#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 1.83 -0.01 2.12 2.12 -1.26 -4.41 118.70 119.09 1s04 s GLU 2 Ca 0.00 -1.58 -0.01 0.00 0.36 0.00 0.00 54.97 53.74 1s04 s GLU 2 Cb 0.00 -1.92 0.00 0.00 0.26 0.00 0.00 34.13 32.47 1s04 s GLU 2 CO 0.00 0.37 0.04 -1.58 -0.54 0.00 0.00 175.26 173.54 1s04 s TRP 3 N -2.19 -0.04 -0.02 5.30 0.52 -1.07 -5.04 118.94 116.41 1s04 s TRP 3 Ca 0.28 0.10 0.05 0.00 0.02 0.00 0.00 56.10 56.54 1s04 s TRP 3 Cb -0.06 0.01 -0.01 0.00 -1.15 0.00 0.00 33.47 32.26 1s04 s TRP 3 CO 0.15 -0.02 -0.16 -1.83 0.02 0.00 0.00 176.95 175.11 1s04 s GLU 4 N 0.02 1.39 -0.22 4.98 1.03 -1.26 0.23 118.70 124.87 1s04 s GLU 4 Ca -0.00 -0.56 -0.04 0.00 0.03 0.00 0.00 54.97 54.40 1s04 s GLU 4 Cb -0.00 -1.30 0.12 0.00 -0.80 0.00 0.00 34.13 32.14 1s04 s GLU 4 CO 0.00 0.30 0.35 -1.64 -1.33 0.00 0.00 175.26 172.95 1s04 s MET 5 N -0.23 0.31 0.56 -4.83 -1.94 0.85 -4.93 119.30 109.09 1s04 s MET 5 Ca 0.03 0.56 -0.14 0.00 -1.71 0.00 0.00 55.69 54.43 1s04 s MET 5 Cb -0.08 -0.46 -0.06 0.00 2.01 0.00 0.00 34.83 36.24 1s04 s MET 5 CO 0.00 -0.57 1.01 0.20 -0.01 0.00 0.00 175.02 175.65 1s04 s GLY 6 N 2.51 1.91 0.13 -0.03 0.00 -1.26 -3.54 107.32 107.03 1s04 s GLY 6 Ca 0.09 0.09 -0.21 0.00 0.00 0.00 0.00 44.72 44.68 1s04 s GLY 6 CO -0.14 0.36 1.01 1.47 0.00 0.00 0.00 173.10 175.79 1s04 n LEU 7 N -2.07 0.00 -4.80 0.66 -0.00 -1.26 -4.88 117.00 104.65 1s04 n LEU 7 Ca 0.06 -1.13 -0.32 0.00 -0.00 0.00 0.00 56.01 54.62 1s04 n LEU 7 Cb 0.54 2.40 0.05 0.00 -0.00 0.00 0.00 43.42 46.41 1s04 n LEU 7 CO 0.51 -0.38 0.71 -1.10 -0.00 0.00 0.00 177.39 177.14 1s04 s GLN 8 N -2.04 2.91 0.24 1.47 -1.52 -1.26 -4.88 119.66 114.58 1s04 s GLN 8 Ca 0.23 1.12 -0.06 0.00 -1.95 0.00 0.00 55.36 54.71 1s04 s GLN 8 Cb -0.02 -1.98 0.25 0.00 -0.22 0.00 0.00 33.01 31.04 1s04 s GLN 8 CO 0.04 -1.13 1.84 1.49 -0.25 0.00 0.00 175.29 177.27 1s04 h GLU 9 N -0.35 1.15 -0.43 2.91 4.81 -2.02 -1.98 114.58 118.67 1s04 h GLU 9 Ca -0.45 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 58.63 1s04 h GLU 9 Cb 1.22 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 1s04 h GLU 9 CO 0.56 0.89 0.26 1.49 -0.73 0.00 0.00 179.01 181.47 1s04 h GLU 10 N 1.14 0.51 0.00 1.92 4.81 -2.00 -1.15 114.58 119.81 1s04 h GLU 10 Ca 0.27 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 1s04 h GLU 10 Cb 0.12 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 1s04 h GLU 10 CO -0.03 0.33 -0.15 0.74 -0.73 0.00 0.00 179.01 179.17 1s04 h PHE 11 N 0.52 0.00 0.07 0.92 -1.00 -1.84 -1.53 116.94 114.08 1s04 h PHE 11 Ca 0.17 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.94 1s04 h PHE 11 Cb -0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1s04 h PHE 11 CO -0.07 0.15 -0.03 -0.07 -1.61 0.00 0.00 178.31 176.68 1s04 h LEU 12 N 0.00 -0.08 -1.76 1.54 3.38 -0.51 -2.49 115.31 115.39 1s04 h LEU 12 Ca -0.00 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1s04 h LEU 12 Cb 0.28 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1s04 h LEU 12 CO 0.02 0.30 0.16 -0.08 0.09 0.00 0.00 178.44 178.93 1s04 h GLU 13 N -0.47 0.32 -0.41 1.13 4.57 -0.93 -1.55 114.58 117.24 1s04 h GLU 13 Ca -0.01 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1s04 h GLU 13 Cb 0.40 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 1s04 h GLU 13 CO 0.02 0.21 0.25 -0.07 -1.18 0.00 0.00 179.01 178.24 1s04 h LEU 14 N 0.33 0.50 -1.12 1.64 3.38 -1.08 -1.66 115.31 117.29 1s04 h LEU 14 Ca 0.09 -0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.09 1s04 h LEU 14 Cb -0.04 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 1s04 h LEU 14 CO -0.02 0.41 0.60 0.40 0.09 0.00 0.00 178.44 179.92 1s04 