#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 0.37 -0.05 0.03 2.12 -1.26 -4.61 118.70 115.30 1s04 s GLU 2 Ca 0.00 -0.72 0.05 0.00 0.36 0.00 0.00 54.97 54.66 1s04 s GLU 2 Cb 0.00 0.12 -0.00 0.00 0.26 0.00 0.00 34.13 34.50 1s04 s GLU 2 CO 0.00 -0.06 -0.19 -1.58 -0.54 0.00 0.00 175.26 172.89 1s04 s TRP 3 N -1.87 1.94 0.10 5.30 0.23 -0.92 -5.05 118.94 118.67 1s04 s TRP 3 Ca -0.12 -0.58 0.07 0.00 -2.03 0.00 0.00 56.10 53.44 1s04 s TRP 3 Cb -0.07 -1.30 -0.03 0.00 0.03 0.00 0.00 33.47 32.10 1s04 s TRP 3 CO -0.02 -0.19 -0.18 -1.83 0.96 0.00 0.00 176.95 175.68 1s04 s GLU 4 N 0.01 1.04 0.34 4.98 -1.05 -1.26 -0.04 118.70 122.71 1s04 s GLU 4 Ca -0.05 -1.13 -0.07 0.00 -0.15 0.00 0.00 54.97 53.57 1s04 s GLU 4 Cb -0.12 -1.17 0.03 0.00 -0.44 0.00 0.00 34.13 32.43 1s04 s GLU 4 CO 0.03 0.26 0.57 -1.33 0.95 0.00 0.00 175.26 175.74 1s04 n MET 5 N 1.01 0.82 -3.74 -4.83 2.81 0.37 -4.86 117.12 108.70 1s04 n MET 5 Ca -0.19 -2.34 -0.14 0.00 -1.81 0.00 0.00 57.70 53.23 1s04 n MET 5 Cb 0.54 2.51 -0.09 0.00 -0.71 0.00 0.00 33.22 35.47 1s04 n MET 5 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1s04 s GLY 6 N -2.95 -0.22 0.05 3.03 0.00 -1.26 -0.26 107.32 105.71 1s04 s GLY 6 Ca 0.21 0.59 -0.28 0.00 0.00 0.00 0.00 44.72 45.24 1s04 s GLY 6 CO 0.16 0.38 1.18 0.48 0.00 0.00 0.00 173.10 175.29 1s04 s LEU 7 N -0.93 -0.08 0.99 0.66 2.34 -1.26 -4.88 118.68 115.52 1s04 s LEU 7 Ca -0.10 -0.27 -0.11 0.00 0.06 0.00 0.00 54.13 53.71 1s04 s LEU 7 Cb -0.04 1.65 0.17 0.00 -0.56 0.00 0.00 46.19 47.41 1s04 s LEU 7 CO 0.04 -0.53 1.01 0.00 -1.06 0.00 0.00 176.35 175.80 1s04 n GLN 8 N -0.55 -0.93 -0.18 1.48 6.02 -1.26 -4.79 117.38 117.17 1s04 n GLN 8 Ca -0.06 -0.22 -0.09 0.00 -0.01 0.00 0.00 57.00 56.62 1s04 n GLN 8 Cb 0.61 -2.26 0.01 0.00 1.02 0.00 0.00 30.24 29.63 1s04 n GLN 8 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1s04 h GLU 9 N -2.05 0.88 -0.53 -1.09 4.81 -2.01 -1.46 114.58 113.12 1s04 h GLU 9 Ca -0.48 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 58.47 1s04 h GLU 9 Cb 1.29 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 1s04 h GLU 9 CO 0.42 0.88 0.19 0.93 -0.73 0.00 0.00 179.01 180.69 1s04 h GLU 10 N 0.75 0.77 0.00 1.92 5.08 -2.01 -1.64 114.58 119.46 1s04 h GLU 10 Ca 0.15 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1s04 h GLU 10 Cb 0.44 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1s04 h GLU 10 CO 0.02 0.65 -0.44 0.35 -1.00 0.00 0.00 179.01 178.59 1s04 h PHE 11 N 0.76 0.00 -0.45 4.33 3.04 -1.83 -2.22 116.94 120.57 1s04 h PHE 11 Ca 0.18 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.09 1s04 h PHE 11 Cb 0.19 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.68 1s04 h PHE 11 CO 0.01 0.44 0.12 -0.07 -2.02 0.00 0.00 178.31 176.80 1s04 h LEU 12 N 0.00 0.66 -0.86 0.59 3.38 -0.30 -2.50 115.31 116.29 1s04 h LEU 12 Ca -0.00 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 1s04 h LEU 12 Cb 0.91 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1s04 h LEU 12 CO 0.06 0.71 -0.56 -0.08 0.09 0.00 0.00 178.44 178.66 1s04 h GLU 13 N 0.58 0.02 -0.85 1.13 4.81 -1.35 -2.83 114.58 116.09 1s04 h GLU 13 Ca 0.14 -0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.55 1s04 h GLU 13 Cb 0.30 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.62 1s04 h GLU 13 CO -0.00 0.58 0.57 -0.07 -0.73 0.00 0.00 179.01 179.35 1s04 h LEU 14 N 0.01 0.34 -0.22 1.64 3.38 -0.94 0.40 115.31 119.93 1s04 h LEU 14 Ca -0.01 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1s04 h LEU 14 Cb 1.00 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1s04 h LEU 14 CO 0.07 0.15 0.01 0.40 0.09 0.00 0.00 178.44 179.16 1s04 h ILE 15 N 0.34 1.24 0.00 