#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 1.28 -3.14 3.04 0.00 -1.26 -5.10 120.51 115.34 1j8c n ALA 2 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1j8c n ALA 2 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -3.12 -2.12 -2.13 0.00 0.00 -1.26 -4.80 120.64 107.22 1j8c n GLU 3 Ca 0.00 1.78 -0.42 0.00 0.00 0.00 0.00 57.16 58.52 1j8c n GLU 3 Cb 0.00 -4.28 -0.03 0.00 0.00 0.00 0.00 31.44 27.14 1j8c n GLU 3 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1j8c s ASN 4 N -2.26 5.85 -0.46 4.31 0.01 -1.26 -4.92 114.94 116.21 1j8c s ASN 4 Ca 0.27 0.84 -0.27 0.00 -0.71 0.00 0.00 52.86 52.99 1j8c s ASN 4 Cb -0.05 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.06 1j8c s ASN 4 CO 0.81 -1.82 1.83 -0.83 -1.51 0.00 0.00 177.10 175.58 1j8c s GLY 5 N 5.96 0.50 -0.04 0.66 0.00 -1.26 -4.96 107.32 108.18 1j8c s GLY 5 Ca 0.70 -0.16 0.07 0.00 0.00 0.00 0.00 44.72 45.33 1j8c s GLY 5 CO 0.29 3.35 -0.25 1.85 0.00 0.00 0.00 173.10 178.34 1j8c s GLU 6 N 6.33 2.24 -0.10 2.90 2.12 -1.26 -5.12 118.70 125.81 1j8c s GLU 6 Ca 0.74 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 55.18 1j8c s GLU 6 Cb -0.18 -2.04 0.02 0.00 0.26 0.00 0.00 34.13 32.20 1j8c s GLU 6 CO 0.28 0.47 -0.09 -1.54 -0.54 0.00 0.00 175.26 173.84 1j8c s SER 7 N -0.40 2.04 0.44 -1.70 1.04 -1.26 -5.14 113.70 108.72 1j8c s SER 7 Ca 0.04 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1j8c s SER 7 Cb -0.11 -0.84 0.00 0.00 0.10 0.00 0.00 66.02 65.17 1j8c s SER 7 CO 0.01 -0.07 0.00 -1.20 0.98 0.00 0.00 173.24 172.96 1j8c n SER 8 N 4.58 0.00 0.00 7.02 7.64 -1.26 -5.10 113.62 126.50 1j8c n SER 8 Ca -0.16 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 58.79 1j8c n SER 8 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 5.00 -0.56 3.73 0.23 0.00 -1.26 -5.12 105.19 107.22 1j8c n GLY 9 Ca 0.00 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.19 4.48 0.27 1.61 0.04 -1.26 -4.93 135.00 134.01 1j8c s PRO 10 Ca 0.00 1.86 0.11 0.00 0.04 0.00 0.00 61.00 63.01 1j8c s PRO 10 Cb 0.00 -3.26 0.33 0.00 0.04 0.00 0.00 34.50 31.60 1j8c s PRO 10 CO 0.00 -0.13 1.59 -1.00 0.04 0.00 0.00 177.00 177.50 1j8c h PRO 11 N 5.60 0.00 -3.94 0.56 0.13 -2.05 -3.38 132.00 128.92 1j8c h PRO 11 Ca -0.44 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 63.96 1j8c h PRO 11 Cb 1.21 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.03 1j8c h PRO 11 CO 0.76 0.63 -0.28 0.50 -0.23 0.00 0.00 178.00 179.39 1j8c s ARG 12 N -3.51 2.75 1.17 0.86 3.52 -1.26 -4.92 118.95 117.56 1j8c s ARG 12 Ca -0.01 -2.21 -0.19 0.00 -0.13 0.00 0.00 55.73 53.19 1j8c s ARG 12 Cb 0.12 -3.96 0.28 0.00 -1.56 0.00 0.00 34.95 29.84 1j8c s ARG 12 CO 0.76 -1.20 1.18 -1.25 -0.81 0.00 0.00 175.30 173.97 1j8c s PRO 13 N 0.55 -0.98 -0.14 5.12 0.04 -1.26 -5.02 135.00 133.30 1j8c s PRO 13 Ca 0.13 -0.25 0.22 0.00 0.04 0.00 0.00 61.00 61.14 1j8c s PRO 13 Cb -0.20 -1.64 0.44 0.00 0.04 0.00 0.00 34.50 33.14 1j8c s PRO 13 CO -0.04 -3.52 1.16 0.43 0.04 0.00 0.00 177.00 175.07 1j8c n SER 14 N -4.58 0.99 -2.69 6.66 7.64 -1.26 -4.91 113.62 115.48 1j8c n SER 14 Ca 0.15 -2.02 -0.06 0.00 1.01 0.00 0.00 58.87 57.95 1j8c n SER 14 Cb 0.60 -0.29 0.08 0.00 -1.01 0.00 0.00 64.21 63.59 1j8c n SER 14 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1j8c n ARG 15 N -0.17 0.88 0.00 1.43 1.85 -1.26 -5.04 