#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 1.23 -0.26 1.61 0.15 -1.26 -5.12 113.70 110.05 1x2l s SER 2 Ca 0.00 -0.05 -0.05 0.00 0.70 0.00 0.00 55.95 56.55 1x2l s SER 2 Cb 0.00 0.32 0.14 0.00 -1.71 0.00 0.00 66.02 64.77 1x2l s SER 2 CO 0.00 -0.30 0.51 -0.44 1.20 0.00 0.00 173.24 174.21 1x2l s SER 3 N 2.31 -0.66 1.06 5.45 0.01 -1.26 -5.17 113.70 115.44 1x2l s SER 3 Ca 0.05 0.88 -0.12 0.00 1.31 0.00 0.00 55.95 58.07 1x2l s SER 3 Cb -0.14 1.74 0.22 0.00 0.21 0.00 0.00 66.02 68.05 1x2l s SER 3 CO -0.10 -0.26 1.07 -0.83 0.41 0.00 0.00 173.24 173.54 1x2l s GLY 4 N 2.73 1.59 -0.41 3.44 0.00 -1.26 -5.02 107.32 108.40 1x2l s GLY 4 Ca 0.08 0.05 0.09 0.00 0.00 0.00 0.00 44.72 44.95 1x2l s GLY 4 CO -0.17 0.66 1.24 1.44 0.00 0.00 0.00 173.10 176.27 1x2l n SER 5 N -4.57 -1.62 -2.28 1.64 7.64 -1.26 -5.08 113.62 108.08 1x2l n SER 5 Ca 0.06 -2.80 -0.03 0.00 1.01 0.00 0.00 58.87 57.11 1x2l n SER 5 Cb 0.54 1.05 0.02 0.00 -1.01 0.00 0.00 64.21 64.81 1x2l n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x2l n SER 6 N -0.29 -0.28 -0.00 6.43 2.88 -1.26 -5.04 113.62 116.06 1x2l n SER 6 Ca 0.01 -0.91 0.00 0.00 -1.33 0.00 0.00 58.87 56.64 1x2l n SER 6 Cb 0.80 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 1x2l n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x2l n GLY 7 N 3.59 1.14 2.92 0.46 0.00 -1.26 -5.12 105.19 106.92 1x2l n GLY 7 Ca 0.01 -1.34 -0.13 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.11 -0.16 0.00 4.61 0.00 -1.26 -5.12 121.76 119.72 1x2l s ALA 8 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1x2l s ALA 8 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1x2l s ALA 8 CO 0.00 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1x2l n GLY 9 N 3.37 -1.66 3.77 0.00 0.00 -1.26 -5.17 105.19 104.25 1x2l n GLY 9 Ca -0.16 1.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 3.06 0.27 1.61 0.04 -1.26 -5.07 135.00 133.66 1x2l s PRO 10 Ca 0.00 1.47 -0.17 0.00 0.04 0.00 0.00 61.00 62.34 1x2l s PRO 10 Cb 0.00 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1x2l s PRO 10 CO 0.00 -1.05 0.62 0.20 0.04 0.00 0.00 177.00 176.81 1x2l s GLY 11 N -2.26 0.22 0.00 0.56 0.00 -1.26 -5.11 107.32 99.47 1x2l s GLY 11 Ca 0.69 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.82 1x2l s GLY 11 CO 0.35 -0.34 0.00 0.00 0.00 0.00 0.00 173.10 173.11 1x2l n ALA 12 N -0.43 0.00 -3.47 3.20 0.00 -1.26 -5.16 120.51 113.39 1x2l n ALA 12 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.20 1x2l n ALA 12 Cb 0.60 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.08 1x2l n ALA 12 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x2l n GLU 13 N 0.00 0.79 -2.30 0.00 4.71 -1.26 -5.03 120.64 117.56 1x2l n GLU 13 Ca 0.00 -2.53 -0.43 0.00 -0.01 0.00 0.00 57.16 54.19 1x2l n GLU 13 Cb 0.09 0.08 -0.02 0.00 -1.01 0.00 0.00 31.44 30.58 1x2l n GLU 13 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1x2l s GLU 14 N -3.85 3.62 0.00 3.49 2.12 -1.26 -4.96 118.70 117.86 1x2l s GLU 14 Ca 0.34 1.10 0.00 0.00 0.36 0.00 0.00 54.97 56.76 1x2l s GLU 14 Cb -0.03 -4.02 0.00 0.00 0.26 0.00 0.00 34.13 30.34 1x2l s GLU 14 CO 0.21 -1.51 0.00 -0.85 -0.54 0.00 0.00 175.26 172.57 1x2l n GLU 15 N 7.97 3.12 -5.21 4.30 0.28 -1.26 -5.15 120.64 124.70 1x2l n GLU 15 Ca 0.17 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.86 1x2l n GLU 15 Cb 0.47 0.00 -0.16 