#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 3.90 0.25 3.17 2.12 -1.26 -4.24 118.70 122.64 1s04 s GLU 2 Ca 0.00 2.16 -0.03 0.00 0.36 0.00 0.00 54.97 57.46 1s04 s GLU 2 Cb 0.00 -4.11 -0.05 0.00 0.26 0.00 0.00 34.13 30.23 1s04 s GLU 2 CO 0.00 -1.19 0.48 -1.58 -0.54 0.00 0.00 175.26 172.42 1s04 s TRP 3 N 5.14 3.48 -0.04 5.30 0.52 0.16 -4.96 118.94 128.54 1s04 s TRP 3 Ca 0.82 0.49 -0.01 0.00 0.02 0.00 0.00 56.10 57.41 1s04 s TRP 3 Cb -0.34 -1.98 0.03 0.00 -1.15 0.00 0.00 33.47 30.03 1s04 s TRP 3 CO 0.34 0.26 0.04 -1.83 0.02 0.00 0.00 176.95 175.79 1s04 s GLU 4 N -3.48 0.01 0.23 4.98 -1.05 -1.26 0.15 118.70 118.29 1s04 s GLU 4 Ca 0.41 0.28 0.02 0.00 -0.15 0.00 0.00 54.97 55.53 1s04 s GLU 4 Cb -0.11 -0.47 -0.01 0.00 -0.44 0.00 0.00 34.13 33.10 1s04 s GLU 4 CO 0.30 -0.27 0.07 -1.33 0.95 0.00 0.00 175.26 174.98 1s04 n MET 5 N 4.89 0.79 -3.75 -4.83 2.81 0.43 -4.88 117.12 112.58 1s04 n MET 5 Ca -0.12 -1.93 -0.13 0.00 -1.81 0.00 0.00 57.70 53.71 1s04 n MET 5 Cb 0.50 1.00 -0.10 0.00 -0.71 0.00 0.00 33.22 33.91 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 -2.41 -0.24 -0.16 3.03 0.00 -1.26 -1.06 107.32 105.22 1s04 s GLY 6 Ca 0.10 0.83 -0.30 0.00 0.00 0.00 0.00 44.72 45.36 1s04 s GLY 6 CO 0.07 0.68 0.99 0.48 0.00 0.00 0.00 173.10 175.32 1s04 s LEU 7 N -0.17 -0.38 0.19 0.66 2.34 -1.26 -4.92 118.68 115.14 1s04 s LEU 7 Ca -0.03 0.43 -0.29 0.00 0.06 0.00 0.00 54.13 54.29 1s04 s LEU 7 Cb -0.03 1.89 -0.17 0.00 -0.56 0.00 0.00 46.19 47.32 1s04 s LEU 7 CO 0.01 -0.35 0.60 0.00 -1.06 0.00 0.00 176.35 175.56 1s04 n GLN 8 N 0.78 0.09 -0.13 1.48 6.02 -1.26 -4.63 117.38 119.73 1s04 n GLN 8 Ca -0.11 0.03 0.22 0.00 -0.01 0.00 0.00 57.00 57.13 1s04 n GLN 8 Cb 0.58 -1.10 0.63 0.00 1.02 0.00 0.00 30.24 31.37 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 1.26 0.15 -0.60 -1.09 4.22 -2.00 0.37 114.58 116.89 1s04 h GLU 9 Ca -0.31 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.12 1s04 h GLU 9 Cb 1.43 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.62 1s04 h GLU 9 CO 0.58 0.10 0.38 1.49 -2.18 0.00 0.00 179.01 179.38 1s04 h GLU 10 N 0.16 0.81 -0.15 1.92 4.81 -2.01 -2.02 114.58 118.09 1s04 h GLU 10 Ca 0.37 -0.06 -0.21 0.00 -0.13 0.00 0.00 59.36 59.33 1s04 h GLU 10 Cb 1.22 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1s04 h GLU 10 CO -0.06 0.55 -0.73 0.74 -0.73 0.00 0.00 179.01 178.79 1s04 h PHE 11 N 0.83 0.92 -0.91 0.92 0.04 -0.57 -3.05 116.94 115.12 1s04 h PHE 11 Ca 0.22 -0.39 0.10 0.00 2.80 0.00 0.00 57.97 60.70 1s04 h PHE 11 Cb -0.06 -0.15 -0.08 0.00 2.20 0.00 0.00 35.95 37.87 1s04 h PHE 11 CO 0.00 1.20 0.55 -0.07 -0.60 0.00 0.00 178.31 179.39 1s04 h LEU 12 N 0.48 0.80 -1.39 1.54 4.07 -0.92 0.24 115.31 120.14 1s04 h LEU 12 Ca -0.04 0.04 -0.06 0.00 0.08 0.00 0.00 57.88 57.91 1s04 h LEU 12 Cb 1.34 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.95 1s04 h LEU 12 CO 0.14 0.45 -0.19 -0.08 -1.08 0.00 0.00 178.44 177.68 1s04 h GLU 13 N 0.90 0.16 -0.27 1.13 4.57 -1.38 -2.29 114.58 117.40 1s04 h GLU 13 Ca 0.44 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.51 1s04 h GLU 13 Cb 0.39 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1s04 h GLU 13 CO -0.25 0.36 -0.10 -0.07 -1.18 0.00 0.00 179.01 177.78 1s04 h LEU 14 N 0.15 0.56 -0.57 1.64 3.38 -0.49 -2.83 115.31 117.14 1s04 h LEU 14 Ca 0.03 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.67 1s04 h LEU 14 Cb 0.44 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1s04 h LEU 14 CO 0.03 0.82 0.27 0.40 0.09 0.00 0.00 178.44 180.05 1s04 h ILE 15 N 0.29 0.91 -0.58 1.22 5.03 -0.70 0.34 117.51 124.01 1s04 h ILE 15 Ca 0.07 -0.17 