#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 -3.98 -3.87 1.61 7.64 -1.26 -4.94 113.62 108.82 1x2l n SER 2 Ca 0.00 -0.66 -0.10 0.00 1.01 0.00 0.00 58.87 59.12 1x2l n SER 2 Cb 0.00 -4.68 -0.09 0.00 -1.01 0.00 0.00 64.21 58.43 1x2l n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x2l s SER 3 N -3.79 0.06 0.14 6.43 0.01 -1.26 -5.18 113.70 110.12 1x2l s SER 3 Ca 0.34 -0.37 -0.14 0.00 1.31 0.00 0.00 55.95 57.08 1x2l s SER 3 Cb -0.16 0.26 0.02 0.00 0.21 0.00 0.00 66.02 66.36 1x2l s SER 3 CO 0.76 -0.51 0.38 -0.83 0.41 0.00 0.00 173.24 173.45 1x2l s GLY 4 N -1.96 -0.11 0.13 3.44 0.00 -1.26 -5.19 107.32 102.37 1x2l s GLY 4 Ca -0.07 -0.25 -0.18 0.00 0.00 0.00 0.00 44.72 44.23 1x2l s GLY 4 CO -0.03 -0.43 0.45 -0.45 0.00 0.00 0.00 173.10 172.64 1x2l s SER 5 N -2.84 -0.31 0.22 1.64 0.15 -1.26 -5.18 113.70 106.11 1x2l s SER 5 Ca 0.06 -0.22 -0.16 0.00 0.70 0.00 0.00 55.95 56.33 1x2l s SER 5 Cb 0.02 0.50 0.02 0.00 -1.71 0.00 0.00 66.02 64.84 1x2l s SER 5 CO -0.09 -0.86 0.53 -0.44 1.20 0.00 0.00 173.24 173.58 1x2l s SER 6 N -2.72 -0.20 0.13 5.45 0.01 -1.26 -5.18 113.70 109.92 1x2l s SER 6 Ca 0.02 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1x2l s SER 6 Cb 0.01 0.60 -0.04 0.00 0.21 0.00 0.00 66.02 66.80 1x2l s SER 6 CO -0.11 -1.12 0.01 -0.83 0.41 0.00 0.00 173.24 171.60 1x2l s GLY 7 N -2.92 0.95 0.07 3.44 0.00 -1.26 -5.18 107.32 102.42 1x2l s GLY 7 Ca 0.13 -1.45 -0.26 0.00 0.00 0.00 0.00 44.72 43.14 1x2l s GLY 7 CO 0.02 -1.43 0.64 0.00 0.00 0.00 0.00 173.10 172.33 1x2l s ALA 8 N -3.83 -1.67 -0.38 3.20 0.00 -1.26 -5.12 121.76 112.69 1x2l s ALA 8 Ca 0.20 0.83 -0.01 0.00 0.00 0.00 0.00 51.96 52.97 1x2l s ALA 8 Cb 0.07 0.53 0.24 0.00 0.00 0.00 0.00 23.12 23.96 1x2l s ALA 8 CO -0.00 -0.61 1.09 0.41 0.00 0.00 0.00 175.76 176.64 1x2l n GLY 9 N 0.13 -1.30 3.74 0.00 0.00 -1.26 -5.16 105.19 101.34 1x2l n GLY 9 Ca -0.18 0.88 -0.41 0.00 0.00 0.00 0.00 46.02 46.31 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 0.53 4.70 0.00 1.61 0.04 -1.26 -4.90 135.00 135.72 1x2l s PRO 10 Ca 0.27 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1x2l s PRO 10 Cb 0.17 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1x2l s PRO 10 CO -0.12 0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.58 1x2l n GLY 11 N 1.89 0.08 1.63 0.56 0.00 -1.26 -5.19 105.19 102.92 1x2l n GLY 11 Ca 0.01 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 -3.00 -1.99 -3.47 4.61 0.00 -1.26 -5.12 120.51 110.28 1x2l n ALA 12 Ca 0.00 0.49 -0.11 0.00 0.00 0.00 0.00 53.44 53.83 1x2l n ALA 12 Cb 0.00 -1.49 -0.02 0.00 0.00 0.00 0.00 19.45 17.94 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 -5.12 1.02 -0.54 0.00 -1.05 -1.26 -5.11 118.70 106.64 1x2l s GLU 13 Ca 0.00 -0.31 -0.28 0.00 -0.15 0.00 0.00 54.97 54.24 1x2l s GLU 13 Cb 0.00 0.47 0.01 0.00 -0.44 0.00 0.00 34.13 34.17 1x2l s GLU 13 CO 0.00 -0.43 1.47 -2.00 0.95 0.00 0.00 175.26 175.25 1x2l s GLU 14 N -3.13 3.28 0.33 -4.83 2.56 -1.26 -4.96 118.70 110.69 1x2l s GLU 14 Ca 0.02 0.57 0.00 0.00 0.00 0.00 0.00 54.97 55.56 1x2l s GLU 14 Cb -0.01 -4.14 -0.01 0.00 2.00 0.00 0.00 34.13 31.97 1x2l s GLU 14 CO -0.09 -1.95 0.40 -1.83 -0.56 0.00 0.00 175.26 171.23 1x2l s GLU 15 N 5.57 1.82 -0.15 4.30 -1.05 -1.26 -5.12 118.70 122.81 1x2l s GLU 15 Ca 0.56 -1.81 -0.29 0.00 -0.15 0.00 0.00 54.97 53.28 1x2l s GLU 15 Cb -0.12 0.40 -0.02 0.00 -0.44 0.00 0.00 34.13 33.95 1x2l