#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 -0.61 0.39 1.61 0.15 -1.26 -5.20 113.70 108.78 1x2l s SER 2 Ca 0.00 0.89 -0.12 0.00 0.70 0.00 0.00 55.95 57.41 1x2l s SER 2 Cb 0.00 0.80 0.05 0.00 -1.71 0.00 0.00 66.02 65.15 1x2l s SER 2 CO 0.00 -0.41 0.74 -0.55 1.20 0.00 0.00 173.24 174.22 1x2l s SER 3 N -0.58 0.24 0.00 5.45 0.15 -1.26 -5.17 113.70 112.53 1x2l s SER 3 Ca -0.05 -1.28 0.00 0.00 0.70 0.00 0.00 55.95 55.33 1x2l s SER 3 Cb -0.02 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 65.12 1x2l s SER 3 CO 0.04 -1.65 0.00 0.61 1.20 0.00 0.00 173.24 173.44 1x2l n GLY 4 N -0.55 -0.36 1.95 9.45 0.00 -1.26 -5.10 105.19 109.32 1x2l n GLY 4 Ca -0.07 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1x2l n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x2l n SER 5 N -0.60 0.00 -1.09 1.61 7.64 -1.26 -5.17 113.62 114.75 1x2l n SER 5 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 1x2l n SER 5 Cb 0.00 0.23 -0.02 0.00 -1.01 0.00 0.00 64.21 63.41 1x2l n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x2l n SER 6 N -2.48 -6.50 0.00 6.43 7.64 -1.26 -5.08 113.62 112.38 1x2l n SER 6 Ca 0.00 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.62 1x2l n SER 6 Cb 0.00 -2.12 0.00 0.00 -1.01 0.00 0.00 64.21 61.08 1x2l n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x2l n GLY 7 N -2.05 2.04 2.81 0.23 0.00 -1.26 -5.17 105.19 101.80 1x2l n GLY 7 Ca 0.00 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 0.48 -0.44 4.61 0.00 -1.26 -5.10 121.76 120.05 1x2l s ALA 8 Ca 0.00 0.05 0.06 0.00 0.00 0.00 0.00 51.96 52.08 1x2l s ALA 8 Cb 0.00 -0.46 0.22 0.00 0.00 0.00 0.00 23.12 22.88 1x2l s ALA 8 CO 0.00 -0.18 0.48 0.41 0.00 0.00 0.00 175.76 176.47 1x2l n GLY 9 N 4.43 2.84 3.77 0.00 0.00 -1.26 -5.12 105.19 109.85 1x2l n GLY 9 Ca -0.20 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.89 3.97 0.13 1.61 0.04 -1.26 -5.05 135.00 133.55 1x2l s PRO 10 Ca 0.34 1.96 0.01 0.00 0.04 0.00 0.00 61.00 63.35 1x2l s PRO 10 Cb 0.11 -2.67 -0.00 0.00 0.04 0.00 0.00 34.50 31.98 1x2l s PRO 10 CO -0.13 -0.43 0.16 0.41 0.04 0.00 0.00 177.00 177.04 1x2l n GLY 11 N 0.64 3.07 0.13 0.56 0.00 -1.26 -5.10 105.19 103.23 1x2l n GLY 11 Ca 0.04 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1x2l n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x2l n ALA 12 N -2.13 0.71 -2.47 4.61 0.00 -1.26 -5.17 120.51 114.80 1x2l n ALA 12 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.16 1x2l n ALA 12 Cb 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.58 1x2l n ALA 12 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1x2l s GLU 13 N 0.00 1.78 -0.23 0.00 -1.05 -1.26 -5.09 118.70 112.86 1x2l s GLU 13 Ca 0.00 -2.04 -0.29 0.00 -0.15 0.00 0.00 54.97 52.49 1x2l s GLU 13 Cb 0.00 -0.65 -0.03 0.00 -0.44 0.00 0.00 34.13 33.01 1x2l s GLU 13 CO 0.00 -0.36 1.80 -2.00 0.95 0.00 0.00 175.26 175.65 1x2l s GLU 14 N -3.81 3.59 0.00 -4.83 2.12 -1.26 -4.94 118.70 109.57 1x2l s GLU 14 Ca 0.30 1.75 0.00 0.00 0.36 0.00 0.00 54.97 57.37 1x2l s GLU 14 Cb 0.05 -4.15 0.00 0.00 0.26 0.00 0.00 34.13 30.29 1x2l s GLU 14 CO 0.15 -1.55 0.00 -0.85 -0.54 0.00 0.00 175.26 172.46 1x2l n GLU 15 N 8.05 1.85 -3.47 4.30 0.28 -1.26 -5.12 120.64 125.27 1x2l n GLU 15 Ca 0.22 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.79 1x2l n GLU 15 Cb 0.45 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.22 