#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s04 s GLU 2 N 0.00 1.18 0.01 0.03 2.12 -1.26 -4.45 118.70 116.33 1s04 s GLU 2 Ca 0.00 -1.39 -0.00 0.00 0.36 0.00 0.00 54.97 53.93 1s04 s GLU 2 Cb 0.00 -1.08 -0.01 0.00 0.26 0.00 0.00 34.13 33.30 1s04 s GLU 2 CO 0.00 0.20 -0.01 -1.58 -0.54 0.00 0.00 175.26 173.33 1s04 s TRP 3 N -2.39 0.17 0.27 5.30 0.52 -0.89 -5.03 118.94 116.90 1s04 s TRP 3 Ca 0.15 -0.36 0.02 0.00 0.02 0.00 0.00 56.10 55.93 1s04 s TRP 3 Cb -0.04 -0.13 -0.05 0.00 -1.15 0.00 0.00 33.47 32.10 1s04 s TRP 3 CO 0.05 -0.14 0.07 -2.00 0.02 0.00 0.00 176.95 174.96 1s04 s GLU 4 N -1.03 1.47 0.32 4.98 2.12 -1.26 0.21 118.70 125.51 1s04 s GLU 4 Ca -0.11 -1.79 -0.09 0.00 0.36 0.00 0.00 54.97 53.33 1s04 s GLU 4 Cb -0.07 -0.47 0.01 0.00 0.26 0.00 0.00 34.13 33.86 1s04 s GLU 4 CO -0.01 -0.24 0.55 -1.64 -0.54 0.00 0.00 175.26 173.38 1s04 s MET 5 N -3.98 1.86 -0.02 4.30 -1.94 0.54 -4.77 119.30 115.29 1s04 s MET 5 Ca 0.36 -1.50 -0.00 0.00 -1.71 0.00 0.00 55.69 52.84 1s04 s MET 5 Cb 0.08 0.50 0.03 0.00 2.01 0.00 0.00 34.83 37.45 1s04 s MET 5 CO 0.14 -0.80 0.04 0.20 -0.01 0.00 0.00 175.02 174.58 1s04 s GLY 6 N -3.12 0.12 0.28 -0.03 0.00 -1.26 -0.53 107.32 102.78 1s04 s GLY 6 Ca 0.24 0.30 -0.19 0.00 0.00 0.00 0.00 44.72 45.06 1s04 s GLY 6 CO 0.14 0.81 0.91 0.48 0.00 0.00 0.00 173.10 175.44 1s04 s LEU 7 N 1.25 -0.02 0.83 0.66 2.34 -1.26 -4.92 118.68 117.58 1s04 s LEU 7 Ca -0.07 -0.87 -0.12 0.00 0.06 0.00 0.00 54.13 53.13 1s04 s LEU 7 Cb -0.13 2.47 0.09 0.00 -0.56 0.00 0.00 46.19 48.06 1s04 s LEU 7 CO -0.03 -1.32 1.11 -1.10 -1.06 0.00 0.00 176.35 173.95 1s04 s GLN 8 N -2.37 1.78 0.10 1.48 1.11 -1.26 -4.76 119.66 115.74 1s04 s GLN 8 Ca 0.18 0.50 -0.13 0.00 0.01 0.00 0.00 55.36 55.91 1s04 s GLN 8 Cb -0.04 -1.89 -0.15 0.00 -1.01 0.00 0.00 33.01 29.92 1s04 s GLN 8 CO 0.08 -1.80 1.32 1.49 0.01 0.00 0.00 175.29 176.38 1s04 h GLU 9 N -1.22 0.79 -0.57 2.91 4.81 -2.02 -2.56 114.58 116.72 1s04 h GLU 9 Ca -0.48 -0.61 0.02 0.00 -0.13 0.00 0.00 59.36 58.16 1s04 h GLU 9 Cb 1.29 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.76 1s04 h GLU 9 CO 0.61 1.23 0.38 1.49 -0.73 0.00 0.00 179.01 181.98 1s04 h GLU 10 N 0.53 0.69 0.00 1.92 4.81 -2.01 -0.46 114.58 120.05 1s04 h GLU 10 Ca -0.04 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.04 1s04 h GLU 10 Cb 1.33 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1s04 h GLU 10 CO 0.15 0.46 -0.54 0.35 -0.73 0.00 0.00 179.01 178.70 1s04 h PHE 11 N 0.71 0.00 -0.53 0.92 3.57 -1.93 -3.14 116.94 116.54 1s04 h PHE 11 Ca 0.22 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1s04 h PHE 11 Cb 0.02 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1s04 h PHE 11 CO -0.00 0.54 0.23 -0.07 -2.23 0.00 0.00 178.31 176.78 1s04 h LEU 12 N 0.00 0.72 -1.41 0.59 3.38 -0.67 -2.10 115.31 115.83 1s04 h LEU 12 Ca -0.01 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 57.89 1s04 h LEU 12 Cb 1.16 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 1s04 h LEU 12 CO 0.07 0.67 0.47 1.05 0.09 0.00 0.00 178.44 180.79 1s04 h GLU 13 N 0.72 0.68 -0.53 1.13 4.11 -1.43 -0.92 114.58 118.35 1s04 h GLU 13 Ca 0.18 -0.04 0.06 0.00 0.07 0.00 0.00 59.36 59.63 1s04 h GLU 13 Cb 0.16 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.20 1s04 h GLU 13 CO -0.02 0.45 0.22 -0.07 0.07 0.00 0.00 179.01 179.66 1s04 h LEU 14 N 0.70 0.27 -0.68 3.06 3.38 -1.42 -0.60 115.31 120.02 1s04 h LEU 14 Ca 0.32 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.37 1s04 h LEU 14 Cb 0.33 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1s04 h LEU 14 CO -0.11 0.18 0.43 0.40 0.09 0.00 0.00 178.44 179.43 1s04 h ILE 15 N 0.43 1.09 -0.42 1.22 5.03 -1.07 0.39 117.51 124.17 1s04 h ILE 15 Ca 0.25 -0.29 0.10 0.00 -0.12 0.00 0.00 