#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p1l s HIS 2 N 0.00 1.28 0.11 2.03 3.76 -1.26 -0.81 115.29 120.41 1p1l s HIS 2 Ca 0.00 -0.32 -0.10 0.00 -0.15 0.00 0.00 55.06 54.50 1p1l s HIS 2 Cb 0.00 -0.78 0.00 0.00 1.11 0.00 0.00 32.58 32.91 1p1l s HIS 2 CO 0.00 0.02 0.25 0.54 -0.85 0.00 0.00 174.74 174.70 1p1l s ASN 3 N -0.89 0.05 -0.22 1.40 2.20 -0.84 -1.57 114.94 115.07 1p1l s ASN 3 Ca 0.03 -0.67 -0.07 0.00 -0.94 0.00 0.00 52.86 51.22 1p1l s ASN 3 Cb -0.07 0.38 -0.03 0.00 -2.00 0.00 0.00 41.25 39.53 1p1l s ASN 3 CO 0.01 -0.79 0.05 -0.36 -2.94 0.00 0.00 177.10 173.06 1p1l s PHE 4 N -3.88 3.11 -0.32 1.54 2.99 0.10 -2.68 117.98 118.83 1p1l s PHE 4 Ca 0.08 -0.31 -0.11 0.00 0.00 0.00 0.00 56.93 56.59 1p1l s PHE 4 Cb 0.04 -2.16 -0.02 0.00 0.00 0.00 0.00 43.02 40.89 1p1l s PHE 4 CO -0.08 -0.20 0.20 0.42 -0.00 0.00 0.00 175.22 175.55 1p1l s ILE 5 N 1.14 5.01 -0.18 0.64 1.01 0.56 0.64 121.20 130.02 1p1l s ILE 5 Ca 0.04 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.31 1p1l s ILE 5 Cb -0.14 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1p1l s ILE 5 CO 0.03 0.07 0.33 -0.47 0.00 0.00 0.00 174.94 174.89 1p1l s TYR 6 N 1.69 3.41 0.02 3.97 5.04 0.62 -0.32 117.35 131.78 1p1l s TYR 6 Ca 0.06 0.58 -0.02 0.00 -2.44 0.00 0.00 57.07 55.25 1p1l s TYR 6 Cb -0.17 -2.42 -0.02 0.00 0.35 0.00 0.00 41.96 39.71 1p1l s TYR 6 CO 0.09 0.12 0.01 0.42 -1.34 0.00 0.00 175.55 174.84 1p1l s ILE 7 N 0.87 0.11 0.06 3.14 1.01 -0.66 -1.36 121.20 124.36 1p1l s ILE 7 Ca 0.17 -0.93 0.09 0.00 0.00 0.00 0.00 60.65 59.98 1p1l s ILE 7 Cb -0.14 -0.39 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 1p1l s ILE 7 CO 0.06 -0.51 -0.23 0.42 0.00 0.00 0.00 174.94 174.67 1p1l s THR 8 N -1.64 2.41 0.11 2.92 -4.23 -1.23 0.39 115.64 114.37 1p1l s THR 8 Ca -0.14 -1.38 0.05 0.00 -1.18 0.00 0.00 61.69 59.04 1p1l s THR 8 Cb -0.08 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.73 1p1l s THR 8 CO -0.01 0.30 -0.13 0.00 -0.54 0.00 0.00 174.62 174.24 1p1l s ALA 9 N -0.90 1.38 0.40 3.99 0.00 0.11 -4.68 121.76 122.07 1p1l s ALA 9 Ca 0.13 -1.23 0.17 0.00 0.00 0.00 0.00 51.96 51.03 1p1l s ALA 9 Cb -0.10 -0.06 0.99 0.00 0.00 0.00 0.00 23.12 23.95 1p1l s ALA 9 CO 0.04 0.09 1.94 -1.00 0.00 0.00 0.00 175.76 176.83 1p1l h PRO 10 N 3.65 0.00 -3.71 0.00 0.13 -1.90 0.13 132.00 130.30 1p1l h PRO 10 Ca -0.40 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.66 1p1l h PRO 10 Cb 1.19 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 1p1l h PRO 10 CO 0.49 0.24 -0.16 -1.54 -0.23 0.00 0.00 178.00 176.80 1p1l s SER 11 N -6.76 -0.07 0.17 1.44 1.04 -1.26 -4.64 113.70 103.62 1p1l s SER 11 Ca -0.03 -0.90 -0.11 0.00 0.48 0.00 0.00 55.95 55.38 1p1l s SER 11 Cb 0.14 0.55 0.07 0.00 0.10 0.00 0.00 66.02 66.88 1p1l s SER 11 CO 0.68 -1.08 1.69 0.25 0.98 0.00 0.00 173.24 175.77 1p1l h LEU 12 N 2.32 0.87 -0.29 2.42 5.85 -1.95 -0.93 115.31 123.59 1p1l h LEU 12 Ca -0.28 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.27 1p1l h LEU 12 Cb 1.25 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1p1l h LEU 12 CO 0.39 0.86 0.02 -0.08 -0.34 0.00 0.00 178.44 179.29 1p1l h GLU 13 N 0.84 0.11 -0.23 1.25 4.81 -1.99 0.11 114.58 119.49 1p1l h GLU 13 Ca 0.19 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.27 1p1l h GLU 13 Cb 0.31 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1p1l h GLU 13 CO -0.00 0.07 -0.45 1.49 -0.73 0.00 0.00 179.01 179.38 1p1l h