#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wri s ARG 2 N 0.00 0.69 0.05 0.03 0.52 -0.46 -4.89 118.95 114.88 2wri s ARG 2 Ca 0.00 -0.42 -0.24 0.00 -0.52 0.00 0.00 55.73 54.55 2wri s ARG 2 Cb 0.00 0.30 -0.06 0.00 0.52 0.00 0.00 34.95 35.71 2wri s ARG 2 CO 0.00 -0.20 0.73 0.50 0.02 0.00 0.00 175.30 176.35 2wri s ARG 3 N -1.99 4.46 0.22 3.54 3.52 -1.26 -2.19 118.95 125.24 2wri s ARG 3 Ca -0.09 1.00 0.01 0.00 -0.13 0.00 0.00 55.73 56.52 2wri s ARG 3 Cb -0.03 -3.35 -0.05 0.00 -1.56 0.00 0.00 34.95 29.96 2wri s ARG 3 CO -0.00 0.33 0.07 0.71 -0.81 0.00 0.00 175.30 175.60 2wri s TYR 4 N -0.20 1.37 -0.50 5.12 2.02 0.01 -2.20 117.35 122.98 2wri s TYR 4 Ca 0.37 -1.16 0.03 0.00 -0.37 0.00 0.00 57.07 55.94 2wri s TYR 4 Cb -0.20 -0.78 0.14 0.00 -0.40 0.00 0.00 41.96 40.72 2wri s TYR 4 CO 0.22 -0.34 0.30 -1.21 -1.57 0.00 0.00 175.55 172.94 2wri s GLU 5 N -4.01 1.58 0.15 -0.62 2.02 -0.73 -1.39 118.70 115.70 2wri s GLU 5 Ca 0.33 -2.36 -0.31 0.00 0.02 0.00 0.00 54.97 52.65 2wri s GLU 5 Cb 0.07 -2.62 -0.09 0.00 0.10 0.00 0.00 34.13 31.60 2wri s GLU 5 CO 0.10 -1.20 1.40 0.08 0.02 0.00 0.00 175.26 175.67 2wri s VAL 6 N -0.11 3.13 -0.15 2.63 1.01 -0.89 -3.23 120.40 122.80 2wri s VAL 6 Ca 0.20 0.84 0.01 0.00 0.00 0.00 0.00 61.98 63.04 2wri s VAL 6 Cb -0.18 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.67 2wri s VAL 6 CO -0.05 0.08 -0.18 0.20 0.00 0.00 0.00 175.10 175.16 2wri s ASN 7 N 0.90 2.85 -0.03 3.32 0.01 -1.15 -1.95 114.94 118.90 2wri s ASN 7 Ca 0.63 -0.54 0.06 0.00 -0.71 0.00 0.00 52.86 52.30 2wri s ASN 7 Cb -0.38 -1.30 -0.01 0.00 0.41 0.00 0.00 41.25 39.96 2wri s ASN 7 CO 0.33 0.01 -0.20 -0.63 -1.51 0.00 0.00 177.10 175.10 2wri s ILE 8 N 1.15 1.61 -0.17 0.60 1.01 -1.26 -1.48 121.20 122.67 2wri s ILE 8 Ca -0.01 -0.85 -0.00 0.00 0.00 0.00 0.00 60.65 59.79 2wri s ILE 8 Cb -0.14 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 40.98 2wri s ILE 8 CO -0.07 0.46 -0.15 -0.69 0.00 0.00 0.00 174.94 174.49 2wri s VAL 9 N -0.29 2.60 0.31 2.92 1.01 0.14 -1.34 120.40 125.76 2wri s VAL 9 Ca 0.03 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.32 2wri s VAL 9 Cb -0.10 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 2wri s VAL 9 CO 0.01 0.51 0.07 -0.76 0.00 0.00 0.00 175.10 174.93 2wri s LEU 10 N 1.01 3.22 0.10 3.92 1.43 0.98 -1.16 118.68 128.17 2wri s LEU 10 Ca -0.02 -0.74 -0.33 0.00 -1.03 0.00 0.00 54.13 52.02 2wri s LEU 10 Cb -0.15 -1.70 -0.12 0.00 0.03 0.00 0.00 46.19 44.25 2wri s LEU 10 CO -0.03 -0.17 1.74 -3.20 0.23 0.00 0.00 176.35 174.92 2wri n ASN 11 N -1.03 3.56 -0.05 2.29 2.85 -0.99 -1.17 115.26 120.72 2wri n ASN 11 Ca -0.05 1.03 -0.15 0.00 -0.11 0.00 0.00 54.58 55.30 2wri n ASN 11 Cb 0.60 -1.47 -0.06 0.00 1.24 0.00 0.00 39.78 40.09 2wri n ASN 11 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2wri h PRO 12 N 7.52 0.67 -2.26 1.20 0.13 -1.92 -3.20 132.00 134.14 2wri h PRO 12 Ca -0.46 -0.46 -0.07 0.00 -0.87 0.00 0.00 66.00 64.13 2wri h PRO 12 Cb 1.24 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 2wri h PRO 12 CO 0.93 1.09 -0.02 0.09 -0.23 0.00 0.00 178.00 179.85 2wri n ASN 13 N -4.16 3.17 -4.65 1.44 3.02 -1.26 -4.80 115.26 108.02 2wri n ASN 13 Ca -0.06 -2.00 -0.25 0.00 -0.03 0.00 0.00 54.58 52.23 2wri n ASN 13 Cb 0.59 -0.79 -0.08 0.00 -0.61 0.00 0.00 39.78 38.89 2wri n ASN 13 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wri s LEU 14 N 0.00 3.25 -0.10 3.41 1.43 -1.21 -5.13 118.68 