#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i0t h LEU 1 N 0.00 0.80 -0.34 1.04 3.38 -2.05 -1.81 115.31 116.33 3i0t h LEU 1 Ca 0.00 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3i0t h LEU 1 Cb 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3i0t h LEU 1 CO 0.00 0.53 0.13 -0.08 0.09 0.00 0.00 178.44 179.11 3i0t h GLU 2 N 0.94 0.28 -0.61 1.13 4.81 -2.05 -1.14 114.58 117.94 3i0t h GLU 2 Ca 0.35 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.50 3i0t h GLU 2 Cb 0.13 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3i0t h GLU 2 CO -0.16 0.19 0.14 0.87 -0.73 0.00 0.00 179.01 179.32 3i0t h LYS 3 N 0.29 0.99 -0.56 1.92 1.57 -1.94 -1.49 116.57 117.36 3i0t h LYS 3 Ca 0.15 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 3i0t h LYS 3 Cb 0.10 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3i0t h LYS 3 CO -0.14 0.91 0.14 1.96 -0.57 0.00 0.00 179.45 181.76 3i0t h GLN 4 N 0.90 0.89 -0.06 3.15 1.08 -1.10 -1.26 115.11 118.72 3i0t h GLN 4 Ca 0.19 -0.21 -0.16 0.00 -1.45 0.00 0.00 58.65 57.02 3i0t h GLN 4 Cb 0.37 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 3i0t h GLN 4 CO 0.00 0.83 -0.66 0.97 -0.95 0.00 0.00 178.83 179.02 3i0t h ILE 5 N 0.79 1.40 0.00 2.54 2.10 -1.09 -2.63 117.51 120.62 3i0t h ILE 5 Ca 0.18 -2.10 -0.08 0.00 1.08 0.00 0.00 64.86 63.94 3i0t h ILE 5 Cb 0.33 2.09 -0.01 0.00 -1.09 0.00 0.00 36.82 38.14 3i0t h ILE 5 CO 0.00 0.62 -0.37 -0.33 -1.08 0.00 0.00 178.15 176.99 3i0t h GLU 6 N 0.17 0.00 -0.33 2.19 5.08 -1.10 -2.43 114.58 118.16 3i0t h GLU 6 Ca -0.01 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3i0t h GLU 6 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3i0t h GLU 6 CO 0.10 0.37 -0.18 1.03 -1.00 0.00 0.00 179.01 179.33 3i0t h SER 7 N 0.00 0.61 -0.57 1.42 0.87 -0.87 -1.83 113.55 113.18 3i0t h SER 7 Ca -0.00 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.34 3i0t h SER 7 Cb 0.71 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 3i0t h SER 7 CO 0.05 0.80 0.26 1.88 -0.53 0.00 0.00 176.83 179.29 3i0t h TYR 8 N 0.55 0.84 -0.89 2.24 -1.99 -1.24 -1.64 116.97 114.83 3i0t h TYR 8 Ca 0.09 -0.05 0.01 0.00 2.00 0.00 0.00 58.73 60.78 3i0t h TYR 8 Cb 0.62 -0.26 -0.04 0.00 2.00 0.00 0.00 36.73 39.05 3i0t h TYR 8 CO 0.03 0.66 0.59 1.88 -0.00 0.00 0.00 178.16 181.32 3i0t h TYR 9 N 0.78 1.12 -0.32 4.88 0.05 -1.15 -0.70 116.97 121.63 3i0t h TYR 9 Ca 0.19 0.03 -0.17 0.00 0.05 0.00 0.00 58.73 58.83 3i0t h TYR 9 Cb 0.15 -0.38 -0.00 0.00 1.01 0.00 0.00 36.73 37.51 3i0t h TYR 9 CO 0.00 0.70 -0.47 0.37 -1.05 0.00 0.00 178.16 177.72 3i0t h GLN 10 N 1.21 0.85 -0.55 4.88 5.75 -1.31 -0.85 115.11 125.09 3i0t h GLN 10 Ca 0.33 -0.49 -0.09 0.00 -0.15 0.00 0.00 58.65 58.25 3i0t h GLN 10 Cb -0.13 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 3i0t h GLN 10 CO -0.07 1.13 -0.03 1.49 -2.65 0.00 0.00 178.83 178.70 3i0t h GLU 11 N 0.68 0.97 -0.10 1.69 4.81 -0.86 -0.21 114.58 121.55 3i0t h GLU 11 Ca 0.04 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 3i0t h GLU 11 Cb 1.06 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.34 3i0t h GLU 11 CO 0.11 0.97 -0.02 0.82 -0.73 0.00 0.00 179.01 180.15 3i0t h ILE 12 N 0.89 1.29 -0.65 2.32 2.04 -1.05 -1.75 117.51 120.59 3i0t h ILE 12 Ca 0.16 -0.94 0.05 0.00 1.00 0.00 0.00 64.86 65.13 3i0t h ILE 12 Cb 0.55 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 38.29 3i0t h ILE 12 CO 0.03 0.27 0.36 0.00 0.00 0.00 0.00 178.15 178.81 3i0t h ALA 13 N 0.69 0.86 -0.69 1.87 0.00 -1.07 -1.72 119.26 119.20 3i0t h ALA 13 Ca 0.03 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3i0t h ALA 13 Cb 0.43 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3i0t h ALA 13 CO 0.01 0.05 0.20 0.37 0.00 0.00 0.00 179.25 179.89 3i0t h GLN 14 N 0.68 1.07 -0.60 0.00 5.75 -0.93 -0.04 115.11 121.05 3i0t h GLN 14 Ca 0.28 -0.24 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 3i0t h GLN 14 Cb 0.15 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 3i0t h GLN 14 CO -0.17 0.94 0.28 -0.07 -2.65 0.00 0.00 178.83 177.16 3i0t h LEU 15 N 1.01 0.76 -0.11 -2.39 3.38 -1.00 -0.89 115.31 116.07 3i0t h LEU 15 Ca 0.22 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 3i0t h LEU 15 Cb 0.32 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3i0t h LEU 15 CO -0.00 0.65 -0.12 0.40 0.09 0.00 0.00 178.44 179.46 3i0t h ILE 16 N 0.84 1.36 -1.00 1.22 2.04 -0.81 -3.05 117.51 118.12 3i0t h ILE 16 Ca 0.21 -1.28 0.11 0.00 1.00 0.00 0.00 64.86 64.90 3i0t h ILE 16 Cb 0.09 1.96 -0.08 0.00 -0.74 0.00 0.00 36.82 38.06 3i0t h ILE 16 CO -0.03 0.37 0.63 0.40 0.00 0.00 0.00 178.15 179.52 3i0t h ILE 17 N -0.14 0.94 0.00 -0.67 2.04 -0.84 -0.73 117.51 118.11 3i0t h ILE 17 Ca 0.02 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 3i0t h ILE 17 Cb 0.64 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3i0t h ILE 17 CO 0.03 0.18 -0.00 0.44 0.00 0.00 0.00 178.15 178.80 3i0t h ASP 18 N 1.01 0.00 0.96 1.72 3.32 -1.06 -2.40 116.42 119.96 3i0t h ASP 18 Ca 0.49 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.46 3i0t h ASP 18 Cb 0.45 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3i0t h ASP 18 CO -0.26 0.00 -1.09 0.24 -1.72 0.00 0.00 179.24 176.42 3i0t h MET 19 N 0.00 0.00 -6.28 3.56 2.86 -1.07 -3.46 114.93 110.54 3i0t h MET 19 Ca -0.00 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.09 3i0t h MET 19 Cb 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3i0t h MET 19 CO 0.00 0.14 0.73 0.42 1.06 0.00 0.00 176.91 179.27 3i0t s ILE 20 N -3.16 4.27 -2.09 -1.22 1.01 -0.90 -4.94 121.20 114.16 3i0t s ILE 20 Ca -0.01 1.58 0.15 0.00 0.00 0.00 0.00 60.65 62.38 3i0t s ILE 20 Cb 0.09 -4.02 0.38 0.00 0.01 0.00 0.00 42.46 38.92 3i0t s ILE 20 CO 0.79 -0.02 1.37 -0.81 0.00 0.00 0.00 174.94 176.26 3i0t n PRO 21 N 5.42 1.89 -2.91 2.79 -0.04 -1.26 -4.96 135.00 135.93 3i0t n PRO 21 Ca 0.11 -1.37 -0.08 0.00 -0.04 0.00 0.00 63.50 62.12 3i0t n PRO 21 Cb 0.46 -1.34 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 