#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yit s ARG 2 N 0.00 2.58 0.48 1.61 0.52 -0.15 -5.05 118.95 118.95 1yit s ARG 2 Ca 0.00 -1.27 -0.24 0.00 -0.52 0.00 0.00 55.73 53.70 1yit s ARG 2 Cb 0.00 -2.34 -0.07 0.00 0.52 0.00 0.00 34.95 33.05 1yit s ARG 2 CO 0.00 0.35 1.41 1.03 0.02 0.00 0.00 175.30 178.10 1yit s ARG 3 N -3.77 3.52 0.72 3.54 1.81 -1.26 -4.77 118.95 118.74 1yit s ARG 3 Ca 0.33 2.36 -0.08 0.00 -1.72 0.00 0.00 55.73 56.62 1yit s ARG 3 Cb -0.07 -2.54 0.06 0.00 -0.45 0.00 0.00 34.95 31.95 1yit s ARG 3 CO 0.23 -0.93 1.05 0.96 -0.68 0.00 0.00 175.30 175.93 1yit s ILE 4 N -1.23 2.42 0.26 1.52 -4.36 -1.26 -4.89 121.20 113.65 1yit s ILE 4 Ca 0.64 -0.12 -0.02 0.00 -0.26 0.00 0.00 60.65 60.89 1yit s ILE 4 Cb -0.43 -3.08 0.24 0.00 1.25 0.00 0.00 42.46 40.45 1yit s ILE 4 CO 0.54 -0.09 1.80 -0.61 0.24 0.00 0.00 174.94 176.82 1yit h GLN 5 N -0.68 0.74 -0.05 0.37 4.15 -1.94 -0.39 115.11 117.32 1yit h GLN 5 Ca -0.45 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 58.94 1yit h GLN 5 Cb 1.31 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.83 1yit h GLN 5 CO 0.62 0.49 0.16 0.78 -1.93 0.00 0.00 178.83 178.95 1yit h GLY 6 N 0.77 0.00 1.17 2.39 0.00 -1.98 0.32 103.07 105.73 1yit h GLY 6 Ca 0.45 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.55 1yit h GLY 6 CO -0.30 0.00 -1.45 1.46 0.00 0.00 0.00 176.54 176.25 1yit h GLN 7 N 0.00 0.00 -0.27 4.80 4.20 -1.43 -3.30 115.11 119.11 1yit h GLN 7 Ca 0.02 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.56 1yit h GLN 7 Cb 0.34 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 1yit h GLN 7 CO -0.00 0.49 -0.51 0.00 -0.67 0.00 0.00 178.83 178.14 1yit h ARG 8 N 0.00 0.75 -0.32 1.46 -0.00 -0.72 -3.30 114.38 112.25 1yit h ARG 8 Ca -0.20 -0.45 0.03 0.00 -0.50 0.00 0.00 59.98 58.87 1yit h ARG 8 Cb 1.81 0.04 -0.05 0.00 0.00 0.00 0.00 29.97 31.77 1yit h ARG 8 CO 0.07 1.08 -0.34 0.00 0.00 0.00 0.00 179.97 180.78 1yit h ARG 9 N 0.59 -0.19 -1.36 0.04 3.08 -1.39 -2.24 114.38 112.91 1yit h ARG 9 Ca 0.02 0.01 0.40 0.00 0.07 0.00 0.00 59.98 60.48 1yit h ARG 9 Cb 1.08 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 31.10 1yit h ARG 9 CO 0.11 -0.13 0.95 0.78 -1.07 0.00 0.00 179.97 180.61 1yit h GLY 10 N -0.20 0.44 1.96 0.04 0.00 -1.65 -0.02 103.07 103.64 1yit h GLY 10 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1yit h GLY 10 CO -0.40 -0.10 0.02 3.21 0.00 0.00 0.00 176.54 179.27 1yit h ARG 11 N 0.08 0.00 -3.64 4.80 3.08 -1.53 -3.46 114.38 113.71 1yit h ARG 11 Ca 0.70 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.47 1yit h ARG 11 Cb 2.53 0.00 0.06 0.00 0.08 0.00 0.00 29.97 32.64 1yit h ARG 11 CO -0.13 0.00 -0.44 0.41 -1.07 0.00 0.00 179.97 178.74 1yit n GLY 12 N -1.28 -0.12 3.85 0.04 0.00 -0.02 -5.02 105.19 102.64 1yit n GLY 12 Ca -0.02 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 1yit n GLY 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yit s THR 13 N -3.07 2.18 0.12 2.61 -4.23 -1.26 -4.76 115.64 107.23 1yit s THR 13 Ca 0.28 0.06 -0.31 0.00 -1.18 0.00 0.00 61.69 60.54 1yit s THR 13 Cb -0.12 -2.96 -0.11 0.00 1.34 0.00 0.00 72.50 70.65 1yit s THR 13 CO 0.35 -0.08 1.52 -1.28 -0.54 0.00 0.00 174.62 174.60 1yit h SER 14 N -1.18 -1.79 -1.00 3.99 0.87 -1.95 -0.90 113.55 111.59 1yit h SER 14 Ca -0.48 0.23 0.37 0.00 -1.23 0.00 0.00 61.79 60.69 1yit h SER 14 Cb 1.32 0.73 -0.18 0.00 -0.44 0.00 0.00 62.40 63.83 1yit h SER 14 CO 0.64 -0.39 0.38 0.74 -0.53 0.00 0.00 176.83 177.67 1yit h THR 15 N -0.38 0.02 0.00 2.23 2.02 -2.01 0.82 112.91 115.61 1yit h THR 15 Ca 0.07 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.24 1yit h THR 15 Cb 0.57 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1yit h THR 15 CO -0.57 0.00 -0.65 0.49 0.37 0.00 0.00 175.52 175.16 1yit n PHE 16 N -5.33 0.12 -1.84 3.16 3.01 -0.43 -4.45 117.46 111.71 1yit n PHE 16 Ca 0.33 0.03 -0.31 0.00 1.01 0.00 0.00 57.45 58.51 1yit n PHE 16 Cb 1.11 -0.31 0.02 0.00 -0.01 0.00 0.00 39.48 40.28 1yit n PHE 16 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1yit s ARG 17 N -3.05 3.51 0.05 -1.08 0.52 0.28 -4.17 118.95 115.00 1yit s ARG 17 Ca 0.09 0.77 -0.12 0.00 -0.52 0.00 0.00 55.73 55.95 1yit s ARG 17 Cb 0.16 -2.07 -0.06 0.00 0.52 0.00 0.00 34.95 33.51 1yit s ARG 17 CO 0.74 -0.64 0.40 0.00 0.02 0.00 0.00 175.30 175.81 1yit s ALA 18 N -3.17 3.72 -0.45 2.13 0.00 -1.26 -4.41 121.76 118.32 1yit s ALA 18 Ca 0.55 -0.33 -0.03 0.00 0.00 0.00 0.00 51.96 52.15 1yit s ALA 18 Cb -0.11 -2.30 -0.05 0.00 0.00 0.00 0.00 23.12 20.65 1yit s ALA 18 CO 0.54 0.54 1.71 -0.35 0.00 0.00 0.00 175.76 178.19 1yit n PRO 19 N 1.26 1.20 -0.29 0.00 -0.04 -1.26 -4.66 135.00 131.22 1yit n PRO 19 Ca -0.10 -0.93 0.10 0.00 -0.04 0.00 0.00 63.50 62.53 1yit n PRO 19 Cb 0.52 -2.14 0.24 0.00 -0.04 0.00 0.00 33.50 32.09 1yit n PRO 19 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1yit h SER 20 N 6.39 -0.14 0.00 3.54 0.02 -1.97 0.38 113.55 121.76 1yit h SER 20 Ca 0.26 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 1yit h SER 20 Cb 0.22 0.30 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1yit h SER 20 CO 1.06 -0.17 0.05 0.00 -1.14 0.00 0.00 176.83 176.63 1yit n HIS 21 N -5.28 0.00 0.22 3.45 1.44 -1.26 0.70 115.22 114.50 1yit n HIS 21 Ca 0.19 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.95 1yit n HIS 21 Cb 0.62 -0.30 0.08 0.00 0.12 0.00 0.00 29.99 30.51 1yit n HIS 21 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1yit n ARG 22 N -1.28 1.37 -3.18 -1.40 1.74 0.13 -5.00 116.66 109.05 1yit n ARG 22 Ca 0.00 -1.47 -0.38 0.00 -0.77 0.00 0.00 57.85 55.23 1yit n ARG 22 Cb 0.05 -1.23 -0.06 0.00 -1.02 0.00 0.00 32.46 30.20 1yit n ARG 22 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1yit s TYR 23 N -0.94 3.76 -0.09 -1.55 4.12 0.22 -4.85 117.35 118.02 1yit s TYR 23 Ca 0.16 1.35 -0.08 0.00 0.02 0.00 0.00 57.07 58.53 1yit s TYR 23 Cb 0.10 -2.57 -0.06 0.00 -1.52 0.00 0.00 41.96 37.92 1yit s TYR 23 CO 0.14 0.49 0.27 0.87 0.02 0.00 0.00 175.55 177.34 1yit h LYS 24 N 4.07 -0.10 -3.03 -0.62 1.57 -1.94 -3.49 116.57 113.02 1yit h LYS 24 Ca -0.48 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.20 1yit h LYS 24 Cb 1.20 0.02 -0.19 0.00 0.08 0.00 0.00 32.23 33.35 1yit h LYS 24 CO 0.65 0.08 -0.22 0.00 -0.57 0.00 0.00 179.45 179.38 1yit s ALA 25 N -2.83 -0.85 -1.19 3.86 0.00 -1.26 -5.06 121.76 114.44 1yit s ALA 25 Ca -0.05 0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.12 1yit s ALA 25 Cb -0.00 0.15 0.21 0.00 0.00 0.00 0.00 23.12 23.48 1yit s ALA 25 CO 0.16 -0.32 1.42 -3.47 0.00 0.00 0.00 175.76 173.55 1yit n ASP 26 N 1.01 5.39 -4.60 0.00 2.03 -1.26 -4.99 116.55 114.14 1yit n ASP 26 Ca -0.20 -3.05 -0.58 0.00 0.52 0.00 0.00 54.79 51.47 1yit n ASP 26 Cb 0.57 -1.48 -0.08 0.00 -0.72 0.00 0.00 41.12 39.41 1yit n ASP 26 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1yit n LEU 27 N 4.20 1.92 -3.74 -2.67 4.77 -1.26 -4.94 117.00 115.28 1yit n LEU 27 Ca 0.33 0.91 -0.13 0.00 -0.03 0.00 0.00 56.01 57.08 1yit n LEU 27 Cb 0.40 -1.09 -0.10 0.00 -2.33 0.00 0.00 43.42 40.30 1yit n LEU 27 CO 0.62 -0.59 0.07 -1.61 -1.33 0.00 0.00 177.39 174.55 1yit s GLU 28 N 4.35 0.52 0.57 3.23 2.02 -1.26 -4.92 118.70 123.21 1yit s GLU 28 Ca 1.05 0.40 -0.20 0.00 0.02 0.00 0.00 54.97 56.24 1yit s GLU 28 Cb -1.16 0.25 -0.05 0.00 0.10 0.00 0.00 34.13 33.27 1yit s GLU 28 CO 0.65 -0.09 1.23 0.72 0.02 0.00 0.00 175.26 177.80 1yit n HIS 29 N 2.51 1.81 -1.61 1.61 8.25 -0.85 -5.00 115.22 121.95 1yit n HIS 29 Ca -0.15 0.44 -0.29 0.00 -0.26 0.00 0.00 57.72 57.46 1yit n HIS 29 Cb 0.57 -2.28 0.12 0.00 1.12 0.00 0.00 29.99 29.52 1yit n HIS 29 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1yit s ARG 30 N -2.88 1.41 0.24 -0.41 0.52 -1.26 -4.75 118.95 111.83 1yit s ARG 30 Ca 0.74 0.29 0.09 0.00 -0.52 0.00 0.00 55.73 56.33 1yit s ARG 30 Cb -0.42 -1.87 -0.04 0.00 0.52 0.00 0.00 34.95 33.14 1yit s ARG 30 CO 0.48 -2.01 -0.02 0.15 0.02 0.00 