#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a0l s VAL 17 N 0.00 4.17 0.00 1.39 1.01 -0.49 -4.32 120.40 122.16 1a0l s VAL 17 Ca 0.00 2.09 0.00 0.00 0.00 0.00 0.00 61.98 64.07 1a0l s VAL 17 Cb 0.00 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1a0l s VAL 17 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1a0l n GLY 18 N 1.67 -1.70 7.00 4.51 0.00 -1.25 -2.74 105.19 112.68 1a0l n GLY 18 Ca -0.01 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1a0l n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a0l n GLY 19 N 0.00 -1.29 3.36 -0.02 0.00 -1.26 -4.85 105.19 101.12 1a0l n GLY 19 Ca 0.00 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 1a0l n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1a0l s GLN 20 N 0.00 1.47 0.11 1.61 -2.07 -0.50 -4.99 119.66 115.29 1a0l s GLN 20 Ca 0.00 -1.60 -0.30 0.00 -1.82 0.00 0.00 55.36 51.64 1a0l s GLN 20 Cb 0.00 0.36 -0.06 0.00 -1.09 0.00 0.00 33.01 32.21 1a0l s GLN 20 CO 0.00 -0.55 1.11 -2.00 -1.32 0.00 0.00 175.29 172.53 1a0l s GLU 21 N -3.87 4.54 0.44 9.60 2.12 -1.26 -0.66 118.70 129.61 1a0l s GLU 21 Ca 0.34 1.68 -0.18 0.00 0.36 0.00 0.00 54.97 57.17 1a0l s GLU 21 Cb 0.03 -3.33 -0.09 0.00 0.26 0.00 0.00 34.13 31.00 1a0l s GLU 21 CO 0.14 -0.04 0.91 0.00 -0.54 0.00 0.00 175.26 175.73 1a0l s ALA 22 N 0.35 3.12 0.42 6.30 0.00 0.42 -4.82 121.76 127.56 1a0l s ALA 22 Ca 0.53 0.21 -0.26 0.00 0.00 0.00 0.00 51.96 52.43 1a0l s ALA 22 Cb -0.28 -3.04 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 1a0l s ALA 22 CO 0.32 0.02 1.44 -2.30 0.00 0.00 0.00 175.76 175.24 1a0l n PRO 23 N -0.98 2.36 0.00 0.00 -0.02 -1.26 -4.84 135.00 130.27 1a0l n PRO 23 Ca 0.06 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1a0l n PRO 23 Cb 0.54 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1a0l n PRO 23 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1a0l n ARG 24 N 0.04 0.00 -2.72 -0.52 0.63 -1.26 -1.39 116.66 111.44 1a0l n ARG 24 Ca 0.04 0.18 -0.05 0.00 -0.92 0.00 0.00 57.85 57.10 1a0l n ARG 24 Cb 0.40 -1.51 0.04 0.00 0.45 0.00 0.00 32.46 31.84 1a0l n ARG 24 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1a0l n SER 25 N -1.16 1.89 -0.07 6.15 3.41 -1.26 -4.91 113.62 117.66 1a0l n SER 25 Ca 0.00 -2.37 -0.12 0.00 -0.26 0.00 0.00 58.87 56.12 1a0l n SER 25 Cb 0.01 -0.48 -0.06 0.00 -0.26 0.00 0.00 64.21 63.42 1a0l n SER 25 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1a0l n LYS 26 N -0.47 0.35 -3.43 4.33 4.76 -0.49 -4.87 118.16 118.34 1a0l n LYS 26 Ca 0.11 0.10 -0.27 0.00 -2.87 0.00 0.00 58.31 55.38 1a0l n LYS 26 Cb 0.81 -1.23 -0.08 0.00 -1.84 0.00 0.00 35.03 32.69 1a0l n LYS 26 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1a0l n TRP 27 N -3.11 2.91 -0.05 2.13 7.02 -1.26 -4.93 117.44 120.15 1a0l n TRP 27 Ca -0.27 -4.06 0.23 0.00 -1.02 0.00 0.00 57.50 52.38 1a0l n TRP 27 Cb 0.76 -0.52 0.71 0.00 -2.42 0.00 0.00 31.31 29.84 1a0l n TRP 27 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 1a0l h PRO 28 N 4.29 0.00 0.00 -0.99 0.13 -1.83 -1.65 132.00 131.95 1a0l h PRO 28 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1a0l h PRO 28 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1a0l h PRO 28 CO 0.76 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.64 1a0l h TRP 29 N 0.00 0.00 -3.10 1.56 0.09 -1.79 -3.10 115.95 109.60 1a0l h TRP 29 Ca 0.31 0.00 -0.56 0.00 0.09 0.00 0.00 58.89 58.72 1a0l h TRP 29 Cb 1.26 0.00 0.09 0.00 0.08 0.00 0.00 29.16 30.60 1a0l h TRP 29 CO 0.00 0.00 0.66 1.04 0.09 0.00 0.00 178.44 180.23 1a0l n GLN 30 N -2.50 2.27 -4.15 0.12 1.13 -0.62 0.23 117.38 113.85 1a0l n GLN 30 Ca 0.05 0.80 -0.10 0.00 -1.94 0.00 0.00 57.00 55.81 1a0l n GLN 30 Cb 0.44 -2.47 -0.10 0.00 0.11 0.00 0.00 30.24 28.22 1a0l n GLN 30 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1a0l s VAL 31 N -0.44 0.52 -0.10 5.09 -7.23 0.13 -1.28 120.40 117.09 1a0l s VAL 31 Ca 0.62 -1.90 0.02 0.00 -1.81 0.00 0.00 61.98 58.91 1a0l s VAL 31 Cb -0.58 -1.70 0.01 0.00 0.56 0.00 0.00 36.38 34.67 1a0l s VAL 31 CO 0.54 -0.84 -0.14 -0.55 -0.31 0.00 0.00 175.10 173.80 1a0l s SER 32 N -3.02 2.29 0.02 4.85 0.15 -0.38 -1.90 113.70 115.71 1a0l s SER 32 Ca 0.12 -0.39 -0.22 0.00 0.70 0.00 0.00 55.95 56.17 1a0l s SER 32 Cb 0.06 -1.02 -0.06 0.00 -1.71 0.00 0.00 66.02 63.30 1a0l s SER 32 CO -0.05 0.01 0.64 -0.76 1.20 0.00 0.00 173.24 174.29 1a0l s LEU 33 N 0.96 4.44 -0.05 3.45 1.43 0.31 -2.00 118.68 127.22 1a0l s LEU 33 Ca -0.08 1.26 0.06 0.00 -1.03 0.00 0.00 54.13 54.34 1a0l s LEU 33 Cb -0.15 -3.01 -0.02 0.00 0.03 0.00 0.00 46.19 43.04 1a0l s LEU 33 CO -0.01 0.10 -0.22 -0.13 0.23 0.00 0.00 176.35 176.32 1a0l s ARG 34 N -0.27 2.43 -0.05 1.70 1.81 0.89 -1.39 118.95 124.06 1a0l s ARG 34 Ca 0.33 -0.85 -0.03 0.00 -1.72 0.00 0.00 55.73 53.46 1a0l s ARG 34 Cb -0.19 -2.20 -0.04 0.00 -0.45 0.00 0.00 34.95 32.07 1a0l s ARG 34 CO 0.19 0.50 0.11 0.08 -0.68 0.00 0.00 175.30 175.51 1a0l s VAL 35 N -0.45 5.10 -0.50 3.52 1.01 0.50 -1.70 120.40 127.89 1a0l s VAL 35 Ca 0.05 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 1a0l s VAL 35 Cb -0.12 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 33.00 1a0l s VAL 35 CO 0.01 0.46 1.26 -2.28 0.00 0.00 0.00 175.10 174.56 1a0l s HIS 36 N -1.13 2.58 0.00 5.22 2.46 -0.07 -1.90 115.29 122.44 1a0l s HIS 36 Ca 0.20 0.60 0.00 0.00 0.47 0.00 0.00 55.06 56.33 1a0l s HIS 36 Cb -0.12 -4.42 0.00 0.00 -0.13 0.00 0.00 32.58 27.91 1a0l s HIS 36 CO 0.10 -1.64 0.00 0.41 -2.47 0.00 0.00 174.74 171.15 1a0l n GLY 37 N 5.03 2.96 0.29 1.59 0.00 -1.26 -4.92 105.19 108.88 1a0l n GLY 37 Ca 0.12 -0.67 0.17 0.00 0.00 0.00 0.00 46.02 45.65 1a0l n GLY 37 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a0l h PRO 37 N 0.00 0.00 -3.27 1.61 0.11 -2.03 -3.45 132.00 124.97 1a0l h PRO 37 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1a0l h PRO 37 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.02 1a0l h PRO 37 CO 0.00 0.05 0.06 1.52 -0.21 0.00 0.00 178.00 179.42 1a0l s TYR 37 N -4.06 -0.11 -0.92 0.65 1.13 -1.26 -5.07 117.35 107.71 1a0l s TYR 37 Ca -0.03 -0.24 -0.24 0.00 -1.41 0.00 0.00 57.07 55.15 1a0l s TYR 37 Cb 0.12 0.43 0.02 0.00 -1.10 0.00 0.00 41.96 41.43 1a0l s TYR 37 CO 0.52 -0.97 1.58 -1.58 -2.51 0.00 0.00 175.55 172.59 1a0l s TRP 38 N -3.89 2.24 0.24 -3.49 0.52 -1.26 -4.61 118.94 108.70 1a0l s TRP 38 Ca 0.10 -0.23 -0.15 0.00 0.02 0.00 0.00 56.10 55.84 1a0l s TRP 38 Cb -0.02 -4.48 -0.08 0.00 -1.15 0.00 0.00 33.47 27.74 1a0l s TRP 38 CO -0.01 -1.94 0.66 0.00 0.02 0.00 0.00 176.95 175.68 1a0l s MET 39 N 5.76 4.03 0.14 4.98 0.23 -0.80 -4.72 119.30 128.93 1a0l s MET 39 Ca 0.52 0.62 -0.30 0.00 -1.03 0.00 0.00 55.69 55.50 1a0l s MET 39 Cb -0.04 -2.71 -0.07 0.00 -1.53 0.00 0.00 34.83 30.49 1a0l s MET 39 CO -0.02 0.32 1.11 -1.58 -2.03 0.00 0.00 175.02 172.83 1a0l s HIS 40 N -1.71 3.56 0.00 3.16 2.46 -1.26 -0.37 115.29 121.14 1a0l s HIS 40 Ca 0.46 1.54 0.00 0.00 0.47 0.00 0.00 55.06 57.53 1a0l s HIS 40 Cb -0.13 -3.29 0.00 0.00 -0.13 0.00 0.00 32.58 29.02 1a0l s HIS 40 CO 0.19 -0.71 0.00 1.97 -2.47 0.00 0.00 174.74 173.73 1a0l n PHE 41 N 2.85 0.00 -3.48 3.88 -1.74 -0.48 -4.93 117.46 113.56 1a0l n PHE 41 Ca 0.04 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.83 1a0l n PHE 41 Cb 0.47 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.44 1a0l n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1a0l n GLY 43 N -0.17 0.65 0.00 0.00 0.00 0.08 -0.53 105.19 105.23 1a0l n GLY 43 Ca -0.12 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1a0l n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a0l n GLY 44 N 0.85 0.76 3.35 -0.02 0.00 -0.80 -3.74 105.19 105.60 1a0l n GLY 44 Ca 0.09 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 1a0l n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a0l s SER 45 N 0.00 3.02 -0.33 1.61 1.04 -0.20 0.18 113.70 119.02 1a0l s SER 45 Ca 0.00 -0.71 -0.22 0.00 0.48 0.00 0.00 55.95 55.50 1a0l s SER 45 Cb 0.00 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1a0l