#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xrg s ILE 3 N 0.00 0.76 -0.02 -0.72 1.01 -1.26 -4.20 121.20 116.78 1xrg s ILE 3 Ca 0.00 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.45 1xrg s ILE 3 Cb 0.00 -0.75 -0.01 0.00 0.01 0.00 0.00 42.46 41.71 1xrg s ILE 3 CO 0.00 0.28 -0.16 -1.61 0.00 0.00 0.00 174.94 173.45 1xrg s GLU 4 N 0.89 1.37 -0.23 2.79 2.02 0.11 -4.98 118.70 120.67 1xrg s GLU 4 Ca -0.11 -0.58 -0.10 0.00 0.02 0.00 0.00 54.97 54.20 1xrg s GLU 4 Cb -0.15 -1.30 -0.05 0.00 0.10 0.00 0.00 34.13 32.73 1xrg s GLU 4 CO 0.01 0.33 0.14 0.08 0.02 0.00 0.00 175.26 175.84 1xrg s VAL 5 N -0.32 5.16 0.01 2.63 1.01 -1.26 -0.28 120.40 127.35 1xrg s VAL 5 Ca 0.05 0.11 -0.28 0.00 0.00 0.00 0.00 61.98 61.86 1xrg s VAL 5 Cb -0.07 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1xrg s VAL 5 CO -0.00 0.36 0.88 -0.69 0.00 0.00 0.00 175.10 175.65 1xrg s VAL 6 N 1.02 4.84 -0.39 2.92 1.01 -0.63 -4.99 120.40 124.19 1xrg s VAL 6 Ca 0.07 1.85 0.09 0.00 0.00 0.00 0.00 61.98 63.99 1xrg s VAL 6 Cb -0.14 -4.22 0.28 0.00 0.00 0.00 0.00 36.38 32.30 1xrg s VAL 6 CO 0.04 0.23 0.59 0.29 0.00 0.00 0.00 175.10 176.25 1xrg n LYS 7 N 3.56 0.79 -3.70 2.72 5.02 -1.26 -4.01 118.16 121.27 1xrg n LYS 7 Ca 0.03 -3.24 -0.37 0.00 -2.02 0.00 0.00 58.31 52.71 1xrg n LYS 7 Cb 0.51 -1.35 -0.06 0.00 -0.02 0.00 0.00 35.03 34.10 1xrg n LYS 7 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1xrg s THR 8 N -1.50 5.32 -2.02 -0.18 -1.32 -1.26 -4.98 115.64 109.70 1xrg s THR 8 Ca 0.36 0.45 0.28 0.00 -1.21 0.00 0.00 61.69 61.58 1xrg s THR 8 Cb 0.22 -3.54 0.78 0.00 -1.51 0.00 0.00 72.50 68.46 1xrg s THR 8 CO -0.10 0.56 2.06 -0.46 -2.21 0.00 0.00 174.62 174.47 1xrg n ASN 9 N 2.27 0.06 -0.16 8.08 0.23 -1.26 -2.99 115.26 121.48 1xrg n ASN 9 Ca -0.17 -1.14 0.13 0.00 -0.53 0.00 0.00 54.58 52.87 1xrg n ASN 9 Cb 0.53 -0.00 0.47 0.00 -2.08 0.00 0.00 39.78 38.71 1xrg n ASN 9 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1xrg n LYS 10 N -0.89 0.68 -4.25 -3.83 5.02 -1.26 -4.89 118.16 108.73 1xrg n LYS 10 Ca 0.21 -0.33 -0.14 0.00 -2.02 0.00 0.00 58.31 56.03 1xrg n LYS 10 Cb 0.11 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.52 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 -2.55 1.43 0.39 7.82 0.00 -1.16 -4.86 121.76 122.83 1xrg s ALA 11 Ca 0.25 -1.56 -0.28 0.00 0.00 0.00 0.00 51.96 50.37 1xrg s ALA 11 Cb 0.19 0.31 -0.11 0.00 0.00 0.00 0.00 23.12 23.52 1xrg s ALA 11 CO 0.52 -0.22 1.47 -2.30 0.00 0.00 0.00 175.76 175.23 1xrg n PRO 12 N -0.24 2.60 -1.97 0.00 -0.02 -1.26 -4.87 135.00 129.25 1xrg n PRO 12 Ca -0.08 0.91 -0.40 0.00 -2.02 0.00 0.00 63.50 61.91 1xrg n PRO 12 Cb 0.62 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 -2.15 3.88 -0.75 -0.52 2.12 -1.26 -4.92 118.70 115.09 1xrg s GLU 13 Ca 0.54 2.25 -0.27 0.00 0.36 0.00 0.00 54.97 57.86 1xrg s GLU 13 Cb -0.47 -2.73 0.03 0.00 0.26 0.00 0.00 34.13 31.22 1xrg s GLU 13 CO 0.63 -0.60 1.29 0.00 -0.54 0.00 0.00 175.26 176.04 1xrg s ALA 14 N -1.24 2.75 -0.27 6.30 0.00 -1.26 -4.99 121.76 123.05 1xrg s ALA 14 Ca 0.58 -1.41 -0.13 0.00 0.00 0.00 0.00 51.96 51.00 1xrg s ALA 14 Cb -0.40 -4.27 -0.04 0.00 0.00 0.00 0.00 23.12 18.40 1xrg s ALA 14 CO 0.52 -3.31 0.28 0.42 0.00 0.00 0.00 175.76 173.67 1xrg s ILE 15 N 5.71 5.25 0.00 0.00 -1.09 -1.26 -4.89 121.20 124.91 1xrg s ILE 15 Ca 0.36 0.37 0.00 0.00 -2.23 0.00 0.00 60.65 59.15 1xrg s ILE 15 Cb -0.08 -3.61 0.00 0.00 -1.58 0.00 0.00 42.46 37.19 1xrg s ILE 15 CO 0.14 0.21 0.00 0.61 -1.23 0.00 0.00 174.94 174.67 1xrg n GLY 16 N 4.82 -0.88 2.34 6.18 0.00 -1.26 -4.82 105.19 111.57 1xrg n GLY 16 Ca -0.11 -2.19 -0.37 0.00 0.00 0.00 0.00 46.02 43.35 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 -0.07 3.78 -4.00 1.61 -0.04 -1.26 -4.84 135.00 130.19 1xrg n PRO 17 Ca 0.00 -2.47 -0.10 0.00 -0.04 0.00 0.00 63.50 60.89 1xrg n PRO 17 Cb 0.00 -2.67 -0.05 0.00 -0.04 0.00 0.00 33.50 30.74 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 1.02 0.47 0.09 0.54 -0.85 -1.26 -5.18 117.35 112.19 1xrg s TYR 18 Ca 0.65 -0.83 0.09 0.00 -0.52 0.00 0.00 57.07 56.46 