#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xrg s SER -9 N 0.00 7.39 -0.21 2.61 0.15 -1.26 -4.95 113.70 117.44 1xrg s SER -9 Ca 0.00 2.07 0.13 0.00 0.70 0.00 0.00 55.95 58.85 1xrg s SER -9 Cb 0.00 -2.61 0.42 0.00 -1.71 0.00 0.00 66.02 62.12 1xrg s SER -9 CO 0.00 -0.08 1.28 0.35 1.20 0.00 0.00 173.24 175.99 1xrg n THR -8 N 1.85 2.23 0.11 6.45 -2.24 -1.26 -4.72 114.28 116.69 1xrg n THR -8 Ca 0.00 -2.82 0.10 0.00 -2.27 0.00 0.00 64.05 59.07 1xrg n THR -8 Cb 0.46 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1xrg n THR -8 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1xrg h SER -7 N 0.84 0.00 -3.37 3.42 4.64 -1.93 -3.42 113.55 113.73 1xrg h SER -7 Ca 0.05 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.85 1xrg h SER -7 Cb 1.19 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.33 1xrg h SER -7 CO 0.11 0.07 0.74 -0.76 -0.87 0.00 0.00 176.83 176.11 1xrg s LEU -6 N -5.49 4.39 0.19 5.97 1.43 -1.26 -5.03 118.68 118.88 1xrg s LEU -6 Ca -0.00 2.60 0.00 0.00 -1.03 0.00 0.00 54.13 55.70 1xrg s LEU -6 Cb 0.09 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 1xrg s LEU -6 CO 0.78 -0.66 0.08 -0.72 0.23 0.00 0.00 176.35 176.06 1xrg s TYR -5 N 0.05 1.17 0.05 0.29 -0.85 -1.26 -4.07 117.35 112.73 1xrg s TYR -5 Ca 0.59 -1.23 0.07 0.00 -0.52 0.00 0.00 57.07 55.99 1xrg s TYR -5 Cb -0.41 -0.64 -0.03 0.00 0.38 0.00 0.00 41.96 41.26 1xrg s TYR -5 CO 0.42 -0.46 -0.19 0.15 -1.52 0.00 0.00 175.55 173.95 1xrg s LYS -4 N -4.06 2.02 -0.12 -3.49 1.02 -0.64 -4.98 119.74 109.50 1xrg s LYS -4 Ca 0.32 -1.01 -0.01 0.00 0.02 0.00 0.00 55.97 55.28 1xrg s LYS -4 Cb 0.07 -2.16 -0.03 0.00 -0.52 0.00 0.00 37.83 35.20 1xrg s LYS -4 CO 0.08 0.53 -0.06 0.21 -0.92 0.00 0.00 175.35 175.19 1xrg s LYS -3 N -1.47 3.28 -0.33 1.68 2.20 -1.26 -0.20 119.74 123.65 1xrg s LYS -3 Ca 0.14 -0.56 -0.01 0.00 -0.36 0.00 0.00 55.97 55.19 1xrg s LYS -3 Cb -0.10 -2.75 0.11 0.00 -1.51 0.00 0.00 37.83 33.58 1xrg s LYS -3 CO 0.05 0.40 0.13 0.00 -0.36 0.00 0.00 175.35 175.57 1xrg s ALA -2 N -0.08 1.37 0.00 3.13 0.00 -1.26 -5.00 121.76 119.92 1xrg s ALA -2 Ca 0.01 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.28 1xrg s ALA -2 Cb -0.13 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1xrg s ALA -2 CO 0.03 -1.75 0.00 0.41 0.00 0.00 0.00 175.76 174.45 1xrg n GLY -1 N 4.70 4.22 2.13 0.00 0.00 -1.26 -4.67 105.19 110.32 1xrg n GLY -1 Ca -0.00 0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 1xrg n GLY -1 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xrg n LEU 0 N 0.00 6.18 -3.62 0.99 4.77 -1.26 -5.19 117.00 118.87 1xrg n LEU 0 Ca 0.00 -3.54 -0.06 0.00 -0.03 0.00 0.00 56.01 52.38 1xrg n LEU 0 Cb 0.00 -1.20 -0.05 0.00 -2.33 0.00 0.00 43.42 39.84 1xrg n LEU 0 CO 0.00 1.50 0.98 -0.31 -1.33 0.00 0.00 177.39 178.23 1xrg s TYR 2 N -1.17 -0.20 -0.29 -1.77 2.02 -1.26 -5.05 117.35 109.63 1xrg s TYR 2 Ca 0.46 0.39 -0.09 0.00 -0.37 0.00 0.00 57.07 57.47 1xrg s TYR 2 Cb 0.30 0.46 -0.01 0.00 -0.40 0.00 0.00 41.96 42.31 1xrg s TYR 2 CO -0.10 -0.16 0.12 0.42 -1.57 0.00 0.00 175.55 174.26 1xrg s ILE 3 N -0.77 4.48 0.03 2.71 1.01 0.73 -4.11 121.20 125.27 1xrg s ILE 3 Ca 0.04 -0.36 0.09 0.00 0.00 0.00 0.00 60.65 60.41 1xrg s ILE 3 Cb -0.02 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 1xrg s ILE 3 CO -0.05 0.15 -0.26 -1.61 0.00 0.00 0.00 174.94 173.17 1xrg s GLU 4 N 1.61 1.81 0.18 2.79 2.02 -0.31 -1.62 118.70 125.18 1xrg s GLU 4 Ca 0.05 -1.04 -0.14 0.00 0.02 0.00 0.00 54.97 53.85 1xrg s GLU 4 Cb -0.17 -1.93 -0.07 0.00 0.10 0.00 0.00 34.13 32.07 1xrg s GLU 4 CO 0.05 0.51 0.58 0.54 0.02 0.00 0.00 175.26 176.96 1xrg s VAL 5 N -0.75 4.82 -0.16 2.63 0.11 -1.26 -0.58 120.40 125.22 1xrg s VAL 5 Ca 0.11 0.85 -0.04 0.00 -2.93 0.00 0.00 61.98 59.97 1xrg s VAL 5 Cb -0.10 -3.73 -0.03 0.00 -1.53 0.00 0.00 36.38 30.99 1xrg s VAL 5 CO 0.01 0.18 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.23 1xrg s VAL 6 N -1.54 3.89 -0.04 2.04 1.01 -0.05 -4.88 120.40 120.82 1xrg s VAL 6 Ca 0.40 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1xrg s VAL 6 Cb -0.14 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.56 1xrg s VAL 6 CO 0.20 0.49 -0.03 -0.54 0.00 0.00 0.00 175.10 175.22 1xrg s LYS 7 N 0.36 0.73 -0.05 2.72 1.02 -1.26 -3.91 119.74 119.35 1xrg s LYS 7 Ca -0.04 -0.06 -0.06 0.00 0.02 0.00 0.00 55.97 55.83 1xrg s LYS 7 Cb -0.14 -0.80 0.01 0.00 -0.52 0.00 0.00 37.83 36.38 1xrg s LYS 7 CO 0.03 -0.11 0.15 -0.08 -0.92 0.00 0.00 175.35 174.42 1xrg s THR 8 N 1.03 0.01 -1.15 2.17 -1.32 -1.26 -5.00 115.64 110.12 1xrg s THR 8 Ca -0.09 -0.11 0.28 