s GLU 15 CO 0.26 -0.72 1.35 -0.65 0.95 0.00 0.00 175.26 176.44 1x2l s GLN 16 N -3.26 4.20 -0.03 -4.83 -0.21 -1.26 -5.02 119.66 109.26 1x2l s GLN 16 Ca 0.34 1.75 0.03 0.00 0.02 0.00 0.00 55.36 57.49 1x2l s GLN 16 Cb 0.01 -3.82 -0.03 0.00 1.00 0.00 0.00 33.01 30.17 1x2l s GLN 16 CO 0.21 -0.76 -0.08 -0.51 -2.12 0.00 0.00 175.29 172.03 1x2l s LEU 17 N 3.68 3.08 -0.62 2.90 1.43 -1.26 -5.06 118.68 122.82 1x2l s LEU 17 Ca 0.59 -0.12 -0.27 0.00 -1.03 0.00 0.00 54.13 53.29 1x2l s LEU 17 Cb -0.24 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.27 1x2l s LEU 17 CO 0.18 0.32 1.48 -1.81 0.23 0.00 0.00 176.35 176.74 1x2l s ASP 18 N -1.12 5.95 0.23 2.29 1.01 -1.26 -4.63 116.67 119.13 1x2l s ASP 18 Ca 0.15 0.08 0.00 0.00 0.71 0.00 0.00 52.55 53.49 1x2l s ASP 18 Cb -0.11 -2.55 0.22 0.00 1.01 0.00 0.00 42.92 41.50 1x2l s ASP 18 CO 0.04 -1.89 1.58 0.71 0.21 0.00 0.00 175.17 175.82 1x2l h THR 19 N 6.39 1.32 0.00 -1.27 1.35 -1.94 -0.26 112.91 118.49 1x2l h THR 19 Ca -0.27 -1.68 -0.06 0.00 -0.55 0.00 0.00 66.41 63.85 1x2l h THR 19 Cb 1.10 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 69.20 1x2l h THR 19 CO 1.22 0.52 -0.26 0.00 -0.25 0.00 0.00 175.52 176.74 1x2l h ALA 20 N 1.11 1.22 0.01 6.62 0.00 -1.84 0.47 119.26 126.86 1x2l h ALA 20 Ca 0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1x2l h ALA 20 Cb 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1x2l h ALA 20 CO 0.09 0.33 -0.00 1.49 0.00 0.00 0.00 179.25 181.15 1x2l h GLU 21 N 0.00 -0.01 -0.07 0.00 4.81 -1.88 -0.82 114.58 116.61 1x2l h GLU 21 Ca -0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1x2l h GLU 21 Cb 0.60 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.94 1x2l h GLU 21 CO 0.03 0.81 -0.22 0.82 -0.73 0.00 0.00 179.01 179.72 1x2l h ILE 22 N -0.90 0.47 -0.51 2.32 2.04 -1.01 0.14 117.51 120.06 1x2l h ILE 22 Ca -0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1x2l h ILE 22 Cb 0.82 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1x2l h ILE 22 CO 0.00 0.00 0.21 0.00 0.00 0.00 0.00 178.15 178.36 1x2l h ALA 23 N 0.62 0.64 0.31 1.87 0.00 -0.96 0.71 119.26 122.44 1x2l h ALA 23 Ca 0.08 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1x2l h ALA 23 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1x2l h ALA 23 CO -0.25 -0.17 -0.18 0.35 0.00 0.00 0.00 179.25 179.01 1x2l h PHE 24 N 0.41 -0.46 -0.98 0.00 3.57 -0.80 -2.73 116.94 115.94 1x2l h PHE 24 Ca 0.24 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 62.00 1x2l h PHE 24 Cb 0.22 0.16 -0.13 0.00 2.79 0.00 0.00 35.95 38.99 1x2l h PHE 24 CO -0.14 -0.27 0.54 1.96 -2.23 0.00 0.00 178.31 178.18 1x2l h GLN 25 N -0.45 0.46 0.25 1.11 4.20 -0.42 0.22 115.11 120.47 1x2l h GLN 25 Ca -0.04 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1x2l h GLN 25 Cb 0.35 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1x2l h GLN 25 CO 0.05 0.30 -0.21 0.28 -0.67 0.00 0.00 178.83 178.59 1x2l h VAL 26 N 0.47 0.56 -0.29 -0.54 2.07 -0.88 -0.13 116.25 117.50 1x2l h VAL 26 Ca 0.65 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.24 1x2l h VAL 26 Cb 1.32 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 31.58 1x2l h VAL 26 CO -0.53 0.00 -0.14 0.11 0.02 0.00 0.00 177.57 177.03 1x2l h LYS 27 N -0.47 -0.09 -0.58 1.57 1.57 -0.30 -0.91 116.57 117.37 1x2l h LYS 27 Ca -0.01 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1x2l h LYS 27 Cb 0.42 