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 2.60 2.34 0.04 3.44 -0.21 -1.26 -5.12 119.66 121.49 1x2l s GLN 16 Ca 0.00 -0.87 0.05 0.00 0.02 0.00 0.00 55.36 54.56 1x2l s GLN 16 Cb 0.00 -2.15 -0.02 0.00 1.00 0.00 0.00 33.01 31.83 1x2l s GLN 16 CO 0.00 0.51 -0.15 -0.51 -2.12 0.00 0.00 175.29 173.02 1x2l s LEU 17 N -0.49 2.19 -0.43 2.90 1.43 -1.26 -5.11 118.68 117.91 1x2l s LEU 17 Ca 0.06 -0.49 -0.25 0.00 -1.03 0.00 0.00 54.13 52.42 1x2l s LEU 17 Cb -0.11 -0.64 0.02 0.00 0.03 0.00 0.00 46.19 45.48 1x2l s LEU 17 CO 0.01 0.04 0.90 -1.81 0.23 0.00 0.00 176.35 175.72 1x2l s ASP 18 N -1.23 6.54 0.16 2.29 1.11 -1.26 -4.33 116.67 119.95 1x2l s ASP 18 Ca 0.02 0.25 -0.09 0.00 0.18 0.00 0.00 52.55 52.90 1x2l s ASP 18 Cb -0.08 -2.44 0.01 0.00 1.07 0.00 0.00 42.92 41.47 1x2l s ASP 18 CO 0.01 -0.96 1.52 0.71 1.18 0.00 0.00 175.17 177.63 1x2l h THR 19 N 5.98 1.27 0.00 -1.27 1.35 -1.91 -1.20 112.91 117.13 1x2l h THR 19 Ca -0.24 -1.50 -0.01 0.00 -0.55 0.00 0.00 66.41 64.11 1x2l h THR 19 Cb 1.08 1.31 -0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1x2l h THR 19 CO 1.00 0.50 -0.07 0.00 -0.25 0.00 0.00 175.52 176.70 1x2l h ALA 20 N 0.85 1.03 0.12 6.62 0.00 -1.86 0.13 119.26 126.15 1x2l h ALA 20 Ca 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1x2l h ALA 20 Cb 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1x2l h ALA 20 CO 0.08 0.09 -0.06 1.49 0.00 0.00 0.00 179.25 180.85 1x2l h GLU 21 N 0.00 -0.15 -0.71 0.00 4.57 -1.93 -1.90 114.58 114.46 1x2l h GLU 21 Ca -0.00 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.29 1x2l h GLU 21 Cb 0.52 0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 29.07 1x2l h GLU 21 CO 0.01 0.26 0.33 0.82 -1.18 0.00 0.00 179.01 179.25 1x2l h ILE 22 N -0.94 0.80 0.01 2.32 2.04 -0.90 0.27 117.51 121.11 1x2l h ILE 22 Ca -0.02 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.68 1x2l h ILE 22 Cb 0.49 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1x2l h ILE 22 CO 0.03 0.10 -0.24 0.00 0.00 0.00 0.00 178.15 178.04 1x2l h ALA 23 N 1.45 -0.32 0.19 1.87 0.00 -0.84 -0.12 119.26 121.49 1x2l h ALA 23 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1x2l h ALA 23 Cb 0.42 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1x2l h ALA 23 CO -0.30 -0.74 -0.19 0.35 0.00 0.00 0.00 179.25 178.37 1x2l h PHE 24 N -0.38 -0.51 -0.69 0.00 3.57 -0.28 -1.02 116.94 117.64 1x2l h PHE 24 Ca 0.06 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1x2l h PHE 24 Cb 0.45 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 1x2l h PHE 24 CO -0.27 -0.29 0.43 1.96 -2.23 0.00 0.00 178.31 177.91 1x2l h GLN 25 N -0.42 0.81 0.42 1.11 1.08 -0.44 0.34 115.11 118.01 1x2l h GLN 25 Ca 0.00 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.13 1x2l h GLN 25 Cb 0.39 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1x2l h GLN 25 CO -0.05 0.53 -0.20 0.28 -0.95 0.00 0.00 178.83 178.44 1x2l h VAL 26 N 0.83 0.57 -0.65 -0.54 2.07 -0.97 -1.86 116.25 115.70 1x2l h VAL 26 Ca 0.28 -0.30 0.12 0.00 0.82 0.00 0.00 66.70 67.62 1x2l h VAL 26 Cb 0.03 0.71 -0.09 0.00 -1.52 0.00 0.00 31.29 30.43 1x2l h VAL 26 CO -0.11 0.06 0.18 0.11 0.02 0.00 0.00 177.57 177.82 1x2l h LYS 27 N -0.75 0.30 -0.38 1.57 1.57 -0.49 0.51 116.57 118.91 1x2l h LYS 27 Ca -0.06 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.54 1x2l h LYS 27 Cb 0.52 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1x2l h LYS 