#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wri n ARG 12 N 0.00 0.55 -3.66 1.97 0.63 -1.26 -5.03 116.66 109.87 2wri n ARG 12 Ca 0.00 0.22 -0.05 0.00 -0.92 0.00 0.00 57.85 57.10 2wri n ARG 12 Cb 0.00 -1.83 -0.07 0.00 0.45 0.00 0.00 32.46 31.01 2wri n ARG 12 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2wri s GLN 13 N -2.36 0.50 0.06 -0.14 -0.21 -1.26 -5.04 119.66 111.21 2wri s GLN 13 Ca 0.70 1.23 0.04 0.00 0.02 0.00 0.00 55.36 57.35 2wri s GLN 13 Cb -0.42 0.51 -0.03 0.00 1.00 0.00 0.00 33.01 34.07 2wri s GLN 13 CO 0.53 -0.20 -0.12 0.14 -2.12 0.00 0.00 175.29 173.52 2wri s VAL 14 N 2.47 0.92 -2.19 1.09 -7.23 -1.26 -5.03 120.40 109.17 2wri s VAL 14 Ca -0.06 -1.26 0.24 0.00 -1.81 0.00 0.00 61.98 59.09 2wri s VAL 14 Cb -0.11 -0.95 0.08 0.00 0.56 0.00 0.00 36.38 35.97 2wri s VAL 14 CO -0.17 -0.30 1.21 0.00 -0.31 0.00 0.00 175.10 175.53 2wri n ALA 15 N 1.28 3.27 -3.71 1.32 0.00 -0.99 -4.23 120.51 117.44 2wri n ALA 15 Ca -0.21 -0.61 -0.35 0.00 0.00 0.00 0.00 53.44 52.26 2wri n ALA 15 Cb 0.55 -0.85 -0.13 0.00 0.00 0.00 0.00 19.45 19.01 2wri n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wri s SER 16 N -2.38 4.97 0.00 0.00 0.15 -1.26 -1.33 113.70 113.85 2wri s SER 16 Ca 0.22 -1.54 0.00 0.00 0.70 0.00 0.00 55.95 55.33 2wri s SER 16 Cb 0.19 -1.73 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 2wri s SER 16 CO 0.51 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.22 2wri n GLY 17 N 4.58 4.53 3.30 9.45 0.00 -0.78 -3.59 105.19 122.69 2wri n GLY 17 Ca -0.09 -1.75 -0.25 0.00 0.00 0.00 0.00 46.02 43.93 2wri n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wri s ARG 18 N -1.24 1.22 -0.24 1.61 0.52 0.30 -1.30 118.95 119.83 2wri s ARG 18 Ca 0.00 -1.17 0.02 0.00 -0.52 0.00 0.00 55.73 54.06 2wri s ARG 18 Cb 0.00 -1.51 0.05 0.00 0.52 0.00 0.00 34.95 34.02 2wri s ARG 18 CO 0.00 0.36 -0.10 0.00 0.02 0.00 0.00 175.30 175.58 2wri s ALA 19 N -1.10 2.29 -0.22 2.13 0.00 0.32 -0.43 121.76 124.75 2wri s ALA 19 Ca 0.08 -1.53 -0.15 0.00 0.00 0.00 0.00 51.96 50.36 2wri s ALA 19 Cb -0.10 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 2wri s ALA 19 CO 0.04 -1.09 0.37 0.71 0.00 0.00 0.00 175.76 175.80 2wri s TYR 20 N 1.24 3.34 -0.21 0.00 1.51 0.24 -1.63 117.35 121.85 2wri s TYR 20 Ca -0.06 0.54 -0.06 0.00 -1.01 0.00 0.00 57.07 56.48 2wri s TYR 20 Cb -0.19 -2.52 -0.03 0.00 -0.11 0.00 0.00 41.96 39.12 2wri s TYR 20 CO -0.06 -0.05 0.04 0.42 -1.11 0.00 0.00 175.55 174.78 2wri s ILE 21 N 1.46 4.27 -0.57 2.71 1.09 0.14 -2.03 121.20 128.27 2wri s ILE 21 Ca 0.17 -0.20 0.04 0.00 -1.10 0.00 0.00 60.65 59.56 2wri s ILE 21 Cb -0.15 -2.95 0.15 0.00 -1.06 0.00 0.00 42.46 38.45 2wri s ILE 21 CO 0.08 0.40 0.35 -2.28 -0.10 0.00 0.00 174.94 173.39 2wri s HIS 22 N 1.07 3.06 -0.31 3.97 2.46 -0.25 0.26 115.29 125.54 2wri s HIS 22 Ca 0.03 -3.09 -0.17 0.00 0.47 0.00 0.00 55.06 52.30 2wri s HIS 22 Cb -0.14 -2.55 -0.02 0.00 -0.13 0.00 0.00 32.58 29.74 2wri s HIS 22 CO 0.02 -0.68 0.47 0.00 -2.47 0.00 0.00 174.74 172.09 2wri s ALA 23 N -0.63 3.52 0.00 1.58 0.00 -1.01 -2.45 121.76 122.76 2wri s ALA 23 Ca 0.21 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.26 2wri s ALA 23 Cb -0.16 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.04 2wri s ALA 23 CO -0.07 -1.00 0.00 -1.13 0.00 0.00 0.00 175.76 173.56 2wri n SER 24 N 5.59 1.18 0.02 0.00 3.41 -0.28 -1.43 113.62 122.10 2wri n SER 24 Ca -0.06 -0.66 0.12 0.00 -0.26 0.00 0.00 58.87 58.02 2wri n SER 24 Cb 0.49 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.70 2wri n SER 24 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2wri n TYR 25 N -0.27 0.15 -0.00 7.33 4.02 -1.26 -3.50 117.16 123.62 2wri n TYR 25 Ca 0.00 0.04 0.01 0.00 -0.01 0.00 0.00 57.90 57.95 2wri n TYR 25 Cb 0.00 -0.38 0.03 0.00 -0.02 0.00 0.00 39.34 38.98 2wri n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2wri n ASN 26 N -1.66 1.96 0.00 7.72 3.02 -1.26 -4.84 115.26 120.19 2wri n ASN 26 Ca 0.05 -1.76 