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1x2l h LYS 27 CO -0.02 -0.06 0.37 0.93 -0.57 0.00 0.00 179.45 180.10 1x2l h GLU 28 N -0.09 0.72 -0.04 3.15 4.39 -0.93 0.33 114.58 122.10 1x2l h GLU 28 Ca 0.15 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1x2l h GLU 28 Cb 0.33 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1x2l h GLU 28 CO -0.36 0.47 0.02 1.96 -1.16 0.00 0.00 179.01 179.95 1x2l h GLN 29 N 0.74 0.05 -0.08 2.33 1.08 -0.81 0.17 115.11 118.60 1x2l h GLN 29 Ca 0.22 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.42 1x2l h GLN 29 Cb -0.03 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 1x2l h GLN 29 CO -0.07 0.10 0.03 -0.07 -0.95 0.00 0.00 178.83 177.87 1x2l h LEU 30 N -0.01 0.04 -0.81 1.46 3.38 -0.76 -2.44 115.31 116.16 1x2l h LEU 30 Ca 0.01 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.11 1x2l h LEU 30 Cb 0.06 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 1x2l h LEU 30 CO -0.00 0.04 0.42 -0.07 0.09 0.00 0.00 178.44 178.91 1x2l h LEU 31 N 0.07 0.54 -2.01 1.67 -0.00 -0.82 0.25 115.31 115.01 1x2l h LEU 31 Ca 0.03 0.07 0.15 0.00 -0.00 0.00 0.00 57.88 58.13 1x2l h LEU 31 Cb 0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 40.63 1x2l h LEU 31 CO -0.03 0.27 0.42 0.11 -0.00 0.00 0.00 178.44 179.21 1x2l h LYS 32 N 0.66 0.00 0.00 1.13 1.57 -0.15 -0.61 116.57 119.17 1x2l h LYS 32 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1x2l h LYS 32 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1x2l h LYS 32 CO -0.31 0.00 -0.07 0.72 -0.57 0.00 0.00 179.45 179.22 1x2l n HIS 33 N -4.11 0.00 -4.13 -1.35 8.25 -0.85 -5.03 115.22 107.99 1x2l n HIS 33 Ca 0.09 -0.60 -0.35 0.00 -0.26 0.00 0.00 57.72 56.61 1x2l n HIS 33 Cb 0.64 -0.09 -0.04 0.00 1.12 0.00 0.00 29.99 31.61 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 -0.79 -1.12 -4.88 0.41 3.02 0.57 -4.98 115.26 107.50 1x2l n ASN 34 Ca 0.07 -1.19 -0.31 0.00 -0.03 0.00 0.00 54.58 53.12 1x2l n ASN 34 Cb 0.50 -1.46 -0.05 0.00 -0.61 0.00 0.00 39.78 38.17 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 -4.01 4.90 -0.03 2.41 1.01 0.47 -4.95 121.20 121.01 1x2l s ILE 35 Ca 0.20 0.46 -0.24 0.00 0.00 0.00 0.00 60.65 61.07 1x2l s ILE 35 Cb -0.11 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1x2l s ILE 35 CO 0.91 -0.20 0.71 -0.83 0.00 0.00 0.00 174.94 175.53 1x2l s GLY 36 N -2.64 2.67 0.66 6.18 0.00 -1.26 -4.58 107.32 108.35 1x2l s GLY 36 Ca 0.48 0.17 0.44 0.00 0.00 0.00 0.00 44.72 45.81 1x2l s GLY 36 CO 0.24 1.11 2.36 1.46 0.00 0.00 0.00 173.10 178.27 1x2l h GLN 37 N 6.31 0.00 0.67 2.90 4.20 -1.99 -2.35 115.11 124.85 1x2l h GLN 37 Ca -0.42 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.25 1x2l h GLN 37 Cb 1.20 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.99 1x2l h GLN 37 CO 0.73 0.00 -0.32 -0.09 -0.67 0.00 0.00 178.83 178.48 1x2l h ARG 38 N 0.00 -0.87 -0.45 1.46 2.43 -1.93 -2.86 114.38 112.16 1x2l h ARG 38 Ca -0.00 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.30 1x2l h ARG 38 Cb 0.02 0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 29.71 1x2l h ARG 38 CO 0.00 -0.58 0.11 0.28 -1.51 0.00 0.00 179.97 178.27 1x2l h VAL 39 N -1.16 0.78 -0.25 0.20 2.07 -1.86 0.12 116.25 116.15 1x2l h VAL 39 Ca -0.09 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.40 1x2l h VAL 39 Cb 0.69 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1x2l h VAL 39 CO 0.15 0.05 -0.13 