27 CO 0.09 0.20 -0.41 1.05 -0.57 0.00 0.00 179.45 179.82 1x2l h GLU 28 N 0.31 0.94 -0.45 3.15 4.11 -0.97 -1.59 114.58 120.07 1x2l h GLU 28 Ca 0.35 -0.51 -0.06 0.00 0.07 0.00 0.00 59.36 59.21 1x2l h GLU 28 Cb 0.53 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1x2l h GLU 28 CO -0.41 1.16 0.04 1.96 0.07 0.00 0.00 179.01 181.83 1x2l h GLN 29 N 0.76 0.71 0.20 1.06 1.08 -0.48 0.34 115.11 118.79 1x2l h GLN 29 Ca 0.06 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 1x2l h GLN 29 Cb 1.01 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 1x2l h GLN 29 CO 0.10 0.70 -0.10 -0.07 -0.95 0.00 0.00 178.83 178.52 1x2l h LEU 30 N 0.68 -0.23 -1.61 1.46 3.38 -0.79 -2.69 115.31 115.50 1x2l h LEU 30 Ca 0.14 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1x2l h LEU 30 Cb 0.36 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1x2l h LEU 30 CO 0.01 -0.11 -0.21 -0.07 0.09 0.00 0.00 178.44 178.14 1x2l h LEU 31 N -0.32 0.00 -1.37 1.67 3.38 -0.93 0.26 115.31 118.00 1x2l h LEU 31 Ca -0.03 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1x2l h LEU 31 Cb 0.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1x2l h LEU 31 CO 0.04 0.21 0.46 0.50 0.09 0.00 0.00 178.44 179.75 1x2l h LYS 32 N 0.00 0.77 0.00 1.13 3.64 0.02 -2.89 116.57 119.24 1x2l h LYS 32 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1x2l h LYS 32 Cb 0.41 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1x2l h LYS 32 CO 0.03 0.51 0.00 0.72 -2.27 0.00 0.00 179.45 178.44 1x2l n HIS 33 N -4.47 0.00 -3.12 1.91 8.25 -1.13 -5.05 115.22 111.61 1x2l n HIS 33 Ca 0.10 -0.38 -0.20 0.00 -0.26 0.00 0.00 57.72 56.98 1x2l n HIS 33 Cb 0.17 -0.04 0.02 0.00 1.12 0.00 0.00 29.99 31.27 1x2l n HIS 33 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1x2l n ASN 34 N -0.38 -6.98 -4.35 0.41 3.02 -0.24 -5.01 115.26 101.73 1x2l n ASN 34 Ca 0.00 0.22 -0.27 0.00 -0.03 0.00 0.00 54.58 54.50 1x2l n ASN 34 Cb 0.23 -3.94 -0.13 0.00 -0.61 0.00 0.00 39.78 35.34 1x2l n ASN 34 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1x2l s ILE 35 N -2.22 2.06 0.01 2.41 1.01 0.77 -4.99 121.20 120.25 1x2l s ILE 35 Ca 0.28 -1.70 -0.12 0.00 0.00 0.00 0.00 60.65 59.11 1x2l s ILE 35 Cb -0.05 -1.85 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 1x2l s ILE 35 CO 0.81 0.02 0.36 -0.83 0.00 0.00 0.00 174.94 175.30 1x2l s GLY 36 N -2.06 2.38 0.44 6.18 0.00 -1.26 -4.57 107.32 108.44 1x2l s GLY 36 Ca 0.12 -0.35 0.13 0.00 0.00 0.00 0.00 44.72 44.62 1x2l s GLY 36 CO 0.06 -0.05 2.03 1.46 0.00 0.00 0.00 173.10 176.59 1x2l h GLN 37 N 4.39 0.37 0.66 2.90 4.20 -1.99 -2.13 115.11 123.51 1x2l h GLN 37 Ca -0.51 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.15 1x2l h GLN 37 Cb 1.21 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1x2l h GLN 37 CO 0.63 0.24 -0.36 -0.09 -0.67 0.00 0.00 178.83 178.58 1x2l h ARG 38 N 0.38 -0.90 -0.67 1.46 2.43 -1.94 -0.08 114.38 115.05 1x2l h ARG 38 Ca 0.20 0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.45 1x2l h ARG 38 Cb 0.32 0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 1x2l h ARG 38 CO -0.05 -0.60 0.45 0.28 -1.51 0.00 0.00 179.97 178.53 1x2l h VAL 39 N -0.94 1.14 0.39 0.20 2.07 -1.91 0.27 116.25 117.47 1x2l h VAL 39 Ca -0.09 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1x2l h VAL 39 Cb 0.73 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1x2l h VAL 39 CO 0.12 0.16 -0.19 0.15 