#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 5.31 -0.02 3.04 0.00 -1.26 -4.25 120.51 123.33 1j8c n ALA 2 Ca 0.00 -2.69 -0.02 0.00 0.00 0.00 0.00 53.44 50.73 1j8c n ALA 2 Cb 0.00 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.03 1j8c n ALA 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1j8c n GLU 3 N -0.90 2.10 -3.80 0.00 4.07 -1.26 -4.92 120.64 115.93 1j8c n GLU 3 Ca 0.54 0.01 -0.36 0.00 -0.06 0.00 0.00 57.16 57.30 1j8c n GLU 3 Cb 1.59 -1.08 -0.12 0.00 -0.06 0.00 0.00 31.44 31.76 1j8c n GLU 3 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 1j8c s ASN 4 N -3.81 5.20 0.92 4.31 0.01 -1.26 -5.09 114.94 115.22 1j8c s ASN 4 Ca -0.03 -1.99 -0.11 0.00 -0.71 0.00 0.00 52.86 50.01 1j8c s ASN 4 Cb 0.01 -1.81 0.14 0.00 0.41 0.00 0.00 41.25 40.01 1j8c s ASN 4 CO 0.12 -0.51 1.09 -0.83 -1.51 0.00 0.00 177.10 175.46 1j8c s GLY 5 N 1.72 1.62 0.10 0.66 0.00 -1.26 -5.00 107.32 105.17 1j8c s GLY 5 Ca 0.08 0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.86 1j8c s GLY 5 CO -0.04 0.55 0.00 1.18 0.00 0.00 0.00 173.10 174.79 1j8c n GLU 6 N -4.03 0.00 -0.04 2.90 1.02 -1.26 -4.99 120.64 114.24 1j8c n GLU 6 Ca 0.07 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.17 1j8c n GLU 6 Cb 0.54 -0.02 -0.06 0.00 -0.02 0.00 0.00 31.44 31.89 1j8c n GLU 6 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1j8c n SER 7 N -2.86 3.08 -3.65 1.62 3.41 -1.26 -5.02 113.62 108.95 1j8c n SER 7 Ca 0.00 -0.01 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 1j8c n SER 7 Cb 0.00 0.61 -0.07 0.00 -0.26 0.00 0.00 64.21 64.49 1j8c n SER 7 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1j8c s SER 8 N -4.07 -0.94 0.00 4.04 0.15 -1.26 -5.10 113.70 106.52 1j8c s SER 8 Ca -0.05 1.46 0.00 0.00 0.70 0.00 0.00 55.95 58.06 1j8c s SER 8 Cb 0.02 1.62 0.00 0.00 -1.71 0.00 0.00 66.02 65.95 1j8c s SER 8 CO 0.31 -0.23 0.23 0.61 1.20 0.00 0.00 173.24 175.36 1j8c n GLY 9 N 4.71 -2.05 3.79 9.45 0.00 -1.26 -4.82 105.19 115.01 1j8c n GLY 9 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.47 2.03 0.45 1.61 0.04 -1.26 -4.95 135.00 132.45 1j8c s PRO 10 Ca 0.00 0.75 0.25 0.00 0.04 0.00 0.00 61.00 62.04 1j8c s PRO 10 Cb 0.00 -1.90 0.88 0.00 0.04 0.00 0.00 34.50 33.52 1j8c s PRO 10 CO 0.00 -1.69 1.81 -1.00 0.04 0.00 0.00 177.00 176.16 1j8c h PRO 11 N -1.14 0.00 -4.37 0.56 0.13 -2.05 -3.39 132.00 121.74 1j8c h PRO 11 Ca -0.47 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 63.95 1j8c h PRO 11 Cb 1.26 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.08 1j8c h PRO 11 CO 0.57 0.19 -0.46 0.50 -0.23 0.00 0.00 178.00 178.58 1j8c s ARG 12 N -3.57 2.27 0.54 0.86 3.52 -1.26 -5.08 118.95 116.24 1j8c s ARG 12 Ca 0.01 -1.80 -0.19 0.00 -0.13 0.00 0.00 55.73 53.63 1j8c s ARG 12 Cb 0.09 -3.78 -0.06 0.00 -1.56 0.00 0.00 34.95 29.65 1j8c s ARG 12 CO 0.63 -1.14 1.09 -1.25 -0.81 0.00 0.00 175.30 173.82 1j8c s PRO 13 N 1.26 3.43 0.30 5.12 0.04 -1.26 -5.05 135.00 138.83 1j8c s PRO 13 Ca 0.07 1.46 -0.14 0.00 0.04 0.00 0.00 61.00 62.42 1j8c s PRO 13 Cb -0.25 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.28 1j8c s PRO 13 CO -0.02 -0.76 0.61 -1.12 0.04 0.00 0.00 177.00 175.75 1j8c s SER 14 N -2.06 0.02 0.03 6.66 0.01 -1.26 -5.18 113.70 111.92 1j8c s SER 14 Ca 0.69 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1j8c s SER 14 Cb -0.20 0.69 -0.00 0.00 0.21 0.00 0.00 66.02 66.72 1j8c s SER 14 CO 0.28 -1.33 