1.22 5.03 -1.42 1.99 117.51 125.92 1s04 h ILE 15 Ca 0.43 -0.83 -0.04 0.00 -0.12 0.00 0.00 64.86 64.30 1s04 h ILE 15 Cb 1.14 1.37 -0.01 0.00 -3.03 0.00 0.00 36.82 36.29 1s04 h ILE 15 CO -0.14 0.26 -0.20 0.11 -0.68 0.00 0.00 178.15 177.50 1s04 h LYS 16 N 0.15 0.00 0.06 2.37 1.57 -0.70 0.21 116.57 120.23 1s04 h LYS 16 Ca 0.06 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.67 1s04 h LYS 16 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1s04 h LYS 16 CO 0.01 0.20 -0.87 -0.07 -0.57 0.00 0.00 179.45 178.14 1s04 h LEU 17 N 0.00 0.21 0.00 2.94 3.38 0.20 -3.28 115.31 118.76 1s04 h LEU 17 Ca -0.00 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.13 1s04 h LEU 17 Cb 0.50 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1s04 h LEU 17 CO 0.03 1.37 0.00 -2.11 0.09 0.00 0.00 178.44 177.82 1s04 n ARG 18 N -4.26 0.85 0.18 1.13 -4.01 0.67 -3.04 116.66 108.17 1s04 n ARG 18 Ca -0.20 0.00 0.02 0.00 -1.04 0.00 0.00 57.85 56.63 1s04 n ARG 18 Cb 0.72 -1.29 0.32 0.00 -3.04 0.00 0.00 32.46 29.18 1s04 n ARG 18 CO 0.00 0.00 0.00 1.57 -3.04 0.00 0.00 177.63 176.16 1s04 h LYS 19 N 0.00 0.00 -0.12 2.89 2.10 -0.65 -0.92 116.57 119.88 1s04 h LYS 19 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1s04 h LYS 19 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1s04 h LYS 19 CO 0.00 0.42 0.00 1.63 -2.00 0.00 0.00 179.45 179.50 1s04 n LYS 20 N -3.97 1.44 0.00 0.07 5.02 -1.17 -4.69 118.16 114.86 1s04 n LYS 20 Ca -0.02 -0.66 0.00 0.00 -2.02 0.00 0.00 58.31 55.61 1s04 n LYS 20 Cb 0.46 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 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 -0.09 0.00 -3.84 1.97 5.02 -0.43 -5.10 118.16 115.69 1s04 n LYS 21 Ca 0.14 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.36 1s04 n LYS 21 Cb 0.21 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.24 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 1.71 0.00 -0.12 -0.18 -1.09 0.39 -4.97 121.20 116.95 1s04 s ILE 22 Ca 0.00 -0.82 -0.04 0.00 -2.23 0.00 0.00 60.65 57.57 1s04 s ILE 22 Cb 0.00 -2.96 0.06 0.00 -1.58 0.00 0.00 42.46 37.98 1s04 s ILE 22 CO 0.00 0.00 0.16 -0.70 -1.23 0.00 0.00 174.94 173.17 1s04 s GLU 23 N -2.13 0.06 0.25 2.79 2.12 -1.19 -4.22 118.70 116.38 1s04 s GLU 23 Ca 0.19 0.40 -0.03 0.00 0.36 0.00 0.00 54.97 55.89 1s04 s GLU 23 Cb -0.04 -0.67 -0.05 0.00 0.26 0.00 0.00 34.13 33.63 1s04 s GLU 23 CO 0.09 -0.43 0.47 0.20 -0.54 0.00 0.00 175.26 175.06 1s04 s GLY 24 N 2.27 1.81 0.00 -1.50 0.00 -1.26 -2.57 107.32 106.07 1s04 s GLY 24 Ca 0.04 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.06 1s04 s GLY 24 CO -0.07 -0.63 0.00 -2.13 0.00 0.00 0.00 173.10 170.27 1s04 n ARG 25 N -0.81 0.00 -1.26 2.90 3.00 -1.24 -5.02 116.66 114.23 1s04 n ARG 25 Ca -0.03 0.00 -0.47 0.00 -0.00 0.00 0.00 57.85 57.34 1s04 n ARG 25 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.95 1s04 n ARG 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1s04 n LEU 26 N 0.00 -0.40 -4.28 6.15 7.94 -1.26 -3.81 117.00 121.34 1s04 n LEU 26 Ca 0.00 0.99 -0.29 0.00 -1.11 0.00 0.00 56.01 55.60 1s04 n LEU 26 Cb 0.00 -0.80 -0.09 0.00 0.53 0.00 0.00 43.42 43.06 1s04 n LEU 26 CO 0.00 -1.98 1.47 0.00 -1.11 0.00 0.00 177.39 175.77 1s04 n TYR 27 N 0.82 1.70 -0.32 1.96 9.36 -1.23 -4.87 117.16 124.58 1s04 n TYR 27 Ca 0.17 -1.01 0.00 0.00 3.32 0.00 0.00 57.90 60.37 1s04 n TYR 27 Cb 0.12 -2.23 0.00 0.00 -0.63 0.00 0.00 39.34 36.60 1s04 n TYR 27 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1s04 n ASP 28 N 14.25 -0.50 -0.02 2.98 8.00 -1.26 -4.68 116.55 135.32 1s04 n ASP 28 Ca 0.45 -0.32 -0.12 0.00 0.71 0.00 0.00 54.79 55.51 1s04 n ASP 28 Cb 0.45 