0.15 0.00 -0.12 0.00 0.00 64.86 64.78 1s04 h ILE 15 Cb 0.59 0.35 -0.03 0.00 -3.03 0.00 0.00 36.82 34.70 1s04 h ILE 15 CO 0.03 0.09 0.41 0.50 -0.68 0.00 0.00 178.15 178.50 1s04 h LYS 16 N 0.51 0.13 0.00 2.37 1.63 -1.27 0.84 116.57 120.77 1s04 h LYS 16 Ca 0.26 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 1s04 h LYS 16 Cb 0.21 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1s04 h LYS 16 CO -0.20 0.08 -0.56 -0.07 -3.45 0.00 0.00 179.45 175.25 1s04 h LEU 17 N 0.13 0.00 0.00 5.20 3.38 -0.40 -3.20 115.31 120.42 1s04 h LEU 17 Ca 0.28 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1s04 h LEU 17 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1s04 h LEU 17 CO -0.04 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.04 1s04 n ARG 18 N -2.83 0.70 0.14 1.13 1.74 0.29 -2.56 116.66 115.26 1s04 n ARG 18 Ca 0.02 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.09 1s04 n ARG 18 Cb 0.54 -1.47 0.17 0.00 -1.02 0.00 0.00 32.46 30.67 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 -0.04 5.56 2.10 -1.50 -2.80 116.57 119.89 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 0.62 0.00 1.63 -2.00 0.00 0.00 179.45 179.70 1s04 n LYS 20 N -3.77 1.57 0.00 0.07 4.76 -1.06 -4.90 118.16 114.83 1s04 n LYS 20 Ca -0.01 -1.61 0.00 0.00 -2.87 0.00 0.00 58.31 53.82 1s04 n LYS 20 Cb 0.62 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 1s04 n LYS 20 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1s04 n LYS 21 N 1.03 0.00 -3.82 1.97 4.01 -1.07 -5.05 118.16 115.23 1s04 n LYS 21 Ca 0.11 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.87 1s04 n LYS 21 Cb 0.46 0.00 0.01 0.00 -0.51 0.00 0.00 35.03 34.98 1s04 n LYS 21 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1s04 s ILE 22 N 2.47 0.00 -0.29 -0.18 -1.09 0.39 -4.92 121.20 117.57 1s04 s ILE 22 Ca 0.00 -0.65 -0.02 0.00 -2.23 0.00 0.00 60.65 57.75 1s04 s ILE 22 Cb 0.00 -2.50 0.12 0.00 -1.58 0.00 0.00 42.46 38.50 1s04 s ILE 22 CO 0.00 0.00 0.24 -0.70 -1.23 0.00 0.00 174.94 173.25 1s04 s GLU 23 N -2.65 0.29 0.72 2.79 2.12 -1.13 -4.27 118.70 116.58 1s04 s GLU 23 Ca 0.17 -0.33 -0.07 0.00 0.36 0.00 0.00 54.97 55.10 1s04 s GLU 23 Cb -0.02 -0.85 0.16 0.00 0.26 0.00 0.00 34.13 33.68 1s04 s GLU 23 CO 0.04 -1.04 0.98 0.41 -0.54 0.00 0.00 175.26 175.12 1s04 n GLY 24 N 5.22 -0.42 0.00 -1.50 0.00 -1.26 -2.10 105.19 105.14 1s04 n GLY 24 Ca -0.03 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1s04 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s04 n ARG 25 N -2.97 0.00 -1.40 1.61 5.12 -1.22 -4.83 116.66 112.98 1s04 n ARG 25 Ca 0.14 0.00 -0.53 0.00 -1.93 0.00 0.00 57.85 55.53 1s04 n ARG 25 Cb 0.49 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.73 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 -0.36 -4.56 0.55 7.94 -1.26 -3.59 117.00 115.71 1s04 n LEU 26 Ca 0.00 1.10 -0.38 0.00 -1.11 0.00 0.00 56.01 55.62 1s04 n LEU 26 Cb 0.00 -0.88 -0.03 0.00 0.53 0.00 0.00 43.42 43.04 1s04 n LEU 26 CO 0.00 -2.13 1.93 -0.47 -1.11 0.00 0.00 177.39 175.61 1s04 s TYR 27 N -0.29 1.19 0.00 1.96 5.04 -1.25 -4.84 117.35 119.16 1s04 s TYR 27 Ca 0.79 1.30 0.00 0.00 -2.44 0.00 0.00 57.07 56.72 1s04 s TYR 27 Cb -1.11 -3.72 0.00 0.00 0.35 0.00 0.00 41.96 37.48 1s04 s TYR 27 CO 0.54 -2.72 0.00 -0.25 -1.34 0.00 0.00 175.55 171.78 1s04 n ASP 28 N 14.75 0.12 0.02 4.32 8.00 -1.26 -4.88 116.55 137.62 1s04 n ASP 28 Ca 0.33 -0.81 -0.19 0.00 0.71 0.00 0.00 54.79 54.83 1s04 n ASP 28 Cb 0.53 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.52 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 0.58 -0.46 -1.24 5.08 -1.99 -2.62 114.58 113.93 