116.66 114.35 1j8c n ARG 15 Ca 0.03 -1.47 0.00 0.00 -1.00 0.00 0.00 57.85 55.41 1j8c n ARG 15 Cb 0.94 -0.03 0.00 0.00 -1.05 0.00 0.00 32.46 32.33 1j8c n ARG 15 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1j8c n GLY 16 N -0.57 -1.82 3.78 2.89 0.00 -1.26 -5.15 105.19 103.05 1j8c n GLY 16 Ca -0.11 0.79 -0.36 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 3.81 -0.11 1.61 0.04 -1.26 -4.98 135.00 134.11 1j8c s PRO 17 Ca 0.00 1.55 0.05 0.00 0.04 0.00 0.00 61.00 62.63 1j8c s PRO 17 Cb 0.00 -2.27 -0.10 0.00 0.04 0.00 0.00 34.50 32.17 1j8c s PRO 17 CO 0.00 -0.46 -0.04 0.00 0.04 0.00 0.00 177.00 176.55 1j8c n ALA 18 N -0.67 1.75 0.00 8.56 0.00 -1.26 -4.93 120.51 123.95 1j8c n ALA 18 Ca 0.08 -0.59 -0.00 0.00 0.00 0.00 0.00 53.44 52.93 1j8c n ALA 18 Cb 0.50 0.13 -0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 -2.60 2.64 -0.02 0.00 0.00 -1.26 -5.09 120.51 114.17 1j8c n ALA 19 Ca -0.19 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1j8c n ALA 19 Cb 0.78 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.25 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 -2.60 2.56 -0.07 0.00 0.00 -1.26 -5.08 120.51 114.06 1j8c n ALA 20 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j8c n ALA 20 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1j8c n ALA 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1j8c n GLN 21 N -2.46 0.00 -1.98 0.00 6.02 -1.26 -4.94 117.38 112.75 1j8c n GLN 21 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 1j8c n GLN 21 Cb 0.00 -0.08 0.05 0.00 1.02 0.00 0.00 30.24 31.23 1j8c n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1j8c n GLY 22 N 3.20 1.41 3.39 1.08 0.00 -1.26 -4.84 105.19 108.16 1j8c n GLY 22 Ca 0.00 -2.11 -0.32 0.00 0.00 0.00 0.00 46.02 43.59 1j8c n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j8c s SER 23 N -3.22 3.73 -0.26 1.61 0.01 -1.26 -4.53 113.70 109.78 1j8c s SER 23 Ca 0.37 -0.32 -0.07 0.00 1.31 0.00 0.00 55.95 57.24 1j8c s SER 23 Cb -0.03 -1.03 0.01 0.00 0.21 0.00 0.00 66.02 65.18 1j8c s SER 23 CO 0.24 0.27 0.17 0.00 0.41 0.00 0.00 173.24 174.33 1j8c n ALA 24 N 2.80 -2.88 0.00 1.44 0.00 -1.26 -4.97 120.51 115.65 1j8c n ALA 24 Ca -0.17 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1j8c n ALA 24 Cb 0.52 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1j8c n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j8c n ALA 25 N 0.60 1.47 0.13 0.00 0.00 -1.26 -4.95 120.51 116.50 1j8c n ALA 25 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 1j8c n ALA 25 Cb 0.29 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.66 1j8c n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j8c h ALA 26 N 0.00 -0.38 -2.05 0.00 0.00 -1.97 -3.45 119.26 111.41 1j8c h ALA 26 Ca 0.00 -0.19 -0.43 0.00 0.00 0.00 0.00 54.91 54.29 1j8c h ALA 26 Cb 0.00 0.15 0.18 0.00 0.00 0.00 0.00 17.79 18.11 1j8c h ALA 26 CO 0.00 -0.49 0.27 -1.25 0.00 0.00 0.00 179.25 177.78 1j8c s PRO 27 N -4.26 -0.27 -0.48 0.00 0.04 -1.26 -5.07 135.00 123.71 1j8c s PRO 27 Ca -0.13 -0.20 0.05 0.00 0.04 0.00 0.00 61.00 60.76 1j8c s PRO 27 Cb 0.02 -1.72 0.19 0.00 0.04 0.00 0.00 34.50 33.03 1j8c s PRO 27 CO 0.51 -3.05 0.79 0.00 0.04 0.00 0.00 177.00 175.28 1j8c s ALA 28 N -3.41 -2.53 -0.46 8.56 0.00 -1.26 -5.04 121.76 117.61 1j8c s ALA 28 Ca 0.72 