#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 0.62 -0.13 0.03 2.12 -1.26 -4.15 118.70 115.93 1s04 s GLU 2 Ca 0.00 -1.01 -0.11 0.00 0.36 0.00 0.00 54.97 54.20 1s04 s GLU 2 Cb 0.00 -0.13 0.03 0.00 0.26 0.00 0.00 34.13 34.30 1s04 s GLU 2 CO 0.00 -0.01 0.33 -1.58 -0.54 0.00 0.00 175.26 173.46 1s04 s TRP 3 N -2.59 -0.38 0.40 5.30 0.52 -0.95 -5.01 118.94 116.24 1s04 s TRP 3 Ca -0.00 0.91 0.08 0.00 0.02 0.00 0.00 56.10 57.10 1s04 s TRP 3 Cb -0.02 0.13 -0.06 0.00 -1.15 0.00 0.00 33.47 32.37 1s04 s TRP 3 CO -0.03 -0.19 0.09 -1.83 0.02 0.00 0.00 176.95 175.01 1s04 s GLU 4 N 0.29 2.11 -0.30 4.98 4.04 -1.26 0.78 118.70 129.34 1s04 s GLU 4 Ca -0.01 -1.92 -0.12 0.00 0.04 0.00 0.00 54.97 52.96 1s04 s GLU 4 Cb -0.03 -1.86 0.18 0.00 0.02 0.00 0.00 34.13 32.45 1s04 s GLU 4 CO -0.01 -0.05 1.05 -1.64 -1.84 0.00 0.00 175.26 172.77 1s04 s MET 5 N -3.81 0.17 0.15 -4.83 -1.94 0.75 -4.84 119.30 104.95 1s04 s MET 5 Ca 0.38 0.24 -0.23 0.00 -1.71 0.00 0.00 55.69 54.36 1s04 s MET 5 Cb 0.05 0.12 -0.08 0.00 2.01 0.00 0.00 34.83 36.94 1s04 s MET 5 CO 0.20 -0.24 0.72 0.20 -0.01 0.00 0.00 175.02 175.89 1s04 s GLY 6 N 2.95 2.84 0.24 -0.03 0.00 -1.26 -2.81 107.32 109.26 1s04 s GLY 6 Ca 0.11 0.27 -0.17 0.00 0.00 0.00 0.00 44.72 44.93 1s04 s GLY 6 CO -0.16 0.75 0.85 1.47 0.00 0.00 0.00 173.10 176.00 1s04 n LEU 7 N 1.57 0.00 -4.78 0.66 -0.00 -1.26 -4.90 117.00 108.28 1s04 n LEU 7 Ca -0.07 -1.74 -0.33 0.00 -0.00 0.00 0.00 56.01 53.88 1s04 n LEU 7 Cb 0.49 2.93 0.04 0.00 -0.00 0.00 0.00 43.42 46.89 1s04 n LEU 7 CO 0.45 -0.58 0.73 -1.58 -0.00 0.00 0.00 177.39 176.40 1s04 s GLN 8 N -2.06 2.89 0.22 1.47 0.74 -1.26 -4.85 119.66 116.81 1s04 s GLN 8 Ca 0.18 1.29 -0.08 0.00 0.05 0.00 0.00 55.36 56.80 1s04 s GLN 8 Cb -0.03 -1.97 0.17 0.00 1.10 0.00 0.00 33.01 32.28 1s04 s GLN 8 CO 0.07 -1.16 1.81 1.49 -0.55 0.00 0.00 175.29 176.95 1s04 h GLU 9 N -0.04 1.20 -0.88 1.67 4.81 -2.01 -1.99 114.58 117.33 1s04 h GLU 9 Ca -0.46 -0.18 0.15 0.00 -0.13 0.00 0.00 59.36 58.74 1s04 h GLU 9 Cb 1.23 -0.21 -0.07 0.00 0.63 0.00 0.00 28.75 30.33 1s04 h GLU 9 CO 0.55 0.93 0.57 1.05 -0.73 0.00 0.00 179.01 181.38 1s04 h GLU 10 N 1.18 0.63 -0.01 1.92 4.11 -2.00 0.27 114.58 120.69 1s04 h GLU 10 Ca 0.29 -0.04 -0.14 0.00 0.07 0.00 0.00 59.36 59.54 1s04 h GLU 10 Cb 0.13 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1s04 h GLU 10 CO -0.04 0.42 -0.64 0.35 0.07 0.00 0.00 179.01 179.18 1s04 h PHE 11 N 0.65 0.03 -0.07 2.06 3.04 -1.75 -2.96 116.94 117.95 1s04 h PHE 11 Ca 0.45 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.36 1s04 h PHE 11 Cb 0.77 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.27 1s04 h PHE 11 CO -0.00 0.65 -0.03 -0.07 -2.02 0.00 0.00 178.31 176.84 1s04 h LEU 12 N 0.02 0.15 -2.03 0.59 3.38 -0.16 -2.70 115.31 114.56 1s04 h LEU 12 Ca -0.01 -0.40 0.10 0.00 0.09 0.00 0.00 57.88 57.66 1s04 h LEU 12 Cb 1.13 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1s04 h LEU 12 CO 0.08 0.52 0.26 -0.08 0.09 0.00 0.00 178.44 179.32 1s04 h GLU 13 N -0.22 0.00 -0.37 1.13 4.81 -1.09 0.42 114.58 119.26 1s04 h GLU 13 Ca 0.02 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 1s04 h GLU 13 Cb 0.46 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1s04 h GLU 13 CO 0.01 0.00 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.21 1s04 h LEU 14 N 0.00 0.65 -1.20 1.64 3.38 -1.31 -2.26 115.31 116.21 1s04 h LEU 14 Ca 0.17 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 57.90 1s04 h LEU 14 Cb 0.69 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 1s04 h LEU 14 CO -0.00 0.81 0.57 0.40 0.09 0.00 0.00 178.44 180.31 1s04 h ILE 15 N 0.48 1.01 -0.11 1.22 5.03 -0.67 0.50 117.51 124.96 1s04 h ILE 15 Ca 0.10 -0.32 -0.06 0.00 -0.12 0.00 0.00 64.86 64.46 1s04 h ILE 15 Cb 0.48 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 34.26 1s04 h ILE 15 CO 0.02 0.17 -0.22 0.50 -0.68 0.00 0.00 178.15 177.94 1s04 h LYS 16 N 0.92 0.19 0.00 2.37 3.64 -1.08 -1.17 116.57 121.44 1s04 h LYS 16 Ca 0.40 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1s04 h LYS 16 Cb 0.32 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1s04 h LYS 16 CO -0.16 0.41 -0.24 -0.07 -2.27 0.00 0.00 179.45 177.12 1s04 h LEU 17 N 0.18 0.00 -0.07 5.20 4.07 0.04 -3.07 115.31 121.66 1s04 h LEU 17 Ca 0.03 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1s04 h LEU 17 Cb 0.49 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 1s04 h LEU 17 CO 0.03 0.00 0.00 0.54 -1.08 0.00 0.00 178.44 177.94 1s04 n ARG 18 N -2.94 1.05 0.23 1.13 1.74 0.14 -3.07 116.66 114.93 1s04 n ARG 18 Ca 0.03 -0.07 0.11 0.00 -0.77 0.00 0.00 57.85 57.16 1s04 n ARG 18 Cb 0.53 -1.48 0.43 0.00 -1.02 0.00 0.00 32.46 30.92 1s04 n ARG 18 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1s04 h LYS 19 N 0.16 0.00 -0.01 5.56 3.64 -1.41 -2.82 116.57 121.70 1s04 h LYS 19 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1s04 h LYS 19 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1s04 h LYS 19 CO 0.00 0.17 -0.15 1.17 -2.27 0.00 0.00 179.45 178.37 1s04 n LYS 20 N -3.27 1.82 0.00 1.90 3.00 -1.17 -4.94 118.16 115.50 1s04 n LYS 20 Ca 0.01 -0.66 0.00 0.00 -0.00 0.00 0.00 58.31 57.66 1s04 n LYS 20 Cb 0.44 -1.07 0.00 0.00 0.00 0.00 0.00 35.03 34.40 1s04 n LYS 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1s04 n LYS 21 N -0.13 0.00 -3.82 1.64 5.02 -1.07 -5.09 118.16 114.70 1s04 n LYS 21 Ca 0.04 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.30 1s04 n LYS 21 Cb 0.20 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.21 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 2.18 0.00 -0.20 -0.18 -1.09 0.37 -4.94 121.20 117.34 1s04 s ILE 22 Ca 0.00 -0.60 -0.04 0.00 -2.23 0.00 0.00 60.65 57.78 1s04 s ILE 22 Cb 0.00 -2.54 0.08 0.00 -1.58 0.00 0.00 42.46 38.42 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 -2.56 0.14 1.05 2.79 2.12 -1.23 -4.16 118.70 116.86 1s04 s GLU 23 Ca 0.18 -0.03 -0.18 0.00 0.36 0.00 0.00 54.97 55.30 1s04 s GLU 23 Cb -0.02 -1.45 0.24 0.00 0.26 0.00 0.00 34.13 33.17 1s04 s GLU 23 CO 0.04 -0.73 1.29 0.20 -0.54 0.00 0.00 175.26 175.52 1s04 s GLY 24 N 2.22 1.76 0.00 -1.50 0.00 -1.26 -0.95 107.32 107.59 1s04 s GLY 24 Ca 0.05 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.53 1s04 s GLY 24 CO -0.15 -0.39 0.00 0.54 0.00 0.00 0.00 173.10 173.10 1s04 n ARG 25 N -4.11 0.00 -1.76 2.90 5.12 -1.14 -4.74 116.66 112.94 1s04 n ARG 25 Ca 0.16 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.68 1s04 n ARG 25 Cb 0.59 0.00 0.02 0.00 -1.16 0.00 0.00 32.46 31.91 1s04 n ARG 25 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1s04 n LEU 26 N 0.00 4.94 -3.61 0.55 7.94 -1.26 0.37 117.00 125.93 1s04 n LEU 26 Ca 0.00 1.13 -0.41 0.00 -1.11 0.00 0.00 56.01 55.62 1s04 n LEU 26 Cb 0.00 -1.59 -0.03 0.00 0.53 0.00 0.00 43.42 42.33 1s04 n LEU 26 CO 0.00 -0.18 2.48 0.00 -1.11 0.00 0.00 177.39 178.58 1s04 n TYR 27 N -0.13 2.61 -0.36 1.96 9.36 -1.05 -4.67 117.16 124.88 1s04 n TYR 27 Ca 0.05 -2.43 0.00 0.00 3.32 0.00 0.00 57.90 58.84 1s04 n TYR 27 Cb 0.41 -2.14 0.00 0.00 -0.63 0.00 0.00 39.34 36.98 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 6.34 -0.66 0.01 2.98 9.92 -1.26 -4.73 116.55 129.15 1s04 n ASP 28 Ca 0.52 -0.36 -0.18 0.00 -0.53 0.00 0.00 54.79 54.25 1s04 n ASP 28 Cb 