#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3isv s GLN 3 N 0.00 1.55 0.54 1.64 -0.21 -1.26 -5.08 119.66 116.83 3isv s GLN 3 Ca 0.00 -1.13 -0.13 0.00 0.02 0.00 0.00 55.36 54.13 3isv s GLN 3 Cb 0.00 -1.79 -0.06 0.00 1.00 0.00 0.00 33.01 32.16 3isv s GLN 3 CO 0.00 0.45 0.96 0.00 -2.12 0.00 0.00 175.29 174.58 3isv s ALA 4 N -0.89 3.14 -0.17 6.09 0.00 -1.17 -4.57 121.76 124.19 3isv s ALA 4 Ca 0.11 -0.03 -0.26 0.00 0.00 0.00 0.00 51.96 51.78 3isv s ALA 4 Cb -0.10 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 3isv s ALA 4 CO 0.03 -0.39 0.88 0.42 0.00 0.00 0.00 175.76 176.70 3isv s ILE 5 N -2.81 4.84 0.13 0.00 1.01 -0.28 -0.93 121.20 123.16 3isv s ILE 5 Ca 0.55 1.74 -0.16 0.00 0.00 0.00 0.00 60.65 62.78 3isv s ILE 5 Cb -0.10 -4.18 -0.07 0.00 0.01 0.00 0.00 42.46 38.11 3isv s ILE 5 CO 0.41 -0.00 0.57 -0.83 0.00 0.00 0.00 174.94 175.08 3isv s GLY 6 N 1.16 2.52 -0.05 6.18 0.00 -1.26 -1.11 107.32 114.76 3isv s GLY 6 Ca 0.40 -0.07 0.03 0.00 0.00 0.00 0.00 44.72 45.08 3isv s GLY 6 CO 0.12 0.25 -0.13 -1.36 0.00 0.00 0.00 173.10 171.98 3isv s PHE 7 N -1.39 1.37 0.01 1.90 0.08 0.08 -0.56 117.98 119.48 3isv s PHE 7 Ca 0.36 -0.42 0.06 0.00 0.12 0.00 0.00 56.93 57.05 3isv s PHE 7 Cb -0.16 -0.97 -0.02 0.00 -0.57 0.00 0.00 43.02 41.30 3isv s PHE 7 CO 0.19 -0.19 -0.20 0.96 -0.10 0.00 0.00 175.22 175.89 3isv s ILE 8 N 0.33 1.55 0.17 0.64 -4.36 -0.53 -0.41 121.20 118.58 3isv s ILE 8 Ca -0.08 -0.99 -0.19 0.00 -0.26 0.00 0.00 60.65 59.14 3isv s ILE 8 Cb -0.12 -1.32 0.04 0.00 1.25 0.00 0.00 42.46 42.31 3isv s ILE 8 CO 0.02 0.31 0.51 -0.62 0.24 0.00 0.00 174.94 175.41 3isv s ASP 9 N -0.79 -0.34 0.28 4.36 2.15 -0.53 -0.58 116.67 121.22 3isv s ASP 9 Ca 0.07 -0.29 0.26 0.00 0.43 0.00 0.00 52.55 53.02 3isv s ASP 9 Cb -0.08 0.56 0.77 0.00 -0.30 0.00 0.00 42.92 43.87 3isv s ASP 9 CO 0.00 -0.97 1.75 0.77 -0.17 0.00 0.00 175.17 176.55 3isv h SER 10 N 2.19 0.00 0.00 -0.34 4.64 -1.88 -0.12 113.55 118.04 3isv h SER 10 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3isv h SER 10 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3isv h SER 10 CO 0.40 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.97 3isv n GLY 11 N 1.00 2.90 0.01 -0.77 0.00 -1.26 -2.49 105.19 104.58 3isv n GLY 11 Ca 0.04 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.22 3isv n GLY 11 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3isv n VAL 12 N 0.00 0.02 -0.07 1.61 0.24 -1.26 -4.43 118.33 114.44 3isv n VAL 12 Ca 0.00 -0.18 0.02 0.00 -2.04 0.00 0.00 64.34 62.14 3isv n VAL 12 Cb 0.00 0.58 0.35 0.00 -1.47 0.00 0.00 33.84 33.30 3isv n VAL 12 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3isv h GLY 13 N 4.63 0.72 2.00 7.63 0.00 -1.93 -1.78 103.07 114.34 3isv h GLY 13 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 3isv h GLY 13 CO 0.00 0.29 -0.01 -1.33 0.00 0.00 0.00 176.54 175.49 3isv h GLY 14 N 0.74 0.00 0.89 4.60 0.00 -1.79 -1.73 103.07 105.79 3isv h GLY 14 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.62 3isv h GLY 14 CO -0.03 0.00 0.44 1.41 0.00 0.00 0.00 176.54 178.36 3isv h LEU 15 N 0.00 0.00 -1.16 3.11 3.38 -1.62 -0.56 115.31 118.46 3isv h LEU 15 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3isv h LEU 15 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3isv h LEU 15 CO 0.00 0.00 -0.31 0.71 0.09 0.00 0.00 178.44 178.93 3isv h THR 16 N 0.00 0.83 0.06 0.22 1.35 -1.52 -0.53 112.91 113.33 3isv h THR 16 Ca 0.19 -1.28 -0.23 0.00 -0.55 0.00 0.00 66.41 64.54 3isv h THR 16 Cb 1.07 1.78 0.02 0.00 -1.73 0.00 0.00 68.15 69.30 3isv h THR 16 CO -0.00 0.31 -0.92 0.58 -0.25 0.00 0.00 175.52 175.23 3isv h VAL 17 N 0.00 1.37 -0.98 6.82 2.07 -1.30 -3.22 116.25 121.00 3isv h VAL 17 Ca -0.00 -2.30 0.05 0.00 0.82 0.00 0.00 66.70 65.26 3isv h VAL 17 Cb 0.76 2.69 -0.06 0.00 -1.52 0.00 0.00 31.29 33.16 3isv h VAL 17 CO 0.04 0.69 0.64 0.58 0.02 0.00 0.00 177.57 179.54 3isv h VAL 18 N 0.06 1.12 -0.68 2.57 2.07 -1.24 -1.35 116.25 118.81 3isv h VAL 18 Ca -0.13 -0.41 0.09 0.00 0.82 0.00 0.00 66.70 67.07 3isv h VAL 18 Cb 1.63 -0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 3isv h VAL 18 CO 0.18 0.22 0.32 -0.09 0.02 0.00 0.00 177.57 178.22 3isv h ARG 19 N 1.19 0.55 -0.09 1.57 2.43 -1.12 0.52 114.38 119.43 3isv h ARG 19 Ca 0.41 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.39 3isv h ARG 19 Cb 0.10 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3isv h ARG 19 CO -0.15 0.36 -0.64 0.93 -1.51 0.00 0.00 179.97 178.96 3isv h GLU 20 N 0.56 0.33 -0.71 0.20 4.39 -1.30 -2.78 114.58 115.27 3isv h GLU 20 Ca 0.33 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 3isv h GLU 20 Cb 0.34 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 3isv h GLU 20 CO -0.26 0.86 0.44 0.28 -1.16 0.00 0.00 179.01 179.17 3isv h VAL 21 N 0.24 1.20 -0.71 3.13 2.07 -0.76 -0.31 116.25 121.10 3isv h VAL 21 Ca -0.01 -0.42 0.06 0.00 0.82 0.00 0.00 66.70 67.15 3isv h VAL 21 Cb 1.18 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3isv h VAL 21 CO 0.11 0.20 0.47 -0.07 0.02 0.00 0.00 177.57 178.30 3isv h LEU 22 N 0.96 0.67 -0.02 2.57 3.38 -0.77 0.17 115.31 122.28 3isv h LEU 22 Ca 0.25 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 3isv h LEU 22 Cb -0.05 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.56 3isv h LEU 22 CO -0.05 0.44 -0.38 0.11 0.09 0.00 0.00 178.44 178.65 3isv h LYS 23 N 0.77 0.29 0.00 1.13 1.57 -1.24 -3.26 116.57 115.83 3isv h LYS 23 Ca 0.30 -0.29 -0.15 0.00 -1.87 0.00 0.00 60.65 58.64 3isv h LYS 23 Cb 0.21 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3isv h LYS 23 CO -0.10 0.98 -1.44 1.04 -0.57 0.00 0.00 179.45 179.36 3isv n GLN 24 N -4.39 0.62 -3.10 3.15 6.02 -0.15 -4.36 117.38 115.17 3isv n GLN 24 Ca -0.10 0.18 -0.22 0.00 -0.01 0.00 0.00 57.00 56.86 3isv n GLN 24 Cb 0.56 -1.78 -0.04 0.00 1.02 0.00 0.00 30.24 30.00 3isv n GLN 24 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3isv n LEU 25 N -2.83 2.28 0.11 1.08 4.77 0.59 -4.97 117.00 118.03 3isv n LEU 25 Ca -0.09 -5.27 0.09 0.00 -0.03 0.00 0.00 56.01 50.71 3isv n LEU 25 Cb 0.81 0.19 0.43 0.00 -2.33 0.00 0.00 43.42 42.51 3isv n LEU 25 CO 0.43 2.30 0.77 -0.81 -1.33 0.00 0.00 177.39 178.75 3isv n PRO 26 N 0.15 0.12 0.00 3.23 -0.04 -1.23 -1.83 135.00 135.39 3isv n PRO 26 Ca 0.27 0.51 0.13 0.00 -0.04 0.00 0.00 63.50 64.37 3isv n PRO 26 Cb 0.54 -1.80 0.39 0.00 -0.04 0.00 0.00 33.50 32.59 3isv n PRO 26 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3isv n HIS 27 N -2.03 0.00 -3.65 0.54 8.25 -1.26 -4.68 115.22 112.38 3isv n HIS 27 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 3isv n HIS 27 Cb 0.10 -0.21 -0.06 0.00 1.12 0.00 0.00 29.99 30.94 3isv n HIS 27 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3isv s GLU 28 N -2.72 3.82 0.19 -0.41 0.41 -0.76 -4.42 118.70 114.80 3isv s GLU 28 Ca 0.19 0.13 -0.26 0.00 -0.41 0.00 0.00 54.97 54.63 3isv s GLU 28 Cb 0.19 -3.26 -0.08 0.00 -1.78 0.00 0.00 34.13 29.20 3isv s GLU 28 CO 0.58 0.62 0.80 -1.14 -0.49 0.00 0.00 175.26 175.63 3isv s GLN 29 N -0.70 4.59 -0.14 1.61 0.74 -1.26 -4.97 119.66 119.52 3isv s GLN 29 Ca 0.19 1.19 -0.01 0.00 0.05 0.00 0.00 55.36 56.78 3isv s GLN 29 Cb -0.14 -3.21 -0.01 0.00 1.10 0.00 0.00 33.01 30.74 3isv s GLN 29 CO 0.08 0.54 -0.11 0.08 -0.55 0.00 0.00 175.29 175.32 3isv s VAL 30 N -1.21 3.16 -0.21 1.34 1.01 -1.26 -1.13 120.40 122.10 3isv s VAL 30 Ca 0.38 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 3isv s VAL 30 Cb -0.23 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.83 3isv s VAL 30 CO 0.27 0.51 -0.13 -0.31 0.00 0.00 0.00 175.10 175.44 3isv s TYR 31 N 0.48 2.91 -0.05 5.22 2.02 -0.27 -1.43 117.35 126.23 3isv s TYR 31 Ca -0.08 -1.50 0.06 0.00 -0.37 0.00 0.00 57.07 55.18 3isv s TYR 31 Cb -0.15 -1.99 -0.01 0.00 -0.40 0.00 0.00 41.96 39.40 3isv s TYR 31 CO 0.04 -0.73 -0.24 -0.47 -1.57 0.00 0.00 175.55 172.57 3isv s TYR 32 N 1.33 2.34 -0.12 2.71 5.04 -0.40 -0.74 117.35 127.51 3isv s TYR 32 Ca 0.03 -0.67 0.00 0.00 -2.44 0.00 0.00 57.07 53.99 3isv s TYR 32 Cb -0.14 -1.54 0.02 0.00 0.35 0.00 0.00 41.96 40.65 3isv s TYR 32 CO -0.08 -0.20 -0.11 -1.17 -1.34 0.00 0.00 175.55 172.65 3isv s LEU 33 N -0.18 1.44 -0.28 6.97 2.96 0.45 -0.73 118.68 129.31 3isv s LEU 33 Ca -0.02 -0.38 -0.05 0.00 -0.22 0.00 0.00 54.13 53.46 3isv s LEU 33 Cb -0.13 -0.98 0.02 0.00 0.50 0.00 0.00 46.19 45.59 3isv s LEU 33 CO 0.03 -0.07 0.03 -0.83 -1.32 0.00 0.00 176.35 174.19 3isv s GLY 34 N 1.49 1.73 -1.47 7.98 0.00 -0.68 -1.45 107.32 114.92 3isv s GLY 34 Ca 0.02 -1.47 -0.08 0.00 0.00 0.00 0.00 44.72 43.20 3isv s GLY 34 CO -0.08 0.61 2.65 1.34 0.00 0.00 0.00 173.10 177.62 3isv n ASP 35 N 4.79 8.25 0.20 1.64 2.03 -0.06 -2.85 116.55 130.55 3isv n ASP 35 Ca -0.15 -2.86 0.14 0.00 0.52 0.00 0.00 54.79 52.44 3isv n ASP 35 Cb 0.47 -1.47 0.64 0.00 -0.72 0.00 0.00 41.12 40.05 3isv n ASP 35 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3isv