h ILE 15 N 0.55 1.01 0.00 1.22 5.03 -0.83 0.45 117.51 124.93 1s04 h ILE 15 Ca 0.15 -0.34 -0.02 0.00 -0.12 0.00 0.00 64.86 64.53 1s04 h ILE 15 Cb -0.00 -0.07 -0.00 0.00 -3.03 0.00 0.00 36.82 33.72 1s04 h ILE 15 CO -0.03 0.18 -0.09 0.50 -0.68 0.00 0.00 178.15 178.03 1s04 h LYS 16 N 0.99 0.00 0.00 2.37 1.63 -1.04 0.42 116.57 120.94 1s04 h LYS 16 Ca 0.42 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 60.16 1s04 h LYS 16 Cb 0.32 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 1s04 h LYS 16 CO -0.18 0.09 -0.78 -0.07 -3.45 0.00 0.00 179.45 175.06 1s04 h LEU 17 N 0.00 0.00 0.00 5.20 3.38 0.26 -3.20 115.31 120.95 1s04 h LEU 17 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s04 h LEU 17 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1s04 h LEU 17 CO 0.01 0.23 0.00 0.54 0.09 0.00 0.00 178.44 179.32 1s04 n ARG 18 N -2.93 0.89 0.04 1.13 1.74 0.61 -2.89 116.66 115.25 1s04 n ARG 18 Ca -0.01 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.17 1s04 n ARG 18 Cb 0.65 -1.43 0.41 0.00 -1.02 0.00 0.00 32.46 31.08 1s04 n ARG 18 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1s04 n LYS 19 N -0.93 0.08 0.00 5.56 0.00 -1.06 -2.29 118.16 119.51 1s04 n LYS 19 Ca 0.18 0.26 0.00 0.00 0.00 0.00 0.00 58.31 58.75 1s04 n LYS 19 Cb 0.08 -1.63 0.00 0.00 0.00 0.00 0.00 35.03 33.49 1s04 n LYS 19 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1s04 n LYS 20 N -1.77 0.31 0.00 1.64 5.02 -1.14 -5.00 118.16 117.23 1s04 n LYS 20 Ca 0.04 -0.62 0.00 0.00 -2.02 0.00 0.00 58.31 55.71 1s04 n LYS 20 Cb 0.23 -0.82 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 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 -0.12 0.00 -3.79 1.97 4.76 -0.97 -5.07 118.16 114.93 1s04 n LYS 21 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 1s04 n LYS 21 Cb 0.18 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.37 1s04 n LYS 21 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1s04 s ILE 22 N 2.36 0.00 -0.08 -0.18 -1.09 0.37 -4.94 121.20 117.63 1s04 s ILE 22 Ca 0.00 -0.64 -0.03 0.00 -2.23 0.00 0.00 60.65 57.74 1s04 s ILE 22 Cb 0.00 -2.32 0.05 0.00 -1.58 0.00 0.00 42.46 38.60 1s04 s ILE 22 CO 0.00 0.00 0.17 -0.70 -1.23 0.00 0.00 174.94 173.18 1s04 s GLU 23 N -2.85 0.09 0.24 2.79 2.12 -1.03 -4.20 118.70 115.85 1s04 s GLU 23 Ca 0.16 0.50 0.04 0.00 0.36 0.00 0.00 54.97 56.02 1s04 s GLU 23 Cb -0.02 -0.19 -0.05 0.00 0.26 0.00 0.00 34.13 34.13 1s04 s GLU 23 CO 0.03 -0.23 -0.00 0.20 -0.54 0.00 0.00 175.26 174.72 1s04 s GLY 24 N 1.71 1.61 0.00 -1.50 0.00 -1.26 0.14 107.32 108.02 1s04 s GLY 24 Ca -0.04 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 42.89 1s04 s GLY 24 CO -0.06 -1.69 0.00 -0.96 0.00 0.00 0.00 173.10 170.39 1s04 n ARG 25 N -0.45 0.00 -1.15 2.90 1.85 -1.16 -4.95 116.66 113.71 1s04 n ARG 25 Ca -0.05 0.00 -0.53 0.00 -1.00 0.00 0.00 57.85 56.27 1s04 n ARG 25 Cb 0.64 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.95 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 0.70 -4.57 2.89 7.94 -1.26 -3.14 117.00 119.56 1s04 n LEU 26 Ca 0.00 0.65 -0.52 0.00 -1.11 0.00 0.00 56.01 55.02 1s04 n LEU 26 Cb 0.00 -0.78 -0.07 0.00 0.53 0.00 0.00 43.42 43.10 1s04 n LEU 26 CO 0.00 -0.68 1.59 0.00 -1.11 0.00 0.00 177.39 177.19 1s04 n TYR 27 N 6.17 1.89 -3.60 1.96 4.19 -0.28 -4.87 117.16 122.62 1s04 n TYR 27 Ca 0.45 0.30 -0.15 0.00 3.31 0.00 0.00 57.90 61.81 1s04 n TYR 27 Cb -0.04 -2.54 0.01 0.00 0.49 0.00 0.00 39.34 37.26 1s04 n TYR 27 CO 0.00 0.00 0.00 -0.25 0.91 0.00 0.00 176.86 177.52 1s04 n ASP 28 N 7.82 1.92 -0.11 2.98 8.00 -1.26 -4.74 116.55 131.16 1s04 n ASP 28 Ca 0.33 -2.12 -0.13 0.00 0.71 0.00 0.00 