#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 0.05 -0.13 3.17 0.00 -1.26 -5.09 121.76 118.51 1j8c s ALA 2 Ca 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 50.98 1j8c s ALA 2 Cb 0.00 0.66 -0.09 0.00 0.00 0.00 0.00 23.12 23.70 1j8c s ALA 2 CO 0.00 -0.55 0.17 1.49 0.00 0.00 0.00 175.76 176.87 1j8c h GLU 3 N 2.71 0.00 -6.35 0.00 4.57 -2.04 -3.45 114.58 110.02 1j8c h GLU 3 Ca -0.33 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.30 1j8c h GLU 3 Cb 1.21 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.78 1j8c h GLU 3 CO 0.54 0.33 0.61 1.21 -1.18 0.00 0.00 179.01 180.53 1j8c s ASN 4 N -5.87 7.12 0.40 1.04 3.04 -1.26 -4.91 114.94 114.50 1j8c s ASN 4 Ca -0.10 1.80 0.09 0.00 0.04 0.00 0.00 52.86 54.70 1j8c s ASN 4 Cb 0.00 -2.56 0.83 0.00 -1.54 0.00 0.00 41.25 37.98 1j8c s ASN 4 CO 0.26 -0.50 1.96 1.23 -3.04 0.00 0.00 177.10 177.01 1j8c h GLY 5 N 7.70 0.30 -4.02 1.21 0.00 -2.05 -2.53 103.07 103.68 1j8c h GLY 5 Ca -0.36 -0.16 -0.56 0.00 0.00 0.00 0.00 47.33 46.25 1j8c h GLY 5 CO 0.85 0.15 0.70 1.18 0.00 0.00 0.00 176.54 179.42 1j8c n GLU 6 N -4.33 2.38 -3.08 4.80 1.02 -1.26 -4.51 120.64 115.66 1j8c n GLU 6 Ca -0.00 -2.65 -0.16 0.00 -0.02 0.00 0.00 57.16 54.32 1j8c n GLU 6 Cb 0.22 -2.05 -0.00 0.00 -0.02 0.00 0.00 31.44 29.58 1j8c n GLU 6 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1j8c n SER 7 N -0.25 0.07 -3.29 1.62 2.88 -0.95 -4.98 113.62 108.71 1j8c n SER 7 Ca 0.50 -3.16 -0.35 0.00 -1.33 0.00 0.00 58.87 54.52 1j8c n SER 7 Cb 0.57 -0.02 -0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1j8c n SER 7 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1j8c n SER 8 N 0.33 6.18 -0.00 -3.46 7.64 -1.26 -4.87 113.62 118.18 1j8c n SER 8 Ca 0.20 -3.70 0.00 0.00 1.01 0.00 0.00 58.87 56.39 1j8c n SER 8 Cb 0.67 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 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 -0.18 -1.65 3.76 0.23 0.00 -1.26 -4.83 105.19 101.27 1j8c n GLY 9 Ca 0.41 -1.34 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 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 4.45 -0.06 1.61 0.04 -1.26 -4.98 135.00 134.80 1j8c s PRO 10 Ca 0.00 1.81 -0.17 0.00 0.04 0.00 0.00 61.00 62.69 1j8c s PRO 10 Cb 0.00 -3.01 -0.12 0.00 0.04 0.00 0.00 34.50 31.41 1j8c s PRO 10 CO 0.00 0.04 0.65 -1.00 0.04 0.00 0.00 177.00 176.73 1j8c h PRO 11 N 3.41 -0.23 0.00 0.56 0.13 -2.01 -3.49 132.00 130.37 1j8c h PRO 11 Ca -0.47 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1j8c h PRO 11 Cb 1.22 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1j8c h PRO 11 CO 0.65 0.11 0.00 0.54 -0.23 0.00 0.00 178.00 179.08 1j8c n ARG 12 N -4.92 0.00 -1.63 0.86 1.74 -1.26 -5.03 116.66 106.42 1j8c n ARG 12 Ca -0.06 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.62 1j8c n ARG 12 Cb 0.22 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.62 1j8c n ARG 12 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1j8c n PRO 13 N 0.00 1.95 0.15 5.56 -0.04 -1.26 -4.70 135.00 136.65 1j8c n PRO 13 Ca 0.00 -2.29 -0.11 0.00 -0.04 0.00 0.00 63.50 61.07 1j8c n PRO 13 Cb 0.00 -3.24 -0.06 0.00 -0.04 0.00 0.00 33.50 30.15 1j8c n PRO 13 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1j8c h SER 14 N 7.96 -0.37 -3.33 3.54 0.87 -1.98 -3.44 113.55 116.80 1j8c h SER 14 Ca 0.40 -0.15 -0.56 0.00 -1.23 0.00 0.00 61.79 60.25 1j8c h SER 14 Cb 0.75 0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.76 1j8c h SER 