0.01 -1.14 0.41 0.00 0.00 173.24 171.46 1j8c n ARG 15 N -0.46 1.28 -2.67 12.44 0.63 -1.26 -5.12 116.66 121.49 1j8c n ARG 15 Ca -0.03 -0.23 -0.04 0.00 -0.92 0.00 0.00 57.85 56.63 1j8c n ARG 15 Cb 0.61 0.10 0.06 0.00 0.45 0.00 0.00 32.46 33.67 1j8c n ARG 15 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j8c n GLY 16 N 3.03 -1.65 0.00 5.14 0.00 -1.26 -5.16 105.19 105.29 1j8c n GLY 16 Ca -0.01 1.08 0.00 0.00 0.00 0.00 0.00 46.02 47.09 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 1.98 -0.34 0.05 1.61 -0.04 -1.26 -5.00 135.00 132.00 1j8c n PRO 17 Ca 0.06 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.29 1j8c n PRO 17 Cb 0.68 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.99 1j8c n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j8c h ALA 18 N -2.00 0.24 -3.05 0.55 0.00 -2.08 -3.41 119.26 109.50 1j8c h ALA 18 Ca 0.00 -1.22 -0.62 0.00 0.00 0.00 0.00 54.91 53.07 1j8c h ALA 18 Cb 0.00 0.53 -0.42 0.00 0.00 0.00 0.00 17.79 17.90 1j8c h ALA 18 CO 0.00 1.11 -0.57 0.00 0.00 0.00 0.00 179.25 179.79 1j8c n ALA 19 N -2.91 3.45 -1.73 0.00 0.00 -1.26 -5.08 120.51 112.98 1j8c n ALA 19 Ca -0.27 -4.55 -0.02 0.00 0.00 0.00 0.00 53.44 48.60 1j8c n ALA 19 Cb 1.07 -1.03 0.02 0.00 0.00 0.00 0.00 19.45 19.51 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 1.91 -0.06 -3.40 0.00 0.00 -1.26 -5.08 120.51 112.61 1j8c n ALA 20 Ca 0.20 -0.18 -0.33 0.00 0.00 0.00 0.00 53.44 53.13 1j8c n ALA 20 Cb 0.35 0.01 -0.16 0.00 0.00 0.00 0.00 19.45 19.66 1j8c n ALA 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1j8c s GLN 21 N -2.94 3.18 -0.31 0.00 0.74 -1.26 -5.08 119.66 113.99 1j8c s GLN 21 Ca 0.07 -0.78 -0.02 0.00 0.05 0.00 0.00 55.36 54.68 1j8c s GLN 21 Cb -0.00 -2.54 0.10 0.00 1.10 0.00 0.00 33.01 31.67 1j8c s GLN 21 CO 0.05 0.06 0.13 0.20 -0.55 0.00 0.00 175.29 175.18 1j8c s GLY 22 N 0.68 0.81 -0.44 2.59 0.00 -1.26 -5.04 107.32 104.66 1j8c s GLY 22 Ca -0.09 -1.46 0.05 0.00 0.00 0.00 0.00 44.72 43.23 1j8c s GLY 22 CO 0.02 1.86 0.73 -0.45 0.00 0.00 0.00 173.10 175.25 1j8c s SER 23 N 1.74 -1.34 0.47 1.64 0.15 -1.26 -5.14 113.70 109.96 1j8c s SER 23 Ca 0.10 -1.04 -0.24 0.00 0.70 0.00 0.00 55.95 55.48 1j8c s SER 23 Cb -0.17 1.73 -0.07 0.00 -1.71 0.00 0.00 66.02 65.79 1j8c s SER 23 CO -0.28 -0.11 1.27 0.00 1.20 0.00 0.00 173.24 175.33 1j8c s ALA 24 N 1.47 3.03 -1.51 5.45 0.00 -1.26 -4.87 121.76 124.06 1j8c s ALA 24 Ca 0.21 1.16 -0.09 0.00 0.00 0.00 0.00 51.96 53.24 1j8c s ALA 24 Cb -0.01 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 1j8c s ALA 24 CO -0.07 -0.93 2.97 0.00 0.00 0.00 0.00 175.76 177.72 1j8c n ALA 25 N -0.44 7.46 -2.79 0.00 0.00 -1.26 -4.46 120.51 119.02 1j8c n ALA 25 Ca 0.07 -3.47 -0.08 0.00 0.00 0.00 0.00 53.44 49.95 1j8c n ALA 25 Cb 0.46 -3.27 0.03 0.00 0.00 0.00 0.00 19.45 16.66 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 3.38 -1.22 0.18 0.00 0.00 -1.26 -4.98 120.51 116.61 1j8c n ALA 26 Ca 0.76 -1.47 0.05 0.00 0.00 0.00 0.00 53.44 52.78 1j8c n ALA 26 Cb 0.27 -1.33 0.29 0.00 0.00 0.00 0.00 19.45 18.68 1j8c n ALA 26 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1j8c h PRO 27 N 4.23 0.00 -6.21 0.00 0.13 -2.01 -3.43 132.00 124.71 1j8c h PRO 27 Ca -0.09 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.48 1j8c h PRO 27 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1j8c h PRO 27 CO 0.27 0.41 1.30 0.00 -0.23 0.00 0.00 178.00 179.75 1j8c s ALA 28 N -3.51 3.21 0.22 -0.56 0.00 -1.26 -4.97 121.76 114.89 1j8c s ALA 28 Ca 0.01 0.93 0.06 0.00 0.00 0.00 0.00 51.96 52.95 1j8c s ALA 28 Cb 0.11 -3.