#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s2l n LYS 2 N 0.00 2.35 -2.52 0.03 -0.00 -1.26 -4.91 118.16 111.84 1s2l n LYS 2 Ca 0.00 0.85 -0.41 0.00 -0.00 0.00 0.00 58.31 58.75 1s2l n LYS 2 Cb 0.00 -2.65 -0.04 0.00 -0.00 0.00 0.00 35.03 32.34 1s2l n LYS 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s2l s ALA 3 N 1.36 3.37 -0.32 0.58 0.00 -1.26 -4.90 121.76 120.59 1s2l s ALA 3 Ca 0.79 0.81 0.22 0.00 0.00 0.00 0.00 51.96 53.78 1s2l s ALA 3 Cb -0.62 -3.34 1.09 0.00 0.00 0.00 0.00 23.12 20.24 1s2l s ALA 3 CO 0.38 -0.19 1.68 0.28 0.00 0.00 0.00 175.76 177.90 1s2l n VAL 4 N 2.29 0.95 -3.55 0.00 0.31 -1.26 -4.75 118.33 112.33 1s2l n VAL 4 Ca 0.02 0.52 -0.08 0.00 -0.01 0.00 0.00 64.34 64.79 1s2l n VAL 4 Cb 0.46 -1.49 -0.03 0.00 -0.91 0.00 0.00 33.84 31.87 1s2l n VAL 4 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1s2l s VAL 5 N -3.45 0.00 0.02 2.52 -7.23 -1.26 -5.13 120.40 105.87 1s2l s VAL 5 Ca 0.00 0.00 -0.37 0.00 -1.81 0.00 0.00 61.98 59.81 1s2l s VAL 5 Cb 0.07 -1.00 -0.16 0.00 0.56 0.00 0.00 36.38 35.86 1s2l s VAL 5 CO 0.28 0.00 1.47 -2.65 -0.31 0.00 0.00 175.10 173.89 1s2l n PRO 6 N 0.14 1.31 -0.02 4.82 -0.02 -1.26 -4.87 135.00 135.10 1s2l n PRO 6 Ca -0.07 0.47 -0.02 0.00 -2.02 0.00 0.00 63.50 61.86 1s2l n PRO 6 Cb 0.60 -2.15 -0.04 0.00 -0.02 0.00 0.00 33.50 31.89 1s2l n PRO 6 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1s2l n THR 7 N 3.14 0.29 -1.77 3.45 -1.04 -1.08 -4.41 114.28 112.86 1s2l n THR 7 Ca 0.20 -0.20 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1s2l n THR 7 Cb 0.19 -0.66 -0.03 0.00 -1.82 0.00 0.00 70.33 68.02 1s2l n THR 7 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1s2l s GLY 8 N -3.46 1.49 -0.30 3.41 0.00 -0.38 -4.63 107.32 103.45 1s2l s GLY 8 Ca -0.02 1.56 0.01 0.00 0.00 0.00 0.00 44.72 46.26 1s2l s GLY 8 CO 0.21 2.76 0.05 0.54 0.00 0.00 0.00 173.10 176.66 1s2l s LYS 9 N 0.71 1.11 0.03 2.90 1.02 -1.26 0.82 119.74 125.08 1s2l s LYS 9 Ca 0.71 -1.25 -0.22 0.00 0.02 0.00 0.00 55.97 55.23 1s2l s LYS 9 Cb -0.49 -2.46 -0.06 0.00 -0.52 0.00 0.00 37.83 34.31 1s2l s LYS 9 CO 0.36 -0.88 0.66 0.42 -0.92 0.00 0.00 175.35 175.00 1s2l s ILE 10 N 1.38 4.79 -0.41 2.17 -1.09 0.57 0.07 121.20 128.68 1s2l s ILE 10 Ca 0.06 1.41 -0.08 0.00 -2.23 0.00 0.00 60.65 59.81 1s2l s ILE 10 Cb -0.18 -4.01 0.08 0.00 -1.58 0.00 0.00 42.46 36.78 1s2l s ILE 10 CO -0.16 0.42 0.24 -0.47 -1.23 0.00 0.00 174.94 173.74 1s2l s TYR 11 N -0.31 3.38 -0.50 3.97 5.04 -0.85 -0.01 117.35 128.06 1s2l s TYR 11 Ca 0.34 -1.71 -0.24 0.00 -2.44 0.00 0.00 57.07 53.01 1s2l s TYR 11 Cb -0.19 -2.97 0.03 0.00 0.35 0.00 0.00 41.96 39.18 1s2l s TYR 11 CO 0.20 -0.87 0.90 -1.17 -1.34 0.00 0.00 175.55 173.26 1s2l s LEU 12 N 1.36 4.12 -0.25 6.97 2.96 -0.05 -1.39 118.68 132.41 1s2l s LEU 12 Ca 0.03 -0.18 -0.12 0.00 -0.22 0.00 0.00 54.13 53.64 1s2l s LEU 12 Cb -0.23 -2.96 -0.05 0.00 0.50 0.00 0.00 46.19 43.46 1s2l s LEU 12 CO 0.01 -1.10 0.26 -0.83 -1.32 0.00 0.00 176.35 173.36 1s2l s GLY 13 N 2.52 1.96 -0.16 7.98 0.00 0.53 -4.37 107.32 115.77 1s2l s GLY 13 Ca 0.32 -0.88 -0.29 0.00 0.00 0.00 0.00 44.72 43.87 1s2l s GLY 13 CO 0.22 0.68 0.86 -0.45 0.00 0.00 0.00 173.10 174.40 1s2l s SER 14 N 1.42 -0.54 0.79 1.64 0.15 -1.26 -1.26 113.70 114.64 1s2l s SER 14 Ca 0.11 0.76 -0.11 0.00 0.70 0.00 0.00 55.95 57.41 1s2l s SER 14 Cb -0.15 0.68 0.07 0.00 -1.71 0.00 0.00 66.02 64.91 1s2l s SER 14 CO 0.08 -0.38 1.09 -2.84 1.20 0.00 0.00 173.24 172.39 1s2l s PRO 15 N -0.64 2.10 0.26 5.44 0.02 -1.26 -4.98 135.00 135.94 1s2l s PRO 15 Ca -0.04 1.02 0.01 0.00 0.02 0.00 0.00 61.00 62.02 1s2l s PRO 15 Cb -0.02 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.56 1s2l s PRO 15 CO 0.03 -1.71 0.11 0.12 -0.33 0.00 0.00 177.00 175.22 1s2l s PHE 16 N -2.95 1.50 -0.42 6.54 5.36 -1.26 -4.62 117.98 122.13 1s2l s PHE 16 Ca 0.61 -1.25 -0.06 0.00 -0.96 0.00 0.00 56.93 55.27 1s2l s PHE 16 Cb -0.17 -0.84 0.01 0.00 -0.34 0.00 0.00 43.02 41.68 1s2l s PHE 16 CO 0.56 -0.42 0.12 0.66 -1.46 0.00 0.00 175.22 174.68 1s2l n TYR 17 N -0.46 -0.40 -2.69 10.12 4.01 -1.26 -4.77 117.16 121.70 1s2l n TYR 17 Ca 0.00 0.09 -0.05 0.00 -0.16 0.00 0.00 57.90 57.79 1s2l n TYR 17 Cb 0.66 -0.85 0.04 0.00 -0.31 0.00 0.00 39.34 38.88 1s2l n TYR 17 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1s2l n SER 18 N -0.30 2.15 -1.58 7.72 3.41 -1.26 -5.01 113.62 118.74 1s2l n SER 18 Ca -0.06 -2.34 0.00 0.00 -0.26 0.00 0.00 58.87 56.20 1s2l n SER 18 Cb 0.19 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 1s2l n SER 18 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1s2l n ASP 19 N -0.60 -8.57 0.00 4.04 8.00 -1.26 -4.46 116.55 113.71 1s2l n ASP 19 Ca 0.13 1.37 0.00 0.00 0.71 0.00 0.00 54.79 57.00 1s2l n ASP 19 Cb 0.83 -4.85 0.00 0.00 -0.02 0.00 0.00 41.12 37.07 1s2l n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s2l n ALA 20 N -1.24 0.00 -0.15 2.24 0.00 -1.26 -4.34 120.51 115.77 1s2l n ALA 20 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1s2l n ALA 20 Cb 0.10 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.58 1s2l n ALA 20 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1s2l h GLN 21 N 0.00 0.03 -0.59 0.00 4.20 -1.90 0.33 