GLU 14 N 0.11 0.57 -0.41 1.92 4.81 -1.93 -1.46 114.58 118.19 1p1l h GLU 14 Ca 0.14 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1p1l h GLU 14 Cb 0.17 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1p1l h GLU 14 CO -0.22 0.91 0.23 0.00 -0.73 0.00 0.00 179.01 179.20 1p1l h ALA 15 N 1.04 0.52 -0.14 2.92 0.00 -0.57 -0.55 119.26 122.48 1p1l h ALA 15 Ca 0.03 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1p1l h ALA 15 Cb 0.97 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1p1l h ALA 15 CO 0.09 0.04 -0.46 0.93 0.00 0.00 0.00 179.25 179.85 1p1l h GLU 16 N 0.53 0.35 -0.40 0.00 5.08 -0.72 -1.17 114.58 118.25 1p1l h GLU 16 Ca 0.14 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1p1l h GLU 16 Cb 0.04 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1p1l h GLU 16 CO -0.02 0.74 0.15 -0.09 -1.00 0.00 0.00 179.01 178.79 1p1l h ARG 17 N 0.28 0.60 -0.49 2.33 2.43 -0.95 -0.28 114.38 118.30 1p1l h ARG 17 Ca 0.02 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 58.99 1p1l h ARG 17 Cb 0.93 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 1p1l h ARG 17 CO 0.08 0.57 -0.02 0.82 -1.51 0.00 0.00 179.97 179.91 1p1l h ILE 18 N 0.50 1.27 -0.32 1.20 2.04 -0.95 -2.34 117.51 118.90 1p1l h ILE 18 Ca 0.13 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 1p1l h ILE 18 Cb 0.20 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1p1l h ILE 18 CO -0.01 0.39 0.16 0.00 0.00 0.00 0.00 178.15 178.69 1p1l h ALA 19 N 0.92 0.42 -0.25 1.87 0.00 -0.99 -2.06 119.26 119.18 1p1l h ALA 19 Ca 0.14 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1p1l h ALA 19 Cb 0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1p1l h ALA 19 CO 0.03 -0.02 -0.19 0.87 0.00 0.00 0.00 179.25 179.94 1p1l h LYS 20 N 0.39 0.43 -0.41 0.00 1.57 -1.02 -1.83 116.57 115.69 1p1l h LYS 20 Ca 0.11 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1p1l h LYS 20 Cb 0.12 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1p1l h LYS 20 CO -0.01 0.61 -0.18 -0.09 -0.57 0.00 0.00 179.45 179.21 1p1l h ARG 21 N 0.40 0.85 -0.57 3.15 2.43 -1.20 -0.36 114.38 119.08 1p1l h ARG 21 Ca 0.07 -0.36 -0.06 0.00 -0.81 0.00 0.00 59.98 58.82 1p1l h ARG 21 Cb 0.56 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1p1l h ARG 21 CO 0.04 1.00 0.13 -0.07 -1.51 0.00 0.00 179.97 179.55 1p1l h LEU 22 N 0.67 0.87 -0.32 3.80 3.38 -1.16 -2.01 115.31 120.54 1p1l h LEU 22 Ca 0.10 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1p1l h LEU 22 Cb 0.73 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1p1l h LEU 22 CO 0.06 0.89 -0.01 -0.07 0.09 0.00 0.00 178.44 179.39 1p1l h LEU 23 N 0.82 0.57 -1.53 1.67 3.38 -1.24 0.10 115.31 119.07 1p1l h LEU 23 Ca 0.18 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1p1l h LEU 23 Cb 0.36 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1p1l h LEU 23 CO 0.00 0.75 0.01 -0.33 0.09 0.00 0.00 178.44 178.96 1p1l h GLU 24 N 0.38 0.31 -0.11 1.13 5.08 -0.97 -1.35 114.58 119.05 1p1l h GLU 24 Ca 0.09 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1p1l h GLU 24 Cb 0.46 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1p1l h GLU 24 CO 0.02 0.33 0.00 1.63 -1.00 0.00 0.00 179.01 179.99 1p1l n LYS 25 N -4.37 1.68 -3.27 2.33 4.76 -0.76 -4.93 118.16 113.60 1p1l n LYS 25 Ca 0.00 -1.02 -0.23 0.00 -2.87 0.00 0.00 58.31 54.20 1p1l n LYS 25 Cb 0.18 -1.42 0.06 0.00 -1.84 0.00 0.00 35.03 32.00 1p1l n LYS 25 