0.37 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.73 1s04 n ASP 28 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1s04 h GLU 29 N 0.00 0.41 -0.49 -1.24 5.08 -1.99 -2.57 114.58 113.77 1s04 h GLU 29 Ca 0.00 -0.46 -0.10 0.00 -1.00 0.00 0.00 59.36 57.80 1s04 h GLU 29 Cb 0.00 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1s04 h GLU 29 CO 0.00 1.12 -0.09 1.57 -1.00 0.00 0.00 179.01 180.62 1s04 h LYS 30 N -0.11 0.93 -0.02 2.33 2.10 -1.96 -1.16 116.57 118.67 1s04 h LYS 30 Ca -0.08 -0.34 0.02 0.00 -2.00 0.00 0.00 60.65 58.25 1s04 h LYS 30 Cb 1.36 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 32.60 1s04 h LYS 30 CO 0.12 1.00 -0.12 -0.09 -2.00 0.00 0.00 179.45 178.37 1s04 h ARG 31 N 0.79 -0.18 0.00 0.07 9.65 -1.87 0.30 114.38 123.14 1s04 h ARG 31 Ca 0.13 0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.99 1s04 h ARG 31 Cb 0.64 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.25 1s04 h ARG 31 CO 0.04 -0.12 -0.15 0.07 2.80 0.00 0.00 179.97 182.61 1s04 h ARG 32 N -0.19 0.00 0.00 0.20 0.11 -1.37 -1.34 114.38 111.80 1s04 h ARG 32 Ca 0.05 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.98 1s04 h ARG 32 Cb 0.26 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.31 1s04 h ARG 32 CO -0.13 0.15 -0.71 1.96 0.10 0.00 0.00 179.97 181.34 1s04 h GLN 33 N 0.00 0.00 -6.31 0.08 1.08 0.12 -3.43 115.11 106.66 1s04 h GLN 33 Ca -0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 1s04 h GLN 33 Cb 0.30 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 1s04 h GLN 33 CO 0.02 0.71 0.84 0.42 -0.95 0.00 0.00 178.83 179.88 1s04 s ILE 34 N -3.31 3.92 0.28 2.54 1.01 0.93 -5.02 121.20 121.56 1s04 s ILE 34 Ca -0.00 1.24 0.08 0.00 0.00 0.00 0.00 60.65 61.97 1s04 s ILE 34 Cb 0.12 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1s04 s ILE 34 CO 0.77 -0.03 0.20 -1.59 0.00 0.00 0.00 174.94 174.29 1s04 s LYS 35 N 2.74 2.77 -1.05 2.79 0.00 -1.26 -4.95 119.74 120.77 1s04 s LYS 35 Ca 0.61 -1.19 -0.23 0.00 0.00 0.00 0.00 55.97 55.17 1s04 s LYS 35 Cb -0.28 -2.47 0.00 0.00 0.00 0.00 0.00 37.83 35.07 1s04 s LYS 35 CO 0.24 0.30 1.73 -1.25 0.00 0.00 0.00 175.35 176.37 1s04 s PRO 36 N -3.86 3.15 0.00 1.78 0.04 -1.26 -2.87 135.00 131.97 1s04 s PRO 36 Ca 0.35 -1.00 0.00 0.00 0.04 0.00 0.00 61.00 60.39 1s04 s PRO 36 Cb -0.07 -5.27 0.00 0.00 0.04 0.00 0.00 34.50 29.20 1s04 s PRO 36 CO 0.25 -2.87 0.00 0.41 0.04 0.00 0.00 177.00 174.82 1s04 n GLY 37 N 6.47 0.34 0.58 0.56 0.00 -1.09 -4.91 105.19 107.13 1s04 n GLY 37 Ca 0.40 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.48 -3.94 1.61 8.00 -1.14 -4.81 116.55 114.79 1s04 n ASP 38 Ca 0.00 -0.49 -0.10 0.00 0.71 0.00 0.00 54.79 54.90 1s04 n ASP 38 Cb 0.00 -0.17 -0.12 0.00 -0.02 0.00 0.00 41.12 40.81 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 -1.30 0.08 -0.32 2.53 1.01 -1.26 -3.24 120.40 117.90 1s04 s VAL 39 Ca 0.12 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.57 1s04 s VAL 39 Cb -0.01 -0.17 0.09 0.00 0.00 0.00 0.00 36.38 36.29 1s04 s VAL 39 CO 0.09 -0.31 0.02 -0.63 0.00 0.00 0.00 175.10 174.27 1s04 s ILE 40 N -0.90 2.20 0.38 2.22 1.01 0.28 -2.25 121.20 124.14 1s04 s ILE 40 Ca -0.10 -2.15 -0.23 0.00 0.00 0.00 0.00 60.65 58.17 1s04 s ILE 40 Cb -0.06 -2.55 -0.10 0.00 0.01 0.00 0.00 42.46 39.75 1s04 s ILE 40 CO -0.01 -0.47 0.94 -0.94 0.00 0.00 0.00 174.94 174.46 1s04 s SER 41 N 0.97 7.10 -0.05 3.58 1.04 0.23 -2.38 113.70 124.20 1s04 s SER 41 Ca 0.06 1.74 0.03 0.00 0.48 0.00 0.00 55.95 58.26 1s04 s SER 41 Cb -0.19 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1s04 s SER 41 CO -0.08 -0.24 -0.14 -0.36 0.98 0.00 0.00 173.24 173.41 