1s04 h GLU 29 Ca 0.00 -0.62 -0.09 0.00 -1.00 0.00 0.00 59.36 57.65 1s04 h GLU 29 Cb 0.00 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1s04 h GLU 29 CO 0.00 1.23 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.97 1s04 h LYS 30 N 0.18 0.86 -0.01 2.33 3.64 -1.98 -1.60 116.57 119.99 1s04 h LYS 30 Ca -0.11 -0.30 0.02 0.00 -1.27 0.00 0.00 60.65 58.99 1s04 h LYS 30 Cb 1.53 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.26 1s04 h LYS 30 CO 0.17 0.93 -0.12 0.00 -2.27 0.00 0.00 179.45 178.16 1s04 h ARG 31 N 0.70 -0.19 0.00 1.90 2.47 -1.92 0.32 114.38 117.66 1s04 h ARG 31 Ca 0.12 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 1s04 h ARG 31 Cb 0.59 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.95 1s04 h ARG 31 CO 0.04 -0.13 -0.03 0.07 0.56 0.00 0.00 179.97 180.48 1s04 h ARG 32 N -0.20 0.00 -0.06 0.04 0.11 -1.38 -1.60 114.38 111.29 1s04 h ARG 32 Ca 0.05 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.91 1s04 h ARG 32 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1s04 h ARG 32 CO -0.13 0.03 -0.85 0.37 0.10 0.00 0.00 179.97 179.48 1s04 h GLN 33 N 0.00 0.53 -7.34 0.08 4.15 0.03 -3.45 115.11 109.11 1s04 h GLN 33 Ca -0.00 -0.50 -0.51 0.00 0.77 0.00 0.00 58.65 58.41 1s04 h GLN 33 Cb 0.21 0.12 0.10 0.00 0.21 0.00 0.00 27.48 28.12 1s04 h GLN 33 CO 0.00 1.13 0.37 0.42 -1.93 0.00 0.00 178.83 178.82 1s04 s ILE 34 N -3.49 3.98 0.15 2.39 1.01 -0.34 -5.08 121.20 119.82 1s04 s ILE 34 Ca -0.07 0.64 -0.09 0.00 0.00 0.00 0.00 60.65 61.14 1s04 s ILE 34 Cb 0.09 -3.39 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 1s04 s ILE 34 CO 0.87 -0.84 0.25 -1.59 0.00 0.00 0.00 174.94 173.64 1s04 s LYS 35 N -5.05 1.08 -0.58 2.79 -2.85 -1.26 -4.96 119.74 108.90 1s04 s LYS 35 Ca 0.58 -1.14 -0.28 0.00 -1.00 0.00 0.00 55.97 54.14 1s04 s LYS 35 Cb -0.14 0.36 0.01 0.00 -2.06 0.00 0.00 37.83 36.00 1s04 s LYS 35 CO 0.55 -0.38 1.51 -1.25 0.10 0.00 0.00 175.35 175.87 1s04 s PRO 36 N -3.95 3.16 0.00 1.78 0.04 -1.26 -3.12 135.00 131.65 1s04 s PRO 36 Ca 0.15 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1s04 s PRO 36 Cb 0.04 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.39 1s04 s PRO 36 CO -0.02 -2.11 0.00 0.41 0.04 0.00 0.00 177.00 175.32 1s04 n GLY 37 N 5.37 2.32 3.57 0.56 0.00 -0.80 -4.90 105.19 111.31 1s04 n GLY 37 Ca 0.13 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.91 -4.01 1.61 8.00 -1.18 -4.82 116.55 115.24 1s04 n ASP 38 Ca 0.00 -1.32 -0.10 0.00 0.71 0.00 0.00 54.79 54.09 1s04 n ASP 38 Cb 0.00 -0.98 -0.11 0.00 -0.02 0.00 0.00 41.12 40.01 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 -3.39 0.24 0.16 2.53 1.01 -1.26 -2.85 120.40 116.83 1s04 s VAL 39 Ca 0.71 -1.06 0.11 0.00 0.00 0.00 0.00 61.98 61.74 1s04 s VAL 39 Cb -0.04 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 1s04 s VAL 39 CO 0.52 -0.53 -0.25 -0.63 0.00 0.00 0.00 175.10 174.21 1s04 s ILE 40 N -1.73 2.30 -0.11 2.22 1.01 -0.25 0.37 121.20 125.01 1s04 s ILE 40 Ca -0.12 -1.89 0.02 0.00 0.00 0.00 0.00 60.65 58.66 1s04 s ILE 40 Cb -0.08 -2.06 0.01 0.00 0.01 0.00 0.00 42.46 40.35 1s04 s ILE 40 CO -0.02 -0.02 -0.16 -0.44 0.00 0.00 0.00 174.94 174.31 1s04 s SER 41 N -2.36 2.51 0.13 3.58 0.01 0.41 -2.09 113.70 115.88 1s04 s SER 41 Ca 0.17 -0.45 -0.01 0.00 1.31 0.00 0.00 55.95 56.98 1s04 s SER 41 Cb -0.09 -1.12 -0.04 0.00 0.21 0.00 0.00 66.02 64.97 1s04 s SER 41 CO 0.08 0.02 0.31 -0.36 0.41 0.00 0.00 173.24 173.69 1s04 s PHE 42 N 0.98 3.49 -1.80 2.43 0.08 0.21 0.16 117.98 123.53 1s04 s PHE 42 Ca -0.06 0.33 -0.23 0.00 0.12 0.00 0.00 56.93 57.09 1s04 s PHE 42 Cb -0.15 -1.83 0.23 0.00 -0.57 0.00 0.00 