x2l n HIS 42 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1x2l n TYR 43 N -2.76 0.00 -0.10 1.57 4.01 -0.67 -3.88 117.16 115.33 1x2l n TYR 43 Ca -0.15 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.42 1x2l n TYR 43 Cb 0.89 -0.05 -0.13 0.00 -0.31 0.00 0.00 39.34 39.74 1x2l n TYR 43 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1x2l n VAL 44 N -1.76 1.51 -0.04 -0.72 0.31 0.01 -4.79 118.33 112.86 1x2l n VAL 44 Ca -0.01 -0.64 -0.04 0.00 -0.01 0.00 0.00 64.34 63.63 1x2l n VAL 44 Cb 0.25 -1.26 -0.06 0.00 -0.91 0.00 0.00 33.84 31.86 1x2l n VAL 44 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1x2l n LEU 45 N -3.18 0.22 -0.12 7.52 4.77 -1.10 -4.81 117.00 120.30 1x2l n LEU 45 Ca -0.41 -0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.55 1x2l n LEU 45 Cb 1.03 0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 42.27 1x2l n LEU 45 CO 0.32 0.23 -0.01 0.61 -1.33 0.00 0.00 177.39 177.21 1x2l n GLY 46 N 2.55 0.50 3.98 -0.72 0.00 0.13 -4.85 105.19 106.78 1x2l n GLY 46 Ca -0.13 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.35 3.57 0.98 0.99 1.43 0.30 -4.91 118.68 120.69 1x2l s LEU 47 Ca 0.00 -0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 52.46 1x2l s LEU 47 Cb 0.00 -2.46 0.18 0.00 0.03 0.00 0.00 46.19 43.94 1x2l s LEU 47 CO 0.00 -0.75 1.08 -0.44 0.23 0.00 0.00 176.35 176.47 1x2l s SER 48 N -4.30 2.67 0.13 2.29 0.01 -1.26 -4.22 113.70 109.02 1x2l s SER 48 Ca 0.53 1.48 -0.15 0.00 1.31 0.00 0.00 55.95 59.13 1x2l s SER 48 Cb -0.08 -2.16 -0.00 0.00 0.21 0.00 0.00 66.02 63.99 1x2l s SER 48 CO 0.32 -3.14 1.65 -0.61 0.41 0.00 0.00 173.24 171.86 1x2l h GLN 49 N -1.90 0.66 -0.29 12.44 -0.00 -1.92 -2.44 115.11 121.65 1x2l h GLN 49 Ca -0.53 -0.15 0.06 0.00 -0.00 0.00 0.00 58.65 58.03 1x2l h GLN 49 Cb 1.30 -0.09 -0.08 0.00 0.00 0.00 0.00 27.48 28.61 1x2l h GLN 49 CO 0.53 0.66 -0.42 0.78 0.00 0.00 0.00 178.83 180.38 1x2l h GLY 50 N 0.54 -0.61 0.02 2.39 0.00 -1.98 -1.56 103.07 101.87 1x2l h GLY 50 Ca 0.13 0.53 0.00 0.00 0.00 0.00 0.00 47.33 48.00 1x2l h GLY 50 CO -0.00 -0.20 -0.05 1.76 0.00 0.00 0.00 176.54 178.05 1x2l h SER 51 N -0.39 -0.15 -0.72 0.19 0.02 -1.88 -1.74 113.55 108.88 1x2l h SER 51 Ca 0.11 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1x2l h SER 51 Cb 0.60 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.15 1x2l h SER 51 CO -0.50 -0.06 0.48 -0.37 -1.14 0.00 0.00 176.83 175.24 1x2l h VAL 52 N -0.08 1.17 -0.93 2.27 -1.51 -1.41 -0.02 116.25 115.75 1x2l h VAL 52 Ca -0.00 -0.33 0.11 0.00 -1.23 0.00 0.00 66.70 65.25 1x2l h VAL 52 Cb 0.07 0.13 -0.07 0.00 -2.13 0.00 0.00 31.29 29.29 1x2l h VAL 52 CO -0.02 0.18 0.60 -1.28 -1.23 0.00 0.00 177.57 175.81 1x2l h SER 53 