#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spx s ARG 3 N 0.00 2.88 0.00 -0.78 1.70 -1.25 -2.66 118.95 118.84 1spx s ARG 3 Ca 0.00 1.77 0.00 0.00 -0.47 0.00 0.00 55.73 57.03 1spx s ARG 3 Cb 0.00 -1.92 0.00 0.00 -0.57 0.00 0.00 34.95 32.46 1spx s ARG 3 CO 0.00 -1.27 0.00 1.19 -1.08 0.00 0.00 175.30 174.14 1spx n PHE 4 N -1.78 0.00 -2.11 5.89 3.72 -1.26 -4.26 117.46 117.66 1spx n PHE 4 Ca 0.13 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.12 1spx n PHE 4 Cb 0.50 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.01 1spx n PHE 4 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1spx s ALA 5 N -2.50 3.61 -0.66 4.37 0.00 -1.09 -1.47 121.76 124.03 1spx s ALA 5 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1spx s ALA 5 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1spx s ALA 5 CO 0.00 -0.65 0.00 0.39 0.00 0.00 0.00 175.76 175.50 1spx n GLU 6 N 3.15 -0.68 -4.27 0.00 1.02 -1.26 -4.99 120.64 113.61 1spx n GLU 6 Ca 0.09 0.63 -0.31 0.00 -0.02 0.00 0.00 57.16 57.55 1spx n GLU 6 Cb 0.41 -4.43 -0.09 0.00 -0.02 0.00 0.00 31.44 27.31 1spx n GLU 6 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1spx s LYS 7 N -2.17 2.54 -0.12 3.49 -0.14 -0.54 -5.02 119.74 117.78 1spx s LYS 7 Ca 0.00 -0.78 0.03 0.00 -1.36 0.00 0.00 55.97 53.86 1spx s LYS 7 Cb 0.00 -2.52 0.00 0.00 -1.68 0.00 0.00 37.83 33.63 1spx s LYS 7 CO 0.00 0.57 -0.22 0.08 -0.76 0.00 0.00 175.35 175.02 1spx s VAL 8 N -1.16 2.15 0.02 3.17 1.01 -1.26 -0.41 120.40 123.91 1spx s VAL 8 Ca 0.21 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.27 1spx s VAL 8 Cb -0.11 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 1spx s VAL 8 CO 0.13 0.55 -0.16 0.00 0.00 0.00 0.00 175.10 175.62 1spx s ALA 9 N 0.51 1.30 -0.17 5.51 0.00 -0.61 -0.57 121.76 127.73 1spx s ALA 9 Ca -0.14 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 1spx s ALA 9 Cb -0.17 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1spx s ALA 9 CO 0.05 0.28 -0.02 0.42 0.00 0.00 0.00 175.76 176.49 1spx s ILE 10 N -0.66 3.97 -0.25 0.00 1.01 0.42 -0.24 121.20 125.45 1spx s ILE 10 Ca 0.04 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.38 1spx s ILE 10 Cb -0.07 -2.76 0.06 0.00 0.01 0.00 0.00 42.46 39.71 1spx s ILE 10 CO 0.01 0.48 -0.05 -0.63 0.00 0.00 0.00 174.94 174.74 1spx s ILE 11 N 0.51 1.75 0.61 2.92 -1.09 -0.20 -0.89 121.20 124.82 1spx s ILE 11 Ca -0.02 -1.44 -0.09 0.00 -2.23 0.00 0.00 60.65 56.87 1spx s ILE 11 Cb -0.14 -2.00 -0.01 0.00 -1.58 0.00 0.00 42.46 38.72 1spx s ILE 11 CO 0.02 -0.15 0.97 0.42 -1.23 0.00 0.00 174.94 174.98 1spx s THR 12 N 1.28 4.15 -1.44 2.92 -4.23 -1.01 -3.39 115.64 113.91 1spx s THR 12 Ca -0.05 0.43 -0.02 0.00 -1.18 0.00 0.00 61.69 60.87 1spx s THR 12 Cb -0.19 -3.66 0.01 0.00 1.34 0.00 0.00 72.50 70.00 1spx s THR 12 CO -0.07 -0.78 0.20 0.61 -0.54 0.00 0.00 174.62 174.04 1spx n GLY 13 N -2.69 -0.50 1.17 3.99 0.00 -1.22 -3.91 105.19 102.02 1spx n GLY 13 Ca 0.05 0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.16 1spx n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1spx n SER 14 N -2.10 3.36 -0.21 1.61 3.41 -1.16 -3.74 113.62 114.78 1spx n SER 14 Ca -0.16 -2.37 0.14 0.00 -0.26 0.00 0.00 58.87 56.22 1spx n SER 14 Cb 0.63 -0.51 0.55 0.00 -0.26 0.00 0.00 64.21 64.63 1spx n SER 14 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1spx n SER 15 N 0.52 0.79 -3.69 4.04 3.41 -1.26 -3.52 113.62 113.91 1spx n SER 15 Ca 0.16 -0.87 -0.05 0.00 -0.26 0.00 0.00 58.87 57.85 1spx n SER 15 Cb 0.67 0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.62 1spx n SER 15 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1spx s ASN 16 N -2.36 -0.18 0.00 4.04 4.22 -1.26 -4.40 114.94 115.01 1spx s ASN 16 Ca 0.31 -0.58 0.00 0.00 -2.14 0.00 0.00 52.86 50.45 1spx s ASN 16 Cb 0.20 0.62 0.00 0.00 1.28 0.00 0.00 41.25 43.35 1spx s ASN 16 CO 0.45 -1.16 0.00 0.61 -2.04 0.00 0.00 177.10 174.96 1spx n GLY 17 N -0.49 1.47 0.38 0.45 0.00 -0.97 -1.53 105.19 104.50 1spx n GLY 17 Ca -0.05 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 1spx n GLY 17 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1spx h ILE 18 N 0.00 0.18 -0.79 -0.61 1.08 -1.89 -0.60 117.51 114.88 1spx h ILE 18 Ca 0.00 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.57 1spx h ILE 18 Cb 0.00 0.18 -0.07 0.00 -3.07 0.00 0.00 36.82 33.86 1spx h ILE 18 CO 0.00 0.00 0.43 1.23 -0.69 0.00 0.00 178.15 179.12 1spx h GLY 19 N -0.44 1.21 0.83 5.37 0.00 -1.55 -0.06 103.07 108.44 1spx h GLY 19 Ca 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1spx h GLY 19 CO -0.41 0.09 0.03 -0.09 0.00 0.00 0.00 176.54 176.16 1spx h ARG 20 N 0.71 0.29 -0.52 4.80 2.43 -0.66 -1.79 114.38 119.65 1spx h ARG 20 Ca 0.38 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.45 1spx h ARG 20 Cb 0.38 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1spx h ARG 20 CO -0.26 0.45 0.19 0.00 -1.51 0.00 0.00 179.97 178.84 1spx h ALA 21 N 0.83 1.36 -0.42 2.80 0.00 -0.71 -1.90 119.26 121.22 1spx h ALA 21 Ca 0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1spx h ALA 21 Cb 0.30 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1spx h ALA 21 CO 0.00 0.48 0.05 1.15 0.00 0.00 0.00 179.25 180.93 1spx h THR 22 N 0.75 1.25 -0.56 0.00 2.02 -0.84 -0.97 112.91 114.56 1spx h THR 22 Ca 0.18 -0.92 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 1spx h THR 22 Cb 0.17 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1spx h THR 22 CO -0.01 0.32 0.30 0.00 0.37 0.00 0.00 175.52 176.49 1spx h ALA 23 N 0.92 0.72 -0.43 6.16 0.00 -0.97 -0.12 119.26 125.54 1spx h ALA 23 Ca 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1spx h ALA 23 Cb 0.41 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1spx h ALA 23 CO 0.01 0.24 0.14 0.28 0.00 0.00 0.00 179.25 179.93 1spx h VAL 24 N 0.75 1.22 0.28 0.00 2.07 -1.23 -1.06 116.25 118.28 1spx h VAL 24 Ca 0.20 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1spx h VAL 24 Cb 0.06 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1spx h VAL 24 CO -0.03 0.26 -0.14 0.25 0.02 0.00 0.00 177.57 177.93 1spx h LEU 25 N 0.56 -0.32 -0.83 2.57 5.85 -0.89 -0.42 115.31 121.83 1spx h LEU 25 Ca 0.14 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1spx h LEU 25 Cb 0.26 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1spx h LEU 25 CO -0.01 -0.15 0.53 -0.26 -0.34 0.00 0.00 178.44 178.22 1spx h PHE 26 N -0.47 1.00 -0.31 1.25 -1.00 -1.00 -0.54 116.94 115.86 1spx h PHE 26 Ca -0.04 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 1spx h PHE 26 Cb 0.36 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 39.57 1spx h PHE 26 CO -0.03 0.58 0.15 0.00 -1.61 0.00 0.00 178.31 177.40 1spx h ALA 27 N 1.34 0.40 0.00 2.45 0.00 -1.08 -1.19 119.26 121.17 1spx h ALA 27 Ca 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1spx h ALA 27 Cb -0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1spx h ALA 27 CO -0.11 -0.05 -0.06 0.00 0.00 0.00 0.00 179.25 179.04 1spx h ARG 28 N 0.36 0.00 -0.04 0.00 3.08 -0.57 -0.38 114.38 116.83 1spx h ARG 28 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1spx h ARG 28 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1spx h ARG 28 CO -0.01 0.06 0.00 0.39 -1.07 0.00 0.00 179.97 179.33 1spx n GLU 29 N -3.78 1.31 -0.05 0.04 -0.58 -0.26 -4.91 120.64 112.42 1spx n GLU 29 Ca -0.02 -0.46 0.00 0.00 -0.42 0.00 0.00 57.16 56.26 1spx n GLU 29 Cb 0.15 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 1spx n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1spx n GLY 30 N 1.01 0.48 3.87 0.62 0.00 -0.15 -3.80 105.19 107.21 1spx n GLY 30 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1spx n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spx s ALA 31 N -2.10 3.02 -0.34 4.61 0.00 -0.72 -3.99 121.76 122.24 1spx s ALA 31 Ca 0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 51.96 51.70 1spx s ALA 31 Cb 0.00 -3.06 0.02 0.00 0.00 0.00 0.00 23.12 20.08 1spx s ALA 31 CO 0.00 -0.85 0.15 0.15 0.00 0.00 0.00 175.76 175.20 1spx s LYS 32 N -5.24 2.90 -0.04 0.00 -0.14 0.45 -4.40 119.74 113.27 1spx s LYS 32 Ca 0.56 -1.01 0.03 0.00 -1.36 0.00 0.00 55.97 54.19 1spx s LYS 32 Cb -0.11 -3.56 -0.03 0.00 -1.68 0.00 0.00 37.83 32.45 1spx s LYS 