120.33 2wri s LEU 14 Ca 0.26 -0.49 -0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2wri s LEU 14 Cb 0.12 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 2wri s LEU 14 CO 0.00 0.06 -0.07 1.51 0.23 0.00 0.00 176.35 178.07 2wri s ASP 15 N -3.21 4.57 0.41 2.29 1.47 -1.26 -4.95 116.67 115.98 2wri s ASP 15 Ca 0.29 -0.10 0.12 0.00 1.18 0.00 0.00 52.55 54.04 2wri s ASP 15 Cb -0.08 -1.38 0.67 0.00 -0.34 0.00 0.00 42.92 41.79 2wri s ASP 15 CO 0.19 0.28 1.27 0.06 0.68 0.00 0.00 175.17 177.65 2wri h GLN 16 N 5.85 0.00 0.00 2.11 -0.00 -2.00 0.60 115.11 121.67 2wri h GLN 16 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.25 2wri h GLN 16 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.66 2wri h GLN 16 CO 0.56 0.00 0.00 0.43 -0.00 0.00 0.00 178.83 179.82 2wri n SER 17 N -2.17 0.00 0.00 0.06 7.64 -1.26 -2.97 113.62 114.92 2wri n SER 17 Ca -0.01 0.94 0.13 0.00 1.01 0.00 0.00 58.87 60.95 2wri n SER 17 Cb 0.47 -0.45 0.64 0.00 -1.01 0.00 0.00 64.21 63.86 2wri n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wri n GLN 18 N -1.84 0.27 0.22 1.43 6.02 0.39 -2.86 117.38 121.00 2wri n GLN 18 Ca 0.00 0.04 0.09 0.00 -0.01 0.00 0.00 57.00 57.12 2wri n GLN 18 Cb 0.00 -1.50 0.48 0.00 1.02 0.00 0.00 30.24 30.24 2wri n GLN 18 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2wri h LEU 19 N 0.00 0.00 0.63 1.08 6.46 0.11 -2.78 115.31 120.82 2wri h LEU 19 Ca 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 2wri h LEU 19 Cb 0.31 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.25 2wri h LEU 19 CO 0.00 0.25 -0.30 0.00 -0.62 0.00 0.00 178.44 177.77 2wri h ALA 20 N 1.75 -0.85 -1.03 1.25 0.00 -1.41 -0.97 119.26 117.99 2wri h ALA 20 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2wri h ALA 20 Cb 0.68 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2wri h ALA 20 CO 0.03 -0.82 0.00 1.28 0.00 0.00 0.00 179.25 179.75 2wri n LEU 21 N -5.35 0.00 -0.12 0.00 7.99 -1.07 0.13 117.00 118.57 2wri n LEU 21 Ca -0.11 0.59 -0.04 0.00 -0.01 0.00 0.00 56.01 56.44 2wri n LEU 21 Cb 0.35 -0.21 0.02 0.00 -0.11 0.00 0.00 43.42 43.47 2wri n LEU 21 CO 0.28 -0.21 0.81 -0.33 -1.51 0.00 0.00 177.39 176.43 2wri h GLU 22 N 0.00 0.03 0.00 3.23 4.39 -1.60 0.92 114.58 121.55 2wri h GLU 22 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2wri h GLU 22 Cb 0.00 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2wri h GLU 22 CO 0.00 0.02 0.00 1.17 -1.16 0.00 0.00 179.01 179.04 2wri n LYS 23 N -5.28 0.17 -0.12 2.33 4.81 -0.37 -1.44 118.16 118.26 2wri n LYS 23 Ca 0.03 0.17 -0.20 0.00 -0.87 0.00 0.00 58.31 57.44 2wri n LYS 23 Cb 0.22 -1.50 -0.11 0.00 0.02 0.00 0.00 35.03 33.67 2wri n LYS 23 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2wri n GLU 24 N -1.28 0.59 0.26 1.64 2.13 0.34 -4.09 120.64 120.24 2wri n GLU 24 Ca 0.05 0.17 0.09 0.00 0.66 0.00 0.00 57.16 58.13 2wri n GLU 24 Cb 0.09 -1.47 0.65 0.00 0.27 0.00 0.00 31.44 30.99 2wri n GLU 24 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2wri h ILE 25 N -0.28 0.97 0.00 6.31 1.08 0.11 1.08 117.51 126.78 2wri h ILE 25 Ca -0.58 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 2wri h ILE 25 Cb 1.76 1.00 0.00 0.00 -3.07 0.00 0.00 36.82 36.51 2wri h ILE 25 CO -0.18 0.00 0.00 0.40 -0.69 0.00 0.00 178.15 177.68 2wri h ILE 26 N 0.00 0.00 0.00 -0.67 2.04 -1.42 -0.70 117.51 116.76 2wri h ILE 26 Ca 0.00 -0.31 -0.26 0.00 1.00 0.00 0.00 64.86 65.30 2wri h ILE 26 Cb 0.02 