#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 -0.12 0.00 1.61 1.04 -1.26 -5.13 113.70 109.84 1x2l s SER 2 Ca 0.00 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1x2l s SER 2 Cb 0.00 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1x2l s SER 2 CO 0.00 -0.29 0.00 -1.54 0.98 0.00 0.00 173.24 172.39 1x2l n SER 3 N -0.24 0.00 -3.29 7.02 3.41 -1.26 -5.19 113.62 114.08 1x2l n SER 3 Ca -0.03 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.55 1x2l n SER 3 Cb 0.60 0.01 0.02 0.00 -0.26 0.00 0.00 64.21 64.58 1x2l n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x2l n GLY 4 N 0.07 0.59 3.70 5.00 0.00 -1.26 -5.20 105.19 108.09 1x2l n GLY 4 Ca 0.00 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 1x2l n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x2l s SER 5 N -3.42 0.13 0.89 1.61 0.01 -1.26 -5.14 113.70 106.52 1x2l s SER 5 Ca 0.23 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.42 1x2l s SER 5 Cb -0.03 0.72 0.00 0.00 0.21 0.00 0.00 66.02 66.93 1x2l s SER 5 CO 0.05 -1.41 0.00 -0.24 0.41 0.00 0.00 173.24 172.05 1x2l n SER 6 N -0.98 -2.79 0.00 2.44 2.88 -1.26 -5.05 113.62 108.86 1x2l n SER 6 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1x2l n SER 6 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 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 0.00 2.65 0.78 0.46 0.00 -1.26 -5.20 105.19 102.62 1x2l n GLY 7 Ca 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 46.02 45.37 1x2l n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x2l n ALA 8 N 0.00 0.14 -2.30 4.61 0.00 -1.26 -5.19 120.51 116.50 1x2l n ALA 8 Ca 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 53.44 52.89 1x2l n ALA 8 Cb 0.00 0.37 -0.09 0.00 0.00 0.00 0.00 19.45 19.73 1x2l n ALA 8 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x2l s GLY 9 N -1.55 0.87 0.71 0.00 0.00 -1.26 -5.19 107.32 100.90 1x2l s GLY 9 Ca 0.09 -1.33 -0.09 0.00 0.00 0.00 0.00 44.72 43.40 1x2l s GLY 9 CO 0.07 -1.22 1.06 2.56 0.00 0.00 0.00 173.10 175.56 1x2l s PRO 10 N -4.03 2.42 -0.29 2.90 0.04 -1.26 -5.11 135.00 129.67 1x2l s PRO 10 Ca 0.23 0.05 -0.15 0.00 0.04 0.00 0.00 61.00 61.17 1x2l s PRO 10 Cb 0.06 -2.10 0.12 0.00 0.04 0.00 0.00 34.50 32.62 1x2l s PRO 10 CO 0.02 -1.19 0.80 0.20 0.04 0.00 0.00 177.00 176.87 1x2l s GLY 11 N -4.46 -0.42 -0.41 0.56 0.00 -1.26 -5.11 107.32 96.22 1x2l s GLY 11 Ca 0.59 2.69 0.04 0.00 0.00 0.00 0.00 44.72 48.04 1x2l s GLY 11 CO 0.48 2.67 0.33 0.00 0.00 0.00 0.00 173.10 176.58 1x2l s ALA 12 N 1.87 1.33 0.28 3.20 0.00 -1.26 -5.11 121.76 122.08 1x2l s ALA 12 Ca -0.08 -2.39 -0.03 0.00 0.00 0.00 0.00 51.96 49.46 1x2l s ALA 12 Cb -0.06 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.45 1x2l s ALA 12 CO -0.18 -1.98 0.34 -1.83 0.00 0.00 0.00 175.76 172.11 1x2l s GLU 13 N 0.14 1.60 0.35 0.00 -1.05 -1.26 -5.12 118.70 113.36 1x2l s GLU 13 Ca 0.32 -1.66 -0.28 0.00 -0.15 0.00 0.00 54.97 53.20 1x2l s GLU 13 Cb 0.02 0.38 -0.11 0.00 -0.44 0.00 0.00 34.13 33.98 1x2l s GLU 13 CO -0.18 -0.62 1.43 -1.83 0.95 0.00 0.00 175.26 175.00 1x2l s GLU 14 N -3.65 4.20 0.35 -4.83 1.03 -1.26 -5.03 118.70 109.52 1x2l s GLU 14 Ca 0.33 2.44 0.01 0.00 0.03 0.00 0.00 54.97 57.78 1x2l s GLU 14 Cb 0.02 -3.01 -0.00 0.00 -0.80 0.00 0.00 34.13 30.34 1x2l s GLU 14 CO 0.17 -0.41 0.44 -1.83 -1.33 0.00 0.00 175.26 172.30 1x2l s GLU 15 N -1.86 1.93 0.50 -4.83 -1.05 -1.26 -5.15 118.70 106.99 1x2l s GLU 15 Ca 0.52 -1.86 -0.19 0.00 -0.15 0.00 0.00 54.97 53.28 1x2l s GLU 15 Cb -0.44 0.42 -0.08 0.00 -0.44 0.00 0.00 34.13 33.59 1x2l s GLU 15 CO 0.58 -0.79 1.04 -0.65 0.95 0.00 0.00 175.26 176.40 1x2l s GLN 16 N -3.03 3.73 0.03 -4.83 -0.21 -1.26 -5.06 119.66 109.03 1x2l s GLN 16 Ca 0.33 1.33 0.02 0.00 0.02 0.00 0.00 55.36 57.05 1x2l s GLN 16 Cb -0.00 -2.09 -0.02 0.00 1.00 0.00 0.00 33.01 31.90 1x2l s GLN 16 CO 0.23 -0.49 -0.06 -0.51 -2.12 0.00 0.00 175.29 172.34 1x2l s LEU 17 N -3.66 2.24 -0.71 2.90 1.43 -1.26 -5.09 118.68 114.53 1x2l s LEU 17 Ca 0.66 -0.52 -0.27 0.00 -1.03 0.00 0.00 54.13 52.98 1x2l s LEU 17 Cb -0.16 -0.09 0.03 0.00 0.03 0.00 0.00 46.19 46.00 1x2l s LEU 17 CO 0.23 -0.22 1.24 -1.81 0.23 0.00 0.00 176.35 176.02 1x2l s ASP 18 N -1.49 6.20 0.30 2.29 1.11 -1.26 -4.44 116.67 119.38 1x2l s ASP 18 Ca -0.11 -0.43 0.00 0.00 0.18 0.00 0.00 52.55 52.19 1x2l s ASP 18 Cb -0.10 -2.55 0.47 0.00 1.07 0.00 0.00 42.92 41.82 1x2l s ASP 18 CO -0.00 -1.76 1.87 0.71 1.18 0.00 0.00 175.17 177.17 1x2l h THR 19 N 6.04 1.21 0.00 -1.27 1.35 -1.94 -0.33 112.91 117.97 1x2l h THR 19 Ca -0.28 -0.70 -0.06 0.00 -0.55 0.00 0.00 66.41 64.83 1x2l h THR 19 Cb 1.05 0.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 1x2l h THR 19 CO 1.26 0.27 -0.28 0.00 -0.25 0.00 0.00 175.52 176.52 1x2l h ALA 20 N 1.42 1.01 0.22 6.62 0.00 -1.86 0.74 119.26 127.40 1x2l h ALA 20 Ca 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1x2l h ALA 20 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1x2l h ALA 20 CO -0.01 0.35 -0.10 1.49 0.00 0.00 0.00 179.25 180.97 1x2l h GLU 21 N 0.00 -0.28 -0.18 0.00 4.81 -1.80 -1.56 114.58 115.57 1x2l h GLU 21 Ca -0.00 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1x2l h GLU 21 Cb 0.81 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.21 1x2l h GLU 21 CO 0.04 0.08 -0.13 0.82 -0.73 0.00 0.00 179.01 179.09 1x2l h ILE 22 N -0.92 0.62 -0.33 2.32 2.04 -0.96 0.32 117.51 120.60 1x2l h ILE 22 Ca -0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.89 1x2l h ILE 22 Cb 0.49 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1x2l h ILE 22 CO 0.05 0.00 0.01 0.00 0.00 0.00 0.00 178.15 178.20 1x2l h ALA 23 N 0.99 0.30 0.52 1.87 0.00 -0.95 0.59 119.26 122.58 1x2l h ALA 23 Ca 0.11 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1x2l h ALA 23 Cb 0.30 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1x2l h ALA 23 CO -0.26 -0.40 -0.44 0.35 0.00 0.00 0.00 179.25 178.50 1x2l h PHE 24 N 0.10 -1.19 -1.00 0.00 3.57 -0.43 -1.68 116.94 116.31 1x2l h PHE 24 Ca 0.16 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.82 1x2l h PHE 24 Cb 0.21 0.45 -0.10 0.00 2.79 0.00 0.00 35.95 39.31 1x2l h PHE 24 CO -0.23 -0.60 0.62 1.96 -2.23 0.00 0.00 178.31 177.83 1x2l h GLN 25 N -0.94 0.84 0.14 1.11 1.08 -0.15 0.21 115.11 117.40 1x2l h GLN 25 Ca -0.07 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 1x2l h GLN 25 Cb 0.79 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 1x2l h GLN 25 CO -0.01 0.56 -0.07 0.28 -0.95 0.00 0.00 178.83 178.64 1x2l h VAL 26 N 0.87 0.96 -0.99 -0.54 2.07 -0.84 -0.33 116.25 117.44 1x2l h VAL 26 Ca 0.54 -0.43 0.15 0.00 0.82 0.00 0.00 66.70 67.77 1x2l h VAL 26 Cb 0.71 1.23 -0.09 0.00 -1.52 0.00 0.00 31.29 31.62 1x2l h VAL 26 CO -0.32 0.10 0.62 0.11 0.02 0.00 0.00 177.57 178.10 1x2l h LYS 27 N -0.40 0.84 0.91 1.57 