0.00 -1.21 0.00 0.00 61.69 60.56 1xrg s THR 8 Cb -0.14 -0.26 0.25 0.00 -1.51 0.00 0.00 72.50 70.84 1xrg s THR 8 CO -0.01 -0.06 1.81 -0.46 -2.21 0.00 0.00 174.62 173.69 1xrg n ASN 9 N 2.75 0.20 0.00 8.08 6.94 -1.26 -3.15 115.26 128.82 1xrg n ASN 9 Ca -0.14 0.08 0.12 0.00 -0.02 0.00 0.00 54.58 54.62 1xrg n ASN 9 Cb 0.58 -0.23 0.67 0.00 -2.36 0.00 0.00 39.78 38.45 1xrg n ASN 9 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1xrg n LYS 10 N -1.38 0.52 -4.19 -3.83 5.02 -1.26 -4.82 118.16 108.21 1xrg n LYS 10 Ca 0.09 0.03 -0.12 0.00 -2.02 0.00 0.00 58.31 56.29 1xrg n LYS 10 Cb 0.32 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.73 1xrg n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xrg s ALA 11 N -2.35 1.14 0.29 7.82 0.00 -1.19 -4.83 121.76 122.65 1xrg s ALA 11 Ca 0.29 -1.36 -0.29 0.00 0.00 0.00 0.00 51.96 50.60 1xrg s ALA 11 Cb 0.17 0.10 -0.13 0.00 0.00 0.00 0.00 23.12 23.26 1xrg s ALA 11 CO 0.34 -0.16 1.19 -2.30 0.00 0.00 0.00 175.76 174.84 1xrg n PRO 12 N 0.02 1.73 -2.04 0.00 -0.02 -1.26 -4.85 135.00 128.57 1xrg n PRO 12 Ca -0.12 0.61 -0.39 0.00 -2.02 0.00 0.00 63.50 61.58 1xrg n PRO 12 Cb 0.60 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1xrg n PRO 12 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1xrg s GLU 13 N -1.34 3.75 -0.61 -0.52 2.12 -1.26 -4.95 118.70 115.89 1xrg s GLU 13 Ca 0.61 2.08 -0.24 0.00 0.36 0.00 0.00 54.97 57.78 1xrg s GLU 13 Cb -0.66 -2.57 0.05 0.00 0.26 0.00 0.00 34.13 31.21 1xrg s GLU 13 CO 0.58 -0.65 1.01 0.00 -0.54 0.00 0.00 175.26 175.66 1xrg s ALA 14 N -1.34 3.09 -0.25 6.30 0.00 -1.26 -5.01 121.76 123.29 1xrg s ALA 14 Ca 0.61 -1.40 -0.09 0.00 0.00 0.00 0.00 51.96 51.08 1xrg s ALA 14 Cb -0.36 -3.85 -0.04 0.00 0.00 0.00 0.00 23.12 18.86 1xrg s ALA 14 CO 0.45 -2.63 0.13 0.42 0.00 0.00 0.00 175.76 174.13 1xrg s ILE 15 N 4.27 4.91 0.00 0.00 1.09 -1.26 -4.88 121.20 125.32 1xrg s ILE 15 Ca 0.29 0.03 0.00 0.00 -1.10 0.00 0.00 60.65 59.87 1xrg s ILE 15 Cb -0.13 -3.30 0.00 0.00 -1.06 0.00 0.00 42.46 37.97 1xrg s ILE 15 CO 0.16 0.33 0.00 0.61 -0.10 0.00 0.00 174.94 175.94 1xrg n GLY 16 N 4.66 -1.31 2.42 6.18 0.00 -1.26 -4.79 105.19 111.09 1xrg n GLY 16 Ca -0.15 -2.08 -0.32 0.00 0.00 0.00 0.00 46.02 43.47 1xrg n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xrg n PRO 17 N 0.00 3.39 -4.02 1.61 -0.04 -1.26 -4.83 135.00 129.84 1xrg n PRO 17 Ca 0.00 -2.66 -0.10 0.00 -0.04 0.00 0.00 63.50 60.70 1xrg n PRO 17 Cb 0.00 -2.39 -0.07 0.00 -0.04 0.00 0.00 33.50 31.00 1xrg n PRO 17 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1xrg s TYR 18 N -0.88 0.56 0.10 0.54 -0.85 -1.26 -5.17 117.35 110.38 1xrg s TYR 18 Ca 0.59 -0.89 0.10 0.00 -0.52 0.00 0.00 57.07 56.34 1xrg s TYR 18 Cb 0.28 -0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.46 1xrg s TYR 18 CO -0.13 -0.75 -0.24 -1.12 -1.52 0.00 0.00 175.55 171.78 1xrg s SER 19 N -3.02 3.46 0.29 -0.18 0.01 -1.26 -4.77 113.70 108.23 1xrg s SER 19 Ca 0.23 -0.65 0.04 0.00 1.31 0.00 0.00 55.95 56.88 1xrg s SER 19 Cb 0.03 -0.34 0.71 0.00 0.21 0.00 0.00 66.02 66.63 1xrg s SER 19 CO 0.04 0.20 1.75 1.56 0.41 0.00 0.00 173.24 177.20 1xrg h GLN 20 N 4.08 0.61 -2.47 12.44 4.20 -1.94 -3.38 115.11 128.66 1xrg h GLN 20 Ca -0.50 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.21 1xrg h GLN 20 Cb 1.16 -0.14 -0.15 0.00 0.30 0.00 0.00 27.48 28.65 1xrg h GLN 20 CO 0.42 0.40 0.34 0.00 -0.67 0.00 0.00 178.83 179.33 1xrg s ALA 21 N -5.88 -1.74 -0.01 3.87 0.00 -1.25 -0.89 121.76 115.86 1xrg s ALA 21 Ca -0.11 0.89 0.07 0.00 0.00 0.00 0.00 51.96 52.81 1xrg s ALA 21 Cb 0.25 0.45 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 1xrg s ALA 21 CO 0.79 -0.64 -0.23 0.42 0.00 0.00 0.00 175.76 176.10 1xrg s ILE 22 N -2.94 1.79 -0.16 0.00 -1.09 -0.09 -0.88 121.20 117.84 1xrg s ILE 22 Ca 0.01 -0.99 -0.04 0.00 -2.23 0.00 0.00 60.65 57.39 1xrg s ILE 22 Cb -0.01 -1.49 -0.03 0.00 -1.58 0.00 0.00 42.46 39.35 1xrg s ILE 22 CO -0.07 0.49 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.41 1xrg s VAL 23 N -0.55 3.94 -0.12 2.92 1.01 0.26 -1.17 120.40 126.69 1xrg s VAL 23 Ca 0.09 -0.34 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 1xrg s VAL 23 Cb -0.09 -2.74 0.05 0.00 0.00 0.00 0.00 36.38 33.60 1xrg s VAL 23 CO -0.01 0.48 0.28 0.28 0.00 0.00 0.00 175.10 176.14 1xrg s THR 24 N 0.43 -0.03 0.00 3.92 -1.32 -0.41 -1.16 115.64 117.07 1xrg s THR 24 Ca -0.03 0.12 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 1xrg s THR 24 Cb -0.14 -0.43 0.00 0.00 -1.51 0.00 0.00 72.50 70.42 1xrg s THR 24 CO 0.03 0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.09 