#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j8i s LEU -6 N 0.00 4.44 -0.40 0.99 1.43 -1.26 -5.03 118.68 118.86 2j8i s LEU -6 Ca 0.00 1.74 -0.27 0.00 -1.03 0.00 0.00 54.13 54.57 2j8i s LEU -6 Cb 0.00 -3.73 0.02 0.00 0.03 0.00 0.00 46.19 42.51 2j8i s LEU -6 CO 0.00 0.04 1.02 -0.69 0.23 0.00 0.00 176.35 176.95 2j8i s VAL -5 N -1.44 4.45 0.17 -1.59 1.01 -1.26 -5.01 120.40 116.73 2j8i s VAL -5 Ca 0.45 1.29 -0.31 0.00 0.00 0.00 0.00 61.98 63.40 2j8i s VAL -5 Cb -0.20 -4.44 -0.10 0.00 0.00 0.00 0.00 36.38 31.64 2j8i s VAL -5 CO 0.25 -0.68 1.51 -2.16 0.00 0.00 0.00 175.10 174.02 2j8i s PRO -4 N 3.81 4.24 0.06 2.72 0.04 -1.26 -5.01 135.00 139.60 2j8i s PRO -4 Ca 0.42 2.30 0.02 0.00 0.04 0.00 0.00 61.00 63.79 2j8i s PRO -4 Cb -0.10 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 2j8i s PRO -4 CO 0.22 -0.54 -0.08 1.03 0.04 0.00 0.00 177.00 177.67 2j8i s ARG -3 N 0.87 0.63 0.00 4.56 0.52 -1.26 -4.73 118.95 119.54 2j8i s ARG -3 Ca 0.67 -0.93 0.00 0.00 -0.52 0.00 0.00 55.73 54.96 2j8i s ARG -3 Cb -0.42 -0.32 0.00 0.00 0.52 0.00 0.00 34.95 34.73 2j8i s ARG -3 CO 0.33 0.04 0.00 0.41 0.02 0.00 0.00 175.30 176.10 2j8i n GLY -2 N 1.05 0.83 3.16 -3.53 0.00 -1.26 -5.00 105.19 100.43 2j8i n GLY -2 Ca -0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 2j8i n GLY -2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2j8i s SER -1 N -2.75 0.30 -0.03 1.61 1.04 -1.26 -5.12 113.70 107.49 2j8i s SER -1 Ca 0.00 -0.86 -0.30 0.00 0.48 0.00 0.00 55.95 55.28 2j8i s SER -1 Cb 0.00 0.28 -0.07 0.00 0.10 0.00 0.00 66.02 66.32 2j8i s SER -1 CO 0.00 -0.68 1.95 -2.28 0.98 0.00 0.00 173.24 173.21 2j8i s HIS 0 N -3.91 1.40 0.23 5.02 2.46 -1.26 -4.25 115.29 114.98 2j8i s HIS 0 Ca 0.08 -0.15 -0.30 0.00 0.47 0.00 0.00 55.06 55.16 2j8i s HIS 0 Cb 0.06 -4.14 -0.09 0.00 -0.13 0.00 0.00 32.58 28.29 2j8i s HIS 0 CO -0.09 -4.96 1.31 1.41 -2.47 0.00 0.00 174.74 169.94 2j8i s MET 1 N 4.74 4.39 0.00 2.88 0.00 0.41 -4.99 119.30 126.73 2j8i s MET 1 Ca 0.87 2.09 -0.30 0.00 0.00 0.00 0.00 55.69 58.35 2j8i s MET 1 Cb -0.39 -3.17 -0.06 0.00 0.00 0.00 0.00 34.83 31.22 2j8i s MET 1 CO 0.38 -0.23 1.42 0.34 0.00 0.00 0.00 175.02 176.94 2j8i s ASP 2 N 0.13 6.83 0.35 1.11 -1.08 -1.26 -4.88 116.67 117.87 2j8i s ASP 2 Ca 0.55 2.13 0.04 0.00 -0.52 0.00 0.00 52.55 54.75 2j8i s ASP 2 Cb -0.37 -2.56 0.63 0.00 -1.46 0.00 0.00 42.92 39.16 2j8i s ASP 2 CO 0.41 -0.74 1.93 0.58 0.52 0.00 0.00 175.17 177.87 2j8i h VAL 3 N 4.94 1.18 -0.86 1.11 2.07 -1.94 -0.93 116.25 121.81 2j8i h VAL 3 Ca -0.38 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 2j8i h VAL 3 Cb 1.18 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 2j8i h VAL 3 CO 0.91 0.22 0.49 -0.33 0.02 0.00 0.00 177.57 178.88 2j8i h GLU 4 N 0.62 1.19 -0.25 1.57 3.07 -1.96 -0.23 114.58 118.58 2j8i h GLU 4 Ca 0.15 -0.12 -0.10 0.00 -0.50 0.00 0.00 59.36 58.79 2j8i h GLU 4 Cb 0.17 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 27.84 2j8i h GLU 4 CO -0.01 0.85 -0.23 -0.22 -1.40 0.00 0.00 179.01 178.01 2j8i h LYS 5 N 1.20 0.59 -0.38 2.33 1.63 -1.78 -1.85 116.57 118.30 2j8i h LYS 5 Ca 0.31 -0.30 0.08 0.00 -0.85 0.00 0.00 60.65 59.88 2j8i h LYS 5 Cb -0.00 0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 31.55 2j8i h LYS 5 CO -0.05 0.90 -0.18 1.25 -3.45 0.00 0.00 179.45 177.91 2j8i h LEU 6 N 0.30 -0.63 -0.58 5.20 5.85 -0.97 -0.88 115.31 123.60 2j8i h LEU 6 Ca 0.04 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 2j8i h LEU 6 Cb 0.78 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 2j8i h LEU 