3i0t n PRO 21 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3i0t n GLU 22 N 0.60 0.52 -2.38 0.54 0.28 -1.26 -5.09 120.64 113.86 3i0t n GLU 22 Ca 0.14 -1.58 -0.38 0.00 -0.16 0.00 0.00 57.16 55.18 3i0t n GLU 22 Cb 0.34 1.66 -0.03 0.00 1.43 0.00 0.00 31.44 34.85 3i0t n GLU 22 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 3i0t s GLU 23 N -2.33 4.11 0.02 3.44 2.02 -1.26 -5.02 118.70 119.67 3i0t s GLU 23 Ca 0.15 1.73 0.00 0.00 0.02 0.00 0.00 54.97 56.88 3i0t s GLU 23 Cb -0.01 -2.66 -0.02 0.00 0.10 0.00 0.00 34.13 31.54 3i0t s GLU 23 CO 0.11 -0.24 -0.03 1.67 0.02 0.00 0.00 175.26 176.78 3i0t s TRP 24 N -1.47 0.27 -0.20 1.61 1.48 -1.26 -2.49 118.94 116.87 3i0t s TRP 24 Ca 0.57 -0.39 0.14 0.00 -1.06 0.00 0.00 56.10 55.35 3i0t s TRP 24 Cb -0.28 -0.18 -0.22 0.00 -1.16 0.00 0.00 33.47 31.62 3i0t s TRP 24 CO 0.35 -0.13 0.01 0.00 -4.06 0.00 0.00 176.95 173.12 3i0t n ALA 25 N 1.96 1.52 -3.41 2.67 0.00 0.31 -4.57 120.51 118.99 3i0t n ALA 25 Ca -0.21 -1.22 -0.15 0.00 0.00 0.00 0.00 53.44 51.86 3i0t n ALA 25 Cb 0.56 -0.14 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 3i0t n ALA 25 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3i0t s GLU 26 N -2.47 0.77 -0.03 0.00 2.12 -1.23 -1.65 118.70 116.22 3i0t s GLU 26 Ca -0.14 0.34 0.04 0.00 0.36 0.00 0.00 54.97 55.56 3i0t s GLU 26 Cb 0.06 0.36 -0.00 0.00 0.26 0.00 0.00 34.13 34.81 3i0t s GLU 26 CO 0.74 -0.18 -0.13 0.08 -0.54 0.00 0.00 175.26 175.22 3i0t s VAL 27 N -0.62 1.10 -0.11 3.70 1.01 -0.26 0.39 120.40 125.61 3i0t s VAL 27 Ca -0.07 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3i0t s VAL 27 Cb -0.03 -0.94 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 3i0t s VAL 27 CO 0.05 0.32 -0.21 -0.13 0.00 0.00 0.00 175.10 175.13 3i0t s ARG 28 N -0.04 3.14 -0.02 2.72 0.52 0.49 -1.70 118.95 124.06 3i0t s ARG 28 Ca -0.00 -0.83 0.06 0.00 -0.52 0.00 0.00 55.73 54.44 3i0t s ARG 28 Cb -0.08 -2.39 -0.01 0.00 0.52 0.00 0.00 34.95 32.98 3i0t s ARG 28 CO 0.01 0.18 -0.21 0.12 0.02 0.00 0.00 175.30 175.42 3i0t s PHE 29 N 0.37 1.89 -0.04 -0.53 5.36 0.10 -0.91 117.98 124.23 3i0t s PHE 29 Ca -0.16 -0.39 0.04 0.00 -0.96 0.00 0.00 56.93 55.46 3i0t s PHE 29 Cb -0.17 -1.23 -0.00 0.00 -0.34 0.00 0.00 43.02 41.27 3i0t s PHE 29 CO 0.08 -0.06 -0.16 -0.47 -1.46 0.00 0.00 175.22 173.14 3i0t s TYR 30 N -0.41 1.62 -0.05 10.12 5.04 0.62 -1.25 117.35 133.04 3i0t s TYR 30 Ca 0.06 -0.44 -0.05 0.00 -2.44 0.00 0.00 57.07 54.20 3i0t s TYR 30 Cb -0.09 -1.09 0.01 0.00 0.35 0.00 0.00 41.96 41.15 3i0t s TYR 30 CO -0.00 -0.14 0.14 0.00 -1.34 0.00 0.00 175.55 174.21 3i0t s ALA 31 N -0.01 -0.36 -0.15 3.97 0.00 -0.50 -0.94 121.76 123.78 3i0t s ALA 31 Ca -0.02 0.34 -0.11 0.00 0.00 0.00 0.00 51.96 52.17 3i0t s ALA 31 Cb -0.11 -0.19 0.05 0.00 0.00 0.00 0.00 23.12 22.87 3i0t s ALA 31 CO 0.02 -0.09 0.37 -1.14 0.00 0.00 0.00 175.76 174.92 3i0t s GLN 32 N -0.13 0.39 -0.14 0.00 0.74 0.71 -0.43 119.66 120.80 3i0t s GLN 32 Ca -0.02 0.63 -0.11 0.00 0.05 0.00 0.00 55.36 55.91 3i0t s GLN 32 Cb -0.02 0.08 0.04 0.00 1.10 0.00 0.00 33.01 34.22 3i0t s GLN 32 CO 0.00 -0.11 0.35 -2.00 -0.55 0.00 0.00 175.29 172.99 3i0t s GLU 33 N 0.78 0.38 0.03 1.67 2.12 -0.68 -1.56 118.70 121.44 3i0t s GLU 33 Ca -0.05 0.57 0.00 0.00 0.36 0.00 0.00 54.97 55.86 3i0t s GLU 33 Cb -0.06 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.44 3i0t s GLU 33 CO -0.06 -0.09 0.04 -0.40 -0.54 0.00 0.00 175.26 174.21 3i0t n ASP 34 N 3.40 0.25 0.20 -1.70 5.68 -0.80 -4.56 116.55 119.01 3i0t n ASP 34 Ca -0.17 -1.08 0.05 0.00 -0.50 0.00 0.00 54.79 53.09 3i0t n ASP 34 Cb 0.56 -0.02 0.40 0.00 -1.14 0.00 0.00 41.12 40.92 3i0t n ASP 34 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 3i0t h HIS 35 N 0.08 0.00 -0.54 2.11 3.86 -1.96 -2.49 115.15 116.20 3i0t h HIS 35 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3i0t h HIS 35 Cb 0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.53 3i0t h HIS 35 CO 0.00 0.35 0.00 -0.25 0.86 0.00 0.00 177.93 178.89 3i0t n ASP 36 N -3.79 2.93 0.00 2.45 8.00 -1.26 -4.94 116.55 119.95 3i0t n ASP 36 Ca -0.01 -2.02 0.00 0.00 0.71 0.00 0.00 54.79 53.47 3i0t n ASP 36 Cb 0.43 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 3i0t n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i0t n GLY 37 N 1.33 0.99 3.70 0.44 0.00 -0.94 -5.01 105.19 105.70 3i0t n GLY 37 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3i0t n GLY 37 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3i0t s TRP 38 N -3.43 3.06 -0.01 1.61 -0.00 -1.26 -4.77 118.94 114.15 3i0t s TRP 38 Ca 0.00 0.88 0.05 0.00 -0.00 0.00 0.00 56.10 57.03 3i0t s TRP 38 Cb 0.00 -3.68 -0.01 0.00 -0.00 0.00 0.00 33.47 29.78 3i0t s TRP 38 CO 0.00 -2.44 -0.17 0.21 -0.00 0.00 0.00 176.95 174.56 3i0t s LYS 39 N 1.67 1.33 -0.04 5.86 2.20 -1.26 -1.91 119.74 127.60 3i0t s LYS 39 Ca 0.65 -0.62 0.02 0.00 -0.36 0.00 0.00 55.97 55.66 3i0t s LYS 39 Cb -0.35 -1.30 0.01 0.00 -1.51 0.00 0.00 37.83 34.69 3i0t s LYS 39 CO 0.29 0.35 -0.09 0.42 -0.36 0.00 0.00 175.35 175.96 3i0t s ILE 40 N -0.43 0.82 -0.07 5.43 1.01 -0.60 -5.02 121.20 122.34 3i0t s ILE 40 Ca 0.06 -0.35 -0.18 0.00 0.00 0.00 0.00 60.65 60.18 3i0t s ILE 40 Cb -0.07 -0.75 0.04 0.00 0.01 0.00 0.00 42.46 41.69 3i0t s ILE 40 CO -0.00 0.27 0.43 0.72 0.00 0.00 0.00 174.94 176.35 3i0t s PHE 41 N 0.43 -0.38 0.08 3.97 -0.12 -1.26 -0.21 117.98 120.48 3i0t s PHE 41 Ca -0.07 0.74 -0.27 0.00 -0.05 0.00 0.00 56.93 57.28 3i0t s PHE 41 Cb -0.11 0.18 0.08 0.00 -0.63 0.00 0.00 43.02 42.54 3i0t s PHE 41 CO 0.01 -0.39 0.90 -0.59 -0.05 0.00 0.00 175.22 175.10 3i0t s PHE 42 N -0.81 -0.26 0.10 3.49 -0.12 -0.11 -4.99 117.98 115.27 3i0t s PHE 42 Ca -0.09 0.04 0.02 0.00 -0.05 0.00 0.00 56.93 56.85 3i0t s PHE 42 Cb -0.04 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.90 3i0t s PHE 42 CO 0.04 -0.70 -0.07 -0.59 -0.05 0.00 0.00 175.22 173.86 3i0t s PHE 43 N -3.24 0.89 0.15 3.49 -0.12 -1.26 -0.28 117.98 117.61 3i0t s