54.79 53.58 1s04 n ASP 28 Cb 0.21 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.22 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 0.93 -0.66 -1.24 5.08 -2.00 -2.55 114.58 114.13 1s04 h GLU 29 Ca -0.20 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 57.64 1s04 h GLU 29 Cb 0.78 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 1s04 h GLU 29 CO 0.32 1.16 0.39 0.87 -1.00 0.00 0.00 179.01 180.75 1s04 h LYS 30 N 0.75 0.90 -0.71 2.33 1.79 -1.99 -2.21 116.57 117.44 1s04 h LYS 30 Ca 0.05 -0.09 0.03 0.00 -2.18 0.00 0.00 60.65 58.46 1s04 h LYS 30 Cb 1.02 -0.19 -0.04 0.00 -1.58 0.00 0.00 32.23 31.44 1s04 h LYS 30 CO 0.10 0.66 0.44 -0.09 -1.08 0.00 0.00 179.45 179.48 1s04 h ARG 31 N 0.90 0.85 -0.94 3.15 9.65 -1.89 -1.23 114.38 124.86 1s04 h ARG 31 Ca 0.24 -0.05 0.12 0.00 -1.10 0.00 0.00 59.98 59.19 1s04 h ARG 31 Cb -0.01 -0.19 -0.08 0.00 -1.39 0.00 0.00 29.97 28.30 1s04 h ARG 31 CO -0.04 0.56 0.57 0.00 2.80 0.00 0.00 179.97 183.86 1s04 h ARG 32 N 0.87 0.87 0.00 0.20 3.08 -0.98 0.30 114.38 118.71 1s04 h ARG 32 Ca 0.28 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.21 1s04 h ARG 32 Cb 0.01 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 1s04 h ARG 32 CO -0.10 0.57 -0.31 1.96 -1.07 0.00 0.00 179.97 181.02 1s04 h GLN 33 N 0.89 0.00 -6.83 0.04 4.20 -0.95 -3.43 115.11 109.03 1s04 h GLN 33 Ca 0.48 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.69 1s04 h GLN 33 Cb 0.51 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.30 1s04 h GLN 33 CO -0.28 0.31 0.46 0.42 -0.67 0.00 0.00 178.83 179.07 1s04 s ILE 34 N -3.63 3.55 0.13 2.54 1.01 0.10 -5.05 121.20 119.86 1s04 s ILE 34 Ca 0.00 1.49 0.01 0.00 0.00 0.00 0.00 60.65 62.16 1s04 s ILE 34 Cb 0.11 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1s04 s ILE 34 CO 0.67 0.30 -0.02 -1.59 0.00 0.00 0.00 174.94 174.30 1s04 s LYS 35 N -1.63 0.95 -0.71 2.79 -2.85 -1.26 -4.94 119.74 112.09 1s04 s LYS 35 Ca 0.47 -1.43 -0.26 0.00 -1.00 0.00 0.00 55.97 53.75 1s04 s LYS 35 Cb -0.30 -0.14 0.00 0.00 -2.06 0.00 0.00 37.83 35.33 1s04 s LYS 35 CO 0.38 -0.10 1.58 -1.25 0.10 0.00 0.00 175.35 176.06 1s04 s PRO 36 N -3.90 2.93 0.00 1.78 0.04 -1.26 -2.92 135.00 131.66 1s04 s PRO 36 Ca 0.18 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.30 1s04 s PRO 36 Cb 0.06 -4.39 0.00 0.00 0.04 0.00 0.00 34.50 30.21 1s04 s PRO 36 CO -0.01 -2.48 0.00 0.41 0.04 0.00 0.00 177.00 174.96 1s04 n GLY 37 N 5.69 0.64 2.36 0.56 0.00 -0.68 -4.82 105.19 108.95 1s04 n GLY 37 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.70 -4.00 1.61 9.92 -1.15 -4.83 116.55 117.40 1s04 n ASP 38 Ca 0.00 -1.14 -0.13 0.00 -0.53 0.00 0.00 54.79 52.99 1s04 n ASP 38 Cb 0.00 -0.64 -0.13 0.00 -0.64 0.00 0.00 41.12 39.71 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 -2.60 0.41 -0.17 2.53 1.01 -1.26 -2.85 120.40 117.47 1s04 s VAL 39 Ca 0.47 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1s04 s VAL 39 Cb -0.03 -0.43 0.03 0.00 0.00 0.00 0.00 36.38 35.95 1s04 s VAL 39 CO 0.34 -0.20 -0.13 -0.63 0.00 0.00 0.00 175.10 174.49 1s04 s ILE 40 N -0.85 1.63 -0.07 2.22 1.09 0.46 -2.58 121.20 123.09 1s04 s ILE 40 Ca -0.06 -0.80 -0.15 0.00 -1.10 0.00 0.00 60.65 58.54 1s04 s ILE 40 Cb -0.06 -1.60 -0.05 0.00 -1.06 0.00 0.00 42.46 39.69 1s04 s ILE 40 CO 0.00 0.35 0.37 -0.55 -0.10 0.00 0.00 174.94 175.01 1s04 s SER 41 N 1.44 6.67 -0.13 3.58 0.15 0.14 -1.13 113.70 124.42 1s04 s SER 41 Ca 0.02 0.80 -0.01 0.00 0.70 0.00 0.00 55.95 57.47 1s04 s SER 41 Cb -0.14 -2.23 -0.02 0.00 -1.71 0.00 0.00 66.02 61.92 1s04 s SER 41 CO -0.10 0.22 -0.10 -0.36 1.20 0.00 0.00 173.24 174.10 1s04 s PHE 42 N -0.43 2.86 -1.24 3.44 0.08 0.18 -0.10 117.98 122.77 1s04 s PHE 42 Ca 0.22 -0.48 -0.00 0.00 0.12 0.00 0.00 56.93 56.78 1s04 s PHE 42 Cb -0.15 -1.85 0.00 0.00 -0.57 0.00 0.00 43.02 40.45 1s04 s PHE 42 CO 0.10 -0.11 0.92 0.39 -0.10 0.00 0.00 175.22 176.42 1s04 n GLU 43 N 3.37 -6.17 0.00 0.44 -0.58 -1.23 0.13 120.64 116.60 1s04 n GLU 43 Ca -0.18 0.78 0.00 0.00 -0.42 0.00 0.00 57.16 57.34 1s04 n GLU 43 Cb 0.53 -5.67 0.00 0.00 -0.57 0.00 0.00 31.44 25.73 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 -1.28 1.72 0.77 0.62 0.00 -1.26 -3.24 105.19 102.51 1s04 n GLY 44 Ca -0.28 -0.12 -0.02 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 -0.12 0.19 -0.02 0.00 -1.13 -4.88 105.19 99.23 1s04 n GLY 45 Ca 0.00 -0.00 -0.20 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 0.02 0.69 -3.46 1.61 3.11 -0.28 -3.43 116.57 114.83 1s04 h LYS 46 Ca -0.20 -0.75 -0.44 0.00 -2.81 0.00 0.00 60.65 56.44 1s04 h LYS 46 Cb 0.85 0.22 -0.39 0.00 -1.00 0.00 0.00 32.23 31.90 1s04 h LYS 46 CO -0.10 1.33 -0.76 -1.17 -2.81 0.00 0.00 179.45 175.94 1s04 s LEU 47 N -8.11 0.56 -0.18 5.20 1.98 -0.94 -4.97 118.68 112.23 1s04 s LEU 47 Ca -0.10 -0.30 -0.04 0.00 -2.89 0.00 0.00 54.13 50.80 1s04 s LEU 47 Cb 0.07 -0.37 -0.02 0.00 0.66 0.00 0.00 46.19 46.53 1s04 s LEU 47 CO 0.92 -0.26 -0.03 -0.54 -1.89 0.00 0.00 176.35 174.55 1s04 s LYS 48 N 2.03 3.60 0.08 1.98 -0.14 -1.26 0.47 119.74 126.50 1s04 s LYS 48 Ca 0.03 -0.54 0.05 0.00 -1.36 0.00 0.00 55.97 54.15 1s04 s LYS 48 Cb -0.14 -2.98 -0.03 0.00 -1.68 0.00 0.00 37.83 33.00 1s04 s LYS 48 CO -0.06 0.10 -0.12 0.14 -0.76 0.00 0.00 175.35 174.64 1s04 s VAL 49 N 0.75 1.04 -0.07 3.17 -7.23 -0.28 -1.87 120.40 115.91 1s04 s VAL 49 Ca -0.01 -1.43 0.01 0.00 -1.81 0.00 0.00 61.98 58.74 1s04 s VAL 49 Cb -0.14 -1.16 0.02 0.00 0.56 0.00 0.00 36.38 35.65 1s04 s VAL 49 CO 0.02 -0.35 -0.09 -0.60 -0.31 0.00 0.00 175.10 173.77 1s04 s ARG 50 N -2.12 1.37 0.49 4.82 3.00 -0.71 0.17 118.95 125.97 1s04 s ARG 50 Ca 0.01 -0.27 -0.24 0.00 -1.00 0.00 0.00 55.73 54.23 1s04 s ARG 50 Cb -0.07 -1.26 -0.07 0.00 0.00 0.00 0.00 34.95 33.55 1s04 s ARG 50 CO 0.02 -0.08 1.40 0.28 0.00 0.00 0.00 175.30 176.92 1s04 n VAL 51 N 4.16 3.25 -0.05 7.11 0.31 -1.13 -2.30 118.33 129.67 1s04 n VAL 51 Ca -0.21 -0.50 -0.07 0.00 -0.01 0.00 0.00 64.34 63.55 1s04 n VAL 51 Cb 0.51 -1.76 -0.04 0.00 -0.91 0.00 0.00 33.84 31.64 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 -0.54 0.24 -3.53 5.55 4.76 -0.21 -1.68 118.16 122.75 1s04 n LYS 52 Ca 0.08 0.06 -0.13 0.00 -2.87 0.00 0.00 58.31 55.44 1s04 n LYS 52 Cb 0.43 -1.15 -0.05 0.00 -1.84 0.00 0.00 35.03 32.42 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 -2.19 -1.82 0.08 7.82 0.00 -1.26 -4.71 121.76 119.67 1s04 s ALA 53 Ca -0.13 1.30 0.03 0.00 0.00 0.00 0.00 51.96 53.16 1s04 s ALA 53 Cb 0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1s04 s ALA 53 CO 0.22 -0.43 0.09 -1.50 0.00 0.00 0.00 175.76 174.14 1s04 s ILE 54 N -1.65 4.59 -0.20 0.00 2.07 -1.26 -2.14 121.20 122.61 1s04 s ILE 54 Ca -0.04 -0.75 -0.15 0.00 -1.41 0.00 0.00 60.65 58.30 1s04 s ILE 54 Cb -0.00 -3.21 0.06 0.00 0.13 0.00 0.00 42.46 39.43 1s04 s ILE 54 CO 0.02 0.12 0.51 -0.13 -1.91 0.00 0.00 174.94 173.56 1s04 s ARG 55 N -2.41 0.56 0.08 3.50 0.52 -1.15 -4.99 118.95 115.06 1s04 s ARG 55 Ca 0.30 0.80 0.08 0.00 -0.52 0.00 0.00 55.73 56.39 1s04 s ARG 55 Cb -0.12 0.19 -0.04 0.00 0.52 0.00 0.00 34.95 35.50 1s04 s ARG 55 CO 0.22 -0.10 -0.18 0.08 0.02 0.00 0.00 175.30 175.34 1s04 s VAL 56 N 0.75 2.84 0.40 3.52 1.01 -1.26 0.12 120.40 127.78 1s04 s VAL 56 Ca -0.04 -1.33 0.05 0.00 0.00 0.00 0.00 61.98 60.66 1s04 s VAL 56 Cb -0.05 