#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wri s ARG 3 N 0.00 4.25 0.00 0.00 0.52 -1.26 -4.41 118.95 118.05 2wri s ARG 3 Ca 0.00 2.02 0.00 0.00 -0.52 0.00 0.00 55.73 57.23 2wri s ARG 3 Cb 0.00 -3.67 0.00 0.00 0.52 0.00 0.00 34.95 31.80 2wri s ARG 3 CO 0.00 -0.66 0.00 -0.89 0.02 0.00 0.00 175.30 173.77 2wri n ILE 4 N 4.90 0.00 0.00 1.52 5.41 -0.14 -4.98 119.36 126.06 2wri n ILE 4 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.89 2wri n ILE 4 Cb 0.43 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.36 2wri n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wri n ALA 5 N -3.00 -0.01 -1.98 -1.39 0.00 -1.26 -4.73 120.51 108.14 2wri n ALA 5 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2wri n ALA 5 Cb 0.00 0.16 0.08 0.00 0.00 0.00 0.00 19.45 19.69 2wri n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wri n GLY 6 N -0.81 -0.27 0.40 0.00 0.00 -1.26 -4.82 105.19 98.42 2wri n GLY 6 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2wri n GLY 6 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wri n VAL 7 N -2.55 0.00 -3.40 1.61 0.31 -1.26 -4.70 118.33 108.34 2wri n VAL 7 Ca 0.09 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.04 2wri n VAL 7 Cb 0.31 -0.10 -0.06 0.00 -0.91 0.00 0.00 33.84 33.08 2wri n VAL 7 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2wri s GLU 8 N -1.20 4.04 -0.08 5.55 2.02 -1.26 -4.94 118.70 122.83 2wri s GLU 8 Ca 0.00 0.56 -0.03 0.00 0.02 0.00 0.00 54.97 55.52 2wri s GLU 8 Cb 0.00 -3.22 0.04 0.00 0.10 0.00 0.00 34.13 31.05 2wri s GLU 8 CO 0.00 0.66 0.08 0.42 0.02 0.00 0.00 175.26 176.44 2wri s ILE 9 N -1.11 -0.11 0.01 -1.63 1.09 -1.26 -0.97 121.20 117.21 2wri s ILE 9 Ca 0.27 0.24 -0.07 0.00 -1.10 0.00 0.00 60.65 59.99 2wri s ILE 9 Cb -0.18 -0.29 -0.04 0.00 -1.06 0.00 0.00 42.46 40.89 2wri s ILE 9 CO 0.16 0.04 0.98 1.55 -0.10 0.00 0.00 174.94 177.57 2wri h PRO 10 N 8.43 -0.26 0.00 2.79 0.13 -1.84 -3.49 132.00 137.76 2wri h PRO 10 Ca -0.13 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2wri h PRO 10 Cb 1.13 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2wri h PRO 10 CO 0.19 -0.17 0.00 -2.13 -0.23 0.00 0.00 178.00 175.66 2wri n ARG 11 N -2.80 0.00 0.00 0.86 0.63 -1.26 -4.88 116.66 109.21 2wri n ARG 11 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 2wri n ARG 11 Cb 0.11 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.02 2wri n ARG 11 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2wri n ASN 12 N -0.80 0.00 -3.95 6.15 5.15 -1.26 -4.60 115.26 115.96 2wri n ASN 12 Ca 0.00 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.87 2wri n ASN 12 Cb 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 2wri n ASN 12 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2wri s LYS 13 N 0.00 1.50 0.61 1.20 1.02 -1.26 -4.94 119.74 117.87 2wri s LYS 13 Ca 0.00 -1.43 -0.19 0.00 0.02 0.00 0.00 55.97 54.36 2wri s LYS 13 Cb 0.00 0.41 -0.03 0.00 -0.52 0.00 0.00 37.83 37.69 2wri s LYS 13 CO 0.00 -0.59 1.26 0.54 -0.92 0.00 0.00 175.35 175.64 2wri n ARG 14 N -0.38 1.26 0.15 1.68 1.74 -1.26 -1.99 116.66 117.87 2wri n ARG 14 Ca -0.00 0.48 0.12 0.00 -0.77 0.00 0.00 57.85 57.68 2wri n ARG 14 Cb 0.63 -2.49 0.08 0.00 -1.02 0.00 0.00 32.46 29.66 2wri n ARG 14 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 2wri h VAL 15 N 0.80 0.00 0.00 1.55 -1.51 -1.62 -1.98 116.25 113.50 2wri h VAL 15 Ca -0.50 -0.99 0.00 0.00 -1.23 0.00 0.00 66.70 63.97 2wri h VAL 15 Cb 1.33 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 32.21 2wri h VAL 15 CO 0.54 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 175.98 2wri n ASP 16 N -2.86 0.31 -0.09 4.19 3.85 -1.26 -2.71 116.55 117.98 2wri n ASP 16 Ca 0.02 0.58 -0.18 0.00 -0.71 0.00 0.00 54.79 54.50 2wri n ASP 16 Cb 0.54 -0.64 -0.07 0.00 -1.35 0.00 0.00 41.12 39.60 2wri n ASP 16 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 2wri n VAL 17 N -1.84 1.01 -0.35 2.12 0.31 -1.23 -4.57 118.33 113.78 2wri n VAL 17 Ca 0.03 -0.29 -0.07 0.00 -0.01 0.00 0.00 64.34 64.00 2wri n VAL 17 Cb 0.19 -1.60 -0.05 0.00 -0.91 0.00 0.00 33.84 31.48 2wri n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wri n ALA 18 N -3.63 -0.41 -0.23 3.52 0.00 -0.74 -0.68 120.51 118.34 2wri n ALA 18 Ca -0.35 0.76 0.28 0.00 0.00 0.00 0.00 53.44 54.14 2wri n ALA 18 Cb 0.77 -0.20 0.69 0.00 0.00 0.00 0.00 19.45 20.71 2wri n ALA 18 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wri h LEU 19 N 0.00 0.09 -1.20 0.00 -0.00 -1.82 -1.29 115.31 111.09 2wri h LEU 19 Ca 0.19 0.01 0.25 0.00 -0.00 0.00 0.00 57.88 58.33 2wri h LEU 19 Cb 0.40 -0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 40.95 2wri h LEU 19 CO -0.82 0.03 0.64 0.74 -0.00 0.00 0.00 178.44 179.03 2wri h THR 20 N 0.08 0.55 0.00 0.22 2.02 -1.04 0.84 112.91 115.59 2wri h THR 20 Ca 0.48 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.48 2wri h THR 20 Cb 1.74 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2wri h THR 20 CO -0.05 0.09 0.00 -1.22 0.37 0.00 0.00 175.52 174.71 2wri n TYR 21 N -4.73 0.00 -3.84 3.16 0.53 -0.49 -4.42 117.16 107.37 2wri n TYR 21 Ca 0.25 0.00 -0.36 0.00 -1.02 0.00 0.00 57.90 56.77 2wri n TYR 21 Cb 0.79 -0.00 -0.13 0.00 -1.03 0.00 0.00 39.34 38.97 2wri n TYR 21 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 2wri s ILE 22 N -1.87 3.53 -0.27 -0.72 1.09 0.29 -4.93 121.20 118.32 2wri s ILE 22 Ca 0.00 -0.83 -0.33 0.00 -1.10 0.00 0.00 60.65 58.39 2wri s ILE 22 Cb 0.00 -2.81 -0.09 0.00 -1.06 0.00 0.00 42.46 38.49 2wri s ILE 22 CO 0.00 0.13 2.15 0.00 -0.10 0.00 0.00 174.94 177.12 2wri n TYR 23 N 4.79 1.82 0.00 3.97 4.19 -1.26 0.98 117.16 131.64 2wri n TYR 23 Ca -0.15 0.11 0.00 0.00 3.31 0.00 0.00 57.90 61.17 2wri n TYR 23 Cb 0.48 -2.61 0.00 0.00 0.49 0.00 0.00 39.34 37.69 2wri n TYR 23 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2wri n GLY 24 N 5.98 1.97 3.38 2.98 0.00 -1.26 -1.95 105.19 116.29 2wri n GLY 24 Ca 0.35 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 2wri n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wri s ILE 25 N -1.73 3.57 0.36 -0.61 1.01 0.27 -4.99 121.20 119.09 2wri s ILE 25 Ca 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.23 2wri s ILE 25 Cb 0.00 -2.61 0.02 0.00 0.01 0.00 0.00 42.46 39.89 2wri s ILE 25 CO 0.00 0.44 0.20 0.61 0.00 0.00 0.00 174.94 176.19 2wri n GLY 26 N 4.39 3.09 0.06 6.18 0.00 -1.26 -4.05 105.19 113.60 2wri n GLY 26 Ca -0.18 -2.27 0.06 0.00 0.00 0.00 0.00 46.02 43.63 2wri n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wri n LYS 27 N -1.23 0.07 -0.00 1.61 3.00 -1.26 -1.35 118.16 118.99 2wri n LYS 27 Ca -0.05 0.47 -0.00 0.00 -0.00 0.00 0.00 58.31 58.73 2wri n LYS 27 Cb 0.43 -1.68 -0.00 0.00 0.00 0.00 0.00 35.03 33.78 2wri n LYS 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wri h ALA 28 N 2.15 0.00 -1.01 3.14 0.00 -1.94 -3.29 119.26 118.31 2wri h ALA 28 Ca 0.00 -0.17 0.29 0.00 0.00 0.00 0.00 54.91 55.02 2wri h ALA 28 Cb 0.11 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2wri h ALA 28 CO 0.00 0.02 0.71 0.00 0.00 0.00 0.00 179.25 179.98 2wri h ARG 29 N -0.05 0.05 0.61 0.00 3.08 -1.93 -1.49 114.38 114.65 2wri h ARG 29 Ca 0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2wri h ARG 29 Cb 0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2wri h ARG 29 CO 0.00 0.04 -0.49 0.00 -1.07 0.00 0.00 179.97 178.44 2wri h ALA 30 N 1.51 -1.20 0.00 0.04 0.00 -1.38 0.47 119.26 118.71 2wri h ALA 30 Ca 0.49 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 2wri h ALA 30 Cb 1.85 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 20.31 2wri h ALA 30 CO -0.04 -1.20 -0.17 0.87 0.00 0.00 0.00 179.25 178.71 2wri h LYS 31 N -1.07 0.00 0.07 0.00 1.57 -1.37 -2.71 116.57 113.07 2wri h LYS 31 Ca -0.08 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.42 2wri h LYS 31 Cb 0.89 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.23 2wri h LYS 31 CO 0.00 0.17 -1.15 1.49 -0.57 0.00 0.00 179.45 179.39 2wri h GLU 32 N 0.00 0.58 0.00 3.15 4.81 -1.01 -3.09 114.58 119.02 2wri h GLU 32 Ca -0.00 -0.72 0.00 0.00 -0.13 0.00 0.00 59.36 58.51 2wri h GLU 32 Cb 0.49 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.09 2wri h GLU 32 CO 0.02 1.31 0.00 0.00 -0.73 0.00 0.00 179.01 179.61 2wri h ALA 33 N 0.42 1.00 0.08 2.92 0.00 0.25 -2.44 119.26 121.49 2wri h ALA 33 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2wri h ALA 33 Cb 1.82 