s SER 45 CO 0.00 0.14 0.70 -0.22 0.98 0.00 0.00 173.24 174.84 1a0l s LEU 46 N -1.94 4.16 0.00 2.42 2.96 0.14 -0.51 118.68 125.90 1a0l s LEU 46 Ca 0.11 0.38 0.08 0.00 -0.22 0.00 0.00 54.13 54.47 1a0l s LEU 46 Cb -0.10 -2.91 0.01 0.00 0.50 0.00 0.00 46.19 43.70 1a0l s LEU 46 CO 0.05 -0.60 0.59 2.30 -1.32 0.00 0.00 176.35 177.38 1a0l n ILE 47 N 5.57 0.00 -3.63 6.68 -5.35 -1.03 -1.25 119.36 120.35 1a0l n ILE 47 Ca 0.01 -0.44 -0.11 0.00 -0.27 0.00 0.00 62.75 61.94 1a0l n ILE 47 Cb 0.48 1.11 -0.07 0.00 -1.74 0.00 0.00 39.64 39.42 1a0l n ILE 47 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1a0l s HIS 48 N -1.02 -0.65 -0.85 4.28 5.04 -1.20 -4.71 115.29 116.19 1a0l s HIS 48 Ca 0.07 1.55 0.00 0.00 -1.54 0.00 0.00 55.06 55.14 1a0l s HIS 48 Cb 0.06 0.33 0.00 0.00 0.04 0.00 0.00 32.58 33.01 1a0l s HIS 48 CO 0.17 -0.31 0.43 -2.30 -2.34 0.00 0.00 174.74 170.39 1a0l n PRO 49 N 2.57 0.00 -0.29 2.88 -0.02 -1.26 -0.50 135.00 138.38 1a0l n PRO 49 Ca -0.14 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1a0l n PRO 49 Cb 0.56 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 1a0l n PRO 49 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1a0l n GLN 50 N -0.93 0.00 -3.80 -0.52 7.27 -1.26 0.49 117.38 118.63 1a0l n GLN 50 Ca 0.00 -0.73 -0.16 0.00 0.07 0.00 0.00 57.00 56.19 1a0l n GLN 50 Cb 0.08 -0.46 -0.16 0.00 2.41 0.00 0.00 30.24 32.12 1a0l n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1a0l s TRP 51 N 0.00 0.09 -0.15 3.69 0.52 0.35 -1.19 118.94 122.24 1a0l s TRP 51 Ca 0.00 0.11 -0.03 0.00 0.02 0.00 0.00 56.10 56.20 1a0l s TRP 51 Cb 0.00 -0.28 -0.02 0.00 -1.15 0.00 0.00 33.47 32.01 1a0l s TRP 51 CO 0.00 -0.10 -0.06 0.08 0.02 0.00 0.00 176.95 176.89 1a0l s VAL 52 N 1.11 3.69 -0.18 4.03 1.01 0.76 -2.45 120.40 128.37 1a0l s VAL 52 Ca -0.09 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 1a0l s VAL 52 Cb -0.13 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 1a0l s VAL 52 CO -0.03 0.50 0.14 -0.22 0.00 0.00 0.00 175.10 175.49 1a0l s LEU 53 N 0.40 4.25 0.27 3.92 2.96 0.33 0.01 118.68 130.82 1a0l s LEU 53 Ca -0.05 0.30 -0.18 0.00 -0.22 0.00 0.00 54.13 53.98 1a0l s LEU 53 Cb -0.15 -2.10 0.01 0.00 0.50 0.00 0.00 46.19 44.45 1a0l s LEU 53 CO 0.03 0.22 0.64 0.28 -1.32 0.00 0.00 176.35 176.21 1a0l s THR 54 N 0.07 0.00 0.26 3.68 -1.32 -0.07 -1.03 115.64 117.23 1a0l s THR 54 Ca 0.10 -1.14 -0.29 0.00 -1.21 0.00 0.00 61.69 59.14 1a0l s THR 54 Cb -0.11 -2.10 -0.09 0.00 -1.51 0.00 0.00 72.50 68.68 1a0l s THR 54 CO -0.00 0.00 1.21 0.00 -2.21 0.00 0.00 174.62 173.62 1a0l s ALA 55 N -3.90 3.46 0.29 11.08 0.00 -1.26 0.15 121.76 131.58 1a0l s ALA 55 Ca 0.15 1.04 -0.02 0.00 0.00 0.00 0.00 51.96 53.14 1a0l s ALA 55 Cb -0.04 -3.41 0.44 0.00 0.00 0.00 0.00 23.12 20.11 1a0l s ALA 55 CO 0.08 -0.40 1.93 0.00 0.00 0.00 0.00 175.76 177.38 1a0l h ALA 56 N 4.21 1.43 0.00 0.00 0.00 -1.65 -2.12 119.26 121.12 1a0l h ALA 56 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1a0l h ALA 56 Cb 1.22 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1a0l h ALA 56 CO 0.70 0.49 0.00 1.12 0.00 0.00 0.00 179.25 181.55 1a0l h HIS 57 N 1.13 0.00 0.00 0.00 2.07 -1.88 0.60 115.15 117.08 1a0l h HIS 57 Ca 0.36 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.81 1a0l h HIS 57 Cb 0.01 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.98 1a0l h HIS 57 CO -0.00 0.00 -0.33 0.00 -3.07 0.00 0.00 177.93 174.53 1a0l n VAL 59 N -3.44 0.00 -3.16 0.00 0.24 -0.25 -5.04 118.33 106.68 1a0l n VAL 59 Ca 0.00 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 1a0l n VAL 59 Cb 0.51 1.28 0.00 0.00 -1.47 0.00 0.00 33.84 34.16 1a0l n VAL 59 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a0l n GLY 60 N 0.20 6.38 0.27 7.63 0.00 0.20 -4.25 105.19 115.62 1a0l n GLY 60 Ca 0.00 -1.83 0.13 0.00 0.00 0.00 0.00 46.02 44.33 1a0l n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a0l h PRO 60 N 0.00 0.00 -6.90 1.61 0.13 -1.81 -3.43 132.00 121.59 1a0l h PRO 60 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 1a0l h PRO 60 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 1a0l h PRO 60 CO 0.00 0.10 0.61 -0.51 -0.23 0.00 0.00 178.00 177.97 1a0l s ASP 60 N -6.12 6.65 0.01 1.44 1.01 -1.26 -4.95 116.67 113.45 1a0l s ASP 60 Ca -0.03 2.62 -0.30 0.00 0.71 0.00 0.00 52.55 55.54 1a0l s ASP 60 Cb 0.13 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.36 1a0l s ASP 60 CO 0.58 -0.61 1.47 -0.69 0.21 0.00 0.00 175.17 176.13 1a0l s VAL 60 N -1.20 3.56 0.16 -1.27 1.01 -1.26 -4.96 120.40 116.44 1a0l s VAL 60 Ca 0.52 0.94 0.02 0.00 0.00 0.00 0.00 61.98 63.46 1a0l s VAL 60 Cb -0.38 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1a0l s VAL 60 CO 0.50 -0.01 0.30 -0.54 0.00 0.00 0.00 175.10 175.34 1a0l s LYS 60 N 2.59 3.45 -0.05 2.72 -0.14 -1.26 -5.08 119.74 121.96 1a0l s LYS 60 Ca 0.67 -0.58 -0.21 0.00 -1.36 0.00 0.00 55.97 54.48 1a0l s LYS 60 Cb -0.33 -2.95 -0.05 0.00 -1.68 0.00 0.00 37.83 32.82 1a0l s LYS 60 CO 0.28 0.50 0.61 0.34 -0.76 0.00 0.00 175.35 176.32 1a0l s ASP 60 N -3.27 6.93 0.48 2.83 2.15 -1.26 -4.97 116.67 119.55 1a0l s ASP 60 Ca 0.35 1.11 0.22 0.00 0.43 0.00 0.00 52.55 54.65 1a0l s ASP 60 Cb -0.11 -2.37 1.21 0.00 -0.30 0.00 0.00 42.92 41.36 1a0l s ASP 60 CO 0.29 0.00 2.01 -0.07 -0.17 0.00 0.00 175.17 177.23 1a0l h LEU 61 N 6.24 0.00 -1.73 -1.34 4.07 -1.91 -2.22 115.31 118.42 1a0l h LEU 61 Ca -0.43 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.51 1a0l h LEU 61 Cb 1.20 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.93 1a0l h LEU 61 CO 0.73 0.17 -0.12 0.00 -1.08 0.00 0.00 178.44 178.14 1a0l h ALA 62 N 1.83 1.14 0.00 1.53 0.00 -1.93 -2.54 119.26 119.30 1a0l h ALA 62 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1a0l h ALA 62 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1a0l h ALA 62 CO 0.02 0.15 -0.89 0.00 0.00 0.00 0.00 179.25 178.54 1a0l n ALA 63 N -2.22 3.09 -2.91 0.00 0.00 -0.84 -4.91 120.51 112.72 1a0l n ALA 63 Ca -0.01 -0.32 -0.30 0.00 0.00 0.00 0.00 53.44 52.81 1a0l n ALA 63 Cb 0.28 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.63 1a0l n ALA 63 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1a0l s LEU 64 N -4.23 4.35 -0.18 0.00 0.20 -0.96 -0.89 118.68 116.97 1a0l s LEU 64 Ca 0.04 0.27 -0.27 0.00 0.69 0.00 0.00 54.13 54.86 1a0l s LEU 64 Cb 0.13 -2.97 0.07 0.00 -0.43 0.00 0.00 46.19 42.99 1a0l s LEU 64 CO 0.77 0.13 0.70 -0.60 -0.29 0.00 0.00 176.35 177.06 1a0l s ARG 65 N -2.69 0.92 -0.11 1.98 3.52 -0.69 -4.41 118.95 117.46 1a0l s ARG 65 Ca 0.35 0.69 -0.01 0.00 -0.13 0.00 0.00 55.73 56.63 1a0l s ARG 65 Cb -0.12 0.44 -0.03 0.00 -1.56 0.00 0.00 34.95 33.68 1a0l s ARG 65 CO 0.28 -0.19 -0.06 0.08 -0.81 0.00 0.00 175.30 174.60 1a0l s VAL 66 N -0.26 3.77 -0.10 7.11 1.01 0.42 -0.08 120.40 132.27 1a0l s VAL 66 Ca -0.05 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1a0l s VAL 66 Cb -0.03 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1a0l s VAL 66 CO 0.05 0.55 -0.19 -1.58 0.00 0.00 0.00 175.10 173.92 1a0l s GLN 67 N -0.22 3.08 1.03 2.72 2.00 -0.85 -0.52 119.66 126.91 1a0l s GLN 67 Ca 0.03 -0.80 -0.15 0.00 -2.00 0.00 0.00 55.36 52.44 1a0l s GLN 67 Cb -0.13 -2.41 0.21 0.00 0.80 0.00 0.00 33.01 31.48 1a0l s GLN 67 CO 0.03 0.24 1.15 -0.51 -0.50 0.00 0.00 175.29 175.70 1a0l s LEU 68 N 0.22 1.59 -0.31 3.68 1.43 -1.26 -1.25 118.68 122.78 1a0l s LEU 68 Ca -0.12 0.78 -0.38 0.00 -1.03 0.00 0.00 54.13 53.38 1a0l s LEU 68 Cb -0.16 -2.84 -0.14 0.00 0.03 0.00 0.00 46.19 43.08 1a0l s LEU 68 CO 0.07 -3.22 1.97 -1.14 0.23 0.00 0.00 176.35 174.25 1a0l n ARG 69 N -4.18 1.14 -4.05 1.70 0.00 -0.41 -4.72 116.66 106.14 1a0l n ARG 69 Ca 0.10 0.38 -0.16 0.00 -0.00 0.00 0.00 57.85 58.16 1a0l n ARG 69 Cb 0.59 -2.26 -0.15 0.00 0.00 0.00 0.00 32.46 30.64 1a0l n ARG 69 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1a0l s GLU 70 N 4.86 0.39 0.30 -0.14 -1.05 -1.26 -4.98 118.70 116.83 1a0l s GLU 70 Ca 1.04 -0.06 0.03 0.00 -0.15 0.00 0.00 54.97 55.83 1a0l s GLU 70 Cb -0.98 -0.45 0.61 0.00 -0.44 0.00 0.00 34.13 32.86 1a0l s GLU 70 CO 0.58 -0.02 1.85 0.37 0.95 0.00 0.00 175.26 179.00 1a0l h GLN 71 N 6.65 0.91 -3.89 -4.83 5.75 -1.93 -3.40 115.11 114.37 1a0l h GLN 71 Ca -0.35 -0.05 -0.55 0.00 -0.15 0.00 0.00 58.65 57.55 1a0l h GLN 71 Cb 1.17 -0.21 -0.39 0.00 1.07 0.00 0.00 27.48 29.12 1a0l h GLN 71 CO 0.49 0.60 -0.77 -1.01 -2.65 0.00 0.00 178.83 175.49 1a0l s HIS 72 N -5.89 1.56 0.04 3.99 3.76 -1.26 -1.57 115.29 115.92 1a0l s HIS 72 Ca -0.11 -1.17 -0.03 0.00 -0.15 0.00 0.00 55.06 53.60 1a0l s HIS 72 Cb 0.22 -1.24 0.05 0.00 1.11 0.00 0.00 32.58 32.72 1a0l s HIS 72 CO 0.80 -0.66 0.27 1.28 -0.85 0.00 0.00 174.74 175.58 1a0l n LEU 73 N 4.90 -0.10 -0.31 0.89 4.77 -0.88 -1.91 117.00 124.36 1a0l n LEU 73 Ca -0.10 0.30 0.03 0.00 -0.03 0.00 0.00 56.01 56.22 1a0l n LEU 73 Cb 0.46 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.53 1a0l n LEU 73 CO 0.15 -0.28 0.44 -1.22 -1.33 0.00 0.00 177.39 175.15 1a0l n TYR 74 N -4.26 0.11 0.43 -1.77 4.01 -1.26 -4.76 117.16 109.65 1a0l n TYR 74 Ca 0.02 -0.20 -0.17 0.00 -0.16 0.00 0.00 57.90 57.39 1a0l n TYR 74 Cb 0.07 -0.01 -0.08 0.00 -0.31 0.00 0.00 39.34 39.01 1a0l n TYR 74 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1a0l h TYR 75 N 1.25 -1.01 -1.86 -0.72 3.20 -1.74 -3.35 116.97 112.74 1a0l h TYR 75 Ca 0.00 -0.02 -0.62 0.00 3.14 0.00 0.00 58.73 61.23 1a0l h TYR 75 Cb 0.42 0.33 -0.40 0.00 1.54 0.00 0.00 36.73 38.63 1a0l h TYR 75 CO 0.05 -0.63 -0.43 1.04 -1.64 0.00 0.00 178.16 176.56 1a0l n GLN 79 N -5.11 3.43 -1.63 1.82 1.13 -1.26 -5.06 117.38 110.69 1a0l n GLN 79 Ca -0.14 -4.54 -0.43 0.00 -1.94 0.00 0.00 57.00 49.95 1a0l n GLN 79 Cb 0.43 -2.26 -0.01 0.00 0.11 0.00 0.00 30.24 28.51 1a0l n GLN 79 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1a0l n ASP 80 N -0.39 1.77 -3.05 1.08 8.00 -1.26 -4.93 116.55 117.77 1a0l n ASP 80 Ca 0.38 1.15 -0.17 0.00 0.71 0.00 0.00 54.79 56.87 1a0l n ASP 80 Cb 0.51 -1.37 -0.03 0.00 -0.02 0.00 0.00 41.12 40.20 1a0l n ASP 80 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1a0l n GLN 81 N 0.52 0.51 -2.12 -1.24 7.27 -1.26 -5.13 117.38 115.93 1a0l n GLN 81 Ca 0.08 -2.60 -0.41 0.00 0.07 0.00 0.00 57.00 54.14 1a0l n GLN 81 Cb 0.35 -1.47 -0.02 0.00 2.41 0.00 0.00 30.24 31.50 1a0l n GLN 81 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1a0l s LEU 82 N -0.15 4.42 -0.07 1.69 2.01 -1.26 -4.55 118.68 120.76 1a0l s LEU 82 Ca 0.32 2.61 0.04 0.00 0.01 0.00 0.00 54.13 57.11 1a0l s LEU 82 Cb 0.10 -3.63 -0.02 0.00 0.01 0.00 0.00 46.19 42.65 1a0l s LEU 82 CO -0.15 -0.57 -0.19 -0.76 1.01 0.00 0.00 176.35 175.70 1a0l s LEU 83 N -1.05 2.45 0.58 1.79 1.43 0.32 -4.98 118.68 119.22 1a0l s LEU 83 Ca 0.53 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 53.18 1a0l s LEU 83 Cb -0.39 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 1a0l s LEU 83 CO 0.47 0.26 0.94 -2.16 0.23 0.00 0.00 176.35 176.09 1a0l s PRO 84 N -0.22 3.47 -0.10 1.29 0.04 -1.26 -0.43 135.00 137.78 1a0l s PRO 84 Ca -0.01 0.48 -0.03 0.00 0.04 0.00 0.00 61.00 61.48 1a0l s PRO 84 Cb -0.13 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 1a0l s PRO 84 CO 0.03 -0.49 0.03 0.14 0.04 0.00 0.00 177.00 176.75 1a0l s VAL 85 N -3.03 4.55 -0.07 -0.36 -7.23 -1.26 -3.04 120.40 109.96 1a0l s VAL 85 Ca 0.52 -0.15 -0.12 0.00 -1.81 0.00 0.00 61.98 60.42 1a0l s VAL 85 Cb -0.11 -2.94 -0.30 0.00 0.56 0.00 0.00 36.38 33.60 1a0l s VAL 85 CO 0.50 0.59 0.62 -1.28 -0.31 0.00 0.00 175.10 175.22 1a0l h SER 86 N 5.32 0.55 -5.03 4.85 0.87 0.04 -3.45 113.55 116.69 1a0l h SER 86 Ca -0.50 -0.92 -0.10 0.00 -1.23 0.00 0.00 61.79 59.04 1a0l h SER 86 Cb 1.20 -0.18 -0.18 0.00 -0.44 0.00 0.00 62.40 62.80 1a0l h SER 86 CO 0.57 1.75 -0.28 -0.60 -0.53 0.00 0.00 176.83 177.74 1a0l s ARG 87 N -2.55 0.74 -0.16 2.24 3.52 -0.88 -4.96 118.95 116.91 1a0l s ARG 87 Ca -0.17 -0.42 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 1a0l s ARG 87 Cb 0.05 0.32 0.03 0.00 -1.56 0.00 0.00 34.95 33.79 1a0l s ARG 87 CO 0.83 -0.22 -0.11 0.42 -0.81 0.00 0.00 175.30 175.40 1a0l s ILE 88 N -2.14 1.42 -0.48 4.11 1.01 -1.26 -0.09 121.20 123.77 1a0l s ILE 88 Ca -0.08 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 59.95 1a0l s ILE 88 Cb -0.02 -1.43 0.12 0.00 0.01 0.00 0.00 42.46 41.14 1a0l s ILE 88 CO -0.01 0.32 0.22 -0.63 0.00 0.00 0.00 174.94 174.84 1a0l s ILE 89 N 1.53 2.57 0.53 2.92 1.01 0.87 -4.98 121.20 125.64 1a0l s ILE 89 Ca 0.03 -3.06 -0.12 0.00 0.00 0.00 0.00 60.65 57.50 1a0l s ILE 89 Cb -0.14 -2.81 -0.06 0.00 0.01 0.00 0.00 42.46 39.47 1a0l s ILE 89 CO -0.09 -0.75 0.94 -0.69 0.00 0.00 0.00 174.94 174.34 1a0l s VAL 90 N 0.02 4.69 -0.01 2.92 1.01 -1.26 -0.58 120.40 127.19 1a0l s VAL 90 Ca 0.15 0.86 -0.30 0.00 0.00 0.00 0.00 61.98 62.70 1a0l s VAL 90 Cb -0.24 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1a0l s VAL 90 CO -0.02 -0.84 1.10 -2.28 0.00 0.00 0.00 175.10 173.06 1a0l s HIS 91 N -2.79 3.47 0.47 5.22 2.46 -1.08 -4.94 115.29 118.09 1a0l s HIS 91 Ca 0.55 1.45 0.22 0.00 0.47 0.00 0.00 55.06 57.75 1a0l s HIS 91 Cb -0.10 -3.29 1.24 0.00 -0.13 0.00 0.00 32.58 30.30 1a0l s HIS 91 CO 0.41 -0.72 1.90 -1.00 -2.47 0.00 0.00 174.74 172.86 1a0l h PRO 92 N 6.98 0.22 -0.19 2.88 0.13 -1.93 -0.58 132.00 139.51 1a0l h PRO 92 Ca -0.38 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1a0l h PRO 92 Cb 1.20 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1a0l h PRO 92 CO 0.81 0.15 0.00 1.04 -0.23 0.00 0.00 178.00 179.77 1a0l n GLN 93 N -4.42 1.08 -3.69 0.86 6.02 -1.26 -4.86 117.38 111.11 1a0l n GLN 93 Ca 0.17 -0.11 -0.36 0.00 -0.01 0.00 0.00 57.00 56.69 1a0l n GLN 93 Cb 0.72 -1.11 -0.07 0.00 1.02 0.00 0.00 30.24 30.81 1a0l n GLN 93 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1a0l s PHE 94 N -1.81 3.51 0.00 1.08 5.36 -0.23 -4.79 117.98 121.10 1a0l s PHE 94 Ca 0.02 0.53 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 1a0l s PHE 94 Cb 0.01 -2.16 0.00 0.00 -0.34 0.00 0.00 43.02 40.53 1a0l s PHE 94 CO 0.01 0.44 0.00 0.98 -1.46 0.00 0.00 175.22 175.19 1a0l n TYR 95 N 2.93 0.00 -3.87 10.12 9.36 -1.26 -4.83 117.16 129.61 1a0l n TYR 95 Ca -0.16 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 60.95 1a0l n TYR 95 Cb 0.53 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 39.14 1a0l n TYR 95 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1a0l s THR 96 N -1.00 0.08 0.16 2.97 2.01 -1.26 -4.61 115.64 113.99 1a0l s THR 96 Ca 0.00 -0.68 -0.10 0.00 0.31 0.00 0.00 61.69 61.21 1a0l s THR 96 Cb 0.00 -0.43 0.01 0.00 0.01 0.00 0.00 72.50 72.09 1a0l s THR 96 CO 0.00 -0.38 1.56 0.00 -0.69 0.00 0.00 174.62 175.11 1a0l h ALA 97 N 4.29 0.69 -0.06 7.40 0.00 -1.96 -2.46 119.26 127.16 1a0l h ALA 97 Ca -0.31 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.16 1a0l h ALA 97 Cb 1.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1a0l h ALA 97 CO 0.41 0.65 -0.26 1.96 0.00 0.00 0.00 179.25 182.00 1a0l h GLN 98 N 0.85 0.11 0.00 0.00 7.50 -1.97 -0.91 115.11 120.69 1a0l h GLN 98 Ca 0.12 -0.03 -0.02 0.00 0.50 0.00 0.00 58.65 59.21 1a0l h GLN 98 Cb 0.75 -0.01 -0.00 0.00 0.05 0.00 0.00 27.48 28.26 1a0l h GLN 98 CO 0.06 0.37 -0.10 0.82 -1.50 0.00 0.00 178.83 178.47 1a0l h ILE 99 N 0.10 0.19 0.00 2.54 2.04 -1.91 -3.47 117.51 117.00 1a0l h ILE 99 Ca 0.02 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.74 1a0l h ILE 99 Cb 0.52 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1a0l h ILE 99 CO 0.04 0.10 0.00 0.61 0.00 0.00 0.00 178.15 178.90 1a0l n GLY 100 N 0.88 -3.43 2.46 5.37 0.00 -0.35 -5.01 105.19 105.11 1a0l n GLY 100 Ca 0.03 -2.12 -0.15 0.00 0.00 0.00 0.00 46.02 43.78 1a0l n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a0l n ALA 101 N 0.63 -0.56 -2.52 4.61 0.00 -1.26 -4.57 120.51 116.84 1a0l n ALA 101 Ca 0.00 0.16 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 1a0l n ALA 101 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.14 1a0l n ALA 101 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1a0l n ASP 102 N -0.97 