14 CO 1.72 0.10 0.03 0.00 -0.53 0.00 0.00 176.83 178.14 1j8c s ARG 15 N -3.70 4.36 0.00 2.24 1.70 -1.26 -4.78 118.95 117.51 1j8c s ARG 15 Ca -0.11 0.83 0.00 0.00 -0.47 0.00 0.00 55.73 55.97 1j8c s ARG 15 Cb 0.01 -3.33 0.00 0.00 -0.57 0.00 0.00 34.95 31.06 1j8c s ARG 15 CO 0.39 0.39 0.00 0.41 -1.08 0.00 0.00 175.30 175.41 1j8c n GLY 16 N 2.32 0.93 3.79 3.88 0.00 -1.26 -5.12 105.19 109.73 1j8c n GLY 16 Ca -0.06 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 1j8c n GLY 16 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j8c s PRO 17 N -0.18 2.30 0.00 1.61 0.04 -1.26 -5.08 135.00 132.43 1j8c s PRO 17 Ca 0.00 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1j8c s PRO 17 Cb 0.00 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1j8c s PRO 17 CO 0.00 -1.53 0.00 0.00 0.04 0.00 0.00 177.00 175.51 1j8c n ALA 18 N -3.41 0.00 -0.00 8.56 0.00 -1.26 -5.12 120.51 119.27 1j8c n ALA 18 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.51 1j8c n ALA 18 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -3.00 1.91 -2.50 0.00 0.00 -1.26 -5.09 120.51 110.57 1j8c n ALA 19 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1j8c n ALA 19 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.56 0.00 -1.31 0.00 0.00 -1.26 -5.00 120.51 110.38 1j8c n ALA 20 Ca -0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 1j8c n ALA 20 Cb 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.94 -2.66 -2.32 0.00 7.27 -1.26 -4.98 117.38 112.48 1j8c n GLN 21 Ca 0.00 1.97 -0.02 0.00 0.07 0.00 0.00 57.00 59.02 1j8c n GLN 21 Cb 0.00 -3.26 -0.02 0.00 2.41 0.00 0.00 30.24 29.38 1j8c n GLN 21 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1j8c n GLY 22 N -3.94 -5.39 2.40 1.69 0.00 -1.26 -5.01 105.19 93.68 1j8c n GLY 22 Ca -0.03 0.65 -0.27 0.00 0.00 0.00 0.00 46.02 46.37 1j8c n GLY 22 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j8c s SER 23 N -0.56 1.53 0.30 1.61 0.15 -1.26 -5.11 113.70 110.36 1j8c s SER 23 Ca -0.10 -2.96 -0.20 0.00 0.70 0.00 0.00 55.95 53.39 1j8c s SER 23 Cb 0.01 -0.40 0.03 0.00 -1.71 0.00 0.00 66.02 63.94 1j8c s SER 23 CO 0.28 -0.18 0.73 0.00 1.20 0.00 0.00 173.24 175.27 1j8c s ALA 24 N 0.18 -1.13 -0.23 5.45 0.00 -1.26 -5.06 121.76 119.71 1j8c s ALA 24 Ca 0.31 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.85 1j8c s ALA 24 Cb 0.01 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.95 1j8c s ALA 24 CO -0.18 -1.03 0.07 0.00 0.00 0.00 0.00 175.76 174.63 1j8c n ALA 25 N -0.47 -2.97 -2.57 0.00 0.00 -1.26 -4.90 120.51 108.34 1j8c n ALA 25 Ca -0.05 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 1j8c n ALA 25 Cb 0.59 -1.12 -0.07 0.00 0.00 0.00 0.00 19.45 18.86 1j8c n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j8c s ALA 26 N -1.52 3.46 1.00 0.00 0.00 -1.26 -5.06 121.76 118.39 1j8c s ALA 26 Ca 0.03 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1j8c s ALA 26 Cb -0.01 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1j8c s ALA 26 CO 0.56 -1.30 0.00 -0.35 0.00 0.00 0.00 175.76 174.67 1j8c n PRO 27 N 5.94 -0.57 -4.04 0.00 -0.04 -1.26 -5.03 135.00 129.98 1j8c n PRO 27 Ca -0.02 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.11 1j8c n PRO 27 Cb 0.49 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.80 1j8c n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j8c s ALA 28 N -3.19 2.58 -0.17 0.55 0.00 -1.26 -4.90 121.76 115.38 1j8c s ALA 28 Ca 0.00 -1.65 -0.02 0.00 0.00 0.00 