PHE 43 Ca 0.08 -0.90 0.09 0.00 -0.05 0.00 0.00 56.93 56.15 3i0t s PHE 43 Cb -0.01 -0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 41.82 3i0t s PHE 43 CO -0.04 -0.15 -0.19 -1.01 -0.05 0.00 0.00 175.22 173.78 3i0t s HIS 44 N -3.55 1.86 0.05 3.49 3.76 -0.09 -1.41 115.29 119.39 3i0t s HIS 44 Ca 0.11 -0.45 0.03 0.00 -0.15 0.00 0.00 55.06 54.61 3i0t s HIS 44 Cb 0.05 -0.95 -0.02 0.00 1.11 0.00 0.00 32.58 32.77 3i0t s HIS 44 CO -0.05 0.32 -0.10 1.52 -0.85 0.00 0.00 174.74 175.58 3i0t s TYR 45 N -1.80 0.84 -0.35 1.40 -0.85 -0.44 -0.37 117.35 115.78 3i0t s TYR 45 Ca 0.14 -0.44 -0.19 0.00 -0.52 0.00 0.00 57.07 56.06 3i0t s TYR 45 Cb -0.07 -0.49 -0.00 0.00 0.38 0.00 0.00 41.96 41.77 3i0t s TYR 45 CO 0.06 -0.03 0.54 -1.17 -1.52 0.00 0.00 175.55 173.43 3i0t s LEU 46 N -1.46 4.35 0.50 -3.49 2.96 0.16 -0.61 118.68 121.09 3i0t s LEU 46 Ca -0.06 -0.02 -0.23 0.00 -0.22 0.00 0.00 54.13 53.60 3i0t s LEU 46 Cb -0.09 -2.62 -0.07 0.00 0.50 0.00 0.00 46.19 43.91 3i0t s LEU 46 CO 0.01 -0.51 1.31 -0.24 -1.32 0.00 0.00 176.35 175.60 3i0t n SER 47 N 5.81 2.59 0.08 3.68 2.88 -0.39 -0.53 113.62 127.74 3i0t n SER 47 Ca -0.04 1.02 -0.10 0.00 -1.33 0.00 0.00 58.87 58.42 3i0t n SER 47 Cb 0.49 -1.54 -0.03 0.00 -0.75 0.00 0.00 64.21 62.37 3i0t n SER 47 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i0t h ALA 48 N 1.68 0.44 0.00 -1.46 0.00 -1.78 -3.39 119.26 114.74 3i0t h ALA 48 Ca -0.50 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 53.67 3i0t h ALA 48 Cb 1.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3i0t h ALA 48 CO 0.58 0.91 -0.08 0.66 0.00 0.00 0.00 179.25 181.33 3i0t h SER 49 N 0.13 0.00 -0.92 0.00 4.64 -1.92 -3.45 113.55 112.02 3i0t h SER 49 Ca -0.06 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.41 3i0t h SER 49 Cb 1.58 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.51 3i0t h SER 49 CO 0.15 0.21 -0.33 -1.54 -0.87 0.00 0.00 176.83 174.44 3i0t n SER 50 N -2.98 -0.55 -4.23 4.97 3.41 -1.26 -4.82 113.62 108.16 3i0t n SER 50 Ca -0.01 1.60 -0.39 0.00 -0.26 0.00 0.00 58.87 59.81 3i0t n SER 50 Cb 0.04 -0.39 -0.10 0.00 -0.26 0.00 0.00 64.21 63.49 3i0t n SER 50 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3i0t s ASP 51 N -5.31 5.51 0.16 4.04 3.84 -1.26 -5.15 116.67 118.50 3i0t s ASP 51 Ca -0.13 -1.61 0.09 0.00 -0.00 0.00 0.00 52.55 50.91 3i0t s ASP 51 Cb 0.20 -1.94 -0.04 0.00 -1.38 0.00 0.00 42.92 39.76 3i0t s ASP 51 CO 0.67 -0.53 -0.13 -1.61 -0.00 0.00 0.00 175.17 173.58 3i0t s GLU 52 N 1.36 1.96 0.23 2.11 2.02 -1.26 -4.84 118.70 120.27 3i0t s GLU 52 Ca 0.03 -1.25 -0.29 0.00 0.02 0.00 0.00 54.97 53.48 3i0t s GLU 52 Cb -0.23 -2.13 -0.09 0.00 0.10 0.00 0.00 34.13 31.78 3i0t s GLU 52 CO 0.00 0.45 0.90 -1.58 0.02 0.00 0.00 175.26 175.05 3i0t s TRP 53 N -1.54 3.95 -0.02 1.61 0.52 -1.26 -1.26 118.94 120.93 3i0t s TRP 53 Ca 0.23 1.84 0.06 0.00 0.02 0.00 0.00 56.10 58.25 3i0t s TRP 53 Cb -0.09 -2.93 -0.01 0.00 -1.15 0.00 0.00 33.47 29.29 3i0t s TRP 53 CO 0.13 0.45 -0.19 0.99 0.02 0.00 0.00 176.95 178.36 3i0t s THR 54 N -1.21 1.53 0.25 2.01 2.01 0.22 -4.96 115.64 115.49 3i0t s THR 54 Ca 0.41 -0.82 -0.26 0.00 0.31 0.00 0.00 61.69 61.33 3i0t s THR 54 Cb -0.25 -1.28 -0.09 0.00 0.01 0.00 0.00 72.50 70.90 3i0t s THR 54 CO 0.30 0.43 0.86 -0.54 -0.69 0.00 0.00 174.62 174.99 3i0t s LYS 55 N -0.39 4.59 0.23 4.92 1.02 -1.26 -1.33 119.74 127.52 3i0t s LYS 55 Ca 0.06 1.25 -0.12 0.00 0.02 0.00 0.00 55.97 57.17 3i0t s LYS 55 Cb -0.08 -3.04 0.31 0.00 -0.52 0.00 0.00 37.83 34.49 3i0t s LYS 55 CO -0.00 0.43 1.60 0.38 -0.92 0.00 0.00 175.35 176.84 3i0t h ASP 56 N 3.73 -0.74 0.05 2.83 3.04 -1.62 -1.16 116.42 122.56 3i0t h ASP 56 Ca -0.47 0.23 0.00 0.00 -3.24 0.00 0.00 57.03 53.55 3i0t h ASP 56 Cb 1.20 0.48 0.00 0.00 -1.04 0.00 0.00 39.33 39.97 3i0t h ASP 56 CO 0.66 -0.25 0.00 0.16 -2.04 0.00 0.00 179.24 177.77 3i0t h ILE 57 N -0.01 0.00 0.00 4.15 3.07 -1.94 -1.89 117.51 120.89 3i0t h ILE 57 Ca 0.36 -0.03 0.00 0.00 1.55 0.00 0.00 64.86 66.74 3i0t h ILE 57 Cb 0.56 1.02 0.00 0.00 -0.27 0.00 0.00 36.82 38.12 3i0t h ILE 57 CO -0.78 0.00 -0.53 0.47 -1.05 0.00 0.00 178.15 176.26 3i0t n ASP 58 N -3.07 0.59 -0.06 2.16 8.00 -0.44 -3.93 116.55 119.80 3i0t n ASP 58 Ca -0.03 0.04 0.11 0.00 0.71 0.00 0.00 54.79 55.62 3i0t n ASP 58 Cb 0.08 0.13 0.50 0.00 -0.02 0.00 0.00 41.12 41.81 3i0t n ASP 58 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3i0t h ILE 59 N 0.00 0.92 0.00 0.53 2.04 -1.30 -2.41 117.51 117.30 3i0t h ILE 59 Ca 0.00 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3i0t h ILE 59 Cb 0.65 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3i0t h ILE 59 CO 0.00 0.07 0.00 0.54 0.00 0.00 0.00 178.15 178.76 3i0t n ARG 60 N -4.47 0.05 0.16 2.37 1.74 -1.25 -1.60 116.66 113.66 3i0t n ARG 60 Ca 0.08 0.28 0.04 0.00 -0.77 0.00 0.00 57.85 57.48 3i0t n ARG 60 Cb 0.33 -1.60 0.10 0.00 -1.02 0.00 0.00 32.46 30.27 3i0t n ARG 60 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3i0t h ASP 61 N 0.00 0.00 0.00 0.55 3.32 -1.70 -3.37 116.42 115.23 3i0t h ASP 61 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i0t h ASP 61 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3i0t h ASP 61 CO 0.00 0.42 -1.06 1.33 -1.72 0.00 0.00 179.24 178.21 3i0t n VAL 62 N -3.24 0.00 -1.35 -1.35 0.24 -0.63 -5.05 118.33 106.96 3i0t n VAL 62 Ca 0.02 -0.22 -0.36 0.00 -2.04 0.00 0.00 64.34 61.75 3i0t n VAL 62 Cb 0.67 0.52 0.08 0.00 -1.47 0.00 0.00 33.84 33.65 3i0t n VAL 62 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3i0t n ILE 63 N -1.59 2.69 0.07 1.34 -5.35 -0.71 -4.94 119.36 110.87 3i0t n ILE 63 Ca -0.01 -0.38 0.05 0.00 -0.27 0.00 0.00 62.75 62.15 3i0t n ILE 63 Cb 0.17 -1.06 -0.08 0.00 -1.74 0.00 0.00 39.64 36.94 3i0t n ILE 63 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3i0t n LYS 64 N -1.71 0.83 -1.11 6.28 5.02 -1.26 -5.00 118.16 121.21 3i0t n LYS 64 Ca 0.13 -0.08 -0.31 0.00 -2.02 0.00 0.00 58.31 56.03 3i0t n LYS 64 Cb 0.49 -1.21 0.12 0.00 -0.02 0.00 