1xrg n GLY 25 N 4.06 3.60 1.45 6.08 0.00 -1.26 -1.23 105.19 117.90 1xrg n GLY 25 Ca -0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 1xrg n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xrg n SER 26 N 5.00 4.00 -4.64 1.61 3.41 -1.26 -4.98 113.62 116.76 1xrg n SER 26 Ca 0.00 -3.28 -0.34 0.00 -0.26 0.00 0.00 58.87 54.98 1xrg n SER 26 Cb 0.00 -0.66 -0.10 0.00 -0.26 0.00 0.00 64.21 63.19 1xrg n SER 26 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1xrg s PHE 27 N -3.00 3.07 -0.16 7.33 0.08 -0.36 -1.31 117.98 123.64 1xrg s PHE 27 Ca 0.49 0.10 -0.00 0.00 0.12 0.00 0.00 56.93 57.64 1xrg s PHE 27 Cb 0.40 -1.77 -0.01 0.00 -0.57 0.00 0.00 43.02 41.07 1xrg s PHE 27 CO 0.09 0.39 -0.13 0.08 -0.10 0.00 0.00 175.22 175.55 1xrg s VAL 28 N -0.78 2.86 -0.29 -0.44 1.01 0.13 -1.28 120.40 121.62 1xrg s VAL 28 Ca 0.12 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 1xrg s VAL 28 Cb -0.11 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.08 1xrg s VAL 28 CO 0.02 0.51 0.01 -0.31 0.00 0.00 0.00 175.10 175.32 1xrg s TYR 29 N 0.79 3.18 0.36 5.22 2.02 -0.32 -0.82 117.35 127.78 1xrg s TYR 29 Ca -0.05 -1.56 -0.04 0.00 -0.37 0.00 0.00 57.07 55.05 1xrg s TYR 29 Cb -0.15 -2.14 -0.04 0.00 -0.40 0.00 0.00 41.96 39.22 1xrg s TYR 29 CO 0.01 -0.73 0.62 0.95 -1.57 0.00 0.00 175.55 174.83 1xrg s THR 30 N 1.34 5.00 0.78 -0.71 -4.23 -0.70 -0.91 115.64 116.20 1xrg s THR 30 Ca -0.02 -0.03 -0.11 0.00 -1.18 0.00 0.00 61.69 60.36 1xrg s THR 30 Cb -0.18 -3.80 0.06 0.00 1.34 0.00 0.00 72.50 69.91 1xrg s THR 30 CO -0.01 -0.54 1.08 -0.44 -0.54 0.00 0.00 174.62 174.18 1xrg s SER 31 N -3.66 4.62 -0.33 3.99 0.01 -0.07 -4.41 113.70 113.86 1xrg s SER 31 Ca 0.44 1.54 -0.29 0.00 1.31 0.00 0.00 55.95 58.95 1xrg s SER 31 Cb -0.10 -2.30 -0.00 0.00 0.21 0.00 0.00 66.02 63.83 1xrg s SER 31 CO 0.35 -1.92 1.39 -0.83 0.41 0.00 0.00 173.24 172.65 1xrg s GLY 32 N -3.69 1.25 0.32 3.44 0.00 -1.26 -4.44 107.32 102.93 1xrg s GLY 32 Ca 0.60 0.07 -0.27 0.00 0.00 0.00 0.00 44.72 45.13 1xrg s GLY 32 CO 0.55 2.72 0.99 1.20 0.00 0.00 0.00 173.10 178.56 1xrg s GLN 33 N 4.53 4.55 0.15 2.90 -1.52 0.94 -4.76 119.66 126.45 1xrg s GLN 33 Ca 0.61 1.46 0.07 0.00 -1.95 0.00 0.00 55.36 55.54 1xrg s GLN 33 Cb -0.17 -2.88 -0.04 0.00 -0.22 0.00 0.00 33.01 29.69 1xrg s GLN 33 CO 0.27 0.22 -0.14 0.96 -0.25 0.00 0.00 175.29 176.36 1xrg s ILE 34 N -1.48 1.48 -0.38 1.08 -4.36 -1.26 -1.77 121.20 114.51 1xrg s ILE 34 Ca 0.49 -1.93 -0.07 0.00 -0.26 0.00 0.00 60.65 58.89 1xrg s ILE 34 Cb -0.23 -1.76 -0.22 0.00 1.25 0.00 0.00 42.46 41.51 1xrg s ILE 34 CO 0.28 -0.50 3.34 -0.81 0.24 0.00 0.00 174.94 177.49 1xrg n PRO 35 N 0.15 2.30 -3.34 0.37 -0.04 -1.26 -4.53 135.00 128.65 1xrg n PRO 35 Ca -0.12 -1.24 -0.38 0.00 -0.04 0.00 0.00 63.50 61.72 1xrg n PRO 35 Cb 0.58 -2.17 -0.06 0.00 -0.04 0.00 0.00 33.50 31.82 1xrg n PRO 35 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1xrg s ILE 36 N 1.38 5.13 -0.26 0.52 1.01 -1.26 -2.03 121.20 125.69 1xrg s ILE 36 Ca 0.65 0.95 -0.29 0.00 0.00 0.00 0.00 60.65 61.96 1xrg s ILE 36 Cb 0.27 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.94 1xrg s ILE 36 CO -0.01 0.38 1.18 0.21 0.00 0.00 0.00 174.94 176.70 1xrg s ASN 37 N 0.23 6.89 0.58 3.58 2.47 -0.31 -4.70 114.94 123.69 1xrg s ASN 37 Ca 0.26 1.31 0.36 0.00 0.42 0.00 0.00 52.86 55.21 1xrg s ASN 37 Cb -0.16 -2.54 1.74 0.00 -1.45 0.00 0.00 41.25 38.84 1xrg s ASN 37 CO 0.11 -0.87 2.13 1.55 -3.72 0.00 0.00 177.10 176.30 1xrg h PRO 38 N 8.36 0.00 -0.13 0.43 0.13 -1.89 -1.45 132.00 137.45 1xrg h PRO 38 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1xrg h PRO 38 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1xrg h PRO 38 CO 1.01 0.02 0.00 1.04 -0.23 0.00 0.00 178.00 179.84 1xrg n GLN 39 N -3.17 1.39 0.00 0.86 6.02 -1.26 -4.24 117.38 116.97 1xrg n GLN 39 Ca -0.01 -0.59 0.00 0.00 -0.01 0.00 0.00 57.00 56.39 1xrg n GLN 39 Cb 0.22 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 30.25 1xrg n GLN 39 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1xrg n THR 40 N -0.10 0.00 -0.55 5.09 5.66 -0.83 -5.03 114.28 118.52 1xrg n THR 40 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1xrg n THR 40 Cb 0.17 -0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 1xrg n THR 40 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xrg n GLY 41 N 0.30 1.59 3.81 1.09 0.00 -0.61 -5.03 105.19 106.34 1xrg n GLY 41 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1xrg n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xrg s GLU 42 N -0.12 2.97 0.36 1.61 0.41 -1.26 -4.87 