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.45 1s04 n ASP 28 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1s04 h GLU 29 N 0.00 -0.06 -0.35 -1.24 5.08 -1.99 -1.96 114.58 114.07 1s04 h GLU 29 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1s04 h GLU 29 Cb 0.00 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1s04 h GLU 29 CO 0.00 0.59 -0.19 1.57 -1.00 0.00 0.00 179.01 179.98 1s04 h LYS 30 N -0.82 0.65 -0.02 2.33 2.10 -1.97 -1.70 116.57 117.13 1s04 h LYS 30 Ca -0.01 -0.23 -0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1s04 h LYS 30 Cb 0.67 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.95 1s04 h LYS 30 CO 0.01 0.80 0.01 0.00 -2.00 0.00 0.00 179.45 178.27 1s04 h ARG 31 N 0.58 0.03 0.00 0.07 2.47 -1.90 -1.01 114.38 114.62 1s04 h ARG 31 Ca 0.09 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.79 1s04 h ARG 31 Cb 0.64 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.95 1s04 h ARG 31 CO 0.05 0.08 -0.10 0.07 0.56 0.00 0.00 179.97 180.62 1s04 h ARG 32 N -0.03 0.00 -0.01 0.04 0.11 -1.19 -1.48 114.38 111.82 1s04 h ARG 32 Ca 0.01 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.92 1s04 h ARG 32 Cb 0.06 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.12 1s04 h ARG 32 CO -0.00 0.10 -0.74 1.96 0.10 0.00 0.00 179.97 181.38 1s04 h GLN 33 N 0.00 0.10 -6.29 0.08 4.20 -0.40 -3.43 115.11 109.37 1s04 h GLN 33 Ca -0.00 -0.09 -0.55 0.00 0.06 0.00 0.00 58.65 58.06 1s04 h GLN 33 Cb 0.31 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1s04 h GLN 33 CO 0.01 0.80 0.75 0.42 -0.67 0.00 0.00 178.83 180.14 1s04 s ILE 34 N -3.39 4.21 0.36 2.54 1.01 -0.47 -5.02 121.20 120.43 1s04 s ILE 34 Ca -0.02 1.53 0.09 0.00 0.00 0.00 0.00 60.65 62.25 1s04 s ILE 34 Cb 0.11 -3.98 -0.06 0.00 0.01 0.00 0.00 42.46 38.54 1s04 s ILE 34 CO 0.80 -0.02 -0.05 -1.59 0.00 0.00 0.00 174.94 174.07 1s04 s LYS 35 N 2.46 1.90 -1.24 2.79 0.00 -1.26 -4.96 119.74 119.43 1s04 s LYS 35 Ca 0.56 -1.92 -0.20 0.00 0.00 0.00 0.00 55.97 54.41 1s04 s LYS 35 Cb -0.25 -1.75 -0.01 0.00 0.00 0.00 0.00 37.83 35.82 1s04 s LYS 35 CO 0.21 0.10 1.85 -0.35 0.00 0.00 0.00 175.35 177.17 1s04 n PRO 36 N -0.87 2.40 0.00 1.78 -0.04 -1.26 -3.96 135.00 133.06 1s04 n PRO 36 Ca -0.05 -2.84 0.00 0.00 -0.04 0.00 0.00 63.50 60.57 1s04 n PRO 36 Cb 0.64 -3.58 0.00 0.00 -0.04 0.00 0.00 33.50 30.52 1s04 n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s04 n GLY 37 N 5.50 0.00 0.46 0.55 0.00 -1.25 -4.86 105.19 105.59 1s04 n GLY 37 Ca 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.24 -4.01 1.61 9.92 -1.25 -5.05 116.55 117.52 1s04 n ASP 38 Ca 0.00 -1.15 -0.13 0.00 -0.53 0.00 0.00 54.79 52.98 1s04 n ASP 38 Cb 0.00 0.40 -0.12 0.00 -0.64 0.00 0.00 41.12 40.76 1s04 n ASP 38 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1s04 s VAL 39 N -2.70 0.39 0.11 2.53 1.01 -1.26 -3.16 120.40 117.32 1s04 s VAL 39 Ca 0.02 -0.77 0.10 0.00 0.00 0.00 0.00 61.98 61.33 1s04 s VAL 39 Cb -0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1s04 s VAL 39 CO 0.01 -0.26 -0.25 -0.63 0.00 0.00 0.00 175.10 173.97 1s04 s ILE 40 N -1.01 2.37 0.07 2.22 1.01 0.52 -2.17 121.20 124.21 1s04 s ILE 40 Ca -0.08 -1.63 0.07 0.00 0.00 0.00 0.00 60.65 59.01 1s04 s ILE 40 Cb -0.07 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 1s04 s ILE 40 CO -0.00 0.15 -0.19 -0.55 0.00 0.00 0.00 174.94 174.34 1s04 s SER 41 N -1.92 2.33 -0.03 3.58 0.15 0.94 0.44 113.70 119.18 1s04 s SER 41 Ca 0.14 -0.58 0.05 0.00 0.70 0.00 0.00 55.95 56.25 1s04 s SER 41 Cb -0.10 -0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.05 1s04 s SER 41 CO 0.06 0.09 -0.17 -0.36 1.20 0.00 0.00 173.24 174.06 1s04 s PHE 42 N -0.98 1.66 -1.60 3.44 0.08 -0.66 