0.00 35.03 34.41 3i0t n LYS 64 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3i0t s VAL 65 N -2.61 2.95 0.50 -0.18 -7.23 -1.26 -5.00 120.40 107.57 3i0t s VAL 65 Ca -0.03 0.31 -0.23 0.00 -1.81 0.00 0.00 61.98 60.22 3i0t s VAL 65 Cb 0.07 -2.68 -0.06 0.00 0.56 0.00 0.00 36.38 34.27 3i0t s VAL 65 CO 0.43 -0.40 1.32 -2.84 -0.31 0.00 0.00 175.10 173.29 3i0t s PRO 66 N -4.84 3.42 0.32 4.82 0.02 -1.26 -4.91 135.00 132.57 3i0t s PRO 66 Ca 0.63 2.14 0.06 0.00 0.02 0.00 0.00 61.00 63.84 3i0t s PRO 66 Cb -0.19 -2.38 0.71 0.00 0.02 0.00 0.00 34.50 32.66 3i0t s PRO 66 CO 0.57 -0.93 1.83 1.96 -0.33 0.00 0.00 177.00 180.10 3i0t h GLN 67 N 1.80 0.79 -0.07 5.54 1.08 -1.98 -0.67 115.11 121.61 3i0t h GLN 67 Ca -0.50 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 56.67 3i0t h GLN 67 Cb 1.28 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.53 3i0t h GLN 67 CO 0.59 0.52 0.06 -0.44 -0.95 0.00 0.00 178.83 178.61 3i0t h ASP 68 N 0.81 0.00 -0.23 1.46 3.32 -1.98 0.11 116.42 119.91 3i0t h ASP 68 Ca 0.50 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.37 3i0t h ASP 68 Cb 0.69 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 3i0t h ASP 68 CO -0.27 0.00 -0.52 -0.33 -1.72 0.00 0.00 179.24 176.41 3i0t h GLU 69 N 0.00 0.81 -0.18 3.56 5.08 -1.48 -0.32 114.58 122.05 3i0t h GLU 69 Ca 0.03 -0.50 -0.08 0.00 -1.00 0.00 0.00 59.36 57.81 3i0t h GLU 69 Cb 0.16 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 3i0t h GLU 69 CO -0.00 1.13 -0.22 0.35 -1.00 0.00 0.00 179.01 179.27 3i0t h PHE 70 N 0.63 0.56 -0.17 4.33 3.57 -1.18 -2.79 116.94 121.89 3i0t h PHE 70 Ca 0.02 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.32 3i0t h PHE 70 Cb 1.11 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 3i0t h PHE 70 CO 0.06 0.85 0.00 0.52 -2.23 0.00 0.00 178.31 177.52 3i0t h MET 71 N 0.12 0.25 -0.15 1.11 2.86 -0.78 0.11 114.93 118.43 3i0t h MET 71 Ca 0.02 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3i0t h MET 71 Cb 0.77 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 3i0t h MET 71 CO 0.05 0.27 0.09 1.49 1.06 0.00 0.00 176.91 179.87 3i0t h GLU 72 N 0.25 0.21 -0.51 1.72 4.81 -0.98 0.55 114.58 120.62 3i0t h GLU 72 Ca 0.06 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.15 3i0t h GLU 72 Cb 0.17 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3i0t h GLU 72 CO 0.00 0.22 -0.15 0.87 -0.73 0.00 0.00 179.01 179.22 3i0t h LYS 73 N 0.15 1.00 -0.33 1.92 1.79 -0.94 -1.41 116.57 118.75 3i0t h LYS 73 Ca 0.05 -0.39 0.07 0.00 -2.18 0.00 0.00 60.65 58.21 3i0t h LYS 73 Cb 0.06 -0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 30.58 3i0t h LYS 73 CO -0.01 1.06 -0.17 -0.92 -1.08 0.00 0.00 179.45 178.34 3i0t h TYR 74 N 0.88 -0.41 -0.87 -1.35 3.20 -0.65 -0.50 116.97 117.27 3i0t h TYR 74 Ca 0.13 0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.06 3i0t h TYR 74 Cb 0.71 0.23 -0.05 0.00 1.54 0.00 0.00 36.73 39.17 3i0t h TYR 74 CO 0.05 -0.24 0.57 -0.91 -1.64 0.00 0.00 178.16 175.98 3i0t h ASN 75 N -0.11 0.96 -0.42 -2.11 2.35 -0.55 0.05 115.58 115.74 3i0t h ASN 75 Ca 0.17 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 3i0t h ASN 75 Cb 0.37 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 3i0t h ASN 75 CO -0.40 0.68 -0.09 -0.33 -1.65 0.00 0.00 177.43 175.63 3i0t h GLU 76 N 1.13 0.87 -0.25 0.81 5.08 -0.71 0.32 114.58 121.83 3i0t h GLU 76 Ca 0.33 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3i0t h GLU 76 Cb -0.06 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3i0t h GLU 76 CO -0.10 0.93 0.08 1.25 -1.00 0.00 0.00 179.01 180.17 3i0t h LEU 77 N 0.79 0.37 -0.45 1.33 5.85 -0.81 0.01 115.31 122.41 3i0t h LEU 77 Ca 0.13 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.66 3i0t h LEU 77 Cb 0.60 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3i0t h LEU 77 CO 0.04 0.48 0.27 -1.28 -0.34 0.00 0.00 178.44 177.61 3i0t h SER 78 N 0.24 0.45 -0.17 1.25 0.87 -0.67 -1.60 113.55 113.91 3i0t h SER 78 Ca 0.08 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3i0t h SER 78 Cb 0.24 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3i0t h SER 78 CO -0.00 0.32 0.09 0.15 -0.53 0.00 0.00 176.83 176.86 3i0t h PHE 79 N 0.55 0.22 -0.72 2.24 3.57 -0.86 -2.95 116.94 119.00 3i0t h PHE 79 Ca 0.17 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.82 3i0t h PHE 79 Cb -0.01 -0.07 -0.11 0.00 2.79 0.00 0.00 35.95 38.55 3i0t h PHE 79 CO -0.06 0.21 0.17 0.00 -2.23 0.00 0.00 178.31 176.40 3i0t h ILE 81 N 0.27 0.64 -0.16 0.00 2.04 -1.16 0.41 117.51 119.55 3i0t h ILE 81 Ca 0.40 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 66.09 3i0t h ILE 81 Cb 0.67 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 3i0t h ILE 81 CO -0.49 0.00 -0.61 0.28 0.00 0.00 0.00 178.15 177.33 3i0t h SER 82 N -0.05 0.61 -0.20 1.72 0.02 -1.09 -1.88 113.55 112.69 3i0t h SER 82 Ca 0.15 -0.35 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 3i0t h SER 82 Cb 0.27 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 3i0t h SER 82 CO -0.32 1.07 0.03 -0.78 -1.14 0.00 0.00 176.83 175.68 3i0t h ASP 83 N 0.40 0.33 -0.19 3.07 3.58 -0.77 -1.89 116.42 120.94 3i0t h ASP 83 Ca -0.01 -0.27 0.05 0.00 0.42 0.00 0.00 57.03 57.23 3i0t h ASP 83 Cb 1.16 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 42.07 3i0t h ASP 83 CO 0.11 0.51 -0.18 0.15 -2.88 0.00 0.00 179.24 176.96 3i0t h PHE 84 N 0.12 -0.46 -0.90 0.28 3.57 -0.88 -1.81 116.94 116.87 3i0t h PHE 84 Ca 0.06 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.63 3i0t h PHE 84 Cb 0.33 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.25 3i0t h PHE 84 CO 0.02 -0.25 0.58 -0.09 -2.23 0.00 0.00 178.31 176.34 3i0t h ARG 85 N -0.20 1.07 -0.25 1.11 2.43 -1.18 0.13 114.38 117.50 3i0t h ARG 85 Ca 0.12 -0.06 -0.19 0.00 -0.81 0.00 0.00 59.98 59.03 3i0t h ARG 85 Cb 0.37 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3i0t h ARG 85 CO -0.31 0.71 -0.60 -0.22 -1.51 0.00 0.00 179.97 178.04 3i0t h LYS 86 N 1.10 