115.11 117.18 1s2l h GLN 21 Ca 0.00 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1s2l h GLN 21 Cb 0.00 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1s2l h GLN 21 CO 0.00 0.02 0.39 0.00 -0.67 0.00 0.00 178.83 178.57 1s2l h ARG 22 N 0.03 0.59 -0.25 1.46 3.08 -1.82 -1.35 114.38 116.13 1s2l h ARG 22 Ca 0.23 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.16 1s2l h ARG 22 Cb 0.36 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1s2l h ARG 22 CO -0.47 0.39 -0.19 1.49 -1.07 0.00 0.00 179.97 180.13 1s2l h GLU 23 N 0.61 0.56 0.59 0.04 4.81 -0.85 -2.29 114.58 118.05 1s2l h GLU 23 Ca 0.25 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1s2l h GLU 23 Cb 0.21 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1s2l h GLU 23 CO -0.07 0.86 -0.42 0.00 -0.73 0.00 0.00 179.01 178.65 1s2l h ARG 24 N 0.27 -0.94 -0.98 1.92 3.08 0.21 -1.39 114.38 116.56 1s2l h ARG 24 Ca 0.05 0.06 0.15 0.00 0.07 0.00 0.00 59.98 60.31 1s2l h ARG 24 Cb 0.73 0.21 -0.09 0.00 0.08 0.00 0.00 29.97 30.90 1s2l h ARG 24 CO 0.05 -0.62 0.61 0.00 -1.07 0.00 0.00 179.97 178.94 1s2l h ALA 25 N -0.71 1.68 0.38 0.04 0.00 -1.35 -0.36 119.26 118.93 1s2l h ALA 25 Ca -0.07 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1s2l h ALA 25 Cb 0.81 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1s2l h ALA 25 CO 0.04 0.03 -0.25 0.00 0.00 0.00 0.00 179.25 179.06 1s2l h ALA 26 N 1.59 -0.61 -0.75 0.00 0.00 -0.89 -0.80 119.26 117.79 1s2l h ALA 26 Ca 0.52 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.26 1s2l h ALA 26 Cb 0.72 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1s2l h ALA 26 CO -0.29 -0.86 0.26 -0.22 0.00 0.00 0.00 179.25 178.14 1s2l h LYS 27 N -0.62 1.14 -0.36 0.00 3.64 -0.63 -2.77 116.57 116.97 1s2l h LYS 27 Ca -0.04 -0.23 0.06 0.00 -1.27 0.00 0.00 60.65 59.17 1s2l h LYS 27 Cb 0.52 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 1s2l h LYS 27 CO 0.03 0.95 0.07 0.00 -2.27 0.00 0.00 179.45 178.22 1s2l h ALA 28 N 1.18 0.38 -0.79 5.00 0.00 -0.85 0.39 119.26 124.56 1s2l h ALA 28 Ca 0.25 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.31 1s2l h ALA 28 Cb 0.26 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1s2l h ALA 28 CO -0.01 -0.34 0.46 1.57 0.00 0.00 0.00 179.25 180.93 1s2l h LYS 29 N 0.19 0.77 -0.33 0.00 -0.00 -0.88 0.83 116.57 117.15 1s2l h LYS 29 Ca 0.17 -0.05 -0.04 0.00 -0.00 0.00 0.00 60.65 60.74 1s2l h LYS 29 Cb 0.20 -0.17 -0.01 0.00 -0.00 0.00 0.00 32.23 32.25 1s2l h LYS 29 CO -0.23 0.51 0.06 0.93 -0.00 0.00 0.00 179.45 180.71 1s2l h GLU 30 N 0.79 0.55 -0.44 0.07 5.08 -1.08 -1.32 114.58 118.23 1s2l h GLU 30 Ca 0.37 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1s2l h GLU 30 Cb 0.29 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1s2l h GLU 30 CO -0.22 0.63 0.22 -0.07 -1.00 0.00 0.00 179.01 178.57 1s2l h LEU 31 N 0.39 0.57 -0.81 1.33 3.38 -0.31 -2.79 115.31 117.07 1s2l h LEU 31 Ca 0.10 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1s2l h LEU 31 Cb 0.35 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1s2l h LEU 31 CO 0.01 0.53 0.18 -0.07 0.09 0.00 0.00 178.44 179.18 1s2l h LEU 32 N 0.57 1.01 -2.38 1.67 3.38 -0.76 -2.15 115.31 116.65 1s2l h LEU 32 Ca 0.15 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1s2l h LEU 32 Cb 0.11 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1s2l h LEU 32 CO -0.02 0.96 -0.03 0.00 0.09 0.00 0.00 178.44 179.44 1s2l h ALA 33 N 1.17 1.33 -0.00 1.53 0.00 -1.03 0.49 119.26 122.75 1s2l h ALA 33 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1s2l h ALA 33 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1s2l h ALA 33 CO -0.00 0.04 -0.20 1.63 0.00 0.00 0.00 179.25 180.73 1s2l n LYS 34 N -3.61 0.27 -2.84 0.00 5.02 -0.82 -4.81 118.16 111.38 1s2l n LYS 34 Ca -0.03 -0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 55.74 1s2l n LYS 34 Cb 0.13 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.60 1s2l n LYS 34 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1s2l s ASN 35 N -2.79 6.68 0.00 4.39 3.84 0.16 -4.93 114.94 122.29 1s2l s ASN 35 Ca 0.19 0.60 0.09 0.00 0.21 0.00 0.00 52.86 53.96 1s2l s ASN 35 Cb 0.19 -2.45 0.41 0.00 -0.55 0.00 0.00 41.25 38.85 1s2l s ASN 35 CO 0.56 -0.79 1.28 -2.65 -2.79 0.00 0.00 177.10 172.71 1s2l n PRO 36 N 6.62 0.02 0.00 0.43 -0.02 -1.26 -2.62 135.00 138.16 1s2l n PRO 36 Ca 0.06 0.32 0.12 0.00 -2.02 0.00 0.00 63.50 61.98 1s2l n PRO 36 Cb 0.48 -1.50 0.17 0.00 -0.02 0.00 0.00 33.50 32.63 1s2l n PRO 36 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1s2l n SER 37 N -1.47 1.57 -4.75 2.55 3.41 -1.26 -4.45 113.62 109.22 1s2l n SER 37 Ca 0.03 -1.23 -0.36 0.00 -0.26 0.00 0.00 58.87 57.04 1s2l n SER 37 Cb 0.10 0.32 -0.07 0.00 -0.26 0.00 0.00 64.21 64.30 1s2l n SER 37 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1s2l s ILE 38 N -2.48 5.31 -0.19 -1.33 1.01 -1.08 -1.25 121.20 121.18 1s2l s ILE 38 Ca 0.21 0.52 0.12 0.00 0.00 0.00 0.00 60.65 61.50 1s2l s ILE 38 Cb 0.19 -3.61 -0.23 0.00 0.01 0.00 0.00 42.46 38.82 1s2l s ILE 38 CO 0.55 0.43 0.09 0.00 0.00 0.00 0.00 174.94 176.01 1s2l n ALA 39 N 3.26 1.45 -3.54 9.38 0.00 0.24 -4.80 120.51 126.49 1s2l n ALA 39 Ca -0.13 -1.16 -0.16 