0.00 0.00 -0.03 0.00 0.00 54.58 52.84 2wri n ASN 26 Cb 0.36 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 2wri n ASN 26 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wri n ASN 27 N -0.13 0.00 -4.52 6.41 5.15 -1.26 -3.90 115.26 117.01 2wri n ASN 27 Ca 0.03 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.67 2wri n ASN 27 Cb 0.23 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.36 2wri n ASN 27 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2wri s THR 28 N -1.65 3.42 -0.13 -0.44 2.01 -1.24 -1.12 115.64 116.48 2wri s THR 28 Ca 0.00 -0.58 -0.06 0.00 0.31 0.00 0.00 61.69 61.36 2wri s THR 28 Cb 0.00 -2.39 0.05 0.00 0.01 0.00 0.00 72.50 70.18 2wri s THR 28 CO 0.00 0.59 0.30 -0.51 -0.69 0.00 0.00 174.62 174.30 2wri s ILE 29 N -0.63 -0.10 -0.15 1.82 2.07 -1.03 -1.06 121.20 122.12 2wri s ILE 29 Ca 0.09 0.15 0.02 0.00 -1.41 0.00 0.00 60.65 59.51 2wri s ILE 29 Cb -0.11 -0.46 0.01 0.00 0.13 0.00 0.00 42.46 42.03 2wri s ILE 29 CO 0.01 0.06 -0.21 0.68 -1.91 0.00 0.00 174.94 173.57 2wri s VAL 30 N 1.49 2.04 -0.13 4.00 -7.23 -0.12 -1.09 120.40 119.35 2wri s VAL 30 Ca -0.08 -0.96 0.01 0.00 -1.81 0.00 0.00 61.98 59.14 2wri s VAL 30 Cb -0.10 -1.81 -0.01 0.00 0.56 0.00 0.00 36.38 35.02 2wri s VAL 30 CO -0.10 0.54 -0.15 0.28 -0.31 0.00 0.00 175.10 175.36 2wri s THR 31 N 0.95 2.81 -0.22 5.32 -1.32 -0.86 -0.88 115.64 121.44 2wri s THR 31 Ca -0.04 -0.74 -0.06 0.00 -1.21 0.00 0.00 61.69 59.64 2wri s THR 31 Cb -0.15 -2.17 -0.03 0.00 -1.51 0.00 0.00 72.50 68.65 2wri s THR 31 CO -0.05 0.53 0.03 -0.63 -2.21 0.00 0.00 174.62 172.29 2wri s ILE 32 N 0.46 4.14 0.34 5.08 1.01 -0.76 -0.59 121.20 130.88 2wri s ILE 32 Ca -0.11 -0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.35 2wri s ILE 32 Cb -0.16 -2.89 -0.07 0.00 0.01 0.00 0.00 42.46 39.35 2wri s ILE 32 CO 0.05 0.40 0.04 0.42 0.00 0.00 0.00 174.94 175.85 2wri s THR 33 N 1.18 1.43 0.00 2.92 -4.23 0.42 -0.31 115.64 117.05 2wri s THR 33 Ca 0.04 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 2wri s THR 33 Cb -0.14 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.87 2wri s THR 33 CO 0.02 -0.02 0.00 -0.90 -0.54 0.00 0.00 174.62 173.18 2wri n ASP 34 N -0.75 -0.57 0.17 3.99 3.85 -0.27 0.11 116.55 123.08 2wri n ASP 34 Ca -0.03 -0.26 0.14 0.00 -0.71 0.00 0.00 54.79 53.92 2wri n ASP 34 Cb 0.66 0.00 0.49 0.00 -1.35 0.00 0.00 41.12 40.92 2wri n ASP 34 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.20 175.54 2wri h PRO 35 N 0.00 0.00 -0.30 0.11 0.11 -1.89 -3.11 132.00 126.93 2wri h PRO 35 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wri h PRO 35 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2wri h PRO 35 CO 0.00 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.54 2wri n ASP 36 N -2.55 3.33 0.00 -2.05 10.43 -1.26 -4.94 116.55 119.51 2wri n ASP 36 Ca 0.03 -1.99 0.00 0.00 2.57 0.00 0.00 54.79 55.40 2wri n ASP 36 Cb 0.32 -0.19 0.00 0.00 1.84 0.00 0.00 41.12 43.10 2wri n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wri n GLY 37 N 1.47 0.76 3.66 0.44 0.00 -1.17 -5.04 105.19 105.30 2wri n GLY 37 Ca 0.18 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2wri n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wri s ASN 38 N -2.02 6.58 0.29 1.61 0.01 -1.26 -4.83 114.94 115.32 2wri s ASN 38 Ca 0.00 0.70 -0.28 0.00 -0.71 0.00 0.00 52.86 52.56 2wri s ASN 38 Cb 0.00 -2.30 -0.14 0.00 0.41 0.00 0.00 41.25 39.22 2wri s ASN 38 CO 0.00 -0.21 1.08 -2.65 -1.51 0.00 0.00 177.10 173.81 2wri n PRO 39 N 4.91 1.52 -0.05 -0.60 -0.02 -1.26 -1.11 135.00 138.38 2wri n PRO 39 Ca -0.04 0.53 -0.10 0.00 -2.02 0.00 0.00 63.50 61.87 2wri n PRO 39 Cb 0.50 -1.96 -0.04 0.00 -0.02 0.00 0.00 33.50 31.99 2wri n PRO 39 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wri n ILE 40 N 0.33 0.57 -3.64 4.25 2.08 0.58 -4.81 119.36 118.72 2wri n ILE 40 Ca 0.09 -0.17 -0.05 0.00 0.56 0.00 0.00 62.75 63.18 2wri n ILE 40 Cb 0.32 -1.40 -0.07 0.00 -0.75 0.00 0.00 39.64 37.75 2wri