0.84 -0.47 0.20 3.64 -1.07 -1.03 116.57 119.77 3i0t h LYS 86 Ca 0.37 -0.58 -0.14 0.00 -1.27 0.00 0.00 60.65 59.04 3i0t h LYS 86 Cb 0.05 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3i0t h LYS 86 CO -0.13 1.20 -0.23 0.22 -2.27 0.00 0.00 179.45 178.23 3i0t h ASP 87 N 0.61 1.02 -0.69 4.20 3.58 -0.95 -1.54 116.42 122.65 3i0t h ASP 87 Ca -0.01 -0.40 -0.02 0.00 0.42 0.00 0.00 57.03 57.02 3i0t h ASP 87 Cb 1.22 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.95 3i0t h ASP 87 CO 0.13 1.20 0.34 0.22 -2.88 0.00 0.00 179.24 178.25 3i0t h TYR 88 N 0.85 0.99 -0.56 0.28 3.20 -0.68 -1.50 116.97 119.55 3i0t h TYR 88 Ca 0.11 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 3i0t h TYR 88 Cb 0.82 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 3i0t h TYR 88 CO 0.05 0.73 0.05 0.00 -1.64 0.00 0.00 178.16 177.35 3i0t h ALA 89 N 1.16 0.74 -0.40 1.82 0.00 -1.00 -0.52 119.26 121.07 3i0t h ALA 89 Ca 0.24 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i0t h ALA 89 Cb 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3i0t h ALA 89 CO -0.03 0.53 0.25 0.93 0.00 0.00 0.00 179.25 180.92 3i0t h GLU 90 N 0.84 0.53 -0.09 0.00 4.39 -1.12 0.26 114.58 119.38 3i0t h GLU 90 Ca 0.16 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.73 3i0t h GLU 90 Cb 0.47 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3i0t h GLU 90 CO 0.02 0.38 -0.32 0.00 -1.16 0.00 0.00 179.01 177.93 3i0t h ALA 91 N 1.12 0.16 0.00 3.43 0.00 -1.05 -3.34 119.26 119.59 3i0t h ALA 91 Ca 0.14 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3i0t h ALA 91 Cb -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3i0t h ALA 91 CO -0.03 0.21 -1.18 1.19 0.00 0.00 0.00 179.25 179.44 3i0t n PHE 92 N -4.41 0.00 0.00 0.00 3.72 -0.22 -5.00 117.46 111.55 3i0t n PHE 92 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3i0t n PHE 92 Cb 0.49 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 3i0t n PHE 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i0t n GLY 93 N 1.43 3.34 2.86 1.37 0.00 0.91 -5.01 105.19 110.10 3i0t n GLY 93 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 3i0t n GLY 93 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i0t s GLU 94 N -0.70 0.02 0.59 1.61 -1.05 -1.24 -4.93 118.70 113.01 3i0t s GLU 94 Ca 0.00 0.02 -0.13 0.00 -0.15 0.00 0.00 54.97 54.70 3i0t s GLU 94 Cb 0.00 -0.06 -0.04 0.00 -0.44 0.00 0.00 34.13 33.58 3i0t s GLU 94 CO 0.00 -0.02 1.02 -1.25 0.95 0.00 0.00 175.26 175.97 3i0t s PRO 95 N 0.15 3.56 0.72 -4.83 0.04 -1.26 -4.36 135.00 129.02 3i0t s PRO 95 Ca -0.01 0.92 -0.12 0.00 0.04 0.00 0.00 61.00 61.82 3i0t s PRO 95 Cb -0.02 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.47 3i0t s PRO 95 CO -0.00 -0.60 1.08 1.67 0.04 0.00 0.00 177.00 179.19 3i0t s TRP 96 N -2.87 2.75 -0.20 0.56 1.48 -1.26 -4.99 118.94 114.40 3i0t s TRP 96 Ca 0.58 1.52 0.10 0.00 -1.06 0.00 0.00 56.10 57.24 3i0t s TRP 96 Cb -0.12 -3.03 -0.22 0.00 -1.16 0.00 0.00 33.47 28.94 3i0t s TRP 96 CO 0.44 -1.58 0.03 -1.33 -4.06 0.00 0.00 176.95 170.46 3i0t n MET 97 N -3.07 0.68 -3.90 3.25 2.81 0.00 -4.84 117.12 112.04 3i0t n MET 97 Ca 0.09 0.10 -0.08 0.00 -1.81 0.00 0.00 57.70 56.00 3i0t n MET 97 Cb 0.53 -1.56 -0.03 0.00 -0.71 0.00 0.00 33.22 31.45 3i0t n MET 97 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3i0t s SER 98 N -6.04 -0.21 0.13 7.83 1.04 -1.06 -1.69 113.70 113.70 3i0t s SER 98 Ca -0.20 -0.71 -0.16 0.00 0.48 0.00 0.00 55.95 55.36 3i0t s SER 98 Cb 0.07 0.68 0.03 0.00 0.10 0.00 0.00 66.02 66.91 3i0t s SER 98 CO 0.74 -1.28 0.40 0.72 0.98 0.00 0.00 173.24 174.81 3i0t s PHE 99 N -3.95 -0.19 0.02 5.02 -0.12 0.43 -1.46 117.98 117.72 3i0t s PHE 99 Ca 0.15 -0.13 0.07 0.00 -0.05 0.00 0.00 56.93 56.97 3i0t s PHE 99 Cb -0.04 0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 42.59 3i0t s PHE 99 CO 0.07 -0.71 -0.20 -0.65 -0.05 0.00 0.00 175.22 173.68 3i0t s GLN 100 N -3.81 1.44 -0.01 1.99 -0.21 -0.78 -1.41 119.66 116.86 3i0t s GLN 100 Ca 0.03 -0.85 0.01 0.00 0.02 0.00 0.00 55.36 54.57 3i0t s GLN 100 Cb 0.02 -1.49 0.01 0.00 1.00 0.00 0.00 33.01 32.54 3i0t s GLN 100 CO -0.12 0.39 -0.02 1.41 -2.12 0.00 0.00 175.29 174.83 3i0t s MET 101 N -0.92 0.31 -0.07 2.91 1.75 -0.38 -2.07 119.30 120.83 3i0t s MET 101 Ca 0.07 -0.06 0.04 0.00 -1.25 0.00 0.00 55.69 54.49 3i0t s MET 101 Cb -0.08 -0.36 -0.02 0.00 2.84 0.00 0.00 34.83 37.21 3i0t s MET 101 CO 0.01 0.00 -0.18 0.99 -0.65 0.00 0.00 175.02 175.19 3i0t s THR 102 N 0.29 2.65 0.04 10.11 2.01 -0.40 0.02 115.64 130.36 3i0t s THR 102 Ca -0.03 -0.85 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 3i0t s THR 102 Cb -0.06 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 3i0t s THR 102 CO -0.01 0.57 -0.00 0.72 -0.69 0.00 0.00 174.62 175.21 3i0t s PHE 103 N -0.26 0.40 0.33 4.92 -0.12 -0.69 -1.12 117.98 121.44 3i0t s PHE 103 Ca 0.01 -0.84 0.10 0.00 -0.05 0.00 0.00 56.93 56.15 3i0t s PHE 103 Cb -0.13 -0.29 -0.06 0.00 -0.63 0.00 0.00 43.02 41.91 3i0t s PHE 103 CO 0.03 -0.33 -0.11 0.71 -0.05 0.00 0.00 175.22 175.47 3i0t s TYR 104 N -3.10 2.40 0.40 3.49 2.02 0.18 -1.10 117.35 121.64 3i0t s TYR 104 Ca -0.01 -0.44 0.23 0.00 -0.37 0.00 0.00 57.07 56.48 3i0t s TYR 104 Cb 0.02 -1.29 1.25 0.00 -0.40 0.00 0.00 41.96 41.54 3i0t s TYR 104 CO -0.07 0.61 1.67 0.00 -1.57 0.00 0.00 175.55 176.19 3i0t h ALA 105 N 2.06 2.39 0.00 3.71 0.00 -1.56 -0.45 119.26 125.42 3i0t h ALA 105 Ca -0.42 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3i0t h ALA 105 Cb 1.25 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3i0t h ALA 105 CO 0.67 -0.96 0.00 -1.13 0.00 0.00 0.00 179.25 177.83 3i0t n SER 106 N -4.77 0.15 0.00 0.00 3.41 -1.26 -4.86 113.62 106.28 3i0t n SER 106 Ca 0.32 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 3i0t n SER 106 Cb 1.16 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3i0t n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i0t n GLY 107 N -0.29 1.22 3.77 5.00 0.00 -0.18 -5.06 105.19 109.65 3i0t