32 CO 0.53 -0.60 -0.10 0.14 -0.76 0.00 0.00 175.35 174.57 1spx s VAL 33 N 1.51 3.43 -0.27 3.17 -7.23 0.11 -1.58 120.40 119.54 1spx s VAL 33 Ca 0.02 -0.68 -0.06 0.00 -1.81 0.00 0.00 61.98 59.45 1spx s VAL 33 Cb -0.19 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.35 1spx s VAL 33 CO 0.05 0.53 0.05 -0.89 -0.31 0.00 0.00 175.10 174.52 1spx s THR 34 N -0.84 3.81 0.11 5.32 2.01 0.66 -0.85 115.64 125.86 1spx s THR 34 Ca 0.13 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.54 1spx s THR 34 Cb -0.11 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 1spx s THR 34 CO 0.03 0.18 0.13 0.27 -0.69 0.00 0.00 174.62 174.54 1spx s ILE 35 N 1.49 4.69 0.05 1.82 -4.36 -0.28 -1.03 121.20 123.58 1spx s ILE 35 Ca 0.03 -0.81 -0.22 0.00 -0.26 0.00 0.00 60.65 59.40 1spx s ILE 35 Cb -0.16 -3.32 0.05 0.00 1.25 0.00 0.00 42.46 40.28 1spx s ILE 35 CO 0.01 0.04 0.51 0.28 0.24 0.00 0.00 174.94 176.02 1spx s THR 36 N -1.54 0.03 0.00 8.37 -1.32 -1.22 -1.37 115.64 118.59 1spx s THR 36 Ca 0.31 -0.26 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 1spx s THR 36 Cb -0.12 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 69.90 1spx s THR 36 CO 0.24 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 173.11 1spx n GLY 37 N 0.40 -0.10 0.10 6.08 0.00 -1.00 -3.00 105.19 107.67 1spx n GLY 37 Ca -0.18 -0.93 0.03 0.00 0.00 0.00 0.00 46.02 44.93 1spx n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1spx n ARG 38 N -0.11 0.62 -3.12 1.61 1.74 -1.23 -1.01 116.66 115.15 1spx n ARG 38 Ca 0.00 0.20 -0.45 0.00 -0.77 0.00 0.00 57.85 56.83 1spx n ARG 38 Cb 0.00 -1.81 -0.04 0.00 -1.02 0.00 0.00 32.46 29.59 1spx n ARG 38 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1spx s HIS 39 N -3.02 3.11 0.27 -1.55 3.76 -1.26 -4.80 115.29 111.80 1spx s HIS 39 Ca -0.02 -1.14 0.00 0.00 -0.15 0.00 0.00 55.06 53.75 1spx s HIS 39 Cb 0.09 -4.01 0.58 0.00 1.11 0.00 0.00 32.58 30.34 1spx s HIS 39 CO 0.81 -1.27 1.77 0.00 -0.85 0.00 0.00 174.74 175.19 1spx h ALA 40 N 8.97 1.37 -0.57 -1.40 0.00 -1.99 -1.20 119.26 124.45 1spx h ALA 40 Ca -0.20 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1spx h ALA 40 Cb 1.08 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1spx h ALA 40 CO 1.06 -0.07 -0.08 0.93 0.00 0.00 0.00 179.25 181.09 1spx h GLU 41 N 0.66 1.05 -0.51 0.00 5.08 -1.99 0.17 114.58 119.03 1spx h GLU 41 Ca 0.49 -0.37 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 1spx h GLU 41 Cb 0.70 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1spx h GLU 41 CO -0.37 1.06 -0.17 0.00 -1.00 0.00 0.00 179.01 178.54 1spx h ARG 42 N 0.94 1.01 -0.47 2.33 2.47 -1.73 -2.45 114.38 116.49 1spx h ARG 42 Ca 0.15 -0.41 -0.05 0.00 -1.26 0.00 0.00 59.98 58.41 1spx h ARG 42 Cb 0.64 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.90 1spx h ARG 42 CO 0.04 1.09 0.09 1.25 0.56 0.00 0.00 179.97 183.00 1spx h LEU 43 N 0.88 0.73 -1.42 3.04 5.85 -1.01 -2.46 115.31 120.91 1spx h LEU 43 Ca 0.12 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1spx h LEU 43 Cb 0.74 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1spx h LEU 43 CO 0.06 0.80 0.20 -0.08 -0.34 0.00 0.00 178.44 179.07 1spx h GLU 44 N 0.63 0.59 -0.64 1.25 4.57 -0.89 -0.31 114.58 119.79 1spx h GLU 44 Ca 0.14 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1spx h GLU 44 Cb 0.37 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1spx h GLU 44 CO 0.01 0.47 0.38 1.49 -1.18 0.00 0.00 179.01 180.17 1spx h GLU 45 N 0.59 0.86 -0.17 1.92 4.57 -0.98 0.22 114.58 121.59 1spx h GLU 45 Ca 0.15 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1spx h GLU 45 Cb 0.08 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 1spx h GLU 45 CO -0.02 0.61 0.01 1.15 -1.18 0.00 0.00 179.01 179.58 1spx h THR 46 N 0.88 1.24 -0.55 0.32 2.02 -0.79 -2.17 112.91 113.86 1spx h THR 46 Ca 0.23 -0.81 0.07 0.00 0.77 0.00 0.00 66.41 66.67 1spx h THR 46 Cb -0.03 1.46 -0.06 0.00 -1.74 0.00 0.00 68.15 67.78 1spx h THR 46 CO -0.04 0.24 0.23 -0.09 0.37 0.00 0.00 175.52 176.23 1spx h ARG 47 N 0.04 0.43 -0.77 6.66 2.43 -0.35 -1.61 114.38 121.22 1spx h ARG 47 Ca 0.05 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1spx h ARG 47 Cb 0.36 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 1spx h ARG 47 CO 0.01 0.28 0.51 1.96 -1.51 0.00 0.00 179.97 181.22 1spx h GLN 48 N 0.44 1.00 -0.08 0.20 1.08 -0.44 -0.08 115.11 117.24 1spx h GLN 48 Ca 0.26 -0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.31 1spx h GLN 48 Cb 0.26 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1spx h GLN 48 CO -0.23 0.66 -0.37 1.96 -0.95 0.00 0.00 178.83 179.90 1spx h GLN 49 N 1.03 0.16 -0.09 1.46 4.20 -0.67 0.94 115.11 122.14 1spx h GLN 49 Ca 0.28 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 1spx h GLN 49 Cb -0.10 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 1spx h GLN 49 CO -0.06 0.51 -0.08 0.82 -0.67 0.00 0.00 178.83 179.34 1spx h ILE 50 N 0.14 1.35 -0.52 2.54 2.04 -0.43 -2.26 117.51 120.37 1spx h ILE 50 Ca 0.01 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.66 1spx h ILE 50 Cb 0.72 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.73 1spx h ILE 50 CO 0.05 0.34 0.31 -0.07 0.00 0.00 0.00 178.15 178.78 1spx h LEU 51 N -0.18 0.63 -2.05 1.44 3.38 -0.87 -1.94 115.31 115.71 1spx h LEU 51 Ca 0.02 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1spx h LEU 51 Cb 0.59 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1spx h LEU 51 CO 0.02 0.51 0.08 0.00 0.09 0.00 0.00 178.44 179.14 1spx h ALA 52 N 1.15 2.04 0.00 1.53 0.00 -0.79 0.32 119.26 123.51 1spx h ALA 52 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1spx h ALA 52 Cb -0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1spx h ALA 52 CO -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.08 1spx n ALA 53 N -2.53 2.29 -0.41 0.00 0.00 -0.75 -4.85 120.51 114.26 1spx n ALA 53 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1spx n ALA 53 Cb 0.19 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1spx n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1spx n GLY 54 N 0.51 0.79 3.77 0.00 0.00 0.11 -5.03 105.19 105.35 1spx n GLY 54 Ca 0.15 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1spx n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1spx s VAL 55 N -2.00 4.39 0.33 1.61 1.01 -1.11 -5.02 120.40 119.61 1spx s VAL 55 Ca 0.00 1.71 -0.29 0.00 0.00 0.00 0.00 61.98 63.41 1spx s VAL 55 Cb 0.00 -4.15 -0.11 0.00 0.00 0.00 0.00 36.38 32.13 1spx s VAL 55 CO 0.00 0.51 1.41 -0.55 0.00 0.00 0.00 175.10 176.47 1spx s SER 56 N -1.05 6.57 0.55 3.32 0.15 -1.26 -4.38 113.70 117.61 1spx s SER 56 Ca 0.36 2.84 0.37 0.00 0.70 0.00 0.00 55.95 60.22 1spx s SER 56 Cb -0.23 -2.65 1.90 0.00 -1.71 0.00 0.00 66.02 63.32 1spx s SER 56 CO 0.26 -0.71 2.12 1.05 1.20 0.00 0.00 173.24 177.16 1spx h GLU 57 N 3.56 0.00 0.00 5.44 4.11 -1.95 -1.41 114.58 124.33 1spx h GLU 57 Ca -0.49 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.93 1spx h GLU 57 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1spx h GLU 57 CO 0.68 0.00 -0.04 1.96 0.07 0.00 0.00 179.01 181.68 1spx h GLN 58 N 0.00 0.00 -0.37 1.06 1.08 -2.03 -2.87 115.11 111.98 1spx h GLN 58 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1spx h GLN 58 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1spx h GLN 58 CO 0.00 0.04 0.00 0.09 -0.95 0.00 0.00 178.83 178.01 1spx n ASN 59 N -3.15 2.18 -4.07 1.46 4.13 -0.53 -4.84 115.26 110.44 1spx n ASN 59 Ca 0.00 -1.95 -0.27 0.00 1.68 0.00 0.00 54.58 54.05 1spx n ASN 59 Cb 0.32 -0.25 -0.17 0.00 -1.54 0.00 0.00 39.78 38.14 1spx n ASN 59 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1spx s VAL 60 N -1.51 1.42 -0.26 2.41 1.01 -1.08 -0.71 120.40 121.68 1spx s VAL 60 Ca 0.29 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1spx s VAL 60 Cb 0.15 -1.28 0.06 0.00 0.00 0.00 0.00 36.38 35.31 1spx s VAL 60 CO 0.21 0.42 -0.11 0.21 0.00 0.00 0.00 175.10 175.83 1spx s ASN 61 N 0.70 4.40 -0.25 3.32 2.47 -0.03 -5.00 114.94 120.55 1spx s ASN 61 Ca -0.13 -1.33 -0.15 0.00 0.42 0.00 0.00 52.86 51.67 1spx s ASN 61 Cb -0.16 -1.56 -0.04 0.00 -1.45 0.00 0.00 41.25 38.04 1spx s ASN 61 CO 0.03 -0.18 0.37 -0.44 -3.72 0.00 0.00 177.10 173.16 1spx s SER 62 N 