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.53 1j8c s ALA 28 Cb -0.07 -2.77 0.27 0.00 0.00 0.00 0.00 23.12 20.55 1j8c s ALA 28 CO 0.55 -2.29 1.00 -1.91 0.00 0.00 0.00 175.76 173.10 1j8c n GLU 29 N 2.99 0.77 -0.14 0.00 4.07 -1.26 -4.99 120.64 122.08 1j8c n GLU 29 Ca 0.16 -1.66 -0.02 0.00 -0.06 0.00 0.00 57.16 55.57 1j8c n GLU 29 Cb 0.58 -1.21 0.02 0.00 -0.06 0.00 0.00 31.44 30.77 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 1.27 1.18 -1.06 5.31 -0.04 -1.26 -4.19 135.00 136.21 1j8c n PRO 30 Ca 0.07 -0.35 -0.42 0.00 -0.04 0.00 0.00 63.50 62.76 1j8c n PRO 30 Cb 0.66 -1.18 -0.06 0.00 -0.04 0.00 0.00 33.50 32.88 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 0.29 1.41 -1.69 0.54 4.01 -1.26 -4.83 118.16 116.63 1j8c n LYS 31 Ca 0.07 -1.74 -0.44 0.00 -0.51 0.00 0.00 58.31 55.69 1j8c n LYS 31 Cb 0.61 -2.84 -0.04 0.00 -0.51 0.00 0.00 35.03 32.25 1j8c n LYS 31 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1j8c n ILE 32 N 5.94 0.12 -4.45 -0.18 2.08 -1.26 -2.35 119.36 119.26 1j8c n ILE 32 Ca 0.49 -0.02 -0.32 0.00 0.56 0.00 0.00 62.75 63.45 1j8c n ILE 32 Cb 0.38 -1.84 -0.10 0.00 -0.75 0.00 0.00 39.64 37.33 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 1.62 3.67 0.05 1.39 -4.36 -0.09 -4.86 121.20 118.62 1j8c s ILE 33 Ca 0.79 -0.76 -0.09 0.00 -0.26 0.00 0.00 60.65 60.32 1j8c s ILE 33 Cb -0.58 -2.60 -0.05 0.00 1.25 0.00 0.00 42.46 40.48 1j8c s ILE 33 CO 0.37 0.39 0.37 -0.54 0.24 0.00 0.00 174.94 175.77 1j8c s LYS 34 N -1.42 3.73 -0.15 0.37 3.01 -1.26 -2.62 119.74 121.41 1j8c s LYS 34 Ca 0.17 0.13 -0.03 0.00 -1.01 0.00 0.00 55.97 55.24 1j8c s LYS 34 Cb -0.11 -3.04 0.05 0.00 -1.01 0.00 0.00 37.83 33.72 1j8c s LYS 34 CO 0.08 0.59 0.03 0.54 0.51 0.00 0.00 175.35 177.10 1j8c s VAL 35 N -1.34 0.35 -0.64 3.17 0.11 -1.02 -2.23 120.40 118.81 1j8c s VAL 35 Ca 0.31 -0.24 -0.24 0.00 -2.93 0.00 0.00 61.98 58.87 1j8c s VAL 35 Cb -0.14 -0.77 0.05 0.00 -1.53 0.00 0.00 36.38 33.99 1j8c s VAL 35 CO 0.17 -0.06 1.04 -0.89 -3.33 0.00 0.00 175.10 172.04 1j8c s THR 36 N 1.95 4.19 -0.18 5.04 2.01 -0.64 -1.08 115.64 126.93 1j8c s THR 36 Ca 0.02 0.11 -0.15 0.00 0.31 0.00 0.00 61.69 61.97 1j8c s THR 36 Cb -0.15 -4.69 -0.04 0.00 0.01 0.00 0.00 72.50 67.62 1j8c s THR 36 CO -0.07 -1.42 0.36 -0.69 -0.69 0.00 0.00 174.62 172.11 1j8c s VAL 37 N 4.45 5.24 -0.20 3.82 1.01 -1.09 -2.61 120.40 131.03 1j8c s VAL 37 Ca 0.29 0.66 -0.04 0.00 0.00 0.00 0.00 61.98 62.90 1j8c s VAL 37 Cb -0.13 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 1j8c s VAL 37 CO 0.15 0.31 -0.05 -1.59 0.00 0.00 0.00 175.10 173.93 1j8c s LYS 38 N 0.90 3.44 0.38 2.72 -2.85 -1.22 -1.95 119.74 121.16 1j8c s LYS 38 Ca 0.19 -0.61 0.08 0.00 -1.00 0.00 0.00 55.97 54.62 1j8c s LYS 38 Cb -0.14 -2.97 -0.07 0.00 -2.06 0.00 0.00 37.83 32.59 1j8c s LYS 38 CO 0.07 -0.08 -0.02 0.95 0.10 0.00 0.00 175.35 176.36 1j8c s THR 39 N 1.18 2.05 -0.97 3.79 -4.23 -1.01 -2.58 115.64 113.86 1j8c s THR 39 Ca 0.02 -2.07 0.14 0.00 -1.18 0.00 0.00 61.69 58.61 1j8c s THR 39 Cb -0.14 -2.87 0.12 0.00 1.34 0.00 0.00 72.50 70.95 1j8c s THR 39 CO -0.01 -0.07 1.46 -0.81 -0.54 0.00 0.00 174.62 174.65 1j8c n PRO 40 N -0.90 0.01 -0.12 3.99 -0.04 -1.26 -3.09 135.00 133.59 1j8c n PRO 40 Ca -0.05 0.27 -0.21 0.00 -0.04 0.00 0.00 63.50 63.47 1j8c n PRO 40 Cb 0.66 -1.52 -0.12 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.55 