n ILE 40 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2wri s THR 41 N -2.19 0.00 0.36 1.39 -1.32 -1.05 -5.05 115.64 107.77 2wri s THR 41 Ca -0.14 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.41 2wri s THR 41 Cb 0.05 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.97 2wri s THR 41 CO 0.20 0.00 -0.02 -1.66 -2.21 0.00 0.00 174.62 170.93 2wri s TRP 42 N 0.58 2.31 0.11 9.09 1.48 -1.26 -1.83 118.94 129.42 2wri s TRP 42 Ca -0.00 -0.68 -0.25 0.00 -1.06 0.00 0.00 56.10 54.11 2wri s TRP 42 Cb -0.04 -1.50 0.08 0.00 -1.16 0.00 0.00 33.47 30.84 2wri s TRP 42 CO -0.11 0.38 0.66 0.45 -4.06 0.00 0.00 176.95 174.28 2wri s SER 43 N -3.61 -0.53 0.25 -2.66 0.15 -0.05 -4.88 113.70 102.36 2wri s SER 43 Ca 0.34 0.05 -0.21 0.00 0.70 0.00 0.00 55.95 56.82 2wri s SER 43 Cb 0.07 0.55 0.03 0.00 -1.71 0.00 0.00 66.02 64.97 2wri s SER 43 CO 0.16 -0.88 0.68 -0.94 1.20 0.00 0.00 173.24 173.47 2wri s SER 44 N -2.59 -0.34 0.48 5.45 1.04 -1.26 -0.95 113.70 115.53 2wri s SER 44 Ca 0.01 -0.44 0.35 0.00 0.48 0.00 0.00 55.95 56.35 2wri s SER 44 Cb -0.01 0.69 1.49 0.00 0.10 0.00 0.00 66.02 68.29 2wri s SER 44 CO -0.11 -1.24 1.66 1.23 0.98 0.00 0.00 173.24 175.76 2wri h GLY 45 N 2.00 0.76 1.73 7.32 0.00 -1.35 0.39 103.07 113.93 2wri h GLY 45 Ca -0.23 -0.08 -0.23 0.00 0.00 0.00 0.00 47.33 46.79 2wri h GLY 45 CO 0.27 -0.21 -1.02 -1.33 0.00 0.00 0.00 176.54 174.25 2wri h GLY 46 N 0.08 0.25 0.72 4.60 0.00 -1.84 -3.28 103.07 103.61 2wri h GLY 46 Ca 0.78 -0.53 0.10 0.00 0.00 0.00 0.00 47.33 47.69 2wri h GLY 46 CO -0.24 0.46 0.57 -2.08 0.00 0.00 0.00 176.54 175.26 2wri h VAL 47 N 0.10 0.96 -3.68 4.60 2.07 -0.49 -3.41 116.25 116.40 2wri h VAL 47 Ca -0.07 -0.30 -0.45 0.00 0.82 0.00 0.00 66.70 66.70 2wri h VAL 47 Cb 1.70 0.02 0.13 0.00 -1.52 0.00 0.00 31.29 31.63 2wri h VAL 47 CO 0.16 0.16 0.34 -0.63 0.02 0.00 0.00 177.57 177.62 2wri s ILE 48 N -5.79 2.05 0.20 4.57 -1.09 -1.18 -4.97 121.20 114.99 2wri s ILE 48 Ca -0.11 -0.15 -0.22 0.00 -2.23 0.00 0.00 60.65 57.94 2wri s ILE 48 Cb 0.21 -2.91 0.13 0.00 -1.58 0.00 0.00 42.46 38.31 2wri s ILE 48 CO 0.79 0.00 1.55 1.23 -1.23 0.00 0.00 174.94 177.28 2wri h GLY 49 N -1.27 -0.26 -4.90 6.18 0.00 -1.82 -3.44 103.07 97.57 2wri h GLY 49 Ca -0.43 0.61 -0.65 0.00 0.00 0.00 0.00 47.33 46.86 2wri h GLY 49 CO 0.43 -0.12 -0.26 -1.72 0.00 0.00 0.00 176.54 174.88 2wri n TYR 50 N -5.40 -0.02 -3.85 5.60 0.53 -1.26 -5.00 117.16 107.77 2wri n TYR 50 Ca 0.07 0.91 -0.12 0.00 -1.02 0.00 0.00 57.90 57.74 2wri n TYR 50 Cb 0.35 -1.82 -0.12 0.00 -1.03 0.00 0.00 39.34 36.72 2wri n TYR 50 CO 0.00 0.00 0.00 0.21 -1.02 0.00 0.00 176.86 176.05 2wri s LYS 51 N -0.53 0.26 3.61 -0.72 2.20 -1.26 -4.27 119.74 119.02 2wri s LYS 51 Ca 0.68 -0.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.27 2wri s LYS 51 Cb -0.97 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 35.47 2wri s LYS 51 CO 0.51 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.86 2wri n GLY 52 N 2.49 0.56 0.23 5.54 0.00 -1.26 -3.99 105.19 108.75 2wri n GLY 52 Ca -0.16 -0.99 0.11 0.00 0.00 0.00 0.00 46.02 44.98 2wri n GLY 52 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wri h SER 53 N 0.82 0.00 1.74 1.61 4.64 -1.99 -3.07 113.55 117.30 2wri h SER 53 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2wri h SER 53 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2wri h SER 53 CO 0.00 0.19 -0.26 0.03 -0.87 0.00 0.00 176.83 175.92 2wri h ARG 54 N 0.00 0.00 0.00 4.77 3.08 -1.94 -3.22 114.38 117.07 2wri h ARG 54 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wri h ARG 54 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2wri h ARG 54 CO 0.02 0.20 0.14 1.63 -1.07 0.00 0.00 179.97 180.90 2wri n LYS 55 N -3.13 0.07 -0.08 0.04 5.02 -1.16 -2.38 118.16 116.54 2wri n LYS 55 Ca 0.03 0.51 -0.11 0.00 -2.02 0.00 0.00 58.31 56.72 2wri n LYS 55 Cb 0.62 -1.86 -0.07 0.00 -0.02 0.00 0.00 35.03 33.69 2wri n LYS 55 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2wri