n GLY 107 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3i0t n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i0t s LYS 108 N -0.40 3.65 0.15 1.61 1.02 -1.26 -4.82 119.74 119.70 3i0t s LYS 108 Ca 0.00 1.88 -0.16 0.00 0.02 0.00 0.00 55.97 57.72 3i0t s LYS 108 Cb 0.00 -2.40 0.03 0.00 -0.52 0.00 0.00 37.83 34.94 3i0t s LYS 108 CO 0.00 -0.67 0.43 -0.59 -0.92 0.00 0.00 175.35 173.61 3i0t s PHE 109 N -1.48 -0.11 0.01 3.18 -0.12 -1.26 -0.65 117.98 117.55 3i0t s PHE 109 Ca 0.65 -0.22 -0.00 0.00 -0.05 0.00 0.00 56.93 57.31 3i0t s PHE 109 Cb -0.31 0.28 -0.01 0.00 -0.63 0.00 0.00 43.02 42.34 3i0t s PHE 109 CO 0.38 -0.78 -0.01 -0.80 -0.05 0.00 0.00 175.22 173.96 3i0t s ASN 110 N -2.85 0.09 -0.01 1.98 -0.87 -0.27 -5.00 114.94 108.01 3i0t s ASN 110 Ca 0.07 -0.18 -0.07 0.00 -1.57 0.00 0.00 52.86 51.11 3i0t s ASN 110 Cb 0.01 0.04 0.00 0.00 -0.02 0.00 0.00 41.25 41.28 3i0t s ASN 110 CO -0.07 -0.11 0.13 -0.51 -2.57 0.00 0.00 177.10 173.96 3i0t s ILE 111 N -0.54 0.07 -0.04 0.60 2.07 -1.26 -1.28 121.20 120.82 3i0t s ILE 111 Ca -0.06 -0.60 -0.06 0.00 -1.41 0.00 0.00 60.65 58.52 3i0t s ILE 111 Cb -0.04 -0.39 0.01 0.00 0.13 0.00 0.00 42.46 42.18 3i0t s ILE 111 CO -0.00 -0.33 0.16 -0.62 -1.91 0.00 0.00 174.94 172.24 3i0t s ASP 112 N -1.16 -0.09 -0.05 4.50 2.15 -0.88 -5.02 116.67 116.12 3i0t s ASP 112 Ca -0.12 0.12 0.00 0.00 0.43 0.00 0.00 52.55 52.97 3i0t s ASP 112 Cb -0.07 0.29 -0.03 0.00 -0.30 0.00 0.00 42.92 42.81 3i0t s ASP 112 CO 0.01 -0.19 -0.04 -0.36 -0.17 0.00 0.00 175.17 174.43 3i0t s PHE 113 N -0.52 3.02 0.17 -5.34 0.08 -1.26 -1.87 117.98 112.26 3i0t s PHE 113 Ca -0.06 0.08 0.06 0.00 0.12 0.00 0.00 56.93 57.13 3i0t s PHE 113 Cb -0.04 -1.72 -0.05 0.00 -0.57 0.00 0.00 43.02 40.65 3i0t s PHE 113 CO 0.01 0.40 -0.12 0.71 -0.10 0.00 0.00 175.22 176.12 3i0t s TYR 114 N -0.90 1.47 -0.03 0.36 2.02 -0.53 -5.00 117.35 114.73 3i0t s TYR 114 Ca 0.14 -0.67 0.04 0.00 -0.37 0.00 0.00 57.07 56.22 3i0t s TYR 114 Cb -0.11 -0.71 0.07 0.00 -0.40 0.00 0.00 41.96 40.80 3i0t s TYR 114 CO 0.04 0.21 0.90 0.66 -1.57 0.00 0.00 175.55 175.79 3i0t n TYR 115 N -0.27 0.00 -2.85 2.71 4.01 -1.26 -0.82 117.16 118.69 3i0t n TYR 115 Ca -0.09 -0.37 -0.31 0.00 -0.16 0.00 0.00 57.90 56.97 3i0t n TYR 115 Cb 0.60 -0.06 -0.04 0.00 -0.31 0.00 0.00 39.34 39.53 3i0t n TYR 115 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3i0t s ASP 116 N -1.16 6.62 -0.01 7.72 1.01 -1.26 -4.84 116.67 124.75 3i0t s ASP 116 Ca 0.07 1.27 -0.19 0.00 0.71 0.00 0.00 52.55 54.41 3i0t s ASP 116 Cb 0.06 -2.38 -0.05 0.00 1.01 0.00 0.00 42.92 41.56 3i0t s ASP 116 CO 0.01 -0.38 0.52 -0.54 0.21 0.00 0.00 175.17 174.99 3i0t s LYS 117 N -3.64 4.21 -0.31 8.23 1.02 -1.26 -4.75 119.74 123.24 3i0t s LYS 117 Ca 0.54 0.60 -0.17 0.00 0.02 0.00 0.00 55.97 56.96 3i0t s LYS 117 Cb -0.10 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.88 3i0t s LYS 117 CO 0.27 0.45 0.46 1.21 -0.92 0.00 0.00 175.35 176.82 3i0t s ASN 118 N -0.40 6.31 0.00 2.83 2.47 -1.26 -4.96 114.94 119.93 3i0t s ASN 118 Ca 0.28 0.14 0.30 0.00 0.42 0.00 0.00 52.86 54.00 3i0t s ASN 118 Cb -0.17 -2.25 1.58 0.00 -1.45 0.00 0.00 41.25 38.96 3i0t s ASN 118 CO 0.15 -0.35 2.05 -0.81 -3.72 0.00 0.00 177.10 174.42 3i0t n PRO 119 N 5.55 1.13 -3.95 0.43 -0.04 -1.26 -4.89 135.00 131.97 3i0t n PRO 119 Ca -0.06 -0.30 -0.27 0.00 -0.04 0.00 0.00 63.50 62.84 3i0t n PRO 119 Cb 0.50 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 3i0t n PRO 119 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3i0t s PHE 120 N -2.07 3.46 0.83 0.54 0.08 -1.26 -5.11 117.98 114.45 3i0t s PHE 120 Ca 0.42 0.12 -0.11 0.00 0.12 0.00 0.00 56.93 57.48 3i0t s PHE 120 Cb 0.21 -1.66 0.18 0.00 -0.57 0.00 0.00 43.02 41.19 3i0t s PHE 120 CO 0.37 0.52 1.13 -0.40 -0.10 0.00 0.00 175.22 176.75 3i0t n ASP 121 N -0.46 0.43 0.11 1.36 5.68 -1.26 -4.72 116.55 117.70 3i0t n ASP 121 Ca -0.07 -1.62 -0.13 0.00 -0.50 0.00 0.00 54.79 52.47 3i0t n ASP 121 Cb 0.54 -0.83 -0.08 0.00 -1.14 0.00 0.00 41.12 39.61 3i0t n ASP 121 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 3i0t h THR 122 N -1.38 0.86 0.15 2.12 2.02 -1.98 0.25 112.91 114.95 3i0t h THR 122 Ca -0.37 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3i0t h THR 122 Cb 1.10 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 3i0t h THR 122 CO 0.29 0.01 -0.16 0.15 0.37 0.00 0.00 175.52 176.18 3i0t h PHE 123 N -0.23 -0.41 -0.40 3.16 3.57 -2.01 -2.16 116.94 118.47 3i0t h PHE 123 Ca -0.02 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.34 3i0t h PHE 123 Cb 0.17 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 3i0t h PHE 123 CO -0.06 -0.24 -0.30 1.25 -2.23 0.00 0.00 178.31 176.73 3i0t h LEU 124 N -0.34 0.91 -0.50 0.59 5.85 -1.92 -2.57 115.31 117.34 3i0t h LEU 124 Ca 0.00 -0.37 0.10 0.00 0.84 0.00 0.00 57.88 58.45 3i0t h LEU 124 Cb 0.33 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 3i0t h LEU 124 CO -0.04 1.14 -0.01 0.74 -0.34 0.00 0.00 178.44 179.92 3i0t h THR 125 N 0.74 0.60 -0.54 1.05 2.02 -0.32 0.18 112.91 116.63 3i0t h THR 125 Ca 0.08 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.19 3i0t h THR 125 Cb 0.86 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 3i0t h THR 125 CO 0.08 0.02 0.19 -0.09 0.37 0.00 0.00 175.52 176.08 3i0t h ARG 126 N 0.10 0.83 -0.38 6.66 2.43 -1.25 0.15 114.38 122.93 3i0t h ARG 126 Ca 0.25 -0.17 0.05 0.00 -0.81 0.00 0.00 59.98 59.30 3i0t h ARG 126 Cb 0.38 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 3i0t h ARG 126 CO -0.43 0.75 0.12 -0.07 -1.51 0.00 0.00 179.97 178.83 3i0t h LEU 127 N 0.75 0.11 -0.27 3.80 3.38 -1.01 0.46 115.31 122.53 3i0t h LEU 127 Ca 0.18 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 3i0t h LEU 127 Cb 0.25 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3i0t h LEU 127 CO -0.01 0.10 -0.25 0.00 0.09 0.00 0.00 178.44 178.36 3i0t h ALA 128 N 1.26 0.39 -0.60 1.53 0.00 -0.83 0.10 119.26 121.11 3i0t h ALA 128 Ca 0.18 