#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 2.00 0.00 -5.12 0.00 -1.26 -5.00 121.76 112.38 1j8c s ALA 2 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1j8c s ALA 2 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1j8c s ALA 2 CO 0.00 -1.95 0.00 0.39 0.00 0.00 0.00 175.76 174.20 1j8c n GLU 3 N -3.62 0.00 -1.95 0.00 1.02 -1.26 -4.95 120.64 109.88 1j8c n GLU 3 Ca 0.08 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.90 1j8c n GLU 3 Cb 0.55 -0.69 -0.04 0.00 -0.02 0.00 0.00 31.44 31.23 1j8c n GLU 3 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1j8c s ASN 4 N -4.04 5.00 -0.03 1.62 2.47 -1.26 -4.86 114.94 113.84 1j8c s ASN 4 Ca 0.00 0.01 -0.29 0.00 0.42 0.00 0.00 52.86 53.01 1j8c s ASN 4 Cb 0.00 -2.54 0.10 0.00 -1.45 0.00 0.00 41.25 37.36 1j8c s ASN 4 CO 0.00 -2.71 0.86 -0.83 -3.72 0.00 0.00 177.10 170.70 1j8c s GLY 5 N 8.77 -0.45 0.21 1.21 0.00 -1.26 -5.18 107.32 110.63 1j8c s GLY 5 Ca 0.74 1.23 -0.00 0.00 0.00 0.00 0.00 44.72 46.69 1j8c s GLY 5 CO 0.12 0.55 0.29 1.18 0.00 0.00 0.00 173.10 175.24 1j8c n GLU 6 N 0.10 0.39 0.00 2.90 1.02 -1.26 -5.06 120.64 118.72 1j8c n GLU 6 Ca -0.11 -0.78 0.00 0.00 -0.02 0.00 0.00 57.16 56.25 1j8c n GLU 6 Cb 0.61 -0.20 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 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 -2.98 2.02 -4.75 1.62 2.88 -1.26 -5.06 113.62 106.08 1j8c n SER 7 Ca 0.05 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.19 1j8c n SER 7 Cb 0.17 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.65 1j8c n SER 7 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1j8c n SER 8 N -2.14 3.22 -0.15 -3.46 3.41 -1.26 -4.58 113.62 108.66 1j8c n SER 8 Ca 0.00 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.73 1j8c n SER 8 Cb 0.28 -1.59 0.00 0.00 -0.26 0.00 0.00 64.21 62.64 1j8c n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j8c n GLY 9 N 0.61 -0.33 3.74 5.00 0.00 -1.26 -5.04 105.19 107.91 1j8c n GLY 9 Ca 0.05 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.15 4.49 0.00 1.61 0.04 -1.26 -5.04 135.00 134.68 1j8c s PRO 10 Ca 0.00 1.89 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1j8c s PRO 10 Cb 0.00 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1j8c s PRO 10 CO 0.00 -0.09 0.00 -0.35 0.04 0.00 0.00 177.00 176.60 1j8c n PRO 11 N 2.48 0.70 0.03 0.56 -0.04 -1.26 -4.92 135.00 132.56 1j8c n PRO 11 Ca 0.04 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.39 1j8c n PRO 11 Cb 0.45 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.86 1j8c n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j8c h ARG 12 N 0.00 -0.43 -7.53 0.54 3.08 -2.05 -3.42 114.38 104.57 1j8c h ARG 12 Ca 0.00 0.03 -0.44 0.00 0.07 0.00 0.00 59.98 59.64 1j8c h ARG 12 Cb 0.00 0.10 0.17 0.00 0.08 0.00 0.00 29.97 30.32 1j8c h ARG 12 CO 0.00 -0.29 0.25 -1.25 -1.07 0.00 0.00 179.97 177.61 1j8c s PRO 13 N -5.99 -0.09 0.06 0.04 0.04 -1.26 -5.09 135.00 122.70 1j8c s PRO 13 Ca -0.15 -0.04 -0.07 0.00 0.04 0.00 0.00 61.00 60.77 1j8c s PRO 13 Cb 0.10 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.90 1j8c s PRO 13 CO 0.65 -2.97 0.15 -1.12 0.04 0.00 0.00 177.00 173.76 1j8c s SER 14 N -4.16 0.14 0.59 6.66 0.01 -1.26 -4.96 113.70 110.72 1j8c s SER 14 Ca 0.70 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1j8c s SER 14 Cb -0.10 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.41 1j8c