0.00 175.30 173.91 1yit s LYS 31 N -5.32 2.25 -0.19 3.54 1.02 -1.26 -5.03 119.74 114.74 1yit s LYS 31 Ca 0.63 -1.37 -0.09 0.00 0.02 0.00 0.00 55.97 55.15 1yit s LYS 31 Cb -0.14 -2.17 0.07 0.00 -0.52 0.00 0.00 37.83 35.07 1yit s LYS 31 CO 0.53 0.38 0.45 0.08 -0.92 0.00 0.00 175.35 175.87 1yit s VAL 32 N -2.18 -0.25 0.33 3.17 1.01 -1.26 -5.02 120.40 116.20 1yit s VAL 32 Ca 0.30 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.46 1yit s VAL 32 Cb -0.07 -0.68 0.39 0.00 0.00 0.00 0.00 36.38 36.02 1yit s VAL 32 CO 0.19 0.04 1.57 -0.33 0.00 0.00 0.00 175.10 176.58 1yit h GLU 33 N 7.46 0.01 0.00 2.72 3.07 -2.01 -3.46 114.58 122.37 1yit h GLU 33 Ca -0.29 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 1yit h GLU 33 Cb 1.16 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 1yit h GLU 33 CO 0.22 0.00 0.00 -3.47 -1.40 0.00 0.00 179.01 174.36 1yit n ASP 34 N -5.41 0.00 0.00 1.42 -0.08 -1.26 -5.06 116.55 106.16 1yit n ASP 34 Ca 0.28 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 1yit n ASP 34 Cb 0.94 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.40 1yit n ASP 34 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1yit n GLY 35 N 0.00 0.98 0.00 0.27 0.00 -1.26 -4.19 105.19 100.99 1yit n GLY 35 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1yit n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yit n ASP 36 N 2.48 0.00 0.02 1.61 2.03 -1.26 -4.34 116.55 117.09 1yit n ASP 36 Ca 0.00 0.00 0.17 0.00 0.52 0.00 0.00 54.79 55.48 1yit n ASP 36 Cb 0.00 0.00 0.31 0.00 -0.72 0.00 0.00 41.12 40.71 1yit n ASP 36 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1yit h VAL 37 N 0.00 0.02 -3.38 5.18 -1.51 -1.81 -3.39 116.25 111.36 1yit h VAL 37 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 66.70 64.94 1yit h VAL 37 Cb 0.00 0.07 0.07 0.00 -2.13 0.00 0.00 31.29 29.29 1yit h VAL 37 CO 0.00 0.00 0.80 -0.63 -1.23 0.00 0.00 177.57 176.51 1yit s ILE 38 N -4.27 2.45 -0.01 7.19 -1.09 -1.26 -4.98 121.20 119.23 1yit s ILE 38 Ca -0.02 0.38 -0.28 0.00 -2.23 0.00 0.00 60.65 58.50 1yit s ILE 38 Cb 0.09 -3.25 0.09 0.00 -1.58 0.00 0.00 42.46 37.81 1yit s ILE 38 CO 0.30 0.06 0.77 0.00 -1.23 0.00 0.00 174.94 174.84 1yit s ALA 39 N -0.04 -1.78 0.32 9.38 0.00 -1.26 -1.69 121.76 126.69 1yit s ALA 39 Ca 0.60 1.12 -0.05 0.00 0.00 0.00 0.00 51.96 53.63 1yit s ALA 39 Cb -0.44 0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.85 1yit s ALA 39 CO 0.45 -0.52 0.51 0.41 0.00 0.00 0.00 175.76 176.62 1yit n GLY 40 N 0.33 1.88 3.15 0.00 0.00 -0.48 -2.05 105.19 108.02 1yit n GLY 40 Ca -0.15 -1.48 -0.28 0.00 0.00 0.00 0.00 46.02 44.11 1yit n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yit s THR 41 N -2.61 1.63 0.15 2.61 2.01 0.13 -1.39 115.64 118.17 1yit s THR 41 Ca 0.22 -0.80 -0.31 0.00 0.31 0.00 0.00 61.69 61.11 1yit s THR 41 Cb -0.02 -1.42 -0.10 0.00 0.01 0.00 0.00 72.50 70.97 1yit s THR 41 CO 0.16 0.46 1.65 -0.69 -0.69 0.00 0.00 174.62 175.52 1yit s VAL 42 N 0.23 2.56 -0.19 3.82 1.01 -0.19 -1.65 120.40 126.00 1yit s VAL 42 Ca -0.10 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.22 1yit s VAL 42 Cb -0.15 -3.20 -0.14 0.00 0.00 0.00 0.00 36.38 32.90 1yit s VAL 42 CO 0.05 0.02 -0.14 0.52 0.00 0.00 0.00 175.10 175.55 1yit n VAL 43 N 4.21 1.10 -3.73 2.92 0.31 0.12 -0.88 118.33 122.39 1yit n VAL 43 Ca 0.15 -0.46 -0.10 0.00 -0.01 0.00 0.00 64.34 63.92 1yit n VAL 43 Cb 0.38 -1.10 -0.04 0.00 -0.91 0.00 0.00 33.84 32.18 1yit n VAL 43 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1yit s ASP 44 N -5.73 -0.26 -0.26 4.52 -1.08 -1.18 -4.81 116.67 107.87 1yit s ASP 44 Ca -0.23 -0.46 0.03 0.00 -0.52 0.00 0.00 52.55 51.36 1yit s ASP 44 Cb 0.06 0.57 0.06 0.00 -1.46 0.00 0.00 42.92 42.16 1yit s ASP 44 CO 0.48 -1.03 -0.08 -0.63 0.52 0.00 0.00 175.17 174.43 1yit s ILE 45 N -3.87 2.02 0.39 4.11 -1.09 -1.26 -0.15 121.20 121.35 1yit s ILE 45 Ca 0.09 -1.61 0.08 0.00 -2.23 0.00 0.00 60.65 56.98 1yit s ILE 45 Cb -0.01 -2.20 -0.02 0.00 -1.58 0.00 0.00 42.46 38.65 1yit s ILE 45 CO -0.04 -0.11 0.34 -1.61 -1.23 0.00 0.00 174.94 172.30 1yit s GLU 46 N 1.16 2.58 -0.07 2.79 2.02 0.65 -4.91 118.70 122.91 1yit s GLU 46 Ca -0.06 -1.47 -0.17 0.00 0.02 0.00 0.00 54.97 53.28 1yit s GLU 46 Cb -0.20 -2.39 -0.05 0.00 0.10 0.00 0.00 34.13 31.59 1yit s GLU 46 CO -0.06 -0.10 0.46 -1.58 0.02 0.00 0.00 175.26 174.01 1yit s HIS 47 N -2.43 3.59 -0.38 1.61 5.65 -1.26 -0.30 115.29 121.77 1yit s HIS 47 Ca 0.46 0.94 -0.12 0.00 0.25 0.00 0.00 55.06 56.59 1yit s HIS 47 Cb -0.04 -2.48 0.02 0.00 -1.18 0.00 0.00 32.58 28.90 1yit s HIS 47 CO 0.27 0.32 0.23 0.34 -0.65 0.00 0.00 174.74 175.25 1yit s ASP 48 N 0.07 5.82 0.64 9.88 2.15 -0.30 -4.86 116.67 130.08 1yit s ASP 48 Ca 0.25 -0.94 0.38 0.00 0.43 0.00 0.00 52.55 52.68 1yit s ASP 48 Cb -0.16 -2.06 2.12 0.00 -0.30 0.00 0.00 42.92 42.52 1yit s ASP 48 CO 0.12 -0.39 2.27 -0.65 -0.17 0.00 0.00 175.17 176.35 1yit h PRO 49 N 8.48 0.00 0.00 4.34 0.11 -1.89 0.88 132.00 143.92 1yit h PRO 49 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1yit h PRO 49 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1yit h PRO 49 CO 0.68 0.00 -0.76 0.00 -0.21 0.00 0.00 178.00 177.71 1yit h ALA 50 N 1.90 0.57 0.00 -0.75 0.00 -1.92 -3.40 119.26 115.67 1yit h ALA 50 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1yit h ALA 50 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1yit h ALA 50 CO -0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1yit n ARG 51 N -2.45 0.35 -3.46 0.00 1.74 -0.88 -5.02 116.66 106.94 1yit n ARG 51 Ca 0.02 -0.17 -0.25 0.00 -0.77 0.00 0.00 57.85 56.68 1yit n ARG 51 Cb 0.50 -0.60 0.02 0.00 -1.02 0.00 0.00 32.46 31.35 1yit n ARG 51 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1yit n SER 52 N -0.10 -4.85 -4.09 0.55 7.64 0.25 -4.76 113.62 108.26 1yit n SER 52 Ca 0.00 -0.50 -0.08 0.00 1.01 0.00 0.00 58.87 59.30 1yit n SER 52 Cb 0.11 -3.92 -0.10 0.00 -1.01 0.00 0.00 64.21 59.29 1yit n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yit s ALA 53 N -3.13 0.54 0.50 -0.43 0.00 -1.24 -4.97 121.76 113.04 1yit s ALA 53 Ca 0.47 -1.23 -0.18 0.00 0.00 0.00 0.00 51.96 51.02 1yit s ALA 53 Cb -0.23 0.48 -0.08 0.00 0.00 0.00 0.00 23.12 23.29 1yit s ALA 53 CO 0.58 -0.42 0.99 -1.25 0.00 0.00 0.00 175.76 175.66 1yit s PRO 54 N -3.95 3.93 0.02 0.00 0.04 -1.26 -1.15 135.00 132.62 1yit s PRO 54 Ca 0.12 1.04 0.04 0.00 0.04 0.00 0.00 61.00 62.24 1yit s PRO 54 Cb 0.07 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 1yit s PRO 54 CO -0.06 -0.29 -0.12 0.54 0.04 0.00 0.00 177.00 177.11 1yit s VAL 55 N -2.48 0.93 -0.17 -0.36 0.11 0.59 -3.92 120.40 115.10 1yit s VAL 55 Ca 0.60 -0.75 -0.07 0.00 -2.93 0.00 0.00 61.98 58.83 1yit s VAL 55 Cb -0.11 -0.83 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 1yit s VAL 55 CO 0.27 0.08 0.07 0.00 -3.33 0.00 0.00 175.10 172.19 1yit s ALA 56 N -0.61 3.45 -0.18 1.54 0.00 -0.51 -0.25 121.76 125.20 1yit s ALA 56 Ca 0.02 -0.74 -0.26 0.00 0.00 0.00 0.00 51.96 50.98 1yit s ALA 56 Cb -0.06 -1.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.14 1yit s ALA 56 CO 0.00 0.24 0.89 0.00 0.00 0.00 0.00 175.76 176.89 1yit s ALA 57 N 0.18 3.54 0.04 0.00 0.00 0.79 -0.19 121.76 126.12 1yit s ALA 57 Ca 0.05 0.09 0.08 0.00 0.00 0.00 0.00 51.96 52.17 1yit s ALA 57 Cb -0.12 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1yit s ALA 57 CO 0.00 -0.73 -0.23 0.08 0.00 0.00 0.00 175.76 174.89 1yit s VAL 58 N 2.35 1.82 -0.19 0.00 1.01 -0.63 0.12 120.40 124.87 1yit s VAL 58 Ca 0.40 -1.