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1p1l n LYS 26 N 0.23 -6.26 0.00 1.97 4.76 -0.51 -4.88 118.16 113.48 1p1l n LYS 26 Ca 0.17 0.86 0.11 0.00 -2.87 0.00 0.00 58.31 56.59 1p1l n LYS 26 Cb 0.33 -5.78 0.12 0.00 -1.84 0.00 0.00 35.03 27.86 1p1l n LYS 26 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1p1l n LEU 27 N -4.42 1.06 -3.62 -0.35 4.77 -0.03 -4.53 117.00 109.88 1p1l n LEU 27 Ca -0.06 -0.35 -0.10 0.00 -0.03 0.00 0.00 56.01 55.47 1p1l n LEU 27 Cb 0.59 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1p1l n LEU 27 CO 0.55 0.23 0.37 0.00 -1.33 0.00 0.00 177.39 177.20 1p1l s ALA 28 N -2.79 -1.30 -0.14 -1.18 0.00 -1.22 -4.75 121.76 110.37 1p1l s ALA 28 Ca 0.14 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.26 1p1l s ALA 28 Cb 0.18 0.86 -0.14 0.00 0.00 0.00 0.00 23.12 24.02 1p1l s ALA 28 CO 0.69 -0.84 -0.04 0.00 0.00 0.00 0.00 175.76 175.57 1p1l n ALA 29 N -0.38 1.67 -3.16 0.00 0.00 -0.68 -4.48 120.51 113.48 1p1l n ALA 29 Ca -0.12 -0.79 -0.12 0.00 0.00 0.00 0.00 53.44 52.41 1p1l n ALA 29 Cb 0.63 0.04 -0.10 0.00 0.00 0.00 0.00 19.45 20.02 1p1l n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p1l s VAL 31 N -1.02 0.30 -0.14 0.00 1.01 -1.26 -0.96 120.40 118.34 1p1l s VAL 31 Ca -0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 1p1l s VAL 31 Cb -0.05 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 1p1l s VAL 31 CO 0.02 0.17 -0.07 0.20 0.00 0.00 0.00 175.10 175.41 1p1l s ASN 32 N 0.89 4.50 0.01 3.32 0.02 -0.29 -4.94 114.94 118.44 1p1l s ASN 32 Ca -0.10 -0.19 0.07 0.00 -1.02 0.00 0.00 52.86 51.62 1p1l s ASN 32 Cb -0.13 -1.66 -0.02 0.00 0.02 0.00 0.00 41.25 39.46 1p1l s ASN 32 CO -0.01 0.19 -0.22 -0.63 0.02 0.00 0.00 177.10 176.45 1p1l s ILE 33 N 0.24 1.72 -0.08 0.60 1.01 -1.26 -0.72 121.20 122.71 1p1l s ILE 33 Ca -0.05 -1.06 -0.27 0.00 0.00 0.00 0.00 60.65 59.28 1p1l s ILE 33 Cb -0.14 -1.45 0.06 0.00 0.01 0.00 0.00 42.46 40.93 1p1l s ILE 33 CO 0.04 0.37 0.61 0.72 0.00 0.00 0.00 174.94 176.68 1p1l s PHE 34 N -0.63 -0.59 0.43 3.97 -0.12 -0.88 -4.99 117.98 115.17 1p1l s PHE 34 Ca 0.08 1.09 -0.24 0.00 -0.05 0.00 0.00 56.93 57.81 1p1l s PHE 34 Cb -0.09 0.33 -0.08 0.00 -0.63 0.00 0.00 43.02 42.55 1p1l s PHE 34 CO 0.00 -0.52 1.14 -1.25 -0.05 0.00 0.00 175.22 174.54 1p1l s PRO 35 N -0.94 3.94 0.16 1.99 0.04 -1.26 -0.04 135.00 138.89 1p1l s PRO 35 Ca -0.09 1.73 -0.08 0.00 0.04 0.00 0.00 61.00 62.60 1p1l s PRO 35 Cb -0.02 -2.51 -0.01 0.00 0.04 0.00 0.00 34.50 32.00 1p1l s PRO 35 CO 0.07 -0.39 0.25 0.96 0.04 0.00 0.00 177.00 177.94 1p1l s ILE 36 N -1.54 0.07 -0.13 0.56 -4.36 -0.23 -4.82 121.20 110.75 1p1l s ILE 36 Ca 0.60 -1.47 0.02 0.00 -0.26 0.00 0.00 60.65 59.54 1p1l s ILE 36 Cb -0.28 -1.89 0.00 0.00 1.25 0.00 0.00 42.46 41.55 1p1l s ILE 36 CO 0.34 -0.31 -0.20 -0.75 0.24 0.00 0.00 174.94 174.26 1p1l s LYS 37 N -3.98 3.11 0.09 0.37 2.20 -1.26 -0.89 119.74 119.37 1p1l s LYS 37 Ca 0.19 -0.82 0.06 0.00 -0.36 0.00 0.00 55.97 55.03 1p1l s LYS 37 Cb 0.04 -2.47 -0.04 0.00 -1.51 0.00 0.00 37.83 33.85 1p1l s LYS 37 CO 0.01 0.06 -0.07 -1.12 -0.36 0.00 0.00 175.35 173.87 1p1l s SER 38 N 0.66 4.60 -0.05 1.43 0.01 0.78 -4.97 113.70 116.16 1p1l s SER 38 Ca -0.10 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 56.88 1p1l s SER 38 Cb -0.16 -0.97 0.02 0.00 0.21 0.00 0.00 66.02 65.12 1p1l s SER 38 CO 0.02 0.19 -0.05 -0.36 0.41 0.00 0.00 173.24 173.45 1p1l s PHE 39 N -1.21 0.88 0.03 2.43 0.40 -1.26 -1.21 117.98 118.04 1p1l s PHE 39 Ca 0.22 -0.28 -0.16 0.00 -0.60 0.00 0.00 56.93 56.12 1p1l s PHE 39 Cb -0.11 -0.76 0.03 0.00 0.51 0.00 0.00 43.02 42.68 1p1l s PHE 39 CO 0.14 -0.23 0.35 -0.59 0.70 0.00 0.00 175.22 175.59 1p1l s PHE 40 N 1.01 -0.18 -0.24 0.36 -0.12 -0.21 -4.96 117.98 113.63 1p1l s PHE 40 Ca -0.09 0.13 -0.22 0.00 -0.05 0.00 0.00 56.93 56.70 1p1l s PHE 40 Cb -0.14 0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.38 1p1l s PHE 40 CO -0.00 -0.51 0.69 -0.46 -0.05 0.00 0.00 175.22 174.89 1p1l s TRP 41 N -2.29 3.30 -0.10 3.49 -0.11 -1.26 -0.37 118.94 121.61 1p1l s TRP 41 Ca -0.07 0.93 -0.04 0.00 1.22 0.00 0.00 56.10 58.14 1p1l s TRP 41 Cb -0.02 -2.90 0.05 0.00 -1.50 0.00 0.00 33.47 29.10 1p1l s TRP 41 CO -0.01 -0.33 0.21 -0.46 -4.62 0.00 0.00 176.95 171.74 1p1l s TRP 42 N 2.55 -0.29 -1.18 5.86 -0.11 0.23 -4.94 118.94 121.06 1p1l s TRP 42 Ca 0.29 0.72 -0.17 0.00 1.22 0.00 0.00 56.10 58.16 1p1l s TRP 42 Cb -0.15 -0.03 -0.01 0.00 -1.50 0.00 0.00 33.47 31.77 1p1l s TRP 42 CO 0.08 -0.24 0.74 0.39 -4.62 0.00 0.00 176.95 173.30 1p1l n GLU 43 N 4.53 -1.67 -1.06 5.86 1.02 -1.26 -2.81 120.64 125.25 1p1l n GLU 43 Ca -0.20 0.46 -0.02 0.00 -0.02 0.00 0.00 57.16 57.37 1p1l n GLU 43 Cb 0.52 -4.22 -0.01 0.00 -0.02 0.00 0.00 31.44 27.71 1p1l n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p1l n GLY 44 N -1.72 0.47 3.50 0.62 0.00 -1.26 -5.00 105.19 101.81 1p1l n GLY 44 Ca -0.13 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 1p1l n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p1l s LYS 45 N -1.24 1.35 -0.02 1.61 -2.85 -1.12 -5.14 119.74 112.33 1p1l s LYS 45 Ca 0.00 -0.77 -0.22 0.00 -1.00 0.00 0.00 55.97 53.98 1p1l s LYS 45 Cb 0.00 0.53 -0.05 0.00 -2.06 0.00 0.00 37.83 36.26 1p1l s LYS 45 CO 0.00 -0.58 0.65 0.42 0.10 0.00 0.00 175.35 175.94 1p1l s ILE 46 N -3.84 4.95 0.03 3.79 1.01 -1.26 -0.60 121.20 125.28 1p1l s ILE 46 Ca 0.07 1.35 0.09 0.00 0.00 0.00 0.00 60.65 62.16 1p1l s ILE 46 Cb -0.01 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 1p1l s ILE 46 CO -0.05 0.35 -0.26 -1.61 0.00 0.00 0.00 174.94 173.37 1p1l s GLU 47 N 0.21 1.81 0.04 2.79 2.02 0.50 -4.94 118.70 121.12 1p1l s GLU 47 Ca 0.34 -1.06 0.09 0.00 0.02 0.00 0.00 54.97 54.35 1p1l s GLU 47 Cb -0.18 -1.94 -0.03 0.00 0.10 0.00 0.00 34.13 32.08 1p1l s GLU 47 CO 0.18 0.51 -0.25 0.00 0.02 0.00 0.00 175.26 175.72 1p1l s ALA 48 N -0.77 2.11 0.01 5.21 0.00 -1.26 -1.05 121.76 126.02 1p1l s ALA 48 Ca 0.11 -1.19 -0.26 0.00 0.00 0.00 0.00 51.96 50.62 1p1l s ALA 48 Cb -0.10 -0.45 0.06 0.00 0.00 0.00 0.00 23.12 22.63 1p1l s ALA 48 CO 0.02 0.50 0.58 0.00 0.00 0.00 0.00 175.76 176.85 1p1l s ALA 49 N -0.77 -1.50 0.09 0.00 0.00 -0.35 -4.99 121.76 114.24 1p1l s ALA 49 Ca 0.10 0.89 -0.21 0.00 0.00 0.00 0.00 51.96 52.75 1p1l s ALA 49 Cb -0.10 0.22 -0.07 0.00 0.00 0.00 0.00 23.12 23.18 1p1l s ALA 49 CO 0.02 -0.44 0.63 0.99 0.00 0.00 0.00 175.76 176.95 1p1l s THR 50 N -1.87 4.67 0.13 0.00 2.01 -1.26 -0.16 115.64 119.16 1p1l s THR 50 Ca -0.08 1.35 0.01 0.00 0.31 0.00 0.00 61.69 63.28 1p1l s THR 50 Cb -0.01 -3.97 -0.00 0.00 0.01 0.00 0.00 72.50 68.53 1p1l s THR 50 CO 0.03 0.53 0.14 -0.62 -0.69 0.00 0.00 174.62 174.01 1p1l n GLU 51 N 1.82 0.21 -4.28 4.92 1.02 -0.07 -4.88 120.64 119.38 1p1l n GLU 51 Ca -0.09 -1.13 -0.23 0.00 -0.02 0.00 0.00 57.16 55.69 1p1l n GLU 51 Cb 0.50 1.01 -0.17 0.00 -0.02 0.00 0.00 31.44 32.76 1p1l n GLU 51 