6 CO 0.06 -0.22 0.27 0.03 -0.34 0.00 0.00 178.44 178.24 2j8i h ARG 7 N -0.12 0.85 -0.56 1.25 3.08 -0.96 -0.32 114.38 117.60 2j8i h ARG 7 Ca 0.19 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 2j8i h ARG 7 Cb 0.41 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 2j8i h ARG 7 CO -0.46 0.70 0.29 1.96 -1.07 0.00 0.00 179.97 181.39 2j8i h GLN 8 N 0.80 0.80 -0.17 0.04 4.20 -1.22 -1.22 115.11 118.34 2j8i h GLN 8 Ca 0.20 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 2j8i h GLN 8 Cb 0.14 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2j8i h GLN 8 CO -0.02 0.63 0.02 -0.07 -0.67 0.00 0.00 178.83 178.72 2j8i h LEU 9 N 0.76 0.28 -0.68 1.46 3.38 -0.84 -0.65 115.31 119.02 2j8i h LEU 9 Ca 0.20 -0.28 0.09 0.00 0.09 0.00 0.00 57.88 57.98 2j8i h LEU 9 Cb 0.08 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 2j8i h LEU 9 CO -0.03 0.49 0.31 0.22 0.09 0.00 0.00 178.44 179.52 2j8i h TYR 10 N 0.06 0.55 0.00 1.13 5.03 -1.05 -1.36 116.97 121.32 2j8i h TYR 10 Ca 0.05 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.33 2j8i h TYR 10 Cb 0.33 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.46 2j8i h TYR 10 CO 0.02 0.18 -0.28 0.00 -1.32 0.00 0.00 178.16 176.76 2j8i h ALA 11 N 1.43 1.30 0.00 1.82 0.00 -0.94 -2.21 119.26 120.66 2j8i h ALA 11 Ca 0.34 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2j8i h ALA 11 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2j8i h ALA 11 CO -0.28 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.32 2j8i n ALA 12 N -2.38 2.21 0.00 0.00 0.00 -0.27 -4.90 120.51 115.16 2j8i n ALA 12 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2j8i n ALA 12 Cb 0.37 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2j8i n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j8i n GLY 13 N 1.21 1.02 3.72 0.00 0.00 -0.83 -5.08 105.19 105.23 2j8i n GLY 13 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2j8i n GLY 13 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2j8i s GLU 14 N -0.29 4.26 -0.00 1.61 2.56 -0.62 -4.91 118.70 121.31 2j8i s GLU 14 Ca 0.00 2.25 0.02 0.00 0.00 0.00 0.00 54.97 57.24 2j8i s GLU 14 Cb 0.00 -3.18 -0.02 0.00 2.00 0.00 0.00 34.13 32.93 2j8i s GLU 14 CO 0.00 -0.52 0.05 0.54 -0.56 0.00 0.00 175.26 174.77 2j8i n ARG 15 N 3.70 2.56 -2.92 4.30 5.12 -1.26 -4.18 116.66 123.97 2j8i n ARG 15 Ca 0.12 -0.01 -0.44 0.00 -1.93 0.00 0.00 57.85 55.59 2j8i n ARG 15 Cb 0.40 -0.86 -0.03 0.00 -1.16 0.00 0.00 32.46 30.81 2j8i n ARG 15 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2j8i s ASP 16 N -1.78 6.36 -0.32 0.55 -1.08 -1.26 0.14 116.67 119.27 2j8i s ASP 16 Ca -0.00 -1.48 0.07 0.00 -0.52 0.00 0.00 52.55 50.62 2j8i s ASP 16 Cb 0.01 -2.40 0.47 0.00 -1.46 0.00 0.00 42.92 39.54 2j8i s ASP 16 CO 0.07 -1.25 1.37 0.49 0.52 0.00 0.00 175.17 176.37 2j8i n PHE 17 N 7.07 1.86 -1.63 -5.34 3.72 0.90 -4.96 117.46 119.09 2j8i n PHE 17 Ca 0.07 -2.02 -0.43 0.00 -0.05 0.00 0.00 57.45 55.01 2j8i n PHE 17 Cb 0.47 -0.50 -0.01 0.00 -0.94 0.00 0.00 39.48 38.50 2j8i n PHE 17 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2j8i n SER 18 N -0.92 1.71 -1.57 4.37 7.64 -0.98 -3.17 113.62 120.70 2j8i n SER 18 Ca 0.39 1.15 -0.15 0.00 1.01 0.00 0.00 58.87 61.27 2j8i n SER 18 Cb 0.90 -1.36 -0.06 0.00 -1.01 0.00 0.00 64.21 62.69 2j8i n SER 18 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2j8i n ILE 19 N 0.07 -0.10 -1.78 0.44 -5.35 -0.19 -4.90 119.36 107.54 2j8i n ILE 19 Ca 0.08 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.24 2j8i n ILE 19 Cb 0.35 -1.51 