1.13 6.29 -0.23 -4.21 0.01 -1.26 -1.13 113.70 114.30 1spx s SER 62 Ca -0.08 0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.54 1spx s SER 62 Cb -0.19 -2.21 0.05 0.00 0.21 0.00 0.00 66.02 63.88 1spx s SER 62 CO -0.05 -0.14 -0.11 -0.69 0.41 0.00 0.00 173.24 172.65 1spx s VAL 63 N 1.82 1.96 -0.39 3.43 1.01 -0.47 -4.99 120.40 122.77 1spx s VAL 63 Ca 0.15 -1.36 -0.22 0.00 0.00 0.00 0.00 61.98 60.56 1spx s VAL 63 Cb -0.15 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1spx s VAL 63 CO 0.09 0.08 0.71 -0.69 0.00 0.00 0.00 175.10 175.29 1spx s VAL 64 N 1.23 4.79 0.08 2.92 1.01 -1.26 -2.38 120.40 126.78 1spx s VAL 64 Ca -0.05 0.58 -0.26 0.00 0.00 0.00 0.00 61.98 62.24 1spx s VAL 64 Cb -0.18 -4.18 0.08 0.00 0.00 0.00 0.00 36.38 32.10 1spx s VAL 64 CO -0.07 -0.47 0.82 0.00 0.00 0.00 0.00 175.10 175.39 1spx s ALA 65 N 2.96 -1.70 -0.51 5.51 0.00 -0.18 -4.96 121.76 122.88 1spx s ALA 65 Ca 0.27 0.64 -0.20 0.00 0.00 0.00 0.00 51.96 52.68 1spx s ALA 65 Cb -0.14 0.59 0.05 0.00 0.00 0.00 0.00 23.12 23.63 1spx s ALA 65 CO 0.18 -0.80 0.68 0.34 0.00 0.00 0.00 175.76 176.16 1spx s ASP 66 N -2.66 6.24 0.00 0.00 -1.08 -1.26 -3.55 116.67 114.37 1spx s ASP 66 Ca 0.06 -0.81 0.06 0.00 -0.52 0.00 0.00 52.55 51.34 1spx s ASP 66 Cb -0.01 -2.32 0.26 0.00 -1.46 0.00 0.00 42.92 39.39 1spx s ASP 66 CO -0.07 -0.95 1.20 0.55 0.52 0.00 0.00 175.17 176.42 1spx n VAL 67 N 5.72 1.58 0.90 1.11 3.14 -1.26 -1.45 118.33 128.07 1spx n VAL 67 Ca -0.05 0.40 0.13 0.00 -2.96 0.00 0.00 64.34 61.86 1spx n VAL 67 Cb 0.46 -1.30 0.40 0.00 -1.06 0.00 0.00 33.84 32.34 1spx n VAL 67 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1spx n THR 68 N -1.51 0.12 -3.94 1.55 -2.24 -1.26 -4.58 114.28 102.41 1spx n THR 68 Ca 0.01 -0.07 -0.30 0.00 -2.27 0.00 0.00 64.05 61.43 1spx n THR 68 Cb 0.07 -0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.08 1spx n THR 68 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1spx s THR 69 N -3.04 5.28 0.21 4.28 -4.23 -0.53 -4.88 115.64 112.74 1spx s THR 69 Ca 0.11 -0.51 -0.09 0.00 -1.18 0.00 0.00 61.69 60.03 1spx s THR 69 Cb 0.17 -3.61 0.16 0.00 1.34 0.00 0.00 72.50 70.55 1spx s THR 69 CO 0.63 0.08 1.84 -0.78 -0.54 0.00 0.00 174.62 175.84 1spx h ASP 70 N 2.85 0.69 -0.51 3.99 3.58 -1.89 -1.47 116.42 123.66 1spx h ASP 70 Ca -0.46 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 56.92 1spx h ASP 70 Cb 1.17 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 42.07 1spx h ASP 70 CO 0.73 0.46 -0.01 0.00 -2.88 0.00 0.00 179.24 177.54 1spx h ALA 71 N 1.34 0.68 -0.10 -0.78 0.00 -1.95 -1.22 119.26 117.23 1spx h ALA 71 Ca 0.31 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1spx h ALA 71 Cb 0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1spx h ALA 71 CO -0.15 0.50 0.06 0.78 0.00 0.00 0.00 179.25 180.45 1spx h GLY 72 N 0.76 0.14 0.51 0.00 0.00 -1.59 0.36 103.07 103.25 1spx h GLY 72 Ca 0.14 -0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.45 1spx h GLY 72 CO 0.03 0.06 -0.14 1.46 0.00 0.00 0.00 176.54 177.95 1spx h GLN 73 N 0.12 -0.16 -0.93 4.80 4.20 -1.18 0.25 115.11 122.21 1spx h GLN 73 Ca 0.04 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1spx h GLN 73 Cb 0.01 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.78 1spx h GLN 73 CO -0.01 -0.11 0.57 -0.44 -0.67 0.00 0.00 178.83 178.17 1spx h ASP 74 N -0.17 1.11 -0.30 1.46 3.32 -0.99 -1.82 116.42 119.04 1spx h ASP 74 Ca 0.09 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1spx h ASP 74 Cb 0.30 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1spx h ASP 74 CO -0.22 0.85 0.09 -0.08 -1.72 0.00 0.00 179.24 178.16 1spx h GLU 75 N 1.28 0.46 -0.44 3.56 4.57 -0.36 0.59 114.58 124.24 1spx h GLU 75 Ca 0.34 -0.10 0.07 0.00 -1.18 0.00 0.00 59.36 58.48 1spx h GLU 75 Cb -0.07 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.40 1spx h GLU 75 CO -0.06 0.51 0.12 0.82 -1.18 0.00 0.00 179.01 179.21 1spx h ILE 76 N 0.32 0.80 -0.03 2.32 2.04 -0.59 -1.35 117.51 121.01 1spx h ILE 76 Ca 0.10 -0.09 -0.14 0.00 1.00 0.00 0.00 64.86 65.73 1spx h ILE 76 Cb 0.24 0.52 0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1spx h ILE 76 CO -0.00 0.05 -0.52 0.25 0.00 0.00 0.00 178.15 177.92 1spx h LEU 77 N 0.26 0.52 -0.66 1.44 5.85 -1.14 -3.11 115.31 118.46 1spx h LEU 77 Ca 0.21 -0.72 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 1spx h LEU 77 Cb 0.25 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1spx h LEU 77 CO -0.26 1.16 0.33 0.77 -0.34 0.00 0.00 178.44 180.11 1spx h SER 78 N -0.08 0.85 0.33 1.25 4.64 0.30 -2.06 113.55 118.78 1spx h SER 78 Ca -0.06 -0.12 -0.10 0.00 -0.47 0.00 0.00 61.79 61.05 1spx h SER 78 Cb 1.22 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 1spx h SER 78 CO 0.10 0.73 -0.41 0.71 -0.87 0.00 0.00 176.83 177.09 1spx h THR 79 N 0.91 1.31 -0.19 2.95 1.35 -1.36 -0.67 112.91 117.21 1spx h THR 79 Ca 0.23 -1.48 -0.16 0.00 -0.55 0.00 0.00 66.41 64.45 1spx h THR 79 Cb 0.09 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1spx h THR 79 CO -0.03 0.43 -0.50 0.00 -0.25 0.00 0.00 175.52 175.17 1spx h THR 80 N 0.10 1.31 -0.13 6.82 1.03 -1.41 -1.83 112.91 118.81 1spx h THR 80 Ca 0.01 -1.73 -0.13 0.00 -0.01 0.00 0.00 66.41 64.54 1spx h THR 80 Cb 0.78 1.89 -0.01 0.00 -1.07 0.00 0.00 68.15 69.74 1spx h THR 80 CO 0.06 0.54 -0.50 -0.07 -0.01 0.00 0.00 175.52 175.54 1spx h LEU 81 N 0.38 0.38 0.12 0.00 3.38 -1.28 0.49 115.31 118.78 1spx h LEU 81 Ca -0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1spx h LEU 81 Cb 1.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1spx h LEU 81 CO 0.11 0.82 -0.06 1.23 0.09 0.00 0.00 178.44 180.63 1spx h GLY 82 N 1.25 -0.17 1.45 0.83 0.00 -1.09 0.29 103.07 105.63 1spx h GLY 82 Ca 0.01 0.06 -0.21 0.00 0.00 0.00 0.00 47.33 47.20 1spx h GLY 82 CO 0.08 -0.06 -0.80 0.50 0.00 0.00 0.00 176.54 176.27 1spx h LYS 83 N -0.55 0.53 0.00 4.80 1.57 -1.35 -3.36 116.57 118.21 1spx h LYS 83 Ca -0.02 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1spx h LYS 83 Cb 0.44 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1spx h LYS 83 CO 0.03 1.09 -0.84 1.19 -0.57 0.00 0.00 179.45 180.35 1spx n PHE 84 N -3.85 0.00 0.00 -1.35 3.72 0.16 -5.02 117.46 111.12 1spx n PHE 84 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1spx n PHE 84 Cb 0.75 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 1spx n PHE 84 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1spx n GLY 85 N 1.41 2.77 3.83 1.37 0.00 0.10 -4.93 105.19 109.75 1spx n GLY 85 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 1spx n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1spx s LYS 86 N 0.00 1.78 -0.05 1.61 -2.85 -1.26 -4.95 119.74 114.02 1spx s LYS 86 Ca 0.00 -1.12 -0.02 0.00 -1.00 0.00 0.00 55.97 53.83 1spx s LYS 86 Cb 0.00 0.51 0.04 0.00 -2.06 0.00 0.00 37.83 36.32 1spx s LYS 86 CO 0.00 -0.83 0.09 -1.17 0.10 0.00 0.00 175.35 173.54 1spx s LEU 87 N -3.16 0.47 -0.14 2.77 2.96 -1.26 -4.62 118.68 115.70 1spx s LEU 87 Ca 0.17 0.16 0.03 0.00 -0.22 0.00 0.00 54.13 54.28 1spx s LEU 87 Cb -0.04 0.06 -0.11 0.00 0.50 0.00 0.00 46.19 46.60 1spx s LEU 87 CO 0.08 -0.20 -0.08 0.47 -1.32 0.00 0.00 176.35 175.30 1spx n ASP 88 N 4.79 2.70 -4.00 3.68 8.00 0.26 -4.18 116.55 127.80 1spx n ASP 88 Ca -0.15 -0.06 -0.20 0.00 0.71 0.00 0.00 54.79 55.09 1spx n ASP 88 Cb 0.50 0.04 -0.15 0.00 -0.02 0.00 0.00 41.12 41.49 1spx n ASP 88 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1spx s ILE 89 N -2.29 0.76 -0.15 0.53 1.01 -0.22 -0.46 121.20 120.38 1spx s ILE 89 Ca -0.16 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1spx s ILE 89 Cb 0.05 -0.67 0.03 0.00 0.01 0.00 0.00 42.46 41.88 1spx s ILE 89 CO 0.37 0.24 -0.09 -0.22 0.00 0.00 0.00 174.94 175.23 1spx s LEU 90 N 0.14 1.67 -0.41 2.97 2.96 -0.48 -0.43 118.68 125.09 1spx s LEU 90 Ca -0.02 -0.57 -0.09 0.00 -0.22 0.00 0.00 54.13 53.23 1spx s LEU 90 Cb -0.08 -1.04 0.07 0.00 0.50 0.00 0.00 46.19 45.64 1spx s LEU 90 CO 0.00 -0.12 0.24 -0.69 -1.32 0.00 0.00 176.35 174.47 1spx s VAL 91 N 1.56 4.27 -0.92 1.68 1.01 -0.07 -1.10 120.40 126.82 1spx s VAL 91 Ca 0.03 -1.30 -0.22 0.00 0.00 0.00 0.00 61.98 60.49 1spx s VAL 91 Cb -0.14 -3.57 0.07 0.00 0.00 0.00 0.00 36.38 32.74 1spx s VAL 91 CO -0.09 -0.45 1.28 0.20 0.00 0.00 0.00 175.10 176.05 1spx s ASN 92 N 2.00 6.46 -0.42 3.32 0.02 -0.20 -2.42 114.94 123.71 1spx s ASN 92 Ca 0.03 -1.45 0.05 0.00 -1.02 0.00 0.00 52.86 50.46 1spx s ASN 92 Cb -0.22 -2.50 0.44 0.00 0.02 0.00 0.00 41.25 38.98 1spx s ASN 92 CO 0.03 -1.41 1.31 -3.20 0.02 0.00 0.00 177.10 173.85 1spx n ASN 93 N 8.14 5.34 -4.76 -1.22 4.05 -1.25 -1.28 115.26 124.27 1spx n ASN 93 Ca 0.23 -3.75 -0.39 0.00 0.45 0.00 0.00 54.58 51.12 1spx n ASN 93 Cb 0.50 -0.50 -0.06 0.00 1.23 0.00 0.00 39.78 40.95 1spx n ASN 93 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1spx s ALA 94 N -3.64 3.50 0.00 5.20 0.00 -1.26 -3.68 121.76 121.88 1spx s ALA 94 Ca 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.47 1spx s ALA 94 Cb 0.42 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.83 1spx s ALA 94 CO -0.07 0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.28 1spx n GLY 95 N 2.47 1.77 0.00 0.00 0.00 -1.26 -4.58 105.19 103.59 1spx n GLY 95 Ca -0.07 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.82 1spx n GLY 95 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1spx n GLN 109 N 0.01 0.00 -0.99 1.61 -0.06 -1.26 -5.04 117.38 111.66 1spx n GLN 109 Ca 0.00 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.68 1spx n GLN 109 Cb 0.00 0.00 0.13 0.00 -4.06 0.00 0.00 30.24 26.31 1spx n GLN 109 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1spx s SER 110 N 0.00 3.54 0.45 1.69 1.04 -1.26 -4.89 113.70 114.28 1spx s SER 110 Ca 0.00 2.15 0.23 0.00 0.48 0.00 0.00 55.95 58.81 1spx s SER 110 Cb 0.00 -2.56 1.07 0.00 0.10 0.00 0.00 66.02 64.63 1spx s SER 110 CO 0.00 -2.69 1.91 0.40 0.98 0.00 0.00 173.24 173.84 1spx h ILE 111 N -1.35 0.72 -0.53 -1.02 1.08 -2.05 -2.27 117.51 112.09 1spx h ILE 111 Ca -0.44 -0.97 -0.04 0.00 -0.39 0.00 0.00 64.86 63.01 1spx h ILE 111 Cb 1.27 1.61 -0.02 0.00 -3.07 0.00 0.00 36.82 36.60 1spx h ILE 111 CO 0.45 0.22 0.16 -0.33 -0.69 0.00 0.00 178.15 177.97 1spx h GLU 112 N 0.00 0.83 -0.19 2.37 3.07 -1.99 0.36 114.58 119.03 1spx h GLU 112 Ca -0.00 -0.18 -0.10 0.00 -0.50 0.00 0.00 59.36 58.58 1spx h GLU 112 Cb 0.59 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 1spx h GLU 112 CO 0.03 0.77 -0.31 0.77 -1.40 0.00 0.00 179.01 178.87 1spx h SER 113 N 0.74 0.38 0.13 1.42 0.02 -1.79 -1.72 113.55 112.71 1spx h SER 113 Ca 0.17 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1spx h SER 113 Cb 0.29 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1spx h SER 113 CO -0.00 0.67 -0.06 0.22 -1.14 0.00 0.00 176.83 176.52 1spx h TYR 114 N 0.32 -0.16 -0.29 3.45 3.20 -0.84 0.15 116.97 122.81 1spx h TYR 114 Ca 0.04 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.94 1spx h TYR 114 Cb 0.71 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.00 1spx h TYR 114 CO 0.02 -0.07 0.10 -0.44 -1.64 0.00 0.00 178.16 176.13 1spx h ASP 115 N -0.21 0.10 -0.41 -2.11 3.32 -0.66 -0.08 116.42 116.39 1spx h ASP 115 Ca -0.02 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1spx h ASP 115 Cb 0.16 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1spx h ASP 115 CO 0.03 0.09 0.16 0.00 -1.72 0.00 0.00 179.24 177.80 1spx h ALA 116 N 1.18 0.53 -0.31 3.45 0.00 -1.24 -0.88 119.26 121.99 1spx h ALA 116 Ca 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1spx h ALA 116 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1spx h ALA 116 CO -0.13 0.14 0.16 1.15 0.00 0.00 0.00 179.25 180.57 1spx h THR 117 N 0.52 1.15 -0.08 0.00 2.02 -0.65 -2.35 112.91 113.52 1spx h THR 117 Ca 0.14 -0.42 -0.14 0.00 0.77 0.00 0.00 66.41 66.75 1spx h THR 117 Cb 0.20 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1spx h THR 117 CO -0.01 0.15 -0.58 -0.07 0.37 0.00 0.00 175.52 175.38 1spx h LEU 118 N 0.37 0.28 -0.28 2.58 4.07 -0.97 -1.23 115.31 120.14 1spx h LEU 118 Ca 0.11 -0.16 0.01 0.00 0.08 0.00 0.00 57.88 57.92 1spx h LEU 118 Cb 0.10 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.75 1spx h LEU 118 CO -0.01 0.80 0.16 -1.13 -1.08 0.00 0.00 178.44 177.18 1spx h ASN 119 N 0.19 0.27 0.01 -0.43 -1.24 -1.00 0.09 115.58 113.47 1spx h ASN 119 Ca -0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1spx h ASN 119 Cb 1.08 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.07 1spx h ASN 119 CO 0.09 0.19 -0.01 0.25 -1.29 0.00 0.00 177.43 176.67 1spx h LEU 120 N 0.33 -0.02 -0.56 0.34 5.85 -1.37 -0.64 115.31 119.25 1spx h LEU 120 Ca 0.11 -0.72 -0.04 0.00 0.84 0.00 0.00 57.88 58.06 1spx h LEU 120 Cb -0.01 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1spx h LEU 120 CO -0.05 0.73 -0.19 0.78 -0.34 0.00 0.00 178.44 179.38 1spx h ASN 121 N -0.78 0.00 0.00 1.25 2.35 -1.26 -3.38 115.58 113.75 1spx h ASN 121 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1spx h ASN 121 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1spx h ASN 121 CO 0.00 0.19 0.00 -0.11 -1.65 0.00 0.00 177.43 175.86 1spx n LEU 122 N -3.21 0.78 -0.06 1.61 7.94 -0.10 -4.70 117.00 119.26 1spx n LEU 122 Ca 0.02 0.15 -0.08 0.00 -1.11 0.00 0.00 56.01 54.99 1spx n LEU 122 Cb 0.52 -0.20 -0.02 0.00 0.53 0.00 0.00 43.42 44.25 1spx n LEU 122 CO 0.34 -0.72 0.69 -0.09 -1.11 0.00 0.00 177.39 176.51 1spx h ARG 123 N 0.00 -0.24 -0.22 1.96 2.43 -1.24 -1.50 114.38 115.58 1spx h ARG 123 Ca 0.00 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1spx h ARG 123 Cb 0.00 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1spx h ARG 123 CO 0.00 -0.16 0.03 0.66 -1.51 0.00 0.00 179.97 178.99 1spx h SER 124 N -0.25 0.29 -0.30 -3.80 4.64 -1.29 -0.72 113.55 112.13 1spx h SER 124 Ca 0.14 -0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.32 1spx h SER 124 Cb 0.47 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1spx h SER 124 CO -0.40 0.32 -0.25 0.58 -0.87 0.00 0.00 176.83 176.21 1spx h VAL 125 N 0.31 1.30 -0.36 0.95 2.07 -1.60 -0.83 116.25 118.10 1spx h VAL 125 Ca 0.08 -1.40 -0.04 0.00 0.82 0.00 0.00 66.70 66.15 1spx h VAL 125 Cb 0.17 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1spx h VAL 125 CO 0.00 0.45 0.06 0.40 0.02 0.00 0.00 177.57 178.50 1spx h ILE 126 N 0.44 1.24 -0.32 4.57 2.04 -0.85 -0.94 117.51 123.70 1spx h ILE 126 Ca 0.05 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 1spx h ILE 126 Cb 0.81 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1spx h ILE 126 CO 0.06 0.29 0.10 0.00 0.00 0.00 0.00 178.15 178.60 1spx h ALA 127 N 0.90 0.41 -0.32 1.87 0.00 -1.11 -1.25 119.26 119.76 1spx h ALA 127 Ca 0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1spx h ALA 127 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1spx h ALA 127 CO 0.01 0.05 0.04 1.25 0.00 0.00 0.00 179.25 180.60 1spx h LEU 128 N 0.36 0.51 -0.45 0.00 5.85 -1.12 -2.89 115.31 117.57 1spx h LEU 128 Ca 0.10 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.57 1spx h LEU 128 Cb 0.24 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1spx h LEU 128 CO -0.00 0.65 0.28 0.74 -0.34 0.00 0.00 178.44 179.76 1spx h THR 129 N 0.35 1.07 -0.86 1.05 2.02 -1.08 -1.01 112.91 114.45 1spx h THR 129 Ca 0.10 -0.19 0.08 0.00 0.77 0.00 0.00 66.41 67.17 1spx h THR 129 Cb 0.36 0.46 -0.06 0.00 -1.74 0.00 0.00 68.15 67.17 1spx h THR 129 CO 0.01 0.10 0.56 0.11 0.37 0.00 0.00 175.52 176.67 1spx h LYS 130 N 0.56 0.87 -0.04 6.66 1.57 -1.18 0.51 116.57 125.52 1spx h LYS 130 Ca 0.18 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.76 1spx h LYS 130 Cb -0.01 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1spx h LYS 130 CO -0.07 0.58 -0.62 0.87 -0.57 0.00 0.00 179.45 179.63 1spx h LYS 131 N 0.90 0.17 0.04 3.15 1.57 -1.15 -3.23 116.57 118.01 1spx h LYS 131 Ca 0.39 -0.12 -0.22 0.00 -1.87 0.00 0.00 60.65 58.82 1spx h LYS 131 Cb 0.33 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1spx h LYS 131 CO -0.15 0.74 -1.04 0.00 -0.57 0.00 0.00 179.45 178.42 1spx h ALA 132 N 1.23 0.32 -0.96 3.86 0.00 0.01 -3.39 119.26 120.34 1spx h ALA 132 Ca -0.01 -0.87 0.14 0.00 0.00 0.00 0.00 54.91 54.17 1spx h ALA 132 Cb 1.13 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.66 1spx h ALA 132 CO 0.09 1.12 -0.38 0.28 0.00 0.00 0.00 179.25 180.36 1spx n VAL 133 N -3.45 -0.51 -0.26 0.00 0.31 0.05 -1.01 118.33 113.47 1spx n VAL 133 Ca -0.03 2.24 0.05 0.00 -0.01 0.00 0.00 64.34 66.60 