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 2wri h ILE 26 CO -0.00 0.00 -1.45 0.00 0.00 0.00 0.00 178.15 176.70 2wri n GLN 27 N -2.72 0.56 -0.26 2.37 1.13 0.35 -3.05 117.38 115.76 2wri n GLN 27 Ca 0.01 0.51 0.01 0.00 -1.94 0.00 0.00 57.00 55.59 2wri n GLN 27 Cb 0.23 -1.69 0.08 0.00 0.11 0.00 0.00 30.24 28.97 2wri n GLN 27 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wri h ARG 28 N -1.00 -0.01 0.00 -1.09 3.08 -0.69 -2.26 114.38 112.41 2wri h ARG 28 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.66 2wri h ARG 28 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2wri h ARG 28 CO -0.23 -0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.66 2wri n ALA 29 N -3.25 -0.11 -0.30 0.04 0.00 -0.29 -1.00 120.51 115.60 2wri n ALA 29 Ca 0.10 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.79 2wri n ALA 29 Cb 0.38 0.06 0.41 0.00 0.00 0.00 0.00 19.45 20.31 2wri n ALA 29 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wri n LEU 30 N -1.01 0.10 -0.06 0.00 4.77 -1.10 0.91 117.00 120.60 2wri n LEU 30 Ca 0.00 0.76 -0.10 0.00 -0.03 0.00 0.00 56.01 56.64 2wri n LEU 30 Cb 0.00 -0.38 -0.09 0.00 -2.33 0.00 0.00 43.42 40.62 2wri n LEU 30 CO 0.00 -0.82 0.27 -0.08 -1.33 0.00 0.00 177.39 175.44 2wri h GLU 31 N 0.00 0.00 -0.45 3.23 4.81 -1.27 0.22 114.58 121.12 2wri h GLU 31 Ca 0.52 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.84 2wri h GLU 31 Cb 1.77 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 31.06 2wri h GLU 31 CO -0.22 0.73 -0.33 -0.91 -0.73 0.00 0.00 179.01 177.55 2wri h ASN 32 N -1.00 -1.11 -0.43 1.04 -0.26 0.23 0.22 115.58 114.27 2wri h ASN 32 Ca -0.00 0.20 -0.29 0.00 -0.56 0.00 0.00 56.30 55.65 2wri h ASN 32 Cb 0.73 0.53 -0.11 0.00 -1.06 0.00 0.00 38.32 38.41 2wri h ASN 32 CO -0.00 -0.32 0.06 -1.22 -1.06 0.00 0.00 177.43 174.89 2wri n TYR 33 N -5.42 0.79 -0.19 1.19 4.02 -0.84 -4.91 117.16 111.80 2wri n TYR 33 Ca 0.02 -1.65 0.00 0.00 -0.01 0.00 0.00 57.90 56.26 2wri n TYR 33 Cb 0.34 -1.25 0.00 0.00 -0.02 0.00 0.00 39.34 38.41 2wri n TYR 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wri n GLY 34 N 1.45 0.00 2.42 2.72 0.00 0.78 -4.81 105.19 107.74 2wri n GLY 34 Ca 0.36 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.13 2wri n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wri s ALA 35 N 0.00 1.13 -0.26 4.61 0.00 0.76 -4.25 121.76 123.75 2wri s ALA 35 Ca 0.00 -2.28 -0.40 0.00 0.00 0.00 0.00 51.96 49.28 2wri s ALA 35 Cb 0.00 -1.67 -0.15 0.00 0.00 0.00 0.00 23.12 21.30 2wri s ALA 35 CO 0.00 -1.99 1.76 -2.13 0.00 0.00 0.00 175.76 173.40 2wri n ARG 36 N 2.90 1.26 -0.63 0.00 0.63 -0.71 -4.59 116.66 115.53 2wri n ARG 36 Ca 0.28 0.46 -0.18 0.00 -0.92 0.00 0.00 57.85 57.49 2wri n ARG 36 Cb 0.48 -2.16 0.16 0.00 0.45 0.00 0.00 32.46 31.38 2wri n ARG 36 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2wri n VAL 37 N 4.67 0.00 -2.04 5.15 0.31 -1.26 -1.37 118.33 123.78 2wri n VAL 37 Ca 0.26 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2wri n VAL 37 Cb 0.15 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 2wri n VAL 37 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wri n GLU 38 N -3.59 0.00 -0.41 5.55 1.02 0.07 -4.69 120.64 118.59 2wri n GLU 38 Ca 0.09 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.09 2wri n GLU 38 Cb 0.36 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.79 2wri n GLU 38 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wri n LYS 39 N 