0.00 0.00 0.00 0.00 53.44 51.99 1s2l n ALA 39 Cb 0.52 -0.28 -0.07 0.00 0.00 0.00 0.00 19.45 19.63 1s2l n ALA 39 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1s2l s HIS 40 N -2.52 -0.69 -0.06 0.00 5.65 -0.99 -5.03 115.29 111.65 1s2l s HIS 40 Ca -0.16 1.39 0.02 0.00 0.25 0.00 0.00 55.06 56.56 1s2l s HIS 40 Cb 0.07 0.34 0.01 0.00 -1.18 0.00 0.00 32.58 31.82 1s2l s HIS 40 CO 0.77 -0.51 -0.12 0.08 -0.65 0.00 0.00 174.74 174.30 1s2l s VAL 41 N -0.59 1.15 -0.11 0.89 1.01 -1.26 -0.32 120.40 121.17 1s2l s VAL 41 Ca -0.07 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1s2l s VAL 41 Cb -0.02 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1s2l s VAL 41 CO 0.06 0.36 -0.14 0.12 0.00 0.00 0.00 175.10 175.50 1s2l s PHE 42 N 0.63 2.78 -0.20 5.22 5.36 0.98 -4.96 117.98 127.78 1s2l s PHE 42 Ca -0.14 -0.54 -0.01 0.00 -0.96 0.00 0.00 56.93 55.29 1s2l s PHE 42 Cb -0.16 -1.79 0.06 0.00 -0.34 0.00 0.00 43.02 40.79 1s2l s PHE 42 CO 0.04 -0.12 -0.03 0.12 -1.46 0.00 0.00 175.22 173.77 1s2l s PHE 43 N 0.09 1.83 0.62 10.12 5.36 -1.26 -0.87 117.98 133.88 1s2l s PHE 43 Ca -0.06 -1.33 0.22 0.00 -0.96 0.00 0.00 56.93 54.81 1s2l s PHE 43 Cb -0.15 -1.35 0.99 0.00 -0.34 0.00 0.00 43.02 42.16 1s2l s PHE 43 CO 0.05 -0.69 1.49 -1.00 -1.46 0.00 0.00 175.22 173.61 1s2l h PRO 44 N 8.08 0.00 0.00 10.12 0.13 -1.93 -1.99 132.00 146.41 1s2l h PRO 44 Ca -0.19 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.91 1s2l h PRO 44 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1s2l h PRO 44 CO 0.39 0.00 -1.62 1.19 -0.23 0.00 0.00 178.00 177.73 1s2l n PHE 45 N -3.14 0.41 0.00 1.56 3.01 -1.26 -4.63 117.46 113.41 1s2l n PHE 45 Ca 0.10 0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.69 1s2l n PHE 45 Cb 1.01 -0.72 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 1s2l n PHE 45 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1s2l n ASP 46 N -2.47 0.00 -4.78 4.37 8.00 -0.75 -4.64 116.55 116.29 1s2l n ASP 46 Ca -0.04 0.53 -0.35 0.00 0.71 0.00 0.00 54.79 55.64 1s2l n ASP 46 Cb 0.60 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.67 1s2l n ASP 46 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1s2l s ASP 47 N -2.23 5.88 -0.00 -2.24 -0.00 -1.26 -5.05 116.67 111.76 1s2l s ASP 47 Ca 0.00 2.14 -0.04 0.00 -0.00 0.00 0.00 52.55 54.65 1s2l s ASP 47 Cb 0.00 -2.58 -0.00 0.00 -0.00 0.00 0.00 42.92 40.34 1s2l s ASP 47 CO 0.00 -1.11 0.07 -0.83 -0.00 0.00 0.00 175.17 173.31 1s2l s GLY 48 N -1.78 0.07 0.00 0.21 0.00 -1.26 -4.95 107.32 99.60 1s2l s GLY 48 Ca 0.71 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 45.29 1s2l s GLY 48 CO 0.26 -0.23 0.00 0.33 0.00 0.00 0.00 173.10 173.46 1s2l n PHE 49 N 1.99 0.00 -0.63 1.90 7.35 -1.26 -5.17 117.46 121.63 1s2l n PHE 49 Ca -0.20 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.49 1s2l n PHE 49 Cb 0.57 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.40 1s2l n PHE 49 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1s2l n SER 64 N 0.00 -3.64 0.29 -2.13 3.41 -1.26 -5.03 113.62 105.26 1s2l n SER 64 Ca 0.00 0.65 0.19 0.00 -0.26 0.00 0.00 58.87 59.46 1s2l n SER 64 Cb 0.00 -1.39 1.04 0.00 -0.26 0.00 0.00 64.21 63.59 1s2l n SER 64 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1s2l h MET 65 N 0.30 0.00 0.07 4.33 1.85 -2.05 -0.64 114.93 118.80 1s2l h MET 65 Ca 0.00 0.00 -0.19 0.00 -0.61 0.00 0.00 59.70 58.90 1s2l h MET 65 Cb 0.23 0.00 0.02 0.00 0.43 0.00 0.00 31.60 32.28 1s2l h MET 65 CO 0.00 0.00 -0.78 0.28 -0.40 0.00 0.00 176.91 176.01 1s2l h VAL 66 N 0.00 1.44 -0.18 -5.77 2.07 -2.05 -2.60 116.25 109.16 1s2l h VAL 66 Ca 0.00 -2.32 -0.03 0.00 0.82 0.00 0.00 66.70 65.17 1s2l h VAL 66 Cb 0.04 2.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 1s2l h VAL 66 CO 0.00 0.67 -0.02 -0.25 0.02 0.00 0.00 177.57 177.99 1s2l h TRP 67 N -0.15 0.36 0.11 1.57 7.01 -1.58 -2.17 115.95 121.10 1s2l h TRP 67 Ca -0.12 -0.07 0.02 0.00 2.11 0.00 0.00 58.89 60.83 1s2l h TRP 67 Cb 1.54 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 28.46 1s2l h TRP 67 CO 0.16 0.56 -0.36 0.00 -2.79 0.00 0.00 178.44 176.01 1s2l h ARG 68 N 0.05 -0.56 -0.30 2.65 3.08 -1.29 0.34 114.38 118.35 1s2l h ARG 68 Ca 0.05 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.17 1s2l h ARG 68 Cb 0.43 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 1s2l h ARG 68 CO 0.01 -0.37 0.09 -0.44 -1.07 0.00 0.00 179.97 178.18 1s2l h ASP 69 N -0.58 0.07 -0.26 7.04 3.32 -1.49 0.13 116.42 124.65 1s2l h ASP 69 Ca 0.03 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1s2l h ASP 69 Cb 0.62 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1s2l h ASP 69 CO -0.22 0.08 0.16 0.00 -1.72 0.00 0.00 179.24 177.54 1s2l h ALA 70 N 1.20 0.33 -0.21 3.45 0.00 -1.15 0.18 119.26 123.07 1s2l h ALA 70 Ca 0.14 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1s2l h ALA 70 Cb 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1s2l h ALA 70 CO -0.15 -0.16 -0.08 1.15 0.00 0.00 0.00 179.25 180.01 1s2l h THR 71 N 0.33 1.30 0.12 0.00 2.02 -0.77 0.11 112.91 116.00 1s2l h THR 71 Ca 0.09 -1.10 0.02 0.00 0.77 0.00 0.00 66.41 66.19 1s2l h THR 71 Cb 0.01 1.