0.03 0.00 -1.74 0.00 0.00 39.64 36.77 2j8i n ILE 19 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 2j8i s VAL 20 N -2.33 3.91 -0.44 7.28 -7.23 -1.19 -4.72 120.40 115.68 2j8i s VAL 20 Ca 0.00 0.75 -0.10 0.00 -1.81 0.00 0.00 61.98 60.82 2j8i s VAL 20 Cb 0.00 -3.38 0.09 0.00 0.56 0.00 0.00 36.38 33.65 2j8i s VAL 20 CO 0.00 -0.69 0.31 -0.62 -0.31 0.00 0.00 175.10 173.79 2j8i s ASP 21 N -3.32 5.74 -0.19 4.85 2.15 -1.26 -0.57 116.67 124.06 2j8i s ASP 21 Ca 0.61 -1.60 0.12 0.00 0.43 0.00 0.00 52.55 52.11 2j8i s ASP 21 Cb -0.15 -2.03 0.41 0.00 -0.30 0.00 0.00 42.92 40.85 2j8i s ASP 21 CO 0.47 -0.60 1.21 0.18 -0.17 0.00 0.00 175.17 176.26 2j8i n LEU 22 N 4.96 2.60 -4.71 -1.34 4.77 0.88 -0.44 117.00 123.72 2j8i n LEU 22 Ca -0.10 -3.76 -0.42 0.00 -0.03 0.00 0.00 56.01 51.70 2j8i n LEU 22 Cb 0.42 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 2j8i n LEU 22 CO 0.42 1.32 1.35 -0.13 -1.33 0.00 0.00 177.39 179.02 2j8i s ARG 23 N -3.07 4.16 0.00 3.23 0.52 -1.09 -2.11 118.95 120.59 2j8i s ARG 23 Ca 0.37 2.51 0.00 0.00 -0.52 0.00 0.00 55.73 58.10 2j8i s ARG 23 Cb 0.36 -3.26 0.00 0.00 0.52 0.00 0.00 34.95 32.58 2j8i s ARG 23 CO -0.07 -0.73 0.00 0.41 0.02 0.00 0.00 175.30 174.93 2j8i n GLY 24 N 3.98 0.21 3.77 -3.53 0.00 0.00 -4.89 105.19 104.73 2j8i n GLY 24 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 2j8i n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j8i s ALA 25 N -1.45 2.90 -0.90 4.61 0.00 -0.90 -4.61 121.76 121.41 2j8i s ALA 25 Ca 0.00 0.98 -0.20 0.00 0.00 0.00 0.00 51.96 52.74 2j8i s ALA 25 Cb 0.00 -3.41 0.11 0.00 0.00 0.00 0.00 23.12 19.82 2j8i s ALA 25 CO 0.00 -0.79 1.14 0.08 0.00 0.00 0.00 175.76 176.19 2j8i s VAL 26 N -1.54 4.57 -0.52 0.00 1.01 -1.26 -0.53 120.40 122.12 2j8i s VAL 26 Ca 0.66 -1.28 0.15 0.00 0.00 0.00 0.00 61.98 61.51 2j8i s VAL 26 Cb -0.30 -4.80 0.50 0.00 0.00 0.00 0.00 36.38 31.78 2j8i s VAL 26 CO 0.36 -1.55 1.41 0.18 0.00 0.00 0.00 175.10 175.49 2j8i n LEU 27 N 7.01 3.78 -4.62 3.92 4.77 0.84 -4.96 117.00 127.74 2j8i n LEU 27 Ca 0.20 -2.63 -0.48 0.00 -0.03 0.00 0.00 56.01 53.07 2j8i n LEU 27 Cb 0.49 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 2j8i n LEU 27 CO 0.54 0.70 0.92 1.21 -1.33 0.00 0.00 177.39 179.44 2j8i n GLU 28 N 0.05 1.56 -0.42 3.23 2.13 -0.39 -1.73 120.64 125.07 2j8i n GLU 28 Ca 0.19 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.57 2j8i n GLU 28 Cb 0.76 -2.18 0.00 0.00 0.27 0.00 0.00 31.44 30.30 2j8i n GLU 28 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2j8i n ASN 29 N 2.39 0.00 -4.76 4.31 5.03 0.64 -4.92 115.26 117.95 2j8i n ASN 29 Ca 0.15 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.22 2j8i n ASN 29 Cb 0.26 -0.90 0.01 0.00 -1.02 0.00 0.00 39.78 38.13 2j8i n ASN 29 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 2j8i s ILE 30 N -2.42 2.66 -0.46 2.41 2.07 -0.71 -4.66 121.20 120.10 2j8i s ILE 30 Ca 0.00 0.53 -0.17 0.00 -1.41 0.00 0.00 60.65 59.59 2j8i s ILE 30 Cb 0.00 -3.28 0.04 0.00 0.13 0.00 0.00 42.46 39.35 2j8i s ILE 30 CO 0.00 0.02 0.48 0.21 -1.91 0.00 0.00 174.94 173.75 2j8i s ASN 31 N -1.05 6.19 -0.20 4.50 3.84 -1.26 -0.14 114.94 126.82 2j8i s ASN 31 Ca 0.64 -0.90 0.12 0.00 0.21 0.00 0.00 52.86 52.93 2j8i s ASN 31 Cb -0.35 -2.23 0.41 0.00 -0.55 0.00 0.00 41.25 38.53 2j8i s ASN 31 CO 0.43 -0.69 1.24 0.18 -2.79 0.00 0.00 177.10 175.47 2j8i n LEU 32 N 5.68 2.81 -4.73 3.21 4.77 0.40 -4.97 117.00 124.16 2j8i n LEU 32 Ca -0.08 -3.74 -0.42 0.00 -0.03 0.00 0.00 56.01 51.73 2j8i n LEU 32 Cb 0.46 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 