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 1.78 2.97 0.07 3.44 1.11 -1.26 -5.08 119.66 122.69 1x2l s GLN 16 Ca 0.00 -1.02 -0.01 0.00 0.01 0.00 0.00 55.36 54.35 1x2l s GLN 16 Cb 0.00 -3.96 -0.04 0.00 -1.01 0.00 0.00 33.01 28.00 1x2l s GLN 16 CO 0.00 -0.74 0.24 -0.51 0.01 0.00 0.00 175.29 174.29 1x2l s LEU 17 N 1.67 4.35 -0.82 2.90 1.43 -1.26 -5.03 118.68 121.92 1x2l s LEU 17 Ca 0.05 0.32 -0.25 0.00 -1.03 0.00 0.00 54.13 53.22 1x2l s LEU 17 Cb -0.19 -3.00 0.02 0.00 0.03 0.00 0.00 46.19 43.04 1x2l s LEU 17 CO 0.10 0.15 1.53 -1.81 0.23 0.00 0.00 176.35 176.55 1x2l s ASP 18 N -2.48 5.96 0.20 2.29 1.11 -1.26 -4.60 116.67 117.89 1x2l s ASP 18 Ca 0.36 -0.63 -0.11 0.00 0.18 0.00 0.00 52.55 52.35 1x2l s ASP 18 Cb -0.13 -2.56 0.13 0.00 1.07 0.00 0.00 42.92 41.43 1x2l s ASP 18 CO 0.27 -1.96 1.82 0.71 1.18 0.00 0.00 175.17 177.19 1x2l h THR 19 N 6.58 1.21 -0.52 -1.27 1.35 -1.96 -0.19 112.91 118.11 1x2l h THR 19 Ca -0.09 -0.49 0.02 0.00 -0.55 0.00 0.00 66.41 65.30 1x2l h THR 19 Cb 1.05 0.27 -0.03 0.00 -1.73 0.00 0.00 68.15 67.71 1x2l h THR 19 CO 1.30 0.22 0.34 0.00 -0.25 0.00 0.00 175.52 177.14 1x2l h ALA 20 N 1.21 1.68 0.20 6.62 0.00 -1.84 0.10 119.26 127.22 1x2l h ALA 20 Ca 0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1x2l h ALA 20 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1x2l h ALA 20 CO -0.04 0.28 -0.09 1.49 0.00 0.00 0.00 179.25 180.88 1x2l h GLU 21 N 0.66 -0.25 -0.79 0.00 4.81 -1.73 -2.00 114.58 115.28 1x2l h GLU 21 Ca 0.20 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.53 1x2l h GLU 21 Cb -0.00 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.37 1x2l h GLU 21 CO -0.05 0.15 0.45 0.82 -0.73 0.00 0.00 179.01 179.65 1x2l h ILE 22 N -0.80 0.95 0.27 2.32 2.04 -0.77 0.19 117.51 121.71 1x2l h ILE 22 Ca -0.03 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1x2l h ILE 22 Cb 0.52 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1x2l h ILE 22 CO 0.04 0.14 -0.32 0.00 0.00 0.00 0.00 178.15 178.02 1x2l h ALA 23 N 1.42 -0.64 0.23 1.87 0.00 -0.84 -0.88 119.26 120.43 1x2l h ALA 23 Ca 0.37 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1x2l h ALA 23 Cb 0.28 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1x2l h ALA 23 CO -0.22 -0.90 -0.38 0.35 0.00 0.00 0.00 179.25 178.10 1x2l h PHE 24 N -0.63 -1.08 -0.82 0.00 3.57 -0.55 -2.77 116.94 114.65 1x2l h PHE 24 Ca -0.01 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.63 1x2l h PHE 24 Cb 0.59 0.44 -0.06 0.00 2.79 0.00 0.00 35.95 39.72 1x2l h PHE 24 CO -0.21 -0.47 0.53 1.96 -2.23 0.00 0.00 178.31 177.89 1x2l h GLN 25 N -0.65 0.68 -0.18 1.11 1.08 -0.60 0.87 115.11 117.41 1x2l h GLN 25 Ca -0.03 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1x2l h GLN 25 Cb 0.60 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 1x2l h GLN 25 CO -0.13 0.45 0.06 0.28 -0.95 0.00 0.00 178.83 178.54 1x2l h VAL 26 N 0.70 1.18 -0.84 -0.54 2.07 -1.14 -0.21 116.25 117.48 1x2l h VAL 26 Ca 0.39 -0.57 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1x2l h VAL 26 Cb 0.55 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 1x2l h VAL 26 CO -0.16 0.18 0.55 0.11 0.02 0.00 0.00 177.57 178.27 1x2l h LYS 27 N 0.12 0.96 0.78 1.57 1.57 -0.59 0.01 116.57 120.99 1x2l h LYS 27 Ca 0.06 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1x2l h LYS 27 Cb 0.22 