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 1s2l h THR 71 CO -0.02 0.34 -0.33 0.22 0.37 0.00 0.00 175.52 176.10 1s2l h TYR 72 N 0.13 -0.90 -0.94 3.16 3.20 -0.63 -1.91 116.97 119.08 1s2l h TYR 72 Ca 0.05 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.01 1s2l h TYR 72 Cb 0.55 0.38 -0.06 0.00 1.54 0.00 0.00 36.73 39.13 1s2l h TYR 72 CO 0.06 -0.44 0.61 0.37 -1.64 0.00 0.00 178.16 177.12 1s2l h GLN 73 N -0.55 1.03 -0.14 1.82 5.75 -0.53 0.23 115.11 122.72 1s2l h GLN 73 Ca 0.03 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1s2l h GLN 73 Cb 0.58 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 1s2l h GLN 73 CO -0.20 0.68 0.08 -0.91 -2.65 0.00 0.00 178.83 175.84 1s2l h ASN 74 N 1.06 0.16 0.05 -0.69 2.35 -0.05 0.98 115.58 119.44 1s2l h ASN 74 Ca 0.41 -0.01 -0.23 0.00 -0.55 0.00 0.00 56.30 55.93 1s2l h ASN 74 Cb 0.23 -0.04 0.02 0.00 0.05 0.00 0.00 38.32 38.58 1s2l h ASN 74 CO -0.17 0.12 -0.92 0.44 -1.65 0.00 0.00 177.43 175.26 1s2l h ASP 75 N 0.18 0.72 0.04 5.81 3.32 -0.26 -2.20 116.42 124.03 1s2l h ASP 75 Ca 0.05 -0.80 -0.06 0.00 0.02 0.00 0.00 57.03 56.24 1s2l h ASP 75 Cb -0.01 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1s2l h ASP 75 CO -0.01 1.43 -0.17 -0.07 -1.72 0.00 0.00 179.24 178.70 1s2l h LEU 76 N 0.09 0.25 -0.68 1.55 3.38 -0.52 -0.73 115.31 118.64 1s2l h LEU 76 Ca -0.13 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 1s2l h LEU 76 Cb 1.62 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1s2l h LEU 76 CO 0.18 0.44 -0.36 0.74 0.09 0.00 0.00 178.44 179.53 1s2l h THR 77 N 0.24 1.29 -0.50 0.22 2.02 -0.85 -0.21 112.91 115.12 1s2l h THR 77 Ca 0.05 -1.50 -0.09 0.00 0.77 0.00 0.00 66.41 65.63 1s2l h THR 77 Cb 0.45 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 1s2l h THR 77 CO 0.03 0.48 -0.07 1.23 0.37 0.00 0.00 175.52 177.56 1s2l h GLY 78 N 1.01 0.97 1.44 2.16 0.00 -0.63 -1.28 103.07 106.74 1s2l h GLY 78 Ca 0.05 -0.72 -0.12 0.00 0.00 0.00 0.00 47.33 46.55 1s2l h GLY 78 CO 0.07 0.66 -0.29 -2.22 0.00 0.00 0.00 176.54 174.76 1s2l h ILE 79 N 0.81 1.28 -0.10 2.60 2.04 -0.84 -1.41 117.51 121.89 1s2l h ILE 79 Ca 0.14 -1.40 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 1s2l h ILE 79 Cb 0.58 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1s2l h ILE 79 CO 0.04 0.45 -0.00 -1.28 0.00 0.00 0.00 178.15 177.36 1s2l h SER 80 N 0.55 0.18 0.82 1.72 0.87 -0.69 -3.03 113.55 113.98 1s2l h SER 80 Ca 0.07 -0.31 -0.06 0.00 -1.23 0.00 0.00 61.79 60.25 1s2l h SER 80 Cb 0.78 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 1s2l h SER 80 CO 0.06 0.45 -0.31 0.78 -0.53 0.00 0.00 176.83 177.28 1s2l h ASN 81 N -0.09 0.00 -4.13 6.23 2.35 -1.22 -3.45 115.58 115.27 1s2l h ASN 81 Ca 0.03 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.25 1s2l h ASN 81 Cb 0.35 0.00 0.13 0.00 0.05 0.00 0.00 38.32 38.85 1s2l h ASN 81 CO 0.01 0.31 0.44 0.00 -1.65 0.00 0.00 177.43 176.53 1s2l s ALA 82 N -3.69 2.40 -0.16 -0.83 0.00 -0.54 -4.91 121.76 114.04 1s2l s ALA 82 Ca -0.00 0.92 0.18 0.00 0.00 0.00 0.00 51.96 53.06 1s2l s ALA 82 Cb 0.11 -3.44 -0.25 0.00 0.00 0.00 0.00 23.12 19.53 1s2l s ALA 82 CO 0.66 -1.40 0.14 -2.37 0.00 0.00 0.00 175.76 172.79 1s2l n THR 83 N -2.04 1.07 -3.97 0.00 5.66 0.11 -4.98 114.28 110.13 1s2l n THR 83 Ca 0.13 -0.75 -0.10 0.00 -3.05 0.00 0.00 64.05 60.28 1s2l n THR 83 Cb 0.50 -0.39 -0.06 0.00 -1.55 0.00 0.00 70.33 68.83 1s2l n THR 83 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1s2l s GLY 85 N -2.99 1.21 -0.14 0.00 0.00 -0.62 -2.02 107.32 102.76 1s2l s GLY 85 Ca 0.20 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.86 1s2l s GLY 85 CO 0.04 -0.87 -0.14 0.14 0.00 0.00 0.00 173.10 172.27 1s2l s VAL 86 N -0.56 1.51 -0.22 1.40 1.01 -0.48 0.10 120.40 123.16 1s2l s VAL 86 Ca 0.09 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1s2l s VAL 86 Cb -0.10 -1.42 0.03 0.00 0.00 0.00 0.00 36.38 34.89 1s2l s VAL 86 CO -0.01 0.45 -0.14 -0.36 0.00 0.00 0.00 175.10 175.04 1s2l s PHE 87 N 1.45 2.99 -0.98 5.22 0.08 -0.22 -0.35 117.98 126.17 1s2l s PHE 87 Ca 0.04 -1.84 -0.24 0.00 0.12 0.00 0.00 56.93 55.01 1s2l s PHE 87 Cb -0.13 -1.95 0.02 0.00 -0.57 0.00 0.00 43.02 40.39 1s2l s PHE 87 CO -0.09 -0.81 1.62 -0.51 -0.10 0.00 0.00 175.22 175.33 1s2l s LEU 88 N 1.24 3.38 -0.44 -0.37 1.02 -0.39 -0.90 118.68 122.22 1s2l s LEU 88 Ca -0.00 -1.17 -0.20 0.00 0.02 0.00 0.00 54.13 52.78 1s2l s LEU 88 Cb -0.16 -2.57 0.03 0.00 0.02 0.00 0.00 46.19 43.51 1s2l s LEU 88 CO -0.09 -1.94 0.59 -0.47 0.02 0.00 0.00 176.35 174.46 1s2l s TYR 89 N 6.77 3.08 -0.41 0.29 5.04 -0.32 -4.62 117.35 127.18 1s2l s TYR 89 Ca 0.54 -0.20 -0.29 0.00 -2.44 0.00 0.00 57.07 54.69 1s2l s TYR 89 Cb -0.02 -3.27 0.02 0.00 0.35 0.00 0.00 41.96 39.04 1s2l s TYR 89 CO -0.07 -0.86 1.18 0.34 -1.34 0.00 0.00 175.55 174.81 1s2l s ASP 90 N 2.05 6.66 0.26 4.32 2.15 -1.26 -0.25 116.67 130.61 1s2l s ASP 90 Ca 0.19 0.73 0.26 0.00 0.43 0.00 0.00 52.55 54.15 1s2l s ASP 90 Cb -0.15 -2.55 0.84 0.00 -0.30 0.00 0.00 42.92 40.76 1s2l s ASP 90 CO 0.17 -1.18 1.75 0.24 -0.17 0.00 0.00 175.17 175.99 1s2l h MET 91 N 9.18 0.00 0.11 4.34 2.86 -0.81 -3.21 114.93 127.40 1s2l h MET 91 Ca -0.23 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.13 1s2l h MET 91 Cb 1.07 