0.00 51.96 50.29 1j8c s ALA 28 Cb 0.00 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.54 1j8c s ALA 28 CO 0.00 -1.04 0.04 -1.91 0.00 0.00 0.00 175.76 172.85 1j8c n GLU 29 N 4.51 -2.57 0.00 0.00 4.07 -1.26 -4.77 120.64 120.62 1j8c n GLU 29 Ca -0.15 2.19 0.00 0.00 -0.06 0.00 0.00 57.16 59.14 1j8c n GLU 29 Cb 0.44 -3.65 0.00 0.00 -0.06 0.00 0.00 31.44 28.17 1j8c n GLU 29 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1j8c n PRO 30 N 1.22 0.00 -4.33 5.31 -0.04 -1.26 -4.22 135.00 131.68 1j8c n PRO 30 Ca -0.07 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.04 1j8c n PRO 30 Cb 0.25 -0.14 -0.07 0.00 -0.04 0.00 0.00 33.50 33.51 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 -1.58 -1.69 0.54 4.01 -1.26 -0.95 118.16 117.23 1j8c n LYS 31 Ca 0.00 0.20 -0.44 0.00 -0.51 0.00 0.00 58.31 57.56 1j8c n LYS 31 Cb 0.00 -4.35 -0.04 0.00 -0.51 0.00 0.00 35.03 30.13 1j8c n LYS 31 CO 0.00 0.00 0.00 1.51 -1.11 0.00 0.00 177.40 177.80 1j8c n ILE 32 N -4.35 0.07 -3.80 -0.18 0.13 -1.26 -1.65 119.36 108.31 1j8c n ILE 32 Ca -0.11 -0.01 -0.22 0.00 -1.10 0.00 0.00 62.75 61.31 1j8c n ILE 32 Cb 0.58 -1.83 -0.02 0.00 -0.84 0.00 0.00 39.64 37.53 1j8c n ILE 32 CO 0.00 0.00 0.00 0.27 2.80 0.00 0.00 176.55 179.62 1j8c s ILE 33 N 1.41 5.22 0.11 9.51 -4.36 0.14 -4.81 121.20 128.42 1j8c s ILE 33 Ca 0.78 -0.82 -0.14 0.00 -0.26 0.00 0.00 60.65 60.21 1j8c s ILE 33 Cb -0.57 -3.85 -0.06 0.00 1.25 0.00 0.00 42.46 39.22 1j8c s ILE 33 CO 0.36 -0.38 0.50 -0.54 0.24 0.00 0.00 174.94 175.12 1j8c s LYS 34 N -4.03 3.94 -0.14 0.37 -0.14 -1.26 -2.68 119.74 115.79 1j8c s LYS 34 Ca 0.36 0.43 -0.03 0.00 -1.36 0.00 0.00 55.97 55.36 1j8c s LYS 34 Cb -0.09 -3.00 0.05 0.00 -1.68 0.00 0.00 37.83 33.10 1j8c s LYS 34 CO 0.31 0.53 0.05 0.08 -0.76 0.00 0.00 175.35 175.56 1j8c s VAL 35 N -1.38 0.24 -0.58 3.17 1.01 -0.75 -1.70 120.40 120.40 1j8c s VAL 35 Ca 0.34 -0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.96 1j8c s VAL 35 Cb -0.15 -0.67 0.06 0.00 0.00 0.00 0.00 36.38 35.62 1j8c s VAL 35 CO 0.18 -0.06 0.83 -0.89 0.00 0.00 0.00 175.10 175.16 1j8c s THR 36 N 2.00 4.57 -0.20 3.92 2.01 -0.48 0.14 115.64 127.59 1j8c s THR 36 Ca 0.02 -0.33 -0.12 0.00 0.31 0.00 0.00 61.69 61.57 1j8c s THR 36 Cb -0.15 -4.51 -0.05 0.00 0.01 0.00 0.00 72.50 67.80 1j8c s THR 36 CO -0.07 -1.14 0.23 -0.69 -0.69 0.00 0.00 174.62 172.26 1j8c s VAL 37 N 3.43 5.33 -0.23 3.82 1.01 -1.07 -2.45 120.40 130.25 1j8c s VAL 37 Ca 0.21 0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.49 1j8c s VAL 37 Cb -0.17 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1j8c s VAL 37 CO 0.12 0.37 0.05 -0.75 0.00 0.00 0.00 175.10 174.89 1j8c s LYS 38 N 0.74 3.69 0.33 2.72 2.20 -0.92 -2.35 119.74 126.15 1j8c s LYS 38 Ca 0.12 -0.47 0.10 0.00 -0.36 0.00 0.00 55.97 55.35 1j8c s LYS 38 Cb -0.13 -3.25 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 1j8c s LYS 38 CO 0.03 -0.08 -0.04 0.95 -0.36 0.00 0.00 175.35 175.85 1j8c s THR 39 N 1.30 2.60 -0.92 3.43 -4.23 -1.01 -0.16 115.64 116.66 1j8c s THR 39 Ca 0.05 -2.07 -0.06 0.00 -1.18 0.00 0.00 61.69 58.43 1j8c s THR 39 Cb -0.15 -2.71 -0.05 0.00 1.34 0.00 0.00 72.50 70.93 1j8c s THR 39 CO 0.03 -0.24 2.14 -0.81 -0.54 0.00 0.00 174.62 175.20 1j8c n PRO 40 N -0.87 2.12 0.00 3.99 -0.04 -1.26 -2.87 135.00 136.07 1j8c n PRO 40 Ca -0.05 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 1j8c n PRO 40 Cb 0.62 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 