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 1j8c s ALA 28 CO 0.70 -2.08 0.22 -1.21 0.00 0.00 0.00 175.76 173.39 1j8c s GLU 29 N 5.16 3.07 0.00 0.00 0.41 -1.26 -5.05 118.70 121.02 1j8c s GLU 29 Ca 0.88 -0.91 0.00 0.00 -0.41 0.00 0.00 54.97 54.54 1j8c s GLU 29 Cb -0.35 -2.69 0.00 0.00 -1.78 0.00 0.00 34.13 29.31 1j8c s GLU 29 CO 0.36 0.44 0.00 -0.35 -0.49 0.00 0.00 175.26 175.22 1j8c n PRO 30 N -0.96 0.00 -4.28 0.39 -0.04 -1.26 -3.91 135.00 124.94 1j8c n PRO 30 Ca -0.08 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.03 1j8c n PRO 30 Cb 0.57 -0.13 -0.05 0.00 -0.04 0.00 0.00 33.50 33.84 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 -2.15 -1.59 0.54 5.02 -1.26 -1.14 118.16 117.59 1j8c n LYS 31 Ca 0.00 0.27 -0.45 0.00 -2.02 0.00 0.00 58.31 56.11 1j8c n LYS 31 Cb 0.00 -4.63 -0.04 0.00 -0.02 0.00 0.00 35.03 30.34 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 -4.34 0.38 -3.14 -0.18 -0.00 -1.26 -2.27 119.36 108.55 1j8c n ILE 32 Ca -0.05 -0.37 -0.29 0.00 -0.00 0.00 0.00 62.75 62.03 1j8c n ILE 32 Cb 0.55 -2.34 -0.03 0.00 -0.00 0.00 0.00 39.64 37.81 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 7.47 4.92 0.08 1.39 -4.36 0.19 -4.74 121.20 126.14 1j8c s ILE 33 Ca 1.01 0.31 -0.10 0.00 -0.26 0.00 0.00 60.65 61.60 1j8c s ILE 33 Cb -0.46 -3.73 -0.06 0.00 1.25 0.00 0.00 42.46 39.47 1j8c s ILE 33 CO 0.39 -0.39 0.40 -0.75 0.24 0.00 0.00 174.94 174.83 1j8c s LYS 34 N -3.63 3.77 -0.06 0.37 2.20 -1.26 -2.66 119.74 118.46 1j8c s LYS 34 Ca 0.47 0.19 -0.02 0.00 -0.36 0.00 0.00 55.97 56.25 1j8c s LYS 34 Cb -0.11 -3.01 0.03 0.00 -1.51 0.00 0.00 37.83 33.24 1j8c s LYS 34 CO 0.30 0.57 0.04 0.54 -0.36 0.00 0.00 175.35 176.44 1j8c s VAL 35 N -1.38 0.05 -0.62 4.02 0.11 -0.89 -2.10 120.40 119.59 1j8c s VAL 35 Ca 0.33 0.28 -0.23 0.00 -2.93 0.00 0.00 61.98 59.42 1j8c s VAL 35 Cb -0.14 -0.31 0.06 0.00 -1.53 0.00 0.00 36.38 34.45 1j8c s VAL 35 CO 0.18 0.17 0.97 -0.89 -3.33 0.00 0.00 175.10 172.19 1j8c s THR 36 N 2.10 4.32 -0.18 5.04 2.01 -0.19 -0.85 115.64 127.90 1j8c s THR 36 Ca 0.05 -0.08 -0.14 0.00 0.31 0.00 0.00 61.69 61.83 1j8c s THR 36 Cb -0.12 -4.64 -0.05 0.00 0.01 0.00 0.00 72.50 67.70 1j8c s THR 36 CO -0.04 -1.35 0.30 -0.69 -0.69 0.00 0.00 174.62 172.15 1j8c s VAL 37 N 4.11 5.29 -0.18 3.82 1.01 -1.02 -2.66 120.40 130.76 1j8c s VAL 37 Ca 0.26 0.53 -0.04 0.00 0.00 0.00 0.00 61.98 62.73 1j8c s VAL 37 Cb -0.15 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1j8c s VAL 37 CO 0.14 0.35 -0.03 -1.59 0.00 0.00 0.00 175.10 173.97 1j8c s LYS 38 N 0.73 3.58 0.44 2.72 0.00 -1.24 -2.61 119.74 123.37 1j8c s LYS 38 Ca 0.16 -0.55 0.03 0.00 0.00 0.00 0.00 55.97 55.61 1j8c s LYS 38 Cb -0.13 -2.97 -0.03 0.00 0.00 0.00 0.00 37.83 34.69 1j8c s LYS 38 CO 0.05 0.08 0.04 0.95 0.00 0.00 0.00 175.35 176.47 1j8c s THR 39 N 0.79 1.18 -0.91 3.79 -4.23 -1.07 -2.69 115.64 112.50 1j8c s THR 39 Ca -0.01 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.41 1j8c s THR 39 Cb -0.14 -2.44 -0.07 0.00 1.34 0.00 0.00 72.50 71.19 1j8c s THR 39 CO 0.02 0.00 2.09 -0.81 -0.54 0.00 0.00 174.62 175.38 1j8c n PRO 40 N -1.05 2.01 0.00 3.99 -0.04 -1.26 -3.20 135.00 135.45 1j8c n PRO 40 Ca -0.11 -1.55 0.00 0.00 -0.04 0.00 0.00 63.50 61.80 1j8c n PRO 40 Cb 