s SER 14 CO 0.55 -0.60 0.00 0.54 0.41 0.00 0.00 173.24 174.13 1j8c n ARG 15 N 0.42 -0.02 -2.62 12.44 1.74 -1.26 -4.53 116.66 122.83 1j8c n ARG 15 Ca -0.17 0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.51 1j8c n ARG 15 Cb 0.60 -0.03 -0.04 0.00 -1.02 0.00 0.00 32.46 31.98 1j8c n ARG 15 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1j8c s GLY 16 N -3.60 2.82 -1.11 -0.13 0.00 -1.26 -4.91 107.32 99.13 1j8c s GLY 16 Ca 0.00 0.67 -0.10 0.00 0.00 0.00 0.00 44.72 45.29 1j8c s GLY 16 CO 0.00 1.69 2.28 -1.55 0.00 0.00 0.00 173.10 175.52 1j8c n PRO 17 N 3.28 2.43 -3.37 2.90 -0.04 -1.26 -4.69 135.00 134.25 1j8c n PRO 17 Ca 0.05 -1.81 0.02 0.00 -0.04 0.00 0.00 63.50 61.72 1j8c n PRO 17 Cb 0.49 -2.70 -0.03 0.00 -0.04 0.00 0.00 33.50 31.22 1j8c n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j8c s ALA 18 N 3.39 -2.73 -0.13 0.55 0.00 -1.26 -5.03 121.76 116.54 1j8c s ALA 18 Ca 0.50 1.97 0.17 0.00 0.00 0.00 0.00 51.96 54.60 1j8c s ALA 18 Cb 0.13 -2.10 0.29 0.00 0.00 0.00 0.00 23.12 21.44 1j8c s ALA 18 CO -0.02 -1.05 1.15 0.00 0.00 0.00 0.00 175.76 175.84 1j8c n ALA 19 N 5.12 2.45 -2.76 0.00 0.00 -1.26 -4.88 120.51 119.17 1j8c n ALA 19 Ca -0.08 -2.64 -0.02 0.00 0.00 0.00 0.00 53.44 50.70 1j8c n ALA 19 Cb 0.52 -0.39 0.02 0.00 0.00 0.00 0.00 19.45 19.61 1j8c n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j8c s ALA 20 N -2.75 -3.83 0.00 0.00 0.00 -1.26 -5.08 121.76 108.83 1j8c s ALA 20 Ca 0.31 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1j8c s ALA 20 Cb 0.28 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.48 1j8c s ALA 20 CO 0.01 -2.44 0.00 1.04 0.00 0.00 0.00 175.76 174.37 1j8c n GLN 21 N 3.09 0.00 0.00 0.00 6.02 -1.26 -5.13 117.38 120.09 1j8c n GLN 21 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1j8c n GLN 21 Cb 0.62 -0.04 0.00 0.00 1.02 0.00 0.00 30.24 31.84 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 3.43 0.57 2.74 1.08 0.00 -1.26 -4.90 105.19 106.85 1j8c n GLY 22 Ca 0.00 -1.57 -0.19 0.00 0.00 0.00 0.00 46.02 44.27 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 -4.00 1.66 0.66 1.61 0.15 -1.26 -5.12 113.70 107.40 1j8c s SER 23 Ca 0.00 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.14 1j8c s SER 23 Cb 0.00 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1j8c s SER 23 CO 0.00 -0.36 0.00 0.00 1.20 0.00 0.00 173.24 174.08 1j8c n ALA 24 N 5.31 0.00 -0.05 5.45 0.00 -1.26 -4.16 120.51 125.80 1j8c n ALA 24 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.35 1j8c n ALA 24 Cb 0.48 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.78 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 1.62 1.79 -2.53 0.00 0.00 -1.26 -5.01 120.51 115.11 1j8c n ALA 25 Ca 0.00 -0.96 -0.14 0.00 0.00 0.00 0.00 53.44 52.33 1j8c n ALA 25 Cb 0.00 -0.53 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 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 -2.75 1.04 1.17 0.00 0.00 -1.26 -5.16 121.76 114.80 1j8c s ALA 26 Ca -0.07 -1.63 -0.20 0.00 0.00 0.00 0.00 51.96 50.06 1j8c s ALA 26 Cb 0.08 1.31 0.28 0.00 0.00 0.00 0.00 23.12 24.79 1j8c s ALA 26 CO 0.84 -0.70 1.18 -1.25 0.00 0.00 0.00 175.76 175.83 1j8c s PRO 27 N -3.70 -1.01 -0.50 0.00 0.04 -1.26 -5.00 135.00 123.57 1j8c s PRO 27 Ca 0.35 -0.29 0.06 0.00 0.04 0.00 0.00 61.00 61.16 1j8c s PRO 27 Cb 0.03 -1.64 0.21 0.00 0.04 0.00 0.00 34.50 33.14 1j8c s PRO 27 CO 0.18 -3.53 0.81 