1s04 s PHE 42 N -1.94 1.47 -1.46 5.02 0.40 -0.08 -0.18 117.98 121.20 1s04 s PHE 42 Ca 0.57 -0.45 -0.10 0.00 -0.60 0.00 0.00 56.93 56.35 1s04 s PHE 42 Cb -0.13 -1.02 0.05 0.00 0.51 0.00 0.00 43.02 42.42 1s04 s PHE 42 CO 0.17 -0.18 0.88 0.39 0.70 0.00 0.00 175.22 177.18 1s04 n GLU 43 N 3.37 -5.75 0.00 0.44 -0.58 -1.12 -0.64 120.64 116.35 1s04 n GLU 43 Ca -0.19 0.72 0.00 0.00 -0.42 0.00 0.00 57.16 57.26 1s04 n GLU 43 Cb 0.53 -5.62 0.00 0.00 -0.57 0.00 0.00 31.44 25.78 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 -1.67 2.16 0.70 0.62 0.00 -1.26 -3.80 105.19 101.94 1s04 n GLY 44 Ca -0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 46.02 45.59 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 0.10 0.17 -0.02 0.00 -1.07 -4.90 105.19 99.48 1s04 n GLY 45 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.51 -3.16 1.61 3.11 -0.97 -3.43 116.57 114.24 1s04 h LYS 46 Ca -0.26 -0.56 -0.45 0.00 -2.81 0.00 0.00 60.65 56.57 1s04 h LYS 46 Cb 0.92 0.16 -0.40 0.00 -1.00 0.00 0.00 32.23 31.91 1s04 h LYS 46 CO -0.13 1.20 -0.75 -1.17 -2.81 0.00 0.00 179.45 175.78 1s04 s LEU 47 N -7.84 0.38 -0.16 5.20 1.98 -1.10 -5.00 118.68 112.15 1s04 s LEU 47 Ca -0.07 -0.48 -0.05 0.00 -2.89 0.00 0.00 54.13 50.64 1s04 s LEU 47 Cb 0.08 -0.26 -0.04 0.00 0.66 0.00 0.00 46.19 46.64 1s04 s LEU 47 CO 0.89 -0.32 0.03 -0.54 -1.89 0.00 0.00 176.35 174.51 1s04 s LYS 48 N 2.12 3.71 0.06 1.98 -0.14 -1.26 -0.90 119.74 125.31 1s04 s LYS 48 Ca 0.02 -0.39 0.03 0.00 -1.36 0.00 0.00 55.97 54.27 1s04 s LYS 48 Cb -0.15 -3.06 -0.03 0.00 -1.68 0.00 0.00 37.83 32.91 1s04 s LYS 48 CO -0.08 0.35 -0.10 0.14 -0.76 0.00 0.00 175.35 174.91 1s04 s VAL 49 N 0.11 0.79 -0.15 3.17 -7.23 -1.00 -2.48 120.40 113.60 1s04 s VAL 49 Ca 0.03 -1.27 -0.00 0.00 -1.81 0.00 0.00 61.98 58.92 1s04 s VAL 49 Cb -0.13 -0.92 0.04 0.00 0.56 0.00 0.00 36.38 35.93 1s04 s VAL 49 CO 0.01 -0.38 -0.06 -0.60 -0.31 0.00 0.00 175.10 173.77 1s04 s ARG 50 N -1.91 1.48 -0.19 4.82 3.52 -1.02 0.10 118.95 125.75 1s04 s ARG 50 Ca -0.04 -0.46 -0.40 0.00 -0.13 0.00 0.00 55.73 54.70 1s04 s ARG 50 Cb -0.08 -1.91 -0.17 0.00 -1.56 0.00 0.00 34.95 31.23 1s04 s ARG 50 CO 0.01 -0.39 1.56 0.28 -0.81 0.00 0.00 175.30 175.95 1s04 n VAL 51 N 4.89 0.15 -0.07 7.11 0.31 -1.20 -3.84 118.33 125.67 1s04 n VAL 51 Ca -0.12 -0.03 -0.21 0.00 -0.01 0.00 0.00 64.34 63.97 1s04 n VAL 51 Cb 0.48 -0.90 -0.12 0.00 -0.91 0.00 0.00 33.84 32.39 1s04 n VAL 51 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1s04 h LYS 52 N 5.80 0.07 -1.91 5.55 6.56 -1.31 -2.88 116.57 128.45 1s04 h LYS 52 Ca -0.47 -0.11 -0.03 0.00 -1.06 0.00 0.00 60.65 58.98 1s04 h LYS 52 Cb 1.34 0.04 -0.20 0.00 -0.57 0.00 0.00 32.23 32.84 1s04 h LYS 52 CO 0.89 1.05 0.26 0.00 -2.06 0.00 0.00 179.45 179.59 1s04 s ALA 53 N -2.39 -1.81 -0.07 3.86 0.00 -1.24 -4.81 121.76 115.30 1s04 s ALA 53 Ca -0.26 1.46 -0.04 0.00 0.00 0.00 0.00 51.96 53.12 1s04 s ALA 53 Cb 0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1s04 s ALA 53 CO 0.65 -0.35 0.10 -1.50 0.00 0.00 0.00 175.76 174.65 1s04 s ILE 54 N -0.97 5.02 -0.02 0.00 2.07 -1.26 -1.74 121.20 124.30 1s04 s ILE 54 Ca -0.08 -0.08 -0.05 0.00 -1.41 0.00 0.00 60.65 59.03 1s04 s ILE 54 Cb -0.01 -3.21 0.01 0.00 0.13 0.00 0.00 42.46 39.38 1s04 s ILE 54 CO 0.07 0.53 0.12 -0.13 -1.91 0.00 0.00 174.94 173.62 1s04 s ARG 55 N -1.25 0.29 0.06 3.50 1.81 -1.09 -5.00 118.95 117.28 1s04 s ARG 55 Ca 0.18 -0.10 0.09 0.00 -1.72 0.00 0.00 55.73 54.17 1s04 s ARG 55 Cb -0.12 0.13 -0.03 0.00 -0.45 0.00 0.00 34.95 34.48 1s04 s ARG 55 CO 0.07 -0.06 -0.24 0.08 -0.68 0.00 0.00 175.30 174.48 1s04 s VAL 56 N -0.61 1.92 0.33 