N 0.96 0.82 -0.12 4.19 0.87 -1.20 0.93 113.55 120.00 1x2l h SER 53 Ca 0.27 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1x2l h SER 53 Cb -0.09 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1x2l h SER 53 CO -0.06 0.46 0.06 -0.08 -0.53 0.00 0.00 176.83 176.68 1x2l h GLU 54 N 0.89 0.18 -0.56 2.24 4.57 -0.08 -0.78 114.58 121.04 1x2l h GLU 54 Ca 0.45 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.63 1x2l h GLU 54 Cb 0.48 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.01 1x2l h GLU 54 CO -0.21 0.23 0.37 0.82 -1.18 0.00 0.00 179.01 179.04 1x2l h ILE 55 N 0.08 1.08 0.18 2.32 2.04 -0.20 0.59 117.51 123.60 1x2l h ILE 55 Ca 0.04 -0.23 -0.31 0.00 1.00 0.00 0.00 64.86 65.37 1x2l h ILE 55 Cb 0.10 0.36 0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1x2l h ILE 55 CO -0.01 0.12 -1.42 -0.07 0.00 0.00 0.00 178.15 176.77 1x2l h LEU 56 N 0.66 0.58 -0.18 1.44 3.38 -1.00 -2.50 115.31 117.70 1x2l h LEU 56 Ca 0.22 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1x2l h LEU 56 Cb 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1x2l h LEU 56 CO -0.06 1.53 0.11 0.00 0.09 0.00 0.00 178.44 180.12 1x2l h ALA 57 N 0.38 0.23 -2.52 1.53 0.00 -0.53 -3.39 119.26 114.97 1x2l h ALA 57 Ca -0.21 -0.03 -0.59 0.00 0.00 0.00 0.00 54.91 54.07 1x2l h ALA 57 Cb 2.06 -0.07 -0.39 0.00 0.00 0.00 0.00 17.79 19.39 1x2l h ALA 57 CO 0.22 -0.27 -0.90 1.03 0.00 0.00 0.00 179.25 179.33 1x2l s ARG 58 N -6.07 1.07 -1.17 0.00 0.52 0.15 -5.04 118.95 108.40 1x2l s ARG 58 Ca -0.13 -2.15 -0.19 0.00 -0.52 0.00 0.00 55.73 52.74 1x2l s ARG 58 Cb 0.08 -1.70 -0.04 0.00 0.52 0.00 0.00 34.95 33.82 1x2l s ARG 58 CO 0.69 -1.34 1.98 -0.35 0.02 0.00 0.00 175.30 176.31 1x2l n PRO 59 N 2.94 2.30 -1.65 3.54 -0.04 -0.94 -4.55 135.00 136.60 1x2l n PRO 59 Ca 0.25 -2.49 -0.38 0.00 -0.04 0.00 0.00 63.50 60.83 1x2l n PRO 59 Cb 0.44 -3.30 0.05 0.00 -0.04 0.00 0.00 33.50 30.65 1x2l n PRO 59 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x2l n LYS 60 N 7.24 1.12 -1.96 0.54 5.02 -1.26 -4.25 118.16 124.61 1x2l n LYS 60 Ca 0.49 0.43 -0.37 0.00 -2.02 0.00 0.00 58.31 56.84 1x2l n LYS 60 Cb 0.42 -2.28 0.03 0.00 -0.02 0.00 0.00 35.03 33.18 1x2l n LYS 60 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1x2l s PRO 61 N -2.78 3.25 0.33 1.97 0.04 -1.26 -4.76 135.00 131.79 1x2l s PRO 61 Ca 0.75 2.02 0.07 0.00 0.04 0.00 0.00 61.00 63.87 1x2l s PRO 61 Cb -0.43 -2.21 0.74 0.00 0.04 0.00 0.00 34.50 32.64 1x2l s PRO 61 CO 0.48 -1.04 1.86 2.35 0.04 0.00 0.00 177.00 180.68 1x2l h TRP 62 N 1.46 0.92 0.00 0.56 2.91 -1.89 0.22 115.95 120.14 1x2l h TRP 62 Ca -0.50 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 59.51 1x2l h TRP 62 Cb 1.29 -0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 29.64 1x2l h TRP 62 CO 0.48 0.34 -0.18 0.07 -1.03 0.00 0.00 178.44 178.12 1x2l h ARG 63 N 0.78 0.00 -0.10 2.65 -0.00 -1.96 -2.12 114.38 113.63 1x2l h ARG 63 Ca 0.47 0.00 -0.21 0.00 -0.00 0.00 0.00 59.98 60.24 1x2l h ARG 63 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.63 1x2l h ARG 63 CO -0.23 0.18 -0.77 0.87 -0.00 0.00 0.00 179.97 180.01 1x2l h LYS 64 N 0.00 0.57 -7.52 0.08 1.79 -0.91 -3.47 116.57 107.12 1x2l h LYS 64 Ca -0.00 -0.48 -0.45 0.00 -2.18 0.00 0.00 60.65 57.54 1x2l h LYS 64 Cb 0.44 0.10 0.15 0.00 -1.58 0.00 0.00 32.23 31.34 1x2l h LYS 64 CO 0.02 1.11 0.28 -0.51 -1.08 0.00 0.00 179.45 179.27 1x2l s LEU 65 N -8.13 1.87 0.00 2.94 1.43 -0.80 -5.03 118.68 110.96 1x2l s LEU 65 Ca -0.08 0.82 0.02 0.00 -1.03 0.00 0.00 54.13 53.86 1x2l s LEU 65 Cb 0.09 -2.99 -0.01 0.00 0.03 0.00 0.00 46.19 43.31 1x2l s LEU 65 CO 0.87 -2.88 0.08 0.35 0.23 0.00 0.00 176.35 175.00 1x2l n THR 66 N -3.96 0.00 -0.10 5.49 -2.24 -1.26 -4.92 114.28 107.30 1x2l n THR 66 Ca 0.09 -1.50 -0.11 0.00 -2.27 0.00 0.00 64.05 60.26 1x2l n THR 66 Cb 0.59 0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 69.27 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 1.39 0.09 0.00 2.28 2.07 -1.99 0.29 116.25 120.39 1x2l h VAL 67 Ca -0.21 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 1x2l h VAL 67 Cb 0.77 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1x2l h VAL 67 CO 0.33 0.00 -0.38 0.11 0.02 0.00 0.00 177.57 177.65 1x2l h LYS 68 N -0.39 0.00 -0.83 1.57 1.79 -2.00 0.68 116.57 117.39 1x2l h LYS 68 Ca 0.11 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.60 1x2l h LYS 68 Cb 0.60 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.21 1x2l h LYS 68 CO -0.53 0.38 0.55 0.78 -1.08 0.00 0.00 179.45 179.54 1x2l h GLY 69 N 1.64 1.19 1.18 3.86 0.00 -1.65 -3.27 103.07 106.02 1x2l h GLY 69 Ca -0.00 -0.42 -0.17 0.00 0.00 0.00 0.00 47.33 46.73 1x2l h GLY 69 CO 0.05 0.39 -1.28 0.50 0.00 0.00 0.00 176.54 176.20 1x2l h LYS 70 N 1.09 0.00 -0.67 4.80 1.57 0.27 -3.39 116.57 120.23 1x2l h LYS 70 Ca 0.32 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.21 1x2l h LYS 70 Cb -0.07 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.12 1x2l h LYS 70 CO -0.09 0.36 -0.37 1.49 -0.57 0.00 0.00 179.45 180.27 1x2l h GLU 71 N 0.00 -0.14 -0.09 3.15 4.81 -0.94 0.34 114.58 121.71 1x2l h GLU 71 Ca -0.14 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1x2l h GLU 71 Cb 1.59 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 31.00 1x2l h GLU 71 CO 0.05 -0.09 0.03 -1.00 -0.73 0.00 0.00 179.01 177.27 1x2l h PRO 72 N -0.14 0.14 -0.83 0.92 0.13 -1.77 -2.76 132.00 127.70 1x2l h PRO 72 Ca 0.24 -0.03 