0.00 0.04 0.00 0.00 177.00 174.49 1j8c n ALA 28 N -4.59 -1.83 -2.68 8.56 0.00 -1.26 -5.07 120.51 113.63 1j8c n ALA 28 Ca 0.15 -1.10 -0.19 0.00 0.00 0.00 0.00 53.44 52.30 1j8c n ALA 28 Cb 0.60 -1.55 -0.12 0.00 0.00 0.00 0.00 19.45 18.38 1j8c n ALA 28 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1j8c s GLU 29 N 0.79 0.86 0.00 0.00 0.41 -1.26 -5.11 118.70 114.39 1j8c s GLU 29 Ca 0.30 -0.88 0.00 0.00 -0.41 0.00 0.00 54.97 53.98 1j8c s GLU 29 Cb 0.09 -0.86 0.00 0.00 -1.78 0.00 0.00 34.13 31.58 1j8c s GLU 29 CO -0.13 0.20 0.00 -0.35 -0.49 0.00 0.00 175.26 174.49 1j8c n PRO 30 N 1.51 0.00 -4.26 0.39 -0.04 -1.26 -4.26 135.00 127.07 1j8c n PRO 30 Ca -0.20 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.90 1j8c n PRO 30 Cb 0.54 -0.13 -0.04 0.00 -0.04 0.00 0.00 33.50 33.83 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 -2.49 -1.55 0.54 4.76 -1.26 -1.94 118.16 116.22 1j8c n LYS 31 Ca 0.00 0.30 -0.37 0.00 -2.87 0.00 0.00 58.31 55.37 1j8c n LYS 31 Cb 0.00 -4.81 -0.04 0.00 -1.84 0.00 0.00 35.03 28.34 1j8c n LYS 31 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1j8c n ILE 32 N -4.34 -0.05 -2.03 -0.18 -0.00 -1.26 -2.78 119.36 108.71 1j8c n ILE 32 Ca -0.00 -0.72 -0.30 0.00 -0.00 0.00 0.00 62.75 61.73 1j8c n ILE 32 Cb 0.53 -2.60 0.02 0.00 -0.00 0.00 0.00 39.64 37.58 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 11.71 4.48 -0.03 1.39 -4.36 -0.52 -4.69 121.20 129.17 1j8c s ILE 33 Ca 1.01 0.64 -0.02 0.00 -0.26 0.00 0.00 60.65 62.03 1j8c s ILE 33 Cb -0.28 -3.78 -0.04 0.00 1.25 0.00 0.00 42.46 39.61 1j8c s ILE 33 CO 0.29 -0.97 0.12 -0.54 0.24 0.00 0.00 174.94 174.07 1j8c s LYS 34 N -5.12 3.23 -0.13 0.37 3.01 -1.26 -2.62 119.74 117.22 1j8c s LYS 34 Ca 0.54 -0.37 -0.03 0.00 -1.01 0.00 0.00 55.97 55.10 1j8c s LYS 34 Cb -0.11 -2.98 0.05 0.00 -1.01 0.00 0.00 37.83 33.78 1j8c s LYS 34 CO 0.52 0.68 0.05 0.54 0.51 0.00 0.00 175.35 177.65 1j8c s VAL 35 N -1.18 0.17 -0.47 3.17 0.11 -1.08 -1.07 120.40 120.05 1j8c s VAL 35 Ca 0.22 -0.09 -0.28 0.00 -2.93 0.00 0.00 61.98 58.90 1j8c s VAL 35 Cb -0.12 -0.60 0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1j8c s VAL 35 CO 0.13 -0.06 1.10 -0.89 -3.33 0.00 0.00 175.10 172.05 1j8c s THR 36 N 2.03 4.26 -0.18 5.04 2.01 0.30 -0.99 115.64 128.12 1j8c s THR 36 Ca 0.02 1.16 -0.15 0.00 0.31 0.00 0.00 61.69 63.03 1j8c s THR 36 Cb -0.15 -4.57 -0.04 0.00 0.01 0.00 0.00 72.50 67.75 1j8c s THR 36 CO -0.07 -0.96 0.36 -0.69 -0.69 0.00 0.00 174.62 172.56 1j8c s VAL 37 N 4.31 5.25 -0.22 3.82 1.01 -1.08 -2.53 120.40 130.96 1j8c s VAL 37 Ca 0.46 0.65 -0.05 0.00 0.00 0.00 0.00 61.98 63.04 1j8c s VAL 37 Cb -0.08 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1j8c s VAL 37 CO 0.30 0.32 0.00 -0.75 0.00 0.00 0.00 175.10 174.98 1j8c s LYS 38 N 0.88 3.57 0.29 2.72 2.20 -1.13 -2.62 119.74 125.66 1j8c s LYS 38 Ca 0.18 -0.54 0.05 0.00 -0.36 0.00 0.00 55.97 55.31 1j8c s LYS 38 Cb -0.14 -3.11 -0.06 0.00 -1.51 0.00 0.00 37.83 33.01 1j8c s LYS 38 CO 0.06 -0.08 -0.01 0.95 -0.36 0.00 0.00 175.35 175.91 1j8c s THR 39 N 1.25 1.44 -0.74 3.43 -4.23 -0.47 -1.76 115.64 114.56 1j8c s THR 39 Ca 0.04 -2.07 0.18 0.00 -1.18 0.00 0.00 61.69 58.66 1j8c s THR 39 Cb -0.15 -2.58 0.17 0.00 1.34 0.00 0.00 72.50 71.29 1j8c s THR 39 CO 0.01 -0.19 1.56 -0.81 -0.54 0.00 0.00 174.62 174.65 1j8c n PRO 40 N -0.62 0.09 -0.05 3.99 -0.04 -1.26 -2.89 135.00 134.23 1j8c n PRO 