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 1yit s VAL 58 Cb -0.16 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.66 1yit s VAL 58 CO 0.12 0.29 -0.15 -1.61 0.00 0.00 0.00 175.10 173.76 1yit s GLU 59 N -1.10 3.14 0.46 2.72 2.02 -0.66 -2.46 118.70 122.83 1yit s GLU 59 Ca 0.09 -0.76 0.03 0.00 0.02 0.00 0.00 54.97 54.35 1yit s GLU 59 Cb -0.09 -2.71 0.01 0.00 0.10 0.00 0.00 34.13 31.44 1yit s GLU 59 CO 0.01 -0.17 0.66 -0.06 0.02 0.00 0.00 175.26 175.72 1yit s PHE 60 N 1.28 3.02 0.27 1.61 0.40 -0.84 0.17 117.98 123.90 1yit s PHE 60 Ca 0.04 -0.01 -0.01 0.00 -0.60 0.00 0.00 56.93 56.35 1yit s PHE 60 Cb -0.14 -2.43 0.48 0.00 0.51 0.00 0.00 43.02 41.44 1yit s PHE 60 CO -0.08 -0.50 1.86 0.93 0.70 0.00 0.00 175.22 178.13 1yit h GLU 61 N 0.39 1.05 -1.02 0.44 5.08 -1.76 -0.04 114.58 118.71 1yit h GLU 61 Ca -0.44 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1yit h GLU 61 Cb 1.27 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1yit h GLU 61 CO 0.53 0.69 0.00 -0.40 -1.00 0.00 0.00 179.01 178.84 1yit n ASP 62 N -4.57 2.53 -1.98 1.42 5.75 -1.26 -4.80 116.55 113.64 1yit n ASP 62 Ca 0.17 -1.94 -0.16 0.00 -0.01 0.00 0.00 54.79 52.85 1yit n ASP 62 Cb 0.27 -0.49 -0.03 0.00 -1.03 0.00 0.00 41.12 39.84 1yit n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yit n GLY 63 N 0.42 0.41 3.65 6.12 0.00 -0.03 -4.95 105.19 110.81 1yit n GLY 63 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1yit n GLY 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yit s ASP 64 N -2.17 6.67 -0.30 1.61 -1.08 -1.24 -4.86 116.67 115.29 1yit s ASP 64 Ca 0.00 0.82 -0.10 0.00 -0.52 0.00 0.00 52.55 52.75 1yit s ASP 64 Cb 0.00 -2.35 -0.01 0.00 -1.46 0.00 0.00 42.92 39.10 1yit s ASP 64 CO 0.00 -0.31 0.15 -0.60 0.52 0.00 0.00 175.17 174.94 1yit s ARG 65 N 2.08 3.43 0.01 4.34 6.06 -1.26 -1.99 118.95 131.62 1yit s ARG 65 Ca 0.28 -0.66 -0.12 0.00 -2.50 0.00 0.00 55.73 52.74 1yit s ARG 65 Cb -0.16 -3.57 0.01 0.00 0.06 0.00 0.00 34.95 31.30 1yit s ARG 65 CO 0.10 -0.38 0.24 1.03 -2.50 0.00 0.00 175.30 173.80 1yit s ARG 66 N 1.64 0.64 0.26 5.12 0.52 -1.03 -5.02 118.95 121.08 1yit s ARG 66 Ca 0.05 -0.36 -0.16 0.00 -0.52 0.00 0.00 55.73 54.74 1yit s ARG 66 Cb -0.17 0.28 -0.08 0.00 0.52 0.00 0.00 34.95 35.49 1yit s ARG 66 CO 0.07 -0.18 0.70 -0.51 0.02 0.00 0.00 175.30 175.40 1yit s LEU 67 N -1.55 4.20 0.11 2.53 1.43 -1.26 -1.61 118.68 122.53 1yit s LEU 67 Ca -0.12 1.29 0.06 0.00 -1.03 0.00 0.00 54.13 54.33 1yit s LEU 67 Cb -0.05 -3.80 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 1yit s LEU 67 CO 0.01 -0.08 -0.14 -0.51 0.23 0.00 0.00 176.35 175.86 1yit s ILE 68 N -1.75 1.28 -0.90 -0.59 2.07 0.73 -4.69 121.20 117.35 1yit s ILE 68 Ca 0.48 -1.66 -0.25 0.00 -1.41 0.00 0.00 60.65 57.82 1yit s ILE 68 Cb -0.13 -1.46 -0.07 0.00 0.13 0.00 0.00 42.46 40.93 1yit s ILE 68 CO 0.19 -0.40 2.02 -0.22 -1.91 0.00 0.00 174.94 174.62 1yit s LEU 69 N -2.36 3.11 -0.11 8.50 1.98 -1.26 -1.43 118.68 127.11 1yit s LEU 69 Ca 0.07 -0.61 -0.30 0.00 -2.89 0.00 0.00 54.13 50.41 1yit s LEU 69 Cb -0.05 -2.56 -0.08 0.00 0.66 0.00 0.00 46.19 44.16 1yit s LEU 69 CO 0.03 -2.96 2.09 0.00 -1.89 0.00 0.00 176.35 173.62 1yit n ALA 70 N 14.80 1.59 -1.56 5.97 0.00 -1.25 -4.92 120.51 135.14 1yit n ALA 70 Ca 0.41 -0.01 -0.15 0.00 0.00 0.00 0.00 53.44 53.70 1yit n ALA 70 Cb 0.46 -2.77 0.15 0.00 0.00 0.00 0.00 19.45 17.29 1yit n ALA 70 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1yit n PRO 71 N 8.06 -1.21 -3.09 0.00 -0.02 -1.26 -1.82 135.00 135.66 1yit n PRO 71 Ca 0.26 -1.44 -0.35 0.00 -2.02 0.00 0.00 63.50 59.95 1yit n PRO 71 Cb 0.41 -1.01 -0.06 0.00 -0.02 0.00 0.00 33.50 32.81 1yit n PRO 71 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1yit s GLU 72 N -5.03 4.20 0.00 -0.52 2.12 0.18 -4.07 118.70 115.58 1yit s GLU 72 Ca 0.53 0.85 0.00 0.00 0.36 0.00 0.00 54.97 56.71 1yit s GLU 72 Cb -0.02 -2.74 0.00 0.00 0.26 0.00 0.00 34.13 31.63 1yit s GLU 72 CO 0.38 0.31 0.00 0.41 -0.54 0.00 0.00 175.26 175.82 1yit n GLY 73 N 0.39 3.10 3.68 -1.50 0.00 -1.26 -4.81 105.19 104.78 1yit n GLY 73 Ca -0.00 -0.92 -0.47 0.00 0.00 0.00 0.00 46.02 44.62 1yit n GLY 73 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1yit n VAL 74 N 0.00 0.30 -4.44 1.61 0.31 -1.26 -4.99 118.33 109.87 1yit n VAL 74 Ca 0.00 -0.05 -0.21 0.00 -0.01 0.00 0.00 64.34 64.06 1yit n VAL 74 Cb 0.00 -1.72 -0.11 0.00 -0.91 0.00 0.00 33.84 31.10 1yit n VAL 74 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1yit s GLY 75 N 2.52 2.01 0.45 2.92 0.00 -1.26 -5.01 107.32 108.94 1yit s GLY 75 Ca 0.86 -2.02 -0.25 0.00 0.00 0.00 0.00 44.72 43.30 1yit s GLY 75 CO 0.44 -1.81 1.43 0.14 0.00 0.00 0.00 173.10 173.31 1yit s VAL 76 N -3.27 2.08 0.00 1.40 1.01 -1.26 -2.52 120.40 117.84 1yit s VAL 76 Ca 0.35 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1yit s VAL 76 Cb 0.08 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1yit s VAL 76 CO 0.15 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.87 1yit n GLY 77 N 0.57 2.90 3.25 4.51 0.00 -0.06 -4.98 105.19 111.38 1yit n GLY 77 Ca 0.05 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 1yit n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yit n ASP 78 N 1.44 -3.52 -4.31 1.61 9.92 -1.05 -4.43 116.55 116.21 1yit n ASP 78 Ca 0.00 0.47 -0.32 0.00 -0.53 0.00 0.00 54.79 54.41 1yit n ASP 78 Cb 0.00 -0.96 -0.16 0.00 -0.64 0.00 0.00 41.12 39.36 1yit n ASP 78 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1yit s GLU 79 N -2.04 2.89 0.28 -1.24 2.12 -1.26 -1.02 118.70 118.42 1yit s GLU 79 Ca 0.54 -0.81 0.11 0.00 0.36 0.00 0.00 54.97 55.17 1yit s GLU 79 Cb -0.33 -2.35 -0.05 0.00 0.26 0.00 0.00 34.13 31.66 1yit s GLU 79 CO 0.69 0.32 -0.10 -0.51 -0.54 0.00 0.00 175.26 175.12 1yit s LEU 80 N 0.02 2.86 0.08 2.70 1.43 -0.49 -4.98 118.68 120.31 1yit s LEU 80 Ca -0.07 -0.89 0.03 0.00 -1.03 0.00 0.00 54.13 52.17 1yit s LEU 80 Cb -0.15 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 1yit s LEU 80 CO 0.05 -0.01 -0.10 -1.10 0.23 0.00 0.00 176.35 175.42 1yit s GLN 81 N -3.60 0.75 -0.15 1.70 -0.21 -1.26 -1.39 119.66 115.50 1yit s GLN 81 Ca 0.31 -1.03 -0.03 0.00 0.02 0.00 0.00 55.36 54.62 1yit s GLN 81 Cb -0.05 -0.46 0.05 0.00 1.00 0.00 0.00 33.01 33.55 1yit s GLN 81 CO 0.17 0.07 0.06 0.08 -2.12 0.00 0.00 175.29 173.56 1yit s VAL 82 N -2.11 0.15 0.00 1.09 1.01 -0.68 -1.69 120.40 118.17 1yit s VAL 82 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1yit s VAL 82 Cb -0.05 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1yit s VAL 82 CO -0.00 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.58 1yit n GLY 83 N 5.20 1.83 0.31 4.51 0.00 -0.76 -3.99 105.19 112.29 1yit n GLY 83 Ca -0.07 -1.10 0.20 0.00 0.00 0.00 0.00 46.02 45.05 1yit n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1yit h VAL 84 N 1.18 0.00 -0.01 1.61 2.07 -1.87 -2.28 116.25 116.96 1yit h VAL 84 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1yit h VAL 84 Cb 0.00 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1yit h VAL 84 CO 0.00 0.00 -0.06 -1.20 0.02 0.00 0.00 177.57 176.33 1yit n SER 85 N -2.92 1.54 -4.39 0.57 7.64 -1.26 -4.90 113.62 109.89 1yit n SER 85 Ca -0.03 -1.27 -0.37 0.00 1.01 0.00 0.00 58.87 58.21 1yit n SER 85 Cb 0.10 0.16 0.05 0.00 -1.01 0.00 0.00 64.21 63.51 1yit n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yit n ALA 86 N 0.24 -1.99 -1.13 -0.43 0.00 -0.86 -4.91 120.51 111.44 1yit n ALA 86 Ca 0.05 -0.18 -0.31 0.00 0.00 0.00 0.00 53.44 53.00 1yit n ALA 86 Cb 0.21 -1.71 0.11 0.00 0.00 0.00 0.00 19.45 18.06 1yit n ALA 86 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1yit s GLU 87 N -2.19 1.94 -1.20 0.00 2.02 -1.26 -4.93 118.70 113.07 1yit s GLU 87 Ca 0.63 1.36 -0.05 0.00 0.02 0.00 0.00 54.97 56.92 1yit s GLU 87 Cb -0.39 -1.85 0.21 0.00 0.10 0.00 0.00 34.13 32.20 1yit s GLU 87 CO 0.60 -1.91 1.95 -0.89 0.02 0.00 0.00 175.26 175.03 1yit n ILE 88 N -3.54 5.19 -4.43 -1.63 5.41 -1.26 -4.80 119.36 114.30 1yit n ILE 88 Ca 0.10 -5.01 -0.21 0.00 1.00 0.00 0.00 62.75 58.63 1yit n ILE 88 Cb 0.52 -2.05 -0.10 0.00 -0.71 0.00 0.00 39.64 37.30 1yit n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1yit s ALA 89 N -1.71 2.34 0.32 -1.39 0.00 -1.26 -5.11 121.76 114.96 1yit s ALA 89 Ca 0.42 -1.93 -0.29 0.00 0.00 0.00 0.00 51.96 50.16 1yit s ALA 89 Cb 0.13 0.27 -0.11 0.00 0.00 0.00 0.00 23.12 23.42 