#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 4.23 0.24 0.03 2.12 -1.26 -4.41 118.70 119.65 1s04 s GLU 2 Ca 0.00 2.35 0.08 0.00 0.36 0.00 0.00 54.97 57.77 1s04 s GLU 2 Cb 0.00 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 1s04 s GLU 2 CO 0.00 -0.50 0.05 -1.58 -0.54 0.00 0.00 175.26 172.69 1s04 s TRP 3 N 0.29 2.84 0.09 5.30 0.52 0.13 -5.00 118.94 123.11 1s04 s TRP 3 Ca 0.63 -0.17 0.05 0.00 0.02 0.00 0.00 56.10 56.62 1s04 s TRP 3 Cb -0.43 -1.29 -0.03 0.00 -1.15 0.00 0.00 33.47 30.57 1s04 s TRP 3 CO 0.41 0.57 -0.12 -1.83 0.02 0.00 0.00 176.95 176.00 1s04 s GLU 4 N -3.57 0.86 0.13 4.98 1.03 -1.26 0.33 118.70 121.21 1s04 s GLU 4 Ca 0.31 -1.09 -0.23 0.00 0.03 0.00 0.00 54.97 53.99 1s04 s GLU 4 Cb -0.07 -0.71 0.07 0.00 -0.80 0.00 0.00 34.13 32.61 1s04 s GLU 4 CO 0.21 0.14 0.59 -1.64 -1.33 0.00 0.00 175.26 173.22 1s04 s MET 5 N -2.34 1.23 -0.38 -4.83 -1.94 0.47 -4.82 119.30 106.70 1s04 s MET 5 Ca 0.03 -0.41 0.13 0.00 -1.71 0.00 0.00 55.69 53.73 1s04 s MET 5 Cb -0.06 0.57 0.40 0.00 2.01 0.00 0.00 34.83 37.74 1s04 s MET 5 CO 0.02 -0.52 0.86 0.41 -0.01 0.00 0.00 175.02 175.78 1s04 n GLY 6 N -0.21 3.19 3.80 -0.03 0.00 -1.26 -0.25 105.19 110.43 1s04 n GLY 6 Ca -0.17 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 1s04 n GLY 6 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1s04 s LEU 7 N -2.87 2.03 0.63 0.99 2.34 -1.26 -4.83 118.68 115.70 1s04 s LEU 7 Ca 0.37 0.87 -0.18 0.00 0.06 0.00 0.00 54.13 55.25 1s04 s LEU 7 Cb 0.39 -3.15 -0.02 0.00 -0.56 0.00 0.00 46.19 42.84 1s04 s LEU 7 CO -0.05 -2.61 1.19 0.00 -1.06 0.00 0.00 176.35 173.82 1s04 n GLN 8 N -3.79 1.07 -0.20 1.48 6.02 -1.26 -4.66 117.38 116.04 1s04 n GLN 8 Ca 0.08 0.42 -0.09 0.00 -0.01 0.00 0.00 57.00 57.39 1s04 n GLN 8 Cb 0.59 -2.41 0.02 0.00 1.02 0.00 0.00 30.24 29.46 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 0.55 0.94 -0.91 -1.09 4.81 -2.00 -2.49 114.58 114.38 1s04 h GLU 9 Ca -0.50 -0.27 0.19 0.00 -0.13 0.00 0.00 59.36 58.65 1s04 h GLU 9 Cb 1.35 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.55 1s04 h GLU 9 CO 0.52 0.92 0.59 1.49 -0.73 0.00 0.00 179.01 181.81 1s04 h GLU 10 N 0.83 0.49 -0.27 1.92 4.81 -2.01 0.83 114.58 121.19 1s04 h GLU 10 Ca 0.17 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.20 1s04 h GLU 10 Cb 0.45 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1s04 h GLU 10 CO 0.02 0.33 -0.47 0.74 -0.73 0.00 0.00 179.01 178.89 1s04 h PHE 11 N 0.51 0.99 -1.00 0.92 0.04 -1.82 -3.00 116.94 113.56 1s04 h PHE 11 Ca 0.48 -0.35 0.20 0.00 2.80 0.00 0.00 57.97 61.11 1s04 h PHE 11 Cb 1.05 -0.19 -0.11 0.00 2.20 0.00 0.00 35.95 38.91 1s04 h PHE 11 CO -0.00 1.15 0.61 -0.07 -0.60 0.00 0.00 178.31 179.40 1s04 h LEU 12 N 0.54 0.75 -1.18 1.54 4.07 -0.54 1.21 115.31 121.70 1s04 h LEU 12 Ca 0.02 0.10 -0.05 0.00 0.08 0.00 0.00 57.88 58.03 1s04 h LEU 12 Cb 1.08 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.78 1s04 h LEU 12 CO 0.11 0.23 -0.24 -0.08 -1.08 0.00 0.00 178.44 177.38 1s04 h GLU 13 N 0.71 0.00 -0.06 1.13 4.57 -1.34 -2.87 114.58 116.72 1s04 h GLU 13 Ca 0.59 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.58 1s04 h GLU 13 Cb 0.99 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.59 1s04 h GLU 13 CO -0.40 0.24 -0.71 -0.07 -1.18 0.00 0.00 179.01 176.90 1s04 h LEU 14 N 0.00 0.72 -1.42 1.64 3.38 0.15 -3.10 115.31 116.68 1s04 h LEU 14 Ca -0.00 -0.70 0.09 0.00 0.09 0.00 0.00 57.88 57.36 1s04 h LEU 14 Cb 0.72 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1s04 h LEU 14 CO 0.03 1.31 0.49 0.40 0.09 0.00 0.00 178.44 180.76 1s04 h ILE 15 N 0.19 0.95 0.00 1.22 5.03 -0.64 0.52 117.51 124.77 1s04 h ILE 15 Ca -0.07 -0.23 -0.05 0.00 -0.12 0.00 0.00 64.86 64.39 1s04 h ILE 15 Cb 1.37 0.23 -0.01 0.00 -3.03 0.00 0.00 36.82 35.38 1s04 h ILE 15 CO 0.14 0.12 -0.22 0.50 -0.68 0.00 0.00 178.15 178.01 1s04 h LYS 16 N 0.66 0.00 0.00 2.37 3.64 -1.45 -1.30 116.57 120.49 1s04 h LYS 16 Ca 0.34 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.61 1s04 h LYS 16 Cb 0.44 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1s04 h LYS 16 CO -0.12 0.22 -0.90 -0.07 -2.27 0.00 0.00 179.45 176.31 1s04 h LEU 17 N 0.00 0.00 0.00 5.20 4.07 -0.09 -3.19 115.31 121.29 1s04 h LEU 17 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1s04 h LEU 17 Cb 0.43 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1s04 h LEU 17 CO 0.03 0.45 0.00 0.54 -1.08 0.00 0.00 178.44 178.38 1s04 n ARG 18 N -3.02 0.84 0.05 1.13 1.74 0.84 -2.87 116.66 115.38 1s04 n ARG 18 Ca -0.03 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.15 1s04 n ARG 18 Cb 0.74 -1.43 0.40 0.00 -1.02 0.00 0.00 32.46 31.16 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 4.81 -1.07 -1.99 118.16 124.62 1s04 n LYS 19 Ca 0.17 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 1s04 n LYS 19 Cb 0.08 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 33.48 1s04 n LYS 19 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1s04 n LYS 20 N -1.81 1.59 0.00 1.64 4.81 -1.14 -4.97 118.16 118.29 1s04 n LYS 20 Ca 0.03 -0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.15 1s04 n LYS 20 Cb 0.22 -0.82 0.00 0.00 0.02 0.00 0.00 35.03 34.45 1s04 n LYS 20 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1s04 n LYS 21 N -0.32 0.00 -0.97 1.64 4.01 -0.84 -5.08 118.16 116.60 1s04 n LYS 21 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1s04 n LYS 21 Cb 0.01 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.53 1s04 n LYS 21 CO 0.00 0.00 0.00 1.51 -1.11 0.00 0.00 177.40 177.80 1s04 n ILE 22 N 0.00 0.00 -3.70 -0.18 0.13 0.16 -4.94 119.36 110.84 1s04 n ILE 22 Ca 0.00 0.00 -0.11 0.00 -1.10 0.00 0.00 62.75 61.54 1s04 n ILE 22 Cb 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 39.64 38.68 1s04 n ILE 22 CO 0.00 0.00 0.00 -0.70 2.80 0.00 0.00 176.55 178.65 1s04 s GLU 23 N -1.14 0.27 0.00 9.51 2.12 -1.16 -4.45 118.70 123.86 1s04 s GLU 23 Ca 0.00 0.71 -0.09 0.00 0.36 0.00 0.00 54.97 55.95 1s04 s GLU 23 Cb 0.00 -0.02 -0.05 0.00 0.26 0.00 0.00 34.13 34.32 1s04 s GLU 23 CO 0.00 -0.19 0.30 0.20 -0.54 0.00 0.00 175.26 175.03 1s04 s GLY 24 N 1.65 2.30 0.00 -1.50 0.00 -1.26 -1.94 107.32 106.57 1s04 s GLY 24 Ca -0.07 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.17 1s04 s GLY 24 CO -0.10 -0.24 0.00 -2.13 0.00 0.00 0.00 173.10 170.62 1s04 n ARG 25 N 1.32 0.00 -1.12 2.90 3.00 -1.25 -4.99 116.66 116.52 1s04 n ARG 25 Ca -0.12 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.36 1s04 n ARG 25 Cb 0.53 0.00 0.02 0.00 0.00 0.00 0.00 32.46 33.01 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 -4.19 -4.56 6.15 7.94 -1.26 -4.09 117.00 116.99 1s04 n LEU 26 Ca 0.00 0.49 -0.36 0.00 -1.11 0.00 0.00 56.01 55.03 1s04 n LEU 26 Cb 0.00 -0.79 -0.04 0.00 0.53 0.00 0.00 43.42 43.13 1s04 n LEU 26 CO 0.00 -4.94 1.40 -0.47 -1.11 0.00 0.00 177.39 172.27 1s04 s TYR 27 N -1.91 2.14 0.85 1.96 5.04 -1.26 -4.82 117.35 119.36 1s04 s TYR 27 Ca 0.50 -0.02 -0.08 0.00 -2.44 0.00 0.00 57.07 55.02 1s04 s TYR 27 Cb -0.38 -4.40 0.17 0.00 0.35 0.00 0.00 41.96 37.70 1s04 s TYR 27 CO 0.68 -1.95 1.17 -0.51 -1.34 0.00 0.00 175.55 173.60 1s04 s ASP 28 N 6.17 3.63 0.22 4.32 1.11 -1.26 -4.84 116.67 126.01 1s04 s ASP 28 Ca 0.55 -0.11 -0.09 0.00 0.18 0.00 0.00 52.55 53.08 1s04 s ASP 28 Cb -0.05 -0.06 0.17 0.00 1.07 0.00 0.00 42.92 44.05 