1spx n VAL 133 Cb 0.94 -2.95 0.19 0.00 -0.91 0.00 0.00 33.84 31.11 1spx n VAL 133 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1spx h PRO 134 N 0.00 0.42 -0.09 5.55 0.11 -1.78 0.62 132.00 136.82 1spx h PRO 134 Ca 0.32 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 66.23 1spx h PRO 134 Cb 0.56 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 1spx h PRO 134 CO -0.95 0.27 -0.69 0.45 -0.21 0.00 0.00 178.00 176.88 1spx h HIS 135 N 0.43 0.52 -0.11 0.65 3.86 -1.34 -2.90 115.15 116.26 1spx h HIS 135 Ca 0.42 -0.22 -0.12 0.00 -1.16 0.00 0.00 60.37 59.29 1spx h HIS 135 Cb 0.65 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 1spx h HIS 135 CO -0.17 0.96 -0.45 -0.07 0.86 0.00 0.00 177.93 179.06 1spx h LEU 136 N 0.27 0.29 -0.75 2.43 3.38 -0.41 -2.74 115.31 117.78 1spx h LEU 136 Ca -0.02 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1spx h LEU 136 Cb 1.25 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 1spx h LEU 136 CO 0.12 0.70 0.28 0.28 0.09 0.00 0.00 178.44 179.92 1spx h SER 137 N 0.22 1.05 -0.47 -0.43 0.02 -0.81 0.31 113.55 113.44 1spx h SER 137 Ca 0.02 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1spx h SER 137 Cb 0.89 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1spx h SER 137 CO 0.07 0.95 0.29 0.28 -1.14 0.00 0.00 176.83 177.27 1spx h SER 138 N 1.09 0.58 -0.29 3.07 0.02 -1.28 -2.53 113.55 114.20 1spx h SER 138 Ca 0.25 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1spx h SER 138 Cb 0.24 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1spx h SER 138 CO -0.02 0.45 0.00 0.35 -1.14 0.00 0.00 176.83 176.48 1spx n THR 139 N -4.43 0.43 -3.69 -2.27 -2.24 -1.07 -4.95 114.28 96.07 1spx n THR 139 Ca 0.04 -0.72 -0.24 0.00 -2.27 0.00 0.00 64.05 60.87 1spx n THR 139 Cb 0.08 1.03 0.03 0.00 -2.10 0.00 0.00 70.33 69.37 1spx n THR 139 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1spx n LYS 140 N 1.25 -3.59 0.00 -0.78 5.02 -0.10 -4.95 118.16 115.01 1spx n LYS 140 Ca 0.16 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 1spx n LYS 140 Cb 0.54 -4.91 0.00 0.00 -0.02 0.00 0.00 35.03 30.64 1spx n LYS 140 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1spx n GLY 141 N -1.62 -1.74 3.05 0.72 0.00 0.91 -4.77 105.19 101.74 1spx n GLY 141 Ca -0.23 -1.53 -0.16 0.00 0.00 0.00 0.00 46.02 44.10 1spx n GLY 141 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1spx s GLU 142 N -1.84 0.60 -0.07 1.61 0.41 0.39 -1.78 118.70 118.01 1spx s GLU 142 Ca 0.00 -0.59 0.04 0.00 -0.41 0.00 0.00 54.97 54.01 1spx s GLU 142 Cb 0.00 -0.49 0.00 0.00 -1.78 0.00 0.00 34.13 31.86 1spx s GLU 142 CO 0.00 0.11 -0.19 0.42 -0.49 0.00 0.00 175.26 175.11 1spx s ILE 143 N -0.87 1.63 -0.22 -1.63 -1.09 0.61 -1.38 121.20 118.25 1spx s ILE 143 Ca -0.04 -0.79 -0.00 0.00 -2.23 0.00 0.00 60.65 57.59 1spx s ILE 143 Cb -0.07 -1.42 0.06 0.00 -1.58 0.00 0.00 42.46 39.45 1spx s ILE 143 CO 0.00 0.46 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.46 1spx s VAL 144 N 0.31 1.19 -0.14 2.92 1.01 -0.26 -1.81 120.40 123.62 1spx s VAL 144 Ca -0.12 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 60.71 1spx s VAL 144 Cb -0.15 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1spx s VAL 144 CO 0.05 -0.12 0.46 0.20 0.00 0.00 0.00 175.10 175.70 1spx s ASN 145 N 1.56 6.63 -0.35 3.32 0.02 -0.09 -1.04 114.94 124.99 1spx s ASN 145 Ca -0.04 0.75 -0.17 0.00 -1.02 0.00 0.00 52.86 52.38 1spx s ASN 145 Cb -0.18 -2.27 -0.00 0.00 0.02 0.00 0.00 41.25 38.81 1spx s ASN 145 CO -0.07 -0.02 0.48 -0.63 0.02 0.00 0.00 177.10 176.88 1spx s ILE 146 N 0.80 5.05 0.00 0.60 -1.09 -0.41 -0.92 121.20 125.24 1spx s ILE 146 Ca 0.24 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 58.92 1spx s ILE 146 Cb -0.15 -3.93 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 1spx s ILE 146 CO 0.09 -0.19 0.00 -0.24 -1.23 0.00 0.00 174.94 173.37 1spx n SER 147 N 5.66 0.00 -3.61 3.58 2.88 0.12 -4.84 113.62 117.42 1spx n SER 147 Ca -0.06 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.42 1spx n SER 147 Cb 0.49 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.91 1spx n SER 147 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1spx s SER 148 N -0.51 -0.20 0.00 -3.46 0.15 -1.26 -4.37 113.70 104.05 1spx s SER 148 Ca 0.00 0.19 0.16 0.00 0.70 0.00 0.00 55.95 56.99 1spx s SER 148 Cb 0.00 0.17 0.93 0.00 -1.71 0.00 0.00 66.02 65.41 1spx s SER 148 CO 0.00 -0.20 1.35 2.30 1.20 0.00 0.00 173.24 177.88 1spx n ILE 149 N 0.51 0.00 0.27 6.45 -5.35 -1.03 -0.93 119.36 119.28 1spx n ILE 149 Ca -0.04 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.56 1spx n ILE 149 Cb 0.58 -0.71 0.77 0.00 -1.74 0.00 0.00 39.64 38.54 1spx n ILE 149 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1spx h ALA 150 N 2.98 1.46 -3.16 -1.28 0.00 -1.93 -3.37 119.26 113.95 1spx h ALA 150 Ca 0.00 -0.07 -0.61 0.00 0.00 0.00 0.00 54.91 54.23 1spx h ALA 150 Cb 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.64 1spx h ALA 150 CO 0.00 0.10 -0.51 0.45 0.00 0.00 0.00 179.25 179.29 1spx s SER 151 N -6.30 6.10 0.00 0.00 0.15 -0.11 -4.69 113.70 108.86 1spx s SER 151 Ca -0.04 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1spx s SER 151 Cb 0.14 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 1spx s SER 151 CO 0.59 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.75 1spx n GLY 152 N 3.97 -1.00 2.36 9.45 0.00 -1.26 -4.87 105.19 113.85 1spx n GLY 152 Ca -0.15 -1.21 -0.38 0.00 0.00 0.00 0.00 46.02 44.28 1spx n GLY 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1spx n LEU 153 N 0.00 8.34 -3.81 0.99 4.77 -1.26 -4.76 117.00 121.27 1spx n LEU 153 Ca 0.00 -4.22 -0.04 0.00 -0.03 0.00 0.00 56.01 51.71 1spx n LEU 153 Cb 0.00 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.57 1spx n LEU 153 CO 0.00 1.89 0.71 -1.38 -1.33 0.00 0.00 177.39 177.28 1spx s HIS 154 N 2.34 -0.03 0.18 -1.77 -3.43 -1.26 -5.17 115.29 106.16 1spx s HIS 154 Ca 0.66 -0.37 -0.07 0.00 -0.80 0.00 0.00 55.06 54.48 1spx s HIS 154 Cb 0.17 0.69 -0.06 0.00 -1.43 0.00 0.00 32.58 31.95 1spx s HIS 154 CO -0.06 -1.00 0.45 0.00 -2.00 0.00 0.00 174.74 172.14 1spx s ALA 155 N -2.84 3.69 -0.39 -1.38 0.00 -1.26 -5.01 121.76 114.58 1spx s ALA 155 Ca 0.16 -0.44 0.09 0.00 0.00 0.00 0.00 51.96 51.77 1spx s ALA 155 Cb -0.03 -2.26 0.28 0.00 0.00 0.00 0.00 23.12 21.11 1spx s ALA 155 CO 0.05 0.59 0.59 2.41 0.00 0.00 0.00 175.76 179.40 1spx n THR 156 N -0.04 -0.52 0.29 0.00 -1.04 -1.26 -4.99 114.28 106.71 1spx n THR 156 Ca -0.01 -4.12 0.14 0.00 -2.04 0.00 0.00 64.05 58.03 1spx n THR 156 Cb 0.52 -1.36 0.87 0.00 -1.82 0.00 0.00 70.33 68.53 1spx n THR 156 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1spx h PRO 157 N 3.69 0.00 0.00 -2.82 0.13 -1.97 -2.66 132.00 128.37 1spx h PRO 157 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1spx h PRO 157 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1spx h PRO 157 CO 0.47 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 178.01 1spx n ASP 158 N -3.84 0.56 -3.18 1.44 8.00 -1.26 -3.82 116.55 114.45 1spx n ASP 158 Ca -0.03 0.59 -0.21 0.00 0.71 0.00 0.00 54.79 55.85 1spx n ASP 158 Cb 0.11 -0.73 -0.05 0.00 -0.02 0.00 0.00 41.12 40.44 1spx n ASP 158 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1spx n PHE 159 N -2.06 0.53 -0.20 1.24 3.72 -1.00 -5.01 117.46 114.67 1spx n PHE 159 Ca 0.04 -3.77 -0.02 0.00 -0.05 0.00 0.00 57.45 53.66 1spx n PHE 159 Cb 0.32 -0.41 0.05 0.00 -0.94 0.00 0.00 39.48 38.50 1spx n PHE 159 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1spx h PRO 160 N 3.39 -0.04 0.02 -1.08 0.13 -1.66 -1.45 132.00 131.32 1spx h PRO 160 Ca 0.10 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.91 1spx h PRO 160 Cb 0.88 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.97 1spx h PRO 160 CO 0.53 -0.03 -1.87 0.66 -0.23 0.00 0.00 178.00 177.07 1spx n TYR 161 N -5.43 0.90 -0.20 1.56 4.01 -1.26 -3.63 117.16 113.11 1spx n TYR 161 Ca 0.07 0.29 -0.07 0.00 -0.16 0.00 0.00 57.90 58.02 1spx n TYR 161 Cb 0.33 -1.15 0.02 0.00 -0.31 0.00 0.00 39.34 38.23 1spx n TYR 161 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1spx h TYR 162 N 0.01 0.81 -0.42 -0.72 3.20 -1.93 -1.73 116.97 116.19 1spx h TYR 162 Ca -0.35 