h THR 36 N 2.85 0.00 0.00 5.18 1.35 -1.79 -1.78 112.91 118.72 3isv h THR 36 Ca 0.78 -0.25 -0.01 0.00 -0.55 0.00 0.00 66.41 66.37 3isv h THR 36 Cb 0.31 1.04 -0.00 0.00 -1.73 0.00 0.00 68.15 67.77 3isv h THR 36 CO 1.64 0.00 -0.07 0.00 -0.25 0.00 0.00 175.52 176.84 3isv h ALA 37 N 2.12 1.08 0.00 6.62 0.00 -1.84 -3.27 119.26 123.97 3isv h ALA 37 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3isv h ALA 37 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3isv h ALA 37 CO 0.00 0.09 0.00 0.54 0.00 0.00 0.00 179.25 179.88 3isv n ARG 38 N -3.29 0.77 -2.20 0.00 1.74 -0.69 -5.02 116.66 107.98 3isv n ARG 38 Ca -0.01 -0.87 -0.36 0.00 -0.77 0.00 0.00 57.85 55.84 3isv n ARG 38 Cb 0.27 -0.92 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 3isv n ARG 38 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3isv s PRO 40 N -3.01 4.17 0.11 0.00 0.04 -1.26 -5.05 135.00 130.00 3isv s PRO 40 Ca 0.69 1.11 0.16 0.00 0.04 0.00 0.00 61.00 63.00 3isv s PRO 40 Cb -0.28 -2.17 -0.10 0.00 0.04 0.00 0.00 34.50 31.99 3isv s PRO 40 CO 0.32 -0.08 0.96 1.88 0.04 0.00 0.00 177.00 180.12 3isv h TYR 41 N 1.76 0.00 -0.60 0.56 -1.99 -1.95 -3.40 116.97 111.35 3isv h TYR 41 Ca -0.49 0.00 0.13 0.00 2.00 0.00 0.00 58.73 60.37 3isv h TYR 41 Cb 1.18 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 39.81 3isv h TYR 41 CO 0.62 0.58 -0.06 0.78 -0.00 0.00 0.00 178.16 180.08 3isv h GLY 42 N 3.65 0.57 2.00 3.88 0.00 -1.98 0.43 103.07 111.62 3isv h GLY 42 Ca -0.13 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3isv h GLY 42 CO 0.05 -0.21 0.00 -1.05 0.00 0.00 0.00 176.54 175.33 3isv n PRO 43 N -5.33 0.05 -2.95 4.80 -0.02 -1.26 -4.74 135.00 125.54 3isv n PRO 43 Ca 0.08 0.44 -0.24 0.00 -2.02 0.00 0.00 63.50 61.76 3isv n PRO 43 Cb 0.34 -1.62 0.01 0.00 -0.02 0.00 0.00 33.50 32.21 3isv n PRO 43 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3isv s ARG 44 N -3.13 3.17 0.28 -0.52 0.52 0.14 -5.07 118.95 114.34 3isv s ARG 44 Ca 0.02 -0.34 -0.29 0.00 -0.52 0.00 0.00 55.73 54.60 3isv s ARG 44 Cb 0.05 -2.53 -0.09 0.00 0.52 0.00 0.00 34.95 32.90 3isv s ARG 44 CO 0.16 -0.24 1.10 0.34 0.02 0.00 0.00 175.30 176.68 3isv s ASP 45 N -4.18 7.27 0.23 0.23 2.15 -1.26 -4.87 116.67 116.23 3isv s ASP 45 Ca 0.47 2.26 -0.06 0.00 0.43 0.00 0.00 52.55 55.65 3isv s ASP 45 Cb -0.10 -2.63 0.39 0.00 -0.30 0.00 0.00 42.92 40.28 3isv s ASP 45 CO 0.39 -0.14 1.73 0.50 -0.17 0.00 0.00 175.17 177.47 3isv h LYS 46 N 3.87 0.39 -0.33 4.34 3.11 -1.97 -0.87 116.57 125.11 3isv h LYS 46 Ca -0.47 -0.02 0.07 0.00 -2.81 0.00 0.00 60.65 57.42 3isv h LYS 46 Cb 1.21 -0.09 -0.06 0.00 -1.00 0.00 0.00 32.23 32.29 3isv h LYS 46 CO 0.67 0.26 -0.08 0.93 -2.81 0.00 0.00 179.45 178.42 3isv h GLU 47 N 0.40 -0.00 -0.71 1.90 5.08 -1.94 -1.17 114.58 118.14 3isv h GLU 47 Ca 0.37 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.71 3isv h GLU 47 Cb 0.54 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 3isv h GLU 47 CO -0.38 -0.00 0.37 1.49 -1.00 0.00 0.00 179.01 179.48 3isv h GLU 48 N -0.00 1.01 -0.51 2.33 4.81 -1.60 -1.60 114.58 119.02 3isv h GLU 48 Ca 0.16 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3isv h GLU 48 Cb 0.24 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3isv h GLU 48 CO -0.34 0.77 0.11 0.28 -0.73 0.00 0.00 179.01 179.10 3isv h VAL 49 N 0.99 1.24 -0.53 0.32 2.07 -0.88 -0.96 116.25 118.50 3isv h VAL 49 Ca 0.25 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.91 3isv h VAL 49 Cb 0.07 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3isv h VAL 49 CO -0.04 0.32 0.33 0.00 0.02 0.00 0.00 177.57 178.20 3isv h ALA 50 N 0.99 0.68 -0.76 1.67 0.00 -1.07 0.11 119.26 120.88 3isv h ALA 50 Ca 0.16 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3isv h ALA 50 Cb 0.35 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3isv h ALA 50 CO 0.00 0.06 0.49 -0.22 0.00 0.00 0.00 179.25 179.58 3isv h LYS 51 N 0.66 0.95 -0.34 0.00 3.64 -1.02 0.45 116.57 120.91 3isv h LYS 51 Ca 0.21 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.39 3isv h LYS 51 Cb -0.01 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 3isv h LYS 51 CO -0.08 0.63 -0.35 0.74 -2.27 0.00 0.00 179.45 178.11 3isv h PHE 52 N 0.98 0.92 -0.31 1.91 0.04 -0.69 -2.18 116.94 117.61 3isv h PHE 52 Ca 0.30 -0.26 -0.12 0.00 2.80 0.00 0.00 57.97 60.69 3isv h PHE 52 Cb -0.03 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 37.90 3isv h PHE 52 CO -0.03 1.02 -0.29 1.15 -0.60 0.00 0.00 178.31 179.56 3isv h THR 53 N 0.65 1.28 -0.49 -1.55 2.02 -0.37 -2.60 112.91 111.85 3isv h THR 53 Ca 0.06 -1.41 -0.12 0.00 0.77 0.00 0.00 66.41 65.72 3isv h THR 53 Cb 0.90 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 3isv h THR 53 CO 0.08 0.46 -0.15 -0.50 0.37 0.00 0.00 175.52 175.78 3isv h TRP 54 N 0.56 1.09 0.00 3.16 4.06 -0.82 -0.30 115.95 123.69 3isv h TRP 54 Ca 0.07 -0.24 0.00 0.00 2.06 0.00 0.00 58.89 60.78 3isv h TRP 54 Cb 0.79 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 28.69 3isv h TRP 54 CO 0.03 1.05 0.00 0.39 -3.56 0.00 0.00 178.44 176.35 3isv n GLU 55 N -4.18 0.00 0.00 0.49 1.02 -0.83 -0.52 120.64 116.62 3isv n GLU 55 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3isv n GLU 55 Cb 0.42 -0.90 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 3isv n GLU 55 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3isv n THR 57 N 0.34 0.00 -0.25 2.62 -1.04 -0.12 -2.00 114.28 113.83 3isv n THR 57 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 3isv n THR 57 Cb 0.00 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 3isv n THR 57 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 3isv h ASN 58 N 0.00 1.06 -0.39 8.00 2.35 -1.06 -0.02 115.58 125.52 3isv h ASN 58 Ca 0.00 -0.23 0.01 0.00 -0.55 0.00 0.00 56.30 55.53 3isv h ASN 58 Cb 0.00 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 3isv h ASN 58 CO 0.00 1.02 0.25 0.15 -1.65 0.00 0.00 177.43 177.20 3isv h PHE 59 N 1.06 0.48 -0.08 1.19 3.57 -1.64 -1.45 116.94 120.06 3isv h PHE 59 Ca 0.22 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.54 3isv h PHE 59 Cb 0.37 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 3isv h PHE 59 CO 0.03 0.30 -0.75 -0.07 -2.23 0.00 0.00 178.31 175.59 3isv h LEU 60 N 0.52 0.55 -0.85 0.59 3.38 -1.73 -2.96 115.31 114.82 3isv h LEU 60 Ca 0.15 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.80 3isv h LEU 60 Cb -0.05 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 3isv h LEU 60 CO -0.04 1.12 0.53 0.58 0.09 0.00 0.00 178.44 180.71 3isv h VAL 61 N 0.31 1.07 0.00 1.22 2.07 -0.91 -0.63 116.25 119.38 3isv h VAL 61 Ca -0.04 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 3isv h VAL 61 Cb 1.33 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3isv h VAL 61 CO 0.13 0.18 -0.01 0.44 0.02 0.00 0.00 177.57 178.33 3isv h ASP 62 N 0.99 0.00 1.12 0.57 3.32 -1.13 -2.59 116.42 118.69 3isv h ASP 62 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 3isv h ASP 62 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3isv h ASP 62 CO -0.15 0.01 -0.20 0.54 -1.72 0.00 0.00 179.24 177.72 3isv n ARG 63 N -4.23 0.18 -0.65 3.56 5.12 -0.29 -4.99 116.66 115.37 3isv n ARG 63 Ca -0.03 0.11 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 3isv n ARG 63 Cb 0.10 -1.67 0.00 0.00 -1.16 0.00 0.00 32.46 29.73 3isv n ARG 63 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3isv n GLY 64 N 1.38 -0.88 3.30 -0.13 0.00 -0.94 -4.94 105.19 102.99 3isv n GLY 64 Ca 0.05 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 3isv n GLY 64 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3isv s ILE 65 N -0.14 1.80 -0.90 -0.61 -4.36 -1.25 -3.03 121.20 112.70 3isv s ILE 65 Ca 0.00 -1.62 0.16 0.00 -0.26 0.00 0.00 60.65 58.94 3isv s ILE 65 Cb 0.00 -1.65 0.58 0.00 1.25 0.00 0.00 42.46 42.64 3isv s ILE 65 CO 0.00 -0.07 1.50 2.29 0.24 0.00 0.00 174.94 178.89 3isv n LYS 66 N 0.96 3.35 -3.66 0.37 2.85 -0.10 -4.90 118.16 117.03 3isv n LYS 66 Ca -0.19 -2.68 -0.08 0.00 -1.05 0.00 0.00 58.31 54.32 3isv n LYS 66 Cb 0.54 -1.73 -0.08 0.00 -0.65 0.00 0.00 35.03 33.11 3isv n LYS 66 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3isv s LEU 68 N -1.83 -0.61 -0.18 -5.58 2.96 -0.29 -4.28 118.68 108.86 3isv s LEU 68 Ca 0.43 1.27 -0.04 0.00 -0.22 0.00 0.00 54.13 55.56 3isv s LEU 68 Cb 0.28 1.96 -0.02 0.00 0.50 0.00 0.00 46.19 48.91 3isv s LEU 68 CO 0.19 -0.22 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.29 3isv s VAL 69 N 1.59 3.80 -0.57 1.68 1.01 0.28 -1.47 120.40 126.71 3isv s VAL 69 Ca -0.10 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 61.34 3isv s VAL 69 Cb -0.07 -2.69 0.12 0.00 0.00 0.00 0.00 36.38 33.75 3isv s VAL 69 CO -0.17 0.46 0.58 -0.63 0.00 0.00 0.00 175.10 175.34 3isv s ILE 70 N 0.78 5.09 -0.61 2.22 1.01 0.23 -1.46 121.20 128.47 3isv s ILE 70 Ca -0.01 -1.37 -0.00 0.00 0.00 0.00 0.00 60.65 59.27 3isv s ILE 70 Cb -0.14 -4.40 0.45 0.00 0.01 