64.86 64.80 1s04 h ILE 15 Cb 0.23 0.18 -0.02 0.00 -3.03 0.00 0.00 36.82 34.19 1s04 h ILE 15 CO -0.22 0.15 0.29 0.11 -0.68 0.00 0.00 178.15 177.80 1s04 h LYS 16 N 0.83 0.11 0.00 2.37 1.57 -0.75 0.40 116.57 121.11 1s04 h LYS 16 Ca 0.27 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.95 1s04 h LYS 16 Cb 0.02 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1s04 h LYS 16 CO -0.11 0.07 -0.90 -0.07 -0.57 0.00 0.00 179.45 177.88 1s04 h LEU 17 N 0.12 0.00 0.00 2.94 3.38 0.13 -3.21 115.31 118.66 1s04 h LEU 17 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1s04 h LEU 17 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1s04 h LEU 17 CO -0.02 0.39 0.00 0.54 0.09 0.00 0.00 178.44 179.44 1s04 n ARG 18 N -2.98 0.75 0.17 1.13 1.74 0.14 -2.66 116.66 114.94 1s04 n ARG 18 Ca -0.03 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.08 1s04 n ARG 18 Cb 0.72 -1.43 0.26 0.00 -1.02 0.00 0.00 32.46 30.99 1s04 n ARG 18 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1s04 h LYS 19 N 0.00 0.00 -0.01 5.56 5.09 -1.44 -2.89 116.57 122.87 1s04 h LYS 19 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1s04 h LYS 19 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1s04 h LYS 19 CO 0.00 0.48 -0.08 1.63 -2.09 0.00 0.00 179.45 179.39 1s04 n LYS 20 N -3.64 1.11 0.00 0.07 5.02 -1.09 -4.93 118.16 114.70 1s04 n LYS 20 Ca -0.01 -1.05 0.00 0.00 -2.02 0.00 0.00 58.31 55.24 1s04 n LYS 20 Cb 0.56 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 1s04 n LYS 20 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1s04 n LYS 21 N 0.40 0.00 -3.89 1.97 5.02 -1.10 -5.09 118.16 115.47 1s04 n LYS 21 Ca 0.06 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.33 1s04 n LYS 21 Cb 0.29 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.31 1s04 n LYS 21 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1s04 s ILE 22 N 2.60 0.00 -0.08 -0.18 -1.09 0.30 -4.96 121.20 117.79 1s04 s ILE 22 Ca 0.00 -0.56 -0.04 0.00 -2.23 0.00 0.00 60.65 57.82 1s04 s ILE 22 Cb 0.00 -2.89 0.04 0.00 -1.58 0.00 0.00 42.46 38.03 1s04 s ILE 22 CO 0.00 0.00 0.19 -1.83 -1.23 0.00 0.00 174.94 172.07 1s04 s GLU 23 N -2.16 0.13 0.25 2.79 -1.05 -1.25 -3.98 118.70 113.42 1s04 s GLU 23 Ca 0.22 0.45 0.04 0.00 -0.15 0.00 0.00 54.97 55.53 1s04 s GLU 23 Cb -0.03 -0.16 -0.03 0.00 -0.44 0.00 0.00 34.13 33.47 1s04 s GLU 23 CO 0.05 -0.18 0.38 0.20 0.95 0.00 0.00 175.26 176.67 1s04 s GLY 24 N 1.29 1.29 0.00 -3.83 0.00 -1.26 -2.71 107.32 102.10 1s04 s GLY 24 Ca -0.08 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.48 1s04 s GLY 24 CO -0.07 -1.16 0.00 -0.96 0.00 0.00 0.00 173.10 170.91 1s04 n ARG 25 N -1.37 0.00 -1.32 2.90 1.85 -1.25 -4.99 116.66 112.48 1s04 n ARG 25 Ca -0.08 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.34 1s04 n ARG 25 Cb 0.57 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.96 1s04 n ARG 25 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1s04 n LEU 26 N 0.00 -2.40 -4.70 2.89 7.94 -1.26 -3.55 117.00 115.92 1s04 n LEU 26 Ca 0.00 0.90 -0.42 0.00 -1.11 0.00 0.00 56.01 55.37 1s04 n LEU 26 Cb 0.00 -0.90 -0.03 0.00 0.53 0.00 0.00 43.42 43.03 1s04 n LEU 26 CO 0.00 -3.83 0.91 -0.47 -1.11 0.00 0.00 177.39 172.89 1s04 s TYR 27 N -1.48 3.31 0.53 1.96 6.14 -1.26 -4.80 117.35 121.75 1s04 s TYR 27 Ca 0.60 1.27 0.02 0.00 0.64 0.00 0.00 57.07 59.61 1s04 s TYR 27 Cb -0.72 -3.40 0.01 0.00 0.42 0.00 0.00 41.96 38.27 1s04 s TYR 27 CO 0.60 -1.23 0.13 -0.51 0.64 0.00 0.00 175.55 175.19 1s04 s ASP 28 N 1.30 4.30 0.23 4.32 1.01 -1.26 -4.95 116.67 121.62 1s04 s ASP 28 Ca 0.57 -1.54 0.00 0.00 0.71 0.00 0.00 52.55 52.29 1s04 s ASP 28 Cb -0.26 0.55 0.23 0.00 1.01 0.00 0.00 42.92 44.44 1s04 s ASP 28 CO 0.25 -0.96 1.58 -0.33 0.21 0.00 0.00 175.17 175.91 