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1x2l h LYS 27 CO -0.00 0.63 -0.38 0.93 -0.57 0.00 0.00 179.45 180.07 1x2l h GLU 28 N 0.99 -1.01 -0.38 3.15 4.39 -0.96 -0.22 114.58 120.53 1x2l h GLU 28 Ca 0.35 0.07 -0.02 0.00 0.34 0.00 0.00 59.36 60.10 1x2l h GLU 28 Cb 0.12 0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1x2l h GLU 28 CO -0.11 -0.66 0.16 1.96 -1.16 0.00 0.00 179.01 179.19 1x2l h GLN 29 N -1.11 0.54 -0.09 2.33 1.08 -0.64 0.22 115.11 117.44 1x2l h GLN 29 Ca -0.11 -0.06 -0.16 0.00 -1.45 0.00 0.00 58.65 56.87 1x2l h GLN 29 Cb 0.82 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.13 1x2l h GLN 29 CO 0.18 0.44 -0.62 -0.07 -0.95 0.00 0.00 178.83 177.81 1x2l h LEU 30 N 0.54 0.38 -0.85 1.46 3.38 -1.01 -2.81 115.31 116.39 1x2l h LEU 30 Ca 0.13 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1x2l h LEU 30 Cb 0.10 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1x2l h LEU 30 CO -0.01 0.90 -0.00 -0.07 0.09 0.00 0.00 178.44 179.34 1x2l h LEU 31 N 0.24 0.82 -1.37 1.67 3.38 0.46 0.29 115.31 120.81 1x2l h LEU 31 Ca -0.01 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.80 1x2l h LEU 31 Cb 1.14 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 1x2l h LEU 31 CO 0.10 0.89 0.47 0.50 0.09 0.00 0.00 178.44 180.49 1x2l h LYS 32 N 0.79 0.77 0.00 1.13 3.64 -0.37 -1.99 116.57 120.55 1x2l h LYS 32 Ca 0.15 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1x2l h LYS 32 Cb 0.48 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1x2l h LYS 32 CO 0.02 0.51 -0.03 0.72 -2.27 0.00 0.00 179.45 178.41 1x2l n HIS 33 N -4.47 0.00 -3.42 1.91 8.25 -1.25 -5.05 115.22 111.19 1x2l n HIS 33 Ca 0.10 -0.48 -0.31 0.00 -0.26 0.00 0.00 57.72 56.76 1x2l n HIS 33 Cb 0.17 -0.06 0.03 0.00 1.12 0.00 0.00 29.99 31.25 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 -0.56 -5.90 -4.49 0.41 4.13 -0.75 -5.00 115.26 103.11 1x2l n ASN 34 Ca 0.03 -0.14 -0.28 0.00 1.68 0.00 0.00 54.58 55.87 1x2l n ASN 34 Cb 0.39 -2.39 -0.11 0.00 -1.54 0.00 0.00 39.78 36.13 1x2l n ASN 34 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1x2l s ILE 35 N -1.89 2.78 0.17 2.41 1.01 0.98 -5.01 121.20 121.64 1x2l s ILE 35 Ca 0.31 -1.65 -0.05 0.00 0.00 0.00 0.00 60.65 59.25 1x2l s ILE 35 Cb -0.04 -2.30 -0.06 0.00 0.01 0.00 0.00 42.46 40.07 1x2l s ILE 35 CO 0.86 0.02 0.41 -0.83 0.00 0.00 0.00 174.94 175.40 1x2l s GLY 36 N -2.37 2.15 0.31 6.18 0.00 -1.26 -4.55 107.32 107.78 1x2l s GLY 36 Ca 0.20 -0.56 0.01 0.00 0.00 0.00 0.00 44.72 44.37 1x2l s GLY 36 CO 0.11 -0.48 1.93 1.46 0.00 0.00 0.00 173.10 176.12 1x2l h GLN 37 N 2.58 0.95 0.61 2.90 4.20 -1.98 -2.21 115.11 122.16 1x2l h GLN 37 Ca -0.46 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.16 1x2l h GLN 37 Cb 1.17 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 1x2l h GLN 37 CO 0.71 0.63 -0.45 -0.09 -0.67 0.00 0.00 178.83 178.96 1x2l h ARG 38 N 0.98 -0.98 -0.28 1.46 2.43 -1.94 0.13 114.38 116.18 1x2l h ARG 38 Ca 0.36 0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.64 1x2l h ARG 38 Cb 0.17 0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 1x2l h ARG 38 CO -0.13 -0.65 0.02 0.28 -1.51 0.00 0.00 179.97 177.98 1x2l h VAL 39 N -1.02 0.82 -0.42 0.20 2.07 -1.96 0.17 116.25 116.11 1x2l h VAL 39 Ca -0.08 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1x2l h VAL 39 Cb 0.84 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 1x2l h VAL 