#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3isv n LYS 2 N 0.00 0.00 -4.33 0.00 5.02 -1.26 -5.15 118.16 112.44 3isv n LYS 2 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 3isv n LYS 2 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 3isv n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3isv s GLN 3 N 0.00 1.72 0.52 1.97 -0.21 -1.26 -5.11 119.66 117.29 3isv s GLN 3 Ca 0.00 -1.25 -0.07 0.00 0.02 0.00 0.00 55.36 54.06 3isv s GLN 3 Cb 0.00 -2.06 -0.04 0.00 1.00 0.00 0.00 33.01 31.92 3isv s GLN 3 CO 0.00 0.46 0.86 0.00 -2.12 0.00 0.00 175.29 174.49 3isv s ALA 4 N -1.25 3.31 -0.12 6.09 0.00 -1.26 -4.64 121.76 123.89 3isv s ALA 4 Ca 0.18 -0.40 -0.20 0.00 0.00 0.00 0.00 51.96 51.54 3isv s ALA 4 Cb -0.10 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 3isv s ALA 4 CO 0.10 -0.46 0.57 0.42 0.00 0.00 0.00 175.76 176.38 3isv s ILE 5 N -2.87 5.11 0.10 0.00 1.01 -0.28 -0.91 121.20 123.36 3isv s ILE 5 Ca 0.50 1.13 -0.17 0.00 0.00 0.00 0.00 60.65 62.11 3isv s ILE 5 Cb -0.10 -3.90 -0.07 0.00 0.01 0.00 0.00 42.46 38.40 3isv s ILE 5 CO 0.47 0.26 0.55 -0.83 0.00 0.00 0.00 174.94 175.39 3isv s GLY 6 N 0.82 2.57 -0.04 6.18 0.00 -1.26 -1.36 107.32 114.23 3isv s GLY 6 Ca 0.29 -0.05 0.02 0.00 0.00 0.00 0.00 44.72 44.98 3isv s GLY 6 CO 0.12 0.30 -0.08 -1.36 0.00 0.00 0.00 173.10 172.09 3isv s PHE 7 N -1.26 0.96 0.02 1.90 0.08 -0.25 -0.68 117.98 118.75 3isv s PHE 7 Ca 0.32 -0.27 0.06 0.00 0.12 0.00 0.00 56.93 57.16 3isv s PHE 7 Cb -0.17 -0.73 -0.02 0.00 -0.57 0.00 0.00 43.02 41.53 3isv s PHE 7 CO 0.19 -0.16 -0.17 0.96 -0.10 0.00 0.00 175.22 175.94 3isv s ILE 8 N 0.49 1.35 0.21 0.64 -4.36 -0.74 -0.62 121.20 118.18 3isv s ILE 8 Ca -0.08 -0.94 -0.22 0.00 -0.26 0.00 0.00 60.65 59.15 3isv s ILE 8 Cb -0.12 -1.17 0.04 0.00 1.25 0.00 0.00 42.46 42.47 3isv s ILE 8 CO 0.01 0.20 0.64 -0.62 0.24 0.00 0.00 174.94 175.42 3isv s ASP 9 N -0.86 -0.41 0.44 4.36 2.15 -0.63 -0.71 116.67 121.02 3isv s ASP 9 Ca 0.05 -0.31 0.30 0.00 0.43 0.00 0.00 52.55 53.03 3isv s ASP 9 Cb -0.08 0.65 1.38 0.00 -0.30 0.00 0.00 42.92 44.58 3isv s ASP 9 CO 0.01 -1.14 1.91 0.77 -0.17 0.00 0.00 175.17 176.55 3isv h SER 10 N 2.02 0.00 0.00 -0.34 4.64 -1.88 -0.08 113.55 117.90 3isv h SER 10 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3isv h SER 10 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3isv h SER 10 CO 0.32 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.89 3isv n GLY 11 N -0.33 0.70 0.03 -0.77 0.00 -1.26 -2.38 105.19 101.17 3isv n GLY 11 Ca 0.00 0.41 0.12 0.00 0.00 0.00 0.00 46.02 46.55 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 0.14 -0.27 1.61 0.24 -1.26 -4.41 118.33 114.38 3isv n VAL 12 Ca 0.00 -0.12 0.04 0.00 -2.04 0.00 0.00 64.34 62.22 3isv n VAL 12 Cb 0.00 0.12 0.18 0.00 -1.47 0.00 0.00 33.84 32.66 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 4.77 1.20 1.65 7.63 0.00 -1.91 -1.18 103.07 115.23 3isv h GLY 13 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.12 3isv h GLY 13 CO 0.00 0.00 0.17 -1.33 0.00 0.00 0.00 176.54 175.38 3isv h GLY 14 N 0.59 0.00 2.00 4.60 0.00 -1.77 -0.60 103.07 107.88 3isv h GLY 14 Ca 0.40 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.73 3isv h GLY 14 CO -0.32 0.00 -0.01 1.41 0.00 0.00 0.00 176.54 177.62 3isv h LEU 15 N 0.00 0.00 -0.94 3.11 3.38 -1.52 -1.40 115.31 117.94 3isv h LEU 15 Ca 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3isv h LEU 15 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3isv h LEU 15 CO -0.00 0.01 -0.21 0.71 0.09 0.00 0.00 178.44 179.03 3isv h THR 16 N 0.00 0.49 0.18 0.22 1.35 -1.29 -0.11 112.91 113.74 3isv h THR 16 Ca -0.00 -1.17 -0.27 0.00 -0.55 0.00 0.00 66.41 64.42 3isv h THR 16 Cb 0.13 1.83 0.02 0.00 -1.73 0.00 0.00 68.15 68.40 3isv h THR 16 CO 0.00 0.21 -1.24 0.58 -0.25 0.00 0.00 175.52 174.82 3isv h VAL 17 N 0.00 1.29 -0.97 6.82 2.07 -1.46 -3.37 116.25 120.62 3isv h VAL 17 Ca -0.00 -2.56 0.06 0.00 0.82 0.00 0.00 66.70 65.02 3isv h VAL 17 Cb 0.81 3.02 -0.07 0.00 -1.52 0.00 0.00 31.29 33.53 3isv h VAL 17 CO 0.03 0.76 0.63 0.58 0.02 0.00 0.00 177.57 179.58 3isv h VAL 18 N -0.14 1.08 -0.86 2.57 2.07 -0.93 -1.45 116.25 118.59 3isv h VAL 18 Ca -0.23 -0.39 0.11 0.00 0.82 0.00 0.00 66.70 67.01 3isv h VAL 18 Cb 1.88 -0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 31.42 3isv h VAL 18 CO 0.18 0.21 0.49 -0.09 0.02 0.00 0.00 177.57 178.37 3isv h ARG 19 N 1.14 0.75 0.01 1.57 2.43 -1.18 -0.16 114.38 118.94 3isv h ARG 19 Ca 0.42 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.35 3isv h ARG 19 Cb 0.16 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3isv h ARG 19 CO -0.17 0.50 -0.90 0.93 -1.51 0.00 0.00 179.97 178.81 3isv h GLU 20 N 0.78 0.05 -0.42 0.20 4.39 -1.46 -2.73 114.58 115.40 3isv h GLU 20 Ca 0.43 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 60.03 3isv h GLU 20 Cb 0.46 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 3isv h GLU 20 CO -0.28 0.92 0.13 0.28 -1.16 0.00 0.00 179.01 178.89 3isv h VAL 21 N 0.03 1.22 -0.74 3.13 2.07 -0.51 -0.71 116.25 120.73 3isv h VAL 21 Ca -0.02 -0.73 0.10 0.00 0.82 0.00 0.00 66.70 66.87 3isv h VAL 21 Cb 1.58 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 32.20 3isv h VAL 21 CO 0.12 0.26 0.49 -0.07 0.02 0.00 0.00 177.57 178.39 3isv h LEU 22 N 0.53 0.56 0.07 2.57 3.38 -0.94 0.11 115.31 121.59 3isv h LEU 22 Ca 0.13 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3isv h LEU 22 Cb 0.27 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3isv h LEU 22 CO -0.00 0.33 -0.03 0.50 0.09 0.00 0.00 178.44 179.32 3isv h LYS 23 N 0.62 -0.09 0.00 1.13 3.11 -1.21 -3.30 116.57 116.84 3isv h LYS 23 Ca 0.35 0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 58.12 3isv h LYS 23 Cb 0.52 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.76 3isv h LYS 23 CO -0.12 0.47 -0.74 1.96 -2.81 0.00 0.00 179.45 178.21 3isv h GLN 24 N -0.74 0.00 -2.09 1.90 4.20 -0.96 -3.37 115.11 114.05 3isv h GLN 24 Ca -0.01 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.16 3isv h GLN 24 Cb 0.60 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 27.97 3isv h GLN 24 CO 0.01 0.23 -0.98 1.28 -0.67 0.00 0.00 178.83 178.70 3isv n LEU 25 N -2.99 1.87 0.09 1.46 4.77 0.38 -4.97 117.00 117.61 3isv n LEU 25 Ca -0.01 -5.15 0.10 0.00 -0.03 0.00 0.00 56.01 50.92 3isv n LEU 25 Cb 0.67 0.25 0.42 0.00 -2.33 0.00 0.00 43.42 42.44 3isv n LEU 25 CO 0.40 2.23 0.79 -0.81 -1.33 0.00 0.00 177.39 178.67 3isv n PRO 26 N 0.47 0.12 -0.15 3.23 -0.04 -1.24 -1.71 135.00 135.69 3isv n PRO 26 Ca 0.26 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 64.26 3isv n PRO 26 Cb 0.54 -1.77 0.21 0.00 -0.04 0.00 0.00 33.50 32.45 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 -2.00 0.39 -3.53 0.54 8.25 -1.26 -4.95 115.22 112.66 3isv n HIS 27 Ca 0.02 -0.19 -0.37 0.00 -0.26 0.00 0.00 57.72 56.91 3isv n HIS 27 Cb 0.16 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 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 -1.61 3.87 0.03 -0.41 0.41 -0.69 -4.89 118.70 115.41 3isv s GLU 28 Ca 0.37 0.34 -0.26 0.00 -0.41 0.00 0.00 54.97 55.01 3isv s GLU 28 Cb 0.22 -3.16 -0.05 0.00 -1.78 0.00 0.00 34.13 29.36 3isv s GLU 28 CO 0.31 0.66 0.81 -1.14 -0.49 0.00 0.00 175.26 175.41 3isv s GLN 29 N -1.29 4.52 -0.16 1.61 0.74 -1.26 -4.98 119.66 118.84 3isv s GLN 29 Ca 0.26 1.14 -0.12 0.00 0.05 0.00 0.00 55.36 56.68 3isv s GLN 29 Cb -0.16 -3.39 -0.05 0.00 1.10 0.00 0.00 33.01 30.51 3isv s GLN 29 CO 0.14 0.20 0.24 0.08 -0.55 0.00 0.00 175.29 175.40 3isv s VAL 30 N 0.21 5.34 -0.18 1.34 1.01 -1.26 -1.13 120.40 125.73 3isv s VAL 30 Ca 0.41 0.43 -0.00 0.00 0.00 0.00 0.00 61.98 62.83 3isv s VAL 30 Cb -0.21 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.61 3isv s VAL 30 CO 0.24 0.43 -0.16 -0.31 0.00 0.00 0.00 175.10 175.30 3isv s TYR 31 N 0.25 2.81 -0.08 5.22 1.51 -0.46 -1.37 117.35 125.23 3isv s TYR 31 Ca 0.14 -1.39 0.04 0.00 -1.01 0.00 0.00 57.07 54.85 3isv s TYR 31 Cb -0.12 -1.95 0.00 0.00 -0.11 0.00 0.00 41.96 39.78 3isv s TYR 31 CO 0.03 -0.69 -0.20 -0.47 -1.11 0.00 0.00 175.55 173.10 3isv s TYR 32 N 1.23 2.15 -0.14 2.71 5.04 -0.15 -1.09 117.35 127.11 3isv s TYR 32 Ca 0.03 -0.79 0.00 0.00 -2.44 0.00 0.00 57.07 53.88 3isv s TYR 32 Cb -0.14 -1.45 0.02 0.00 0.35 0.00 0.00 41.96 40.74 3isv s TYR 32 CO -0.08 -0.31 -0.12 -1.17 -1.34 0.00 0.00 175.55 172.52 3isv s LEU 33 N 0.28 1.55 -0.18 6.97 2.96 0.21 0.05 118.68 130.51 3isv s LEU 33 Ca -0.13 -0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 53.32 3isv s LEU 33 Cb -0.16 -1.08 -0.01 0.00 0.50 0.00 0.00 46.19 45.44 3isv s LEU 33 CO 0.06 -0.07 -0.06 -0.83 -1.32 0.00 0.00 176.35 174.13 3isv s GLY 34 N 1.51 1.62 -1.14 7.98 0.00 -0.34 -1.61 107.32 