1xrg s TYR 18 Cb 0.20 0.18 -0.03 0.00 0.38 0.00 0.00 41.96 42.68 1xrg s TYR 18 CO -0.07 -1.05 -0.23 -1.12 -1.52 0.00 0.00 175.55 171.56 1xrg s SER 19 N -3.06 2.75 0.25 -0.18 0.01 -1.26 -4.79 113.70 107.43 1xrg s SER 19 Ca 0.24 -0.66 -0.04 0.00 1.31 0.00 0.00 55.95 56.80 1xrg s SER 19 Cb -0.01 -0.18 0.52 0.00 0.21 0.00 0.00 66.02 66.56 1xrg s SER 19 CO 0.11 0.12 1.67 1.56 0.41 0.00 0.00 173.24 177.11 1xrg h GLN 20 N 4.23 0.24 -2.29 12.44 4.20 -1.93 -3.38 115.11 128.62 1xrg h GLN 20 Ca -0.47 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.24 1xrg h GLN 20 Cb 1.17 -0.05 -0.17 0.00 0.30 0.00 0.00 27.48 28.73 1xrg h GLN 20 CO 0.40 0.16 0.33 0.00 -0.67 0.00 0.00 178.83 179.05 1xrg s ALA 21 N -6.03 -1.76 -0.05 3.87 0.00 -1.26 -1.00 121.76 115.53 1xrg s ALA 21 Ca -0.13 1.05 0.06 0.00 0.00 0.00 0.00 51.96 52.94 1xrg s ALA 21 Cb 0.22 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.57 1xrg s ALA 21 CO 0.76 -0.55 -0.25 0.42 0.00 0.00 0.00 175.76 176.14 1xrg s ILE 22 N -2.39 2.04 -0.20 0.00 -1.09 -0.16 -1.60 121.20 117.80 1xrg s ILE 22 Ca -0.02 -1.07 -0.06 0.00 -2.23 0.00 0.00 60.65 57.27 1xrg s ILE 22 Cb -0.01 -1.72 -0.03 0.00 -1.58 0.00 0.00 42.46 39.13 1xrg s ILE 22 CO -0.03 0.57 0.03 -0.69 -1.23 0.00 0.00 174.94 173.59 1xrg s VAL 23 N -0.25 4.30 -0.21 2.92 1.01 0.62 -0.76 120.40 128.04 1xrg s VAL 23 Ca -0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 1xrg s VAL 23 Cb -0.13 -2.95 0.07 0.00 0.00 0.00 0.00 36.38 33.37 1xrg s VAL 23 CO 0.03 0.42 0.08 0.28 0.00 0.00 0.00 175.10 175.91 1xrg s THR 24 N 0.88 0.21 0.00 3.92 -1.32 -0.08 -0.71 115.64 118.53 1xrg s THR 24 Ca 0.02 -0.49 0.00 0.00 -1.21 0.00 0.00 61.69 60.01 1xrg s THR 24 Cb -0.14 -0.89 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 1xrg s THR 24 CO 0.02 -0.36 0.00 0.61 -2.21 0.00 0.00 174.62 172.69 1xrg n GLY 25 N 5.16 3.19 0.89 6.08 0.00 -1.26 -2.17 105.19 117.08 1xrg n GLY 25 Ca -0.07 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 7.44 2.61 -4.49 1.61 3.41 -1.26 -4.88 113.62 118.05 1xrg n SER 26 Ca 0.00 -1.96 -0.32 0.00 -0.26 0.00 0.00 58.87 56.33 1xrg n SER 26 Cb 0.00 -0.30 -0.13 0.00 -0.26 0.00 0.00 64.21 63.53 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 -1.41 2.70 -0.15 7.33 0.08 -0.92 -0.07 117.98 125.54 1xrg s PHE 27 Ca 0.34 -0.16 0.01 0.00 0.12 0.00 0.00 56.93 57.24 1xrg s PHE 27 Cb 0.18 -1.59 0.02 0.00 -0.57 0.00 0.00 43.02 41.06 1xrg s PHE 27 CO 0.24 0.23 -0.19 0.08 -0.10 0.00 0.00 175.22 175.48 1xrg s VAL 28 N -0.82 1.90 -0.36 -0.44 1.01 -0.11 -0.91 120.40 120.67 1xrg s VAL 28 Ca 0.13 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 1xrg s VAL 28 Cb -0.11 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.58 1xrg s VAL 28 CO 0.03 0.52 0.18 -0.31 0.00 0.00 0.00 175.10 175.52 1xrg s TYR 29 N 1.14 3.23 0.42 5.22 2.02 0.07 -0.72 117.35 128.73 1xrg s TYR 29 Ca -0.00 -0.98 -0.14 0.00 -0.37 0.00 0.00 57.07 55.58 1xrg s TYR 29 Cb -0.14 -2.40 -0.08 0.00 -0.40 0.00 0.00 41.96 38.94 1xrg s TYR 29 CO -0.08 -0.63 0.84 0.95 -1.57 0.00 0.00 175.55 175.06 1xrg s THR 30 N 1.54 4.66 0.82 -0.71 -4.23 -0.73 -0.99 115.64 116.01 1xrg s THR 30 Ca 0.02 0.92 -0.11 0.00 -1.18 0.00 0.00 61.69 61.34 1xrg s THR 30 Cb -0.19 -3.70 0.09 0.00 1.34 0.00 0.00 72.50 70.05 1xrg s THR 30 CO 0.06 -0.50 1.12 -0.44 -0.54 0.00 0.00 174.62 174.33 1xrg s SER 31 N -2.90 3.85 -0.35 3.99 0.01 -0.17 -4.47 113.70 113.66 1xrg s SER 31 Ca 0.55 2.02 -0.28 0.00 1.31 0.00 0.00 55.95 59.55 1xrg s SER 31 Cb -0.10 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 1xrg s SER 31 CO 0.27 -2.48 1.96 -0.83 0.41 0.00 0.00 173.24 172.58 1xrg s GLY 32 N -2.98 0.55 0.29 3.44 0.00 -1.26 -4.49 107.32 102.87 1xrg s GLY 32 Ca 0.65 0.27 -0.28 0.00 0.00 0.00 0.00 44.72 45.35 1xrg s GLY 32 CO 0.56 3.49 1.02 1.20 0.00 0.00 0.00 173.10 179.37 1xrg s GLN 33 N 6.20 4.63 0.17 2.90 -1.52 0.45 -4.73 119.66 127.76 1xrg s GLN 33 Ca 0.85 1.60 0.09 0.00 -1.95 0.00 0.00 55.36 55.95 1xrg s GLN 33 Cb -0.23 -3.07 -0.04 0.00 -0.22 0.00 0.00 33.01 29.45 1xrg s GLN 33 CO 0.32 0.26 -0.19 0.96 -0.25 