h GLY 56 N 0.00 0.00 -1.32 0.72 0.00 -1.67 -3.31 103.07 97.49 2wri h GLY 56 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 2wri h GLY 56 CO 0.00 0.00 -0.14 -0.37 0.00 0.00 0.00 176.54 176.03 2wri n THR 57 N -4.58 0.53 -0.31 4.70 5.66 -1.00 -3.99 114.28 115.28 2wri n THR 57 Ca -0.15 -0.13 0.06 0.00 -3.05 0.00 0.00 64.05 60.77 2wri n THR 57 Cb 0.40 0.00 0.21 0.00 -1.55 0.00 0.00 70.33 69.39 2wri n THR 57 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2wri h PRO 58 N 0.26 0.77 -0.48 1.09 0.13 -1.87 -1.35 132.00 130.54 2wri h PRO 58 Ca -0.07 -0.05 0.08 0.00 -0.87 0.00 0.00 66.00 65.09 2wri h PRO 58 Cb 0.38 -0.17 -0.10 0.00 0.13 0.00 0.00 31.00 31.24 2wri h PRO 58 CO 0.15 0.51 -0.40 -0.92 -0.23 0.00 0.00 178.00 177.11 2wri h TYR 59 N 0.79 -1.15 -0.21 1.56 3.20 -1.94 -1.57 116.97 117.65 2wri h TYR 59 Ca 0.45 0.07 0.04 0.00 3.14 0.00 0.00 58.73 62.43 2wri h TYR 59 Cb 0.51 0.57 -0.07 0.00 1.54 0.00 0.00 36.73 39.28 2wri h TYR 59 CO -0.05 -0.42 -0.50 0.00 -1.64 0.00 0.00 178.16 175.55 2wri h ALA 60 N 0.62 -0.73 -0.95 1.82 0.00 -1.54 -0.45 119.26 118.03 2wri h ALA 60 Ca 0.17 -0.02 0.24 0.00 0.00 0.00 0.00 54.91 55.30 2wri h ALA 60 Cb 0.57 0.95 -0.18 0.00 0.00 0.00 0.00 17.79 19.13 2wri h ALA 60 CO -0.62 -1.01 -0.04 0.00 0.00 0.00 0.00 179.25 177.58 2wri h ALA 61 N -0.04 0.99 -0.80 0.00 0.00 -1.16 0.15 119.26 118.40 2wri h ALA 61 Ca 0.07 0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2wri h ALA 61 Cb 0.64 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2wri h ALA 61 CO -0.47 -0.50 0.00 0.94 0.00 0.00 0.00 179.25 179.22 2wri n GLN 62 N -5.50 0.00 0.20 0.00 7.27 -0.19 0.28 117.38 119.44 2wri n GLN 62 Ca 0.20 0.71 0.17 0.00 0.07 0.00 0.00 57.00 58.15 2wri n GLN 62 Cb 0.65 -1.37 0.73 0.00 2.41 0.00 0.00 30.24 32.67 2wri n GLN 62 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2wri h LEU 63 N 0.00 0.00 0.00 1.69 3.38 -1.05 0.65 115.31 119.98 2wri h LEU 63 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wri h LEU 63 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wri h LEU 63 CO 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 178.44 178.25 2wri h ALA 64 N 1.32 0.85 0.06 1.53 0.00 0.20 -2.00 119.26 121.22 2wri h ALA 64 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.68 2wri h ALA 64 Cb 1.01 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2wri h ALA 64 CO -0.00 0.00 -1.98 0.00 0.00 0.00 0.00 179.25 177.26 2wri n ALA 65 N -2.04 1.21 -0.03 0.00 0.00 0.22 -3.52 120.51 116.34 2wri n ALA 65 Ca 0.03 -0.77 -0.15 0.00 0.00 0.00 0.00 53.44 52.55 2wri n ALA 65 Cb 0.51 -0.63 -0.10 0.00 0.00 0.00 0.00 19.45 19.22 2wri n ALA 65 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wri h LEU 66 N 0.03 0.28 -0.92 0.00 3.38 -1.31 0.10 115.31 116.87 2wri h LEU 66 Ca -0.40 -0.69 0.14 0.00 0.09 0.00 0.00 57.88 57.02 2wri h LEU 66 Cb 2.03 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 42.61 2wri h LEU 66 CO 0.06 0.92 0.53 -0.78 0.09 0.00 0.00 178.44 179.26 2wri h ASP 67 N -0.34 0.71 0.79 -0.43 1.82 -1.55 0.58 116.42 118.00 2wri h ASP 67 Ca -0.02 0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.66 2wri h ASP 67 Cb 0.93 -0.05 0.01 0.00 0.68 0.00 0.00 39.33 40.89 2wri h ASP 67 CO 0.05 0.33 -0.40 0.00 -1.61 0.00 0.00 179.24 177.61 2wri h ALA 68 N 1.56 -1.10 0.04 -0.78 0.00 -1.54 -0.61 119.26 116.83 2wri h ALA 68 Ca 0.49 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.19 2wri h ALA 68 Cb 0.62 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2wri h ALA 68 CO -0.32 -1.12 -0.30 0.00 0.00 0.00 0.00 179.25 177.51 2wri h ALA 69 N -0.89 -0.45 -0.30 0.00 0.00 0.54 -0.08 119.26 118.07 2wri h ALA 69 Ca -0.11 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2wri h ALA 69 Cb 0.85 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 2wri h ALA 69 CO 0.16 -0.82 -0.55 -0.22 0.00 0.00 0.00 179.25 177.82 2wri h LYS 70 N -0.47 -0.46 -0.69 0.00 3.64 0.19 0.46 116.57 119.24 2wri h LYS 