0.00 0.00 42.46 38.37 3isv s ILE 70 CO 0.02 -0.96 1.88 0.00 0.00 0.00 0.00 174.94 175.88 3isv n ALA 71 N 5.57 6.12 -3.70 9.38 0.00 0.25 -3.69 120.51 134.44 3isv n ALA 71 Ca -0.11 -3.58 -0.16 0.00 0.00 0.00 0.00 53.44 49.59 3isv n ALA 71 Cb 0.41 -1.53 -0.15 0.00 0.00 0.00 0.00 19.45 18.18 3isv n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3isv h ASN 73 N 7.92 1.01 -0.21 0.00 2.35 -1.88 -1.26 115.58 123.51 3isv h ASN 73 Ca -0.25 -0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.31 3isv h ASN 73 Cb 1.12 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 3isv h ASN 73 CO 0.26 0.86 -0.10 0.74 -1.65 0.00 0.00 177.43 177.54 3isv h THR 74 N 1.10 1.30 -0.63 2.81 2.02 -1.97 -1.77 112.91 115.77 3isv h THR 74 Ca 0.27 -1.16 -0.08 0.00 0.77 0.00 0.00 66.41 66.21 3isv h THR 74 Cb 0.11 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 3isv h THR 74 CO -0.04 0.35 0.07 0.00 0.37 0.00 0.00 175.52 176.28 3isv h ALA 75 N 0.71 0.85 -0.11 6.16 0.00 -1.94 -2.07 119.26 122.85 3isv h ALA 75 Ca 0.05 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.70 3isv h ALA 75 Cb 0.59 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3isv h ALA 75 CO 0.03 0.64 -0.02 1.15 0.00 0.00 0.00 179.25 181.04 3isv h THR 76 N 0.98 0.90 -0.29 0.00 2.02 -1.09 -1.09 112.91 114.33 3isv h THR 76 Ca 0.19 -0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.29 3isv h THR 76 Cb 0.48 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3isv h THR 76 CO 0.02 0.00 -0.12 0.00 0.37 0.00 0.00 175.52 175.79 3isv h ALA 77 N 1.11 1.24 0.00 6.16 0.00 -1.29 -2.72 119.26 123.76 3isv h ALA 77 Ca 0.05 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3isv h ALA 77 Cb 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3isv h ALA 77 CO -0.11 0.49 -0.89 0.00 0.00 0.00 0.00 179.25 178.74 3isv h ALA 78 N 1.41 0.67 0.00 0.00 0.00 -0.62 -3.42 119.26 117.30 3isv h ALA 78 Ca 0.09 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3isv h ALA 78 Cb 0.49 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3isv h ALA 78 CO 0.03 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.87 3isv n ALA 79 N -2.27 0.00 -0.15 0.00 0.00 -0.49 -4.69 120.51 112.91 3isv n ALA 79 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 3isv n ALA 79 Cb 0.73 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.24 3isv n ALA 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3isv h LEU 80 N 0.00 0.01 -0.29 0.00 5.85 -1.59 -1.68 115.31 117.62 3isv h LEU 80 Ca 0.00 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3isv h LEU 80 Cb 0.00 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3isv h LEU 80 CO 0.00 0.04 0.07 0.22 -0.34 0.00 0.00 178.44 178.42 3isv h TYR 81 N 0.24 0.48 -0.69 1.25 3.20 -1.91 -0.99 116.97 118.54 3isv h TYR 81 Ca 0.24 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 3isv h TYR 81 Cb 0.31 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3isv h TYR 81 CO -0.22 0.53 0.15 0.22 -1.64 0.00 0.00 178.16 177.20 3isv h ASP 82 N 0.29 1.07 -0.24 -2.11 3.58 -1.88 -2.03 116.42 115.10 3isv h ASP 82 Ca 0.09 -0.24 -0.10 0.00 0.42 0.00 0.00 57.03 57.21 3isv h ASP 82 Cb 0.29 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 3isv h ASP 82 CO 0.00 1.03 -0.23 0.40 -2.88 0.00 0.00 179.24 177.57 3isv h ILE 83 N 1.06 1.32 -0.84 2.25 2.04 -1.13 -2.12 117.51 120.08 3isv h ILE 83 Ca 0.22 -1.38 0.02 0.00 1.00 0.00 0.00 64.86 64.71 3isv h ILE 83 Cb 0.40 1.68 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 3isv h ILE 83 CO 0.01 0.43 0.56 -0.09 0.00 0.00 0.00 178.15 179.05 3isv h ARG 84 N 0.28 1.08 -0.33 2.37 2.43 -1.10 -0.93 114.38 118.19 3isv h ARG 84 Ca 0.04 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 58.98 3isv h ARG 84 Cb 0.78 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3isv h ARG 84 CO 0.06 0.72 -0.43 1.49 -1.51 0.00 0.00 179.97 180.29 3isv h GLU 85 N 1.12 0.83 0.00 0.20 4.57 -1.25 -3.31 114.58 116.74 3isv h GLU 85 Ca 0.32 -0.46 -0.21 0.00 -1.18 0.00 0.00 59.36 57.83 3isv h GLU 85 Cb -0.09 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 3isv h GLU 85 CO -0.08 1.10 -1.16 0.87 -1.18 0.00 0.00 179.01 178.56 3isv h LYS 86 N 0.67 0.00 -6.69 1.92 1.79 -0.96 -3.46 116.57 109.84 3isv h LYS 86 Ca 0.05 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 58.02 3isv h LYS 86 Cb 1.01 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.67 3isv h LYS 86 CO 0.10 0.69 -0.03 -0.51 -1.08 0.00 0.00 179.45 178.61 3isv s LEU 87 N -6.38 3.89 -0.32 2.94 1.43 -0.39 -5.00 118.68 114.85 3isv s LEU 87 Ca -0.01 0.80 0.08 0.00 -1.03 0.00 0.00 54.13 53.97 3isv s LEU 87 Cb 0.09 -3.68 0.49 0.00 0.03 0.00 0.00 46.19 43.12 3isv s LEU 87 CO 0.81 -0.36 1.44 0.47 0.23 0.00 0.00 176.35 178.94 3isv n ASP 88 N -1.54 3.24 -4.41 2.29 8.00 -1.26 -4.89 116.55 117.98 3isv n ASP 88 Ca -0.01 -3.80 -0.26 0.00 0.71 0.00 0.00 54.79 51.43 3isv n ASP 88 Cb 0.55 -0.60 -0.11 0.00 -0.02 0.00 0.00 41.12 40.93 3isv n ASP 88 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3isv s ILE 89 N -3.62 2.27 0.38 0.53 -4.36 -1.26 -5.13 121.20 110.01 3isv s ILE 89 Ca 0.47 -2.06 -0.28 0.00 -0.26 0.00 0.00 60.65 58.52 3isv s ILE 89 Cb 0.41 -2.10 -0.11 0.00 1.25 0.00 0.00 42.46 41.92 3isv s ILE 89 CO -0.00 -0.19 1.42 -2.65 0.24 0.00 0.00 174.94 173.76 3isv n PRO 90 N 0.15 2.46 -3.94 0.37 -0.02 -1.26 -4.89 135.00 127.87 3isv n PRO 90 Ca -0.12 0.86 -0.18 0.00 -2.02 0.00 0.00 63.50 62.04 3isv n PRO 90 Cb 0.57 -2.57 -0.16 0.00 -0.02 0.00 0.00 33.50 31.32 3isv n PRO 90 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3isv s VAL 91 N -1.13 0.24 0.18 -1.45 1.01 -1.26 -1.14 120.40 116.86 3isv s VAL 91 Ca 0.55 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.64 3isv s VAL 91 Cb -0.50 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 3isv s VAL 91 CO 0.63 0.17 -0.03 0.27 0.00 0.00 0.00 175.10 176.13 3isv s ILE 92 N 1.16 0.93 0.24 2.22 -4.36 -0.54 -4.93 121.20 115.91 3isv s ILE 92 Ca -0.08 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 58.30 3isv s ILE 92 Cb -0.13 -2.10 0.01 0.00 1.25 0.00 0.00 42.46 41.48 3isv s ILE 92 CO -0.02 -0.52 0.07 0.61 0.24 0.00 0.00 174.94 175.32 3isv n GLY 93 N -0.28 3.55 0.05 6.27 0.00 -1.26 -0.60 105.19 112.92 3isv n GLY 93 Ca -0.07 -2.26 0.10 0.00 0.00 0.00 0.00 46.02 43.79 3isv n GLY 93 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3isv n VAL 94 N -0.76 0.00 -0.01 1.61 0.24 -1.24 -4.48 118.33 113.69 3isv n VAL 94 Ca -0.06 -0.03 -0.17 0.00 -2.04 0.00 0.00 64.34 62.04 3isv n VAL 94 Cb 0.29 1.01 -0.13 0.00 -1.47 0.00 0.00 33.84 33.53 3isv n VAL 94 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3isv h ILE 95 N 0.25 1.64 -0.54 1.34 2.04 -1.94 -2.12 117.51 118.17 3isv h ILE 95 Ca 0.00 -2.34 -0.07 0.00 1.00 0.00 0.00 64.86 63.45 3isv h ILE 95 Cb 0.53 3.19 -0.02 0.00 -0.74 0.00 0.00 36.82 39.77 3isv h ILE 95 CO 0.00 0.64 0.05 1.56 0.00 0.00 0.00 178.15 180.40 3isv h GLN 96 N -0.65 0.93 -0.73 2.37 1.08 -1.97 -1.89 115.11 114.26 3isv h GLN 96 Ca -0.06 -0.27 -0.00 0.00 -1.45 0.00 0.00 58.65 56.87 3isv h GLN 96 Cb 1.25 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 28.55 3isv h GLN 96 CO 0.07 0.91 0.44 -1.35 -0.95 0.00 0.00 178.83 177.95 3isv h PRO 97 N 0.81 0.98 -0.87 1.46 0.11 -1.78 -0.37 132.00 132.34 3isv h PRO 97 Ca 0.16 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3isv h PRO 97 Cb 0.46 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 31.32 3isv h PRO 97 CO 0.02 0.70 0.56 0.78 -0.21 0.00 0.00 178.00 179.84 3isv h GLY 98 N 0.99 1.23 0.92 -0.55 0.00 -1.24 -1.53 103.07 102.89 3isv h GLY 98 Ca 0.26 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 3isv h GLY 98 CO -0.05 0.46 0.05 1.76 0.00 0.00 0.00 176.54 178.77 3isv h SER 99 N 1.18 0.58 -0.84 0.19 0.02 -1.00 -1.23 113.55 112.45 3isv h SER 99 Ca 0.32 -0.27 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 3isv h SER 99 Cb -0.11 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.23 3isv h SER 99 CO -0.07 0.70 0.55 0.03 -1.14 0.00 0.00 176.83 176.90 3isv h ARG 100 N 0.44 1.05 -0.36 3.45 3.08 -0.75 -1.70 114.38 119.60 3isv h ARG 100 Ca 0.11 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 3isv h ARG 100 Cb 0.37 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3isv h ARG 100 CO 0.01 0.70 -0.13 0.00 -1.07 0.00 0.00 179.97 179.47 3isv h ALA 101 N 1.33 1.11 -0.31 0.04 0.00 -1.05 -1.84 119.26 118.54 3isv h ALA 101 Ca 0.32 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3isv h ALA 101 Cb -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3isv h ALA 101 CO -0.10 0.56 -0.11 0.00 0.00 0.00 0.00 179.25 179.60 3isv h ALA 102 N 1.28 0.43 -0.17 0.00 0.00 -0.83 -2.29 119.26 117.68 3isv h ALA 102 Ca 0.10 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3isv h ALA 102 Cb 0.56 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3isv h ALA 102 CO 0.04 0.30 -0.08 -0.07 0.00 0.00 0.00 179.25 179.43 3isv h LEU 