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 1s2l h MET 91 CO 1.09 0.00 -1.30 -0.44 1.06 0.00 0.00 176.91 177.32 1s2l h ASP 92 N 0.00 0.36 -3.14 1.22 3.45 -1.91 -3.41 116.42 113.00 1s2l h ASP 92 Ca 0.00 -0.42 -0.57 0.00 0.43 0.00 0.00 57.03 56.47 1s2l h ASP 92 Cb 0.65 -0.12 -0.40 0.00 -0.56 0.00 0.00 39.33 38.90 1s2l h ASP 92 CO 0.00 1.34 -0.76 -1.58 -1.57 0.00 0.00 179.24 176.67 1s2l s GLN 93 N -2.65 0.67 0.01 3.56 0.74 -1.21 -5.11 119.66 115.67 1s2l s GLN 93 Ca -0.05 -0.94 -0.30 0.00 0.05 0.00 0.00 55.36 54.12 1s2l s GLN 93 Cb 0.07 -1.92 -0.07 0.00 1.10 0.00 0.00 33.01 32.19 1s2l s GLN 93 CO 0.87 -0.95 1.71 -0.51 -0.55 0.00 0.00 175.29 175.87 1s2l s LEU 94 N 1.69 4.36 -0.43 3.68 1.43 -1.24 -4.60 118.68 123.57 1s2l s LEU 94 Ca 0.08 2.42 -0.17 0.00 -1.03 0.00 0.00 54.13 55.43 1s2l s LEU 94 Cb -0.17 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.53 1s2l s LEU 94 CO -0.24 -0.93 0.44 -0.62 0.23 0.00 0.00 176.35 175.22 1s2l s ASP 95 N 3.18 6.19 0.48 2.29 2.15 -1.26 -4.93 116.67 124.76 1s2l s ASP 95 Ca 0.76 -0.73 0.32 0.00 0.43 0.00 0.00 52.55 53.34 1s2l s ASP 95 Cb -0.38 -2.22 1.38 0.00 -0.30 0.00 0.00 42.92 41.40 1s2l s ASP 95 CO 0.33 -0.59 1.94 -2.24 -0.17 0.00 0.00 175.17 174.44 1s2l h ASP 96 N 8.74 0.00 0.07 -0.34 2.03 -1.99 -2.39 116.42 122.54 1s2l h ASP 96 Ca -0.27 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.03 1s2l h ASP 96 Cb 1.11 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.61 1s2l h ASP 96 CO 0.80 0.00 -0.03 1.23 -1.03 0.00 0.00 179.24 180.21 1s2l h GLY 97 N 1.78 -0.10 1.02 7.15 0.00 -1.99 -0.46 103.07 110.46 1s2l h GLY 97 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 1s2l h GLY 97 CO 0.00 -0.04 0.55 1.76 0.00 0.00 0.00 176.54 178.81 1s2l h SER 98 N -0.49 1.07 -0.44 0.19 0.02 -1.90 -1.75 113.55 110.25 1s2l h SER 98 Ca -0.01 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 1s2l h SER 98 Cb 0.42 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1s2l h SER 98 CO 0.02 0.82 0.18 0.00 -1.14 0.00 0.00 176.83 176.70 1s2l h ALA 99 N 1.30 0.58 -0.55 3.77 0.00 -1.37 0.78 119.26 123.77 1s2l h ALA 99 Ca 0.32 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1s2l h ALA 99 Cb -0.06 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 1s2l h ALA 99 CO -0.06 0.19 0.24 0.35 0.00 0.00 0.00 179.25 179.97 1s2l h PHE 100 N 0.58 0.44 -0.40 0.00 3.57 -0.73 -1.06 116.94 119.33 1s2l h PHE 100 Ca 0.15 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 1s2l h PHE 100 Cb 0.20 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1s2l h PHE 100 CO 0.00 0.17 -0.11 0.93 -2.23 0.00 0.00 178.31 177.07 1s2l h GLU 101 N 0.46 0.71 -0.32 1.11 5.08 -0.86 -0.79 114.58 119.97 1s2l h GLU 101 Ca 0.26 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1s2l h GLU 101 Cb 0.24 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1s2l h GLU 101 CO -0.22 0.80 0.11 0.82 -1.00 0.00 0.00 179.01 179.52 1s2l h ILE 102 N 0.65 1.20 -0.50 3.13 2.04 -0.18 -1.07 117.51 122.78 1s2l h ILE 102 Ca 0.11 -0.64 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 1s2l h ILE 102 Cb 0.56 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1s2l h ILE 102 CO 0.04 0.22 0.08 1.23 0.00 0.00 0.00 178.15 179.71 1s2l h GLY 103 N 0.37 0.84 0.91 5.37 0.00 -0.91 -1.14 103.07 108.50 1s2l h GLY 103 Ca 0.11 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1s2l h GLY 103 CO -0.00 0.47 0.10 -2.75 0.00 0.00 0.00 176.54 174.36 1s2l h PHE 104 N 0.74 0.53 -0.34 5.60 3.57 -0.91 -1.66 116.94 124.47 1s2l h PHE 104 Ca 0.16 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 1s2l h PHE 104 Cb 0.34 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1s2l h PHE 104 CO 0.02 0.53 -0.28 0.52 -2.23 0.00 0.00 178.31 176.87 1s2l h MET 105 N 0.37 0.70 -0.34 1.11 2.86 -0.87 -2.81 114.93 115.95 1s2l h MET 105 Ca 0.11 -0.31 -0.10 0.00 -2.06 0.00 0.00 59.70 57.34 1s2l h MET 105 Cb 0.25 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1s2l h MET 105 CO -0.00 0.91 -0.19 0.00 1.06 0.00 0.00 176.91 178.68 1s2l h ARG 106 N 0.60 0.64 0.00 1.72 2.47 -1.10 -1.19 114.38 117.53 1s2l h ARG 106 Ca 0.07 -0.23 -0.02 0.00 -1.26 0.00 0.00 59.98 58.54 1s2l h ARG 106 Cb 0.79 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 29.06 1s2l h ARG 106 CO 0.07 0.80 -0.08 0.00 0.56 0.00 0.00 179.97 181.32 1s2l h ALA 107 N 1.22 1.22 -0.10 0.04 0.00 -1.10 0.15 119.26 120.68 1s2l h ALA 107 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1s2l h ALA 107 Cb 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1s2l h ALA 107 CO 0.05 0.10 0.00 -1.33 0.00 0.00 0.00 179.25 178.06 1s2l n MET 108 N -3.49 1.78 -1.23 0.00 2.81 -0.63 -4.92 117.12 111.44 1s2l n MET 108 Ca -0.02 -1.16 -0.08 0.00 -1.81 0.00 0.00 57.70 54.64 1s2l n MET 108 Cb 0.21 -1.44 -0.03 0.00 -0.71 0.00 0.00 33.22 31.24 1s2l n MET 108 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1s2l n HIS 109 N 0.39 0.00 -3.15 2.03 -0.00 0.53 -5.01 115.22 110.01 1s2l n HIS 109 Ca 0.17 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.54 1s2l n HIS 109 Cb 0.37 -1.71 -0.06 0.00 -0.00 0.00 0.00 29.99 28.60 1s2l n HIS 109 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1s2l s LYS 110 N -2.43 4.20 0.50 -0.41 1.02 -0.55 -5.00 119.74 117.07 1s2l s LYS 110 Ca 0.00 0.80 -0.21 0.00 0.02 0.00 0.00 55.97 56.58 1s2l s LYS 110 Cb 0.00 -2.88 -0.07 0.00 -0.52 0.00 0.00 37.83 34.36 1s2l s LYS 110 CO 0.00 0.40 1.13 -1.25 -0.92 0.00 0.00 175.35 174.71 1s2l s PRO 111 N -1.99 3.61 -0.09 -1.68 0.04 -1.26 -4.29 135.00 129.34 1s2l s PRO 111 Ca 0.42 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1s2l s PRO 111 Cb -0.16 -2.20 0.02 0.00 0.04 0.00 0.00 34.50 32.20 1s2l s PRO 111 CO 0.21 -0.64 -0.08 0.08 0.04 0.00 0.00 177.00 176.61 1s2l s VAL 112 N -1.70 0.92 -0.27 -0.36 1.01 -1.26 -1.59 120.40 117.15 1s2l s VAL 112 Ca 0.68 -0.27 -0.14 0.00 0.00 0.00 0.00 61.98 62.24 1s2l s VAL 112 Cb -0.25 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1s2l s VAL 112 CO 0.29 0.33 0.34 -0.63 0.00 0.00 0.00 175.10 175.44 1s2l s ILE 113 N 1.35 5.20 -0.18 2.22 -1.09 0.29 -1.99 121.20 127.00 1s2l s ILE 113 Ca -0.02 0.51 -0.09 0.00 -2.23 0.00 0.00 60.65 58.81 1s2l s ILE 113 Cb -0.14 -3.67 -0.05 0.00 -1.58 0.00 0.00 42.46 37.03 1s2l s ILE 113 CO -0.04 0.18 0.13 -0.22 -1.23 0.00 0.00 174.94 173.77 1s2l s LEU 114 N 1.94 4.25 -0.61 2.97 2.96 0.12 -1.06 118.68 129.25 1s2l s LEU 114 Ca 0.14 0.28 0.04 0.00 -0.22 0.00 0.00 54.13 54.38 1s2l s LEU 114 Cb -0.16 -2.08 0.16 0.00 0.50 0.00 0.00 46.19 44.61 1s2l s LEU 114 CO 0.10 0.23 0.41 -0.69 -1.32 0.00 0.00 176.35 175.08 1s2l s VAL 115 N 0.03 2.32 0.38 1.68 1.01 -0.07 -0.73 120.40 125.02 1s2l s VAL 115 Ca 0.10 -3.73 -0.27 0.00 0.00 0.00 0.00 61.98 58.08 1s2l s VAL 115 Cb -0.11 -2.55 -0.09 0.00 0.00 0.00 0.00 36.38 33.63 1s2l s VAL 115 CO -0.01 -1.00 1.24 -2.16 0.00 0.00 0.00 175.10 173.18 1s2l s PRO 116 N -0.88 4.14 0.00 2.72 0.04 -1.25 -1.17 135.00 138.59 1s2l s PRO 116 Ca 0.24 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.35 1s2l s PRO 116 Cb -0.08 -2.83 -0.01 0.00 0.04 0.00 0.00 34.50 31.61 1s2l s PRO 116 CO -0.13 -0.31 -0.11 -0.06 0.04 0.00 0.00 177.00 176.44 1s2l s PHE 117 N -1.28 0.93 -0.16 0.56 0.08 0.65 -1.05 117.98 117.72 1s2l s PHE 117 Ca 0.54 -0.22 -0.12 0.00 0.12 0.00 0.00 56.93 57.25 1s2l s PHE 117 Cb -0.35 -0.59 0.05 0.00 -0.57 0.00 0.00 43.02 41.56 1s2l s PHE 117 CO 0.46 -0.01 0.41 -0.08 -0.10 0.00 0.00 175.22 175.89 1s2l s THR 118 N -0.41 -0.01 -1.00 0.64 -1.32 -1.26 -0.01 115.64 112.27 1s2l s THR 118 Ca 0.03 0.04 0.18 0.00 -1.21 0.00 0.00 61.69 60.73 1s2l s THR 118 Cb -0.05 -0.59 0.74 0.00 -1.51 0.00 0.00 72.50 71.10 1s2l s THR 118 CO -0.00 0.02 1.66 -1.84 -2.21 0.00 0.00 174.62 172.24 1s2l n GLU 119 N 3.51 3.93 -3.14 7.08 0.00 -1.26 -4.59 120.64 126.17 1s2l n GLU 119 Ca -0.18 -2.95 -0.22 0.00 0.00 0.00 0.00 57.16 53.81 1s2l n GLU 119 Cb 0.56 -1.96 -0.06 0.00 0.00 0.00 0.00 31.44 29.99 1s2l n GLU 119 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1s2l n HIS 120 N 1.06 -0.69 0.31 -1.84 8.25 -1.26 -4.95 115.22 116.09 1s2l n HIS 120 Ca 0.26 -3.36 0.19 0.00 -0.26 0.00 0.00 57.72 54.55 1s2l n HIS 120 Cb 0.94 -0.13 0.91 0.00 1.12 0.00 0.00 29.99 32.83 1s2l n HIS 120 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1s2l h PRO 121 N 3.97 0.00 0.00 -0.41 0.11 -1.97 -1.92 132.00 131.78 1s2l h PRO 121 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1s2l h PRO 121 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1s2l h PRO 121 CO 0.45 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.29 1s2l h GLU 122 N 0.00 0.00 -7.03 1.05 9.09 -1.99 -3.45 114.58 112.25 1s2l h GLU 122 Ca 0.00 0.00 -0.48 0.00 0.05 0.00 0.00 59.36 58.93 1s2l h GLU 122 Cb 0.27 0.00 0.05 0.00 -1.65 0.00 0.00 28.75 27.41 1s2l h GLU 122 CO 0.00 0.00 0.13 0.15 0.05 0.00 0.00 179.01 179.34 1s2l s LYS 123 N -3.57 3.06 0.51 1.06 1.02 -0.72 -5.02 119.74 116.07 1s2l s LYS 123 Ca 0.02 -0.03 -0.20 0.00 0.02 0.00 0.00 55.97 55.79 1s2l s LYS 123 Cb 0.09 -2.33 -0.11 0.00 -0.52 0.00 0.00 37.83 34.97 1s2l s LYS 123 CO 0.54 -0.55 0.51 -0.85 -0.92 0.00 0.00 175.35 174.08 1s2l n GLU 124 N -2.46 0.55 -3.63 1.68 0.28 -1.26 -4.93 120.64 110.85 1s2l n GLU 124 Ca 0.03 0.21 -0.39 0.00 -0.16 0.00 0.00 57.16 56.85 1s2l n GLU 124 Cb 0.57 -1.61 -0.09 0.00 1.43 0.00 0.00 31.44 31.75 1s2l n GLU 124 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1s2l s LYS 125 N -1.83 2.54 0.05 3.44 2.20 -1.26 -5.04 119.74 119.83 1s2l s LYS 125 Ca 0.66 -2.14 0.01 0.00 -0.36 0.00 0.00 55.97 54.14 1s2l s LYS 125 Cb -0.51 -3.84 -0.03 0.00 -1.51 0.00 0.00 37.83 31.94 1s2l s LYS 125 CO 0.57 -1.17 -0.06 0.15 -0.36 0.00 0.00 175.35 174.47 1s2l s LYS 126 N 0.65 0.56 -0.01 4.03 1.02 -1.26 0.05 119.74 124.78 1s2l s LYS 126 Ca 0.12 -0.91 -0.06 0.00 0.02 0.00 0.00 55.97 55.13 1s2l s LYS 126 Cb -0.21 -0.12 0.00 0.00 -0.52 0.00 0.00 37.83 36.98 1s2l s LYS 126 CO -0.03 -0.01 0.13 1.41 -0.92 0.00 0.00 175.35 175.93 1s2l s MET 127 N -2.36 0.37 0.35 1.68 1.75 0.09 -4.86 119.30 116.32 1s2l s MET 127 Ca -0.04 -0.23 -0.28 0.00 -1.25 0.00 0.00 55.69 53.89 1s2l s MET 127 Cb -0.04 0.16 -0.10 0.00 2.84 0.00 0.00 34.83 37.68 1s2l s MET 127 CO -0.02 -0.08 1.33 1.21 -0.65 0.00 0.00 175.02 176.80 1s2l s ASN 128 N -0.93 6.64 0.21 1.11 2.47 -1.26 -2.85 114.94 120.34 1s2l s ASN 128 Ca -0.10 2.73 -0.08 0.00 0.42 0.00 0.00 52.86 55.82 1s2l s ASN 128 Cb -0.06 -2.65 0.28 0.00 -1.45 0.00 0.00 41.25 37.37 1s2l s ASN 128 CO 0.01 -0.63 1.78 0.25 -3.72 0.00 0.00 177.10 174.79 1s2l h LEU 129 N 3.21 0.45 -1.67 3.21 5.85 -1.09 -1.20 115.31 124.06 1s2l h LEU 129 Ca -0.49 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.30 1s2l h LEU 129 Cb 1.23 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 1s2l h LEU 129 CO 0.65 0.27 0.26 0.24 -0.34 0.00 0.00 178.44 179.52 1s2l h MET 130 N 0.59 0.42 0.09 1.25 2.86 -1.91 0.17 114.93 118.40 1s2l h MET 130 Ca 0.32 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.81 1s2l h MET 130 Cb 0.29 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 31.87 1s2l h MET 130 CO -0.24 0.28 -0.53 0.82 1.06 0.00 0.00 176.91 178.30 1s2l h ILE 131 N 0.43 1.61 -0.97 -1.22 1.08 -1.80 0.20 117.51 116.85 1s2l h ILE 131 Ca 0.16 -2.47 0.00 0.00 -0.39 0.00 0.00 64.86 62.16 1s2l h ILE 131 Cb 0.10 3.27 -0.05 0.00 -3.07 0.00 0.00 36.82 37.07 1s2l h ILE 131 CO -0.04 0.68 0.62 0.00 -0.69 0.00 0.00 178.15 178.72 1s2l h ALA 132 N 0.06 1.27 0.00 1.87 0.00 -0.83 -1.31 119.26 120.31 1s2l h ALA 132 Ca -0.09 -0.08 -0.28 0.00 0.00 0.00 0.00 54.91 54.45 1s2l h ALA 132 Cb 1.41 -0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1s2l h ALA 132 CO 0.10 0.66 -1.65 0.37 0.00 0.00 0.00 179.25 178.73 1s2l h GLN 133 N 1.32 0.00 -0.39 0.00 5.75 -0.79 -3.39 115.11 117.62 1s2l h GLN 133 Ca 0.35 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.78 1s2l h GLN 133 Cb -0.12 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.42 1s2l h GLN 133 CO -0.07 0.52 -0.02 0.78 -2.65 0.00 0.00 178.83 177.39 1s2l h GLY 134 N 3.48 0.75 -2.29 2.39 0.00 -0.70 -3.44 103.07 103.26 1s2l h GLY 134 Ca -0.26 -0.57 -0.50 0.00 0.00 0.00 0.00 47.33 45.99 1s2l h GLY 134 CO 0.08 0.53 0.45 -1.34 0.00 0.00 0.00 176.54 176.26 1s2l s VAL 135 N -4.94 3.14 -0.07 4.60 -7.23 -0.52 -4.83 120.40 110.55 1s2l s VAL 135 Ca -0.13 0.76 0.19 0.00 -1.81 0.00 0.00 61.98 60.99 1s2l s VAL 135 Cb 0.10 -3.33 -0.28 0.00 0.56 0.00 0.00 36.38 33.42 1s2l s VAL 135 CO 0.79 -0.11 0.33 0.35 -0.31 0.00 0.00 175.10 176.15 1s2l n THR 136 N -1.04 0.34 -3.76 5.32 -2.24 -0.84 -4.78 114.28 107.28 1s2l n THR 136 Ca 0.10 -0.54 -0.13 0.00 -2.27 0.00 0.00 64.05 61.21 1s2l n THR 136 Cb 0.50 -0.10 -0.14 0.00 -2.10 0.00 0.00 70.33 68.49 1s2l n THR 136 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1s2l s THR 137 N -3.11 -0.04 -0.09 4.28 2.01 -1.02 -0.30 115.64 117.37 1s2l s THR 137 Ca -0.08 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.10 1s2l s THR 137 Cb 0.11 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 72.34 1s2l s THR 137 CO 0.80 0.06 -0.15 -0.51 -0.69 0.00 0.00 174.62 174.13 1s2l s ILE 138 N 1.04 2.97 -0.20 1.82 2.07 -0.72 0.11 121.20 128.28 1s2l s ILE 138 Ca -0.08 -0.73 -0.02 0.00 -1.41 0.00 0.00 60.65 58.41 1s2l s ILE 138 Cb -0.10 -2.19 0.06 0.00 0.13 0.00 0.00 42.46 40.36 1s2l s ILE 138 CO -0.05 0.56 0.02 -0.63 -1.91 0.00 0.00 174.94 172.92 1s2l s ILE 139 N -0.18 0.74 0.18 2.00 1.01 0.10 -4.94 121.20 120.10 1s2l s ILE 139 Ca -0.00 -0.70 -0.32 0.00 0.00 0.00 0.00 60.65 59.63 1s2l s ILE 139 Cb -0.13 -1.20 -0.11 0.00 0.01 0.00 0.00 42.46 41.03 1s2l s ILE 139 CO 0.03 -0.19 1.64 -0.62 0.00 0.00 0.00 174.94 175.80 1s2l s ASP 140 N 1.76 6.50 0.19 3.58 -1.08 -1.26 -3.90 116.67 122.46 1s2l s ASP 140 Ca -0.02 2.71 0.02 0.00 -0.52 0.00 0.00 52.55 54.74 1s2l s ASP 140 Cb -0.17 -2.59 0.10 0.00 -1.46 0.00 0.00 42.92 38.79 1s2l s ASP 140 CO -0.08 -0.89 1.46 1.23 0.52 0.00 0.00 175.17 177.41 1s2l h GLY 141 N 6.91 0.31 1.89 2.66 0.00 -1.33 0.05 103.07 113.55 1s2l h GLY 141 Ca -0.43 -0.45 -0.23 0.00 0.00 0.00 0.00 47.33 46.22 1s2l h GLY 141 CO 0.93 0.40 -1.08 3.43 0.00 0.00 0.00 176.54 180.23 1s2l h ASN 142 N 0.19 0.10 0.02 0.19 2.35 -1.91 -3.28 115.58 113.24 1s2l h ASN 142 Ca -0.03 -0.11 -0.38 0.00 -0.55 0.00 0.00 56.30 55.23 1s2l h ASN 142 Cb 1.30 -0.03 -0.06 0.00 0.05 0.00 0.00 38.32 39.58 1s2l h ASN 142 CO 0.12 1.09 -2.40 0.35 -1.65 0.00 0.00 177.43 174.93 1s2l n THR 143 N -3.39 1.51 -2.60 2.81 -2.24 -1.23 -4.77 114.28 104.37 1s2l n THR 143 Ca -0.02 -0.62 -0.05 0.00 -2.27 0.00 0.00 64.05 61.08 1s2l n THR 143 Cb 0.96 -1.32 0.04 0.00 -2.10 0.00 0.00 70.33 67.92 1s2l n THR 143 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1s2l n GLU 144 N -3.21 2.05 -0.33 -0.78 0.00 -0.02 -4.89 120.64 113.45 1s2l n GLU 144 Ca -0.42 -3.56 0.09 0.00 0.00 0.00 0.00 57.16 53.27 1s2l n GLU 144 Cb 1.02 -1.66 0.26 0.00 0.00 0.00 0.00 31.44 31.06 1s2l n GLU 144 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 1s2l h PHE 145 N 2.37 0.96 -0.09 -1.84 3.57 -1.55 -1.14 116.94 119.22 1s2l h PHE 145 Ca -0.03 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1s2l h PHE 145 Cb 1.37 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 1s2l h PHE 145 CO 0.56 0.27 0.19 0.93 -2.23 0.00 0.00 178.31 178.03 1s2l h GLU 146 N 0.77 0.00 -0.08 1.11 4.39 -1.90 -2.61 114.58 116.26 1s2l h GLU 146 Ca 0.51 0.00 0.02 0.00 0.34 0.00 0.00 59.36 60.23 1s2l h GLU 146 Cb 0.69 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1s2l h GLU 146 CO -0.34 0.00 0.13 0.87 -1.16 0.00 0.00 179.01 178.51 1s2l h LYS 147 N 0.00 0.00 0.00 2.33 1.57 -1.60 -1.97 116.57 116.90 1s2l h LYS 147 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1s2l h LYS 147 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1s2l h LYS 147 CO -0.00 0.00 0.12 -0.07 -0.57 0.00 0.00 179.45 178.93 1s2l h LEU 148 N 0.00 0.00 0.00 2.94 3.38 -1.68 0.18 115.31 120.14 1s2l h LEU 148 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1s2l h LEU 148 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1s2l h LEU 148 CO -0.00 0.00 -0.64 0.00 0.09 0.00 0.00 178.44 177.89 1s2l h ALA 149 N 1.76 0.69 0.00 1.53 0.00 -1.46 -3.38 119.26 118.40 1s2l h ALA 149 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1s2l h ALA 149 Cb 0.23 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1s2l h ALA 149 CO 0.00 0.05 -1.79 -0.25 0.00 0.00 0.00 179.25 177.26 1s2l n ASP 150 N -2.85 1.71 -4.62 0.00 8.00 0.39 -3.92 116.55 115.25 1s2l n ASP 150 Ca 0.01 0.00 -0.49 0.00 0.71 0.00 0.00 54.79 55.02 1s2l n ASP 150 Cb 0.56 1.25 -0.05 0.00 -0.02 0.00 0.00 41.12 42.86 1s2l n ASP 150 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s2l n TYR 151 N -2.25 1.77 -2.59 1.24 9.36 0.27 -4.87 117.16 120.09 1s2l n TYR 151 Ca -0.12 0.52 -0.41 0.00 3.32 0.00 0.00 57.90 61.20 1s2l n TYR 151 Cb 0.65 -2.40 -0.03 0.00 -0.63 0.00 0.00 39.34 36.94 1s2l n TYR 151 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1s2l s ASN 152 N 0.49 6.33 0.00 2.98 3.84 -1.26 -4.81 114.94 122.50 1s2l s ASN 152 Ca 0.79 -0.99 0.22 0.00 0.21 0.00 0.00 52.86 53.09 1s2l s ASN 152 Cb -0.82 -2.55 1.31 0.00 -0.55 0.00 0.00 41.25 38.65 1s2l s ASN 152 CO 0.46 -1.63 1.71 0.49 -2.79 0.00 0.00 177.10 175.33 1s2l n PHE 153 N 8.91 0.00 0.47 0.43 3.72 -1.26 -1.29 117.46 128.44 1s2l n PHE 153 Ca 0.16 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.69 1s2l n PHE 153 Cb 0.50 -0.03 0.31 0.00 -0.94 0.00 0.00 39.48 39.31 1s2l n PHE 153 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1s2l h ASN 154 N 0.00 0.00 0.00 4.37 2.35 -1.89 -3.35 115.58 117.06 1s2l h ASN 154 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1s2l h ASN 154 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1s2l h ASN 154 CO 0.00 0.00 -0.15 -0.62 -1.65 0.00 0.00 177.43 175.01 1s2l n GLU 155 N -2.57 3.39 -3.86 0.81 1.02 -1.06 -4.92 120.64 113.44 1s2l n GLU 155 Ca 0.05 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.85 1s2l n GLU 155 Cb 0.47 -0.43 0.02 0.00 -0.02 0.00 0.00 31.44 31.48 1s2l n GLU 155 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s2l n PRO 157 N -3.85 1.95 -1.98 0.00 -0.02 -1.26 -4.93 135.00 124.91 1s2l n PRO 157 Ca -0.18 0.69 -0.33 0.00 -2.02 0.00 0.00 63.50 61.66 1s2l n PRO 157 Cb 0.61 -2.28 0.02 0.00 -0.02 0.00 0.00 33.50 31.83 1s2l n PRO 157 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1s2l s SER 158 N -0.03 5.50 -0.42 2.55 0.01 -1.26 -4.79 113.70 115.26 1s2l s SER 158 Ca 0.63 1.96 0.07 0.00 1.31 0.00 0.00 55.95 59.92 1s2l s SER 158 Cb -0.64 -2.55 0.18 0.00 0.21 0.00 0.00 66.02 63.22 1s2l s SER 158 CO 0.55 -1.36 0.62 0.21 0.41 0.00 0.00 173.24 173.67 1s2l s ASN 159 N -2.48 -1.20 0.48 2.44 2.47 0.59 -4.95 114.94 112.28 1s2l s ASN 159 Ca 0.67 -1.05 -0.22 0.00 0.42 0.00 0.00 52.86 52.68 1s2l s ASN 159 Cb -0.19 1.78 -0.09 0.00 -1.45 0.00 0.00 41.25 41.29 1s2l s ASN 159 CO 0.36 -0.16 0.84 -2.65 -3.72 0.00 0.00 177.10 171.77 1s2l n PRO 160 N 4.14 0.98 -2.34 0.43 -0.02 -1.25 -1.76 135.00 135.17 1s2l n PRO 160 Ca 0.12 0.36 -0.41 0.00 -2.02 0.00 0.00 63.50 61.55 1s2l n PRO 160 Cb 0.55 -1.91 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 1s2l n PRO 160 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s2l s VAL 161 N -1.43 3.56 0.08 -1.45 1.01 -1.26 -4.77 120.40 116.14 1s2l s VAL 161 Ca 0.67 1.26 -0.11 0.00 0.00 0.00 0.00 61.98 63.80 1s2l s VAL 161 Cb -0.52 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.06 1s2l s VAL 161 CO 0.55 0.18 0.24 -0.13 0.00 0.00 0.00 175.10 175.94 1s2l s ARG 162 N 0.06 0.85 0.00 2.72 0.52 -1.26 -4.91 118.95 116.93 1s2l s ARG 162 Ca 0.55 -0.79 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 1s2l s ARG 162 Cb -0.33 0.35 0.00 0.00 0.52 0.00 0.00 34.95 35.49 1s2l s ARG 162 CO 0.35 -0.28 0.00 0.41 0.02 0.00 0.00 175.30 175.81 1s2l n GLY 163 N 0.14 0.72 3.30 -3.53 0.00 -1.26 -5.05 105.19 99.52 1s2l n GLY 163 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1s2l n GLY 163 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s2l s TYR 164 N -2.36 2.64 0.46 1.61 2.02 -1.26 -4.90 117.35 115.55 1s2l s TYR 164 Ca 0.00 -0.77 -0.24 0.00 -0.37 0.00 0.00 57.07 55.69 1s2l s TYR 164 Cb 0.00 -1.73 -0.07 0.00 -0.40 0.00 0.00 41.96 39.76 1s2l s TYR 164 CO 0.00 -0.25 1.28 0.20 -1.57 0.00 0.00 175.55 175.21 1s2l s GLY 165 N 0.15 2.87 -0.03 0.71 0.00 0.11 -4.74 107.32 106.38 1s2l s GLY 165 Ca -0.11 1.18 0.07 0.00 0.00 0.00 0.00 44.72 45.87 1s2l s GLY 165 CO 0.06 1.71 -0.25 -0.42 0.00 0.00 0.00 173.10 174.20 1s2l s ILE 166 N -1.35 2.10 0.00 0.90 1.01 -1.26 -0.74 121.20 121.86 1s2l s ILE 166 Ca 0.63 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1s2l s ILE 166 Cb -0.36 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.37 1s2l s ILE 166 CO 0.45 0.58 0.05 0.00 0.00 0.00 0.00 174.94 176.02