#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8c s ALA 2 N 0.00 3.27 -0.52 -5.12 0.00 -1.26 -4.90 121.76 113.23 1j8c s ALA 2 Ca 0.00 -1.81 -0.01 0.00 0.00 0.00 0.00 51.96 50.14 1j8c s ALA 2 Cb 0.00 -3.61 0.38 0.00 0.00 0.00 0.00 23.12 19.89 1j8c s ALA 2 CO 0.00 -2.39 2.00 -1.91 0.00 0.00 0.00 175.76 173.46 1j8c n GLU 3 N 6.90 2.33 -1.02 0.00 2.13 -1.26 -4.49 120.64 125.23 1j8c n GLU 3 Ca -0.05 -2.64 -0.15 0.00 0.66 0.00 0.00 57.16 54.98 1j8c n GLU 3 Cb 0.45 -2.04 0.20 0.00 0.27 0.00 0.00 31.44 30.33 1j8c n GLU 3 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1j8c n ASN 4 N -0.50 4.00 -3.07 4.31 4.13 -1.26 -4.77 115.26 118.10 1j8c n ASN 4 Ca 0.51 -3.28 0.00 0.00 1.68 0.00 0.00 54.58 53.49 1j8c n ASN 4 Cb 0.72 -0.77 0.00 0.00 -1.54 0.00 0.00 39.78 38.19 1j8c n ASN 4 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1j8c n GLY 5 N -0.61 -3.03 0.12 7.41 0.00 -1.26 -4.94 105.19 102.88 1j8c n GLY 5 Ca 0.46 -1.32 -0.16 0.00 0.00 0.00 0.00 46.02 45.01 1j8c n GLY 5 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1j8c h GLU 6 N 0.00 0.30 0.00 1.61 4.81 -2.01 -3.39 114.58 115.90 1j8c h GLU 6 Ca 0.00 -0.28 -0.06 0.00 -0.13 0.00 0.00 59.36 58.89 1j8c h GLU 6 Cb 0.00 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1j8c h GLU 6 CO 0.00 0.95 -1.32 0.43 -0.73 0.00 0.00 179.01 178.34 1j8c n SER 7 N -4.41 3.74 -1.13 1.04 7.64 -1.26 -5.12 113.62 114.11 1j8c n SER 7 Ca -0.09 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.94 1j8c n SER 7 Cb 0.54 0.83 -0.04 0.00 -1.01 0.00 0.00 64.21 64.52 1j8c n SER 7 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1j8c n SER 8 N -2.03 -6.57 0.00 6.43 7.64 -1.26 -5.01 113.62 112.82 1j8c n SER 8 Ca -0.06 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1j8c n SER 8 Cb 0.50 -3.58 0.00 0.00 -1.01 0.00 0.00 64.21 60.12 1j8c n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j8c n GLY 9 N -3.45 0.02 3.79 0.23 0.00 -1.26 -5.07 105.19 99.44 1j8c n GLY 9 Ca -0.00 0.49 -0.31 0.00 0.00 0.00 0.00 46.02 46.20 1j8c n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j8c s PRO 10 N 0.00 2.71 0.00 1.61 0.04 -1.26 -5.05 135.00 133.05 1j8c s PRO 10 Ca 0.00 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1j8c s PRO 10 Cb 0.00 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1j8c s PRO 10 CO 0.00 -1.29 0.00 -0.35 0.04 0.00 0.00 177.00 175.40 1j8c n PRO 11 N -3.04 0.19 0.36 0.56 -0.04 -1.26 -4.97 135.00 126.80 1j8c n PRO 11 Ca 0.09 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.38 1j8c n PRO 11 Cb 0.53 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.91 1j8c n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j8c h ARG 12 N 0.00 -0.88 -7.52 0.54 2.47 -2.08 -3.44 114.38 103.47 1j8c h ARG 12 Ca 0.00 0.06 -0.42 0.00 -1.26 0.00 0.00 59.98 58.36 1j8c h ARG 12 Cb 0.00 0.20 0.19 0.00 -1.65 0.00 0.00 29.97 28.71 1j8c h ARG 12 CO 0.00 -0.56 0.20 -1.25 0.56 0.00 0.00 179.97 178.93 1j8c s PRO 13 N -5.42 -1.00 0.00 0.04 0.04 -1.26 -5.03 135.00 122.37 1j8c s PRO 13 Ca -0.16 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 60.63 1j8c s PRO 13 Cb 0.02 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.93 1j8c s PRO 13 CO 0.55 -3.53 0.00 0.45 0.04 0.00 0.00 177.00 174.51 1j8c n SER 14 N -4.60 0.82 -1.13 6.66 2.88 -1.26 -5.02 113.62 111.96 1j8c n SER 14 Ca 0.15 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.84 1j8c n SER 14 Cb 0.60 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.01 1j8c n SER 14 