1.57 0.16 -0.12 116.57 121.10 1x2l h LYS 27 Ca -0.02 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1x2l h LYS 27 Cb 0.32 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.44 1x2l h LYS 27 CO 0.03 0.56 -0.44 0.93 -0.57 0.00 0.00 179.45 179.96 1x2l h GLU 28 N 0.87 -1.17 -0.55 3.15 4.39 -0.49 -1.18 114.58 119.60 1x2l h GLU 28 Ca 0.52 0.08 -0.03 0.00 0.34 0.00 0.00 59.36 60.28 1x2l h GLU 28 Cb 0.68 0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 1x2l h GLU 28 CO -0.30 -0.78 0.24 1.96 -1.16 0.00 0.00 179.01 178.97 1x2l h GLN 29 N -1.26 0.79 0.12 2.33 1.08 -0.68 0.34 115.11 117.83 1x2l h GLN 29 Ca -0.12 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 56.96 1x2l h GLN 29 Cb 0.94 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 1x2l h GLN 29 CO 0.20 0.64 -0.06 -0.07 -0.95 0.00 0.00 178.83 178.59 1x2l h LEU 30 N 0.78 -0.14 -1.07 1.46 3.38 -1.04 -2.87 115.31 115.82 1x2l h LEU 30 Ca 0.19 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 58.05 1x2l h LEU 30 Cb 0.13 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 1x2l h LEU 30 CO -0.02 0.13 0.62 -0.07 0.09 0.00 0.00 178.44 179.19 1x2l h LEU 31 N -0.42 0.92 -0.40 1.67 3.38 -0.54 0.30 115.31 120.23 1x2l h LEU 31 Ca -0.02 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1x2l h LEU 31 Cb 0.34 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 1x2l h LEU 31 CO 0.03 0.54 -0.14 0.50 0.09 0.00 0.00 178.44 179.46 1x2l h LYS 32 N 1.02 -0.05 -0.53 1.13 3.64 -0.15 -1.55 116.57 120.08 1x2l h LYS 32 Ca 0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1x2l h LYS 32 Cb 0.36 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1x2l h LYS 32 CO -0.21 -0.03 0.00 0.72 -2.27 0.00 0.00 179.45 177.66 1x2l n HIS 33 N -5.34 1.00 -4.08 1.91 8.25 -1.08 -4.98 115.22 110.90 1x2l n HIS 33 Ca 0.02 -0.58 -0.42 0.00 -0.26 0.00 0.00 57.72 56.48 1x2l n HIS 33 Cb 0.25 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 0.86 -3.16 -4.92 0.41 5.15 0.18 -5.00 115.26 108.78 1x2l n ASN 34 Ca 0.21 -1.21 -0.27 0.00 -0.60 0.00 0.00 54.58 52.71 1x2l n ASN 34 Cb 0.69 -1.45 -0.02 0.00 -0.53 0.00 0.00 39.78 38.46 1x2l n ASN 34 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1x2l s ILE 35 N -3.73 5.06 0.10 -1.44 1.01 0.82 -4.97 121.20 118.05 1x2l s ILE 35 Ca 0.40 -0.14 -0.00 0.00 0.00 0.00 0.00 60.65 60.90 1x2l s ILE 35 Cb -0.22 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1x2l s ILE 35 CO 0.90 -0.43 0.27 -0.83 0.00 0.00 0.00 174.94 174.85 1x2l s GLY 36 N -3.52 2.08 0.30 6.18 0.00 -1.26 -4.55 107.32 106.55 1x2l s GLY 36 Ca 0.42 -0.83 0.11 0.00 0.00 0.00 0.00 44.72 44.43 1x2l s GLY 36 CO 0.33 -0.80 1.67 1.46 0.00 0.00 0.00 173.10 175.76 1x2l h GLN 37 N 2.79 0.01 0.84 2.90 4.20 -1.99 -3.16 115.11 120.69 1x2l h GLN 37 Ca -0.46 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.20 1x2l h GLN 37 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1x2l h GLN 37 CO 0.74 0.55 -0.45 -0.09 -0.67 0.00 0.00 178.83 178.91 1x2l h ARG 38 N 0.01 -1.15 -0.66 1.46 2.43 -1.96 -1.97 114.38 112.54 1x2l h ARG 38 Ca -0.01 0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1x2l h ARG 38 Cb 0.97 0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 1x2l h ARG 38 CO 0.07 -0.77 0.44 0.28 -1.51 0.00 0.00 179.97 178.48 1x2l h VAL 39 N -1.19 1.15 -0.37 0.20 2.07 -1.95 0.13 116.25 116.29 1x2l h VAL 39 Ca -0.11 