#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8c n ALA 2 N 0.00 2.27 -2.08 -5.12 0.00 -1.26 -5.12 120.51 109.20 1j8c n ALA 2 Ca 0.00 -1.47 -0.42 0.00 0.00 0.00 0.00 53.44 51.55 1j8c n ALA 2 Cb 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 1j8c n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1j8c s GLU 3 N -0.51 4.31 -0.40 0.00 2.02 -1.26 -4.97 118.70 117.88 1j8c s GLU 3 Ca 0.17 2.14 0.03 0.00 0.02 0.00 0.00 54.97 57.34 1j8c s GLU 3 Cb 0.42 -3.21 0.17 0.00 0.10 0.00 0.00 34.13 31.60 1j8c s GLU 3 CO -0.09 -0.44 0.33 -0.80 0.02 0.00 0.00 175.26 174.27 1j8c s ASN 4 N 0.96 1.60 0.24 -0.19 0.01 -1.26 -5.12 114.94 111.18 1j8c s ASN 4 Ca 0.64 -2.89 -0.30 0.00 -0.71 0.00 0.00 52.86 49.61 1j8c s ASN 4 Cb -0.38 -0.37 -0.09 0.00 0.41 0.00 0.00 41.25 40.81 1j8c s ASN 4 CO 0.32 -0.19 1.13 -0.83 -1.51 0.00 0.00 177.10 176.02 1j8c s GLY 5 N 0.26 2.94 -0.58 0.66 0.00 -1.26 -5.00 107.32 104.34 1j8c s GLY 5 Ca 0.30 0.91 0.04 0.00 0.00 0.00 0.00 44.72 45.97 1j8c s GLY 5 CO -0.16 1.62 0.41 1.85 0.00 0.00 0.00 173.10 176.82 1j8c s GLU 6 N -0.99 1.84 0.74 2.90 2.12 -1.26 -5.11 118.70 118.94 1j8c s GLU 6 Ca 0.47 -2.80 -0.07 0.00 0.36 0.00 0.00 54.97 52.93 1j8c s GLU 6 Cb -0.32 -2.68 0.09 0.00 0.26 0.00 0.00 34.13 31.49 1j8c s GLU 6 CO 0.39 -1.30 1.05 0.45 -0.54 0.00 0.00 175.26 175.31 1j8c s SER 7 N -0.76 4.51 0.57 -1.70 0.15 -1.26 -4.93 113.70 110.27 1j8c s SER 7 Ca 0.26 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.21 1j8c s SER 7 Cb -0.04 -0.82 0.00 0.00 -1.71 0.00 0.00 66.02 63.45 1j8c s SER 7 CO -0.15 -1.79 0.00 -1.20 1.20 0.00 0.00 173.24 171.29 1j8c n SER 8 N -3.02 -3.99 0.00 5.45 7.64 -1.26 -4.86 113.62 113.58 1j8c n SER 8 Ca 0.10 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1j8c n SER 8 Cb 0.60 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 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 -0.41 -0.03 3.79 0.23 0.00 -1.26 -5.05 105.19 102.47 1j8c n GLY 9 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 2.32 1.14 1.61 0.04 -1.26 -5.05 135.00 133.80 1j8c s PRO 10 Ca 0.00 0.87 -0.19 0.00 0.04 0.00 0.00 61.00 61.72 1j8c s PRO 10 Cb 0.00 -1.93 0.28 0.00 0.04 0.00 0.00 34.50 32.89 1j8c s PRO 10 CO 0.00 -1.51 1.15 -0.35 0.04 0.00 0.00 177.00 176.32 1j8c n PRO 11 N -3.40 -2.57 -1.89 0.56 -0.04 -1.26 -4.95 135.00 121.46 1j8c n PRO 11 Ca 0.08 -1.81 -0.41 0.00 -0.04 0.00 0.00 63.50 61.31 1j8c n PRO 11 Cb 0.55 -1.53 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 1j8c n PRO 11 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1j8c s ARG 12 N -5.57 4.18 0.00 0.54 0.52 -1.26 -4.98 118.95 112.38 1j8c s ARG 12 Ca 0.71 2.47 0.00 0.00 -0.52 0.00 0.00 55.73 58.39 1j8c s ARG 12 Cb -0.05 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.40 1j8c s ARG 12 CO 0.53 -0.47 0.13 -0.35 0.02 0.00 0.00 175.30 175.17 1j8c n PRO 13 N 1.03 0.00 0.00 3.54 -0.04 -1.26 -5.02 135.00 133.24 1j8c n PRO 13 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1j8c n PRO 13 Cb 0.40 -0.56 0.00 0.00 -0.04 0.00 0.00 33.50 33.30 1j8c n PRO 13 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1j8c n SER 14 N -0.39 0.00 0.08 3.54 7.64 -1.26 -4.99 113.62 118.24 1j8c n SER 14 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 1j8c n SER 14 Cb 0.00 0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.20 1j8c n SER 14 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1j8c