0.00 0.00 175.29 176.39 1xrg s ILE 34 N -1.30 1.88 0.00 1.08 -4.36 -1.26 -1.49 121.20 115.75 1xrg s ILE 34 Ca 0.46 -1.93 -0.03 0.00 -0.26 0.00 0.00 60.65 58.89 1xrg s ILE 34 Cb -0.27 -1.87 -0.15 0.00 1.25 0.00 0.00 42.46 41.41 1xrg s ILE 34 CO 0.34 -0.29 2.30 -0.81 0.24 0.00 0.00 174.94 176.72 1xrg n PRO 35 N 0.30 1.16 -3.18 0.37 -0.04 -1.26 -4.44 135.00 127.90 1xrg n PRO 35 Ca -0.13 -0.57 -0.39 0.00 -0.04 0.00 0.00 63.50 62.37 1xrg n PRO 35 Cb 0.57 -1.77 -0.05 0.00 -0.04 0.00 0.00 33.50 32.20 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 1.79 5.05 -0.16 0.52 -1.09 -1.26 -2.02 121.20 124.03 1xrg s ILE 36 Ca 0.38 1.23 -0.29 0.00 -2.23 0.00 0.00 60.65 59.74 1xrg s ILE 36 Cb 0.18 -3.94 -0.02 0.00 -1.58 0.00 0.00 42.46 37.10 1xrg s ILE 36 CO 0.00 0.33 1.41 0.21 -1.23 0.00 0.00 174.94 175.66 1xrg s ASN 37 N 0.42 6.78 0.47 3.58 3.84 0.24 -4.75 114.94 125.53 1xrg s ASN 37 Ca 0.32 1.78 0.18 0.00 0.21 0.00 0.00 52.86 55.35 1xrg s ASN 37 Cb -0.17 -2.54 1.16 0.00 -0.55 0.00 0.00 41.25 39.15 1xrg s ASN 37 CO 0.15 -0.89 2.03 1.55 -2.79 0.00 0.00 177.10 177.15 1xrg h PRO 38 N 8.95 0.00 0.00 0.43 0.13 -1.89 0.26 132.00 139.88 1xrg h PRO 38 Ca -0.31 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.69 1xrg h PRO 38 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1xrg h PRO 38 CO 0.98 0.16 -0.64 1.96 -0.23 0.00 0.00 178.00 180.23 1xrg h GLN 39 N 0.00 0.00 0.00 0.86 1.08 -1.93 -3.33 115.11 111.79 1xrg h GLN 39 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1xrg h GLN 39 Cb 0.31 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1xrg h GLN 39 CO 0.02 0.64 -1.56 0.25 -0.95 0.00 0.00 178.83 177.23 1xrg n THR 40 N -3.70 0.02 -1.02 -0.54 -2.24 -1.05 -4.99 114.28 100.75 1xrg n THR 40 Ca -0.01 -0.28 -0.01 0.00 -2.27 0.00 0.00 64.05 61.48 1xrg n THR 40 Cb 0.65 0.20 -0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1xrg n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xrg n GLY 41 N 1.82 0.32 3.71 3.38 0.00 0.88 -5.02 105.19 110.28 1xrg n GLY 41 Ca -0.03 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.06 2.56 0.36 1.61 0.41 -1.25 -4.85 118.70 116.47 1xrg s GLU 42 Ca 0.00 -1.12 -0.28 0.00 -0.41 0.00 0.00 54.97 53.16 1xrg s GLU 42 Cb 0.00 -2.40 -0.11 0.00 -1.78 0.00 0.00 34.13 29.83 1xrg s GLU 42 CO 0.00 0.43 1.52 0.28 -0.49 0.00 0.00 175.26 177.00 1xrg n VAL 43 N -0.49 1.76 -1.96 2.63 0.31 -1.26 -0.59 118.33 118.73 1xrg n VAL 43 Ca -0.08 -0.44 -0.34 0.00 -0.01 0.00 0.00 64.34 63.46 1xrg n VAL 43 Cb 0.56 -1.98 0.03 0.00 -0.91 0.00 0.00 33.84 31.55 1xrg n VAL 43 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1xrg s VAL 44 N -0.85 3.05 0.61 2.52 -7.23 -0.86 -4.80 120.40 112.85 1xrg s VAL 44 Ca 0.56 0.57 -0.16 0.00 -1.81 0.00 0.00 61.98 61.14 1xrg s VAL 44 Cb -0.48 -3.15 -0.03 0.00 0.56 0.00 0.00 36.38 33.29 1xrg s VAL 44 CO 0.60 -0.22 1.08 -1.81 -0.31 0.00 0.00 175.10 174.44 1xrg s ASP 45 N -2.09 5.55 0.00 4.85 1.01 -1.26 -4.88 116.67 119.85 1xrg s ASP 45 Ca 0.71 1.90 0.00 0.00 0.71 0.00 0.00 52.55 55.87 1xrg s ASP 45 Cb -0.24 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.15 1xrg s ASP 45 CO 0.35 -1.32 0.00 0.61 0.21 0.00 0.00 175.17 175.02 1xrg n GLY 46 N -0.76 -0.68 0.00 0.21 0.00 -1.26 -4.76 105.19 97.93 1xrg n GLY 46 Ca 0.09 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 3.65 0.28 -0.02 0.00 -1.26 -4.89 105.19 102.95 1xrg n GLY 47 Ca 0.00 -1.77 -0.04 0.00 0.00 0.00 0.00 46.02 44.21 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 1.24 -0.30 -0.61 6.09 -1.99 -2.16 117.51 119.79 1xrg h ILE 48 Ca 0.00 -1.02 -0.02 0.00 -1.37 0.00 0.00 64.86 62.45 1xrg h ILE 48 Cb 0.00 0.95 -0.01 0.00 0.47 0.00 0.00 36.82 38.22 1xrg h ILE 48 CO 0.00 0.35 0.11 -0.08 -3.07 0.00 0.00 178.15 175.47 1xrg h GLU 49 N 0.68 0.45 -0.27 2.19 4.81 -1.95 0.02 114.58 120.50 1xrg h GLU 49 Ca 0.13 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.14 1xrg h GLU 49 Cb 0.47 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1xrg h GLU 49 CO 0.02 0.47 -0.39 0.93 -0.73 0.00 0.00 179.01 179.31 1xrg h GLU 50 N 0.33 0.64 -0.17 1.92 3.07 -1.81 -2.44 114.58 116.11 1xrg h GLU 50 Ca 0.10 -0.32 -0.21 0.00 -0.50 0.00 0.00 59.36 58.43 1xrg h GLU 50 Cb 0.19 0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1xrg h GLU 50 CO -0.01 0.92 -0.70 1.96 -1.40 0.00 0.00 179.01 179.79 1xrg h GLN 51 N 0.53 0.77 -0.49 2.33 4.20 -1.20 -2.47 115.11 118.78 1xrg h GLN 51 Ca 0.05 -0.61 0.03 0.00 0.06 0.00 0.00 58.65 58.18 1xrg h GLN 51 Cb 0.91 0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.77 1xrg h GLN 51 CO 0.08 1.22 0.27 0.00 -0.67 0.00 0.00 178.83 179.73 1xrg h ALA 52 N 0.56 0.62 -0.05 3.87 0.00 -0.94 -0.91 119.26 122.41 1xrg h ALA 52 Ca -0.04 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1xrg h ALA 52 Cb 1.33 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1xrg h ALA 52 CO 0.15 -0.05 -0.24 -0.22 0.00 0.00 0.00 179.25 178.89 1xrg h LYS 53 N 0.54 -0.33 -0.87 0.00 3.64 -1.46 -1.96 116.57 116.14 1xrg h LYS 53 Ca 0.20 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1xrg h LYS 53 Cb 0.06 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 1xrg h LYS 53 CO -0.11 -0.22 0.54 0.37 -2.27 0.00 0.00 179.45 177.76 1xrg h GLN 54 N -0.34 1.16 -0.44 1.90 5.75 -0.95 -0.15 115.11 122.04 1xrg h GLN 54 Ca 0.08 -0.09 0.03 0.00 -0.15 0.00 0.00 58.65 58.51 1xrg h GLN 54 Cb 0.45 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.71 1xrg h GLN 54 CO -0.25 0.80 0.24 0.28 -2.65 0.00 0.00 178.83 177.25 1xrg h VAL 55 N 1.18 1.00 -0.06 2.39 2.07 -1.10 0.53 116.25 122.26 1xrg h VAL 55 Ca 0.31 -0.16 -0.14 0.00 0.82 0.00 0.00 66.70 67.53 1xrg h VAL 55 Cb -0.08 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1xrg h VAL 55 CO -0.06 0.09 -0.59 -0.07 0.02 0.00 0.00 177.57 176.95 1xrg h LEU 56 N 0.47 0.24 -0.34 2.57 3.38 -0.85 0.98 115.31 121.77 1xrg h LEU 56 Ca 0.18 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1xrg h LEU 56 Cb 0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1xrg h LEU 56 CO -0.11 0.78 0.05 -0.33 0.09 0.00 0.00 178.44 178.92 1xrg h GLU 57 N 0.16 0.56 -0.45 1.13 4.39 -0.83 0.11 114.58 119.65 1xrg h GLU 57 Ca -0.00 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1xrg h GLU 57 Cb 1.08 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 1xrg h GLU 57 CO 0.09 0.64 0.28 -0.91 -1.16 0.00 0.00 179.01 177.95 1xrg h ASN 58 N 0.39 0.53 0.03 1.42 2.35 -0.72 -1.90 115.58 117.68 1xrg h ASN 58 Ca 0.10 -0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1xrg h ASN 58 Cb 0.36 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1xrg h ASN 58 CO 0.01 0.41 -0.09 0.25 -1.65 0.00 0.00 177.43 176.36 1xrg h LEU 59 N 0.60 -0.25 -0.55 1.61 5.85 -0.63 -0.06 115.31 121.88 1xrg h LEU 59 Ca 0.16 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.02 1xrg h LEU 59 Cb -0.03 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.00 1xrg h LEU 59 CO -0.03 -0.13 -0.14 0.50 -0.34 0.00 0.00 178.44 178.30 1xrg h LYS 60 N -0.17 -0.00 -0.26 1.25 3.64 -0.65 0.33 116.57 120.71 1xrg h LYS 60 Ca 0.02 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.26 1xrg h LYS 60 Cb 0.20 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1xrg h LYS 60 CO -0.07 -0.00 -0.41 -0.91 -2.27 0.00 0.00 179.45 175.79 1xrg h ASN 61 N -0.00 0.67 0.04 4.20 2.35 -1.08 0.37 115.58 122.14 1xrg h ASN 61 Ca 0.26 -0.30 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1xrg h ASN 61 Cb 0.40 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1xrg h ASN 61 CO -0.57 1.00 -0.02 0.58 -1.65 0.00 0.00 177.43 176.77 1xrg h VAL 62 N 0.52 1.02 -0.63 2.81 2.07 -0.54 -1.68 116.25 119.81 1xrg h VAL 62 Ca 0.04 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1xrg h VAL 62 Cb 0.93 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1xrg h VAL 62 CO 0.08 0.05 0.28 -0.07 0.02 0.00 0.00 177.57 177.93 1xrg h LEU 63 N -0.15 0.85 -0.52 2.57 3.38 -0.70 -2.04 115.31 118.71 1xrg h LEU 63 Ca -0.01 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 1xrg h LEU 63 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1xrg h LEU 63 CO 0.01 0.76 -0.19 -0.33 0.09 0.00 0.00 178.44 178.78 1xrg h GLU 64 N 0.88 