0.00 0.00 -3.64 3.49 5.02 -1.25 -4.39 118.16 117.38 2wri n LYS 39 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 2wri n LYS 39 Cb 0.00 -0.42 -0.07 0.00 -0.02 0.00 0.00 35.03 34.52 2wri n LYS 39 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wri s VAL 40 N -0.84 0.00 -0.07 -0.18 0.11 -1.26 -2.34 120.40 115.82 2wri s VAL 40 Ca 0.14 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.19 2wri s VAL 40 Cb 0.04 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.92 2wri s VAL 40 CO 0.25 0.00 -0.04 -1.61 -3.33 0.00 0.00 175.10 170.37 2wri s GLU 41 N 0.92 0.95 -1.02 1.54 2.02 -1.25 -5.01 118.70 116.85 2wri s GLU 41 Ca -0.05 -0.08 -0.03 0.00 0.02 0.00 0.00 54.97 54.83 2wri s GLU 41 Cb -0.04 -1.08 0.29 0.00 0.10 0.00 0.00 34.13 33.41 2wri s GLU 41 CO -0.12 -0.19 1.31 -1.91 0.02 0.00 0.00 175.26 174.37 2wri n GLU 42 N 4.61 4.04 0.00 1.61 2.13 -1.26 -2.61 120.64 129.15 2wri n GLU 42 Ca -0.16 -4.56 0.00 0.00 0.66 0.00 0.00 57.16 53.10 2wri n GLU 42 Cb 0.50 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.74 2wri n GLU 42 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2wri n LEU 43 N 1.46 0.00 0.00 4.31 4.32 -1.18 -4.84 117.00 121.07 2wri n LEU 43 Ca 0.26 0.07 0.02 0.00 -0.02 0.00 0.00 56.01 56.34 2wri n LEU 43 Cb 0.35 -0.07 -0.00 0.00 -1.62 0.00 0.00 43.42 42.08 2wri n LEU 43 CO 0.64 -0.07 -0.02 0.61 -1.22 0.00 0.00 177.39 177.33 2wri n GLY 44 N -0.99 -1.48 3.69 -0.72 0.00 -1.19 -4.83 105.19 99.68 2wri n GLY 44 Ca 0.00 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 2wri n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wri s LEU 45 N 0.00 2.93 -0.10 0.99 2.96 -1.26 -1.78 118.68 122.42 2wri s LEU 45 Ca 0.00 2.15 -0.32 0.00 -0.22 0.00 0.00 54.13 55.75 2wri s LEU 45 Cb 0.00 -4.56 0.12 0.00 0.50 0.00 0.00 46.19 42.25 2wri s LEU 45 CO 0.00 -2.86 1.06 -0.13 -1.32 0.00 0.00 176.35 173.10 2wri s ARG 46 N -4.61 0.56 -0.08 1.98 0.52 0.11 -4.84 118.95 112.58 2wri s ARG 46 Ca 0.67 -0.21 -0.23 0.00 -0.52 0.00 0.00 55.73 55.44 2wri s ARG 46 Cb -0.23 0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.46 2wri s ARG 46 CO 0.56 -0.25 0.68 1.03 0.02 0.00 0.00 175.30 177.35 2wri s ARG 47 N -2.75 4.41 0.24 3.54 0.52 -1.26 -0.23 118.95 123.40 2wri s ARG 47 Ca 0.08 0.82 -0.13 0.00 -0.52 0.00 0.00 55.73 55.98 2wri s ARG 47 Cb -0.01 -3.46 -0.08 0.00 0.52 0.00 0.00 34.95 31.92 2wri s ARG 47 CO -0.06 0.04 0.61 -0.51 0.02 0.00 0.00 175.30 175.39 2wri s LEU 48 N 0.91 4.19 0.00 2.53 1.43 -1.00 -4.95 118.68 121.79 2wri s LEU 48 Ca 0.36 1.08 0.13 0.00 -1.03 0.00 0.00 54.13 54.67 2wri s LEU 48 Cb -0.17 -3.69 0.61 0.00 0.03 0.00 0.00 46.19 42.97 2wri s LEU 48 CO 0.17 -0.06 1.39 0.00 0.23 0.00 0.00 176.35 178.08 2wri n ALA 49 N 0.06 1.68 -3.59 4.21 0.00 -1.26 -4.72 120.51 116.89 2wri n ALA 49 Ca -0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 2wri n ALA 49 Cb 0.52 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.70 2wri n ALA 49 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2wri s TYR 50 N -2.82 -0.39 -0.61 0.00 1.13 -1.26 -5.13 117.35 108.28 2wri s TYR 50 Ca 0.09 0.72 -0.27 0.00 -1.41 0.00 0.00 57.07 56.21 2wri s TYR 50 Cb 0.09 0.43 -0.11 0.00 -1.10 0.00 0.00 41.96 41.28 2wri s TYR 50 CO 0.23 -0.32 2.47 -0.35 -2.51 0.00 0.00 175.55 175.06 2wri n PRO 51 N 1.00 0.80 -3.01 -3.49 -0.04 -1.26 -4.89 135.00 124.10 2wri n PRO 51 Ca -0.11 -0.06 -0.43 0.00 -0.04 0.00 0.00 63.50 62.85 2wri n PRO 51 Cb 0.57 -3.08 -0.05 0.00 -0.04 0.00 0.00 33.50 30.91 2wri n PRO 51 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2wri s ILE 52 N 11.67 4.65 -0.33 0.52 1.01 0.24 -4.05 121.20 134.90 2wri s ILE 52 Ca 1.05 -0.22 -0.00 0.00 0.00 0.00 0.00 60.65 61.48 2wri s ILE 52 Cb -0.38 -4.43 0.00 0.00 0.01 0.00 0.00 42.46 37.66 2wri s ILE 52 CO 0.30 -0.99 0.27 0.00 0.00 0.00 0.00 174.94 174.52 2wri n ALA 53 N 6.78 -0.53 0.00 9.38 0.00 -1.26 -3.29 120.51 131.60 2wri n ALA 53 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2wri n ALA 53 Cb 0.46 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2wri n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wri n LYS 54 N -1.83 0.00 -3.63 0.00 4.76 -1.26 -4.92 118.16 111.27 2wri n LYS 54 Ca -0.07 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.05 2wri n LYS 54 Cb 0.54 -3.07 -0.05 0.00 -1.84 0.00 0.00 35.03 30.61 2wri n LYS 54 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2wri s ASP 55 N -1.98 6.53 0.00 4.39 -1.08 -1.21 -5.00 116.67 118.33 2wri s ASP 55 Ca 0.00 0.66 0.18 0.00 -0.52 0.00 0.00 52.55 52.87 2wri s ASP 55 Cb 0.00 -2.12 0.23 0.00 -1.46 0.00 0.00 42.92 39.57 2wri s ASP 55 CO 0.00 0.07 1.17 -0.81 0.52 0.00 0.00 175.17 176.12 2wri n PRO 56 N 0.26 1.86 -4.55 4.34 -0.04 -1.26 -0.59 135.00 135.01 2wri n PRO 56 Ca -0.04 -1.79 -0.26 0.00 -0.04 0.00 0.00 63.50 61.38 2wri n PRO 56 Cb 0.52 -1.38 -0.11 0.00 -0.04 0.00 0.00 33.50 32.50 2wri n PRO 56 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2wri s GLN 57 N -1.42 1.84 -0.27 0.54 -0.21 -1.26 -2.38 119.66 116.50 2wri s GLN 57 Ca 0.26 -2.05 -0.23 0.00 0.02 0.00 0.00 55.36 53.36 2wri s GLN 57 Cb 0.17 -1.29 0.08 0.00 1.00 0.00 0.00 33.01 32.97 2wri s GLN 57 CO 0.24 -0.13 0.79 0.20 -2.12 0.00 0.00 175.29 174.26 2wri s GLY 58 N -3.62 -0.46 -0.36 3.09 0.00 0.68 -4.54 107.32 102.11 2wri s GLY 58 Ca 0.34 2.26 -0.19 0.00 0.00 0.00 0.00 44.72 47.13 2wri s GLY 58 CO 0.16 1.90 0.57 -0.47 0.00 0.00 0.00 173.10 175.26 2wri s TYR 59 N 0.57 3.16 0.06 1.90 5.04 -0.31 -0.71 117.35 127.06 2wri s TYR 59 Ca -0.01 0.23 -0.08 0.00 -2.44 0.00 0.00 57.07 54.77 2wri s TYR 59 Cb -0.05 -3.03 -0.05 0.00 0.35 0.00 0.00 41.96 39.18 2wri s TYR 59 CO -0.04 -0.59 0.35 -0.06 -1.34 0.00 0.00 175.55 173.87 2wri s PHE 60 N 2.53 3.57 0.00 4.97 0.40 -0.74 -0.02 117.98 128.70 2wri s PHE 60 Ca 0.21 0.69 0.00 0.00 -0.60 0.00 0.00 56.93 57.23 2wri s PHE 60 Cb -0.15 -2.08 0.00 0.00 0.51 0.00 0.00 43.02 41.30 2wri s PHE 60 CO 0.14 0.55 0.00 1.28 0.70 0.00 0.00 175.22 177.89 2wri n LEU 61 N 0.90 0.00 -3.60 -0.37 4.32 -0.45 -3.11 117.00 114.70 2wri n LEU 61 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 2wri n LEU 61 Cb 0.52 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.31 2wri n LEU 61 CO 0.42 0.00 1.15 0.86 -1.22 0.00 0.00 177.39 178.61 2wri s TRP 62 N -1.42 -0.03 -0.30 -1.77 -0.00 -1.07 -4.14 118.94 110.20 2wri s TRP 62 Ca 0.00 -0.00 -0.15 0.00 -0.00 0.00 0.00 56.10 55.95 2wri s TRP 62 Cb 0.00 0.51 0.16 0.00 -0.00 0.00 0.00 33.47 34.14 2wri s TRP 62 CO 0.00 -0.09 0.98 0.71 -0.00 0.00 0.00 176.95 178.55 2wri s TYR 63 N -2.15 -0.66 -0.40 5.86 2.02 -0.82 -3.95 117.35 117.24 2wri s TYR 63 Ca 0.13 1.18 -0.21 0.00 -0.37 0.00 0.00 57.07 57.80 2wri s TYR 63 Cb 0.03 0.40 0.01 0.00 -0.40 0.00 0.00 41.96 42.00 2wri s TYR 63 CO -0.05 -0.33 0.69 -1.14 -1.57 0.00 0.00 175.55 173.15 2wri s GLN 64 N 2.19 3.53 0.27 -0.62 2.00 -0.99 -2.09 119.66 123.96 2wri s GLN 64 