3.52 1.01 -1.26 -0.11 120.40 125.21 1s04 s VAL 56 Ca -0.07 -1.36 0.04 0.00 0.00 0.00 0.00 61.98 60.60 1s04 s VAL 56 Cb -0.04 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 1s04 s VAL 56 CO 0.01 0.24 0.16 -1.22 0.00 0.00 0.00 175.10 174.28 1s04 n TYR 57 N 1.67 -0.10 -0.01 5.22 4.02 -0.19 -4.92 117.16 122.86 1s04 n TYR 57 Ca -0.17 -2.28 -0.16 0.00 -0.01 0.00 0.00 57.90 55.27 1s04 n TYR 57 Cb 0.53 0.06 -0.11 0.00 -0.02 0.00 0.00 39.34 39.80 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 1.49 0.35 -5.01 7.72 -1.24 -1.94 -3.32 115.58 113.63 1s04 h ASN 58 Ca -0.25 -0.77 0.01 0.00 0.71 0.00 0.00 56.30 55.99 1s04 h ASN 58 Cb 1.04 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.97 1s04 h ASN 58 CO 0.39 1.08 0.27 -0.44 -1.29 0.00 0.00 177.43 177.44 1s04 s SER 59 N -6.51 -0.06 0.25 1.15 0.01 -1.26 -4.43 113.70 102.85 1s04 s SER 59 Ca -0.15 -1.02 -0.05 0.00 1.31 0.00 0.00 55.95 56.05 1s04 s SER 59 Cb 0.02 0.82 0.28 0.00 0.21 0.00 0.00 66.02 67.35 1s04 s SER 59 CO 0.78 -1.60 1.88 -0.26 0.41 0.00 0.00 173.24 174.44 1s04 h PHE 60 N 2.00 1.16 -0.29 2.43 0.04 -1.94 -1.77 116.94 118.56 1s04 h PHE 60 Ca -0.29 -0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.50 1s04 h PHE 60 Cb 1.25 -0.37 -0.04 0.00 2.20 0.00 0.00 35.95 38.99 1s04 h PHE 60 CO 1.15 0.80 0.03 -0.09 -0.60 0.00 0.00 178.31 179.61 1s04 h ARG 61 N 1.18 0.13 -0.25 1.51 9.65 -1.96 0.75 114.38 125.39 1s04 h ARG 61 Ca 0.30 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 59.13 1s04 h ARG 61 Cb 0.03 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 1s04 h ARG 61 CO -0.05 0.08 -0.03 0.93 2.80 0.00 0.00 179.97 183.71 1s04 h GLU 62 N 0.13 0.37 0.01 0.20 3.07 -1.88 0.91 114.58 117.40 1s04 h GLU 62 Ca 0.14 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1s04 h GLU 62 Cb 0.16 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1s04 h GLU 62 CO -0.20 0.43 -0.00 0.52 -1.40 0.00 0.00 179.01 178.35 1s04 h MET 63 N 0.36 -0.01 0.00 2.33 2.86 -0.29 0.25 114.93 120.43 1s04 h MET 63 Ca 0.08 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 1s04 h MET 63 Cb 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1s04 h MET 63 CO 0.01 0.59 -0.37 -0.07 1.06 0.00 0.00 176.91 178.12 1s04 h LEU 64 N -0.61 0.00 0.01 1.22 3.38 0.63 1.38 115.31 121.32 1s04 h LEU 64 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s04 h LEU 64 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1s04 h LEU 64 CO 0.00 0.37 -0.01 -0.33 0.09 0.00 0.00 178.44 178.57 1s04 h GLU 65 N 0.00 -0.02 0.00 1.13 4.39 0.88 0.49 114.58 121.46 1s04 h GLU 65 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1s04 h GLU 65 Cb 0.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1s04 h GLU 65 CO 0.05 0.71 -0.08 -0.22 -1.16 0.00 0.00 179.01 178.30 1s04 h LYS 66 N -0.78 0.00 -0.46 2.33 1.63 -0.45 -3.38 116.57 115.46 1s04 h LYS 66 Ca -0.00 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.87 1s04 h LYS 66 Cb 0.73 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.30 1s04 h LYS 66 CO 0.00 0.00 0.13 1.49 -3.45 0.00 0.00 179.45 177.62 1s04 h GLU 67 N -0.53 0.27 0.00 1.90 4.22 0.16 -3.48 114.58 117.12 1s04 h GLU 67 Ca 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1s04 h GLU 67 Cb 0.08 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1s04 h GLU 67 CO 0.00 0.18 0.00 0.41 -2.18 0.00 0.00 179.01 177.42 1s04 n GLY 68 N -1.26 3.90 0.50 1.92 0.00 -0.20 -4.73 105.19 105.32 1s04 n GLY 68 Ca 0.04 -1.21 -0.19 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.07 -0.20 0.99 5.85 -0.32 -1.86 115.31 118.70 1s04 h LEU 69 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1s04 