4.85 -3.72 0.00 2.03 -1.26 -4.50 116.55 112.98 1a0l n ASP 102 Ca -0.12 -2.93 -0.13 0.00 0.52 0.00 0.00 54.79 52.13 1a0l n ASP 102 Cb 0.60 -1.69 -0.08 0.00 -0.72 0.00 0.00 41.12 39.24 1a0l n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1a0l s ILE 103 N 3.43 0.06 0.15 5.18 2.07 -1.26 -3.78 121.20 127.05 1a0l s ILE 103 Ca 0.50 -0.50 -0.24 0.00 -1.41 0.00 0.00 60.65 59.00 1a0l s ILE 103 Cb 0.04 -0.82 0.07 0.00 0.13 0.00 0.00 42.46 41.89 1a0l s ILE 103 CO 0.04 -0.28 0.68 0.00 -1.91 0.00 0.00 174.94 173.47 1a0l s ALA 104 N -1.95 -1.59 0.08 1.50 0.00 0.39 -2.63 121.76 117.56 1a0l s ALA 104 Ca -0.09 0.47 0.08 0.00 0.00 0.00 0.00 51.96 52.42 1a0l s ALA 104 Cb -0.03 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 1a0l s ALA 104 CO 0.01 -0.80 -0.22 -0.51 0.00 0.00 0.00 175.76 174.24 1a0l s LEU 105 N -2.73 2.25 -0.20 0.00 1.43 0.25 -0.90 118.68 118.78 1a0l s LEU 105 Ca 0.03 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 1a0l s LEU 105 Cb -0.02 -0.98 0.05 0.00 0.03 0.00 0.00 46.19 45.27 1a0l s LEU 105 CO -0.09 0.12 -0.08 -0.76 0.23 0.00 0.00 176.35 175.77 1a0l s LEU 106 N -1.63 2.24 -0.16 1.79 1.43 0.10 -0.09 118.68 122.36 1a0l s LEU 106 Ca 0.08 -0.94 -0.26 0.00 -1.03 0.00 0.00 54.13 51.98 1a0l s LEU 106 Cb -0.10 -1.15 -0.01 0.00 0.03 0.00 0.00 46.19 44.96 1a0l s LEU 106 CO 0.03 -0.18 0.87 -0.70 0.23 0.00 0.00 176.35 176.61 1a0l s GLU 107 N 1.44 4.31 0.76 1.70 2.12 0.87 -0.17 118.70 129.74 1a0l s GLU 107 Ca -0.02 1.10 -0.11 0.00 0.36 0.00 0.00 54.97 56.29 1a0l s GLU 107 Cb -0.17 -3.57 0.05 0.00 0.26 0.00 0.00 34.13 30.70 1a0l s GLU 107 CO -0.07 -0.35 1.09 -0.51 -0.54 0.00 0.00 175.26 174.87 1a0l s LEU 108 N 2.21 2.76 -0.01 2.70 1.43 -0.34 0.64 118.68 128.07 1a0l s LEU 108 Ca 0.40 1.38 -0.22 0.00 -1.03 0.00 0.00 54.13 54.66 1a0l s LEU 108 Cb -0.17 -4.08 -0.20 0.00 0.03 0.00 0.00 46.19 41.78 1a0l s LEU 108 CO 0.13 -1.79 1.18 -0.08 0.23 0.00 0.00 176.35 176.02 1a0l h GLU 109 N -0.96 0.26 -5.50 1.70 4.81 -1.85 -3.36 114.58 109.68 1a0l h GLU 109 Ca -0.46 -0.20 -0.44 0.00 -0.13 0.00 0.00 59.36 58.13 1a0l h GLU 109 Cb 1.25 0.04 -0.20 0.00 0.63 0.00 0.00 28.75 30.47 1a0l h GLU 109 CO 0.59 0.84 -0.78 -1.21 -0.73 0.00 0.00 179.01 177.72 1a0l s GLU 110 N -3.70 0.94 0.65 1.92 2.02 -1.26 -4.95 118.70 114.31 1a0l s GLU 110 Ca -0.15 -1.09 -0.17 0.00 0.02 0.00 0.00 54.97 53.58 1a0l s GLU 110 Cb 0.03 -0.94 -0.01 0.00 0.10 0.00 0.00 34.13 33.31 1a0l s GLU 110 CO 0.75 0.20 1.21 -2.14 0.02 0.00 0.00 175.26 175.30 1a0l s PRO 111 N -2.10 2.65 0.27 0.39 0.02 -1.26 -4.79 135.00 130.18 1a0l s PRO 111 Ca 0.03 1.80 0.02 0.00 0.02 0.00 0.00 61.00 62.88 1a0l s PRO 111 Cb -0.08 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.51 1a0l s PRO 111 CO 0.03 -1.45 0.43 0.14 -0.33 0.00 0.00 177.00 175.82 1a0l s VAL 112 N -1.74 5.20 -0.55 3.83 -7.23 0.18 -4.97 120.40 115.11 1a0l s VAL 112 Ca 0.76 -0.68 -0.18 0.00 -1.81 0.00 0.00 61.98 60.07 1a0l s VAL 112 Cb -0.30 -3.84 0.10 0.00 0.56 0.00 0.00 36.38 32.90 1a0l s VAL 112 CO 0.38 -0.38 0.60 -0.75 -0.31 0.00 0.00 175.10 174.64 1a0l s LYS 113 N -3.97 3.04 0.40 4.82 2.20 -1.26 -4.89 119.74 120.07 1a0l s LYS 113 Ca 0.37 -1.32 -0.27 0.00 -0.36 0.00 0.00 55.97 54.39 1a0l s LYS 113 Cb -0.10 -4.22 -0.09 0.00 -1.51 0.00 0.00 37.83 31.91 1a0l s LYS 113 CO 0.32 -1.35 1.37 0.14 -0.36 0.00 0.00 175.35 175.46 1a0l s VAL 114 N 2.28 2.38 0.00 4.02 -7.23 -1.26 -4.93 120.40 115.67 1a0l s VAL 114 Ca 0.09 0.36 0.00 0.00 -1.81 0.00 0.00 61.98 60.62 1a0l s VAL 114 Cb -0.24 -3.22 0.00 0.00 0.56 0.00 0.00 36.38 33.48 1a0l s VAL 114 CO 0.07 0.07 0.00 -1.54 -0.31 0.00 0.00 175.10 173.38 1a0l n SER 115 N 0.24 0.00 0.14 4.85 3.41 -0.55 -4.99 113.62 116.72 1a0l n SER 115 Ca 0.03 -0.41 0.01 0.00 -0.26 0.00 0.00 58.87 58.24 1a0l n SER 115 Cb 0.42 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.51 1a0l n SER 115 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1a0l h SER 116 N 0.00 0.00 0.38 4.04 4.64 -2.01 -3.29 113.55 117.31 1a0l h SER 116 Ca 0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 1a0l h SER 116 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1a0l h SER 116 CO 0.00 0.57 -1.83 1.41 -0.87 0.00 0.00 176.83 176.10 1a0l n HIS 117 N -3.47 0.67 -3.69 4.77 8.25 -1.26 -4.80 115.22 115.69 1a0l n HIS 117 Ca 0.00 0.24 -0.30 0.00 -0.26 0.00 0.00 57.72 57.40 1a0l n HIS 117 Cb 0.67 -1.07 -0.15 0.00 1.12 0.00 0.00 29.99 30.55 1a0l n HIS 117 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1a0l s VAL 118 N -2.70 0.75 0.02 1.59 0.11 -1.24 -4.19 120.40 114.74 1a0l s VAL 118 Ca -0.06 -1.41 -0.18 0.00 -2.93 0.00 0.00 61.98 57.40 1a0l s VAL 118 Cb 0.08 -1.57 0.03 0.00 -1.53 0.00 0.00 36.38 33.39 1a0l s VAL 118 CO 0.83 -0.71 0.39 -1.38 -3.33 0.00 0.00 175.10 170.90 1a0l s HIS 119 N 1.57 -0.26 0.63 1.54 -0.00 -1.17 -1.49 115.29 116.11 1a0l s HIS 119 Ca 0.11 0.29 -0.17 0.00 -0.00 0.00 0.00 55.06 55.28 1a0l s HIS 119 Cb -0.18 0.18 -0.05 0.00 -0.00 0.00 0.00 32.58 32.54 1a0l s HIS 119 CO -0.24 -0.51 0.78 0.25 -0.00 0.00 0.00 174.74 175.03 1a0l n THR 120 N 0.80 2.99 -3.87 -5.38 -2.24 -1.26 -2.56 114.28 102.76 1a0l n THR 120 Ca -0.20 -0.47 -0.33 0.00 -2.27 0.00 0.00 64.05 60.78 1a0l n THR 120 Cb 0.58 -0.96 -0.05 0.00 -2.10 0.00 0.00 70.33 67.81 1a0l n THR 120 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1a0l s VAL 121 N -1.67 5.39 -0.17 2.28 0.11 -0.38 -4.84 120.40 121.13 1a0l s VAL 121 Ca 0.73 -0.13 -0.29 0.00 -2.93 0.00 0.00 61.98 59.36 1a0l s VAL 121 Cb -0.40 -3.56 -0.00 0.00 -1.53 0.00 0.00 36.38 30.88 1a0l s VAL 121 CO 0.50 0.29 1.00 -0.89 -3.33 0.00 0.00 175.10 172.68 1a0l s THR 122 N -1.36 4.75 0.24 5.04 2.01 -1.24 -4.66 115.64 120.42 1a0l s THR 122 Ca 0.29 1.99 -0.30 0.00 0.31 0.00 0.00 61.69 63.99 1a0l s THR 122 Cb -0.13 -4.29 -0.09 0.00 0.01 0.00 0.00 72.50 68.00 1a0l s THR 122 CO 0.20 -0.07 1.12 -0.76 -0.69 0.00 0.00 174.62 174.42 1a0l s LEU 123 N 2.55 4.52 0.78 4.42 1.43 -1.26 -1.58 118.68 129.54 1a0l s LEU 123 Ca 0.45 2.24 -0.11 0.00 -1.03 0.00 0.00 54.13 55.68 1a0l s LEU 123 Cb -0.17 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.50 1a0l s LEU 123 CO 0.12 -0.21 1.10 -2.16 0.23 0.00 0.00 176.35 175.44 1a0l s PRO 124 N -1.01 2.14 0.61 1.29 0.04 -1.26 -4.88 135.00 131.93 1a0l s PRO 124 Ca 0.47 1.26 -0.15 0.00 0.04 0.00 0.00 61.00 62.63 1a0l s PRO 124 Cb -0.32 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1a0l s PRO 124 CO 0.39 -1.74 1.05 -2.14 0.04 0.00 0.00 177.00 174.60 1a0l s PRO 125 N -4.75 3.25 0.52 0.56 0.02 -1.26 -4.88 135.00 128.47 1a0l s PRO 125 Ca 0.63 1.14 0.33 0.00 0.02 0.00 0.00 61.00 63.11 1a0l s PRO 125 Cb -0.19 -2.03 1.78 0.00 0.02 0.00 0.00 34.50 34.09 1a0l s PRO 125 CO 0.54 -0.86 2.00 0.00 -0.33 0.00 0.00 177.00 178.35 1a0l h ALA 126 N 0.18 1.06 -0.02 -1.55 0.00 -1.95 -2.53 119.26 114.45 1a0l h ALA 126 Ca -0.46 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.25 1a0l h ALA 126 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1a0l h ALA 126 CO 0.57 -0.06 -0.84 0.77 0.00 0.00 0.00 179.25 179.70 1a0l h SER 127 N 0.00 0.40 -4.15 0.00 0.02 -1.96 -3.48 113.55 104.39 1a0l h SER 127 Ca 0.00 -0.30 -0.54 0.00 -0.84 0.00 0.00 61.79 60.11 1a0l h SER 127 Cb 0.13 -0.12 0.18 0.00 0.14 0.00 0.00 62.40 62.73 1a0l h SER 127 CO 0.00 1.07 0.31 -0.62 -1.14 0.00 0.00 176.83 176.45 1a0l n GLU 128 N -3.75 0.23 0.00 3.45 -0.58 -0.95 -4.98 120.64 114.05 1a0l n GLU 128 Ca -0.05 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1a0l n GLU 128 Cb 0.77 -2.