h ARG 15 N 0.00 -0.29 -5.04 1.43 3.08 -2.04 -3.48 114.38 108.03 1j8c h ARG 15 Ca 0.00 0.02 -0.23 0.00 0.07 0.00 0.00 59.98 59.84 1j8c h ARG 15 Cb 0.00 0.07 0.16 0.00 0.08 0.00 0.00 29.97 30.28 1j8c h ARG 15 CO 0.00 -0.20 -0.70 0.41 -1.07 0.00 0.00 179.97 178.42 1j8c n GLY 16 N 1.01 -0.67 3.64 0.04 0.00 -1.26 -4.91 105.19 103.04 1j8c n GLY 16 Ca -0.04 0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.41 3.96 0.18 1.61 0.04 -1.26 -5.00 135.00 130.12 1j8c s PRO 17 Ca 0.28 1.54 0.05 0.00 0.04 0.00 0.00 61.00 62.91 1j8c s PRO 17 Cb -0.04 -3.92 -0.05 0.00 0.04 0.00 0.00 34.50 30.54 1j8c s PRO 17 CO 0.62 -1.07 -0.08 0.00 0.04 0.00 0.00 177.00 176.51 1j8c s ALA 18 N 4.44 1.65 -0.21 8.56 0.00 -1.26 -5.14 121.76 129.80 1j8c s ALA 18 Ca 0.62 -1.60 -0.04 0.00 0.00 0.00 0.00 51.96 50.94 1j8c s ALA 18 Cb -0.22 0.17 0.10 0.00 0.00 0.00 0.00 23.12 23.17 1j8c s ALA 18 CO 0.24 -0.12 0.23 0.00 0.00 0.00 0.00 175.76 176.11 1j8c s ALA 19 N -3.31 -0.31 -0.21 0.00 0.00 -1.26 -5.01 121.76 111.67 1j8c s ALA 19 Ca 0.21 0.25 0.09 0.00 0.00 0.00 0.00 51.96 52.51 1j8c s ALA 19 Cb 0.03 -1.36 -0.21 0.00 0.00 0.00 0.00 23.12 21.58 1j8c s ALA 19 CO 0.04 -1.24 -0.01 0.00 0.00 0.00 0.00 175.76 174.56 1j8c n ALA 20 N 5.32 1.43 -0.54 0.00 0.00 -1.26 -4.97 120.51 120.49 1j8c n ALA 20 Ca -0.05 -1.15 -0.10 0.00 0.00 0.00 0.00 53.44 52.13 1j8c n ALA 20 Cb 0.49 -0.22 0.17 0.00 0.00 0.00 0.00 19.45 19.90 1j8c n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j8c n GLN 21 N -3.04 -3.48 0.00 0.00 10.64 -1.26 -4.28 117.38 115.96 1j8c n GLN 21 Ca -0.38 -0.85 0.00 0.00 -1.83 0.00 0.00 57.00 53.94 1j8c n GLN 21 Cb 1.07 -1.15 0.00 0.00 -0.86 0.00 0.00 30.24 29.30 1j8c n GLN 21 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1j8c n GLY 22 N -3.29 2.56 0.19 2.61 0.00 -1.26 -4.87 105.19 101.14 1j8c n GLY 22 Ca 0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.24 1j8c n GLY 22 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1j8c h SER 23 N 0.36 0.00 -2.90 1.61 0.02 -1.99 -3.43 113.55 107.21 1j8c h SER 23 Ca 0.00 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.31 1j8c h SER 23 Cb 0.00 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 1j8c h SER 23 CO 0.00 0.00 -0.42 0.00 -1.14 0.00 0.00 176.83 175.27 1j8c s ALA 24 N -3.44 3.78 0.09 3.77 0.00 -1.26 -4.98 121.76 119.71 1j8c s ALA 24 Ca 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1j8c s ALA 24 Cb 0.09 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1j8c s ALA 24 CO 0.47 0.44 0.00 0.00 0.00 0.00 0.00 175.76 176.67 1j8c n ALA 25 N 2.46 -1.33 -3.21 0.00 0.00 -1.26 -4.73 120.51 112.44 1j8c n ALA 25 Ca -0.17 0.12 -0.21 0.00 0.00 0.00 0.00 53.44 53.18 1j8c n ALA 25 Cb 0.54 -0.43 -0.07 0.00 0.00 0.00 0.00 19.45 19.49 1j8c n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j8c n ALA 26 N -0.68 1.59 -1.78 0.00 0.00 -1.26 -4.97 120.51 113.41 1j8c n ALA 26 Ca 0.00 -2.59 -0.34 0.00 0.00 0.00 0.00 53.44 50.51 1j8c n ALA 26 Cb 0.17 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 1j8c n ALA 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j8c s PRO 27 N 0.16 3.61 0.15 0.00 0.04 -1.26 -4.88 135.00 132.81 1j8c s PRO 27 Ca 0.32 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1j8c s PRO 27 Cb 0.05 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1j8c s PRO 27 CO -0.16 -0.61 0.00 0.00 0.04 0.00 0.00 177.00 