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 4.15 0.00 -3.78 0.54 3.00 -1.26 -5.16 118.16 115.65 1j8c n LYS 41 Ca 0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.75 1j8c n LYS 41 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.17 1j8c n LYS 41 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1j8c s GLU 42 N -0.95 0.86 -0.23 1.64 -1.05 -1.14 -5.14 118.70 112.69 1j8c s GLU 42 Ca 0.00 -0.51 -0.05 0.00 -0.15 0.00 0.00 54.97 54.26 1j8c s GLU 42 Cb 0.00 0.27 -0.01 0.00 -0.44 0.00 0.00 34.13 33.94 1j8c s GLU 42 CO 0.00 -0.40 -0.00 0.21 0.95 0.00 0.00 175.26 176.02 1j8c s LYS 43 N -2.55 3.45 -0.09 -4.83 2.36 -1.26 -2.40 119.74 114.42 1j8c s LYS 43 Ca 0.18 -0.59 0.01 0.00 -2.55 0.00 0.00 55.97 53.02 1j8c s LYS 43 Cb 0.00 -3.12 0.02 0.00 -1.05 0.00 0.00 37.83 33.68 1j8c s LYS 43 CO 0.01 -0.20 -0.10 -1.21 1.55 0.00 0.00 175.35 175.39 1j8c s GLU 44 N 1.52 1.67 0.33 4.03 2.02 -0.99 -5.01 118.70 122.27 1j8c s GLU 44 Ca 0.06 -0.35 -0.16 0.00 0.02 0.00 0.00 54.97 54.53 1j8c s GLU 44 Cb -0.15 -1.54 -0.09 0.00 0.10 0.00 0.00 34.13 32.46 1j8c s GLU 44 CO -0.01 -0.12 0.78 -1.21 0.02 0.00 0.00 175.26 174.71 1j8c s GLU 45 N 1.18 4.07 -0.01 1.61 2.02 -1.26 -2.60 118.70 123.70 1j8c s GLU 45 Ca -0.05 0.77 0.07 0.00 0.02 0.00 0.00 54.97 55.78 1j8c s GLU 45 Cb -0.14 -2.42 -0.02 0.00 0.10 0.00 0.00 34.13 31.65 1j8c s GLU 45 CO -0.03 0.14 -0.21 -0.06 0.02 0.00 0.00 175.26 175.12 1j8c s PHE 46 N -1.98 1.92 -0.12 1.61 0.40 0.12 -4.93 117.98 115.00 1j8c s PHE 46 Ca 0.55 -0.36 -0.11 0.00 -0.60 0.00 0.00 56.93 56.40 1j8c s PHE 46 Cb -0.11 -1.23 -0.05 0.00 0.51 0.00 0.00 43.02 42.14 1j8c s PHE 46 CO 0.17 -0.03 0.23 0.00 0.70 0.00 0.00 175.22 176.29 1j8c s ALA 47 N -0.51 3.73 -0.03 5.36 0.00 -1.26 -1.81 121.76 127.23 1j8c s ALA 47 Ca 0.08 -0.52 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 1j8c s ALA 47 Cb -0.08 -2.20 0.01 0.00 0.00 0.00 0.00 23.12 20.84 1j8c s ALA 47 CO -0.01 0.36 0.11 0.14 0.00 0.00 0.00 175.76 176.37 1j8c s VAL 48 N -0.37 0.03 0.11 0.00 -7.23 -1.09 -4.96 120.40 106.89 1j8c s VAL 48 Ca 0.16 -0.23 -0.31 0.00 -1.81 0.00 0.00 61.98 59.78 1j8c s VAL 48 Cb -0.13 -0.24 -0.09 0.00 0.56 0.00 0.00 36.38 36.48 1j8c s VAL 48 CO 0.05 -0.13 1.54 -2.16 -0.31 0.00 0.00 175.10 174.09 1j8c s PRO 49 N -0.39 4.24 0.56 4.82 0.04 -1.26 0.28 135.00 143.27 1j8c s PRO 49 Ca -0.05 2.26 0.21 0.00 0.04 0.00 0.00 61.00 63.46 1j8c s PRO 49 Cb -0.03 -3.33 0.71 0.00 0.04 0.00 0.00 34.50 31.88 1j8c s PRO 49 CO 0.00 -0.61 1.13 -1.91 0.04 0.00 0.00 177.00 175.66 1j8c n GLU 50 N 4.53 0.01 -3.30 4.56 2.13 -0.12 -1.44 120.64 127.02 1j8c n GLU 50 Ca 0.14 0.91 -0.27 0.00 0.66 0.00 0.00 57.16 58.60 1j8c n GLU 50 Cb 0.40 -2.30 -0.07 0.00 0.27 0.00 0.00 31.44 29.74 1j8c n GLU 50 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1j8c n ASN 51 N -2.95 3.81 0.00 4.31 5.15 -1.26 -4.61 115.26 119.71 1j8c n ASN 51 Ca 0.18 -3.48 0.00 0.00 -0.60 0.00 0.00 54.58 50.68 1j8c n ASN 51 Cb 1.32 -0.64 0.00 0.00 -0.53 0.00 0.00 39.78 39.93 1j8c n ASN 51 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1j8c n SER 52 N 0.60 0.00 -3.50 1.20 2.88 -0.52 -5.00 113.62 109.29 1j8c n SER 52 Ca 0.30 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.68 1j8c n SER 52 Cb 0.41 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.82 1j8c n SER 52 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1j8c s SER 53 N 0.86 -0.60 0.39 -3.46 0.15 -1.26 -4.87 113.70 