103 N 0.39 0.24 -0.77 0.00 3.38 -1.15 -0.35 115.31 117.05 3isv h LEU 103 Ca 0.07 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3isv h LEU 103 Cb 0.62 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3isv h LEU 103 CO 0.04 0.36 -0.24 0.11 0.09 0.00 0.00 178.44 178.80 3isv h LYS 104 N 0.25 0.67 0.00 1.13 1.57 -1.19 -3.33 116.57 115.67 3isv h LYS 104 Ca 0.05 -0.27 -0.11 0.00 -1.87 0.00 0.00 60.65 58.46 3isv h LYS 104 Cb 0.31 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3isv h LYS 104 CO 0.02 0.85 -1.13 0.00 -0.57 0.00 0.00 179.45 178.62 3isv h ALA 105 N 1.15 0.63 -2.37 3.86 0.00 -0.76 -3.47 119.26 118.30 3isv h ALA 105 Ca 0.08 -0.55 -0.47 0.00 0.00 0.00 0.00 54.91 53.97 3isv h ALA 105 Cb 0.72 0.15 0.03 0.00 0.00 0.00 0.00 17.79 18.68 3isv h ALA 105 CO 0.06 0.61 0.39 -0.08 0.00 0.00 0.00 179.25 180.23 3isv s THR 106 N -3.05 3.74 0.00 0.00 -1.32 -0.22 -4.94 115.64 109.85 3isv s THR 106 Ca -0.01 1.12 0.00 0.00 -1.21 0.00 0.00 61.69 61.59 3isv s THR 106 Cb 0.09 -3.48 0.00 0.00 -1.51 0.00 0.00 72.50 67.60 3isv s THR 106 CO 0.79 -0.19 0.00 0.54 -2.21 0.00 0.00 174.62 173.55 3isv n ARG 107 N -0.83 1.13 -0.13 7.08 5.12 -1.26 -4.74 116.66 123.03 3isv n ARG 107 Ca 0.09 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.06 3isv n ARG 107 Cb 0.52 -0.99 0.12 0.00 -1.16 0.00 0.00 32.46 30.96 3isv n ARG 107 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 3isv n ASN 108 N -1.59 2.67 -2.52 0.55 0.23 -1.26 -4.99 115.26 108.35 3isv n ASN 108 Ca 0.00 -1.89 -0.18 0.00 -0.53 0.00 0.00 54.58 51.98 3isv n ASN 108 Cb 0.13 -0.17 -0.00 0.00 -2.08 0.00 0.00 39.78 37.65 3isv n ASN 108 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3isv n ASN 109 N 0.48 -5.23 -4.14 0.53 3.02 -1.26 -4.95 115.26 103.71 3isv n ASN 109 Ca 0.10 0.01 -0.34 0.00 -0.03 0.00 0.00 54.58 54.32 3isv n ASN 109 Cb 0.38 -4.36 -0.14 0.00 -0.61 0.00 0.00 39.78 35.05 3isv n ASN 109 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3isv s LYS 110 N -5.15 2.43 -0.02 3.52 1.02 -1.26 -1.20 119.74 119.07 3isv s LYS 110 Ca 0.05 -1.25 0.07 0.00 0.02 0.00 0.00 55.97 54.86 3isv s LYS 110 Cb -0.02 -3.03 -0.02 0.00 -0.52 0.00 0.00 37.83 34.24 3isv s LYS 110 CO 0.06 -0.56 -0.25 0.42 -0.92 0.00 0.00 175.35 174.10 3isv s ILE 111 N 1.21 2.17 0.04 2.17 1.01 -0.14 -1.76 121.20 125.90 3isv s ILE 111 Ca -0.06 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 59.55 3isv s ILE 111 Cb -0.19 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 3isv s ILE 111 CO -0.03 0.58 0.06 -0.83 0.00 0.00 0.00 174.94 174.72 3isv s GLY 112 N -0.62 1.99 -0.11 6.18 0.00 0.12 -0.91 107.32 113.98 3isv s GLY 112 Ca 0.10 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.87 3isv s GLY 112 CO -0.01 -0.88 -0.12 0.14 0.00 0.00 0.00 173.10 172.23 3isv s VAL 113 N -1.27 1.28 -0.13 1.40 1.01 0.80 -0.97 120.40 122.52 3isv s VAL 113 Ca 0.25 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 3isv s VAL 113 Cb -0.12 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 3isv s VAL 113 CO 0.17 0.40 0.04 -0.76 0.00 0.00 0.00 175.10 174.95 3isv s LEU 114 N 1.22 3.77 0.00 3.92 1.43 -0.18 -0.27 118.68 128.57 3isv s LEU 114 Ca -0.03 0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 53.18 3isv s LEU 114 Cb -0.14 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.19 3isv s LEU 114 CO -0.04 0.30 0.24 0.61 0.23 0.00 0.00 176.35 177.69 3isv n GLY 115 N 2.66 1.06 3.81 -3.19 0.00 -1.02 0.07 105.19 108.58 3isv n GLY 115 Ca -0.18 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.57 3isv n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3isv s THR 116 N -2.41 3.84 0.20 2.61 -4.23 -1.26 -0.85 115.64 113.54 3isv s THR 116 Ca 0.05 0.60 -0.15 0.00 -1.18 0.00 0.00 61.69 61.01 3isv s THR 116 Cb -0.01 -3.29 0.19 0.00 1.34 0.00 0.00 72.50 70.73 3isv s THR 116 CO 0.01 -0.78 1.64 0.25 -0.54 0.00 0.00 174.62 175.20 3isv h LEU 117 N -0.82 -0.55 -0.15 4.79 5.85 -1.94 -0.89 115.31 121.60 3isv h LEU 117 Ca -0.44 0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.49 3isv h LEU 117 Cb 1.22 0.36 -0.04 0.00 0.37 0.00 0.00 40.66 42.57 3isv h LEU 117 CO 0.56 -0.19 -0.07 1.23 -0.34 0.00 0.00 178.44 179.63 3isv h GLY 118 N -0.01 0.07 0.70 3.75 0.00 -1.93 0.27 103.07 105.92 3isv h GLY 118 Ca 0.26 0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.71 3isv h GLY 118 CO -0.58 -0.09 -0.03 -0.84 0.00 0.00 0.00 176.54 175.00 3isv h THR 119 N -0.05 0.85 -0.58 4.70 2.02 -1.68 -0.77 112.91 117.40 3isv h THR 119 Ca 0.08 -0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.17 3isv h THR 119 Cb 0.18 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 3isv h THR 119 CO -0.19 0.00 0.01 -0.37 0.37 0.00 0.00 175.52 175.34 3isv h VAL 120 N 0.00 1.26 -0.13 3.16 -1.51 -0.96 -2.06 116.25 116.02 3isv h VAL 120 Ca 0.07 -1.13 -0.00 0.00 -1.23 0.00 0.00 66.70 64.41 3isv h VAL 120 Cb 0.11 0.84 -0.01 0.00 -2.13 0.00 0.00 31.29 30.10 3isv h VAL 120 CO -0.15 0.41 0.06 -0.33 -1.23 0.00 0.00 177.57 176.33 3isv h GLU 121 N 0.91 0.17 0.00 5.19 5.08 -0.82 -3.44 114.58 121.67 3isv h GLU 121 Ca 0.17 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3isv h GLU 121 Cb 0.54 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3isv h GLU 121 CO 0.03 0.13 0.00 -1.13 -1.00 0.00 0.00 179.01 177.04 3isv n SER 122 N -4.50 0.00 0.00 1.42 3.41 -0.30 -5.08 113.62 108.57 3isv n SER 122 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3isv n SER 122 Cb 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3isv n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3isv n ALA 124 N -3.00 0.00 0.04 7.33 0.00 -1.26 -5.01 120.51 118.61 3isv n ALA 124 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3isv n ALA 124 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3isv n ALA 124 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3isv h TYR 125 N 0.00 -0.13 -1.01 0.00 0.05 -1.95 -2.03 116.97 111.90 3isv h TYR 125 Ca 0.00 -0.00 0.17 0.00 0.05 0.00 0.00 58.73 58.95 3isv h TYR 125 Cb 0.00 0.04 -0.10 0.00 1.01 0.00 0.00 36.73 37.68 3isv h TYR 125 CO 0.00 0.32 0.62 -1.35 -1.05 0.00 0.00 178.16 176.70 3isv h PRO 126 N -0.66 0.79 -0.57 4.88 0.11 -1.97 -0.17 132.00 134.42 3isv h PRO 126 Ca -0.01 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 3isv h PRO 126 Cb 0.52 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 3isv h PRO 126 CO 0.02 0.53 0.22 1.15 -0.21 0.00 0.00 178.00 179.71 3isv h THR 127 N 0.82 1.23 -0.09 -1.15 2.02 -1.93 -0.61 112.91 113.20 3isv h THR 127 Ca 0.56 -0.72 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 3isv h THR 127 Cb 0.81 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 3isv h THR 127 CO -0.35 0.27 0.01 0.00 0.37 0.00 0.00 175.52 175.82 3isv h ALA 128 N 1.07 0.12 0.30 6.16 0.00 -0.82 -2.13 119.26 123.96 3isv h ALA 128 Ca 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3isv h ALA 128 Cb 0.21 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3isv h ALA 128 CO -0.01 -0.22 -0.18 -0.07 0.00 0.00 0.00 179.25 178.76 3isv h LEU 129 N -0.10 -0.45 -1.44 0.00 3.38 -0.97 -2.79 115.31 112.94 3isv h LEU 129 Ca 0.03 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3isv h LEU 129 Cb 0.30 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3isv h LEU 129 CO 0.00 -0.29 -0.27 0.11 0.09 0.00 0.00 178.44 178.08 3isv h LYS 130 N -0.46 0.00 -0.63 1.13 1.57 -1.18 0.31 116.57 117.30 3isv h LYS 130 Ca -0.03 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 3isv h LYS 130 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 3isv h LYS 130 CO 0.04 0.27 0.07 0.78 -0.57 0.00 0.00 179.45 180.04 3isv h GLY 131 N 1.18 1.14 1.57 3.86 0.00 -1.18 -3.15 103.07 106.49 3isv h GLY 131 Ca -0.00 -0.77 -0.24 0.00 0.00 0.00 0.00 47.33 46.31 3isv h GLY 131 CO 0.03 0.72 -1.06 1.41 0.00 0.00 0.00 176.54 177.64 3isv h LEU 132 N 0.99 0.50 -6.67 3.11 3.38 -1.19 -3.44 115.31 111.98 3isv h LEU 132 Ca 0.19 -0.45 -0.29 0.00 0.09 0.00 0.00 57.88 57.43 3isv h LEU 132 Cb 0.46 -0.16 -0.34 0.00 0.09 0.00 0.00 40.66 40.72 3isv h LEU 132 CO 0.02 1.28 -0.60 0.21 0.09 0.00 0.00 178.44 179.44 3isv s ASN 133 N -7.12 1.19 0.56 -0.43 3.84 0.06 -5.02 114.94 108.02 3isv s ASN 133 Ca -0.05 -0.21 0.34 0.00 0.21 0.00 0.00 52.86 53.15 3isv s ASN 133 Cb 0.08 0.55 1.43 0.00 -0.55 0.00 0.00 41.25 42.76 3isv s ASN 133 CO 0.87 -0.33 2.01 0.03 -2.79 0.00 0.00 177.10 176.89 3isv h ARG 134 N 8.28 0.00 0.00 0.43 3.08 -1.82 -2.73 114.38 121.62 3isv h ARG 134 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3isv h ARG 134 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3isv h ARG 134 CO 0.29 0.01 0.00 0.54 -1.07 0.00 0.00 179.97 179.74 3isv n ARG 135 N -3.11 0.11 -2.35 0.04 1.74 -1.26 -4.89 116.66 106.94 3isv n ARG 135 Ca 0.00 0.15 -0.40 0.00 -0.77 0.00 0.00 57.85 56.83 3isv n ARG 135 Cb 0.29 -1.64 -0.03 0.00 -1.02 0.00 0.00 32.46 30.06 3isv n ARG 135 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3isv