176.27 1j8c n ALA 28 N -1.15 0.00 -3.31 8.56 0.00 -1.26 -5.08 120.51 118.28 1j8c n ALA 28 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.44 1j8c n ALA 28 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.78 -1.50 -0.09 0.00 4.71 -1.26 -4.78 120.64 114.94 1j8c n GLU 29 Ca 0.00 1.29 0.00 0.00 -0.01 0.00 0.00 57.16 58.45 1j8c n GLU 29 Cb 0.00 -4.45 0.04 0.00 -1.01 0.00 0.00 31.44 26.02 1j8c n GLU 29 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1j8c n PRO 30 N -1.89 1.35 -0.95 3.49 -0.04 -1.26 -4.01 135.00 131.69 1j8c n PRO 30 Ca -0.10 -0.30 -0.37 0.00 -0.04 0.00 0.00 63.50 62.69 1j8c n PRO 30 Cb 0.57 -1.53 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.09 1.46 -1.68 0.54 5.02 -1.26 -4.83 118.16 117.50 1j8c n LYS 31 Ca 0.03 -1.63 -0.44 0.00 -2.02 0.00 0.00 58.31 54.25 1j8c n LYS 31 Cb 0.37 -2.74 -0.03 0.00 -0.02 0.00 0.00 35.03 32.61 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 5.61 0.42 -4.09 -0.18 2.08 -1.26 -2.34 119.36 119.60 1j8c n ILE 32 Ca 0.46 -0.08 -0.31 0.00 0.56 0.00 0.00 62.75 63.39 1j8c n ILE 32 Cb 0.32 -2.05 -0.07 0.00 -0.75 0.00 0.00 39.64 37.09 1j8c n ILE 32 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 1j8c s ILE 33 N 3.01 4.33 0.11 1.39 -4.36 -0.22 -4.87 121.20 120.59 1j8c s ILE 33 Ca 0.84 -0.83 -0.13 0.00 -0.26 0.00 0.00 60.65 60.27 1j8c s ILE 33 Cb -0.53 -3.07 -0.06 0.00 1.25 0.00 0.00 42.46 40.05 1j8c s ILE 33 CO 0.40 0.14 0.49 -0.54 0.24 0.00 0.00 174.94 175.67 1j8c s LYS 34 N -2.30 3.91 -0.05 0.37 3.01 -1.26 -2.70 119.74 120.72 1j8c s LYS 34 Ca 0.27 0.39 0.01 0.00 -1.01 0.00 0.00 55.97 55.64 1j8c s LYS 34 Cb -0.12 -3.00 0.02 0.00 -1.01 0.00 0.00 37.83 33.72 1j8c s LYS 34 CO 0.20 0.54 -0.07 0.14 0.51 0.00 0.00 175.35 176.67 1j8c s VAL 35 N -1.38 0.69 -0.41 3.17 -7.23 -0.78 -2.26 120.40 112.20 1j8c s VAL 35 Ca 0.34 -0.23 -0.15 0.00 -1.81 0.00 0.00 61.98 60.13 1j8c s VAL 35 Cb -0.15 -0.68 0.02 0.00 0.56 0.00 0.00 36.38 36.13 1j8c s VAL 35 CO 0.18 0.25 0.33 -0.89 -0.31 0.00 0.00 175.10 174.67 1j8c s THR 36 N 0.78 5.22 -0.19 5.32 2.01 -0.83 -0.59 115.64 127.37 1j8c s THR 36 Ca -0.12 -0.56 -0.14 0.00 0.31 0.00 0.00 61.69 61.18 1j8c s THR 36 Cb -0.14 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1j8c s THR 36 CO 0.01 -0.33 0.29 -0.69 -0.69 0.00 0.00 174.62 173.22 1j8c s VAL 37 N 1.80 5.29 -0.22 3.82 1.01 -1.04 -2.63 120.40 128.42 1j8c s VAL 37 Ca 0.07 0.52 -0.06 0.00 0.00 0.00 0.00 61.98 62.50 1j8c s VAL 37 Cb -0.18 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1j8c s VAL 37 CO 0.11 0.34 0.03 -0.54 0.00 0.00 0.00 175.10 175.05 1j8c s LYS 38 N 0.80 3.65 0.35 2.72 -0.14 -1.09 -2.66 119.74 123.37 1j8c s LYS 38 Ca 0.15 -0.49 0.05 0.00 -1.36 0.00 0.00 55.97 54.32 1j8c s LYS 38 Cb -0.13 -3.19 -0.07 0.00 -1.68 0.00 0.00 37.83 32.76 1j8c s LYS 38 CO 0.05 -0.06 0.04 0.95 -0.76 0.00 0.00 175.35 175.56 1j8c s THR 39 N 1.24 1.44 -1.05 2.17 -4.23 -1.07 -1.27 115.64 112.87 1j8c s THR 39 Ca 0.04 -2.01 -0.07 0.00 -1.18 0.00 0.00 61.69 58.47 1j8c s THR 39 Cb -0.15 -2.84 -0.06 0.00 1.34 0.00 0.00 72.50 70.80 1j8c s THR 39 CO 0.02 -0.01 2.26 -0.81 -0.54 0.00 0.00 174.62 175.54 1j8c n PRO 40 N -0.76 2.37 0.00 3.99 -0.04 -1.26 -3.21 135.00 136.09 1j8c n PRO 40 Ca -0.03 -1.62 0.00 0.00 -0.04 0.00 0.00 63.50 61.81 1j8c n PRO 40 Cb 0.67 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 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 