1s04 s ASP 28 CO 0.01 -2.37 1.85 -0.33 1.18 0.00 0.00 175.17 175.51 1s04 h GLU 29 N -1.13 1.12 -0.18 8.23 4.39 -1.99 0.26 114.58 125.28 1s04 h GLU 29 Ca -0.40 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.16 1s04 h GLU 29 Cb 1.24 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 1s04 h GLU 29 CO 0.37 0.81 0.03 0.87 -1.16 0.00 0.00 179.01 179.93 1s04 h LYS 30 N 1.12 0.29 -0.98 2.33 1.57 -1.98 -2.74 116.57 116.18 1s04 h LYS 30 Ca 0.29 -0.08 0.07 0.00 -1.87 0.00 0.00 60.65 59.06 1s04 h LYS 30 Cb 0.00 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.21 1s04 h LYS 30 CO -0.05 0.46 0.63 0.00 -0.57 0.00 0.00 179.45 179.93 1s04 h ARG 31 N 0.08 1.09 -0.55 3.15 2.47 -1.83 0.07 114.38 118.86 1s04 h ARG 31 Ca 0.05 -0.07 0.08 0.00 -1.26 0.00 0.00 59.98 58.79 1s04 h ARG 31 Cb 0.31 -0.25 -0.07 0.00 -1.65 0.00 0.00 29.97 28.32 1s04 h ARG 31 CO 0.00 0.72 0.19 -0.09 0.56 0.00 0.00 179.97 181.35 1s04 h ARG 32 N 1.12 0.36 0.00 0.04 2.43 -0.66 0.14 114.38 117.80 1s04 h ARG 32 Ca 0.43 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.56 1s04 h ARG 32 Cb 0.22 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1s04 h ARG 32 CO -0.18 0.24 -0.11 1.96 -1.51 0.00 0.00 179.97 180.36 1s04 h GLN 33 N 0.37 0.00 -7.08 0.20 1.08 -1.05 -3.44 115.11 105.19 1s04 h GLN 33 Ca 0.27 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.98 1s04 h GLN 33 Cb 0.32 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 27.82 1s04 h GLN 33 CO -0.28 0.11 0.43 0.42 -0.95 0.00 0.00 178.83 178.56 1s04 s ILE 34 N -3.48 3.27 0.10 2.54 1.01 0.47 -5.04 121.20 120.07 1s04 s ILE 34 Ca 0.03 0.81 -0.08 0.00 0.00 0.00 0.00 60.65 61.40 1s04 s ILE 34 Cb 0.08 -3.33 -0.01 0.00 0.01 0.00 0.00 42.46 39.21 1s04 s ILE 34 CO 0.62 -0.16 0.20 -1.59 0.00 0.00 0.00 174.94 174.01 1s04 s LYS 35 N -3.22 0.90 -0.53 2.79 0.00 -1.26 -4.94 119.74 113.48 1s04 s LYS 35 Ca 0.71 -1.02 -0.28 0.00 0.00 0.00 0.00 55.97 55.38 1s04 s LYS 35 Cb -0.23 0.34 0.01 0.00 0.00 0.00 0.00 37.83 37.95 1s04 s LYS 35 CO 0.26 -0.29 1.48 -1.25 0.00 0.00 0.00 175.35 175.55 1s04 s PRO 36 N -3.89 3.28 0.00 1.78 0.04 -1.26 -3.09 135.00 131.87 1s04 s PRO 36 Ca 0.08 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1s04 s PRO 36 Cb 0.05 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1s04 s PRO 36 CO -0.08 -1.95 0.00 0.41 0.04 0.00 0.00 177.00 175.42 1s04 n GLY 37 N 5.28 0.98 3.09 0.56 0.00 0.46 -4.91 105.19 110.65 1s04 n GLY 37 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.88 -4.02 1.61 8.00 -1.18 -4.81 116.55 115.27 1s04 n ASP 38 Ca 0.00 -1.24 -0.10 0.00 0.71 0.00 0.00 54.79 54.17 1s04 n ASP 38 Cb 0.00 -0.85 -0.11 0.00 -0.02 0.00 0.00 41.12 40.14 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 -3.06 0.25 -0.09 2.53 1.01 -1.26 -2.68 120.40 117.10 1s04 s VAL 39 Ca 0.61 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1s04 s VAL 39 Cb -0.04 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.81 1s04 s VAL 39 CO 0.45 -0.54 -0.16 -0.63 0.00 0.00 0.00 175.10 174.21 1s04 s ILE 40 N -1.81 1.53 -0.21 2.22 1.09 0.59 0.17 121.20 124.77 1s04 s ILE 40 Ca -0.11 -0.69 -0.17 0.00 -1.10 0.00 0.00 60.65 58.58 1s04 s ILE 40 Cb -0.07 -1.38 -0.04 0.00 -1.06 0.00 0.00 42.46 39.92 1s04 s ILE 40 CO -0.02 0.45 0.45 -0.55 -0.10 0.00 0.00 174.94 175.17 1s04 s SER 41 N 0.74 6.47 -0.09 3.58 0.15 0.15 -2.52 113.70 122.19 1s04 s SER 41 Ca -0.12 0.56 -0.02 0.00 0.70 0.00 0.00 55.95 57.07 1s04 s SER 41 Cb -0.16 -2.26 -0.03 0.00 -1.71 0.00 0.00 66.02 61.86 1s04 s SER 41 CO 0.02 -0.15 -0.00 -0.36 1.20 0.00 0.00 173.24 173.96 1s04 s PHE 42 N 1.59 3.15 -1.60 3.44 0.08 0.77 0.18 117.98 125.58 1s04 s PHE 42 Ca 