2j8i n LEU 32 CO 0.49 1.26 1.26 -1.54 -1.33 0.00 0.00 177.39 177.53 2j8i n SER 33 N -1.16 3.83 0.00 -1.43 3.41 -0.88 -1.49 113.62 115.90 2j8i n SER 33 Ca 0.20 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.94 2j8i n SER 33 Cb 0.72 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 2j8i n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2j8i n GLY 34 N 2.59 1.18 3.74 5.00 0.00 -0.62 -4.92 105.19 112.15 2j8i n GLY 34 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2j8i n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j8i s ALA 35 N -3.85 3.57 -0.40 4.61 0.00 -0.55 -4.73 121.76 120.40 2j8i s ALA 35 Ca 0.00 1.18 -0.29 0.00 0.00 0.00 0.00 51.96 52.85 2j8i s ALA 35 Cb 0.00 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.63 2j8i s ALA 35 CO 0.00 -0.61 1.12 0.42 0.00 0.00 0.00 175.76 176.69 2j8i s ILE 36 N 0.21 4.34 -0.22 0.00 1.01 0.12 -1.59 121.20 125.07 2j8i s ILE 36 Ca 0.59 1.46 0.11 0.00 0.00 0.00 0.00 60.65 62.81 2j8i s ILE 36 Cb -0.38 -4.50 0.43 0.00 0.01 0.00 0.00 42.46 38.02 2j8i s ILE 36 CO 0.39 -0.75 1.21 0.18 0.00 0.00 0.00 174.94 175.96 2j8i n LEU 37 N 7.40 3.11 -4.69 2.97 4.77 0.11 -0.07 117.00 130.61 2j8i n LEU 37 Ca 0.12 -3.95 -0.43 0.00 -0.03 0.00 0.00 56.01 51.72 2j8i n LEU 37 Cb 0.48 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2j8i n LEU 37 CO 0.66 1.51 1.47 1.57 -1.33 0.00 0.00 177.39 181.27 2j8i n HIS 38 N -0.88 2.60 -1.18 -1.77 -0.00 -0.97 -1.94 115.22 111.08 2j8i n HIS 38 Ca 0.24 -0.14 -0.06 0.00 0.46 0.00 0.00 57.72 58.22 2j8i n HIS 38 Cb 0.80 -2.73 -0.03 0.00 -0.12 0.00 0.00 29.99 27.92 2j8i n HIS 38 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2j8i n GLY 39 N 4.22 0.72 3.83 1.57 0.00 -0.37 -1.02 105.19 114.14 2j8i n GLY 39 Ca 0.18 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 2j8i n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j8i s ALA 40 N -1.80 2.84 -0.29 4.61 0.00 -0.82 -4.10 121.76 122.20 2j8i s ALA 40 Ca 0.00 0.18 -0.07 0.00 0.00 0.00 0.00 51.96 52.07 2j8i s ALA 40 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2j8i s ALA 40 CO 0.00 -0.81 0.08 -1.64 0.00 0.00 0.00 175.76 173.39 2j8i s MET 41 N -4.55 3.20 -0.10 0.00 -1.94 0.26 -1.24 119.30 114.93 2j8i s MET 41 Ca 0.60 -0.79 0.14 0.00 -1.71 0.00 0.00 55.69 53.93 2j8i s MET 41 Cb -0.13 -3.36 0.22 0.00 2.01 0.00 0.00 34.83 33.56 2j8i s MET 41 CO 0.44 -0.40 1.11 1.28 -0.01 0.00 0.00 175.02 177.45 2j8i n LEU 42 N 4.88 1.75 -4.64 -0.03 4.77 0.79 -0.09 117.00 124.43 2j8i n LEU 42 Ca -0.15 -2.55 -0.46 0.00 -0.03 0.00 0.00 56.01 52.82 2j8i n LEU 42 Cb 0.49 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 2j8i n LEU 42 CO 0.31 0.59 0.92 0.47 -1.33 0.00 0.00 177.39 178.36 2j8i n ASP 43 N -1.06 2.32 -0.23 -1.43 9.92 -1.08 -1.82 116.55 123.17 2j8i n ASP 43 Ca 0.12 1.14 -0.03 0.00 -0.53 0.00 0.00 54.79 55.49 2j8i n ASP 43 Cb 0.66 -1.36 -0.01 0.00 -0.64 0.00 0.00 41.12 39.76 2j8i n ASP 43 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2j8i n GLU 44 N 1.92 -1.60 -2.24 -1.24 -0.58 0.14 -0.82 120.64 116.23 2j8i n GLU 44 Ca 0.12 0.54 -0.36 0.00 -0.42 0.00 0.00 57.16 57.04 2j8i n GLU 44 Cb 0.29 -4.79 -0.00 0.00 -0.57 0.00 0.00 31.44 26.38 2j8i n GLU 44 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2j8i s ALA 45 N -1.42 2.79 -0.72 0.62 0.00 -0.76 -3.96 121.76 118.32 2j8i s ALA 45 Ca 0.00 0.88 -0.24 0.00 0.00 0.00 0.00 51.96 52.60 2j8i s ALA 45 Cb 0.00 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 19.80 2j8i s ALA 45 CO 0.00 -0.76 1.12 1.21 