4.22 0.00 -2.28 0.54 4.81 -1.26 -5.16 118.16 119.03 1j8c n LYS 41 Ca 0.51 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.94 1j8c n LYS 41 Cb 0.16 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.22 1j8c n LYS 41 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1j8c n GLU 42 N -1.70 0.18 -4.98 1.64 2.13 -1.20 -5.16 120.64 111.56 1j8c n GLU 42 Ca 0.00 -0.44 -0.29 0.00 0.66 0.00 0.00 57.16 57.09 1j8c n GLU 42 Cb 0.00 0.61 -0.17 0.00 0.27 0.00 0.00 31.44 32.15 1j8c n GLU 42 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1j8c s LYS 43 N -2.01 2.57 -0.05 5.31 2.20 -1.26 -2.60 119.74 123.90 1j8c s LYS 43 Ca 0.08 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 54.98 1j8c s LYS 43 Cb -0.01 -1.99 0.02 0.00 -1.51 0.00 0.00 37.83 34.35 1j8c s LYS 43 CO 0.01 0.12 -0.03 -1.21 -0.36 0.00 0.00 175.35 173.89 1j8c s GLU 44 N 0.47 0.70 0.30 4.03 2.02 -1.09 -5.00 118.70 120.13 1j8c s GLU 44 Ca -0.17 -0.03 -0.18 0.00 0.02 0.00 0.00 54.97 54.61 1j8c s GLU 44 Cb -0.17 -0.81 -0.09 0.00 0.10 0.00 0.00 34.13 33.16 1j8c s GLU 44 CO 0.07 -0.14 0.76 -2.00 0.02 0.00 0.00 175.26 173.98 1j8c s GLU 45 N 1.15 4.15 0.05 1.61 2.12 -1.26 -2.51 118.70 124.01 1j8c s GLU 45 Ca -0.08 0.82 0.07 0.00 0.36 0.00 0.00 54.97 56.15 1j8c s GLU 45 Cb -0.14 -2.59 -0.03 0.00 0.26 0.00 0.00 34.13 31.64 1j8c s GLU 45 CO -0.01 0.23 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.67 1j8c s PHE 46 N -1.82 1.77 -0.18 5.30 0.40 0.24 -4.93 117.98 118.76 1j8c s PHE 46 Ca 0.51 -0.38 -0.09 0.00 -0.60 0.00 0.00 56.93 56.37 1j8c s PHE 46 Cb -0.13 -1.04 -0.05 0.00 0.51 0.00 0.00 43.02 42.32 1j8c s PHE 46 CO 0.19 0.11 0.13 0.00 0.70 0.00 0.00 175.22 176.34 1j8c s ALA 47 N -0.87 3.70 0.00 5.36 0.00 -1.26 -1.86 121.76 126.84 1j8c s ALA 47 Ca 0.07 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 1j8c s ALA 47 Cb -0.09 -2.10 -0.00 0.00 0.00 0.00 0.00 23.12 20.92 1j8c s ALA 47 CO 0.02 0.26 0.09 0.14 0.00 0.00 0.00 175.76 176.27 1j8c s VAL 48 N 0.06 0.08 -0.12 0.00 -7.23 -1.10 -4.99 120.40 107.10 1j8c s VAL 48 Ca 0.09 -0.68 -0.29 0.00 -1.81 0.00 0.00 61.98 59.29 1j8c s VAL 48 Cb -0.11 -0.35 -0.03 0.00 0.56 0.00 0.00 36.38 36.44 1j8c s VAL 48 CO -0.01 -0.37 1.47 -2.16 -0.31 0.00 0.00 175.10 173.72 1j8c s PRO 49 N -1.24 4.16 0.22 4.82 0.04 -1.26 -1.05 135.00 140.69 1j8c s PRO 49 Ca -0.13 1.89 0.10 0.00 0.04 0.00 0.00 61.00 62.89 1j8c s PRO 49 Cb -0.08 -3.89 0.75 0.00 0.04 0.00 0.00 34.50 31.32 1j8c s PRO 49 CO 0.01 -0.83 1.00 -1.91 0.04 0.00 0.00 177.00 175.31 1j8c n GLU 50 N 6.95 -0.04 -1.22 4.56 0.00 -0.99 -0.11 120.64 129.80 1j8c n GLU 50 Ca 0.16 0.90 -0.20 0.00 0.00 0.00 0.00 57.16 58.02 1j8c n GLU 50 Cb 0.44 -1.56 -0.12 0.00 0.00 0.00 0.00 31.44 30.20 1j8c n GLU 50 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1j8c n ASN 51 N -4.56 5.96 -3.94 4.31 5.15 -1.26 -4.36 115.26 116.56 1j8c n ASN 51 Ca 0.21 -2.75 -0.30 0.00 -0.60 0.00 0.00 54.58 51.15 1j8c n ASN 51 Cb 0.72 -1.36 -0.16 0.00 -0.53 0.00 0.00 39.78 38.45 1j8c n ASN 51 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1j8c s SER 52 N 1.41 3.44 0.80 1.20 1.04 0.85 -5.11 113.70 117.33 1j8c s SER 52 Ca 0.64 -0.95 -0.13 0.00 0.48 0.00 0.00 55.95 55.99 1j8c s SER 52 Cb 0.33 -1.12 0.08 0.00 0.10 0.00 0.00 66.02 65.41 1j8c s SER 52 CO -0.08 -0.19 1.18 -0.55 0.98 0.00 0.00 173.24 174.57 1j8c s SER 53 N 1.46 3.73 0.33 