0.21 0.17 -0.13 0.00 0.12 0.00 0.00 56.93 57.31 1s04 s PHE 42 Cb -0.15 -1.79 0.10 0.00 -0.57 0.00 0.00 43.02 40.61 1s04 s PHE 42 CO 0.09 0.45 0.68 0.39 -0.10 0.00 0.00 175.22 176.73 1s04 n GLU 43 N 2.19 -3.33 0.00 0.44 -0.58 0.65 -0.85 120.64 119.17 1s04 n GLU 43 Ca -0.19 0.39 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 1s04 n GLU 43 Cb 0.54 -4.93 0.00 0.00 -0.57 0.00 0.00 31.44 26.47 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 -1.62 2.08 0.61 0.62 0.00 -1.26 -3.66 105.19 101.98 1s04 n GLY 44 Ca -0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.01 0.16 -0.02 0.00 -0.74 -4.85 105.19 99.72 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 0.47 -3.47 1.61 3.11 -1.06 -3.44 116.57 113.78 1s04 h LYS 46 Ca -0.19 -0.56 -0.33 0.00 -2.81 0.00 0.00 60.65 56.76 1s04 h LYS 46 Cb 0.78 0.17 -0.36 0.00 -1.00 0.00 0.00 32.23 31.83 1s04 h LYS 46 CO -0.10 1.20 -0.74 -1.17 -2.81 0.00 0.00 179.45 175.84 1s04 s LEU 47 N -7.71 0.75 -0.07 5.20 1.98 -1.16 -5.01 118.68 112.66 1s04 s LEU 47 Ca -0.07 0.04 0.03 0.00 -2.89 0.00 0.00 54.13 51.25 1s04 s LEU 47 Cb 0.08 -0.12 0.01 0.00 0.66 0.00 0.00 46.19 46.82 1s04 s LEU 47 CO 0.89 -0.17 -0.16 -0.54 -1.89 0.00 0.00 176.35 174.48 1s04 s LYS 48 N 1.46 2.13 0.08 1.98 3.01 -1.26 -0.16 119.74 126.99 1s04 s LYS 48 Ca -0.04 -0.58 0.05 0.00 -1.01 0.00 0.00 55.97 54.39 1s04 s LYS 48 Cb -0.13 -1.70 -0.03 0.00 -1.01 0.00 0.00 37.83 34.96 1s04 s LYS 48 CO -0.03 0.10 -0.15 0.14 0.51 0.00 0.00 175.35 175.93 1s04 s VAL 49 N 0.49 1.18 -0.17 3.17 -7.23 -1.05 -2.11 120.40 114.68 1s04 s VAL 49 Ca -0.15 -1.38 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 1s04 s VAL 49 Cb -0.16 -1.17 0.03 0.00 0.56 0.00 0.00 36.38 35.64 1s04 s VAL 49 CO 0.05 -0.24 -0.14 -0.60 -0.31 0.00 0.00 175.10 173.86 1s04 s ARG 50 N -1.89 2.37 -0.38 4.82 3.52 -0.91 -0.30 118.95 126.18 1s04 s ARG 50 Ca 0.00 -0.73 -0.43 0.00 -0.13 0.00 0.00 55.73 54.44 1s04 s ARG 50 Cb -0.09 -2.33 -0.17 0.00 -1.56 0.00 0.00 34.95 30.80 1s04 s ARG 50 CO 0.02 -0.30 1.74 0.28 -0.81 0.00 0.00 175.30 176.24 1s04 n VAL 51 N 4.70 0.17 -0.09 7.11 0.31 -1.09 -3.75 118.33 125.70 1s04 n VAL 51 Ca -0.17 -0.04 -0.18 0.00 -0.01 0.00 0.00 64.34 63.94 1s04 n VAL 51 Cb 0.49 -0.94 -0.12 0.00 -0.91 0.00 0.00 33.84 32.36 1s04 n VAL 51 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1s04 h LYS 52 N 6.78 0.00 -2.14 5.55 3.64 -0.20 0.13 116.57 130.33 1s04 h LYS 52 Ca -0.42 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.95 1s04 h LYS 52 Cb 1.34 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.98 1s04 h LYS 52 CO 0.98 1.00 0.29 0.00 -2.27 0.00 0.00 179.45 179.45 1s04 s ALA 53 N -2.29 -1.77 -0.02 5.00 0.00 -1.23 -4.74 121.76 116.71 1s04 s ALA 53 Ca -0.24 1.18 0.02 0.00 0.00 0.00 0.00 51.96 52.92 1s04 s ALA 53 Cb 0.01 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1s04 s ALA 53 CO 0.64 -0.47 -0.03 -1.50 0.00 0.00 0.00 175.76 174.40 1s04 s ILE 54 N -1.87 3.94 0.03 0.00 1.10 -1.26 -1.03 121.20 122.11 1s04 s ILE 54 Ca -0.05 -0.61 -0.01 0.00 -0.51 0.00 0.00 60.65 59.46 1s04 s ILE 54 Cb -0.00 -2.72 -0.02 0.00 0.15 0.00 0.00 42.46 39.87 1s04 s ILE 54 CO 0.02 0.43 -0.02 -0.13 -2.11 0.00 0.00 174.94 173.13 1s04 s ARG 55 N -1.36 0.43 -0.01 3.50 1.81 -1.21 -5.01 118.95 117.11 1s04 s ARG 55 Ca 0.17 -0.80 0.05 0.00 -1.72 0.00 0.00 55.73 53.43 1s04 s ARG 55 Cb -0.11 0.15 -0.01 0.00 -0.45 0.00 0.00 34.95 34.52 1s04 s ARG 55 CO 0.07 -0.08 -0.17 0.08 -0.68 0.00 0.00 175.30 174.52 1s04 s VAL 56 N -2.29 1.37 0.32 3.52 1.01 -1.26 -2.53 120.40 120.53 1s04 s VAL 56 Ca -0.08 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1s04 s VAL 56 Cb -0.04 