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.15 1x2l h VAL 39 Cb 0.93 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1x2l h VAL 39 CO 0.16 0.16 0.11 0.15 0.02 0.00 0.00 177.57 178.16 1x2l h PHE 40 N 0.88 0.19 -0.02 1.57 3.57 -1.50 -0.06 116.94 121.57 1x2l h PHE 40 Ca 0.25 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.65 1x2l h PHE 40 Cb -0.08 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1x2l h PHE 40 CO -0.03 0.06 -0.54 0.78 -2.23 0.00 0.00 178.31 176.35 1x2l h GLY 41 N 0.25 0.05 2.00 2.40 0.00 -0.83 -0.23 103.07 106.71 1x2l h GLY 41 Ca 0.17 -0.06 -0.13 0.00 0.00 0.00 0.00 47.33 47.32 1x2l h GLY 41 CO -0.20 0.05 -0.60 0.84 0.00 0.00 0.00 176.54 176.63 1x2l h HIS 42 N 0.04 0.00 0.00 5.60 -0.00 0.09 0.48 115.15 121.36 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 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.39 1x2l h HIS 42 CO 0.00 0.60 -0.08 0.66 -0.00 0.00 0.00 177.93 179.11 1x2l n TYR 43 N -3.82 0.00 -0.21 5.26 4.02 -0.12 -3.79 117.16 118.50 1x2l n TYR 43 Ca -0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.83 1x2l n TYR 43 Cb 0.60 -0.04 0.12 0.00 -0.02 0.00 0.00 39.34 40.00 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 -0.08 1.24 0.04 -0.72 2.07 -1.23 -3.16 116.25 114.41 1x2l h VAL 44 Ca 0.00 -0.84 -0.38 0.00 0.82 0.00 0.00 66.70 66.30 1x2l h VAL 44 Cb 0.08 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 1x2l h VAL 44 CO 0.00 0.33 -2.22 0.18 0.02 0.00 0.00 177.57 175.88 1x2l n LEU 45 N -4.27 2.65 -1.37 2.57 4.77 -1.14 -4.84 117.00 115.37 1x2l n LEU 45 Ca 0.05 0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 56.02 1x2l n LEU 45 Cb 0.22 -0.98 0.01 0.00 -2.33 0.00 0.00 43.42 40.33 1x2l n LEU 45 CO 0.41 0.81 -0.06 0.61 -1.33 0.00 0.00 177.39 177.83 1x2l n GLY 46 N 1.98 0.03 3.76 -0.72 0.00 0.15 -4.87 105.19 105.53 1x2l n GLY 46 Ca -0.41 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.20 3.33 0.80 0.99 1.43 -0.28 -4.97 118.68 116.78 1x2l s LEU 47 Ca 0.08 -0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 52.35 1x2l s LEU 47 Cb -0.03 -1.83 0.07 0.00 0.03 0.00 0.00 46.19 44.42 1x2l s LEU 47 CO 0.10 -0.31 1.09 -0.55 0.23 0.00 0.00 176.35 176.90 1x2l s SER 48 N -3.88 4.31 0.16 2.29 0.15 -1.26 -3.81 113.70 111.66 1x2l s SER 48 Ca 0.38 1.68 -0.16 0.00 0.70 0.00 0.00 55.95 58.55 1x2l s SER 48 Cb -0.03 -2.39 0.04 0.00 -1.71 0.00 0.00 66.02 61.93 1x2l s SER 48 CO 0.23 -2.14 1.79 -0.61 1.20 0.00 0.00 173.24 173.72 1x2l h GLN 49 N -1.20 0.42 -0.14 5.44 -0.00 -1.91 -1.97 115.11 115.74 1x2l h GLN 49 Ca -0.45 -0.03 -0.07 0.00 -0.00 0.00 0.00 58.65 58.10 1x2l h GLN 49 Cb 1.25 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 28.62 1x2l h GLN 49 CO 0.53 0.28 -0.22 0.78 0.00 0.00 0.00 178.83 180.20 1x2l h GLY 50 N 0.43 0.27 0.43 2.39 0.00 -1.98 -1.83 103.07 102.78 1x2l h GLY 50 Ca 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1x2l h GLY 50 CO -0.09 0.17 -0.22 1.76 0.00 0.00 0.00 176.54 178.17 1x2l h SER 51 N 0.23 -0.53 -0.74 0.19 0.02 -1.73 -1.73 113.55 109.26 1x2l h SER 51 Ca 0.04 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1x2l h SER 51 Cb 0.52 0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 1x2l h SER 51 CO 0.04 -0.36 0.49 -0.37 -1.14 0.00 0.00 176.83 175.48 1x2l h VAL 52 N -0.59 1.17 -0.96 2.27 -1.51 -1.45 -1.84 116.25 113.33 1x2l h VAL 52 Ca -0.06 -0.33 0.06 0.00 -1.23 0.00 0.00 66.70 