0.64 -3.56 0.54 0.00 -1.26 -5.06 118.16 107.91 1j8c n LYS 41 Ca 0.03 0.19 -0.07 0.00 0.00 0.00 0.00 58.31 58.46 1j8c n LYS 41 Cb 0.17 -1.53 -0.03 0.00 0.00 0.00 0.00 35.03 33.64 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 -2.52 0.55 -0.26 1.64 0.41 -1.18 -5.14 118.70 112.20 1j8c s GLU 42 Ca -0.35 -0.13 -0.07 0.00 -0.41 0.00 0.00 54.97 54.02 1j8c s GLU 42 Cb 0.10 0.25 -0.01 0.00 -1.78 0.00 0.00 34.13 32.69 1j8c s GLU 42 CO 0.59 -0.22 0.06 0.15 -0.49 0.00 0.00 175.26 175.35 1j8c s LYS 43 N -2.35 3.45 -0.02 1.61 1.02 -1.26 -2.42 119.74 119.76 1j8c s LYS 43 Ca 0.05 -0.61 0.01 0.00 0.02 0.00 0.00 55.97 55.44 1j8c s LYS 43 Cb -0.01 -3.31 0.01 0.00 -0.52 0.00 0.00 37.83 34.00 1j8c s LYS 43 CO -0.05 -0.27 -0.05 -1.21 -0.92 0.00 0.00 175.35 172.85 1j8c s GLU 44 N 1.57 0.58 0.43 1.68 2.02 -0.82 -4.99 118.70 119.16 1j8c s GLU 44 Ca 0.05 -0.15 -0.12 0.00 0.02 0.00 0.00 54.97 54.77 1j8c s GLU 44 Cb -0.16 -0.59 -0.07 0.00 0.10 0.00 0.00 34.13 33.42 1j8c s GLU 44 CO 0.02 0.03 0.83 -2.00 0.02 0.00 0.00 175.26 174.16 1j8c s GLU 45 N 0.32 3.84 -0.07 1.61 2.12 -1.26 -2.65 118.70 122.60 1j8c s GLU 45 Ca -0.04 0.61 0.02 0.00 0.36 0.00 0.00 54.97 55.93 1j8c s GLU 45 Cb -0.08 -2.33 0.01 0.00 0.26 0.00 0.00 34.13 32.00 1j8c s GLU 45 CO -0.00 -0.09 -0.13 -0.06 -0.54 0.00 0.00 175.26 174.45 1j8c s PHE 46 N -2.41 1.56 -0.11 5.30 0.08 -0.24 -4.93 117.98 117.21 1j8c s PHE 46 Ca 0.53 -0.61 -0.19 0.00 0.12 0.00 0.00 56.93 56.79 1j8c s PHE 46 Cb -0.10 -1.14 -0.04 0.00 -0.57 0.00 0.00 43.02 41.16 1j8c s PHE 46 CO 0.30 -0.32 0.50 0.00 -0.10 0.00 0.00 175.22 175.60 1j8c s ALA 47 N 0.77 3.46 0.03 5.36 0.00 -1.26 -2.43 121.76 127.69 1j8c s ALA 47 Ca -0.12 -0.16 -0.05 0.00 0.00 0.00 0.00 51.96 51.63 1j8c s ALA 47 Cb -0.16 -2.68 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 1j8c s ALA 47 CO 0.02 -0.01 0.08 0.14 0.00 0.00 0.00 175.76 175.99 1j8c s VAL 48 N 0.65 0.13 -0.12 0.00 -7.23 -1.08 -4.98 120.40 107.77 1j8c s VAL 48 Ca 0.27 -1.04 -0.29 0.00 -1.81 0.00 0.00 61.98 59.11 1j8c s VAL 48 Cb -0.15 -0.77 -0.03 0.00 0.56 0.00 0.00 36.38 35.98 1j8c s VAL 48 CO 0.11 -0.57 1.44 -2.16 -0.31 0.00 0.00 175.10 173.61 1j8c s PRO 49 N -2.33 4.20 0.34 4.82 0.04 -1.26 -0.91 135.00 139.89 1j8c s PRO 49 Ca -0.07 1.88 0.24 0.00 0.04 0.00 0.00 61.00 63.09 1j8c s PRO 49 Cb -0.03 -3.87 1.18 0.00 0.04 0.00 0.00 34.50 31.83 1j8c s PRO 49 CO -0.03 -0.79 1.28 -1.91 0.04 0.00 0.00 177.00 175.59 1j8c n GLU 50 N 6.87 -0.04 -1.14 4.56 2.13 -0.99 -0.45 120.64 131.58 1j8c n GLU 50 Ca 0.15 1.05 -0.16 0.00 0.66 0.00 0.00 57.16 58.87 1j8c n GLU 50 Cb 0.44 -2.02 -0.14 0.00 0.27 0.00 0.00 31.44 29.99 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 -4.48 5.61 -4.17 4.31 5.15 -1.26 -4.20 115.26 116.21 1j8c n ASN 51 Ca 0.32 -2.68 -0.24 0.00 -0.60 0.00 0.00 54.58 51.38 1j8c n ASN 51 Cb 1.21 -1.37 -0.15 0.00 -0.53 0.00 0.00 39.78 38.94 1j8c n ASN 51 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1j8c s SER 52 N 1.55 2.07 0.32 1.20 0.15 0.40 -5.12 113.70 114.27 1j8c s SER 52 Ca 0.65 -0.36 -0.03 0.00 0.70 0.00 0.00 55.95 56.91 1j8c s SER 52 Cb 0.34 -0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.39 1j8c s SER 52 CO -0.06 0.19 0.56 -0.44 1.20 0.00 0.00 173.24 174.69 1j8c s SER 53 N -0.59 6.38 0.40 5.45 0.01 -1.26 -3.53 113.70 120.56 