#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 0.93 -0.42 1.04 3.38 -2.06 -2.50 115.31 115.67 3i0t h LEU 1 Ca 0.00 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.80 3i0t h LEU 1 Cb 0.00 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3i0t h LEU 1 CO 0.00 0.92 0.23 -0.08 0.09 0.00 0.00 178.44 179.60 3i0t h GLU 2 N 0.93 0.45 -0.76 1.13 4.81 -2.05 -1.44 114.58 117.64 3i0t h GLU 2 Ca 0.19 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 3i0t h GLU 2 Cb 0.37 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 3i0t h GLU 2 CO 0.01 0.30 0.32 0.87 -0.73 0.00 0.00 179.01 179.77 3i0t h LYS 3 N 0.46 1.12 -0.66 1.92 1.57 -1.96 -1.10 116.57 117.93 3i0t h LYS 3 Ca 0.18 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 3i0t h LYS 3 Cb 0.05 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 3i0t h LYS 3 CO -0.10 0.89 0.17 1.96 -0.57 0.00 0.00 179.45 181.80 3i0t h GLN 4 N 1.10 1.03 -0.80 3.15 1.08 -1.18 -0.13 115.11 119.35 3i0t h GLN 4 Ca 0.26 -0.23 -0.04 0.00 -1.45 0.00 0.00 58.65 57.19 3i0t h GLN 4 Cb 0.18 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.43 3i0t h GLN 4 CO -0.02 0.90 0.34 0.82 -0.95 0.00 0.00 178.83 179.92 3i0t h ILE 5 N 0.98 1.26 -0.74 2.54 1.08 -1.02 -2.51 117.51 119.10 3i0t h ILE 5 Ca 0.21 -0.78 0.02 0.00 -0.39 0.00 0.00 64.86 63.91 3i0t h ILE 5 Cb 0.33 0.28 -0.04 0.00 -3.07 0.00 0.00 36.82 34.32 3i0t h ILE 5 CO -0.00 0.33 0.48 -0.08 -0.69 0.00 0.00 178.15 178.19 3i0t h GLU 6 N 1.15 0.94 -0.80 2.37 4.81 -0.48 -1.91 114.58 120.67 3i0t h GLU 6 Ca 0.27 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3i0t h GLU 6 Cb 0.18 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 3i0t h GLU 6 CO -0.03 0.62 0.49 0.77 -0.73 0.00 0.00 179.01 180.14 3i0t h SER 7 N 0.97 0.95 -0.54 1.04 0.02 -0.73 0.59 113.55 115.85 3i0t h SER 7 Ca 0.28 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3i0t h SER 7 Cb -0.06 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.22 3i0t h SER 7 CO -0.08 0.72 0.34 1.88 -1.14 0.00 0.00 176.83 178.55 3i0t h TYR 8 N 1.09 0.71 -0.19 3.45 0.05 -1.18 -0.92 116.97 119.99 3i0t h TYR 8 Ca 0.29 0.00 0.03 0.00 0.05 0.00 0.00 58.73 59.10 3i0t h TYR 8 Cb -0.06 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.42 3i0t h TYR 8 CO -0.01 0.48 0.01 -0.92 -1.05 0.00 0.00 178.16 176.68 3i0t h TYR 9 N 0.73 0.02 -0.69 4.88 3.20 -0.70 -0.84 116.97 123.57 3i0t h TYR 9 Ca 0.20 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 3i0t h TYR 9 Cb -0.03 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 3i0t h TYR 9 CO -0.03 -0.01 0.28 1.96 -1.64 0.00 0.00 178.16 178.73 3i0t h GLN 10 N 0.08 1.03 -0.44 1.82 4.20 -0.66 0.14 115.11 121.29 3i0t h GLN 10 Ca 0.09 -0.18 -0.09 0.00 0.06 0.00 0.00 58.65 58.53 3i0t h GLN 10 Cb 0.10 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3i0t h GLN 10 CO -0.14 0.85 -0.07 1.49 -0.67 0.00 0.00 178.83 180.29 3i0t h GLU 11 N 0.98 0.82 -0.01 1.46 4.81 -0.99 -1.10 114.58 120.56 3i0t h GLU 11 Ca 0.23 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3i0t h GLU 11 Cb 0.20 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 3i0t h GLU 11 CO -0.02 0.92 -0.00 0.82 -0.73 0.00 0.00 179.01 180.00 3i0t h ILE 12 N 0.65 1.28 -0.99 2.32 2.04 -0.87 -2.72 117.51 119.21 3i0t h ILE 12 Ca 0.11 -0.82 0.12 0.00 1.00 0.00 0.00 64.86 65.27 3i0t h ILE 12 Cb 0.60 1.82 -0.08 0.00 -0.74 0.00 0.00 36.82 38.42 3i0t h ILE 12 CO 0.04 0.21 0.63 0.00 0.00 0.00 0.00 178.15 179.03 3i0t h ALA 13 N 0.66 1.53 -0.44 1.87 0.00 -0.71 -2.29 119.26 119.87 3i0t h ALA 13 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3i0t h ALA 13 Cb 0.35 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3i0t h ALA 13 CO 0.00 0.23 -0.10 0.37 0.00 0.00 0.00 179.25 179.75 3i0t h GLN 14 N 0.99 0.84 -0.72 0.00 5.75 -1.10 0.51 115.11 121.39 3i0t h GLN 14 Ca 0.49 -0.32 -0.05 0.00 -0.15 0.00 0.00 58.65 58.62 3i0t h GLN 14 Cb 0.47 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.94 3i0t h GLN 14 CO -0.25 0.95 0.25 -0.07 -2.65 0.00 0.00 178.83 177.06 3i0t h LEU 15 N 0.67 1.02 0.10 -2.39 3.38 -1.14 0.21 115.31 117.17 3i0t h LEU 15 Ca 0.11 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3i0t h LEU 15 Cb 0.63 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3i0t h LEU 15 CO 0.04 0.94 -0.05 0.40 0.09 0.00 0.00 178.44 179.86 3i0t h ILE 16 N 1.06 1.06 -0.71 1.22 2.04 -1.24 -2.67 117.51 118.27 3i0t h ILE 16 Ca 0.24 -0.60 0.12 0.00 1.00 0.00 0.00 64.86 65.62 3i0t h ILE 16 Cb 0.27 1.44 -0.08 0.00 -0.74 0.00 0.00 36.82 37.70 3i0t h ILE 16 CO -0.01 0.15 0.30 0.40 0.00 0.00 0.00 178.15 178.98 3i0t h ILE 17 N -0.40 0.74 -0.73 -0.67 2.04 -0.70 -0.66 117.51 117.12 3i0t h ILE 17 Ca -0.01 -0.16 0.14 0.00 1.00 0.00 0.00 64.86 65.83 3i0t h ILE 17 Cb 0.34 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 3i0t h ILE 17 CO 0.02 0.09 0.49 0.44 0.00 0.00 0.00 178.15 179.19 3i0t h ASP 18 N 0.48 0.37 1.21 1.72 3.32 -0.46 -2.51 116.42 120.54 3i0t h ASP 18 Ca 0.37 0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.30 3i0t h ASP 18 Cb 0.50 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 3i0t h ASP 18 CO -0.34 0.19 -0.82 0.24 -1.72 0.00 0.00 179.24 176.79 3i0t h MET 19 N 0.40 0.00 -6.30 3.56 2.86 -0.81 -3.46 114.93 111.18 3i0t h MET 19 Ca 0.35 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.44 3i0t h MET 19 Cb 0.82 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 3i0t h MET 19 CO -0.11 0.55 0.79 0.42 1.06 0.00 0.00 176.91 179.62 3i0t s ILE 20 N -2.89 4.07 -2.01 -1.22 1.01 -0.63 -4.92 121.20 114.61 3i0t s ILE 20 Ca 0.02 1.39 0.12 0.00 0.00 0.00 0.00 60.65 62.18 3i0t s ILE 20 Cb 0.08 -3.90 0.35 0.00 0.01 0.00 0.00 42.46 39.00 3i0t s ILE 20 CO 0.78 -0.03 1.29 -0.81 0.00 0.00 0.00 174.94 176.17 3i0t n PRO 21 N 5.56 1.90 -3.84 2.79 -0.04 -1.26 -4.93 135.00 135.18 3i0t n PRO 21 Ca 