0.06 0.00 -0.87 0.00 0.00 66.00 65.41 1x2l h PRO 72 Cb 0.56 -0.02 -0.05 0.00 0.13 0.00 0.00 31.00 31.62 1x2l h PRO 72 CO -0.74 0.30 0.54 0.74 -0.23 0.00 0.00 178.00 178.61 1x2l h PHE 73 N -0.04 0.93 0.78 1.56 0.04 -1.39 0.14 116.94 118.96 1x2l h PHE 73 Ca 0.03 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 1x2l h PHE 73 Cb 0.22 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 38.06 1x2l h PHE 73 CO -0.00 0.49 -0.48 0.82 -0.60 0.00 0.00 178.31 178.54 1x2l h ILE 74 N 0.91 0.04 -0.95 -0.55 2.04 -0.94 0.20 117.51 118.26 1x2l h ILE 74 Ca 0.36 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.33 1x2l h ILE 74 Cb 0.22 0.04 -0.08 0.00 -0.74 0.00 0.00 36.82 36.27 1x2l h ILE 74 CO -0.13 0.00 0.61 0.11 0.00 0.00 0.00 178.15 178.74 1x2l h LYS 75 N -1.18 0.89 0.04 2.37 1.57 -0.98 0.36 116.57 119.63 1x2l h LYS 75 Ca -0.10 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1x2l h LYS 75 Cb 0.94 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1x2l h LYS 75 CO 0.10 0.59 -0.02 0.52 -0.57 0.00 0.00 179.45 180.07 1x2l h MET 76 N 0.91 -0.05 -0.89 3.15 2.86 -0.60 0.21 114.93 120.52 1x2l h MET 76 Ca 0.46 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 58.14 1x2l h MET 76 Cb 0.50 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.12 1x2l h MET 76 CO -0.22 0.25 0.58 -0.22 1.06 0.00 0.00 176.91 178.35 1x2l h LYS 77 N -0.35 1.09 -0.21 1.72 3.64 -0.11 -1.69 116.57 120.66 1x2l h LYS 77 Ca -0.01 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.16 1x2l h LYS 77 Cb 0.32 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1x2l h LYS 77 CO 0.01 0.72 -0.47 1.96 -2.27 0.00 0.00 179.45 179.40 1x2l h GLN 78 N 1.13 0.54 0.20 1.90 1.08 -0.91 -1.92 115.11 117.12 1x2l h GLN 78 Ca 0.35 -0.30 0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1x2l h GLN 78 Cb -0.01 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1x2l h GLN 78 CO -0.11 0.90 -0.25 0.35 -0.95 0.00 0.00 178.83 178.76 1x2l h PHE 79 N 0.43 -0.67 0.00 2.96 3.04 -0.65 -2.56 116.94 119.49 1x2l h PHE 79 Ca 0.02 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1x2l h PHE 79 Cb 0.99 0.27 0.00 0.00 2.56 0.00 0.00 35.95 39.76 1x2l h PHE 79 CO 0.04 -0.36 0.00 -0.07 -2.02 0.00 0.00 178.31 175.90 1x2l h LEU 80 N -0.50 0.00 -0.00 0.59 3.38 -1.04 -2.24 115.31 115.49 1x2l h LEU 80 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1x2l h LEU 80 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1x2l h LEU 80 CO -0.09 0.00 0.00 -0.24 0.09 0.00 0.00 178.44 178.20 1x2l n SER 81 N -2.79 0.02 -3.51 -0.43 2.88 -0.75 -4.48 113.62 104.56 1x2l n SER 81 Ca -0.01 0.50 -0.19 0.00 -1.33 0.00 0.00 58.87 57.84 1x2l n SER 81 Cb 0.15 -0.51 -0.13 0.00 -0.75 0.00 