0.15 0.02 0.00 0.00 177.57 177.81 1x2l h PHE 40 N 0.25 -0.31 0.00 1.57 3.57 -1.54 -0.58 116.94 119.90 1x2l h PHE 40 Ca 0.22 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.67 1x2l h PHE 40 Cb 0.26 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1x2l h PHE 40 CO -0.20 -0.19 -0.38 0.78 -2.23 0.00 0.00 178.31 176.09 1x2l h GLY 41 N -0.10 0.00 2.00 2.40 0.00 -1.18 -0.93 103.07 105.27 1x2l h GLY 41 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 1x2l h GLY 41 CO -0.31 0.00 -0.22 0.84 0.00 0.00 0.00 176.54 176.85 1x2l h HIS 42 N 0.00 0.00 0.00 5.60 -0.00 0.70 0.50 115.15 121.95 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 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.12 1x2l h HIS 42 CO 0.00 0.22 -0.18 0.66 -0.00 0.00 0.00 177.93 178.63 1x2l n TYR 43 N -3.34 0.00 -0.10 5.26 4.02 -0.52 -4.18 117.16 118.29 1x2l n TYR 43 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.78 1x2l n TYR 43 Cb 0.45 -0.09 -0.04 0.00 -0.02 0.00 0.00 39.34 39.64 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 -0.18 1.28 0.05 -0.72 2.07 -1.38 -3.33 116.25 114.03 1x2l h VAL 44 Ca 0.00 -1.07 -0.37 0.00 0.82 0.00 0.00 66.70 66.08 1x2l h VAL 44 Cb 0.18 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1x2l h VAL 44 CO 0.00 0.34 -2.18 0.18 0.02 0.00 0.00 177.57 175.93 1x2l n LEU 45 N -4.51 2.65 -0.02 2.57 4.77 -1.18 -4.89 117.00 116.41 1x2l n LEU 45 Ca -0.03 0.10 -0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1x2l n LEU 45 Cb 0.30 -1.00 -0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1x2l n LEU 45 CO 0.40 0.82 -0.00 0.61 -1.33 0.00 0.00 177.39 177.88 1x2l n GLY 46 N 1.99 0.38 3.51 -0.72 0.00 0.15 -4.86 105.19 105.65 1x2l n GLY 46 Ca -0.40 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.04 2.67 0.90 0.99 1.43 0.15 -4.96 118.68 119.83 1x2l s LEU 47 Ca 0.00 -1.18 -0.11 0.00 -1.03 0.00 0.00 54.13 51.81 1x2l s LEU 47 Cb -0.00 -0.94 0.13 0.00 0.03 0.00 0.00 46.19 45.42 1x2l s LEU 47 CO 0.00 -0.21 1.10 -0.55 0.23 0.00 0.00 176.35 176.93 1x2l s SER 48 N -3.57 3.24 0.09 2.29 0.15 -1.26 -3.83 113.70 110.81 1x2l s SER 48 Ca 0.32 1.83 -0.28 0.00 0.70 0.00 0.00 55.95 58.51 1x2l s SER 48 Cb 0.02 -2.42 -0.15 0.00 -1.71 0.00 0.00 66.02 61.75 1x2l s SER 48 CO 0.15 -2.84 1.66 -0.61 1.20 0.00 0.00 173.24 172.81 1x2l h GLN 49 N -1.69 -0.51 -0.65 5.44 4.15 -1.91 -2.01 115.11 117.93 1x2l h GLN 49 Ca -0.47 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 58.97 1x2l h GLN 49 Cb 1.27 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 29.04 1x2l h GLN 49 CO 0.49 -0.34 0.36 0.78 -1.93 0.00 0.00 178.83 178.19 1x2l h GLY 50 N -0.52 0.97 0.26 2.39 0.00 -1.96 -1.30 103.07 102.89 1x2l h GLY 50 Ca -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1x2l h GLY 50 CO 0.03 0.42 -0.51 1.76 0.00 0.00 0.00 176.54 178.25 1x2l h SER 51 N 0.89 -1.47 -0.72 0.19 0.02 -1.85 -0.22 113.55 110.39 1x2l h SER 51 Ca 0.23 0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 61.27 1x2l h SER 51 Cb 0.04 0.52 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 1x2l h SER 51 CO -0.04 -0.58 0.25 -0.37 -1.14 0.00 0.00 176.83 174.95 1x2l h VAL 52 N -0.82 1.25 -0.55 2.27 -1.51 -1.33 -2.91 116.25 112.65 1x2l h VAL 52 Ca -0.03 -0.85 -0.01 0.00 -1.23 0.00 0.00 66.70 64.58 1x2l h VAL 52 Cb 0.78 0.42 -0.03 0.00 -2.13 0.00 0.00 31.29 30.34 1x2l h VAL 52 CO -0.20 0.34 0.29 -1.28 -1.23 0.00 0.00 177.57 