115.33 3isv s GLY 34 Ca 0.04 -1.02 -0.07 0.00 0.00 0.00 0.00 44.72 43.67 3isv s GLY 34 CO -0.09 0.17 2.79 1.34 0.00 0.00 0.00 173.10 177.31 3isv n ASP 35 N 4.21 7.74 -0.34 1.64 2.03 -0.04 -2.02 116.55 129.76 3isv n ASP 35 Ca -0.18 -2.88 0.17 0.00 0.52 0.00 0.00 54.79 52.42 3isv n ASP 35 Cb 0.52 -1.42 0.39 0.00 -0.72 0.00 0.00 41.12 39.89 3isv n ASP 35 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3isv h THR 36 N 2.58 0.61 0.00 5.18 2.02 -1.77 -0.03 112.91 121.49 3isv h THR 36 Ca 0.66 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.61 3isv h THR 36 Cb 0.50 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3isv h THR 36 CO 1.35 0.11 -0.08 0.00 0.37 0.00 0.00 175.52 177.27 3isv h ALA 37 N 1.67 1.14 -0.16 6.16 0.00 -1.85 -2.58 119.26 123.65 3isv h ALA 37 Ca 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3isv h ALA 37 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3isv h ALA 37 CO -0.39 0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.50 3isv n ARG 38 N -3.38 2.00 -2.11 0.00 1.74 -0.07 -4.97 116.66 109.86 3isv n ARG 38 Ca -0.01 -1.56 -0.41 0.00 -0.77 0.00 0.00 57.85 55.09 3isv n ARG 38 Cb 0.24 -1.16 -0.03 0.00 -1.02 0.00 0.00 32.46 30.49 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 0.05 4.26 0.24 0.00 0.04 -1.26 -5.04 135.00 133.29 3isv s PRO 40 Ca 0.60 0.86 0.20 0.00 0.04 0.00 0.00 61.00 62.70 3isv s PRO 40 Cb -0.39 -2.97 0.05 0.00 0.04 0.00 0.00 34.50 31.23 3isv s PRO 40 CO 0.38 0.45 1.18 1.88 0.04 0.00 0.00 177.00 180.93 3isv h TYR 41 N 3.66 0.00 -0.78 0.56 -1.99 -1.94 -3.40 116.97 113.07 3isv h TYR 41 Ca -0.48 0.00 0.18 0.00 2.00 0.00 0.00 58.73 60.43 3isv h TYR 41 Cb 1.20 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 39.79 3isv h TYR 41 CO 0.64 0.20 -0.04 0.78 -0.00 0.00 0.00 178.16 179.74 3isv h GLY 42 N 3.87 0.81 -1.72 3.88 0.00 -1.98 -0.77 103.07 107.16 3isv h GLY 42 Ca -0.04 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3isv h GLY 42 CO 0.02 -0.31 0.00 -1.55 0.00 0.00 0.00 176.54 174.70 3isv n PRO 43 N -5.40 2.11 -2.89 4.80 -0.04 -1.26 -0.74 135.00 131.57 3isv n PRO 43 Ca 0.14 -1.72 -0.32 0.00 -0.04 0.00 0.00 63.50 61.56 3isv n PRO 43 Cb 0.48 -1.39 -0.05 0.00 -0.04 0.00 0.00 33.50 32.50 3isv n PRO 43 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3isv s ARG 44 N -1.41 4.01 0.57 0.54 0.52 -0.30 -4.99 118.95 117.89 3isv s ARG 44 Ca 0.33 0.79 -0.20 0.00 -0.52 0.00 0.00 55.73 56.13 3isv s ARG 44 Cb 0.17 -2.31 -0.04 0.00 0.52 0.00 0.00 34.95 33.29 3isv s ARG 44 CO 0.23 0.01 1.27 -0.51 0.02 0.00 0.00 175.30 176.32 3isv s ASP 45 N -2.53 5.26 0.31 0.23 1.11 -1.26 -4.81 116.67 114.98 3isv s ASP 45 Ca 0.56 2.55 0.05 0.00 0.18 0.00 0.00 52.55 55.89 3isv s ASP 45 Cb -0.10 -2.62 0.69 0.00 1.07 0.00 0.00 42.92 41.96 3isv s ASP 45 CO 0.21 -1.56 1.84 0.50 1.18 0.00 0.00 175.17 177.34 3isv h LYS 46 N 1.20 0.82 -0.65 8.23 3.64 -1.96 -0.89 116.57 126.95 3isv h LYS 46 Ca -0.51 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 58.79 3isv h LYS 46 Cb 1.30 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 3isv h LYS 46 CO 0.56 0.54 0.26 1.49 -2.27 0.00 0.00 179.45 180.04 3isv h GLU 47 N 0.84 0.97 -0.33 1.90 4.81 -1.94 -1.14 114.58 119.69 3isv h GLU 47 Ca 0.50 -0.17 -0.18 0.00 -0.13 0.00 0.00 59.36 59.38 3isv h GLU 47 Cb 0.66 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 3isv h GLU 47 CO -0.26 0.81 -0.48 1.49 -0.73 0.00 0.00 179.01 179.84 3isv h GLU 48 N 0.91 0.91 -0.97 1.92 4.81 -1.70 -1.43 114.58 119.02 3isv h GLU 48 Ca 0.22 -0.53 0.02 0.00 -0.13 0.00 0.00 59.36 58.93 3isv h GLU 48 Cb 0.20 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 3isv h GLU 48 CO -0.02 1.18 0.64 0.28 -0.73 0.00 0.00 179.01 180.36 3isv h VAL 49 N 0.71 1.23 -0.35 0.32 2.07 -1.03 -1.09 116.25 118.11 3isv h VAL 49 Ca 0.03 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 67.02 3isv h VAL 49 Cb 1.08 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3isv h VAL 49 CO 0.11 0.24 -0.12 0.00 0.02 0.00 0.00 177.57 177.81 3isv h ALA 50 N 1.37 0.49 -0.40 1.67 0.00 -1.04 -0.13 119.26 121.22 3isv h ALA 50 Ca 0.36 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3isv h ALA 50 Cb -0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3isv h ALA 50 CO -0.09 0.37 0.14 -0.22 0.00 0.00 0.00 179.25 179.45 3isv h LYS 51 N 0.49 0.28 -0.50 0.00 3.64 -0.92 -1.12 116.57 118.44 3isv h LYS 51 Ca 0.08 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 3isv h LYS 51 Cb 0.65 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 3isv h LYS 51 CO 0.04 0.19 -0.03 0.74 -2.27 0.00 0.00 179.45 178.12 3isv h PHE 52 N 0.29 0.93 -0.53 1.91 0.04 -0.97 -2.01 116.94 116.61 3isv h PHE 52 Ca 0.18 -0.15 -0.09 0.00 2.80 0.00 0.00 57.97 60.72 3isv h PHE 52 Cb 0.17 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 3isv h PHE 52 CO -0.15 0.86 -0.02 1.15 -0.60 0.00 0.00 178.31 179.55 3isv h THR 53 N 0.80 1.26 -0.43 -1.55 2.02 -0.73 -2.45 112.91 111.82 3isv h THR 53 Ca 0.15 -1.12 -0.07 0.00 0.77 0.00 0.00 66.41 66.14 3isv h THR 53 Cb 0.52 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 3isv h THR 53 CO 0.03 0.40 -0.03 -0.50 0.37 0.00 0.00 175.52 175.78 3isv h TRP 54 N 0.85 0.76 0.00 3.16 4.06 -0.98 -0.94 115.95 122.86 3isv h TRP 54 Ca 0.15 -0.11 0.00 0.00 2.06 0.00 0.00 58.89 61.00 3isv h TRP 54 Cb 0.53 -0.21 0.00 0.00 -1.00 0.00 0.00 29.16 28.49 3isv h TRP 54 CO 0.03 0.73 0.00 0.39 -3.56 0.00 0.00 178.44 176.03 3isv n GLU 55 N -4.21 0.01 0.00 0.49 1.02 -0.78 -0.83 120.64 116.34 3isv n GLU 55 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3isv n GLU 55 Cb 0.30 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 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 0.49 0.00 -0.35 2.62 -1.04 -0.36 -2.15 114.28 113.49 3isv n THR 57 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 3isv n THR 57 Cb 0.00 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 68.63 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 1.05 -0.14 8.00 2.35 -1.25 0.19 115.58 125.78 3isv h ASN 58 Ca 0.00 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3isv h ASN 58 Cb 0.00 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 3isv h ASN 58 CO 0.00 0.74 0.05 0.15 -1.65 0.00 0.00 177.43 176.72 3isv h PHE 59 N 1.23 0.09 -0.01 1.19 3.57 -1.69 -0.75 116.94 120.58 3isv h PHE 59 Ca 0.36 0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.64 3isv h PHE 59 Cb -0.07 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 38.65 3isv h PHE 59 CO -0.01 0.05 -0.95 -0.07 -2.23 0.00 0.00 178.31 175.10 3isv h LEU 60 N 0.12 0.60 -1.08 0.59 3.38 -1.77 -2.93 115.31 114.21 3isv h LEU 60 Ca 0.06 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.59 3isv h LEU 60 Cb 0.03 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3isv h LEU 60 CO -0.06 1.27 0.62 0.58 0.09 0.00 0.00 178.44 180.94 3isv h VAL 61 N 0.26 1.16 0.00 1.22 2.07 -0.49 -1.29 116.25 119.19 3isv h VAL 61 Ca -0.09 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3isv h VAL 61 Cb 1.58 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3isv h VAL 61 CO 0.17 0.22 0.00 0.44 0.02 0.00 0.00 177.57 178.41 3isv h ASP 62 N 1.18 0.00 -0.39 0.57 3.32 -0.95 -1.44 116.42 118.71 3isv h ASP 62 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3isv h ASP 62 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3isv h ASP 62 CO -0.12 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 177.94 3isv n ARG 63 N -2.72 2.06 -1.69 3.56 5.12 -0.50 -4.96 116.66 117.52 3isv n ARG 63 Ca 0.00 -1.62 0.00 0.00 -1.93 0.00 0.00 57.85 54.30 3isv n ARG 63 Cb 0.21 -1.39 0.00 0.00 -1.16 0.00 0.00 32.46 30.12 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 1.25 0.66 3.76 -0.13 0.00 -0.54 -4.90 105.19 105.29 3isv n GLY 64 Ca 0.16 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.05 2.72 -1.69 -0.61 -4.36 -1.22 -4.34 121.20 109.65 3isv s ILE 65 Ca 0.00 0.49 0.21 0.00 -0.26 0.00 0.00 60.65 61.09 3isv s ILE 65 Cb 0.00 -3.22 0.68 0.00 1.25 0.00 0.00 42.46 41.17 3isv s ILE 65 CO 0.00 -0.06 1.58 2.29 0.24 0.00 0.00 174.94 178.99 3isv n LYS 66 N -1.19 3.09 -3.75 0.37 2.85 -0.09 -4.94 118.16 114.51 3isv n LYS 66 Ca 0.11 -2.74 -0.12 0.00 -1.05 0.00 0.00 58.31 54.51 3isv n LYS 66 Cb 0.49 -1.70 -0.13 0.00 -0.65 0.00 0.00 35.03 33.05 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 -1.31 0.63 -0.22 -5.58 2.96 -0.07 -4.27 118.68 110.83 3isv s LEU 68 Ca 0.50 0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 54.92 3isv s LEU 68 Cb 0.28 0.78 0.02 0.00 0.50 0.00 0.00 46.19 47.77 3isv s LEU 68 CO 0.30 -0.14 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.40 3isv s VAL 69 N 0.87 2.71 -0.87 1.68 1.01 0.14 -1.20 120.40 124.74 3isv s VAL 69 Ca -0.06 -0.87 -0.23 0.00 0.00 0.00 0.00 61.98 60.82 3isv s VAL 69 Cb -0.07 -2.27 0.06 0.00 0.00 0.00 0.00 36.38 34.10 3isv s VAL 69 CO -0.06 0.37 1.26 -0.63 0.00 0.00 0.00 175.10 176.05 3isv s ILE 70 N 1.35 4.09 -0.58 2.22 1.01 0.21 -1.79 121.20 127.71 3isv s ILE 70 Ca 0.03 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 3isv s ILE 70 Cb -0.15 -4.91 0.26 0.00 0.01 0.00 0.00 42.46 37.68 3isv s ILE 70 CO -0.07 -1.75 2.25 0.00 0.00 0.00 0.00 174.94 175.37 3isv n ALA 71 N 8.37 6.18 -3.66 9.38 0.00 0.12 -3.54 120.51 137.36 3isv n ALA 71 Ca 0.17 -3.15 -0.06 0.00 0.00 0.00 0.00 53.44 50.39 3isv n ALA 71 Cb 0.49 -1.87 -0.08 0.00 0.00 0.00 0.00 19.45 18.00 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 7.81 0.36 -0.64 0.00 2.35 -1.85 -1.61 115.58 122.00 3isv h ASN 73 Ca -0.21 -0.43 -0.04 0.00 -0.55 0.00 0.00 56.30 55.07 3isv h ASN 73 Cb 1.13 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.37 3isv h ASN 73 CO 0.14 0.71 0.25 0.00 -1.65 0.00 0.00 177.43 176.89 3isv h THR 74 N 0.01 1.23 -0.79 2.81 1.03 -1.95 -1.30 112.91 113.96 3isv h THR 74 Ca 0.03 -0.75 -0.04 0.00 -0.01 0.00 0.00 66.41 65.64 3isv h THR 74 Cb 0.58 0.45 -0.04 0.00 -1.07 0.00 0.00 68.15 68.08 3isv h THR 74 CO 0.03 0.30 0.34 0.00 -0.01 0.00 0.00 175.52 176.17 3isv h ALA 75 N 1.31 1.03 -0.19 0.00 0.00 -1.92 -0.98 119.26 118.51 3isv h ALA 75 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3isv h ALA 75 Cb 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3isv h ALA 75 CO -0.02 0.64 0.12 1.15 0.00 0.00 0.00 179.25 181.14 3isv h THR 76 N 1.14 1.06 -0.81 0.00 2.02 -0.62 0.31 112.91 116.02 3isv h THR 76 Ca 0.27 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 3isv h THR 76 Cb 0.19 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 3isv h THR 76 CO -0.03 0.06 0.38 0.00 0.37 0.00 0.00 175.52 176.30 3isv h ALA 77 N 1.05 1.04 -0.21 6.16 0.00 -1.02 -2.26 119.26 124.03 3isv h ALA 77 Ca 0.07 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 3isv h ALA 77 Cb -0.01 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.47 3isv h ALA 77 CO -0.01 0.61 -0.67 0.00 0.00 0.00 0.00 179.25 179.18 3isv h ALA 78 N 1.20 0.39 0.00 0.00 0.00 -0.95 -3.42 119.26 116.48 3isv h ALA 78 Ca 0.28 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3isv h ALA 78 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3isv h ALA 78 CO -0.03 0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.90 3isv n ALA 79 N -2.59 0.52 -0.01 0.00 0.00 0.08 -4.78 120.51 113.73 3isv n ALA 79 Ca -0.06 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.28 3isv n ALA 79 Cb 0.69 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.12 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 -0.51 -0.59 0.00 5.85 -1.48 -0.71 115.31 117.87 3isv h LEU 80 Ca 0.00 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 3isv h LEU 80 Cb 0.03 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3isv h LEU 80 CO 0.00 -0.21 0.04 1.88 -0.34 0.00 0.00 178.44 179.81 3isv h TYR 81 N -0.19 1.10 -0.29 1.25 0.05 -1.91 0.13 116.97 117.10 3isv h TYR 81 Ca 0.10 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 3isv h TYR 81 Cb 0.34 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 3isv h TYR 81 CO -0.29 0.96 0.13 0.22 -1.05 0.00 0.00 178.16 178.14 3isv h ASP 82 N 0.91 0.38 -0.43 3.88 3.58 -1.86 -0.72 116.42 122.15 3isv h ASP 82 Ca 0.17 -0.13 -0.14 0.00 0.42 0.00 0.00 57.03 57.35 3isv h ASP 82 Cb 0.50 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 3isv h ASP 82 CO 0.02 0.41 -0.27 0.40 -2.88 0.00 0.00 179.24 176.92 3isv h ILE 83 N 0.33 1.27 -0.78 2.25 2.04 -0.90 -1.38 117.51 120.34 3isv h ILE 83 Ca 0.10 -1.43 0.07 0.00 1.00 0.00 0.00 64.86 64.60 3isv h ILE 83 Cb 0.13 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 3isv h ILE 83 CO -0.01 0.49 0.46 -0.09 0.00 0.00 0.00 178.15 178.99 3isv h ARG 84 N 0.78 0.79 -0.18 2.37 2.43 -0.69 -0.48 114.38 119.39 3isv h ARG 84 Ca 0.09 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 3isv h ARG 84 Cb 0.85 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3isv h ARG 84 CO 0.07 0.52 -0.39 1.49 -1.51 0.00 0.00 179.97 180.16 3isv h GLU 85 N 0.81 0.58 0.01 0.20 4.81 -0.93 -3.30 114.58 116.77 3isv h GLU 85 Ca 0.35 -0.39 -0.20 0.00 -0.13 0.00 0.00 59.36 58.99 3isv h GLU 85 Cb 0.23 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 3isv h GLU 85 CO -0.20 1.00 -0.96 0.87 -0.73 0.00 0.00 179.01 178.99 3isv h LYS 86 N 0.25 0.03 -7.08 1.92 1.57 -1.03 -3.46 116.57 108.76 3isv h LYS 86 Ca 0.00 -0.04 -0.47 0.00 -1.87 0.00 0.00 60.65 58.27 3isv h LYS 86 Cb 0.99 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.32 3isv h LYS 86 CO 0.09 0.97 0.31 -0.51 -0.57 0.00 0.00 179.45 179.73 3isv s LEU 87 N -6.88 3.74 0.00 2.94 1.43 -0.21 -4.98 118.68 114.73 3isv s LEU 87 Ca 0.00 1.50 0.23 0.00 -1.03 0.00 0.00 54.13 54.83 3isv s LEU 87 Cb 0.10 -4.41 0.63 0.00 0.03 0.00 0.00 46.19 42.55 3isv s LEU 87 CO 0.82 -0.49 1.50 0.47 0.23 0.00 0.00 176.35 178.88 3isv n ASP 88 N -1.28 2.31 -4.66 2.29 8.00 -1.26 -4.90 116.55 117.04 3isv n ASP 88 Ca 0.06 -1.80 -0.26 0.00 0.71 0.00 0.00 54.79 53.51 3isv n ASP 88 Cb 0.54 -0.12 -0.08 0.00 -0.02 0.00 0.00 41.12 41.45 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 -1.76 3.66 0.41 0.53 -4.36 -1.26 -5.09 121.20 113.31 3isv s ILE 89 Ca 0.34 -1.55 -0.26 0.00 -0.26 0.00 0.00 60.65 58.92 3isv s ILE 89 Cb 0.20 -2.87 -0.09 0.00 1.25 0.00 0.00 42.46 40.95 3isv s ILE 89 CO 0.29 -0.18 1.38 -2.84 0.24 0.00 0.00 174.94 173.83 3isv s PRO 90 N -3.13 3.94 -0.05 0.37 0.02 -1.26 -4.85 135.00 130.04 3isv s PRO 90 Ca 0.28 2.32 0.01 0.00 0.02 0.00 0.00 61.00 63.63 3isv s PRO 90 Cb -0.09 -2.79 0.02 0.00 0.02 0.00 0.00 34.50 31.66 3isv s PRO 90 CO 0.19 -0.58 -0.04 0.08 -0.33 0.00 0.00 177.00 176.32 3isv s VAL 91 N -1.20 0.53 0.19 3.83 1.01 -1.26 -0.89 120.40 122.61 3isv s VAL 91 Ca 0.57 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.50 3isv s VAL 91 Cb -0.42 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 3isv s VAL 91 CO 0.54 0.23 -0.06 0.27 0.00 0.00 0.00 175.10 176.08 3isv s ILE 92 N 1.08 1.21 0.27 2.22 -4.36 -0.34 -4.91 121.20 116.37 3isv s ILE 92 Ca -0.08 -2.07 0.01 0.00 -0.26 0.00 0.00 60.65 58.24 3isv s ILE 92 Cb -0.14 -2.10 0.01 0.00 1.25 0.00 0.00 42.46 41.47 3isv s ILE 92 CO -0.01 -0.53 0.06 0.61 0.24 0.00 0.00 174.94 175.31 3isv n GLY 93 N -0.33 3.57 0.17 6.27 0.00 -1.26 -0.62 105.19 112.99 3isv n GLY 93 Ca -0.08 -2.28 0.05 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.82 0.00 -0.00 1.61 0.24 -1.23 -4.60 118.33 113.53 3isv n VAL 94 Ca -0.08 -0.36 -0.17 0.00 -2.04 0.00 0.00 64.34 61.69 3isv n VAL 94 Cb 0.33 1.09 -0.10 0.00 -1.47 0.00 0.00 33.84 33.69 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 0.86 1.38 -0.30 1.34 2.04 -1.92 -2.76 117.51 118.15 3isv h ILE 95 Ca 0.00 -2.03 -0.03 0.00 1.00 0.00 0.00 64.86 63.80 3isv h ILE 95 Cb 0.32 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 3isv h ILE 95 CO 0.00 0.60 0.05 -0.61 0.00 0.00 0.00 178.15 178.19 3isv h GLN 96 N 0.05 0.49 -0.90 2.37 5.75 -1.97 -1.25 115.11 119.65 3isv h GLN 96 Ca -0.07 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.28 3isv h GLN 96 Cb 1.32 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.77 3isv h GLN 96 CO 0.13 0.59 0.49 -1.35 -2.65 0.00 0.00 178.83 176.04 3isv h PRO 97 N 0.32 1.26 -0.95 -2.39 0.11 -1.81 -0.80 132.00 127.73 3isv h PRO 97 Ca 0.09 -0.15 0.04 0.00 0.11 0.00 0.00 66.00 66.09 3isv h PRO 97 Cb 0.33 -0.25 -0.06 0.00 0.11 0.00 0.00 31.00 31.14 3isv h PRO 97 CO 0.00 0.92 0.63 0.78 -0.21 0.00 0.00 178.00 180.12 3isv h GLY 98 N 1.27 1.38 0.76 -0.55 0.00 -1.24 -1.18 103.07 103.51 3isv h GLY 98 Ca 0.32 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 3isv h GLY 98 CO -0.05 0.40 -0.10 1.76 0.00 0.00 0.00 176.54 178.55 3isv h SER 99 N 1.20 0.37 -0.71 0.19 0.02 -0.61 -1.24 113.55 112.77 3isv h SER 99 Ca 0.38 -0.43 0.05 0.00 -0.84 0.00 0.00 61.79 60.95 3isv h SER 99 Cb 0.02 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.40 3isv h SER 99 CO -0.12 0.72 0.42 0.03 -1.14 0.00 0.00 176.83 176.74 3isv h ARG 100 N 0.02 0.76 -0.40 3.45 3.08 -0.95 -2.31 114.38 118.04 3isv h ARG 100 Ca 0.03 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 3isv h ARG 100 Cb 0.59 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3isv h ARG 100 CO 0.03 0.50 -0.17 0.00 -1.07 0.00 0.00 179.97 179.26 3isv h ALA 101 N 1.35 0.96 -0.35 0.04 0.00 -0.98 -1.67 119.26 118.61 3isv h ALA 101 Ca 0.31 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3isv h ALA 101 Cb 0.15 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3isv h ALA 101 CO -0.16 0.61 -0.37 0.00 0.00 0.00 0.00 179.25 179.32 3isv h ALA 102 