0.02 0.00 0.00 177.57 177.83 1x2l h PHE 40 N 0.86 -0.51 0.00 1.57 3.57 -1.36 -2.87 116.94 118.21 1x2l h PHE 40 Ca 0.26 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 1x2l h PHE 40 Cb -0.03 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1x2l h PHE 40 CO -0.00 -0.31 -0.17 0.78 -2.23 0.00 0.00 178.31 176.38 1x2l h GLY 41 N -0.53 0.00 1.87 2.40 0.00 -0.16 0.10 103.07 106.75 1x2l h GLY 41 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1x2l h GLY 41 CO 0.08 0.00 -0.17 0.84 0.00 0.00 0.00 176.54 177.29 1x2l h HIS 42 N 0.00 0.00 0.00 5.60 -0.00 -0.37 0.56 115.15 120.94 1x2l h HIS 42 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1x2l h HIS 42 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.95 1x2l h HIS 42 CO 0.00 0.04 -0.82 0.66 -0.00 0.00 0.00 177.93 177.82 1x2l n TYR 43 N -3.06 -0.02 0.05 5.26 4.01 -1.09 -4.08 117.16 118.24 1x2l n TYR 43 Ca 0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.65 1x2l n TYR 43 Cb 0.55 0.02 -0.09 0.00 -0.31 0.00 0.00 39.34 39.52 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 0.00 1.06 0.00 -0.72 2.07 -1.18 -3.35 116.25 114.13 1x2l h VAL 44 Ca 0.00 -0.91 -0.29 0.00 0.82 0.00 0.00 66.70 66.32 1x2l h VAL 44 Cb 0.82 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 32.15 1x2l h VAL 44 CO 0.00 0.21 -1.91 0.18 0.02 0.00 0.00 177.57 176.07 1x2l n LEU 45 N -4.96 0.54 -0.58 2.57 4.77 -1.16 -4.93 117.00 113.24 1x2l n LEU 45 Ca -0.09 0.25 -0.08 0.00 -0.03 0.00 0.00 56.01 56.07 1x2l n LEU 45 Cb 0.24 0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 1x2l n LEU 45 CO 0.31 0.38 -0.07 0.61 -1.33 0.00 0.00 177.39 177.29 1x2l n GLY 46 N 1.59 0.95 4.00 -0.72 0.00 0.17 -4.88 105.19 106.29 1x2l n GLY 46 Ca -0.21 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.73 3.64 0.72 0.99 1.43 0.36 -4.93 118.68 119.16 1x2l s LEU 47 Ca 0.00 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 52.52 1x2l s LEU 47 Cb 0.00 -2.60 0.03 0.00 0.03 0.00 0.00 46.19 43.65 1x2l s LEU 47 CO 0.00 -0.74 1.12 -0.55 0.23 0.00 0.00 176.35 176.41 1x2l s SER 48 N -4.32 4.67 0.14 2.29 0.15 -1.26 -3.91 113.70 111.45 1x2l s SER 48 Ca 0.54 2.00 -0.20 0.00 0.70 0.00 0.00 55.95 58.99 1x2l s SER 48 Cb -0.09 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 61.69 1x2l s SER 48 CO 0.32 -1.93 1.67 -0.61 1.20 0.00 0.00 173.24 173.89 1x2l h GLN 49 N -0.49 -0.11 0.00 5.44 -0.00 -1.90 -2.17 115.11 115.88 1x2l h GLN 49 Ca -0.46 0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.18 1x2l h GLN 49 Cb 1.25 0.02 -0.00 0.00 0.00 0.00 0.00 27.48 28.75 1x2l h GLN 49 CO 0.52 -0.07 -0.08 0.78 0.00 0.00 0.00 178.83 179.98 1x2l h GLY 50 N -0.11 0.00 0.08 2.39 0.00 -1.97 -0.78 103.07 102.68 1x2l h GLY 50 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 1x2l h GLY 50 CO -0.30 0.00 -0.04 1.76 0.00 0.00 0.00 176.54 177.96 1x2l h SER 51 N 0.00 -0.09 -0.73 0.19 0.02 -1.77 -2.16 113.55 109.01 1x2l h SER 51 Ca -0.00 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.04 1x2l h SER 51 Cb 0.19 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 1x2l h SER 51 CO 0.01 -0.05 0.48 -0.37 -1.14 0.00 0.00 176.83 175.76 1x2l h VAL 52 N -0.12 0.96 -0.94 2.27 -1.51 -1.28 -0.39 116.25 115.24 1x2l h VAL 52 Ca -0.01 -0.23 -0.00 0.00 -1.23 0.00 0.00 66.70 65.22 1x2l h VAL 52 Cb 0.08 0.23 -0.05 0.00 -2.13 0.00 0.00 31.29 29.42 1x2l h VAL 52 CO 0.02 0.12 0.57 -1.28 -1.23 0.00 0.00 177.57 175.78 1x2l h SER 53 N 0.68 1.13 -0.31 4.19 0.87 -1.24 0.39 113.55 119.26 1x2l h SER 53 Ca 0.33 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.83 1x2l h SER 53 Cb 0.40 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1x2l h SER 53 CO -0.12 0.86 0.20 -0.08 -0.53 0.00 0.00 176.83 177.16 1x2l h GLU 54 N 1.30 0.40 -0.17 2.24 4.57 -0.39 -0.38 114.58 122.14 1x2l h GLU 54 Ca 0.34 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.48 1x2l h GLU 54 Cb -0.07 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 1x2l h GLU 54 CO -0.06 0.26 0.03 0.82 -1.18 0.00 0.00 179.01 178.88 1x2l h ILE 55 N 0.41 1.09 0.00 2.32 2.04 -0.50 0.12 117.51 122.98 1x2l h ILE 55 Ca 0.11 -0.31 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 1x2l h ILE 55 Cb -0.04 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1x2l h ILE 55 CO -0.03 0.11 -0.70 -0.07 0.00 0.00 0.00 178.15 177.46 1x2l h LEU 56 N 0.23 0.00 -0.01 1.44 3.38 -0.81 -2.12 115.31 117.43 1x2l h LEU 56 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1x2l h LEU 56 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1x2l h LEU 56 CO -0.00 0.27 -0.07 0.00 0.09 0.00 0.00 178.44 178.72 1x2l h ALA 57 N 1.73 0.02 -2.70 1.53 0.00 0.42 -3.41 119.26 116.85 1x2l h ALA 57 Ca -0.04 -0.38 -0.60 0.00 0.00 0.00 0.00 54.91 53.89 1x2l h ALA 57 Cb 1.24 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.63 1x2l h ALA 57 CO 0.03 -0.07 -0.82 1.03 0.00 0.00 0.00 179.25 179.42 1x2l s ARG 58 N -3.34 1.02 -0.79 0.00 0.52 0.27 -5.06 118.95 111.57 1x2l s ARG 58 Ca -0.17 -1.89 -0.25 0.00 -0.52 0.00 0.00 55.73 52.90 1x2l s ARG 58 Cb 0.00 -1.83 -0.04 0.00 0.52 0.00 0.00 34.95 33.60 1x2l s ARG 58 CO 0.70 -1.24 1.94 -1.25 0.02 0.00 0.00 175.30 175.47 1x2l s PRO 59 N 0.40 2.54 0.80 3.54 0.04 -0.80 -4.58 135.00 136.94 1x2l s PRO 59 Ca 0.22 0.07 -0.12 0.00 0.04 0.00 0.00 61.00 61.22 1x2l s PRO 59 Cb -0.16 -4.82 0.08 0.00 0.04 0.00 0.00 34.50 29.64 1x2l s PRO 59 CO -0.06 -3.20 1.13 0.15 0.04 0.00 0.00 177.00 175.07 1x2l s LYS 60 N 7.11 1.89 0.56 4.56 1.02 -1.26 -4.45 119.74 129.18 1x2l s LYS 60 Ca 0.70 1.42 -0.18 0.00 0.02 0.00 0.00 55.97 57.93 1x2l s LYS 60 Cb -0.09 -1.84 -0.05 0.00 -0.52 0.00 0.00 37.83 35.33 1x2l s LYS 60 CO 0.07 -1.95 1.08 -1.25 -0.92 0.00 0.00 175.35 172.38 1x2l s PRO 61 N -4.56 3.36 0.28 -1.68 0.04 -1.26 -4.71 135.00 126.47 1x2l s PRO 61 Ca 0.66 1.40 0.01 0.00 0.04 0.00 0.00 61.00 63.11 1x2l s PRO 61 Cb -0.21 -2.03 0.60 0.00 0.04 0.00 0.00 34.50 32.90 1x2l s PRO 61 CO 0.53 -0.80 1.78 2.35 0.04 0.00 0.00 177.00 180.90 1x2l h TRP 62 N 0.88 0.94 0.00 0.56 2.91 -1.94 0.98 115.95 120.28 1x2l h TRP 62 Ca -0.48 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.57 1x2l h TRP 62 Cb 1.24 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 29.61 1x2l h TRP 62 CO 0.55 0.25 0.00 0.07 -1.03 0.00 0.00 178.44 178.29 1x2l h ARG 63 N 0.74 0.00 0.10 2.65 -0.00 -1.91 -2.36 114.38 113.61 1x2l h ARG 63 Ca 0.50 0.00 -0.34 0.00 -0.00 0.00 0.00 59.98 60.15 1x2l h ARG 63 Cb 0.69 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.64 1x2l h ARG 63 CO -0.35 0.00 -1.85 0.87 -0.00 0.00 0.00 179.97 178.65 1x2l h LYS 64 N 0.00 0.21 -6.97 0.08 1.79 -1.16 -3.49 116.57 107.04 1x2l h LYS 64 Ca 0.00 -0.37 -0.48 0.00 -2.18 0.00 0.00 60.65 57.62 1x2l h LYS 64 Cb 0.08 0.14 0.02 0.00 -1.58 0.00 0.00 32.23 30.89 1x2l h LYS 64 CO 0.00 