175.49 1x2l h SER 53 N 1.07 0.68 -0.63 4.19 0.87 -0.83 0.89 113.55 119.80 1x2l h SER 53 Ca 0.24 -0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.78 1x2l h SER 53 Cb 0.26 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 1x2l h SER 53 CO -0.01 0.56 0.38 -0.08 -0.53 0.00 0.00 176.83 177.15 1x2l h GLU 54 N 0.77 0.71 -1.01 2.24 4.57 -0.91 0.39 114.58 121.35 1x2l h GLU 54 Ca 0.20 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.34 1x2l h GLU 54 Cb 0.04 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 28.42 1x2l h GLU 54 CO -0.03 0.47 0.67 0.82 -1.18 0.00 0.00 179.01 179.76 1x2l h ILE 55 N 0.73 1.26 -0.06 2.32 2.04 -0.67 0.24 117.51 123.37 1x2l h ILE 55 Ca 0.26 -0.47 -0.23 0.00 1.00 0.00 0.00 64.86 65.42 1x2l h ILE 55 Cb 0.06 -0.22 0.01 0.00 -0.74 0.00 0.00 36.82 35.93 1x2l h ILE 55 CO -0.12 0.25 -0.90 -0.07 0.00 0.00 0.00 178.15 177.31 1x2l h LEU 56 N 1.36 0.78 -0.02 1.44 3.38 -0.98 -2.09 115.31 119.18 1x2l h LEU 56 Ca 0.37 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1x2l h LEU 56 Cb -0.16 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.36 1x2l h LEU 56 CO -0.08 1.36 -0.02 0.00 0.09 0.00 0.00 178.44 179.79 1x2l h ALA 57 N 0.60 0.03 -2.48 1.53 0.00 -0.60 -3.38 119.26 114.96 1x2l h ALA 57 Ca -0.08 -0.24 -0.60 0.00 0.00 0.00 0.00 54.91 53.99 1x2l h ALA 57 Cb 1.53 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.90 1x2l h ALA 57 CO 0.17 -0.23 -0.75 0.54 0.00 0.00 0.00 179.25 178.99 1x2l n ARG 58 N -4.83 1.54 -1.88 0.00 1.74 0.80 -5.05 116.66 108.98 1x2l n ARG 58 Ca -0.08 -4.08 -0.39 0.00 -0.77 0.00 0.00 57.85 52.53 1x2l n ARG 58 Cb 0.25 -1.97 -0.03 0.00 -1.02 0.00 0.00 32.46 29.69 1x2l n ARG 58 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1x2l s PRO 59 N -1.44 2.69 1.10 5.56 0.04 -0.78 -4.57 135.00 137.60 1x2l s PRO 59 Ca 0.33 1.10 -0.14 0.00 0.04 0.00 0.00 61.00 62.33 1x2l s PRO 59 Cb 0.07 -4.39 0.24 0.00 0.04 0.00 0.00 34.50 30.46 1x2l s PRO 59 CO -0.12 -2.62 1.06 0.15 0.04 0.00 0.00 177.00 175.51 1x2l s LYS 60 N 6.98 -0.41 0.49 4.56 1.02 -1.26 -4.66 119.74 126.45 1x2l s LYS 60 Ca 0.80 0.52 -0.23 0.00 0.02 0.00 0.00 55.97 57.09 1x2l s LYS 60 Cb -0.17 -1.64 -0.07 0.00 -0.52 0.00 0.00 37.83 35.43 1x2l s LYS 60 CO 0.26 -3.30 1.24 -2.14 -0.92 0.00 0.00 175.35 170.49 1x2l s PRO 61 N -4.84 3.55 0.16 -1.68 0.02 -1.26 -4.70 135.00 126.25 1x2l s PRO 61 Ca 0.67 1.95 -0.16 0.00 0.02 0.00 0.00 61.00 63.48 1x2l s PRO 61 Cb -0.20 -2.37 0.08 0.00 0.02 0.00 0.00 34.50 32.04 1x2l s PRO 61 CO 0.60 -0.78 1.72 2.35 -0.33 0.00 0.00 177.00 180.57 1x2l h TRP 62 N 1.86 0.09 -0.09 6.54 2.91 -1.95 0.14 115.95 125.45 1x2l h TRP 62 Ca -0.50 0.02 0.03 0.00 1.13 0.00 0.00 58.89 59.57 1x2l h TRP 62 Cb 1.27 0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 29.93 1x2l h TRP 62 CO 0.51 -0.00 0.38 0.07 -1.03 0.00 0.00 178.44 178.37 1x2l h ARG 63 N 0.17 0.00 -0.31 2.65 -0.00 -1.95 -0.58 114.38 114.37 1x2l h ARG 63 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.16 1x2l h ARG 63 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.18 1x2l h ARG 63 CO -0.24 0.00 0.00 1.63 -0.00 0.00 0.00 179.97 181.36 1x2l n LYS 64 N -3.05 2.15 -4.18 0.08 4.76 0.48 -4.90 118.16 113.51 1x2l n LYS 64 Ca 0.00 -1.73 -0.27 0.00 -2.87 0.00 0.00 58.31 53.44 1x2l n LYS 64 Cb 0.46 -1.45 -0.05 0.00 -1.84 0.00 0.00 35.03 32.15 1x2l n LYS 64 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1x2l s LEU 65 N -1.47 2.79 0.00 -0.35 1.43 -0.22 -4.92 118.68 115.93 1x2l s LEU 65 Ca 0.35 -1.