s VAL 136 N -3.07 3.22 -0.13 1.55 -7.23 -1.03 -4.94 120.40 108.78 3isv s VAL 136 Ca 0.11 1.20 -0.02 0.00 -1.81 0.00 0.00 61.98 61.45 3isv s VAL 136 Cb 0.15 -3.75 -0.03 0.00 0.56 0.00 0.00 36.38 33.31 3isv s VAL 136 CO 0.50 0.26 -0.05 -1.61 -0.31 0.00 0.00 175.10 173.90 3isv s GLU 137 N -1.68 3.37 -0.12 4.82 2.02 -0.34 -4.94 118.70 121.83 3isv s GLU 137 Ca 0.48 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 54.95 3isv s GLU 137 Cb -0.34 -2.81 0.02 0.00 0.10 0.00 0.00 34.13 31.10 3isv s GLU 137 CO 0.44 0.39 -0.15 0.08 0.02 0.00 0.00 175.26 176.04 3isv s VAL 138 N -0.04 1.51 -0.23 2.63 1.01 -1.26 -0.97 120.40 123.06 3isv s VAL 138 Ca 0.01 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 3isv s VAL 138 Cb -0.13 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 3isv s VAL 138 CO 0.03 0.44 0.05 -1.81 0.00 0.00 0.00 175.10 173.81 3isv s ASP 139 N 1.17 5.14 -0.11 3.32 1.11 -0.08 -5.01 116.67 122.22 3isv s ASP 139 Ca -0.02 -0.16 -0.01 0.00 0.18 0.00 0.00 52.55 52.54 3isv s ASP 139 Cb -0.14 -1.91 -0.03 0.00 1.07 0.00 0.00 42.92 41.92 3isv s ASP 139 CO -0.05 0.02 -0.07 -0.44 1.18 0.00 0.00 175.17 175.81 3isv s SER 140 N 1.26 4.54 -0.10 0.27 0.01 -1.26 -0.14 113.70 118.28 3isv s SER 140 Ca 0.04 -0.13 -0.02 0.00 1.31 0.00 0.00 55.95 57.16 3isv s SER 140 Cb -0.15 -1.45 0.03 0.00 0.21 0.00 0.00 66.02 64.67 3isv s SER 140 CO 0.03 0.26 0.01 -0.22 0.41 0.00 0.00 173.24 173.73 3isv s LEU 141 N -0.18 0.68 0.32 2.44 2.96 0.63 -4.94 118.68 120.59 3isv s LEU 141 Ca 0.02 -0.23 -0.28 0.00 -0.22 0.00 0.00 54.13 53.41 3isv s LEU 141 Cb -0.13 -0.46 -0.10 0.00 0.50 0.00 0.00 46.19 46.00 3isv s LEU 141 CO 0.03 -0.22 1.18 0.00 -1.32 0.00 0.00 176.35 176.02 3isv s ALA 142 N 1.96 3.39 -0.48 5.97 0.00 -1.26 -2.44 121.76 128.90 3isv s ALA 142 Ca 0.04 1.03 0.07 0.00 0.00 0.00 0.00 51.96 53.10 3isv s ALA 142 Cb -0.13 -3.39 0.24 0.00 0.00 0.00 0.00 23.12 19.85 3isv s ALA 142 CO -0.06 -0.39 0.59 0.00 0.00 0.00 0.00 175.76 175.90 3isv h PRO 144 N 4.17 0.00 0.00 0.00 0.11 -1.95 -2.36 132.00 131.98 3isv h PRO 144 Ca 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 3isv h PRO 144 Cb 0.80 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 3isv h PRO 144 CO 0.59 0.00 -0.06 0.87 -0.21 0.00 0.00 178.00 179.19 3isv h LYS 145 N 0.00 0.00 -0.67 1.05 1.57 -1.97 -3.39 116.57 113.16 3isv h LYS 145 Ca 0.13 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 3isv h LYS 145 Cb 0.52 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 3isv h LYS 145 CO -0.00 0.06 0.30 0.74 -0.57 0.00 0.00 179.45 179.98 3isv h PHE 146 N 0.00 0.98 -0.60 -1.35 -1.00 -1.84 -2.82 116.94 110.32 3isv h PHE 146 Ca -0.00 -0.06 0.04 0.00 2.81 0.00 0.00 57.97 60.77 3isv h PHE 146 Cb 1.04 -0.30 -0.05 0.00 3.61 0.00 0.00 35.95 40.25 3isv h PHE 146 CO 0.00 0.75 0.34 0.28 -1.61 0.00 0.00 178.31 178.06 3isv h VAL 147 N 0.93 1.00 -0.51 -0.55 2.07 -1.78 -1.76 116.25 115.65 3isv h VAL 147 Ca 0.23 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 3isv h VAL 147 Cb 0.15 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3isv h VAL 147 CO -0.03 0.12 0.14 0.28 0.02 0.00 0.00 177.57 178.10 3isv h SER 148 N 0.64 0.75 -0.98 0.57 0.02 -1.77 -0.79 113.55 112.00 3isv h SER 148 Ca 0.26 -0.22 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 3isv h SER 148 Cb 0.12 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 62.40 3isv h SER 148 CO -0.15 0.78 0.64 0.58 -1.14 0.00 0.00 176.83 177.53 3isv h VAL 149 N 0.69 1.16 -0.10 2.27 2.07 -1.24 -0.61 116.25 120.48 3isv h VAL 149 Ca 0.16 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 3isv h VAL 149 Cb 0.30 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 3isv h VAL 149 CO -0.00 0.22 -0.21 0.58 0.02 0.00 0.00 177.57 178.18 3isv h VAL 150 N 1.22 1.39 -0.11 2.57 2.07 -0.94 -0.41 116.25 122.04 3isv h VAL 150 Ca 0.39 -1.49 -0.11 0.00 0.82 0.00 0.00 66.70 66.31 3isv h VAL 150 Cb 0.02 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3isv h VAL 150 CO -0.13 0.43 -0.40 -0.33 0.02 0.00 0.00 177.57 177.16 3isv h GLU 151 N -0.12 0.25 0.00 1.57 5.08 -0.96 -2.17 114.58 118.23 3isv h GLU 151 Ca 0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3isv h GLU 151 Cb 0.80 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3isv h GLU 151 CO 0.05 0.61 0.00 -1.13 -1.00 0.00 0.00 179.01 177.54 3isv n SER 152 N -4.03 0.00 0.00 1.42 3.41 -0.25 -4.91 113.62 109.25 3isv n SER 152 Ca -0.01 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 3isv n SER 152 Cb 0.47 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 3isv n SER 152 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3isv n GLY 153 N 1.15 0.60 0.50 5.00 0.00 -0.82 -4.95 105.19 106.68 3isv n GLY 153 Ca 0.14 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.11 3isv n GLY 153 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3isv n GLU 154 N -2.77 1.64 0.03 1.61 1.02 -0.17 -4.54 120.64 117.45 3isv n GLU 154 Ca 0.00 -0.98 0.10 0.00 -0.02 0.00 0.00 57.16 56.26 3isv n GLU 154 Cb 0.00 -1.31 0.42 0.00 -0.02 0.00 0.00 31.44 30.53 3isv n GLU 154 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 3isv n TYR 155 N 0.24 0.19 0.85 -0.32 0.18 -1.19 -1.17 117.16 115.94 3isv n TYR 155 Ca 0.13 0.07 0.09 0.00 1.88 0.00 0.00 57.90 60.06 3isv n TYR 155 Cb 0.27 -0.61 -0.09 0.00 -0.38 0.00 0.00 39.34 38.52 3isv n TYR 155 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3isv n LYS 156 N -1.67 1.07 -2.18 -3.48 5.02 -1.26 -4.68 118.16 110.98 3isv n LYS 156 Ca 0.04 -0.08 -0.28 0.00 -2.02 0.00 0.00 58.31 55.98 3isv n LYS 156 Cb 0.24 -1.35 0.17 0.00 -0.02 0.00 0.00 35.03 34.06 3isv n LYS 156 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3isv s SER 157 N -2.66 3.33 0.28 4.39 1.04 -0.32 -4.91 113.70 114.86 3isv s SER 157 Ca 0.08 -0.07 -0.03 0.00 0.48 0.00 0.00 55.95 56.41 3isv s SER 157 Cb 0.14 -0.00 0.39 0.00 0.10 0.00 0.00 66.02 66.65 3isv s SER 157 CO 0.72 -2.57 1.91 0.00 0.98 0.00 0.00 173.24 174.28 3isv h ALA 158 N -1.34 1.32 -0.60 5.32 0.00 -1.98 -2.50 119.26 119.48 3isv h ALA 158 Ca -0.41 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.51 3isv h ALA 158 Cb 1.23 -0.31 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 3isv h ALA 158 CO 0.34 0.56 0.11 0.82 0.00 0.00 0.00 179.25 181.09 3isv h ILE 159 N 1.05 0.62 -0.54 0.00 1.08 -1.94 -2.28 117.51 115.51 3isv h ILE 159 Ca 0.27 -0.08 -0.02 0.00 -0.39 0.00 0.00 64.86 64.63 3isv h ILE 159 Cb 0.01 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.10 3isv h ILE 159 CO -0.04 0.04 0.25 0.00 -0.69 0.00 0.00 178.15 177.71 3isv h ALA 160 N 1.49 0.70 -0.55 1.87 0.00 -1.53 -0.24 119.26 120.99 3isv h ALA 160 Ca 0.31 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3isv h ALA 160 Cb 0.47 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3isv h ALA 160 CO -0.41 0.27 0.32 0.87 0.00 0.00 0.00 179.25 180.30 3isv h LYS 161 N 0.73 0.61 -0.29 0.00 1.57 -1.33 0.25 116.57 118.11 3isv h LYS 161 Ca 0.18 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 3isv h LYS 161 Cb 0.14 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3isv h LYS 161 CO -0.02 0.40 -0.09 -0.22 -0.57 0.00 0.00 179.45 178.96 3isv h LYS 162 N 0.63 0.57 -0.65 3.15 1.63 -1.27 -1.78 116.57 118.85 3isv h LYS 162 Ca 0.23 -0.22 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3isv h LYS 162 Cb 0.07 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.64 3isv h LYS 162 CO -0.12 0.78 0.39 0.28 -3.45 0.00 0.00 179.45 177.33 3isv h VAL 163 N 0.33 1.19 0.49 2.00 2.07 -0.65 -0.49 116.25 121.19 3isv h VAL 163 Ca 0.07 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3isv h VAL 163 Cb 0.58 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3isv h VAL 163 CO 0.03 0.20 -0.23 0.58 0.02 0.00 0.00 177.57 178.17 3isv h VAL 164 N 0.89 0.44 -0.60 2.57 2.07 -0.47 -1.01 116.25 120.13 3isv h VAL 164 Ca 0.23 -0.37 0.12 0.00 0.82 0.00 0.00 66.70 67.51 3isv h VAL 164 Cb -0.02 0.58 -0.11 0.00 -1.52 0.00 0.00 31.29 30.22 3isv h VAL 164 CO -0.04 0.05 -0.14 0.00 0.02 0.00 0.00 177.57 177.47 3isv h ALA 165 N -0.54 0.41 0.01 1.67 0.00 -1.32 0.29 119.26 119.79 3isv h ALA 165 Ca -0.07 0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3isv h ALA 165 Cb 0.59 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3isv h ALA 165 CO 0.11 -0.43 -0.12 1.49 0.00 0.00 0.00 179.25 180.31 3isv h GLU 166 N 0.01 -0.20 -0.15 0.00 4.81 -1.07 -2.82 114.58 115.15 3isv h GLU 166 Ca 0.29 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.40 3isv h GLU 166 Cb 0.45 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 3isv h GLU 166 CO -0.61 -0.13 -0.49 0.77 -0.73 0.00 0.00 179.01 177.82 3isv h SER 167 N -0.20 0.44 -0.53 1.04 0.02 -0.59 -3.27 113.55 110.45 3isv h SER 167 Ca 0.04 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3isv h SER 167 Cb 0.25 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3isv h SER 