0.14 117.98 120.06 1s04 s PHE 42 Ca 0.06 -0.43 0.00 0.00 0.12 0.00 0.00 56.93 56.67 1s04 s PHE 42 Cb -0.09 -1.10 0.00 0.00 -0.57 0.00 0.00 43.02 41.25 1s04 s PHE 42 CO 0.03 -0.13 0.00 0.39 -0.10 0.00 0.00 175.22 175.41 1s04 n GLU 43 N 3.02 -1.44 0.00 0.44 -0.58 0.64 -0.12 120.64 122.60 1s04 n GLU 43 Ca -0.17 1.02 0.00 0.00 -0.42 0.00 0.00 57.16 57.59 1s04 n GLU 43 Cb 0.53 -5.35 0.00 0.00 -0.57 0.00 0.00 31.44 26.05 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 -0.33 2.83 0.75 0.62 0.00 -1.26 -4.31 105.19 103.49 1s04 n GLY 44 Ca -0.15 -0.71 -0.04 0.00 0.00 0.00 0.00 46.02 45.12 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 0.43 0.15 -0.02 0.00 -1.05 -4.90 105.19 99.80 1s04 n GLY 45 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.43 -2.66 1.61 1.63 -0.71 -3.44 116.57 113.44 1s04 h LYS 46 Ca -0.32 -0.29 -0.17 0.00 -0.85 0.00 0.00 60.65 59.02 1s04 h LYS 46 Cb 1.09 0.04 -0.30 0.00 -0.60 0.00 0.00 32.23 32.46 1s04 h LYS 46 CO -0.16 0.89 -0.47 -1.17 -3.45 0.00 0.00 179.45 175.09 1s04 s LEU 47 N -8.85 -0.45 -0.04 5.20 1.98 -1.19 -5.00 118.68 110.33 1s04 s LEU 47 Ca -0.14 0.71 -0.03 0.00 -2.89 0.00 0.00 54.13 51.79 1s04 s LEU 47 Cb 0.05 0.98 -0.04 0.00 0.66 0.00 0.00 46.19 47.84 1s04 s LEU 47 CO 0.79 -0.24 0.10 -0.54 -1.89 0.00 0.00 176.35 174.56 1s04 s LYS 48 N 2.50 3.21 0.22 1.98 -0.14 -1.26 -1.65 119.74 124.61 1s04 s LYS 48 Ca 0.01 -0.36 0.00 0.00 -1.36 0.00 0.00 55.97 54.26 1s04 s LYS 48 Cb -0.12 -2.97 -0.05 0.00 -1.68 0.00 0.00 37.83 33.01 1s04 s LYS 48 CO -0.11 0.69 0.11 0.14 -0.76 0.00 0.00 175.35 175.43 1s04 s VAL 49 N -1.13 0.26 -0.08 3.17 -7.23 0.17 -1.91 120.40 113.64 1s04 s VAL 49 Ca 0.20 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.34 1s04 s VAL 49 Cb -0.12 -2.54 0.05 0.00 0.56 0.00 0.00 36.38 34.32 1s04 s VAL 49 CO 0.11 -0.02 0.18 -0.60 -0.31 0.00 0.00 175.10 174.46 1s04 s ARG 50 N -4.10 0.09 0.46 4.82 3.52 -0.35 0.19 118.95 123.59 1s04 s ARG 50 Ca 0.38 0.50 -0.25 0.00 -0.13 0.00 0.00 55.73 56.23 1s04 s ARG 50 Cb 0.07 -0.19 -0.08 0.00 -1.56 0.00 0.00 34.95 33.20 1s04 s ARG 50 CO 0.12 -0.23 1.44 0.08 -0.81 0.00 0.00 175.30 175.90 1s04 s VAL 51 N 1.71 2.01 -0.08 7.11 1.01 -1.19 -1.49 120.40 129.47 1s04 s VAL 51 Ca -0.04 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 1s04 s VAL 51 Cb -0.12 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 1s04 s VAL 51 CO -0.07 0.00 -0.08 0.29 0.00 0.00 0.00 175.10 175.24 1s04 n LYS 52 N -0.30 0.20 -3.56 2.72 4.76 -0.09 -3.94 118.16 117.95 1s04 n LYS 52 Ca 0.06 0.05 -0.08 0.00 -2.87 0.00 0.00 58.31 55.47 1s04 n LYS 52 Cb 0.42 -1.09 -0.02 0.00 -1.84 0.00 0.00 35.03 32.50 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 -2.16 -1.67 0.10 7.82 0.00 -1.21 -4.73 121.76 119.90 1s04 s ALA 53 Ca -0.11 0.57 0.10 0.00 0.00 0.00 0.00 51.96 52.52 1s04 s ALA 53 Cb 0.03 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 1s04 s ALA 53 CO 0.18 -0.81 -0.25 -1.50 0.00 0.00 0.00 175.76 173.38 1s04 s ILE 54 N -3.40 2.10 -0.05 0.00 2.07 -1.26 -2.59 121.20 118.08 1s04 s ILE 54 Ca 0.06 -1.59 -0.15 0.00 -1.41 0.00 0.00 60.65 57.56 1s04 s ILE 54 Cb -0.02 -1.85 0.03 0.00 0.13 0.00 0.00 42.46 40.76 1s04 s ILE 54 CO -0.06 0.14 0.33 -0.13 -1.91 0.00 0.00 174.94 173.31 1s04 s ARG 55 N -1.77 0.62 0.07 3.50 1.81 -1.21 -4.98 118.95 116.99 1s04 s ARG 55 Ca 0.12 -0.00 0.08 0.00 -1.72 0.00 0.00 55.73 54.21 1s04 s ARG 55 Cb -0.10 0.28 -0.03 0.00 -0.45 0.00 0.00 34.95 34.65 1s04 s ARG 55 CO 0.04 -0.16 -0.22 0.08 -0.68 0.00 0.00 175.30 174.36 1s04 s VAL 56 N -0.95 1.83 0.37 3.52 1.01 -1.26 -1.43 120.40 123.49 1s04 s VAL 56 Ca -0.10 -1.37 0.04 0.00 0.00 0.00 0.00 61.98 60.55 1s04 s VAL 56 