1yit s ALA 89 CO -0.03 -0.12 1.44 -2.14 0.00 0.00 0.00 175.76 174.91 1yit s PRO 90 N -3.76 4.22 0.00 0.00 0.02 -1.26 -2.94 135.00 131.28 1yit s PRO 90 Ca 0.31 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.74 1yit s PRO 90 Cb 0.05 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.53 1yit s PRO 90 CO 0.12 -0.42 0.00 0.41 -0.33 0.00 0.00 177.00 176.78 1yit n GLY 91 N 1.19 2.56 3.82 0.52 0.00 -0.84 -4.93 105.19 107.51 1yit n GLY 91 Ca 0.03 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1yit n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yit s ASN 92 N 0.52 6.82 -0.11 1.61 -0.87 -1.15 -4.69 114.94 117.07 1yit s ASN 92 Ca 0.00 1.69 0.02 0.00 -1.57 0.00 0.00 52.86 53.00 1yit s ASN 92 Cb 0.00 -2.54 0.01 0.00 -0.02 0.00 0.00 41.25 38.71 1yit s ASN 92 CO 0.00 -0.45 -0.18 -0.89 -2.57 0.00 0.00 177.10 173.01 1yit s THR 93 N -2.26 1.69 0.00 1.60 2.01 -0.68 -2.14 115.64 115.88 1yit s THR 93 Ca 0.62 -0.77 -0.23 0.00 0.31 0.00 0.00 61.69 61.61 1yit s THR 93 Cb -0.10 -1.51 0.05 0.00 0.01 0.00 0.00 72.50 70.95 1yit s THR 93 CO 0.17 0.48 0.52 -1.48 -0.69 0.00 0.00 174.62 173.62 1yit s LEU 94 N 0.78 -0.02 0.42 4.42 2.34 -0.81 -1.83 118.68 123.99 1yit s LEU 94 Ca -0.10 0.31 -0.22 0.00 0.06 0.00 0.00 54.13 54.18 1yit s LEU 94 Cb -0.16 2.04 -0.13 0.00 -0.56 0.00 0.00 46.19 47.38 1yit s LEU 94 CO 0.01 -0.62 0.46 -0.81 -1.06 0.00 0.00 176.35 174.33 1yit n PRO 95 N 0.75 0.46 -0.11 1.48 -0.04 -1.26 -2.88 135.00 133.40 1yit n PRO 95 Ca -0.19 0.17 0.22 0.00 -0.04 0.00 0.00 63.50 63.66 1yit n PRO 95 Cb 0.58 -1.41 0.66 0.00 -0.04 0.00 0.00 33.50 33.29 1yit n PRO 95 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1yit h LEU 96 N 0.69 0.09 -0.15 1.53 3.38 -0.39 -1.36 115.31 119.09 1yit h LEU 96 Ca -0.40 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.60 1yit h LEU 96 Cb 1.41 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 1yit h LEU 96 CO 0.50 0.04 0.04 0.00 0.09 0.00 0.00 178.44 179.12 1yit h ALA 97 N 1.65 0.16 0.00 1.53 0.00 -1.24 -1.74 119.26 119.62 1yit h ALA 97 Ca 0.35 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1yit h ALA 97 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1yit h ALA 97 CO -0.04 -0.40 0.00 0.39 0.00 0.00 0.00 179.25 179.20 1yit n GLU 98 N -5.07 0.71 -3.56 0.00 -0.58 -0.52 -4.74 120.64 106.88 1yit n GLU 98 Ca -0.04 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.34 1yit n GLU 98 Cb 0.07 -1.45 -0.07 0.00 -0.57 0.00 0.00 31.44 29.41 1yit n GLU 98 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1yit s ILE 99 N -2.00 5.30 0.24 -3.67 -1.09 -0.65 -5.00 121.20 114.33 1yit s ILE 99 Ca 0.31 0.53 -0.30 0.00 -2.23 0.00 0.00 60.65 58.97 1yit s ILE 99 Cb 0.14 -3.62 -0.09 0.00 -1.58 0.00 0.00 42.46 37.31 1yit s ILE 99 CO 0.24 0.41 1.32 -2.16 -1.23 0.00 0.00 174.94 173.53 1yit s PRO 100 N 0.30 4.37 0.74 2.79 0.04 -1.26 -4.97 135.00 137.01 1yit s PRO 100 Ca 0.16 2.12 -0.16 0.00 0.04 0.00 0.00 61.00 63.17 1yit s PRO 100 Cb -0.13 -3.15 0.02 0.00 0.04 0.00 0.00 34.50 31.28 1yit s PRO 100 CO 0.04 -0.25 1.06 0.39 0.04 0.00 0.00 177.00 178.28 1yit n GLU 101 N 2.17 0.50 -1.03 4.56 1.02 -1.26 -3.11 120.64 123.48 1yit n GLU 101 Ca 0.05 0.23 -0.01 0.00 -0.02 0.00 0.00 57.16 57.41 1yit n GLU 101 Cb 0.42 -2.31 -0.00 0.00 -0.02 0.00 0.00 31.44 29.53 1yit n GLU 101 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yit n GLY 102 N 0.95 0.45 3.21 0.62 0.00 -0.26 -5.01 105.19 105.15 1yit n GLY 102 Ca 0.13 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 1yit n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yit s VAL 103 N -2.03 2.62 0.21 1.61 1.01 -1.18 -4.97 120.40 117.66 1yit s VAL 103 Ca 0.00 -0.76 -0.32 0.00 0.00 0.00 0.00 61.98 60.90 1yit s VAL 103 Cb 0.00 -2.14 -0.13 0.00 0.00 0.00 0.00 36.38 34.11 1yit s VAL 103 CO 0.00 0.50 1.61 -2.65 0.00 0.00 0.00 175.10 174.56 1yit n PRO 104 N 4.57 2.46 -4.19 2.72 -0.02 -1.26 -3.65 135.00 135.64 1yit n PRO 104 Ca -0.20 0.88 -0.14 0.00 -2.02 0.00 0.00 63.50 62.03 1yit n PRO 104 Cb 0.51 -2.67 -0.11 0.00 -0.02 0.00 0.00 33.50 31.21 1yit n PRO 104 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1yit s VAL 105 N 0.74 0.93 0.14 -1.45 1.01 -0.99 -0.63 120.40 120.15 1yit s VAL 105 Ca 0.74 -1.75 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 1yit s VAL 105 Cb -0.58 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1yit s VAL 105 CO 0.39 -0.64 0.03 0.00 0.00 0.00 0.00 175.10 174.88 1yit n ASN 107 N -0.12 -2.37 -4.78 0.00 5.15 0.44 -1.20 115.26 112.37 1yit n ASN 107 Ca -0.06 -0.90 -0.37 0.00 -0.60 0.00 0.00 54.58 52.65 1yit n ASN 107 Cb 0.63 -3.78 -0.05 0.00 -0.53 0.00 0.00 39.78 36.05 1yit n ASN 107 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1yit s VAL 108 N -3.66 3.89 0.38 3.44 1.01 -0.16 -4.29 120.40 121.02 1yit s VAL 108 Ca 0.15 1.53 -0.15 0.00 0.00 0.00 0.00 61.98 63.50 1yit s VAL 108 Cb -0.04 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 1yit s VAL 108 CO 0.83 0.08 0.81 -1.61 0.00 0.00 0.00 175.10 175.22 1yit s GLU 109 N -2.24 4.00 -0.17 2.72 2.02 -0.73 0.87 118.70 125.17 1yit s GLU 109 Ca 0.54 0.75 0.15 0.00 0.02 0.00 0.00 54.97 56.43 1yit s GLU 109 Cb -0.21 -2.34 -0.24 0.00 0.10 0.00 0.00 34.13 31.44 1yit s GLU 109 CO 0.27 0.03 0.20 0.45 0.02 0.00 0.00 175.26 176.23 1yit n SER 110 N -0.75 0.39 -3.84 -0.19 2.88 -1.26 -4.82 113.62 106.03 1yit n SER 110 Ca 0.04 0.09 -0.23 0.00 -1.33 0.00 0.00 58.87 57.45 1yit n SER 110 Cb 0.54 0.61 -0.17 0.00 -0.75 0.00 0.00 64.21 64.44 1yit n SER 110 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1yit s SER 111 N -5.74 1.46 -0.07 -3.46 0.15 -1.26 -4.85 113.70 99.94 1yit s SER 111 Ca -0.11 -0.13 -0.40 0.00 0.70 0.00 0.00 55.95 56.01 1yit s SER 111 Cb 0.07 -0.51 -0.18 0.00 -1.71 0.00 0.00 66.02 63.69 1yit s SER 111 CO 0.81 -0.13 1.34 -0.81 1.20 0.00 0.00 173.24 175.65 1yit n PRO 112 N 4.73 0.63 -0.59 5.44 -0.04 -1.26 -1.13 135.00 142.79 1yit n PRO 112 Ca -0.14 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1yit n PRO 112 Cb 0.50 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 1yit n PRO 112 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yit n GLY 113 N 2.61 0.75 0.04 0.55 0.00 -1.26 -4.93 105.19 102.95 1yit n GLY 113 Ca 0.22 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.38 1yit n GLY 113 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yit n ASP 114 N 0.00 0.16 0.00 1.61 5.68 -0.28 -4.92 116.55 118.79 1yit n ASP 114 Ca 0.00 -0.34 0.00 0.00 -0.50 0.00 0.00 54.79 53.95 1yit n ASP 114 Cb 0.00 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 1yit n ASP 114 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1yit n GLY 115 N 1.27 0.68 0.00 6.12 0.00 -1.26 -4.90 105.19 107.10 1yit n GLY 115 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1yit n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yit n GLY 116 N -2.59 1.72 1.81 -0.02 0.00 -1.26 -2.00 105.19 102.85 1yit n GLY 116 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.57 1yit n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yit n LYS 117 N 2.46 0.00 -2.83 1.61 4.76 0.25 -4.88 118.16 119.54 1yit n LYS 117 Ca 0.00 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.12 1yit n LYS 117 Cb 0.00 -0.10 -0.05 0.00 -1.84 0.00 0.00 35.03 33.04 1yit n LYS 117 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1yit s PHE 118 N -2.00 3.38 -0.39 2.13 0.40 -0.58 -4.65 117.98 116.27 1yit s PHE 118 Ca 0.00 1.38 -0.27 0.00 -0.60 0.00 0.00 56.93 57.44 1yit s PHE 118 Cb 0.00 -2.68 0.04 0.00 0.51 0.00 0.00 43.02 40.89 1yit s PHE 118 CO 0.00 -0.10 0.55 0.00 0.70 0.00 0.00 175.22 176.37 1yit n ALA 119 N -0.86 -2.55 -2.09 5.36 0.00 -1.26 -0.99 120.51 118.12 1yit n ALA 119 Ca 0.05 0.58 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1yit n ALA 119 Cb 0.54 -2.50 -0.00 0.00 0.00 0.00 0.00 19.45 17.49 1yit n ALA 119 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1yit n ARG 120 N -0.03 0.00 -3.17 0.00 1.85 -1.26 0.17 116.66 114.21 1yit n ARG 120 Ca -0.01 -0.98 -0.19 0.00 -1.00 0.00 0.00 57.85 55.66 1yit n ARG 120 Cb 0.56 -0.25 0.01 0.00 -1.05 0.00 0.00 32.46 31.73 1yit n ARG 120 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1yit s ALA 121 N 0.00 4.20 -0.12 2.89 0.00 -1.26 -5.01 121.76 122.46 1yit s ALA 121 Ca 0.06 -1.44 -0.39 0.00 0.00 0.00 0.00 51.96 50.20 1yit s ALA 121 Cb 0.07 -1.78 -0.16 0.00 0.00 0.00 0.00 23.12 21.25 1yit s ALA 121 CO -0.03 -0.24 1.57 0.43 0.00 0.00 0.00 175.76 177.49 1yit n SER 122 N -1.85 2.06 0.00 0.00 7.64 -1.26 -2.49 113.62 117.72 1yit n SER 122 Ca 0.03 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1yit n SER 122 Cb 0.58 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 1yit n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yit n GLY 123 N 3.48 1.13 3.53 0.23 0.00 -0.85 -4.63 105.19 108.07 1yit n GLY 123 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 1yit n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yit s VAL 124 N -0.58 1.67 -0.22 1.61 -7.23 -1.04 -4.40 120.40 110.22 1yit s VAL 124 Ca 0.00 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 59.86 1yit s VAL 124 Cb 0.00 -2.34 0.16 0.00 0.56 0.00 0.00 36.38 34.76 1yit s VAL 124 CO 0.00 0.00 1.19 0.54 -0.31 0.00 0.00 175.10 176.52 1yit s ASN 125 N -3.44 -0.18 0.70 4.85 2.20 -1.26 -1.74 114.94 116.07 1yit s ASN 125 Ca 0.69 0.15 0.01 0.00 -0.94 0.00 0.00 52.86 52.77 1yit s ASN 125 Cb -0.15 0.16 0.13 0.00 -2.00 0.00 0.00 41.25 39.39 1yit s ASN 125 CO 0.58 -0.20 0.92 0.00 -2.94 0.00 0.00 177.10 175.46 1yit n ALA 126 N 0.44 0.32 -3.54 3.54 0.00 0.53 -3.94 120.51 117.86 1yit n ALA 126 Ca -0.04 -1.86 -0.20 0.00 0.00 0.00 0.00 53.44 51.34 1yit n ALA 126 Cb 0.58 0.34 -0.14 0.00 0.00 0.00 0.00 19.45 20.23 1yit n ALA 126 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1yit s GLN 127 N -4.88 0.14 0.04 0.00 2.00 -0.63 -2.35 119.66 113.97 1yit s GLN 127 Ca 0.62 0.15 -0.30 0.00 -2.00 0.00 0.00 55.36 53.82 1yit s GLN 127 Cb -0.04 -1.31 -0.05 0.00 0.80 0.00 0.00 33.01 32.41 1yit s GLN 127 CO 0.41 -0.63 1.16 -1.17 -0.50 0.00 0.00 175.29 174.56 1yit s LEU 128 N 2.27 4.36 0.04 3.68 2.96 -1.24 -0.64 118.68 130.11 1yit s LEU 128 Ca 0.05 1.94 -0.01 0.00 -0.22 0.00 0.00 54.13 55.89 1yit s LEU 128 Cb -0.15 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.96 1yit s LEU 128 CO -0.11 -0.44 -0.02 0.18 -1.32 0.00 0.00 176.35 174.65 1yit n LEU 129 N 3.99 0.61 -4.73 -0.68 4.77 -0.60 -1.10 117.00 119.26 1yit n LEU 129 Ca 0.08 0.08 -0.35 0.00 -0.03 0.00 0.00 56.01 55.79 1yit n LEU 129 Cb 0.47 -0.21 -0.08 0.00 -2.33 0.00 0.00 43.42 41.26 1yit n LEU 129 CO 0.55 -0.61 -0.25 -0.89 -1.33 0.00 0.00 177.39 174.86 1yit s THR 130 N -1.55 4.83 0.42 -5.08 2.01 -1.14 -4.54 115.64 110.59 1yit s THR 130 Ca -0.01 -0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.02 1yit s THR 130 Cb 0.00 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 1yit s THR 130 CO 0.02 0.57 0.39 -1.00 -0.69 0.00 0.00 174.62 173.91 1yit s HIS 131 N -0.55 2.69 0.00 4.92 3.76 -1.26 -1.92 115.29 122.93 1yit s HIS 131 Ca 0.11 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.52 1yit s HIS 131 Cb -0.12 -2.18 0.00 0.00 1.11 0.00 0.00 32.58 31.39 1yit s HIS 131 CO 0.02 -0.15 0.00 -3.47 -0.85 0.00 0.00 174.74 170.29 1yit n ASP 132 N -1.58 0.00 0.02 1.40 -0.08 -1.07 -4.88 116.55 110.36 1yit n ASP 132 Ca 0.04 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.44 1yit n ASP 132 Cb 0.62 0.00 0.21 0.00 2.34 0.00 0.00 41.12 44.29 1yit n ASP 132 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1yit n ARG 133 N -0.06 0.09 0.02 -0.67 1.74 -1.26 -4.57 116.66 111.96 1yit n ARG 133 Ca 0.00 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1yit n ARG 133 Cb 0.00 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 1yit n ARG 133 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1yit n ASN 134 N -1.69 0.29 -4.66 0.55 3.02 -1.26 -4.94 115.26 106.58 1yit n ASN 134 Ca 0.05 0.07 -0.33 0.00 -0.03 0.00 0.00 54.58 54.34 1yit n ASN 134 Cb 0.37 -0.06 -0.09 0.00 -0.61 0.00 0.00 39.78 39.38 1yit n ASN 134 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1yit s VAL 135 N -2.00 4.04 -0.58 2.41 0.11 -1.26 -3.86 120.40 119.25 1yit s VAL 135 Ca 0.00 -0.62 0.05 0.00 -2.93 0.00 0.00 61.98 58.48 1yit s VAL 135 Cb 0.00 -2.79 0.17 0.00 -1.53 0.00 0.00 36.38 32.24 1yit s VAL 135 CO 0.00 0.39 0.44 0.00 -3.33 0.00 0.00 175.10 172.61 1yit n ALA 136 N 1.48 3.20 -1.67 1.54 0.00 0.35 -2.61 120.51 122.80 1yit n ALA 136 Ca -0.15 -3.95 -0.48 0.00 0.00 0.00 0.00 53.44 48.86 1yit n ALA 136 Cb 0.53 -0.91 -0.05 0.00 0.00 0.00 0.00 19.45 19.02 1yit n ALA 136 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1yit n VAL 137 N 2.27 0.18 -4.60 0.00 0.31 -0.81 -2.95 118.33 112.73 1yit n VAL 137 Ca 0.24 -0.03 -0.22 0.00 -0.01 0.00 0.00 64.34 64.32 1yit n VAL 137 Cb 0.41 -1.54 -0.15 0.00 -0.91 0.00 0.00 33.84 31.64 1yit n VAL 137 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1yit s VAL 138 N 1.89 1.06 -0.43 2.52 1.01 0.74 -1.56 120.40 125.64 1yit s VAL 138 Ca 0.84 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 62.11 1yit s VAL 138 Cb -0.73 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 34.77 1yit s VAL 138 CO 0.44 0.31 0.42 -0.75 0.00 0.00 0.00 175.10 175.52 1yit s LYS 139 N -0.10 3.06 0.69 2.72 2.20 0.19 0.10 119.74 128.59 1yit s LYS 139 Ca 0.01 -0.88 -0.13 0.00 -0.36 0.00 0.00 55.97 54.61 1yit s LYS 139 Cb -0.07 -4.00 0.01 0.00 -1.51 0.00 0.00 37.83 32.26 1yit s LYS 139 CO 0.00 -0.88 1.09 -0.51 -0.36 0.00 0.00 175.35 174.69 1yit s LEU 140 N 2.04 3.27 0.07 5.43 1.43 -0.26 -1.60 118.68 129.05 1yit s LEU 140 Ca 0.10 1.87 0.03 0.00 -1.03 0.00 0.00 54.13 55.10 1yit s LEU 140 Cb -0.18 -4.53 0.16 0.00 0.03 0.00 0.00 46.19 41.67 1yit s LEU 140 CO 0.12 -1.65 0.94 -0.81 0.23 0.00 0.00 176.35 175.18 1yit n PRO 141 N -2.78 0.02 0.00 1.29 -0.04 -1.25 0.15 135.00 132.39 1yit n PRO 141 Ca 0.09 0.38 0.13 0.00 -0.04 0.00 0.00 63.50 64.06 1yit n PRO 141 Cb 0.53 -1.75 0.33 0.00 -0.04 0.00 0.00 33.50 32.57 1yit n PRO 141 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1yit n SER 142 N -1.49 1.16 0.00 3.54 3.41 -1.26 -4.93 113.62 114.05 1yit n SER 142 Ca -0.00 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 1yit n SER 142 Cb 0.19 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1yit n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yit n GLY 143 N 1.35 3.25 3.74 5.00 0.00 0.12 -5.06 105.19 113.58 1yit n GLY 143 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1yit n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yit s GLU 144 N -0.59 2.75 -0.55 1.61 2.12 -1.25 -4.70 118.70 118.09 1yit s GLU 144 Ca 0.00 2.10 -0.17 0.00 0.36 0.00 0.00 54.97 57.26 1yit s GLU 144 Cb 0.00 -1.97 0.12 0.00 0.26 0.00 0.00 34.13 32.54 1yit s GLU 144 CO 0.00 -1.46 0.56 -1.64 -0.54 0.00 0.00 175.26 172.19 1yit s MET 145 N -3.24 3.01 -0.34 4.30 -1.94 -1.26 -1.10 119.30 118.73 1yit s MET 145 Ca 0.79 -1.55 -0.20 0.00 -1.71 0.00 0.00 55.69 53.02 1yit s MET 145 Cb -0.38 -4.28 -0.00 0.00 2.01 0.00 0.00 34.83 32.18 1yit s MET 145 CO 0.42 -1.38 0.62 0.21 -0.01 0.00 0.00 175.02 174.88 1yit s LYS 146 N 1.97 3.76 -0.10 2.03 2.47 0.29 -4.87 119.74 125.27 1yit s LYS 146 Ca 0.06 0.12 -0.28 0.00 -1.56 0.00 0.00 55.97 54.31 1yit s LYS 146 Cb -0.28 -3.78 -0.02 0.00 -1.46 0.00 0.00 37.83 32.30 1yit s LYS 146 CO 0.04 -0.66 0.95 1.03 0.16 0.00 0.00 175.35 176.87 1yit s ARG 147 N 2.64 4.41 0.10 4.03 0.52 -1.26 -0.19 118.95 129.21 1yit s ARG 147 Ca 0.24 1.29 0.04 0.00 -0.52 0.00 0.00 55.73 56.78 1yit s ARG 147 Cb -0.15 -3.53 -0.04 0.00 0.52 0.00 0.00 34.95 31.75 1yit s ARG 147 CO 0.14 -0.26 -0.10 -0.51 0.02 0.00 0.00 175.30 174.59 1yit s LEU 148 N 1.85 2.43 0.09 2.53 1.43 -1.15 -4.90 118.68 120.95 1yit s LEU 148 Ca 0.46 -0.85 -0.31 0.00 -1.03 0.00 0.00 54.13 52.40 1yit s LEU 148 Cb -0.18 -0.28 -0.09 0.00 0.03 