43.02 40.70 1s04 s PHE 42 CO -0.02 0.49 0.56 0.39 -0.10 0.00 0.00 175.22 176.54 1s04 n GLU 43 N -0.12 -0.73 0.00 0.44 1.02 -0.23 -0.48 120.64 120.55 1s04 n GLU 43 Ca -0.05 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1s04 n GLU 43 Cb 0.52 -4.49 0.00 0.00 -0.02 0.00 0.00 31.44 27.45 1s04 n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s04 n GLY 44 N -1.06 2.17 0.75 0.62 0.00 -1.26 -3.84 105.19 102.58 1s04 n GLY 44 Ca 0.11 -0.41 -0.04 0.00 0.00 0.00 0.00 46.02 45.68 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 0.14 0.12 -0.02 0.00 0.24 -4.79 105.19 100.88 1s04 n GLY 45 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.11 -2.64 1.61 3.11 -0.89 -3.45 116.57 114.42 1s04 h LYS 46 Ca -0.31 -0.11 -0.11 0.00 -2.81 0.00 0.00 60.65 57.31 1s04 h LYS 46 Cb 1.00 0.03 -0.26 0.00 -1.00 0.00 0.00 32.23 32.01 1s04 h LYS 46 CO -0.16 0.86 -0.27 -1.17 -2.81 0.00 0.00 179.45 175.90 1s04 s LEU 47 N -7.37 -0.00 0.09 5.20 2.96 -1.23 -4.99 118.68 113.35 1s04 s LEU 47 Ca -0.02 0.90 0.07 0.00 -0.22 0.00 0.00 54.13 54.86 1s04 s LEU 47 Cb 0.11 1.40 -0.03 0.00 0.50 0.00 0.00 46.19 48.16 1s04 s LEU 47 CO 0.81 -0.18 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.92 1s04 s LYS 48 N 1.13 1.03 0.05 1.98 3.01 -1.26 0.65 119.74 126.33 1s04 s LYS 48 Ca -0.07 -1.10 -0.01 0.00 -1.01 0.00 0.00 55.97 53.78 1s04 s LYS 48 Cb -0.07 -1.22 -0.04 0.00 -1.01 0.00 0.00 37.83 35.49 1s04 s LYS 48 CO -0.10 0.28 -0.03 0.14 0.51 0.00 0.00 175.35 176.16 1s04 s VAL 49 N -1.20 0.22 -0.15 3.17 -7.23 -0.89 -2.91 120.40 111.41 1s04 s VAL 49 Ca 0.04 -1.80 -0.00 0.00 -1.81 0.00 0.00 61.98 58.41 1s04 s VAL 49 Cb -0.10 -1.52 0.04 0.00 0.56 0.00 0.00 36.38 35.36 1s04 s VAL 49 CO 0.04 -0.99 -0.07 -0.60 -0.31 0.00 0.00 175.10 173.17 1s04 s ARG 50 N -3.92 1.55 0.22 4.82 3.52 -0.29 -1.09 118.95 123.75 1s04 s ARG 50 Ca 0.07 -0.48 -0.32 0.00 -0.13 0.00 0.00 55.73 54.87 1s04 s ARG 50 Cb 0.08 -1.94 -0.14 0.00 -1.56 0.00 0.00 34.95 31.39 1s04 s ARG 50 CO -0.10 -0.38 1.44 0.28 -0.81 0.00 0.00 175.30 175.73 1s04 n VAL 51 N 4.87 0.70 -0.12 7.11 0.31 -1.13 -2.08 118.33 127.98 1s04 n VAL 51 Ca -0.13 -0.17 -0.21 0.00 -0.01 0.00 0.00 64.34 63.82 1s04 n VAL 51 Cb 0.48 -1.46 -0.10 0.00 -0.91 0.00 0.00 33.84 31.85 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 2.36 0.57 -3.56 5.55 4.76 0.54 -1.91 118.16 126.48 1s04 n LYS 52 Ca 0.13 0.18 -0.07 0.00 -2.87 0.00 0.00 58.31 55.68 1s04 n LYS 52 Cb 0.30 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 32.02 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 -2.47 -1.95 0.08 7.82 0.00 -1.16 -4.75 121.76 119.33 1s04 s ALA 53 Ca -0.34 1.38 0.05 0.00 0.00 0.00 0.00 51.96 53.06 1s04 s ALA 53 Cb 0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1s04 s ALA 53 CO 0.51 -0.56 -0.03 -1.50 0.00 0.00 0.00 175.76 174.19 1s04 s ILE 54 N -2.37 3.86 0.04 0.00 1.10 -1.26 -1.09 121.20 121.48 1s04 s ILE 54 Ca 0.05 -1.02 -0.04 0.00 -0.51 0.00 0.00 60.65 59.14 1s04 s ILE 54 Cb -0.01 -2.82 -0.02 0.00 0.15 0.00 0.00 42.46 39.77 1s04 s ILE 54 CO -0.05 0.15 0.06 -0.13 -2.11 0.00 0.00 174.94 172.85 1s04 s ARG 55 N -2.20 0.57 -0.00 3.50 1.81 -1.14 -4.99 118.95 116.50 1s04 s ARG 55 Ca 0.24 -0.84 0.03 0.00 -1.72 0.00 0.00 55.73 53.45 1s04 s ARG 55 Cb -0.12 0.22 -0.01 0.00 -0.45 0.00 0.00 34.95 34.59 1s04 s ARG 55 CO 0.16 -0.13 -0.11 0.08 -0.68 0.00 0.00 175.30 174.62 1s04 s VAL 56 N -2.79 0.84 0.39 3.52 1.01 -1.26 -2.17 120.40 119.95 1s04 s VAL 56 Ca -0.03 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.48 1s04 s VAL 56 Cb -0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 1s04 s VAL 56 CO -0.06 