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1p1l s PHE 52 N -3.37 1.19 0.29 -0.32 0.40 0.44 -1.07 117.98 115.55 1p1l s PHE 52 Ca 0.13 -0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 55.91 1p1l s PHE 52 Cb 0.00 -0.95 -0.07 0.00 0.51 0.00 0.00 43.02 42.51 1p1l s PHE 52 CO 0.09 -0.29 0.64 0.00 0.70 0.00 0.00 175.22 176.36 1p1l s ALA 53 N 1.00 3.46 -0.03 5.36 0.00 0.94 0.09 121.76 132.59 1p1l s ALA 53 Ca -0.09 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 51.69 1p1l s ALA 53 Cb -0.15 -2.56 0.01 0.00 0.00 0.00 0.00 23.12 20.42 1p1l s ALA 53 CO -0.00 0.34 -0.08 -1.64 0.00 0.00 0.00 175.76 174.38 1p1l s MET 54 N -3.12 0.93 -0.29 0.00 -1.94 0.16 -2.07 119.30 112.97 1p1l s MET 54 Ca 0.50 -0.28 -0.00 0.00 -1.71 0.00 0.00 55.69 54.19 1p1l s MET 54 Cb -0.11 -0.87 0.05 0.00 2.01 0.00 0.00 34.83 35.91 1p1l s MET 54 CO 0.23 0.09 -0.03 0.42 -0.01 0.00 0.00 175.02 175.72 1p1l s ILE 55 N 0.26 2.76 -0.30 2.53 1.01 0.10 -1.66 121.20 125.91 1p1l s ILE 55 Ca -0.04 -1.47 -0.13 0.00 0.00 0.00 0.00 60.65 59.02 1p1l s ILE 55 Cb -0.09 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 1p1l s ILE 55 CO 0.00 -0.09 0.26 -0.69 0.00 0.00 0.00 174.94 174.42 1p1l s VAL 56 N 1.21 5.26 -0.24 2.92 1.01 0.56 -1.14 120.40 129.97 1p1l s VAL 56 Ca -0.06 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 61.96 1p1l s VAL 56 Cb -0.20 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1p1l s VAL 56 CO -0.02 0.14 0.26 -0.54 0.00 0.00 0.00 175.10 174.93 1p1l s LYS 57 N 1.85 4.07 0.09 2.72 1.02 -0.13 -0.32 119.74 129.04 1p1l s LYS 57 Ca 0.09 -0.11 -0.07 0.00 0.02 0.00 0.00 55.97 55.90 1p1l s LYS 57 Cb -0.16 -3.57 0.03 0.00 -0.52 0.00 0.00 37.83 33.60 1p1l s LYS 57 CO 0.11 -0.04 0.36 -2.37 -0.92 0.00 0.00 175.35 172.48 1p1l n THR 58 N 4.52 0.00 -3.05 2.17 5.66 -1.09 -1.69 114.28 120.80 1p1l n THR 58 Ca -0.12 -0.25 -0.38 0.00 -3.05 0.00 0.00 64.05 60.25 1p1l n THR 58 Cb 0.52 0.30 -0.06 0.00 -1.55 0.00 0.00 70.33 69.54 1p1l n THR 58 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1p1l s ARG 59 N -2.02 4.39 0.40 1.09 0.52 -1.26 -1.99 118.95 120.08 1p1l s ARG 59 Ca 0.08 1.00 0.14 0.00 -0.52 0.00 0.00 55.73 56.42 1p1l s ARG 59 Cb -0.01 -3.05 0.98 0.00 0.52 0.00 0.00 34.95 33.38 1p1l s ARG 59 CO 0.03 0.48 1.90 0.77 0.02 0.00 0.00 175.30 178.49 1p1l h SER 60 N 3.84 0.48 0.35 0.23 0.02 -1.25 0.32 113.55 117.54 1p1l h SER 60 Ca -0.48 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1p1l h SER 60 Cb 1.20 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1p1l h SER 60 CO 0.65 0.24 0.00 -1.84 -1.14 0.00 0.00 176.83 174.75 1p1l n GLU 61 N -4.51 0.07 0.00 3.45 0.28 -1.26 -1.93 120.64 116.75 1p1l n GLU 61 Ca 0.16 0.24 0.13 0.00 -0.16 0.00 0.00 57.16 57.52 1p1l n GLU 61 Cb 0.52 -1.50 0.27 0.00 1.43 0.00 0.00 31.44 32.16 1p1l n GLU 61 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1p1l n LYS 62 N -1.42 1.26 -0.20 3.44 4.76 0.10 -4.51 118.16 121.59 1p1l n LYS 62 Ca 0.04 -0.88 0.00 0.00 -2.87 0.00 0.00 58.31 54.61 1p1l n LYS 62 Cb 0.13 -1.48 0.10 0.00 -1.84 0.00 0.00 35.03 31.93 1p1l n LYS 62 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1p1l h PHE 63 N 2.14 -0.02 -0.67 2.13 3.57 -1.49 -2.00 116.94 120.59 1p1l h PHE 63 Ca 0.00 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1p1l h PHE 63 Cb 0.63 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 1p1l h PHE 63 CO 0.00 -0.15 0.42 0.00 -2.23 0.00 0.00 178.31 176.36 