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.62 2wri h ALA 33 CO 0.22 0.00 -0.49 -0.07 0.00 0.00 0.00 179.25 178.91 2wri h LEU 34 N 0.00 0.29 -0.65 0.00 3.38 -1.43 -1.86 115.31 115.05 2wri h LEU 34 Ca 0.00 -0.96 -0.01 0.00 0.09 0.00 0.00 57.88 57.00 2wri h LEU 34 Cb 0.31 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2wri h LEU 34 CO 0.00 1.23 0.37 1.05 0.09 0.00 0.00 178.44 181.17 2wri h GLU 35 N -0.60 0.89 0.00 1.13 4.11 -1.46 0.86 114.58 119.52 2wri h GLU 35 Ca -0.08 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.25 2wri h GLU 35 Cb 1.37 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2wri h GLU 35 CO 0.09 0.66 0.00 1.63 0.07 0.00 0.00 179.01 181.46 2wri n LYS 36 N -4.55 0.00 0.00 1.06 4.76 -0.93 -1.46 118.16 117.04 2wri n LYS 36 Ca 0.05 0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.85 2wri n LYS 36 Cb 0.08 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 2wri n LYS 36 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2wri n THR 37 N -1.34 1.24 -3.52 -0.18 -2.24 -0.70 -4.83 114.28 102.71 2wri n THR 37 Ca 0.00 0.32 -0.22 0.00 -2.27 0.00 0.00 64.05 61.88 2wri n THR 37 Cb 0.00 -1.32 0.03 0.00 -2.10 0.00 0.00 70.33 66.94 2wri n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wri n GLY 38 N -1.30 -1.13 2.95 3.38 0.00 0.29 -5.00 105.19 104.38 2wri n GLY 38 Ca 0.00 0.50 -0.23 0.00 0.00 0.00 0.00 46.02 46.29 2wri n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wri s ILE 39 N -3.26 0.87 -0.00 -0.61 1.01 -0.46 -5.02 121.20 113.72 2wri s ILE 39 Ca 0.28 -0.30 -0.33 0.00 0.00 0.00 0.00 60.65 60.30 2wri s ILE 39 Cb -0.09 -0.84 -0.11 0.00 0.01 0.00 0.00 42.46 41.43 2wri s ILE 39 CO 0.83 0.30 1.88 -3.20 0.00 0.00 0.00 174.94 174.76 2wri n ASN 40 N 4.08 3.71 0.06 3.58 5.15 -1.26 -4.75 115.26 125.83 2wri n ASN 40 Ca -0.22 0.96 -0.12 0.00 -0.60 0.00 0.00 54.58 54.61 2wri n ASN 40 Cb 0.51 -1.44 -0.06 0.00 -0.53 0.00 0.00 39.78 38.26 2wri n ASN 40 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2wri h PRO 41 N 9.29 -0.14 -0.99 1.20 0.11 -1.99 -3.24 132.00 136.25 2wri h PRO 41 Ca -0.48 0.01 0.19 0.00 0.11 0.00 0.00 66.00 65.82 2wri h PRO 41 Cb 1.25 0.03 -0.18 0.00 0.11 0.00 0.00 31.00 32.21 2wri h PRO 41 CO 0.94 -0.09 -0.27 0.00 -0.21 0.00 0.00 178.00 178.37 2wri n ALA 42 N -2.26 0.17 -1.66 -0.75 0.00 -1.26 -3.44 120.51 111.31 2wri n ALA 42 Ca -0.06 1.07 -0.48 0.00 0.00 0.00 0.00 53.44 53.97 2wri n ALA 42 Cb 0.12 -0.61 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 2wri n ALA 42 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wri n THR 43 N -5.58 0.12 -2.16 0.00 -2.24 -1.23 -4.63 114.28 98.56 2wri n THR 43 Ca 0.15 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.57 2wri n THR 43 Cb 0.48 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 2wri n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wri s ARG 44 N 1.51 3.34 0.50 -0.78 1.81 -1.26 -3.62 118.95 120.45 2wri s ARG 44 Ca 0.83 1.37 0.20 0.00 -1.72 0.00 0.00 55.73 56.41 2wri s ARG 44 Cb -0.73 -2.03 1.26 0.00 -0.45 0.00 0.00 34.95 33.00 2wri s ARG 44 CO 0.42 -0.81 2.03 0.28 -0.68 0.00 0.00 175.30 176.54 2wri h VAL 45 N 0.81 0.84 0.00 3.52 2.07 -1.65 0.42 116.25 122.26 2wri h VAL 45 Ca -0.48 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2wri h VAL 45 Cb 1.24 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2wri h VAL 45 CO 0.57 0.02 0.00 1.17 0.02 0.00 0.00 177.57 179.35 2wri n LYS 46 N -4.44 0.01 -3.49 1.57 0.00 -1.26 -3.66 118.16 106.89 2wri n LYS 46 Ca 0.07 0.51 -0.29 0.00 0.00 0.00 0.00 58.31 58.60 2wri n LYS 46 Cb 0.42 -1.53 -0.12 0.00 0.00 0.00 0.00 35.03 33.80 2wri n LYS 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2wri s ASP 47 N -3.07 2.87 -0.10 3.14 1.11 0.15 -5.06 116.67 115.71 2wri s ASP 47 Ca -0.00 -2.36 -0.05 0.00 0.18 0.00 0.00 52.55 50.32 2wri s ASP 47 Cb 0.00 -0.49 0.05 0.00 1.07 0.00 0.00 42.92 43.56 2wri s ASP 47 CO 0.01 -0.29 0.23 -0.76 1.18 0.00 0.00 175.17 175.55 2wri s LEU 48 N 0.84 0.22 0.25 1.23 1.43 -1.24 -4.50 118.68 116.91 2wri s LEU 48 Ca 0.20 0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 53.50 2wri s LEU 48 Cb -0.20 0.65 -0.15 0.00 0.03 0.00 0.00 46.19 46.52 2wri s LEU 48 CO -0.02 -0.19 1.07 0.41 