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.20 1x2l s LEU 65 Cb 0.20 -1.20 -0.00 0.00 0.03 0.00 0.00 46.19 45.21 1x2l s LEU 65 CO 0.28 -0.82 0.05 0.35 0.23 0.00 0.00 176.35 176.44 1x2l n THR 66 N -1.44 0.00 -0.13 5.49 -2.24 -1.26 -4.94 114.28 109.75 1x2l n THR 66 Ca -0.05 -0.99 -0.08 0.00 -2.27 0.00 0.00 64.05 60.65 1x2l n THR 66 Cb 0.65 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 69.17 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 1.24 0.16 -0.22 2.28 2.07 -1.98 0.22 116.25 120.03 1x2l h VAL 67 Ca -0.14 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1x2l h VAL 67 Cb 0.51 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1x2l h VAL 67 CO 0.23 0.00 0.11 0.11 0.02 0.00 0.00 177.57 178.04 1x2l h LYS 68 N -0.28 0.29 -0.49 1.57 1.79 -2.01 -0.65 116.57 116.80 1x2l h LYS 68 Ca 0.16 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.63 1x2l h LYS 68 Cb 0.56 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.12 1x2l h LYS 68 CO -0.58 0.22 0.29 0.78 -1.08 0.00 0.00 179.45 179.08 1x2l h GLY 69 N 0.36 0.69 0.93 3.86 0.00 -1.24 -3.33 103.07 104.34 1x2l h GLY 69 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1x2l h GLY 69 CO -0.01 0.19 -0.95 0.28 0.00 0.00 0.00 176.54 176.04 1x2l n LYS 70 N -4.81 0.48 -0.33 4.80 5.02 0.53 -4.34 118.16 119.50 1x2l n LYS 70 Ca 0.03 0.08 -0.01 0.00 -2.02 0.00 0.00 58.31 56.39 1x2l n LYS 70 Cb 0.07 -1.74 0.04 0.00 -0.02 0.00 0.00 35.03 33.38 1x2l n LYS 70 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1x2l h GLU 71 N 0.00 -0.04 0.06 1.97 4.81 -1.33 -0.42 114.58 119.63 1x2l h GLU 71 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1x2l h GLU 71 Cb 0.89 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.28 1x2l h GLU 71 CO 0.00 -0.03 -0.03 -1.00 -0.73 0.00 0.00 179.01 177.23 1x2l h PRO 72 N -0.04 -0.07 -0.93 0.92 0.13 -1.83 -3.02 132.00 127.16 1x2l h PRO 72 Ca 0.33 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.53 1x2l h PRO 72 Cb 0.60 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.68 1x2l h PRO 72 CO -0.91 0.22 0.60 0.74 -0.23 0.00 0.00 178.00 178.42 1x2l h PHE 73 N -0.37 1.09 0.29 1.56 0.04 -1.39 0.21 116.94 118.38 1x2l h PHE 73 Ca -0.01 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 1x2l h PHE 73 Cb 0.33 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1x2l h PHE 73 CO 0.02 0.58 -0.23 0.82 -0.60 0.00 0.00 178.31 178.91 1x2l h ILE 74 N 1.08 0.51 -0.40 -0.55 2.04 -1.19 0.49 117.51 119.50 1x2l h ILE 74 Ca 0.39 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.30 1x2l h ILE 74 Cb 0.16 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1x2l h ILE 74 CO -0.15 0.00 0.13 0.11 0.00 0.00 0.00 178.15 178.25 1x2l h LYS 75 N -0.53 0.28 -0.20 2.37 1.57 -1.15 -1.82 116.57 117.09 1x2l h LYS 75 Ca -0.02 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1x2l h LYS 75 Cb 0.46 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1x2l h LYS 75 CO -0.01 0.19 0.11 0.52 -0.57 0.00 0.00 179.45 179.69 1x2l h MET 76 N 0.29 0.27 -0.92 3.15 2.86 -0.43 -0.82 114.93 119.33 1x2l h MET 76 Ca 0.18 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1x2l h MET 76 Cb 0.17 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.72 1x2l h MET 76 CO -0.19 0.25 0.59 -0.22 1.06 0.00 0.00 176.91 178.40 1x2l