0.20 0.16 -0.31 0.00 0.00 0.00 175.10 175.09 1s04 s TYR 57 N -0.33 1.77 -0.01 5.22 1.51 0.75 -4.93 117.35 121.32 1s04 s TYR 57 Ca 0.03 -1.37 -0.21 0.00 -1.01 0.00 0.00 57.07 54.51 1s04 s TYR 57 Cb -0.05 -1.06 -0.23 0.00 -0.11 0.00 0.00 41.96 40.52 1s04 s TYR 57 CO -0.00 -0.43 1.09 -0.97 -1.11 0.00 0.00 175.55 174.13 1s04 h ASN 58 N 1.86 0.42 -5.14 2.29 -0.73 -1.93 -3.30 115.58 109.06 1s04 h ASN 58 Ca -0.33 -0.75 -0.03 0.00 1.87 0.00 0.00 56.30 57.06 1s04 h ASN 58 Cb 1.27 -0.13 -0.10 0.00 0.27 0.00 0.00 38.32 39.63 1s04 h ASN 58 CO 0.52 1.11 -0.04 -0.44 -0.37 0.00 0.00 177.43 178.22 1s04 s SER 59 N -6.57 -0.18 0.35 1.15 0.01 -1.26 -4.45 113.70 102.75 1s04 s SER 59 Ca -0.14 -0.64 0.04 0.00 1.31 0.00 0.00 55.95 56.52 1s04 s SER 59 Cb 0.03 0.57 0.69 0.00 0.21 0.00 0.00 66.02 67.52 1s04 s SER 59 CO 0.79 -1.07 1.96 -0.26 0.41 0.00 0.00 173.24 175.07 1s04 h PHE 60 N 2.24 0.82 -0.83 2.43 0.04 -1.92 -1.29 116.94 118.43 1s04 h PHE 60 Ca -0.28 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.59 1s04 h PHE 60 Cb 1.25 -0.27 -0.07 0.00 2.20 0.00 0.00 35.95 39.07 1s04 h PHE 60 CO 0.37 0.45 0.50 -0.09 -0.60 0.00 0.00 178.31 178.94 1s04 h ARG 61 N 0.82 0.85 -0.47 1.51 1.12 -1.96 0.21 114.38 116.46 1s04 h ARG 61 Ca 0.31 -0.05 -0.06 0.00 -1.11 0.00 0.00 59.98 59.07 1s04 h ARG 61 Cb 0.19 -0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 29.94 1s04 h ARG 61 CO -0.10 0.56 0.06 0.93 -3.11 0.00 0.00 179.97 178.31 1s04 h GLU 62 N 0.88 0.79 -0.02 0.20 3.07 -1.66 0.24 114.58 118.08 1s04 h GLU 62 Ca 0.38 -0.22 -0.00 0.00 -0.50 0.00 0.00 59.36 59.02 1s04 h GLU 62 Cb 0.25 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1s04 h GLU 62 CO -0.20 0.81 0.01 0.52 -1.40 0.00 0.00 179.01 178.75 1s04 h MET 63 N 0.66 0.03 0.00 2.33 2.86 -0.81 1.24 114.93 121.24 1s04 h MET 63 Ca 0.14 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.71 1s04 h MET 63 Cb 0.42 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1s04 h MET 63 CO 0.01 0.11 -0.30 -0.07 1.06 0.00 0.00 176.91 177.72 1s04 h LEU 64 N -0.06 0.00 0.03 1.22 3.38 -0.56 1.86 115.31 121.19 1s04 h LEU 64 Ca 0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 1s04 h LEU 64 Cb 0.09 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.86 1s04 h LEU 64 CO -0.00 0.30 -0.78 -0.33 0.09 0.00 0.00 178.44 177.72 1s04 h GLU 65 N 0.00 0.47 0.00 1.13 5.08 0.06 0.59 114.58 121.90 1s04 h GLU 65 Ca -0.00 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1s04 h GLU 65 Cb 0.56 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1s04 h GLU 65 CO 0.04 1.19 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.97 1s04 h LYS 66 N -0.02 0.00 0.16 2.33 3.64 0.18 -3.39 116.57 119.48 1s04 h LYS 66 Ca -0.11 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1s04 h LYS 66 Cb 1.49 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.31 1s04 h LYS 66 CO 0.15 0.00 -0.12 1.49 -2.27 0.00 0.00 179.45 178.71 1s04 h GLU 67 N -0.48 -0.27 0.00 1.90 4.22 0.27 -3.49 114.58 116.73 1s04 h GLU 67 Ca 0.00 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.46 1s04 h GLU 67 Cb 0.06 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1s04 h GLU 67 CO 0.00 -0.18 0.00 0.41 -2.18 0.00 0.00 179.01 177.06 1s04 n GLY 68 N -1.23 3.70 0.46 1.92 0.00 -0.35 -4.76 105.19 104.93 1s04 n GLY 68 Ca -0.08 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.18 -1.81 0.99 5.85 -0.17 -0.73 115.31 118.27 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 0.37 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1s04 h LEU 69 CO 0.00 -0.64 0.00 -0.33 -0.34 0.00 0.00 178.44 177.13 1s04 h GLU 70 N -0.99 0.00 -0.47 1.25 5.08 -1.87 0.66 114.58 118.25 1s04 h GLU 70 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1s04 h GLU 70 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1s04 h GLU 70 CO 0.00 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.10 1s04 n ASN 71 N -2.90 2.29 0.11 1.42 3.02 -0.41 -4.22 115.26 114.57 1s04 n ASN 71 Ca -0.00 -2.11 0.00 0.00 -0.03 0.00 0.00 54.58 52.44 1s04 n ASN 71 Cb 0.20 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 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 0.51 0.14 -3.74 2.41 0.31 -0.02 0.15 118.33 118.08 1s04 n VAL 72 Ca 0.13 0.05 -0.37 0.00 -0.01 0.00 0.00 64.34 64.14 1s04 n VAL 72 Cb 0.41 -0.65 -0.11 0.00 -0.91 0.00 0.00 33.84 32.58 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 -6.66 5.29 -0.23 7.52 2.96 0.21 -4.68 118.68 123.08 1s04 s LEU 73 Ca 0.00 -2.25 -0.29 0.00 -0.22 0.00 0.00 54.13 51.37 1s04 s LEU 73 Cb 0.00 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 1s04 s LEU 73 CO 0.00 -0.51 1.32 -2.16 -1.32 0.00 0.00 176.35 173.68 1s04 s PRO 74 N 0.82 4.04 0.00 0.98 0.04 -1.26 -2.64 135.00 136.99 1s04 s PRO 74 Ca 0.10 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1s04 s PRO 74 Cb -0.22 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1s04 s PRO 74 CO -0.04 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.46 1s04 n GLY 75 N 4.04 2.12 3.28 0.56 0.00 -1.26 -5.08 105.19 108.85 1s04 n GLY 75 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.38 0.38 0.06 1.61 3.14 -1.08 -4.88 118.33 117.18 1s04 n VAL 76 Ca 0.00 -0.50 -0.19 0.00 -2.96 0.00 0.00 64.34 60.69 1s04 n VAL 76 Cb 0.00 -0.03 -0.14 0.00 -1.06 0.00 0.00 33.84 32.61 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 0.17 0.28 -2.26 1.45 1.57 -1.92 -3.49 116.57 112.36 1s04 h LYS 77 Ca -0.39 -0.49 0.16 0.00 -1.87 0.00 0.00 60.65 58.06 1s04 h LYS 77 Cb 1.45 0.18 -0.11 0.00 0.08 0.00 0.00 32.23 33.82 1s04 h LYS 77 CO 0.44 1.15 0.51 -1.12 -0.57 0.00 0.00 179.45 179.87 1s04 s SER 78 N -7.04 -0.25 0.30 0.86 0.01 -1.26 -4.97 113.70 101.34 1s04 s SER 78 Ca -0.12 -0.21 0.02 0.00 1.31 0.00 0.00 55.95 56.95 1s04 s SER 78 Cb 0.06 0.42 0.59 0.00 0.21 0.00 0.00 66.02 67.31 1s04 s SER 78 CO 0.85 -0.75 1.85 0.40 0.41 0.00 0.00 173.24 176.00 1s04 h ILE 79 N 2.00 0.93 -0.32 1.44 2.04 -1.99 0.40 117.51 122.01 1s04 h ILE 79 Ca -0.23 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 1s04 h ILE 79 Cb 1.23 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1s04 h ILE 79 CO 0.28 0.18 0.05 -0.33 0.00 0.00 0.00 178.15 178.32 1s04 h GLU 80 N 0.96 0.53 -0.69 2.37 4.39 -2.00 -2.44 114.58 117.70 1s04 h GLU 80 Ca 0.47 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.98 1s04 h GLU 80 Cb 0.48 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 1s04 h GLU 80 CO -0.24 0.63 0.22 0.93 -1.16 0.00 0.00 179.01 179.39 1s04 h GLU 81 N 0.36 1.06 -0.17 2.33 4.39 -1.52 -2.49 114.58 118.53 1s04 h GLU 81 Ca 0.10 -0.22 0.04 0.00 0.34 0.00 0.00 59.36 59.62 1s04 h GLU 81 Cb 0.36 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 1s04 h GLU 81 CO 0.01 0.90 -0.07 0.78 -1.16 0.00 0.00 179.01 179.47 1s04 h GLY 82 N 1.08 0.09 0.76 -3.84 0.00 -0.06 -1.20 103.07 99.91 1s04 h GLY 82 Ca 0.23 0.09 0.06 0.00 0.00 0.00 0.00 47.33 47.70 1s04 h GLY 82 CO -0.01 -0.09 0.61 -2.22 0.00 0.00 0.00 176.54 174.83 1s04 h ILE 83 N -0.04 1.09 -0.82 2.60 2.04 -1.23 -0.16 117.51 120.99 1s04 h ILE 83 Ca 0.09 -0.38 0.06 0.00 1.00 0.00 0.00 64.86 65.63 1s04 h ILE 83 Cb 0.18 -0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.08 1s04 h ILE 83 CO -0.20 0.20 0.54 1.56 0.00 0.00 0.00 178.15 180.25 1s04 h