0.12 -1.40 -0.09 0.00 -0.04 0.00 0.00 63.50 62.10 3i0t n PRO 21 Cb 0.45 -1.30 0.01 0.00 -0.04 0.00 0.00 33.50 32.61 3i0t n PRO 21 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3i0t s GLU 22 N -1.48 2.11 0.19 0.54 -1.05 -1.26 -5.07 118.70 112.68 3i0t s GLU 22 Ca 0.26 -1.37 -0.30 0.00 -0.15 0.00 0.00 54.97 53.41 3i0t s GLU 22 Cb 0.14 0.61 -0.08 0.00 -0.44 0.00 0.00 34.13 34.35 3i0t s GLU 22 CO 0.18 -0.97 1.12 -2.00 0.95 0.00 0.00 175.26 174.53 3i0t s GLU 23 N -2.72 4.58 0.13 -4.83 2.12 -1.26 -4.98 118.70 111.73 3i0t s GLU 23 Ca 0.16 1.76 0.08 0.00 0.36 0.00 0.00 54.97 57.33 3i0t s GLU 23 Cb -0.05 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 3i0t s GLU 23 CO 0.11 0.06 -0.20 1.67 -0.54 0.00 0.00 175.26 176.36 3i0t s TRP 24 N -0.32 1.80 -0.18 5.30 1.48 -1.26 -1.33 118.94 124.43 3i0t s TRP 24 Ca 0.49 -0.44 0.15 0.00 -1.06 0.00 0.00 56.10 55.24 3i0t s TRP 24 Cb -0.30 -0.95 -0.21 0.00 -1.16 0.00 0.00 33.47 30.85 3i0t s TRP 24 CO 0.36 0.26 0.04 0.00 -4.06 0.00 0.00 176.95 173.55 3i0t n ALA 25 N 0.74 1.57 -3.48 2.67 0.00 0.14 -4.69 120.51 117.45 3i0t n ALA 25 Ca -0.17 -1.14 -0.16 0.00 0.00 0.00 0.00 53.44 51.97 3i0t n ALA 25 Cb 0.55 -0.11 -0.07 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.42 0.94 -0.01 0.00 2.12 -1.25 -1.04 118.70 117.04 3i0t s GLU 26 Ca -0.10 0.31 0.02 0.00 0.36 0.00 0.00 54.97 55.56 3i0t s GLU 26 Cb 0.05 0.44 0.00 0.00 0.26 0.00 0.00 34.13 34.89 3i0t s GLU 26 CO 0.70 -0.26 -0.06 0.08 -0.54 0.00 0.00 175.26 175.18 3i0t s VAL 27 N -0.92 0.55 -0.05 3.70 1.01 0.03 -0.19 120.40 124.53 3i0t s VAL 27 Ca -0.09 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.67 3i0t s VAL 27 Cb -0.02 -0.49 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 3i0t s VAL 27 CO 0.07 0.17 -0.19 -0.13 0.00 0.00 0.00 175.10 175.03 3i0t s ARG 28 N 0.07 2.02 -0.02 2.72 0.52 -0.40 -0.62 118.95 123.24 3i0t s ARG 28 Ca -0.01 -0.68 0.04 0.00 -0.52 0.00 0.00 55.73 54.57 3i0t s ARG 28 Cb -0.05 -1.72 -0.01 0.00 0.52 0.00 0.00 34.95 33.69 3i0t s ARG 28 CO -0.00 0.26 -0.14 0.12 0.02 0.00 0.00 175.30 175.56 3i0t s PHE 29 N 0.05 1.29 -0.04 -0.53 5.36 0.82 -0.42 117.98 124.51 3i0t s PHE 29 Ca -0.05 -0.28 0.04 0.00 -0.96 0.00 0.00 56.93 55.67 3i0t s PHE 29 Cb -0.13 -0.85 0.00 0.00 -0.34 0.00 0.00 43.02 41.70 3i0t s PHE 29 CO 0.03 -0.06 -0.15 -0.47 -1.46 0.00 0.00 175.22 173.11 3i0t s TYR 30 N -0.17 1.54 -0.02 10.12 5.04 -0.19 -1.25 117.35 132.41 3i0t s TYR 30 Ca 0.02 -0.45 -0.02 0.00 -2.44 0.00 0.00 57.07 54.18 3i0t s TYR 30 Cb -0.07 -1.06 0.01 0.00 0.35 0.00 0.00 41.96 41.19 3i0t s TYR 30 CO 0.00 -0.17 0.05 0.00 -1.34 0.00 0.00 175.55 174.10 3i0t s ALA 31 N 0.15 -0.12 -0.10 3.97 0.00 -0.65 -1.29 121.76 123.72 3i0t s ALA 31 Ca -0.05 0.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.04 3i0t s ALA 31 Cb -0.12 -0.11 0.04 0.00 0.00 0.00 0.00 23.12 22.94 3i0t s ALA 31 CO 0.02 -0.04 0.23 -1.14 0.00 0.00 0.00 175.76 174.84 3i0t s GLN 32 N 0.15 0.20 -0.12 0.00 0.74 0.15 -0.42 119.66 120.35 3i0t s GLN 32 Ca -0.01 0.50 -0.08 0.00 0.05 0.00 0.00 55.36 55.82 3i0t s GLN 32 Cb -0.02 -0.11 0.04 0.00 1.10 0.00 0.00 33.01 34.02 3i0t s GLN 32 CO -0.00 -0.16 0.31 -2.00 -0.55 0.00 0.00 175.29 172.89 3i0t s GLU 33 N 1.19 0.30 0.23 1.67 2.12 -0.54 -1.58 118.70 122.09 3i0t s GLU 33 Ca -0.09 0.56 0.03 0.00 0.36 0.00 0.00 54.97 55.84 3i0t s GLU 33 Cb -0.10 -0.01 0.03 0.00 0.26 0.00 0.00 34.13 34.32 3i0t s GLU 33 CO -0.08 -0.12 0.28 -0.40 -0.54 0.00 0.00 175.26 174.40 3i0t n ASP 34 N 3.83 1.04 0.19 -1.70 5.68 -1.02 -4.51 116.55 120.06 3i0t n ASP 34 Ca -0.21 -1.64 0.04 0.00 -0.50 0.00 0.00 54.79 52.48 3i0t n ASP 34 Cb 0.55 -0.13 0.45 0.00 -1.14 0.00 0.00 41.12 40.85 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 0.17 0.07 -0.28 2.11 3.86 -1.96 -1.77 115.15 117.35 3i0t h HIS 35 Ca -0.11 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3i0t h HIS 35 Cb 0.49 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.94 3i0t h HIS 35 CO 0.00 0.26 0.00 -0.25 0.86 0.00 0.00 177.93 178.80 3i0t n ASP 36 N -4.27 2.09 0.00 2.45 8.00 -1.26 -4.95 116.55 118.60 3i0t n ASP 36 Ca -0.02 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.64 3i0t n ASP 36 Cb 0.28 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 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 1.19 0.82 3.70 0.44 0.00 -0.67 -5.02 105.19 105.66 3i0t n GLY 37 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.19 3.30 -0.00 1.61 -0.00 -1.26 -4.80 118.94 114.59 3i0t s TRP 38 Ca 0.00 1.24 0.04 0.00 -0.00 0.00 0.00 56.10 57.38 3i0t s TRP 38 Cb 0.00 -3.43 -0.01 0.00 -0.00 0.00 0.00 33.47 30.03 3i0t s TRP 38 CO 0.00 -1.35 -0.14 0.21 -0.00 0.00 0.00 176.95 175.68 3i0t s LYS 39 N 1.63 1.08 -0.03 5.86 2.20 -1.26 -2.44 119.74 126.78 3i0t s LYS 39 Ca 0.58 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 55.68 3i0t s LYS 39 Cb -0.27 -1.05 0.01 0.00 -1.51 0.00 0.00 37.83 35.00 3i0t s LYS 39 CO 0.26 0.28 -0.06 0.42 -0.36 0.00 0.00 175.35 175.90 3i0t s ILE 40 N -0.39 0.55 -0.16 5.43 1.01 -0.61 -5.01 121.20 122.02 3i0t s ILE 40 Ca 0.05 -0.21 -0.24 0.00 0.00 0.00 0.00 60.65 60.25 3i0t s ILE 40 Cb -0.06 -0.52 0.06 0.00 0.01 0.00 0.00 42.46 41.95 3i0t s ILE 40 CO -0.00 0.19 0.61 0.72 0.00 0.00 0.00 174.94 176.46 3i0t s PHE 41 N 0.39 -0.62 0.04 3.97 -0.12 -1.26 0.30 117.98 120.68 3i0t s PHE 41 Ca -0.05 1.37 -0.28 0.00 -0.05 0.00 0.00 56.93 57.92 3i0t s PHE 41 Cb -0.09 0.27 0.09 0.00 -0.63 0.00 0.00 43.02 42.66 3i0t s PHE 41 CO 0.00 -0.42 0.88 -0.59 -0.05 0.00 0.00 175.22 175.05 3i0t s PHE 42 N -0.28 -0.31 0.11 3.49 -0.12 -0.42 -4.99 117.98 115.45 3i0t s PHE 42 Ca -0.05 0.14 0.03 0.00 -0.05 0.00 0.00 56.93 57.00 3i0t s PHE 42 Cb -0.03 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.88 3i0t s PHE 42 CO 0.04 -0.63 -0.09 -0.59 -0.05 0.00 0.00 175.22 173.90 3i0t s PHE 43 N -3.20 