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.23 1a0l n GLU 128 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1a0l n THR 129 N -3.20 0.00 -3.07 2.62 -2.24 -1.26 -4.95 114.28 102.18 1a0l n THR 129 Ca 0.14 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.87 1a0l n THR 129 Cb 0.50 -0.49 0.02 0.00 -2.10 0.00 0.00 70.33 68.27 1a0l n THR 129 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1a0l n PHE 130 N -1.25 -2.77 -0.76 4.78 3.72 -1.26 -4.98 117.46 114.94 1a0l n PHE 130 Ca 0.00 1.03 -0.30 0.00 -0.05 0.00 0.00 57.45 58.14 1a0l n PHE 130 Cb 0.25 -4.06 0.19 0.00 -0.94 0.00 0.00 39.48 34.92 1a0l n PHE 130 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1a0l s PRO 131 N -3.39 0.32 0.21 -1.08 0.04 -1.26 -4.85 135.00 124.99 1a0l s PRO 131 Ca 0.13 1.10 -0.32 0.00 0.04 0.00 0.00 61.00 61.95 1a0l s PRO 131 Cb -0.02 -1.68 -0.12 0.00 0.04 0.00 0.00 34.50 32.72 1a0l s PRO 131 CO 0.73 -2.96 1.71 -0.35 0.04 0.00 0.00 177.00 176.17 1a0l n PRO 132 N -4.42 2.73 0.00 0.56 -0.04 -1.26 -2.29 135.00 130.29 1a0l n PRO 132 Ca 0.07 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.52 1a0l n PRO 132 Cb 0.54 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 1a0l n PRO 132 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a0l n GLY 133 N 3.92 1.09 3.73 0.55 0.00 -1.26 -4.99 105.19 108.23 1a0l n GLY 133 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1a0l n GLY 133 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1a0l s MET 134 N -0.15 4.51 -0.78 1.61 -1.94 -0.97 -4.95 119.30 116.63 1a0l s MET 134 Ca 0.00 1.79 -0.26 0.00 -1.71 0.00 0.00 55.69 55.51 1a0l s MET 134 Cb 0.00 -3.29 0.01 0.00 2.01 0.00 0.00 34.83 33.56 1a0l s MET 134 CO 0.00 -0.08 1.59 -1.25 -0.01 0.00 0.00 175.02 175.27 1a0l s PRO 135 N 0.12 3.00 0.22 2.03 0.04 -1.26 -4.30 135.00 134.84 1a0l s PRO 135 Ca 0.53 -0.17 0.11 0.00 0.04 0.00 0.00 61.00 61.51 1a0l s PRO 135 Cb -0.30 -4.61 -0.04 0.00 0.04 0.00 0.00 34.50 29.58 1a0l s PRO 135 CO 0.34 -2.53 -0.17 0.00 0.04 0.00 0.00 177.00 174.67 1a0l s TRP 137 N -1.94 0.62 0.06 0.00 0.52 0.16 -0.37 118.94 117.99 1a0l s TRP 137 Ca 0.25 -0.40 0.09 0.00 0.02 0.00 0.00 56.10 56.06 1a0l s TRP 137 Cb -0.07 -0.38 -0.03 0.00 -1.15 0.00 0.00 33.47 31.84 1a0l s TRP 137 CO 0.13 -0.06 -0.25 0.08 0.02 0.00 0.00 176.95 176.87 1a0l s VAL 138 N -1.06 2.01 0.00 4.03 1.01 -0.38 -1.37 120.40 124.64 1a0l s VAL 138 Ca -0.07 -1.41 -0.02 0.00 0.00 0.00 0.00 61.98 60.49 1a0l s VAL 138 Cb -0.08 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 1a0l s VAL 138 CO 0.00 0.25 0.03 0.42 0.00 0.00 0.00 175.10 175.80 1a0l s THR 139 N -0.86 0.07 0.00 3.92 -4.23 -1.22 -1.43 115.64 111.89 1a0l s THR 139 Ca 0.11 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 60.07 1a0l s THR 139 Cb -0.10 -0.22 0.00 0.00 1.34 0.00 0.00 72.50 73.52 1a0l s THR 139 CO 0.03 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1a0l n GLY 140 N 2.10 -0.44 1.86 3.99 0.00 -0.55 -4.43 105.19 107.71 1a0l n GLY 140 Ca -0.20 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.67 1a0l n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1a0l n TRP 141 N -0.04 2.40 -1.94 1.61 8.01 -1.26 -2.02 117.44 124.21 1a0l n TRP 141 Ca 0.00 -2.26 0.00 0.00 -1.31 0.00 0.00 57.50 53.93 1a0l n TRP 141 Cb 0.00 -0.67 0.00 0.00 -2.01 0.00 0.00 31.31 28.63 1a0l n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1a0l n GLY 142 N -0.88 1.03 3.74 6.99 0.00 -1.26 -4.81 105.19 109.99 1a0l n GLY 142 Ca 0.46 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.15 1a0l n GLY 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a0l s ASP 143 N -1.00 4.82 0.00 1.61 1.11 -0.02 -3.32 116.67 119.87 1a0l s ASP 143 Ca 0.00 2.68 0.23 0.00 0.18 0.00 0.00 52.55 55.64 1a0l s ASP 143 Cb 0.00 -2.62 0.13 0.00 1.07 0.00 0.00 42.92 41.49 1a0l s ASP 143 CO 0.00 -1.86 1.20 1.33 1.18 0.00 0.00 175.17 177.02 1a0l n VAL 144 N -1.61 0.00 -3.64 -1.27 0.24 -0.89 0.11 118.33 111.27 1a0l n VAL 144 Ca 0.14 -0.43 -0.03 0.00 -2.04 0.00 0.00 64.34 61.98 1a0l n VAL 144 Cb 0.47 1.43 -0.01 0.00 -1.47 0.00 0.00 33.84 34.25 1a0l n VAL 144 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1a0l s ASP 145 N -2.13 -0.16 0.24 -1.34 -1.08 -1.24 -4.17 116.67 106.80 1a0l s ASP 145 Ca 0.25 -0.18 -0.30 0.00 -0.52 0.00 0.00 52.55 51.80 1a0l s ASP 145 Cb 0.19 0.30 -0.11 0.00 -1.46 0.00 0.00 42.92 41.85 1a0l s ASP 145 CO 0.38 -0.53 1.53 0.20 0.52 0.00 0.00 175.17 177.27 1a0l s ASN 146 N -2.75 6.54 -1.03 -0.34 0.01 -1.26 -2.14 114.94 113.97 1a0l s ASN 146 Ca 0.11 2.75 0.00 0.00 -0.71 0.00 0.00 52.86 55.01 1a0l s ASN 146 Cb 0.01 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1a0l s ASN 146 CO -0.03 -0.80 0.00 0.47 -1.51 0.00 0.00 177.10 175.23 1a0l n ASP 147 N 2.73 -5.34 -4.01 -1.22 8.00 -1.26 -4.91 116.55 110.54 1a0l n ASP 147 Ca 0.09 0.24 -0.32 0.00 0.71 0.00 0.00 54.79 55.51 1a0l n ASP 147 Cb 0.39 -3.92 -0.13 0.00 -0.02 0.00 0.00 41.12 37.44 1a0l n ASP 147 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1a0l s GLU 149 N -2.75 1.95 0.79 -1.24 0.41 -0.91 -5.10 118.70 111.86 1a0l s GLU 149 Ca 0.00 -2.33 -0.11 0.00 -0.41 0.00 0.00 54.97 52.11 1a0l s GLU 149 Cb 0.00 -3.39 0.07 0.00 -1.78 0.00 0.00 34.13 29.03 1a0l s GLU 149 CO 0.00 -1.07 1.12 -0.98 -0.49 0.00 0.00 175.26 173.84 1a0l s ARG 150 N 0.20 1.99 0.00 1.61 1.04 -1.26 -2.08 118.95 120.45 1a0l s ARG 150 Ca 0.15 1.35 0.00 0.00 -1.04 0.00 0.00 55.73 56.18 1a0l s ARG 150 Cb -0.23 -1.85 0.00 0.00 -2.04 0.00 0.00 34.95 30.83 1a0l s ARG 150 CO -0.03 -1.87 0.00 -0.11 -0.04 0.00 0.00 175.30 173.25 1a0l n LEU 151 N -3.50 0.00 -0.90 -1.89 7.94 -1.26 -4.67 117.00 112.72 1a0l n LEU 151 Ca 0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 1a0l n LEU 151 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 1a0l n LEU 151 CO 0.51 -0.49 0.00 -0.81 -1.11 0.00 0.00 177.39 175.49 1a0l n PRO 152 N -0.23 0.00 -3.31 1.96 -0.04 -1.26 -5.01 135.00 127.11 1a0l n PRO 152 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 1a0l n PRO 152 Cb 0.00 -0.49 0.08 0.00 -0.04 0.00 0.00 33.50 33.04 1a0l n PRO 152 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1a0l n PHE 153 N 0.20 -2.38 -1.71 0.54 3.72 -1.26 -3.88 117.46 112.69 1a0l n PHE 153 Ca 0.00 0.88 -0.33 0.00 -0.05 0.00 0.00 57.45 57.95 1a0l n PHE 153 Cb 0.00 -4.41 0.05 0.00 -0.94 0.00 0.00 39.48 34.18 1a0l n PHE 153 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1a0l s PRO 154 N -4.68 2.76 0.09 -1.08 0.04 -1.26 -2.08 135.00 128.79 1a0l s PRO 154 Ca 0.32 1.35 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 1a0l s PRO 154 Cb -0.04 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 1a0l s PRO 154 CO 0.74 -1.27 1.09 -1.17 0.04 0.00 0.00 177.00 176.43 1a0l s LEU 155 N -4.98 4.42 0.25 -3.56 2.96 -0.61 -4.80 118.68 112.36 1a0l s LEU 155 Ca 0.66 1.93 0.09 0.00 -0.22 0.00 0.00 54.13 56.59 1a0l s LEU 155 Cb -0.20 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 1a0l s LEU 155 CO 0.43 -0.30 0.04 -0.54 -1.32 0.00 0.00 176.35 174.67 1a0l s LYS 156 N 0.48 2.46 -0.03 1.98 1.02 -0.86 -0.44 119.74 124.36 1a0l s LYS 156 Ca 0.53 -1.28 -0.03 0.00 0.02 0.00 0.00 55.97 55.20 1a0l s LYS 156 Cb -0.27 -2.29 0.01 0.00 -0.52 0.00 0.00 37.83 34.76 1a0l s LYS 156 CO 0.31 0.39 0.09 1.14 -0.92 0.00 0.00 175.35 176.35 1a0l s GLN 157 N -3.59 0.16 -0.02 1.68 -2.07 0.16 -1.49 119.66 114.50 1a0l s GLN 157 Ca 0.31 0.02 -0.03 0.00 -1.82 0.00 0.00 55.36 53.85 1a0l s GLN 157 Cb -0.07 0.07 0.00 0.00 -1.09 0.00 0.00 33.01 31.92 1a0l s GLN 157 CO 0.21 -0.03 0.07 0.54 -1.32 0.00 0.00 175.29 174.76 1a0l s VAL 158 N -0.20 0.02 -0.20 3.63 0.11 -0.51 -1.41 120.40 121.84 1a0l s VAL 158 Ca -0.03 -0.20 -0.18 0.00 -2.93 0.00 0.00 61.98 58.65 1a0l s VAL 158 Cb -0.02 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.63 1a0l s VAL 158 CO 0.00 -0.11 0.50 -0.75 -3.33 0.00 0.00 175.10 171.42 1a0l s LYS 159 N -0.32 4.18 0.06 1.54 2.20 -1.26 -1.25 119.74 124.90 1a0l s LYS 159 Ca -0.04 0.38 0.09 0.00 -0.36 0.00 0.00 55.97 56.04 1a0l s LYS 159 Cb -0.03 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.70 1a0l s LYS 159 CO 0.00 -0.15 -0.24 0.14 -0.36 0.00 0.00 175.35 174.75 1a0l s VAL 160 N 1.64 1.92 0.01 4.02 -7.23 0.50 -4.96 120.40 116.30 1a0l s VAL 160 Ca 0.23 -1.37 -0.27 0.00 -1.81 0.00 0.00 61.98 58.77 1a0l s VAL 160 Cb -0.15 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 1a0l s VAL 160 CO 0.09 0.23 0.83 -2.16 -0.31 0.00 0.00 175.10 173.78 1a0l s PRO 161 N -1.37 