N 1.15 0.52 0.00 0.00 0.00 -1.09 -2.38 119.26 117.46 3isv h ALA 102 Ca 0.10 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 3isv h ALA 102 Cb 0.65 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3isv h ALA 102 CO 0.05 0.61 -0.35 -0.07 0.00 0.00 0.00 179.25 179.49 3isv h LEU 103 N 0.67 0.00 -0.79 0.00 3.38 -1.19 -1.82 115.31 115.57 3isv h LEU 103 Ca 0.05 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 3isv h LEU 103 Cb 0.96 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3isv h LEU 103 CO 0.09 0.35 -0.60 0.11 0.09 0.00 0.00 178.44 178.49 3isv h LYS 104 N 0.00 0.03 0.00 1.13 1.57 -1.09 -3.33 116.57 114.87 3isv h LYS 104 Ca -0.00 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.55 3isv h LYS 104 Cb 0.73 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.01 3isv h LYS 104 CO 0.05 0.62 -1.52 0.00 -0.57 0.00 0.00 179.45 178.02 3isv n ALA 105 N -2.43 1.77 -1.77 3.86 0.00 -0.91 -4.91 120.51 116.12 3isv n ALA 105 Ca -0.01 -0.62 -0.40 0.00 0.00 0.00 0.00 53.44 52.41 3isv n ALA 105 Cb 0.60 -0.92 -0.02 0.00 0.00 0.00 0.00 19.45 19.10 3isv n ALA 105 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3isv s THR 106 N -2.81 2.90 -0.15 0.00 -1.32 -0.72 -4.94 115.64 108.61 3isv s THR 106 Ca -0.04 0.87 0.14 0.00 -1.21 0.00 0.00 61.69 61.45 3isv s THR 106 Cb 0.08 -3.53 -0.20 0.00 -1.51 0.00 0.00 72.50 67.34 3isv s THR 106 CO 0.82 0.17 0.07 0.54 -2.21 0.00 0.00 174.62 174.01 3isv n ARG 107 N 0.62 1.39 -0.08 7.08 3.00 -1.26 -4.66 116.66 122.75 3isv n ARG 107 Ca 0.01 -0.02 0.05 0.00 -0.01 0.00 0.00 57.85 57.88 3isv n ARG 107 Cb 0.43 -1.40 0.09 0.00 0.00 0.00 0.00 32.46 31.58 3isv n ARG 107 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3isv n ASN 108 N -2.56 2.32 -1.37 0.55 0.23 -1.26 -4.99 115.26 108.18 3isv n ASN 108 Ca -0.24 -1.71 -0.16 0.00 -0.53 0.00 0.00 54.58 51.94 3isv n ASN 108 Cb 0.98 -0.10 -0.05 0.00 -2.08 0.00 0.00 39.78 38.53 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 0.46 -4.81 -4.15 0.53 3.02 -1.26 -4.94 115.26 104.11 3isv n ASN 109 Ca 0.08 0.26 -0.36 0.00 -0.03 0.00 0.00 54.58 54.53 3isv n ASN 109 Cb 0.33 -3.76 -0.12 0.00 -0.61 0.00 0.00 39.78 35.61 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 -3.77 2.19 -0.09 3.52 1.02 -1.26 -0.60 119.74 120.74 3isv s LYS 110 Ca 0.00 -1.59 0.00 0.00 0.02 0.00 0.00 55.97 54.40 3isv s LYS 110 Cb 0.00 -3.45 -0.03 0.00 -0.52 0.00 0.00 37.83 33.83 3isv s LYS 110 CO 0.00 -0.90 -0.08 0.42 -0.92 0.00 0.00 175.35 173.87 3isv s ILE 111 N 1.20 3.53 -0.13 2.17 1.01 -0.07 -1.79 121.20 127.12 3isv s ILE 111 Ca 0.03 -0.53 -0.06 0.00 0.00 0.00 0.00 60.65 60.10 3isv s ILE 111 Cb -0.22 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 3isv s ILE 111 CO -0.03 0.56 0.10 -0.83 0.00 0.00 0.00 174.94 174.75 3isv s GLY 112 N -0.38 2.05 -0.12 6.18 0.00 -0.08 -1.54 107.32 113.43 3isv s GLY 112 Ca 0.05 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.11 3isv s GLY 112 CO 0.02 -0.33 -0.22 0.14 0.00 0.00 0.00 173.10 172.71 3isv s VAL 113 N -0.71 2.02 -0.19 1.40 1.01 0.14 -0.79 120.40 123.28 3isv s VAL 113 Ca 0.13 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 3isv s VAL 113 Cb -0.12 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3isv s VAL 113 CO 0.03 0.55 0.05 -0.76 0.00 0.00 0.00 175.10 174.97 3isv s LEU 114 N 0.61 3.73 0.00 3.92 1.43 -0.90 -0.26 118.68 127.22 3isv s LEU 114 Ca -0.12 0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 52.99 3isv s LEU 114 Cb -0.17 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.12 3isv s LEU 114 CO 0.03 0.15 0.14 0.61 0.23 0.00 0.00 176.35 177.51 3isv n GLY 115 N 3.67 1.79 3.89 -3.19 0.00 -0.55 -0.16 105.19 110.64 3isv n GLY 115 Ca -0.17 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.83 2.79 0.20 2.61 -4.23 -1.26 -0.63 115.64 112.30 3isv s THR 116 Ca 0.03 0.26 -0.10 0.00 -1.18 0.00 0.00 61.69 60.69 3isv s THR 116 Cb -0.01 -3.25 0.13 0.00 1.34 0.00 0.00 72.50 70.71 3isv s THR 116 CO 0.02 -0.34 1.75 -0.07 -0.54 0.00 0.00 174.62 175.45 3isv h LEU 117 N -0.84 0.25 -0.42 4.79 3.38 -1.94 -0.94 115.31 119.59 3isv h LEU 117 Ca -0.45 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 3isv h LEU 117 Cb 1.29 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 3isv h LEU 117 CO 0.65 0.16 0.11 1.23 0.09 0.00 0.00 178.44 180.68 3isv h GLY 118 N 0.43 0.72 0.96 0.83 0.00 -1.27 0.43 103.07 105.17 3isv h GLY 118 Ca 0.29 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 3isv h GLY 118 CO -0.27 0.41 0.20 -0.84 0.00 0.00 0.00 176.54 176.05 3isv h THR 119 N 0.54 1.19 -0.42 4.70 2.02 -1.74 -1.29 112.91 117.91 3isv h THR 119 Ca 0.13 -0.56 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 3isv h THR 119 Cb 0.30 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3isv h THR 119 CO -0.00 0.21 0.19 0.58 0.37 0.00 0.00 175.52 176.87 3isv h VAL 120 N 0.58 1.19 -0.66 3.16 2.07 -1.05 -2.75 116.25 118.79 3isv h VAL 120 Ca 0.15 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 3isv h VAL 120 Cb 0.15 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3isv h VAL 120 CO -0.02 0.20 0.26 -0.08 0.02 0.00 0.00 177.57 177.96 3isv h GLU 121 N 0.54 0.97 0.00 1.57 4.22 -0.73 -3.44 114.58 117.71 3isv h GLU 121 Ca 0.14 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.43 3isv h GLU 121 Cb 0.14 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3isv h GLU 121 CO -0.02 0.79 0.00 -1.13 -2.18 0.00 0.00 179.01 176.47 3isv n SER 122 N -4.31 0.00 0.00 1.04 3.41 -0.50 -5.09 113.62 108.17 3isv n SER 122 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 3isv n SER 122 Cb 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 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 0.11 7.33 0.00 -1.25 -5.00 120.51 118.69 3isv n ALA 124 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3isv n ALA 124 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.27 -0.93 0.00 -1.99 -1.95 -0.42 116.97 111.41 3isv h TYR 125 Ca 0.00 -0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.78 3isv h TYR 125 Cb 0.00 0.09 -0.06 0.00 2.00 0.00 0.00 36.73 38.76 3isv h TYR 125 CO 0.00 0.06 0.61 -1.35 -0.00 0.00 0.00 178.16 177.47 3isv h PRO 126 N -0.63 1.07 -0.34 4.88 0.11 -1.96 0.11 132.00 135.24 3isv h PRO 126 Ca -0.03 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 3isv h PRO 126 Cb 0.45 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 3isv h PRO 126 CO 0.05 0.71 0.17 1.15 -0.21 0.00 0.00 178.00 179.87 3isv h THR 127 N 1.11 1.15 -0.25 -1.15 2.02 -1.94 -1.15 112.91 112.69 3isv h THR 127 Ca 0.39 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 3isv h THR 127 Cb 0.12 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3isv h THR 127 CO -0.14 0.16 0.03 0.00 0.37 0.00 0.00 175.52 175.94 3isv h ALA 128 N 1.03 0.34 0.11 6.16 0.00 -0.44 -1.57 119.26 124.89 3isv h ALA 128 Ca 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3isv h ALA 128 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3isv h ALA 128 CO -0.02 0.04 -0.05 -0.07 0.00 0.00 0.00 179.25 179.15 3isv h LEU 129 N 0.23 -0.12 -1.51 0.00 3.38 -0.77 -2.49 115.31 114.02 3isv h LEU 129 Ca 0.08 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3isv h LEU 129 Cb 0.35 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3isv h LEU 129 CO 0.01 -0.08 -0.14 0.11 0.09 0.00 0.00 178.44 178.42 3isv h LYS 130 N -0.15 0.00 0.00 1.13 1.57 -1.25 -0.95 116.57 116.91 3isv h LYS 130 Ca -0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 3isv h LYS 130 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3isv h LYS 130 CO 0.02 0.14 -0.28 0.78 -0.57 0.00 0.00 179.45 179.55 3isv h GLY 131 N 1.60 0.00 0.65 3.86 0.00 -0.86 -3.05 103.07 105.26 3isv h GLY 131 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 3isv h GLY 131 CO 0.02 0.00 -1.96 1.04 0.00 0.00 0.00 176.54 175.64 3isv n LEU 132 N -3.96 1.68 -3.31 3.11 4.77 -0.89 -4.86 117.00 113.53 3isv n LEU 132 Ca -0.02 0.24 -0.09 0.00 -0.03 0.00 0.00 56.01 56.12 3isv n LEU 132 Cb 0.35 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 3isv n LEU 132 CO 0.36 0.63 -0.06 0.21 -1.33 0.00 0.00 177.39 177.21 3isv s ASN 133 N -6.44 0.30 0.03 -1.43 3.84 -0.41 -5.02 114.94 105.80 3isv s ASN 133 Ca -0.15 -0.16 0.13 0.00 0.21 0.00 0.00 52.86 52.89 3isv s ASN 133 Cb 0.07 1.13 0.58 0.00 -0.55 0.00 0.00 41.25 42.48 3isv s ASN 133 CO 0.78 -0.34 1.43 -2.11 -2.79 0.00 0.00 177.10 174.07 3isv n ARG 134 N 5.36 0.02 0.00 0.43 1.85 -1.16 -1.74 116.66 121.43 3isv n ARG 134 Ca -0.01 0.31 0.13 0.00 -1.00 0.00 0.00 57.85 57.28 3isv n ARG 134 Cb 0.50 -1.54 0.33 0.00 -1.05 0.00 0.00 32.46 30.69 3isv n ARG 134 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3isv n ARG 135 N -1.58 1.35 -2.13 2.89 