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1j8c n ARG 15 N -1.93 -2.26 0.00 -1.46 1.74 -1.26 -5.05 116.66 106.44 1j8c n ARG 15 Ca 0.00 1.55 0.00 0.00 -0.77 0.00 0.00 57.85 58.63 1j8c n ARG 15 Cb 0.13 -2.78 0.00 0.00 -1.02 0.00 0.00 32.46 28.79 1j8c n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j8c n GLY 16 N -3.46 1.49 2.83 -0.13 0.00 -1.26 -5.01 105.19 99.65 1j8c n GLY 16 Ca -0.00 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1j8c n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j8c n PRO 17 N 0.00 2.03 0.00 1.61 -0.04 -1.26 -4.81 135.00 132.53 1j8c n PRO 17 Ca 0.00 -1.83 0.00 0.00 -0.04 0.00 0.00 63.50 61.63 1j8c n PRO 17 Cb 0.00 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 30.67 1j8c n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j8c n ALA 18 N 5.90 0.00 -1.25 0.55 0.00 -1.26 -4.90 120.51 119.55 1j8c n ALA 18 Ca 0.50 0.00 0.16 0.00 0.00 0.00 0.00 53.44 54.10 1j8c n ALA 18 Cb 0.30 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.70 1j8c n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j8c n ALA 19 N 3.73 -3.48 0.00 0.00 0.00 -1.26 -4.92 120.51 114.58 1j8c n ALA 19 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1j8c n ALA 19 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1j8c n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j8c n ALA 20 N -2.61 2.42 0.13 0.00 0.00 -1.26 -5.04 120.51 114.14 1j8c n ALA 20 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1j8c n ALA 20 Cb 0.65 0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.32 1j8c n ALA 20 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1j8c n GLN 21 N -2.26 0.00 -2.30 0.00 0.00 -1.26 -5.07 117.38 106.48 1j8c n GLN 21 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.58 1j8c n GLN 21 Cb 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.43 1j8c n GLN 21 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1j8c s GLY 22 N -4.68 2.38 -0.46 1.69 0.00 -1.26 -4.95 107.32 100.04 1j8c s GLY 22 Ca 0.00 1.00 0.08 0.00 0.00 0.00 0.00 44.72 45.80 1j8c s GLY 22 CO 0.00 2.07 0.98 -1.26 0.00 0.00 0.00 173.10 174.90 1j8c n SER 23 N 3.27 3.66 -4.74 1.64 2.88 -1.26 -4.95 113.62 114.13 1j8c n SER 23 Ca 0.08 -3.47 -0.42 0.00 -1.33 0.00 0.00 58.87 53.73 1j8c n SER 23 Cb 0.44 -0.52 -0.03 0.00 -0.75 0.00 0.00 64.21 63.35 1j8c n SER 23 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j8c s ALA 24 N -3.32 3.63 0.29 -1.46 0.00 -1.26 -5.02 121.76 114.62 1j8c s ALA 24 Ca 0.44 1.26 0.09 0.00 0.00 0.00 0.00 51.96 53.76 1j8c s ALA 24 Cb 0.36 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 1j8c s ALA 24 CO -0.12 -0.69 0.02 0.00 0.00 0.00 0.00 175.76 174.97 1j8c s ALA 25 N 0.32 3.22 0.08 0.00 0.00 -1.26 -5.14 121.76 118.99 1j8c s ALA 25 Ca 0.61 -1.72 0.08 0.00 0.00 0.00 0.00 51.96 50.92 1j8c s ALA 25 Cb -0.40 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 1j8c s ALA 25 CO 0.39 0.20 -0.17 0.00 0.00 0.00 0.00 175.76 176.18 1j8c s ALA 26 N -2.37 2.69 -0.06 0.00 0.00 -1.26 -5.05 121.76 115.71 1j8c s ALA 26 Ca 0.33 -1.26 -0.22 0.00 0.00 0.00 0.00 51.96 50.81 1j8c s ALA 26 Cb -0.05 -0.73 -0.17 0.00 0.00 0.00 0.00 23.12 22.17 1j8c s ALA 26 CO 0.20 0.59 0.85 -1.00 0.00 0.00 0.00 175.76 176.41 1j8c h PRO 27 N 4.06 -0.14 0.00 0.00 0.13 -2.07 -3.48 132.00 130.51 1j8c h PRO 27 Ca -0.49 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1j8c h PRO 27 Cb 1.16 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1j8c h PRO 27 CO 0.48 0.36 0.00 0.00 -0.23 