1.04 0.42 -0.51 -1.08 0.00 0.00 179.45 179.32 1x2l s LEU 65 N -6.84 4.12 1.09 2.94 1.43 -0.89 -5.03 118.68 115.50 1x2l s LEU 65 Ca -0.16 2.06 -0.16 0.00 -1.03 0.00 0.00 54.13 54.84 1x2l s LEU 65 Cb 0.07 -4.20 0.23 0.00 0.03 0.00 0.00 46.19 42.32 1x2l s LEU 65 CO 0.80 -0.54 1.13 0.28 0.23 0.00 0.00 176.35 178.25 1x2l s THR 66 N -1.66 1.80 0.14 5.49 -1.32 -1.26 -4.75 115.64 114.08 1x2l s THR 66 Ca 0.59 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.80 1x2l s THR 66 Cb -0.22 -2.57 -0.02 0.00 -1.51 0.00 0.00 72.50 68.18 1x2l s THR 66 CO 0.28 0.00 1.59 1.62 -2.21 0.00 0.00 174.62 175.90 1x2l h VAL 67 N -2.18 0.19 0.00 5.08 3.04 -1.98 0.16 116.25 120.56 1x2l h VAL 67 Ca -0.49 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1x2l h VAL 67 Cb 1.31 0.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1x2l h VAL 67 CO 0.45 0.00 0.00 0.29 -1.01 0.00 0.00 177.57 177.30 1x2l n LYS 68 N -5.42 0.25 0.05 4.17 5.02 -1.26 -0.86 118.16 120.10 1x2l n LYS 68 Ca -0.02 0.13 -0.22 0.00 -2.02 0.00 0.00 58.31 56.17 1x2l n LYS 68 Cb 0.35 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.71 1x2l n LYS 68 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1x2l h GLY 69 N 2.53 0.38 2.00 0.72 0.00 -1.24 -3.39 103.07 104.07 1x2l h GLY 69 Ca 0.00 -0.97 -0.11 0.00 0.00 0.00 0.00 47.33 46.25 1x2l h GLY 69 CO 0.00 0.85 -0.51 0.50 0.00 0.00 0.00 176.54 177.37 1x2l h LYS 70 N -0.07 0.00 -0.72 4.80 1.57 0.47 -3.37 116.57 119.25 1x2l h LYS 70 Ca -0.33 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.52 1x2l h LYS 70 Cb 1.95 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 34.17 1x2l h LYS 70 CO 0.13 0.51 -0.47 0.93 -0.57 0.00 0.00 179.45 179.99 1x2l h GLU 71 N 0.00 -0.05 -0.50 3.15 5.08 -1.19 0.02 114.58 121.09 1x2l h GLU 71 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1x2l h GLU 71 Cb 1.24 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1x2l h GLU 71 CO 0.07 -0.03 0.27 -1.00 -1.00 0.00 0.00 179.01 177.31 1x2l h PRO 72 N -0.05 0.69 -0.96 2.33 0.13 -1.84 -2.77 132.00 129.53 1x2l h PRO 72 Ca 0.12 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1x2l h PRO 72 Cb 0.35 -0.13 -0.05 0.00 0.13 0.00 0.00 31.00 31.30 1x2l h PRO 72 CO -0.70 0.55 0.60 0.74 -0.23 0.00 0.00 178.00 178.96 1x2l h PHE 73 N 0.66 1.25 -0.06 1.56 0.04 -1.45 0.78 116.94 119.72 1x2l h PHE 73 Ca 0.17 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.98 1x2l h PHE 73 Cb 0.06 -0.41 -0.03 0.00 2.20 0.00 0.00 35.95 37.76 1x2l h PHE 73 CO -0.02 0.82 -0.12 0.82 -0.60 0.00 0.00 178.31 179.21 1x2l h ILE 74 N 1.32 0.68 -0.32 -0.55 2.04 -0.79 0.68 117.51 120.57 1x2l h ILE 74 Ca 0.35 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.22 1x2l h ILE 74 Cb -0.08 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1x2l h ILE 74 CO -0.07 0.00 0.20 0.11 0.00 0.00 0.00 178.15 178.40 1x2l h LYS 75 N -0.18 0.40 -0.17 2.37 1.57 -1.12 -1.62 116.57 117.83 1x2l h LYS 75 Ca 0.06 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1x2l h LYS 75 Cb 0.27 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1x2l h LYS 75 CO -0.17 0.27 0.09 0.52 -0.57 0.00 0.00 179.45 179.59 1x2l h MET 76 N 0.42 0.23 -0.88 3.15 2.86 -0.58 0.22 114.93 120.36 1x2l h MET 76 Ca 0.12 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1x2l h MET 76 Cb -0.03 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.55 1x2l h MET 76 CO -0.04 0.25 