118.70 117.81 1xrg s GLU 42 Ca 0.00 -0.77 -0.28 0.00 -0.41 0.00 0.00 54.97 53.51 1xrg s GLU 42 Cb 0.00 -2.72 -0.11 0.00 -1.78 0.00 0.00 34.13 29.52 1xrg s GLU 42 CO 0.00 0.52 1.49 0.08 -0.49 0.00 0.00 175.26 176.86 1xrg s VAL 43 N -1.63 2.10 0.56 2.63 1.01 -1.26 -1.16 120.40 122.65 1xrg s VAL 43 Ca 0.31 0.10 -0.20 0.00 0.00 0.00 0.00 61.98 62.19 1xrg s VAL 43 Cb -0.11 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 1xrg s VAL 43 CO 0.24 0.02 1.22 0.68 0.00 0.00 0.00 175.10 177.25 1xrg s VAL 44 N -0.97 2.67 0.74 2.92 -7.23 -0.86 -4.82 120.40 112.85 1xrg s VAL 44 Ca 0.54 0.45 -0.14 0.00 -1.81 0.00 0.00 61.98 61.01 1xrg s VAL 44 Cb -0.46 -3.20 0.04 0.00 0.56 0.00 0.00 36.38 33.32 1xrg s VAL 44 CO 0.60 -0.06 1.17 -1.81 -0.31 0.00 0.00 175.10 174.69 1xrg s ASP 45 N -1.47 4.29 0.00 4.85 1.11 -1.26 -4.87 116.67 119.32 1xrg s ASP 45 Ca 0.74 2.22 0.00 0.00 0.18 0.00 0.00 52.55 55.68 1xrg s ASP 45 Cb -0.31 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.11 1xrg s ASP 45 CO 0.35 -2.19 0.00 0.61 1.18 0.00 0.00 175.17 175.12 1xrg n GLY 46 N 0.04 -0.74 0.00 0.21 0.00 -1.26 -4.75 105.19 98.70 1xrg n GLY 46 Ca 0.12 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1xrg n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xrg n GLY 47 N 0.00 5.60 0.37 -0.02 0.00 -1.26 -4.92 105.19 104.96 1xrg n GLY 47 Ca 0.00 -1.82 -0.01 0.00 0.00 0.00 0.00 46.02 44.19 1xrg n GLY 47 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1xrg h ILE 48 N 0.00 1.23 -0.43 -0.61 6.09 -1.98 -0.15 117.51 121.65 1xrg h ILE 48 Ca 0.00 -0.42 -0.03 0.00 -1.37 0.00 0.00 64.86 63.05 1xrg h ILE 48 Cb 0.00 -0.10 -0.02 0.00 0.47 0.00 0.00 36.82 37.17 1xrg h ILE 48 CO 0.00 0.22 0.17 -0.08 -3.07 0.00 0.00 178.15 175.39 1xrg h GLU 49 N 1.22 0.65 -0.42 2.19 4.81 -1.96 0.25 114.58 121.32 1xrg h GLU 49 Ca 0.33 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 59.32 1xrg h GLU 49 Cb -0.13 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 1xrg h GLU 49 CO -0.07 0.61 -0.22 0.93 -0.73 0.00 0.00 179.01 179.52 1xrg h GLU 50 N 0.56 0.89 -0.41 1.92 3.07 -1.76 -2.27 114.58 116.58 1xrg h GLU 50 Ca 0.14 -0.40 -0.03 0.00 -0.50 0.00 0.00 59.36 58.58 1xrg h GLU 50 Cb 0.20 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 1xrg h GLU 50 CO -0.01 1.04 0.15 1.96 -1.40 0.00 0.00 179.01 180.75 1xrg h GLN 51 N 0.71 0.62 -0.49 2.33 4.20 -0.78 -2.36 115.11 119.34 1xrg h GLN 51 Ca 0.09 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.71 1xrg h GLN 51 Cb 0.79 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.44 1xrg h GLN 51 CO 0.06 0.60 0.27 0.00 -0.67 0.00 0.00 178.83 179.10 1xrg h ALA 52 N 0.99 0.62 -0.28 3.87 0.00 -0.45 -0.79 119.26 123.22 1xrg h ALA 52 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1xrg h ALA 52 Cb 0.22 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1xrg h ALA 52 CO -0.01 -0.05 -0.06 -0.22 0.00 0.00 0.00 179.25 178.91 1xrg h LYS 53 N 0.54 0.01 -0.56 0.00 3.64 -1.34 -2.38 116.57 116.49 1xrg h LYS 53 Ca 0.20 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.50 1xrg h LYS 53 Cb 0.06 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1xrg h LYS 53 CO -0.11 0.01 0.01 0.37 -2.27 0.00 0.00 179.45 177.46 1xrg h GLN 54 N 0.01 0.95 -0.47 1.90 5.75 -0.86 -0.53 115.11 121.85 1xrg h GLN 54 Ca 0.14 -0.27 0.04 0.00 -0.15 0.00 0.00 58.65 58.41 1xrg h GLN 54 Cb 0.20 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.61 1xrg h GLN 54 CO -0.28 0.93 0.23 0.28 -2.65 0.00 0.00 178.83 177.33 1xrg h VAL 55 N 0.88 0.94 -0.13 2.39 2.07 -1.04 -1.61 116.25 119.75 1xrg h VAL 55 Ca 0.16 -0.15 -0.16 0.00 0.82 0.00 0.00 66.70 67.37 1xrg h VAL 55 Cb 0.50 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1xrg h VAL 55 CO 0.02 0.08 -0.61 -0.07 0.02 0.00 0.00 177.57 177.01 1xrg h LEU 56 N 0.45 0.52 -0.33 2.57 3.38 -0.93 0.11 115.31 121.08 1xrg h LEU 56 Ca 0.21 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1xrg h LEU 56 Cb 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1xrg h LEU 56 CO -0.16 1.01 0.12 -0.33 0.09 0.00 0.00 178.44 179.17 1xrg h GLU 57 N 0.34 0.50 -0.34 1.13 4.39 -1.02 0.11 114.58 119.69 1xrg h GLU 57 Ca -0.01 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1xrg h GLU 57 Cb 1.16 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 1xrg h GLU 57 CO 0.11 0.51 0.22 -0.91 -1.16 0.00 0.00 179.01 177.78 1xrg h ASN 58 N 0.38 0.39 -0.17 1.42 2.35 -1.11 -0.79 115.58 118.05 1xrg h ASN 58 Ca 0.11 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1xrg h ASN 58 Cb 0.20 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1xrg