1.05 0.16 3.49 -0.12 -1.26 -1.03 117.98 117.07 3i0t s PHE 43 Ca 0.06 -0.77 0.09 0.00 -0.05 0.00 0.00 56.93 56.27 3i0t s PHE 43 Cb -0.01 -0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 41.77 3i0t s PHE 43 CO -0.07 -0.03 -0.21 -1.01 -0.05 0.00 0.00 175.22 173.86 3i0t s HIS 44 N -3.05 1.96 0.01 3.49 3.76 0.44 -1.98 115.29 119.92 3i0t s HIS 44 Ca 0.10 -0.43 0.01 0.00 -0.15 0.00 0.00 55.06 54.59 3i0t s HIS 44 Cb 0.01 -1.00 -0.01 0.00 1.11 0.00 0.00 32.58 32.69 3i0t s HIS 44 CO -0.01 0.35 -0.03 1.52 -0.85 0.00 0.00 174.74 175.71 3i0t s TYR 45 N -1.72 0.27 -0.48 1.40 -0.85 -0.31 -1.28 117.35 114.37 3i0t s TYR 45 Ca 0.15 -0.26 -0.24 0.00 -0.52 0.00 0.00 57.07 56.20 3i0t s TYR 45 Cb -0.07 -0.17 0.03 0.00 0.38 0.00 0.00 41.96 42.12 3i0t s TYR 45 CO 0.07 -0.08 0.87 -1.17 -1.52 0.00 0.00 175.55 173.72 3i0t s LEU 46 N -0.74 4.15 0.22 -3.49 2.96 0.74 -0.93 118.68 121.59 3i0t s LEU 46 Ca -0.06 -0.11 -0.32 0.00 -0.22 0.00 0.00 54.13 53.41 3i0t s LEU 46 Cb -0.05 -3.00 -0.12 0.00 0.50 0.00 0.00 46.19 43.52 3i0t s LEU 46 CO -0.00 -1.04 1.72 -0.24 -1.32 0.00 0.00 176.35 175.47 3i0t n SER 47 N 7.04 4.01 0.03 3.68 2.88 -0.71 0.29 113.62 130.84 3i0t n SER 47 Ca 0.03 1.07 -0.07 0.00 -1.33 0.00 0.00 58.87 58.56 3i0t n SER 47 Cb 0.48 -1.58 0.09 0.00 -0.75 0.00 0.00 64.21 62.45 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 6.66 0.79 0.20 -1.46 0.00 -1.48 -1.49 119.26 122.48 3i0t h ALA 48 Ca -0.43 -0.50 -0.32 0.00 0.00 0.00 0.00 54.91 53.66 3i0t h ALA 48 Cb 1.20 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.93 3i0t h ALA 48 CO 0.95 0.68 -1.48 0.66 0.00 0.00 0.00 179.25 180.06 3i0t h SER 49 N 0.36 0.67 0.42 0.00 4.64 -1.92 -3.36 113.55 114.36 3i0t h SER 49 Ca 0.01 -0.77 0.00 0.00 -0.47 0.00 0.00 61.79 60.56 3i0t h SER 49 Cb 1.03 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3i0t h SER 49 CO 0.09 1.62 -1.24 -1.54 -0.87 0.00 0.00 176.83 174.89 3i0t n SER 50 N -3.63 0.54 -1.72 4.97 3.41 -1.25 -4.99 113.62 110.94 3i0t n SER 50 Ca -0.16 -0.10 -0.21 0.00 -0.26 0.00 0.00 58.87 58.14 3i0t n SER 50 Cb 1.08 1.02 -0.08 0.00 -0.26 0.00 0.00 64.21 65.97 3i0t n SER 50 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3i0t n ASP 51 N -2.14 -5.57 -4.68 4.04 2.03 -0.56 -5.00 116.55 104.66 3i0t n ASP 51 Ca 0.00 0.43 -0.30 0.00 0.52 0.00 0.00 54.79 55.44 3i0t n ASP 51 Cb 0.48 -4.85 -0.08 0.00 -0.72 0.00 0.00 41.12 35.95 3i0t n ASP 51 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3i0t s GLU 52 N -3.97 2.52 0.26 -0.67 2.02 -1.26 -4.90 118.70 112.71 3i0t s GLU 52 Ca 0.00 -0.87 -0.30 0.00 0.02 0.00 0.00 54.97 53.82 3i0t s GLU 52 Cb 0.00 -2.52 -0.09 0.00 0.10 0.00 0.00 34.13 31.62 3i0t s GLU 52 CO 0.00 0.53 1.02 -1.58 0.02 0.00 0.00 175.26 175.25 3i0t s TRP 53 N -1.35 3.78 -0.03 1.61 0.52 -1.26 -1.73 118.94 120.47 3i0t s TRP 53 Ca 0.26 1.81 0.03 0.00 0.02 0.00 0.00 56.10 58.22 3i0t s TRP 53 Cb -0.11 -3.13 0.00 0.00 -1.15 0.00 0.00 33.47 29.08 3i0t s TRP 53 CO 0.18 -0.05 -0.12 0.99 0.02 0.00 0.00 176.95 177.98 3i0t s THR 54 N -1.18 0.98 0.29 2.01 2.01 -0.10 -4.96 115.64 114.70 3i0t s THR 54 Ca 0.43 -0.47 -0.25 0.00 0.31 0.00 0.00 61.69 61.70 3i0t s THR 54 Cb -0.29 -0.86 -0.09 0.00 0.01 0.00 0.00 72.50 71.26 3i0t s THR 54 CO 0.36 0.30 0.90 -0.54 -0.69 0.00 0.00 174.62 174.95 3i0t s LYS 55 N 0.15 4.56 0.27 4.92 1.02 -1.26 -1.16 119.74 128.23 3i0t s LYS 55 Ca -0.03 1.26 -0.01 0.00 0.02 0.00 0.00 55.97 57.21 3i0t s LYS 55 Cb -0.09 -2.89 0.59 0.00 -0.52 0.00 0.00 37.83 34.91 3i0t s LYS 55 CO 0.01 0.34 1.71 0.38 -0.92 0.00 0.00 175.35 176.87 3i0t h ASP 56 N 3.37 0.26 0.47 2.83 2.03 -1.78 -1.05 116.42 122.55 3i0t h ASP 56 Ca -0.47 0.14 0.00 0.00 -0.73 0.00 0.00 57.03 55.97 3i0t h ASP 56 Cb 1.19 0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.82 3i0t h ASP 56 CO 0.65 0.03 0.00 0.16 -1.03 0.00 0.00 179.24 179.06 3i0t h ILE 57 N 0.40 0.00 0.00 4.15 3.07 -1.93 -2.45 117.51 120.75 3i0t h ILE 57 Ca 0.48 -0.18 0.00 0.00 1.55 0.00 0.00 64.86 66.71 3i0t h ILE 57 Cb 0.84 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 38.31 3i0t h ILE 57 CO -0.48 0.00 -0.59 0.44 -1.05 0.00 0.00 178.15 176.47 3i0t h ASP 58 N 0.00 0.00 -0.98 2.16 3.32 -1.58 -3.35 116.42 116.00 3i0t h ASP 58 Ca 0.00 -0.14 0.19 0.00 0.02 0.00 0.00 57.03 57.10 3i0t h ASP 58 Cb 0.24 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.69 3i0t h ASP 58 CO 0.00 0.07 0.61 0.40 -1.72 0.00 0.00 179.24 178.60 3i0t h ILE 59 N 0.00 0.72 0.00 0.35 2.04 -1.44 -2.18 117.51 117.01 3i0t h ILE 59 Ca 0.00 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 3i0t h ILE 59 Cb 0.81 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3i0t h ILE 59 CO 0.00 0.13 -0.01 0.08 0.00 0.00 0.00 178.15 178.35 3i0t h ARG 60 N 0.69 0.00 -0.07 2.37 0.11 -1.77 -0.60 114.38 115.12 3i0t h ARG 60 Ca 0.54 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.57 3i0t h ARG 60 Cb 0.93 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.00 3i0t h ARG 60 CO -0.31 0.01 -0.19 -0.44 0.10 0.00 0.00 179.97 179.14 3i0t h ASP 61 N 0.00 0.10 -0.02 0.08 3.32 -1.66 -3.23 116.42 115.01 3i0t h ASP 61 Ca -0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3i0t h ASP 61 Cb 0.02 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3i0t h ASP 61 CO 0.00 0.31 0.00 1.33 -1.72 0.00 0.00 179.24 179.16 3i0t n VAL 62 N -4.26 0.18 -1.78 -1.35 0.24 -0.51 -5.06 118.33 105.78 3i0t n VAL 62 Ca -0.02 -0.59 -0.41 0.00 -2.04 0.00 0.00 64.34 61.29 3i0t n VAL 62 Cb 0.28 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.61 3i0t n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i0t n ILE 63 N 0.08 2.04 -0.13 1.34 3.06 -0.35 -4.95 119.36 120.45 3i0t n ILE 63 Ca 0.02 -0.50 -0.19 0.00 -2.50 0.00 0.00 62.75 59.57 3i0t n ILE 63 Cb 0.11 -1.99 -0.12 0.00 0.54 0.00 0.00 39.64 38.18 3i0t n ILE 63 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 