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1s04 s VAL 56 CO -0.04 0.35 0.12 -0.31 0.00 0.00 0.00 175.10 175.22 1s04 s TYR 57 N -0.46 1.69 0.03 5.22 1.51 0.19 -4.95 117.35 120.58 1s04 s TYR 57 Ca 0.06 -1.23 -0.18 0.00 -1.01 0.00 0.00 57.07 54.71 1s04 s TYR 57 Cb -0.07 -1.00 -0.22 0.00 -0.11 0.00 0.00 41.96 40.56 1s04 s TYR 57 CO -0.00 -0.34 1.15 -0.97 -1.11 0.00 0.00 175.55 174.28 1s04 h ASN 58 N 2.16 0.63 -5.23 2.29 -0.73 -1.92 -3.27 115.58 109.51 1s04 h ASN 58 Ca -0.36 -0.72 -0.11 0.00 1.87 0.00 0.00 56.30 56.98 1s04 h ASN 58 Cb 1.25 -0.19 -0.05 0.00 0.27 0.00 0.00 38.32 39.60 1s04 h ASN 58 CO 0.58 1.27 0.04 -0.44 -0.37 0.00 0.00 177.43 178.51 1s04 s SER 59 N -6.83 0.29 0.26 1.15 0.01 -1.26 -4.50 113.70 102.82 1s04 s SER 59 Ca -0.12 -1.18 -0.02 0.00 1.31 0.00 0.00 55.95 55.94 1s04 s SER 59 Cb 0.05 0.73 0.35 0.00 0.21 0.00 0.00 66.02 67.36 1s04 s SER 59 CO 0.84 -1.43 1.77 -0.26 0.41 0.00 0.00 173.24 174.57 1s04 h PHE 60 N 2.08 0.83 -0.54 2.43 0.04 -1.93 -2.76 116.94 117.09 1s04 h PHE 60 Ca -0.28 -0.11 0.06 0.00 2.80 0.00 0.00 57.97 60.43 1s04 h PHE 60 Cb 1.25 -0.23 -0.05 0.00 2.20 0.00 0.00 35.95 39.12 1s04 h PHE 60 CO 1.16 0.77 0.26 -0.09 -0.60 0.00 0.00 178.31 179.80 1s04 h ARG 61 N 0.73 0.48 -0.09 1.51 9.65 -1.96 0.42 114.38 125.12 1s04 h ARG 61 Ca 0.14 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.97 1s04 h ARG 61 Cb 0.44 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.90 1s04 h ARG 61 CO 0.02 0.32 -0.08 0.93 2.80 0.00 0.00 179.97 183.96 1s04 h GLU 62 N 0.49 0.13 -0.00 0.20 5.08 -1.91 1.50 114.58 120.07 1s04 h GLU 62 Ca 0.25 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1s04 h GLU 62 Cb 0.19 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1s04 h GLU 62 CO -0.19 0.22 -0.08 0.52 -1.00 0.00 0.00 179.01 178.48 1s04 h MET 63 N 0.13 0.06 -0.01 2.33 2.86 -0.77 0.20 114.93 119.73 1s04 h MET 63 Ca 0.03 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.48 1s04 h MET 63 Cb 0.22 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1s04 h MET 63 CO 0.01 0.81 -0.61 -0.07 1.06 0.00 0.00 176.91 178.12 1s04 h LEU 64 N -0.68 0.02 -0.02 1.22 3.38 -0.01 1.43 115.31 120.65 1s04 h LEU 64 Ca -0.01 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1s04 h LEU 64 Cb 0.84 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.59 1s04 h LEU 64 CO 0.02 0.62 -0.53 -0.33 0.09 0.00 0.00 178.44 178.31 1s04 h GLU 65 N 0.01 0.39 0.00 1.13 4.39 0.21 1.00 114.58 121.71 1s04 h GLU 65 Ca -0.01 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1s04 h GLU 65 Cb 1.07 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1s04 h GLU 65 CO 0.08 1.06 -0.10 -0.22 -1.16 0.00 0.00 179.01 178.68 1s04 h LYS 66 N -0.12 0.00 0.33 2.33 3.64 -0.55 -3.40 116.57 118.81 1s04 h LYS 66 Ca -0.06 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1s04 h LYS 66 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1s04 h LYS 66 CO 0.11 0.00 -0.16 1.49 -2.27 0.00 0.00 179.45 178.62 1s04 h GLU 67 N -0.56 -0.42 0.00 1.90 4.22 0.18 -3.49 114.58 116.40 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 0.10 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1s04 h GLU 67 CO 0.00 -0.26 0.00 0.41 -2.18 0.00 0.00 179.01 176.98 1s04 n GLY 68 N -1.19 3.96 0.50 1.92 0.00 -0.32 -4.75 105.19 105.31 1s04 n GLY 68 Ca -0.10 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.16 0.00 0.99 5.85 -1.15 -0.77 115.31 119.07 1s04 h LEU 69 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1s04 h LEU 69 Cb 0.00 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.36 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 0.01 -0.30 1.25 1.02 -1.26 0.29 