0.00 64.21 62.97 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 -3.04 1.51 0.52 -3.46 2.15 -0.84 -5.03 116.67 108.48 1x2l s ASP 82 Ca 0.12 -0.27 0.28 0.00 0.43 0.00 0.00 52.55 53.11 1x2l s ASP 82 Cb 0.17 0.29 1.42 0.00 -0.30 0.00 0.00 42.92 44.50 1x2l s ASP 82 CO 0.47 -0.33 1.92 -0.08 -0.17 0.00 0.00 175.17 176.99 1x2l h GLU 83 N 8.33 0.04 0.00 4.34 4.57 -1.78 -0.81 114.58 129.26 1x2l h GLU 83 Ca -0.17 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1x2l h GLU 83 Cb 1.15 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1x2l h GLU 83 CO 0.28 0.02 0.00 1.96 -1.18 0.00 0.00 179.01 180.10 1x2l h GLN 84 N 0.04 0.00 0.02 1.92 1.08 -1.96 -0.69 115.11 115.52 1x2l h GLN 84 Ca 0.37 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.57 1x2l h GLN 84 Cb 1.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.84 1x2l h GLN 84 CO -0.02 0.00 -0.01 -0.91 -0.95 0.00 0.00 178.83 176.94 1x2l h ASN 85 N 0.00 -0.02 -0.51 1.46 2.35 -1.39 -0.96 115.58 116.51 1x2l h ASN 85 Ca 0.00 -0.33 -0.06 0.00 -0.55 0.00 0.00 56.30 55.36 1x2l h ASN 85 Cb 0.07 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 1x2l h ASN 85 CO 0.00 0.32 0.12 1.62 -1.65 0.00 0.00 177.43 177.84 1x2l h VAL 86 N -0.36 1.23 -0.68 2.81 3.04 -1.33 -1.43 116.25 119.53 1x2l h VAL 86 Ca -0.00 -0.87 -0.08 0.00 -1.01 0.00 0.00 66.70 64.74 1x2l h VAL 86 Cb 0.35 0.67 -0.03 0.00 -2.01 0.00 0.00 31.29 30.28 1x2l h VAL 86 CO 0.00 0.32 0.12 -0.07 -1.01 0.00 0.00 177.57 176.93 1x2l h LEU 87 N 0.84 1.07 -0.86 3.16 3.38 -1.33 -1.65 115.31 119.91 1x2l h LEU 87 Ca 0.18 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1x2l h LEU 87 Cb 0.33 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1x2l h LEU 87 CO 0.00 1.06 -0.34 0.00 0.09 0.00 0.00 178.44 179.25 1x2l h ALA 88 N 1.07 1.03 0.00 1.53 0.00 -0.95 -3.01 119.26 118.93 1x2l h ALA 88 Ca 0.21 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1x2l h ALA 88 Cb 0.43 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1x2l h ALA 88 CO 0.01 0.59 -0.34 -0.07 0.00 0.00 0.00 179.25 179.44 1x2l h LEU 89 N 0.38 0.00 -0.21 0.00 -0.00 -0.43 -2.85 115.31 112.20 1x2l h LEU 89 Ca 0.04 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.97 1x2l h LEU 89 Cb 0.77 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.39 1x2l h LEU 89 CO 0.06 0.34 -0.08 0.03 -0.00 0.00 0.00 178.44 178.80 1x2l h ARG 90 N 0.00 -0.04 -0.96 1.13 3.08 -1.19 -1.65 114.38 114.76 1x2l h ARG 90 Ca -0.00 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.19 1x2l h ARG 90 Cb 0.70 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.67 1x2l h ARG 90 CO 0.04 -0.02 0.57 1.15 -1.07 0.00 0.00 179.97 180.64 1x2l h THR 91 N -0.04 0.82 -0.05 2.04 2.02 -1.60 0.02 112.91 116.12 1x2l h THR 91 Ca 0.11 -0.29 -0.11 0.00 0.77 0.00 0.00 66.41 66.89 1x2l h THR 91 Cb 0.20 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.51 1x2l h THR 91 CO -0.24 0.15 -0.47 0.40 0.37 0.00 0.00 175.52 175.73 1x2l h ILE 92 N 0.84 1.34 -0.46 3.11 2.04 -1.31 -0.50 117.51 122.56 1x2l h ILE 92 Ca 0.50 -1.66 -0.05 0.00 1.00 0.00 0.00 64.86 64.66 1x2l h ILE 92 Cb 0.62 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 1x2l h ILE 92 CO -0.31 0.48 0.09 -0.61 0.00 0.00 0.00 178.15 177.80 1x2l h GLN 93 N 0.11 0.71 -0.06 2.37 5.75 -0.26 -2.25 115.11 121.47 1x2l h GLN 93 Ca 0.00 -0.14 -0.12 0.00 -0.15 0.00 0.00 58.65 58.25 1x2l h GLN 93 Cb 0.88 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.31 1x2l h GLN 93 CO 0.07 0.66 -0.50 -0.39 -2.65 0.00 0.00 178.83 176.02 1x2l h VAL 94 N 0.68 1.35 0.00 2.39 -1.51 -0.60 -2.28 116.25 116.29 1x2l h VAL 94 Ca 0.15 -1.72 0.00 0.00 -1.23 0.00 0.00 66.70 63.90 1x2l h VAL 94 Cb 0.29 1.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 1x2l h VAL 94 CO 0.00 0.50 0.00 0.54 -1.23 0.00 0.00 177.57 177.39 1x2l n ARG 95 N -3.95 0.84 0.13 5.19 1.74 -0.30 -4.29 116.66 116.03 1x2l n ARG 95 Ca -0.02 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.19 1x2l n ARG 95 Cb 0.53 -1.18 0.47 0.00 -1.02 0.00 0.00 32.46 31.26 1x2l n ARG 95 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1x2l h SER 96 N 0.28 0.00 -5.03 0.55 4.64 -1.24 -3.47 113.55 109.27 1x2l h SER 96 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1x2l h SER 96 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1x2l h SER 96 CO 0.00 0.00 0.25 -0.83 -0.87 0.00 0.00 176.83 175.38 1x2l s GLY 97 N -3.61 0.44 0.45 -0.77 0.00 -1.26 -5.07 107.32 97.50 1x2l s GLY 97 Ca 0.06 -0.80 0.25 0.00 0.00 0.00 0.00 44.72 44.23 1x2l s GLY 97 CO 0.47 -0.35 1.83 -0.56 0.00 0.00 0.00 173.10 174.49 1x2l h PRO 98 N 2.00 0.00 -0.08 2.90 0.13 -1.93 -3.29 132.00 131.74 1x2l h PRO 98 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1x2l h PRO 98 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1x2l h PRO 98 CO 0.41 0.19 0.00 -1.13 -0.23 0.00 0.00 178.00 177.24 1x2l n SER 99 N -3.33 0.08 -4.57 1.44 3.41 -1.26 -4.69 113.62 104.69 1x2l n SER 99 Ca 0.00 -0.97 -0.33 0.00 -0.26 0.00 0.00 58.87 57.32 1x2l n SER 99 Cb 0.43 -0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 1x2l n SER 99 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x2l s SER 100 N -1.36 5.63 0.00 4.04 0.15 -1.24 -5.13 113.70 115.80 1x2l s SER 100 Ca 0.00 -1.63 0.00 0.00 0.70 0.00 0.00 55.95 55.02 1x2l s SER 100 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1x2l s SER 100 CO 0.00 -2.40 0.00 0.61 1.20 0.00 0.00 173.24 172.65