1s04 h GLU 29 N 1.13 0.45 -0.45 8.23 4.39 -2.00 -2.72 114.58 123.61 1s04 h GLU 29 Ca -0.42 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.00 1s04 h GLU 29 Cb 1.32 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.96 1s04 h GLU 29 CO 0.68 0.84 0.16 0.87 -1.16 0.00 0.00 179.01 180.40 1s04 h LYS 30 N 0.36 0.68 -0.84 2.33 1.57 -2.00 -2.59 116.57 116.08 1s04 h LYS 30 Ca 0.02 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1s04 h LYS 30 Cb 0.98 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.14 1s04 h LYS 30 CO 0.09 0.64 0.53 0.00 -0.57 0.00 0.00 179.45 180.14 1s04 h ARG 31 N 0.58 0.98 -1.00 3.15 2.47 -1.89 -1.06 114.38 117.60 1s04 h ARG 31 Ca 0.15 -0.06 0.20 0.00 -1.26 0.00 0.00 59.98 59.01 1s04 h ARG 31 Cb 0.23 -0.22 -0.11 0.00 -1.65 0.00 0.00 29.97 28.22 1s04 h ARG 31 CO -0.01 0.65 0.61 0.00 0.56 0.00 0.00 179.97 181.78 1s04 h ARG 32 N 1.01 0.70 0.00 0.04 3.08 -1.15 0.50 114.38 118.55 1s04 h ARG 32 Ca 0.35 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 60.20 1s04 h ARG 32 Cb 0.07 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1s04 h ARG 32 CO -0.14 0.46 -0.72 1.96 -1.07 0.00 0.00 179.97 180.46 1s04 h GLN 33 N 0.72 0.00 -7.09 0.04 4.20 -1.13 -3.44 115.11 108.40 1s04 h GLN 33 Ca 0.59 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.79 1s04 h GLN 33 Cb 0.97 0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.83 1s04 h GLN 33 CO -0.39 0.72 0.43 0.42 -0.67 0.00 0.00 178.83 179.35 1s04 s ILE 34 N -3.27 3.13 0.13 2.54 1.01 0.17 -5.05 121.20 119.86 1s04 s ILE 34 Ca -0.00 0.69 -0.08 0.00 0.00 0.00 0.00 60.65 61.26 1s04 s ILE 34 Cb 0.11 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 1s04 s ILE 34 CO 0.77 -0.16 0.21 -1.59 0.00 0.00 0.00 174.94 174.18 1s04 s LYS 35 N -3.33 0.99 -0.81 2.79 0.00 -1.26 -4.94 119.74 113.19 1s04 s LYS 35 Ca 0.73 -1.13 -0.25 0.00 0.00 0.00 0.00 55.97 55.32 1s04 s LYS 35 Cb -0.24 0.34 0.00 0.00 0.00 0.00 0.00 37.83 37.93 1s04 s LYS 35 CO 0.28 -0.34 1.63 -1.25 0.00 0.00 0.00 175.35 175.67 1s04 s PRO 36 N -3.94 2.99 0.00 1.78 0.04 -1.26 -3.00 135.00 131.61 1s04 s PRO 36 Ca 0.13 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 60.94 1s04 s PRO 36 Cb 0.05 -4.71 0.00 0.00 0.04 0.00 0.00 34.50 29.88 1s04 s PRO 36 CO -0.04 -2.60 0.00 0.41 0.04 0.00 0.00 177.00 174.81 1s04 n GLY 37 N 6.15 0.40 0.89 0.56 0.00 -1.07 -4.83 105.19 107.28 1s04 n GLY 37 Ca 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.18 1s04 n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s04 n ASP 38 N 0.00 -0.55 -3.96 1.61 8.00 -1.16 -4.83 116.55 115.66 1s04 n ASP 38 Ca 0.00 -0.91 -0.16 0.00 0.71 0.00 0.00 54.79 54.43 1s04 n ASP 38 Cb 0.00 -0.24 -0.14 0.00 -0.02 0.00 0.00 41.12 40.71 1s04 n ASP 38 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s04 s VAL 39 N -1.60 0.42 -0.23 2.53 1.01 -1.26 -2.97 120.40 118.31 1s04 s VAL 39 Ca 0.18 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 1s04 s VAL 39 Cb -0.01 -0.36 0.03 0.00 0.00 0.00 0.00 36.38 36.04 1s04 s VAL 39 CO 0.13 0.12 -0.11 -0.63 0.00 0.00 0.00 175.10 174.61 1s04 s ILE 40 N -0.13 2.60 0.27 2.22 1.01 0.14 -2.10 121.20 125.21 1s04 s ILE 40 Ca 0.02 -1.03 -0.20 0.00 0.00 0.00 0.00 60.65 59.44 1s04 s ILE 40 Cb -0.02 -2.27 -0.09 0.00 0.01 0.00 0.00 42.46 40.09 1s04 s ILE 40 CO -0.00 0.29 0.78 -0.55 0.00 0.00 0.00 174.94 175.46 1s04 s SER 41 N 1.30 7.06 -0.07 3.58 0.15 0.55 -2.07 113.70 124.21 1s04 s SER 41 Ca 0.01 1.49 0.03 0.00 0.70 0.00 0.00 55.95 58.18 1s04 s SER 41 Cb -0.16 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1s04 s SER 41 CO -0.07 -0.05 -0.17 -0.36 1.20 0.00 0.00 173.24 173.79 1s04 s PHE 42 N -1.65 1.88 -1.34 3.44 0.40 0.51 0.20 117.98 121.42 1s04 s PHE 42 Ca 0.47 -0.69 -0.07 0.00 -0.60 0.00 0.00 