0.00 0.00 0.00 175.76 177.33 2j8i s ASN 46 N -1.60 6.20 -0.35 0.00 3.84 0.31 -0.78 114.94 122.56 2j8i s ASN 46 Ca 0.70 -0.85 0.07 0.00 0.21 0.00 0.00 52.86 52.99 2j8i s ASN 46 Cb -0.26 -2.48 0.53 0.00 -0.55 0.00 0.00 41.25 38.49 2j8i s ASN 46 CO 0.30 -1.58 1.58 0.18 -2.79 0.00 0.00 177.10 174.78 2j8i n LEU 47 N 8.37 4.94 -4.70 3.21 4.77 0.75 -0.11 117.00 134.23 2j8i n LEU 47 Ca 0.02 -3.86 -0.42 0.00 -0.03 0.00 0.00 56.01 51.72 2j8i n LEU 47 Cb 0.47 -0.68 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 2j8i n LEU 47 CO 0.66 1.30 1.26 -1.10 -1.33 0.00 0.00 177.39 178.18 2j8i s GLN 48 N -3.33 4.22 -1.15 3.23 -0.21 -0.98 -1.85 119.66 119.59 2j8i s GLN 48 Ca 0.49 2.31 0.00 0.00 0.02 0.00 0.00 55.36 58.18 2j8i s GLN 48 Cb 0.43 -3.37 0.00 0.00 1.00 0.00 0.00 33.01 31.07 2j8i s GLN 48 CO 0.02 -0.65 0.00 1.04 -2.12 0.00 0.00 175.29 173.58 2j8i n GLN 49 N 4.72 -1.57 -1.97 2.91 3.00 0.20 -0.26 117.38 124.42 2j8i n GLN 49 Ca 0.15 0.87 -0.39 0.00 -0.01 0.00 0.00 57.00 57.61 2j8i n GLN 49 Cb 0.40 -5.22 0.01 0.00 0.00 0.00 0.00 30.24 25.43 2j8i n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2j8i s ALA 50 N -2.00 3.06 -0.49 -1.58 0.00 -0.77 -4.22 121.76 115.76 2j8i s ALA 50 Ca 0.00 1.24 -0.19 0.00 0.00 0.00 0.00 51.96 53.01 2j8i s ALA 50 Cb 0.00 -3.51 0.05 0.00 0.00 0.00 0.00 23.12 19.66 2j8i s ALA 50 CO 0.00 -1.03 0.61 1.21 0.00 0.00 0.00 175.76 176.55 2j8i s ASN 51 N -0.90 6.23 -0.21 0.00 3.84 0.80 -0.86 114.94 123.85 2j8i s ASN 51 Ca 0.64 -0.84 0.14 0.00 0.21 0.00 0.00 52.86 53.00 2j8i s ASN 51 Cb -0.38 -2.29 0.44 0.00 -0.55 0.00 0.00 41.25 38.48 2j8i s ASN 51 CO 0.47 -0.86 1.33 0.18 -2.79 0.00 0.00 177.10 175.43 2j8i n LEU 52 N 6.13 3.34 -4.72 3.21 4.77 -0.08 -0.45 117.00 129.21 2j8i n LEU 52 Ca -0.06 -3.47 -0.42 0.00 -0.03 0.00 0.00 56.01 52.03 2j8i n LEU 52 Cb 0.46 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 2j8i n LEU 52 CO 0.53 1.03 1.27 -0.94 -1.33 0.00 0.00 177.39 177.95 2j8i s SER 53 N -2.64 6.51 -1.36 -1.43 1.04 -0.87 -1.79 113.70 113.16 2j8i s SER 53 Ca 0.40 2.72 0.00 0.00 0.48 0.00 0.00 55.95 59.55 2j8i s SER 53 Cb 0.35 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.87 2j8i s SER 53 CO 0.01 -0.87 0.00 0.54 0.98 0.00 0.00 173.24 173.90 2j8i n ARG 54 N 3.75 -1.33 -2.43 4.02 3.00 -0.33 -1.59 116.66 121.74 2j8i n ARG 54 Ca 0.14 0.93 -0.41 0.00 -0.01 0.00 0.00 57.85 58.50 2j8i n ARG 54 Cb 0.37 -5.17 -0.04 0.00 0.00 0.00 0.00 32.46 27.63 2j8i n ARG 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2j8i s ALA 55 N -2.25 3.41 -0.82 7.54 0.00 -0.74 -3.89 121.76 125.01 2j8i s ALA 55 Ca 0.00 0.91 -0.25 0.00 0.00 0.00 0.00 51.96 52.63 2j8i s ALA 55 Cb 0.00 -3.37 0.05 0.00 0.00 0.00 0.00 23.12 19.80 2j8i s ALA 55 CO 0.00 -0.27 1.27 0.34 0.00 0.00 0.00 175.76 177.09 2j8i s ASP 56 N -0.27 6.29 -0.31 0.00 2.15 -0.62 -1.32 116.67 122.60 2j8i s ASP 56 Ca 0.49 -0.94 0.10 0.00 0.43 0.00 0.00 52.55 52.63 2j8i s ASP 56 Cb -0.32 -2.53 0.72 0.00 -0.30 0.00 0.00 42.92 40.49 2j8i s ASP 56 CO 0.38 -1.62 1.76 0.18 -0.17 0.00 0.00 175.17 175.70 2j8i n LEU 57 N 8.75 5.81 -4.72 -1.34 4.77 -0.25 0.07 117.00 130.09 2j8i n LEU 57 Ca 0.12 -3.26 -0.42 0.00 -0.03 0.00 0.00 56.01 52.42 2j8i n LEU 57 Cb 0.49 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 2j8i n LEU 57 CO 0.67 0.84 1.24 -0.94 -1.33 0.00 0.00 177.39 177.87 2j8i s SER 58 N -1.23 6.55 -0.29 -1.43 1.04 -0.99 -1.54 113.70 115.81 2j8i s SER 58 Ca 0.54 2.68 0.00 0.00 0.48 0.00 0.00 55.95 59.65 2j8i s SER 58 Cb 0.43 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.95 