0.66 -2.55 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 4.70 0.00 -3.91 0.54 3.00 -1.26 -5.17 118.16 116.06 1j8c n LYS 41 Ca 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.75 1j8c n LYS 41 Cb 0.18 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.23 1j8c n LYS 41 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1j8c s GLU 42 N -2.00 1.17 -0.17 1.64 0.41 -1.19 -5.15 118.70 113.41 1j8c s GLU 42 Ca 0.00 -0.76 0.00 0.00 -0.41 0.00 0.00 54.97 53.80 1j8c s GLU 42 Cb 0.00 0.32 0.00 0.00 -1.78 0.00 0.00 34.13 32.68 1j8c s GLU 42 CO 0.00 -0.55 -0.16 0.15 -0.49 0.00 0.00 175.26 174.22 1j8c s LYS 43 N -2.10 3.16 -0.02 1.61 1.02 -1.26 -2.60 119.74 119.54 1j8c s LYS 43 Ca 0.24 -0.76 0.01 0.00 0.02 0.00 0.00 55.97 55.48 1j8c s LYS 43 Cb -0.02 -2.65 0.01 0.00 -0.52 0.00 0.00 37.83 34.65 1j8c s LYS 43 CO 0.04 -0.09 -0.05 -2.00 -0.92 0.00 0.00 175.35 172.34 1j8c s GLU 44 N 1.06 0.59 0.32 1.68 2.56 -1.07 -5.00 118.70 118.83 1j8c s GLU 44 Ca -0.01 -0.14 -0.16 0.00 0.00 0.00 0.00 54.97 54.66 1j8c s GLU 44 Cb -0.14 -0.60 -0.09 0.00 2.00 0.00 0.00 34.13 35.29 1j8c s GLU 44 CO -0.04 0.02 0.76 -1.21 -0.56 0.00 0.00 175.26 174.23 1j8c s GLU 45 N 0.37 4.05 0.04 4.30 2.02 -1.26 -2.44 118.70 125.77 1j8c s GLU 45 Ca -0.04 0.73 0.07 0.00 0.02 0.00 0.00 54.97 55.75 1j8c s GLU 45 Cb -0.08 -2.45 -0.03 0.00 0.10 0.00 0.00 34.13 31.68 1j8c s GLU 45 CO -0.00 0.16 -0.21 -0.06 0.02 0.00 0.00 175.26 175.17 1j8c s PHE 46 N -1.96 1.84 -0.20 1.61 0.40 -0.03 -4.91 117.98 114.74 1j8c s PHE 46 Ca 0.54 -0.38 -0.10 0.00 -0.60 0.00 0.00 56.93 56.39 1j8c s PHE 46 Cb -0.11 -1.10 -0.05 0.00 0.51 0.00 0.00 43.02 42.28 1j8c s PHE 46 CO 0.17 0.09 0.15 0.00 0.70 0.00 0.00 175.22 176.33 1j8c s ALA 47 N -0.80 3.68 -0.02 5.36 0.00 -1.26 -2.09 121.76 126.62 1j8c s ALA 47 Ca 0.08 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.31 1j8c s ALA 47 Cb -0.09 -2.20 0.01 0.00 0.00 0.00 0.00 23.12 20.84 1j8c s ALA 47 CO 0.02 0.14 0.11 0.14 0.00 0.00 0.00 175.76 176.17 1j8c s VAL 48 N 0.40 0.04 -0.03 0.00 -7.23 -1.09 -4.98 120.40 107.52 1j8c s VAL 48 Ca 0.09 -0.30 -0.30 0.00 -1.81 0.00 0.00 61.98 59.66 1j8c s VAL 48 Cb -0.11 -0.26 -0.06 0.00 0.56 0.00 0.00 36.38 36.50 1j8c s VAL 48 CO -0.01 -0.17 1.62 -2.16 -0.31 0.00 0.00 175.10 174.07 1j8c s PRO 49 N -0.53 4.20 0.40 4.82 0.04 -1.26 -0.64 135.00 142.03 1j8c s PRO 49 Ca -0.06 2.18 0.32 0.00 0.04 0.00 0.00 61.00 63.48 1j8c s PRO 49 Cb -0.04 -3.87 1.34 0.00 0.04 0.00 0.00 34.50 31.97 1j8c s PRO 49 CO 0.00 -0.80 1.35 0.39 0.04 0.00 0.00 177.00 177.99 1j8c n GLU 50 N 6.67 -0.02 -1.28 4.56 1.02 -0.29 -0.54 120.64 130.75 1j8c n GLU 50 Ca 0.16 1.05 -0.21 0.00 -0.02 0.00 0.00 57.16 58.15 1j8c n GLU 50 Cb 0.42 -2.15 -0.08 0.00 -0.02 0.00 0.00 31.44 29.61 1j8c n GLU 50 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1j8c n ASN 51 N -4.26 6.07 -3.88 1.62 5.15 -1.25 -4.34 115.26 114.37 1j8c n ASN 51 Ca 0.36 -2.96 -0.30 0.00 -0.60 0.00 0.00 54.58 51.08 1j8c n ASN 51 Cb 1.45 -1.28 -0.16 0.00 -0.53 0.00 0.00 39.78 39.26 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 0.87 3.73 0.74 1.20 1.04 0.30 -4.83 113.70 116.75 1j8c s SER 52 Ca 0.58 -1.21 -0.15 0.00 0.48 0.00 0.00 55.95 55.65 1j8c s SER 52 Cb 0.35 -1.05 0.04 0.00 0.10 0.00 0.00 66.02 65.46 1j8c s SER 52 CO -0.14 -0.28 1.24 -0.24 0.98 0.00 0.00 173.24 174.80 1j8c n SER 53 N 4.74 1.46 -0.15 7.02 2.88 -1.26 -4.08 113.62 