0.23 0.00 0.00 176.35 177.85 2wri n THR 49 N 4.60 1.58 0.10 5.49 -1.04 -1.26 -4.68 114.28 119.07 2wri n THR 49 Ca -0.19 -0.39 0.07 0.00 -2.04 0.00 0.00 64.05 61.49 2wri n THR 49 Cb 0.52 -0.95 0.35 0.00 -1.82 0.00 0.00 70.33 68.43 2wri n THR 49 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2wri n GLU 50 N 1.14 0.08 -0.06 -2.82 -0.58 -1.26 -0.76 120.64 116.39 2wri n GLU 50 Ca 0.12 0.57 -0.03 0.00 -0.42 0.00 0.00 57.16 57.40 2wri n GLU 50 Cb 0.29 -1.82 -0.01 0.00 -0.57 0.00 0.00 31.44 29.33 2wri n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wri h ALA 51 N 1.86 0.00 -0.60 0.62 0.00 -2.00 -3.31 119.26 115.83 2wri h ALA 51 Ca 0.00 -0.30 0.12 0.00 0.00 0.00 0.00 54.91 54.73 2wri h ALA 51 Cb 0.09 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 18.07 2wri h ALA 51 CO 0.00 0.29 -0.08 0.93 0.00 0.00 0.00 179.25 180.39 2wri h GLU 52 N -0.96 0.05 -0.27 0.00 5.08 -1.56 0.92 114.58 117.84 2wri h GLU 52 Ca 0.00 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2wri h GLU 52 Cb 0.29 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 2wri h GLU 52 CO 0.00 0.03 -0.30 0.28 -1.00 0.00 0.00 179.01 178.02 2wri h VAL 53 N 0.05 0.00 0.63 3.13 2.07 -1.13 0.96 116.25 121.96 2wri h VAL 53 Ca 0.30 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.79 2wri h VAL 53 Cb 0.47 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.25 2wri h VAL 53 CO -0.57 0.00 -0.30 0.58 0.02 0.00 0.00 177.57 177.30 2wri h VAL 54 N -0.18 0.00 -1.37 2.57 2.07 -1.46 -1.69 116.25 116.19 2wri h VAL 54 Ca 0.05 -0.03 0.40 0.00 0.82 0.00 0.00 66.70 67.93 2wri h VAL 54 Cb 0.30 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.01 2wri h VAL 54 CO -0.35 0.00 1.05 -1.14 0.02 0.00 0.00 177.57 177.16 2wri n ARG 55 N -4.38 0.00 -0.04 1.57 0.63 0.31 0.76 116.66 115.52 2wri n ARG 55 Ca -0.11 0.81 -0.00 0.00 -0.92 0.00 0.00 57.85 57.63 2wri n ARG 55 Cb 0.33 -1.90 -0.00 0.00 0.45 0.00 0.00 32.46 31.35 2wri n ARG 55 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2wri h LEU 56 N 0.00 0.00 -1.46 6.15 7.12 0.16 -3.32 115.31 123.96 2wri h LEU 56 Ca 0.65 0.00 0.17 0.00 0.13 0.00 0.00 57.88 58.83 2wri h LEU 56 Cb 2.75 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 42.82 2wri h LEU 56 CO -0.01 0.37 0.56 0.08 -0.13 0.00 0.00 178.44 179.32 2wri h ARG 57 N -0.70 0.48 -0.39 1.25 0.11 0.69 1.12 114.38 116.94 2wri h ARG 57 Ca 0.00 -0.03 0.11 0.00 0.10 0.00 0.00 59.98 60.16 2wri h ARG 57 Cb 0.05 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.00 2wri h ARG 57 CO 0.00 0.32 0.47 0.93 0.10 0.00 0.00 179.97 181.79 2wri h GLU 58 N 0.49 0.00 0.00 0.08 4.39 0.21 0.68 114.58 120.44 2wri h GLU 58 Ca 0.43 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 60.04 2wri h GLU 58 Cb 0.93 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 2wri h GLU 58 CO -0.17 0.00 -0.95 0.98 -1.16 0.00 0.00 179.01 177.72 2wri n TYR 59 N -3.59 0.68 -0.03 4.33 9.36 0.38 -3.71 117.16 124.58 2wri n TYR 59 Ca 0.07 0.30 -0.03 0.00 3.32 0.00 0.00 57.90 61.56 2wri n TYR 59 Cb 0.63 -0.81 -0.02 0.00 -0.63 0.00 0.00 39.34 38.52 2wri n TYR 59 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2wri h VAL 60 N -1.00 0.00 0.14 2.97 2.07 -0.31 -2.12 116.25 118.01 2wri h VAL 60 Ca -0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2wri h VAL 60 Cb 0.87 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2wri h VAL 60 CO -0.08 0.00 -0.14 -0.33 0.02 0.00 0.00 177.57 177.04 2wri h GLU 61 N -0.07 -0.30 0.00 1.57 5.08 -1.16 -2.72 114.58 116.99 2wri h GLU 61 Ca 0.02 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2wri h GLU 61 Cb 0.11 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2wri h GLU 61 CO -0.12 -0.20 0.00 0.09 -1.00 0.00 0.00 179.01 177.78 2wri n ASN 62 N -5.26 0.00 0.00 1.42 4.13 -1.16 -4.52 115.26 109.86 2wri n ASN 62 Ca -0.07 -0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.17 2wri n ASN 62 Cb 0.18 -0.13 0.00 0.00 -1.54 0.00 0.00 39.78 38.29 2wri n ASN 62 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 2wri n THR 63 N -1.13 0.00 -1.81 3.41 -1.04 -0.81 -5.03 114.28 107.87 2wri n THR 63 Ca 0.04 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.66 2wri n THR 63 Cb 0.04 