1j8c s SER 53 Ca 0.06 0.62 0.06 0.00 1.31 0.00 0.00 55.95 58.01 1j8c s SER 53 Cb -0.07 -2.11 0.82 0.00 0.21 0.00 0.00 66.02 64.87 1j8c s SER 53 CO -0.00 -0.25 2.04 0.58 0.41 0.00 0.00 173.24 176.02 1j8c h VAL 54 N 1.08 1.10 -0.84 3.43 2.07 -1.80 -2.53 116.25 118.77 1j8c h VAL 54 Ca -0.48 -0.21 0.19 0.00 0.82 0.00 0.00 66.70 67.01 1j8c h VAL 54 Cb 1.20 0.43 -0.12 0.00 -1.52 0.00 0.00 31.29 31.28 1j8c h VAL 54 CO 0.64 0.11 0.33 -0.61 0.02 0.00 0.00 177.57 178.06 1j8c h GLN 55 N 0.62 0.38 0.27 1.57 4.15 -1.91 1.06 115.11 121.25 1j8c h GLN 55 Ca 0.18 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 1j8c h GLN 55 Cb -0.03 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.58 1j8c h GLN 55 CO -0.04 0.25 -0.13 0.37 -1.93 0.00 0.00 178.83 177.35 1j8c h GLN 56 N 0.39 -0.34 -0.71 1.69 5.75 -1.86 -2.91 115.11 117.12 1j8c h GLN 56 Ca 0.50 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 59.03 1j8c h GLN 56 Cb 0.89 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.48 1j8c h GLN 56 CO -0.50 0.01 0.47 0.35 -2.65 0.00 0.00 178.83 176.50 1j8c h PHE 57 N -0.79 0.88 -0.94 3.99 3.57 -1.34 -1.59 116.94 120.72 1j8c h PHE 57 Ca -0.04 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.55 1j8c h PHE 57 Cb 0.51 -0.30 -0.06 0.00 2.79 0.00 0.00 35.95 38.89 1j8c h PHE 57 CO 0.04 0.55 0.61 0.87 -2.23 0.00 0.00 178.31 178.15 1j8c h LYS 58 N 0.95 1.04 0.00 1.11 1.79 0.12 0.19 116.57 121.77 1j8c h LYS 58 Ca 0.26 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 1j8c h LYS 58 Cb -0.09 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.32 1j8c h LYS 58 CO -0.06 0.69 -0.12 1.49 -1.08 0.00 0.00 179.45 180.37 1j8c h GLU 59 N 1.07 0.00 -0.02 3.15 4.81 -1.14 -3.31 114.58 119.14 1j8c h GLU 59 Ca 0.41 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1j8c h GLU 59 Cb 0.20 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 1j8c h GLU 59 CO -0.16 0.00 0.01 0.00 -0.73 0.00 0.00 179.01 178.13 1j8c h ALA 60 N 2.12 0.03 -0.60 2.92 0.00 -0.04 -2.79 119.26 120.90 1j8c h ALA 60 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1j8c h ALA 60 Cb 0.94 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1j8c h ALA 60 CO 0.00 -0.36 0.35 0.82 0.00 0.00 0.00 179.25 180.05 1j8c h ILE 61 N -0.16 1.18 -0.19 0.00 2.04 -1.60 -2.33 117.51 116.45 1j8c h ILE 61 Ca 0.01 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.50 1j8c h ILE 61 Cb 0.21 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 1j8c h ILE 61 CO -0.00 0.19 -0.15 -1.28 0.00 0.00 0.00 178.15 176.91 1j8c h SER 62 N 0.83 -0.49 0.25 1.72 0.87 -1.58 1.02 113.55 116.17 1j8c h SER 62 Ca 0.22 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.86 1j8c h SER 62 Cb -0.00 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1j8c h SER 62 CO -0.04 -0.20 -0.12 0.11 -0.53 0.00 0.00 176.83 176.06 1j8c h LYS 63 N -0.16 -0.33 0.16 2.24 1.57 -1.35 0.13 116.57 118.83 1j8c h LYS 63 Ca 0.11 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1j8c h LYS 63 Cb 0.33 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1j8c h LYS 63 CO -0.28 0.02 -0.08 0.00 -0.57 0.00 0.00 179.45 178.54 1j8c h ARG 64 N -0.76 -0.21 -0.30 3.15 2.47 -1.35 -3.30 114.38 114.08 1j8c h ARG 64 Ca -0.03 0.01 -0.12 0.00 -1.26 0.00 0.00 59.98 58.58 1j8c h ARG 64 Cb 0.50 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 