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1s04 s VAL 56 CO -0.06 0.22 0.18 -0.31 0.00 0.00 0.00 175.10 175.13 1s04 s TYR 57 N -1.04 1.78 -0.02 5.22 1.51 0.35 -4.92 117.35 120.23 1s04 s TYR 57 Ca 0.16 -1.43 -0.22 0.00 -1.01 0.00 0.00 57.07 54.58 1s04 s TYR 57 Cb -0.11 -1.03 -0.25 0.00 -0.11 0.00 0.00 41.96 40.47 1s04 s TYR 57 CO 0.08 -0.49 1.04 -0.97 -1.11 0.00 0.00 175.55 174.10 1s04 h ASN 58 N 1.84 0.41 -5.17 2.29 -1.24 -1.97 -3.31 115.58 108.44 1s04 h ASN 58 Ca -0.32 -0.80 -0.03 0.00 0.71 0.00 0.00 56.30 55.87 1s04 h ASN 58 Cb 1.26 -0.13 -0.07 0.00 0.73 0.00 0.00 38.32 40.12 1s04 h ASN 58 CO 0.49 1.16 0.01 -0.44 -1.29 0.00 0.00 177.43 177.36 1s04 s SER 59 N -6.63 -0.07 0.27 1.15 0.01 -1.26 -4.55 113.70 102.61 1s04 s SER 59 Ca -0.14 -0.88 -0.03 0.00 1.31 0.00 0.00 55.95 56.21 1s04 s SER 59 Cb 0.02 0.65 0.35 0.00 0.21 0.00 0.00 66.02 67.26 1s04 s SER 59 CO 0.79 -1.25 1.85 -0.26 0.41 0.00 0.00 173.24 174.78 1s04 h PHE 60 N 2.15 0.98 -0.70 2.43 0.04 -1.93 -2.45 116.94 117.46 1s04 h PHE 60 Ca -0.24 -0.06 0.06 0.00 2.80 0.00 0.00 57.97 60.53 1s04 h PHE 60 Cb 1.25 -0.30 -0.06 0.00 2.20 0.00 0.00 35.95 39.04 1s04 h PHE 60 CO 0.54 0.75 0.40 -0.09 -0.60 0.00 0.00 178.31 179.31 1s04 h ARG 61 N 0.96 0.71 -0.29 1.51 2.43 -1.96 0.54 114.38 118.28 1s04 h ARG 61 Ca 0.23 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1s04 h ARG 61 Cb 0.18 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1s04 h ARG 61 CO -0.02 0.47 0.02 0.93 -1.51 0.00 0.00 179.97 179.85 1s04 h GLU 62 N 0.73 0.44 -0.01 0.20 4.39 -1.86 1.44 114.58 119.91 1s04 h GLU 62 Ca 0.31 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.88 1s04 h GLU 62 Cb 0.19 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1s04 h GLU 62 CO -0.18 0.45 -0.22 0.52 -1.16 0.00 0.00 179.01 178.42 1s04 h MET 63 N 0.42 0.17 -0.07 2.33 2.86 -0.73 0.40 114.93 120.31 1s04 h MET 63 Ca 0.10 -0.17 -0.13 0.00 -2.06 0.00 0.00 59.70 57.44 1s04 h MET 63 Cb 0.26 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1s04 h MET 63 CO 0.01 0.89 -0.55 -0.07 1.06 0.00 0.00 176.91 178.25 1s04 h LEU 64 N -0.49 0.23 0.01 1.22 3.38 0.21 1.78 115.31 121.64 1s04 h LEU 64 Ca -0.03 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 1s04 h LEU 64 Cb 0.96 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.66 1s04 h LEU 64 CO 0.04 0.73 -0.52 -0.33 0.09 0.00 0.00 178.44 178.45 1s04 h GLU 65 N 0.16 0.33 0.00 1.13 4.39 0.19 0.36 114.58 121.13 1s04 h GLU 65 Ca 0.00 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1s04 h GLU 65 Cb 1.02 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1s04 h GLU 65 CO 0.08 1.07 -0.08 -0.22 -1.16 0.00 0.00 179.01 178.70 1s04 h LYS 66 N -0.26 0.00 0.35 2.33 3.64 -0.15 -3.40 116.57 119.09 1s04 h LYS 66 Ca -0.07 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1s04 h LYS 66 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1s04 h LYS 66 CO 0.10 0.00 -0.17 1.49 -2.27 0.00 0.00 179.45 178.60 1s04 h GLU 67 N -0.52 -0.46 0.00 1.90 4.22 0.25 -3.49 114.58 116.48 1s04 h GLU 67 Ca 0.00 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1s04 h GLU 67 Cb 0.08 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1s04 h GLU 67 CO 0.00 -0.31 0.00 0.41 -2.18 0.00 0.00 179.01 176.93 1s04 n GLY 68 N -1.30 4.12 0.43 1.92 0.00 0.42 -4.80 105.19 105.99 1s04 n GLY 68 Ca -0.10 -0.