4.52 0.42 4.82 0.04 -1.26 -3.45 135.00 138.71 1a0l s PRO 161 Ca 0.10 1.16 -0.24 0.00 0.04 0.00 0.00 61.00 62.05 1a0l s PRO 161 Cb -0.10 -3.42 -0.08 0.00 0.04 0.00 0.00 34.50 30.95 1a0l s PRO 161 CO 0.03 0.12 1.15 0.42 0.04 0.00 0.00 177.00 178.75 1a0l s ILE 162 N 0.50 3.23 -0.03 0.56 -1.09 -1.26 -2.35 121.20 120.76 1a0l s ILE 162 Ca 0.43 0.99 0.05 0.00 -2.23 0.00 0.00 60.65 59.89 1a0l s ILE 162 Cb -0.20 -3.53 -0.01 0.00 -1.58 0.00 0.00 42.46 37.14 1a0l s ILE 162 CO 0.24 0.05 -0.18 -0.32 -1.23 0.00 0.00 174.94 173.50 1a0l s MET 163 N -2.43 1.60 0.21 2.79 -2.45 0.10 -4.14 119.30 114.99 1a0l s MET 163 Ca 0.59 -0.62 -0.30 0.00 -1.25 0.00 0.00 55.69 54.10 1a0l s MET 163 Cb -0.29 -1.47 -0.10 0.00 1.25 0.00 0.00 34.83 34.23 1a0l s MET 163 CO 0.36 0.32 1.45 -2.00 1.05 0.00 0.00 175.02 176.20 1a0l s GLU 164 N -0.21 4.27 0.21 4.11 2.12 -1.26 -3.97 118.70 123.98 1a0l s GLU 164 Ca 0.02 2.28 -0.17 0.00 0.36 0.00 0.00 54.97 57.46 1a0l s GLU 164 Cb -0.09 -3.14 0.21 0.00 0.26 0.00 0.00 34.13 31.38 1a0l s GLU 164 CO 0.01 -0.45 1.59 -0.91 -0.54 0.00 0.00 175.26 174.95 1a0l h ASN 165 N 5.60 -1.03 0.06 -1.70 4.21 -1.94 0.12 115.58 120.89 1a0l h ASN 165 Ca -0.45 0.24 -0.01 0.00 1.21 0.00 0.00 56.30 57.29 1a0l h ASN 165 Cb 1.21 0.57 -0.00 0.00 -1.12 0.00 0.00 38.32 38.98 1a0l h ASN 165 CO 0.81 -0.28 -0.05 0.45 -1.29 0.00 0.00 177.43 177.07 1a0l h HIS 166 N -0.08 0.00 0.13 1.19 3.86 -1.94 0.44 115.15 118.75 1a0l h HIS 166 Ca 0.30 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.26 1a0l h HIS 166 Cb 0.56 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.06 1a0l h HIS 166 CO -0.66 0.05 -1.07 0.82 0.86 0.00 0.00 177.93 177.93 1a0l h ILE 167 N 0.00 1.37 -0.72 2.45 1.08 -1.37 -3.00 117.51 117.32 1a0l h ILE 167 Ca -0.00 -2.47 -0.05 0.00 -0.39 0.00 0.00 64.86 61.96 1a0l h ILE 167 Cb 0.09 2.89 -0.03 0.00 -3.07 0.00 0.00 36.82 36.70 1a0l h ILE 167 CO 0.01 0.73 0.27 0.00 -0.69 0.00 0.00 178.15 178.46 1a0l h ASP 169 N 1.05 0.83 0.45 0.00 3.58 -0.27 -1.37 116.42 120.68 1a0l h ASP 169 Ca 0.24 -0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.40 1a0l h ASP 169 Cb 0.23 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.06 1a0l h ASP 169 CO -0.02 0.98 -0.21 0.00 -2.88 0.00 0.00 179.24 177.11 1a0l h ALA 170 N 1.09 -0.60 -0.63 -0.78 0.00 -1.33 -2.62 119.26 114.40 1a0l h ALA 170 Ca 0.11 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.00 1a0l h ALA 170 Cb 0.66 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.58 1a0l h ALA 170 CO 0.05 -0.79 0.07 0.87 0.00 0.00 0.00 179.25 179.45 1a0l h LYS 171 N -0.70 0.18 0.00 0.00 1.57 -1.17 0.45 116.57 116.90 1a0l h LYS 171 Ca -0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1a0l h LYS 171 Cb 0.51 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1a0l h LYS 171 CO 0.10 0.12 0.01 1.88 -0.57 0.00 0.00 179.45 180.99 1a0l h TYR 172 N 0.19 0.00 0.00 -1.35 -1.99 -0.98 -0.07 116.97 112.77 1a0l h TYR 172 Ca 0.33 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.93 1a0l h TYR 172 Cb 0.53 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.24 1a0l h TYR 172 CO -0.31 0.00 -1.33 0.72 -0.00 0.00 0.00 178.16 177.25 1a0l n HIS 173 N -2.48 0.99 -1.66 4.88 8.25 0.15 -4.67 115.22 120.68 1a0l n HIS 173 Ca -0.02 0.32 -0.43 0.00 -0.26 0.00 0.00 57.72 57.33 1a0l n HIS 173 Cb 0.05 -1.06 -0.03 0.00 1.12 0.00 0.00 29.99 30.07 1a0l n HIS 173 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1a0l n LEU 173 N -2.84 4.10 0.00 2.41 4.77 -0.04 -1.21 117.00 124.19 1a0l n LEU 173 Ca -0.08 0.91 0.00 0.00 -0.03 0.00 0.00 56.01 56.81 1a0l n LEU 173 Cb 0.78 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 1a0l n LEU 173 CO 0.42 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1a0l n GLY 173 N 4.54 0.55 3.61 -0.72 0.00 -1.26 -5.04 105.19 106.88 1a0l n GLY 173 Ca 0.20 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1a0l n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a0l s ALA 173 N -2.00 3.15 -0.12 4.61 0.00 -0.35 -5.05 121.76 122.01 1a0l s ALA 173 Ca 0.00 -2.01 0.16 0.00 0.00 0.00 0.00 51.96 50.12 1a0l s ALA 173 Cb 0.00 -0.28 -0.12 0.00 0.00 0.00 0.00 23.12 22.72 1a0l s ALA 173 CO 0.00 0.06 0.88 1.88 0.00 0.00 0.00 175.76 178.58 1a0l h TYR 173 N 1.85 0.00 -1.77 0.00 0.05 -1.96 -3.48 116.97 111.66 1a0l h TYR 173 Ca -0.43 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 57.69 1a0l h TYR 173 Cb 1.25 0.00 0.05 0.00 1.01 0.00 0.00 36.73 39.04 1a0l h TYR 173 CO 0.72 0.60 0.56 2.41 -1.05 0.00 0.00 178.16 181.40 1a0l n THR 173 N -2.94 0.04 0.00 -2.88 -1.04 -1.26 -5.17 114.28 101.03 1a0l n THR 173 Ca -0.09 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1a0l n THR 173 Cb 0.84 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 1a0l n THR 173 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a0l n GLY 173 N 2.85 -3.57 2.42 3.41 0.00 -1.26 -4.92 105.19 104.12 1a0l n GLY 173 Ca 0.19 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1a0l n GLY 173 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a0l n ASP 173 N 0.00 0.00 -4.72 1.61 5.75 -1.26 -4.70 116.55 113.23 1a0l n ASP 173 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.36 1a0l n ASP 173 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 1a0l n ASP 173 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1a0l s VAL 173 N 0.00 3.79 -0.21 2.12 1.01 -1.26 -5.00 120.40 120.84 1a0l s VAL 173 Ca 0.00 1.37 -0.17 0.00 0.00 0.00 0.00 61.98 63.18 1a0l s VAL 173 Cb 0.00 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1a0l s VAL 173 CO 0.00 0.15 0.46 -0.13 0.00 0.00 0.00 175.10 175.58 1a0l s ARG 174 N 0.54 4.15 -0.22 2.72 1.81 -1.26 -4.93 118.95 121.76 1a0l s ARG 174 Ca 0.57 0.28 -0.13 0.00 -1.72 0.00 0.00 55.73 54.73 1a0l s ARG 174 Cb -0.31 -3.57 -0.18 0.00 -0.45 0.00 0.00 34.95 30.43 1a0l s ARG 174 CO 0.32 -0.14 0.02 -0.89 -0.68 0.00 0.00 175.30 173.92 1a0l n ILE 175 N 4.60 1.58 -3.04 1.52 5.41 -1.26 -4.74 119.36 123.43 1a0l n ILE 175 Ca -0.06 -0.34 -0.44 0.00 1.00 0.00 0.00 62.75 62.90 1a0l n ILE 175 Cb 0.51 -1.84 -0.05 0.00 -0.71 0.00 0.00 39.64 37.55 1a0l n ILE 175 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1a0l s VAL 176 N -2.47 4.68 1.16 1.39 1.01 -1.26 -5.00 120.40 119.91 1a0l s VAL 176 Ca -0.31 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 60.91 1a0l s VAL 176 Cb 0.09 -4.49 0.27 0.00 0.00 0.00 0.00 36.38 32.25 1a0l s VAL 176 CO 0.60 -1.11 1.09 -0.13 0.00 0.00 0.00 175.10 175.55 1a0l s ARG 177 N 3.11 -0.89 0.20 2.72 3.00 -1.26 -4.90 118.95 120.92 1a0l s ARG 177 Ca 0.17 0.13 0.26 0.00 0.00 0.00 0.00 55.73 56.29 1a0l s ARG 177 Cb -0.20 -1.62 0.86 0.00 0.00 0.00 0.00 34.95 33.99 1a0l s ARG 177 CO 0.10 -3.53 1.78 -0.25 0.00 0.00 0.00 175.30 173.39 1a0l n ASP 178 N -4.67 0.74 -2.01 0.23 8.00 -1.26 -3.03 116.55 114.56 1a0l n ASP 178 Ca 0.10 0.58 -0.04 0.00 0.71 0.00 0.00 54.79 56.14 1a0l n ASP 178 Cb 0.59 -0.78 0.32 0.00 -0.02 0.00 0.00 41.12 41.23 1a0l n ASP 178 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1a0l n ASP 179 N -2.21 5.01 -4.36 -2.24 5.75 -1.26 -4.91 116.55 112.32 1a0l n ASP 179 Ca 0.05 -3.19 -0.19 0.00 -0.01 0.00 0.00 54.79 51.46 1a0l n ASP 179 Cb 0.40 -0.74 -0.10 0.00 -1.03 0.00 0.00 41.12 39.65 1a0l n ASP 179 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1a0l s MET 180 N -2.97 1.38 0.01 0.11 -1.94 -1.17 -0.97 119.30 113.75 1a0l s MET 180 Ca 0.56 -1.64 0.00 0.00 -1.71 0.00 0.00 55.69 52.90 1a0l s MET 180 Cb 0.44 -1.08 -0.01 0.00 2.01 0.00 0.00 34.83 36.19 1a0l s MET 180 CO 0.14 0.13 -0.02 -1.17 -0.01 0.00 0.00 175.02 174.09 1a0l s LEU 181 N -3.34 2.13 0.01 -0.03 0.20 0.25 -4.57 118.68 113.33 1a0l s LEU 181 Ca 0.24 -0.28 0.05 0.00 0.69 0.00 0.00 54.13 54.84 1a0l s LEU 181 Cb 0.01 0.02 -0.03 0.00 -0.43 0.00 0.00 46.19 45.76 1a0l s LEU 181 CO 0.08 -0.15 -0.13 0.00 -0.29 0.00 0.00 176.35 175.86 1a0l s ALA 183 N -0.92 -1.96 0.00 0.00 0.00 -0.78 0.01 121.76 118.12 1a0l s ALA 183 Ca 0.15 2.04 0.00 0.00 0.00 0.00 0.00 51.96 54.15 1a0l