39 CO 0.04 0.02 0.15 0.15 0.02 0.00 0.00 177.57 177.95 1x2l h PHE 40 N 0.11 0.28 -0.04 1.57 3.57 -1.23 -0.69 116.94 120.51 1x2l h PHE 40 Ca 0.13 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.54 1x2l h PHE 40 Cb 0.17 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1x2l h PHE 40 CO -0.20 0.11 -0.50 0.78 -2.23 0.00 0.00 178.31 176.27 1x2l h GLY 41 N 0.32 0.12 1.99 2.40 0.00 -0.45 0.14 103.07 107.61 1x2l h GLY 41 Ca 0.19 -0.13 -0.12 0.00 0.00 0.00 0.00 47.33 47.28 1x2l h GLY 41 CO -0.19 0.12 -0.55 0.84 0.00 0.00 0.00 176.54 176.75 1x2l h HIS 42 N 0.09 0.01 0.00 5.60 -0.00 0.44 0.55 115.15 121.84 1x2l h HIS 42 Ca 0.00 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.31 1x2l h HIS 42 Cb 0.92 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.32 1x2l h HIS 42 CO 0.01 0.56 -0.87 0.66 -0.00 0.00 0.00 177.93 178.29 1x2l n TYR 43 N -3.88 0.00 -0.03 5.26 4.01 -0.37 -3.89 117.16 118.26 1x2l n TYR 43 Ca -0.01 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.59 1x2l n TYR 43 Cb 0.56 -0.35 -0.09 0.00 -0.31 0.00 0.00 39.34 39.14 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 -0.58 1.43 0.00 -0.72 2.07 -0.92 -3.35 116.25 114.18 1x2l h VAL 44 Ca -0.09 -1.43 -0.30 0.00 0.82 0.00 0.00 66.70 65.70 1x2l h VAL 44 Cb 0.75 2.27 -0.05 0.00 -1.52 0.00 0.00 31.29 32.73 1x2l h VAL 44 CO -0.05 0.39 -1.89 0.18 0.02 0.00 0.00 177.57 176.22 1x2l n LEU 45 N -4.67 0.61 -0.55 2.57 4.77 -1.11 -4.88 117.00 113.74 1x2l n LEU 45 Ca -0.08 0.29 -0.07 0.00 -0.03 0.00 0.00 56.01 56.12 1x2l n LEU 45 Cb 0.35 0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.67 1x2l n LEU 45 CO 0.37 0.39 -0.07 0.61 -1.33 0.00 0.00 177.39 177.36 1x2l n GLY 46 N 1.59 0.93 3.79 -0.72 0.00 0.17 -4.79 105.19 106.16 1x2l n GLY 46 Ca -0.21 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.62 3.42 0.78 0.99 1.43 0.22 -4.93 118.68 118.96 1x2l s LEU 47 Ca 0.00 -0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 52.35 1x2l s LEU 47 Cb 0.00 -1.96 0.06 0.00 0.03 0.00 0.00 46.19 44.32 1x2l s LEU 47 CO 0.00 -0.32 1.08 -0.55 0.23 0.00 0.00 176.35 176.79 1x2l s SER 48 N -3.91 4.56 0.11 2.29 0.15 -1.26 -3.54 113.70 112.10 1x2l s SER 48 Ca 0.39 1.58 -0.21 0.00 0.70 0.00 0.00 55.95 58.41 1x2l s SER 48 Cb -0.04 -2.33 -0.07 0.00 -1.71 0.00 0.00 66.02 61.86 1x2l s SER 48 CO 0.24 -1.96 1.73 -0.61 1.20 0.00 0.00 173.24 173.84 1x2l h GLN 49 N -1.08 0.03 -0.86 5.44 -0.00 -1.91 -2.35 115.11 114.38 1x2l h GLN 49 Ca -0.46 -0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.23 1x2l h GLN 49 Cb 1.24 -0.01 -0.05 0.00 0.00 0.00 0.00 27.48 28.66 1x2l h GLN 49 CO 0.55 0.02 0.55 0.78 0.00 0.00 0.00 178.83 180.74 1x2l h GLY 50 N 0.03 1.26 0.17 2.39 0.00 -1.98 -1.87 103.07 103.08 1x2l h GLY 50 Ca 0.06 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1x2l h GLY 50 CO -0.11 0.35 -0.14 1.76 0.00 0.00 0.00 176.54 178.40 1x2l h SER 51 N 1.07 -0.39 -0.80 0.19 0.02 -1.81 -0.98 113.55 110.86 1x2l h SER 51 Ca 0.35 0.03 0.11 0.00 -0.84 0.00 0.00 61.79 61.44 1x2l h SER 51 Cb 0.02 0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.62 1x2l h SER 51 CO -0.12 -0.20 0.52 -0.37 -1.14 0.00 0.00 176.83 175.52 1x2l h VAL 52 N -0.31 0.90 0.00 2.27 -1.51 -1.40 -0.24 116.25 115.96 1x2l h VAL 52 Ca -0.02 -0.23 -0.03 0.00 -1.23 0.00 0.00 66.70 65.19 1x2l h VAL 52 Cb 0.26 0.18 -0.00 0.00 -2.13 0.00 0.00 31.29 29.60 1x2l h