h ASN 58 CO -0.01 0.28 0.04 0.25 -1.65 0.00 0.00 177.43 176.35 1xrg h LEU 59 N 0.45 0.03 -0.36 1.61 5.85 -0.58 -1.20 115.31 121.11 1xrg h LEU 59 Ca 0.12 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.94 1xrg h LEU 59 Cb -0.05 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 40.92 1xrg h LEU 59 CO -0.03 0.04 -0.32 0.50 -0.34 0.00 0.00 178.44 178.30 1xrg h LYS 60 N 0.12 -0.26 -0.26 1.25 3.64 -0.49 -0.53 116.57 120.03 1xrg h LYS 60 Ca 0.08 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 1xrg h LYS 60 Cb 0.06 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1xrg h LYS 60 CO -0.09 -0.17 -0.28 -0.91 -2.27 0.00 0.00 179.45 175.73 1xrg h ASN 61 N -0.27 0.53 -0.28 4.20 -0.26 -0.99 -0.16 115.58 118.36 1xrg h ASN 61 Ca 0.16 -0.19 -0.02 0.00 -0.56 0.00 0.00 56.30 55.69 1xrg h ASN 61 Cb 0.54 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.64 1xrg h ASN 61 CO -0.51 0.79 0.10 0.58 -1.06 0.00 0.00 177.43 177.33 1xrg h VAL 62 N 0.46 1.19 0.20 2.81 2.07 -1.02 -1.14 116.25 120.82 1xrg h VAL 62 Ca 0.06 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1xrg h VAL 62 Cb 0.72 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1xrg h VAL 62 CO 0.06 0.20 -0.10 -0.07 0.02 0.00 0.00 177.57 177.68 1xrg h LEU 63 N 0.29 -0.23 -1.20 2.57 3.38 -0.48 -1.44 115.31 118.20 1xrg h LEU 63 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1xrg h LEU 63 Cb 0.22 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1xrg h LEU 63 CO -0.00 -0.16 0.24 -0.33 0.09 0.00 0.00 178.44 178.28 1xrg h GLU 64 N -0.28 0.80 0.00 1.13 5.08 -1.10 0.12 114.58 120.33 1xrg h GLU 64 Ca -0.03 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1xrg h GLU 64 Cb 0.22 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1xrg h GLU 64 CO 0.05 0.64 -0.13 0.00 -1.00 0.00 0.00 179.01 178.56 1xrg h ALA 65 N 1.47 1.26 -0.00 3.43 0.00 -1.00 -2.12 119.26 122.30 1xrg h ALA 65 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xrg h ALA 65 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xrg h ALA 65 CO -0.02 0.17 -0.03 0.00 0.00 0.00 0.00 179.25 179.36 1xrg n ALA 66 N -2.28 2.57 -0.66 0.00 0.00 0.28 -4.88 120.51 115.55 1xrg n ALA 66 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1xrg n ALA 66 Cb 0.26 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1xrg n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xrg n GLY 67 N 1.28 0.68 0.00 0.00 0.00 -0.80 -5.02 105.19 101.34 1xrg n GLY 67 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1xrg n GLY 67 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xrg n SER 68 N 0.00 0.86 -3.65 1.61 2.88 -0.38 -4.86 113.62 110.08 1xrg n SER 68 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1xrg n SER 68 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1xrg n SER 68 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1xrg s SER 69 N 0.04 -0.19 0.38 -3.46 1.04 -1.26 -3.60 113.70 106.65 1xrg s SER 69 Ca 0.00 -0.21 0.13 0.00 0.48 0.00 0.00 55.95 56.35 1xrg s SER 69 Cb 0.00 0.35 0.93 0.00 0.10 0.00 0.00 66.02 67.41 1xrg s SER 69 CO 0.00 -0.63 1.86 -0.07 0.98 0.00 0.00 173.24 175.39 1xrg h LEU 70 N 2.00 0.54 -0.06 2.42 3.38 -1.90 -1.02 115.31 120.67 1xrg h LEU 70 Ca -0.23 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1xrg h LEU 70 Cb 1.22 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1xrg h LEU 70 CO 0.27 0.25 -0.01 -0.46 0.09 0.00 0.00 178.44 178.59 1xrg n ASN 71 N -4.55 0.11 -0.84 -0.43 0.23 -1.26 -2.73 115.26 105.78 1xrg n ASN 71 Ca 0.18 -0.78 0.07 0.00 -0.53 0.00 0.00 54.58 53.52 1xrg n ASN 71 Cb 0.56 -0.08 0.20 0.00 -2.08 0.00 0.00 39.78 38.39 1xrg n ASN 71 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1xrg n LYS 72 N -1.01 2.84 -2.54 -3.83 5.02 -0.39 -4.95 118.16 113.29 1xrg n LYS 72 Ca 0.21 -2.23 -0.42 0.00 -2.02 0.00 0.00 58.31 53.84 1xrg n LYS 72 Cb 0.17 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 1xrg n LYS 72 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xrg s VAL 73 N -1.01 4.42 -0.13 -0.18 1.01 -1.10 -0.74 120.40 122.67 1xrg s VAL 73 Ca 0.31 1.73 0.20 0.00 0.00 0.00 0.00 61.98 64.21 1xrg s VAL 73 Cb 0.16 -4.11 -0.28 0.00 0.00 0.00 0.00 36.38 32.15 1xrg s VAL 73 CO 0.21 0.04 0.26 1.33 0.00 0.00 0.00 175.10 176.94 1xrg n VAL 74 N 4.39 0.83 -3.68 2.92 0.24 0.67 -4.32 118.33 119.38 1xrg n VAL 74 Ca 0.09 -0.71 -0.10 0.00 -2.04 0.00 0.00 64.34 61.58 1xrg n VAL 74 Cb 0.47 -0.29 -0.09 0.00 -1.47 0.00 0.00 33.84 32.46 1xrg n VAL 74 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1xrg s LYS 75 N -2.92 0.54 0.23 7.34 2.47 -0.83 -1.25 