GLN 84 N 1.12 0.89 -0.04 2.37 1.08 -0.82 0.39 115.11 120.10 1s04 h GLN 84 Ca 0.40 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.55 1s04 h GLN 84 Cb 0.13 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1s04 h GLN 84 CO -0.16 0.59 0.01 0.28 -0.95 0.00 0.00 178.83 178.59 1s04 h VAL 85 N 0.91 1.18 -0.00 -0.54 2.07 0.07 0.25 116.25 120.18 1s04 h VAL 85 Ca 0.35 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 1s04 h VAL 85 Cb 0.21 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1s04 h VAL 85 CO -0.12 0.14 -0.24 1.88 0.02 0.00 0.00 177.57 179.25 1s04 h TYR 86 N -0.15 0.00 -0.01 1.57 0.05 -0.64 -2.16 116.97 115.64 1s04 h TYR 86 Ca 0.01 -0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.58 1s04 h TYR 86 Cb 0.22 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.96 1s04 h TYR 86 CO -0.00 0.24 -0.88 -0.09 -1.05 0.00 0.00 178.16 176.38 1s04 h ARG 87 N 0.00 0.34 -0.15 4.88 9.65 0.12 0.51 114.38 129.74 1s04 h ARG 87 Ca -0.00 -0.35 -0.01 0.00 -1.10 0.00 0.00 59.98 58.51 1s04 h ARG 87 Cb 0.43 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 1s04 h ARG 87 CO 0.03 1.03 0.05 0.00 2.80 0.00 0.00 179.97 183.88 1s04 h ARG 88 N 0.20 0.23 0.01 0.20 3.08 0.08 -3.31 114.38 114.87 1s04 h ARG 88 Ca -0.06 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1s04 h ARG 88 Cb 1.50 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.52 1s04 h ARG 88 CO 0.15 0.36 -0.00 0.74 -1.07 0.00 0.00 179.97 180.14 1s04 h PHE 89 N 0.06 -0.01 -3.16 3.04 0.04 -1.46 -3.46 116.94 112.00 1s04 h PHE 89 Ca 0.05 -0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.23 1s04 h PHE 89 Cb 0.22 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.33 1s04 h PHE 89 CO -0.00 0.75 -0.16 0.71 -0.60 0.00 0.00 178.31 179.00 1s04 s TYR 90 N -2.19 3.66 0.50 -0.55 2.02 0.18 -5.06 117.35 115.91 1s04 s TYR 90 Ca -0.15 0.98 -0.22 0.00 -0.37 0.00 0.00 57.07 57.32 1s04 s TYR 90 Cb -0.02 -2.30 -0.06 0.00 -0.40 0.00 0.00 41.96 39.18 1s04 s TYR 90 CO 0.54 0.54 1.17 -0.51 -1.57 0.00 0.00 175.55 175.72 1s04 s ASP 91 N -1.48 5.91 0.17 2.29 1.11 -1.26 -3.99 116.67 119.42 1s04 s ASP 91 Ca 0.31 2.31 -0.01 0.00 0.18 0.00 0.00 52.55 55.35 1s04 s ASP 91 Cb -0.16 -2.60 0.05 0.00 1.07 0.00 0.00 42.92 41.28 1s04 s ASP 91 CO 0.17 -1.10 1.42 -0.08 1.18 0.00 0.00 175.17 176.77 1s04 h GLU 92 N 1.69 0.36 0.35 8.23 4.81 -1.92 -1.60 114.58 126.51 1s04 h GLU 92 Ca -0.50 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 58.40 1s04 h GLU 92 Cb 1.26 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1s04 h GLU 92 CO 0.59 0.97 -0.17 1.49 -0.73 0.00 0.00 179.01 181.15 1s04 h GLU 93 N 0.24 -0.46 -0.84 1.92 4.22 -1.97 0.38 114.58 118.07 1s04 h GLU 93 Ca -0.04 0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.46 1s04 h GLU 93 Cb 1.35 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.65 1s04 h GLU 93 CO 0.13 -0.17 0.54 0.87 -2.18 0.00 0.00 179.01 178.21 1s04 h LYS 94 N -0.74 1.05 0.23 1.92 1.79 -1.97 0.21 116.57 119.06 1s04 h LYS 94 Ca -0.05 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 1s04 h LYS 94 Cb 0.50 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1s04 h LYS 94 CO 0.08 0.69 -0.11 1.49 -1.08 0.00 0.00 179.45 180.52 1s04 h GLU 95 N 1.08 -0.30 0.00 3.15 4.22 -1.19 -1.14 114.58 120.39 1s04 h GLU 95 Ca 0.32 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.79 1s04 h GLU 95 Cb -0.04 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1s04 h GLU 95 CO -0.10 -0.13 0.00 1.63 -2.18 0.00 0.00 179.01 178.23 1s04 n LYS 96 N -5.18 0.12 0.11 1.92 5.02 0.13 0.18 118.16 120.46 1s04 n LYS 96 Ca -0.09 0.49 -0.07 0.00 -2.02 0.00 