40 Ca -0.04 0.36 -0.21 0.00 -0.04 0.00 0.00 63.50 63.57 1j8c n PRO 40 Cb 0.65 -1.68 -0.13 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.86 0.71 -2.35 0.54 3.00 -1.26 -5.07 118.16 111.87 1j8c n LYS 41 Ca 0.02 0.24 -0.00 0.00 -0.00 0.00 0.00 58.31 58.58 1j8c n LYS 41 Cb 0.18 -1.65 0.01 0.00 0.00 0.00 0.00 35.03 33.57 1j8c n LYS 41 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1j8c n GLU 42 N -3.48 0.14 -3.81 1.64 0.28 -1.14 -5.15 120.64 109.13 1j8c n GLU 42 Ca -0.37 -0.37 -0.26 0.00 -0.16 0.00 0.00 57.16 56.00 1j8c n GLU 42 Cb 1.01 0.53 -0.17 0.00 1.43 0.00 0.00 31.44 34.24 1j8c n GLU 42 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1j8c s LYS 43 N -2.01 0.94 -0.02 3.44 1.02 -1.26 -1.37 119.74 120.48 1j8c s LYS 43 Ca 0.08 -0.30 0.01 0.00 0.02 0.00 0.00 55.97 55.78 1j8c s LYS 43 Cb -0.01 -1.75 0.01 0.00 -0.52 0.00 0.00 37.83 35.57 1j8c s LYS 43 CO 0.01 -0.46 -0.05 -1.21 -0.92 0.00 0.00 175.35 172.72 1j8c s GLU 44 N 1.80 0.58 0.47 1.68 2.02 -1.08 -5.00 118.70 119.18 1j8c s GLU 44 Ca 0.01 -0.15 -0.19 0.00 0.02 0.00 0.00 54.97 54.66 1j8c s GLU 44 Cb -0.15 -0.59 -0.09 0.00 0.10 0.00 0.00 34.13 33.40 1j8c s GLU 44 CO -0.07 0.03 0.98 -2.00 0.02 0.00 0.00 175.26 174.22 1j8c s GLU 45 N 0.33 4.03 -0.17 1.61 2.56 -1.26 -2.63 118.70 123.16 1j8c s GLU 45 Ca -0.04 1.12 0.00 0.00 0.00 0.00 0.00 54.97 56.06 1j8c s GLU 45 Cb -0.08 -2.15 0.04 0.00 2.00 0.00 0.00 34.13 33.95 1j8c s GLU 45 CO -0.00 -0.20 -0.09 -0.06 -0.56 0.00 0.00 175.26 174.34 1j8c s PHE 46 N -2.28 2.10 -0.18 5.30 0.40 -0.16 -4.91 117.98 118.24 1j8c s PHE 46 Ca 0.62 -1.32 -0.23 0.00 -0.60 0.00 0.00 56.93 55.40 1j8c s PHE 46 Cb -0.11 -1.51 -0.02 0.00 0.51 0.00 0.00 43.02 41.89 1j8c s PHE 46 CO 0.20 -0.68 0.74 0.00 0.70 0.00 0.00 175.22 176.19 1j8c s ALA 47 N 1.50 3.53 0.04 5.36 0.00 -1.26 -2.63 121.76 128.31 1j8c s ALA 47 Ca 0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 51.96 51.82 1j8c s ALA 47 Cb -0.15 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 1j8c s ALA 47 CO -0.09 -0.62 0.08 0.14 0.00 0.00 0.00 175.76 175.27 1j8c s VAL 48 N 2.08 0.14 -0.03 0.00 -7.23 -1.08 -5.00 120.40 109.29 1j8c s VAL 48 Ca 0.34 -1.15 -0.30 0.00 -1.81 0.00 0.00 61.98 59.06 1j8c s VAL 48 Cb -0.16 -0.91 -0.06 0.00 0.56 0.00 0.00 36.38 35.81 1j8c s VAL 48 CO 0.11 -0.63 1.53 -2.16 -0.31 0.00 0.00 175.10 173.64 1j8c s PRO 49 N -2.67 4.22 0.17 4.82 0.04 -1.26 -1.44 135.00 138.87 1j8c s PRO 49 Ca -0.04 2.08 0.04 0.00 0.04 0.00 0.00 61.00 63.12 1j8c s PRO 49 Cb -0.01 -3.76 0.49 0.00 0.04 0.00 0.00 34.50 31.26 1j8c s PRO 49 CO -0.05 -0.72 0.79 0.39 0.04 0.00 0.00 177.00 177.44 1j8c n GLU 50 N 6.25 -0.04 -0.61 4.56 1.02 -0.82 0.13 120.64 131.12 1j8c n GLU 50 Ca 0.15 0.73 -0.04 0.00 -0.02 0.00 0.00 57.16 57.98 1j8c n GLU 50 Cb 0.43 -1.21 -0.05 0.00 -0.02 0.00 0.00 31.44 30.59 1j8c n GLU 50 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1j8c n ASN 51 N -4.42 4.87 -4.15 1.62 6.94 -1.26 -4.31 115.26 114.55 1j8c n ASN 51 Ca 0.14 -2.33 -0.37 0.00 -0.02 0.00 0.00 54.58 52.00 1j8c n ASN 51 Cb 0.48 -1.13 -0.11 0.00 -2.36 0.00 0.00 39.78 36.66 1j8c n ASN 51 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1j8c s SER 52 N 2.03 5.35 1.01 0.53 0.15 0.12 -5.01 113.70 117.88 1j8c s SER 52 Ca 0.21 -1.95 -0.11 0.00 0.70 0.00 0.00 55.95 54.80 1j8c s SER 52 Cb 0.10 -1.87 0.20 0.00 -1.71 0.00 0.00 66.02 62.74 1j8c s SER 52 