0.00 0.00 178.00 178.61 1j8c n ALA 28 N -2.56 0.00 -3.06 -0.56 0.00 -1.26 -5.09 120.51 107.98 1j8c n ALA 28 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.21 1j8c n ALA 28 Cb 0.28 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.75 1j8c n ALA 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1j8c n GLU 29 N -2.01 -2.22 0.00 0.00 -0.58 -1.26 -4.94 120.64 109.62 1j8c n GLU 29 Ca 0.00 1.89 0.00 0.00 -0.42 0.00 0.00 57.16 58.63 1j8c n GLU 29 Cb 0.00 -4.09 0.00 0.00 -0.57 0.00 0.00 31.44 26.78 1j8c n GLU 29 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1j8c n PRO 30 N 0.06 0.00 -4.34 3.49 -0.04 -1.26 -4.51 135.00 128.39 1j8c n PRO 30 Ca 0.03 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.11 1j8c n PRO 30 Cb 0.46 -0.13 -0.05 0.00 -0.04 0.00 0.00 33.50 33.73 1j8c n PRO 30 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1j8c n LYS 31 N 0.00 -2.04 -1.66 0.54 5.02 -1.26 -2.67 118.16 116.09 1j8c n LYS 31 Ca 0.00 0.26 -0.45 0.00 -2.02 0.00 0.00 58.31 56.11 1j8c n LYS 31 Cb 0.00 -4.79 -0.04 0.00 -0.02 0.00 0.00 35.03 30.18 1j8c n LYS 31 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1j8c n ILE 32 N -4.28 0.65 -3.12 -0.18 -0.00 -1.26 -2.62 119.36 108.56 1j8c n ILE 32 Ca 0.04 -0.17 -0.31 0.00 -0.00 0.00 0.00 62.75 62.31 1j8c n ILE 32 Cb 0.50 -2.18 -0.05 0.00 -0.00 0.00 0.00 39.64 37.92 1j8c n ILE 32 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.55 176.82 1j8c s ILE 33 N 4.83 4.82 0.12 1.39 -4.36 0.93 -4.75 121.20 124.18 1j8c s ILE 33 Ca 0.92 0.61 -0.13 0.00 -0.26 0.00 0.00 60.65 61.79 1j8c s ILE 33 Cb -0.52 -3.67 -0.07 0.00 1.25 0.00 0.00 42.46 39.45 1j8c s ILE 33 CO 0.45 -0.30 0.50 -0.54 0.24 0.00 0.00 174.94 175.29 1j8c s LYS 34 N -3.33 3.92 -0.00 0.37 1.02 -1.26 -2.73 119.74 117.73 1j8c s LYS 34 Ca 0.50 0.40 0.00 0.00 0.02 0.00 0.00 55.97 56.90 1j8c s LYS 34 Cb -0.10 -2.97 -0.00 0.00 -0.52 0.00 0.00 37.83 34.23 1j8c s LYS 34 CO 0.25 0.52 -0.02 0.14 -0.92 0.00 0.00 175.35 175.32 1j8c s VAL 35 N -1.42 0.12 -0.40 3.17 -7.23 -0.97 -1.37 120.40 112.30 1j8c s VAL 35 Ca 0.35 -0.09 -0.06 0.00 -1.81 0.00 0.00 61.98 60.37 1j8c s VAL 35 Cb -0.15 -0.11 0.08 0.00 0.56 0.00 0.00 36.38 36.76 1j8c s VAL 35 CO 0.19 0.02 0.21 -0.89 -0.31 0.00 0.00 175.10 174.31 1j8c s THR 36 N -0.08 3.80 -0.17 5.32 2.01 -0.22 -0.77 115.64 125.52 1j8c s THR 36 Ca 0.00 -1.58 -0.15 0.00 0.31 0.00 0.00 61.69 60.27 1j8c s THR 36 Cb -0.01 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 1j8c s THR 36 CO -0.00 -0.50 0.36 -0.69 -0.69 0.00 0.00 174.62 173.10 1j8c s VAL 37 N 1.32 5.25 -0.26 3.82 1.01 -0.93 -2.46 120.40 128.16 1j8c s VAL 37 Ca 0.03 0.66 -0.10 0.00 0.00 0.00 0.00 61.98 62.57 1j8c s VAL 37 Cb -0.23 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 1j8c s VAL 37 CO -0.00 0.32 0.16 -0.75 0.00 0.00 0.00 175.10 174.83 1j8c s LYS 38 N 0.87 3.97 0.36 2.72 2.20 -1.06 -2.61 119.74 126.19 1j8c s LYS 38 Ca 0.19 -0.32 0.08 0.00 -0.36 0.00 0.00 55.97 55.56 1j8c s LYS 38 Cb -0.14 -3.55 -0.05 0.00 -1.51 0.00 0.00 37.83 32.58 1j8c s LYS 38 CO 0.07 -0.06 0.12 0.95 -0.36 0.00 0.00 175.35 176.06 1j8c s THR 39 N 1.40 2.66 -0.91 3.43 -4.23 -0.90 -2.01 115.64 115.09 1j8c s THR 39 Ca 0.07 -1.78 -0.08 0.00 -1.18 0.00 0.00 61.69 58.72 1j8c s THR 39 Cb -0.15 -2.93 -0.06 0.00 1.34 0.00 0.00 72.50 70.70 1j8c s THR 39 CO 0.07 -0.13 2.09 -0.81 -0.54 0.00 0.00 174.62 175.30 1j8c n PRO 40 N -1.12 2.03 0.00 3.99 -0.04 -1.26 -2.91 135.00 135.69 1j8c n PRO 40 Ca -0.03 -1.52 0.00 0.00 -0.04 0.00 0.00 63.50 61.92 1j8c n PRO 40 Cb 0.63 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1j8c n PRO 40 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1j8c n LYS 41 N 4.56 0.00 -1.34 0.54 4.81 -1.26 -5.16 118.16 120.30 1j8c n LYS 41 Ca 0.45 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1j8c n LYS 41 Cb 0.17 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.22 1j8c n LYS 41 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1j8c n GLU 42 N -0.95 0.00 -4.89 1.64 1.02 -1.15 -5.16 120.64 111.17 1j8c n GLU 42 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 1j8c n GLU 42 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.25 1j8c n GLU 42 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1j8c s LYS 43 N -1.71 2.52 -0.02 3.49 2.20 -1.26 -2.11 119.74 122.84 1j8c s LYS 43 Ca 0.00 -0.69 0.01 0.00 -0.36 0.00 0.00 55.97 54.93 1j8c s LYS 43 Cb 0.00 -1.97 0.01 0.00 -1.51 0.00 0.00 37.83 34.35 1j8c s LYS 43 CO 0.00 0.09 -0.05 -1.21 -0.36 0.00 0.00 175.35 173.82 1j8c s GLU 44 N 0.56 0.61 0.22 4.03 0.41 -1.07 -5.03 118.70 118.43 1j8c s GLU 44 Ca -0.15 -0.15 -0.08 0.00 -0.41 0.00 0.00 54.97 54.19 1j8c s GLU 44 Cb -0.17 -0.62 -0.06 0.00 -1.78 0.00 0.00 34.13 31.49 1j8c s GLU 44 CO 0.05 0.02 0.51 -2.00 -0.49 0.00 0.00 175.26 173.36 1j8c s GLU 45 N 0.39 3.73 0.03 1.61 2.12 -1.26 -2.18 118.70 123.13 1j8c s GLU 45 Ca -0.05 0.14 0.05 0.00 0.36 0.00 0.00 54.97 55.48 1j8c s GLU 45 Cb -0.08 -2.69 -0.02 0.00 0.26 0.00 0.00 34.13 31.59 1j8c s GLU 45 CO -0.00 0.33 -0.15 -0.06 -0.54 0.00 0.00 175.26 174.84 1j8c s PHE 46 N -1.83 1.32 -0.21 5.30 0.40 0.05 -4.96 117.98 118.05 1j8c s PHE 46 Ca 0.45 -0.33 -0.10 0.00 -0.60 0.00 0.00 56.93 56.36 1j8c s PHE 46 Cb -0.11 -0.80 -0.05 0.00 0.51 0.00 0.00 43.02 42.57 1j8c s PHE 46 CO 0.24 0.03 0.13 0.00 0.70 0.00 0.00 175.22 176.32 1j8c s ALA 47 N -0.71 3.64 0.00 5.36 0.00 -1.26 -2.30 121.76 126.49 1j8c s ALA 47 Ca 0.03 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 1j8c s ALA 47 Cb -0.07 -2.20 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 1j8c s ALA 47 CO 0.01 0.05 0.02 0.14 0.00 0.00 0.00 175.76 175.99 1j8c s VAL 48 N 0.58 0.06 -0.03 0.00 -7.23 -1.10 -4.99 120.40 107.69 1j8c s VAL 48 Ca 0.07 -0.52 -0.30 0.00 -1.81 0.00 0.00 61.98 59.43 1j8c s VAL 48 Cb -0.12 -0.21 -0.06 0.00 0.56 0.00 0.00 36.38 36.55 1j8c s VAL 48 CO 0.00 -0.28 1.57 -2.16 -0.31 0.00 0.00 175.10 173.92 1j8c s PRO 49 N -0.86 4.21 0.21 4.82 0.04 -1.26 -0.05 135.00 142.11 1j8c s PRO 49 Ca -0.09 2.13 0.13 0.00 0.04 0.00 0.00 61.00 63.20 1j8c s PRO 49 Cb -0.06 -3.81 0.77 0.00 0.04 0.00 0.00 34.50 31.44 1j8c s PRO 49 CO -0.00 -0.76 0.87 -0.85 0.04 0.00 0.00 177.00 176.31 1j8c n GLU 50 N 6.42 -0.03 -1.53 4.56 -0.00 -1.08 0.35 120.64 129.34 1j8c n GLU 50 Ca 0.16 0.75 -0.28 0.00 -0.00 0.00 0.00 57.16 57.78 1j8c n GLU 50 Cb 0.43 -1.37 -0.04 0.00 -0.00 0.00 0.00 31.44 30.45 1j8c n GLU 50 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1j8c n ASN 51 N -4.14 6.63 -4.20 -1.84 6.94 -1.26 -4.41 115.26 112.97 1j8c n ASN 51 Ca 0.21 -3.30 -0.35 0.00 -0.02 0.00 0.00 54.58 51.13 1j8c n ASN 51 Cb 0.75 -1.20 -0.14 0.00 -2.36 0.00 0.00 39.78 36.83 1j8c n ASN 51 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1j8c s SER 52 N 0.12 4.63 0.54 0.53 0.15 0.16 -5.09 113.70 114.73 1j8c s SER 52 Ca 0.57 -1.03 -0.21 0.00 0.70 0.00 0.00 55.95 55.99 1j8c s SER 52 Cb 0.39 -1.70 -0.05 0.00 -1.71 0.00 0.00 66.02 62.94 1j8c s SER 52 CO -0.24 -0.19 1.23 -0.44 1.20 