Ca -0.04 -0.05 0.04 0.00 -2.00 0.00 0.00 55.36 53.31 2wri s GLN 64 Cb -0.06 -3.87 -0.06 0.00 0.80 0.00 0.00 33.01 29.83 2wri s GLN 64 CO -0.17 -0.90 0.02 0.14 -0.50 0.00 0.00 175.29 173.88 2wri s VAL 65 N 2.91 1.17 -0.12 1.34 -7.23 -0.49 -0.75 120.40 117.23 2wri s VAL 65 Ca 0.26 -2.04 -0.02 0.00 -1.81 0.00 0.00 61.98 58.38 2wri s VAL 65 Cb -0.14 -2.54 0.04 0.00 0.56 0.00 0.00 36.38 34.30 2wri s VAL 65 CO 0.18 -0.18 0.00 -0.70 -0.31 0.00 0.00 175.10 174.09 2wri s GLU 66 N -3.86 0.75 0.29 4.82 2.12 -0.47 -0.81 118.70 121.53 2wri s GLU 66 Ca 0.32 -0.12 -0.09 0.00 0.36 0.00 0.00 54.97 55.44 2wri s GLU 66 Cb 0.07 -1.44 0.00 0.00 0.26 0.00 0.00 34.13 33.02 2wri s GLU 66 CO 0.12 -0.41 0.48 0.00 -0.54 0.00 0.00 175.26 174.91 2wri s MET 67 N 1.90 1.71 -0.02 4.30 0.23 -0.93 -1.73 119.30 124.75 2wri s MET 67 Ca 0.03 -1.47 -0.30 0.00 -1.03 0.00 0.00 55.69 52.92 2wri s MET 67 Cb -0.14 0.46 -0.05 0.00 -1.53 0.00 0.00 34.83 33.57 2wri s MET 67 CO -0.07 -0.71 1.48 -1.25 -2.03 0.00 0.00 175.02 172.44 2wri s PRO 68 N -3.55 4.24 0.54 3.16 0.04 -1.26 -1.36 135.00 136.81 2wri s PRO 68 Ca 0.26 2.03 0.25 0.00 0.04 0.00 0.00 61.00 63.57 2wri s PRO 68 Cb -0.00 -3.70 1.41 0.00 0.04 0.00 0.00 34.50 32.25 2wri s PRO 68 CO 0.13 -0.67 2.02 1.05 0.04 0.00 0.00 177.00 179.57 2wri h GLU 69 N 8.34 0.00 -0.05 4.56 9.09 -1.91 -2.13 114.58 132.49 2wri h GLU 69 Ca -0.37 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.00 2wri h GLU 69 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 2wri h GLU 69 CO 0.93 0.00 -0.11 0.38 0.05 0.00 0.00 179.01 180.25 2wri h ASP 70 N 0.00 0.18 0.00 3.06 2.03 -2.03 -3.19 116.42 116.47 2wri h ASP 70 Ca 0.21 -0.58 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 2wri h ASP 70 Cb 0.87 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.32 2wri h ASP 70 CO -0.00 0.73 0.00 0.54 -1.03 0.00 0.00 179.24 179.48 2wri n ARG 71 N -4.65 0.82 -0.02 4.15 5.12 -0.83 -3.83 116.66 117.41 2wri n ARG 71 Ca -0.08 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.69 2wri n ARG 71 Cb 0.36 -1.02 -0.10 0.00 -1.16 0.00 0.00 32.46 30.54 2wri n ARG 71 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 2wri h VAL 72 N 0.00 1.47 -0.72 1.55 3.04 -1.47 -3.09 116.25 117.03 2wri h VAL 72 Ca 0.00 -1.82 0.10 0.00 -1.01 0.00 0.00 66.70 63.96 2wri h VAL 72 Cb 0.00 2.51 -0.07 0.00 -2.01 0.00 0.00 31.29 31.72 2wri h VAL 72 CO 0.00 0.51 0.36 0.78 -1.01 0.00 0.00 177.57 178.21 2wri h ASN 73 N -0.29 0.46 -0.37 3.17 2.35 -1.80 -2.35 115.58 116.75 2wri h ASN 73 Ca -0.03 0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 2wri h ASN 73 Cb 1.00 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.34 2wri h ASN 73 CO 0.06 0.26 0.11 0.44 -1.65 0.00 0.00 177.43 176.65 2wri h ASP 74 N 0.60 0.55 -0.65 5.81 3.32 -1.82 -2.59 116.42 121.64 2wri h ASP 74 Ca 0.35 -0.21 0.12 0.00 0.02 0.00 0.00 57.03 57.32 2wri h ASP 74 Cb 0.38 -0.14 -0.12 0.00 0.22 0.00 0.00 39.33 39.66 2wri h ASP 74 CO -0.27 0.61 -0.25 0.25 -1.72 0.00 0.00 179.24 177.86 2wri h LEU 75 N 0.45 -0.88 0.61 1.55 5.85 -1.34 -0.71 115.31 120.84 2wri h LEU 75 Ca 0.12 0.22 -0.03 0.00 0.84 0.00 0.00 57.88 59.03 2wri h LEU 75 Cb 0.27 0.50 0.00 0.00 0.37 0.00 0.00 40.66 41.80 2wri h LEU 75 CO -0.00 -0.27 -0.33 0.00 -0.34 0.00 0.00 178.44 177.51 2wri h ALA 76 N 1.38 -0.87 -0.68 1.25 0.00 -1.38 -1.44 119.26 117.52 2wri h ALA 76 Ca 0.29 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 55.21 