0.00 58.31 56.62 1s04 n LYS 96 Cb 0.18 -1.80 -0.04 0.00 -0.02 0.00 0.00 35.03 33.35 1s04 n LYS 96 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1s04 h LYS 97 N 0.00 -0.35 0.00 1.97 3.64 0.62 -3.42 116.57 119.03 1s04 h LYS 97 Ca 0.00 0.02 -0.27 0.00 -1.27 0.00 0.00 60.65 59.13 1s04 h LYS 97 Cb 0.17 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1s04 h LYS 97 CO 0.00 -0.17 -1.76 0.66 -2.27 0.00 0.00 179.45 175.91 1s04 n TYR 98 N -5.01 0.27 0.00 1.91 4.01 -0.79 -5.09 117.16 112.46 1s04 n TYR 98 Ca -0.05 0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1s04 n TYR 98 Cb 0.17 -0.88 0.00 0.00 -0.31 0.00 0.00 39.34 38.33 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 1.37 0.18 3.14 2.72 0.00 0.49 -4.96 105.19 108.12 1s04 n GLY 99 Ca -0.36 -1.50 -0.15 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.33 0.88 -0.20 1.61 1.01 -1.25 -3.86 120.40 118.26 1s04 s VAL 100 Ca 0.00 -1.33 -0.04 0.00 0.00 0.00 0.00 61.98 60.61 1s04 s VAL 100 Cb 0.00 -1.01 0.07 0.00 0.00 0.00 0.00 36.38 35.43 1s04 s VAL 100 CO 0.00 -0.37 0.07 0.68 0.00 0.00 0.00 175.10 175.48 1s04 s VAL 101 N -1.66 0.22 -0.72 2.92 -7.23 -1.24 -0.18 120.40 112.53 1s04 s VAL 101 Ca -0.02 -0.47 -0.26 0.00 -1.81 0.00 0.00 61.98 59.41 1s04 s VAL 101 Cb -0.08 -0.88 -0.00 0.00 0.56 0.00 0.00 36.38 35.98 1s04 s VAL 101 CO 0.01 -0.33 1.63 0.00 -0.31 0.00 0.00 175.10 176.10 1s04 s ALA 102 N 1.99 2.36 -0.13 1.32 0.00 -0.92 -3.38 121.76 123.00 1s04 s ALA 102 Ca 0.02 -1.11 -0.24 0.00 0.00 0.00 0.00 51.96 50.63 1s04 s ALA 102 Cb -0.17 -4.33 -0.03 0.00 0.00 0.00 0.00 23.12 18.60 1s04 s ALA 102 CO -0.13 -3.76 0.74 0.42 0.00 0.00 0.00 175.76 173.03 1s04 s ILE 103 N 7.70 4.98 -0.49 0.00 1.01 -0.89 -2.90 121.20 130.60 1s04 s ILE 103 Ca 0.55 1.48 -0.20 0.00 0.00 0.00 0.00 60.65 62.47 1s04 s ILE 103 Cb -0.09 -4.06 0.05 0.00 0.01 0.00 0.00 42.46 38.36 1s04 s ILE 103 CO 0.14 0.14 0.65 -0.70 0.00 0.00 0.00 174.94 175.17 1s04 s GLU 104 N 1.51 3.17 0.48 2.79 2.12 -0.25 -2.83 118.70 125.68 1s04 s GLU 104 Ca 0.36 -0.73 0.07 0.00 0.36 0.00 0.00 54.97 55.04 1s04 s GLU 104 Cb -0.17 -4.06 0.01 0.00 0.26 0.00 0.00 34.13 30.17 1s04 s GLU 104 CO 0.15 -1.19 0.44 0.96 -0.54 0.00 0.00 175.26 175.08 1s04 s ILE 105 N 2.76 2.25 -0.29 -3.70 -0.00 -1.26 0.20 121.20 121.17 1s04 s ILE 105 Ca 0.18 -1.35 0.03 0.00 -0.00 0.00 0.00 60.65 59.50 1s04 s ILE 105 Cb -0.17 -2.60 0.17 0.00 -0.00 0.00 0.00 42.46 39.85 1s04 s ILE 105 CO 0.14 0.00 0.47 -0.70 -0.00 0.00 0.00 174.94 174.85 1s04 s GLU 106 N -4.25 0.46 -0.56 0.37 2.56 -0.88 -4.74 118.70 111.65 1s04 s GLU 106 Ca 0.45 0.33 -0.28 0.00 0.00 0.00 0.00 54.97 55.48 1s04 s GLU 106 Cb -0.03 -0.10 0.01 0.00 2.00 0.00 0.00 34.13 36.00 1s04 s GLU 106 CO 0.27 -0.99 1.50 -1.25 -0.56 0.00 0.00 175.26 174.23 1s04 s PRO 107 N 2.65 3.19 -1.00 4.30 0.04 -1.26 -1.14 135.00 141.78 1s04 s PRO 107 Ca 0.11 0.50 -0.18 0.00 0.04 0.00 0.00 61.00 61.46 1s04 s PRO 107 Cb -0.12 -4.17 0.13 0.00 0.04 0.00 0.00 34.50 30.37 1s04 s PRO 107 CO -0.27 -2.07 1.25 -0.48 0.04 0.00 0.00 177.00 175.46 1s04 s LEU 108 N 6.56 4.81 0.00 -3.56 2.34 -1.14 -4.70 118.68 122.99 1s04 s LEU 108 Ca 0.55 -2.16 0.00 0.00 0.06 0.00 0.00 54.13 52.59 1s04 s LEU 108 Cb -0.12 -2.43 0.00 0.00 -0.56 0.00 0.00 46.19 43.09 1s04 s LEU 108 CO 0.24 -1.07 0.00 1.21 -1.06 0.00 0.00 176.35 175.68 1s04 n GLU 109 N 6.75 0.00 0.00 1.48 2.13 -1.26 -4.84 120.64 124.90 1s04 n GLU 109 Ca 0.28 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.10 1s04 n GLU 109 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.19 1s04 n GLU 109 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38