3i0t n LYS 64 N 0.40 0.65 -1.29 9.51 4.76 -1.26 -4.99 118.16 125.94 3i0t n LYS 64 Ca 0.01 0.17 -0.30 0.00 -2.87 0.00 0.00 58.31 55.32 3i0t n LYS 64 Cb 0.39 -1.52 0.11 0.00 -1.84 0.00 0.00 35.03 32.16 3i0t n LYS 64 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3i0t s VAL 65 N -2.52 3.08 0.66 -0.18 -7.23 -1.26 -5.01 120.40 107.93 3i0t s VAL 65 Ca -0.35 0.35 -0.17 0.00 -1.81 0.00 0.00 61.98 60.00 3i0t s VAL 65 Cb 0.10 -2.88 -0.00 0.00 0.56 0.00 0.00 36.38 34.16 3i0t s VAL 65 CO 0.59 -0.46 1.23 -2.16 -0.31 0.00 0.00 175.10 173.99 3i0t s PRO 66 N -4.95 2.56 0.29 4.82 0.04 -1.26 -4.91 135.00 131.58 3i0t s PRO 66 Ca 0.62 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.51 3i0t s PRO 66 Cb -0.17 -1.87 0.52 0.00 0.04 0.00 0.00 34.50 33.01 3i0t s PRO 66 CO 0.56 -1.53 1.87 1.96 0.04 0.00 0.00 177.00 179.89 3i0t h GLN 67 N 0.35 1.02 -0.02 4.56 1.08 -1.98 -1.19 115.11 118.93 3i0t h GLN 67 Ca -0.49 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 56.64 3i0t h GLN 67 Cb 1.31 -0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 28.50 3i0t h GLN 67 CO 0.53 0.67 -0.01 -0.44 -0.95 0.00 0.00 178.83 178.63 3i0t h ASP 68 N 1.05 0.02 -0.44 1.46 3.32 -1.98 0.13 116.42 119.97 3i0t h ASP 68 Ca 0.45 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.41 3i0t h ASP 68 Cb 0.35 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3i0t h ASP 68 CO -0.21 0.04 -0.11 -0.33 -1.72 0.00 0.00 179.24 176.91 3i0t h GLU 69 N 0.02 0.85 0.03 3.56 5.08 -1.57 -0.79 114.58 121.77 3i0t h GLU 69 Ca 0.01 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3i0t h GLU 69 Cb 0.04 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3i0t h GLU 69 CO 0.00 0.96 -0.02 0.35 -1.00 0.00 0.00 179.01 179.31 3i0t h PHE 70 N 0.69 -0.04 -0.09 4.33 3.57 -1.25 -3.04 116.94 121.10 3i0t h PHE 70 Ca 0.11 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.64 3i0t h PHE 70 Cb 0.65 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 3i0t h PHE 70 CO 0.05 0.18 0.07 0.52 -2.23 0.00 0.00 178.31 176.90 3i0t h MET 71 N -0.27 0.00 -0.40 1.11 2.86 -0.68 -0.94 114.93 116.61 3i0t h MET 71 Ca -0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3i0t h MET 71 Cb 0.25 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3i0t h MET 71 CO 0.01 0.00 0.06 1.49 1.06 0.00 0.00 176.91 179.53 3i0t h GLU 72 N 0.00 0.67 -0.51 1.72 4.81 -1.04 -0.53 114.58 119.70 3i0t h GLU 72 Ca 0.04 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 58.98 3i0t h GLU 72 Cb 0.18 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3i0t h GLU 72 CO -0.00 0.72 -0.13 0.87 -0.73 0.00 0.00 179.01 179.74 3i0t h LYS 73 N 0.52 0.97 -0.30 1.92 1.79 -1.13 -1.57 116.57 118.76 3i0t h LYS 73 Ca 0.12 -0.36 0.05 0.00 -2.18 0.00 0.00 60.65 58.28 3i0t h LYS 73 Cb 0.38 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.92 3i0t h LYS 73 CO 0.01 1.03 -0.01 -0.92 -1.08 0.00 0.00 179.45 178.48 3i0t h TYR 74 N 0.86 -0.04 -0.44 -1.35 3.20 -1.01 0.11 116.97 118.30 3i0t h TYR 74 Ca 0.13 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.03 3i0t h TYR 74 Cb 0.68 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 3i0t h TYR 74 CO 0.04 -0.06 0.28 -0.91 -1.64 0.00 0.00 178.16 175.87 3i0t h ASN 75 N 0.08 0.49 -0.39 -2.11 2.35 -0.90 -0.72 115.58 114.38 3i0t h ASN 75 Ca 0.15 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 3i0t h ASN 75 Cb 0.20 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3i0t h ASN 75 CO -0.25 0.35 0.10 -0.33 -1.65 0.00 0.00 177.43 175.65 3i0t h GLU 76 N 0.58 0.70 -0.31 0.81 5.08 -0.95 0.12 114.58 120.61 3i0t h GLU 76 Ca 0.16 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 3i0t h GLU 76 Cb -0.06 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3i0t h GLU 76 CO -0.04 0.65 -0.25 1.25 -1.00 0.00 0.00 179.01 179.61 3i0t h LEU 77 N 0.68 0.76 -0.54 1.33 5.85 -0.22 -0.34 115.31 122.84 3i0t h LEU 77 Ca 0.15 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 3i0t h LEU 77 Cb 0.27 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3i0t h LEU 77 CO -0.00 1.05 0.29 -1.28 -0.34 0.00 0.00 178.44 178.16 3i0t h SER 78 N 0.48 0.67 0.01 1.25 0.87 -0.83 -1.83 113.55 114.18 3i0t h SER 78 Ca 0.06 -0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.53 3i0t h SER 78 Cb 0.81 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 3i0t h SER 78 CO 0.07 0.57 -0.05 0.15 -0.53 0.00 0.00 176.83 177.04 3i0t h PHE 79 N 0.72 -0.13 -0.99 2.24 3.57 -0.71 -2.90 116.94 118.74 3i0t h PHE 79 Ca 0.19 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.84 3i0t h PHE 79 Cb 0.05 0.06 -0.09 0.00 2.79 0.00 0.00 35.95 38.76 3i0t h PHE 79 CO -0.01 -0.08 0.62 0.00 -2.23 0.00 0.00 178.31 176.60 3i0t h ILE 81 N 0.88 1.13 -0.37 0.00 2.04 -1.26 -0.58 117.51 119.35 3i0t h ILE 81 Ca 0.52 -0.36 -0.13 0.00 1.00 0.00 0.00 64.86 65.88 3i0t h ILE 81 Cb 0.66 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3i0t h ILE 81 CO -0.29 0.12 -0.31 0.28 0.00 0.00 0.00 178.15 177.95 3i0t h SER 82 N 0.20 0.83 -0.49 1.72 0.02 -1.20 -1.83 113.55 112.79 3i0t h SER 82 Ca 0.07 -0.34 -0.11 0.00 -0.84 0.00 0.00 61.79 60.57 3i0t h SER 82 Cb 0.11 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 3i0t h SER 82 CO -0.01 1.07 -0.12 -0.78 -1.14 0.00 0.00 176.83 175.85 3i0t h ASP 83 N 0.67 0.96 -0.32 3.07 3.58 -0.99 -2.49 116.42 120.90 3i0t h ASP 83 Ca 0.07 -0.36 -0.00 0.00 0.42 0.00 0.00 57.03 57.16 3i0t h ASP 83 Cb 0.85 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 3i0t h ASP 83 CO 0.07 1.10 0.20 0.15 -2.88 0.00 0.00 179.24 177.88 3i0t h PHE 84 N 0.80 0.43 -0.59 0.28 3.57 -1.07 -2.81 116.94 117.55 3i0t h PHE 84 Ca 0.12 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.70 3i0t h PHE 84 Cb 0.68 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.22 3i0t h PHE 84 CO 0.05 0.31 0.26 -0.09 -2.23 0.00 0.00 