1.00 0.00 1.13 5.08 -0.91 0.96 114.58 122.73 1xrg h GLU 64 Ca 0.21 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1xrg h GLU 64 Cb 0.16 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1xrg h GLU 64 CO -0.02 1.09 -0.07 0.00 -1.00 0.00 0.00 179.01 179.01 1xrg h ALA 65 N 0.90 1.49 0.00 3.43 0.00 -1.01 0.30 119.26 124.37 1xrg h ALA 65 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xrg h ALA 65 Cb 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1xrg h ALA 65 CO 0.06 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1xrg n ALA 66 N -2.34 2.03 -0.72 0.00 0.00 -0.79 -4.87 120.51 113.81 1xrg n ALA 66 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1xrg n ALA 66 Cb 0.16 -1.35 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 0.70 0.60 0.00 0.00 0.00 0.09 -5.04 105.19 101.55 1xrg n GLY 67 Ca 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.61 0.82 -3.68 1.61 2.88 0.29 -4.83 113.62 111.32 1xrg n SER 68 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 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 0.17 -0.12 0.34 -3.46 1.04 -1.25 -3.81 113.70 106.60 1xrg s SER 69 Ca 0.00 -0.25 0.08 0.00 0.48 0.00 0.00 55.95 56.26 1xrg s SER 69 Cb 0.00 0.32 0.79 0.00 0.10 0.00 0.00 66.02 67.23 1xrg s SER 69 CO 0.00 -0.59 1.83 -0.07 0.98 0.00 0.00 173.24 175.40 1xrg h LEU 70 N 2.00 0.70 0.00 2.42 3.38 -1.89 -1.15 115.31 120.77 1xrg h LEU 70 Ca -0.27 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1xrg h LEU 70 Cb 1.22 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1xrg h LEU 70 CO 0.27 0.32 0.00 -0.46 0.09 0.00 0.00 178.44 178.66 1xrg n ASN 71 N -4.62 0.00 -0.29 -0.43 0.23 -1.26 -2.63 115.26 106.26 1xrg n ASN 71 Ca 0.20 -0.91 0.03 0.00 -0.53 0.00 0.00 54.58 53.36 1xrg n ASN 71 Cb 0.52 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 38.29 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 -0.94 2.62 -2.22 -3.83 5.02 -0.44 -4.99 118.16 113.37 1xrg n LYS 72 Ca 0.17 -1.66 -0.42 0.00 -2.02 0.00 0.00 58.31 54.38 1xrg n LYS 72 Cb 0.08 -1.12 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 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 -0.94 3.63 -0.17 -0.18 1.01 -1.08 -0.91 120.40 121.75 1xrg s VAL 73 Ca 0.10 1.07 0.17 0.00 0.00 0.00 0.00 61.98 63.33 1xrg s VAL 73 Cb 0.05 -3.69 -0.24 0.00 0.00 0.00 0.00 36.38 32.50 1xrg s VAL 73 CO 0.07 0.03 0.10 1.33 0.00 0.00 0.00 175.10 176.63 1xrg n VAL 74 N 4.43 1.15 -3.72 2.92 0.24 -0.19 -4.30 118.33 118.86 1xrg n VAL 74 Ca 0.12 -0.76 -0.12 0.00 -2.04 0.00 0.00 64.34 61.54 1xrg n VAL 74 Cb 0.43 -0.45 -0.11 0.00 -1.47 0.00 0.00 33.84 32.25 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 -2.55 0.40 0.16 7.34 2.47 -1.00 -1.14 119.74 125.41 1xrg s LYS 75 Ca -0.09 0.65 0.08 0.00 -1.56 0.00 0.00 55.97 55.04 1xrg s LYS 75 Cb 0.06 0.08 -0.04 0.00 -1.46 0.00 0.00 37.83 36.47 1xrg s LYS 75 CO 0.78 -0.11 -0.17 0.95 0.16 0.00 0.00 175.35 176.96 1xrg s THR 76 N 0.82 1.68 -0.10 3.43 -4.23 -0.31 0.01 115.64 116.93 1xrg s THR 76 Ca -0.05 -1.88 0.02 0.00 -1.18 0.00 0.00 61.69 58.60 1xrg s THR 76 Cb -0.06 -1.77 0.01 0.00 1.34 0.00 0.00 72.50 72.02 1xrg s THR 76 CO -0.06 -0.36 -0.18 -0.89 -0.54 0.00 0.00 174.62 172.59 1xrg s THR 77 N -2.14 1.66 -0.31 3.99 2.01 -0.46 -2.17 115.64 118.22 1xrg s THR 77 Ca 0.14 -0.76 -0.07 0.00 0.31 0.00 0.00 61.69 61.32 1xrg s THR 77 Cb -0.05 -1.48 0.02 0.00 0.01 0.00 0.00 72.50 71.00 1xrg s THR 77 CO 0.06 0.47 0.08 -0.69 -0.69 0.00 0.00 174.62 173.85 1xrg s VAL 78 N 0.76 3.88 -0.24 3.82 1.01 0.18 -1.92 120.40 127.89 1xrg s VAL 78 Ca -0.11 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 60.96 1xrg s VAL 78 Cb -0.16 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1xrg s VAL 78 CO 0.02 0.01 0.13 -0.36 0.00 0.00 0.00 175.10 174.90 1xrg s PHE 79 N 1.47 3.24 0.11 5.22 0.08 0.29 -2.21 117.98 126.18 1xrg s PHE 79 Ca 0.01 0.06 0.08 0.00 0.12 0.00 0.00 56.93 57.20 1xrg s PHE 79 Cb -0.18 -2.26 -0.04 0.00 -0.57 0.00 0.00 43.02 39.98 1xrg s PHE 79 CO 0.02 -0.05 -0.20 0.96 -0.10 0.00 0.00 175.22 175.86 1xrg s ILE 80 N 