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.43 1spx h TYR 162 Cb 2.04 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 40.05 1spx h TYR 162 CO 0.02 0.63 0.10 0.66 -1.64 0.00 0.00 178.16 177.93 1spx h SER 163 N 0.75 0.64 0.46 -2.11 4.64 -1.42 -1.55 113.55 114.96 1spx h SER 163 Ca 0.19 -0.23 -0.12 0.00 -0.47 0.00 0.00 61.79 61.16 1spx h SER 163 Cb 0.14 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1spx h SER 163 CO -0.02 0.71 -0.53 0.16 -0.87 0.00 0.00 176.83 176.28 1spx h ILE 164 N 0.54 1.37 -0.55 0.95 3.07 -1.60 -0.03 117.51 121.26 1spx h ILE 164 Ca 0.13 -1.81 -0.11 0.00 1.55 0.00 0.00 64.86 64.62 1spx h ILE 164 Cb 0.32 1.95 -0.02 0.00 -0.27 0.00 0.00 36.82 38.80 1spx h ILE 164 CO 0.00 0.52 -0.08 0.00 -1.05 0.00 0.00 178.15 177.55 1spx h ALA 165 N 1.40 0.81 -0.08 0.16 0.00 -1.14 -1.60 119.26 118.81 1spx h ALA 165 Ca -0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 1spx h ALA 165 Cb 0.96 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1spx h ALA 165 CO 0.07 0.67 -0.52 0.87 0.00 0.00 0.00 179.25 180.34 1spx h LYS 166 N 0.91 0.23 -0.56 0.00 1.79 -0.89 -1.16 116.57 116.90 1spx h LYS 166 Ca 0.15 -0.14 -0.05 0.00 -2.18 0.00 0.00 60.65 58.43 1spx h LYS 166 Cb 0.64 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.27 1spx h LYS 166 CO 0.04 0.70 0.14 0.00 -1.08 0.00 0.00 179.45 179.25 1spx h ALA 167 N 1.28 1.19 -0.11 3.86 0.00 -0.63 -0.19 119.26 124.65 1spx h ALA 167 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1spx h ALA 167 Cb 0.98 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1spx h ALA 167 CO 0.08 0.56 -0.48 0.00 0.00 0.00 0.00 179.25 179.41 1spx h ALA 168 N 1.32 0.99 -0.68 0.00 0.00 -0.87 -2.36 119.26 117.65 1spx h ALA 168 Ca 0.18 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1spx h ALA 168 Cb 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1spx h ALA 168 CO -0.00 0.64 0.18 0.82 0.00 0.00 0.00 179.25 180.89 1spx h ILE 169 N 0.23 1.26 -0.11 0.00 1.08 -0.15 0.24 117.51 120.06 1spx h ILE 169 Ca 0.01 -0.94 -0.00 0.00 -0.39 0.00 0.00 64.86 63.54 1spx h ILE 169 Cb 0.93 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 1spx h ILE 169 CO 0.08 0.36 0.06 0.44 -0.69 0.00 0.00 178.15 178.39 1spx h ASP 170 N 1.02 0.15 -0.53 1.72 5.19 -0.84 0.13 116.42 123.25 1spx h ASP 170 Ca 0.22 -0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.49 1spx h ASP 170 Cb 0.35 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.80 1spx h ASP 170 CO -0.00 0.21 0.24 -0.61 -3.12 0.00 0.00 179.24 175.96 1spx h GLN 171 N 0.07 0.77 -0.94 3.56 5.75 -1.23 -1.85 115.11 121.24 1spx h GLN 171 Ca 0.04 -0.12 0.03 0.00 -0.15 0.00 0.00 58.65 58.44 1spx h GLN 171 Cb 0.11 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.47 1spx h GLN 171 CO -0.01 0.65 0.62 -0.92 -2.65 0.00 0.00 178.83 176.53 1spx h TYR 172 N 0.71 1.16 -0.21 3.99 3.20 -0.25 -0.10 116.97 125.46 1spx h TYR 172 Ca 0.18 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 1spx h TYR 172 Cb 0.15 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 1spx h TYR 172 CO -0.00 0.69 0.09 1.15 -1.64 0.00 0.00 178.16 178.45 1spx h THR 173 N 1.21 1.15 -0.25 1.81 2.02 -0.21 0.18 112.91 118.83 1spx h THR 173 Ca 0.37 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1spx h THR 173 Cb -0.03 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1spx h THR 173 CO -0.10 0.15 0.13 0.03 0.37 0.00 0.00 175.52 176.10 1spx h ARG 174 N 0.20 0.34 0.21 6.66 3.08 -0.80 -0.72 114.38 123.35 1spx h ARG 174 Ca 0.07 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1spx h ARG 174 Cb 0.15 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1spx h ARG 174 CO -0.01 0.31 -0.17 -0.91 -1.07 0.00 0.00 179.97 178.12 1spx h ASN 175 N 0.29 -0.44 0.42 7.04 2.35 -0.88 -2.83 115.58 121.53 1spx h ASN 175 Ca 0.09 0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.81 1spx h ASN 175 Cb 0.06 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1spx h ASN 175 CO -0.01 -0.26 -0.32 0.71 -1.65 0.00 0.00 177.43 175.90 1spx h THR 176 N -0.39 1.08 -0.57 2.81 1.35 -0.93 -2.27 112.91 113.99 1spx h THR 176 Ca -0.01 -1.14 -0.02 0.00 -0.55 0.00 0.00 66.41 64.69 1spx h THR 176 Cb 0.35 1.64 -0.03 0.00 -1.73 0.00 0.00 68.15 68.38 1spx h THR 176 CO -0.02 0.31 0.28 0.00 -0.25 0.00 0.00 175.52 175.85 1spx h ALA 177 N 1.68 0.73 -0.20 6.62 0.00 -0.89 0.33 119.26 127.53 1spx h ALA 177 Ca -0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1spx h ALA 177 Cb 0.61 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1spx h ALA 177 CO 0.04 0.29 -0.54 0.82 0.00 0.00 0.00 179.25 179.86 1spx h ILE 178 N 0.77 1.31 -0.07 0.00 1.08 -1.27 -2.48 117.51 116.84 1spx h ILE 178 Ca 0.20 -1.76 -0.04 0.00 -0.39 0.00 0.00 64.86 62.87 1spx h ILE 178 Cb 0.10 1.87 -0.00 0.00 -3.07 0.00 0.00 36.82 35.72 1spx h ILE 178 CO -0.03 0.56 -0.10 -0.78 -0.69 0.00 0.00 178.15 177.11 1spx h ASP 179 N 0.43 0.22 1.45 1.72 3.58 -1.27 -3.33 116.42 119.22 1spx h ASP 179 Ca -0.01 -0.52 -0.01 0.00 0.42 0.00 0.00 57.03 56.91 1spx h ASP 179 Cb 1.16 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.15 1spx h ASP 179 CO 0.12 0.69 -0.03 -0.07 -2.88 0.00 0.00 179.24 177.07 1spx h LEU 180 N -0.25 0.00 -1.86 2.28 3.38 -0.43 -3.11 115.31 115.32 1spx h LEU 180 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1spx h LEU 180 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1spx h LEU 180 CO 0.02 0.03 0.00 -0.29 0.09 0.00 0.00 178.44 178.29 1spx h ILE 181 N 0.00 0.00 0.00 1.22 6.09 -1.30 0.11 117.51 123.63 1spx h ILE 181 Ca -0.00 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 1spx h ILE 181 Cb 0.76 1.18 0.00 0.00 0.47 0.00 0.00 36.82 39.23 1spx h ILE 181 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.08 1spx n GLN 182 N -2.90 0.07 -0.39 2.19 1.13 -1.17 -2.00 117.38 114.30 1spx n GLN 182 Ca -0.01 0.21 0.09 0.00 -1.94 0.00 0.00 57.00 55.35 1spx n GLN 182 Cb 0.19 -1.60 0.24 0.00 0.11 0.00 0.00 30.24 29.18 1spx n GLN 182 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1spx n HIS 183 N -1.73 0.82 -1.09 1.08 8.25 0.33 -4.95 115.22 117.94 1spx n HIS 183 Ca 0.04 -0.88 -0.03 0.00 -0.26 0.00 0.00 57.72 56.60 1spx n HIS 183 Cb 0.26 -0.29 -0.01 0.00 1.12 0.00 0.00 29.99 31.07 1spx n HIS 183 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1spx n GLY 184 N -0.57 0.62 3.57 -1.41 0.00 -0.85 -4.50 105.19 102.05 1spx n GLY 184 Ca 0.20 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 1spx n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1spx s ILE 185 N -2.01 4.42 -0.17 -0.61 1.01 -0.92 -3.79 121.20 119.14 1spx s ILE 185 Ca 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 60.65 60.34 1spx s ILE 185 Cb 0.00 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 1spx s ILE 185 CO 0.00 0.47 0.33 -0.13 0.00 0.00 0.00 174.94 175.60 1spx s ARG 186 N 0.43 4.24 -0.08 2.79 0.52 -0.73 -2.87 118.95 123.24 1spx s ARG 186 Ca 0.00 0.13 0.04 0.00 -0.52 0.00 0.00 55.73 55.38 1spx s ARG 186 Cb -0.13 -3.46 0.00 0.00 0.52 0.00 0.00 34.95 31.88 1spx s ARG 186 CO 0.01 0.16 -0.20 0.08 0.02 0.00 0.00 175.30 175.38 1spx s VAL 187 N 0.71 1.70 0.23 3.52 1.01 -1.26 -0.29 120.40 126.02 1spx s VAL 187 Ca 0.17 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 1spx s VAL 187 Cb -0.14 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 1spx s VAL 187 CO 0.05 0.48 0.33 0.20 0.00 0.00 0.00 175.10 176.17 1spx s ASN 188 N 0.36 0.01 0.09 3.32 0.01 -0.75 0.26 114.94 118.25 1spx s ASN 188 Ca -0.14 -1.12 0.01 0.00 -0.71 0.00 0.00 52.86 50.89 1spx s ASN 188 Cb -0.16 0.50 -0.04 0.00 0.41 0.00 0.00 41.25 41.96 1spx s ASN 188 CO 0.06 -1.02 -0.03 -0.94 -1.51 0.00 0.00 177.10 173.66 1spx s SER 189 N -3.08 0.84 -0.04 -1.22 1.04 -0.48 -0.91 113.70 109.85 1spx s SER 189 Ca 0.29 -1.05 0.03 0.00 0.48 0.00 0.00 55.95 55.71 1spx s SER 189 Cb 0.02 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1spx s SER 189 CO 0.10 -0.55 -0.12 -0.63 0.98 0.00 0.00 173.24 173.02 1spx s ILE 190 N -3.78 1.04 -0.55 -1.02 1.01 -0.09 -0.66 121.20 117.14 1spx s ILE 190 Ca 0.13 -0.48 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 1spx s ILE 190 Cb 0.07 -0.92 0.14 0.00 0.01 0.00 0.00 42.46 41.76 1spx s ILE 190 CO -0.05 0.32 0.35 -0.44 0.00 0.00 0.00 