104.92 1j8c s SER 53 Ca 0.00 0.41 0.11 0.00 0.70 0.00 0.00 55.95 57.17 1j8c s SER 53 Cb 0.00 0.55 0.90 0.00 -1.71 0.00 0.00 66.02 65.76 1j8c s SER 53 CO 0.00 -0.73 1.94 0.58 1.20 0.00 0.00 173.24 176.23 1j8c h VAL 54 N 2.67 0.91 -0.77 4.45 2.07 -1.86 -2.32 116.25 121.40 1j8c h VAL 54 Ca -0.30 -0.20 0.17 0.00 0.82 0.00 0.00 66.70 67.20 1j8c h VAL 54 Cb 1.20 0.28 -0.11 0.00 -1.52 0.00 0.00 31.29 31.14 1j8c h VAL 54 CO 0.39 0.11 0.22 -0.61 0.02 0.00 0.00 177.57 177.69 1j8c h GLN 55 N 0.58 0.29 -0.01 1.57 4.15 -1.94 1.06 115.11 120.80 1j8c h GLN 55 Ca 0.34 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.74 1j8c h GLN 55 Cb 0.54 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1j8c h GLN 55 CO -0.12 0.19 -0.02 0.37 -1.93 0.00 0.00 178.83 177.33 1j8c h GLN 56 N 0.29 0.02 -0.67 1.69 4.15 -1.84 -2.94 115.11 115.81 1j8c h GLN 56 Ca 0.45 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.81 1j8c h GLN 56 Cb 0.78 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.44 1j8c h GLN 56 CO -0.52 0.59 0.28 0.35 -1.93 0.00 0.00 178.83 177.59 1j8c h PHE 57 N -0.53 0.99 -0.53 3.99 3.57 -1.27 0.14 116.94 123.30 1j8c h PHE 57 Ca 0.00 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.47 1j8c h PHE 57 Cb 0.58 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 1j8c h PHE 57 CO 0.12 0.75 0.30 0.87 -2.23 0.00 0.00 178.31 178.13 1j8c h LYS 58 N 0.97 0.58 0.00 1.11 1.57 0.11 -1.57 116.57 119.34 1j8c h LYS 58 Ca 0.23 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1j8c h LYS 58 Cb 0.17 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1j8c h LYS 58 CO -0.02 0.38 -0.15 0.93 -0.57 0.00 0.00 179.45 180.02 1j8c h GLU 59 N 0.59 0.00 0.20 3.15 4.39 -1.30 -3.30 114.58 118.32 1j8c h GLU 59 Ca 0.22 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 1j8c h GLU 59 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1j8c h GLU 59 CO -0.12 0.00 -0.10 0.00 -1.16 0.00 0.00 179.01 177.63 1j8c h ALA 60 N 2.18 -0.27 -0.30 3.43 0.00 0.30 -2.77 119.26 121.83 1j8c h ALA 60 Ca 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1j8c h ALA 60 Cb 0.91 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1j8c h ALA 60 CO 0.00 -0.57 0.05 0.82 0.00 0.00 0.00 179.25 179.54 1j8c h ILE 61 N -0.43 1.16 -0.09 0.00 2.04 -1.61 -2.66 117.51 115.93 1j8c h ILE 61 Ca -0.03 -0.59 0.04 0.00 1.00 0.00 0.00 64.86 65.28 1j8c h ILE 61 Cb 0.33 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 1j8c h ILE 61 CO 0.05 0.21 -0.22 -1.28 0.00 0.00 0.00 178.15 176.90 1j8c h SER 62 N 0.44 -0.67 0.27 1.72 0.87 -1.57 0.95 113.55 115.56 1j8c h SER 62 Ca 0.10 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1j8c h SER 62 Cb 0.22 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1j8c h SER 62 CO 0.00 -0.28 -0.13 0.50 -0.53 0.00 0.00 176.83 176.40 1j8c h LYS 63 N -0.30 -0.34 0.17 2.24 1.63 -1.35 0.75 116.57 119.36 1j8c h LYS 63 Ca 0.09 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 1j8c h LYS 63 Cb 0.43 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1j8c h LYS 63 CO -0.26 0.00 -0.08 -0.09 -3.45 0.00 0.00 179.45 175.57 1j8c h ARG 64 N -0.79 -0.22 -0.30 1.90 9.65 -1.43 -3.31 114.38 119.89 1j8c h ARG 64 Ca -0.04 0.01 -0.12 0.00 -1.10 0.00 0.00 59.98 58.74 1j8c h ARG 64 Cb 0.51 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.12 1j8c h ARG 64 CO 0.06 0.20 -0.29 0.35 2.80 0.00 0.00 179.97 183.09 1j8c h PHE 65 N -0.86 0.71 -3.71 2.20 3.04 0.73 -3.48 