1.20 1.64 0.17 0.64 -4.36 -0.54 -1.42 121.20 118.53 1xrg s ILE 80 Ca 0.06 -1.57 0.10 0.00 -0.26 0.00 0.00 60.65 58.98 1xrg s ILE 80 Cb -0.14 -1.53 -0.09 0.00 1.25 0.00 0.00 42.46 41.94 1xrg s ILE 80 CO 0.05 -0.13 1.47 0.50 0.24 0.00 0.00 174.94 177.07 1xrg h LYS 81 N 3.98 0.00 0.00 0.37 1.63 -1.45 0.49 116.57 121.58 1xrg h LYS 81 Ca -0.45 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.15 1xrg h LYS 81 Cb 1.19 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.76 1xrg h LYS 81 CO 0.41 0.76 -0.19 -3.47 -3.45 0.00 0.00 179.45 173.51 1xrg n ASP 82 N -3.55 -0.33 0.00 4.20 -0.08 -1.26 -4.66 116.55 110.87 1xrg n ASP 82 Ca -0.00 -1.94 0.00 0.00 -1.51 0.00 0.00 54.79 51.33 1xrg n ASP 82 Cb 0.76 0.76 0.00 0.00 2.34 0.00 0.00 41.12 44.97 1xrg n ASP 82 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1xrg n ASP 84 N -2.39 0.00 -1.21 1.67 8.00 -1.26 -4.12 116.55 117.24 1xrg n ASP 84 Ca 0.03 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.58 1xrg n ASP 84 Cb 0.26 -0.04 0.24 0.00 -0.02 0.00 0.00 41.12 41.56 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 3.50 -0.16 -2.24 3.41 -1.26 -4.55 113.62 112.33 1xrg n SER 85 Ca 0.00 -2.40 -0.03 0.00 -0.26 0.00 0.00 58.87 56.18 1xrg n SER 85 Cb 0.00 -0.52 0.06 0.00 -0.26 0.00 0.00 64.21 63.49 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 2.54 0.20 -0.72 7.33 3.57 -2.01 -2.09 116.94 125.76 1xrg h PHE 86 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1xrg h PHE 86 Cb 1.18 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.87 1xrg h PHE 86 CO 0.57 0.03 0.41 0.00 -2.23 0.00 0.00 178.31 177.09 1xrg h ALA 87 N 1.36 1.38 -0.49 2.41 0.00 -1.97 0.16 119.26 122.10 1xrg h ALA 87 Ca 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1xrg h ALA 87 Cb 0.30 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1xrg h ALA 87 CO -0.30 0.53 0.18 0.87 0.00 0.00 0.00 179.25 180.53 1xrg h LYS 88 N 0.99 0.75 -0.51 0.00 1.57 -1.79 -2.16 116.57 115.42 1xrg h LYS 88 Ca 0.26 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1xrg h LYS 88 Cb -0.01 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 1xrg h LYS 88 CO -0.05 0.68 0.32 0.28 -0.57 0.00 0.00 179.45 180.12 1xrg h VAL 89 N 0.65 1.09 -0.92 0.50 2.07 -0.67 -2.63 116.25 116.34 1xrg h VAL 89 Ca 0.16 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1xrg h VAL 89 Cb 0.23 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1xrg h VAL 89 CO -0.01 0.12 0.56 0.78 0.02 0.00 0.00 177.57 179.04 1xrg h ASN 90 N 0.65 1.11 -0.26 0.57 2.35 -0.83 0.16 115.58 119.33 1xrg h ASN 90 Ca 0.20 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1xrg h ASN 90 Cb -0.02 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.05 1xrg h ASN 90 CO -0.07 0.85 0.11 -0.08 -1.65 0.00 0.00 177.43 176.59 1xrg h GLU 91 N 1.27 0.38 -0.27 0.81 4.81 -1.19 0.70 114.58 121.09 1xrg h GLU 91 Ca 0.33 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1xrg h GLU 91 Cb -0.06 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1xrg h GLU 91 CO -0.06 0.40 0.13 0.28 -0.73 0.00 0.00 179.01 179.03 1xrg h VAL 92 N 0.27 1.15 -0.78 0.32 2.07 -1.20 -3.25 116.25 114.82 1xrg h VAL 92 Ca 0.09 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.22 1xrg h VAL 92 Cb 0.16 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 1xrg h VAL 92 CO -0.01 0.15 0.48 0.22 0.02 0.00 0.00 177.57 178.44 1xrg h TYR 93 N 0.31 0.89 0.00 1.57 3.20 -0.46 -1.87 116.97 120.60 1xrg h TYR 93 Ca 0.09 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1xrg h TYR 93 Cb 0.13 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.11 1xrg h TYR 93 CO -0.02 0.47 -0.09 0.00 -1.64 0.00 0.00 178.16 176.88 1xrg h ALA 94 N 1.36 1.53 0.00 1.82 0.00 -0.90 -1.55 119.26 121.52 1xrg h ALA 94 Ca 0.33 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1xrg h ALA 94 Cb 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1xrg h ALA 94 CO -0.15 0.11 -0.07 0.87 0.00 0.00 0.00 179.25 180.01 1xrg h LYS 95 N 0.00 0.00 -0.00 0.00 1.57 -1.39 -3.28 116.57 113.47 1xrg h LYS 95 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xrg