124.23 1j8c n SER 53 Ca -0.09 0.69 0.11 0.00 -1.33 0.00 0.00 58.87 58.25 1j8c n SER 53 Cb 0.44 -1.53 0.44 0.00 -0.75 0.00 0.00 64.21 62.82 1j8c n SER 53 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1j8c h VAL 54 N -0.29 0.90 -0.84 2.46 2.07 -1.80 -1.71 116.25 117.03 1j8c h VAL 54 Ca -0.48 -0.19 0.20 0.00 0.82 0.00 0.00 66.70 67.05 1j8c h VAL 54 Cb 1.32 0.31 -0.12 0.00 -1.52 0.00 0.00 31.29 31.27 1j8c h VAL 54 CO 0.49 0.10 0.32 -0.61 0.02 0.00 0.00 177.57 177.88 1j8c h GLN 55 N 0.54 0.35 0.07 1.57 4.15 -1.89 1.20 115.11 121.10 1j8c h GLN 55 Ca 0.33 -0.02 -0.25 0.00 0.77 0.00 0.00 58.65 59.48 1j8c h GLN 55 Cb 0.56 -0.08 0.02 0.00 0.21 0.00 0.00 27.48 28.20 1j8c h GLN 55 CO -0.11 0.23 -1.01 0.37 -1.93 0.00 0.00 178.83 176.38 1j8c h GLN 56 N 0.36 0.56 0.09 1.69 5.75 -1.67 -2.90 115.11 119.00 1j8c h GLN 56 Ca 0.51 -0.70 -0.00 0.00 -0.15 0.00 0.00 58.65 58.31 1j8c h GLN 56 Cb 0.92 0.22 0.00 0.00 1.07 0.00 0.00 27.48 29.69 1j8c h GLN 56 CO -0.52 1.29 -0.04 0.35 -2.65 0.00 0.00 178.83 177.26 1j8c h PHE 57 N 0.15 -0.11 -0.32 3.99 3.57 -0.77 0.27 116.94 123.72 1j8c h PHE 57 Ca -0.15 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.43 1j8c h PHE 57 Cb 1.70 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.46 1j8c h PHE 57 CO 0.13 0.28 0.23 1.57 -2.23 0.00 0.00 178.31 178.29 1j8c h LYS 58 N -0.53 0.09 0.00 1.11 5.09 0.13 -0.15 116.57 122.32 1j8c h LYS 58 Ca -0.01 -0.01 -0.18 0.00 0.09 0.00 0.00 60.65 60.54 1j8c h LYS 58 Cb 0.44 -0.02 -0.03 0.00 0.10 0.00 0.00 32.23 32.72 1j8c h LYS 58 CO 0.02 0.06 -1.18 1.49 -2.09 0.00 0.00 179.45 177.75 1j8c h GLU 59 N 0.10 0.00 -0.03 0.07 4.81 -1.36 -3.25 114.58 114.91 1j8c h GLU 59 Ca 0.15 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1j8c h GLU 59 Cb 0.48 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1j8c h GLU 59 CO -0.01 0.47 -0.02 0.00 -0.73 0.00 0.00 179.01 178.72 1j8c h ALA 60 N 1.32 0.04 0.00 2.92 0.00 0.13 -2.94 119.26 120.73 1j8c h ALA 60 Ca -0.12 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1j8c h ALA 60 Cb 1.63 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1j8c h ALA 60 CO 0.07 -0.22 -0.02 0.97 0.00 0.00 0.00 179.25 180.05 1j8c h ILE 61 N -0.34 0.95 -0.43 0.00 -0.00 -1.37 -2.37 117.51 113.95 1j8c h ILE 61 Ca 0.01 -0.07 -0.03 0.00 -0.00 0.00 0.00 64.86 64.77 1j8c h ILE 61 Cb 0.46 1.04 -0.02 0.00 -0.00 0.00 0.00 36.82 38.30 1j8c h ILE 61 CO 0.01 0.02 0.14 0.77 -0.00 0.00 0.00 178.15 179.09 1j8c h SER 62 N 0.00 0.61 -0.79 2.19 4.64 -1.55 -1.61 113.55 117.04 1j8c h SER 62 Ca -0.00 -0.20 0.07 0.00 -0.47 0.00 0.00 61.79 61.19 1j8c h SER 62 Cb 0.04 -0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 61.90 1j8c h SER 62 CO 0.00 0.65 0.46 0.11 -0.87 0.00 0.00 176.83 177.18 1j8c h LYS 63 N 0.55 0.80 0.10 4.77 1.79 -1.34 1.20 116.57 124.44 1j8c h LYS 63 Ca 0.14 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1j8c h LYS 63 Cb 0.25 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1j8c h LYS 63 CO -0.01 0.53 -0.05 -0.09 -1.08 0.00 0.00 179.45 178.76 1j8c h ARG 64 N 0.82 -0.13 -0.37 3.15 9.65 -1.52 -3.26 114.38 122.73 1j8c h ARG 64 Ca 0.36 0.01 -0.10 0.00 -1.10 0.00 0.00 59.98 59.15 1j8c h ARG 64 Cb 0.24 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 1j8c h ARG 64 CO -0.20 0.34 -0.18 0.74 2.80 0.00 0.00 179.97 183.47 1j8c h PHE 65 N -0.67 0.76 -4.80 2.20 0.04 -1.10 -3.48 116.94 109.89 1j8c h