h LYS 77 N 0.22 1.12 -0.55 1.72 3.64 -0.57 -0.72 116.57 121.43 1x2l h LYS 77 Ca 0.07 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1x2l h LYS 77 Cb 0.06 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 1x2l h LYS 77 CO -0.01 0.74 0.05 1.96 -2.27 0.00 0.00 179.45 179.92 1x2l h GLN 78 N 1.16 0.93 -0.87 1.90 4.20 -1.07 -2.24 115.11 119.12 1x2l h GLN 78 Ca 0.36 -0.27 0.07 0.00 0.06 0.00 0.00 58.65 58.87 1x2l h GLN 78 Cb -0.00 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 27.62 1x2l h GLN 78 CO -0.12 0.92 0.53 0.35 -0.67 0.00 0.00 178.83 179.85 1x2l h PHE 79 N 0.82 0.98 0.00 2.96 3.04 -0.54 -1.82 116.94 122.39 1x2l h PHE 79 Ca 0.16 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.14 1x2l h PHE 79 Cb 0.47 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.67 1x2l h PHE 79 CO 0.03 0.47 0.00 -0.07 -2.02 0.00 0.00 178.31 176.73 1x2l h LEU 80 N 0.95 0.00 0.00 0.59 3.38 -0.77 -2.98 115.31 116.47 1x2l h LEU 80 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1x2l h LEU 80 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1x2l h LEU 80 CO -0.19 0.00 -0.12 -1.20 0.09 0.00 0.00 178.44 177.02 1x2l n SER 81 N -2.34 0.71 -3.43 -0.43 7.64 -0.69 -4.68 113.62 110.41 1x2l n SER 81 Ca 0.04 0.47 -0.21 0.00 1.01 0.00 0.00 58.87 60.19 1x2l n SER 81 Cb 0.35 -0.58 -0.11 0.00 -1.01 0.00 0.00 64.21 62.87 1x2l n SER 81 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x2l s ASP 82 N -4.29 2.07 0.60 6.43 2.15 -1.13 -5.02 116.67 117.48 1x2l s ASP 82 Ca 0.10 -1.16 0.29 0.00 0.43 0.00 0.00 52.55 52.20 1x2l s ASP 82 Cb 0.13 0.26 1.28 0.00 -0.30 0.00 0.00 42.92 44.29 1x2l s ASP 82 CO 0.61 -0.37 1.66 -0.08 -0.17 0.00 0.00 175.17 176.83 1x2l h GLU 83 N 7.93 0.00 -0.14 4.34 4.57 -1.84 -1.23 114.58 128.21 1x2l h GLU 83 Ca -0.09 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1x2l h GLU 83 Cb 1.05 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 1x2l h GLU 83 CO 0.32 0.00 0.11 1.96 -1.18 0.00 0.00 179.01 180.22 1x2l h GLN 84 N 0.00 0.00 0.39 1.92 1.08 -1.95 -1.55 115.11 114.99 1x2l h GLN 84 Ca 0.34 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.52 1x2l h GLN 84 Cb 1.92 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.35 1x2l h GLN 84 CO -0.00 0.00 -0.19 -0.91 -0.95 0.00 0.00 178.83 176.78 1x2l h ASN 85 N 0.00 -0.44 -0.56 1.46 2.35 -1.47 -1.04 115.58 115.87 1x2l h ASN 85 Ca 0.07 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 1x2l h ASN 85 Cb 0.29 0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 1x2l h ASN 85 CO -0.00 -0.23 0.20 1.62 -1.65 0.00 0.00 177.43 177.37 1x2l h VAL 86 N -0.62 1.23 -0.79 2.81 3.04 -1.60 -1.68 116.25 118.63 1x2l h VAL 86 Ca -0.05 -0.76 -0.04 0.00 -1.01 0.00 0.00 66.70 64.85 1x2l h VAL 86 Cb 0.46 0.55 -0.04 0.00 -2.01 0.00 0.00 31.29 30.25 1x2l h VAL 86 CO 0.09 0.29 0.36 -0.07 -1.01 0.00 0.00 177.57 177.23 1x2l h LEU 87 N 0.88 1.05 -0.43 3.16 3.38 -1.11 -2.23 115.31 120.01 1x2l h LEU 87 Ca 0.20 -0.14 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 1x2l h LEU 87 Cb 0.23 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1x2l h LEU 87 CO -0.01 0.90 -0.69 0.00 0.09 0.00 0.00 178.44 178.74 1x2l h ALA 88 N 1.25 0.62 0.00 1.53 0.00 -0.88 -3.13 119.26 118.65 1x2l h ALA 88 Ca 0.27 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1x2l h ALA 88 Cb 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1x2l h ALA 88 CO -0.03 