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.91 -0.40 0.99 5.85 -0.61 -1.47 115.31 118.76 1s04 h LEU 69 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1s04 h LEU 69 Cb 0.00 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1s04 h LEU 69 CO 0.00 -0.57 0.00 -0.62 -0.34 0.00 0.00 178.44 176.91 1s04 n GLU 70 N -5.50 0.07 -0.21 1.25 1.02 -1.26 0.20 120.64 116.22 1s04 n GLU 70 Ca -0.14 0.40 0.11 0.00 -0.02 0.00 0.00 57.16 57.51 1s04 n GLU 70 Cb 0.43 -1.67 0.27 0.00 -0.02 0.00 0.00 31.44 30.45 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 -1.82 2.96 0.02 1.62 5.03 -0.89 -4.14 115.26 118.05 1s04 n ASN 71 Ca 0.02 -1.94 0.00 0.00 0.87 0.00 0.00 54.58 53.53 1s04 n ASN 71 Cb 0.13 -0.27 0.00 0.00 -1.02 0.00 0.00 39.78 38.62 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 1.14 0.03 -3.82 2.41 0.31 0.33 0.14 118.33 118.86 1s04 n VAL 72 Ca 0.19 0.01 -0.31 0.00 -0.01 0.00 0.00 64.34 64.21 1s04 n VAL 72 Cb 0.51 -0.63 -0.11 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 -5.46 4.95 -0.28 7.52 2.96 0.55 -4.69 118.68 124.23 1s04 s LEU 73 Ca 0.00 -3.52 -0.29 0.00 -0.22 0.00 0.00 54.13 50.10 1s04 s LEU 73 Cb 0.00 -1.73 -0.00 0.00 0.50 0.00 0.00 46.19 44.95 1s04 s LEU 73 CO 0.00 -0.18 1.34 -2.16 -1.32 0.00 0.00 176.35 174.03 1s04 s PRO 74 N -1.01 3.93 0.00 0.98 0.04 -1.26 -3.07 135.00 134.61 1s04 s PRO 74 Ca 0.23 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1s04 s PRO 74 Cb -0.12 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1s04 s PRO 74 CO -0.10 -1.10 0.00 0.41 0.04 0.00 0.00 177.00 176.24 1s04 n GLY 75 N 4.29 2.69 3.17 0.56 0.00 -1.26 -5.06 105.19 109.59 1s04 n GLY 75 Ca 0.15 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 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 0.23 0.03 1.61 3.14 -1.17 -4.89 118.33 117.27 1s04 n VAL 76 Ca 0.00 -0.44 -0.10 0.00 -2.96 0.00 0.00 64.34 60.84 1s04 n VAL 76 Cb 0.00 -0.19 -0.13 0.00 -1.06 0.00 0.00 33.84 32.45 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 -0.82 0.07 -1.48 1.45 1.57 -1.92 -3.49 116.57 111.95 1s04 h LYS 77 Ca -0.44 -0.11 0.35 0.00 -1.87 0.00 0.00 60.65 58.58 1s04 h LYS 77 Cb 1.33 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 33.57 1s04 h LYS 77 CO 0.31 0.82 0.88 0.45 -0.57 0.00 0.00 179.45 181.34 1s04 s SER 78 N -6.53 -0.03 0.44 0.86 0.15 -1.26 -4.96 113.70 102.37 1s04 s SER 78 Ca -0.04 -0.12 0.16 0.00 0.70 0.00 0.00 55.95 56.65 1s04 s SER 78 Cb 0.08 0.12 1.08 0.00 -1.71 0.00 0.00 66.02 65.59 1s04 s SER 78 CO 0.83 -0.23 1.96 0.40 1.20 0.00 0.00 173.24 177.40 1s04 h ILE 79 N 2.00 0.84 0.16 6.45 2.04 -1.99 0.19 117.51 127.21 1s04 h ILE 79 Ca -0.30 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1s04 h ILE 79 Cb 1.20 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1s04 h ILE 79 CO 0.29 0.07 -0.08 -0.33 0.00 0.00 0.00 178.15 178.10 1s04 h GLU 80 N 0.36 -0.21 -0.11 2.37 4.39 -2.00 -2.45 114.58 116.93 1s04 h GLU 80 Ca 0.31 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.99 1s04 h GLU 80 Cb 0.70 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 1s04 h GLU 80 CO -0.08 0.07 -0.06 0.93 -1.16 0.00 0.00 179.01 178.70 1s04 h GLU 81 N -0.48 0.15 -0.44 2.33 4.39 -1.62 -2.39 114.58 116.52 1s04 h GLU 81 Ca -0.02 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1s04 h GLU 81 Cb 0.37 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1s04 h GLU 81 CO 0.04 0.23 0.28 0.78 -1.16 0.00 0.00 179.01 179.18 1s04 h GLY 82 N 0.48 0.62 2.00 -3.84 0.00 -0.42 -0.89 103.07 101.02 1s04 h GLY 82 Ca 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1s04 h GLY 82 CO 0.01 0.23 -0.08 -2.22 0.00 0.00 0.00 176.54 174.49 1s04 h ILE 83 N 0.59 0.84 -0.23 2.60 2.04 -0.96 -1.04 117.51 121.36 1s04 h ILE 83 Ca 0.16 -0.28 -0.17 0.00 1.00 0.00 0.00 64.86 65.57 1s04 h ILE 83 Cb -0.05 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1s04 h ILE 83 CO -0.03 0.07 -0.53 1.56 0.00 0.00 0.00 178.15 179.22 