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.74 3i0t h ALA 128 Cb 0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3i0t h ALA 128 CO -0.20 0.38 0.34 2.35 0.00 0.00 0.00 179.25 182.12 3i0t h TRP 129 N 0.37 0.64 -0.56 0.00 7.01 -0.39 -0.62 115.95 122.40 3i0t h TRP 129 Ca 0.04 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 60.98 3i0t h TRP 129 Cb 0.82 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.65 3i0t h TRP 129 CO 0.07 0.34 0.01 1.96 -2.79 0.00 0.00 178.44 178.03 3i0t h GLN 130 N 0.66 0.95 -0.97 2.65 4.20 0.26 -1.59 115.11 121.27 3i0t h GLN 130 Ca 0.25 -0.28 0.01 0.00 0.06 0.00 0.00 58.65 58.69 3i0t h GLN 130 Cb 0.09 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 3i0t h GLN 130 CO -0.14 0.93 0.63 -0.92 -0.67 0.00 0.00 178.83 178.67 3i0t h TYR 131 N 0.88 1.24 0.05 2.96 3.20 -0.47 -0.95 116.97 123.87 3i0t h TYR 131 Ca 0.16 0.02 -0.23 0.00 3.14 0.00 0.00 58.73 61.83 3i0t h TYR 131 Cb 0.50 -0.42 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3i0t h TYR 131 CO 0.03 0.79 -1.03 0.93 -1.64 0.00 0.00 178.16 177.24 3i0t h GLU 132 N 1.33 0.24 0.16 1.82 4.39 -0.78 -1.33 114.58 120.40 3i0t h GLU 132 Ca 0.36 -0.32 -0.28 0.00 0.34 0.00 0.00 59.36 59.46 3i0t h GLU 132 Cb -0.13 0.10 0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3i0t h GLU 132 CO -0.07 1.08 -1.36 0.45 -1.16 0.00 0.00 179.01 177.94 3i0t h HIS 133 N 0.11 0.60 -0.01 4.33 3.86 -1.26 -3.41 115.15 119.36 3i0t h HIS 133 Ca -0.08 -0.44 0.00 0.00 -1.16 0.00 0.00 60.37 58.69 3i0t h HIS 133 Cb 1.71 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.15 3i0t h HIS 133 CO 0.04 1.53 0.00 1.19 0.86 0.00 0.00 177.93 181.55 3i0t n PHE 134 N -3.87 0.01 -1.42 2.45 3.72 -0.38 -4.99 117.46 112.98 3i0t n PHE 134 Ca -0.21 -0.10 -0.14 0.00 -0.05 0.00 0.00 57.45 56.94 3i0t n PHE 134 Cb 0.95 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 39.42 3i0t n PHE 134 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i0t n GLY 135 N -0.04 1.46 3.73 1.37 0.00 -0.50 -4.95 105.19 106.26 3i0t n GLY 135 Ca 0.01 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3i0t n GLY 135 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i0t s THR 136 N -2.44 2.60 -0.17 2.61 2.01 -1.20 -4.90 115.64 114.15 3i0t s THR 136 Ca 0.00 0.46 0.01 0.00 0.31 0.00 0.00 61.69 62.46 3i0t s THR 136 Cb 0.00 -3.29 0.02 0.00 0.01 0.00 0.00 72.50 69.24 3i0t s THR 136 CO 0.00 0.05 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.17 3i0t s ILE 137 N 0.73 1.90 0.39 1.82 1.01 -1.26 -4.00 121.20 121.79 3i0t s ILE 137 Ca 0.66 -0.84 -0.27 0.00 0.00 0.00 0.00 60.65 60.21 3i0t s ILE 137 Cb -0.43 -1.73 -0.09 0.00 0.01 0.00 0.00 42.46 40.21 3i0t s ILE 137 CO 0.36 0.51 1.30 -2.84 0.00 0.00 0.00 174.94 174.27 3i0t s PRO 138 N 1.35 4.04 -0.00 2.79 0.02 -1.26 -4.97 135.00 136.97 3i0t s PRO 138 Ca 0.05 2.17 -0.24 0.00 0.02 0.00 0.00 61.00 62.99 3i0t s PRO 138 Cb -0.13 -2.81 -0.16 0.00 0.02 0.00 0.00 34.50 31.42 3i0t s PRO 138 CO -0.12 -0.43 1.14 1.05 -0.33 0.00 0.00 177.00 178.30 3i0t h GLU 139 N 2.81 -0.46 -6.45 5.54 9.09 -1.99 -3.41 114.58 119.71 3i0t h GLU 139 Ca -0.49 0.03 -0.62 0.00 0.05 0.00 0.00 59.36 58.33 3i0t h GLU 139 Cb 1.24 0.10 0.09 0.00 -1.65 0.00 0.00 28.75 28.53 3i0t h GLU 139 CO 0.63 -0.14 0.36 -3.47 0.05 0.00 0.00 179.01 176.44 3i0t n ASP 140 N -5.15 1.83 0.06 3.06 2.03 -1.26 -4.86 116.55 112.26 3i0t n ASP 140 Ca -0.09 1.15 -0.08 0.00 0.52 0.00 0.00 54.79 56.29 3i0t n ASP 140 Cb 0.28 -1.30 0.07 0.00 -0.72 0.00 0.00 41.12 39.44 3i0t n ASP 140 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3i0t h SER 141 N 3.40 0.39 -0.21 1.67 4.64 -1.99 -1.51 113.55 119.94 3i0t h SER 141 Ca -0.43 -0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 60.64 3i0t h SER 141 Cb 1.32 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3i0t h SER 141 CO 0.70 0.95 0.10 0.15 -0.87 0.00 0.00 176.83 177.86 3i0t h PHE 142 N 0.23 0.30 -0.81 4.77 3.57 -1.97 -1.45 116.94 121.57 3i0t h PHE 142 Ca -0.02 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.51 3i0t h PHE 142 Cb 1.22 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.81 3i0t h PHE 142 CO 0.03 0.29 0.51 1.88 -2.23 0.00 0.00 178.31 178.80 3i0t h TYR 143 N 0.21 0.96 -0.22 0.41 -1.99 -1.91 -1.84 116.97 112.59 3i0t h TYR 143 Ca 0.07 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.82 3i0t h TYR 143 Cb 0.11 -0.31 -0.01 0.00 2.00 0.00 0.00 36.73 38.51 3i0t h TYR 143 CO -0.03 0.53 0.12 -0.22 -0.00 0.00 0.00 178.16 178.56 3i0t h LYS 144 N 0.98 0.31 0.00 4.88 1.63 -1.17 -1.47 116.57 121.73 3i0t h LYS 144 Ca 0.34 -0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 60.04 3i0t h LYS 144 Cb 0.07 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 3i0t h LYS 144 CO -0.14 0.29 -0.27 1.05 -3.45 0.00 0.00 179.45 176.93 3i0t h GLU 145 N 0.25 0.00 -0.28 1.90 4.11 -1.06 -1.79 114.58 117.71 3i0t h GLU 145 Ca 0.08 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.44 3i0t h GLU 145 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3i0t h GLU 145 CO -0.01 0.27 -0.09 1.15 0.07 0.00 0.00 179.01 180.40 3i0t h THR 146 N 0.00 1.29 -0.14 -1.06 2.02 -1.12 -3.13 112.91 110.77 3i0t h THR 146 Ca -0.00 -1.