PHE 65 Ca -0.01 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.60 1j8c h PHE 65 Cb 0.52 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1j8c h PHE 65 CO 0.09 0.82 -0.37 1.63 -0.60 0.00 0.00 178.31 179.87 1j8c n LYS 66 N -4.14 -1.84 0.22 1.51 5.02 0.41 -4.99 118.16 114.34 1j8c n LYS 66 Ca 0.01 1.76 0.00 0.00 -2.02 0.00 0.00 58.31 58.05 1j8c n LYS 66 Cb 0.39 -4.81 0.00 0.00 -0.02 0.00 0.00 35.03 30.60 1j8c n LYS 66 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1j8c n SER 67 N -0.41 -3.25 -3.56 4.39 2.88 -1.25 -5.08 113.62 107.33 1j8c n SER 67 Ca 0.09 0.81 -0.02 0.00 -1.33 0.00 0.00 58.87 58.42 1j8c n SER 67 Cb 0.37 3.08 0.00 0.00 -0.75 0.00 0.00 64.21 66.91 1j8c n SER 67 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1j8c s GLN 68 N -2.00 1.07 0.00 -1.46 0.74 -1.26 -5.09 119.66 111.66 1j8c s GLN 68 Ca 0.00 -0.65 0.00 0.00 0.05 0.00 0.00 55.36 54.76 1j8c s GLN 68 Cb 0.00 0.33 0.00 0.00 1.10 0.00 0.00 33.01 34.44 1j8c s GLN 68 CO 0.00 -0.50 0.00 2.41 -0.55 0.00 0.00 175.29 176.65 1j8c n THR 69 N -0.61 0.00 0.16 -0.34 -1.04 -1.26 -4.63 114.28 106.56 1j8c n THR 69 Ca -0.04 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.87 1j8c n THR 69 Cb 0.60 -0.17 -0.05 0.00 -1.82 0.00 0.00 70.33 68.89 1j8c n THR 69 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1j8c h ASP 70 N 0.00 -0.70 0.98 8.00 5.19 -1.98 -2.94 116.42 124.97 1j8c h ASP 70 Ca 0.00 0.05 -0.09 0.00 -0.62 0.00 0.00 57.03 56.37 1j8c h ASP 70 Cb 0.00 0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 1j8c h ASP 70 CO 0.00 -0.35 -0.44 1.56 -3.12 0.00 0.00 179.24 176.89 1j8c h GLN 71 N -0.53 0.00 -6.62 3.56 4.20 -1.96 -3.45 115.11 110.31 1j8c h GLN 71 Ca -0.04 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.09 1j8c h GLN 71 Cb 0.45 0.00 0.11 0.00 0.30 0.00 0.00 27.48 28.34 1j8c h GLN 71 CO -0.02 0.44 0.35 -0.11 -0.67 0.00 0.00 178.83 178.82 1j8c n LEU 72 N -3.47 2.77 -3.65 1.46 7.94 -1.11 -1.95 117.00 118.99 1j8c n LEU 72 Ca 0.00 1.19 -0.00 0.00 -1.11 0.00 0.00 56.01 56.09 1j8c n LEU 72 Cb 0.58 -1.40 -0.01 0.00 0.53 0.00 0.00 43.42 43.12 1j8c n LEU 72 CO 0.38 -0.88 0.95 0.54 -1.11 0.00 0.00 177.39 177.27 1j8c s VAL 73 N -1.03 0.00 -0.20 1.96 0.11 -0.73 -4.87 120.40 115.64 1j8c s VAL 73 Ca 0.57 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 1j8c s VAL 73 Cb -0.63 -1.90 0.02 0.00 -1.53 0.00 0.00 36.38 32.34 1j8c s VAL 73 CO 0.61 0.00 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.46 1j8c s LEU 74 N -2.90 2.43 -0.61 2.54 1.43 -1.15 -0.79 118.68 119.62 1j8c s LEU 74 Ca 0.13 -0.69 -0.25 0.00 -1.03 0.00 0.00 54.13 52.29 1j8c s LEU 74 Cb 0.03 -1.54 0.04 0.00 0.03 0.00 0.00 46.19 44.75 1j8c s LEU 74 CO -0.02 -0.03 1.05 -0.51 0.23 0.00 0.00 176.35 177.07 1j8c s ILE 75 N 1.31 4.19 -0.20 -0.59 -1.16 0.24 0.17 121.20 125.17 1j8c s ILE 75 Ca 0.04 0.25 -0.18 0.00 -0.51 0.00 0.00 60.65 60.24 1j8c s ILE 75 Cb -0.14 -4.67 -0.03 0.00 0.61 0.00 0.00 42.46 38.23 1j8c s ILE 75 CO -0.10 -1.36 0.51 0.12 -2.81 0.00 0.00 174.94 171.29 1j8c s PHE 76 N 4.45 3.37 -0.70 3.50 2.19 -0.85 -2.81 117.98 127.13 1j8c s PHE 76 Ca 0.31 0.76 -0.32 0.00 0.33 0.00 0.00 56.93 58.01 1j8c s PHE 76 Cb -0.12 -2.66 -0.16 0.00 -1.31 0.00 0.00 43.02 38.77 1j8c s PHE 76 CO 0.17 -0.10 2.47 0.00 1.83 0.00 0.00 175.22 179.59 1j8c n ALA 77 N 4.79 0.55 0.00 11.12 0.00 -1.26 -0.02 120.51 135.69 1j8c n ALA 77 Ca -0.05 