70 Ca 0.05 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.61 2wri h LYS 70 Cb 0.54 0.10 -0.13 0.00 -0.41 0.00 0.00 32.23 32.33 2wri h LYS 70 CO -0.23 -0.30 -0.09 0.87 -2.27 0.00 0.00 179.45 177.43 2wri h LYS 71 N -0.47 0.04 -0.28 1.90 1.57 -0.68 -1.44 116.57 117.21 2wri h LYS 71 Ca 0.06 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2wri h LYS 71 Cb 0.63 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2wri h LYS 71 CO -0.53 0.03 0.12 0.00 -0.57 0.00 0.00 179.45 178.50 2wri h ALA 72 N 1.67 0.36 -0.87 3.86 0.00 0.95 -2.81 119.26 122.42 2wri h ALA 72 Ca 0.35 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.22 2wri h ALA 72 Cb 0.57 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 2wri h ALA 72 CO -0.66 -0.06 0.53 0.52 0.00 0.00 0.00 179.25 179.59 2wri h MET 73 N 0.30 0.92 0.00 0.00 2.86 0.76 0.97 114.93 120.75 2wri h MET 73 Ca 0.09 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2wri h MET 73 Cb 0.16 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.61 2wri h MET 73 CO -0.01 0.61 0.19 0.00 1.06 0.00 0.00 176.91 178.76 2wri h ALA 74 N 1.43 1.18 -0.73 6.32 0.00 -1.03 1.19 119.26 127.61 2wri h ALA 74 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2wri h ALA 74 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2wri h ALA 74 CO -0.20 -0.18 0.00 0.66 0.00 0.00 0.00 179.25 179.54 2wri n TYR 75 N -2.71 1.04 -1.49 0.00 4.02 0.33 -4.95 117.16 113.40 2wri n TYR 75 Ca -0.02 -0.51 0.00 0.00 -0.01 0.00 0.00 57.90 57.36 2wri n TYR 75 Cb 0.24 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 2wri n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wri n GLY 76 N 1.61 0.90 3.72 2.72 0.00 0.41 -4.10 105.19 110.45 2wri n GLY 76 Ca 0.25 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 2wri n GLY 76 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wri s MET 77 N -3.00 2.52 0.36 1.61 0.00 -1.18 -2.36 119.30 117.26 2wri s MET 77 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 55.69 54.37 2wri s MET 77 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 34.83 32.53 2wri s MET 77 CO 0.00 0.33 0.00 1.04 0.00 0.00 0.00 175.02 176.39 2wri n GLN 78 N -1.04 0.00 -4.80 4.11 6.02 -0.44 -4.69 117.38 116.54 2wri n GLN 78 Ca -0.06 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.60 2wri n GLN 78 Cb 0.59 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.72 2wri n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2wri s SER 79 N -3.43 4.15 0.01 1.08 1.04 -1.07 0.07 113.70 115.54 2wri s SER 79 Ca 0.00 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.24 2wri s SER 79 Cb 0.00 -1.16 -0.01 0.00 0.10 0.00 0.00 66.02 64.95 2wri s SER 79 CO 0.00 0.29 -0.05 0.68 0.98 0.00 0.00 173.24 175.14 2wri s VAL 80 N -0.38 0.35 -0.16 5.02 -7.23 0.32 -1.86 120.40 116.46 2wri s VAL 80 Ca 0.04 -0.47 -0.15 0.00 -1.81 0.00 0.00 61.98 59.60 2wri s VAL 80 Cb -0.12 -0.35 -0.04 0.00 0.56 0.00 0.00 36.38 36.42 2wri s VAL 80 CO 0.02 -0.08 0.36 -1.81 -0.31 0.00 0.00 175.10 173.28 2wri s ASP 81 N -0.59 6.48 -0.03 4.85 1.11 -0.42 -1.86 116.67 126.21 2wri s ASP 81 Ca -0.03 0.57 -0.15 0.00 0.18 0.00 0.00 52.55 53.11 2wri s ASP 81 Cb -0.04 -2.22 -0.05 0.00 1.07 0.00 0.00 42.92 41.68 2wri s ASP 81 CO -0.00 0.03 0.42 -0.69 1.18 0.00 0.00 175.17 176.11 2wri s VAL 82 N 0.73 5.06 -0.07 -1.27 1.01 0.30 -0.53 120.40 125.64 2wri s VAL 82 Ca 0.19 0.85 -0.01 0.00 0.00 0.00 0.00 61.98 63.01 2wri s VAL 82 Cb -0.14 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.54 2wri s VAL 82 CO 0.06 0.53 -0.01 -0.63 0.00 0.00 0.00 175.10 175.05 2wri s ILE 83 N -0.71 0.42 -0.05 2.22 1.01 -0.64 -0.90 121.20 122.55 2wri s ILE 83 Ca 0.24 0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.97 2wri s ILE 83 Cb -0.16 -0.56 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 2wri s ILE 83 CO 0.12 0.26 -0.05 0.68 0.00 0.00 0.00 174.94 175.96 2wri s VAL 84 N 1.82 3.86 -0.24 2.92 -7.23 0.15 0.28 120.40 121.97 2wri s VAL 84 Ca 0.03 -0.49 -0.04 0.00 -1.81 0.00 0.00 61.98 59.66 2wri s VAL 84 Cb -0.13 -2.62 0.08 0.00 0.56 0.00 0.00 36.38 34.28 2wri s VAL 84 CO -0.05 0.54 0.12 -0.13 -0.31 0.00 0.00 175.10 175.27 2wri s ARG 85 N -1.00 0.13 0.00 4.82 0.52 0.14 -0.81 118.95 122.76 2wri s ARG 85 Ca 0.14 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 2wri s ARG 85 Cb -0.11 -1.45 0.00 0.00 0.52 0.00 0.00 34.95 33.91 2wri s ARG 85 CO 0.03 -0.86 0.00 0.41 0.02 0.00 0.00 175.30 174.90 2wri n GLY 86 N 5.27 0.82 0.00 -3.53 0.00 -1.26 -2.42 105.19 104.07 2wri n GLY 86 Ca -0.06 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.04 2wri n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wri n THR 87 N -0.80 0.57 -0.82 2.61 -1.04 -0.86 -4.87 114.28 109.07 2wri n THR 87 Ca 0.00 -0.59 -0.26 0.00 -2.04 0.00 0.00 64.05 61.16 2wri n THR 87 Cb 0.00 0.74 0.00 0.00 -1.82 0.00 0.00 70.33 69.25 2wri n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wri n GLY 88 N -0.29 -1.98 0.00 3.41 0.00 -0.52 -4.82 105.19 100.99 2wri n GLY 88 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2wri n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wri n ALA 89 N -0.88 -0.41 -0.41 4.61 0.00 -1.25 -2.54 120.51 119.64 2wri n ALA 89 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.47 2wri n ALA 89 Cb 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.70 2wri n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wri n GLY 90 N -0.91 1.87 0.15 0.00 0.00 -1.26 -4.03 105.19 101.01 2wri n GLY 90 Ca 0.00 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.79 2wri n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wri h ARG 91 N 3.05 0.00 0.06 1.61 2.43 -1.81 -3.25 114.38 116.48 2wri h ARG 91 Ca 0.04 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.02 2wri h ARG 91 Cb 0.70 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 2wri h ARG 91 CO 0.14 0.29 -0.99 1.49 -1.51 0.00 0.00 179.97 179.38 2wri h GLU 92 N 0.00 0.13 -0.98 0.20 4.57 -1.84 -3.33 114.58 113.34 2wri h GLU 92 Ca -0.03 -0.23 0.24 0.00 -1.18 0.00 0.00 59.36 58.16 2wri h GLU 92 Cb 1.28 0.08 -0.12 0.00 -0.16 0.00 0.00 28.75 29.83 2wri h GLU 92 CO 0.04 1.11 0.55 1.96 -1.18 0.00 0.00 179.01 181.49 2wri h GLN 93 N -0.64 0.54 0.00 1.92 1.08 -1.88 -0.02 115.11 116.11 2wri h GLN 93 Ca -0.23 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 2wri h GLN 93 Cb 1.46 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 2wri h GLN 93 CO -0.01 0.36 0.00 0.00 -0.95 0.00 0.00 178.83 178.22 2wri n ALA 94 N -2.35 -0.21 -0.27 3.87 0.00 -1.22 -0.67 120.51 119.66 2wri n ALA 94 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2wri n ALA 94 Cb 0.71 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.45 2wri n ALA 94 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wri n ILE 95 N -2.57 0.00 -0.34 0.00 5.41 -0.17 -1.48 119.36 120.22 2wri n ILE 95 Ca 0.00 1.37 0.14 0.00 1.00 0.00 0.00 62.75 65.25 2wri n ILE 95 Cb 0.00 -2.01 0.27 0.00 -0.71 0.00 0.00 39.64 37.20 2wri n ILE 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2wri n ARG 96 N -2.22 -0.08 -0.06 0.38 1.74 -0.35 0.64 116.66 116.70 2wri n ARG 96 Ca 0.00 1.47 -0.09 0.00 -0.77 0.00 0.00 57.85 58.47 2wri n ARG 96 Cb 0.00 -2.33 -0.02 0.00 -1.02 0.00 0.00 32.46 29.09 2wri n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wri h ALA 97 N 1.96 0.29 -0.98 7.54 0.00 -0.32 -1.70 119.26 126.04 2wri h ALA 97 Ca 0.58 0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.67 2wri h ALA 97 Cb 1.18 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 2wri h ALA 97 CO -0.93 -0.30 0.61 -0.07 0.00 0.00 0.00 179.25 178.56 2wri h LEU 98 N 0.23 0.77 0.00 0.00 3.38 0.13 -2.82 115.31 117.01 2wri h LEU 98 Ca 0.10 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2wri h LEU 98 Cb 0.05 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2wri h LEU 98 CO -0.09 0.34 0.00 0.00 0.09 0.00 0.00 178.44 178.78 2wri n GLN 99 N -4.66 0.00 -1.61 1.13 6.02 -0.67 -3.44 117.38 114.15 2wri