119.74 125.32 1xrg s LYS 75 Ca -0.09 0.92 0.11 0.00 -1.56 0.00 0.00 55.97 55.36 1xrg s LYS 75 Cb 0.09 0.09 -0.05 0.00 -1.46 0.00 0.00 37.83 36.51 1xrg s LYS 75 CO 0.86 -0.14 -0.21 0.95 0.16 0.00 0.00 175.35 176.97 1xrg s THR 76 N 1.26 2.48 -0.13 3.43 -4.23 -0.14 -0.01 115.64 118.30 1xrg s THR 76 Ca -0.08 -2.15 0.03 0.00 -1.18 0.00 0.00 61.69 58.31 1xrg s THR 76 Cb -0.06 -2.24 0.01 0.00 1.34 0.00 0.00 72.50 71.55 1xrg s THR 76 CO -0.13 -0.23 -0.22 -0.89 -0.54 0.00 0.00 174.62 172.62 1xrg s THR 77 N -2.00 2.04 -0.40 3.99 2.01 -0.85 -1.85 115.64 118.58 1xrg s THR 77 Ca 0.25 -0.97 -0.12 0.00 0.31 0.00 0.00 61.69 61.16 1xrg s THR 77 Cb -0.07 -1.79 0.04 0.00 0.01 0.00 0.00 72.50 70.69 1xrg s THR 77 CO 0.12 0.55 0.25 -0.69 -0.69 0.00 0.00 174.62 174.16 1xrg s VAL 78 N 0.74 4.65 -0.24 3.82 1.01 0.39 -2.34 120.40 128.43 1xrg s VAL 78 Ca -0.09 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 60.75 1xrg s VAL 78 Cb -0.16 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1xrg s VAL 78 CO -0.00 -0.35 0.36 -0.36 0.00 0.00 0.00 175.10 174.75 1xrg s PHE 79 N 1.55 3.30 0.09 5.22 0.08 0.47 -2.07 117.98 126.62 1xrg s PHE 79 Ca 0.03 0.47 0.07 0.00 0.12 0.00 0.00 56.93 57.62 1xrg s PHE 79 Cb -0.21 -2.53 -0.03 0.00 -0.57 0.00 0.00 43.02 39.69 1xrg s PHE 79 CO 0.06 -0.12 -0.18 0.96 -0.10 0.00 0.00 175.22 175.85 1xrg s ILE 80 N 1.68 1.44 -0.05 0.64 -4.36 -0.13 -0.91 121.20 119.51 1xrg s ILE 80 Ca 0.16 -1.43 0.16 0.00 -0.26 0.00 0.00 60.65 59.27 1xrg s ILE 80 Cb -0.15 -1.34 0.07 0.00 1.25 0.00 0.00 42.46 42.30 1xrg s ILE 80 CO 0.09 -0.13 1.52 0.50 0.24 0.00 0.00 174.94 177.16 1xrg h LYS 81 N 4.18 0.00 -4.75 0.37 1.63 -1.31 -0.59 116.57 116.09 1xrg h LYS 81 Ca -0.44 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.02 1xrg h LYS 81 Cb 1.19 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 32.67 1xrg h LYS 81 CO 0.40 0.49 -0.58 0.34 -3.45 0.00 0.00 179.45 176.64 1xrg s ASP 82 N -6.45 0.89 0.00 4.20 2.15 -1.26 -4.72 116.67 111.47 1xrg s ASP 82 Ca 0.03 -1.50 0.00 0.00 0.43 0.00 0.00 52.55 51.51 1xrg s ASP 82 Cb 0.09 0.39 0.00 0.00 -0.30 0.00 0.00 42.92 43.09 1xrg s ASP 82 CO 0.73 -0.88 0.00 0.47 -0.17 0.00 0.00 175.17 175.32 1xrg n ASP 84 N -0.69 0.00 -1.79 -0.34 8.00 -1.26 -4.03 116.55 116.45 1xrg n ASP 84 Ca 0.03 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.36 1xrg n ASP 84 Cb 0.65 -0.03 0.18 0.00 -0.02 0.00 0.00 41.12 41.91 1xrg n ASP 84 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1xrg n SER 85 N 0.00 3.30 0.08 -2.24 3.41 -1.26 -4.65 113.62 112.26 1xrg n SER 85 Ca 0.00 -3.70 0.05 0.00 -0.26 0.00 0.00 58.87 54.96 1xrg n SER 85 Cb 0.00 -0.75 0.48 0.00 -0.26 0.00 0.00 64.21 63.67 1xrg n SER 85 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1xrg h PHE 86 N 1.03 0.35 -0.82 7.33 3.57 -2.01 -2.35 116.94 124.04 1xrg h PHE 86 Ca 0.46 0.00 0.11 0.00 3.53 0.00 0.00 57.97 62.07 1xrg h PHE 86 Cb 2.31 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 40.87 1xrg h PHE 86 CO 1.36 0.25 0.53 0.00 -2.23 0.00 0.00 178.31 178.22 1xrg h ALA 87 N 1.80 1.78 -0.18 2.41 0.00 -1.96 0.16 119.26 123.28 1xrg h ALA 87 Ca 0.10 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1xrg h ALA 87 Cb 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1xrg h ALA 87 CO -0.02 0.04 -0.15 0.87 0.00 0.00 0.00 179.25 179.99 1xrg h LYS 88 N 0.72 0.41 -0.73 0.00 1.79 -1.80 -1.24 116.57 115.72 1xrg h LYS 88 Ca 0.38 -0.21 0.04 0.00 -2.18 0.00 0.00 60.65 58.68 1xrg h LYS 88 Cb 0.51 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.12 1xrg h LYS 88 CO -0.15 0.76 0.45 0.28 -1.08 0.00 0.00 179.45 179.72 1xrg h VAL 89 N 0.07 1.08 -0.77 0.50 2.07 -1.27 -2.92 116.25 115.01 1xrg h VAL 89 Ca 0.03 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1xrg h VAL 89 Cb 0.68 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1xrg h VAL 89 CO 0.04 0.16 0.49 0.78 0.02 0.00 0.00 177.57 179.06 1xrg h ASN 90 N 0.88 0.91 -0.51 0.57 4.21 -0.55 0.09 115.58 121.17 1xrg h ASN 90 Ca 0.30 -0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.77 1xrg h ASN 90 Cb 0.05 -0.23 -0.03 0.00 -1.12 0.00 0.00 38.32 37.00 1xrg h ASN 90 CO -0.12 0.68 0.33 -0.08 -1.29 0.00 0.00 177.43 176.95 1xrg h GLU 91 N 1.05 0.68 0.07 0.81 4.81 -1.15 -0.14 114.58 120.71 1xrg h GLU 91 Ca 0.28 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 59.27 1xrg h GLU 91 Cb -0.08 -0.15 0.02 0.00 0.63 0.00 0.00 28.75 29.16 1xrg h GLU 91 CO -0.06 0.46 -0.83 0.28 -0.73 0.00 0.00 179.01 178.13 1xrg h VAL 92 N 0.70 1.42 -0.70 0.32 2.07 -1.23 -3.36 116.25 115.47 1xrg h VAL 92 Ca 0.19 -2.31 