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1j8c n ALA 77 Cb 0.50 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.42 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 6.50 1.32 0.00 0.00 0.00 -1.26 -5.08 105.19 106.68 1j8c n GLY 78 Ca 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 0.00 -3.81 1.61 4.81 0.96 -5.14 118.16 116.60 1j8c n LYS 79 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.08 1j8c n LYS 79 Cb 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 34.92 1j8c n LYS 79 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1j8c s ILE 80 N -2.67 3.89 -0.78 3.15 -1.09 -1.26 -2.01 121.20 120.43 1j8c s ILE 80 Ca 0.00 -0.45 -0.23 0.00 -2.23 0.00 0.00 60.65 57.74 1j8c s ILE 80 Cb 0.00 -2.87 -0.16 0.00 -1.58 0.00 0.00 42.46 37.85 1j8c s ILE 80 CO 0.00 0.28 1.91 -0.11 -1.23 0.00 0.00 174.94 175.79 1j8c n LEU 81 N 4.86 3.84 0.00 2.97 0.00 0.46 -4.70 117.00 124.43 1j8c n LEU 81 Ca -0.16 -2.86 0.00 0.00 0.00 0.00 0.00 56.01 52.99 1j8c n LEU 81 Cb 0.50 -1.15 0.00 0.00 0.00 0.00 0.00 43.42 42.77 1j8c n LEU 81 CO 0.30 -0.59 0.00 2.29 0.00 0.00 0.00 177.39 179.39 1j8c n LYS 82 N 7.18 0.78 0.07 1.96 2.85 -1.26 -2.93 118.16 126.81 1j8c n LYS 82 Ca 0.49 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.86 1j8c n LYS 82 Cb 0.41 0.00 0.44 0.00 -0.65 0.00 0.00 35.03 35.23 1j8c n LYS 82 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1j8c n ASP 83 N 0.00 0.43 -0.22 -5.58 5.68 -1.26 -3.53 116.55 112.06 1j8c n ASP 83 Ca 0.00 0.58 0.22 0.00 -0.50 0.00 0.00 54.79 55.09 1j8c n ASP 83 Cb 0.00 -0.68 0.58 0.00 -1.14 0.00 0.00 41.12 39.87 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 0.27 -3.95 0.11 4.15 -1.96 -3.42 115.11 110.31 1j8c h GLN 84 Ca 0.00 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.28 1j8c h GLN 84 Cb 0.42 -0.06 -0.17 0.00 0.21 0.00 0.00 27.48 27.88 1j8c h GLN 84 CO 0.00 0.18 -0.57 -0.51 -1.93 0.00 0.00 178.83 176.00 1j8c s ASP 85 N -5.63 0.27 0.62 -0.69 1.01 -1.23 -5.14 116.67 105.88 1j8c s ASP 85 Ca -0.07 -0.68 -0.19 0.00 0.71 0.00 0.00 52.55 52.32 1j8c s ASP 85 Cb 0.22 0.22 -0.02 0.00 1.01 0.00 0.00 42.92 44.35 1j8c s ASP 85 CO 0.78 -0.54 1.26 0.42 0.21 0.00 0.00 175.17 177.30 1j8c s THR 86 N -3.00 2.30 0.15 -1.27 -4.23 -1.26 -4.47 115.64 103.85 1j8c s THR 86 Ca -0.02 0.19 -0.17 0.00 -1.18 0.00 0.00 61.69 60.51 1j8c s THR 86 Cb 0.01 -3.08 0.01 0.00 1.34 0.00 0.00 72.50 70.78 1j8c s THR 86 CO -0.06 -0.04 1.74 0.25 -0.54 0.00 0.00 174.62 175.97 1j8c h LEU 87 N 0.76 0.07 -0.87 4.79 5.85 -1.88 -1.09 115.31 122.93 1j8c h LEU 87 Ca -0.51 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1j8c h LEU 87 Cb 1.32 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1j8c h LEU 87 CO 0.54 0.07 0.00 0.16 -0.34 0.00 0.00 178.44 178.88 1j8c h ILE 88 N 0.21 0.00 -0.00 4.05 -0.00 -1.76 0.99 117.51 121.00 1j8c h ILE 88 Ca 0.14 -0.55 0.00 0.00 -0.00 0.00 0.00 64.86 64.45 1j8c h ILE 88 Cb 0.14 1.50 0.00 0.00 -0.00 0.00 0.00 36.82 38.46 1j8c h ILE 88 CO -0.17 0.00 -0.26 1.67 -0.00 0.00 0.00 178.15 179.39 1j8c n GLN 89 N -2.85 0.01 0.00 0.16 7.27 -0.47 -4.73 117.38 116.78 1j8c n GLN 89 Ca 0.02 -0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.09 1j8c n GLN 89 Cb 0.35 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.50 1j8c n GLN 89 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1j8c n HIS 90 N -1.49 0.00 -0.09 3.69 8.25 -0.86 -4.86 115.22 119.85 