167 CO -0.11 0.86 0.00 0.18 -1.14 0.00 0.00 176.83 176.63 3isv n LEU 168 N -3.97 3.63 -0.23 5.07 4.77 0.04 -4.48 117.00 121.83 3isv n LEU 168 Ca -0.02 -1.74 -0.02 0.00 -0.03 0.00 0.00 56.01 54.20 3isv n LEU 168 Cb 0.55 -0.35 0.09 0.00 -2.33 0.00 0.00 43.42 41.39 3isv n LEU 168 CO 0.45 0.85 1.08 0.25 -1.33 0.00 0.00 177.39 178.68 3isv h LEU 169 N 4.21 0.53 -1.11 2.23 7.12 -1.56 -1.55 115.31 125.18 3isv h LEU 169 Ca 0.00 0.03 0.25 0.00 0.13 0.00 0.00 57.88 58.29 3isv h LEU 169 Cb 0.96 -0.07 -0.11 0.00 -0.53 0.00 0.00 40.66 40.91 3isv h LEU 169 CO 0.00 0.34 0.62 -0.65 -0.13 0.00 0.00 178.44 178.62 3isv h PRO 170 N 0.67 0.52 -0.02 5.25 0.10 -1.86 -0.86 132.00 135.79 3isv h PRO 170 Ca 0.29 -0.03 -0.02 0.00 0.10 0.00 0.00 66.00 66.34 3isv h PRO 170 Cb 0.19 -0.12 -0.00 0.00 0.10 0.00 0.00 31.00 31.16 3isv h PRO 170 CO -0.18 0.35 -0.09 -0.07 0.10 0.00 0.00 178.00 178.10 3isv h LEU 171 N 0.54 0.03 -2.78 2.35 3.38 -1.61 -1.99 115.31 115.23 3isv h LEU 171 Ca 0.63 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.59 3isv h LEU 171 Cb 1.29 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3isv h LEU 171 CO -0.42 0.12 0.04 0.11 0.09 0.00 0.00 178.44 178.39 3isv h LYS 172 N 0.03 0.00 -0.15 1.13 1.79 -1.19 -1.35 116.57 116.83 3isv h LYS 172 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3isv h LYS 172 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 3isv h LYS 172 CO 0.01 0.00 0.00 0.43 -1.08 0.00 0.00 179.45 178.81 3isv n SER 173 N -3.00 1.12 -4.66 0.86 7.64 -0.75 -4.91 113.62 109.92 3isv n SER 173 Ca -0.03 -1.74 -0.29 0.00 1.01 0.00 0.00 58.87 57.82 3isv n SER 173 Cb 0.10 -0.10 -0.10 0.00 -1.01 0.00 0.00 64.21 63.11 3isv n SER 173 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3isv s THR 174 N -1.81 1.82 -0.25 0.44 -4.23 -0.51 -5.03 115.64 106.07 3isv s THR 174 Ca 0.25 -1.98 0.13 0.00 -1.18 0.00 0.00 61.69 58.91 3isv s THR 174 Cb 0.13 -2.81 0.70 0.00 1.34 0.00 0.00 72.50 71.87 3isv s THR 174 CO 0.20 0.00 1.67 0.29 -0.54 0.00 0.00 174.62 176.24 3isv n LYS 175 N -1.05 3.82 -1.71 3.99 4.76 -1.26 -5.00 118.16 121.71 3isv n LYS 175 Ca -0.08 -3.06 -0.43 0.00 -2.87 0.00 0.00 58.31 51.86 3isv n LYS 175 Cb 0.67 -2.12 -0.02 0.00 -1.84 0.00 0.00 35.03 31.72 3isv n LYS 175 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3isv n ILE 176 N -0.04 1.10 0.24 -0.18 5.41 -1.26 -4.83 119.36 119.81 3isv n ILE 176 Ca 0.31 -0.28 0.04 0.00 1.00 0.00 0.00 62.75 63.83 3isv n ILE 176 Cb 1.17 -1.71 0.05 0.00 -0.71 0.00 0.00 39.64 38.45 3isv n ILE 176 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3isv n ASP 177 N 1.99 1.95 -3.70 4.38 5.68 -0.72 -4.86 116.55 121.27 3isv n ASP 177 Ca 0.09 -1.51 -0.11 0.00 -0.50 0.00 0.00 54.79 52.77 3isv n ASP 177 Cb 0.34 -0.04 -0.11 0.00 -1.14 0.00 0.00 41.12 40.17 3isv n ASP 177 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3isv s THR 178 N -0.78 -0.06 -0.12 2.12 2.01 -1.23 -1.12 115.64 116.46 3isv s THR 178 Ca 0.12 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.23 3isv s THR 178 Cb 0.08 -0.58 0.02 0.00 0.01 0.00 0.00 72.50 72.03 3isv s THR 178 CO 0.11 0.04 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.26 3isv s VAL 179 N 1.45 1.41 -0.18 3.82 1.01 0.08 0.14 120.40 128.11 3isv s VAL 179 Ca -0.09 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.15 3isv s VAL 179 Cb -0.09 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 3isv s VAL 179 CO -0.12 0.43 0.51 -0.63 0.00 0.00 0.00 175.10 175.28 3isv s ILE 180 N 1.29 5.13 -0.93 2.22 1.01 -0.15 0.07 121.20 129.84 3isv s ILE 180 Ca -0.01 0.95 -0.22 0.00 0.00 0.00 0.00 60.65 61.37 3isv s ILE 180 Cb -0.14 -3.83 0.07 0.00 0.01 0.00 0.00 42.46 38.57 3isv s ILE 180 CO -0.06 0.22 1.31 -0.76 0.00 0.00 0.00 174.94 175.65 3isv s LEU 181 N 1.37 3.90 -0.16 2.97 1.43 -0.65 -1.01 118.68 126.53 3isv s LEU 181 Ca 0.25 -1.43 0.04 0.00 -1.03 0.00 0.00 54.13 51.96 3isv s LEU 181 Cb -0.15 -2.52 0.34 0.00 0.03 0.00 0.00 46.19 43.90 3isv s LEU 181 CO 0.10 -1.44 1.26 0.61 0.23 0.00 0.00 176.35 177.11 3isv n GLY 182 N 6.23 2.69 2.78 -3.19 0.00 0.11 -4.47 105.19 109.34 3isv n GLY 182 Ca 0.24 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 3isv n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3isv h THR 184 N 6.24 0.00 0.00 0.00 1.35 -1.85 -1.54 112.91 117.11 3isv h THR 184 Ca -0.45 -0.19 -0.09 0.00 -0.55 0.00 0.00 66.41 65.13 3isv h THR 184 Cb 1.12 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 3isv h THR 184 CO 0.48 0.00 -0.43 0.45 -0.25 0.00 0.00 175.52 175.77 3isv h HIS 185 N 0.00 0.00 0.00 4.73 3.86 -1.94 -3.38 115.15 118.43 3isv h HIS 185 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 3isv h HIS 185 Cb 0.26 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.73 3isv h HIS 185 CO 0.00 0.43 -0.14 1.88 0.86 0.00 0.00 177.93 180.97 3isv h TYR 186 N 0.00 0.00 -0.28 2.45 0.05 -1.64 -2.85 116.97 114.71 3isv h TYR 186 Ca -0.00 0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.86 3isv h TYR 186 Cb 0.81 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.54 3isv h TYR 186 CO 0.00 0.14 0.30 -1.35 -1.05 0.00 0.00 178.16 176.20 3isv h PRO 187 N 0.00 0.00 0.00 4.88 0.11 -1.76 -0.46 132.00 134.77 3isv h PRO 187 Ca -0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3isv h PRO 187 Cb 0.49 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 3isv h PRO 187 CO 0.02 0.00 -0.15 -0.07 -0.21 0.00 0.00 178.00 177.59 3isv h LEU 188 N 0.00 0.00 -0.87 2.35 -0.00 -1.82 -1.35 115.31 113.61 3isv h LEU 188 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 3isv h LEU 188 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 3isv h LEU 188 CO -0.00 0.15 -0.08 0.18 -0.00 0.00 0.00 178.44 178.68 3isv n LEU 189 N -3.87 1.44 -0.22 1.67 4.77 -0.19 -4.63 117.00 115.97 3isv n LEU 189 Ca -0.02 -0.46 0.03 0.00 -0.03 0.00 0.00 56.01 55.53 3isv n LEU 189 Cb 0.24 -0.04 0.14 0.00 -2.33 0.00 0.00 43.42 41.43 3isv n LEU 189 CO 0.32 0.25 0.93 0.50 -1.33 0.00 0.00 177.39 178.06 3isv h LYS 190 N 2.13 0.26 -0.84 3.23 3.64 -1.17 -0.80 116.57 123.02 3isv h LYS 190 Ca 0.00 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3isv h LYS 190 Cb 0.53 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 3isv h LYS 190 CO 0.00 0.18 0.43 -1.35 -2.27 0.00 0.00 179.45 176.44 3isv h PRO 191 N 0.27 1.19 -0.52 1.90 0.11 -1.82 0.12 132.00 133.25 3isv h PRO 191 Ca 0.35 -0.16 -0.10 0.00 0.11 0.00 0.00 66.00 66.21 3isv h PRO 191 Cb 0.56 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 3isv h PRO 191 CO -0.44 0.90 -0.08 0.82 -0.21 0.00 0.00 178.00 178.98 3isv h ILE 192 N 1.19 1.26 -0.34 4.15 2.04 -1.67 -2.06 117.51 122.08 3isv h ILE 192 Ca 0.29 -1.20 -0.11 0.00 1.00 0.00 0.00 64.86 64.84 3isv h ILE 192 Cb 0.07 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3isv h ILE 192 CO -0.04 0.42 -0.20 0.40 0.00 0.00 0.00 178.15 178.73 3isv h ILE 193 N 0.86 1.29 -0.91 -0.67 2.04 -0.59 -1.33 117.51 118.20 3isv h ILE 193 Ca 0.14 -1.34 0.02 0.00 1.00 0.00 0.00 64.86 64.68 3isv h ILE 193 Cb 0.61 1.41 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 3isv h ILE 193 CO 0.04 0.44 0.60 -0.33 0.00 0.00 0.00 178.15 178.90 3isv h GLU 194 N 0.53 1.17 -0.28 2.37 5.08 -0.70 -2.61 114.58 120.14 3isv h GLU 194 Ca 0.07 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3isv h GLU 194 Cb 0.75 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3isv h GLU 194 CO 0.06 0.77 0.04 -0.91 -1.00 0.00 0.00 179.01 177.98 3isv h ASN 195 N 1.21 0.45 0.00 1.42 2.35 -1.10 0.59 115.58 120.49 3isv h ASN 195 Ca 0.34 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3isv h ASN 195 Cb -0.11 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.14 3isv h ASN 195 CO -0.08 0.60 0.00 0.33 -1.65 0.00 0.00 177.43 176.63 3isv n PHE 196 N -4.65 0.00 -3.73 1.19 7.35 -0.52 -4.92 117.46 112.18 3isv n PHE 196 Ca -0.03 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.65 3isv n PHE 196 Cb 0.21 -0.02 -0.00 0.00 0.35 0.00 0.00 39.48 40.02 3isv n PHE 196 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3isv s GLY 198 N -1.06 -0.25 0.17 7.13 0.00 0.20 -5.09 107.32 108.42 3isv s GLY 198 Ca 0.00 0.26 0.21 0.00 0.00 0.00 0.00 44.72 45.19 3isv s GLY 198 CO 0.00 0.63 1.64 1.22 0.00 0.00 0.00 173.10 176.59 3isv n ASP 199 N -0.61 0.45 -0.22 1.64 8.00 -1.26 -2.42 116.55 122.14 3isv n ASP 199 Ca -0.06 0.61 0.15 0.00 0.71 0.00 0.00 54.79 56.20 3isv n ASP 199 Cb 0.61 -0.71 0.74 0.00 -0.02 0.00 0.00 41.12 41.75 3isv n ASP 199 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3isv n GLY 200 N 0.05 -0.55 3.18 0.44 0.00 -1.26 -4.84 105.19 102.21 3isv n GLY 200 Ca 0.03 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 3isv n GLY 200 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3isv s VAL 201 N -1.99 2.27 -0.18 1.61 1.01 -1.01 -4.72 120.40 117.39 3isv s VAL 201 Ca 0.43 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 3isv s VAL 201 Cb 0.21 -1.