1p1l h ALA 64 N 1.54 0.87 -0.38 2.41 0.00 -1.84 0.57 119.26 122.43 1p1l h ALA 64 Ca 0.31 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 1p1l h ALA 64 Cb 0.50 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1p1l h ALA 64 CO -0.50 0.20 -0.20 0.93 0.00 0.00 0.00 179.25 179.69 1p1l h GLU 65 N 0.84 0.81 -0.21 0.00 3.07 -1.77 -1.27 114.58 116.05 1p1l h GLU 65 Ca 0.26 -0.36 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 1p1l h GLU 65 Cb -0.01 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1p1l h GLU 65 CO -0.09 0.99 0.08 0.28 -1.40 0.00 0.00 179.01 178.86 1p1l h VAL 66 N 0.61 1.17 0.13 3.13 2.07 -1.19 0.05 116.25 122.23 1p1l h VAL 66 Ca 0.08 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.08 1p1l h VAL 66 Cb 0.75 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 1p1l h VAL 66 CO 0.06 0.17 -0.33 -0.09 0.02 0.00 0.00 177.57 177.41 1p1l h ARG 67 N 0.18 -0.54 -0.26 1.57 2.43 -0.82 -0.02 114.38 116.92 1p1l h ARG 67 Ca 0.07 0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 1p1l h ARG 67 Cb 0.20 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1p1l h ARG 67 CO -0.00 -0.36 -0.21 -0.44 -1.51 0.00 0.00 179.97 177.45 1p1l h ASP 68 N -0.56 0.48 -0.37 -3.80 3.32 -1.18 -0.87 116.42 113.44 1p1l h ASP 68 Ca 0.03 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 1p1l h ASP 68 Cb 0.58 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1p1l h ASP 68 CO -0.18 0.69 -0.07 -0.08 -1.72 0.00 0.00 179.24 177.88 1p1l h GLU 69 N 0.43 0.70 -0.02 3.56 4.57 -0.71 -1.95 114.58 121.16 1p1l h GLU 69 Ca 0.07 -0.26 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1p1l h GLU 69 Cb 0.60 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1p1l h GLU 69 CO 0.04 0.84 0.00 0.28 -1.18 0.00 0.00 179.01 178.99 1p1l h VAL 70 N 0.50 1.25 -0.90 0.32 2.07 -0.82 -3.04 116.25 115.63 1p1l h VAL 70 Ca 0.09 -0.75 0.13 0.00 0.82 0.00 0.00 66.70 67.00 1p1l h VAL 70 Cb 0.58 1.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.98 1p1l h VAL 70 CO 0.03 0.20 0.58 0.50 0.02 0.00 0.00 177.57 178.90 1p1l h LYS 71 N -0.26 0.74 0.00 1.57 3.64 -1.14 0.80 116.57 121.92 1p1l h LYS 71 Ca 0.01 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1p1l h LYS 71 Cb 0.32 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1p1l h LYS 71 CO 0.00 0.49 -0.17 0.00 -2.27 0.00 0.00 179.45 177.50 1p1l h ALA 72 N 1.58 1.12 -0.01 5.00 0.00 -1.24 -3.21 119.26 122.51 1p1l h ALA 72 Ca 0.44 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1p1l h ALA 72 Cb 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1p1l h ALA 72 CO -0.21 0.22 -0.06 0.00 0.00 0.00 0.00 179.25 179.21 1p1l n MET 73 N -3.47 1.12 -2.56 0.00 0.00 -0.63 -5.05 117.12 106.53 1p1l n MET 73 Ca -0.01 -0.63 -0.36 0.00 0.00 0.00 0.00 57.70 56.69 1p1l n MET 73 Cb 0.34 -1.02 -0.04 0.00 0.00 0.00 0.00 33.22 32.50 1p1l n MET 73 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 1p1l s HIS 74 N -0.71 3.30 0.30 3.17 5.04 0.18 -4.97 115.29 121.60 1p1l s HIS 74 Ca 0.05 1.65 0.12 0.00 -1.54 0.00 0.00 55.06 55.35 1p1l s HIS 74 Cb 0.04 -3.11 0.51 0.00 0.04 0.00 0.00 32.58 30.07 1p1l s HIS 74 CO 0.10 -0.56 1.70 0.77 -2.34 0.00 0.00 174.74 174.41 1p1l h SER 75 N 2.54 0.00 -3.76 9.88 0.02 -1.91 -3.45 113.55 116.87 1p1l h SER 75 Ca -0.48 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 59.98 1p1l h SER 75 Cb 1.21 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 1p1l h