120.64 116.04 1s04 n GLU 70 Ca -0.15 0.33 0.09 0.00 -0.02 0.00 0.00 57.16 57.42 1s04 n GLU 70 Cb 0.49 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.66 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 -1.49 3.14 0.00 1.62 3.02 -0.36 -4.31 115.26 116.88 1s04 n ASN 71 Ca 0.02 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 1s04 n ASN 71 Cb 0.11 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 1s04 n ASN 71 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1s04 n VAL 72 N 1.21 0.00 -4.00 2.41 0.31 0.23 0.39 118.33 118.89 1s04 n VAL 72 Ca 0.20 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.22 1s04 n VAL 72 Cb 0.50 -0.63 -0.15 0.00 -0.91 0.00 0.00 33.84 32.65 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 -5.16 4.68 -0.30 7.52 2.96 0.15 -4.44 118.68 124.08 1s04 s LEU 73 Ca 0.00 -2.35 -0.29 0.00 -0.22 0.00 0.00 54.13 51.27 1s04 s LEU 73 Cb 0.00 -1.64 -0.00 0.00 0.50 0.00 0.00 46.19 45.05 1s04 s LEU 73 CO 0.00 -0.35 1.35 -2.16 -1.32 0.00 0.00 176.35 173.87 1s04 s PRO 74 N 0.63 3.88 0.00 0.98 0.04 -1.26 -2.45 135.00 136.82 1s04 s PRO 74 Ca 0.12 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1s04 s PRO 74 Cb -0.21 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1s04 s PRO 74 CO -0.06 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.22 1s04 n GLY 75 N 4.40 2.20 3.09 0.56 0.00 -1.26 -5.08 105.19 109.10 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 -0.75 0.00 0.03 1.61 3.14 -1.03 -4.87 118.33 116.46 1s04 n VAL 76 Ca 0.00 -0.48 -0.12 0.00 -2.96 0.00 0.00 64.34 60.78 1s04 n VAL 76 Cb 0.00 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 32.64 1s04 n VAL 76 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 1s04 h LYS 77 N -0.20 0.11 -1.40 1.45 1.57 -1.92 -3.49 116.57 112.68 1s04 h LYS 77 Ca -0.40 -0.19 0.32 0.00 -1.87 0.00 0.00 60.65 58.51 1s04 h LYS 77 Cb 1.37 0.07 -0.13 0.00 0.08 0.00 0.00 32.23 33.62 1s04 h LYS 77 CO 0.37 0.88 0.84 -1.12 -0.57 0.00 0.00 179.45 179.85 1s04 s SER 78 N -6.62 -0.06 0.21 0.86 0.01 -1.26 -4.95 113.70 101.89 1s04 s SER 78 Ca -0.06 -0.10 -0.09 0.00 1.31 0.00 0.00 55.95 57.01 1s04 s SER 78 Cb 0.08 0.14 0.25 0.00 0.21 0.00 0.00 66.02 66.70 1s04 s SER 78 CO 0.83 -0.26 1.80 0.40 0.41 0.00 0.00 173.24 176.42 1s04 h ILE 79 N 2.00 0.93 -0.50 1.44 2.04 -1.99 0.25 117.51 121.68 1s04 h ILE 79 Ca -0.27 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.31 1s04 h ILE 79 Cb 1.19 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1s04 h ILE 79 CO 0.27 0.12 0.07 -0.33 0.00 0.00 0.00 178.15 178.28 1s04 h GLU 80 N 0.63 0.85 -0.76 2.37 5.08 -2.01 -2.69 114.58 118.05 1s04 h GLU 80 Ca 0.30 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1s04 h GLU 80 Cb 0.23 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1s04 h GLU 80 CO -0.20 0.85 0.43 0.93 -1.00 0.00 0.00 179.01 180.01 1s04 h GLU 81 N 0.72 1.04 -0.40 2.33 4.39 -1.64 -2.47 114.58 118.54 1s04 h GLU 81 Ca 0.15 -0.11 0.06 0.00 0.34 0.00 0.00 59.36 59.81 1s04 h GLU 81 Cb 0.42 -0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 28.81 1s04 h GLU 81 CO 0.01 0.75 0.09 0.78 -1.16 0.00 0.00 179.01 179.48 1s04 h GLY 82 N 1.09 0.48 0.76 -3.84 0.00 -0.23 -1.11 103.07 100.21 1s04 h GLY 82 Ca 0.27 -0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.62 1s04 h GLY 82 CO -0.05 -0.03 0.46 -2.22 0.00 0.00 0.00 176.54 174.70 1s04 h ILE 83 N 0.22 1.04 -0.95 2.60 2.04 -1.29 -0.49 117.51 120.68 1s04 h ILE 83 Ca 0.19 -0.29 0.12 0.00 1.00 0.00 0.00 64.86 65.88 1s04 h ILE 83 Cb 0.23 0.11 -0.08 0.00 -0.74 0.00 0.00 36.82 36.34 1s04 h ILE 83 CO -0.25 0.16 0.60 1.56 0.00 0.00 0.00 178.15 180.22 1s04 h GLN 84 