n GLN 99 Ca 0.21 0.46 -0.40 0.00 -0.01 0.00 0.00 57.00 57.26 2wri n GLN 99 Cb 0.50 -1.44 -0.04 0.00 1.02 0.00 0.00 30.24 30.28 2wri n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wri n ALA 100 N -1.85 3.40 -0.50 -1.58 0.00 -1.03 -3.68 120.51 115.28 2wri n ALA 100 Ca 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 53.44 50.03 2wri n ALA 100 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 15.87 2wri n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wri n SER 101 N 8.88 0.00 0.00 0.00 3.41 -1.22 -4.88 113.62 119.81 2wri n SER 101 Ca 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 2wri n SER 101 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2wri n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wri n GLY 102 N 0.00 1.25 3.82 5.00 0.00 -1.24 -4.92 105.19 109.10 2wri n GLY 102 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2wri n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wri s LEU 103 N 0.00 3.77 -0.32 0.99 2.01 -1.26 -4.97 118.68 118.90 2wri s LEU 103 Ca 0.00 1.71 -0.08 0.00 0.01 0.00 0.00 54.13 55.77 2wri s LEU 103 Cb 0.00 -4.53 0.01 0.00 0.01 0.00 0.00 46.19 41.68 2wri s LEU 103 CO 0.00 -0.61 0.12 -1.58 1.01 0.00 0.00 176.35 175.29 2wri s GLN 104 N -3.58 3.05 -0.55 1.70 0.74 0.11 -4.77 119.66 116.36 2wri s GLN 104 Ca 0.62 -0.90 -0.25 0.00 0.05 0.00 0.00 55.36 54.88 2wri s GLN 104 Cb -0.12 -3.48 0.04 0.00 1.10 0.00 0.00 33.01 30.55 2wri s GLN 104 CO 0.23 -0.50 0.99 0.14 -0.55 0.00 0.00 175.29 175.60 2wri s VAL 105 N 1.52 4.31 0.04 1.34 -7.23 -1.26 -0.52 120.40 118.61 2wri s VAL 105 Ca 0.02 0.44 0.18 0.00 -1.81 0.00 0.00 61.98 60.82 2wri s VAL 105 Cb -0.18 -4.57 0.12 0.00 0.56 0.00 0.00 36.38 32.31 2wri s VAL 105 CO 0.04 -1.15 1.64 0.11 -0.31 0.00 0.00 175.10 175.43 2wri h LYS 106 N 9.35 0.00 -1.15 4.82 1.57 -1.75 -3.47 116.57 125.94 2wri h LYS 106 Ca -0.26 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.70 2wri h LYS 106 Cb 1.07 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.06 2wri h LYS 106 CO 1.11 0.40 0.78 -1.54 -0.57 0.00 0.00 179.45 179.62 2wri s SER 107 N -6.40 -0.12 -0.12 0.86 1.04 -1.26 -5.00 113.70 102.69 2wri s SER 107 Ca 0.02 0.22 -0.06 0.00 0.48 0.00 0.00 55.95 56.60 2wri s SER 107 Cb 0.10 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 2wri s SER 107 CO 0.70 -0.04 0.11 -0.63 0.98 0.00 0.00 173.24 174.36 2wri s ILE 108 N 0.39 5.21 -0.04 -1.02 1.09 -1.25 0.11 121.20 125.69 2wri s ILE 108 Ca 0.02 0.10 -0.02 0.00 -1.10 0.00 0.00 60.65 59.65 2wri s ILE 108 Cb -0.04 -3.27 0.03 0.00 -1.06 0.00 0.00 42.46 38.12 2wri s ILE 108 CO -0.13 0.59 0.09 -0.69 -0.10 0.00 0.00 174.94 174.70 2wri s VAL 109 N -0.81 -0.04 -0.56 2.92 1.01 -0.07 -4.96 120.40 117.89 2wri s VAL 109 Ca 0.13 0.16 -0.20 0.00 0.00 0.00 0.00 61.98 62.07 2wri s VAL 109 Cb -0.12 -0.15 0.07 0.00 0.00 0.00 0.00 36.38 36.18 2wri s VAL 109 CO 0.03 0.07 0.73 -0.62 0.00 0.00 0.00 175.10 175.30 2wri s ASP 110 N 0.91 6.22 -0.69 3.32 2.15 -1.26 0.34 116.67 127.66 2wri s ASP 110 Ca -0.07 -1.01 0.04 0.00 0.43 0.00 0.00 52.55 51.94 2wri s ASP 110 Cb -0.10 -2.33 0.33 0.00 -0.30 0.00 0.00 42.92 40.53 2wri s ASP 110 CO -0.04 -1.07 1.15 -0.67 -0.17 0.00 0.00 175.17 174.38 2wri n ASP 111 N 6.57 5.15 -4.72 -0.34 4.64 0.01 -4.96 116.55 122.90 2wri n ASP 111 Ca -0.06 -3.68 -0.41 0.00 -1.38 0.00 0.00 54.79 49.25 2wri n ASP 111 Cb 0.45 -0.71 -0.04 0.00 -1.04 0.00 0.00 41.12 39.78 2wri n ASP 111 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 2wri s THR 112 N -4.39 4.82 -0.33 5.18 2.01 -1.25 -4.63 115.64 117.04 2wri s THR 112 Ca 0.46 1.96 -0.29 0.00 0.31 0.00 0.00 61.69 64.13 2wri s THR 112 Cb 0.25 -4.27 -0.00 0.00 0.01 0.00 0.00 72.50 68.49 2wri s THR 112 CO -0.13 0.21 1.41 -2.16 -0.69 0.00 0.00 174.62 173.26 2wri s PRO 113 N 0.73 3.74 -0.11 4.92 0.04 -1.26 -4.98 135.00 138.08 2wri s PRO 113 Ca 0.48 1.20 0.02 0.00 0.04 0.00 0.00 61.00 62.74 2wri s PRO 113 Cb -0.21 -3.97 0.02 0.00 0.04 0.00 0.00 