7.02 0.15 -1.26 -4.00 113.70 121.14 1j8c s SER 53 Ca -0.03 2.25 0.03 0.00 0.70 0.00 0.00 55.95 58.90 1j8c s SER 53 Cb -0.17 -2.57 0.57 0.00 -1.71 0.00 0.00 66.02 62.14 1j8c s SER 53 CO -0.07 -2.57 1.89 0.58 1.20 0.00 0.00 173.24 174.28 1j8c h VAL 54 N -0.97 1.19 -0.53 4.45 2.07 -1.78 -3.05 116.25 117.64 1j8c h VAL 54 Ca -0.46 -0.67 0.11 0.00 0.82 0.00 0.00 66.70 66.50 1j8c h VAL 54 Cb 1.28 0.73 -0.10 0.00 -1.52 0.00 0.00 31.29 31.68 1j8c h VAL 54 CO 0.47 0.25 -0.14 -0.61 0.02 0.00 0.00 177.57 177.56 1j8c h GLN 55 N 0.64 -0.01 0.46 1.57 4.15 -1.89 1.00 115.11 121.03 1j8c h GLN 55 Ca 0.15 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 1j8c h GLN 55 Cb 0.23 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.92 1j8c h GLN 55 CO -0.00 -0.01 -0.22 0.37 -1.93 0.00 0.00 178.83 177.04 1j8c h GLN 56 N -0.01 -0.59 -0.67 1.69 4.15 -1.90 -2.88 115.11 114.90 1j8c h GLN 56 Ca 0.25 0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.72 1j8c h GLN 56 Cb 0.39 0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 1j8c h GLN 56 CO -0.55 -0.32 0.44 0.35 -1.93 0.00 0.00 178.83 176.82 1j8c h PHE 57 N -0.76 0.83 -0.77 3.99 3.57 -1.43 -2.13 116.94 120.24 1j8c h PHE 57 Ca -0.06 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.53 1j8c h PHE 57 Cb 0.54 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 1j8c h PHE 57 CO -0.01 0.52 0.51 0.87 -2.23 0.00 0.00 178.31 177.97 1j8c h LYS 58 N 0.90 0.77 0.00 1.11 1.57 0.12 -0.51 116.57 120.52 1j8c h LYS 58 Ca 0.25 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 1j8c h LYS 58 Cb -0.09 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 1j8c h LYS 58 CO -0.05 0.51 -0.43 1.49 -0.57 0.00 0.00 179.45 180.40 1j8c h GLU 59 N 0.79 0.00 0.09 3.15 4.81 -1.19 -3.11 114.58 119.13 1j8c h GLU 59 Ca 0.34 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1j8c h GLU 59 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1j8c h GLU 59 CO -0.12 0.43 -0.04 0.00 -0.73 0.00 0.00 179.01 178.54 1j8c h ALA 60 N 1.57 -0.13 0.00 2.92 0.00 -0.81 -2.74 119.26 120.08 1j8c h ALA 60 Ca -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1j8c h ALA 60 Cb 1.28 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1j8c h ALA 60 CO 0.06 -0.36 -0.02 0.97 0.00 0.00 0.00 179.25 179.90 1j8c h ILE 61 N -0.56 0.99 -0.33 0.00 -0.00 -1.48 -2.42 117.51 113.71 1j8c h ILE 61 Ca -0.01 -0.07 -0.06 0.00 -0.00 0.00 0.00 64.86 64.72 1j8c h ILE 61 Cb 0.46 1.04 -0.01 0.00 -0.00 0.00 0.00 36.82 38.30 1j8c h ILE 61 CO 0.02 0.02 -0.01 0.28 -0.00 0.00 0.00 178.15 178.46 1j8c h SER 62 N 0.00 0.58 0.24 2.19 0.02 -1.45 -2.07 113.55 113.07 1j8c h SER 62 Ca -0.00 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1j8c h SER 62 Cb 0.04 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1j8c h SER 62 CO 0.00 0.76 -0.16 0.50 -1.14 0.00 0.00 176.83 176.79 1j8c h LYS 63 N 0.39 -0.39 0.26 3.45 1.63 -1.14 1.20 116.57 121.97 1j8c h LYS 63 Ca 0.09 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 1j8c h LYS 63 Cb 0.47 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 1j8c h LYS 63 CO 0.02 -0.26 -0.12 -0.09 -3.45 0.00 0.00 179.45 175.55 1j8c h ARG 64 N -0.40 -0.33 -0.37 1.90 2.43 -1.57 -2.99 114.38 113.05 1j8c h ARG 64 Ca -0.02 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 1j8c h ARG 64 Cb 0.35 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1j8c h ARG 64 CO 0.01 -0.17 -0.21 0.74 -1.51 0.00 0.00 179.97 178.82 1j8c h PHE 65 N -0.41 0.81 -4.61 2.20 0.04 -1.33 -3.48 116.94 110.16 1j8c h PHE 65 Ca -0.04 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.56 1j8c h PHE 65 Cb 0.31 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.26 1j8c h PHE 65 CO -0.04 0.87 -0.34 1.17 -0.60 0.00 0.00 178.31 179.37 1j8c n LYS 66 N -4.12 -1.65 0.00 1.51 3.00 0.41 -5.01 118.16 112.31 1j8c n LYS 66 Ca 0.00 1.63 0.00 0.00 -0.00 0.00 0.00 58.31 59.94 1j8c n LYS 66 Cb 0.42 -4.45 0.00 0.00 0.00 0.00 0.00 35.03 30.99 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 -0.42 0.00 -1.31 3.14 2.88 -1.24 -5.07 113.62 111.60 1j8c n SER 67 Ca 0.08 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.60 1j8c n SER 67 Cb 0.33 0.31 -0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1j8c n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j8c n GLN 68 N -2.34 0.13 0.17 -1.46 1.13 -1.26 -5.11 117.38 108.65 1j8c n GLN 68 Ca 0.00 -0.43 0.00 0.00 -1.94 0.00 0.00 57.00 54.63 1j8c n GLN 68 Cb 0.00 0.44 0.00 0.00 0.11 0.00 0.00 30.24 30.79 1j8c n GLN 68 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1j8c n THR 69 N -0.09 0.00 0.00 5.09 -1.04 -1.26 -4.56 114.28 112.42 1j8c n THR 69 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1j8c n THR 69 Cb 0.10 -0.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 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 -3.28 0.00 0.29 8.00 9.92 -1.26 -2.57 116.55 127.65 1j8c n ASP 70 Ca 0.00 0.96 0.14 0.00 -0.53 0.00 0.00 54.79 55.36 1j8c n ASP 70 Cb 0.00 -0.46 0.87 0.00 -0.64 0.00 0.00 41.12 40.89 1j8c n ASP 70 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1j8c h GLN 71 N 0.00 0.00 -5.78 -1.24 4.20 -2.00 -3.41 115.11 106.88 1j8c h GLN 71 Ca 0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 1j8c h GLN 71 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1j8c h GLN 71 CO 0.00 0.02 1.52 -0.11 -0.67 0.00 0.00 178.83 179.59 1j8c n LEU 72 N -3.86 2.10 -4.25 1.46 0.00 -1.06 -3.43 117.00 107.95 1j8c n LEU 72 Ca -0.03 0.14 -0.21 0.00 0.00 0.00 0.00 56.01 55.91 1j8c n LEU 72 Cb 0.11 -1.34 -0.12 0.00 0.00 0.00 0.00 43.42 42.07 1j8c n LEU 72 CO 0.28 -0.92 -0.49 -0.69 0.00 0.00 0.00 177.39 175.57 1j8c s VAL 73 N 8.81 1.51 -0.00 1.96 1.01 -1.07 -4.88 120.40 127.74 1j8c s VAL 73 Ca 1.09 -1.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1j8c s VAL 73 Cb -0.68 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1j8c s VAL 73 CO 0.42 -0.18 0.14 -0.76 0.00 0.00 0.00 175.10 174.72 1j8c s LEU 74 N -2.02 4.15 -0.86 3.92 1.02 -1.13 -1.55 118.68 122.21 1j8c s LEU 74 Ca 0.05 0.25 -0.05 0.00 0.02 0.00 0.00 54.13 54.40 1j8c s LEU 74 Cb -0.09 -2.48 0.22 0.00 0.02 0.00 0.00 46.19 43.86 1j8c s LEU 74 CO 0.04 0.26 0.76 -0.63 0.02 0.00 0.00 176.35 176.80 1j8c s ILE 75 N -1.28 4.67 -0.24 -0.59 -1.09 0.79 0.80 121.20 124.25 1j8c s ILE 75 Ca 0.26 -3.40 -0.12 0.00 -2.23 0.00 0.00 60.65 55.16 1j8c s ILE 75 Cb -0.12 -3.90 -0.05 0.00 -1.58 0.00 0.00 42.46 36.81 1j8c s ILE 75 CO 0.17 -1.05 0.22 0.12 -1.23 0.00 0.00 174.94 173.17 1j8c s PHE 76 N -0.85 3.31 -1.38 3.97 5.36 -0.68 -2.63 117.98 125.09 1j8c s PHE 76 Ca 0.24 0.28 0.00 0.00 -0.96 0.00 0.00 56.93 56.50 1j8c s PHE 76 Cb -0.11 -2.34 0.00 0.00 -0.34 0.00 0.00 43.02 40.23 1j8c s PHE 76 CO -0.09 0.00 0.00 0.00 -1.46 0.00 0.00 175.22 173.67 1j8c n ALA 77 N 4.49 -0.55 -1.70 