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.65 3isv s VAL 201 CO 0.35 0.53 1.07 0.00 0.00 0.00 0.00 175.10 177.04 3isv s ALA 202 N 1.03 3.59 -0.25 5.51 0.00 -0.28 -4.86 121.76 126.51 3isv s ALA 202 Ca -0.02 0.30 -0.09 0.00 0.00 0.00 0.00 51.96 52.15 3isv s ALA 202 Cb -0.14 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 3isv s ALA 202 CO -0.06 -0.92 0.13 0.08 0.00 0.00 0.00 175.76 174.99 3isv s VAL 203 N 2.83 4.94 -0.32 0.00 1.01 -1.26 -0.75 120.40 126.85 3isv s VAL 203 Ca 0.47 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.36 3isv s VAL 203 Cb -0.17 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 3isv s VAL 203 CO 0.11 0.33 0.27 -0.63 0.00 0.00 0.00 175.10 175.18 3isv s ILE 204 N 1.33 5.26 -0.60 2.22 -1.09 0.11 -4.97 121.20 123.45 3isv s ILE 204 Ca 0.06 -0.03 -0.24 0.00 -2.23 0.00 0.00 60.65 58.22 3isv s ILE 204 Cb -0.15 -3.70 0.05 0.00 -1.58 0.00 0.00 42.46 37.08 3isv s ILE 204 CO 0.06 0.03 0.96 0.21 -1.23 0.00 0.00 174.94 174.97 3isv s ASN 205 N 1.73 6.26 0.26 3.58 3.84 -1.26 -1.64 114.94 127.71 3isv s ASN 205 Ca 0.08 -0.63 0.21 0.00 0.21 0.00 0.00 52.86 52.74 3isv s ASN 205 Cb -0.17 -2.43 0.99 0.00 -0.55 0.00 0.00 41.25 39.09 3isv s ASN 205 CO 0.11 -1.34 1.65 -1.54 -2.79 0.00 0.00 177.10 173.19 3isv n SER 206 N 7.63 0.57 -0.01 -4.21 3.41 -1.26 -2.05 113.62 117.70 3isv n SER 206 Ca -0.01 0.68 0.03 0.00 -0.26 0.00 0.00 58.87 59.32 3isv n SER 206 Cb 0.47 -0.79 0.40 0.00 -0.26 0.00 0.00 64.21 64.02 3isv n SER 206 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3isv h GLY 207 N 1.41 0.60 0.90 5.00 0.00 -1.92 -1.66 103.07 107.40 3isv h GLY 207 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 3isv h GLY 207 CO 0.00 0.24 0.05 0.83 0.00 0.00 0.00 176.54 177.65 3isv h GLU 208 N 0.57 0.14 -0.18 4.80 5.08 -1.75 -0.88 114.58 122.36 3isv h GLU 208 Ca 0.15 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 3isv h GLU 208 Cb -0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3isv h GLU 208 CO -0.03 0.21 -0.48 1.49 -1.00 0.00 0.00 179.01 179.20 3isv h GLU 209 N 0.04 0.47 -0.57 2.33 4.57 -1.72 -2.54 114.58 117.17 3isv h GLU 209 Ca 0.03 -0.27 0.01 0.00 -1.18 0.00 0.00 59.36 57.95 3isv h GLU 209 Cb 0.12 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 3isv h GLU 209 CO -0.00 0.85 0.37 1.15 -1.18 0.00 0.00 179.01 180.20 3isv h THR 210 N 0.37 1.14 -0.93 0.32 2.02 -1.15 -1.07 112.91 113.61 3isv h THR 210 Ca 0.02 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 3isv h THR 210 Cb 0.99 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 3isv h THR 210 CO 0.09 0.14 0.56 0.00 0.37 0.00 0.00 175.52 176.67 3isv h ALA 211 N 1.21 1.24 -0.62 6.16 0.00 -1.05 -0.44 119.26 125.76 3isv h ALA 211 Ca 0.21 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3isv h ALA 211 Cb -0.08 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.31 3isv h ALA 211 CO -0.05 0.65 0.08 0.77 0.00 0.00 0.00 179.25 180.70 3isv h SER 212 N 1.28 0.98 -0.40 0.00 0.02 -1.01 -1.50 113.55 112.92 3isv h SER 212 Ca 0.33 -0.24 -0.09 0.00 -0.84 0.00 0.00 61.79 60.95 3isv h SER 212 Cb -0.05 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.21 3isv h SER 212 CO -0.06 0.99 -0.09 -0.08 -1.14 0.00 0.00 176.83 176.45 3isv h GLU 213 N 0.95 0.83 -0.43 3.45 4.81 -0.69 -0.51 114.58 122.99 3isv h GLU 213 Ca 0.19 -0.27 0.03 0.00 -0.13 0.00 0.00 59.36 59.17 3isv h GLU 213 Cb 0.45 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 3isv h GLU 213 CO 0.02 0.89 0.23 0.28 -0.73 0.00 0.00 179.01 179.70 3isv h VAL 214 N 0.76 0.99 -0.43 0.32 2.07 -0.84 -0.40 116.25 118.73 3isv h VAL 214 Ca 0.13 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3isv h VAL 214 Cb 0.58 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3isv h VAL 214 CO 0.04 0.08 0.22 -1.28 0.02 0.00 0.00 177.57 176.65 3isv h SER 215 N 0.46 0.54 -0.35 0.57 0.87 -0.89 -0.02 113.55 114.73 3isv h SER 215 Ca 0.18 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3isv h SER 215 Cb 0.07 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 3isv h SER 215 CO -0.12 0.50 0.21 0.00 -0.53 0.00 0.00 176.83 176.89 3isv h ALA 216 N 1.07 0.44 -0.51 6.23 0.00 -0.90 -0.95 119.26 124.64 3isv h ALA 216 Ca 0.15 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3isv h ALA 216 Cb 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3isv h ALA 216 CO -0.02 -0.06 0.03 -0.07 0.00 0.00 0.00 179.25 179.13 3isv h LEU 217 N 0.45 0.85 -0.73 0.00 3.38 -0.83 0.13 115.31 118.56 3isv h LEU 217 Ca 0.12 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.86 3isv h LEU 217 Cb 0.01 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 3isv h LEU 217 CO -0.02 0.93 0.43 -0.07 0.09 0.00 0.00 178.44 179.80 3isv h LEU 218 N 0.74 0.67 -0.66 1.67 3.38 -0.91 -2.36 115.31 117.85 3isv h LEU 218 Ca 0.15 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 3isv h LEU 218 Cb 0.48 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3isv h LEU 218 CO 0.02 0.44 0.08 -0.78 0.09 0.00 0.00 178.44 178.29 3isv h ASP 219 N 0.81 1.08 -0.11 -0.43 3.58 -0.75 0.45 116.42 121.04 3isv h ASP 219 Ca 0.32 -0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 3isv h ASP 219 Cb 0.14 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 3isv h ASP 219 CO -0.16 1.08 0.02 0.22 -2.88 0.00 0.00 179.24 177.51 3isv h TYR 220 N 1.03 0.28 -0.72 0.28 3.20 -0.36 -1.76 116.97 118.93 3isv h TYR 220 Ca 0.20 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.06 3isv h TYR 220 Cb 0.48 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.66 3isv h TYR 220 CO 0.04 0.28 0.00 0.72 -1.64 0.00 0.00 178.16 177.55 3isv n HIS 221 N -4.39 0.96 -3.73 -3.82 8.25 -0.92 -4.96 115.22 106.60 3isv n HIS 221 Ca -0.00 -0.50 -0.25 0.00 -0.26 0.00 0.00 57.72 56.71 3isv n HIS 221 Cb 0.17 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.32 3isv n HIS 221 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3isv n ASN 222 N 1.61 -3.74 -0.40 0.41 5.15 -0.66 -4.93 115.26 112.70 3isv n ASN 222 Ca 0.24 -0.72 0.08 0.00 -0.60 0.00 0.00 54.58 53.58 3isv n ASN 222 Cb 0.62 -4.31 0.17 0.00 -0.53 0.00 0.00 39.78 35.72 3isv n ASN 222 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3isv n LEU 223 N -4.57 2.90 -4.70 1.20 4.77 0.15 -5.02 117.00 111.74 3isv n LEU 223 Ca -0.10 -2.86 -0.41 0.00 -0.03 0.00 0.00 56.01 52.61 3isv n LEU 223 Cb 0.59 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 3isv n LEU 223 CO 0.70 0.68 0.61 -0.76 -1.33 0.00 0.00 177.39 177.28 3isv s LEU 224 N -2.50 4.31 0.53 2.23 1.43 -1.24 -4.92 118.68 118.52 3isv s LEU 224 Ca 0.31 1.45 -0.18 0.00 -1.03 0.00 0.00 54.13 54.69 3isv s LEU 224 Cb 0.26 -3.39 -0.07 0.00 0.03 0.00 0.00 46.19 43.02 3isv s LEU 224 CO 0.06 -0.27 1.03 -1.81 0.23 0.00 0.00 176.35 175.59 3isv s ASP 225 N 0.98 6.20 0.00 2.29 1.01 -1.26 -5.01 116.67 120.88 3isv s ASP 225 Ca 0.46 1.81 0.21 0.00 0.71 0.00 0.00 52.55 55.74 3isv s ASP 225 Cb -0.19 -2.54 -0.15 0.00 1.01 0.00 0.00 42.92 41.05 3isv s ASP 225 CO 0.22 -0.88 0.96 0.00 0.21 0.00 0.00 175.17 175.68 3isv n ALA 226 N -1.48 4.32 -2.64 5.23 0.00 -1.26 -4.80 120.51 119.88 3isv n ALA 226 Ca 0.08 -0.61 -0.09 0.00 0.00 0.00 0.00 53.44 52.82 3isv n ALA 226 Cb 0.53 -0.77 -0.09 0.00 0.00 0.00 0.00 19.45 19.12 3isv n ALA 226 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3isv s THR 227 N -2.79 0.14 -0.97 0.00 -1.32 -1.26 -5.02 115.64 104.42 3isv s THR 227 Ca 0.12 -1.19 0.10 0.00 -1.21 0.00 0.00 61.69 59.51 3isv s THR 227 Cb 0.17 -0.98 0.24 0.00 -1.51 0.00 0.00 72.50 70.42 3isv s THR 227 CO 0.76 -0.65 1.15 -0.90 -2.21 0.00 0.00 174.62 172.76 3isv n ASP 228 N 0.66 2.66 0.08 8.08 5.75 -1.26 -4.68 116.55 127.84 3isv n ASP 228 Ca -0.18 -1.88 0.01 0.00 -0.01 0.00 0.00 54.79 52.72 3isv n ASP 228 Cb 0.59 -0.17 0.32 0.00 -1.03 0.00 0.00 41.12 40.83 3isv n ASP 228 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3isv h GLU 229 N 1.94 0.31 -0.82 0.11 5.08 -1.95 -2.51 114.58 116.74 3isv h GLU 229 Ca 0.00 -0.09 -0.58 0.00 -1.00 0.00 0.00 59.36 57.70 3isv h GLU 229 Cb 0.66 -0.03 -0.36 0.00 0.50 0.00 0.00 28.75 29.52 3isv h GLU 229 CO 0.00 0.48 -0.12 -0.85 -1.00 0.00 0.00 179.01 177.52 3isv n GLU 230 N -4.22 3.15 -2.48 2.33 0.28 -1.26 -5.03 120.64 113.41 3isv n GLU 230 Ca -0.00 -3.77 -0.42 0.00 -0.16 0.00 0.00 57.16 52.80 3isv n GLU 230 Cb 0.31 -2.26 -0.03 0.00 1.43 0.00 0.00 31.44 30.90 3isv n GLU 230 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3isv s ILE 231 N -4.60 4.25 -0.42 3.84 1.01 -0.95 -4.99 121.20 119.34 3isv s ILE 231 Ca 0.56 1.60 0.02 0.00 0.00 0.00 0.00 60.65 62.83 3isv s ILE 231 Cb 0.45 -4.03 0.14 0.00 0.01 0.00 0.00 42.46 39.03 3isv s ILE 231 CO 0.02 0.08 0.23 -1.61 0.00 0.00 0.00 174.94 173.66 3isv s GLU 232 N 1.47 1.14 0.54 2.79 8.01 -1.26 -5.10 118.70 126.29 3isv s GLU 232 Ca 0.56 -1.87 -0.20 0.00 0.01 0.00 0.00 54.97 53.47 3isv s GLU 232 Cb -0.26 -2.13 -0.05 0.00 -4.31 0.00 