116.94 115.57 1j8c h PHE 65 Ca -0.02 -0.17 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 38.87 1j8c h PHE 65 CO 0.08 0.84 -0.04 1.17 -2.02 0.00 0.00 178.31 178.35 1j8c n LYS 66 N -4.09 -0.48 -0.54 1.11 3.00 0.25 -4.99 118.16 112.42 1j8c n LYS 66 Ca -0.01 0.85 0.00 0.00 -0.00 0.00 0.00 58.31 59.15 1j8c n LYS 66 Cb 0.45 -2.78 0.00 0.00 0.00 0.00 0.00 35.03 32.70 1j8c n LYS 66 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1j8c n SER 67 N -1.03 0.00 -2.38 3.14 3.41 -1.21 -5.03 113.62 110.52 1j8c n SER 67 Ca 0.01 -0.52 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 1j8c n SER 67 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1j8c n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j8c n GLN 68 N 0.00 -0.35 0.03 4.33 10.64 -1.26 -4.68 117.38 126.09 1j8c n GLN 68 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1j8c n GLN 68 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1j8c n GLN 68 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1j8c n THR 69 N -2.04 0.00 0.04 -0.39 -2.24 -1.26 -4.58 114.28 103.81 1j8c n THR 69 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1j8c n THR 69 Cb 0.00 -0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 67.98 1j8c n THR 69 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1j8c h ASP 70 N 0.00 -0.41 1.31 3.42 3.32 -1.96 -2.36 116.42 119.74 1j8c h ASP 70 Ca 0.00 0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 1j8c h ASP 70 Cb 0.00 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1j8c h ASP 70 CO 0.00 -0.19 -0.50 1.56 -1.72 0.00 0.00 179.24 178.38 1j8c h GLN 71 N -0.21 0.00 -6.00 3.56 4.20 -1.92 -3.44 115.11 111.30 1j8c h GLN 71 Ca 0.06 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.16 1j8c h GLN 71 Cb 0.30 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 1j8c h GLN 71 CO -0.16 0.50 1.47 -0.11 -0.67 0.00 0.00 178.83 179.86 1j8c n LEU 72 N -3.30 3.01 -4.20 1.46 7.94 -0.89 -2.55 117.00 118.47 1j8c n LEU 72 Ca 0.01 0.27 -0.19 0.00 -1.11 0.00 0.00 56.01 55.00 1j8c n LEU 72 Cb 0.69 -1.48 -0.12 0.00 0.53 0.00 0.00 43.42 43.04 1j8c n LEU 72 CO 0.40 -0.68 -0.46 -0.69 -1.11 0.00 0.00 177.39 174.85 1j8c s VAL 73 N 7.97 1.24 -0.21 1.96 1.01 -1.03 -4.88 120.40 126.46 1j8c s VAL 73 Ca 1.03 -1.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 1j8c s VAL 73 Cb -0.47 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 1j8c s VAL 73 CO 0.39 -0.27 -0.04 -0.76 0.00 0.00 0.00 175.10 174.42 1j8c s LEU 74 N -1.98 2.96 -0.71 3.92 1.02 -1.10 -0.39 118.68 122.39 1j8c s LEU 74 Ca 0.02 -0.34 -0.27 0.00 0.02 0.00 0.00 54.13 53.56 1j8c s LEU 74 Cb -0.08 -1.74 0.03 0.00 0.02 0.00 0.00 46.19 44.41 1j8c s LEU 74 CO 0.03 0.02 1.28 -0.63 0.02 0.00 0.00 176.35 177.06 1j8c s ILE 75 N 1.26 3.76 -0.20 -0.59 -1.09 0.80 0.13 121.20 125.26 1j8c s ILE 75 Ca 0.03 0.48 -0.05 0.00 -2.23 0.00 0.00 60.65 58.88 1j8c s ILE 75 Cb -0.14 -4.88 -0.02 0.00 -1.58 0.00 0.00 42.46 35.84 1j8c s ILE 75 CO -0.01 -1.77 -0.01 0.12 -1.23 0.00 0.00 174.94 172.04 1j8c s PHE 76 N 5.68 3.02 -1.32 3.97 5.36 -1.06 -2.60 117.98 131.03 1j8c s PHE 76 Ca 0.37 -0.52 0.00 0.00 -0.96 0.00 0.00 56.93 55.82 1j8c s PHE 76 Cb -0.08 -2.08 0.00 0.00 -0.34 0.00 0.00 43.02 40.52 1j8c s PHE 76 CO 0.17 -0.27 0.00 0.00 -1.46 0.00 0.00 175.22 173.65 1j8c n ALA 77 N 4.29 -0.61 -1.37 11.12 0.00 -1.26 0.26 120.51 132.93 1j8c n ALA 77 Ca -0.17 0.15 -0.00 0.00 0.00 0.00 0.00 53.44 53.41 1j8c n ALA 77 Cb 