56.93 56.05 1s04 s PHE 42 Cb -0.16 -1.30 0.02 0.00 0.51 0.00 0.00 43.02 42.09 1s04 s PHE 42 CO 0.20 -0.29 1.07 0.39 0.70 0.00 0.00 175.22 177.30 1s04 n GLU 43 N 3.54 -7.07 0.00 0.44 -0.58 0.31 -1.12 120.64 116.16 1s04 n GLU 43 Ca -0.20 0.79 0.00 0.00 -0.42 0.00 0.00 57.16 57.32 1s04 n GLU 43 Cb 0.52 -5.78 0.00 0.00 -0.57 0.00 0.00 31.44 25.62 1s04 n GLU 43 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s04 n GLY 44 N -1.71 2.03 0.52 0.62 0.00 -1.25 -3.56 105.19 101.85 1s04 n GLY 44 Ca -0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 46.02 45.63 1s04 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s04 n GLY 45 N 0.00 -0.19 0.17 -0.02 0.00 -1.13 -4.90 105.19 99.12 1s04 n GLY 45 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1s04 n GLY 45 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1s04 h LYS 46 N 0.00 0.60 -3.87 1.61 3.11 -1.17 -3.43 116.57 113.41 1s04 h LYS 46 Ca -0.10 -0.80 -0.50 0.00 -2.81 0.00 0.00 60.65 56.44 1s04 h LYS 46 Cb 0.62 0.26 -0.38 0.00 -1.00 0.00 0.00 32.23 31.73 1s04 h LYS 46 CO -0.05 1.36 -0.78 -1.17 -2.81 0.00 0.00 179.45 176.00 1s04 s LEU 47 N -7.83 1.10 -0.10 5.20 1.98 -1.00 -5.00 118.68 113.03 1s04 s LEU 47 Ca -0.09 -0.45 -0.03 0.00 -2.89 0.00 0.00 54.13 50.68 1s04 s LEU 47 Cb 0.06 -0.67 -0.03 0.00 0.66 0.00 0.00 46.19 46.21 1s04 s LEU 47 CO 0.93 -0.21 0.01 -0.54 -1.89 0.00 0.00 176.35 174.65 1s04 s LYS 48 N 1.81 3.11 0.07 1.98 -0.14 -1.26 -0.36 119.74 124.95 1s04 s LYS 48 Ca 0.02 -0.40 -0.01 0.00 -1.36 0.00 0.00 55.97 54.23 1s04 s LYS 48 Cb -0.14 -2.85 -0.04 0.00 -1.68 0.00 0.00 37.83 33.12 1s04 s LYS 48 CO -0.07 0.65 -0.01 0.14 -0.76 0.00 0.00 175.35 175.30 1s04 s VAL 49 N -0.72 0.20 -0.08 3.17 -7.23 -0.88 -2.19 120.40 112.67 1s04 s VAL 49 Ca 0.11 -1.84 -0.02 0.00 -1.81 0.00 0.00 61.98 58.43 1s04 s VAL 49 Cb -0.12 -1.65 0.03 0.00 0.56 0.00 0.00 36.38 35.21 1s04 s VAL 49 CO 0.02 -0.87 0.03 -0.60 -0.31 0.00 0.00 175.10 173.37 1s04 s ARG 50 N -3.95 0.37 0.42 4.82 3.52 -0.67 0.26 118.95 123.72 1s04 s ARG 50 Ca 0.11 0.11 -0.23 0.00 -0.13 0.00 0.00 55.73 55.60 1s04 s ARG 50 Cb 0.08 -1.04 -0.12 0.00 -1.56 0.00 0.00 34.95 32.32 1s04 s ARG 50 CO -0.07 -0.38 0.70 0.28 -0.81 0.00 0.00 175.30 175.02 1s04 n VAL 51 N 5.19 2.06 -0.05 7.11 0.31 -1.16 -1.93 118.33 129.87 1s04 n VAL 51 Ca -0.06 -0.50 -0.07 0.00 -0.01 0.00 0.00 64.34 63.70 1s04 n VAL 51 Cb 0.50 -0.74 -0.04 0.00 -0.91 0.00 0.00 33.84 32.65 1s04 n VAL 51 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1s04 n LYS 52 N 0.39 0.22 -3.54 5.55 4.76 0.40 -2.61 118.16 123.33 1s04 n LYS 52 Ca 0.11 0.06 -0.09 0.00 -2.87 0.00 0.00 58.31 55.52 1s04 n LYS 52 Cb 0.39 -1.12 -0.03 0.00 -1.84 0.00 0.00 35.03 32.43 1s04 n LYS 52 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1s04 s ALA 53 N -2.18 -1.89 -0.00 7.82 0.00 -1.17 -4.72 121.76 119.62 1s04 s ALA 53 Ca -0.12 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.15 1s04 s ALA 53 Cb 0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1s04 s ALA 53 CO 0.20 -0.52 -0.01 -1.50 0.00 0.00 0.00 175.76 173.93 1s04 s ILE 54 N -2.20 4.08 -0.02 0.00 2.07 -1.26 -0.95 121.20 122.92 1s04 s ILE 54 Ca 0.02 -0.62 -0.07 0.00 -1.41 0.00 0.00 60.65 58.56 1s04 s ILE 54 Cb -0.01 -2.82 0.01 0.00 0.13 0.00 0.00 42.46 39.77 1s04 s ILE 54 CO -0.04 0.38 0.16 -0.13 -1.91 0.00 0.00 174.94 173.40 1s04 s ARG 55 N -1.53 0.42 0.06 3.50 1.81 -1.14 -4.98 118.95 117.08 1s04 s ARG 55 Ca 0.19 -0.20 0.08 0.00 -1.72 0.00 0.00 55.73 54.09 1s04 s ARG 55 Cb -0.11 0.18 -0.03 0.00 -0.45 0.00 0.00 34.95 34.53 1s04 s ARG 55 CO 0.10 -0.09 -0.23 0.08 -0.68 0.00 0.00 175.30 174.47 1s04 s VAL 56 N -0.95 1.89 0.41 3.52 1.01 -1.26 -0.57 120.40 124.45 1s04 s VAL 56 Ca -0.10 -1.35 0.05 0.00 0.00 0.00 0.00 61.98 