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.58 2wri n THR 63 CO 0.00 0.00 0.00 -1.66 -0.64 0.00 0.00 175.07 172.77 2wri s TRP 64 N 3.30 2.37 0.42 -1.42 -2.14 -1.26 -5.00 118.94 115.22 2wri s TRP 64 Ca 0.00 1.34 -0.14 0.00 2.66 0.00 0.00 56.10 59.97 2wri s TRP 64 Cb 0.00 -3.82 -0.08 0.00 -3.10 0.00 0.00 33.47 26.47 2wri s TRP 64 CO 0.00 -2.85 0.83 -1.59 -2.66 0.00 0.00 176.95 170.68 2wri s LYS 65 N -2.74 3.90 0.00 3.25 -2.85 -1.26 -4.76 119.74 115.28 2wri s LYS 65 Ca 0.68 0.68 0.00 0.00 -1.00 0.00 0.00 55.97 56.32 2wri s LYS 65 Cb -0.41 -2.32 0.00 0.00 -2.06 0.00 0.00 37.83 33.04 2wri s LYS 65 CO 0.50 -0.06 0.00 1.28 0.10 0.00 0.00 175.35 177.17 2wri n LEU 66 N -1.16 0.00 -1.61 2.77 4.32 -1.24 -4.92 117.00 115.16 2wri n LEU 66 Ca 0.04 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.88 2wri n LEU 66 Cb 0.54 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.35 2wri n LEU 66 CO 0.45 0.00 -0.35 -1.84 -1.22 0.00 0.00 177.39 174.43 2wri n GLU 67 N 0.00 0.00 0.00 3.23 0.28 -0.82 -2.55 120.64 120.78 2wri n GLU 67 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2wri n GLU 67 Cb 0.00 -0.39 0.00 0.00 1.43 0.00 0.00 31.44 32.48 2wri n GLU 67 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wri n GLY 68 N 1.12 0.99 2.78 -1.84 0.00 -1.26 -4.20 105.19 102.78 2wri n GLY 68 Ca 0.02 0.46 -0.37 0.00 0.00 0.00 0.00 46.02 46.12 2wri n GLY 68 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wri n GLU 69 N 0.00 2.29 0.00 1.61 4.07 -1.12 -0.01 120.64 127.49 2wri n GLU 69 Ca 0.00 -2.00 0.00 0.00 -0.06 0.00 0.00 57.16 55.10 2wri n GLU 69 Cb 0.00 -2.89 0.00 0.00 -0.06 0.00 0.00 31.44 28.49 2wri n GLU 69 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2wri n LEU 70 N 5.82 0.00 -0.35 4.31 0.00 -1.06 -3.73 117.00 122.00 2wri n LEU 70 Ca 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.54 2wri n LEU 70 Cb 0.31 0.00 0.04 0.00 0.00 0.00 0.00 43.42 43.78 2wri n LEU 70 CO 0.90 0.00 0.54 -1.14 0.00 0.00 0.00 177.39 177.69 2wri n ARG 71 N 0.00 -0.21 0.06 1.96 3.00 -0.89 0.91 116.66 121.50 2wri n ARG 71 Ca 0.00 1.41 -0.13 0.00 -0.00 0.00 0.00 57.85 59.13 2wri n ARG 71 Cb 0.00 -2.09 -0.09 0.00 0.00 0.00 0.00 32.46 30.29 2wri n ARG 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wri h ALA 72 N 1.30 -0.16 -0.92 5.13 0.00 -0.79 -3.04 119.26 120.77 2wri h ALA 72 Ca 0.33 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.22 2wri h ALA 72 Cb 0.55 0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.25 2wri h ALA 72 CO -0.91 -0.42 -0.30 -1.91 0.00 0.00 0.00 179.25 175.71 2wri n GLU 73 N -5.01 -0.15 -0.24 0.00 2.13 0.26 0.16 120.64 117.78 2wri n GLU 73 Ca -0.09 1.42 -0.10 0.00 0.66 0.00 0.00 57.16 59.06 2wri n GLU 73 Cb 0.22 -2.11 -0.06 0.00 0.27 0.00 0.00 31.44 29.75 2wri n GLU 73 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2wri h VAL 74 N 0.00 0.04 -0.23 6.31 2.07 0.24 0.39 116.25 125.07 2wri h VAL 74 Ca 0.37 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.95 2wri h VAL 74 Cb 0.60 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 2wri h VAL 74 CO -0.93 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 176.51 2wri h ALA 75 N 0.47 0.01 -0.95 1.67 0.00 0.15 0.56 119.26 121.17 2wri h ALA 75 Ca 0.16 0.09 0.28 0.00 0.00 0.00 0.00 54.91 55.43 2wri h ALA 75 Cb 0.55 0.35 -0.14 0.00 0.00 0.00 0.00 17.79 18.54 2wri h ALA 75 CO -0.73 -0.57 0.43 0.00 0.00 0.00 0.00 179.25 178.37 2wri h ALA 76 N 1.01 1.64 0.45 0.00 0.00 0.25 0.44 119.26 123.05 2wri h ALA 76 Ca 0.13 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2wri h ALA 76 Cb 0.34 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2wri h ALA 76 CO -0.32 -0.49 -0.27 -0.91 0.00 0.00 0.00 179.25 177.26 2wri h ASN 77 N 0.30 -0.67 -1.29 0.00 2.35 0.16 -1.75 115.58 114.68 2wri h ASN 77 Ca 0.64 0.04 0.44 0.00 -0.55 0.00 0.00 56.30 56.87 2wri h ASN 77 Cb 1.38 0.19 -0.14 0.00 0.05 0.00 0.00 38.32 39.81 2wri h ASN 77 CO -0.61 -0.42 0.82 0.40 -1.65 0.00 0.00 177.43 175.97 2wri h ILE 78 N -0.67 0.10 0.00 2.81 2.04 0.71 2.92 117.51 125.42 2wri h ILE 78 Ca -0.06 -0.