1.74 -1.26 -4.93 116.66 112.73 3isv n ARG 135 Ca 0.03 -0.91 -0.38 0.00 -0.77 0.00 0.00 57.85 55.81 3isv n ARG 135 Cb 0.15 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3isv n ARG 135 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3isv s VAL 136 N -2.28 2.81 -0.18 1.55 0.11 -0.71 -4.97 120.40 116.74 3isv s VAL 136 Ca 0.28 0.67 -0.03 0.00 -2.93 0.00 0.00 61.98 59.97 3isv s VAL 136 Cb 0.20 -3.37 -0.02 0.00 -1.53 0.00 0.00 36.38 31.66 3isv s VAL 136 CO 0.44 0.05 -0.05 -1.61 -3.33 0.00 0.00 175.10 170.60 3isv s GLU 137 N -2.46 3.52 -0.07 1.54 2.02 0.23 -4.93 118.70 118.54 3isv s GLU 137 Ca 0.61 -0.58 0.04 0.00 0.02 0.00 0.00 54.97 55.05 3isv s GLU 137 Cb -0.34 -2.92 0.00 0.00 0.10 0.00 0.00 34.13 30.97 3isv s GLU 137 CO 0.42 0.06 -0.20 0.08 0.02 0.00 0.00 175.26 175.65 3isv s VAL 138 N 0.82 1.70 -0.03 2.63 1.01 -1.26 -0.89 120.40 124.38 3isv s VAL 138 Ca -0.01 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.20 3isv s VAL 138 Cb -0.15 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 3isv s VAL 138 CO 0.02 0.48 -0.21 -1.81 0.00 0.00 0.00 175.10 173.58 3isv s ASP 139 N 0.29 2.46 0.05 3.32 1.01 -0.59 -5.01 116.67 118.21 3isv s ASP 139 Ca -0.13 -0.39 0.09 0.00 0.71 0.00 0.00 52.55 52.83 3isv s ASP 139 Cb -0.16 -0.42 -0.03 0.00 1.01 0.00 0.00 42.92 43.33 3isv s ASP 139 CO 0.06 0.23 -0.25 -0.44 0.21 0.00 0.00 175.17 174.98 3isv s SER 140 N -0.33 3.32 -0.07 0.27 0.01 -1.26 -0.69 113.70 114.95 3isv s SER 140 Ca 0.04 -0.58 0.01 0.00 1.31 0.00 0.00 55.95 56.73 3isv s SER 140 Cb -0.10 -0.35 0.02 0.00 0.21 0.00 0.00 66.02 65.81 3isv s SER 140 CO 0.00 0.25 -0.08 -0.22 0.41 0.00 0.00 173.24 173.60 3isv s LEU 141 N -1.38 1.37 0.01 2.44 2.96 0.65 -4.94 118.68 119.78 3isv s LEU 141 Ca 0.13 -0.23 -0.27 0.00 -0.22 0.00 0.00 54.13 53.53 3isv s LEU 141 Cb -0.10 -0.69 -0.04 0.00 0.50 0.00 0.00 46.19 45.86 3isv s LEU 141 CO 0.03 -0.04 0.85 0.00 -1.32 0.00 0.00 176.35 175.87 3isv s ALA 142 N 1.07 3.27 -0.53 5.97 0.00 -1.26 -1.48 121.76 128.81 3isv s ALA 142 Ca -0.08 0.37 0.07 0.00 0.00 0.00 0.00 51.96 52.33 3isv s ALA 142 Cb -0.14 -3.14 0.29 0.00 0.00 0.00 0.00 23.12 20.13 3isv s ALA 142 CO -0.01 -0.09 0.76 0.00 0.00 0.00 0.00 175.76 176.43 3isv h PRO 144 N 3.61 0.00 0.00 0.00 0.13 -1.95 -1.94 132.00 131.85 3isv h PRO 144 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3isv h PRO 144 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3isv h PRO 144 CO 0.71 0.01 0.00 0.87 -0.23 0.00 0.00 178.00 179.36 3isv h LYS 145 N 0.00 0.00 -0.21 0.86 1.57 -1.98 -3.36 116.57 113.45 3isv h LYS 145 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3isv h LYS 145 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3isv h LYS 145 CO 0.00 0.00 0.10 0.74 -0.57 0.00 0.00 179.45 179.73 3isv h PHE 146 N 0.00 0.31 -0.82 -1.35 -1.00 -1.76 -2.47 116.94 109.85 3isv h PHE 146 Ca 0.00 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.80 3isv h PHE 146 Cb 0.83 -0.10 -0.05 0.00 3.61 0.00 0.00 35.95 40.25 3isv h PHE 146 CO 0.00 0.30 0.52 0.28 -1.61 0.00 0.00 178.31 177.81 3isv h VAL 147 N 0.22 1.12 -0.25 -0.55 2.07 -1.75 -2.03 116.25 115.07 3isv h VAL 147 Ca 0.07 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.27 3isv h VAL 147 Cb 0.11 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 3isv h VAL 147 CO -0.01 0.18 0.10 0.28 0.02 0.00 0.00 177.57 178.14 3isv h SER 148 N 1.01 0.12 -0.74 0.57 0.02 -1.69 0.78 113.55 113.61 3isv h SER 148 Ca 0.33 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.32 3isv h SER 148 Cb 0.02 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 3isv h SER 148 CO -0.12 0.10 0.48 0.58 -1.14 0.00 0.00 176.83 176.73 3isv h VAL 149 N 0.22 1.14 0.05 2.27 2.07 -1.22 -1.35 116.25 119.42 3isv h VAL 149 Ca 0.11 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3isv h VAL 149 Cb 0.07 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 3isv h VAL 149 CO -0.10 0.17 -0.02 0.58 0.02 0.00 0.00 177.57 178.22 3isv h VAL 150 N 0.95 1.22 0.00 2.57 2.07 -0.90 -1.20 116.25 120.96 3isv h VAL 150 Ca 0.29 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 3isv h VAL 150 Cb -0.04 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3isv h VAL 150 CO -0.09 0.23 -0.09 -0.33 0.02 0.00 0.00 177.57 177.31 3isv h GLU 151 N -0.47 0.00 0.00 1.57 4.39 -0.79 -0.55 114.58 118.74 3isv h GLU 151 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3isv h GLU 151 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 3isv h GLU 151 CO 0.01 0.09 0.00 -1.13 -1.16 0.00 0.00 179.01 176.82 3isv n SER 152 N -4.14 0.00 -0.51 1.42 3.41 -0.52 -4.91 113.62 108.38 3isv n SER 152 Ca -0.03 -0.63 -0.06 0.00 -0.26 0.00 0.00 58.87 57.90 3isv n SER 152 Cb 0.17 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 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 1.04 0.64 1.14 5.00 0.00 -0.21 -4.93 105.19 107.87 3isv n GLY 153 Ca 0.19 -0.75 0.08 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.49 3.40 0.00 1.61 4.71 -0.47 -4.69 120.64 122.71 3isv n GLU 154 Ca -0.06 -2.79 0.13 0.00 -0.01 0.00 0.00 57.16 54.43 3isv n GLU 154 Cb 0.29 -1.84 0.67 0.00 -1.01 0.00 0.00 31.44 29.54 3isv n GLU 154 CO 0.00 0.00 0.00 2.48 0.09 0.00 0.00 177.13 179.70 3isv n TYR 155 N 0.08 0.00 0.13 -0.32 0.18 -1.23 -2.15 117.16 113.85 3isv n TYR 155 Ca 0.22 0.00 0.07 0.00 1.88 0.00 0.00 57.90 60.06 3isv n TYR 155 Cb 0.88 -0.31 0.13 0.00 -0.38 0.00 0.00 39.34 39.65 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 -1.31 1.97 -2.79 -3.48 5.02 -1.26 -4.68 118.16 111.63 3isv n LYS 156 Ca 0.12 -1.78 -0.21 0.00 -2.02 0.00 0.00 58.31 54.42 3isv n LYS 156 Cb 0.23 -1.30 0.06 0.00 -0.02 0.00 0.00 35.03 34.01 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 -1.06 4.98 0.31 4.39 1.04 -0.92 -4.97 113.70 117.48 3isv s SER 157 Ca 0.23 -0.43 -0.01 0.00 0.48 0.00 0.00 55.95 56.22 3isv s SER 157 Cb 0.13 -0.23 0.49 0.00 0.10 0.00 0.00 66.02 66.51 3isv s SER 157 CO 0.18 -1.38 1.95 0.00 0.98 0.00 0.00 173.24 174.97 3isv h ALA 158 N -0.01 1.40 -0.51 5.32 0.00 -1.98 -2.55 119.26 120.94 3isv h ALA 158 Ca -0.36 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 3isv h ALA 158 Cb 1.28 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3isv h ALA 158 CO 0.44 0.51 -0.06 0.97 0.00 0.00 0.00 179.25 181.11 3isv h ILE 159 N 0.97 1.26 -0.70 0.00 -0.00 -1.94 -1.58 117.51 115.51 3isv h ILE 159 Ca 0.25 -1.15 -0.04 0.00 -0.00 0.00 0.00 64.86 63.92 3isv h ILE 159 Cb -0.02 0.93 -0.03 0.00 -0.00 0.00 0.00 36.82 37.70 3isv h ILE 159 CO -0.04 0.40 0.26 0.00 -0.00 0.00 0.00 178.15 178.77 3isv h ALA 160 N 1.11 1.14 -0.67 0.18 0.00 -1.62 -1.37 119.26 118.03 3isv h ALA 160 Ca 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3isv h ALA 160 Cb 0.56 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3isv h ALA 160 CO 0.03 0.61 0.21 -0.22 0.00 0.00 0.00 179.25 179.89 3isv h LYS 161 N 1.02 1.04 -0.02 0.00 3.64 -1.02 -1.25 116.57 119.98 3isv h LYS 161 Ca 0.23 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3isv h LYS 161 Cb 0.22 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3isv h LYS 161 CO -0.02 0.90 0.00 -0.22 -2.27 0.00 0.00 179.45 177.85 3isv h LYS 162 N 0.98 0.03 -0.78 1.90 3.64 -0.92 -1.97 116.57 119.44 3isv h LYS 162 Ca 0.22 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 3isv h LYS 162 Cb 0.29 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 3isv h LYS 162 CO -0.01 0.26 0.51 0.28 -2.27 0.00 0.00 179.45 178.22 3isv h VAL 163 N -0.20 1.15 -0.49 2.00 2.07 -1.15 0.55 116.25 120.18 3isv h VAL 163 Ca 0.01 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 3isv h VAL 163 Cb 0.24 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 3isv h VAL 163 CO 0.00 0.18 0.25 0.58 0.02 0.00 0.00 177.57 178.60 3isv h VAL 164 N 1.01 1.19 -0.53 2.57 2.07 -1.17 -1.68 116.25 119.71 3isv h VAL 164 Ca 0.30 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3isv h VAL 164 Cb -0.04 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3isv h VAL 164 CO -0.09 0.21 0.27 0.00 0.02 0.00 0.00 177.57 177.97 3isv h ALA 165 N 1.09 0.68 -0.15 1.67 0.00 -0.59 -0.89 119.26 121.06 3isv h ALA 165 Ca 0.17 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3isv h ALA 165 Cb 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3isv h ALA 165 CO -0.02 0.23 0.01 0.93 0.00 0.00 0.00 179.25 180.39 3isv h GLU 166 N 0.71 0.06 0.07 0.00 5.08 -0.78 -2.91 114.58 116.80 3isv h GLU 166 Ca 0.18 -0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.29 3isv h GLU 166 Cb 0.10 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3isv h GLU 166 CO -0.03 0.04 -1.11 0.77 -1.00 0.00 0.00 179.01 177.68 3isv h SER 167 N 0.06 0.29 0.10 1.42 0.02 -1.07 -3.34 113.55 111.02 3isv h SER 