0.52 -1.64 -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 -0.71 0.38 0.00 0.00 0.00 -1.26 -5.04 105.19 98.56 1j8c n GLY 78 Ca -0.17 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1j8c n GLY 78 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1j8c n LYS 79 N -2.26 2.22 -3.65 1.61 4.81 0.14 -5.08 118.16 115.94 1j8c n LYS 79 Ca -0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.09 1j8c n LYS 79 Cb 0.19 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.17 1j8c n LYS 79 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 1j8c n ILE 80 N 0.00 2.86 -1.63 3.15 -6.64 -1.26 -2.58 119.36 113.26 1j8c n ILE 80 Ca 0.00 -5.11 -0.15 0.00 -1.77 0.00 0.00 62.75 55.72 1j8c n ILE 80 Cb 0.00 -2.33 -0.07 0.00 -1.44 0.00 0.00 39.64 35.80 1j8c n ILE 80 CO 0.00 0.00 0.00 -0.22 -1.77 0.00 0.00 176.55 174.56 1j8c s LEU 81 N -1.49 2.85 0.00 7.28 2.96 0.36 -4.57 118.68 126.07 1j8c s LEU 81 Ca 0.28 -0.13 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 1j8c s LEU 81 Cb -0.05 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.08 1j8c s LEU 81 CO -0.12 -3.83 0.00 1.17 -1.32 0.00 0.00 176.35 172.25 1j8c n LYS 82 N 8.77 0.00 0.18 1.98 4.81 -1.26 -2.73 118.16 129.91 1j8c n LYS 82 Ca 0.46 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 58.02 1j8c n LYS 82 Cb 0.44 0.00 0.63 0.00 0.02 0.00 0.00 35.03 36.12 1j8c n LYS 82 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1j8c h ASP 83 N 0.00 0.00 -0.77 3.14 3.58 -1.91 -2.51 116.42 117.95 1j8c h ASP 83 Ca 0.00 0.00 0.21 0.00 0.42 0.00 0.00 57.03 57.66 1j8c h ASP 83 Cb 0.00 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 1j8c h ASP 83 CO 0.00 0.00 0.55 1.56 -2.88 0.00 0.00 179.24 178.47 1j8c h GLN 84 N 0.00 0.07 -3.01 0.28 1.08 -1.94 -3.44 115.11 108.15 1j8c h GLN 84 Ca 0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1j8c h GLN 84 Cb 0.10 -0.02 -0.10 0.00 -0.05 0.00 0.00 27.48 27.41 1j8c h GLN 84 CO 0.00 0.04 0.21 -0.51 -0.95 0.00 0.00 178.83 177.62 1j8c s ASP 85 N -5.83 -0.49 0.13 1.46 1.01 -0.94 -5.14 116.67 106.87 1j8c s ASP 85 Ca -0.06 -0.16 -0.30 0.00 0.71 0.00 0.00 52.55 52.75 1j8c s ASP 85 Cb 0.21 0.63 -0.06 0.00 1.01 0.00 0.00 42.92 44.71 1j8c s ASP 85 CO 0.76 -1.06 1.07 -0.89 0.21 0.00 0.00 175.17 175.26 1j8c s THR 86 N -3.79 4.13 0.30 -1.27 2.01 -1.26 -4.55 115.64 111.20 1j8c s THR 86 Ca 0.04 1.74 0.02 0.00 0.31 0.00 0.00 61.69 63.80 1j8c s THR 86 Cb -0.02 -4.11 0.29 0.00 0.01 0.00 0.00 72.50 68.66 1j8c s THR 86 CO -0.08 0.25 1.87 -0.07 -0.69 0.00 0.00 174.62 175.90 1j8c h LEU 87 N 5.61 0.90 -1.15 4.42 4.07 -1.89 0.48 115.31 127.75 1j8c h LEU 87 Ca -0.43 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.56 1j8c h LEU 87 Cb 1.21 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.80 1j8c h LEU 87 CO 0.74 0.52 0.00 0.16 -1.08 0.00 0.00 178.44 178.78 1j8c h ILE 88 N 0.99 0.00 0.00 1.22 -0.00 -1.81 1.47 117.51 119.38 1j8c h ILE 88 Ca 0.45 -0.40 0.00 0.00 -0.00 0.00 0.00 64.86 64.91 1j8c h ILE 88 Cb 0.39 1.30 0.00 0.00 -0.00 0.00 0.00 36.82 38.51 1j8c h ILE 88 CO -0.21 0.00 -0.58 1.67 -0.00 0.00 0.00 178.15 179.03 1j8c n GLN 89 N -2.75 0.20 0.00 0.16 7.27 0.16 -4.83 117.38 117.58 1j8c n GLN 89 Ca 0.01 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.14 1j8c n GLN 89 Cb 0.28 -1.62 0.00 0.00 2.41 0.00 0.00 30.24 31.31 1j8c n GLN 89 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1j8c n HIS 90 N -1.90 0.00 -0.26 3.69 -0.00 -0.77 -4.94 