s ALA 183 Cb -0.11 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.60 1a0l s ALA 183 CO 0.05 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1a0l n GLY 184 N 2.83 0.89 0.21 0.00 0.00 -0.99 -2.79 105.19 105.32 1a0l n GLY 184 Ca -0.15 -2.07 -0.00 0.00 0.00 0.00 0.00 46.02 43.80 1a0l n GLY 184 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a0l n ASN 185 N 1.93 -0.10 0.00 1.61 0.23 0.19 -4.70 115.26 114.41 1a0l n ASN 185 Ca 0.00 -1.06 0.02 0.00 -0.53 0.00 0.00 54.58 53.01 1a0l n ASN 185 Cb 0.00 0.16 0.09 0.00 -2.08 0.00 0.00 39.78 37.96 1a0l n ASN 185 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1a0l n THR 186 N -0.04 0.00 -0.31 5.53 -2.24 -1.26 -3.17 114.28 112.79 1a0l n THR 186 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1a0l n THR 186 Cb 0.03 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 1a0l n THR 186 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1a0l n ARG 187 N -0.64 0.00 -3.82 -0.78 1.85 -1.26 -4.85 116.66 107.16 1a0l n ARG 187 Ca 0.02 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.71 1a0l n ARG 187 Cb 0.01 -0.02 -0.16 0.00 -1.05 0.00 0.00 32.46 31.24 1a0l n ARG 187 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1a0l s ARG 188 N 0.00 0.11 -0.09 2.89 0.52 -1.19 -3.82 118.95 117.38 1a0l s ARG 188 Ca 0.00 0.17 -0.33 0.00 -0.52 0.00 0.00 55.73 55.05 1a0l s ARG 188 Cb 0.00 -0.40 0.14 0.00 0.52 0.00 0.00 34.95 35.20 1a0l s ARG 188 CO 0.00 -0.18 1.36 0.34 0.02 0.00 0.00 175.30 176.84 1a0l s ASP 189 N 1.23 -0.04 0.77 0.23 2.15 -1.11 -0.64 116.67 119.27 1a0l s ASP 189 Ca -0.07 -0.06 -0.02 0.00 0.43 0.00 0.00 52.55 52.83 1a0l s ASP 189 Cb -0.13 0.08 0.15 0.00 -0.30 0.00 0.00 42.92 42.72 1a0l s ASP 189 CO -0.03 -0.14 1.06 -0.94 -0.17 0.00 0.00 175.17 174.95 1a0l s SER 190 N -2.83 4.05 0.23 -0.34 1.04 -1.26 -1.40 113.70 113.19 1a0l s SER 190 Ca 0.14 -0.42 -0.05 0.00 0.48 0.00 0.00 55.95 56.09 1a0l s SER 190 Cb 0.05 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.37 1a0l s SER 190 CO -0.05 -2.08 0.39 0.00 0.98 0.00 0.00 173.24 172.48 1a0l n GLN 192 N -0.34 1.09 0.00 0.00 -0.06 -1.26 -0.62 117.38 116.20 1a0l n GLN 192 Ca -0.03 0.39 0.00 0.00 -2.00 0.00 0.00 57.00 55.37 1a0l n GLN 192 Cb 0.36 -1.97 0.00 0.00 -4.06 0.00 0.00 30.24 24.57 1a0l n GLN 192 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1a0l n GLY 193 N 2.28 3.32 0.09 1.69 0.00 -1.26 -0.84 105.19 110.46 1a0l n GLY 193 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1a0l n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a0l h ASP 194 N 0.00 0.00 -1.06 1.61 3.32 -1.19 -3.33 116.42 115.76 1a0l h ASP 194 Ca 0.00 -0.12 -0.70 0.00 0.02 0.00 0.00 57.03 56.23 1a0l h ASP 194 Cb 0.00 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.65 1a0l h ASP 194 CO 0.00 0.06 -0.35 -1.20 -1.72 0.00 0.00 179.24 176.03 1a0l n SER 195 N -2.24 -0.83 0.00 6.45 7.64 -1.26 -0.79 113.62 122.60 1a0l n SER 195 Ca 0.04 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1a0l n SER 195 Cb 0.45 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 1a0l n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a0l n GLY 196 N 1.86 2.45 3.48 0.23 0.00 -0.45 -0.74 105.19 112.01 1a0l n GLY 196 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1a0l n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a0l n GLY 197 N -2.00 -1.82 3.91 -0.02 0.00 0.03 -3.31 105.19 101.97 1a0l n GLY 197 Ca 0.00 -1.65 -0.28 0.00 0.00 0.00 0.00 46.02 44.09 1a0l n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a0l s PRO 198 N -5.58 3.35 -0.32 1.61 0.04 -1.26 -1.59 135.00 131.24 1a0l s PRO 198 Ca 0.69 -0.56 0.02 0.00 0.04 0.00 0.00 61.00 61.18 1a0l s PRO 198 Cb -0.03 -2.95 0.10 0.00 0.04 0.00 0.00 34.50 31.66 1a0l s PRO 198 CO 0.49 0.56 0.05 -1.17 0.04 0.00 0.00 177.00 176.97 1a0l s LEU 199 N -2.86 3.78 0.04 -3.56 2.96 -0.97 -3.38 118.68 114.69 1a0l s LEU 199 Ca 0.34 -1.90 0.02 0.00 -0.22 0.00 0.00 54.13 52.37 1a0l s LEU 199 Cb -0.12 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 1a0l s LEU 199 CO 0.27 -0.37 0.04 0.68 -1.32 0.00 0.00 176.35 175.66 1a0l s VAL 200 N 1.16 4.39 0.05 1.68 -7.23 -0.47 0.00 120.40 119.99 1a0l s VAL 200 Ca 0.09 -0.66 0.06 0.00 -1.81 0.00 0.00 61.98 59.65 1a0l s VAL 200 Cb -0.18 -3.04 -0.02 0.00 0.56 0.00 0.00 36.38 33.69 1a0l s VAL 200 CO -0.13 0.26 -0.16 0.00 -0.31 0.00 0.00 175.10 174.75 1a0l s LYS 202 N -1.27 3.68 -0.33 0.00 2.20 -0.99 -0.58 119.74 122.45 1a0l s LYS 202 Ca 0.03 -1.76 -0.18 0.00 -0.36 0.00 0.00 55.97 53.70 1a0l s LYS 202 Cb -0.08 -5.05 -0.01 0.00 -1.51 0.00 0.00 37.83 31.18 1a0l s LYS 202 CO 0.02 -1.88 0.52 0.08 -0.36 0.00 0.00 175.35 173.74 1a0l s VAL 203 N 3.04 5.02 -1.06 4.02 1.01 0.19 -4.47 120.40 128.14 1a0l s VAL 203 Ca 0.37 0.48 -0.20 0.00 0.00 0.00 0.00 61.98 62.63 1a0l s VAL 203 Cb -0.03 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.42 1a0l s VAL 203 CO -0.08 -0.16 0.69 -3.20 0.00 0.00 0.00 175.10 172.36 1a0l n ASN 204 N 5.73 -4.86 -1.59 3.32 5.15 -1.26 -0.73 115.26 121.01 1a0l n ASN 204 Ca -0.04 -1.07 -0.19 0.00 -0.60 0.00 0.00 54.58 52.68 1a0l n ASN 204 Cb 0.49 -2.31 -0.07 0.00 -0.53 0.00 0.00 39.78 37.36 1a0l n ASN 204 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1a0l n GLY 205 N -1.85 1.46 2.94 8.20 0.00 -1.26 -4.97 105.19 109.70 1a0l n GLY 205 Ca -0.16 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 1a0l n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a0l s THR 206 N -2.75 -0.02 -0.35 2.61 2.01 0.09 -5.12 115.64 112.11 1a0l s THR 206 Ca 0.00 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 61.77 1a0l s THR 206 Cb 0.00 -0.15 0.01 0.00 0.01 0.00 0.00 72.50 72.37 1a0l s THR 206 CO 0.00 0.03 1.26 0.26 -0.69 0.00 0.00 174.62 175.48 1a0l s TRP 207 N 0.41 2.73 -0.06 4.92 0.23 -1.26 0.53 118.94 126.43 1a0l s TRP 207 Ca -0.03 0.87 0.04 0.00 -2.03 0.00 0.00 56.10 54.95 1a0l s TRP 207 Cb -0.04 -4.02 -0.02 0.00 0.03 0.00 0.00 33.47 29.42 1a0l s TRP 207 CO -0.02 -1.54 -0.19 -0.51 0.96 0.00 0.00 176.95 175.65 1a0l s LEU 208 N 4.45 2.44 -0.57 2.99 1.43 0.25 -3.71 118.68 125.95 1a0l s LEU 208 Ca 0.54 -0.35 -0.28 0.00 -1.03 0.00 0.00 54.13 53.01 1a0l s LEU 208 Cb -0.14 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.63 1a0l s LEU 208 CO 0.25 0.28 1.19 -1.58 0.23 0.00 0.00 176.35 176.72 1a0l s GLN 209 N -0.36 3.53 -0.00 1.70 0.74 -0.61 -0.39 119.66 124.26 1a0l s GLN 209 Ca 0.03 0.28 -0.21 0.00 0.05 0.00 0.00 55.36 55.51 1a0l s GLN 209 Cb -0.12 -4.01 -0.23 0.00 1.10 0.00 0.00 33.01 29.75 1a0l s GLN 209 CO 0.02 -1.67 1.10 0.00 -0.55 0.00 0.00 175.29 174.20 1a0l h ALA 210 N 9.55 0.08 -3.31 1.58 0.00 -0.76 -3.36 119.26 123.04 1a0l h ALA 210 Ca -0.25 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 53.98 1a0l h ALA 210 Cb 1.06 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1a0l h ALA 210 CO 1.18 0.29 -0.06 0.41 0.00 0.00 0.00 179.25 181.07 1a0l n GLY 211 N 1.00 2.44 3.10 0.00 0.00 -0.93 -2.07 105.19 108.74 1a0l n GLY 211 Ca -0.10 -1.48 -0.28 0.00 0.00 0.00 0.00 46.02 44.17 1a0l n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a0l s VAL 212 N -2.63 1.51 -0.24 1.61 1.01 -0.98 -2.29 120.40 118.39 1a0l s VAL 212 Ca 0.16 -0.70 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 1a0l s VAL 212 Cb -0.01 -1.34 -0.08 0.00 0.00 0.00 0.00 36.38 34.95 1a0l s VAL 212 CO 0.11 0.44 2.17 0.52 0.00 0.00 0.00 175.10 178.34 1a0l n VAL 213 N 3.69 0.33 -0.01 2.92 0.31 -0.62 -0.53 118.33 124.41 1a0l n VAL 213 Ca -0.21 -0.35 -0.02 0.00 -0.01 0.00 0.00 64.34 63.75 1a0l n VAL 213 Cb 0.52 -2.19 -0.01 0.00 -0.91 0.00 0.00 33.84 31.26 1a0l n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1a0l n SER 214 N 10.47 0.46 -3.22 4.52 2.88 -0.83 -1.35 113.62 126.56 1a0l n SER 214 Ca 0.33 0.07 -0.12 0.00 -1.33 0.00 0.00 58.87 57.82 1a0l n SER 214 Cb 0.36 -0.39 -0.02 0.00 -0.75 0.00 0.00 64.21 63.41 1a0l n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1a0l s TRP 215 N -1.45 0.58 0.00 0.66 1.48 -0.73 -4.92 118.94 