178.31 176.61 3i0t h ARG 85 N 0.42 0.46 -0.47 1.11 2.43 -1.16 -0.33 114.38 116.84 3i0t h ARG 85 Ca 0.12 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3i0t h ARG 85 Cb 0.01 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 3i0t h ARG 85 CO -0.02 0.31 0.19 0.87 -1.51 0.00 0.00 179.97 179.80 3i0t h LYS 86 N 0.48 0.70 -0.34 0.20 1.57 -1.28 -1.09 116.57 116.81 3i0t h LYS 86 Ca 0.28 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 3i0t h LYS 86 Cb 0.28 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3i0t h LYS 86 CO -0.24 0.63 -0.11 0.22 -0.57 0.00 0.00 179.45 179.38 3i0t h ASP 87 N 0.62 0.68 -0.94 0.86 3.58 -1.28 -0.91 116.42 119.02 3i0t h ASP 87 Ca 0.16 -0.38 0.02 0.00 0.42 0.00 0.00 57.03 57.25 3i0t h ASP 87 Cb 0.19 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 41.01 3i0t h ASP 87 CO -0.01 0.91 0.62 0.22 -2.88 0.00 0.00 179.24 178.09 3i0t h TYR 88 N 0.45 1.16 -0.13 0.28 3.20 -0.88 -0.71 116.97 120.34 3i0t h TYR 88 Ca 0.08 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.78 3i0t h TYR 88 Cb 0.62 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3i0t h TYR 88 CO 0.05 0.70 -0.71 0.00 -1.64 0.00 0.00 178.16 176.56 3i0t h ALA 89 N 1.43 0.49 -0.54 1.82 0.00 -0.92 0.23 119.26 121.78 3i0t h ALA 89 Ca 0.36 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3i0t h ALA 89 Cb -0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3i0t h ALA 89 CO -0.09 0.72 0.27 0.93 0.00 0.00 0.00 179.25 181.08 3i0t h GLU 90 N 0.42 0.77 0.25 0.00 4.39 -0.84 0.13 114.58 119.69 3i0t h GLU 90 Ca -0.03 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 3i0t h GLU 90 Cb 1.31 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3i0t h GLU 90 CO 0.14 0.62 -0.12 0.00 -1.16 0.00 0.00 179.01 178.49 3i0t h ALA 91 N 1.11 -0.33 0.00 3.43 0.00 -1.02 -3.37 119.26 119.08 3i0t h ALA 91 Ca 0.19 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3i0t h ALA 91 Cb 0.10 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3i0t h ALA 91 CO -0.03 -0.38 -0.60 0.35 0.00 0.00 0.00 179.25 178.60 3i0t h PHE 92 N -0.95 0.00 0.00 0.00 3.57 -0.62 -3.48 116.94 115.46 3i0t h PHE 92 Ca -0.03 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.47 3i0t h PHE 92 Cb 0.48 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.22 3i0t h PHE 92 CO 0.05 0.60 0.00 0.41 -2.23 0.00 0.00 178.31 177.14 3i0t n GLY 93 N 0.47 2.89 3.00 2.40 0.00 0.43 -5.04 105.19 109.35 3i0t n GLY 93 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.30 0.38 0.54 1.61 -1.05 -1.23 -4.91 118.70 113.74 3i0t s GLU 94 Ca 0.00 -0.72 -0.17 0.00 -0.15 0.00 0.00 54.97 53.93 3i0t s GLU 94 Cb 0.00 0.09 -0.06 0.00 -0.44 0.00 0.00 34.13 33.72 3i0t s GLU 94 CO 0.00 -0.05 1.03 -1.25 0.95 0.00 0.00 175.26 175.94 3i0t s PRO 95 N -1.86 3.60 0.72 -4.83 0.04 -1.26 -4.22 135.00 127.18 3i0t s PRO 95 Ca -0.12 1.19 -0.13 0.00 0.04 0.00 0.00 61.00 61.98 3i0t s PRO 95 Cb -0.07 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.42 3i0t s PRO 95 CO -0.02 -0.58 1.11 1.67 0.04 0.00 0.00 177.00 179.22 3i0t s TRP 96 N -2.36 2.53 -0.21 0.56 1.48 -1.26 -4.95 118.94 114.73 3i0t s TRP 96 Ca 0.64 1.57 0.14 0.00 -1.06 0.00 0.00 56.10 57.38 3i0t s TRP 96 Cb -0.15 -3.15 -0.23 0.00 -1.16 0.00 0.00 33.47 28.79 3i0t s TRP 96 CO 0.31 -1.83 0.01 -1.33 -4.06 0.00 0.00 176.95 170.05 3i0t n MET 97 N -2.93 0.68 -3.78 3.25 2.81 0.56 -4.83 117.12 112.88 3i0t n MET 97 Ca 0.10 0.04 -0.09 0.00 -1.81 0.00 0.00 57.70 55.94 3i0t n MET 97 Cb 0.52 -1.53 -0.04 0.00 -0.71 0.00 0.00 33.22 31.46 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 -5.78 -0.21 0.09 7.83 1.04 -1.10 -1.47 113.70 114.10 3i0t s SER 98 Ca -0.16 -0.55 -0.04 0.00 0.48 0.00 0.00 55.95 55.67 3i0t s SER 98 Cb 0.07 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 3i0t s SER 98 CO 0.77 -1.04 0.10 0.72 0.98 0.00 0.00 173.24 174.77 3i0t s PHE 99 N -3.89 0.45 -0.02 5.02 -0.12 0.44 -1.21 117.98 118.65 3i0t s PHE 99 Ca 0.11 -0.91 0.05 0.00 -0.05 0.00 0.00 56.93 56.13 3i0t s PHE 99 Cb -0.00 -0.26 -0.01 0.00 -0.63 0.00 0.00 43.02 42.12 3i0t s PHE 99 CO -0.02 -0.51 -0.18 -0.65 -0.05 0.00 0.00 175.22 173.82 3i0t s GLN 100 N -3.93 1.58 -0.03 1.99 -0.21 -0.78 -1.63 119.66 116.64 3i0t s GLN 100 Ca 0.11 -0.64 0.01 0.00 0.02 0.00 0.00 55.36 54.85 3i0t s GLN 100 Cb 0.06 -1.48 0.02 0.00 1.00 0.00 0.00 33.01 32.62 3i0t s GLN 100 CO -0.07 0.35 -0.01 1.41 -2.12 0.00 0.00 175.29 174.86 3i0t s MET 101 N -0.30 0.36 -0.02 2.91 -2.45 -0.38 -1.70 119.30 117.71 3i0t s MET 101 Ca 0.04 0.03 0.07 0.00 -1.25 0.00 0.00 55.69 54.58 3i0t s MET 101 Cb -0.08 -0.49 -0.02 0.00 1.25 0.00 0.00 34.83 35.49 3i0t s MET 101 CO 0.00 -0.10 -0.24 0.99 1.05 0.00 0.00 175.02 176.72 3i0t s THR 102 N 0.85 1.87 0.05 10.11 2.01 -0.71 -0.13 115.64 129.70 3i0t s THR 102 Ca -0.09 -1.01 -0.03 0.00 0.31 0.00 0.00 61.69 60.87 3i0t s THR 102 Cb -0.12 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 3i0t s THR 102 CO -0.01 0.53 0.02 0.72 -0.69 0.00 0.00 174.62 175.19 3i0t s PHE 103 N -0.54 0.37 0.23 4.92 -0.12 0.21 -2.03 117.98 121.02 3i0t s PHE 103 Ca 0.09 -0.82 0.11 0.00 -0.05 0.00 0.00 56.93 56.25 3i0t s PHE 103 Cb -0.09 -0.27 -0.05 0.00 -0.63 0.00 0.00 43.02 41.98 3i0t s PHE 103 CO -0.01 -0.37 -0.21 0.71 -0.05 0.00 0.00 175.22 175.29 3i0t s TYR 104 N -3.34 2.21 0.44 3.49 2.02 -0.42 -0.79 117.35 120.95 3i0t s TYR 104 Ca 0.01 -0.37 0.25 0.00 -0.37 0.00 0.00 57.07 56.60 3i0t s TYR 104 Cb 0.03 -1.02 1.28 0.00 -0.40 0.00 0.00 41.96 41.85 3i0t s TYR 104 CO -0.08 0.58 1.73 0.00 -1.57 0.00 0.00 175.55 176.21 3i0t h ALA 105 N 2.72 2.56 0.00 3.71 0.00 -1.36 0.58 119.26 127.46 3i0t h ALA 105 Ca -0.42 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3i0t h ALA 105 Cb 1.23 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3i0t h ALA 105 CO 0.55 -1.02 0.00 0.66 0.00 0.00 0.00 179.25 179.44 3i0t h SER 106 N 0.23 0.00 0.00 0.00 4.64 -1.96 -3.46 113.55 113.01 3i0t h SER 106 Ca 0.66 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.98 3i0t h SER 106 Cb 1.