VAL 52 CO -0.00 0.12 -0.16 0.28 -1.23 0.00 0.00 177.57 176.58 1x2l h SER 53 N 0.66 0.00 -0.25 4.19 0.02 -1.20 0.61 113.55 117.59 1x2l h SER 53 Ca 0.38 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.28 1x2l h SER 53 Cb 0.57 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1x2l h SER 53 CO -0.15 0.16 -0.02 -0.08 -1.14 0.00 0.00 176.83 175.60 1x2l h GLU 54 N 0.00 0.46 -0.92 3.45 4.57 0.35 -1.89 114.58 120.60 1x2l h GLU 54 Ca -0.00 -0.16 -0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1x2l h GLU 54 Cb 0.57 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.08 1x2l h GLU 54 CO 0.02 0.65 0.56 0.82 -1.18 0.00 0.00 179.01 179.88 1x2l h ILE 55 N 0.23 1.25 -0.01 2.32 2.04 -0.41 0.19 117.51 123.12 1x2l h ILE 55 Ca 0.07 -0.54 -0.17 0.00 1.00 0.00 0.00 64.86 65.22 1x2l h ILE 55 Cb 0.46 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1x2l h ILE 55 CO 0.02 0.26 -0.75 -0.07 0.00 0.00 0.00 178.15 177.61 1x2l h LEU 56 N 1.26 0.14 0.02 1.44 3.38 -1.03 -2.57 115.31 117.95 1x2l h LEU 56 Ca 0.33 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1x2l h LEU 56 Cb -0.06 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1x2l h LEU 56 CO -0.06 0.84 -0.01 0.00 0.09 0.00 0.00 178.44 179.30 1x2l h ALA 57 N 1.15 -0.03 -2.40 1.53 0.00 -0.53 -3.42 119.26 115.57 1x2l h ALA 57 Ca -0.02 -0.15 -0.59 0.00 0.00 0.00 0.00 54.91 54.15 1x2l h ALA 57 Cb 1.33 0.01 -0.39 0.00 0.00 0.00 0.00 17.79 18.74 1x2l h ALA 57 CO 0.11 -0.36 -0.94 0.54 0.00 0.00 0.00 179.25 178.60 1x2l n ARG 58 N -4.96 0.53 -2.10 0.00 1.74 0.61 -5.07 116.66 107.42 1x2l n ARG 58 Ca -0.08 -3.39 -0.42 0.00 -0.77 0.00 0.00 57.85 53.19 1x2l n ARG 58 Cb 0.17 -1.70 -0.03 0.00 -1.02 0.00 0.00 32.46 29.89 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 -0.38 3.24 1.22 5.56 0.04 -0.97 -4.63 135.00 139.08 1x2l s PRO 59 Ca 0.32 1.12 -0.16 0.00 0.04 0.00 0.00 61.00 62.32 1x2l s PRO 59 Cb 0.05 -4.20 0.29 0.00 0.04 0.00 0.00 34.50 30.69 1x2l s PRO 59 CO -0.18 -1.98 1.02 0.15 0.04 0.00 0.00 177.00 176.06 1x2l s LYS 60 N 5.78 -1.33 0.44 4.56 1.02 -1.26 -4.72 119.74 124.23 1x2l s LYS 60 Ca 0.72 0.42 -0.26 0.00 0.02 0.00 0.00 55.97 56.87 1x2l s LYS 60 Cb -0.18 -1.54 -0.09 0.00 -0.52 0.00 0.00 37.83 35.50 1x2l s LYS 60 CO 0.30 -3.89 1.41 -2.30 -0.92 0.00 0.00 175.35 169.96 1x2l n PRO 61 N -4.97 2.25 -0.10 -1.68 -0.02 -1.26 -4.70 135.00 124.52 1x2l n PRO 61 Ca 0.07 0.80 -0.06 0.00 -2.02 0.00 0.00 63.50 62.30 1x2l n PRO 61 Cb 0.57 -2.60 0.01 0.00 -0.02 0.00 0.00 33.50 31.47 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 2.34 -0.04 -0.09 6.00 2.91 -1.94 -1.25 115.95 123.87 1x2l h TRP 62 Ca -0.50 0.03 0.03 0.00 1.13 0.00 0.00 58.89 59.57 1x2l h TRP 62 Cb 1.27 0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 29.99 1x2l h TRP 62 CO 0.50 -0.07 0.36 0.07 -1.03 0.00 0.00 178.44 178.27 1x2l h ARG 63 N 0.08 0.00 0.01 2.65 -0.00 -1.93 0.23 114.38 115.42 1x2l h ARG 63 Ca 0.17 0.00 -0.20 0.00 -0.00 0.00 0.00 59.98 59.95 1x2l h ARG 63 Cb 0.23 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.18 1x2l h ARG 63 CO -0.29 0.00 -0.91 0.87 -0.00 0.00 0.00 179.97 179.64 1x2l h LYS 64 N 0.00 0.07 -7.12 0.08 1.79 -1.59 -3.46 116.57 106.34 1x2l h LYS 64 Ca 0.04 -0.09 -0.50 0.00 -2.18 0.00 0.00 60.65 57.92 1x2l h LYS 64 Cb 0.77 0.03 0.08 0.00 -1.58 0.00 0.00 32.23 31.53 1x2l h LYS 64 CO -0.00 0.93 0.41 -0.51 -1.08 0.00 