1s04 h GLN 84 N 0.00 0.67 -0.30 2.37 1.08 -1.02 -2.20 115.11 115.72 1s04 h GLN 84 Ca -0.00 -0.42 -0.07 0.00 -1.45 0.00 0.00 58.65 56.72 1s04 h GLN 84 Cb 0.16 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1s04 h GLN 84 CO 0.01 1.03 -0.10 0.28 -0.95 0.00 0.00 178.83 179.10 1s04 h VAL 85 N 0.52 1.22 0.00 -0.54 2.07 -0.29 -1.26 116.25 117.97 1s04 h VAL 85 Ca 0.02 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1s04 h VAL 85 Cb 1.09 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1s04 h VAL 85 CO 0.11 0.32 0.00 -1.22 0.02 0.00 0.00 177.57 176.80 1s04 n TYR 86 N -4.22 0.86 -0.04 1.57 4.01 -0.90 -2.53 117.16 115.91 1s04 n TYR 86 Ca 0.01 0.27 -0.13 0.00 -0.16 0.00 0.00 57.90 57.88 1s04 n TYR 86 Cb 0.31 -0.94 -0.11 0.00 -0.31 0.00 0.00 39.34 38.29 1s04 n TYR 86 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1s04 h ARG 87 N 0.00 -0.01 -0.24 -0.72 9.65 -0.59 1.84 114.38 124.31 1s04 h ARG 87 Ca 0.00 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.79 1s04 h ARG 87 Cb 0.64 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.21 1s04 h ARG 87 CO 0.00 0.76 -0.25 0.07 2.80 0.00 0.00 179.97 183.35 1s04 h ARG 88 N -0.79 0.45 0.00 0.20 0.11 -1.53 -3.31 114.38 109.51 1s04 h ARG 88 Ca -0.00 -0.16 -0.08 0.00 0.10 0.00 0.00 59.98 59.84 1s04 h ARG 88 Cb 0.77 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.81 1s04 h ARG 88 CO 0.00 0.66 -0.64 0.74 0.10 0.00 0.00 179.97 180.83 1s04 h PHE 89 N 0.40 0.00 -3.17 4.08 0.04 -1.56 -3.49 116.94 113.23 1s04 h PHE 89 Ca 0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1s04 h PHE 89 Cb 0.65 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.80 1s04 h PHE 89 CO 0.02 0.63 0.00 0.66 -0.60 0.00 0.00 178.31 179.02 1s04 n TYR 90 N -4.58 -0.10 -3.97 -0.55 4.01 0.62 -5.06 117.16 107.54 1s04 n TYR 90 Ca -0.15 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.48 1s04 n TYR 90 Cb 0.40 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.40 1s04 n TYR 90 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1s04 s ASP 91 N 0.35 0.20 0.13 7.72 1.01 -1.15 -3.76 116.67 121.17 1s04 s ASP 91 Ca 0.00 -1.11 -0.04 0.00 0.71 0.00 0.00 52.55 52.12 1s04 s ASP 91 Cb 0.00 0.68 -0.11 0.00 1.01 0.00 0.00 42.92 44.50 1s04 s ASP 91 CO 0.00 -1.32 1.29 -0.33 0.21 0.00 0.00 175.17 175.02 1s04 h GLU 92 N 2.13 0.37 0.27 8.23 4.39 -1.95 -2.21 114.58 125.81 1s04 h GLU 92 Ca -0.27 -0.42 -0.01 0.00 0.34 0.00 0.00 59.36 58.99 1s04 h GLU 92 Cb 1.25 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 1s04 h GLU 92 CO 0.36 1.11 -0.13 1.49 -1.16 0.00 0.00 179.01 180.68 1s04 h GLU 93 N 0.20 -0.34 -0.45 2.33 4.57 -1.96 0.67 114.58 119.59 1s04 h GLU 93 Ca -0.08 0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.19 1s04 h GLU 93 Cb 1.62 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 30.23 1s04 h GLU 93 CO 0.17 0.01 0.10 0.87 -1.18 0.00 0.00 179.01 178.98 1s04 h LYS 94 N -0.83 0.23 0.09 1.92 1.79 -1.97 0.29 116.57 118.09 1s04 h LYS 94 Ca -0.04 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1s04 h LYS 94 Cb 0.51 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1s04 h LYS 94 CO 0.06 0.15 -0.04 1.49 -1.08 0.00 0.00 179.45 180.03 1s04 h GLU 95 N 0.24 -0.12 0.00 3.15 4.81 -1.42 -2.02 114.58 119.22 1s04 h GLU 95 Ca 0.22 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1s04 h GLU 95 Cb 0.27 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1s04 h GLU 95 CO -0.28 0.16 0.15 0.87 -0.73 0.00 0.00 179.01 179.18 1s04 h LYS 96 N -0.39 0.00 0.37 1.92 1.79 0.89 1.88 116.57 123.02 1s04 h LYS 96 Ca -0.01 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1s04 h LYS 96 