CO 0.00 -0.56 1.09 -0.55 1.20 0.00 0.00 173.24 174.42 1j8c s SER 53 N 1.99 2.23 0.26 5.45 0.15 -1.26 -4.39 113.70 118.13 1j8c s SER 53 Ca 0.07 1.81 0.01 0.00 0.70 0.00 0.00 55.95 58.54 1j8c s SER 53 Cb -0.23 -2.41 0.33 0.00 -1.71 0.00 0.00 66.02 62.00 1j8c s SER 53 CO -0.03 -3.47 1.68 0.58 1.20 0.00 0.00 173.24 173.20 1j8c h VAL 54 N -2.12 1.27 -0.86 4.45 2.07 -1.81 -2.38 116.25 116.87 1j8c h VAL 54 Ca -0.52 -1.34 0.20 0.00 0.82 0.00 0.00 66.70 65.87 1j8c h VAL 54 Cb 1.30 1.36 -0.12 0.00 -1.52 0.00 0.00 31.29 32.31 1j8c h VAL 54 CO 0.47 0.43 0.34 -0.61 0.02 0.00 0.00 177.57 178.22 1j8c h GLN 55 N 0.48 0.37 0.19 1.57 4.15 -1.91 1.15 115.11 121.11 1j8c h GLN 55 Ca 0.06 -0.02 -0.31 0.00 0.77 0.00 0.00 58.65 59.15 1j8c h GLN 55 Cb 0.72 -0.08 0.02 0.00 0.21 0.00 0.00 27.48 28.35 1j8c h GLN 55 CO 0.06 0.25 -1.41 0.37 -1.93 0.00 0.00 178.83 176.16 1j8c h GLN 56 N 0.38 0.40 0.06 1.69 4.15 -1.89 -2.97 115.11 116.93 1j8c h GLN 56 Ca 0.52 -0.68 -0.00 0.00 0.77 0.00 0.00 58.65 59.26 1j8c h GLN 56 Cb 0.95 0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.89 1j8c h GLN 56 CO -0.52 1.31 -0.03 0.35 -1.93 0.00 0.00 178.83 178.02 1j8c h PHE 57 N 0.11 -0.07 -0.80 3.99 3.04 -0.59 -2.21 116.94 120.40 1j8c h PHE 57 Ca -0.21 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 61.79 1j8c h PHE 57 Cb 2.07 0.02 -0.06 0.00 2.56 0.00 0.00 35.95 40.55 1j8c h PHE 57 CO 0.09 0.40 0.50 0.87 -2.02 0.00 0.00 178.31 178.15 1j8c h LYS 58 N -0.58 0.90 0.00 1.11 1.79 0.11 0.10 116.57 120.00 1j8c h LYS 58 Ca -0.01 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 1j8c h LYS 58 Cb 0.51 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1j8c h LYS 58 CO 0.01 0.59 -0.17 0.93 -1.08 0.00 0.00 179.45 179.73 1j8c h GLU 59 N 0.92 0.00 -0.30 3.15 5.08 -1.52 -2.84 114.58 119.08 1j8c h GLU 59 Ca 0.34 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.64 1j8c h GLU 59 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1j8c h GLU 59 CO -0.16 0.17 -0.06 0.00 -1.00 0.00 0.00 179.01 177.97 1j8c h ALA 60 N 1.83 0.41 -0.92 3.43 0.00 -0.32 -3.03 119.26 120.65 1j8c h ALA 60 Ca -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1j8c h ALA 60 Cb 0.43 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1j8c h ALA 60 CO 0.02 0.21 0.56 0.82 0.00 0.00 0.00 179.25 180.86 1j8c h ILE 61 N 0.33 1.25 -0.11 0.00 2.04 -1.25 -1.54 117.51 118.23 1j8c h ILE 61 Ca 0.08 -0.55 0.04 0.00 1.00 0.00 0.00 64.86 65.43 1j8c h ILE 61 Cb 0.53 -0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 1j8c h ILE 61 CO 0.03 0.27 -0.22 0.28 0.00 0.00 0.00 178.15 178.51 1j8c h SER 62 N 1.27 -0.66 0.23 1.72 0.02 -1.46 1.10 113.55 115.77 1j8c h SER 62 Ca 0.33 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.38 1j8c h SER 62 Cb -0.06 0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1j8c h SER 62 CO -0.06 -0.27 -0.11 0.50 -1.14 0.00 0.00 176.83 175.75 1j8c h LYS 63 N -0.28 -0.30 0.17 3.45 3.64 -1.46 0.14 116.57 121.93 1j8c h LYS 63 Ca 0.09 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1j8c h LYS 63 Cb 0.42 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1j8c h LYS 63 CO -0.27 0.06 -0.08 0.00 -2.27 0.00 0.00 179.45 176.88 1j8c h ARG 64 N -0.73 -0.22 -0.33 1.90 -0.00 -1.21 -3.30 114.38 110.49 1j8c h ARG 64 Ca -0.03 0.02 -0.11 0.00 -0.50 0.00 0.00 59.98 59.35 1j8c h ARG 64 Cb 0.50 0.05 -0.01 0.00 0.00 0.00 0.00 29.97 30.50 