167 Ca 0.07 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3isv h SER 167 Cb 0.08 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.52 3isv h SER 167 CO -0.11 1.21 -0.42 0.18 -1.14 0.00 0.00 176.83 176.54 3isv n LEU 168 N -3.51 1.54 -0.34 5.07 4.77 -0.36 -4.48 117.00 119.69 3isv n LEU 168 Ca -0.05 -0.53 0.14 0.00 -0.03 0.00 0.00 56.01 55.53 3isv n LEU 168 Cb 0.96 -0.05 0.35 0.00 -2.33 0.00 0.00 43.42 42.35 3isv n LEU 168 CO 0.51 0.29 1.20 0.25 -1.33 0.00 0.00 177.39 178.32 3isv h LEU 169 N 1.76 0.73 -2.05 2.23 5.85 -1.64 -1.15 115.31 121.04 3isv h LEU 169 Ca 0.00 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3isv h LEU 169 Cb 0.64 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 3isv h LEU 169 CO 0.00 0.27 -0.01 -0.65 -0.34 0.00 0.00 178.44 177.71 3isv h PRO 170 N 0.72 0.00 0.00 5.25 0.11 -1.88 -2.10 132.00 134.10 3isv h PRO 170 Ca 0.56 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.65 3isv h PRO 170 Cb 0.93 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 3isv h PRO 170 CO -0.34 0.01 -0.07 -0.07 -0.21 0.00 0.00 178.00 177.32 3isv h LEU 171 N 0.00 0.00 -1.05 2.35 3.38 -1.53 -2.27 115.31 116.18 3isv h LEU 171 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3isv h LEU 171 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3isv h LEU 171 CO 0.00 0.07 0.00 0.11 0.09 0.00 0.00 178.44 178.71 3isv h LYS 172 N 0.00 0.00 -0.36 1.13 1.57 -1.50 -2.13 116.57 115.27 3isv h LYS 172 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3isv h LYS 172 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3isv h LYS 172 CO 0.01 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.32 3isv n SER 173 N -2.51 1.65 -4.53 0.86 7.64 -0.85 -4.90 113.62 110.96 3isv n SER 173 Ca 0.01 -2.05 -0.30 0.00 1.01 0.00 0.00 58.87 57.54 3isv n SER 173 Cb 0.23 -0.24 -0.08 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 -1.64 1.07 -0.36 0.44 -4.23 -0.80 -5.03 115.64 105.08 3isv s THR 174 Ca 0.18 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.84 3isv s THR 174 Cb 0.10 -2.33 0.73 0.00 1.34 0.00 0.00 72.50 72.34 3isv s THR 174 CO 0.11 0.00 1.65 0.29 -0.54 0.00 0.00 174.62 176.13 3isv n LYS 175 N -1.10 4.26 -1.74 3.99 5.02 -1.26 -4.99 118.16 122.34 3isv n LYS 175 Ca -0.13 -3.04 -0.42 0.00 -2.02 0.00 0.00 58.31 52.70 3isv n LYS 175 Cb 0.66 -2.10 -0.02 0.00 -0.02 0.00 0.00 35.03 33.55 3isv n LYS 175 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3isv s ILE 176 N -2.63 2.02 -0.77 -0.18 1.01 -1.26 -4.85 121.20 114.53 3isv s ILE 176 Ca 0.51 0.02 0.07 0.00 0.00 0.00 0.00 60.65 61.24 3isv s ILE 176 Cb 0.38 -3.01 0.03 0.00 0.01 0.00 0.00 42.46 39.88 3isv s ILE 176 CO 0.15 0.00 0.64 -0.90 0.00 0.00 0.00 174.94 174.83 3isv n ASP 177 N 3.13 1.34 -3.76 3.58 5.75 -0.74 -4.87 116.55 120.98 3isv n ASP 177 Ca 0.12 -1.17 -0.12 0.00 -0.01 0.00 0.00 54.79 53.61 3isv n ASP 177 Cb 0.36 0.20 -0.12 0.00 -1.03 0.00 0.00 41.12 40.53 3isv n ASP 177 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3isv s THR 178 N -0.79 -0.02 -0.17 2.12 -1.32 -1.24 -0.60 115.64 113.63 3isv s THR 178 Ca 0.07 0.06 0.01 0.00 -1.21 0.00 0.00 61.69 60.62 3isv s THR 178 Cb 0.06 -0.37 0.02 0.00 -1.51 0.00 0.00 72.50 70.70 3isv s THR 178 CO 0.12 0.03 -0.16 -0.69 -2.21 0.00 0.00 174.62 171.71 3isv s VAL 179 N 0.64 1.77 -0.17 5.08 1.01 0.73 -0.90 120.40 128.56 3isv s VAL 179 Ca -0.04 -0.80 -0.16 0.00 0.00 0.00 0.00 61.98 60.97 3isv s VAL 179 Cb -0.06 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 3isv s VAL 179 CO -0.04 0.45 0.41 -0.51 0.00 0.00 0.00 175.10 175.42 3isv s ILE 180 N 1.40 5.21 -0.81 2.22 1.10 0.03 -0.14 121.20 130.20 3isv s ILE 180 Ca 0.04 0.77 -0.26 0.00 -0.51 0.00 0.00 60.65 60.70 3isv s ILE 180 Cb -0.13 -3.75 0.03 0.00 0.15 0.00 0.00 42.46 38.76 3isv s ILE 180 CO -0.11 0.29 1.34 -0.76 -2.11 0.00 0.00 174.94 173.59 3isv s LEU 181 N 0.98 3.25 -0.24 8.50 1.43 -0.26 -2.12 118.68 130.23 3isv s LEU 181 Ca 0.21 -0.71 0.09 0.00 -1.03 0.00 0.00 54.13 52.69 3isv s LEU 181 Cb -0.15 -2.56 0.65 0.00 0.03 0.00 0.00 46.19 44.16 3isv s LEU 181 CO 0.08 -1.77 1.60 0.61 0.23 0.00 0.00 176.35 177.10 3isv n GLY 182 N 5.81 3.10 2.86 -3.19 0.00 0.78 -4.60 105.19 109.94 3isv n GLY 182 Ca 0.12 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 45.16 3isv n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3isv n THR 184 N 3.96 0.99 0.17 0.00 -2.24 -1.26 -1.30 114.28 114.59 3isv n THR 184 Ca -0.25 0.37 0.01 0.00 -2.27 0.00 0.00 64.05 61.91 3isv n THR 184 Cb 0.51 -1.30 0.29 0.00 -2.10 0.00 0.00 70.33 67.73 3isv n THR 184 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3isv h HIS 185 N 0.00 0.01 0.00 4.78 3.86 -1.91 -3.37 115.15 118.51 3isv h HIS 185 Ca 0.00 -0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 3isv h HIS 185 Cb 0.23 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3isv h HIS 185 CO 0.00 0.47 -0.36 1.88 0.86 0.00 0.00 177.93 180.78 3isv h TYR 186 N 0.00 0.00 -0.05 2.45 0.05 -1.55 -2.28 116.97 115.59 3isv h TYR 186 Ca -0.00 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.79 3isv h TYR 186 Cb 0.82 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.56 3isv h TYR 186 CO 0.00 0.36 0.21 -1.35 -1.05 0.00 0.00 178.16 176.33 3isv h PRO 187 N 0.00 0.00 0.00 4.88 0.11 -1.76 -0.50 132.00 134.73 3isv h PRO 187 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3isv h PRO 187 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3isv h PRO 187 CO 0.05 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.77 3isv h LEU 188 N 0.00 0.00 -2.25 2.35 4.07 -1.71 -1.29 115.31 116.48 3isv h LEU 188 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3isv h LEU 188 Cb 0.44 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.18 3isv h LEU 188 CO -0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.44 177.54 3isv n LEU 189 N -2.98 3.38 -0.28 1.67 4.77 -0.21 -4.76 117.00 118.59 3isv n LEU 189 Ca -0.00 -1.42 -0.03 0.00 -0.03 0.00 0.00 56.01 54.52 3isv n LEU 189 Cb 0.23 -0.22 0.08 0.00 -2.33 0.00 0.00 43.42 41.18 3isv n LEU 189 CO 0.24 0.71 1.18 0.50 -1.33 0.00 0.00 177.39 178.69 3isv h LYS 190 N 4.46 0.96 -0.79 3.23 3.64 -1.13 -2.06 116.57 124.88 3isv h LYS 190 Ca 0.00 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3isv h LYS 190 Cb 0.98 -0.22 -0.06 0.00 -0.41 0.00 0.00 32.23 32.53 3isv h LYS 190 CO 0.00 0.63 0.49 -1.35 -2.27 0.00 0.00 179.45 176.95 3isv h PRO 191 N 0.99 0.88 -0.35 1.90 0.11 -1.86 0.22 132.00 133.89 3isv h PRO 191 Ca 0.30 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.32 3isv h PRO 191 Cb -0.04 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.86 3isv h PRO 191 CO -0.09 0.59 0.08 0.82 -0.21 0.00 0.00 178.00 179.19 3isv h ILE 192 N 0.91 1.22 -0.49 4.15 2.04 -1.81 -1.03 117.51 122.51 3isv h ILE 192 Ca 0.34 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 3isv h ILE 192 Cb 0.12 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 3isv h ILE 192 CO -0.15 0.26 0.17 0.40 0.00 0.00 0.00 178.15 178.82 3isv h ILE 193 N 0.41 1.22 -0.36 -0.67 2.04 -0.90 -0.85 117.51 118.40 3isv h ILE 193 Ca 0.11 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.26 3isv h ILE 193 Cb 0.30 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3isv h ILE 193 CO 0.00 0.26 0.22 -0.33 0.00 0.00 0.00 178.15 178.31 3isv h GLU 194 N 0.65 0.44 -0.62 2.37 5.08 -0.48 -2.81 114.58 119.21 3isv h GLU 194 Ca 0.16 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3isv h GLU 194 Cb 0.24 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3isv h GLU 194 CO -0.01 0.29 0.30 -0.91 -1.00 0.00 0.00 179.01 177.69 3isv h ASN 195 N 0.46 0.81 0.00 1.42 2.35 -1.05 -1.36 115.58 118.22 3isv h ASN 195 Ca 0.14 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3isv h ASN 195 Cb -0.02 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.14 3isv h ASN 195 CO -0.05 0.71 0.00 0.33 -1.65 0.00 0.00 177.43 176.77 3isv n PHE 196 N -4.51 0.00 -3.83 1.19 7.35 -0.34 -4.95 117.46 112.38 3isv n PHE 196 Ca 0.04 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.77 3isv n PHE 196 Cb 0.12 -0.02 0.01 0.00 0.35 0.00 0.00 39.48 39.94 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 -0.97 -0.30 0.00 7.13 0.00 -0.51 -5.10 107.32 107.57 3isv s GLY 198 Ca 0.00 0.41 0.29 0.00 0.00 0.00 0.00 44.72 45.42 3isv s GLY 198 CO 0.00 3.74 1.84 1.22 0.00 0.00 0.00 173.10 179.90 3isv n ASP 199 N -0.81 0.58 0.00 1.64 9.92 -1.26 -2.74 116.55 123.88 3isv n ASP 199 Ca -0.01 -0.71 0.15 0.00 -0.53 0.00 0.00 54.79 53.69 3isv n ASP 199 Cb 0.61 -0.04 0.88 0.00 -0.64 0.00 0.00 41.12 41.92 3isv n ASP 199 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3isv n GLY 200 N 1.26 -0.99 3.11 0.44 0.00 -1.26 -4.79 105.19 102.96 3isv n GLY 