0.00 0.00 46.19 45.67 1yit s LEU 148 CO 0.18 -0.29 1.62 -0.62 0.23 0.00 0.00 176.35 177.46 1yit s ASP 149 N -2.58 6.62 0.26 2.29 -1.08 -1.26 0.13 116.67 121.05 1yit s ASP 149 Ca 0.07 2.49 0.17 0.00 -0.52 0.00 0.00 52.55 54.77 1yit s ASP 149 Cb -0.01 -2.57 0.94 0.00 -1.46 0.00 0.00 42.92 39.81 1yit s ASP 149 CO -0.00 -0.86 1.52 -0.81 0.52 0.00 0.00 175.17 175.54 1yit n PRO 150 N 5.19 0.11 0.01 4.34 -0.04 -1.25 -1.14 135.00 142.22 1yit n PRO 150 Ca 0.15 0.61 0.13 0.00 -0.04 0.00 0.00 63.50 64.35 1yit n PRO 150 Cb 0.40 -1.88 0.49 0.00 -0.04 0.00 0.00 33.50 32.48 1yit n PRO 150 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1yit n GLN 151 N -2.11 0.04 -1.98 0.54 -0.06 -1.26 -0.76 117.38 111.80 1yit n GLN 151 Ca -0.01 0.03 -0.42 0.00 -2.00 0.00 0.00 57.00 54.60 1yit n GLN 151 Cb 0.04 -1.54 -0.03 0.00 -4.06 0.00 0.00 30.24 24.64 1yit n GLN 151 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1yit s ARG 153 N 3.29 3.32 0.16 0.00 0.52 -1.26 -1.07 118.95 123.91 1yit s ARG 153 Ca 0.73 1.29 -0.20 0.00 -0.52 0.00 0.00 55.73 57.04 1yit s ARG 153 Cb -0.36 -2.03 0.05 0.00 0.52 0.00 0.00 34.95 33.13 1yit s ARG 153 CO 0.31 -0.82 0.52 0.00 0.02 0.00 0.00 175.30 175.33 1yit s ALA 154 N -2.30 -1.23 -0.08 2.13 0.00 -1.14 -1.77 121.76 117.37 1yit s ALA 154 Ca 0.65 0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 1yit s ALA 154 Cb -0.17 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.73 1yit s ALA 154 CO 0.34 -0.75 -0.01 0.99 0.00 0.00 0.00 175.76 176.33 1yit s THR 155 N -3.80 4.20 0.17 0.00 2.01 -0.35 -1.92 115.64 115.96 1yit s THR 155 Ca 0.04 -0.31 -0.27 0.00 0.31 0.00 0.00 61.69 61.46 1yit s THR 155 Cb -0.00 -2.77 -0.08 0.00 0.01 0.00 0.00 72.50 69.66 1yit s THR 155 CO -0.10 0.59 0.84 -0.63 -0.69 0.00 0.00 174.62 174.63 1yit s ILE 156 N -0.89 4.32 0.00 1.82 1.01 -0.91 0.68 121.20 127.23 1yit s ILE 156 Ca 0.14 1.85 0.00 0.00 0.00 0.00 0.00 60.65 62.64 1yit s ILE 156 Cb -0.11 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.14 1yit s ILE 156 CO 0.03 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.06 1yit n GLY 157 N 1.69 1.10 3.94 6.18 0.00 0.20 -1.98 105.19 116.31 1yit n GLY 157 Ca -0.04 -2.13 -0.28 0.00 0.00 0.00 0.00 46.02 43.58 1yit n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yit s VAL 158 N -1.45 5.34 0.42 1.61 -7.23 -1.26 -3.09 120.40 114.75 1yit s VAL 158 Ca 0.00 -0.58 -0.26 0.00 -1.81 0.00 0.00 61.98 59.33 1yit s VAL 158 Cb 0.00 -3.71 -0.08 0.00 0.56 0.00 0.00 36.38 33.15 1yit s VAL 158 CO 0.00 -0.03 1.34 -0.69 -0.31 0.00 0.00 175.10 175.41 1yit s VAL 159 N -1.68 2.44 1.07 1.32 1.01 -0.71 0.50 120.40 124.36 1yit s VAL 159 Ca 0.35 0.39 -0.13 0.00 0.00 0.00 0.00 61.98 62.60 1yit s VAL 159 Cb -0.12 -3.23 0.23 0.00 0.00 0.00 0.00 36.38 33.26 1yit s VAL 159 CO 0.28 0.05 1.07 0.00 0.00 0.00 0.00 175.10 176.51 1yit s ALA 160 N -1.25 0.39 -0.19 5.51 0.00 -0.76 -2.01 121.76 123.46 1yit s ALA 160 Ca 0.59 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1yit s ALA 160 Cb -0.40 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1yit s ALA 160 CO 0.51 -3.24 0.00 0.41 0.00 0.00 0.00 175.76 173.44 1yit n GLY 161 N -0.41 0.53 3.62 0.00 0.00 -1.26 -2.44 105.19 105.23 1yit n GLY 161 Ca 0.04 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 1yit n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yit n GLY 162 N -2.42 -0.35 1.23 -0.02 0.00 -1.26 -3.20 105.19 99.18 1yit n GLY 162 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1yit n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yit n GLY 163 N 1.25 0.91 0.32 -0.02 0.00 -1.26 -4.89 105.19 101.49 1yit n GLY 163 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.25 1yit n GLY 163 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1yit h ARG 164 N 3.80 0.58 0.00 1.61 2.43 -1.91 -0.41 114.38 120.49 1yit h ARG 164 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1yit h ARG 164 Cb 0.00 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1yit h ARG 164 CO 0.00 0.39 0.00 2.41 -1.51 0.00 0.00 179.97 181.26 1yit n THR 165 N -4.89 0.96 -0.12 0.20 -1.04 -1.26 -3.60 114.28 104.54 1yit n THR 165 Ca 0.19 0.32 -0.11 0.00 -2.04 0.00 0.00 64.05 62.41 1yit n THR 165 Cb 0.50 -1.23 0.02 0.00 -1.82 0.00 0.00 70.33 67.79 1yit n THR 165 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1yit h ASP 166 N 0.00 0.94 -3.37 8.00 3.32 -1.48 -3.43 116.42 120.40 1yit h ASP 166 Ca 0.00 -0.39 -0.56 0.00 0.02 0.00 0.00 57.03 56.11 1yit h ASP 166 Cb 0.27 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 1yit h ASP 166 CO 0.00 1.16 0.11 -0.75 -1.72 0.00 0.00 179.24 178.04 1yit s LYS 167 N -4.52 4.45 0.59 3.56 2.20 -1.24 -5.05 119.74 119.74 1yit s LYS 167 Ca -0.10 0.93 -0.16 0.00 -0.36 0.00 0.00 55.97 56.28 1yit s LYS 167 Cb 0.12 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 1yit s LYS 167 CO 0.86 0.07 1.08 -1.25 -0.36 0.00 0.00 175.35 175.76 1yit s PRO 168 N 0.74 3.23 0.52 4.03 0.04 -1.26 -4.93 135.00 137.37 1yit s PRO 168 Ca 0.39 1.31 0.30 0.00 0.04 0.00 0.00 61.00 63.03 1yit s PRO 168 Cb -0.18 -2.01 1.34 0.00 0.04 0.00 0.00 34.50 33.68 1yit s PRO 168 CO 0.19 -0.89 1.99 0.74 0.04 0.00 0.00 177.00 179.07 1yit h PHE 169 N 0.52 0.00 0.00 0.56 -1.00 -1.96 -3.46 116.94 111.60 1yit h PHE 169 Ca -0.47 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.31 1yit h PHE 169 Cb 1.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.79 1yit h PHE 169 CO 0.57 0.11 0.00 0.28 -1.61 0.00 0.00 178.31 177.66 1yit n VAL 170 N -3.36 0.00 -4.20 -0.55 0.31 -1.26 -4.66 118.33 104.62 1yit n VAL 170 Ca -0.01 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 1yit n VAL 170 Cb 0.31 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.11 1yit n VAL 170 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1yit s LYS 171 N 0.00 0.70 0.30 5.55 -2.85 -1.26 -5.04 119.74 117.13 1yit s LYS 171 Ca 0.00 -0.70 0.04 0.00 -1.00 0.00 0.00 55.97 54.32 1yit s LYS 171 Cb 0.00 -0.62 0.78 0.00 -2.06 0.00 0.00 37.83 35.93 1yit s LYS 171 CO 0.00 0.14 1.65 0.00 0.10 0.00 0.00 175.35 177.25 1yit h ALA 172 N 4.86 1.41 -0.91 0.59 0.00 -2.01 0.57 119.26 123.78 1yit h ALA 172 Ca -0.36 0.21 0.16 0.00 0.00 0.00 0.00 54.91 54.92 1yit h ALA 172 Cb 1.19 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 19.16 1yit h ALA 172 CO 0.43 -0.47 0.50 0.78 0.00 0.00 0.00 179.25 180.49 1yit h GLY 173 N 0.25 1.53 0.98 0.00 0.00 -1.96 0.25 103.07 104.12 1yit h GLY 173 Ca 0.59 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.56 1yit h GLY 173 CO -0.64 -0.03 0.07 3.43 0.00 0.00 0.00 176.54 179.37 1yit h ASN 174 N 0.69 0.79 0.32 0.19 2.35 -1.15 -1.54 115.58 117.23 1yit h ASN 174 Ca 0.50 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 1yit h ASN 174 Cb 0.72 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.88 1yit h ASN 174 CO -0.36 0.85 -0.17 0.50 -1.65 0.00 0.00 177.43 176.60 1yit h LYS 175 N 0.69 -0.44 -0.95 0.81 3.11 -1.09 -2.55 116.57 116.15 1yit h LYS 175 Ca 0.15 0.03 0.15 0.00 -2.81 0.00 0.00 60.65 58.17 1yit h LYS 175 Cb 0.40 0.10 -0.16 0.00 -1.00 0.00 0.00 32.23 31.58 1yit h LYS 175 CO 0.01 -0.29 -0.38 1.25 -2.81 0.00 0.00 179.45 177.23 1yit h HIS 176 N -0.46 -1.04 -0.59 1.91 2.76 -0.25 0.27 115.15 117.75 1yit h HIS 176 Ca -0.04 0.10 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1yit h HIS 176 Cb 0.36 0.60 -0.03 0.00 1.55 0.00 0.00 27.41 29.89 1yit h HIS 176 CO -0.07 -0.40 0.35 0.45 -1.30 0.00 0.00 177.93 176.96 1yit h HIS 177 N -0.02 0.77 0.05 5.26 3.86 -1.06 -1.38 115.15 122.63 1yit h HIS 177 Ca 0.34 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.55 1yit h HIS 177 Cb 0.60 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.81 1yit h HIS 177 CO -0.84 0.52 -0.02 -0.22 0.86 0.00 0.00 177.93 178.22 1yit h LYS 178 N 0.81 -0.06 -0.82 2.45 3.64 -0.21 -3.24 116.57 119.14 1yit h LYS 178 Ca 0.21 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.76 1yit h LYS 178 Cb -0.02 