2j8i s SER 58 CO 0.12 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.11 2j8i n GLY 59 N 3.56 0.45 3.86 7.32 0.00 0.07 -1.23 105.19 119.21 2j8i n GLY 59 Ca 0.13 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2j8i n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j8i s ALA 60 N -1.63 3.25 -0.15 4.61 0.00 -0.59 -3.64 121.76 123.60 2j8i s ALA 60 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 51.96 51.91 2j8i s ALA 60 Cb 0.00 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 2j8i s ALA 60 CO 0.00 0.03 0.02 0.95 0.00 0.00 0.00 175.76 176.76 2j8i s THR 61 N -2.32 4.41 -0.06 0.00 -4.23 -0.37 -1.46 115.64 111.61 2j8i s THR 61 Ca 0.55 -0.18 0.16 0.00 -1.18 0.00 0.00 61.69 61.04 2j8i s THR 61 Cb -0.10 -2.94 0.32 0.00 1.34 0.00 0.00 72.50 71.12 2j8i s THR 61 CO 0.26 0.51 1.14 0.18 -0.54 0.00 0.00 174.62 176.17 2j8i n LEU 62 N 3.21 1.34 -4.67 4.79 4.32 0.20 -0.15 117.00 126.04 2j8i n LEU 62 Ca -0.17 -2.36 -0.52 0.00 -0.02 0.00 0.00 56.01 52.93 2j8i n LEU 62 Cb 0.53 -0.17 -0.06 0.00 -1.62 0.00 0.00 43.42 42.10 2j8i n LEU 62 CO 0.33 0.68 1.27 0.59 -1.22 0.00 0.00 177.39 179.04 2j8i n ASN 63 N -0.19 2.62 -0.51 -1.43 4.13 -1.21 -1.11 115.26 117.56 2j8i n ASN 63 Ca 0.09 1.06 -0.07 0.00 1.68 0.00 0.00 54.58 57.34 2j8i n ASN 63 Cb 0.89 -1.25 -0.03 0.00 -1.54 0.00 0.00 39.78 37.86 2j8i n ASN 63 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2j8i n GLY 64 N 3.82 0.72 3.77 7.41 0.00 -0.86 0.26 105.19 120.31 2j8i n GLY 64 Ca 0.23 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 2j8i n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j8i s ALA 65 N -1.76 2.80 -0.58 4.61 0.00 -0.26 -4.05 121.76 122.52 2j8i s ALA 65 Ca 0.00 0.96 -0.17 0.00 0.00 0.00 0.00 51.96 52.75 2j8i s ALA 65 Cb 0.00 -3.41 0.12 0.00 0.00 0.00 0.00 23.12 19.83 2j8i s ALA 65 CO 0.00 -0.86 0.62 0.34 0.00 0.00 0.00 175.76 175.87 2j8i s ASP 66 N -1.47 6.21 -0.31 0.00 -1.08 0.04 -1.72 116.67 118.34 2j8i s ASP 66 Ca 0.69 -1.64 0.08 0.00 -0.52 0.00 0.00 52.55 51.16 2j8i s ASP 66 Cb -0.29 -2.26 0.53 0.00 -1.46 0.00 0.00 42.92 39.44 2j8i s ASP 66 CO 0.34 -0.99 1.53 0.18 0.52 0.00 0.00 175.17 176.75 2j8i n LEU 67 N 5.78 4.51 -4.69 -1.34 4.77 -0.63 -0.18 117.00 125.22 2j8i n LEU 67 Ca -0.10 -3.76 -0.42 0.00 -0.03 0.00 0.00 56.01 51.70 2j8i n LEU 67 Cb 0.42 -0.67 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 2j8i n LEU 67 CO 0.56 1.24 1.42 -0.13 -1.33 0.00 0.00 177.39 179.15 2j8i s ARG 68 N -3.26 4.16 0.00 3.23 0.52 -1.18 -1.79 118.95 120.63 2j8i s ARG 68 Ca 0.46 2.52 0.00 0.00 -0.52 0.00 0.00 55.73 58.19 2j8i s ARG 68 Cb 0.42 -3.57 0.00 0.00 0.52 0.00 0.00 34.95 32.31 2j8i s ARG 68 CO 0.01 -0.81 0.00 0.41 0.02 0.00 0.00 175.30 174.94 2j8i n GLY 69 N 4.15 0.31 3.77 -3.53 0.00 -0.77 -0.63 105.19 108.50 2j8i n GLY 69 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2j8i n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j8i s ALA 70 N -1.69 3.22 -0.46 4.61 0.00 -0.74 -3.98 121.76 122.72 2j8i s ALA 70 Ca 0.00 0.67 -0.17 0.00 0.00 0.00 0.00 51.96 52.47 2j8i s ALA 70 Cb 0.00 -3.25 0.05 0.00 0.00 0.00 0.00 23.12 19.92 2j8i s ALA 70 CO 0.00 -0.03 0.46 1.21 0.00 0.00 0.00 175.76 177.40 2j8i s ASN 71 N -1.40 6.18 -0.21 0.00 2.47 -0.04 -0.62 114.94 121.31 2j8i s ASN 71 Ca 0.51 -1.01 0.15 0.00 0.42 0.00 0.00 52.86 52.93 2j8i s ASN 71 Cb -0.23 -2.22 0.61 0.00 -1.45 0.00 0.00 41.25 37.95 2j8i s ASN 71 CO 0.29 -0.69 1.53 0.18 -3.72 0.00 0.00 177.10 174.70 2j8i n LEU 72 N 5.58 4.48 -4.74 3.21 4.77 -0.00 -0.90 