65.14 1x2l h VAL 52 Cb 0.46 0.11 -0.06 0.00 -2.13 0.00 0.00 31.29 29.66 1x2l h VAL 52 CO 0.09 0.18 0.62 -1.28 -1.23 0.00 0.00 177.57 175.94 1x2l h SER 53 N 0.97 0.99 -0.45 4.19 0.87 -1.30 0.02 113.55 118.84 1x2l h SER 53 Ca 0.28 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 1x2l h SER 53 Cb -0.07 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 1x2l h SER 53 CO -0.07 0.64 0.25 -0.08 -0.53 0.00 0.00 176.83 177.05 1x2l h GLU 54 N 1.13 0.62 -0.69 2.24 4.57 -0.50 -1.14 114.58 120.82 1x2l h GLU 54 Ca 0.41 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.53 1x2l h GLU 54 Cb 0.14 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 1x2l h GLU 54 CO -0.17 0.48 0.44 0.82 -1.18 0.00 0.00 179.01 179.41 1x2l h ILE 55 N 0.59 1.18 -0.20 2.32 2.04 -0.58 0.25 117.51 123.12 1x2l h ILE 55 Ca 0.16 -0.36 -0.15 0.00 1.00 0.00 0.00 64.86 65.51 1x2l h ILE 55 Cb 0.04 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1x2l h ILE 55 CO -0.03 0.18 -0.50 -0.07 0.00 0.00 0.00 178.15 177.74 1x2l h LEU 56 N 0.94 0.59 -0.26 1.44 3.38 -1.02 -1.15 115.31 119.23 1x2l h LEU 56 Ca 0.25 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1x2l h LEU 56 Cb -0.08 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1x2l h LEU 56 CO -0.05 0.99 -0.01 0.00 0.09 0.00 0.00 178.44 179.45 1x2l h ALA 57 N 1.03 0.35 -2.53 1.53 0.00 -0.79 -3.40 119.26 115.46 1x2l h ALA 57 Ca 0.02 -0.23 -0.60 0.00 0.00 0.00 0.00 54.91 54.10 1x2l h ALA 57 Cb 1.02 -0.09 -0.39 0.00 0.00 0.00 0.00 17.79 18.32 1x2l h ALA 57 CO 0.09 0.10 -0.88 0.54 0.00 0.00 0.00 179.25 179.10 1x2l n ARG 58 N -4.61 0.65 -2.17 0.00 1.74 0.84 -5.06 116.66 108.06 1x2l n ARG 58 Ca -0.03 -3.53 -0.41 0.00 -0.77 0.00 0.00 57.85 53.11 1x2l n ARG 58 Cb 0.26 -1.82 -0.03 0.00 -1.02 0.00 0.00 32.46 29.85 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 -0.41 3.04 0.68 5.56 0.04 -0.44 -4.55 135.00 138.91 1x2l s PRO 59 Ca 0.31 0.71 -0.11 0.00 0.04 0.00 0.00 61.00 61.95 1x2l s PRO 59 Cb 0.03 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1x2l s PRO 59 CO -0.19 -2.24 1.06 0.15 0.04 0.00 0.00 177.00 175.83 1x2l s LYS 60 N 6.16 2.99 0.35 4.56 1.02 -1.26 -4.62 119.74 128.93 1x2l s LYS 60 Ca 0.64 0.46 -0.28 0.00 0.02 0.00 0.00 55.97 56.80 1x2l s LYS 60 Cb -0.14 -2.06 -0.12 0.00 -0.52 0.00 0.00 37.83 34.99 1x2l s LYS 60 CO 0.25 -0.92 1.34 -2.30 -0.92 0.00 0.00 175.35 172.80 1x2l n PRO 61 N -2.92 2.26 -0.20 -1.68 -0.02 -1.26 -4.71 135.00 126.47 1x2l n PRO 61 Ca 0.06 0.79 0.01 0.00 -2.02 0.00 0.00 63.50 62.34 1x2l n PRO 61 Cb 0.57 -2.41 0.11 0.00 -0.02 0.00 0.00 33.50 31.74 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 2.67 0.08 -0.04 6.00 2.91 -1.95 0.81 115.95 126.43 1x2l h TRP 62 Ca -0.47 0.04 0.01 0.00 1.13 0.00 0.00 58.89 59.60 1x2l h TRP 62 Cb 1.27 0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 29.98 1x2l h TRP 62 CO 0.51 -0.10 0.15 0.07 -1.03 0.00 0.00 178.44 178.04 1x2l h ARG 63 N 0.18 0.00 0.06 2.65 -0.00 -1.92 -1.14 114.38 114.21 1x2l h ARG 63 Ca 0.32 0.00 -0.24 0.00 -0.00 0.00 0.00 59.98 60.05 1x2l h ARG 63 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.47 1x2l h ARG 63 CO -0.46 0.00 -1.07 0.87 -0.00 0.00 0.00 179.97 179.31 1x2l h LYS 64 N 0.00 0.33 -7.44 0.08 1.79 -1.18 -3.46 116.57 106.68 1x2l h LYS 64 Ca 0.02 -0.43 -0.49 0.00 -2.18 0.00 0.00 60.65 57.56 1x2l h LYS 64 Cb 0.32 0.14 0.08 0.00 -1.58 0.00 