2wri h ALA 76 Cb 0.53 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2wri h ALA 76 CO -0.70 -1.00 0.84 -0.09 0.00 0.00 0.00 179.25 178.30 2wri h ARG 77 N -0.87 0.00 0.00 0.00 2.43 -0.80 0.16 114.38 115.30 2wri h ARG 77 Ca -0.08 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 2wri h ARG 77 Cb 0.68 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2wri h ARG 77 CO 0.11 0.00 -0.26 1.49 -1.51 0.00 0.00 179.97 179.80 2wri h GLU 78 N 0.00 0.00 -0.60 0.20 4.57 -0.24 -3.35 114.58 115.16 2wri h GLU 78 Ca 0.32 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.62 2wri h GLU 78 Cb 1.99 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 30.47 2wri h GLU 78 CO -0.00 0.66 -0.16 -0.07 -1.18 0.00 0.00 179.01 178.25 2wri h LEU 79 N -1.00 -0.60 0.00 1.64 3.38 0.25 -0.77 115.31 118.21 2wri h LEU 79 Ca -0.06 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2wri h LEU 79 Cb 0.75 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2wri h LEU 79 CO -0.04 -0.21 0.00 0.54 0.09 0.00 0.00 178.44 178.82 2wri n ARG 80 N -5.42 0.03 0.09 1.13 1.74 -0.50 -3.05 116.66 110.68 2wri n ARG 80 Ca 0.07 0.18 -0.04 0.00 -0.77 0.00 0.00 57.85 57.28 2wri n ARG 80 Cb 0.32 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.22 2wri n ARG 80 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2wri h ILE 81 N 0.00 1.54 -3.57 0.55 2.04 -1.27 -3.45 117.51 113.36 2wri h ILE 81 Ca 0.00 -2.99 -0.52 0.00 1.00 0.00 0.00 64.86 62.35 2wri h ILE 81 Cb 0.01 2.64 0.05 0.00 -0.74 0.00 0.00 36.82 38.78 2wri h ILE 81 CO 0.00 0.84 0.69 -0.13 0.00 0.00 0.00 178.15 179.54 2wri s ARG 82 N -2.93 4.33 0.28 2.37 1.81 -1.17 -4.91 118.95 118.73 2wri s ARG 82 Ca 0.01 2.20 0.02 0.00 -1.72 0.00 0.00 55.73 56.24 2wri s ARG 82 Cb 0.10 -3.12 0.40 0.00 -0.45 0.00 0.00 34.95 31.88 2wri s ARG 82 CO 0.80 -0.29 1.72 -0.44 -0.68 0.00 0.00 175.30 176.41 2wri h ASP 83 N 4.51 0.50 -0.26 0.23 3.45 -1.93 -2.91 116.42 120.01 2wri h ASP 83 Ca -0.47 -0.17 0.00 0.00 0.43 0.00 0.00 57.03 56.83 2wri h ASP 83 Cb 1.22 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.84 2wri h ASP 83 CO 0.73 0.74 0.17 0.78 -1.57 0.00 0.00 179.24 180.09 2wri h ASN 84 N 0.44 0.31 -3.26 6.45 2.35 -1.97 -3.39 115.58 116.51 2wri h ASN 84 Ca 0.06 -0.01 -0.59 0.00 -0.55 0.00 0.00 56.30 55.21 2wri h ASN 84 Cb 0.67 -0.08 -0.08 0.00 0.05 0.00 0.00 38.32 38.88 2wri h ASN 84 CO 0.05 0.23 0.58 -0.69 -1.65 0.00 0.00 177.43 175.96 2wri s VAL 85 N -5.33 4.75 -0.10 2.81 1.01 -1.10 -2.36 120.40 120.08 2wri s VAL 85 Ca -0.07 1.64 0.21 0.00 0.00 0.00 0.00 61.98 63.76 2wri s VAL 85 Cb 0.17 -4.20 -0.26 0.00 0.00 0.00 0.00 36.38 32.09 2wri s VAL 85 CO 0.71 -0.18 0.50 0.54 0.00 0.00 0.00 175.10 176.68 2wri n ARG 86 N 6.22 0.65 -3.74 2.72 1.74 -0.31 -4.83 116.66 119.12 2wri n ARG 86 Ca 0.08 -0.07 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 2wri n ARG 86 Cb 0.47 -1.59 -0.11 0.00 -1.02 0.00 0.00 32.46 30.21 2wri n ARG 86 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wri s ARG 87 N -3.22 0.35 -0.04 5.56 1.81 -1.13 -4.98 118.95 117.30 2wri s ARG 87 Ca -0.07 0.56 0.01 0.00 -1.72 0.00 0.00 55.73 54.51 2wri s ARG 87 Cb 0.11 0.07 0.02 0.00 -0.45 0.00 0.00 34.95 34.71 2wri s ARG 87 CO 0.87 -0.10 -0.03 0.08 -0.68 0.00 0.00 175.30 175.44 2wri s VAL 88 N 0.70 0.42 -0.30 3.52 1.01 -1.26 -0.68 120.40 123.81 2wri s VAL 88 Ca -0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 2wri s VAL 88 Cb -0.05 -0.46 0.12 0.00 