60.57 1s04 s VAL 56 Cb -0.06 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 1s04 s VAL 56 CO 0.01 0.22 0.18 -0.31 0.00 0.00 0.00 175.10 175.20 1s04 s TYR 57 N -0.86 1.78 -0.04 5.22 1.51 0.29 -4.91 117.35 120.34 1s04 s TYR 57 Ca 0.09 -1.42 -0.23 0.00 -1.01 0.00 0.00 57.07 54.50 1s04 s TYR 57 Cb -0.09 -1.05 -0.24 0.00 -0.11 0.00 0.00 41.96 40.46 1s04 s TYR 57 CO 0.03 -0.47 1.02 -0.91 -1.11 0.00 0.00 175.55 174.10 1s04 h ASN 58 N 1.81 0.33 -2.18 2.29 2.35 -1.95 -3.30 115.58 114.92 1s04 h ASN 58 Ca -0.32 -0.80 -0.03 0.00 -0.55 0.00 0.00 56.30 54.60 1s04 h ASN 58 Cb 1.27 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.54 1s04 h ASN 58 CO 0.50 1.09 0.14 -1.20 -1.65 0.00 0.00 177.43 176.31 1s04 n SER 59 N -4.38 -1.27 -0.11 5.81 7.64 -1.26 -4.44 113.62 115.62 1s04 n SER 59 Ca -0.10 -1.92 -0.14 0.00 1.01 0.00 0.00 58.87 57.72 1s04 n SER 59 Cb 0.59 2.12 -0.03 0.00 -1.01 0.00 0.00 64.21 65.88 1s04 n SER 59 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1s04 h PHE 60 N 1.56 1.12 -0.59 1.43 0.04 -1.94 -2.14 116.94 116.41 1s04 h PHE 60 Ca -0.19 -0.35 0.07 0.00 2.80 0.00 0.00 57.97 60.30 1s04 h PHE 60 Cb 0.70 -0.23 -0.06 0.00 2.20 0.00 0.00 35.95 38.56 1s04 h PHE 60 CO 0.00 1.18 0.27 -0.09 -0.60 0.00 0.00 178.31 179.08 1s04 h ARG 61 N 0.73 0.49 -0.50 1.51 9.65 -1.97 0.37 114.38 124.66 1s04 h ARG 61 Ca 0.05 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.81 1s04 h ARG 61 Cb 1.03 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.48 1s04 h ARG 61 CO 0.10 0.32 -0.04 0.93 2.80 0.00 0.00 179.97 184.08 1s04 h GLU 62 N 0.50 0.92 0.09 0.20 3.07 -1.95 0.87 114.58 118.28 1s04 h GLU 62 Ca 0.28 -0.32 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1s04 h GLU 62 Cb 0.26 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1s04 h GLU 62 CO -0.23 0.97 -0.04 0.52 -1.40 0.00 0.00 179.01 178.83 1s04 h MET 63 N 0.78 -0.11 -0.05 2.33 2.86 -0.60 1.37 114.93 121.50 1s04 h MET 63 Ca 0.14 0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 1s04 h MET 63 Cb 0.58 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 1s04 h MET 63 CO 0.03 -0.01 -0.24 -0.07 1.06 0.00 0.00 176.91 177.68 1s04 h LEU 64 N -0.18 0.08 -0.04 1.22 3.38 -0.25 1.66 115.31 121.18 1s04 h LEU 64 Ca -0.01 -0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.68 1s04 h LEU 64 Cb 0.15 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 40.89 1s04 h LEU 64 CO 0.02 0.32 -1.05 -0.33 0.09 0.00 0.00 178.44 177.49 1s04 h GLU 65 N 0.08 0.56 0.00 1.13 5.08 -0.26 0.11 114.58 121.29 1s04 h GLU 65 Ca 0.01 -0.65 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 1s04 h GLU 65 Cb 0.47 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1s04 h GLU 65 CO 0.03 1.25 -0.05 -0.22 -1.00 0.00 0.00 179.01 179.03 1s04 h LYS 66 N 0.30 0.00 0.44 2.33 1.63 0.23 -3.40 116.57 118.10 1s04 h LYS 66 Ca -0.12 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.66 1s04 h LYS 66 Cb 1.71 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.34 1s04 h LYS 66 CO 0.20 0.00 -0.21 0.93 -3.45 0.00 0.00 179.45 176.91 1s04 h GLU 67 N -0.27 -0.57 0.00 1.90 4.39 0.23 -3.49 114.58 116.76 1s04 h GLU 67 Ca 0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1s04 h GLU 67 Cb 0.05 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1s04 h GLU 67 CO 0.00 -0.34 0.00 0.41 -1.16 0.00 0.00 179.01 177.92 1s04 n GLY 68 N -1.15 3.95 0.41 -3.84 0.00 -0.23 -4.72 105.19 99.61 1s04 n GLY 68 Ca -0.11 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 1s04 n GLY 68 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s04 h LEU 69 N 0.00 -1.32 -0.42 0.99 5.85 -1.14 0.27 115.31 119.54 1s04 h LEU 69 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1s04 h LEU 69 Cb 0.00 0.48 