0.53 -0.22 1.06 0.00 0.00 176.91 178.49 1x2l h LYS 77 N 0.16 1.18 -0.32 1.72 3.64 -0.68 -1.26 116.57 121.01 1x2l h LYS 77 Ca 0.06 -0.10 -0.11 0.00 -1.27 0.00 0.00 60.65 59.23 1x2l h LYS 77 Cb 0.09 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1x2l h LYS 77 CO -0.01 0.83 -0.24 1.96 -2.27 0.00 0.00 179.45 179.72 1x2l h GLN 78 N 1.20 0.62 -0.31 1.90 1.08 -1.11 -2.51 115.11 115.98 1x2l h GLN 78 Ca 0.31 -0.24 0.04 0.00 -1.45 0.00 0.00 58.65 57.31 1x2l h GLN 78 Cb -0.06 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.30 1x2l h GLN 78 CO -0.06 0.81 0.10 0.35 -0.95 0.00 0.00 178.83 179.08 1x2l h PHE 79 N 0.55 0.18 0.00 2.96 3.04 -0.41 -2.77 116.94 120.48 1x2l h PHE 79 Ca 0.08 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.04 1x2l h PHE 79 Cb 0.70 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.18 1x2l h PHE 79 CO 0.03 0.07 0.00 1.28 -2.02 0.00 0.00 178.31 177.67 1x2l n LEU 80 N -5.03 0.46 0.26 0.59 4.77 -0.53 -2.39 117.00 115.14 1x2l n LEU 80 Ca -0.00 0.60 0.12 0.00 -0.03 0.00 0.00 56.01 56.70 1x2l n LEU 80 Cb 0.11 -0.53 0.71 0.00 -2.33 0.00 0.00 43.42 41.38 1x2l n LEU 80 CO 0.28 -0.42 0.98 0.28 -1.33 0.00 0.00 177.39 177.17 1x2l h SER 81 N 0.00 0.00 -2.37 -1.43 0.02 -1.15 -3.42 113.55 105.19 1x2l h SER 81 Ca 0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 1x2l h SER 81 Cb 0.36 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 62.55 1x2l h SER 81 CO 0.00 0.12 -0.64 -0.62 -1.14 0.00 0.00 176.83 174.55 1x2l s ASP 82 N -6.30 1.65 0.61 3.07 2.15 -1.00 -5.03 116.67 111.82 1x2l s ASP 82 Ca -0.03 -0.51 0.35 0.00 0.43 0.00 0.00 52.55 52.78 1x2l s ASP 82 Cb 0.14 0.39 1.96 0.00 -0.30 0.00 0.00 42.92 45.11 1x2l s ASP 82 CO 0.60 -0.36 2.26 -0.08 -0.17 0.00 0.00 175.17 177.42 1x2l h GLU 83 N 8.30 0.00 0.00 4.34 4.81 -1.83 -1.59 114.58 128.61 1x2l h GLU 83 Ca -0.16 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1x2l h GLU 83 Cb 1.11 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 1x2l h GLU 83 CO 0.32 0.02 -0.00 1.96 -0.73 0.00 0.00 179.01 180.57 1x2l h GLN 84 N 0.00 0.00 -0.76 1.92 7.50 -1.96 -1.38 115.11 120.43 1x2l h GLN 84 Ca -0.00 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.12 1x2l h GLN 84 Cb 0.07 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.57 1x2l h GLN 84 CO 0.00 0.00 0.35 -0.91 -1.50 0.00 0.00 178.83 176.77 1x2l h ASN 85 N 0.00 1.00 0.21 1.46 2.35 -1.54 -0.55 115.58 118.51 1x2l h ASN 85 Ca -0.00 -0.12 -0.18 0.00 -0.55 0.00 0.00 56.30 55.44 1x2l h ASN 85 Cb 0.01 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.11 1x2l h ASN 85 CO 0.00 0.86 -0.71 1.62 -1.65 0.00 0.00 177.43 177.55 1x2l h VAL 86 N 1.09 1.37 0.00 2.81 3.04 -1.45 -2.73 116.25 120.37 1x2l h VAL 86 Ca 0.26 -2.09 -0.04 0.00 -1.01 0.00 0.00 66.70 63.82 1x2l h VAL 86 Cb 0.14 2.07 -0.01 0.00 -2.01 0.00 0.00 31.29 31.48 1x2l h VAL 86 CO -0.03 0.63 -0.19 -0.07 -1.01 0.00 0.00 177.57 176.90 1x2l h LEU 87 N 0.31 0.00 -0.02 3.16 3.38 -1.19 -1.73 115.31 119.21 1x2l h LEU 87 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1x2l h LEU 87 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1x2l h LEU 87 CO 0.12 0.19 -0.05 0.00 0.09 0.00 0.00 178.44 178.80 1x2l h ALA 88 N 1.81 0.03 0.00 1.53 0.00 -1.09 -3.36 119.26 118.18 1x2l h ALA 88 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1x2l h ALA 88 Cb 0.67 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1x2l