117.00 129.39 2j8i n LEU 72 Ca -0.09 -3.08 -0.41 0.00 -0.03 0.00 0.00 56.01 52.40 2j8i n LEU 72 Cb 0.45 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 2j8i n LEU 72 CO 0.48 0.72 1.06 -0.94 -1.33 0.00 0.00 177.39 177.38 2j8i s SER 73 N -1.67 6.74 -0.24 -1.43 1.04 -1.09 -1.82 113.70 115.23 2j8i s SER 73 Ca 0.46 2.58 0.00 0.00 0.48 0.00 0.00 55.95 59.47 2j8i s SER 73 Cb 0.37 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.87 2j8i s SER 73 CO 0.10 -0.64 0.00 0.29 0.98 0.00 0.00 173.24 173.97 2j8i n LYS 74 N 2.42 -1.93 -2.38 4.02 5.02 -0.67 -1.19 118.16 123.44 2j8i n LYS 74 Ca 0.06 0.52 -0.35 0.00 -2.02 0.00 0.00 58.31 56.52 2j8i n LYS 74 Cb 0.41 -4.78 -0.02 0.00 -0.02 0.00 0.00 35.03 30.62 2j8i n LYS 74 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2j8i s ALA 75 N -1.08 2.81 -0.41 7.82 0.00 -0.76 -4.03 121.76 126.11 2j8i s ALA 75 Ca 0.00 0.75 -0.21 0.00 0.00 0.00 0.00 51.96 52.50 2j8i s ALA 75 Cb 0.00 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.82 2j8i s ALA 75 CO 0.00 -0.55 0.64 0.34 0.00 0.00 0.00 175.76 176.19 2j8i s ASP 76 N -1.80 6.36 -0.16 0.00 -1.08 -0.43 0.02 116.67 119.57 2j8i s ASP 76 Ca 0.69 -0.14 0.16 0.00 -0.52 0.00 0.00 52.55 52.73 2j8i s ASP 76 Cb -0.21 -2.32 0.58 0.00 -1.46 0.00 0.00 42.92 39.51 2j8i s ASP 76 CO 0.25 -0.71 1.49 0.18 0.52 0.00 0.00 175.17 176.90 2j8i n LEU 77 N 6.19 4.25 -4.67 -1.34 4.77 0.99 -1.09 117.00 126.09 2j8i n LEU 77 Ca -0.01 -2.82 -0.47 0.00 -0.03 0.00 0.00 56.01 52.68 2j8i n LEU 77 Cb 0.48 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 2j8i n LEU 77 CO 0.52 0.69 1.24 -1.20 -1.33 0.00 0.00 177.39 177.30 2j8i n SER 78 N 0.02 3.11 0.00 -1.43 7.64 -1.07 -1.52 113.62 120.37 2j8i n SER 78 Ca 0.22 1.06 0.00 0.00 1.01 0.00 0.00 58.87 61.16 2j8i n SER 78 Cb 0.90 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 2j8i n SER 78 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2j8i n ASP 79 N 3.96 -2.68 -4.81 6.43 8.00 -1.26 -0.75 116.55 125.44 2j8i n ASP 79 Ca 0.18 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.35 2j8i n ASP 79 Cb 0.29 -2.07 -0.03 0.00 -0.02 0.00 0.00 41.12 39.29 2j8i n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2j8i s ALA 80 N -1.67 2.89 -0.39 2.24 0.00 -0.57 -3.77 121.76 120.49 2j8i s ALA 80 Ca 0.00 0.49 -0.07 0.00 0.00 0.00 0.00 51.96 52.38 2j8i s ALA 80 Cb 0.00 -3.22 0.07 0.00 0.00 0.00 0.00 23.12 19.97 2j8i s ALA 80 CO 0.00 -0.33 0.20 0.42 0.00 0.00 0.00 175.76 176.04 2j8i s ILE 81 N -2.16 3.91 -1.75 0.00 1.09 -0.53 -4.89 121.20 116.86 2j8i s ILE 81 Ca 0.65 -1.43 0.18 0.00 -1.10 0.00 0.00 60.65 58.95 2j8i s ILE 81 Cb -0.15 -3.38 0.39 0.00 -1.06 0.00 0.00 42.46 38.26 2j8i s ILE 81 CO 0.23 -0.43 1.31 0.18 -0.10 0.00 0.00 174.94 176.13 2j8i n LEU 82 N 4.83 3.20 -4.19 2.97 4.77 -1.26 -0.62 117.00 126.70 2j8i n LEU 82 Ca -0.10 -1.69 -0.59 0.00 -0.03 0.00 0.00 56.01 53.60 2j8i n LEU 82 Cb 0.43 -0.26 -0.11 0.00 -2.33 0.00 0.00 43.42 41.15 2j8i n LEU 82 CO 0.36 0.74 1.47 0.47 -1.33 0.00 0.00 177.39 179.10 2j8i n ASP 83 N 1.11 0.85 -0.35 -1.43 8.00 -1.26 -1.38 116.55 122.09 2j8i n ASP 83 Ca 0.16 0.80 -0.05 0.00 0.71 0.00 0.00 54.79 56.41 2j8i n ASP 83 Cb 0.51 -0.85 -0.02 0.00 -0.02 0.00 0.00 41.12 40.74 2j8i n ASP 83 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2j8i n ASN 84 N 6.09 -4.30 -4.78 -2.24 3.02 -1.26 -2.03 115.26 109.76 2j8i n ASN 84 Ca 0.45 0.11 -0.37 0.00 -0.03 0.00 0.00 54.58 54.75 2j8i n ASN 84 Cb -0.04 -2.20 -0.05 0.00 -0.61 0.00 0.00 39.78 36.88 2j8i n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j8i