0.00 34.13 27.38 3isv s GLU 232 CO 0.26 -1.17 1.19 -1.01 0.01 0.00 0.00 175.26 174.55 3isv s HIS 233 N 0.50 2.56 -0.02 1.61 3.76 -1.26 -4.77 115.29 117.67 3isv s HIS 233 Ca 0.18 1.51 0.02 0.00 -0.15 0.00 0.00 55.06 56.61 3isv s HIS 233 Cb -0.24 -3.44 0.01 0.00 1.11 0.00 0.00 32.58 30.02 3isv s HIS 233 CO 0.00 -1.96 -0.05 1.03 -0.85 0.00 0.00 174.74 172.91 3isv s ARG 234 N -3.13 0.65 -0.10 1.40 0.52 -0.52 -4.89 118.95 112.89 3isv s ARG 234 Ca 0.72 -0.16 0.03 0.00 -0.52 0.00 0.00 55.73 55.81 3isv s ARG 234 Cb -0.29 -0.66 -0.01 0.00 0.52 0.00 0.00 34.95 34.51 3isv s ARG 234 CO 0.33 0.03 -0.21 -0.06 0.02 0.00 0.00 175.30 175.41 3isv s PHE 235 N 0.39 2.62 0.00 -0.53 0.08 -1.25 -1.28 117.98 118.01 3isv s PHE 235 Ca -0.05 -0.85 0.06 0.00 0.12 0.00 0.00 56.93 56.21 3isv s PHE 235 Cb -0.09 -1.73 -0.02 0.00 -0.57 0.00 0.00 43.02 40.62 3isv s PHE 235 CO -0.00 -0.31 -0.19 -0.06 -0.10 0.00 0.00 175.22 174.56 3isv s PHE 236 N 0.23 1.68 0.00 0.36 0.08 0.09 0.28 117.98 120.69 3isv s PHE 236 Ca -0.13 -0.33 -0.07 0.00 0.12 0.00 0.00 56.93 56.52 3isv s PHE 236 Cb -0.16 -1.06 0.00 0.00 -0.57 0.00 0.00 43.02 41.23 3isv s PHE 236 CO 0.07 0.00 0.13 -0.08 -0.10 0.00 0.00 175.22 175.24 3isv s THR 237 N -0.54 0.08 -0.74 0.64 -1.32 -0.16 -1.69 115.64 111.92 3isv s THR 237 Ca 0.07 -0.67 0.24 0.00 -1.21 0.00 0.00 61.69 60.12 3isv s THR 237 Cb -0.08 -0.42 0.01 0.00 -1.51 0.00 0.00 72.50 70.50 3isv s THR 237 CO -0.00 -0.37 1.29 0.35 -2.21 0.00 0.00 174.62 173.68 3isv n THR 238 N 1.52 0.21 -1.43 5.08 -2.24 -1.13 -0.94 114.28 115.35 3isv n THR 238 Ca -0.22 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3isv n THR 238 Cb 0.56 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3isv n THR 238 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3isv n GLY 239 N 1.39 2.70 3.67 3.38 0.00 -1.26 -4.38 105.19 110.70 3isv n GLY 239 Ca 0.04 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 3isv n GLY 239 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3isv s SER 240 N -0.58 6.62 0.20 1.61 0.15 -1.26 -4.89 113.70 115.56 3isv s SER 240 Ca 0.00 2.38 -0.00 0.00 0.70 0.00 0.00 55.95 59.02 3isv s SER 240 Cb 0.00 -2.54 0.15 0.00 -1.71 0.00 0.00 66.02 61.92 3isv s SER 240 CO 0.00 -0.92 1.51 0.71 1.20 0.00 0.00 173.24 175.74 3isv h THR 241 N 5.28 1.35 -0.25 6.45 1.35 -1.94 -2.57 112.91 122.58 3isv h THR 241 Ca -0.42 -1.90 -0.03 0.00 -0.55 0.00 0.00 66.41 63.51 3isv h THR 241 Cb 1.19 1.90 -0.01 0.00 -1.73 0.00 0.00 68.15 69.50 3isv h THR 241 CO 0.94 0.58 0.03 -0.61 -0.25 0.00 0.00 175.52 176.21 3isv h GLN 242 N 0.32 0.42 -0.48 4.72 5.75 -1.96 0.13 115.11 124.01 3isv h GLN 242 Ca -0.00 -0.12 -0.08 0.00 -0.15 0.00 0.00 58.65 58.30 3isv h GLN 242 Cb 1.13 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.61 3isv h GLN 242 CO 0.10 0.56 -0.04 0.82 -2.65 0.00 0.00 178.83 177.62 3isv h ILE 243 N 0.23 1.25 -0.20 2.39 2.04 -1.96 -0.76 117.51 120.50 3isv h ILE 243 Ca 0.08 -1.08 -0.04 0.00 1.00 0.00 0.00 64.86 64.82 3isv h ILE 243 Cb 0.34 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3isv h ILE 243 CO 0.01 0.38 -0.04 0.15 0.00 0.00 0.00 178.15 178.65 3isv h PHE 244 N 0.76 0.41 -0.68 1.37 3.57 -1.35 -2.85 116.94 118.18 3isv h PHE 244 Ca 0.14 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 3isv h PHE 244 Cb 0.51 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 3isv h PHE 244 CO 0.03 0.61 0.29 -0.22 -2.23 0.00 0.00 178.31 176.78 3isv h LYS 245 N 0.10 1.00 -0.67 1.11 3.64 -0.56 0.28 116.57 121.48 3isv h LYS 245 Ca 0.05 -0.17 0.06 0.00 -1.27 0.00 0.00 60.65 59.32 3isv h LYS 245 Cb 0.47 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.07 3isv h LYS 245 CO 0.02 0.82 0.37 -0.44 -2.27 0.00 0.00 179.45 177.95 3isv h ASP 246 N 0.96 0.54 -0.01 4.20 3.32 -1.03 -0.79 116.42 123.61 3isv h ASP 246 Ca 0.23 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 3isv h ASP 246 Cb 0.19 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3isv h ASP 246 CO -0.02 0.35 -0.02 0.40 -1.72 0.00 0.00 179.24 178.22 3isv h ILE 247 N 0.68 1.49 -0.88 0.35 2.04 -1.21 -3.29 117.51 116.69 3isv h ILE 247 Ca 0.30 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.66 3isv h ILE 247 Cb 0.20 2.48 -0.04 0.00 -0.74 0.00 0.00 36.82 38.72 3isv h ILE 247 CO -0.19 0.39 0.48 0.00 0.00 0.00 0.00 178.15 178.83 3isv h ALA 248 N 0.38 1.13 0.00 1.87 0.00 -0.75 -1.05 119.26 120.84 3isv h ALA 248 Ca -0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3isv h ALA 248 Cb 0.65 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3isv h ALA 248 CO 0.00 0.64 -0.19 1.57 0.00 0.00 0.00 179.25 181.28 3isv h LYS 249 N 1.24 0.00 0.00 0.00 2.10 -1.27 0.04 116.57 118.67 3isv h LYS 249 Ca 0.31 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.96 3isv h LYS 249 Cb 0.03 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.36 3isv h LYS 249 CO -0.05 0.19 -0.01 0.22 -2.00 0.00 0.00 179.45 177.80 3isv h ASP 250 N 0.00 0.00 -0.87 7.07 3.58 -1.48 -2.54 116.42 122.18 3isv h ASP 250 Ca -0.00 -0.48 0.05 0.00 0.42 0.00 0.00 57.03 57.02 3isv h ASP 250 Cb 0.66 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.66 3isv h ASP 250 CO 0.02 0.75 0.57 -0.50 -2.88 0.00 0.00 179.24 177.20 3isv h TRP 251 N -1.00 1.02 -0.02 0.28 4.06 -1.09 -2.69 115.95 116.51 3isv h TRP 251 Ca -0.00 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.97 3isv h TRP 251 Cb 0.49 -0.34 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 3isv h TRP 251 CO 0.13 0.56 -0.05 1.28 -3.56 0.00 0.00 178.44 176.80 3isv n LEU 252 N -4.47 2.51 -2.72 -4.49 4.77 -0.01 -4.98 117.00 107.61 3isv n LEU 252 Ca 0.12 -0.84 -0.04 0.00 -0.03 0.00 0.00 56.01 55.22 3isv n LEU 252 Cb 0.16 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3isv n LEU 252 CO 0.34 0.42 -0.46 0.59 -1.33 0.00 0.00 177.39 176.95 3isv n ASN 253 N 0.90 -2.90 0.00 -1.43 3.02 -0.96 -5.02 115.26 108.88 3isv n ASN 253 Ca 0.15 1.26 0.00 0.00 -0.03 0.00 0.00 54.58 55.95 3isv n ASN 253 Cb 0.52 -4.09 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 3isv n ASN 253 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3isv n PRO 255 N 1.99 0.31 -3.32 3.52 -0.04 -1.26 -5.05 135.00 131.16 3isv n PRO 255 Ca -0.28 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 62.72 3isv n PRO 255 Cb 0.43 -0.05 -0.01 0.00 -0.04 0.00 0.00 33.50 33.82 3isv n PRO 255 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3isv s ASP 256 N -0.46 6.91 -0.17 3.54 1.01 -1.26 -5.06 116.67 121.18 3isv s ASP 256 Ca 0.00 -2.92 -0.15 0.00 0.71 0.00 0.00 52.55 50.19 3isv s ASP 256 Cb 0.00 -2.22 0.05 0.00 1.01 0.00 0.00 42.92 41.76 3isv s ASP 256 CO 0.00 -0.51 0.45 0.28 0.21 0.00 0.00 175.17 175.59 3isv s THR 258 N -0.13 -0.00 -0.14 -1.27 -1.32 -1.26 -5.22 115.64 106.29 3isv s THR 258 Ca 0.22 0.01 0.01 0.00 -1.21 0.00 0.00 61.69 60.72 3isv s THR 258 Cb -0.10 -0.63 -0.01 0.00 -1.51 0.00 0.00 72.50 70.26 3isv s THR 258 CO -0.09 0.00 -0.16 -0.69 -2.21 0.00 0.00 174.62 171.47 3isv s VAL 259 N 0.35 2.67 -0.21 5.08 1.01 -1.26 -3.81 120.40 124.23 3isv s VAL 259 Ca -0.01 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 3isv s VAL 259 Cb -0.04 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 3isv s VAL 259 CO -0.01 0.53 0.14 -0.70 0.00 0.00 0.00 175.10 175.06 3isv s GLU 260 N 0.57 4.16 0.23 2.72 2.56 0.14 -4.99 118.70 124.09 3isv s GLU 260 Ca -0.10 -0.22 -0.30 0.00 0.00 0.00 0.00 54.97 54.35 3isv s GLU 260 Cb -0.16 -3.45 -0.09 0.00 2.00 0.00 0.00 34.13 32.43 3isv s GLU 260 CO 0.04 0.24 0.97 -1.58 -0.56 0.00 0.00 175.26 174.36 3isv s HIS 261 N 0.53 3.91 0.16 5.30 5.65 -1.26 -0.98 115.29 128.60 3isv s HIS 261 Ca 0.08 1.87 0.01 0.00 0.25 0.00 0.00 55.06 57.27 3isv s HIS 261 Cb -0.12 -3.04 -0.04 0.00 -1.18 0.00 0.00 32.58 28.20 3isv s HIS 261 CO -0.00 0.27 0.03 0.96 -0.65 0.00 0.00 174.74 175.34 3isv s ILE 262 N -1.02 0.48 -0.18 0.89 -4.36 -0.11 -4.88 121.20 112.02 3isv s ILE 262 Ca 0.42 -1.96 0.01 0.00 -0.26 0.00 0.00 60.65 58.86 3isv s ILE 262 Cb -0.27 -2.13 0.03 0.00 1.25 0.00 0.00 42.46 41.35 3isv s ILE 262 CO 0.33 -0.44 -0.14 -0.75 0.24 0.00 0.00 174.94 174.18 3isv s LYS 263 N -3.97 2.34 0.03 0.37 2.47 -1.26 -4.29 119.74 115.43 3isv s LYS 263 Ca 0.25 -0.75 0.07 0.00 -1.56 0.00 0.00 55.97 53.97 3isv s LYS 263 Cb 0.07 -2.35 -0.03 0.00 -1.46 0.00 0.00 37.83 34.06 3isv s LYS 263 CO 0.04 -0.32 -0.18 -0.51 0.16 0.00 0.00 175.35 174.54 3isv s LEU 264 N 1.40 2.58 0.00 5.43 1.43 -1.26 -5.06 118.68 123.20 3isv s LEU 264 Ca 0.02 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 3isv s LEU 264 Cb -0.14 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.57 3isv s LEU 264 CO -0.10 0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.36 3isv n GLY 265 N 1.68 4.20 3.25 -3.19 0.00 -1.26 -5.17 105.19 104.69 3isv n GLY 265 Ca -0.16 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3isv n GLY 265 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60