0.00 0.00 173.24 174.80 1j8c s SER 53 N 1.31 5.52 0.40 5.45 0.01 -1.26 -4.58 113.70 120.55 1j8c s SER 53 Ca -0.02 2.46 0.11 0.00 1.31 0.00 0.00 55.95 59.81 1j8c s SER 53 Cb -0.18 -2.61 0.92 0.00 0.21 0.00 0.00 66.02 64.36 1j8c s SER 53 CO -0.02 -1.37 1.96 0.58 0.41 0.00 0.00 173.24 174.79 1j8c h VAL 54 N 1.34 0.92 -0.83 3.43 2.07 -1.78 -2.15 116.25 119.25 1j8c h VAL 54 Ca -0.50 -0.19 0.19 0.00 0.82 0.00 0.00 66.70 67.02 1j8c h VAL 54 Cb 1.28 0.34 -0.12 0.00 -1.52 0.00 0.00 31.29 31.27 1j8c h VAL 54 CO 0.57 0.10 0.31 1.56 0.02 0.00 0.00 177.57 180.14 1j8c h GLN 55 N 0.54 0.36 0.21 1.57 1.08 -1.90 1.08 115.11 118.05 1j8c h GLN 55 Ca 0.31 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.48 1j8c h GLN 55 Cb 0.49 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1j8c h GLN 55 CO -0.10 0.24 -0.10 0.37 -0.95 0.00 0.00 178.83 178.29 1j8c h GLN 56 N 0.37 -0.27 -0.69 1.46 4.15 -1.75 -2.90 115.11 115.47 1j8c h GLN 56 Ca 0.50 0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.95 1j8c h GLN 56 Cb 0.89 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.61 1j8c h GLN 56 CO -0.51 0.09 0.46 0.35 -1.93 0.00 0.00 178.83 177.29 1j8c h PHE 57 N -0.70 0.86 -0.74 3.99 3.57 -1.30 -1.70 116.94 120.92 1j8c h PHE 57 Ca -0.03 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1j8c h PHE 57 Cb 0.49 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 1j8c h PHE 57 CO 0.05 0.54 0.44 0.87 -2.23 0.00 0.00 178.31 177.98 1j8c h LYS 58 N 0.93 0.81 0.00 1.11 1.57 0.12 -0.78 116.57 120.33 1j8c h LYS 58 Ca 0.26 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1j8c h LYS 58 Cb -0.09 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 1j8c h LYS 58 CO -0.06 0.53 -0.26 1.49 -0.57 0.00 0.00 179.45 180.58 1j8c h GLU 59 N 0.83 0.00 -0.26 3.15 4.22 -1.20 -3.25 114.58 118.07 1j8c h GLU 59 Ca 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.75 1j8c h GLU 59 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1j8c h GLU 59 CO -0.16 0.26 0.13 0.00 -2.18 0.00 0.00 179.01 177.06 1j8c h ALA 60 N 1.74 0.34 -0.96 2.92 0.00 -0.26 -2.68 119.26 120.36 1j8c h ALA 60 Ca -0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1j8c h ALA 60 Cb 1.01 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1j8c h ALA 60 CO 0.03 -0.10 0.58 0.82 0.00 0.00 0.00 179.25 180.59 1j8c h ILE 61 N 0.30 1.26 -0.18 0.00 2.04 -1.52 -1.56 117.51 117.85 1j8c h ILE 61 Ca 0.09 -0.55 0.05 0.00 1.00 0.00 0.00 64.86 65.45 1j8c h ILE 61 Cb 0.11 -0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.04 1j8c h ILE 61 CO -0.01 0.27 -0.17 -1.28 0.00 0.00 0.00 178.15 176.96 1j8c h SER 62 N 1.32 -0.52 0.27 1.72 0.87 -1.54 1.10 113.55 116.76 1j8c h SER 62 Ca 0.34 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.99 1j8c h SER 62 Cb -0.07 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1j8c h SER 62 CO -0.07 -0.21 -0.13 0.11 -0.53 0.00 0.00 176.83 176.00 1j8c h LYS 63 N -0.18 -0.35 0.17 2.24 1.79 -1.28 0.11 116.57 119.06 1j8c h LYS 63 Ca 0.11 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 1j8c h LYS 63 Cb 0.35 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1j8c h LYS 63 CO -0.29 -0.01 -0.08 0.00 -1.08 0.00 0.00 179.45 177.99 1j8c h ARG 64 N -0.79 -0.22 -0.32 3.15 2.47 -1.21 -3.30 114.38 114.16 1j8c h ARG 64 Ca -0.04 0.01 -0.11 0.00 -1.26 0.00 0.00 59.98 58.58 1j8c h ARG 64 Cb 0.51 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 1j8c h ARG 64 CO 0.06 0.21 -0.28 0.35 0.56 0.00 0.00 179.97 180.87 1j8c h PHE 