0.01 0.00 0.82 0.00 0.00 66.70 65.41 1xrg h VAL 92 Cb -0.07 2.80 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 1xrg h VAL 92 CO -0.04 0.68 0.46 0.22 0.02 0.00 0.00 177.57 178.90 1xrg h TYR 93 N -0.09 0.87 -0.06 1.57 3.20 -0.73 -2.00 116.97 119.73 1xrg h TYR 93 Ca -0.12 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.79 1xrg h TYR 93 Cb 1.57 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 39.54 1xrg h TYR 93 CO 0.15 0.53 0.09 0.00 -1.64 0.00 0.00 178.16 177.29 1xrg h ALA 94 N 1.27 1.53 0.00 1.82 0.00 -1.17 -0.39 119.26 122.32 1xrg h ALA 94 Ca 0.26 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1xrg h ALA 94 Cb -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1xrg h ALA 94 CO -0.07 -0.12 -0.09 0.87 0.00 0.00 0.00 179.25 179.84 1xrg h LYS 95 N 0.00 0.00 0.00 0.00 1.57 -1.49 -3.32 116.57 113.33 1xrg h LYS 95 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1xrg h LYS 95 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1xrg h LYS 95 CO -0.00 0.09 -0.96 0.66 -0.57 0.00 0.00 179.45 178.67 1xrg n TYR 96 N -3.15 0.06 -4.19 -1.35 4.02 -0.17 -4.95 117.16 107.43 1xrg n TYR 96 Ca 0.02 0.02 -0.12 0.00 -0.01 0.00 0.00 57.90 57.81 1xrg n TYR 96 Cb 0.48 -0.19 -0.10 0.00 -0.02 0.00 0.00 39.34 39.50 1xrg n TYR 96 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1xrg s PHE 97 N -3.08 1.01 0.29 -0.72 0.08 -1.16 -4.80 117.98 109.61 1xrg s PHE 97 Ca 0.07 -0.85 -0.07 0.00 0.12 0.00 0.00 56.93 56.20 1xrg s PHE 97 Cb 0.16 -0.56 -0.00 0.00 -0.57 0.00 0.00 43.02 42.05 1xrg s PHE 97 CO 0.82 -0.07 0.45 -1.54 -0.10 0.00 0.00 175.22 174.78 1xrg s SER 98 N -3.05 0.43 0.29 1.36 1.04 -1.26 -4.79 113.70 107.72 1xrg s SER 98 Ca 0.13 -1.26 -0.30 0.00 0.48 0.00 0.00 55.95 55.00 1xrg s SER 98 Cb 0.04 0.61 -0.12 0.00 0.10 0.00 0.00 66.02 66.65 1xrg s SER 98 CO -0.03 -1.21 1.43 -0.62 0.98 0.00 0.00 173.24 173.80 1xrg n GLU 99 N -0.47 2.28 -2.49 4.02 1.02 -1.26 -3.26 120.64 120.49 1xrg n GLU 99 Ca -0.00 0.81 -0.43 0.00 -0.02 0.00 0.00 57.16 57.52 1xrg n GLU 99 Cb 0.62 -2.49 -0.02 0.00 -0.02 0.00 0.00 31.44 29.53 1xrg n GLU 99 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1xrg s PRO 100 N -0.93 4.32 0.50 3.49 0.04 -1.26 -5.14 135.00 136.03 1xrg s PRO 100 Ca 0.63 1.62 -0.21 0.00 0.04 0.00 0.00 61.00 63.08 1xrg s PRO 100 Cb -0.58 -3.61 -0.06 0.00 0.04 0.00 0.00 34.50 30.29 1xrg s PRO 100 CO 0.54 -0.51 1.15 0.71 0.04 0.00 0.00 177.00 178.93 1xrg s TYR 101 N 2.58 2.75 0.67 0.56 2.02 -1.20 -5.00 117.35 119.73 1xrg s TYR 101 Ca 0.54 1.54 -0.17 0.00 -0.37 0.00 0.00 57.07 58.61 1xrg s TYR 101 Cb -0.23 -3.34 0.01 0.00 -0.40 0.00 0.00 41.96 37.99 1xrg s TYR 101 CO 0.19 -1.58 1.24 -2.14 -1.57 0.00 0.00 175.55 171.69 1xrg s PRO 102 N -3.00 2.47 0.72 -1.71 0.02 -1.26 -5.01 135.00 127.22 1xrg s PRO 102 Ca 0.69 1.88 -0.15 0.00 0.02 0.00 0.00 61.00 63.43 1xrg s PRO 102 Cb -0.27 -1.86 0.03 0.00 0.02 0.00 0.00 34.50 32.43 1xrg s PRO 102 CO 0.31 -1.61 1.20 0.00 -0.33 0.00 0.00 177.00 176.57 1xrg s ALA 103 N -1.70 2.16 -0.13 -1.55 0.00 -0.38 -4.87 121.76 115.29 1xrg s ALA 103 Ca 0.78 0.87 -0.16 0.00 0.00 0.00 0.00 51.96 53.45 1xrg s ALA 103 Cb -0.32 -3.46 0.04 0.00 0.00 0.00 0.00 23.12 19.38 1xrg s ALA 103 CO 0.41 -1.81 0.43 0.50 0.00 0.00 0.00 175.76 175.28 1xrg s ARG 104 N -3.90 0.56 -0.03 0.00 3.52 -1.26 -0.97 118.95 116.88 1xrg s ARG 104 Ca 0.74 0.46 0.06 0.00 -0.13 0.00 0.00 55.73 56.86 1xrg s ARG 104 Cb -0.29 0.27 -0.02 0.00 -1.56 0.00 0.00 34.95 33.35 1xrg s ARG 104 CO 0.45 -0.09 -0.22 -1.12 -0.81 0.00 0.00 175.30 173.50 1xrg s SER 105 N -0.10 3.39 -0.10 -2.12 0.01 -0.77 -4.99 113.70 109.03 1xrg s SER 105 Ca -0.03 -0.37 -0.00 0.00 1.31 0.00 0.00 55.95 56.85 1xrg s SER 105 Cb -0.03 -0.54 0.02 0.00 0.21 0.00 0.00 66.02 65.69 1xrg s SER 105 CO 0.02 0.33 -0.06 0.00 0.41 0.00 0.00 173.24 173.93 1xrg s VAL 107 N 1.71 0.47 -0.21 0.00 -7.23 -0.88 -5.01 120.40 109.24 1xrg s VAL 107 Ca 0.04 -0.87 -0.23 0.00 -1.81 0.00 0.00 61.98 59.11 1xrg s VAL 107 Cb -0.13 -0.51 -0.02 0.00 0.56 0.00 0.00 36.38 36.29 1xrg s VAL 107 CO -0.07 -0.28 0.73 -0.70 -0.31 0.00 0.00 175.10 174.47 1xrg s GLU 108 N -1.24 4.20 0.47 4.82 2.12 -1.26 -0.95 118.70 126.86 1xrg s GLU 108 Ca -0.08 0.79 0.08 0.00 0.36 0.00 0.00 54.97 56.12 1xrg s GLU 108 Cb -0.08 -3.61 0.01 0.00 0.26 0.00 0.00 34.13 30.71 1xrg s GLU 108 CO 0.00 -0.37 0.48 0.14 -0.54 0.00 0.00 175.26 174.97 1xrg s VAL 109 N 2.34 2.44 -0.10 3.70 -7.23 -0.23 -4.92 120.40 116.39 1xrg s VAL 109 Ca 0.32 -1.26 0.16 0.00 -1.81 0.00 0.00 61.98 59.39 1xrg s VAL 109 Cb -0.16 -2.70 -0.21 0.00 0.56 0.00 0.00 