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.01 3i0t h THR 146 Cb 0.88 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 3i0t h THR 146 CO 0.03 0.36 -0.07 0.25 0.37 0.00 0.00 175.52 176.47 3i0t h LEU 147 N 0.31 0.19 -1.49 2.58 5.85 -0.81 -2.60 115.31 119.33 3i0t h LEU 147 Ca 0.07 -0.03 0.15 0.00 0.84 0.00 0.00 57.88 58.91 3i0t h LEU 147 Cb 0.58 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 3i0t h LEU 147 CO 0.03 0.29 0.53 0.78 -0.34 0.00 0.00 178.44 179.72 3i0t h ASN 148 N 0.20 0.47 -0.94 1.25 2.35 -1.28 0.99 115.58 118.62 3i0t h ASN 148 Ca 0.04 0.03 0.08 0.00 -0.55 0.00 0.00 56.30 55.90 3i0t h ASN 148 Cb 0.25 -0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.49 3i0t h ASN 148 CO 0.01 0.24 0.61 -0.08 -1.65 0.00 0.00 177.43 176.56 3i0t h GLU 149 N 0.50 0.99 -0.00 0.81 4.81 -1.50 0.23 114.58 120.41 3i0t h GLU 149 Ca 0.39 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.48 3i0t h GLU 149 Cb 0.81 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.97 3i0t h GLU 149 CO -0.14 0.66 -0.33 -0.92 -0.73 0.00 0.00 179.01 177.54 3i0t h TYR 150 N 1.02 0.34 -0.51 0.92 3.20 -1.01 -3.26 116.97 117.68 3i0t h TYR 150 Ca 0.42 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3i0t h TYR 150 Cb 0.29 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 3i0t h TYR 150 CO -0.00 0.99 0.33 -0.07 -1.64 0.00 0.00 178.16 177.77 3i0t h LEU 151 N -0.40 0.58 -1.08 2.82 3.38 -0.81 -1.47 115.31 118.34 3i0t h LEU 151 Ca -0.04 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3i0t h LEU 151 Cb 1.08 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 3i0t h LEU 151 CO 0.07 0.43 0.62 -0.33 0.09 0.00 0.00 178.44 179.31 3i0t h GLU 152 N 0.69 1.17 -0.35 1.13 5.08 -0.65 0.24 114.58 121.89 3i0t h GLU 152 Ca 0.19 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 3i0t h GLU 152 Cb -0.08 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.90 3i0t h GLU 152 CO -0.04 0.78 -0.06 0.93 -1.00 0.00 0.00 179.01 179.61 3i0t h GLU 153 N 1.21 0.66 -0.59 2.33 4.39 -1.32 -3.03 114.58 118.23 3i0t h GLU 153 Ca 0.37 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 3i0t h GLU 153 Cb -0.02 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 3i0t h GLU 153 CO -0.11 0.81 0.32 0.87 -1.16 0.00 0.00 179.01 179.75 3i0t h LYS 154 N 0.46 0.81 0.00 2.33 1.57 -0.95 0.08 116.57 120.87 3i0t h LYS 154 Ca 0.09 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3i0t h LYS 154 Cb 0.56 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3i0t h LYS 154 CO 0.03 0.60 0.01 0.00 -0.57 0.00 0.00 179.45 179.52 3i0t h ALA 155 N 1.53 1.01 -0.41 3.86 0.00 -0.84 0.13 119.26 124.53 3i0t h ALA 155 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3i0t h ALA 155 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3i0t h ALA 155 CO -0.03 -0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.25 3i0t n GLN 156 N -2.96 2.22 -0.80 0.00 1.13 -0.01 -4.92 117.38 112.04 3i0t n GLN 156 Ca -0.03 -1.87 0.00 0.00 -1.94 0.00 0.00 57.00 53.16 3i0t n GLN 156 Cb 0.07 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 28.97 3i0t n GLN 156 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i0t n GLY 157 N 1.36 0.76 3.77 1.08 0.00 0.03 -5.05 105.19 107.15 3i0t n GLY 157 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3i0t n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i0t s LYS 158 N -0.20 4.41 0.10 1.61 1.02 -1.06 -5.00 119.74 120.61 3i0t s LYS 158 Ca 0.00 1.95 0.07 0.00 0.02 0.00 0.00 55.97 58.01 3i0t s LYS 158 Cb 0.00 -3.03 -0.03 0.00 -0.52 0.00 0.00 37.83 34.25 3i0t s LYS 158 CO 0.00 -0.05 -0.18 1.03 -0.92 0.00 0.00 175.35 175.23 3i0t s ARG 159 N -1.77 1.03 -0.53 1.68 1.81 -1.26 -4.22 118.95 115.69 3i0t s ARG 159 Ca 0.49 -1.11 0.05 0.00 -1.72 0.00 0.00 55.73 53.44 3i0t s ARG 159 Cb -0.34 -1.20 0.19 0.00 -0.45 0.00 0.00 34.95 33.15 3i0t s ARG 159 CO 0.44 0.27 0.46 0.66 -0.68 0.00 0.00 175.30 176.46 3i0t n TYR 160 N 1.09 1.03 0.28 -0.53 4.01 -1.26 -4.97 117.16 116.81 3i0t n TYR 160 Ca -0.20 -3.77 0.16 0.00 -0.16 0.00 0.00 57.90 53.93 3i0t n TYR 160 Cb 0.54 -0.20 0.83 0.00 -0.31 0.00 0.00 39.34 40.19 3i0t n TYR 160 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3i0t h PRO 161 N 5.16 0.00 0.00 -0.72 0.14 -1.98 -1.52 132.00 133.08 3i0t h PRO 161 Ca 0.19 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.33 3i0t h PRO 161 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.97 3i0t h PRO 161 CO 0.55 0.07 0.05 1.97 0.14 0.00 0.00 178.00 180.77 3i0t n PHE 162 N -3.43 0.26 -0.56 1.56 1.16 -1.26 -1.77 117.46 113.42 3i0t n PHE 162 Ca -0.02 0.14 0.01 0.00 -1.87 0.00 0.00 57.45 55.71 3i0t n PHE 162 Cb 0.21 -0.68 0.01 0.00 -1.61 0.00 0.00 39.48 37.42 3i0t n PHE 162 CO 0.00 0.00 0.00 1.47 -1.87 0.00 0.00 176.76 176.36 3i0t n LEU 163 N -1.75 1.27 -4.90 5.98 -0.00 -0.57 -4.81 117.00 112.22 3i0t n LEU 163 Ca -0.01 -1.41 -0.30 0.00 -0.00 0.00 0.00 56.01 54.30 3i0t n LEU 163 Cb 0.06 -0.04 -0.04 0.00 -0.00 0.00 0.00 43.42 43.39 3i0t n LEU 163 CO 0.03 0.35 0.15 -1.61 -0.00 0.00 0.00 177.39 176.31 3i0t s GLU 164 N -0.81 3.65 0.48 1.47 2.02 -0.73 -4.62 118.70 120.16 3i0t s GLU 164 Ca 0.03 -0.00 -0.21 0.00 0.02 0.00 0.00 54.97 54.81 3i0t s GLU 164 Cb 0.03 -2.70 -0.10 0.00 0.10 0.00 0.00 34.13 31.46 3i0t s GLU 164 CO 0.00 0.30 0.76 -2.30 0.02 0.00 0.00 175.26 174.05 3i0t n PRO 165 N -0.57 0.87 -1.06 0.39 -0.02 -1.26 -5.02 135.00 128.33 3i0t n PRO 165 Ca -0.02 0.32 -0.39 0.00 -2.02 0.00 0.00 63.50 61.40 3i0t n PRO 165 Cb 0.53 -1.84 -0.05 0.00 -0.02 0.00 0.00 33.50 32.13 3i0t n PRO 165 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i0t n LEU 166 N 0.51 4.25 0.00 2.45 4.77 -1.26 -5.12 117.00 122.60 3i0t n LEU 166 Ca 0.11 -2.89 0.00 0.00 -0.03 0.00 0.00 56.01 53.21 3i0t n LEU 166 Cb 0.42 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 3i0t n LEU 166 CO 0.54 -0.16 0.00 1.57 -1.33 0.00 0.00 177.39 178.01 3i0t n HIS 174 N 6.78 0.00 -2.12 -1.77 -0.00 -1.26 -5.20 115.22 111.65 3i0t n HIS 174 Ca 0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 58.17 3i0t n HIS 174 Cb 0.34 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.43 3i0t n HIS 174 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3i0t n HIS 175 N -1.02 0.95 -3.35 1.57 8.25 -1.26 -5.04 115.22 115.31 3i0t n HIS 175 Ca 0.00 -1.58 -0.28 0.00 -0.26 0.00 0.00 57.72 55.59 3i0t n HIS 175 Cb 0.00 -0.25 -0.03 0.00 1.12 0.00 0.00 29.99 30.83 3i0t n HIS 175 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3i0t s HIS 176 N -2.73 3.48 -0.08 4.41 4.02 -1.26 -5.52 115.29 117.61 3i0t s HIS 176 Ca 0.39 0.62 0.01 0.00 1.02 0.00 0.00 55.06 57.09 3i0t s HIS 176 Cb 0.38 -2.09 0.00 0.00 -1.02 0.00 0.00 32.58 29.85 3i0t s HIS 176 CO -0.06 0.18 0.52 1.58 1.02 0.00 0.00 174.74 177.98