114.56 1a0l s TRP 215 Ca -0.05 -1.01 0.00 0.00 -1.06 0.00 0.00 56.10 53.98 1a0l s TRP 215 Cb 0.01 0.33 0.00 0.00 -1.16 0.00 0.00 33.47 32.65 1a0l s TRP 215 CO 0.08 -1.30 0.00 0.41 -4.06 0.00 0.00 176.95 172.08 1a0l n GLY 216 N -0.53 0.65 2.79 3.67 0.00 -1.26 -0.09 105.19 110.41 1a0l n GLY 216 Ca -0.03 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 1a0l n GLY 216 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a0l n GLU 217 N -0.19 4.95 0.00 1.61 1.02 -1.26 -4.97 120.64 121.79 1a0l n GLU 217 Ca 0.00 -4.63 0.00 0.00 -0.02 0.00 0.00 57.16 52.51 1a0l n GLU 217 Cb 0.00 -2.47 0.00 0.00 -0.02 0.00 0.00 31.44 28.95 1a0l n GLU 217 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a0l n GLY 219 N 0.49 1.03 3.62 0.62 0.00 -1.26 -4.79 105.19 104.90 1a0l n GLY 219 Ca 0.38 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.95 1a0l n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a0l n ALA 221 N 4.13 -0.80 -2.41 0.00 0.00 -1.26 -4.75 120.51 115.42 1a0l n ALA 221 Ca -0.16 0.17 -0.33 0.00 0.00 0.00 0.00 53.44 53.12 1a0l n ALA 221 Cb 0.52 -2.44 -0.06 0.00 0.00 0.00 0.00 19.45 17.47 1a0l n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1a0l s GLN 221 N -5.30 3.87 0.15 0.00 -0.21 -1.26 -4.27 119.66 112.64 1a0l s GLN 221 Ca 0.11 0.35 -0.31 0.00 0.02 0.00 0.00 55.36 55.53 1a0l s GLN 221 Cb -0.05 -2.78 -0.11 0.00 1.00 0.00 0.00 33.01 31.07 1a0l s GLN 221 CO 0.14 0.40 1.74 -1.25 -2.12 0.00 0.00 175.29 174.19 1a0l s PRO 222 N -2.42 4.15 -1.03 2.91 0.04 -1.26 -2.41 135.00 134.98 1a0l s PRO 222 Ca 0.43 2.54 0.00 0.00 0.04 0.00 0.00 61.00 64.01 1a0l s PRO 222 Cb -0.13 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1a0l s PRO 222 CO 0.20 -0.77 0.00 0.09 0.04 0.00 0.00 177.00 176.57 1a0l n ASN 223 N 4.82 -3.98 -3.07 6.66 3.02 -1.26 -4.94 115.26 116.51 1a0l n ASN 223 Ca 0.16 0.17 -0.19 0.00 -0.03 0.00 0.00 54.58 54.70 1a0l n ASN 223 Cb 0.37 -2.66 -0.03 0.00 -0.61 0.00 0.00 39.78 36.85 1a0l n ASN 223 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1a0l n ARG 224 N -2.48 0.77 -1.28 3.52 5.12 -1.01 -3.69 116.66 117.61 1a0l n ARG 224 Ca -0.11 -2.83 -0.31 0.00 -1.93 0.00 0.00 57.85 52.67 1a0l n ARG 224 Cb 0.42 -1.32 0.10 0.00 -1.16 0.00 0.00 32.46 30.49 1a0l n ARG 224 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1a0l s PRO 225 N -0.83 2.12 0.31 5.56 0.04 -1.26 -4.30 135.00 136.64 1a0l s PRO 225 Ca 0.34 1.07 -0.29 0.00 0.04 0.00 0.00 61.00 62.16 1a0l s PRO 225 Cb 0.21 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.76 1a0l s PRO 225 CO -0.14 -1.71 1.37 0.20 0.04 0.00 0.00 177.00 176.77 1a0l s GLY 226 N -3.45 2.78 -0.17 0.56 0.00 -1.12 -4.76 107.32 101.16 1a0l s GLY 226 Ca 0.61 1.32 -0.07 0.00 0.00 0.00 0.00 44.72 46.59 1a0l s GLY 226 CO 0.56 2.08 0.05 -0.42 0.00 0.00 0.00 173.10 175.37 1a0l s ILE 227 N -0.77 4.68 0.12 0.90 -1.09 0.87 -1.86 121.20 124.06 1a0l s ILE 227 Ca 0.53 -0.08 0.11 0.00 -2.23 0.00 0.00 60.65 58.97 1a0l s ILE 227 Cb -0.41 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 1a0l s ILE 227 CO 0.51 0.48 -0.26 -0.31 -1.23 0.00 0.00 174.94 174.13 1a0l s TYR 228 N 0.22 2.24 0.16 3.97 1.51 0.17 -1.78 117.35 123.84 1a0l s TYR 228 Ca 0.03 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.41 1a0l s TYR 228 Cb -0.12 -1.22 -0.08 0.00 -0.11 0.00 0.00 41.96 40.43 1a0l s TYR 228 CO 0.01 0.32 1.23 0.99 -1.11 0.00 0.00 175.55 176.98 1a0l s THR 229 N -1.07 3.56 -0.27 -0.71 2.01 0.30 0.87 115.64 120.34 1a0l s THR 229 Ca 0.13 1.26 -0.28 0.00 0.31 0.00 0.00 61.69 63.12 1a0l s THR 229 Cb -0.10 -3.81 0.01 0.00 0.01 0.00 0.00 72.50 68.61 1a0l s THR 229 CO 0.06 0.18 0.99 -0.60 -0.69 0.00 0.00 174.62 174.56 1a0l s ARG 230 N 0.08 4.16 0.08 4.92 3.52 -0.14 -2.32 118.95 129.24 1a0l s ARG 230 Ca 0.55 1.13 -0.16 0.00 -0.13 0.00 0.00 55.73 57.12 1a0l s ARG 230 Cb -0.33 -3.68 -0.13 0.00 -1.56 0.00 0.00 34.95 29.26 1a0l s ARG 230 CO 0.35 -0.70 1.34 0.28 -0.81 0.00 0.00 175.30 175.77 1a0l h VAL 231 N 5.55 1.32 -1.04 7.11 2.07 -1.73 -3.13 116.25 126.40 1a0l h VAL 231 Ca -0.21 -1.60 0.27 0.00 0.82 0.00 0.00 66.70 65.98 1a0l h VAL 231 Cb 1.07 1.83 -0.09 0.00 -1.52 0.00 0.00 31.29 32.58 1a0l h VAL 231 CO 0.97 0.50 0.68 0.71 0.02 0.00 0.00 177.57 180.45 1a0l h THR 232 N 0.31 0.52 -0.68 2.57 1.35 -1.89 0.28 112.91 115.37 1a0l h THR 232 Ca 0.01 -0.13 0.02 0.00 -0.55 0.00 0.00 66.41 65.76 1a0l h THR 232 Cb 0.98 0.12 -0.04 0.00 -1.73 0.00 0.00 68.15 67.48 1a0l h THR 232 CO 0.09 0.07 0.45 0.22 -0.25 0.00 0.00 175.52 176.10 1a0l h TYR 233 N 0.37 0.83 -0.41 4.73 5.03 -1.91 -2.40 116.97 123.20 1a0l h TYR 233 Ca 0.59 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.89 1a0l h TYR 233 Cb 1.54 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 39.53 1a0l h TYR 233 CO -0.00 0.51 0.02 0.66 -1.32 0.00 0.00 178.16 178.02 1a0l n TYR 234 N -4.44 1.47 0.15 -3.82 4.01 0.94 -4.71 117.16 110.76 1a0l n TYR 234 Ca 0.08 -0.88 -0.14 0.00 -0.16 0.00 0.00 57.90 56.80 1a0l n TYR 234 Cb 0.08 -0.42 -0.08 0.00 -0.31 0.00 0.00 39.34 38.60 1a0l n TYR 234 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1a0l h LEU 235 N 2.61 -1.23 -1.09 7.72 5.85 -0.91 0.17 115.31 128.42 1a0l h LEU 235 Ca 0.03 0.12 0.16 0.00 0.84 0.00 0.00 57.88 59.03 1a0l h LEU 235 Cb 1.72 0.44 -0.09 0.00 0.37 0.00 0.00 40.66 43.09 1a0l h LEU 235 CO 0.37 -0.49 0.61 0.44 -0.34 0.00 0.00 178.44 179.03 1a0l h ASP 236 N -0.70 0.78 -0.24 1.25 5.19 -1.84 0.15 116.42 121.00 1a0l h ASP 236 Ca -0.02 0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.43 1a0l h ASP 236 Cb 0.66 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 1a0l h ASP 236 CO -0.16 0.34 0.05 -0.25 -3.12 0.00 0.00 179.24 176.10 1a0l h TRP 237 N 0.79 0.42 -0.70 4.55 7.01 -1.72 -2.30 115.95 124.00 1a0l h TRP 237 Ca 0.53 -0.05 0.07 0.00 2.11 0.00 0.00 58.89 61.54 1a0l h TRP 237 Cb 0.78 -0.12 -0.06 0.00 -2.10 0.00 0.00 29.16 27.67 1a0l h TRP 237 CO -0.00 0.50 0.39 0.82 -2.79 0.00 0.00 178.44 177.35 1a0l h ILE 238 N 0.22 0.95 0.00 2.65 2.04 0.18 -2.16 117.51 121.38 1a0l h ILE 238 Ca 0.08 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1a0l h ILE 238 Cb 0.29 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1a0l h ILE 238 CO 0.00 0.13 -0.02 0.45 0.00 0.00 0.00 178.15 178.71 1a0l h HIS 239 N 0.70 0.00 0.00 1.37 3.86 -0.48 0.01 115.15 120.61 1a0l h HIS 239 Ca 0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 1a0l h HIS 239 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 1a0l h HIS 239 CO -0.08 0.02 0.00 0.72 0.86 0.00 0.00 177.93 179.45 1a0l n HIS 240 N -3.13 0.53 0.00 2.45 8.25 -0.81 -3.38 115.22 119.12 1a0l n HIS 240 Ca -0.01 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1a0l n HIS 240 Cb 0.24 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 30.49 1a0l n HIS 240 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1a0l n TYR 241 N -1.99 0.00 -3.16 4.41 4.01 -0.96 -5.00 117.16 114.47 1a0l n TYR 241 Ca 0.02 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.32 1a0l n TYR 241 Cb 0.16 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.13 1a0l n TYR 241 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1a0l s VAL 242 N -1.83 4.88 0.53 -0.72 1.01 -0.05 -5.04 120.40 119.17 1a0l s VAL 242 Ca 0.00 -0.37 -0.22 0.00 0.00 0.00 0.00 61.98 61.39 1a0l s VAL 242 Cb 0.00 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 1a0l s VAL 242 CO 0.00 -0.74 1.25 -0.81 0.00 0.00 0.00 175.10 174.79 1a0l n PRO 243 N 6.15 1.54 -2.32 2.72 -0.04 -1.26 -4.51 135.00 137.28 1a0l n PRO 243 Ca -0.06 0.57 -0.42 0.00 -0.04 0.00 0.00 63.50 63.55 1a0l n PRO 243 Cb 0.46 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.46 1a0l n PRO 243 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1a0l s LYS 244 N -2.72 3.29 0.00 0.54 1.02 -1.26 -5.06 119.74 115.55 1a0l s LYS 244 Ca 0.71 0.64 0.00 0.00 0.02 0.00 0.00 55.97 57.33 1a0l s LYS 244 Cb -0.44 -4.14 0.00 0.00 -0.52 0.00 0.00 37.83 32.73 1a0l s LYS 244 CO 0.50 -1.94 0.00 1.17 -0.92 0.00 0.00 175.35 174.16