h LEU 69 Cb 0.00 0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1s04 h LEU 69 CO 0.00 -0.73 0.00 -0.62 -0.34 0.00 0.00 178.44 176.75 1s04 n GLU 70 N -5.61 0.04 -0.24 1.25 1.02 -1.26 0.44 120.64 116.28 1s04 n GLU 70 Ca -0.16 0.35 0.09 0.00 -0.02 0.00 0.00 57.16 57.42 1s04 n GLU 70 Cb 0.50 -1.59 0.25 0.00 -0.02 0.00 0.00 31.44 30.58 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 -1.67 2.78 0.05 1.62 5.03 -0.80 -4.22 115.26 118.05 1s04 n ASN 71 Ca 0.02 -1.96 0.00 0.00 0.87 0.00 0.00 54.58 53.51 1s04 n ASN 71 Cb 0.14 -0.31 0.00 0.00 -1.02 0.00 0.00 39.78 38.59 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 1.02 0.09 -3.93 2.41 0.31 0.01 0.14 118.33 118.39 1s04 n VAL 72 Ca 0.18 0.03 -0.32 0.00 -0.01 0.00 0.00 64.34 64.22 1s04 n VAL 72 Cb 0.45 -0.70 -0.14 0.00 -0.91 0.00 0.00 33.84 32.55 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 -5.91 4.61 -0.26 7.52 2.96 0.17 -4.57 118.68 123.20 1s04 s LEU 73 Ca 0.00 -2.72 -0.29 0.00 -0.22 0.00 0.00 54.13 50.90 1s04 s LEU 73 Cb 0.00 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 1s04 s LEU 73 CO 0.00 -0.31 1.33 -2.16 -1.32 0.00 0.00 176.35 173.89 1s04 s PRO 74 N 0.12 3.98 0.00 0.98 0.04 -1.26 -2.70 135.00 136.17 1s04 s PRO 74 Ca 0.15 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1s04 s PRO 74 Cb -0.23 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1s04 s PRO 74 CO -0.03 -1.03 0.00 0.41 0.04 0.00 0.00 177.00 176.39 1s04 n GLY 75 N 4.17 1.42 3.09 0.56 0.00 -1.26 -5.09 105.19 108.08 1s04 n GLY 75 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.09 0.00 0.04 1.61 3.14 -1.10 -4.88 118.33 117.06 1s04 n VAL 76 Ca 0.00 -0.49 -0.14 0.00 -2.96 0.00 0.00 64.34 60.75 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 -0.31 0.17 -1.86 1.45 1.57 -1.92 -3.49 116.57 112.19 1s04 h LYS 77 Ca -0.41 -0.29 0.23 0.00 -1.87 0.00 0.00 60.65 58.31 1s04 h LYS 77 Cb 1.37 0.11 -0.13 0.00 0.08 0.00 0.00 32.23 33.66 1s04 h LYS 77 CO 0.35 0.98 0.67 -1.12 -0.57 0.00 0.00 179.45 179.76 1s04 s SER 78 N -6.77 -0.16 0.24 0.86 0.01 -1.26 -4.97 113.70 101.66 1s04 s SER 78 Ca -0.08 -0.17 -0.04 0.00 1.31 0.00 0.00 55.95 56.97 1s04 s SER 78 Cb 0.07 0.29 0.43 0.00 0.21 0.00 0.00 66.02 67.02 1s04 s SER 78 CO 0.84 -0.52 1.77 0.40 0.41 0.00 0.00 173.24 176.13 1s04 h ILE 79 N 2.00 0.79 -0.56 1.44 2.04 -1.99 0.30 117.51 121.52 1s04 h ILE 79 Ca -0.23 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1s04 h ILE 79 Cb 1.21 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1s04 h ILE 79 CO 0.27 0.11 0.31 -0.33 0.00 0.00 0.00 178.15 178.51 1s04 h GLU 80 N 0.61 0.79 -0.65 2.37 4.39 -2.01 -2.30 114.58 117.78 1s04 h GLU 80 Ca 0.40 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.96 1s04 h GLU 80 Cb 0.50 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1s04 h GLU 80 CO -0.32 0.61 0.21 0.93 -1.16 0.00 0.00 179.01 179.28 1s04 h GLU 81 N 0.76 0.99 -0.36 2.33 4.39 -1.40 -2.69 114.58 118.60 1s04 h GLU 81 Ca 0.20 -0.19 0.06 0.00 0.34 0.00 0.00 59.36 59.77 1s04 h GLU 81 Cb 0.05 -0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.49 1s04 h GLU 81 CO -0.03 0.85 0.01 0.78 -1.16 0.00 0.00 179.01 179.46 1s04 h GLY 82 N 1.05 0.37 0.87 -3.84 0.00 0.04 -0.56 103.07 100.99 1s04 h GLY 82 Ca 0.21 0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.61 1s04 h GLY 82 CO -0.01 -0.07 0.62 -2.22 0.00 0.00 0.00 176.54 174.86 1s04 h ILE 83 N 0.11 1.16 -0.86 2.60 5.03 -1.21 -0.67 117.51 123.67 1s04 h ILE 83 Ca 0.17 -0.41 0.05 0.00 -0.12 0.00 0.00 64.86 64.55 1s04 h ILE 83 Cb 0.23 -0.15 -0.05 0.00 -3.03 0.00 0.00 36.82 33.82 1s04 h ILE 83 CO -0.28 0.22 