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1s04 h LEU 69 CO 0.00 -0.49 0.00 -0.62 -0.34 0.00 0.00 178.44 176.99 1s04 n GLU 70 N -5.01 0.10 -0.24 1.25 1.02 -1.26 0.14 120.64 116.64 1s04 n GLU 70 Ca -0.08 0.37 0.10 0.00 -0.02 0.00 0.00 57.16 57.53 1s04 n GLU 70 Cb 0.36 -1.70 0.26 0.00 -0.02 0.00 0.00 31.44 30.33 1s04 n GLU 70 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1s04 n ASN 71 N -1.89 2.87 0.00 1.62 3.02 0.49 -4.20 115.26 117.16 1s04 n ASN 71 Ca 0.02 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.61 1s04 n ASN 71 Cb 0.18 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 1s04 n ASN 71 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1s04 n VAL 72 N 1.07 0.00 -3.84 2.41 0.31 0.66 0.11 118.33 119.05 1s04 n VAL 72 Ca 0.18 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.21 1s04 n VAL 72 Cb 0.47 -0.58 -0.14 0.00 -0.91 0.00 0.00 33.84 32.67 1s04 n VAL 72 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1s04 s LEU 73 N -5.01 3.42 0.01 7.52 2.96 0.38 -4.38 118.68 123.59 1s04 s LEU 73 Ca 0.00 -2.35 -0.30 0.00 -0.22 0.00 0.00 54.13 51.26 1s04 s LEU 73 Cb 0.00 -1.26 -0.04 0.00 0.50 0.00 0.00 46.19 45.38 1s04 s LEU 73 CO 0.00 -0.32 1.19 -2.16 -1.32 0.00 0.00 176.35 173.74 1s04 s PRO 74 N 0.66 4.40 0.00 0.98 0.04 -1.26 -3.04 135.00 136.79 1s04 s PRO 74 Ca 0.14 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1s04 s PRO 74 Cb -0.22 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 30.88 1s04 s PRO 74 CO -0.08 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.04 1s04 n GLY 75 N 3.27 1.86 2.92 0.56 0.00 -1.26 -5.07 105.19 107.48 1s04 n GLY 75 Ca 0.10 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1s04 n GLY 75 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1s04 n VAL 76 N 0.00 0.00 0.04 1.61 3.14 -1.17 -4.88 118.33 117.08 1s04 n VAL 76 Ca 0.00 -0.46 -0.16 0.00 -2.96 0.00 0.00 64.34 60.76 1s04 n VAL 76 Cb 0.00 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 32.64 1s04 n VAL 76 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 1s04 h LYS 77 N -0.20 0.22 -2.12 1.45 1.57 -1.92 -3.49 116.57 112.08 1s04 h LYS 77 Ca -0.38 -0.38 0.21 0.00 -1.87 0.00 0.00 60.65 58.23 1s04 h LYS 77 Cb 1.30 0.14 -0.10 0.00 0.08 0.00 0.00 32.23 33.65 1s04 h LYS 77 CO 0.35 1.05 0.57 -1.12 -0.57 0.00 0.00 179.45 179.73 1s04 s SER 78 N -6.88 -0.17 0.27 0.86 0.01 -1.26 -4.97 113.70 101.56 1s04 s SER 78 Ca -0.11 -0.30 -0.01 0.00 1.31 0.00 0.00 55.95 56.85 1s04 s SER 78 Cb 0.07 0.40 0.47 0.00 0.21 0.00 0.00 66.02 67.17 1s04 s SER 78 CO 0.84 -0.73 1.85 0.40 0.41 0.00 0.00 173.24 176.01 1s04 h ILE 79 N 2.00 0.98 -0.18 1.44 2.04 -1.99 0.35 117.51 122.15 1s04 h ILE 79 Ca -0.25 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 1s04 h ILE 79 Cb 1.22 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1s04 h ILE 79 CO 0.27 0.19 0.05 -0.33 0.00 0.00 0.00 178.15 178.33 1s04 h GLU 80 N 1.04 0.29 -0.88 2.37 5.08 -2.01 -2.76 114.58 117.71 1s04 h GLU 80 Ca 0.46 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 1s04 h GLU 80 Cb 0.35 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1s04 h GLU 80 CO -0.23 0.41 0.50 0.93 -1.00 0.00 0.00 179.01 179.62 1s04 h GLU 81 N 0.11 1.22 -0.70 2.33 4.39 -1.65 -2.40 114.58 117.88 1s04 h GLU 81 Ca 0.06 -0.13 0.12 0.00 0.34 0.00 0.00 59.36 59.74 1s04 h GLU 81 Cb 0.24 -0.24 -0.08 0.00 -0.10 0.00 0.00 28.75 28.57 1s04 h GLU 81 CO -0.00 0.88 0.29 0.78 -1.16 0.00 0.00 179.01 179.80 1s04 h GLY 82 N 1.24 1.04 1.01 -3.84 0.00 -0.11 0.34 103.07 102.74 1s04 h GLY 82 Ca 0.31 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1s04 h GLY 82 CO -0.05 -0.04 0.47 -2.22 0.00 0.00 0.00 176.54 174.70 1s04 h ILE 83 N 0.47 1.22 -0.85 2.60 2.04 -1.16 -1.44 117.51 120.38 1s04 h ILE 83 Ca 0.37 -0.47 0.12 0.00 1.00 0.00 0.00 64.86 65.88 1s04 h ILE 83 Cb 0.50 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 1s04 h ILE 83 CO -0.35 0.22 0.55 1.56 0.00 0.00 0.00 178.15 180.14 1s04 h GLN 84 N 1.05 0.69 -0.14 2.37 7.50 -0.72 0.40 115.11 126.28 1s04 h GLN 84 Ca 0.28 -0.04 -0.02 0.00 0.50 0.00 0.00 58.65 59.37 1s04 h GLN 84 Cb -0.05 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.32 1s04 h GLN 84 CO -0.05 0.46 0.02 0.28 -1.50 0.00 0.00 178.83 178.04 1s04 h VAL 85 N 0.72 1.22 0.00 -0.54 2.07 -0.50 -0.80 116.25 118.42 1s04 h VAL 85 Ca 0.41 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1s04 h VAL 85 Cb 0.58 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1s04 h VAL 85 CO -0.17 0.21 -0.08 1.88 0.02 0.00 0.00 177.57 179.42 1s04 h TYR 86 N 0.00 0.00 -0.01 1.57 0.05 -0.67 -0.27 116.97 117.64 1s04 h TYR 86 Ca 0.04 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 1s04 h TYR 86 Cb 0.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.04 1s04 h TYR 86 CO 0.02 0.08 -0.22 -0.09 -1.05 0.00 0.00 178.16 176.90 1s04 h ARG 87 N 0.00 0.17 -0.21 4.88 1.12 0.23 0.38 114.38 120.95 1s04 h ARG 87 Ca -0.00 -0.17 -0.13 0.00 -1.11 0.00 0.00 59.98 58.57 1s04 h ARG 87 Cb 0.45 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.44 1s04 h ARG 87 CO 0.01 0.88 -0.42 0.07 -3.11 0.00 0.00 179.97 177.40 1s04 h ARG 88 N -0.47 0.51 0.11 0.20 0.11 -0.95 -3.29 114.38 110.60 1s04 h ARG 88 Ca -0.02 -0.26 -0.01 0.00 0.10 0.00 0.00 59.98 59.79 1s04 h ARG 88 Cb 0.95 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.03 1s04 h ARG 88 CO 0.04 0.84 -0.05 0.74 0.10 0.00 0.00 179.97 181.64 1s04 h PHE 89 N 0.42 -0.14 -3.05 4.08 -1.00 -1.11 -3.46 116.94 112.68 1s04 h PHE 89 Ca 0.03 -0.00 -0.62 0.00 2.81 0.00 0.00 57.97 60.19 1s04 h PHE 89 Cb 0.91 0.05 -0.12 0.00 3.61 0.00 0.00 35.95 40.40 1s04 h PHE 89 CO 0.03 0.27 -0.67 0.71 -1.61 0.00 0.00 178.31 177.04 1s04 s TYR 90 N -2.67 2.84 0.48 -0.55 2.02 0.13 -5.07 117.35 114.53 1s04 s TYR 90 Ca -0.10 -0.13 -0.21 0.00 -0.37 0.00 0.00 57.07 56.26 1s04 s TYR 90 Cb -0.00 -1.40 -0.07 0.00 -0.40 0.00 0.00 41.96 40.08 1s04 s TYR 90 CO 0.37 0.50 1.11 -0.51 -1.57 0.00 0.00 175.55 175.45 1s04 s ASP 91 N -2.74 6.15 0.12 2.29 1.01 -1.26 -3.94 116.67 118.30 1s04 s ASP 91 Ca 0.26 2.15 -0.08 0.00 0.71 0.00 0.00 52.55 55.59 1s04 s ASP 91 Cb -0.10 -2.58 -0.11 0.00 1.01 0.00 0.00 42.92 41.13 1s04 s ASP 91 CO 0.18 -0.92 1.30 -0.08 0.21 0.00 0.00 175.17 175.85 1s04 h GLU 92 N 1.75 0.55 0.42 8.23 4.22 -1.89 -2.20 114.58 125.66 1s04 h GLU 92 Ca -0.49 -0.54 -0.02 0.00 0.08 0.00 0.00 59.36 58.39 1s04 h GLU 92 Cb 1.24 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1s04 h GLU 92 CO 0.59 1.17 -0.20 1.49 -2.18 0.00 0.00 179.01 179.87 1s04 h GLU 93 N 0.33 -0.55 -0.63 1.92 4.81 -1.97 0.54 114.58 119.03 1s04 h GLU 93 Ca -0.08 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1s04 h GLU 93 Cb 1.54 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 31.01 1s04 h GLU 93 CO 0.17 -0.35 0.41 0.87 -0.73 0.00 0.00 179.01 179.38 1s04 h LYS 94 N -0.60 0.82 0.31 1.92 1.79 -1.97 0.28 116.57 119.12 1s04 h LYS 94 Ca -0.06 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 1s04 h LYS 94 Cb 0.45 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1s04 h LYS 94 CO 0.10 0.55 -0.15 1.49 -1.08 0.00 0.00 179.45 180.36 1s04 h GLU 95 N 0.85 -0.39 0.00 3.15 4.57 -0.91 -2.13 114.58 119.72 1s04 h GLU 95 Ca 0.23 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 1s04 h GLU 95 Cb -0.10 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1s04 h GLU 95 CO -0.05 -0.11 0.00 1.57 -1.18 0.00 0.00 179.01 179.24 1s04 h LYS 96 N -0.67 0.00 0.43 1.92 2.10 0.45 1.52 116.57 122.32 1s04 h LYS 96 Ca -0.04 