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 2wri h ILE 78 Cb 0.54 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 2wri h ILE 78 CO 0.07 0.01 -0.32 0.11 0.00 0.00 0.00 178.15 178.02 2wri h LYS 79 N 0.07 0.00 -0.08 2.37 1.57 0.43 -0.37 116.57 120.56 2wri h LYS 79 Ca 0.83 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.54 2wri h LYS 79 Cb 2.56 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.86 2wri h LYS 79 CO -0.46 0.32 -0.28 -0.09 -0.57 0.00 0.00 179.45 178.37 2wri h ARG 80 N 0.00 0.15 0.00 3.15 2.43 0.59 0.20 114.38 120.90 2wri h ARG 80 Ca -0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2wri h ARG 80 Cb 0.63 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2wri h ARG 80 CO 0.04 0.42 0.00 1.28 -1.51 0.00 0.00 179.97 180.20 2wri n LEU 81 N -4.16 0.00 -1.48 3.80 7.99 -0.20 -1.02 117.00 121.93 2wri n LEU 81 Ca -0.01 0.33 0.04 0.00 -0.01 0.00 0.00 56.01 56.36 2wri n LEU 81 Cb 0.36 -0.33 0.32 0.00 -0.11 0.00 0.00 43.42 43.65 2wri n LEU 81 CO 0.39 -0.05 0.84 0.23 -1.51 0.00 0.00 177.39 177.29 2wri n MET 82 N -1.33 3.68 0.00 3.23 2.81 0.66 -3.65 117.12 122.53 2wri n MET 82 Ca 0.11 -3.03 0.00 0.00 -1.81 0.00 0.00 57.70 52.97 2wri n MET 82 Cb 0.22 -2.07 0.00 0.00 -0.71 0.00 0.00 33.22 30.67 2wri n MET 82 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2wri n ASP 83 N -0.11 0.00 0.04 7.83 3.85 -0.19 -4.65 116.55 123.32 2wri n ASP 83 Ca 0.29 0.00 -0.06 0.00 -0.71 0.00 0.00 54.79 54.31 2wri n ASP 83 Cb 1.12 0.00 0.13 0.00 -1.35 0.00 0.00 41.12 41.01 2wri n ASP 83 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 2wri h ILE 84 N 0.00 1.33 0.00 2.12 1.08 -1.88 -3.48 117.51 116.68 2wri h ILE 84 Ca 0.00 -1.71 0.00 0.00 -0.39 0.00 0.00 64.86 62.76 2wri h ILE 84 Cb 0.00 1.74 0.00 0.00 -3.07 0.00 0.00 36.82 35.49 2wri h ILE 84 CO 0.00 0.52 0.00 0.61 -0.69 0.00 0.00 178.15 178.59 2wri n GLY 85 N 0.07 2.53 3.98 5.37 0.00 -1.26 -5.10 105.19 110.78 2wri n GLY 85 Ca -0.02 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 2wri n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wri h TYR 87 N 0.12 -0.58 -0.93 0.00 3.20 -1.99 0.34 116.97 117.14 2wri h TYR 87 Ca -0.41 0.00 0.21 0.00 3.14 0.00 0.00 58.73 61.68 2wri h TYR 87 Cb 1.29 0.23 -0.12 0.00 1.54 0.00 0.00 36.73 39.67 2wri h TYR 87 CO 0.33 -0.32 0.48 0.00 -1.64 0.00 0.00 178.16 177.00 2wri h ARG 88 N -0.46 0.51 -0.01 1.82 3.08 -1.92 -1.68 114.38 115.71 2wri h ARG 88 Ca 0.00 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.03 2wri h ARG 88 Cb 0.44 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2wri h ARG 88 CO -0.06 0.34 -0.19 0.78 -1.07 0.00 0.00 179.97 179.77 2wri h GLY 89 N 0.53 -1.33 0.00 0.04 0.00 -0.52 -3.23 103.07 98.56 2wri h GLY 89 Ca 0.57 0.64 0.00 0.00 0.00 0.00 0.00 47.33 48.53 2wri h GLY 89 CO -0.47 -0.44 0.00 1.04 0.00 0.00 0.00 176.54 176.68 2wri n LEU 90 N -3.54 0.00 0.00 3.11 4.77 -0.07 -2.73 117.00 118.54 2wri n LEU 90 Ca -0.02 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2wri n LEU 90 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2wri n LEU 90 CO 0.04 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.64 2wri n ARG 91 N -0.36 0.00 0.03 3.23 5.12 -1.06 0.49 116.66 124.11 2wri n ARG 91 Ca 0.00 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.80 2wri n ARG 91 Cb 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.24 2wri n ARG 91 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2wri h HIS 92 N 0.00 -0.03 -0.79 -1.55 3.86 -1.53 0.68 115.15 115.79 2wri h HIS 92 Ca 0.00 0.00 0.23 0.00 -1.16 0.00 0.00 60.37 59.44 2wri h HIS 92 Cb 0.00 0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.45 2wri h HIS 92 CO 0.00 -0.02 0.60 0.00 0.86 0.00 0.00 177.93 179.36 2wri h ARG 93 N -0.02 0.00 0.00 2.45 3.08 1.13 0.66 114.38 121.68 2wri h ARG 93 Ca 0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2wri h ARG 93 Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 2wri h ARG 93 CO -0.03 0.00 -1.27 0.54 -1.07 0.00 0.00 179.97 178.14 2wri n ARG 94 N -4.20 0.62 -0.36 0.04 5.12 -0.51 -4.97 116.66 112.41 2wri n ARG 94 Ca 0.16 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 56.14 2wri n ARG 94 Cb 0.89 -1.76 0.00 0.00 -1.16 0.00 0.00 32.46 30.43 2wri n ARG 94 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wri n GLY 95 N 1.22 0.70 3.96 -0.13 0.00 0.23 -5.05 105.19 106.12 2wri n GLY 95 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 2wri n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wri s LEU 96 N 0.00 2.97 0.27 0.99 1.43 -0.07 -4.34 118.68 119.92 2wri s LEU 96 Ca 0.00 0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 52.81 2wri s LEU 96 Cb 0.00 -2.52 -0.10 0.00 0.03 0.00 0.00 46.19 43.60 2wri s LEU 96 CO 0.00 -1.73 1.43 -2.16 0.23 0.00 0.00 176.35 174.12 2wri s PRO 97 N -5.17 4.26 -0.06 1.29 0.04 -1.26 -4.18 135.00 129.92 2wri s PRO 97 Ca 0.63 2.32 -0.16 0.00 0.04 0.00 0.00 61.00 63.84 2wri s PRO 97 Cb -0.08 -3.09 -0.30 0.00 0.04 0.00 0.00 34.50 31.07 2wri s PRO 97 CO 0.44 -0.40 0.72 0.28 0.04 0.00 0.00 177.00 178.08 2wri h VAL 98 N 3.41 1.13 -0.44 -0.36 2.07 -1.92 -3.43 116.25 116.72 2wri h VAL 98 Ca -0.47 -2.51 -0.68 0.00 0.82 0.00 0.00 66.70 63.86 2wri h VAL 98 Cb 1.22 2.88 -0.06 0.00 -1.52 0.00 0.00 31.29 33.81 2wri h VAL 98 CO 0.75 0.77 2.60 0.54 0.02 0.00 0.00 177.57 182.24 2wri n ARG 99 N -3.83 2.94 0.00 1.57 1.74 -1.26 -4.84 116.66 112.98 2wri n ARG 99 Ca -0.22 -2.91 0.00 0.00 -0.77 0.00 0.00 57.85 53.96 2wri n ARG 99 Cb 0.97 -3.40 0.00 0.00 -1.02 0.00 0.00 32.46 29.02 2wri n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wri n GLY 100 N 4.80 0.00 0.00 -0.13 0.00 -1.26 -4.94 105.19 103.66 2wri n GLY 100 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 2wri n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wri n GLN 101 N 0.96 0.00 -3.53 1.61 6.02 -1.26 -5.12 117.38 116.07 2wri n GLN 101 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 2wri n GLN 101 Cb 0.00 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.18 2wri n GLN 101 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2wri s ARG 102 N 0.05 2.59 -0.42 -1.09 3.52 -1.26 -4.95 118.95 117.39 2wri s ARG 102 Ca 0.00 -1.84 0.01 0.00 -0.13 0.00 0.00 55.73 53.76 2wri s ARG 102 Cb 0.00 -3.98 0.41 0.00 -1.56 0.00 0.00 34.95 29.82 2wri s ARG 102 CO 0.00 -1.21 1.86 0.25 -0.81 0.00 0.00 175.30 175.39 2wri n THR 103 N 4.81 2.94 0.00 4.11 -2.24 -1.26 -3.55 114.28 119.10 2wri n THR 103 Ca -0.06 -1.89 0.00 0.00 -2.27 0.00 0.00 64.05 59.83 2wri n THR 103 Cb 0.41 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 2wri n THR 103 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2wri n ARG 104 N -0.50 1.26 0.00 -0.78 0.63 -1.26 -4.83 116.66 111.19 2wri n ARG 104 Ca 0.46 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 2wri n ARG 104 Cb 0.98 -0.93 0.00 0.00 0.45 0.00 0.00 32.46 32.96 2wri n ARG 104 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2wri n THR 105 N -1.37 0.00 -0.37 5.15 -2.24 -1.25 -5.11 114.28 109.10 2wri n THR 105 Ca 0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2wri n THR 105 Cb 0.07 1.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 2wri n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wri n ASN 106 N -0.06 2.32 0.00 3.42 3.02 -1.23 -4.96 115.26 117.77 2wri n ASN 106 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2wri n ASN 106 Cb 0.11 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 2wri n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wri n ALA 107 N -3.00 0.00 0.04 5.41 0.00 -1.26 -4.72 120.51 116.98 2wri n ALA 107 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2wri n ALA 107 Cb 0.00 -0.29 0.10 0.00 0.00 0.00 0.00 19.45 19.26 2wri n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wri n ARG 108 N -2.79 0.03 0.05 0.00 3.00 -1.26 -0.60 116.66 115.07 2wri n ARG 108 Ca 0.00 0.39 -0.12 0.00 -0.01 0.00 0.00 57.85 58.11 2wri n ARG 108 Cb 0.00 -1.77 -0.13 0.00 0.00 0.00 0.00 32.46 30.55 2wri n ARG 108 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 2wri h THR 109 N 0.00 1.27 0.00 0.55 2.02 -1.99 -3.34 112.91 111.42 2wri h THR 109 Ca 0.00 -2.97 0.00 0.00 0.77 0.00 0.00 66.41 64.21 2wri h THR 109 Cb 0.38 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 2wri h THR 109 CO 0.00 0.80 -1.21 0.54 0.37 0.00 0.00 175.52 176.02 2wri n ARG 110 N -3.34 0.18 -3.87 6.66 1.74 0.23 -4.95 116.66 113.31 2wri n ARG 110 Ca -0.11 -0.05 -0.22 0.00 -0.77 0.00 0.00 57.85 56.70 2wri n ARG 110 Cb 1.01 -1.51 -0.04 0.00 -1.02 0.00 0.00 32.46 