0.00 0.00 0.00 36.38 35.99 2wri s VAL 88 CO -0.05 0.19 0.22 -0.32 0.00 0.00 0.00 175.10 175.15 2wri s MET 89 N 0.85 0.30 0.08 2.72 0.00 -0.55 -5.00 119.30 117.70 2wri s MET 89 Ca -0.10 -0.46 -0.28 0.00 0.00 0.00 0.00 55.69 54.85 2wri s MET 89 Cb -0.13 -0.93 -0.06 0.00 0.00 0.00 0.00 34.83 33.71 2wri s MET 89 CO -0.00 -1.05 0.88 0.08 0.00 0.00 0.00 175.02 174.92 2wri s VAL 90 N 2.08 4.62 0.22 10.11 1.01 -1.26 -2.94 120.40 134.23 2wri s VAL 90 Ca 0.10 1.88 0.07 0.00 0.00 0.00 0.00 61.98 64.04 2wri s VAL 90 Cb -0.16 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 2wri s VAL 90 CO -0.30 0.33 -0.13 -0.69 0.00 0.00 0.00 175.10 174.31 2wri s VAL 91 N 0.02 1.70 -0.21 2.92 1.01 -1.20 -4.99 120.40 119.66 2wri s VAL 91 Ca 0.43 -2.19 -0.20 0.00 0.00 0.00 0.00 61.98 60.02 2wri s VAL 91 Cb -0.22 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2wri s VAL 91 CO 0.27 -0.54 0.60 -0.75 0.00 0.00 0.00 175.10 174.67 2wri s LYS 92 N -3.66 4.19 -0.03 2.72 2.47 -1.26 -1.77 119.74 122.40 2wri s LYS 92 Ca 0.24 0.55 -0.30 0.00 -1.56 0.00 0.00 55.97 54.90 2wri s LYS 92 Cb 0.00 -3.58 -0.07 0.00 -1.46 0.00 0.00 37.83 32.71 2wri s LYS 92 CO 0.08 -0.24 1.93 -1.12 0.16 0.00 0.00 175.35 176.16 2wri s SER 93 N 1.23 6.34 -0.12 1.43 0.01 -0.93 -4.86 113.70 116.80 2wri s SER 93 Ca 0.27 2.42 -0.01 0.00 1.31 0.00 0.00 55.95 59.94 2wri s SER 93 Cb -0.16 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.52 2wri s SER 93 CO 0.10 -1.18 -0.08 -1.10 0.41 0.00 0.00 173.24 171.40 2wri s GLN 94 N 4.67 3.25 0.20 12.44 -0.21 -1.26 -4.95 119.66 133.80 2wri s GLN 94 Ca 0.87 -0.58 -0.31 0.00 0.02 0.00 0.00 55.36 55.36 2wri s GLN 94 Cb -0.39 -2.71 -0.10 0.00 1.00 0.00 0.00 33.01 30.81 2wri s GLN 94 CO 0.38 0.39 1.51 -1.21 -2.12 0.00 0.00 175.29 174.24 2wri s GLU 95 N -0.07 4.24 0.38 2.91 2.02 -1.26 -4.91 118.70 122.01 2wri s GLU 95 Ca 0.00 2.33 -0.24 0.00 0.02 0.00 0.00 54.97 57.08 2wri s GLU 95 Cb -0.13 -3.14 -0.13 0.00 0.10 0.00 0.00 34.13 30.83 2wri s GLU 95 CO 0.03 -0.53 0.76 -2.30 0.02 0.00 0.00 175.26 173.24 2wri n PRO 96 N 3.31 0.88 -3.77 0.39 -0.02 -1.26 -5.01 135.00 129.51 2wri n PRO 96 Ca 0.11 0.31 -0.27 0.00 -2.02 0.00 0.00 63.50 61.64 2wri n PRO 96 Cb 0.39 -1.67 -0.17 0.00 -0.02 0.00 0.00 33.50 32.04 2wri n PRO 96 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2wri s PHE 97 N -1.30 1.07 0.22 6.00 5.36 -1.26 -5.14 117.98 122.93 2wri s PHE 97 Ca 0.62 -0.75 0.11 0.00 -0.96 0.00 0.00 56.93 55.96 2wri s PHE 97 Cb -0.64 -1.03 -0.05 0.00 -0.34 0.00 0.00 43.02 40.97 2wri s PHE 97 CO 0.58 -0.55 -0.22 -0.48 -1.46 0.00 0.00 175.22 173.09 2wri s LEU 98 N 1.84 2.48 0.32 6.12 0.05 -1.26 -5.14 118.68 123.09 2wri s LEU 98 Ca 0.01 -0.92 0.09 0.00 0.05 0.00 0.00 54.13 53.36 2wri s LEU 98 Cb -0.16 -1.12 -0.05 0.00 -2.05 0.00 0.00 46.19 42.81 2wri s LEU 98 CO -0.07 0.08 -0.02 0.00 -0.55 0.00 0.00 176.35 175.79 2wri s ALA 99 N -1.97 3.13 -1.28 1.48 0.00 -1.26 -4.55 121.76 117.31 2wri s ALA 99 Ca 0.23 -1.90 -0.01 0.00 0.00 0.00 0.00 51.96 50.29 2wri s ALA 99 Cb -0.07 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.62 2wri s ALA 99 CO 0.11 0.13 0.17 0.09 0.00 0.00 0.00 175.76 176.26 2wri n ASN 100 N -0.90 -4.82 0.00 0.00 5.03 -1.26 -5.35 115.26 107.95 2wri n ASN 100 Ca -0.05 -0.09 0.01 0.00 0.87 0.00 0.00 54.58 55.33 2wri n ASN 100 Cb 0.61 -3.85 0.07 0.00 -1.02 0.00 0.00 39.78 35.59 2wri n ASN 100 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43