h LYS 95 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1xrg h LYS 95 CO 0.01 0.07 -0.76 0.66 -0.57 0.00 0.00 179.45 178.87 1xrg n TYR 96 N -3.47 0.00 -4.23 -1.35 4.02 -0.59 -4.97 117.16 106.57 1xrg n TYR 96 Ca -0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.72 1xrg n TYR 96 Cb 0.21 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.42 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 -2.65 1.25 0.11 -0.72 0.08 -1.22 -4.76 117.98 110.08 1xrg s PHE 97 Ca 0.10 -0.67 0.03 0.00 0.12 0.00 0.00 56.93 56.52 1xrg s PHE 97 Cb 0.15 -0.65 -0.04 0.00 -0.57 0.00 0.00 43.02 41.91 1xrg s PHE 97 CO 0.70 0.08 -0.09 -1.54 -0.10 0.00 0.00 175.22 174.28 1xrg s SER 98 N -2.77 1.44 0.30 1.36 1.04 -1.26 -4.90 113.70 108.91 1xrg s SER 98 Ca 0.11 -0.96 -0.29 0.00 0.48 0.00 0.00 55.95 55.30 1xrg s SER 98 Cb -0.01 0.04 -0.10 0.00 0.10 0.00 0.00 66.02 66.05 1xrg s SER 98 CO 0.01 -0.37 1.29 -1.61 0.98 0.00 0.00 173.24 173.54 1xrg s GLU 99 N -3.52 4.39 0.04 4.02 2.02 -1.26 -3.19 118.70 121.21 1xrg s GLU 99 Ca 0.12 2.14 -0.31 0.00 0.02 0.00 0.00 54.97 56.94 1xrg s GLU 99 Cb 0.02 -3.11 -0.06 0.00 0.10 0.00 0.00 34.13 31.08 1xrg s GLU 99 CO -0.02 -0.16 1.39 -1.25 0.02 0.00 0.00 175.26 175.24 1xrg s PRO 100 N -1.42 4.31 0.62 0.39 0.04 -1.26 -5.14 135.00 132.53 1xrg s PRO 100 Ca 0.50 1.99 -0.16 0.00 0.04 0.00 0.00 61.00 63.38 1xrg s PRO 100 Cb -0.38 -3.45 -0.02 0.00 0.04 0.00 0.00 34.50 30.69 1xrg s PRO 100 CO 0.49 -0.51 1.08 0.71 0.04 0.00 0.00 177.00 178.81 1xrg s TYR 101 N 1.86 2.82 0.69 0.56 2.02 -1.19 -5.00 117.35 119.11 1xrg s TYR 101 Ca 0.64 1.53 -0.17 0.00 -0.37 0.00 0.00 57.07 58.70 1xrg s TYR 101 Cb -0.33 -3.09 0.00 0.00 -0.40 0.00 0.00 41.96 38.15 1xrg s TYR 101 CO 0.28 -1.38 1.18 -2.30 -1.57 0.00 0.00 175.55 171.76 1xrg n PRO 102 N -2.17 0.81 -1.45 -1.71 -0.02 -1.26 -4.99 135.00 124.21 1xrg n PRO 102 Ca 0.10 0.34 -0.34 0.00 -2.02 0.00 0.00 63.50 61.57 1xrg n PRO 102 Cb 0.52 -2.42 0.09 0.00 -0.02 0.00 0.00 33.50 31.68 1xrg n PRO 102 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xrg s ALA 103 N -1.61 2.13 -0.10 3.55 0.00 -0.29 -4.87 121.76 120.57 1xrg s ALA 103 Ca 0.79 0.90 -0.17 0.00 0.00 0.00 0.00 51.96 53.48 1xrg s ALA 103 Cb -0.36 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.32 1xrg s ALA 103 CO 0.44 -1.86 0.42 0.50 0.00 0.00 0.00 175.76 175.26 1xrg s ARG 104 N -3.88 0.62 -0.04 0.00 3.52 -1.26 -1.16 118.95 116.75 1xrg s ARG 104 Ca 0.75 0.30 0.06 0.00 -0.13 0.00 0.00 55.73 56.70 1xrg s ARG 104 Cb -0.29 0.29 -0.01 0.00 -1.56 0.00 0.00 34.95 33.37 1xrg s ARG 104 CO 0.45 -0.13 -0.23 -1.12 -0.81 0.00 0.00 175.30 173.46 1xrg s SER 105 N -0.45 2.74 -0.12 -2.12 0.01 -0.92 -4.99 113.70 107.84 1xrg s SER 105 Ca -0.06 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.78 1xrg s SER 105 Cb -0.03 -0.57 0.02 0.00 0.21 0.00 0.00 66.02 65.64 1xrg s SER 105 CO 0.03 0.24 -0.15 0.00 0.41 0.00 0.00 173.24 173.77 1xrg s VAL 107 N 1.08 0.82 -0.10 0.00 -7.23 -0.94 -5.01 120.40 109.02 1xrg s VAL 107 Ca -0.04 -1.27 -0.19 0.00 -1.81 0.00 0.00 61.98 58.66 1xrg s VAL 107 Cb -0.15 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 1xrg s VAL 107 CO -0.03 -0.36 0.51 -0.70 -0.31 0.00 0.00 175.10 174.20 1xrg s GLU 108 N -1.89 4.33 0.34 4.82 2.12 -1.26 -1.46 118.70 125.70 1xrg s GLU 108 Ca -0.04 0.52 0.09 0.00 0.36 0.00 0.00 54.97 55.90 1xrg s GLU 108 Cb -0.08 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.83 1xrg s GLU 108 CO 0.01 0.18 0.06 0.14 -0.54 0.00 0.00 175.26 175.12 1xrg s VAL 109 N 0.52 2.82 0.11 3.70 -7.23 0.16 -4.92 120.40 115.56 1xrg s VAL 109 Ca 0.28 -1.86 -0.13 0.00 -1.81 0.00 0.00 61.98 58.46 1xrg s VAL 109 Cb -0.16 -2.87 -0.10 0.00 0.56 0.00 0.00 36.38 33.82 1xrg s VAL 109 CO 0.12 -0.20 1.39 0.28 -0.31 0.00 0.00 175.10 176.38 1xrg h SER 110 N 1.71 0.91 -5.00 4.85 0.02 -1.90 -3.40 113.55 110.74 1xrg h SER 110 Ca -0.43 -0.53 -0.04 0.00 -0.84 0.00 0.00 61.79 59.95 1xrg h SER 110 Cb 1.25 -0.26 -0.16 0.00 0.14 0.00 0.00 62.40 63.38 1xrg h SER 110 CO 0.65 1.26 0.18 -0.75 -1.14 0.00 0.00 176.83 177.03 