36.38 33.87 1xrg s VAL 109 CO 0.10 0.00 0.55 -1.54 -0.31 0.00 0.00 175.10 173.90 1xrg n SER 110 N -1.75 0.60 -3.46 4.85 3.41 -1.26 -4.56 113.62 111.45 1xrg n SER 110 Ca 0.05 0.28 -0.13 0.00 -0.26 0.00 0.00 58.87 58.81 1xrg n SER 110 Cb 0.62 0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 64.92 1xrg n SER 110 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1xrg s LYS 111 N -2.71 1.16 0.22 4.33 2.20 -1.26 -5.06 119.74 118.61 1xrg s LYS 111 Ca -0.06 -0.26 0.03 0.00 -0.36 0.00 0.00 55.97 55.32 1xrg s LYS 111 Cb 0.08 0.54 -0.05 0.00 -1.51 0.00 0.00 37.83 36.89 1xrg s LYS 111 CO 0.83 -0.47 0.01 -0.51 -0.36 0.00 0.00 175.35 174.84 1xrg s LEU 112 N -2.30 2.13 0.27 5.43 1.43 -1.26 -5.07 118.68 119.30 1xrg s LEU 112 Ca -0.01 -1.22 -0.30 0.00 -1.03 0.00 0.00 54.13 51.56 1xrg s LEU 112 Cb -0.01 -0.21 -0.13 0.00 0.03 0.00 0.00 46.19 45.87 1xrg s LEU 112 CO -0.07 -0.54 1.34 -2.65 0.23 0.00 0.00 176.35 174.67 1xrg n PRO 113 N -0.39 1.99 -1.69 1.29 -0.02 -1.26 -1.92 135.00 132.99 1xrg n PRO 113 Ca -0.05 0.70 -0.20 0.00 -2.02 0.00 0.00 63.50 61.94 1xrg n PRO 113 Cb 0.64 -2.32 -0.07 0.00 -0.02 0.00 0.00 33.50 31.73 1xrg n PRO 113 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1xrg n LYS 114 N 1.54 -1.48 -1.23 -0.52 5.02 -1.26 -2.59 118.16 117.65 1xrg n LYS 114 Ca 0.10 1.14 -0.08 0.00 -2.02 0.00 0.00 58.31 57.44 1xrg n LYS 114 Cb 0.32 -5.54 -0.03 0.00 -0.02 0.00 0.00 35.03 29.76 1xrg n LYS 114 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xrg n GLY 115 N -0.45 0.97 3.70 0.72 0.00 -0.81 -5.02 105.19 104.30 1xrg n GLY 115 Ca -0.20 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 1xrg n GLY 115 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xrg s VAL 116 N -2.21 2.69 -0.97 1.61 -7.23 -1.07 -4.91 120.40 108.31 1xrg s VAL 116 Ca 0.00 0.22 0.22 0.00 -1.81 0.00 0.00 61.98 60.61 1xrg s VAL 116 Cb 0.00 -2.59 -0.18 0.00 0.56 0.00 0.00 36.38 34.18 1xrg s VAL 116 CO 0.00 -0.29 1.01 0.18 -0.31 0.00 0.00 175.10 175.69 1xrg n LEU 117 N -3.94 0.86 -3.67 1.32 4.77 -1.26 -4.39 117.00 110.70 1xrg n LEU 117 Ca 0.08 -0.37 -0.14 0.00 -0.03 0.00 0.00 56.01 55.55 1xrg n LEU 117 Cb 0.54 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.49 1xrg n LEU 117 CO 0.54 0.21 0.24 -0.51 -1.33 0.00 0.00 177.39 176.54 1xrg s ILE 118 N -3.01 0.01 -0.02 -0.08 2.07 -1.26 -1.01 121.20 117.89 1xrg s ILE 118 Ca 0.08 -0.06 -0.01 0.00 -1.41 0.00 0.00 60.65 59.25 1xrg s ILE 118 Cb 0.16 -0.78 0.02 0.00 0.13 0.00 0.00 42.46 41.99 1xrg s ILE 118 CO 0.83 -0.03 0.05 -0.70 -1.91 0.00 0.00 174.94 173.18 1xrg s GLU 119 N -0.16 0.01 -0.07 3.50 2.12 -0.09 -4.37 118.70 119.65 1xrg s GLU 119 Ca -0.04 0.17 0.01 0.00 0.36 0.00 0.00 54.97 55.47 1xrg s GLU 119 Cb -0.03 -0.14 0.02 0.00 0.26 0.00 0.00 34.13 34.24 1xrg s GLU 119 CO 0.03 -0.11 -0.06 0.42 -0.54 0.00 0.00 175.26 175.00 1xrg s ILE 120 N 0.71 0.74 0.25 -3.70 1.01 -0.73 -0.40 121.20 119.08 1xrg s ILE 120 Ca -0.06 -0.19 0.08 0.00 0.00 0.00 0.00 60.65 60.49 1xrg s ILE 120 Cb -0.08 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 1xrg s ILE 120 CO -0.02 0.29 0.08 -1.83 0.00 0.00 0.00 174.94 173.46 1xrg s GLU 121 N 1.22 2.58 0.01 2.79 -1.05 -0.99 -0.04 118.70 123.21 1xrg s GLU 121 Ca -0.06 -1.23 0.00 0.00 -0.15 0.00 0.00 54.97 53.54 1xrg s GLU 121 Cb -0.14 -2.35 -0.01 0.00 -0.44 0.00 0.00 34.13 31.19 1xrg s GLU 121 CO -0.02 0.39 -0.02 0.00 0.95 0.00 0.00 175.26 176.56 1xrg s ALA 122 N -2.19 0.09 -0.14 -0.84 0.00 -1.26 -2.00 121.76 115.42 1xrg s ALA 122 Ca 0.32 -0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.00 1xrg s ALA 122 Cb -0.07 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 1xrg s ALA 122 CO 0.22 -0.05 -0.04 0.08 0.00 0.00 0.00 175.76 175.97 1xrg s VAL 123 N -0.56 3.84 0.15 0.00 1.01 0.98 -1.73 120.40 124.10 1xrg s VAL 123 Ca -0.06 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1xrg s VAL 123 Cb -0.04 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1xrg s VAL 123 CO -0.00 0.51 0.04 0.00 0.00 0.00 0.00 175.10 175.64 1xrg s ALA 124 N 0.21 1.09 0.22 5.51 0.00 -0.00 -0.24 121.76 128.55 1xrg s ALA 124 Ca -0.03 -1.53 0.07 0.00 0.00 0.00 0.00 51.96 50.47 1xrg s ALA 124 Cb -0.14 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 1xrg s ALA 124 CO 0.03 -0.42 0.13 0.96 0.00 0.00 0.00 175.76 176.46 1xrg s ILE 125 N -3.88 4.23 -2.80 0.00 -4.36 0.08 0.21 121.20 114.69 1xrg s ILE 125 Ca 0.24 -1.38 0.26 0.00 -0.26 0.00 0.00 60.65 59.51 1xrg s ILE 125 Cb 0.07 -3.23 0.34 0.00 1.25 0.00 0.00 42.46 40.89 1xrg s ILE 125 CO 0.03 -0.25 1.46 1.17 0.24 0.00 0.00 174.94 177.58