SER 75 CO 0.62 0.51 0.25 -0.31 -1.14 0.00 0.00 176.83 176.77 1p1l s TYR 76 N -3.80 3.67 0.18 3.45 4.12 -1.26 -4.97 117.35 118.75 1p1l s TYR 76 Ca -0.02 1.62 -0.03 0.00 0.02 0.00 0.00 57.07 58.66 1p1l s TYR 76 Cb 0.13 -2.80 0.09 0.00 -1.52 0.00 0.00 41.96 37.86 1p1l s TYR 76 CO 0.74 0.25 1.48 1.15 0.02 0.00 0.00 175.55 179.20 1p1l h THR 77 N 2.65 1.33 -2.43 -0.71 2.02 -1.97 -3.36 112.91 110.44 1p1l h THR 77 Ca -0.47 -1.85 -0.59 0.00 0.77 0.00 0.00 66.41 64.27 1p1l h THR 77 Cb 1.19 1.82 -0.40 0.00 -1.74 0.00 0.00 68.15 69.03 1p1l h THR 77 CO 0.65 0.57 -0.84 0.41 0.37 0.00 0.00 175.52 176.68 1p1l n THR 78 N -3.94 0.24 -2.01 3.16 -1.04 -1.26 -5.12 114.28 104.30 1p1l n THR 78 Ca -0.04 -4.23 -0.33 0.00 -2.04 0.00 0.00 64.05 57.41 1p1l n THR 78 Cb 0.62 -1.94 0.02 0.00 -1.82 0.00 0.00 70.33 67.22 1p1l n THR 78 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1p1l s PRO 79 N -1.06 3.15 -0.12 -2.82 0.04 -1.26 -4.98 135.00 127.95 1p1l s PRO 79 Ca 0.33 1.38 -0.29 0.00 0.04 0.00 0.00 61.00 62.45 1p1l s PRO 79 Cb 0.07 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 1p1l s PRO 79 CO -0.14 -0.97 1.11 0.00 0.04 0.00 0.00 177.00 177.04 1p1l s ILE 81 N 2.54 -0.19 -0.06 0.00 1.01 -1.25 -3.52 121.20 119.73 1p1l s ILE 81 Ca 0.51 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 60.35 1p1l s ILE 81 Cb -0.20 -0.96 -0.00 0.00 0.01 0.00 0.00 42.46 41.31 1p1l s ILE 81 CO 0.16 -0.66 -0.18 0.00 0.00 0.00 0.00 174.94 174.26 1p1l s ALA 83 N 0.15 3.59 -0.13 0.00 0.00 -1.26 -0.28 121.76 123.84 1p1l s ALA 83 Ca -0.08 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1p1l s ALA 83 Cb -0.13 -2.44 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 1p1l s ALA 83 CO 0.04 0.17 -0.15 0.42 0.00 0.00 0.00 175.76 176.24 1p1l s ILE 84 N 0.13 2.87 0.33 0.00 1.01 0.21 -4.95 121.20 120.80 1p1l s ILE 84 Ca 0.20 -0.72 -0.28 0.00 0.00 0.00 0.00 60.65 59.85 1p1l s ILE 84 Cb -0.14 -2.19 -0.09 0.00 0.01 0.00 0.00 42.46 40.04 1p1l s ILE 84 CO 0.07 0.53 1.13 -2.16 0.00 0.00 0.00 174.94 174.52 1p1l s PRO 85 N 0.42 4.42 -0.31 2.79 0.04 -1.26 0.02 135.00 141.12 1p1l s PRO 85 Ca -0.11 1.83 -0.11 0.00 0.04 0.00 0.00 61.00 62.64 1p1l s PRO 85 Cb -0.16 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 1p1l s PRO 85 CO 0.05 0.00 0.20 0.42 0.04 0.00 0.00 177.00 177.71 1p1l s ILE 86 N -1.28 5.13 0.01 0.56 1.01 -0.61 -4.85 121.20 121.17 1p1l s ILE 86 Ca 0.49 -0.09 -0.19 0.00 0.00 0.00 0.00 60.65 60.86 1p1l s ILE 86 Cb -0.31 -3.54 -0.23 0.00 0.01 0.00 0.00 42.46 38.39 1p1l s ILE 86 CO 0.40 0.13 1.11 -0.08 0.00 0.00 0.00 174.94 176.51 1p1l h GLU 87 N 8.40 0.43 -3.59 2.79 4.81 -1.96 -3.43 114.58 122.04 1p1l h GLU 87 Ca -0.33 -0.45 -0.07 0.00 -0.13 0.00 0.00 59.36 58.38 1p1l h GLU 87 Cb 1.17 0.12 -0.13 0.00 0.63 0.00 0.00 28.75 30.55 1p1l h GLU 87 CO 0.59 1.10 -0.19 1.03 -0.73 0.00 0.00 179.01 180.82 1p1l s ARG 88 N -3.25 1.06 -0.04 1.92 0.52 -1.26 -5.10 118.95 112.80 1p1l s ARG 88 Ca -0.13 -0.89 -0.30 0.00 -0.52 0.00 0.00 55.73 53.90 1p1l s ARG 88 Cb 0.04 0.42 0.11 0.00 0.52 0.00 0.00 34.95 36.04 1p1l s ARG 88 CO 0.82 -0.40 0.93 0.20 0.02 0.00 0.00 175.30 176.87 1p1l s GLY 89 N -2.86 -0.43 -0.02 -3.53 0.00 -1.26 -5.11 107.32 94.11 1p1l s GLY 89 Ca 0.07 1.19 -0.35 0.00 0.00 0.00 0.00 44.72 45.63 1p1l s GLY 89 CO -0.08 0.44 1.76 -0.10 0.00 0.00 0.00 173.10 175.11 1p1l n LEU 90 N -0.11 3.20 -0.12 0.66 7.94 -1.26 -4.84 117.00 122.47 1p1l n LEU 90 Ca -0.08 1.02 -0.05 0.00 -1.11 0.00 0.00 56.01 55.79 1p1l n LEU 90 Cb 0.61 -1.37 0.02 0.00 0.53 0.00 0.00 43.42 43.21 1p1l n LEU 90 CO 0.11 -0.19 0.77 0.50 -1.11 0.00 0.00 177.39 177.47 1p1l h LYS 91 N 7.89 -0.03 -0.84 1.96 3.64 -1.99 -0.71 116.57 126.49 1p1l h LYS 91 Ca -0.47 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.05 1p1l h LYS 91 Cb 1.27 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 33.01 1p1l h LYS 91 CO 0.92 -0.02 0.44 0.93 -2.27 0.00 0.00 179.45 179.45 1p1l h GLU 92 N -0.03 0.62 -0.14 1.90 3.07 -1.99 0.20 114.58 118.20 1p1l h GLU 92 Ca 0.20 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.95 1p1l h GLU 92 Cb 0.33 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1p1l h GLU 92 CO -0.44 0.41 -0.19 0.35 -1.40 0.00 0.00 179.01 177.74 1p1l h PHE 93 N 0.64 0.46 -0.51 4.33 3.57 -1.65 -2.48 116.94 121.30 1p1l h PHE 93 Ca 0.45 -0.15 -0.06 0.00 3.53 0.00 0.00 57.97 61.74 1p1l h PHE 93 Cb 0.62 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1p1l h PHE 93 CO -0.09 0.80 0.08 -0.07 -2.23 0.00 0.00 178.31 176.80 1p1l h LEU 94 N -0.01 0.76 -1.05 0.59 3.38 -0.62 -1.95 115.31 116.40 1p1l h LEU 94 Ca 0.02 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1p1l h LEU 94 Cb 0.75 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1p1l h LEU 94 CO 0.04 0.78 -0.15 0.44 0.09 0.00 0.00 178.44 179.64 1p1l h ASP 95 N 0.77 0.49 -0.57 -0.43 3.32 -0.63 -1.89 116.42 117.49 1p1l h ASP 95 Ca 0.16 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 1p1l h ASP 95 Cb 0.35 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1p1l h ASP 95 CO 0.01 0.67 0.12 -0.25 -1.72 0.00 0.00 179.24 178.06 1p1l h TRP 96 N 0.46 0.97 -0.06 4.55 7.01 -0.92 -1.45 115.95 126.52 1p1l h TRP 96 Ca 0.08 -0.12 0.01 0.00 2.11 0.00 0.00 58.89 60.97 1p1l h TRP 96 Cb 0.53 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.31 1p1l h TRP 96 CO 0.02 0.84 -0.01 0.82 -2.79 0.00 0.00 178.44 177.32 1p1l h ILE 97 N 0.82 0.95 -0.34 2.65 2.04 -0.89 -1.54 117.51 121.20 1p1l h ILE 97 Ca 0.18 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.06 1p1l h ILE 97 Cb 0.37 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1p1l h ILE 97 CO 0.01 0.00 0.14 0.44 0.00 0.00 0.00 178.15 178.73 1p1l h ASP 98 N 0.01 0.17 0.13 1.72 3.32 -1.12 -0.68 116.42 119.97 1p1l h ASP 98 Ca 0.03 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1p1l h ASP 98 Cb 0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1p1l h ASP 98 CO -0.05 0.14 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.12 1p1l h GLU 99 N 0.29 0.06 -0.04 3.56 5.08 -1.14 0.82 114.58 123.22 1p1l h GLU 99 Ca 0.15 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 1p1l h GLU 99 Cb 0.10 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.35 1p1l h GLU 99 CO -0.14 0.21 -0.44 1.15 -1.00 0.00 0.00 179.01 178.80 1p1l h THR 100 N 0.06 1.43 -0.00 1.13 2.02 -0.50 -3.27 112.91 113.78 1p1l h THR 100 Ca 0.01 -1.89 0.00 0.00 0.77 0.00 0.00 66.41 65.30 1p1l h THR 100 Cb 0.31 2.46 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 1p1l h THR 100 CO 0.02 0.55 -0.21 1.33 0.37 0.00 0.00 175.52 177.58 1p1l n VAL 101 N -4.33 0.00 -0.02 3.16 0.24 -0.33 -4.87 118.33 112.17 1p1l n VAL 101 Ca -0.09 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1p1l n VAL 101 Cb 0.58 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 1p1l n VAL 101 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07