200 Ca 0.15 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.08 1.92 -0.34 1.61 1.01 -1.11 -4.74 120.40 116.68 3isv s VAL 201 Ca 0.43 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 61.27 3isv s VAL 201 Cb 0.21 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.86 3isv s VAL 201 CO 0.36 0.52 0.99 0.00 0.00 0.00 0.00 175.10 176.97 3isv s ALA 202 N 1.20 3.46 -0.24 5.51 0.00 0.23 -4.89 121.76 127.03 3isv s ALA 202 Ca 0.01 -0.25 -0.14 0.00 0.00 0.00 0.00 51.96 51.58 3isv s ALA 202 Cb -0.14 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 3isv s ALA 202 CO -0.09 -1.51 0.33 0.08 0.00 0.00 0.00 175.76 174.56 3isv s VAL 203 N 3.52 5.23 -0.20 0.00 1.01 -1.26 -0.19 120.40 128.51 3isv s VAL 203 Ca 0.41 0.51 -0.04 0.00 0.00 0.00 0.00 61.98 62.86 3isv s VAL 203 Cb -0.12 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 3isv s VAL 203 CO 0.17 0.23 -0.03 -0.63 0.00 0.00 0.00 175.10 174.84 3isv s ILE 204 N 1.60 3.66 -0.34 2.22 -1.09 0.80 -4.97 121.20 123.09 3isv s ILE 204 Ca 0.14 -0.41 -0.12 0.00 -2.23 0.00 0.00 60.65 58.03 3isv s ILE 204 Cb -0.15 -2.65 -0.01 0.00 -1.58 0.00 0.00 42.46 38.07 3isv s ILE 204 CO 0.08 0.44 0.23 0.21 -1.23 0.00 0.00 174.94 174.67 3isv s ASN 205 N 1.08 5.96 -0.00 3.58 3.84 -1.26 -1.10 114.94 127.04 3isv s ASN 205 Ca 0.01 -0.47 0.08 0.00 0.21 0.00 0.00 52.86 52.70 3isv s ASN 205 Cb -0.15 -2.11 0.24 0.00 -0.55 0.00 0.00 41.25 38.68 3isv s ASN 205 CO 0.01 -0.24 1.19 -1.54 -2.79 0.00 0.00 177.10 173.73 3isv n SER 206 N 5.08 1.46 -0.21 -4.21 3.41 -1.26 -4.13 113.62 113.76 3isv n SER 206 Ca -0.13 -2.01 -0.04 0.00 -0.26 0.00 0.00 58.87 56.43 3isv n SER 206 Cb 0.49 -0.19 0.06 0.00 -0.26 0.00 0.00 64.21 64.32 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 5.40 0.87 0.87 5.00 0.00 -1.95 -0.78 103.07 112.49 3isv h GLY 207 Ca 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 47.33 47.09 3isv h GLY 207 CO 0.01 0.21 0.34 -2.09 0.00 0.00 0.00 176.54 175.01 3isv h GLU 208 N 0.70 0.66 -0.17 4.80 4.81 -1.85 -0.43 114.58 123.09 3isv h GLU 208 Ca 0.25 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 3isv h GLU 208 Cb 0.06 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3isv h GLU 208 CO -0.12 0.43 -0.33 1.49 -0.73 0.00 0.00 179.01 179.76 3isv h GLU 209 N 0.68 0.35 -0.17 1.92 4.57 -1.81 -2.35 114.58 117.77 3isv h GLU 209 Ca 0.23 -0.15 -0.04 0.00 -1.18 0.00 0.00 59.36 58.22 3isv h GLU 209 Cb 0.02 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3isv h GLU 209 CO -0.10 0.64 -0.04 1.15 -1.18 0.00 0.00 179.01 179.48 3isv h THR 210 N 0.30 1.29 -0.72 0.32 2.02 -0.80 -2.32 112.91 112.99 3isv h THR 210 Ca 0.04 -1.01 0.02 0.00 0.77 0.00 0.00 66.41 66.23 3isv h THR 210 Cb 0.73 1.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.70 3isv h THR 210 CO 0.06 0.30 0.48 0.00 0.37 0.00 0.00 175.52 176.73 3isv h ALA 211 N 0.72 1.54 -0.40 6.16 0.00 -0.97 -1.61 119.26 124.70 3isv h ALA 211 Ca 0.04 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3isv h ALA 211 Cb 0.48 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3isv h ALA 211 CO 0.02 0.40 -0.18 0.77 0.00 0.00 0.00 179.25 180.26 3isv h SER 212 N 0.92 0.77 -0.47 0.00 0.02 -1.29 -0.36 113.55 113.13 3isv h SER 212 Ca 0.28 -0.26 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 3isv h SER 212 Cb -0.01 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 3isv h SER 212 CO -0.07 0.95 0.03 -0.08 -1.14 0.00 0.00 176.83 176.51 3isv h GLU 213 N 0.68 0.88 -0.15 3.45 4.81 -0.80 -0.93 114.58 122.51 3isv h GLU 213 Ca 0.10 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3isv h GLU 213 Cb 0.68 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3isv h GLU 213 CO 0.05 0.86 0.07 0.28 -0.73 0.00 0.00 179.01 179.54 3isv h VAL 214 N 0.82 1.12 -0.47 0.32 2.07 -0.90 -0.24 116.25 118.98 3isv h VAL 214 Ca 0.16 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.38 3isv h VAL 214 Cb 0.45 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 3isv h VAL 214 CO 0.02 0.12 0.17 -1.28 0.02 0.00 0.00 177.57 176.61 3isv h SER 215 N 0.12 0.17 -0.51 0.57 0.87 -0.83 -1.57 113.55 112.38 3isv h SER 215 Ca 0.05 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 3isv h SER 215 Cb 0.12 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 3isv h SER 215 CO -0.01 0.13 0.20 0.00 -0.53 0.00 0.00 176.83 176.62 3isv h ALA 216 N 1.31 0.66 -0.21 6.23 0.00 -0.90 -1.95 119.26 124.40 3isv h ALA 216 Ca 0.22 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 3isv h ALA 216 Cb 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3isv h ALA 216 CO -0.22 0.28 -0.59 -0.07 0.00 0.00 0.00 179.25 178.64 3isv h LEU 217 N 0.68 0.76 -0.32 0.00 3.38 -0.82 0.02 115.31 119.01 3isv h LEU 217 Ca 0.17 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.74 3isv h LEU 217 Cb 0.21 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3isv h LEU 217 CO -0.01 1.18 0.14 -0.07 0.09 0.00 0.00 178.44 179.77 3isv h LEU 218 N 0.51 0.20 -0.42 1.67 3.38 -1.19 -1.73 115.31 117.73 3isv h LEU 218 Ca 0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3isv h LEU 218 Cb 1.16 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 3isv h LEU 218 CO 0.12 0.15 0.20 -0.78 0.09 0.00 0.00 178.44 178.22 3isv h ASP 219 N 0.30 0.55 -0.89 -0.43 3.58 -1.22 0.16 116.42 118.48 3isv h ASP 219 Ca 0.14 -0.13 0.06 0.00 0.42 0.00 0.00 57.03 57.52 3isv h ASP 219 Cb 0.07 -0.14 -0.06 0.00 1.72 0.00 0.00 39.33 40.92 3isv h ASP 219 CO -0.11 0.52 0.56 0.22 -2.88 0.00 0.00 179.24 177.55 3isv h TYR 220 N 0.54 1.04 -0.61 0.28 3.20 -0.74 -2.47 116.97 118.21 3isv h TYR 220 Ca 0.14 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3isv h TYR 220 Cb 0.12 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.05 3isv h TYR 220 CO -0.01 0.54 0.00 0.72 -1.64 0.00 0.00 178.16 177.76 3isv n HIS 221 N -4.59 0.87 -3.60 -3.82 8.25 -0.67 -4.94 115.22 106.73 3isv n HIS 221 Ca 0.13 -0.42 -0.23 0.00 -0.26 0.00 0.00 57.72 56.94 3isv n HIS 221 Cb 0.17 -0.02 0.07 0.00 1.12 0.00 0.00 29.99 31.33 3isv n HIS 221 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3isv n ASN 222 N 1.26 -4.83 -0.46 0.41 3.02 -0.69 -4.91 115.26 109.06 3isv n ASN 222 Ca 0.21 -0.60 0.05 0.00 -0.03 0.00 0.00 54.58 54.20 3isv n ASN 222 Cb 0.55 -4.88 0.09 0.00 -0.61 0.00 0.00 39.78 34.92 3isv n ASN 222 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3isv n LEU 223 N -4.72 2.32 -4.77 3.41 4.77 0.49 -5.02 117.00 113.49 3isv n LEU 223 Ca -0.08 -1.55 -0.40 0.00 -0.03 0.00 0.00 56.01 53.95 3isv n LEU 223 Cb 0.59 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 3isv n LEU 223 CO 0.65 0.54 0.88 -0.76 -1.33 0.00 0.00 177.39 177.37 3isv s LEU 224 N -0.90 4.38 0.06 2.23 1.43 -1.23 -4.96 118.68 119.69 3isv s LEU 224 Ca 0.15 2.45 -0.31 0.00 -1.03 0.00 0.00 54.13 55.40 3isv s LEU 224 Cb 0.09 -3.77 -0.07 0.00 0.03 0.00 0.00 46.19 42.47 3isv s LEU 224 CO 0.12 -0.47 1.49 -0.62 0.23 0.00 0.00 176.35 177.10 3isv s ASP 225 N -0.82 6.74 -0.03 2.29 2.15 -1.26 -4.91 116.67 120.83 3isv s ASP 225 Ca 0.50 2.32 0.10 0.00 0.43 0.00 0.00 52.55 55.91 3isv s ASP 225 Cb -0.34 -2.57 0.30 0.00 -0.30 0.00 0.00 42.92 40.01 3isv s ASP 225 CO 0.45 -0.77 1.25 0.00 -0.17 0.00 0.00 175.17 175.92 3isv n ALA 226 N 5.03 2.29 -1.99 3.66 0.00 -1.26 -4.99 120.51 123.25 3isv n ALA 226 Ca 0.14 -1.36 -0.19 0.00 0.00 0.00 0.00 53.44 52.03 3isv n ALA 226 Cb 0.42 -0.42 0.03 0.00 0.00 0.00 0.00 19.45 19.48 3isv n ALA 226 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3isv s THR 227 N -1.35 2.71 -0.33 0.00 -4.23 -1.26 -5.02 115.64 106.16 3isv s THR 227 Ca 0.23 -0.82 0.15 0.00 -1.18 0.00 0.00 61.69 60.08 3isv s THR 227 Cb 0.14 -2.89 0.66 0.00 1.34 0.00 0.00 72.50 71.76 3isv s THR 227 CO 0.12 0.00 1.58 -0.90 -0.54 0.00 0.00 174.62 174.88 3isv n ASP 228 N -2.17 4.72 -4.73 3.99 5.75 -1.26 -5.00 116.55 117.84 3isv n ASP 228 Ca 0.09 -2.88 -0.42 0.00 -0.01 0.00 0.00 54.79 51.57 3isv n ASP 228 Cb 0.60 -0.59 -0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3isv n ASP 228 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3isv n GLU 229 N 0.17 2.37 0.00 0.11 1.02 -1.26 -5.21 120.64 117.85 3isv n GLU 229 Ca 0.24 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 58.21 3isv n GLU 229 Cb 1.00 -2.48 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 3isv n GLU 229 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3isv n GLU 230 N 0.50 3.48 0.00 3.49 -0.00 -1.26 -5.07 120.64 121.78 3isv n GLU 230 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.19 3isv n GLU 230 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.81 3isv n GLU 230 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 3isv n GLU 232 N 0.00 0.00 -2.00 3.44 0.28 -1.26 -5.11 120.64 115.99 