0.00 32.23 31.19 1x2l h LYS 64 CO -0.00 1.14 0.40 -0.51 -1.08 0.00 0.00 179.45 179.40 1x2l s LEU 65 N -7.44 2.89 0.00 2.94 1.43 -0.43 -5.04 118.68 113.02 1x2l s LEU 65 Ca -0.05 1.22 0.01 0.00 -1.03 0.00 0.00 54.13 54.29 1x2l s LEU 65 Cb 0.08 -4.02 -0.00 0.00 0.03 0.00 0.00 46.19 42.28 1x2l s LEU 65 CO 0.87 -1.41 0.04 0.35 0.23 0.00 0.00 176.35 176.42 1x2l n THR 66 N -3.07 0.00 -0.24 5.49 -2.24 -1.26 -4.89 114.28 108.07 1x2l n THR 66 Ca 0.07 -1.83 -0.03 0.00 -2.27 0.00 0.00 64.05 59.98 1x2l n THR 66 Cb 0.56 0.46 0.02 0.00 -2.10 0.00 0.00 70.33 69.28 1x2l n THR 66 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1x2l h VAL 67 N 1.31 0.15 0.00 2.28 -1.51 -1.99 0.17 116.25 116.66 1x2l h VAL 67 Ca -0.30 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.15 1x2l h VAL 67 Cb 0.96 0.15 -0.00 0.00 -2.13 0.00 0.00 31.29 30.27 1x2l h VAL 67 CO 0.49 0.00 -0.12 0.07 -1.23 0.00 0.00 177.57 176.78 1x2l h LYS 68 N -0.11 0.00 -0.40 5.19 5.09 -1.99 0.28 116.57 124.63 1x2l h LYS 68 Ca 0.27 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.89 1x2l h LYS 68 Cb 0.56 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.88 1x2l h LYS 68 CO -0.75 0.12 -0.26 0.78 -2.09 0.00 0.00 179.45 177.26 1x2l h GLY 69 N 2.67 0.89 0.94 0.07 0.00 -1.25 -3.36 103.07 103.04 1x2l h GLY 69 Ca -0.00 -0.80 -0.21 0.00 0.00 0.00 0.00 47.33 46.32 1x2l h GLY 69 CO 0.02 0.73 -1.54 0.28 0.00 0.00 0.00 176.54 176.02 1x2l n LYS 70 N -4.10 0.63 -0.35 4.80 5.02 0.36 -4.38 118.16 120.14 1x2l n LYS 70 Ca -0.00 0.24 -0.07 0.00 -2.02 0.00 0.00 58.31 56.45 1x2l n LYS 70 Cb 0.46 -1.79 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 1x2l n LYS 70 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1x2l n GLU 71 N -2.93 -0.33 0.00 1.97 -0.58 0.85 -0.97 120.64 118.65 1x2l n GLU 71 Ca -0.13 1.29 -0.12 0.00 -0.42 0.00 0.00 57.16 57.79 1x2l n GLU 71 Cb 0.91 -1.91 -0.08 0.00 -0.57 0.00 0.00 31.44 29.80 1x2l n GLU 71 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1x2l h PRO 72 N 0.00 0.05 -0.55 3.49 0.13 -1.80 -2.83 132.00 130.50 1x2l h PRO 72 Ca 0.18 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 65.33 1x2l h PRO 72 Cb 0.39 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.49 1x2l h PRO 72 CO -0.81 0.26 0.37 0.74 -0.23 0.00 0.00 178.00 178.32 1x2l h PHE 73 N -0.16 0.61 0.46 1.56 0.04 -1.47 0.11 116.94 118.09 1x2l h PHE 73 Ca 0.01 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1x2l h PHE 73 Cb 0.23 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1x2l h PHE 73 CO 0.00 0.36 -0.22 0.82 -0.60 0.00 0.00 178.31 178.67 1x2l h ILE 74 N 0.64 0.55 -0.15 -0.55 2.04 -0.92 0.62 117.51 119.75 1x2l h ILE 74 Ca 0.22 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.11 1x2l h ILE 74 Cb 0.09 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1x2l h ILE 74 CO -0.06 0.00 -0.07 0.11 0.00 0.00 0.00 178.15 178.13 1x2l h LYS 75 N -0.62 -0.06 -0.12 2.37 1.57 -1.11 -2.06 116.57 116.54 1x2l h LYS 75 Ca -0.06 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1x2l h LYS 75 Cb 0.47 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1x2l h LYS 75 CO 0.10 -0.04 0.06 0.52 -0.57 0.00 0.00 179.45 179.53 1x2l h MET 76 N -0.06 0.13 -0.77 3.15 2.86 -0.67 0.66 114.93 120.24 1x2l h MET 76 Ca 0.08 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 1x2l h MET 76 Cb 0.18 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.76 