s ALA 85 N -1.92 3.11 -0.27 5.41 0.00 -0.48 -3.72 121.76 123.89 2j8i s ALA 85 Ca 0.00 0.67 -0.20 0.00 0.00 0.00 0.00 51.96 52.43 2j8i s ALA 85 Cb 0.00 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 2j8i s ALA 85 CO 0.00 -0.14 0.62 0.42 0.00 0.00 0.00 175.76 176.66 2j8i s ILE 86 N -1.66 4.97 -0.57 0.00 1.01 -0.70 -4.94 121.20 119.31 2j8i s ILE 86 Ca 0.56 1.01 0.11 0.00 0.00 0.00 0.00 60.65 62.33 2j8i s ILE 86 Cb -0.21 -3.95 0.31 0.00 0.01 0.00 0.00 42.46 38.61 2j8i s ILE 86 CO 0.27 -0.03 1.25 0.18 0.00 0.00 0.00 174.94 176.60 2j8i n LEU 87 N 5.77 2.97 -4.69 2.97 4.77 -1.26 -1.61 117.00 125.92 2j8i n LEU 87 Ca -0.01 -2.29 -0.42 0.00 -0.03 0.00 0.00 56.01 53.26 2j8i n LEU 87 Cb 0.49 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 2j8i n LEU 87 CO 0.44 0.68 1.40 -1.61 -1.33 0.00 0.00 177.39 176.98 2j8i s GLU 88 N -1.52 4.16 0.00 3.23 2.02 -1.26 -0.59 118.70 124.74 2j8i s GLU 88 Ca 0.24 2.50 0.00 0.00 0.02 0.00 0.00 54.97 57.74 2j8i s GLU 88 Cb 0.16 -3.52 0.00 0.00 0.10 0.00 0.00 34.13 30.87 2j8i s GLU 88 CO 0.11 -0.79 0.00 0.41 0.02 0.00 0.00 175.26 175.01 2j8i n GLY 89 N 4.11 0.82 3.78 -1.39 0.00 -1.26 -1.84 105.19 109.41 2j8i n GLY 89 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2j8i n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j8i s ALA 90 N -3.44 3.19 -0.43 4.61 0.00 0.24 -3.53 121.76 122.40 2j8i s ALA 90 Ca 0.00 0.53 -0.18 0.00 0.00 0.00 0.00 51.96 52.31 2j8i s ALA 90 Cb 0.00 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.95 2j8i s ALA 90 CO 0.00 0.14 0.50 0.42 0.00 0.00 0.00 175.76 176.82 2j8i s ILE 91 N -1.67 5.01 -2.95 0.00 1.01 0.21 -4.92 121.20 117.89 2j8i s ILE 91 Ca 0.52 -0.22 0.24 0.00 0.00 0.00 0.00 60.65 61.19 2j8i s ILE 91 Cb -0.18 -4.09 0.22 0.00 0.01 0.00 0.00 42.46 38.42 2j8i s ILE 91 CO 0.23 -0.48 1.29 0.18 0.00 0.00 0.00 174.94 176.17 2j8i n LEU 92 N 5.80 2.92 -4.64 2.97 4.77 -1.26 -0.82 117.00 126.73 2j8i n LEU 92 Ca -0.06 -0.98 -0.48 0.00 -0.03 0.00 0.00 56.01 54.46 2j8i n LEU 92 Cb 0.47 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 2j8i n LEU 92 CO 0.48 0.49 1.08 0.47 -1.33 0.00 0.00 177.39 178.58 2j8i n ASP 93 N 1.28 2.61 -0.16 -1.43 9.92 -1.26 -1.35 116.55 126.15 2j8i n ASP 93 Ca 0.14 1.10 -0.02 0.00 -0.53 0.00 0.00 54.79 55.48 2j8i n ASP 93 Cb 0.58 -1.36 -0.01 0.00 -0.64 0.00 0.00 41.12 39.70 2j8i n ASP 93 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2j8i n GLU 94 N 2.97 -1.90 -1.96 -1.24 1.02 -1.26 -1.68 120.64 116.60 2j8i n GLU 94 Ca 0.17 0.56 -0.40 0.00 -0.02 0.00 0.00 57.16 57.47 2j8i n GLU 94 Cb 0.26 -5.02 -0.01 0.00 -0.02 0.00 0.00 31.44 26.66 2j8i n GLU 94 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2j8i s ALA 95 N -1.20 3.43 -0.19 0.62 0.00 -0.46 -3.44 121.76 120.51 2j8i s ALA 95 Ca 0.00 1.38 -0.22 0.00 0.00 0.00 0.00 51.96 53.12 2j8i s ALA 95 Cb 0.00 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 2j8i s ALA 95 CO 0.00 -0.89 0.68 0.08 0.00 0.00 0.00 175.76 175.63 2j8i s VAL 96 N -1.17 4.98 0.20 0.00 1.01 0.10 -4.92 120.40 120.60 2j8i s VAL 96 Ca 0.54 1.30 0.10 0.00 0.00 0.00 0.00 61.98 63.91 2j8i s VAL 96 Cb -0.42 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2j8i s VAL 96 CO 0.56 0.08 -0.12 -0.76 0.00 0.00 0.00 175.10 174.86 2j8i s LEU 97 N 2.02 2.86 0.00 3.92 1.02 -1.26 -0.01 118.68 127.23 2j8i s LEU 97 Ca 0.31 -0.68 0.26 0.00 0.02 0.00 0.00 54.13 54.04 2j8i s LEU 97 Cb -0.16 -1.52 0.63 0.00 0.02 0.00 0.00 46.19 45.16 2j8i s LEU 97 CO 0.11 0.09 1.51 0.59 0.02 0.00 0.00 176.35 178.67