3isv n GLU 232 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.68 3isv n GLU 232 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 3isv n GLU 232 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 3isv s HIS 233 N 0.00 3.39 -0.06 -1.84 0.09 -1.26 -4.82 115.29 110.79 3isv s HIS 233 Ca 0.00 1.40 0.01 0.00 -0.00 0.00 0.00 55.06 56.47 3isv s HIS 233 Cb 0.00 -2.81 0.02 0.00 -0.00 0.00 0.00 32.58 29.79 3isv s HIS 233 CO 0.00 -0.75 -0.06 1.03 -0.00 0.00 0.00 174.74 174.96 3isv s ARG 234 N -4.67 1.10 -0.07 1.40 1.81 -0.47 -4.45 118.95 113.61 3isv s ARG 234 Ca 0.58 -0.17 0.04 0.00 -1.72 0.00 0.00 55.73 54.46 3isv s ARG 234 Cb -0.12 -1.10 -0.02 0.00 -0.45 0.00 0.00 34.95 33.26 3isv s ARG 234 CO 0.45 -0.11 -0.18 -0.06 -0.68 0.00 0.00 175.30 174.72 3isv s PHE 235 N 1.12 2.63 -0.04 -0.53 0.08 -0.59 -0.98 117.98 119.67 3isv s PHE 235 Ca -0.07 -0.42 0.04 0.00 0.12 0.00 0.00 56.93 56.60 3isv s PHE 235 Cb -0.14 -1.65 -0.00 0.00 -0.57 0.00 0.00 43.02 40.65 3isv s PHE 235 CO -0.01 -0.01 -0.15 -0.06 -0.10 0.00 0.00 175.22 174.89 3isv s PHE 236 N -0.36 1.51 0.01 0.36 0.08 0.11 -0.92 117.98 118.77 3isv s PHE 236 Ca 0.03 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.69 3isv s PHE 236 Cb -0.12 -1.02 -0.01 0.00 -0.57 0.00 0.00 43.02 41.29 3isv s PHE 236 CO 0.02 -0.14 -0.08 -0.08 -0.10 0.00 0.00 175.22 174.85 3isv s THR 237 N 0.04 0.58 -2.15 0.64 -1.32 -0.36 -1.20 115.64 111.87 3isv s THR 237 Ca -0.03 -0.58 0.31 0.00 -1.21 0.00 0.00 61.69 60.17 3isv s THR 237 Cb -0.10 -0.54 0.77 0.00 -1.51 0.00 0.00 72.50 71.11 3isv s THR 237 CO 0.01 -0.02 2.05 0.35 -2.21 0.00 0.00 174.62 174.80 3isv n THR 238 N 2.39 0.00 -1.71 5.08 -2.24 -0.86 -1.39 114.28 115.56 3isv n THR 238 Ca -0.16 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3isv n THR 238 Cb 0.57 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 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 1.07 3.85 3.69 3.38 0.00 -1.26 -4.21 105.19 111.72 3isv n GLY 239 Ca 0.22 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 0.07 6.78 0.25 1.61 0.15 -1.26 -4.79 113.70 116.51 3isv s SER 240 Ca 0.00 2.25 -0.03 0.00 0.70 0.00 0.00 55.95 58.87 3isv s SER 240 Cb 0.00 -2.57 0.29 0.00 -1.71 0.00 0.00 66.02 62.04 3isv s SER 240 CO 0.00 -0.75 1.74 0.71 1.20 0.00 0.00 173.24 176.14 3isv h THR 241 N 4.78 1.25 -0.29 6.45 1.35 -1.93 -2.69 112.91 121.83 3isv h THR 241 Ca -0.40 -1.03 -0.01 0.00 -0.55 0.00 0.00 66.41 64.43 3isv h THR 241 Cb 1.19 0.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.46 3isv h THR 241 CO 0.90 0.36 0.14 -0.61 -0.25 0.00 0.00 175.52 176.07 3isv h GLN 242 N 0.78 0.42 -0.60 4.72 5.75 -1.96 0.21 115.11 124.43 3isv h GLN 242 Ca 0.15 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.64 3isv h GLN 242 Cb 0.47 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.89 3isv h GLN 242 CO 0.02 0.41 0.33 0.82 -2.65 0.00 0.00 178.83 177.75 3isv h ILE 243 N 0.34 0.97 -0.18 2.39 2.04 -1.96 -1.32 117.51 119.79 3isv h ILE 243 Ca 0.10 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3isv h ILE 243 Cb 0.12 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 3isv h ILE 243 CO -0.01 0.11 0.06 0.15 0.00 0.00 0.00 178.15 178.46 3isv h PHE 244 N 0.62 0.29 -0.94 1.37 3.57 -1.26 -3.03 116.94 117.55 3isv h PHE 244 Ca 0.26 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.75 3isv h PHE 244 Cb 0.15 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 3isv h PHE 244 CO -0.09 0.38 0.62 0.87 -2.23 0.00 0.00 178.31 177.86 3isv h LYS 245 N 0.12 1.23 -0.99 1.11 1.57 -0.61 0.12 116.57 119.12 3isv h LYS 245 Ca 0.06 -0.07 0.06 0.00 -1.87 0.00 0.00 60.65 58.82 3isv h LYS 245 Cb 0.22 -0.28 -0.06 0.00 0.08 0.00 0.00 32.23 32.19 3isv h LYS 245 CO -0.00 0.82 0.64 -0.44 -0.57 0.00 0.00 179.45 179.90 3isv h ASP 246 N 1.27 1.04 0.05 0.86 3.32 -1.19 0.10 116.42 121.87 3isv h ASP 246 Ca 0.35 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.33 3isv h ASP 246 Cb -0.14 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.20 3isv h ASP 246 CO -0.08 0.68 -0.32 0.40 -1.72 0.00 0.00 179.24 178.20 3isv h ILE 247 N 1.19 1.68 -0.68 0.35 2.04 -1.34 -3.14 117.51 117.59 3isv h ILE 247 Ca 0.41 -2.42 0.01 0.00 1.00 0.00 0.00 64.86 63.87 3isv h ILE 247 Cb 0.12 3.31 -0.04 0.00 -0.74 0.00 0.00 36.82 39.47 3isv h ILE 247 CO -0.15 0.65 0.45 0.00 0.00 0.00 0.00 178.15 179.09 3isv h ALA 248 N 0.02 0.87 -0.11 1.87 0.00 -0.62 -0.65 119.26 120.65 3isv h ALA 248 Ca -0.06 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3isv h ALA 248 Cb 1.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3isv h ALA 248 CO 0.05 0.27 -0.24 0.87 0.00 0.00 0.00 179.25 180.20 3isv h LYS 249 N 0.91 0.19 -0.21 0.00 1.57 -0.94 0.13 116.57 118.22 3isv h LYS 249 Ca 0.26 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 3isv h LYS 249 Cb -0.08 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3isv h LYS 249 CO -0.07 0.43 -0.06 0.22 -0.57 0.00 0.00 179.45 179.40 3isv h ASP 250 N 0.17 0.42 0.25 0.86 3.58 -1.34 -2.48 116.42 117.88 3isv h ASP 250 Ca 0.03 -0.38 -0.26 0.00 0.42 0.00 0.00 57.03 56.85 3isv h ASP 250 Cb 0.53 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.48 3isv h ASP 250 CO 0.04 0.70 -1.07 -0.25 -2.88 0.00 0.00 179.24 175.78 3isv h TRP 251 N 0.14 0.78 0.00 0.28 2.91 -0.85 -3.37 115.95 115.84 3isv h TRP 251 Ca 0.05 -0.46 0.00 0.00 1.13 0.00 0.00 58.89 59.62 3isv h TRP 251 Cb 0.52 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 29.10 3isv h TRP 251 CO 0.05 1.29 -1.34 1.28 -1.03 0.00 0.00 178.44 178.69 3isv n LEU 252 N -3.75 0.52 -2.36 0.65 4.77 0.44 -5.03 117.00 112.24 3isv n LEU 252 Ca -0.09 -0.14 -0.01 0.00 -0.03 0.00 0.00 56.01 55.74 3isv n LEU 252 Cb 0.90 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.95 3isv n LEU 252 CO 0.54 0.08 -0.42 0.59 -1.33 0.00 0.00 177.39 176.85 3isv n ASN 253 N -1.95 -6.66 0.00 -1.43 3.02 -0.93 -5.04 115.26 102.26 3isv n ASN 253 Ca 0.00 1.63 0.00 0.00 -0.03 0.00 0.00 54.58 56.19 3isv n ASN 253 Cb 0.45 -4.48 0.00 0.00 -0.61 0.00 0.00 39.78 35.14 3isv n ASN 253 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3isv n PRO 255 N 1.89 0.00 -3.55 3.52 -0.02 -1.26 -5.12 135.00 130.47 3isv n PRO 255 Ca -0.06 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.02 3isv n PRO 255 Cb 0.09 -0.34 -0.11 0.00 -0.02 0.00 0.00 33.50 33.12 3isv n PRO 255 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3isv s ASP 256 N -1.20 6.00 -0.17 2.55 1.11 -1.26 -5.12 116.67 118.59 3isv s ASP 256 Ca 0.00 -0.38 -0.04 0.00 0.18 0.00 0.00 52.55 52.31 3isv s ASP 256 Cb 0.00 -2.12 0.08 0.00 1.07 0.00 0.00 42.92 41.95 3isv s ASP 256 CO 0.00 -0.21 0.20 -0.89 1.18 0.00 0.00 175.17 175.45 3isv s THR 258 N 1.72 -0.29 -0.11 -1.27 2.01 -1.26 -5.09 115.64 111.34 3isv s THR 258 Ca 0.06 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.09 3isv s THR 258 Cb -0.17 -0.57 0.01 0.00 0.01 0.00 0.00 72.50 71.78 3isv s THR 258 CO 0.10 -0.11 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.06 3isv s VAL 259 N 2.31 1.57 0.07 3.82 1.01 -1.26 -1.55 120.40 126.37 3isv s VAL 259 Ca 0.05 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.41 3isv s VAL 259 Cb -0.15 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 3isv s VAL 259 CO -0.10 0.45 -0.21 -1.61 0.00 0.00 0.00 175.10 173.63 3isv s GLU 260 N 0.88 1.30 0.07 2.72 2.02 -0.10 -4.97 118.70 120.62 3isv s GLU 260 Ca -0.09 -1.03 -0.22 0.00 0.02 0.00 0.00 54.97 53.66 3isv s GLU 260 Cb -0.15 -1.47 -0.06 0.00 0.10 0.00 0.00 34.13 32.54 3isv s GLU 260 CO -0.00 0.36 0.65 -1.58 0.02 0.00 0.00 175.26 174.71 3isv s HIS 261 N -0.93 3.79 0.19 1.61 5.65 -1.26 -1.23 115.29 123.11 3isv s HIS 261 Ca 0.07 1.36 0.02 0.00 0.25 0.00 0.00 55.06 56.77 3isv s HIS 261 Cb -0.09 -2.63 -0.05 0.00 -1.18 0.00 0.00 32.58 28.63 3isv s HIS 261 CO 0.03 0.47 0.01 0.96 -0.65 0.00 0.00 174.74 175.56 3isv s ILE 262 N -0.74 0.70 -0.15 0.89 -4.36 -0.48 -4.91 121.20 112.15 3isv s ILE 262 Ca 0.32 -1.99 -0.00 0.00 -0.26 0.00 0.00 60.65 58.72 3isv s ILE 262 Cb -0.20 -2.21 -0.01 0.00 1.25 0.00 0.00 42.46 41.29 3isv s ILE 262 CO 0.21 -0.40 -0.14 -0.75 0.24 0.00 0.00 174.94 174.10 3isv s LYS 263 N -3.92 3.30 -0.19 0.37 2.20 -1.26 -4.24 119.74 115.99 3isv s LYS 263 Ca 0.26 -0.72 -0.09 0.00 -0.36 0.00 0.00 55.97 55.06 3isv s LYS 263 Cb 0.06 -2.64 -0.08 0.00 -1.51 0.00 0.00 37.83 33.65 3isv s LYS 263 CO 0.06 0.10 -0.25 1.28 -0.36 0.00 0.00 175.35 176.18 3isv n LEU 264 N 3.85 1.37 0.00 5.43 4.77 -1.26 -5.15 117.00 126.01 3isv n LEU 264 Ca -0.19 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3isv n LEU 264 Cb 0.52 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3isv n LEU 264 CO 0.30 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.37