1x2l h MET 76 CO -0.19 0.09 0.50 -0.22 1.06 0.00 0.00 176.91 178.16 1x2l h LYS 77 N 0.14 0.88 -0.07 1.72 3.64 -0.69 -0.66 116.57 121.52 1x2l h LYS 77 Ca 0.05 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 1x2l h LYS 77 Cb 0.00 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1x2l h LYS 77 CO -0.03 0.58 -0.86 1.96 -2.27 0.00 0.00 179.45 178.83 1x2l h GLN 78 N 0.90 0.62 -1.00 1.90 4.20 -0.77 -2.95 115.11 118.00 1x2l h GLN 78 Ca 0.31 -0.57 0.08 0.00 0.06 0.00 0.00 58.65 58.54 1x2l h GLN 78 Cb 0.11 0.14 -0.07 0.00 0.30 0.00 0.00 27.48 27.96 1x2l h GLN 78 CO -0.10 1.19 0.64 0.35 -0.67 0.00 0.00 178.83 180.24 1x2l h PHE 79 N 0.39 1.18 0.00 2.96 3.04 -0.37 -1.72 116.94 122.43 1x2l h PHE 79 Ca -0.07 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.91 1x2l h PHE 79 Cb 1.49 -0.38 0.00 0.00 2.56 0.00 0.00 35.95 39.62 1x2l h PHE 79 CO 0.08 0.56 0.00 -0.07 -2.02 0.00 0.00 178.31 176.86 1x2l h LEU 80 N 1.11 0.00 -1.64 0.59 3.38 -1.06 -3.23 115.31 114.46 1x2l h LEU 80 Ca 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.41 1x2l h LEU 80 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1x2l h LEU 80 CO -0.20 0.00 0.08 0.28 0.09 0.00 0.00 178.44 178.69 1x2l h SER 81 N 0.00 0.28 -3.24 -0.43 0.02 -1.14 -3.40 113.55 105.65 1x2l h SER 81 Ca 0.00 -0.02 -0.43 0.00 -0.84 0.00 0.00 61.79 60.50 1x2l h SER 81 Cb 0.67 -0.07 -0.39 0.00 0.14 0.00 0.00 62.40 62.74 1x2l h SER 81 CO 0.00 0.27 -0.75 -0.62 -1.14 0.00 0.00 176.83 174.58 1x2l s ASP 82 N -6.84 1.71 0.43 3.07 2.15 -1.22 -5.03 116.67 110.94 1x2l s ASP 82 Ca -0.07 -0.21 0.26 0.00 0.43 0.00 0.00 52.55 52.97 1x2l s ASP 82 Cb 0.17 -0.31 1.40 0.00 -0.30 0.00 0.00 42.92 43.88 1x2l s ASP 82 CO 0.72 -0.26 1.77 -0.08 -0.17 0.00 0.00 175.17 177.15 1x2l h GLU 83 N 8.38 0.00 -0.04 4.34 4.81 -1.78 -1.61 114.58 128.68 1x2l h GLU 83 Ca -0.16 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1x2l h GLU 83 Cb 1.13 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 1x2l h GLU 83 CO 0.23 0.00 0.12 1.96 -0.73 0.00 0.00 179.01 180.59 1x2l h GLN 84 N 0.00 0.00 -0.02 1.92 1.08 -1.96 -1.88 115.11 114.25 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 0.18 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1x2l h GLN 84 CO 0.00 0.00 -0.03 -0.91 -0.95 0.00 0.00 178.83 176.94 1x2l h ASN 85 N 0.00 0.06 -0.13 1.46 2.35 -1.51 -0.12 115.58 117.69 1x2l h ASN 85 Ca 0.02 -0.52 -0.05 0.00 -0.55 0.00 0.00 56.30 55.20 1x2l h ASN 85 Cb 0.26 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1x2l h ASN 85 CO -0.00 0.57 -0.06 1.62 -1.65 0.00 0.00 177.43 177.90 1x2l h VAL 86 N -0.45 1.19 -0.56 2.81 3.04 -1.67 -1.51 116.25 119.10 1x2l h VAL 86 Ca 0.00 -0.80 -0.02 0.00 -1.01 0.00 0.00 66.70 64.87 1x2l h VAL 86 Cb 0.55 1.06 -0.03 0.00 -2.01 0.00 0.00 31.29 30.87 1x2l h VAL 86 CO 0.01 0.26 0.27 -0.07 -1.01 0.00 0.00 177.57 177.04 1x2l h LEU 87 N 0.39 0.73 0.00 3.16 3.38 -1.31 -0.90 115.31 120.76 1x2l h LEU 87 Ca 0.08 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1x2l h LEU 87 Cb 0.36 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1x2l h LEU 87 CO 0.02 0.65 0.00 0.00 0.09 0.00 0.00 178.44 179.20 1x2l n ALA 88 N -2.33 1.97 0.15 1.53 0.00 -0.07 -2.20 120.51 119.58 1x2l n ALA 88 Ca 0.03 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.50 1x2l n ALA 88 Cb 0.12 -1.25 -0.08 0.00 0.00 0.00 0.00 19.45 18.23 1x2l n