1j8c h ARG 64 CO 0.06 0.22 -0.30 0.35 0.56 0.00 0.00 179.97 180.85 1j8c h PHE 65 N -0.82 0.72 -4.27 3.04 3.04 0.90 -3.49 116.94 116.06 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 0.53 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.87 1j8c h PHE 65 CO 0.08 0.85 -0.33 1.63 -2.02 0.00 0.00 178.31 178.52 1j8c n LYS 66 N -4.08 -1.47 0.00 1.11 5.02 0.44 -4.99 118.16 114.19 1j8c n LYS 66 Ca -0.01 1.49 0.00 0.00 -2.02 0.00 0.00 58.31 57.77 1j8c n LYS 66 Cb 0.46 -3.79 0.00 0.00 -0.02 0.00 0.00 35.03 31.67 1j8c n LYS 66 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1j8c n SER 67 N -0.24 0.00 -0.56 4.39 7.64 -1.23 -5.05 113.62 118.57 1j8c n SER 67 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1j8c n SER 67 Cb 0.21 0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1j8c n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j8c n GLN 68 N -1.97 0.00 0.03 1.43 10.64 -1.26 -5.07 117.38 121.18 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 2.41 -1.83 0.00 0.00 177.06 177.64 1j8c n THR 69 N 0.00 0.00 0.00 -0.39 -1.04 -1.26 -3.96 114.28 107.63 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 0.00 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.34 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 -2.62 0.00 0.26 8.00 9.92 -1.26 -2.59 116.55 128.26 1j8c n ASP 70 Ca 0.00 0.73 0.16 0.00 -0.53 0.00 0.00 54.79 55.15 1j8c n ASP 70 Cb 0.00 -0.23 0.87 0.00 -0.64 0.00 0.00 41.12 41.12 1j8c n ASP 70 CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 1j8c h GLN 71 N 0.00 0.00 -5.69 -1.24 5.75 -1.98 -3.41 115.11 108.55 1j8c h GLN 71 Ca 0.00 0.00 -0.54 0.00 -0.15 0.00 0.00 58.65 57.96 1j8c h GLN 71 Cb 0.00 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1j8c h GLN 71 CO 0.00 0.00 1.58 -0.11 -2.65 0.00 0.00 178.83 177.65 1j8c n LEU 72 N -3.85 2.22 -4.29 -2.39 0.00 -1.07 -2.24 117.00 105.37 1j8c n LEU 72 Ca -0.01 -0.08 -0.19 0.00 0.00 0.00 0.00 56.01 55.72 1j8c n LEU 72 Cb 0.18 -1.43 -0.11 0.00 0.00 0.00 0.00 43.42 42.06 1j8c n LEU 72 CO 0.28 -1.11 -0.46 -0.69 0.00 0.00 0.00 177.39 175.41 1j8c s VAL 73 N 9.99 1.55 -0.01 1.96 1.01 -1.04 -4.87 120.40 128.99 1j8c s VAL 73 Ca 1.06 -1.89 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1j8c s VAL 73 Cb -0.49 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1j8c s VAL 73 CO 0.36 -0.44 -0.24 -0.76 0.00 0.00 0.00 175.10 174.03 1j8c s LEU 74 N -2.72 2.23 -0.71 3.92 1.43 -1.10 -1.48 118.68 120.25 1j8c s LEU 74 Ca 0.14 -0.44 -0.14 0.00 -1.03 0.00 0.00 54.13 52.66 1j8c s LEU 74 Cb -0.04 -1.38 0.18 0.00 0.03 0.00 0.00 46.19 44.98 1j8c s LEU 74 CO 0.05 0.31 0.64 -0.63 0.23 0.00 0.00 176.35 176.95 1j8c s ILE 75 N -0.69 5.30 -0.82 -0.59 -1.09 0.11 0.11 121.20 123.52 1j8c s ILE 75 Ca 0.11 -2.17 -0.23 0.00 -2.23 0.00 0.00 60.65 56.13 1j8c s ILE 75 Cb -0.10 -4.33 0.07 0.00 -1.58 0.00 0.00 42.46 36.52 1j8c s ILE 75 CO 0.00 -0.96 1.18 0.12 -1.23 0.00 0.00 174.94 174.05 1j8c s PHE 76 N 0.65 2.66 -1.40 3.97 5.36 -0.87 -2.47 117.98 125.88 1j8c s PHE 76 Ca 0.13 -0.71 -0.05 0.00 -0.96 0.00 0.00 56.93 55.34 1j8c s PHE 76 Cb -0.18 -4.45 0.03 0.00 -0.34 0.00 0.00 43.02 38.08 1j8c s PHE 76 CO -0.04 -1.77 0.78 0.00 -1.46 0.00 0.00 175.22 172.72 1j8c n ALA 77 N 8.06 -1.74 0.00 11.12 0.00 -1.26 -1.40 120.51 135.28 1j8c n ALA 77 