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.08 3i0t h SER 106 CO -0.28 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.29 3i0t n GLY 107 N -0.20 0.61 3.77 -0.77 0.00 0.20 -5.07 105.19 103.72 3i0t n GLY 107 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3i0t n GLY 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i0t s LYS 108 N -0.79 4.39 0.13 1.61 2.20 -1.26 -4.87 119.74 121.15 3i0t s LYS 108 Ca 0.00 2.16 -0.05 0.00 -0.36 0.00 0.00 55.97 57.72 3i0t s LYS 108 Cb 0.00 -3.09 -0.03 0.00 -1.51 0.00 0.00 37.83 33.20 3i0t s LYS 108 CO 0.00 -0.14 0.14 -0.59 -0.36 0.00 0.00 175.35 174.40 3i0t s PHE 109 N -1.09 0.60 -0.02 4.03 -0.12 -1.26 -1.30 117.98 118.81 3i0t s PHE 109 Ca 0.49 -0.99 -0.08 0.00 -0.05 0.00 0.00 56.93 56.30 3i0t s PHE 109 Cb -0.39 -0.28 0.01 0.00 -0.63 0.00 0.00 43.02 41.73 3i0t s PHE 109 CO 0.51 -0.58 0.17 0.54 -0.05 0.00 0.00 175.22 175.81 3i0t s ASN 110 N -2.99 -0.06 -0.06 1.98 4.22 -0.86 -5.01 114.94 112.16 3i0t s ASN 110 Ca 0.18 0.01 0.01 0.00 -2.14 0.00 0.00 52.86 50.92 3i0t s ASN 110 Cb 0.06 0.27 0.02 0.00 1.28 0.00 0.00 41.25 42.88 3i0t s ASN 110 CO -0.01 -0.28 -0.06 -0.51 -2.04 0.00 0.00 177.10 174.20 3i0t s ILE 111 N -0.90 0.69 -0.00 0.54 2.07 -1.26 -1.73 121.20 120.61 3i0t s ILE 111 Ca -0.10 -0.20 0.08 0.00 -1.41 0.00 0.00 60.65 59.02 3i0t s ILE 111 Cb -0.05 -0.70 -0.02 0.00 0.13 0.00 0.00 42.46 41.82 3i0t s ILE 111 CO 0.01 0.27 -0.24 -1.81 -1.91 0.00 0.00 174.94 171.26 3i0t s ASP 112 N 0.99 2.79 0.03 4.50 1.01 -0.69 -5.00 116.67 120.30 3i0t s ASP 112 Ca -0.10 -0.46 0.03 0.00 0.71 0.00 0.00 52.55 52.73 3i0t s ASP 112 Cb -0.14 -0.29 -0.04 0.00 1.01 0.00 0.00 42.92 43.46 3i0t s ASP 112 CO -0.00 0.27 -0.01 -0.36 0.21 0.00 0.00 175.17 175.28 3i0t s PHE 113 N -0.62 3.03 0.09 4.23 0.08 -1.26 -1.87 117.98 121.66 3i0t s PHE 113 Ca 0.09 0.03 0.02 0.00 0.12 0.00 0.00 56.93 57.20 3i0t s PHE 113 Cb -0.09 -1.62 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 3i0t s PHE 113 CO -0.00 0.46 -0.08 0.71 -0.10 0.00 0.00 175.22 176.21 3i0t s TYR 114 N -1.16 0.93 -0.09 0.36 2.02 -0.35 -5.00 117.35 114.06 3i0t s TYR 114 Ca 0.21 -0.77 0.14 0.00 -0.37 0.00 0.00 57.07 56.28 3i0t s TYR 114 Cb -0.12 -0.52 0.28 0.00 -0.40 0.00 0.00 41.96 41.20 3i0t s TYR 114 CO 0.13 -0.08 1.13 0.66 -1.57 0.00 0.00 175.55 175.82 3i0t n TYR 115 N 0.33 0.00 -3.74 2.71 4.01 -1.26 -0.32 117.16 118.88 3i0t n TYR 115 Ca -0.15 -0.76 -0.28 0.00 -0.16 0.00 0.00 57.90 56.56 3i0t n TYR 115 Cb 0.59 -0.15 -0.03 0.00 -0.31 0.00 0.00 39.34 39.44 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 -2.29 6.39 0.16 7.72 1.01 -1.26 -4.87 116.67 123.52 3i0t s ASP 116 Ca 0.26 0.39 -0.26 0.00 0.71 0.00 0.00 52.55 53.65 3i0t s ASP 116 Cb 0.25 -2.01 -0.08 0.00 1.01 0.00 0.00 42.92 42.10 3i0t s ASP 116 CO -0.04 0.00 0.80 -0.54 0.21 0.00 0.00 175.17 175.60 3i0t s LYS 117 N -3.13 4.59 -0.30 8.23 1.02 -1.26 -4.74 119.74 124.16 3i0t s LYS 117 Ca 0.38 1.19 -0.11 0.00 0.02 0.00 0.00 55.97 57.45 3i0t s LYS 117 Cb -0.11 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 3i0t s LYS 117 CO 0.28 0.52 0.19 1.21 -0.92 0.00 0.00 175.35 176.63 3i0t s ASN 118 N -0.97 5.92 0.00 2.83 2.47 -1.26 -4.97 114.94 118.96 3i0t s ASN 118 Ca 0.37 -0.19 0.31 0.00 0.42 0.00 0.00 52.86 53.77 3i0t s ASN 118 Cb -0.23 -2.10 1.66 0.00 -1.45 0.00 0.00 41.25 39.13 3i0t s ASN 118 CO 0.27 -0.11 2.11 -0.81 -3.72 0.00 0.00 177.10 174.84 3i0t n PRO 119 N 5.06 0.64 -3.96 0.43 -0.04 -1.26 -4.91 135.00 130.96 3i0t n PRO 119 Ca -0.14 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.04 3i0t n PRO 119 Cb 0.51 -1.50 -0.04 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 -2.36 3.44 0.62 0.54 0.08 -1.26 -5.10 117.98 113.95 3i0t s PHE 120 Ca 0.36 0.14 -0.10 0.00 0.12 0.00 0.00 56.93 57.45 3i0t s PHE 120 Cb 0.21 -1.68 0.14 0.00 -0.57 0.00 0.00 43.02 41.12 3i0t s PHE 120 CO 0.42 0.54 0.85 -0.40 -0.10 0.00 0.00 175.22 176.53 3i0t n ASP 121 N -0.20 0.09 0.02 1.36 5.68 -1.26 -4.70 116.55 117.54 3i0t n ASP 121 Ca -0.07 -1.33 -0.12 0.00 -0.50 0.00 0.00 54.79 52.77 3i0t n ASP 121 Cb 0.53 -0.65 -0.08 0.00 -1.14 0.00 0.00 41.12 39.78 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 -1.46 1.17 -0.17 2.12 2.02 -1.98 0.21 112.91 114.81 3i0t h THR 122 Ca -0.28 -0.51 0.02 0.00 0.77 0.00 0.00 66.41 66.41 3i0t h THR 122 Cb 0.76 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 3i0t h THR 122 CO 0.20 0.13 0.06 0.15 0.37 0.00 0.00 175.52 176.43 3i0t h PHE 123 N -0.23 0.11 -0.02 3.16 3.57 -2.00 -1.53 116.94 120.00 3i0t h PHE 123 Ca -0.00 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.33 3i0t h PHE 123 Cb 0.22 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3i0t h PHE 123 CO -0.00 0.05 -0.78 1.25 -2.23 0.00 0.00 178.31 176.60 3i0t h LEU 124 N 0.14 0.23 -0.68 0.59 5.85 -1.92 -2.73 115.31 116.80 3i0t h LEU 124 Ca 0.07 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.67 3i0t h LEU 124 Cb 0.04 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 3i0t h LEU 124 CO -0.08 0.92 0.40 0.74 -0.34 0.00 0.00 178.44 180.09 3i0t h THR 125 N 0.12 1.03 -0.27 1.05 2.02 -0.33 -1.73 112.91 114.80 3i0t h THR 125 Ca -0.03 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 3i0t h THR 125 Cb 1.37 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3i0t h THR 125 CO 0.12 0.14 0.04 -0.09 0.37 0.00 0.00 175.52 176.10 3i0t h ARG 126 N 0.76 0.46 -0.69 6.66 2.43 -1.11 -0.03 114.38 122.87 3i0t h ARG 126 Ca 0.29 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 3i0t h ARG 126 Cb 0.11 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 3i0t h ARG 126 CO -0.14 0.58 0.42 -0.07 -1.51 0.00 0.00 179.97 179.24 3i0t h LEU 127 N 