11.12 0.00 -1.26 0.02 120.51 132.62 1j8c n ALA 77 Ca -0.13 0.16 -0.03 0.00 0.00 0.00 0.00 53.44 53.44 1j8c n ALA 77 Cb 0.52 -1.64 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.65 0.38 3.07 0.00 0.00 -1.26 -5.04 105.19 101.69 1j8c n GLY 78 Ca -0.17 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 1j8c n GLY 78 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j8c s LYS 79 N -3.46 1.27 -0.83 1.61 2.20 0.10 -5.05 119.74 115.58 1j8c s LYS 79 Ca 0.00 -0.45 -0.26 0.00 -0.36 0.00 0.00 55.97 54.90 1j8c s LYS 79 Cb 0.00 -1.16 -0.16 0.00 -1.51 0.00 0.00 37.83 35.00 1j8c s LYS 79 CO 0.00 0.20 2.37 0.44 -0.36 0.00 0.00 175.35 178.00 1j8c n ILE 80 N 3.12 0.00 -1.91 5.43 -6.64 -1.26 -1.69 119.36 116.42 1j8c n ILE 80 Ca -0.17 -0.43 -0.23 0.00 -1.77 0.00 0.00 62.75 60.15 1j8c n ILE 80 Cb 0.54 -1.97 -0.06 0.00 -1.44 0.00 0.00 39.64 36.71 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 15.08 2.99 0.00 7.28 0.20 0.24 -4.74 118.68 139.73 1j8c s LEU 81 Ca 0.92 -0.77 0.00 0.00 0.69 0.00 0.00 54.13 54.97 1j8c s LEU 81 Cb -0.13 -2.57 0.00 0.00 -0.43 0.00 0.00 46.19 43.06 1j8c s LEU 81 CO 0.10 -3.27 0.00 1.17 -0.29 0.00 0.00 176.35 174.06 1j8c n LYS 82 N 8.65 0.00 0.25 1.98 4.81 -1.26 -2.85 118.16 129.73 1j8c n LYS 82 Ca 0.43 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 58.01 1j8c n LYS 82 Cb 0.46 0.00 0.46 0.00 0.02 0.00 0.00 35.03 35.97 1j8c n LYS 82 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1j8c h ASP 83 N 0.00 0.00 -0.81 3.14 2.03 -1.87 -3.16 116.42 115.76 1j8c h ASP 83 Ca 0.00 0.00 0.20 0.00 -0.73 0.00 0.00 57.03 56.50 1j8c h ASP 83 Cb 0.00 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.45 1j8c h ASP 83 CO 0.00 0.05 0.55 1.56 -1.03 0.00 0.00 179.24 180.37 1j8c h GLN 84 N 0.00 0.23 -4.61 4.15 1.08 -1.95 -3.41 115.11 110.60 1j8c h GLN 84 Ca -0.00 -0.01 -0.37 0.00 -1.45 0.00 0.00 58.65 56.81 1j8c h GLN 84 Cb 0.74 -0.05 -0.28 0.00 -0.05 0.00 0.00 27.48 27.84 1j8c h GLN 84 CO 0.01 0.15 -0.77 -0.51 -0.95 0.00 0.00 178.83 176.76 1j8c s ASP 85 N -5.80 0.93 0.59 1.46 1.01 -1.19 -5.13 116.67 108.54 1j8c s ASP 85 Ca -0.07 -0.15 -0.20 0.00 0.71 0.00 0.00 52.55 52.84 1j8c s ASP 85 Cb 0.22 -0.10 -0.04 0.00 1.01 0.00 0.00 42.92 44.01 1j8c s ASP 85 CO 0.77 0.09 1.29 0.35 0.21 0.00 0.00 175.17 177.88 1j8c n THR 86 N 2.85 4.21 -0.06 -1.27 -2.24 -1.26 -4.46 114.28 112.05 1j8c n THR 86 Ca -0.13 -0.50 -0.08 0.00 -2.27 0.00 0.00 64.05 61.07 1j8c n THR 86 Cb 0.57 -1.54 -0.01 0.00 -2.10 0.00 0.00 70.33 67.25 1j8c n THR 86 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1j8c h LEU 87 N 1.00 0.06 -0.39 3.22 5.85 -1.87 -0.42 115.31 122.77 1j8c h LEU 87 Ca -0.50 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1j8c h LEU 87 Cb 1.32 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1j8c h LEU 87 CO 0.55 0.07 0.00 2.30 -0.34 0.00 0.00 178.44 181.02 1j8c n ILE 88 N -5.06 0.74 0.58 4.05 -6.64 -1.26 0.38 119.36 112.15 1j8c n ILE 88 Ca -0.01 0.09 0.12 0.00 -1.77 0.00 0.00 62.75 61.18 1j8c n ILE 88 Cb 0.10 -0.96 0.26 0.00 -1.44 0.00 0.00 39.64 37.61 1j8c n ILE 88 CO 0.00 0.00 0.00 -0.61 -1.77 0.00 0.00 176.55 174.17 1j8c h GLN 89 N 0.00 0.00 0.00 6.28 4.15 -1.32 -3.45 115.11 120.77 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 0.45 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.14 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 -2.21 0.00 