1j8c h ARG 64 CO 0.05 0.20 -0.27 0.35 0.00 0.00 0.00 179.97 180.31 1j8c h PHE 65 N -0.82 0.77 -4.30 3.04 3.04 0.11 -3.49 116.94 115.29 1j8c h PHE 65 Ca -0.02 -0.18 0.00 0.00 3.98 0.00 0.00 57.97 61.74 1j8c h PHE 65 Cb 0.52 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.85 1j8c h PHE 65 CO 0.08 0.87 -0.32 1.17 -2.02 0.00 0.00 178.31 178.08 1j8c n LYS 66 N -4.10 -1.46 0.00 1.11 3.00 0.49 -4.99 118.16 112.21 1j8c n LYS 66 Ca -0.00 1.49 0.00 0.00 -0.00 0.00 0.00 58.31 59.79 1j8c n LYS 66 Cb 0.44 -3.85 0.00 0.00 0.00 0.00 0.00 35.03 31.62 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 -0.28 0.00 -1.03 3.14 2.88 -1.23 -5.05 113.62 112.05 1j8c n SER 67 Ca 0.06 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1j8c n SER 67 Cb 0.23 0.41 -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 -2.23 0.01 0.00 -1.46 6.02 -1.26 -5.07 117.38 113.39 1j8c n GLN 68 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1j8c n GLN 68 Cb 0.00 0.04 0.00 0.00 1.02 0.00 0.00 30.24 31.30 1j8c n GLN 68 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1j8c n THR 69 N -0.01 0.00 0.00 5.09 -1.04 -1.26 -3.64 114.28 113.43 1j8c n THR 69 Ca -0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1j8c n THR 69 Cb 0.01 -0.13 -0.00 0.00 -1.82 0.00 0.00 70.33 68.39 1j8c n THR 69 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1j8c h ASP 70 N 0.00 -0.03 0.09 8.00 1.82 -1.99 -3.34 116.42 120.97 1j8c h ASP 70 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1j8c h ASP 70 Cb 0.00 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.02 1j8c h ASP 70 CO 0.00 0.11 -0.03 1.56 -1.61 0.00 0.00 179.24 179.26 1j8c h GLN 71 N -0.29 0.00 -5.99 0.28 4.20 -1.95 -3.41 115.11 107.96 1j8c h GLN 71 Ca -0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 1j8c h GLN 71 Cb 0.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1j8c h GLN 71 CO 0.01 0.03 1.47 -1.17 -0.67 0.00 0.00 178.83 178.50 1j8c s LEU 72 N -7.74 3.44 0.16 1.46 2.96 -1.25 -1.03 118.68 116.67 1j8c s LEU 72 Ca -0.04 1.63 0.07 0.00 -0.22 0.00 0.00 54.13 55.56 1j8c s LEU 72 Cb 0.15 -3.35 -0.04 0.00 0.50 0.00 0.00 46.19 43.44 1j8c s LEU 72 CO 0.57 -2.06 -0.15 -0.69 -1.32 0.00 0.00 176.35 172.71 1j8c s VAL 73 N 8.61 1.54 -0.01 1.68 1.01 -1.08 -4.83 120.40 127.32 1j8c s VAL 73 Ca 0.95 -1.94 0.04 0.00 0.00 0.00 0.00 61.98 61.04 1j8c s VAL 73 Cb -0.28 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 1j8c s VAL 73 CO 0.33 -0.48 -0.13 -0.76 0.00 0.00 0.00 175.10 174.07 1j8c s LEU 74 N -2.82 2.86 -0.77 3.92 1.43 -1.11 -0.89 118.68 121.30 1j8c s LEU 74 Ca 0.15 -0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 52.92 1j8c s LEU 74 Cb -0.03 -1.63 0.20 0.00 0.03 0.00 0.00 46.19 44.76 1j8c s LEU 74 CO 0.05 0.30 0.66 -0.63 0.23 0.00 0.00 176.35 176.96 1j8c s ILE 75 N -0.87 4.89 -1.18 -0.59 -1.09 0.12 0.11 121.20 122.60 1j8c s ILE 75 Ca 0.14 -2.75 -0.20 0.00 -2.23 0.00 0.00 60.65 55.61 1j8c s ILE 75 Cb -0.11 -4.07 0.04 0.00 -1.58 0.00 0.00 42.46 36.74 1j8c s ILE 75 CO 0.04 -0.98 1.69 0.12 -1.23 0.00 0.00 174.94 174.58 1j8c s PHE 76 N -0.04 2.54 -1.02 3.97 2.19 -0.76 -2.61 117.98 122.26 1j8c s PHE 76 Ca 0.18 -1.00 -0.13 0.00 0.33 0.00 0.00 56.93 56.31 1j8c s PHE 76 Cb -0.14 -4.60 -0.01 0.00 -1.31 0.00 0.00 43.02 36.96 1j8c s PHE 76 CO -0.07 -1.77 0.76 0.00 1.83 0.00 0.00 175.22 175.98 1j8c n ALA 77 N 9.64 -2.58 0.00 11.12 0.00 -1.26 -2.04 120.51 135.39 1j8c n ALA 77 Ca 0.43 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1j8c n ALA 77 Cb 0.48 -3.35 0.00 0.00 0.00 0.00 0.00 19.45 16.57 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 -1.66 2.13 3.35 0.00 0.00 -1.26 -4.98 105.19 102.77 1j8c n GLY 78 Ca -0.11 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.64 -3.91 1.61 4.76 -0.87 -4.98 118.16 111.13 1j8c n LYS 79 Ca 0.00 -1.06 -0.33 0.00 -2.87 0.00 0.00 58.31 54.05 1j8c n LYS 79 Cb 0.00 -2.05 -0.13 0.00 -1.84 0.00 0.00 35.03 31.01 1j8c n LYS 79 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1j8c s ILE 80 N -2.26 2.72 -1.13 -0.18 -5.25 -1.26 -1.83 121.20 112.01 1j8c s ILE 80 Ca 0.68 -2.30 -0.24 0.00 -0.99 0.00 0.00 60.65 57.79 1j8c s ILE 80 Cb -0.20 -2.93 -0.15 0.00 2.95 0.00 0.00 42.46 42.12 1j8c s ILE 80 CO 0.62 -0.65 2.00 0.18 -1.79 0.00 0.00 174.94 175.30 1j8c n LEU 81 N 4.30 2.40 0.00 0.37 4.77 0.31 -4.69 117.00 124.46 1j8c n LEU 81 Ca 0.02 -2.89 0.00 0.00 -0.03 0.00 0.00 56.01 53.11 1j8c n LEU 81 Cb 0.41 -1.71 0.00 0.00 -2.33 0.00 0.00 43.42 39.79 1j8c n LEU 81 CO 0.27 -2.52 0.00 1.17 -1.33 0.00 0.00 177.39 174.98 1j8c n LYS 82 N 8.19 0.00 0.12 3.23 4.81 -1.26 -2.74 118.16 130.50 1j8c n LYS 82 Ca 0.44 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.99 1j8c n LYS 82 Cb 0.47 0.00 0.47 0.00 0.02 0.00 0.00 35.03 35.99 1j8c n LYS 82 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1j8c n ASP 83 N -0.55 0.62 -0.16 3.14 2.03 -1.26 -2.93 116.55 117.44 1j8c n ASP 83 Ca 0.00 0.64 0.24 0.00 0.52 0.00 0.00 54.79 56.20 1j8c n ASP 83 Cb 0.00 -0.78 0.66 0.00 -0.72 0.00 0.00 41.12 40.29 1j8c n ASP 83 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1j8c h GLN 84 N 0.00 0.10 0.00 -0.67 1.08 -1.95 -3.44 115.11 110.23 1j8c h GLN 84 Ca 0.00 -0.01 -0.19 0.00 -1.45 0.00 0.00 58.65 57.01 1j8c h GLN 84 Cb 0.38 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.75 1j8c h GLN 84 CO 0.00 0.06 -0.11 -3.47 -0.95 0.00 0.00 178.83 174.37 1j8c n ASP 85 N -4.35 -0.82 -4.89 1.46 -0.08 -1.15 -5.17 116.55 101.56 1j8c n ASP 85 Ca 0.17 -2.21 -0.24 0.00 -1.51 0.00 0.00 54.79 51.00 1j8c n ASP 85 Cb 0.82 1.55 -0.04 0.00 2.34 0.00 0.00 41.12 45.80 1j8c n ASP 85 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1j8c s THR 86 N -2.69 4.91 0.39 5.18 -4.23 -1.26 -4.45 115.64 113.50 1j8c s THR 86 Ca 0.19 -1.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.84 1j8c s THR 86 Cb -0.00 -3.58 0.13 0.00 1.34 0.00 0.00 72.50 70.39 1j8c s THR 86 CO 0.13 -0.20 1.89 -0.07 -0.54 0.00 0.00 174.62 175.83 1j8c h LEU 87 N 1.87 0.00 -2.09 4.79 4.07 -1.87 -1.08 115.31 121.00 1j8c h LEU 87 Ca -0.49 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.47 1j8c h LEU 87 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1j8c h LEU 87 CO 0.64 0.30 0.00 0.40 -1.08 0.00 0.00 178.44 178.70 1j8c h ILE 88 N 0.00 0.00 0.00 1.22 2.04 -1.85 -0.99 117.51 117.93 1j8c h ILE 88 Ca -0.00 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1j8c h ILE 88 Cb 0.54 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1j8c h ILE 88 CO 0.04 0.00 -0.72 1.67 0.00 0.00 0.00 178.15 179.13 1j8c n GLN 89 N -3.08 1.98 0.00 2.37 -0.06 -0.45 -4.91 117.38 113.22 1j8c n GLN 89 Ca -0.01 -0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 1j8c n GLN 89 Cb 0.21 -1.22 0.00 0.00 -4.06 0.00 0.00 30.24 25.17 1j8c n GLN 89 