65 N -0.84 0.74 -3.89 3.04 3.04 0.11 -3.48 116.94 115.64 1j8c h PHE 65 Ca -0.02 -0.18 0.00 0.00 3.98 0.00 0.00 57.97 61.75 1j8c h PHE 65 Cb 0.52 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.86 1j8c h PHE 65 CO 0.08 0.85 -0.12 1.17 -2.02 0.00 0.00 178.31 178.28 1j8c n LYS 66 N -4.09 -0.75 0.00 1.11 3.00 0.39 -4.99 118.16 112.83 1j8c n LYS 66 Ca -0.00 1.03 0.00 0.00 -0.00 0.00 0.00 58.31 59.34 1j8c n LYS 66 Cb 0.45 -3.12 0.00 0.00 0.00 0.00 0.00 35.03 32.35 1j8c n LYS 66 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1j8c n SER 67 N -0.77 0.00 -4.75 3.14 2.88 -1.22 -5.04 113.62 107.87 1j8c n SER 67 Ca 0.03 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.27 1j8c n SER 67 Cb 0.31 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.89 1j8c n SER 67 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1j8c s GLN 68 N 1.63 1.50 0.25 -1.46 -1.52 -1.26 -4.78 119.66 114.02 1j8c s GLN 68 Ca 0.00 0.75 0.00 0.00 -1.95 0.00 0.00 55.36 54.16 1j8c s GLN 68 Cb 0.00 -1.84 0.00 0.00 -0.22 0.00 0.00 33.01 30.95 1j8c s GLN 68 CO 0.00 -2.05 0.00 2.41 -0.25 0.00 0.00 175.29 175.40 1j8c n THR 69 N -3.74 0.23 0.00 -0.19 -1.04 -1.26 -4.54 114.28 103.74 1j8c n THR 69 Ca 0.07 0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1j8c n THR 69 Cb 0.56 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 1j8c n THR 69 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1j8c n ASP 70 N -3.47 0.00 0.25 8.00 8.00 -1.26 -2.39 116.55 125.67 1j8c n ASP 70 Ca 0.00 0.89 0.17 0.00 0.71 0.00 0.00 54.79 56.55 1j8c n ASP 70 Cb 0.00 -0.39 0.87 0.00 -0.02 0.00 0.00 41.12 41.59 1j8c n ASP 70 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1j8c h GLN 71 N 0.00 0.00 -6.61 -1.24 4.20 -1.93 -3.42 115.11 106.11 1j8c h GLN 71 Ca 0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 1j8c h GLN 71 Cb 0.00 0.00 0.05 0.00 0.30 0.00 0.00 27.48 27.83 1j8c h GLN 71 CO 0.00 0.00 1.05 -0.11 -0.67 0.00 0.00 178.83 179.10 1j8c n LEU 72 N -3.77 4.02 -3.94 1.46 7.94 -1.01 0.20 117.00 121.90 1j8c n LEU 72 Ca -0.00 1.04 -0.09 0.00 -1.11 0.00 0.00 56.01 55.84 1j8c n LEU 72 Cb 0.23 -1.57 -0.06 0.00 0.53 0.00 0.00 43.42 42.56 1j8c n LEU 72 CO 0.27 0.18 0.13 -0.69 -1.11 0.00 0.00 177.39 176.17 1j8c s VAL 73 N 1.67 0.02 -0.08 1.96 1.01 0.12 -4.86 120.40 120.25 1j8c s VAL 73 Ca 0.77 -1.28 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1j8c s VAL 73 Cb -0.50 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1j8c s VAL 73 CO 0.34 -0.11 -0.21 -0.76 0.00 0.00 0.00 175.10 174.36 1j8c s LEU 74 N -2.98 2.30 -0.60 3.92 1.02 -1.12 -0.36 118.68 120.86 1j8c s LEU 74 Ca 0.18 -0.44 -0.21 0.00 0.02 0.00 0.00 54.13 53.68 1j8c s LEU 74 Cb 0.01 -1.46 0.08 0.00 0.02 0.00 0.00 46.19 44.83 1j8c s LEU 74 CO 0.04 0.22 0.83 -0.63 0.02 0.00 0.00 176.35 176.82 1j8c s ILE 75 N 0.01 4.58 -0.80 -0.59 -1.09 0.17 0.16 121.20 123.63 1j8c s ILE 75 Ca -0.07 -0.54 -0.10 0.00 -2.23 0.00 0.00 60.65 57.71 1j8c s ILE 75 Cb -0.15 -4.55 -0.08 0.00 -1.58 0.00 0.00 42.46 36.10 1j8c s ILE 75 CO 0.05 -1.22 1.97 0.33 -1.23 0.00 0.00 174.94 174.84 1j8c n PHE 76 N 7.00 1.37 -2.05 3.97 7.35 -0.83 -2.74 117.46 131.53 1j8c n PHE 76 Ca -0.06 -1.79 -0.11 0.00 -0.76 0.00 0.00 57.45 54.73 1j8c n PHE 76 Cb 0.45 -1.59 -0.02 0.00 0.35 0.00 0.00 39.48 38.67 1j8c n PHE 76 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1j8c n ALA 77 N 5.17 -0.58 0.00 3.13 0.00 -1.26 -2.59 120.51 124.38 1j8c n ALA 77 Ca 0.42 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1j8c