0.74 -0.03 -0.07 0.00 0.00 0.00 179.25 179.87 1x2l h LEU 89 N 0.31 0.00 -0.14 0.00 -0.00 -0.70 -2.01 115.31 112.76 1x2l h LEU 89 Ca -0.02 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.88 1x2l h LEU 89 Cb 1.25 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.89 1x2l h LEU 89 CO 0.12 0.03 0.01 0.03 -0.00 0.00 0.00 178.44 178.62 1x2l h ARG 90 N 0.00 0.06 -0.82 1.13 3.08 -1.43 -0.53 114.38 115.86 1x2l h ARG 90 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1x2l h ARG 90 Cb 0.07 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 1x2l h ARG 90 CO 0.00 0.04 0.53 1.15 -1.07 0.00 0.00 179.97 180.62 1x2l h THR 91 N 0.06 1.22 -0.63 2.04 2.02 -1.52 -2.07 112.91 114.03 1x2l h THR 91 Ca 0.06 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 1x2l h THR 91 Cb 0.07 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.48 1x2l h THR 91 CO -0.10 0.22 0.26 0.40 0.37 0.00 0.00 175.52 176.67 1x2l h ILE 92 N 1.12 1.23 -0.43 3.11 2.04 -1.28 -0.82 117.51 122.47 1x2l h ILE 92 Ca 0.30 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.47 1x2l h ILE 92 Cb -0.10 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 1x2l h ILE 92 CO -0.06 0.28 0.26 -0.61 0.00 0.00 0.00 178.15 178.02 1x2l h GLN 93 N 0.87 0.51 -0.00 2.37 5.75 -0.45 -0.96 115.11 123.19 1x2l h GLN 93 Ca 0.21 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.59 1x2l h GLN 93 Cb 0.19 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 1x2l h GLN 93 CO -0.02 0.34 -0.43 -0.24 -2.65 0.00 0.00 178.83 175.82 1x2l h VAL 94 N 0.52 1.31 0.00 2.39 3.04 -1.27 -2.92 116.25 119.32 1x2l h VAL 94 Ca 0.17 -1.49 0.00 0.00 -1.01 0.00 0.00 66.70 64.37 1x2l h VAL 94 Cb 0.01 1.80 0.00 0.00 -2.01 0.00 0.00 31.29 31.09 1x2l h VAL 94 CO -0.08 0.43 0.00 0.54 -1.01 0.00 0.00 177.57 177.45 1x2l n ARG 95 N -4.02 0.83 -1.14 4.17 5.12 -0.33 -4.96 116.66 116.34 1x2l n ARG 95 Ca -0.02 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.54 1x2l n ARG 95 Cb 0.46 -1.43 0.07 0.00 -1.16 0.00 0.00 32.46 30.39 1x2l n ARG 95 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1x2l n SER 96 N -0.93 -2.37 -3.83 0.55 7.64 -0.75 -5.01 113.62 108.92 1x2l n SER 96 Ca 0.17 0.49 -0.30 0.00 1.01 0.00 0.00 58.87 60.25 1x2l n SER 96 Cb 0.08 -1.10 0.26 0.00 -1.01 0.00 0.00 64.21 62.44 1x2l n SER 96 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x2l s GLY 97 N -1.44 1.49 -1.44 0.23 0.00 -1.26 -4.85 107.32 100.05 1x2l s GLY 97 Ca 0.59 -0.70 -0.11 0.00 0.00 0.00 0.00 44.72 44.50 1x2l s GLY 97 CO 0.64 0.20 2.61 -1.55 0.00 0.00 0.00 173.10 175.00 1x2l n PRO 98 N -5.17 3.14 -3.70 2.90 -0.04 -1.26 -4.73 135.00 126.14 1x2l n PRO 98 Ca 0.10 -2.16 -0.11 0.00 -0.04 0.00 0.00 63.50 61.29 1x2l n PRO 98 Cb 0.59 -2.87 -0.11 0.00 -0.04 0.00 0.00 33.50 31.07 1x2l n PRO 98 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x2l s SER 99 N 2.75 -0.50 -0.24 3.54 0.01 -1.26 -5.15 113.70 112.86 1x2l s SER 99 Ca 0.59 0.87 -0.03 0.00 1.31 0.00 0.00 55.95 58.70 1x2l s SER 99 Cb 0.16 0.76 0.12 0.00 0.21 0.00 0.00 66.02 67.27 1x2l s SER 99 CO -0.05 -0.19 0.33 -0.94 0.41 0.00 0.00 173.24 172.80 1x2l s SER 100 N 1.30 0.69 0.00 2.44 1.04 -1.26 -5.04 113.70 112.86 1x2l s SER 100 Ca -0.09 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1x2l s SER 100 Cb -0.08 0.86 0.00 0.00 0.10 0.00 0.00 66.02 66.90 1x2l s SER 100 CO -0.11 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.40