Cb -0.04 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 1s04 s VAL 56 CO 0.04 0.16 0.16 -1.22 0.00 0.00 0.00 175.10 174.24 1s04 n TYR 57 N 1.56 -0.03 -0.02 5.22 4.02 0.11 -4.90 117.16 123.12 1s04 n TYR 57 Ca -0.18 -2.49 -0.16 0.00 -0.01 0.00 0.00 57.90 55.06 1s04 n TYR 57 Cb 0.53 0.05 -0.11 0.00 -0.02 0.00 0.00 39.34 39.78 1s04 n TYR 57 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 176.86 174.88 1s04 h ASN 58 N 1.60 0.32 -5.03 7.72 -1.24 -1.92 -3.33 115.58 113.70 1s04 h ASN 58 Ca -0.28 -0.78 0.05 0.00 0.71 0.00 0.00 56.30 55.99 1s04 h ASN 58 Cb 1.14 -0.10 -0.06 0.00 0.73 0.00 0.00 38.32 40.03 1s04 h ASN 58 CO 0.44 1.07 0.18 -0.55 -1.29 0.00 0.00 177.43 177.28 1s04 s SER 59 N -6.47 -0.25 0.36 1.15 0.15 -1.26 -4.44 113.70 102.93 1s04 s SER 59 Ca -0.15 -0.62 0.04 0.00 0.70 0.00 0.00 55.95 55.91 1s04 s SER 59 Cb 0.02 0.70 0.68 0.00 -1.71 0.00 0.00 66.02 65.71 1s04 s SER 59 CO 0.77 -1.30 1.99 -0.26 1.20 0.00 0.00 173.24 175.64 1s04 h PHE 60 N 2.04 0.78 -0.64 3.44 0.04 -1.93 -1.78 116.94 118.89 1s04 h PHE 60 Ca -0.21 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.65 1s04 h PHE 60 Cb 1.25 -0.26 -0.06 0.00 2.20 0.00 0.00 35.95 39.08 1s04 h PHE 60 CO 0.42 0.46 0.33 -0.09 -0.60 0.00 0.00 178.31 178.82 1s04 h ARG 61 N 0.81 0.58 -0.27 1.51 2.43 -1.96 0.93 114.38 118.42 1s04 h ARG 61 Ca 0.27 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.35 1s04 h ARG 61 Cb 0.05 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1s04 h ARG 61 CO -0.07 0.38 -0.08 0.93 -1.51 0.00 0.00 179.97 179.62 1s04 h GLU 62 N 0.59 0.43 -0.00 0.20 5.08 -1.74 0.90 114.58 120.04 1s04 h GLU 62 Ca 0.30 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 1s04 h GLU 62 Cb 0.25 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.45 1s04 h GLU 62 CO -0.22 0.52 -0.27 0.52 -1.00 0.00 0.00 179.01 178.56 1s04 h MET 63 N 0.40 0.19 -0.05 2.33 2.86 -0.66 0.24 114.93 120.24 1s04 h MET 63 Ca 0.08 -0.20 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 1s04 h MET 63 Cb 0.39 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1s04 h MET 63 CO 0.02 0.93 -0.46 -0.07 1.06 0.00 0.00 176.91 178.39 1s04 h LEU 64 N -0.47 0.12 0.00 1.22 3.38 0.96 1.77 115.31 122.29 1s04 h LEU 64 Ca -0.03 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1s04 h LEU 64 Cb 1.02 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1s04 h LEU 64 CO 0.05 0.57 -0.07 -0.33 0.09 0.00 0.00 178.44 178.75 1s04 h GLU 65 N 0.09 0.05 0.00 1.13 4.39 0.80 0.51 114.58 121.55 1s04 h GLU 65 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1s04 h GLU 65 Cb 0.86 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1s04 h GLU 65 CO 0.07 0.84 -0.02 -0.22 -1.16 0.00 0.00 179.01 178.52 1s04 h LYS 66 N -0.73 0.00 0.00 2.33 3.64 -0.47 -3.38 116.57 117.96 1s04 h LYS 66 Ca -0.01 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1s04 h LYS 66 Cb 0.87 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1s04 h LYS 66 CO 0.01 0.00 -0.05 1.49 -2.27 0.00 0.00 179.45 178.63 1s04 h GLU 67 N -0.50 -0.09 0.00 1.90 4.57 0.24 -3.49 114.58 117.21 1s04 h GLU 67 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1s04 h GLU 67 Cb 0.02 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1s04 h GLU 67 CO 0.00 -0.06 0.00 0.41 -1.18 0.00 0.00 179.01 178.18 1s04 n GLY 68 N -1.17 3.92 0.52 1.92 0.00 0.72 -4.73 105.19 106.38 1s04 n GLY 68 Ca -0.06 -1.05 -0.20 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.28 -1.15 0.99 5.85 -0.29 -1.03 115.31 118.41 1s04 h LEU 69 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1s04 h LEU 69 Cb 0.00 0.38 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1s04 h LEU 69 CO 