n ALA 77 Cb 0.19 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1j8c n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j8c n GLY 78 N -0.57 2.97 0.00 0.00 0.00 -1.26 -5.13 105.19 101.20 1j8c n GLY 78 Ca -0.12 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1j8c n GLY 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j8c n LYS 79 N 0.00 0.50 -3.93 1.61 5.02 -1.07 -5.05 118.16 115.24 1j8c n LYS 79 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 1j8c n LYS 79 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 34.86 1j8c n LYS 79 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1j8c s ILE 80 N -0.40 2.11 -1.14 -0.18 -0.00 -1.26 -1.96 121.20 118.37 1j8c s ILE 80 Ca 0.00 -2.54 -0.25 0.00 -0.00 0.00 0.00 60.65 57.86 1j8c s ILE 80 Cb 0.00 -2.52 -0.16 0.00 -0.00 0.00 0.00 42.46 39.78 1j8c s ILE 80 CO 0.00 -0.70 2.02 -0.11 -0.00 0.00 0.00 174.94 176.15 1j8c n LEU 81 N 3.91 2.27 0.00 0.37 7.94 0.41 -4.60 117.00 127.30 1j8c n LEU 81 Ca 0.04 -2.86 0.00 0.00 -1.11 0.00 0.00 56.01 52.08 1j8c n LEU 81 Cb 0.38 -1.74 0.00 0.00 0.53 0.00 0.00 43.42 42.60 1j8c n LEU 81 CO 0.24 -2.69 0.00 1.17 -1.11 0.00 0.00 177.39 175.00 1j8c n LYS 82 N 8.20 0.00 0.13 1.96 4.81 -1.26 -2.80 118.16 129.21 1j8c n LYS 82 Ca 0.43 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 58.00 1j8c n LYS 82 Cb 0.47 0.00 0.48 0.00 0.02 0.00 0.00 35.03 36.00 1j8c n LYS 82 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1j8c n ASP 83 N 0.00 0.75 0.01 3.14 5.68 -1.26 -2.91 116.55 121.95 1j8c n ASP 83 Ca 0.00 0.65 0.08 0.00 -0.50 0.00 0.00 54.79 55.03 1j8c n ASP 83 Cb 0.00 -0.82 0.50 0.00 -1.14 0.00 0.00 41.12 39.66 1j8c n ASP 83 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1j8c h GLN 84 N 0.00 0.38 -4.13 0.11 5.75 -1.95 -3.44 115.11 111.82 1j8c h GLN 84 Ca 0.00 -0.02 -0.14 0.00 -0.15 0.00 0.00 58.65 58.34 1j8c h GLN 84 Cb 0.46 -0.08 -0.14 0.00 1.07 0.00 0.00 27.48 28.79 1j8c h GLN 84 CO 0.00 0.25 -0.49 -0.51 -2.65 0.00 0.00 178.83 175.43 1j8c s ASP 85 N -6.55 0.19 0.21 -0.69 1.01 -1.15 -5.16 116.67 104.54 1j8c s ASP 85 Ca -0.07 -1.01 -0.03 0.00 0.71 0.00 0.00 52.55 52.15 1j8c s ASP 85 Cb 0.18 0.35 -0.05 0.00 1.01 0.00 0.00 42.92 44.42 1j8c s ASP 85 CO 0.73 -0.79 0.43 0.42 0.21 0.00 0.00 175.17 176.17 1j8c s THR 86 N -3.99 5.15 0.07 -1.27 -4.23 -1.26 -4.45 115.64 105.65 1j8c s THR 86 Ca 0.19 -0.15 -0.20 0.00 -1.18 0.00 0.00 61.69 60.34 1j8c s THR 86 Cb 0.05 -3.71 -0.10 0.00 1.34 0.00 0.00 72.50 70.08 1j8c s THR 86 CO -0.01 -0.16 1.49 -0.07 -0.54 0.00 0.00 174.62 175.33 1j8c h LEU 87 N 2.11 0.36 -2.36 4.79 4.07 -1.89 -1.63 115.31 120.76 1j8c h LEU 87 Ca -0.47 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.16 1j8c h LEU 87 Cb 1.18 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1j8c h LEU 87 CO 0.69 0.59 0.00 0.16 -1.08 0.00 0.00 178.44 178.80 1j8c h ILE 88 N 0.11 0.00 0.00 1.22 -0.00 -1.77 0.18 117.51 117.25 1j8c h ILE 88 Ca 0.06 -0.18 0.00 0.00 -0.00 0.00 0.00 64.86 64.74 1j8c h ILE 88 Cb 0.42 1.14 0.00 0.00 -0.00 0.00 0.00 36.82 38.38 1j8c h ILE 88 CO 0.01 0.00 -0.89 -0.61 -0.00 0.00 0.00 178.15 176.67 1j8c h GLN 89 N 0.00 0.00 0.00 0.16 4.15 -1.68 -3.46 115.11 114.28 1j8c h GLN 89 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1j8c h GLN 89 Cb 0.