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1j8c n ALA 77 Cb 0.48 -2.84 0.00 0.00 0.00 0.00 0.00 19.45 17.09 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 -1.65 2.49 3.21 0.00 0.00 -1.26 -5.01 105.19 102.97 1j8c n GLY 78 Ca -0.17 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 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 -4.63 -3.84 1.61 5.02 -0.50 -4.97 118.16 110.86 1j8c n LYS 79 Ca 0.00 -1.37 -0.34 0.00 -2.02 0.00 0.00 58.31 54.58 1j8c n LYS 79 Cb 0.00 -1.89 -0.12 0.00 -0.02 0.00 0.00 35.03 33.00 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 -2.12 3.10 -1.07 -0.18 -5.25 -1.26 -2.05 121.20 112.37 1j8c s ILE 80 Ca 0.65 -2.80 -0.25 0.00 -0.99 0.00 0.00 60.65 57.26 1j8c s ILE 80 Cb -0.12 -3.11 -0.14 0.00 2.95 0.00 0.00 42.46 42.04 1j8c s ILE 80 CO 0.55 -0.78 2.05 -0.22 -1.79 0.00 0.00 174.94 174.75 1j8c s LEU 81 N 0.25 2.78 0.00 0.37 0.20 0.30 -4.70 118.68 117.87 1j8c s LEU 81 Ca 0.14 -1.11 0.00 0.00 0.69 0.00 0.00 54.13 53.85 1j8c s LEU 81 Cb -0.22 -2.59 0.00 0.00 -0.43 0.00 0.00 46.19 42.95 1j8c s LEU 81 CO -0.03 -3.78 0.00 1.17 -0.29 0.00 0.00 176.35 173.42 1j8c n LYS 82 N 8.36 0.00 0.13 1.98 4.81 -1.26 -2.72 118.16 129.45 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 0.46 0.00 0.47 0.00 0.02 0.00 0.00 35.03 35.98 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 -0.39 0.76 -0.16 3.14 5.68 -1.26 -3.06 116.55 121.25 1j8c n ASP 83 Ca 0.00 0.64 0.21 0.00 -0.50 0.00 0.00 54.79 55.14 1j8c n ASP 83 Cb 0.00 -0.82 0.59 0.00 -1.14 0.00 0.00 41.12 39.75 1j8c n ASP 83 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1j8c h GLN 84 N 0.00 0.23 -4.61 0.11 1.08 -1.95 -3.43 115.11 106.54 1j8c h GLN 84 Ca 0.00 -0.01 -0.25 0.00 -1.45 0.00 0.00 58.65 56.94 1j8c h GLN 84 Cb 0.50 -0.05 -0.15 0.00 -0.05 0.00 0.00 27.48 27.73 1j8c h GLN 84 CO 0.00 0.15 -0.63 0.16 -0.95 0.00 0.00 178.83 177.57 1j8c s ASP 85 N -5.82 0.36 0.37 1.46 1.47 -1.17 -5.14 116.67 108.20 1j8c s ASP 85 Ca -0.07 -1.35 -0.24 0.00 1.18 0.00 0.00 52.55 52.07 1j8c s ASP 85 Cb 0.21 0.33 -0.10 0.00 -0.34 0.00 0.00 42.92 43.02 1j8c s ASP 85 CO 0.77 -0.80 0.98 -0.89 0.68 0.00 0.00 175.17 175.92 1j8c s THR 86 N -4.07 4.06 0.17 2.11 2.01 -1.26 -4.33 115.64 114.34 1j8c s THR 86 Ca 0.36 1.58 -0.14 0.00 0.31 0.00 0.00 61.69 63.79 1j8c s THR 86 Cb 0.07 -3.81 0.07 0.00 0.01 0.00 0.00 72.50 68.84 1j8c s THR 86 CO 0.10 0.01 1.75 0.25 -0.69 0.00 0.00 174.62 176.04 1j8c h LEU 87 N 2.69 0.16 -0.84 4.42 5.85 -1.86 -0.52 115.31 125.22 1j8c h LEU 87 Ca -0.48 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.19 1j8c h LEU 87 Cb 1.20 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1j8c h LEU 87 CO 0.63 0.12 -0.50 -0.29 -0.34 0.00 0.00 178.44 178.07 1j8c h ILE 88 N 0.32 1.16 0.00 4.05 -0.00 -1.73 0.89 117.51 122.20 1j8c h ILE 88 Ca 0.21 -1.83 0.00 0.00 -0.00 0.00 0.00 64.86 63.24 1j8c h ILE 88 Cb 0.21 2.04 0.00 0.00 -0.00 0.00 0.00 36.82 39.07 1j8c h ILE 88 CO -0.22 0.49 0.00 1.67 -0.00 0.00 0.00 178.15 180.09 1j8c n GLN 89 N -3.66 0.32 0.00 2.19 -0.06 -0.28 -4.69 117.38 111.19 1j8c n GLN 89 Ca -0.01 0.05 0.00 0.00 -2.00 0.00 0.00 57.00 55.04 1j8c n GLN 89 Cb 0.56 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.24 1j8c n GLN 89 CO 0.00 0.00 0.00 1.58 -0.20 0.00 0.00 177.06 178.44 1j8c n HIS 90 N -1.31 0.00 -0.05 3.69 -0.00 -0.71 -4.82 115.22 112.02 1j8c n HIS 90 Ca 0.11 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.20 1j8c n HIS 90 Cb 0.21 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.06 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 0.28 -3.78 1.57 0.00 -0.84 -3.45 103.07 96.84 1j8c h GLY 91 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.13 1j8c h GLY 91 CO 0.00 0.06 -0.58 -0.42 0.00 0.00 0.00 176.54 175.60 1j8c s ILE 92 N -6.18 0.16 -0.05 2.60 -1.09 0.29 -4.92 121.20 112.01 1j8c s ILE 92 Ca -0.13 -1.32 -0.00 0.00 -2.23 0.00 0.00 60.65 56.97 1j8c s ILE 92 Cb 0.09 -1.07 -0.03 0.00 -1.58 0.00 0.00 42.46 39.86 1j8c s ILE 92 CO 0.69 -0.73 -0.05 1.41 -1.23 0.00 0.00 174.94 175.03 1j8c n HIS 93 N 0.56 0.00 -1.97 3.97 8.25 -1.26 -4.25 115.22 120.52 1j8c n HIS 93 Ca -0.17 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.28 1j8c n HIS 93 Cb 0.59 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.50 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 -2.75 -0.13 0.00 0.41 2.03 -1.26 -4.90 116.55 109.95 1j8c n ASP 94 Ca -0.10 -0.61 0.00 0.00 0.52 0.00 0.00 54.79 54.61 1j8c n ASP 94 Cb 0.60 0.05 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 -0.07 0.51 3.74 0.27 0.00 -1.01 -4.33 105.19 104.29 1j8c n GLY 95 Ca -0.03 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 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 2.64 0.08 0.99 2.01 -0.95 -4.94 118.68 118.50 1j8c s LEU 96 Ca 0.00 -1.43 0.08 0.00 0.01 0.00 0.00 54.13 52.79 1j8c s LEU 96 Cb 0.00 -0.96 -0.04 0.00 0.01 0.00 0.00 46.19 45.21 1j8c s LEU 96 CO 0.00 -0.73 -0.19 -0.89 1.01 0.00 0.00 176.35 175.55 1j8c s THR 97 N -2.77 2.77 -0.01 5.49 2.01 -1.26 -1.63 115.64 120.23 1j8c s THR 97 Ca 0.23 -1.35 -0.15 0.00 0.31 0.00 0.00 61.69 60.73 1j8c s THR 97 Cb 0.04 -2.21 0.02 0.00 0.01 0.00 0.00 72.50 70.36 1j8c s THR 97 CO 0.13 0.23 0.32 0.54 -0.69 0.00 0.00 174.62 175.15 1j8c s VAL 98 N -1.02 0.06 -0.06 3.82 0.11 -1.07 -4.61 120.40 117.62 1j8c s VAL 98 Ca 0.16 -0.47 -0.19 0.00 -2.93 0.00 0.00 61.98 58.55 1j8c s VAL 98 Cb -0.10 -0.65 -0.05 0.00 -1.53 0.00 0.00 36.38 34.05 1j8c s VAL 98 CO 0.07 -0.26 0.52 -1.00 -3.33 0.00 0.00 175.10 171.11 1j8c s HIS 99 N -1.40 3.60 -0.15 1.54 3.76 -1.03 -3.44 115.29 118.17 1j8c s HIS 99 Ca -0.13 1.03 -0.15 0.00 -0.15 0.00 0.00 55.06 55.66 1j8c s HIS 99 Cb -0.05 -2.56 -0.05 0.00 1.11 0.00 0.00 32.58 31.04 1j8c s HIS 99 CO 0.04 0.28 0.33 -1.17 -0.85 0.00 0.00 174.74 173.37 1j8c s LEU 100 N 0.16 4.25 -0.21 0.89 2.96 -1.07 0.06 118.68 125.73 1j8c s LEU 100 Ca 0.28 0.56 -0.28 0.00 -0.22 0.00 0.00 54.13 54.48 1j8c s LEU 100 Cb -0.16 -2.43 0.11 0.00 0.50 0.00 0.00 46.19 44.20 1j8c s LEU 100 CO 0.13 0.08 0.93 0.54 -1.32 0.00 0.00 176.35 176.72 1j8c s VAL 101 N 0.48 0.00 0.18 1.68 0.11 -0.55 -4.80 120.40 117.50 1j8c s VAL 101 Ca 0.18 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.93 1j8c s VAL 101 Cb -0.13 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.64 1j8c s VAL 101 CO 0.05 0.00 1.00 0.27 -3.33 0.00 0.00 175.10 173.09 1j8c s ILE 102 N -0.39 4.13 -1.24 7.04 -0.00 -1.26 -2.51 121.20 126.97 1j8c s ILE 102 Ca -0.01 1.91 0.10 0.00 -0.00 0.00 0.00 60.65 62.66 1j8c s ILE 102 Cb -0.03 -4.22 0.08 0.00 -0.00 0.00 0.00 42.46 38.29 1j8c s ILE 102 CO -0.01 0.37 0.81 1.17 -0.00 0.00 0.00 174.94 177.28