174.94 175.12 1spx s SER 191 N 0.25 5.13 0.45 3.58 0.01 0.62 0.16 113.70 123.89 1spx s SER 191 Ca -0.06 -2.65 -0.23 0.00 1.31 0.00 0.00 55.95 54.32 1spx s SER 191 Cb -0.11 -1.82 -0.08 0.00 0.21 0.00 0.00 66.02 64.22 1spx s SER 191 CO 0.02 -0.40 1.10 -2.16 0.41 0.00 0.00 173.24 172.20 1spx s PRO 192 N 0.23 3.88 0.00 12.44 0.04 -1.26 -1.47 135.00 148.86 1spx s PRO 192 Ca 0.15 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1spx s PRO 192 Cb -0.21 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 31.96 1spx s PRO 192 CO -0.03 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1spx n GLY 193 N 0.25 1.11 3.71 0.56 0.00 -0.08 -2.45 105.19 108.29 1spx n GLY 193 Ca 0.07 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1spx n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1spx s LEU 194 N 0.00 4.39 -0.02 0.99 1.43 -1.26 -4.90 118.68 119.30 1spx s LEU 194 Ca 0.00 1.81 0.01 0.00 -1.03 0.00 0.00 54.13 54.92 1spx s LEU 194 Cb 0.00 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.66 1spx s LEU 194 CO 0.00 -0.31 -0.02 -0.69 0.23 0.00 0.00 176.35 175.56 1spx s VAL 195 N 0.88 0.28 0.00 -1.59 1.01 -1.26 -2.58 120.40 117.15 1spx s VAL 195 Ca 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1spx s VAL 195 Cb -0.24 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 35.82 1spx s VAL 195 CO 0.29 0.13 0.00 0.00 0.00 0.00 0.00 175.10 175.52 1spx n ALA 196 N 3.65 0.00 -4.36 5.51 0.00 -0.31 -4.89 120.51 120.11 1spx n ALA 196 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.87 1spx n ALA 196 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 1spx n ALA 196 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1spx n THR 197 N 0.00 -0.53 0.51 0.00 -2.24 -1.26 -3.92 114.28 106.84 1spx n THR 197 Ca 0.00 -0.27 0.13 0.00 -2.27 0.00 0.00 64.05 61.64 1spx n THR 197 Cb 0.00 -0.75 0.40 0.00 -2.10 0.00 0.00 70.33 67.88 1spx n THR 197 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1spx h GLY 198 N -1.32 0.00 0.00 3.38 0.00 -1.93 -3.42 103.07 99.78 1spx h GLY 198 Ca -0.62 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1spx h GLY 198 CO 0.77 0.00 0.00 0.33 0.00 0.00 0.00 176.54 177.64 1spx n PHE 213 N -2.42 -1.02 -0.12 5.60 7.35 -1.26 -2.30 117.46 123.30 1spx n PHE 213 Ca 0.05 0.18 0.05 0.00 -0.76 0.00 0.00 57.45 56.97 1spx n PHE 213 Cb 0.40 0.35 0.37 0.00 0.35 0.00 0.00 39.48 40.96 1spx n PHE 213 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 1spx h TYR 214 N 0.00 0.68 -0.19 -5.13 0.05 -2.05 0.36 116.97 110.70 1spx h TYR 214 Ca 0.00 0.02 -0.18 0.00 0.05 0.00 0.00 58.73 58.61 1spx h TYR 214 Cb 0.00 -0.23 0.01 0.00 1.01 0.00 0.00 36.73 37.52 1spx h TYR 214 CO 0.00 0.39 -0.60 0.66 -1.05 0.00 0.00 178.16 177.56 1spx h SER 215 N 0.70 0.86 -0.29 3.88 4.64 -2.05 -2.01 113.55 119.27 1spx h SER 215 Ca 0.25 -0.59 -0.12 0.00 -0.47 0.00 0.00 61.79 60.86 1spx h SER 215 Cb 0.13 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1spx h SER 215 CO -0.07 1.30 -0.26 0.74 -0.87 0.00 0.00 176.83 177.67 1spx h THR 216 N 0.46 1.27 -0.29 2.95 2.02 -1.79 -1.82 112.91 115.72 1spx h THR 216 Ca -0.02 -1.39 -0.10 0.00 0.77 0.00 0.00 66.41 65.66 1spx h THR 216 Cb 1.22 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 1spx h THR 216 CO 0.13 0.46 -0.25 0.24 0.37 0.00 0.00 175.52 176.47 1spx h MET 217 N 0.68 0.56 0.08 6.66 2.07 -0.30 -1.29 114.93 123.40 1spx h MET 217 Ca 0.09 -0.22 -0.00 0.00 -2.07 0.00 0.00 59.70 57.49 1spx h MET 217 Cb 0.79 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.49 1spx h MET 217 CO 0.07 0.77 -0.04 0.00 1.07 0.00 0.00 176.91 178.77 1spx h ALA 218 N 1.24 -0.11 -0.95 6.32 0.00 -1.11 -1.87 119.26 122.78 1spx h ALA 218 Ca 0.07 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1spx h ALA 218 Cb 0.70 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 1spx h ALA 218 CO 0.05 -0.43 0.62 1.15 0.00 0.00 0.00 179.25 180.65 1spx h THR 219 N -0.38 1.16 0.06 0.00 2.02 -1.24 -1.75 112.91 112.78 1spx h THR 219 Ca -0.01 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.77 1spx h THR 219 Cb 0.33 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1spx h THR 219 CO 0.02 0.22 -0.08 -0.03 0.37 0.00 0.00 175.52 176.02 1spx h MET 220 N 1.19 -0.16 -0.47 6.66 -1.53 -1.09 0.20 114.93 119.73 1spx h MET 220 Ca 0.38 0.01 0.12 0.00 -3.44 0.00 0.00 59.70 56.77 1spx h MET 220 Cb 0.02 0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.09 1spx h MET 220 CO -0.12 -0.11 0.33 0.87 0.14 0.00 0.00 176.91 178.02 1spx h LYS 221 N -0.17 0.09 0.23 0.39 1.79 -0.68 -0.07 116.57 118.14 1spx h LYS 221 Ca 0.01 -0.01 -0.33 0.00 -2.18 0.00 0.00 60.65 58.15 1spx h LYS 221 Cb 0.17 -0.02 0.03 0.00 -1.58 0.00 0.00 32.23 30.84 1spx h LYS 221 CO -0.04 0.06 -1.43 1.49 -1.08 0.00 0.00 179.45 178.46 1spx h GLU 222 N 0.09 0.52 0.00 3.15 4.81 -0.39 -3.36 114.58 119.40 1spx h GLU 222 Ca 0.22 -0.86 0.00 0.00 -0.13 0.00 0.00 59.36 58.59 1spx h GLU 222 Cb 0.77 0.32 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1spx h GLU 222 CO -0.02 1.41 -0.60 0.00 -0.73 0.00 0.00 179.01 179.07 1spx s VAL 224 N -3.29 1.76 0.34 0.00 1.01 -0.10 -4.57 120.40 115.56 1spx s VAL 224 Ca 0.03 -1.95 0.14 0.00 0.00 0.00 0.00 61.98 60.20 1spx s VAL 224 Cb 0.08 -2.29 0.33 0.00 0.00 0.00 0.00 36.38 34.51 1spx s VAL 224 CO 0.74 -0.59 1.68 -0.65 0.00 0.00 0.00 175.10 176.28 1spx h PRO 225 N 7.79 0.38 -0.20 2.72 0.11 -1.77 0.41 132.00 141.45 1spx h PRO 225 Ca -0.08 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.06 1spx h PRO 225 Cb 1.02 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1spx h PRO 225 CO 0.50 0.25 0.36 0.00 -0.21 0.00 0.00 178.00 178.89 1spx h ALA 226 N 1.80 1.72 0.00 -0.75 0.00 -1.53 -3.45 119.26 117.05 1spx h ALA 226 Ca 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.61 1spx h ALA 226 Cb 1.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1spx h ALA 226 CO -0.55 -0.46 0.00 0.41 0.00 0.00 0.00 179.25 178.65 1spx n GLY 227 N -1.35 1.09 2.94 0.00 0.00 0.14 -4.97 105.19 103.03 1spx n GLY 227 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 1spx n GLY 227 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1spx s VAL 228 N -3.61 0.12 0.37 1.61 0.11 -1.26 -4.79 120.40 112.95 1spx s VAL 228 Ca 0.00 -0.50 -0.26 0.00 -2.93 0.00 0.00 61.98 58.29 1spx s VAL 228 Cb 0.00 -0.19 -0.09 0.00 -1.53 0.00 0.00 36.38 34.57 1spx s VAL 228 CO 0.00 -0.24 1.15 -0.32 -3.33 0.00 0.00 175.10 172.36 1spx s MET 229 N -0.77 4.22 0.61 1.54 1.75 -1.26 -4.99 119.30 120.39 1spx s MET 229 Ca -0.08 1.83 -0.18 0.00 -1.25 0.00 0.00 55.69 56.01 1spx s MET 229 Cb -0.05 -2.80 -0.03 0.00 2.84 0.00 0.00 34.83 34.79 1spx s MET 229 CO -0.00 -0.18 1.17 0.20 -0.65 0.00 0.00 175.02 175.56 1spx s GLY 230 N -1.07 2.56 0.12 2.11 0.00 -1.06 -4.87 107.32 105.10 1spx s GLY 230 Ca 0.54 0.86 0.11 0.00 0.00 0.00 0.00 44.72 46.23 1spx s GLY 230 CO 0.39 1.24 -0.27 1.20 0.00 0.00 0.00 173.10 175.67 1spx s GLN 231 N -3.52 1.42 0.31 2.90 -1.52 -1.26 -1.17 119.66 116.83 1spx s GLN 231 Ca 0.74 -1.32 0.08 0.00 -1.95 0.00 0.00 55.36 52.91 1spx s GLN 231 Cb -0.27 -1.88 0.80 0.00 -0.22 0.00 0.00 33.01 31.45 1spx s GLN 231 CO 0.34 0.45 1.76 -1.35 -0.25 0.00 0.00 175.29 176.24 1spx h PRO 232 N 3.98 0.67 -0.47 2.91 0.11 -1.82 0.13 132.00 137.51 1spx h PRO 232 Ca -0.50 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.53 1spx h PRO 232 Cb 1.17 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1spx h PRO 232 CO 0.39 0.44 0.16 1.96 -0.21 0.00 0.00 178.00 180.74 1spx h GLN 233 N 0.69 0.69 -0.96 1.05 7.50 -1.92 -1.29 115.11 120.87 1spx h GLN 233 Ca 0.60 -0.11 -0.00 0.00 0.50 0.00 0.00 58.65 59.64 1spx h GLN 233 Cb 1.03 -0.12 -0.05 0.00 0.05 0.00 0.00 27.48 28.39 1spx h GLN 233 CO -0.41 0.59 0.59 -0.44 -1.50 0.00 0.00 178.83 177.67 1spx h ASP 234 N 0.68 1.13 -0.09 1.46 3.32 -1.14 -1.44 116.42 120.34 1spx h ASP 234 Ca 0.16 -0.06 -0.23 0.00 0.02 0.00 0.00 57.03 56.93 1spx h ASP 234 Cb 0.19 -0.29 0.01 0.00 0.22 0.00 0.00 39.33 39.46 1spx h ASP 234 CO -0.01 0.86 -0.82 0.40 -1.72 0.00 0.00 179.24 177.95 1spx h ILE 235 N 1.31 1.29 -0.86 0.35 1.08 -1.33 -3.22 117.51 116.13 1spx h ILE 235 Ca 0.35 -2.03 0.05 0.00 -0.39 0.00 0.00 64.86 62.84 1spx h ILE 235 Cb -0.09 2.05 -0.06 0.00 -3.07 0.00 0.00 36.82 35.65 1spx h ILE 235 CO -0.07 0.64 0.54 0.00 -0.69 0.00 0.00 178.15 178.57 1spx h ALA 236 N 0.57 1.17 -0.90 1.87 0.00 -0.79 -1.19 119.26 119.98 1spx h ALA 236 Ca -0.06 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1spx h ALA 236 Cb 1.44 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1spx h ALA 236 CO 0.16 0.32 0.58 0.93 0.00 0.00 0.00 179.25 181.25 1spx h GLU 237 N 1.01 1.11 -0.13 0.00 4.39 -1.30 -0.47 114.58 119.19 1spx h GLU 237 Ca 0.36 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.85 1spx h GLU 237 Cb 0.11 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1spx h GLU 237 CO -0.15 0.73 -0.54 0.28 -1.16 0.00 0.00 179.01 178.17 1spx h VAL 238 N 1.14 1.34 -0.36 3.13 2.07 -1.36 -0.94 116.25 121.27 1spx h VAL 238 Ca 0.36 -1.