0.27 0.66 -0.39 3.80 3.38 -1.34 0.10 115.31 121.79 3i0t h LEU 127 Ca 0.08 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 3i0t h LEU 127 Cb 0.34 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3i0t h LEU 127 CO 0.01 0.45 -0.26 0.00 0.09 0.00 0.00 178.44 178.72 3i0t h ALA 128 N 1.31 0.55 -0.19 1.53 0.00 -1.26 0.19 119.26 121.39 3i0t h ALA 128 Ca 0.29 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3i0t h ALA 128 Cb 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3i0t h ALA 128 CO -0.13 0.57 0.01 2.35 0.00 0.00 0.00 179.25 182.05 3i0t h TRP 129 N 0.67 0.01 -0.41 0.00 7.01 -0.66 0.03 115.95 122.61 3i0t h TRP 129 Ca 0.08 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.14 3i0t h TRP 129 Cb 0.84 0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.87 3i0t h TRP 129 CO 0.06 -0.01 0.14 1.96 -2.79 0.00 0.00 178.44 177.80 3i0t h GLN 130 N 0.08 0.29 -0.02 2.65 4.20 -0.65 -0.13 115.11 121.52 3i0t h GLN 130 Ca 0.09 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.79 3i0t h GLN 130 Cb 0.10 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3i0t h GLN 130 CO -0.14 0.19 -0.03 -0.92 -0.67 0.00 0.00 178.83 177.26 3i0t h TYR 131 N 0.30 -0.08 -0.66 2.96 3.20 -0.68 0.30 116.97 122.32 3i0t h TYR 131 Ca 0.19 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 3i0t h TYR 131 Cb 0.18 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 3i0t h TYR 131 CO -0.15 -0.05 0.21 0.93 -1.64 0.00 0.00 178.16 177.45 3i0t h GLU 132 N -0.05 1.02 0.05 1.82 4.39 -0.74 -0.99 114.58 120.08 3i0t h GLU 132 Ca 0.02 -0.22 -0.23 0.00 0.34 0.00 0.00 59.36 59.27 3i0t h GLU 132 Cb 0.08 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3i0t h GLU 132 CO -0.05 0.89 -1.05 0.45 -1.16 0.00 0.00 179.01 178.09 3i0t h HIS 133 N 0.96 0.28 0.00 4.33 3.86 -0.84 -3.41 115.15 120.32 3i0t h HIS 133 Ca 0.21 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3i0t h HIS 133 Cb 0.29 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3i0t h HIS 133 CO 0.02 1.09 0.00 1.19 0.86 0.00 0.00 177.93 181.10 3i0t n PHE 134 N -3.52 0.00 -0.95 2.45 3.72 0.08 -4.97 117.46 114.27 3i0t n PHE 134 Ca -0.04 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 3i0t n PHE 134 Cb 0.93 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.47 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 -0.02 0.38 3.64 1.37 0.00 -0.38 -4.97 105.19 105.22 3i0t n GLY 135 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.91 3.34 0.08 2.61 2.01 -1.25 -4.94 115.64 115.57 3i0t s THR 136 Ca 0.00 0.40 -0.17 0.00 0.31 0.00 0.00 61.69 62.23 3i0t s THR 136 Cb 0.00 -3.31 -0.07 0.00 0.01 0.00 0.00 72.50 69.13 3i0t s THR 136 CO 0.00 -0.10 0.53 -0.63 -0.69 0.00 0.00 174.62 173.73 3i0t s ILE 137 N 5.18 4.83 0.53 1.82 -1.09 -1.26 -4.04 121.20 127.16 3i0t s ILE 137 Ca 0.82 1.04 -0.08 0.00 -2.23 0.00 0.00 60.65 60.20 3i0t s ILE 137 Cb -0.34 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.68 3i0t s ILE 137 CO 0.34 0.48 0.88 -2.16 -1.23 0.00 0.00 174.94 173.25 3i0t s PRO 138 N -1.32 3.59 -0.04 2.79 0.05 -1.26 -5.03 135.00 133.77 3i0t s PRO 138 Ca 0.30 0.43 -0.13 0.00 0.05 0.00 0.00 61.00 61.65 3i0t s PRO 138 Cb -0.18 -2.26 -0.07 0.00 0.05 0.00 0.00 34.50 32.04 3i0t s PRO 138 CO 0.18 -0.33 0.56 1.05 0.05 0.00 0.00 177.00 178.51 3i0t h GLU 139 N 0.10 -0.45 -6.20 4.56 9.09 -1.99 -3.42 114.58 116.27 3i0t h GLU 139 Ca -0.46 0.03 -0.59 0.00 0.05 0.00 0.00 59.36 58.39 3i0t h GLU 139 Cb 1.20 0.10 0.18 0.00 -1.65 0.00 0.00 28.75 28.58 3i0t h GLU 139 CO 0.62 -0.30 -0.84 -3.47 0.05 0.00 0.00 179.01 175.07 3i0t n ASP 140 N -4.96 -2.57 0.07 3.06 4.64 -1.26 -4.89 116.55 110.64 3i0t n ASP 140 Ca -0.06 0.70 -0.14 0.00 -1.38 0.00 0.00 54.79 53.90 3i0t n ASP 140 Cb 0.19 -0.98 -0.14 0.00 -1.04 0.00 0.00 41.12 39.15 3i0t n ASP 140 CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 3i0t h SER 141 N 0.11 0.31 -0.26 1.67 4.64 -1.99 -2.95 113.55 115.07 3i0t h SER 141 Ca -0.43 -0.39 -0.08 0.00 -0.47 0.00 0.00 61.79 60.42 3i0t h SER 141 Cb 1.43 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.40 3i0t h SER 141 CO 0.44 1.32 -0.10 0.15 -0.87 0.00 0.00 176.83 177.76 3i0t h PHE 142 N 0.05 0.72 -0.36 4.77 3.04 -1.98 -0.79 116.94 122.39 3i0t h PHE 142 Ca -0.18 -0.12 -0.13 0.00 3.98 0.00 0.00 57.97 61.53 3i0t h PHE 142 Cb 1.96 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 40.28 3i0t h PHE 142 CO 0.05 0.74 -0.27 1.88 -2.02 0.00 0.00 178.31 178.69 3i0t h TYR 143 N 0.61 0.95 -0.41 0.41 -1.99 -1.95 -1.65 116.97 112.94 3i0t h TYR 143 Ca 0.11 -0.27 0.03 0.00 2.00 0.00 0.00 58.73 60.60 3i0t h TYR 143 Cb 0.54 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 39.03 3i0t h TYR 143 CO 0.02 1.04 0.22 -0.22 -0.00 0.00 0.00 178.16 179.22 3i0t h LYS 144 N 0.60 0.44 -0.71 4.88 3.11 -1.32 0.16 116.57 123.72 3i0t h LYS 144 Ca 0.07 -0.03 0.01 0.00 -2.81 0.00 0.00 60.65 57.89 3i0t h LYS 144 Cb 0.84 -0.10 -0.04 0.00 -1.00 0.00 0.00 32.23 31.93 3i0t h LYS 144 CO 0.07 0.29 0.47 0.93 -2.81 0.00 0.00 179.45 178.40 3i0t h GLU 145 N 0.45 0.94 -0.25 1.90 5.08 -1.00 -1.74 114.58 119.96 3i0t h GLU 145 Ca 0.17 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3i0t h GLU 145 Cb 0.05 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3i0t h GLU 145 CO -0.10 0.63 0.08 1.15 -1.00 0.00 0.00 179.01 179.77 3i0t h THR 146 N 0.97 1.20 -0.51 1.13 2.02 -0.92 -2.29 112.91 114.50 3i0t h THR 146 Ca 0.26 -0.64 0.09 0.00 0.77 0.00 0.00 66.41 66.89 3i0t h THR 146 Cb -0.10 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3i0t h THR 146 CO -0.06 0.21 0.35 0.25 0.37 0.00 0.00 175.52 176.64 3i0t h LEU 147 N 0.24 0.29 -1.58 2.58 5.85 -0.65 -1.58 115.31 120.46 3i0t h LEU 147 Ca 0.08 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.84 3i0t h LEU 147 Cb 0.25 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3i0t h LEU 