0.00 -0.75 0.00 -0.33 -0.34 0.00 0.00 178.44 177.02 1s04 h GLU 70 N -1.20 0.00 -0.54 1.25 5.08 -1.87 0.55 114.58 117.85 1s04 h GLU 70 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1s04 h GLU 70 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1s04 h GLU 70 CO 0.09 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.19 1s04 n ASN 71 N -2.45 2.84 0.01 1.42 5.03 -0.55 -4.17 115.26 117.38 1s04 n ASN 71 Ca 0.01 -2.17 0.00 0.00 0.87 0.00 0.00 54.58 53.29 1s04 n ASN 71 Cb 0.19 -0.39 0.00 0.00 -1.02 0.00 0.00 39.78 38.56 1s04 n ASN 71 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1s04 n VAL 72 N 0.68 0.01 -3.90 2.41 0.31 -0.14 -0.46 118.33 117.23 1s04 n VAL 72 Ca 0.15 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.18 1s04 n VAL 72 Cb 0.51 -0.60 -0.15 0.00 -0.91 0.00 0.00 33.84 32.70 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 -5.19 3.79 -0.14 7.52 2.96 0.17 -4.37 118.68 123.43 1s04 s LEU 73 Ca 0.00 -2.06 -0.29 0.00 -0.22 0.00 0.00 54.13 51.55 1s04 s LEU 73 Cb 0.00 -1.35 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 1s04 s LEU 73 CO 0.00 -0.38 1.27 -2.16 -1.32 0.00 0.00 176.35 173.76 1s04 s PRO 74 N 1.04 4.25 0.00 0.98 0.04 -1.26 -2.83 135.00 137.22 1s04 s PRO 74 Ca 0.11 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1s04 s PRO 74 Cb -0.19 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.61 1s04 s PRO 74 CO -0.13 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 176.65 1s04 n GLY 75 N 3.59 1.48 3.00 0.56 0.00 -1.26 -5.08 105.19 107.48 1s04 n GLY 75 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.13 0.22 0.09 1.61 3.14 -1.13 -4.87 118.33 117.25 1s04 n VAL 76 Ca 0.00 -0.46 -0.19 0.00 -2.96 0.00 0.00 64.34 60.73 1s04 n VAL 76 Cb 0.00 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 32.63 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 0.11 0.34 -2.07 1.45 1.57 -1.92 -3.49 116.57 112.55 1s04 h LYS 77 Ca -0.36 -0.58 0.24 0.00 -1.87 0.00 0.00 60.65 58.08 1s04 h LYS 77 Cb 1.33 0.21 -0.08 0.00 0.08 0.00 0.00 32.23 33.77 1s04 h LYS 77 CO 0.40 1.23 0.66 0.45 -0.57 0.00 0.00 179.45 181.62 1s04 s SER 78 N -7.18 -0.08 0.30 0.86 0.15 -1.26 -4.97 113.70 101.52 1s04 s SER 78 Ca -0.10 -0.36 -0.01 0.00 0.70 0.00 0.00 55.95 56.18 1s04 s SER 78 Cb 0.06 0.35 0.48 0.00 -1.71 0.00 0.00 66.02 65.20 1s04 s SER 78 CO 0.87 -0.67 1.93 0.40 1.20 0.00 0.00 173.24 176.97 1s04 h ILE 79 N 2.00 1.12 -0.32 6.45 2.04 -1.99 0.17 117.51 126.98 1s04 h ILE 79 Ca -0.27 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 1s04 h ILE 79 Cb 1.21 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1s04 h ILE 79 CO 0.29 0.20 0.03 -0.33 0.00 0.00 0.00 178.15 178.34 1s04 h GLU 80 N 1.09 0.54 -0.75 2.37 4.39 -2.01 -2.85 114.58 117.36 1s04 h GLU 80 Ca 0.36 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.87 1s04 h GLU 80 Cb 0.07 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1s04 h GLU 80 CO -0.12 0.66 0.33 0.93 -1.16 0.00 0.00 179.01 179.64 1s04 h GLU 81 N 0.36 1.09 -0.70 2.33 4.39 -1.70 -2.55 114.58 117.80 1s04 h GLU 81 Ca 0.09 -0.17 0.12 0.00 0.34 0.00 0.00 59.36 59.74 1s04 h GLU 81 Cb 0.39 -0.19 -0.08 0.00 -0.10 0.00 0.00 28.75 28.77 1s04 h GLU 81 CO 0.01 0.87 0.28 0.78 -1.16 0.00 0.00 179.01 179.79 1s04 h GLY 82 N 1.12 1.03 1.66 -3.84 0.00 -0.48 0.29 103.07 102.85 1s04 h GLY 82 Ca 0.25 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 1s04 h GLY 82 CO -0.03 -0.05 0.03 -2.22 0.00 0.00 0.00 176.54 174.28 1s04 h ILE 83 N 0.45 1.16 -0.43 2.60 2.04 -1.28 -1.48 117.51 120.58 1s04 h ILE 83 Ca 0.37 -0.61 -0.13 0.00 1.00 0.00 0.00 64.86 65.49 1s04 h ILE 83 Cb 0.50 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1s04 