0.00 179.45 179.20 1x2l s LEU 65 N -7.10 3.65 0.90 2.94 1.43 0.07 -5.05 118.68 115.51 1x2l s LEU 65 Ca -0.01 2.10 -0.11 0.00 -1.03 0.00 0.00 54.13 55.09 1x2l s LEU 65 Cb 0.10 -4.57 0.19 0.00 0.03 0.00 0.00 46.19 41.95 1x2l s LEU 65 CO 0.82 -1.29 1.23 0.28 0.23 0.00 0.00 176.35 177.61 1x2l s THR 66 N -1.95 2.01 0.13 5.49 -1.32 -1.26 -4.85 115.64 113.88 1x2l s THR 66 Ca 0.71 -0.22 -0.29 0.00 -1.21 0.00 0.00 61.69 60.67 1x2l s THR 66 Cb -0.22 -2.79 -0.06 0.00 -1.51 0.00 0.00 72.50 67.93 1x2l s THR 66 CO 0.31 0.00 1.58 0.58 -2.21 0.00 0.00 174.62 174.88 1x2l h VAL 67 N -1.33 0.15 0.00 5.08 2.07 -1.98 0.81 116.25 121.04 1x2l h VAL 67 Ca -0.41 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1x2l h VAL 67 Cb 1.23 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1x2l h VAL 67 CO 0.34 0.00 0.00 0.11 0.02 0.00 0.00 177.57 178.04 1x2l h LYS 68 N -0.49 0.00 0.00 1.57 1.79 -2.00 -0.27 116.57 117.17 1x2l h LYS 68 Ca 0.08 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1x2l h LYS 68 Cb 0.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 1x2l h LYS 68 CO -0.40 0.00 -0.00 0.78 -1.08 0.00 0.00 179.45 178.75 1x2l h GLY 69 N 0.99 -0.00 2.00 3.86 0.00 -1.44 -3.28 103.07 105.20 1x2l h GLY 69 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1x2l h GLY 69 CO 0.00 -0.00 -0.41 0.50 0.00 0.00 0.00 176.54 176.63 1x2l h LYS 70 N -0.11 0.00 -0.72 4.80 1.57 0.73 -3.38 116.57 119.46 1x2l h LYS 70 Ca -0.00 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.90 1x2l h LYS 70 Cb 0.11 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.29 1x2l h LYS 70 CO 0.00 0.41 -0.38 1.49 -0.57 0.00 0.00 179.45 180.40 1x2l h GLU 71 N 0.00 -0.12 -0.16 3.15 4.81 -1.26 0.76 114.58 121.76 1x2l h GLU 71 Ca -0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1x2l h GLU 71 Cb 1.05 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1x2l h GLU 71 CO 0.05 -0.08 0.05 -1.00 -0.73 0.00 0.00 179.01 177.30 1x2l h PRO 72 N -0.12 0.25 -0.67 0.92 0.13 -1.79 -2.80 132.00 127.93 1x2l h PRO 72 Ca 0.25 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.34 1x2l h PRO 72 Cb 0.56 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.62 1x2l h PRO 72 CO -0.78 0.38 0.44 0.74 -0.23 0.00 0.00 178.00 178.55 1x2l h PHE 73 N 0.08 0.84 0.49 1.56 0.04 -1.23 0.18 116.94 118.90 1x2l h PHE 73 Ca 0.05 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 1x2l h PHE 73 Cb 0.23 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.10 1x2l h PHE 73 CO 0.00 0.52 -0.24 0.82 -0.60 0.00 0.00 178.31 178.82 1x2l h ILE 74 N 0.90 0.51 -0.54 -0.55 2.04 -0.90 0.99 117.51 119.96 1x2l h ILE 74 Ca 0.25 -0.06 0.07 0.00 1.00 0.00 0.00 64.86 66.11 1x2l h ILE 74 Cb -0.09 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 36.48 1x2l h ILE 74 CO -0.06 0.01 0.24 0.11 0.00 0.00 0.00 178.15 178.45 1x2l h LYS 75 N -0.70 0.43 0.25 2.37 1.57 -1.08 -0.08 116.57 119.34 1x2l h LYS 75 Ca -0.07 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1x2l h LYS 75 Cb 0.53 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1x2l h LYS 75 CO 0.11 0.29 -0.14 0.52 -0.57 0.00 0.00 179.45 179.66 1x2l h MET 76 N 0.45 -0.35 -1.00 3.15 2.86 -0.56 0.04 114.93 119.51 1x2l h MET 76 Ca 0.26 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.93 1x2l h MET 76 Cb 0.24 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.93 1x2l h MET 76 CO -0.22 -0.24 0.67 -0.22 1.06 0.00 0.00 176.91 177.96 1x2l h LYS 77 N -0.37 1.32 -0.07 1.72 3.64 -0.26 -0.29 116.57 122.27 1x2l h LYS 77 Ca -0.03 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.16 1x2l h LYS 77 Cb 0.30 -0.30 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1x2l h LYS 77 CO 0.04 0.88 -0.48 1.96 -2.27 0.00 0.00 179.45 179.57 1x2l h GLN 78 N 1.36 0.18 0.09 1.90 4.20 -0.88 -0.82 115.11 121.14 1x2l h GLN 78 Ca 0.37 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1x2l h GLN 78 Cb -0.16 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.63 1x2l h GLN 78 CO -0.08 0.63 -0.04 0.35 -0.67 0.00 0.00 178.83 179.02 1x2l h PHE 79 N 0.15 -0.11 0.00 2.96 3.04 -0.47 -2.41 116.94 120.10 1x2l h PHE 79 Ca 0.01 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1x2l h PHE 79 Cb 0.91 0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.46 1x2l h PHE 79 CO 0.01 0.00 0.00 1.28 -2.02 0.00 0.00 178.31 177.59 1x2l n LEU 80 N -5.10 0.00 -0.19 0.59 4.77 -0.16 -1.47 117.00 115.43 1x2l n LEU 80 Ca -0.08 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.03 1x2l n LEU 80 Cb 0.10 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.50 1x2l n LEU 80 CO 0.34 0.00 0.56 -0.24 -1.33 0.00 0.00 177.39 176.72 1x2l n SER 81 N -0.77 0.95 -3.15 -1.43 2.88 -0.34 -4.85 113.62 106.91 1x2l n SER 81 Ca 0.08 -0.77 0.04 0.00 -1.33 0.00 0.00 58.87 56.89 1x2l n SER 81 Cb 0.04 0.21 -0.01 0.00 -0.75 0.00 0.00 64.21 63.70 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 -2.64 -1.33 0.66 -3.46 2.15 -0.54 -5.04 116.67 106.46 1x2l s ASP 82 Ca 0.20 0.62 0.33 0.00 0.43 0.00 0.00 52.55 54.13 1x2l s ASP 82 Cb 0.19 2.03 1.82 0.00 -0.30 0.00 0.00 42.92 46.65 1x2l s ASP 82 CO 0.58 -0.25 2.04 -0.08 -0.17 0.00 0.00 175.17 177.29 1x2l h GLU 83 N 7.97 0.00 -0.04 4.34 4.81 -1.89 -1.39 114.58 128.39 1x2l h GLU 83 Ca -0.16 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1x2l h GLU 83 Cb 1.17 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 1x2l h GLU 83 CO 0.19 0.00 0.06 1.96 -0.73 0.00 0.00 179.01 180.49 1x2l h GLN 84 N 0.00 0.00 -0.13 1.92 1.08 -1.96 -1.11 115.11 114.91 1x2l h GLN 84 Ca 0.02 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1x2l h GLN 84 Cb 0.52 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 1x2l h GLN 84 CO -0.00 0.00 0.03 -0.91 -0.95 0.00 0.00 178.83 177.00 1x2l h ASN 85 N 0.00 0.20 -0.42 1.46 2.35 -1.52 -0.75 115.58 116.90 1x2l h ASN 85 Ca 0.02 -0.24 -0.08 0.00 -0.55 0.00 0.00 56.30 55.45 1x2l h ASN 85 Cb 0.14 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1x2l h ASN 85 CO -0.00 0.39 -0.01 1.62 -1.65 0.00 0.00 177.43 177.78 1x2l h VAL 86 N -0.01 1.25 -0.01 2.81 3.04 -1.41 -1.84 116.25 120.08 1x2l h VAL 86 Ca 0.04 -1.04 -0.06 0.00 -1.01 0.00 0.00 66.70 64.63 1x2l h VAL 86 Cb 0.27 0.89 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 1x2l h VAL 86 CO 0.00 0.37 -0.28 -0.07 -1.01 0.00 0.00 177.57 176.58 1x2l h LEU 87 N 0.76 0.01 -0.22 3.16 3.38 -1.26 -0.89 115.31 120.26 1x2l h LEU 87 Ca 0.15 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1x2l h LEU 87 Cb 0.48 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1x2l h LEU 87 CO 0.02 0.29 -0.10 0.00 0.09 0.00 0.00 178.44 178.75 1x2l h ALA 88 N 1.71 0.31 0.00 1.53 0.00 -0.76 -3.25 119.26 118.79 1x2l h ALA 88 Ca -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1x2l h ALA 88 Cb 0.51 