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.02 1spx h VAL 238 Cb -0.01 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1spx h VAL 238 CO -0.11 0.55 0.07 0.40 0.02 0.00 0.00 177.57 178.50 1spx h ILE 239 N 0.30 1.23 -0.68 4.57 2.04 -0.66 -1.90 117.51 122.42 1spx h ILE 239 Ca 0.01 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 1spx h ILE 239 Cb 1.05 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 1spx h ILE 239 CO 0.09 0.27 0.41 0.00 0.00 0.00 0.00 178.15 178.93 1spx h ALA 240 N 0.92 0.86 -0.41 1.87 0.00 -0.92 -0.76 119.26 120.81 1spx h ALA 240 Ca 0.11 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1spx h ALA 240 Cb 0.33 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1spx h ALA 240 CO 0.00 0.33 0.08 0.35 0.00 0.00 0.00 179.25 180.02 1spx h PHE 241 N 0.92 0.13 0.00 0.00 3.57 -0.90 -1.65 116.94 119.01 1spx h PHE 241 Ca 0.24 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1spx h PHE 241 Cb -0.03 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 1spx h PHE 241 CO -0.02 0.01 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.95 1spx h LEU 242 N 0.21 0.00 -0.05 0.59 3.38 -0.93 -2.98 115.31 115.53 1spx h LEU 242 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1spx h LEU 242 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1spx h LEU 242 CO -0.27 0.06 -0.45 0.00 0.09 0.00 0.00 178.44 177.88 1spx n ALA 243 N -2.12 3.43 -3.02 1.53 0.00 -0.33 -4.77 120.51 115.23 1spx n ALA 243 Ca 0.02 -0.34 -0.40 0.00 0.00 0.00 0.00 53.44 52.71 1spx n ALA 243 Cb 0.40 -1.14 -0.11 0.00 0.00 0.00 0.00 19.45 18.60 1spx n ALA 243 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1spx s ASP 244 N -2.94 5.64 0.50 0.00 2.15 -0.68 -4.88 116.67 116.46 1spx s ASP 244 Ca 0.13 -1.18 0.15 0.00 0.43 0.00 0.00 52.55 52.08 1spx s ASP 244 Cb 0.18 -1.99 1.20 0.00 -0.30 0.00 0.00 42.92 42.01 1spx s ASP 244 CO 0.67 -0.43 2.12 0.03 -0.17 0.00 0.00 175.17 177.40 1spx h ARG 245 N 8.40 0.04 0.00 4.34 3.08 -1.86 -1.01 114.38 127.36 1spx h ARG 245 Ca -0.24 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 1spx h ARG 245 Cb 1.09 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 1spx h ARG 245 CO 0.69 0.05 -0.03 0.87 -1.07 0.00 0.00 179.97 180.48 1spx h LYS 246 N 0.04 0.00 0.00 0.04 1.57 -1.93 -1.63 116.57 114.66 1spx h LYS 246 Ca 0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1spx h LYS 246 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1spx h LYS 246 CO 0.00 0.03 -1.64 0.25 -0.57 0.00 0.00 179.45 177.52 1spx n THR 247 N -4.20 0.05 -2.12 -0.16 -2.24 -0.50 -4.81 114.28 100.31 1spx n THR 247 Ca -0.03 -0.33 0.01 0.00 -2.27 0.00 0.00 64.05 61.43 1spx n THR 247 Cb 0.11 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1spx n THR 247 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1spx n SER 248 N -2.01 0.21 -0.34 3.42 3.41 -0.53 -4.95 113.62 112.84 1spx n SER 248 Ca -0.04 -1.91 0.20 0.00 -0.26 0.00 0.00 58.87 56.86 1spx n SER 248 Cb 0.39 -0.19 0.43 0.00 -0.26 0.00 0.00 64.21 64.58 1spx n SER 248 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1spx h SER 249 N 0.24 0.60 -0.01 4.04 4.64 -1.48 0.69 113.55 122.29 1spx h SER 249 Ca -0.07 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1spx h SER 249 Cb 1.49 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 1spx h SER 249 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1spx n TYR 250 N -4.95 0.01 -3.13 4.77 9.36 -1.26 -4.71 117.16 117.26 1spx n TYR 250 Ca 0.29 -0.00 -0.40 0.00 3.32 0.00 0.00 57.90 61.10 1spx n TYR 250 Cb 0.85 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.50 1spx n TYR 250 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1spx s ILE 251 N -1.99 5.00 -0.05 2.97 1.01 0.23 -5.04 121.20 123.34 1spx s ILE 251 Ca 0.43 1.12 -0.02 0.00 0.00 0.00 0.00 60.65 62.19 1spx s ILE 251 Cb 0.20 -3.93 0.03 0.00 0.01 0.00 0.00 42.46 38.78 1spx s ILE 251 CO 0.34 0.06 0.08 -0.63 0.00 0.00 0.00 174.94 174.79 1spx s ILE 252 N 2.29 -0.10 -0.93 2.92 1.01 -1.26 -4.85 121.20 120.27 1spx s ILE 252 Ca 0.26 0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1spx s ILE 252 Cb -0.16 -0.17 0.00 0.00 0.01 0.00 0.00 42.46 42.15 1spx s ILE 252 CO 0.09 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.76 1spx n GLY 253 N 4.65 1.01 3.82 6.18 0.00 0.14 -5.00 105.19 115.99 1spx n GLY 253 Ca -0.18 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 1spx n GLY 253 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1spx s HIS 254 N -2.17 3.59 -0.64 1.61 5.04 -1.26 -4.45 115.29 117.01 1spx s HIS 254 Ca 0.00 1.41 -0.15 0.00 -1.54 0.00 0.00 55.06 54.78 1spx s HIS 254 Cb 0.00 -2.64 0.16 0.00 0.04 0.00 0.00 32.58 30.14 1spx s HIS 254 CO 0.00 0.26 0.59 -0.65 -2.34 0.00 0.00 174.74 172.60 1spx s GLN 255 N -2.22 3.19 -0.45 2.88 1.11 -1.26 -1.38 119.66 121.53 1spx s GLN 255 Ca 0.47 -2.00 -0.26 0.00 0.01 0.00 0.00 55.36 53.58 1spx s GLN 255 Cb -0.15 -4.33 0.03 0.00 -1.01 0.00 0.00 33.01 27.55 1spx s GLN 255 CO 0.20 -1.31 0.97 -1.17 0.01 0.00 0.00 175.29 173.99 1spx s LEU 256 N 1.05 3.93 -0.05 2.90 0.20 0.16 -4.86 118.68 122.00 1spx s LEU 256 Ca 0.09 0.28 -0.27 0.00 0.69 0.00 0.00 54.13 54.92 1spx s LEU 256 Cb -0.23 -3.28 -0.03 0.00 -0.43 0.00 0.00 46.19 42.22 1spx s LEU 256 CO -0.02 -1.05 0.85 -0.69 -0.29 0.00 0.00 176.35 175.15 1spx s VAL 257 N 3.84 4.94 -0.52 1.68 1.01 -1.26 -0.27 120.40 129.82 1spx s VAL 257 Ca 0.39 1.75 0.04 0.00 0.00 0.00 0.00 61.98 64.16 1spx s VAL 257 Cb -0.10 -4.18 0.16 0.00 0.00 0.00 0.00 36.38 32.26 1spx s VAL 257 CO 0.26 0.17 0.36 -0.69 0.00 0.00 0.00 175.10 175.20 1spx s VAL 258 N 1.12 1.50 -0.04 2.92 1.01 -0.54 -4.90 120.40 121.46 1spx s VAL 258 Ca 0.44 -3.16 0.08 0.00 0.00 0.00 0.00 61.98 59.33 1spx s VAL 258 Cb -0.19 -2.01 0.13 0.00 0.00 0.00 0.00 36.38 34.31 1spx s VAL 258 CO 0.21 -1.06 1.06 -0.90 0.00 0.00 0.00 175.10 174.42 1spx n ASP 259 N 2.76 0.75 -0.53 3.32 5.75 -1.26 -0.91 116.55 126.44 1spx n ASP 259 Ca 0.20 -2.35 -0.07 0.00 -0.01 0.00 0.00 54.79 52.57 1spx n ASP 259 Cb 0.40 -0.28 -0.03 0.00 -1.03 0.00 0.00 41.12 40.18 1spx n ASP 259 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1spx n GLY 260 N -0.36 0.65 1.10 6.12 0.00 -1.26 -1.65 105.19 109.80 1spx n GLY 260 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1spx n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1spx n GLY 261 N 0.54 0.75 0.25 -0.02 0.00 -1.26 -1.28 105.19 104.17 1spx n GLY 261 Ca -0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.99 1spx n GLY 261 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1spx h SER 262 N 0.00 0.03 0.48 1.61 0.02 -1.56 -1.63 113.55 112.50 1spx h SER 262 Ca 0.00 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1spx h SER 262 Cb 0.00 0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1spx h SER 262 CO 0.00 -0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.15 1spx n SER 263 N -5.13 0.66 -0.04 3.07 3.41 -1.26 -2.14 113.62 112.19 1spx n SER 263 Ca 0.12 0.71 0.13 0.00 -0.26 0.00 0.00 58.87 59.57 1spx n SER 263 Cb 0.39 -0.83 0.47 0.00 -0.26 0.00 0.00 64.21 63.98 1spx n SER 263 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1spx n LEU 264 N -2.28 0.35 -0.39 1.04 4.77 -0.61 -5.09 117.00 114.78 1spx n LEU 264 Ca 0.01 0.16 0.14 0.00 -0.03 0.00 0.00 56.01 56.29 1spx n LEU 264 Cb 0.16 -0.31 0.60 0.00 -2.33 0.00 0.00 43.42 41.54 1spx n LEU 264 CO 0.16 0.08 0.91 -0.38 -1.33 0.00 0.00 177.39 176.84