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1j8c h GLN 89 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 178.83 178.48 1j8c n HIS 90 N -2.56 0.00 0.02 3.99 -0.00 -0.52 -4.94 115.22 111.22 1j8c n HIS 90 Ca 0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.62 1j8c n HIS 90 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.46 1j8c n HIS 90 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 1j8c h GLY 91 N 0.00 0.01 -2.89 1.57 0.00 -0.66 -3.45 103.07 97.64 1j8c h GLY 91 Ca 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 1j8c h GLY 91 CO 0.00 -0.05 -0.24 -0.26 0.00 0.00 0.00 176.54 175.99 1j8c s ILE 92 N -6.19 0.08 -0.07 2.60 -5.25 0.51 -4.90 121.20 107.98 1j8c s ILE 92 Ca -0.13 -1.10 0.06 0.00 -0.99 0.00 0.00 60.65 58.48 1j8c s ILE 92 Cb 0.08 -1.55 -0.08 0.00 2.95 0.00 0.00 42.46 43.85 1j8c s ILE 92 CO 0.67 -0.37 0.02 1.41 -1.79 0.00 0.00 174.94 174.87 1j8c n HIS 93 N -0.19 0.00 0.00 1.37 8.25 -1.26 -3.84 115.22 119.55 1j8c n HIS 93 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1j8c n HIS 93 Cb 0.63 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1j8c n HIS 93 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1j8c n ASP 94 N -2.30 0.00 0.00 0.41 2.03 -1.26 -4.96 116.55 110.47 1j8c n ASP 94 Ca -0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.19 1j8c n ASP 94 Cb 0.72 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.12 1j8c n ASP 94 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j8c n GLY 95 N 0.00 0.58 3.73 0.27 0.00 -0.47 -4.50 105.19 104.80 1j8c n GLY 95 Ca 0.00 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 1j8c n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j8c s LEU 96 N 0.00 3.02 0.03 0.99 2.01 -1.24 -4.92 118.68 118.57 1j8c s LEU 96 Ca 0.00 -1.16 0.06 0.00 0.01 0.00 0.00 54.13 53.04 1j8c s LEU 96 Cb 0.00 -1.31 -0.03 0.00 0.01 0.00 0.00 46.19 44.85 1j8c s LEU 96 CO 0.00 -0.58 -0.16 0.28 1.01 0.00 0.00 176.35 176.90 1j8c s THR 97 N -2.64 2.93 0.04 5.49 -1.32 -1.26 -1.06 115.64 117.82 1j8c s THR 97 Ca 0.38 -1.09 -0.09 0.00 -1.21 0.00 0.00 61.69 59.67 1j8c s THR 97 Cb 0.04 -2.24 0.00 0.00 -1.51 0.00 0.00 72.50 68.80 1j8c s THR 97 CO 0.21 0.36 0.19 -0.69 -2.21 0.00 0.00 174.62 172.49 1j8c s VAL 98 N -0.92 0.11 0.13 5.08 1.01 -1.03 -4.77 120.40 120.01 1j8c s VAL 98 Ca 0.15 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 1j8c s VAL 98 Cb -0.11 -0.91 -0.07 0.00 0.00 0.00 0.00 36.38 35.29 1j8c s VAL 98 CO 0.05 -0.49 0.53 -2.28 0.00 0.00 0.00 175.10 172.90 1j8c s HIS 99 N -2.58 3.62 -0.26 5.22 2.46 -1.11 -2.57 115.29 120.08 1j8c s HIS 99 Ca -0.05 1.04 -0.10 0.00 0.47 0.00 0.00 55.06 56.42 1j8c s HIS 99 Cb -0.01 -2.35 -0.05 0.00 -0.13 0.00 0.00 32.58 30.05 1j8c s HIS 99 CO -0.04 0.46 0.15 -1.17 -2.47 0.00 0.00 174.74 171.67 1j8c s LEU 100 N -1.85 3.92 0.03 8.88 2.96 -0.85 0.44 118.68 132.20 1j8c s LEU 100 Ca 0.36 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 1j8c s LEU 100 Cb -0.15 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 1j8c s LEU 100 CO 0.19 -0.00 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.48 1j8c s VAL 101 N 1.46 0.22 -0.21 1.68 1.01 0.51 -4.81 120.40 120.26 1j8c s VAL 101 Ca 0.07 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 1j8c s VAL 101 Cb -0.15 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 1j8c s VAL 101 CO 0.07 -0.51 0.02 0.27 0.00 0.00 0.00 175.10 174.96 1j8c s ILE 102 N -1.61 4.10 -0.58 2.22 -0.00 -1.26 0.16 121.20 124.23 1j8c s ILE 102 Ca -0.13 -0.26 0.05 0.00 -0.00 0.00 0.00 60.65 60.31 1j8c s ILE 102 Cb -0.09 -2.87 0.04 0.00 -0.00 0.00 0.00 42.46 39.54 1j8c s ILE 102 CO -0.01 0.41 0.65 0.29 -0.00 0.00 0.00 174.94 176.27