1j8c n HIS 90 Ca 0.06 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.44 1j8c n HIS 90 Cb 0.34 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.44 1j8c n HIS 90 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1j8c h GLY 91 N 0.00 0.45 -3.75 -1.41 0.00 -1.06 -3.45 103.07 93.85 1j8c h GLY 91 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 1j8c h GLY 91 CO 0.00 0.13 -0.44 -0.42 0.00 0.00 0.00 176.54 175.81 1j8c s ILE 92 N -6.16 0.13 -0.07 2.60 -1.09 0.32 -4.89 121.20 112.04 1j8c s ILE 92 Ca -0.13 -1.06 -0.00 0.00 -2.23 0.00 0.00 60.65 57.22 1j8c s ILE 92 Cb 0.10 -1.03 -0.04 0.00 -1.58 0.00 0.00 42.46 39.91 1j8c s ILE 92 CO 0.71 -0.59 -0.07 1.41 -1.23 0.00 0.00 174.94 175.18 1j8c n HIS 93 N 0.51 0.00 -2.02 3.97 8.25 -1.26 -4.14 115.22 120.53 1j8c n HIS 93 Ca -0.18 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1j8c n HIS 93 Cb 0.60 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.46 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 -2.84 -0.09 0.00 0.41 2.03 -1.26 -4.98 116.55 109.82 1j8c n ASP 94 Ca -0.12 -0.62 0.00 0.00 0.52 0.00 0.00 54.79 54.57 1j8c n ASP 94 Cb 0.62 0.04 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 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 -0.06 0.33 3.66 0.27 0.00 -0.89 -4.49 105.19 104.01 1j8c n GLY 95 Ca -0.02 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 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 3.23 0.05 0.99 1.43 -1.17 -4.91 118.68 118.30 1j8c s LEU 96 Ca 0.00 -0.62 0.07 0.00 -1.03 0.00 0.00 54.13 52.54 1j8c s LEU 96 Cb 0.00 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 1j8c s LEU 96 CO 0.00 -0.01 -0.16 0.28 0.23 0.00 0.00 176.35 176.70 1j8c s THR 97 N -2.32 2.98 0.07 5.49 -1.32 -1.26 -1.02 115.64 118.26 1j8c s THR 97 Ca 0.32 -1.15 -0.07 0.00 -1.21 0.00 0.00 61.69 59.57 1j8c s THR 97 Cb -0.06 -2.28 -0.01 0.00 -1.51 0.00 0.00 72.50 68.64 1j8c s THR 97 CO 0.20 0.31 0.15 -0.69 -2.21 0.00 0.00 174.62 172.38 1j8c s VAL 98 N -0.98 0.15 -0.16 5.08 1.01 -1.09 -4.92 120.40 119.50 1j8c s VAL 98 Ca 0.16 -1.20 -0.22 0.00 0.00 0.00 0.00 61.98 60.72 1j8c s VAL 98 Cb -0.11 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1j8c s VAL 98 CO 0.07 -0.66 0.65 -1.00 0.00 0.00 0.00 175.10 174.15 1j8c s HIS 99 N -3.45 3.44 0.29 5.22 3.76 -1.12 -3.59 115.29 119.83 1j8c s HIS 99 Ca 0.02 1.03 -0.21 0.00 -0.15 0.00 0.00 55.06 55.74 1j8c s HIS 99 Cb 0.03 -2.80 -0.09 0.00 1.11 0.00 0.00 32.58 30.83 1j8c s HIS 99 CO -0.09 -0.09 0.82 -1.17 -0.85 0.00 0.00 174.74 173.36 1j8c s LEU 100 N 1.58 4.26 -0.02 0.89 0.20 -1.10 0.83 118.68 125.32 1j8c s LEU 100 Ca 0.31 1.56 -0.29 0.00 0.69 0.00 0.00 54.13 56.40 1j8c s LEU 100 Cb -0.16 -3.89 0.10 0.00 -0.43 0.00 0.00 46.19 41.81 1j8c s LEU 100 CO 0.12 -0.07 0.90 0.54 -0.29 0.00 0.00 176.35 177.55 1j8c s VAL 101 N -1.68 0.00 -0.10 1.68 0.11 0.02 -4.84 120.40 115.59 1j8c s VAL 101 Ca 0.49 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.52 1j8c s VAL 101 Cb -0.16 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.66 1j8c s VAL 101 CO 0.21 0.00 -0.02 0.27 -3.33 0.00 0.00 175.10 172.22 1j8c s ILE 102 N -2.93 4.10 -1.88 7.04 -0.00 -1.26 -1.77 121.20 124.48 1j8c s ILE 102 Ca 0.04 -0.32 0.15 0.00 -0.00 0.00 0.00 60.65 60.53 1j8c s ILE 102 Cb -0.01 -2.73 0.12 0.00 -0.00 0.00 0.00 42.46 39.84 1j8c s ILE 102 CO -0.08 0.57 0.98 0.29 -0.00 0.00 0.00 174.94 176.70