115.22 111.04 1j8c n HIS 90 Ca 0.04 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.18 1j8c n HIS 90 Cb 0.41 0.00 0.08 0.00 -0.12 0.00 0.00 29.99 30.35 1j8c n HIS 90 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1j8c h GLY 91 N 0.00 1.04 -4.35 1.57 0.00 -1.15 -3.43 103.07 96.75 1j8c h GLY 91 Ca 0.00 -0.36 -0.46 0.00 0.00 0.00 0.00 47.33 46.51 1j8c h GLY 91 CO 0.00 0.32 -0.79 -0.42 0.00 0.00 0.00 176.54 175.65 1j8c s ILE 92 N -6.12 1.30 -0.04 2.60 -1.09 0.49 -4.86 121.20 113.47 1j8c s ILE 92 Ca -0.13 -1.40 0.01 0.00 -2.23 0.00 0.00 60.65 56.90 1j8c s ILE 92 Cb 0.15 -1.24 -0.03 0.00 -1.58 0.00 0.00 42.46 39.77 1j8c s ILE 92 CO 0.77 -0.18 -0.03 1.41 -1.23 0.00 0.00 174.94 175.68 1j8c n HIS 93 N 1.19 0.00 0.00 3.97 8.25 -1.26 -4.48 115.22 122.89 1j8c n HIS 93 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 1j8c n HIS 93 Cb 0.54 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.48 1j8c n HIS 93 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1j8c n ASP 94 N -2.56 0.00 0.00 0.41 5.68 -1.26 -4.96 116.55 113.86 1j8c n ASP 94 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 1j8c n ASP 94 Cb 0.58 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 1j8c n ASP 94 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j8c n GLY 95 N 0.00 0.65 2.89 6.12 0.00 -0.69 -4.49 105.19 109.67 1j8c n GLY 95 Ca 0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 1j8c n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j8c n LEU 96 N 0.00 0.00 -4.15 0.99 4.77 -1.23 -4.85 117.00 112.53 1j8c n LEU 96 Ca 0.00 -1.89 -0.22 0.00 -0.03 0.00 0.00 56.01 53.87 1j8c n LEU 96 Cb 0.00 -0.28 -0.14 0.00 -2.33 0.00 0.00 43.42 40.66 1j8c n LEU 96 CO 0.00 -0.64 -0.48 0.28 -1.33 0.00 0.00 177.39 175.22 1j8c s THR 97 N -1.71 1.23 -0.04 -5.08 -1.32 -1.26 -1.38 115.64 106.07 1j8c s THR 97 Ca 0.43 -0.85 -0.11 0.00 -1.21 0.00 0.00 61.69 59.95 1j8c s THR 97 Cb -0.03 -1.06 0.02 0.00 -1.51 0.00 0.00 72.50 69.91 1j8c s THR 97 CO 0.27 0.20 0.25 0.68 -2.21 0.00 0.00 174.62 173.81 1j8c s VAL 98 N -0.59 0.04 -0.27 5.08 -7.23 -1.02 -4.76 120.40 111.65 1j8c s VAL 98 Ca 0.05 -0.35 -0.20 0.00 -1.81 0.00 0.00 61.98 59.66 1j8c s VAL 98 Cb -0.07 -0.48 -0.02 0.00 0.56 0.00 0.00 36.38 36.37 1j8c s VAL 98 CO 0.00 -0.19 0.60 -1.00 -0.31 0.00 0.00 175.10 174.20 1j8c s HIS 99 N -0.79 3.26 0.22 2.82 3.76 -1.07 -2.16 115.29 121.33 1j8c s HIS 99 Ca -0.09 0.72 -0.30 0.00 -0.15 0.00 0.00 55.06 55.24 1j8c s HIS 99 Cb -0.05 -2.85 -0.08 0.00 1.11 0.00 0.00 32.58 30.71 1j8c s HIS 99 CO 0.02 -0.35 1.06 -1.17 -0.85 0.00 0.00 174.74 173.45 1j8c s LEU 100 N 2.48 4.54 -0.28 0.89 2.96 0.77 -0.14 118.68 129.90 1j8c s LEU 100 Ca 0.25 2.11 -0.19 0.00 -0.22 0.00 0.00 54.13 56.08 1j8c s LEU 100 Cb -0.15 -3.61 0.12 0.00 0.50 0.00 0.00 46.19 43.05 1j8c s LEU 100 CO 0.09 -0.11 0.92 0.54 -1.32 0.00 0.00 176.35 176.47 1j8c s VAL 101 N -0.72 0.00 0.18 1.68 0.11 0.48 -4.70 120.40 117.43 1j8c s VAL 101 Ca 0.46 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.21 1j8c s VAL 101 Cb -0.29 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.48 1j8c s VAL 101 CO 0.36 0.00 0.99 0.27 -3.33 0.00 0.00 175.10 173.39 1j8c s ILE 102 N 1.09 4.15 -2.71 7.04 -0.00 -1.26 -2.45 121.20 127.06 1j8c s ILE 102 Ca -0.06 1.94 0.22 0.00 -0.00 0.00 0.00 60.65 62.75 1j8c s ILE 102 Cb -0.04 -4.24 0.17 0.00 -0.00 0.00 0.00 42.46 38.35 1j8c s ILE 102 CO -0.13 0.37 1.19 1.17 -0.00 0.00 0.00 174.94 177.54