1xrg s LYS 111 N -4.14 1.15 0.17 3.45 2.20 -1.26 -5.05 119.74 116.26 1xrg s LYS 111 Ca -0.11 -0.13 0.05 0.00 -0.36 0.00 0.00 55.97 55.42 1xrg s LYS 111 Cb 0.09 0.53 -0.05 0.00 -1.51 0.00 0.00 37.83 36.90 1xrg s LYS 111 CO 0.87 -0.43 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.83 1xrg s LEU 112 N -1.97 2.48 0.24 5.43 1.43 -1.26 -5.07 118.68 119.95 1xrg s LEU 112 Ca -0.05 -1.05 -0.31 0.00 -1.03 0.00 0.00 54.13 51.69 1xrg s LEU 112 Cb -0.01 -0.40 -0.14 0.00 0.03 0.00 0.00 46.19 45.68 1xrg s LEU 112 CO -0.02 -0.33 1.29 -2.65 0.23 0.00 0.00 176.35 174.88 1xrg n PRO 113 N -0.27 1.75 -2.11 1.29 -0.02 -1.26 -1.70 135.00 132.67 1xrg n PRO 113 Ca -0.09 0.62 -0.20 0.00 -2.02 0.00 0.00 63.50 61.81 1xrg n PRO 113 Cb 0.61 -2.20 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 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 1.71 -1.64 -1.47 -0.52 5.02 -1.26 -2.06 118.16 117.94 1xrg n LYS 114 Ca 0.12 1.04 -0.16 0.00 -2.02 0.00 0.00 58.31 57.29 1xrg n LYS 114 Cb 0.30 -5.60 -0.07 0.00 -0.02 0.00 0.00 35.03 29.65 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 -0.77 1.55 3.65 0.72 0.00 -0.69 -4.99 105.19 104.66 1xrg n GLY 115 Ca -0.22 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.58 2.36 -1.36 1.61 -7.23 -0.87 -4.91 120.40 107.41 1xrg s VAL 116 Ca 0.00 0.12 0.21 0.00 -1.81 0.00 0.00 61.98 60.49 1xrg s VAL 116 Cb 0.00 -2.37 -0.13 0.00 0.56 0.00 0.00 36.38 34.43 1xrg s VAL 116 CO 0.00 -0.15 0.94 0.18 -0.31 0.00 0.00 175.10 175.75 1xrg n LEU 117 N -4.25 1.37 -3.65 1.32 4.77 -1.26 -4.36 117.00 110.95 1xrg n LEU 117 Ca 0.07 -0.61 -0.14 0.00 -0.03 0.00 0.00 56.01 55.30 1xrg n LEU 117 Cb 0.54 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.55 1xrg n LEU 117 CO 0.55 0.29 0.32 -0.51 -1.33 0.00 0.00 177.39 176.70 1xrg s ILE 118 N -2.69 0.00 -0.05 -0.08 2.07 -1.26 -1.43 121.20 117.77 1xrg s ILE 118 Ca 0.12 -0.03 -0.03 0.00 -1.41 0.00 0.00 60.65 59.30 1xrg s ILE 118 Cb 0.16 -0.87 0.02 0.00 0.13 0.00 0.00 42.46 41.90 1xrg s ILE 118 CO 0.71 -0.01 0.11 -0.70 -1.91 0.00 0.00 174.94 173.14 1xrg s GLU 119 N 0.01 0.11 -0.04 3.50 2.12 -0.51 -4.36 118.70 119.53 1xrg s GLU 119 Ca -0.02 0.21 -0.00 0.00 0.36 0.00 0.00 54.97 55.51 1xrg s GLU 119 Cb -0.04 -0.02 0.03 0.00 0.26 0.00 0.00 34.13 34.36 1xrg s GLU 119 CO 0.02 -0.06 0.00 0.42 -0.54 0.00 0.00 175.26 175.10 1xrg s ILE 120 N 0.40 0.23 0.22 -3.70 1.01 -0.56 -0.55 121.20 118.26 1xrg s ILE 120 Ca -0.03 0.10 0.08 0.00 0.00 0.00 0.00 60.65 60.80 1xrg s ILE 120 Cb -0.04 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 1xrg s ILE 120 CO -0.02 0.18 0.05 -1.83 0.00 0.00 0.00 174.94 173.33 1xrg s GLU 121 N 1.33 2.52 0.00 2.79 -1.05 -0.81 -0.41 118.70 123.07 1xrg s GLU 121 Ca -0.05 -1.19 0.00 0.00 -0.15 0.00 0.00 54.97 53.58 1xrg s GLU 121 Cb -0.13 -2.36 -0.00 0.00 -0.44 0.00 0.00 34.13 31.20 1xrg s GLU 121 CO -0.02 0.41 -0.00 0.00 0.95 0.00 0.00 175.26 176.60 1xrg s ALA 122 N -2.03 0.02 -0.17 -0.84 0.00 -1.26 -1.36 121.76 116.13 1xrg s ALA 122 Ca 0.30 -0.04 -0.06 0.00 0.00 0.00 0.00 51.96 52.16 1xrg s ALA 122 Cb -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1xrg s ALA 122 CO 0.21 -0.00 0.03 0.08 0.00 0.00 0.00 175.76 176.08 1xrg s VAL 123 N -0.07 4.55 0.24 0.00 1.01 0.10 -1.77 120.40 124.46 1xrg s VAL 123 Ca -0.01 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1xrg s VAL 123 Cb -0.01 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 1xrg s VAL 123 CO -0.00 0.47 0.06 0.00 0.00 0.00 0.00 175.10 175.64 1xrg s ALA 124 N 0.32 1.68 0.29 5.51 0.00 0.11 -1.02 121.76 128.65 1xrg s ALA 124 Ca 0.01 -1.80 0.09 0.00 0.00 0.00 0.00 51.96 50.26 1xrg s ALA 124 Cb -0.13 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 1xrg s ALA 124 CO 0.01 -0.40 0.02 0.96 0.00 0.00 0.00 175.76 176.35 1xrg s ILE 125 N -3.68 3.21 0.00 0.00 -4.36 -0.09 -0.93 121.20 115.35 1xrg s ILE 125 Ca 0.34 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 58.82 1xrg s ILE 125 Cb 0.07 -2.84 0.00 0.00 1.25 0.00 0.00 42.46 40.95 1xrg s ILE 125 CO 0.11 -0.32 0.31 1.17 0.24 0.00 0.00 174.94 176.46