147 CO -0.00 0.18 0.32 0.78 -0.34 0.00 0.00 178.44 179.38 3i0t h ASN 148 N 0.32 0.47 -0.70 1.25 2.35 -0.72 -1.26 115.58 117.29 3i0t h ASN 148 Ca 0.23 -0.01 0.14 0.00 -0.55 0.00 0.00 56.30 56.12 3i0t h ASN 148 Cb 0.50 -0.11 -0.10 0.00 0.05 0.00 0.00 38.32 38.66 3i0t h ASN 148 CO -0.05 0.33 0.19 -0.33 -1.65 0.00 0.00 177.43 175.91 3i0t h GLU 149 N 0.55 0.29 -0.22 0.81 5.08 -1.22 0.19 114.58 120.05 3i0t h GLU 149 Ca 0.20 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.37 3i0t h GLU 149 Cb 0.10 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3i0t h GLU 149 CO -0.05 0.19 -0.52 -0.92 -1.00 0.00 0.00 179.01 176.71 3i0t h TYR 150 N 0.30 0.96 -0.53 4.33 5.03 -1.41 -3.11 116.97 122.54 3i0t h TYR 150 Ca 0.38 -0.36 -0.08 0.00 2.58 0.00 0.00 58.73 61.25 3i0t h TYR 150 Cb 0.62 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.70 3i0t h TYR 150 CO -0.24 1.16 -0.00 -0.07 -1.32 0.00 0.00 178.16 177.69 3i0t h LEU 151 N 0.48 0.88 -1.48 2.82 3.38 -0.45 -1.49 115.31 119.44 3i0t h LEU 151 Ca -0.00 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 3i0t h LEU 151 Cb 1.13 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3i0t h LEU 151 CO 0.11 0.94 -0.27 -0.33 0.09 0.00 0.00 178.44 178.99 3i0t h GLU 152 N 0.84 0.00 -0.32 1.13 5.08 -0.74 -0.31 114.58 120.25 3i0t h GLU 152 Ca 0.16 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.41 3i0t h GLU 152 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3i0t h GLU 152 CO 0.02 0.27 -0.22 0.93 -1.00 0.00 0.00 179.01 179.01 3i0t h GLU 153 N 0.00 0.72 -0.53 2.33 4.39 -1.23 -2.93 114.58 117.33 3i0t h GLU 153 Ca -0.00 -0.34 -0.04 0.00 0.34 0.00 0.00 59.36 59.32 3i0t h GLU 153 Cb 0.50 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 3i0t h GLU 153 CO 0.03 0.95 0.19 0.87 -1.16 0.00 0.00 179.01 179.89 3i0t h LYS 154 N 0.48 0.81 -0.84 2.33 1.79 -1.03 -2.65 116.57 117.47 3i0t h LYS 154 Ca 0.06 -0.16 0.14 0.00 -2.18 0.00 0.00 60.65 58.52 3i0t h LYS 154 Cb 0.77 -0.12 -0.06 0.00 -1.58 0.00 0.00 32.23 31.24 3i0t h LYS 154 CO 0.06 0.73 0.55 0.00 -1.08 0.00 0.00 179.45 179.71 3i0t h ALA 155 N 1.04 1.93 0.00 3.86 0.00 -1.05 0.63 119.26 125.67 3i0t h ALA 155 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3i0t h ALA 155 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3i0t h ALA 155 CO -0.01 -0.16 0.00 1.04 0.00 0.00 0.00 179.25 180.12 3i0t n GLN 156 N -4.53 0.43 -0.26 0.00 6.02 -1.07 -4.84 117.38 113.13 3i0t n GLN 156 Ca 0.16 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 3i0t n GLN 156 Cb 0.49 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.25 3i0t n GLN 156 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i0t n GLY 157 N 0.26 0.87 3.81 1.08 0.00 0.21 -5.07 105.19 106.34 3i0t n GLY 157 Ca 0.12 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.72 4.35 0.03 1.61 1.02 -1.02 -5.02 119.74 120.00 3i0t s LYS 158 Ca 0.00 1.10 0.05 0.00 0.02 0.00 0.00 55.97 57.14 3i0t s LYS 158 Cb 0.00 -2.62 -0.02 0.00 -0.52 0.00 0.00 37.83 34.67 3i0t s LYS 158 CO 0.00 0.21 -0.14 1.03 -0.92 0.00 0.00 175.35 175.53 3i0t s ARG 159 N -2.42 1.00 -0.58 1.68 1.81 -1.26 -4.19 118.95 114.99 3i0t s ARG 159 Ca 0.52 -0.71 0.05 0.00 -1.72 0.00 0.00 55.73 53.87 3i0t s ARG 159 Cb -0.15 -1.00 0.20 0.00 -0.45 0.00 0.00 34.95 33.55 3i0t s ARG 159 CO 0.20 0.25 0.53 0.66 -0.68 0.00 0.00 175.30 176.26 3i0t n TYR 160 N 2.07 1.86 0.29 -0.53 4.02 -1.26 -4.97 117.16 118.64 3i0t n TYR 160 Ca -0.17 -3.93 0.15 0.00 -0.01 0.00 0.00 57.90 53.94 3i0t n TYR 160 Cb 0.55 -0.36 0.91 0.00 -0.02 0.00 0.00 39.34 40.41 3i0t n TYR 160 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3i0t h PRO 161 N 4.92 0.00 0.00 -0.72 0.11 -1.98 -2.35 132.00 131.98 3i0t h PRO 161 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3i0t h PRO 161 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3i0t h PRO 161 CO 0.63 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.39 3i0t n PHE 162 N -3.85 0.09 -1.01 0.65 -1.74 -1.26 -1.71 117.46 108.63 3i0t n PHE 162 Ca -0.03 0.05 0.04 0.00 -0.56 0.00 0.00 57.45 56.95 3i0t n PHE 162 Cb 0.09 -0.58 0.06 0.00 1.52 0.00 0.00 39.48 40.57 3i0t n PHE 162 CO 0.00 0.00 0.00 1.47 -0.56 0.00 0.00 176.76 177.67 3i0t n LEU 163 N -1.60 1.42 -4.86 5.98 -0.00 -0.89 -4.80 117.00 112.25 3i0t n LEU 163 Ca 0.00 -1.94 -0.35 0.00 -0.00 0.00 0.00 56.01 53.72 3i0t n LEU 163 Cb 0.02 -0.17 -0.06 0.00 -0.00 0.00 0.00 43.42 43.21 3i0t n LEU 163 CO 0.03 0.46 -0.18 -1.61 -0.00 0.00 0.00 177.39 176.08 3i0t s GLU 164 N -1.39 3.37 1.21 1.47 2.02 -0.70 -4.57 118.70 120.11 3i0t s GLU 164 Ca 0.13 -0.25 -0.14 0.00 0.02 0.00 0.00 54.97 54.73 3i0t s GLU 164 Cb 0.11 -3.10 0.30 0.00 0.10 0.00 0.00 34.13 31.55 3i0t s GLU 164 CO 0.01 0.73 1.01 -1.25 0.02 0.00 0.00 175.26 175.78 3i0t s PRO 165 N -1.39 -1.25 -0.02 0.39 0.04 -1.26 -5.02 135.00 126.49 3i0t s PRO 165 Ca 0.20 0.72 -0.24 0.00 0.04 0.00 0.00 61.00 61.71 3i0t s PRO 165 Cb -0.12 -1.52 -0.18 0.00 0.04 0.00 0.00 34.50 32.72 3i0t s PRO 165 CO 0.10 -3.91 1.17 -0.07 0.04 0.00 0.00 177.00 174.33 3i0t h LEU 166 N -2.75 -0.15 -2.44 -3.56 3.38 -1.99 -3.52 115.31 104.28 3i0t h LEU 166 Ca -0.61 -0.35 -0.14 0.00 0.09 0.00 0.00 57.88 56.87 3i0t h LEU 166 Cb 1.34 0.04 -0.19 0.00 0.09 0.00 0.00 40.66 41.94 3i0t h LEU 166 CO 0.49 0.30 -0.46 1.41 0.09 0.00 0.00 178.44 180.27 3i0t n HIS 175 N -4.96 -0.10 -2.20 1.13 8.25 -1.26 -5.23 115.22 110.85 3i0t n HIS 175 Ca -0.09 -0.60 -0.27 0.00 -0.26 0.00 0.00 57.72 56.51 3i0t n HIS 175 Cb 0.25 0.41 0.05 0.00 1.12 0.00 0.00 29.99 31.82 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 -0.06 3.12 0.00 4.41 3.76 -1.26 -5.54 115.29 119.72 3i0t s HIS 176 Ca 0.08 0.64 0.00 0.00 -0.15 0.00 0.00 55.06 55.64 3i0t s HIS 176 Cb 0.11 -3.02 0.00 0.00 1.11 0.00 0.00 32.58 30.78 3i0t s HIS 176 CO -0.04 -1.18 0.09 1.58 -0.85 0.00 0.00 174.74 174.34