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1s04 h LYS 96 CO 0.02 0.00 -0.18 -0.22 -1.08 0.00 0.00 179.45 177.99 1s04 h LYS 97 N 0.00 -0.47 0.00 3.15 3.64 0.31 -3.43 116.57 119.76 1s04 h LYS 97 Ca 0.00 0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.23 1s04 h LYS 97 Cb 0.29 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1s04 h LYS 97 CO 0.00 -0.32 -1.55 0.66 -2.27 0.00 0.00 179.45 175.97 1s04 n TYR 98 N -4.99 0.00 0.00 1.91 4.01 -0.66 -5.10 117.16 112.33 1s04 n TYR 98 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1s04 n TYR 98 Cb 0.19 -0.64 0.00 0.00 -0.31 0.00 0.00 39.34 38.58 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 1.58 0.86 3.62 2.72 0.00 0.63 -4.97 105.19 109.63 1s04 n GLY 99 Ca -0.29 -2.29 -0.38 0.00 0.00 0.00 0.00 46.02 43.07 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 -0.95 5.29 -0.40 1.61 1.01 -1.25 -1.13 120.40 124.59 1s04 s VAL 100 Ca 0.00 0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 1s04 s VAL 100 Cb 0.00 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 32.87 1s04 s VAL 100 CO 0.00 0.27 0.24 0.54 0.00 0.00 0.00 175.10 176.15 1s04 s VAL 101 N 1.53 4.47 -0.75 2.92 0.11 -1.19 -0.49 120.40 127.01 1s04 s VAL 101 Ca 0.10 -1.11 -0.24 0.00 -2.93 0.00 0.00 61.98 57.79 1s04 s VAL 101 Cb -0.15 -3.62 0.05 0.00 -1.53 0.00 0.00 36.38 31.14 1s04 s VAL 101 CO 0.08 -0.38 1.16 0.00 -3.33 0.00 0.00 175.10 172.63 1s04 s ALA 102 N 1.50 2.93 -0.12 1.54 0.00 0.32 -2.97 121.76 124.96 1s04 s ALA 102 Ca 0.02 -1.73 -0.12 0.00 0.00 0.00 0.00 51.96 50.13 1s04 s ALA 102 Cb -0.21 -4.11 -0.05 0.00 0.00 0.00 0.00 23.12 18.75 1s04 s ALA 102 CO 0.05 -3.10 0.27 0.96 0.00 0.00 0.00 175.76 173.94 1s04 s ILE 103 N 4.81 5.30 -0.55 0.00 -0.00 0.38 -2.93 121.20 128.21 1s04 s ILE 103 Ca 0.31 0.50 -0.25 0.00 -0.00 0.00 0.00 60.65 61.20 1s04 s ILE 103 Cb -0.11 -3.58 0.04 0.00 -0.00 0.00 0.00 42.46 38.81 1s04 s ILE 103 CO 0.09 0.49 1.00 -0.70 -0.00 0.00 0.00 174.94 175.82 1s04 s GLU 104 N -0.23 3.39 0.03 0.37 2.12 -0.91 -2.47 118.70 121.00 1s04 s GLU 104 Ca 0.17 -0.10 -0.11 0.00 0.36 0.00 0.00 54.97 55.29 1s04 s GLU 104 Cb -0.13 -4.03 -0.06 0.00 0.26 0.00 0.00 34.13 30.17 1s04 s GLU 104 CO 0.05 -1.51 0.37 0.96 -0.54 0.00 0.00 175.26 174.60 1s04 s ILE 105 N 4.18 5.11 -0.31 -3.70 -5.25 -1.26 -1.04 121.20 118.93 1s04 s ILE 105 Ca 0.34 0.57 -0.01 0.00 -0.99 0.00 0.00 60.65 60.56 1s04 s ILE 105 Cb -0.11 -3.65 0.10 0.00 2.95 0.00 0.00 42.46 41.75 1s04 s ILE 105 CO 0.21 0.44 0.11 -1.61 -1.79 0.00 0.00 174.94 172.30 1s04 s GLU 106 N -1.48 0.65 -0.47 0.37 0.41 -0.97 -4.44 118.70 112.76 1s04 s GLU 106 Ca 0.27 -1.02 -0.28 0.00 -0.41 0.00 0.00 54.97 53.53 1s04 s GLU 106 Cb -0.15 -1.87 0.01 0.00 -1.78 0.00 0.00 34.13 30.34 1s04 s GLU 106 CO 0.15 -1.00 1.44 -1.25 -0.49 0.00 0.00 175.26 174.11 1s04 s PRO 107 N 1.65 3.44 -0.91 0.39 0.04 -1.26 -1.74 135.00 136.61 1s04 s PRO 107 Ca 0.10 0.78 -0.21 0.00 0.04 0.00 0.00 61.00 61.71 1s04 s PRO 107 Cb -0.17 -4.08 -0.12 0.00 0.04 0.00 0.00 34.50 30.17 1s04 s PRO 107 CO -0.26 -1.74 1.95 1.28 0.04 0.00 0.00 177.00 178.27 1s04 n LEU 108 N 9.27 4.27 -0.52 -3.56 4.32 -0.78 -3.79 117.00 126.21 1s04 n LEU 108 Ca 0.16 -3.09 -0.00 0.00 -0.02 0.00 0.00 56.01 53.06 1s04 n LEU 108 Cb 0.48 -1.27 -0.00 0.00 -1.62 0.00 0.00 43.42 41.01 1s04 n LEU 108 CO 0.71 -0.39 0.25 1.21 -1.22 0.00 0.00 177.39 177.95 1s04 n GLU 109 N 7.12 0.00 0.00 3.23 4.07 -1.26 -4.89 120.64 128.90 1s04 n GLU 109 Ca 0.49 -0.55 0.00 0.00 -0.06 0.00 0.00 57.16 57.05 1s04 n GLU 109 Cb 0.41 -0.25 0.00 0.00 -0.06 0.00 0.00 31.44 31.54 1s04 n GLU 109 CO 0.00 0.00 0.00 2.48 -0.06 0.00 0.00 177.13 179.55