h ILE 83 CO -0.35 0.21 -0.25 1.56 0.00 0.00 0.00 178.15 179.33 1s04 h GLN 84 N 0.42 0.89 -0.68 2.37 1.08 -0.32 0.09 115.11 118.96 1s04 h GLN 84 Ca 0.10 -0.38 -0.06 0.00 -1.45 0.00 0.00 58.65 56.86 1s04 h GLN 84 Cb 0.24 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 1s04 h GLN 84 CO 0.00 1.03 0.21 0.28 -0.95 0.00 0.00 178.83 179.40 1s04 h VAL 85 N 0.76 1.25 -0.11 -0.54 2.07 -0.09 0.21 116.25 119.80 1s04 h VAL 85 Ca 0.10 -0.88 -0.13 0.00 0.82 0.00 0.00 66.70 66.60 1s04 h VAL 85 Cb 0.80 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1s04 h VAL 85 CO 0.07 0.34 -0.50 1.88 0.02 0.00 0.00 177.57 179.38 1s04 h TYR 86 N 1.00 0.37 -0.07 1.57 0.05 -1.09 -2.76 116.97 116.04 1s04 h TYR 86 Ca 0.22 -0.12 -0.18 0.00 0.05 0.00 0.00 58.73 58.70 1s04 h TYR 86 Cb 0.31 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 1s04 h TYR 86 CO 0.02 0.74 -0.74 -0.09 -1.05 0.00 0.00 178.16 177.05 1s04 h ARG 87 N 0.24 0.37 -0.41 4.88 2.43 -0.51 1.53 114.38 122.91 1s04 h ARG 87 Ca 0.01 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 58.86 1s04 h ARG 87 Cb 0.96 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 1s04 h ARG 87 CO 0.08 0.95 0.22 0.00 -1.51 0.00 0.00 179.97 179.71 1s04 h ARG 88 N 0.25 0.57 0.00 0.20 3.08 -0.44 -3.33 114.38 114.71 1s04 h ARG 88 Ca -0.03 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 59.82 1s04 h ARG 88 Cb 1.31 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 1s04 h ARG 88 CO 0.12 0.46 -0.93 0.74 -1.07 0.00 0.00 179.97 179.30 1s04 h PHE 89 N 0.52 0.00 -3.33 3.04 0.04 -1.48 -3.47 116.94 112.26 1s04 h PHE 89 Ca 0.14 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.36 1s04 h PHE 89 Cb 0.06 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.18 1s04 h PHE 89 CO -0.02 0.83 -0.12 0.71 -0.60 0.00 0.00 178.31 179.11 1s04 s TYR 90 N -2.30 3.53 0.32 -0.55 2.02 0.52 -5.06 117.35 115.84 1s04 s TYR 90 Ca -0.22 0.94 -0.28 0.00 -0.37 0.00 0.00 57.07 57.14 1s04 s TYR 90 Cb 0.04 -2.29 -0.09 0.00 -0.40 0.00 0.00 41.96 39.22 1s04 s TYR 90 CO 0.42 0.38 1.10 -0.51 -1.57 0.00 0.00 175.55 175.38 1s04 s ASP 91 N -1.98 7.04 0.26 2.29 1.01 -1.26 -3.56 116.67 120.47 1s04 s ASP 91 Ca 0.41 2.23 0.01 0.00 0.71 0.00 0.00 52.55 55.92 1s04 s ASP 91 Cb -0.13 -2.62 0.33 0.00 1.01 0.00 0.00 42.92 41.51 1s04 s ASP 91 CO 0.20 -0.30 1.66 -0.08 0.21 0.00 0.00 175.17 176.86 1s04 h GLU 92 N 3.35 0.48 0.26 8.23 4.22 -1.89 -0.66 114.58 128.57 1s04 h GLU 92 Ca -0.47 -0.21 -0.01 0.00 0.08 0.00 0.00 59.36 58.74 1s04 h GLU 92 Cb 1.22 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1s04 h GLU 92 CO 0.65 0.76 -0.12 1.49 -2.18 0.00 0.00 179.01 179.61 1s04 h GLU 93 N 0.41 -0.34 -0.53 1.92 4.22 -1.97 0.20 114.58 118.48 1s04 h GLU 93 Ca 0.05 0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.55 1s04 h GLU 93 Cb 0.80 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 1s04 h GLU 93 CO 0.06 -0.01 0.28 0.87 -2.18 0.00 0.00 179.01 178.04 1s04 h LYS 94 N -0.70 0.54 0.06 1.92 1.57 -1.96 0.24 116.57 118.24 1s04 h LYS 94 Ca -0.04 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1s04 h LYS 94 Cb 0.48 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1s04 h LYS 94 CO 0.06 0.36 -0.14 1.49 -0.57 0.00 0.00 179.45 180.64 1s04 h GLU 95 N 0.55 -0.26 0.00 3.15 4.81 -1.08 0.13 114.58 121.88 1s04 h GLU 95 Ca 0.23 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1s04 h GLU 95 Cb 0.12 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1s04 h GLU 95 CO -0.15 -0.17 0.00 0.87 -0.73 0.00 0.00 179.01 178.83 1s04 h LYS 96 N -0.27 0.00 0.22 1.92 1.57 -0.44 1.57 116.57 121.14 1s04 h LYS 96 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1s04 