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1x2l h ALA 88 CO 0.04 0.15 -0.13 -0.07 0.00 0.00 0.00 179.25 179.23 1x2l h LEU 89 N 0.17 0.00 -0.02 0.00 -0.00 -0.37 -2.63 115.31 112.45 1x2l h LEU 89 Ca 0.05 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.96 1x2l h LEU 89 Cb 0.59 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.21 1x2l h LEU 89 CO 0.03 0.13 -0.19 0.03 -0.00 0.00 0.00 178.44 178.44 1x2l h ARG 90 N 0.00 -0.29 -0.91 1.13 3.08 -1.28 -0.76 114.38 115.35 1x2l h ARG 90 Ca -0.00 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.17 1x2l h ARG 90 Cb 0.41 0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.45 1x2l h ARG 90 CO 0.02 -0.19 0.55 1.15 -1.07 0.00 0.00 179.97 180.42 1x2l h THR 91 N -0.30 0.92 -0.30 2.04 2.02 -1.62 -1.54 112.91 114.14 1x2l h THR 91 Ca 0.06 -0.31 -0.10 0.00 0.77 0.00 0.00 66.41 66.84 1x2l h THR 91 Cb 0.38 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1x2l h THR 91 CO -0.19 0.16 -0.25 0.40 0.37 0.00 0.00 175.52 176.01 1x2l h ILE 92 N 0.89 1.27 -0.24 3.11 2.04 -1.35 -1.74 117.51 121.49 1x2l h ILE 92 Ca 0.44 -1.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 1x2l h ILE 92 Cb 0.41 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1x2l h ILE 92 CO -0.26 0.42 0.15 -0.61 0.00 0.00 0.00 178.15 177.85 1x2l h GLN 93 N 0.51 0.32 0.00 2.37 5.75 -0.13 0.40 115.11 124.33 1x2l h GLN 93 Ca 0.07 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1x2l h GLN 93 Cb 0.70 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.18 1x2l h GLN 93 CO 0.05 0.25 0.00 -0.24 -2.65 0.00 0.00 178.83 176.24 1x2l h VAL 94 N 0.31 0.00 -0.51 2.39 3.04 -1.32 -0.58 116.25 119.57 1x2l h VAL 94 Ca 0.09 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1x2l h VAL 94 Cb 0.01 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 30.66 1x2l h VAL 94 CO -0.02 0.00 0.00 0.54 -1.01 0.00 0.00 177.57 177.08 1x2l n ARG 95 N -3.04 3.62 -1.74 4.17 1.74 -0.56 -4.97 116.66 115.87 1x2l n ARG 95 Ca -0.00 -2.43 -0.39 0.00 -0.77 0.00 0.00 57.85 54.26 1x2l n ARG 95 Cb 0.25 -1.92 0.04 0.00 -1.02 0.00 0.00 32.46 29.81 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 0.74 2.68 -2.47 0.55 2.88 0.02 -4.98 113.62 113.04 1x2l n SER 96 Ca 0.22 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1x2l n SER 96 Cb 0.86 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 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 0.76 -1.64 3.70 0.46 0.00 -1.26 -5.02 105.19 102.19 1x2l n GLY 97 Ca 0.10 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.27 1.73 0.47 1.61 0.04 -1.26 -5.06 135.00 130.25 1x2l s PRO 98 Ca 0.00 1.73 0.02 0.00 0.04 0.00 0.00 61.00 62.79 1x2l s PRO 98 Cb 0.00 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 1x2l s PRO 98 CO 0.00 -2.14 0.08 0.43 0.04 0.00 0.00 177.00 175.41 1x2l n SER 99 N -3.24 2.23 -2.21 6.66 7.64 -1.26 -5.09 113.62 118.35 1x2l n SER 99 Ca 0.13 -3.27 0.01 0.00 1.01 0.00 0.00 58.87 56.76 1x2l n SER 99 Cb 0.51 0.75 0.04 0.00 -1.01 0.00 0.00 64.21 64.50 1x2l n SER 99 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x2l n SER 100 N -1.42 0.97 0.00 6.43 3.41 -1.26 -5.34 113.62 116.41 1x2l n SER 100 Ca -0.13 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.45 1x2l n SER 100 Cb 0.65 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1x2l n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49