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1j8c n HIS 90 N -1.36 0.00 -0.25 3.69 8.25 -0.93 -4.96 115.22 119.66 1j8c n HIS 90 Ca 0.03 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.51 1j8c n HIS 90 Cb 0.24 0.00 0.26 0.00 1.12 0.00 0.00 29.99 31.60 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 1.14 -2.21 -1.41 0.00 -1.31 -3.45 103.07 95.83 1j8c h GLY 91 Ca 0.00 -0.39 -0.38 0.00 0.00 0.00 0.00 47.33 46.56 1j8c h GLY 91 CO 0.00 0.34 -0.55 -0.42 0.00 0.00 0.00 176.54 175.91 1j8c s ILE 92 N -5.85 0.04 0.00 2.60 -1.09 -0.40 -4.95 121.20 111.55 1j8c s ILE 92 Ca -0.11 -2.00 0.00 0.00 -2.23 0.00 0.00 60.65 56.31 1j8c s ILE 92 Cb 0.19 -2.50 0.00 0.00 -1.58 0.00 0.00 42.46 38.57 1j8c s ILE 92 CO 0.79 0.00 0.00 1.41 -1.23 0.00 0.00 174.94 175.91 1j8c n HIS 93 N -0.49 -0.76 0.00 3.97 8.25 -1.26 -4.73 115.22 120.20 1j8c n HIS 93 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1j8c n HIS 93 Cb 0.64 0.43 0.00 0.00 1.12 0.00 0.00 29.99 32.18 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 -2.36 0.00 0.00 0.41 5.68 -1.26 -4.96 116.55 114.06 1j8c n ASP 94 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1j8c n ASP 94 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 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 0.74 3.79 6.12 0.00 -0.23 -4.66 105.19 110.95 1j8c n GLY 95 Ca 0.00 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 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 2.67 0.06 0.99 1.02 -1.24 -4.86 118.68 117.32 1j8c s LEU 96 Ca 0.00 -1.36 0.07 0.00 0.02 0.00 0.00 54.13 52.86 1j8c s LEU 96 Cb 0.00 -1.06 -0.04 0.00 0.02 0.00 0.00 46.19 45.11 1j8c s LEU 96 CO 0.00 -0.83 -0.15 -0.89 0.02 0.00 0.00 176.35 174.51 1j8c s THR 97 N -2.76 3.06 0.02 5.49 2.01 -1.26 -0.54 115.64 121.66 1j8c s THR 97 Ca 0.25 -1.21 0.00 0.00 0.31 0.00 0.00 61.69 61.05 1j8c s THR 97 Cb 0.02 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 1j8c s THR 97 CO 0.15 0.25 -0.04 0.54 -0.69 0.00 0.00 174.62 174.83 1j8c s VAL 98 N -1.04 0.18 -0.33 3.82 0.11 -1.05 -4.73 120.40 117.35 1j8c s VAL 98 Ca 0.17 -0.85 -0.20 0.00 -2.93 0.00 0.00 61.98 58.17 1j8c s VAL 98 Cb -0.11 -0.30 -0.00 0.00 -1.53 0.00 0.00 36.38 34.44 1j8c s VAL 98 CO 0.08 -0.43 0.62 -2.28 -3.33 0.00 0.00 175.10 169.77 1j8c s HIS 99 N -1.30 3.18 0.44 1.54 2.46 -1.07 -2.82 115.29 117.72 1j8c s HIS 99 Ca -0.13 0.43 -0.21 0.00 0.47 0.00 0.00 55.06 55.62 1j8c s HIS 99 Cb -0.09 -3.05 -0.11 0.00 -0.13 0.00 0.00 32.58 29.21 1j8c s HIS 99 CO -0.01 -0.55 0.96 -1.17 -2.47 0.00 0.00 174.74 171.51 1j8c s LEU 100 N 2.63 3.92 -0.29 8.88 0.20 -0.72 0.16 118.68 133.46 1j8c s LEU 100 Ca 0.24 1.72 -0.15 0.00 0.69 0.00 0.00 54.13 56.63 1j8c s LEU 100 Cb -0.15 -4.54 0.15 0.00 -0.43 0.00 0.00 46.19 41.22 1j8c s LEU 100 CO 0.13 -0.43 0.96 0.54 -0.29 0.00 0.00 176.35 177.27 1j8c s VAL 101 N -2.16 -0.27 0.08 1.68 0.11 -0.07 -4.88 120.40 114.89 1j8c s VAL 101 Ca 0.63 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.38 1j8c s VAL 101 Cb -0.10 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.70 1j8c s VAL 101 CO 0.14 0.00 1.00 0.27 -3.33 0.00 0.00 175.10 173.18 1j8c s ILE 102 N 1.91 4.51 -2.65 7.04 -5.25 -1.26 -2.62 121.20 122.88 1j8c s ILE 102 Ca -0.06 1.97 0.21 0.00 -0.99 0.00 0.00 60.65 61.78 1j8c s ILE 102 Cb -0.05 -4.26 0.17 0.00 2.95 0.00 0.00 42.46 41.27 1j8c s ILE 102 CO -0.16 0.25 1.17 1.17 -1.79 0.00 0.00 174.94 175.57