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 1yit h LYS 178 CO -0.04 0.51 0.54 0.52 -2.27 0.00 0.00 179.45 178.71 1yit h MET 179 N -0.70 0.44 0.00 1.90 2.86 -0.57 -0.39 114.93 118.47 1yit h MET 179 Ca -0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1yit h MET 179 Cb 0.60 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1yit h MET 179 CO 0.01 0.29 0.00 -0.22 1.06 0.00 0.00 176.91 178.05 1yit h LYS 180 N 0.45 0.00 -0.61 1.72 3.64 -1.27 -2.21 116.57 118.28 1yit h LYS 180 Ca 0.41 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.47 1yit h LYS 180 Cb 0.93 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.56 1yit h LYS 180 CO -0.15 0.00 0.21 0.00 -2.27 0.00 0.00 179.45 177.24 1yit n ALA 181 N -1.99 4.85 -2.46 5.00 0.00 -0.16 -4.81 120.51 120.95 1yit n ALA 181 Ca -0.02 -3.05 -0.10 0.00 0.00 0.00 0.00 53.44 50.27 1yit n ALA 181 Cb 0.10 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.44 1yit n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1yit s ARG 182 N -3.27 1.09 -1.37 0.00 1.81 -0.83 -4.74 118.95 111.63 1yit s ARG 182 Ca 0.50 -1.33 -0.11 0.00 -1.72 0.00 0.00 55.73 53.07 1yit s ARG 182 Cb 0.44 0.32 0.10 0.00 -0.45 0.00 0.00 34.95 35.36 1yit s ARG 182 CO 0.04 -0.36 2.10 0.41 -0.68 0.00 0.00 175.30 176.81 1yit n GLY 183 N -0.18 4.66 3.18 -3.53 0.00 -1.26 -4.52 105.19 103.53 1yit n GLY 183 Ca -0.05 -1.88 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 1yit n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yit s THR 184 N 1.35 -0.02 -0.08 2.61 2.01 -1.26 -4.83 115.64 115.42 1yit s THR 184 Ca 0.45 0.07 -0.26 0.00 0.31 0.00 0.00 61.69 62.27 1yit s THR 184 Cb 0.12 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 72.13 1yit s THR 184 CO -0.04 0.03 0.81 -0.75 -0.69 0.00 0.00 174.62 173.98 1yit s LYS 185 N 0.86 4.43 -0.01 4.92 2.47 -1.26 -4.87 119.74 126.28 1yit s LYS 185 Ca -0.06 1.05 -0.15 0.00 -1.56 0.00 0.00 55.97 55.26 1yit s LYS 185 Cb -0.07 -3.49 0.02 0.00 -1.46 0.00 0.00 37.83 32.84 1yit s LYS 185 CO -0.06 -0.08 0.31 -0.46 0.16 0.00 0.00 175.35 175.22 1yit s TRP 186 N 1.25 -0.18 0.66 4.03 -0.00 -1.26 -4.77 118.94 118.67 1yit s TRP 186 Ca 0.41 0.25 -0.11 0.00 -0.00 0.00 0.00 56.10 56.65 1yit s TRP 186 Cb -0.18 0.10 0.16 0.00 -0.00 0.00 0.00 33.47 33.55 1yit s TRP 186 CO 0.19 -0.40 0.61 -0.35 -0.00 0.00 0.00 176.95 177.00 1yit n PRO 187 N 1.22 -2.06 -4.33 5.86 -0.04 -1.26 -5.11 135.00 129.28 1yit n PRO 187 Ca -0.21 -0.98 -0.34 0.00 -0.04 0.00 0.00 63.50 61.93 1yit n PRO 187 Cb 0.56 -0.89 -0.15 0.00 -0.04 0.00 0.00 33.50 32.98 1yit n PRO 187 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1yit s ASN 188 N -3.18 3.74 -0.06 3.54 0.01 -1.26 -5.10 114.94 112.63 1yit s ASN 188 Ca 0.39 -0.47 -0.18 0.00 -0.71 0.00 0.00 52.86 51.89 1yit s ASN 188 Cb -0.04 -1.59 -0.05 0.00 0.41 0.00 0.00 41.25 39.98 1yit s ASN 188 CO 0.30 0.05 0.49 -0.69 -1.51 0.00 0.00 177.10 175.74 1yit s VAL 189 N 1.01 5.08 0.19 1.60 1.01 -1.26 -5.03 120.40 122.99 1yit s VAL 189 Ca -0.01 1.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.67 1yit s VAL 189 Cb -0.15 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 1yit s VAL 189 CO -0.03 0.41 1.35 -0.13 0.00 0.00 0.00 175.10 176.70 1yit s ARG 190 N 0.02 4.36 0.19 2.72 0.52 -1.26 -4.92 118.95 120.58 1yit s ARG 190 Ca 0.27 2.10 -0.15 0.00 -0.52 0.00 0.00 55.73 57.42 1yit s ARG 190 Cb -0.16 -3.19 0.16 0.00 0.52 0.00 0.00 34.95 32.28 1yit s ARG 190 CO 0.13 -0.31 1.65 0.78 0.02 0.00 0.00 175.30 177.56 1yit h GLY 191 N 5.59 0.37 1.54 -3.53 0.00 -1.96 0.34 103.07 105.42 1yit h GLY 191 Ca -0.44 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1yit h GLY 191 CO 0.79 -0.20 0.04 -0.62 0.00 0.00 0.00 176.54 176.56 1yit n VAL 192 N -5.37 1.31 1.01 4.60 0.31 -1.26 0.06 118.33 118.99 1yit n VAL 192 Ca 0.05 0.37 0.11 0.00 -0.01 0.00 0.00 64.34 64.86 1yit n VAL 192 Cb 0.27 -1.37 0.03 0.00 -0.91 0.00 0.00 33.84 31.86 1yit n VAL 192 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yit n ALA 193 N -1.31 3.33 -2.01 3.52 0.00 0.12 -4.55 120.51 119.60 1yit n ALA 193 Ca 0.00 -0.65 -0.22 0.00 0.00 0.00 0.00 53.44 52.57 1yit n ALA 193 Cb 0.04 -0.80 0.09 0.00 0.00 0.00 0.00 19.45 18.78 1yit n ALA 193 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1yit s MET 194 N -2.38 1.91 0.30 0.00 -1.94 0.11 -4.98 119.30 112.32 1yit s MET 194 Ca 0.21 -1.40 -0.12 0.00 -1.71 0.00 0.00 55.69 52.66 1yit s MET 194 Cb 0.19 -2.47 -0.08 0.00 2.01 0.00 0.00 34.83 34.47 1yit s MET 194 CO 0.52 -1.23 0.67 -0.80 -0.01 0.00 0.00 175.02 174.17 1yit s ASN 195 N -4.73 6.68 0.26 3.03 0.01 -1.26 -1.65 114.94 117.28 1yit s ASN 195 Ca 0.65 1.12 -0.05 0.00 -0.71 0.00 0.00 52.86 53.87 1yit s ASN 195 Cb -0.05 -2.31 0.50 0.00 0.41 0.00 0.00 41.25 39.80 1yit s ASN 195 CO 0.42 -0.19 1.64 0.00 -1.51 0.00 0.00 177.10 177.46 1yit h ALA 196 N 2.19 0.89 -1.03 0.60 0.00 -1.80 0.29 119.26 120.41 1yit h ALA 196 Ca -0.47 0.24 0.29 0.00 0.00 0.00 0.00 54.91 54.96 1yit h ALA 196 Cb 1.17 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 19.31 1yit h ALA 196 CO 0.66 -0.43 0.72 -0.24 0.00 0.00 0.00 179.25 179.97 1yit h VAL 197 N 0.13 0.50 0.00 0.00 3.04 -1.93 -2.66 116.25 115.33 1yit h VAL 197 Ca 0.44 -0.03 -0.12 0.00 -1.01 0.00 0.00 66.70 65.98 1yit h VAL 197 Cb 0.81 0.40 -0.02 0.00 -2.01 0.00 0.00 31.29 30.47 1yit h VAL 197 CO -0.67 0.02 -1.49 0.47 -1.01 0.00 0.00 177.57 174.89 1yit n ASP 198 N -4.31 0.66 -3.62 3.17 8.00 0.10 -0.98 116.55 119.57 1yit n ASP 198 Ca 0.22 0.28 -0.16 0.00 0.71 0.00 0.00 54.79 55.84 1yit n ASP 198 Cb 1.04 0.57 -0.07 0.00 -0.02 0.00 0.00 41.12 42.63 1yit n ASP 198 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1yit s HIS 199 N -3.08 -0.56 -0.26 1.24 2.46 -1.00 -4.41 115.29 109.67 1yit s HIS 199 Ca -0.04 1.13 0.17 0.00 0.47 0.00 0.00 55.06 56.79 1yit s HIS 199 Cb 0.09 0.28 0.94 0.00 -0.13 0.00 0.00 32.58 33.76 1yit s HIS 199 CO 0.82 -0.46 1.50 -0.35 -2.47 0.00 0.00 174.74 173.78 1yit n PRO 200 N 1.62 0.11 0.00 2.88 -0.04 -1.26 -0.65 135.00 137.67 1yit n PRO 200 Ca -0.18 0.60 0.11 0.00 -0.04 0.00 0.00 63.50 64.00 1yit n PRO 200 Cb 0.56 -1.93 0.01 0.00 -0.04 0.00 0.00 33.50 32.11 1yit n PRO 200 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1yit n PHE 201 N -2.11 0.00 -1.26 0.54 0.99 -1.26 -4.38 117.46 109.98 1yit n PHE 201 Ca -0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.14 1yit n PHE 201 Cb 0.08 0.00 0.12 0.00 -1.00 0.00 0.00 39.48 38.69 1yit n PHE 201 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1yit s GLY 202 N -2.40 1.63 0.00 1.37 0.00 0.18 -4.24 107.32 103.87 1yit s GLY 202 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.91 1yit s GLY 202 CO 0.53 0.44 0.00 0.61 0.00 0.00 0.00 173.10 174.67 1yit n GLY 203 N -1.27 -1.71 0.00 0.20 0.00 -0.66 -3.80 105.19 97.96 1yit n GLY 203 Ca 0.07 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1yit n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yit n GLY 204 N 0.00 -1.75 0.21 -0.02 0.00 -1.26 -4.65 105.19 97.71 1yit n GLY 204 Ca 0.00 -1.53 0.13 0.00 0.00 0.00 0.00 46.02 44.61 1yit n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yit n GLY 205 N -1.39 -0.70 3.19 -0.02 0.00 -1.26 -4.86 105.19 100.15 1yit n GLY 205 Ca 0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 1yit n GLY 205 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1yit s ARG 206 N -2.62 0.93 -0.32 1.61 1.70 -1.26 -5.13 118.95 113.86 1yit s ARG 206 Ca 0.21 -1.31 -0.18 0.00 -0.47 0.00 0.00 55.73 53.97 1yit s ARG 206 Cb 0.19 0.28 -0.01 0.00 -0.57 0.00 0.00 34.95 34.83 1yit s ARG 206 CO 0.57 -0.28 0.53 -0.65 -1.08 0.00 0.00 175.30 174.39 1yit s GLN 207 N -4.00 3.78 -0.15 3.89 -0.21 -1.26 -4.95 119.66 116.76 1yit s GLN 207 Ca 0.19 0.03 -0.30 0.00 0.02 0.00 0.00 55.36 55.30 1yit s GLN 207 Cb 0.06 -3.76 0.13 0.00 1.00 0.00 0.00 33.01 30.44 1yit s GLN 207 CO -0.01 -0.56 1.00 -3.38 -2.12 0.00 0.00 175.29 170.22 1yit s HIS 208 N 2.41 -0.35 0.62 0.91 -3.43 -1.26 -5.10 115.29 109.08 1yit s HIS 208 Ca 0.20 0.56 -0.17 0.00 -0.80 0.00 0.00 55.06 54.85 1yit s HIS 208 Cb -0.15 0.46 -0.02 0.00 -1.43 0.00 0.00 32.58 31.44 1yit s HIS 208 CO 0.12 -0.36 1.14 -1.25 -2.00 0.00 0.00 174.74 172.39 1yit s PRO 209 N -1.38 2.95 0.03 -0.38 0.04 -1.26 -4.89 135.00 130.11 1yit s PRO 209 Ca -0.00 1.56 -0.28 0.00 0.04 0.00 0.00 61.00 62.32 1yit s PRO 209 Cb -0.01 -1.96 -0.17 0.00 0.04 0.00 0.00 34.50 32.41 1yit s PRO 209 CO 0.00 -1.16 1.36 0.78 0.04 0.00 0.00 177.00 178.02 1yit h GLY 210 N 0.52 -0.67 0.00 0.56 0.00 -1.77 -3.47 103.07 98.25 1yit h GLY 210 Ca -0.48 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1yit h GLY 210 CO 0.55 -0.24 0.00 0.28 0.00 0.00 0.00 176.54 177.12 1yit n LYS 211 N -5.28 2.63 -2.31 4.80 5.02 -1.26 -5.11 118.16 116.65 1yit n LYS 211 Ca -0.11 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.83 1yit n LYS 211 Cb 0.30 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.31 1yit n LYS 211 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1yit s PRO 212 N -0.80 3.47 0.18 1.97 0.04 -1.26 -4.97 135.00 133.64 1yit s PRO 212 Ca 0.00 1.59 0.02 0.00 0.04 0.00 0.00 61.00 62.64 1yit s PRO 212 Cb 0.00 -2.06 0.07 0.00 0.04 0.00 0.00 34.50 32.55 1yit s PRO 212 CO 0.00 -0.75 1.43 0.87 0.04 0.00 0.00 177.00 178.60 1yit h LYS 213 N 1.35 0.27 -6.23 4.56 1.57 -1.94 -3.44 116.57 112.71 1yit h LYS 213 Ca -0.50 -0.25 -0.58 0.00 -1.87 0.00 0.00 60.65 57.46 1yit h LYS 213 Cb 1.25 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 1yit h LYS 213 CO 0.58 0.92 1.29 -1.12 -0.57 0.00 0.00 179.45 180.55 1yit s SER 214 N -6.94 5.90 -0.10 0.86 0.01 -1.25 -2.02 113.70 110.15 1yit s SER 214 Ca -0.04 1.48 -0.04 0.00 1.31 0.00 0.00 55.95 58.66 1yit s SER 214 Cb 0.11 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.78 1yit s SER 214 CO 0.83 -1.67 0.05 -0.51 0.41 0.00 0.00 173.24 172.35 1yit s ILE 215 N 6.82 4.76 0.55 1.44 1.10 0.34 -4.91 121.20 131.30 1yit s ILE 215 Ca 0.82 -0.07 -0.20 0.00 -0.51 0.00 0.00 60.65 60.69 1yit s ILE 215 Cb -0.25 -3.04 -0.06 0.00 0.15 0.00 0.00 42.46 39.26 1yit s ILE 215 CO 0.34 0.60 1.03 -0.24 -2.11 0.00 0.00 174.94 174.55 1yit n SER 216 N 2.16 1.14 0.23 4.50 2.88 -1.26 -0.43 113.62 122.83 1yit n SER 216 Ca -0.19 0.88 0.07 0.00 -1.33 0.00 0.00 58.87 58.30 1yit n SER 216 Cb 0.54 -1.41 0.55 0.00 -0.75 0.00 0.00 64.21 63.14 1yit n SER 216 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1yit h ARG 217 N 0.87 0.00 0.00 -1.46 2.47 -1.95 -1.81 114.38 112.50 1yit h ARG 217 Ca -0.48 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 1yit h ARG 217 Cb 1.35 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.67 1yit h ARG 217 CO 0.53 0.20 0.00 0.09 0.56 0.00 0.00 179.97 181.35 1yit n ASN 218 N -4.06 0.00 -4.68 7.04 3.02 -1.26 -4.87 115.26 110.45 1yit n ASN 218 Ca -0.02 -0.25 -0.41 0.00 -0.03 0.00 0.00 54.58 53.87 1yit n ASN 218 Cb 0.27 -0.23 0.01 0.00 -0.61 0.00 0.00 39.78 39.22 1yit n ASN 218 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yit n ALA 219 N -1.23 1.04 -2.00 5.41 0.00 -0.68 -4.97 120.51 118.08 1yit n ALA 219 Ca 0.14 0.25 -0.32 0.00 0.00 0.00 0.00 53.44 53.52 1yit n ALA 219 Cb 0.20 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.36 1yit n ALA 219 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1yit s PRO 220 N -2.17 4.07 0.29 0.00 0.04 -1.26 -4.72 135.00 131.24 1yit s PRO 220 Ca 0.62 0.85 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 1yit s PRO 220 Cb -0.52 -2.31 -0.12 0.00 0.04 0.00 0.00 34.50 31.60 1yit s PRO 220 CO 0.57 0.03 1.62 -0.35 0.04 0.00 0.00 177.00 178.92 1yit n PRO 221 N -0.65 2.74 0.00 0.56 -0.04 -1.26 -0.71 135.00 135.64 1yit n PRO 221 Ca 0.05 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 1yit n PRO 221 Cb 0.54 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 1yit n PRO 221 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yit n GLY 222 N 2.33 2.07 0.00 0.55 0.00 -1.26 -4.82 105.19 104.06 1yit n GLY 222 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1yit n GLY 222 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1yit n ARG 223 N -0.13 2.91 -2.53 1.61 0.63 0.11 -4.77 116.66 114.48 1yit n ARG 223 Ca 0.00 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.52 1yit n ARG 223 Cb 0.00 -0.66 -0.03 0.00 0.45 0.00 0.00 32.46 32.22 1yit n ARG 223 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1yit s LYS 224 N -1.06 3.21 0.17 -0.14 2.20 -0.98 -4.91 119.74 118.23 1yit s LYS 224 Ca 0.00 -0.15 -0.12 0.00 -0.36 0.00 0.00 55.97 55.34 1yit s LYS 224 Cb 0.00 -4.17 0.00 0.00 -1.51 0.00 0.00 37.83 32.16 1yit s LYS 224 CO 0.00 -2.12 0.36 0.14 -0.36 0.00 0.00 175.35 173.38 1yit s VAL 225 N 5.77 0.05 0.00 4.02 -7.23 -1.26 -5.00 120.40 116.75 1yit s VAL 225 Ca 0.37 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.36 1yit s VAL 225 Cb -0.08 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 35.11 1yit s VAL 225 CO 0.16 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 1yit n GLY 226 N -0.26 0.36 3.48 2.32 0.00 -1.26 -4.55 105.19 105.28 1yit n GLY 226 Ca -0.08 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 1yit n GLY 226 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yit s ASP 227 N -4.00 6.22 -0.10 1.61 1.01 -0.86 -4.95 116.67 115.61 1yit s ASP 227 Ca 0.00 -0.97 -0.29 0.00 0.71 0.00 0.00 52.55 51.99 1yit s ASP 227 Cb 0.00 -2.46 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 1yit s ASP 227 CO 0.00 -1.51 1.53 -0.63 0.21 0.00 0.00 175.17 174.77 1yit s ILE 228 N 4.40 3.80 -1.63 0.77 1.01 -1.26 -0.50 121.20 127.79 1yit s ILE 228 Ca 0.27 0.96 -0.13 0.00 0.00 0.00 0.00 60.65 61.76 1yit s ILE 228 Cb -0.13 -3.64 0.13 0.00 0.01 0.00 0.00 42.46 38.83 1yit s ILE 228 CO 0.09 -0.10 0.32 0.00 0.00 0.00 0.00 174.94 175.25 1yit n ALA 229 N 7.07 -1.47 -1.88 9.38 0.00 0.42 -4.82 120.51 129.20 1yit n ALA 229 Ca 0.16 -0.28 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1yit n ALA 229 Cb 0.44 -1.66 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 1yit n ALA 229 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1yit s SER 230 N -3.61 6.54 0.47 0.00 1.04 -1.25 -4.86 113.70 112.03 1yit s SER 230 Ca 0.45 2.69 0.26 0.00 0.48 0.00 0.00 55.95 59.83 1yit s SER 230 Cb -0.26 -2.60 0.64 0.00 0.10 0.00 0.00 66.02 63.90 1yit s SER 230 CO 0.95 -0.85 1.72 0.11 0.98 0.00 0.00 173.24 176.15 1yit h LYS 231 N 6.50 0.00 -1.47 4.02 1.57 -1.97 -3.47 116.57 121.76 1yit h LYS 231 Ca -0.43 0.00 0.31 0.00 -1.87 0.00 0.00 60.65 58.66 1yit h LYS 231 Cb 1.21 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.39 1yit h LYS 231 CO 0.90 0.02 0.82 -0.98 -0.57 0.00 0.00 179.45 179.64 1yit s ARG 232 N -3.35 0.40 0.32 3.15 1.70 -1.26 -5.19 118.95 114.73 1yit s ARG 232 Ca 0.05 -0.22 0.06 0.00 -0.47 0.00 0.00 55.73 55.16 1yit s ARG 232 Cb 0.06 0.14 -0.03 0.00 -0.57 0.00 0.00 34.95 34.55 1yit s ARG 232 CO 0.63 -0.18 0.25 0.95 -1.08 0.00 0.00 175.30 175.87 1yit s THR 233 N -2.44 0.05 0.12 4.99 -4.23 -1.26 -5.12 115.64 107.75 1yit s THR 233 Ca 0.13 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 1yit s THR 233 Cb 0.04 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1yit s THR 233 CO -0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 1yit n GLY 234 N -0.61 -2.05 0.06 3.99 0.00 -1.26 -4.77 105.19 100.54 1yit n GLY 234 Ca 0.06 -1.36 -0.07 0.00 0.00 0.00 0.00 46.02 44.64 1yit n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yit n ARG 235 N -2.14 1.04 -0.77 1.61 1.74 -1.26 -5.05 116.66 111.83 1yit n ARG 235 Ca 0.00 0.04 -0.32 0.00 -0.77 0.00 0.00 57.85 56.81 1yit n ARG 235 Cb 0.24 -1.24 0.15 0.00 -1.02 0.00 0.00 32.46 30.58 1yit n ARG 235 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yit n GLY 236 N 2.74 -0.87 2.96 -0.13 0.00 -1.26 -5.29 105.19 103.34 1yit n GLY 236 Ca -0.20 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1yit n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93