30.89 2wri n ARG 110 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2wri s LYS 111 N -3.14 2.59 -0.06 5.56 2.20 -0.48 -4.54 119.74 121.86 2wri s LYS 111 Ca 0.04 -1.41 -0.30 0.00 -0.36 0.00 0.00 55.97 53.94 2wri s LYS 111 Cb 0.15 -2.36 -0.02 0.00 -1.51 0.00 0.00 37.83 34.09 2wri s LYS 111 CO 0.86 0.06 1.04 0.20 -0.36 0.00 0.00 175.35 177.16 2wri s GLY 112 N -3.97 2.44 -0.24 5.54 0.00 -1.26 -4.74 107.32 105.09 2wri s GLY 112 Ca 0.41 0.48 -0.20 0.00 0.00 0.00 0.00 44.72 45.41 2wri s GLY 112 CO 0.25 1.92 1.00 -1.05 0.00 0.00 0.00 173.10 175.23 2wri n PRO 113 N 4.73 0.00 0.00 2.90 -0.02 -1.26 -4.17 135.00 137.17 2wri n PRO 113 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2wri n PRO 113 Cb 0.49 -0.69 0.00 0.00 -0.02 0.00 0.00 33.50 33.28 2wri n PRO 113 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wri n ARG 114 N 3.48 0.00 -3.69 -0.52 1.74 -1.26 -4.90 116.66 111.50 2wri n ARG 114 Ca 0.26 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.97 2wri n ARG 114 Cb -0.02 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.34 2wri n ARG 114 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2wri s LYS 115 N 0.00 2.80 0.92 5.56 -2.85 -1.26 -5.08 119.74 119.83 2wri s LYS 115 Ca 0.00 -2.80 -0.16 0.00 -1.00 0.00 0.00 55.97 52.01 2wri s LYS 115 Cb 0.00 -3.80 -0.08 0.00 -2.06 0.00 0.00 37.83 31.89 2wri s LYS 115 CO 0.00 -1.21 -0.23 2.41 0.10 0.00 0.00 175.35 176.42 2wri n THR 116 N 3.07 0.17 -3.99 3.79 -1.04 -1.26 -5.00 114.28 110.01 2wri n THR 116 Ca 0.13 -0.39 -0.20 0.00 -2.04 0.00 0.00 64.05 61.55 2wri n THR 116 Cb 0.38 -0.28 -0.17 0.00 -1.82 0.00 0.00 70.33 68.44 2wri n THR 116 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wri s VAL 117 N -2.13 0.40 0.00 12.58 1.01 -1.26 -5.12 120.40 125.89 2wri s VAL 117 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2wri s VAL 117 Cb -0.23 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.67 2wri s VAL 117 CO 0.74 0.21 0.00 0.00 0.00 0.00 0.00 175.10 176.06 2wri n ALA 118 N 4.39 0.00 -0.01 5.51 0.00 -1.26 -4.68 120.51 124.46 2wri n ALA 118 Ca -0.20 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.23 2wri n ALA 118 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 2wri n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wri n GLY 119 N 0.00 -0.27 4.16 0.00 0.00 -1.26 -4.96 105.19 102.87 2wri n GLY 119 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2wri n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wri n LYS 120 N -2.77 0.00 -0.04 1.61 4.01 -1.26 -4.87 118.16 114.84 2wri n LYS 120 Ca -0.01 0.00 0.01 0.00 -0.51 0.00 0.00 58.31 57.79 2wri n LYS 120 Cb 0.05 -2.30 -0.00 0.00 -0.51 0.00 0.00 35.03 32.27 2wri n LYS 120 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2wri n LYS 121 N -1.77 -0.08 -3.61 1.97 4.01 -1.26 -5.01 118.16 112.41 2wri n LYS 121 Ca 0.00 0.06 -0.02 0.00 -0.51 0.00 0.00 58.31 57.84 2wri n LYS 121 Cb 0.00 -0.10 -0.01 0.00 -0.51 0.00 0.00 35.03 34.40 2wri n LYS 121 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 2wri s LYS 122 N -0.11 0.28 -0.34 1.97 0.00 -1.26 -5.11 119.74 115.17 2wri s LYS 122 Ca 0.00 -0.13 -0.28 0.00 0.00 0.00 0.00 55.97 55.56 2wri s LYS 122 Cb 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 37.83 37.92 2wri s LYS 122 CO 0.00 -0.12 1.85 0.00 0.00 0.00 0.00 175.35 177.08 2wri s ALA 123 N -2.34 2.78 0.00 0.59 0.00 -1.26 -4.96 121.76 116.57 2wri s ALA 123 Ca 0.12 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.32 2wri s ALA 123 Cb 0.02 -4.05 0.00 0.00 0.00 0.00 0.00 23.12 19.09 2wri s ALA 123 CO -0.04 -2.76 0.00 -2.30 0.00 0.00 0.00 175.76 170.65 2wri n PRO 124 N 8.52 0.00 -2.74 0.00 -0.02 -1.26 -4.94 135.00 134.55 2wri n PRO 124 Ca 0.24 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.63 2wri n PRO 124 Cb 0.47 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.93 2wri n PRO 124 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wri n ARG 125 N 0.00 1.14 0.00 -0.52 5.12 -1.26 -5.29 116.66 115.84 2wri n ARG 125 Ca 0.00 -1.05 0.00 0.00 -1.93 0.00 0.00 57.85 54.87 2wri n ARG 125 Cb 0.00 0.46 0.00 0.00 -1.16 0.00 0.00 32.46 31.76 2wri n ARG 125 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87