0.02 3.99 -0.00 -0.94 -4.89 115.22 111.19 1j8c n HIS 90 Ca 0.04 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.11 1j8c n HIS 90 Cb 0.44 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.25 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 0.07 -5.09 1.57 0.00 -1.33 -3.44 103.07 94.84 1j8c h GLY 91 Ca 0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 1j8c h GLY 91 CO 0.00 0.01 -0.61 -0.42 0.00 0.00 0.00 176.54 175.52 1j8c s ILE 92 N -6.19 0.06 -0.12 2.60 -1.09 0.16 -4.80 121.20 111.82 1j8c s ILE 92 Ca -0.13 -0.51 0.05 0.00 -2.23 0.00 0.00 60.65 57.82 1j8c s ILE 92 Cb 0.07 -0.26 -0.11 0.00 -1.58 0.00 0.00 42.46 40.58 1j8c s ILE 92 CO 0.67 -0.28 -0.05 1.41 -1.23 0.00 0.00 174.94 175.46 1j8c n HIS 93 N 2.07 0.00 -1.73 3.97 8.25 -1.26 -4.05 115.22 122.47 1j8c n HIS 93 Ca -0.19 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.26 1j8c n HIS 93 Cb 0.57 -0.51 -0.00 0.00 1.12 0.00 0.00 29.99 31.16 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 -2.66 -0.13 0.00 0.41 2.03 -1.26 -4.97 116.55 109.98 1j8c n ASP 94 Ca -0.21 -0.40 0.00 0.00 0.52 0.00 0.00 54.79 54.71 1j8c n ASP 94 Cb 0.79 0.04 0.00 0.00 -0.72 0.00 0.00 41.12 41.23 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 -0.03 0.48 3.87 0.27 0.00 -0.96 -4.46 105.19 104.36 1j8c n GLY 95 Ca -0.03 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 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 0.07 0.99 1.43 -1.24 -4.94 118.68 118.01 1j8c s LEU 96 Ca 0.00 -1.04 0.08 0.00 -1.03 0.00 0.00 54.13 52.14 1j8c s LEU 96 Cb 0.00 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1j8c s LEU 96 CO 0.00 -0.87 -0.17 0.42 0.23 0.00 0.00 176.35 175.96 1j8c s THR 97 N -2.64 2.87 -0.04 5.49 -4.23 -1.26 -1.96 115.64 113.87 1j8c s THR 97 Ca 0.41 -1.30 -0.11 0.00 -1.18 0.00 0.00 61.69 59.51 1j8c s THR 97 Cb -0.02 -2.26 0.02 0.00 1.34 0.00 0.00 72.50 71.58 1j8c s THR 97 CO 0.24 0.23 0.26 0.54 -0.54 0.00 0.00 174.62 175.35 1j8c s VAL 98 N -1.03 0.04 -0.33 2.29 0.11 -1.08 -4.70 120.40 115.70 1j8c s VAL 98 Ca 0.16 -0.34 -0.20 0.00 -2.93 0.00 0.00 61.98 58.67 1j8c s VAL 98 Cb -0.11 -0.48 -0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1j8c s VAL 98 CO 0.08 -0.19 0.63 -1.00 -3.33 0.00 0.00 175.10 171.29 1j8c s HIS 99 N -0.78 3.18 -0.12 1.54 3.76 -1.08 -2.67 115.29 119.13 1j8c s HIS 99 Ca -0.09 0.47 -0.29 0.00 -0.15 0.00 0.00 55.06 55.00 1j8c s HIS 99 Cb -0.05 -3.05 -0.02 0.00 1.11 0.00 0.00 32.58 30.57 1j8c s HIS 99 CO 0.02 -0.54 1.30 -1.17 -0.85 0.00 0.00 174.74 173.50 1j8c s LEU 100 N 2.65 4.22 -0.09 0.89 0.20 -0.40 -0.15 118.68 126.00 1j8c s LEU 100 Ca 0.25 1.79 -0.05 0.00 0.69 0.00 0.00 54.13 56.81 1j8c s LEU 100 Cb -0.15 -3.54 0.04 0.00 -0.43 0.00 0.00 46.19 42.11 1j8c s LEU 100 CO 0.13 -0.74 0.22 -0.69 -0.29 0.00 0.00 176.35 174.98 1j8c s VAL 101 N 3.25 -0.03 -0.18 1.68 1.01 -0.60 -4.80 120.40 120.73 1j8c s VAL 101 Ca 0.57 0.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.58 1j8c s VAL 101 Cb -0.24 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.75 1j8c s VAL 101 CO 0.18 0.05 0.16 0.27 0.00 0.00 0.00 175.10 175.76 1j8c s ILE 102 N 1.04 5.40 -2.08 2.22 -5.25 -1.26 -2.60 121.20 118.67 1j8c s ILE 102 Ca -0.08 0.25 0.31 0.00 -0.99 0.00 0.00 60.65 60.15 1j8c s ILE 102 Cb -0.09 -3.49 0.85 0.00 2.95 0.00 0.00 42.46 42.69 1j8c s ILE 102 CO -0.07 0.45 2.15 0.29 -1.79 0.00 0.00 174.94 175.98