N 0.85 0.88 0.35 2.37 7.50 -0.93 0.47 115.11 126.60 1s04 h GLN 84 Ca 0.32 -0.05 -0.02 0.00 0.50 0.00 0.00 58.65 59.40 1s04 h GLN 84 Cb 0.13 -0.20 0.00 0.00 0.05 0.00 0.00 27.48 27.46 1s04 h GLN 84 CO -0.16 0.58 -0.17 0.28 -1.50 0.00 0.00 178.83 177.86 1s04 h VAL 85 N 0.90 0.65 0.00 -0.54 2.07 -0.33 -0.74 116.25 118.26 1s04 h VAL 85 Ca 0.46 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1s04 h VAL 85 Cb 0.51 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1s04 h VAL 85 CO -0.22 0.08 -0.01 1.88 0.02 0.00 0.00 177.57 179.31 1s04 h TYR 86 N -0.72 0.00 -0.01 1.57 0.05 -0.54 0.11 116.97 117.43 1s04 h TYR 86 Ca -0.05 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.70 1s04 h TYR 86 Cb 0.50 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.24 1s04 h TYR 86 CO 0.01 0.01 -0.12 0.00 -1.05 0.00 0.00 178.16 177.01 1s04 h ARG 87 N 0.00 0.10 0.00 4.88 2.47 0.30 0.84 114.38 122.96 1s04 h ARG 87 Ca -0.00 -0.09 -0.04 0.00 -1.26 0.00 0.00 59.98 58.59 1s04 h ARG 87 Cb 0.05 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 1s04 h ARG 87 CO 0.00 0.81 -0.17 0.07 0.56 0.00 0.00 179.97 181.24 1s04 h ARG 88 N -0.58 0.00 0.00 0.04 0.11 -0.48 -3.28 114.38 110.18 1s04 h ARG 88 Ca -0.01 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.97 1s04 h ARG 88 Cb 0.85 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.91 1s04 h ARG 88 CO 0.02 0.17 -0.76 0.74 0.10 0.00 0.00 179.97 180.25 1s04 h PHE 89 N 0.00 0.00 -2.71 4.08 0.04 -0.81 -3.48 116.94 114.06 1s04 h PHE 89 Ca -0.00 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 1s04 h PHE 89 Cb 0.69 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.78 1s04 h PHE 89 CO 0.00 0.68 -0.53 0.71 -0.60 0.00 0.00 178.31 178.57 1s04 s TYR 90 N -2.24 3.28 0.40 -0.55 2.02 0.29 -5.06 117.35 115.49 1s04 s TYR 90 Ca -0.20 0.05 -0.25 0.00 -0.37 0.00 0.00 57.07 56.30 1s04 s TYR 90 Cb 0.03 -1.58 -0.08 0.00 -0.40 0.00 0.00 41.96 39.92 1s04 s TYR 90 CO 0.38 0.52 1.13 -0.51 -1.57 0.00 0.00 175.55 175.51 1s04 s ASP 91 N -3.04 6.57 0.04 2.29 1.11 -1.26 -4.19 116.67 118.18 1s04 s ASP 91 Ca 0.32 2.24 -0.19 0.00 0.18 0.00 0.00 52.55 55.11 1s04 s ASP 91 Cb -0.11 -2.60 -0.17 0.00 1.07 0.00 0.00 42.92 41.11 1s04 s ASP 91 CO 0.25 -0.64 1.25 -0.08 1.18 0.00 0.00 175.17 177.13 1s04 h GLU 92 N 2.55 0.47 -0.43 8.23 4.22 -1.91 -1.50 114.58 126.21 1s04 h GLU 92 Ca -0.49 -0.35 0.07 0.00 0.08 0.00 0.00 59.36 58.67 1s04 h GLU 92 Cb 1.23 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.48 1s04 h GLU 92 CO 0.62 0.97 0.11 1.49 -2.18 0.00 0.00 179.01 180.02 1s04 h GLU 93 N 0.06 0.24 -0.35 1.92 4.57 -1.98 0.63 114.58 119.68 1s04 h GLU 93 Ca -0.01 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.07 1s04 h GLU 93 Cb 1.01 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.53 1s04 h GLU 93 CO 0.08 0.16 -0.14 0.87 -1.18 0.00 0.00 179.01 178.80 1s04 h LYS 94 N 0.25 0.62 0.28 1.92 1.79 -1.96 0.97 116.57 120.44 1s04 h LYS 94 Ca 0.21 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1s04 h LYS 94 Cb 0.25 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1s04 h LYS 94 CO -0.26 0.74 -0.14 1.49 -1.08 0.00 0.00 179.45 180.21 1s04 h GLU 95 N 0.56 -0.37 0.00 3.15 4.57 0.01 -2.11 114.58 120.39 1s04 h GLU 95 Ca 0.10 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 1s04 h GLU 95 Cb 0.57 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1s04 h GLU 95 CO 0.04 -0.10 -0.04 1.57 -1.18 0.00 0.00 179.01 179.30 1s04 h LYS 96 N -0.61 0.00 0.77 1.92 2.10 0.29 1.69 116.57 122.73 1s04 h LYS 96 Ca -0.04 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.57 1s04 h LYS 96 Cb 0.44 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.77 