h ALA 88 CO 0.02 -0.13 -0.04 -0.07 0.00 0.00 0.00 179.25 179.04 1x2l h LEU 89 N -0.52 0.00 -0.47 0.00 -0.00 -1.01 -1.29 115.31 112.02 1x2l h LEU 89 Ca -0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.92 1x2l h LEU 89 Cb 0.66 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.28 1x2l h LEU 89 CO 0.01 0.04 0.23 0.03 -0.00 0.00 0.00 178.44 178.75 1x2l h ARG 90 N 0.00 0.45 -0.73 1.13 3.08 -1.57 -2.05 114.38 114.68 1x2l h ARG 90 Ca -0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1x2l h ARG 90 Cb 0.07 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1x2l h ARG 90 CO 0.01 0.30 0.45 1.15 -1.07 0.00 0.00 179.97 180.80 1x2l h THR 91 N 0.46 1.20 -0.01 2.04 2.02 -1.43 -1.12 112.91 116.07 1x2l h THR 91 Ca 0.20 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 66.87 1x2l h THR 91 Cb 0.11 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1x2l h THR 91 CO -0.15 0.21 -0.41 0.40 0.37 0.00 0.00 175.52 175.94 1x2l h ILE 92 N 1.00 1.30 -0.17 3.11 2.04 -1.41 -2.55 117.51 120.83 1x2l h ILE 92 Ca 0.26 -1.42 -0.07 0.00 1.00 0.00 0.00 64.86 64.63 1x2l h ILE 92 Cb -0.06 1.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1x2l h ILE 92 CO -0.05 0.41 -0.18 -0.61 0.00 0.00 0.00 178.15 177.71 1x2l h GLN 93 N 0.03 0.42 0.00 2.37 5.75 -0.56 -2.38 115.11 120.73 1x2l h GLN 93 Ca -0.00 -0.23 -0.00 0.00 -0.15 0.00 0.00 58.65 58.27 1x2l h GLN 93 Cb 0.74 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.30 1x2l h GLN 93 CO 0.05 0.80 -0.01 -0.24 -2.65 0.00 0.00 178.83 176.78 1x2l h VAL 94 N 0.06 0.10 -0.23 2.39 3.04 -1.36 -0.45 116.25 119.81 1x2l h VAL 94 Ca 0.02 -0.20 -0.00 0.00 -1.01 0.00 0.00 66.70 65.51 1x2l h VAL 94 Cb 0.73 1.18 -0.00 0.00 -2.01 0.00 0.00 31.29 31.18 1x2l h VAL 94 CO 0.04 0.01 0.01 0.54 -1.01 0.00 0.00 177.57 177.16 1x2l n ARG 95 N -3.20 2.53 0.00 4.17 1.74 -0.92 -4.50 116.66 116.49 1x2l n ARG 95 Ca -0.02 -1.25 0.00 0.00 -0.77 0.00 0.00 57.85 55.81 1x2l n ARG 95 Cb 0.15 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 1x2l n ARG 95 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1x2l n SER 96 N 0.24 0.68 -2.90 0.55 3.41 -0.18 -4.75 113.62 110.68 1x2l n SER 96 Ca 0.11 -1.76 -0.16 0.00 -0.26 0.00 0.00 58.87 56.80 1x2l n SER 96 Cb 0.63 -0.34 -0.06 0.00 -0.26 0.00 0.00 64.21 64.18 1x2l n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x2l n GLY 97 N 0.13 2.99 2.26 5.00 0.00 -1.26 -4.93 105.19 109.37 1x2l n GLY 97 Ca 0.00 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 1x2l n GLY 97 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x2l n PRO 98 N -0.54 3.29 -1.32 1.61 -0.04 -1.26 -4.80 135.00 131.94 1x2l n PRO 98 Ca 0.06 -1.92 0.15 0.00 -0.04 0.00 0.00 63.50 61.75 1x2l n PRO 98 Cb 0.52 -2.62 -0.08 0.00 -0.04 0.00 0.00 33.50 31.28 1x2l n PRO 98 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x2l n SER 99 N 3.37 -6.78 -2.77 3.54 7.64 -1.26 -4.89 113.62 112.46 1x2l n SER 99 Ca 0.70 1.19 -0.17 0.00 1.01 0.00 0.00 58.87 61.61 1x2l n SER 99 Cb 0.37 -4.46 -0.00 0.00 -1.01 0.00 0.00 64.21 59.11 1x2l n SER 99 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x2l n SER 100 N -4.19 -4.14 0.00 6.43 7.64 -1.26 -5.07 113.62 113.02 1x2l n SER 100 Ca -0.07 -0.04 0.10 0.00 1.01 0.00 0.00 58.87 59.87 1x2l n SER 100 Cb 0.60 -3.47 0.59 0.00 -1.01 0.00 0.00 64.21 60.92 1x2l n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64