0.56 1.56 -0.68 0.00 0.00 178.15 179.53 1s04 h GLN 84 N 1.20 0.98 0.04 2.37 1.08 -0.84 0.98 115.11 120.93 1s04 h GLN 84 Ca 0.38 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.52 1s04 h GLN 84 Cb 0.01 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.22 1s04 h GLN 84 CO -0.13 0.65 -0.02 0.28 -0.95 0.00 0.00 178.83 178.66 1s04 h VAL 85 N 1.01 1.12 -0.30 -0.54 2.07 0.07 0.53 116.25 120.22 1s04 h VAL 85 Ca 0.36 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 1s04 h VAL 85 Cb 0.12 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1s04 h VAL 85 CO -0.12 0.14 -0.15 1.88 0.02 0.00 0.00 177.57 179.34 1s04 h TYR 86 N -0.30 0.56 -0.01 1.57 0.05 -0.66 -2.42 116.97 115.75 1s04 h TYR 86 Ca -0.01 -0.09 -0.15 0.00 0.05 0.00 0.00 58.73 58.53 1s04 h TYR 86 Cb 0.27 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.85 1s04 h TYR 86 CO 0.01 0.65 -0.69 -0.09 -1.05 0.00 0.00 178.16 176.99 1s04 h ARG 87 N 0.47 0.07 0.31 4.88 1.12 0.12 0.50 114.38 121.86 1s04 h ARG 87 Ca 0.08 -0.06 -0.02 0.00 -1.11 0.00 0.00 59.98 58.88 1s04 h ARG 87 Cb 0.54 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.52 1s04 h ARG 87 CO 0.03 0.73 -0.15 0.00 -3.11 0.00 0.00 179.97 177.47 1s04 h ARG 88 N 0.05 -0.41 0.01 0.20 3.08 0.54 -3.31 114.38 114.54 1s04 h ARG 88 Ca -0.01 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1s04 h ARG 88 Cb 1.22 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1s04 h ARG 88 CO 0.09 -0.21 -0.07 0.74 -1.07 0.00 0.00 179.97 179.45 1s04 h PHE 89 N -0.52 0.05 -3.07 3.04 0.04 -1.51 -3.45 116.94 111.52 1s04 h PHE 89 Ca -0.04 -0.04 -0.60 0.00 2.80 0.00 0.00 57.97 60.09 1s04 h PHE 89 Cb 0.39 -0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.48 1s04 h PHE 89 CO -0.03 0.99 -0.22 0.71 -0.60 0.00 0.00 178.31 179.16 1s04 s TYR 90 N -2.39 3.66 0.44 -0.55 2.02 0.18 -5.06 117.35 115.64 1s04 s TYR 90 Ca -0.18 0.90 -0.24 0.00 -0.37 0.00 0.00 57.07 57.18 1s04 s TYR 90 Cb -0.02 -2.23 -0.08 0.00 -0.40 0.00 0.00 41.96 39.23 1s04 s TYR 90 CO 0.70 0.58 1.21 -0.51 -1.57 0.00 0.00 175.55 175.96 1s04 s ASP 91 N -1.41 6.22 0.29 2.29 1.11 -1.26 -3.84 116.67 120.06 1s04 s ASP 91 Ca 0.28 2.41 0.14 0.00 0.18 0.00 0.00 52.55 55.57 1s04 s ASP 91 Cb -0.15 -2.61 0.34 0.00 1.07 0.00 0.00 42.92 41.56 1s04 s ASP 91 CO 0.16 -0.89 1.58 -0.08 1.18 0.00 0.00 175.17 177.11 1s04 h GLU 92 N 2.27 0.00 0.14 8.23 4.81 -1.92 -2.17 114.58 125.94 1s04 h GLU 92 Ca -0.49 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1s04 h GLU 92 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1s04 h GLU 92 CO 0.61 0.57 -0.07 1.49 -0.73 0.00 0.00 179.01 180.88 1s04 h GLU 93 N 0.00 -0.18 -0.74 1.92 4.81 -1.96 0.15 114.58 118.58 1s04 h GLU 93 Ca -0.01 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1s04 h GLU 93 Cb 1.18 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.53 1s04 h GLU 93 CO 0.07 0.27 0.41 0.87 -0.73 0.00 0.00 179.01 179.90 1s04 h LYS 94 N -0.88 0.70 -0.04 1.92 1.79 -1.97 0.29 116.57 118.39 1s04 h LYS 94 Ca -0.02 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1s04 h LYS 94 Cb 0.53 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1s04 h LYS 94 CO 0.03 0.47 0.01 1.49 -1.08 0.00 0.00 179.45 180.37 1s04 h GLU 95 N 0.72 0.07 0.00 3.15 4.22 -1.45 -1.61 114.58 119.68 1s04 h GLU 95 Ca 0.34 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.77 1s04 h GLU 95 Cb 0.27 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1s04 h GLU 95 CO -0.22 0.27 0.00 1.63 -2.18 0.00 0.00 179.01 178.51 1s04 n LYS 96 N -4.94 0.15 0.08 1.92 4.76 0.04 0.20 118.16 120.36 1s04 n LYS 96 Ca -0.07 0.55 -0.06 0.00 -2.87 0.00 0.00 58.31 