1s04 h LYS 96 CO 0.06 0.04 -0.37 -0.22 -2.00 0.00 0.00 179.45 176.96 1s04 h LYS 97 N 0.00 -1.00 0.00 0.07 3.64 -0.32 -3.40 116.57 115.56 1s04 h LYS 97 Ca -0.00 0.07 -0.21 0.00 -1.27 0.00 0.00 60.65 59.24 1s04 h LYS 97 Cb 0.31 0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1s04 h LYS 97 CO 0.01 -0.66 -1.65 0.66 -2.27 0.00 0.00 179.45 175.53 1s04 n TYR 98 N -5.47 0.06 0.00 1.91 4.01 -0.84 -5.08 117.16 111.75 1s04 n TYR 98 Ca -0.13 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1s04 n TYR 98 Cb 0.41 -0.74 0.00 0.00 -0.31 0.00 0.00 39.34 38.70 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 1.38 0.41 2.93 2.72 0.00 0.57 -4.95 105.19 108.24 1s04 n GLY 99 Ca -0.32 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.57 1s04 n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s04 s VAL 100 N 0.00 0.05 -0.22 1.61 1.01 -1.23 -4.49 120.40 117.12 1s04 s VAL 100 Ca 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 1s04 s VAL 100 Cb 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 36.38 36.32 1s04 s VAL 100 CO 0.00 -0.21 0.06 0.68 0.00 0.00 0.00 175.10 175.63 1s04 s VAL 101 N -0.62 0.45 -0.76 2.92 -7.23 -1.26 0.56 120.40 114.46 1s04 s VAL 101 Ca -0.07 -0.68 -0.26 0.00 -1.81 0.00 0.00 61.98 59.16 1s04 s VAL 101 Cb -0.04 -1.08 0.01 0.00 0.56 0.00 0.00 36.38 35.83 1s04 s VAL 101 CO -0.00 -0.36 1.53 0.00 -0.31 0.00 0.00 175.10 175.96 1s04 s ALA 102 N 1.88 2.48 -0.19 1.32 0.00 -1.05 -3.84 121.76 122.36 1s04 s ALA 102 Ca 0.02 -1.33 -0.21 0.00 0.00 0.00 0.00 51.96 50.45 1s04 s ALA 102 Cb -0.17 -4.34 -0.03 0.00 0.00 0.00 0.00 23.12 18.58 1s04 s ALA 102 CO -0.14 -3.65 0.64 0.42 0.00 0.00 0.00 175.76 173.02 1s04 s ILE 103 N 6.95 5.02 -0.54 0.00 1.09 -0.82 -3.30 121.20 129.60 1s04 s ILE 103 Ca 0.49 1.21 -0.28 0.00 -1.10 0.00 0.00 60.65 60.97 1s04 s ILE 103 Cb -0.08 -3.95 0.02 0.00 -1.06 0.00 0.00 42.46 37.38 1s04 s ILE 103 CO 0.11 0.12 1.36 -0.70 -0.10 0.00 0.00 174.94 175.73 1s04 s GLU 104 N 1.86 3.40 -0.15 2.79 2.12 -0.19 -3.00 118.70 125.52 1s04 s GLU 104 Ca 0.29 0.50 -0.06 0.00 0.36 0.00 0.00 54.97 56.06 1s04 s GLU 104 Cb -0.16 -4.08 -0.04 0.00 0.26 0.00 0.00 34.13 30.11 1s04 s GLU 104 CO 0.11 -1.81 0.07 0.96 -0.54 0.00 0.00 175.26 174.05 1s04 s ILE 105 N 5.70 4.93 -0.17 -3.70 -5.25 -1.26 0.59 121.20 122.04 1s04 s ILE 105 Ca 0.52 0.00 -0.04 0.00 -0.99 0.00 0.00 60.65 60.15 1s04 s ILE 105 Cb -0.10 -3.17 0.06 0.00 2.95 0.00 0.00 42.46 42.19 1s04 s ILE 105 CO 0.27 0.53 0.06 -0.70 -1.79 0.00 0.00 174.94 173.31 1s04 s GLU 106 N -0.27 0.37 -0.25 0.37 2.12 -1.25 -4.32 118.70 115.47 1s04 s GLU 106 Ca 0.09 -0.20 -0.29 0.00 0.36 0.00 0.00 54.97 54.92 1s04 s GLU 106 Cb -0.12 -1.84 -0.01 0.00 0.26 0.00 0.00 34.13 32.43 1s04 s GLU 106 CO 0.01 -0.61 1.33 -1.25 -0.54 0.00 0.00 175.26 174.20 1s04 s PRO 107 N 2.00 3.99 -1.30 4.30 0.04 -1.26 -2.14 135.00 140.63 1s04 s PRO 107 Ca 0.01 1.41 -0.09 0.00 0.04 0.00 0.00 61.00 62.37 1s04 s PRO 107 Cb -0.16 -3.87 0.15 0.00 0.04 0.00 0.00 34.50 30.67 1s04 s PRO 107 CO -0.08 -1.03 1.95 1.47 0.04 0.00 0.00 177.00 179.35 1s04 n LEU 108 N 7.45 6.80 0.00 -3.56 -0.00 -0.90 -4.85 117.00 121.95 1s04 n LEU 108 Ca 0.15 -4.64 0.00 0.00 -0.00 0.00 0.00 56.01 51.52 1s04 n LEU 108 Cb 0.46 -1.48 0.00 0.00 -0.00 0.00 0.00 43.42 42.40 1s04 n LEU 108 CO 0.61 1.43 0.00 1.21 -0.00 0.00 0.00 177.39 180.64 1s04 n GLU 109 N 3.79 3.06 0.00 1.47 4.07 -1.26 -4.94 120.64 126.84 1s04 n GLU 109 Ca 0.42 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.65 1s04 n GLU 109 Cb 0.35 0.00 0.76 0.00 -0.06 0.00 0.00 31.44 32.49 1s04 n GLU 109 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73