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.59 1s04 h LYS 96 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1s04 h LYS 96 CO 0.07 0.00 -0.21 0.87 -2.00 0.00 0.00 179.45 178.18 1s04 h LYS 97 N 0.00 -0.55 0.00 0.07 1.57 0.10 -3.41 116.57 114.34 1s04 h LYS 97 Ca 0.00 0.04 -0.29 0.00 -1.87 0.00 0.00 60.65 58.53 1s04 h LYS 97 Cb 0.22 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 1s04 h LYS 97 CO 0.00 -0.32 -1.85 0.66 -0.57 0.00 0.00 179.45 177.37 1s04 n TYR 98 N -5.16 0.19 0.00 -1.35 4.02 -0.85 -5.09 117.16 108.92 1s04 n TYR 98 Ca -0.08 0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1s04 n TYR 98 Cb 0.25 -0.87 0.00 0.00 -0.02 0.00 0.00 39.34 38.71 1s04 n TYR 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1s04 n GLY 99 N 1.35 0.35 3.12 2.72 0.00 0.52 -5.01 105.19 108.23 1s04 n GLY 99 Ca -0.38 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.39 1s04 n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s04 s VAL 100 N 0.00 0.09 -0.22 1.61 1.01 -1.25 -4.41 120.40 117.24 1s04 s VAL 100 Ca 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 1s04 s VAL 100 Cb 0.00 -0.51 0.07 0.00 0.00 0.00 0.00 36.38 35.94 1s04 s VAL 100 CO 0.00 -0.40 0.07 0.54 0.00 0.00 0.00 175.10 175.31 1s04 s VAL 101 N -1.56 0.33 -0.76 2.92 0.11 -1.23 -0.54 120.40 119.67 1s04 s VAL 101 Ca -0.13 -0.59 -0.24 0.00 -2.93 0.00 0.00 61.98 58.08 1s04 s VAL 101 Cb -0.07 -0.99 0.05 0.00 -1.53 0.00 0.00 36.38 33.85 1s04 s VAL 101 CO 0.01 -0.35 1.18 0.00 -3.33 0.00 0.00 175.10 172.61 1s04 s ALA 102 N 1.93 2.92 -0.17 1.54 0.00 0.27 -3.82 121.76 124.43 1s04 s ALA 102 Ca 0.02 -1.75 -0.20 0.00 0.00 0.00 0.00 51.96 50.03 1s04 s ALA 102 Cb -0.17 -4.14 -0.03 0.00 0.00 0.00 0.00 23.12 18.78 1s04 s ALA 102 CO -0.14 -3.13 0.58 0.42 0.00 0.00 0.00 175.76 173.49 1s04 s ILE 103 N 4.83 5.08 -0.55 0.00 1.01 -1.10 -2.87 121.20 127.60 1s04 s ILE 103 Ca 0.32 1.12 -0.26 0.00 0.00 0.00 0.00 60.65 61.82 1s04 s ILE 103 Cb -0.10 -3.91 0.03 0.00 0.01 0.00 0.00 42.46 38.50 1s04 s ILE 103 CO 0.08 0.19 1.05 -0.70 0.00 0.00 0.00 174.94 175.56 1s04 s GLU 104 N 1.46 3.45 0.29 2.79 2.12 -0.13 -3.86 118.70 124.82 1s04 s GLU 104 Ca 0.28 0.04 0.06 0.00 0.36 0.00 0.00 54.97 55.71 1s04 s GLU 104 Cb -0.16 -4.01 -0.02 0.00 0.26 0.00 0.00 34.13 30.20 1s04 s GLU 104 CO 0.11 -1.53 0.41 0.96 -0.54 0.00 0.00 175.26 174.68 1s04 s ILE 105 N 4.36 4.74 -0.34 -3.70 -0.00 -1.26 0.15 121.20 125.14 1s04 s ILE 105 Ca 0.37 -0.98 -0.01 0.00 -0.00 0.00 0.00 60.65 60.04 1s04 s ILE 105 Cb -0.10 -3.66 0.13 0.00 -0.00 0.00 0.00 42.46 38.82 1s04 s ILE 105 CO 0.23 -0.26 0.18 -0.70 -0.00 0.00 0.00 174.94 174.39 1s04 s GLU 106 N -4.08 0.54 -0.69 0.37 -6.30 -0.81 -4.58 118.70 103.16 1s04 s GLU 106 Ca 0.39 -1.17 -0.27 0.00 -2.50 0.00 0.00 54.97 51.43 1s04 s GLU 106 Cb -0.09 -1.43 0.00 0.00 0.00 0.00 0.00 34.13 32.61 1s04 s GLU 106 CO 0.30 -1.14 1.57 -1.25 0.02 0.00 0.00 175.26 174.76 1s04 s PRO 107 N 1.32 2.92 -0.85 4.30 0.04 -1.26 -1.68 135.00 139.79 1s04 s PRO 107 Ca 0.15 0.15 -0.26 0.00 0.04 0.00 0.00 61.00 61.08 1s04 s PRO 107 Cb -0.21 -4.31 -0.14 0.00 0.04 0.00 0.00 34.50 29.88 1s04 s PRO 107 CO -0.11 -2.45 2.31 -0.51 0.04 0.00 0.00 177.00 176.28 1s04 s LEU 108 N 7.38 2.82 0.00 -3.56 1.02 -0.93 -4.60 118.68 120.81 1s04 s LEU 108 Ca 0.51 -0.20 0.00 0.00 0.02 0.00 0.00 54.13 54.46 1s04 s LEU 108 Cb -0.10 -2.56 0.00 0.00 0.02 0.00 0.00 46.19 43.55 1s04 s LEU 108 CO 0.17 -3.88 0.00 1.21 0.02 0.00 0.00 176.35 173.87 1s04 n GLU 109 N 8.73 0.00 -0.42 1.70 4.07 -1.26 -4.79 120.64 128.67 1s04 n GLU 109 Ca 0.45 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.55 1s04 n GLU 109 Cb 0.44 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.82 1s04 n GLU 109 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05