55.86 1s04 n LYS 96 Cb 0.14 -1.89 -0.03 0.00 -1.84 0.00 0.00 35.03 31.40 1s04 n LYS 96 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1s04 h LYS 97 N 0.00 -0.29 0.00 1.97 3.64 0.52 -3.42 116.57 118.99 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 0.14 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1s04 h LYS 97 CO 0.00 -0.12 -1.55 0.66 -2.27 0.00 0.00 179.45 176.17 1s04 n TYR 98 N -4.97 0.26 0.00 1.91 4.01 -0.93 -5.10 117.16 112.34 1s04 n TYR 98 Ca -0.05 0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 1s04 n TYR 98 Cb 0.15 -0.80 0.00 0.00 -0.31 0.00 0.00 39.34 38.38 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 0.63 3.62 2.72 0.00 0.52 -4.99 105.19 109.10 1s04 n GLY 99 Ca -0.31 -1.99 -0.26 0.00 0.00 0.00 0.00 46.02 43.46 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 -1.60 3.46 -0.21 1.61 1.01 -1.25 -2.54 120.40 120.88 1s04 s VAL 100 Ca 0.00 -1.61 -0.03 0.00 0.00 0.00 0.00 61.98 60.34 1s04 s VAL 100 Cb 0.00 -2.75 0.07 0.00 0.00 0.00 0.00 36.38 33.70 1s04 s VAL 100 CO 0.00 -0.16 0.06 0.54 0.00 0.00 0.00 175.10 175.54 1s04 s VAL 101 N -1.82 0.39 -0.78 2.92 0.11 0.16 -1.02 120.40 120.35 1s04 s VAL 101 Ca 0.27 -0.58 -0.26 0.00 -2.93 0.00 0.00 61.98 58.48 1s04 s VAL 101 Cb -0.09 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.80 1s04 s VAL 101 CO 0.17 -0.32 1.28 0.00 -3.33 0.00 0.00 175.10 172.90 1s04 s ALA 102 N 1.91 2.79 -0.38 1.54 0.00 0.85 -2.87 121.76 125.60 1s04 s ALA 102 Ca 0.02 -1.59 -0.17 0.00 0.00 0.00 0.00 51.96 50.21 1s04 s ALA 102 Cb -0.17 -4.27 0.00 0.00 0.00 0.00 0.00 23.12 18.69 1s04 s ALA 102 CO -0.12 -3.29 0.47 0.42 0.00 0.00 0.00 175.76 173.23 1s04 s ILE 103 N 5.39 5.06 -0.40 0.00 1.09 -0.13 -2.67 121.20 129.55 1s04 s ILE 103 Ca 0.36 0.03 -0.28 0.00 -1.10 0.00 0.00 60.65 59.66 1s04 s ILE 103 Cb -0.07 -3.98 -0.02 0.00 -1.06 0.00 0.00 42.46 37.33 1s04 s ILE 103 CO 0.10 -0.29 1.87 -0.70 -0.10 0.00 0.00 174.94 175.82 1s04 s GLU 104 N 2.27 3.08 0.06 2.79 2.12 -0.71 -3.53 118.70 124.76 1s04 s GLU 104 Ca 0.15 1.26 -0.04 0.00 0.36 0.00 0.00 54.97 56.70 1s04 s GLU 104 Cb -0.16 -4.28 -0.05 0.00 0.26 0.00 0.00 34.13 29.91 1s04 s GLU 104 CO 0.14 -2.17 0.28 0.96 -0.54 0.00 0.00 175.26 173.93 1s04 s ILE 105 N 7.82 5.29 -0.24 -3.70 -5.25 -1.26 -0.78 121.20 123.07 1s04 s ILE 105 Ca 0.79 -0.00 -0.03 0.00 -0.99 0.00 0.00 60.65 60.42 1s04 s ILE 105 Cb -0.20 -3.60 0.13 0.00 2.95 0.00 0.00 42.46 41.74 1s04 s ILE 105 CO 0.30 0.22 0.33 -0.70 -1.79 0.00 0.00 174.94 173.31 1s04 s GLU 106 N -2.18 0.31 -0.15 0.37 2.12 -1.25 -4.16 118.70 113.77 1s04 s GLU 106 Ca 0.33 0.37 -0.29 0.00 0.36 0.00 0.00 54.97 55.73 1s04 s GLU 106 Cb -0.13 -0.67 -0.02 0.00 0.26 0.00 0.00 34.13 33.58 1s04 s GLU 106 CO 0.21 -0.70 1.27 -1.25 -0.54 0.00 0.00 175.26 174.24 1s04 s PRO 107 N 2.48 4.25 -1.15 4.30 0.04 -1.26 -2.44 135.00 141.21 1s04 s PRO 107 Ca 0.11 1.68 -0.09 0.00 0.04 0.00 0.00 61.00 62.74 1s04 s PRO 107 Cb -0.15 -3.74 0.25 0.00 0.04 0.00 0.00 34.50 30.89 1s04 s PRO 107 CO -0.17 -0.68 1.38 1.47 0.04 0.00 0.00 177.00 179.04 1s04 n LEU 108 N 6.44 5.82 0.00 -3.56 -0.00 -1.04 -4.88 117.00 119.79 1s04 n LEU 108 Ca 0.14 -4.89 0.00 0.00 -0.00 0.00 0.00 56.01 51.25 1s04 n LEU 108 Cb 0.45 -1.46 0.00 0.00 -0.00 0.00 0.00 43.42 42.40 1s04 n LEU 108 CO 0.56 1.29 0.00 1.21 -0.00 0.00 0.00 177.39 180.45 1s04 n GLU 109 N 3.21 0.00 0.00 1.47 4.07 -1.26 -4.93 120.64 123.20 1s04 n GLU 109 Ca 0.30 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.53 1s04 n GLU 109 Cb 0.38 0.00 0.29 0.00 -0.06 0.00 0.00 31.44 32.05 1s04 n GLU 109 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05