34.50 30.37 2wri s PRO 113 CO 0.27 -1.35 -0.14 0.54 0.04 0.00 0.00 177.00 176.35 2wri s VAL 114 N 5.01 1.43 0.51 -0.36 0.11 -1.26 -5.12 120.40 120.73 2wri s VAL 114 Ca 0.61 -0.60 -0.16 0.00 -2.93 0.00 0.00 61.98 58.91 2wri s VAL 114 Cb -0.17 -1.32 -0.08 0.00 -1.53 0.00 0.00 36.38 33.29 2wri s VAL 114 CO 0.28 0.43 0.97 -2.16 -3.33 0.00 0.00 175.10 171.29 2wri s PRO 115 N 1.03 3.91 -0.51 1.54 0.04 -1.26 -4.93 135.00 134.82 2wri s PRO 115 Ca -0.06 0.90 -0.04 0.00 0.04 0.00 0.00 61.00 61.85 2wri s PRO 115 Cb -0.15 -2.15 0.10 0.00 0.04 0.00 0.00 34.50 32.34 2wri s PRO 115 CO -0.02 -0.27 2.68 0.72 0.04 0.00 0.00 177.00 180.15 2wri n HIS 116 N -1.63 1.77 -1.81 0.56 8.25 -1.26 -4.64 115.22 116.46 2wri n HIS 116 Ca 0.06 -2.00 -0.02 0.00 -0.26 0.00 0.00 57.72 55.51 2wri n HIS 116 Cb 0.54 -1.36 0.00 0.00 1.12 0.00 0.00 29.99 30.29 2wri n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2wri n ASN 117 N 0.72 -3.37 0.00 0.41 5.03 -1.26 -5.10 115.26 111.69 2wri n ASN 117 Ca 0.50 0.12 0.00 0.00 0.87 0.00 0.00 54.58 56.07 2wri n ASN 117 Cb 0.51 -2.01 0.00 0.00 -1.02 0.00 0.00 39.78 37.26 2wri n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wri n GLY 118 N -0.47 0.33 3.97 7.41 0.00 -1.26 -5.06 105.19 110.11 2wri n GLY 118 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 2wri n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wri s ARG 120 N -4.81 4.41 0.66 0.00 3.52 -1.26 -5.06 118.95 116.41 2wri s ARG 120 Ca 0.58 1.05 -0.07 0.00 -0.13 0.00 0.00 55.73 57.16 2wri s ARG 120 Cb -0.10 -2.96 0.03 0.00 -1.56 0.00 0.00 34.95 30.36 2wri s ARG 120 CO 0.39 0.42 0.98 -2.14 -0.81 0.00 0.00 175.30 174.14 2wri s PRO 121 N -1.77 2.57 -0.27 5.12 0.02 -1.26 -5.01 135.00 134.39 2wri s PRO 121 Ca 0.43 -0.04 -0.29 0.00 0.02 0.00 0.00 61.00 61.11 2wri s PRO 121 Cb -0.19 -2.18 0.00 0.00 0.02 0.00 0.00 34.50 32.15 2wri s PRO 121 CO 0.23 -1.00 1.26 0.15 -0.33 0.00 0.00 177.00 177.31 2wri s LYS 122 N -5.17 4.00 0.00 5.54 1.02 -1.26 -4.66 119.74 119.21 2wri s LYS 122 Ca 0.57 1.31 0.00 0.00 0.02 0.00 0.00 55.97 57.88 2wri s LYS 122 Cb -0.11 -3.84 0.00 0.00 -0.52 0.00 0.00 37.83 33.37 2wri s LYS 122 CO 0.46 -1.01 0.00 1.17 -0.92 0.00 0.00 175.35 175.05 2wri n LYS 123 N 7.11 0.00 -0.15 1.68 4.81 -1.26 0.53 118.16 130.87 2wri n LYS 123 Ca 0.14 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.51 2wri n LYS 123 Cb 0.46 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.50 2wri n LYS 123 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2wri h LYS 124 N 0.00 -0.23 0.00 1.64 3.64 -2.02 -0.82 116.57 118.79 2wri h LYS 124 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2wri h LYS 124 Cb 0.00 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2wri h LYS 124 CO 0.00 -0.15 -0.45 0.74 -2.27 0.00 0.00 179.45 177.32 2wri h PHE 125 N -0.24 0.00 -0.02 1.91 -1.00 -0.28 -3.33 116.94 113.98 2wri h PHE 125 Ca 0.18 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.77 2wri h PHE 125 Cb 0.55 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.10 2wri h PHE 125 CO -0.59 0.00 -0.82 -0.09 -1.61 0.00 0.00 178.31 175.20 2wri h ARG 126 N 0.00 0.27 0.00 1.51 2.43 -1.14 -3.40 114.38 114.05 2wri h ARG 126 Ca 0.00 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 2wri h ARG 126 Cb 0.93 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2wri h ARG 126 CO 0.00 0.95 0.00 1.63 -1.51 0.00 0.00 179.97 181.04 2wri n LYS 127 N -3.73 0.00 -3.08 0.20 4.76 -0.41 -3.90 118.16 112.00 2wri n LYS 127 Ca -0.04 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.00 2wri n LYS 127 Cb 0.77 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.90 2wri n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wri s ALA 128 N -0.08 3.50 -2.76 7.82 0.00 -1.26 -5.16 121.76 123.82 2wri s ALA 128 Ca 0.00 -0.14 0.26 0.00 0.00 0.00 0.00 51.96 52.08 2wri s ALA 128 Cb 0.00 -2.99 0.61 0.00 0.00 0.00 0.00 23.12 20.73 2wri s ALA 128 CO 0.00 -0.45 1.50 0.45 0.00 0.00 0.00 175.76 177.25