h LYS 96 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1s04 h LYS 96 CO -0.09 0.00 -0.11 -0.22 -0.57 0.00 0.00 179.45 178.46 1s04 h LYS 97 N 0.00 -0.29 0.00 3.15 3.64 0.20 -3.42 116.57 119.86 1s04 h LYS 97 Ca 0.00 0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.20 1s04 h LYS 97 Cb 0.21 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1s04 h LYS 97 CO 0.00 -0.10 -1.53 0.66 -2.27 0.00 0.00 179.45 176.21 1s04 n TYR 98 N -4.97 0.24 0.00 1.91 4.01 -0.29 -5.08 117.16 112.98 1s04 n TYR 98 Ca -0.05 0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1s04 n TYR 98 Cb 0.16 -0.79 0.00 0.00 -0.31 0.00 0.00 39.34 38.40 1s04 n TYR 98 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s04 n GLY 99 N 1.40 0.30 3.56 2.72 0.00 0.53 -4.94 105.19 108.76 1s04 n GLY 99 Ca -0.30 -2.05 -0.25 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.18 3.05 -0.21 1.61 1.01 -1.25 -3.53 120.40 120.90 1s04 s VAL 100 Ca 0.00 -1.87 -0.04 0.00 0.00 0.00 0.00 61.98 60.07 1s04 s VAL 100 Cb 0.00 -2.55 0.07 0.00 0.00 0.00 0.00 36.38 33.90 1s04 s VAL 100 CO 0.00 -0.21 0.08 0.68 0.00 0.00 0.00 175.10 175.64 1s04 s VAL 101 N -1.96 0.19 -0.79 2.92 -7.23 -1.25 0.07 120.40 112.35 1s04 s VAL 101 Ca 0.27 -0.48 -0.26 0.00 -1.81 0.00 0.00 61.98 59.69 1s04 s VAL 101 Cb -0.08 -0.87 0.03 0.00 0.56 0.00 0.00 36.38 36.02 1s04 s VAL 101 CO 0.16 -0.36 1.34 0.00 -0.31 0.00 0.00 175.10 175.93 1s04 s ALA 102 N 2.00 2.71 -0.17 1.32 0.00 -0.52 -3.69 121.76 123.41 1s04 s ALA 102 Ca 0.03 -1.50 -0.08 0.00 0.00 0.00 0.00 51.96 50.41 1s04 s ALA 102 Cb -0.16 -4.31 -0.04 0.00 0.00 0.00 0.00 23.12 18.60 1s04 s ALA 102 CO -0.14 -3.39 0.11 0.96 0.00 0.00 0.00 175.76 173.30 1s04 s ILE 103 N 5.78 5.22 -0.37 0.00 -4.36 -1.06 -3.29 121.20 123.12 1s04 s ILE 103 Ca 0.39 0.11 -0.19 0.00 -0.26 0.00 0.00 60.65 60.70 1s04 s ILE 103 Cb -0.07 -3.34 0.00 0.00 1.25 0.00 0.00 42.46 40.31 1s04 s ILE 103 CO 0.11 0.50 0.56 -0.70 0.24 0.00 0.00 174.94 175.65 1s04 s GLU 104 N -0.05 3.57 0.42 0.37 2.12 -1.07 -3.16 118.70 120.91 1s04 s GLU 104 Ca 0.09 -0.14 0.08 0.00 0.36 0.00 0.00 54.97 55.35 1s04 s GLU 104 Cb -0.12 -3.83 -0.01 0.00 0.26 0.00 0.00 34.13 30.44 1s04 s GLU 104 CO 0.00 -0.73 0.46 0.96 -0.54 0.00 0.00 175.26 175.41 1s04 s ILE 105 N 2.54 2.76 -0.26 -3.70 -0.00 -1.26 -0.91 121.20 120.37 1s04 s ILE 105 Ca 0.21 -1.21 -0.03 0.00 -0.00 0.00 0.00 60.65 59.62 1s04 s ILE 105 Cb -0.15 -2.97 0.11 0.00 -0.00 0.00 0.00 42.46 39.45 1s04 s ILE 105 CO 0.14 0.00 0.23 -0.70 -0.00 0.00 0.00 174.94 174.61 1s04 s GLU 106 N -4.23 0.24 -0.62 0.37 -6.30 -0.56 -4.88 118.70 102.74 1s04 s GLU 106 Ca 0.51 -0.13 -0.27 0.00 -2.50 0.00 0.00 54.97 52.58 1s04 s GLU 106 Cb -0.06 -0.99 0.01 0.00 0.00 0.00 0.00 34.13 33.09 1s04 s GLU 106 CO 0.30 -0.90 1.53 -1.25 0.02 0.00 0.00 175.26 174.96 1s04 s PRO 107 N 2.28 3.07 -1.49 4.30 0.04 -1.26 -1.21 135.00 140.72 1s04 s PRO 107 Ca 0.08 0.35 -0.08 0.00 0.04 0.00 0.00 61.00 61.39 1s04 s PRO 107 Cb -0.15 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.17 1s04 s PRO 107 CO -0.27 -2.23 2.69 1.47 0.04 0.00 0.00 177.00 178.70 1s04 n LEU 108 N 10.52 8.38 -0.34 -3.56 -0.00 -0.80 -3.80 117.00 127.39 1s04 n LEU 108 Ca 0.13 -4.58 0.00 0.00 -0.00 0.00 0.00 56.01 51.56 1s04 n LEU 108 Cb 0.50 -1.48 0.00 0.00 -0.00 0.00 0.00 43.42 42.44 1s04 n LEU 108 CO 0.71 2.02 0.24 1.21 -0.00 0.00 0.00 177.39 181.57 1s04 n GLU 109 N 2.93 0.00 0.00 1.47 4.07 -1.26 -4.82 120.64 123.04 1s04 n GLU 109 Ca 0.71 -0.71 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 1s04 n GLU 109 Cb 0.24 -0.42 0.00 0.00 -0.06 0.00 0.00 31.44 31.20 1s04 n GLU 109 CO 0.00 0.00 0.00 2.48 -0.06 0.00 0.00 177.13 179.55