ALA 88 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1x2l n LEU 89 N -1.14 0.41 0.05 0.00 7.99 -0.37 -4.59 117.00 119.35 1x2l n LEU 89 Ca 0.10 0.08 -0.13 0.00 -0.01 0.00 0.00 56.01 56.05 1x2l n LEU 89 Cb 0.09 -0.03 -0.09 0.00 -0.11 0.00 0.00 43.42 43.28 1x2l n LEU 89 CO 0.10 -0.05 0.69 0.03 -1.51 0.00 0.00 177.39 176.65 1x2l h ARG 90 N 0.00 -0.10 -0.87 3.23 3.08 -1.17 -2.68 114.38 115.86 1x2l h ARG 90 Ca 0.00 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.20 1x2l h ARG 90 Cb 0.94 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.95 1x2l h ARG 90 CO 0.00 0.20 0.57 1.15 -1.07 0.00 0.00 179.97 180.81 1x2l h THR 91 N -0.41 0.82 -0.32 2.04 2.02 -1.84 -1.27 112.91 113.96 1x2l h THR 91 Ca -0.01 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 66.89 1x2l h THR 91 Cb 0.35 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1x2l h THR 91 CO 0.02 0.12 -0.05 0.40 0.37 0.00 0.00 175.52 176.38 1x2l h ILE 92 N 0.64 1.21 -0.34 3.11 2.04 -1.73 -2.72 117.51 119.72 1x2l h ILE 92 Ca 0.44 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 1x2l h ILE 92 Cb 0.76 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1x2l h ILE 92 CO -0.19 0.30 0.01 -0.61 0.00 0.00 0.00 178.15 177.65 1x2l h GLN 93 N 0.49 0.59 0.00 2.37 5.75 -0.93 0.65 115.11 124.03 1x2l h GLN 93 Ca 0.10 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1x2l h GLN 93 Cb 0.40 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.89 1x2l h GLN 93 CO 0.02 0.71 0.00 1.55 -2.65 0.00 0.00 178.83 178.46 1x2l n VAL 94 N -4.53 0.11 -0.74 2.39 3.14 -1.16 -1.27 118.33 116.27 1x2l n VAL 94 Ca -0.02 0.03 0.07 0.00 -2.96 0.00 0.00 64.34 61.46 1x2l n VAL 94 Cb 0.26 -0.84 0.13 0.00 -1.06 0.00 0.00 33.84 32.33 1x2l n VAL 94 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1x2l n ARG 95 N -1.04 2.11 -0.91 1.45 1.74 0.11 -5.03 116.66 115.09 1x2l n ARG 95 Ca 0.08 -2.34 -0.29 0.00 -0.77 0.00 0.00 57.85 54.54 1x2l n ARG 95 Cb 0.05 -1.43 0.22 0.00 -1.02 0.00 0.00 32.46 30.28 1x2l n ARG 95 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1x2l s SER 96 N -2.12 1.66 0.33 0.55 1.04 -0.40 -5.01 113.70 109.75 1x2l s SER 96 Ca 0.26 1.21 -0.18 0.00 0.48 0.00 0.00 55.95 57.72 1x2l s SER 96 Cb 0.21 -1.87 0.06 0.00 0.10 0.00 0.00 66.02 64.52 1x2l s SER 96 CO 0.04 -3.74 0.84 -0.83 0.98 0.00 0.00 173.24 170.54 1x2l s GLY 97 N -3.16 0.27 0.21 7.32 0.00 -1.26 -5.08 107.32 105.62 1x2l s GLY 97 Ca 0.67 -0.61 -0.31 0.00 0.00 0.00 0.00 44.72 44.46 1x2l s GLY 97 CO 0.60 0.25 1.62 2.56 0.00 0.00 0.00 173.10 178.13 1x2l s PRO 98 N -2.42 4.17 -0.77 2.90 0.04 -1.26 -2.95 135.00 134.71 1x2l s PRO 98 Ca 0.16 2.48 -0.06 0.00 0.04 0.00 0.00 61.00 63.62 1x2l s PRO 98 Cb -0.05 -3.10 0.01 0.00 0.04 0.00 0.00 34.50 31.40 1x2l s PRO 98 CO 0.10 -0.65 0.61 0.43 0.04 0.00 0.00 177.00 177.53 1x2l n SER 99 N 3.58 -4.94 -4.56 6.66 7.64 -1.26 -4.82 113.62 115.93 1x2l n SER 99 Ca 0.13 -0.86 -0.24 0.00 1.01 0.00 0.00 58.87 58.91 1x2l n SER 99 Cb 0.37 -1.67 -0.05 0.00 -1.01 0.00 0.00 64.21 61.85 1x2l n SER 99 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x2l s SER 100 N -2.78 4.84 0.00 6.43 0.01 -1.15 -5.25 113.70 115.81 1x2l s SER 100 Ca 0.05 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.88 1x2l s SER 100 Cb -0.01 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1x2l s SER 100 CO 0.89 -3.00 0.00 0.61 0.41 0.00 0.00 173.24 172.16