#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 3.08 0.19 3.17 2.12 -1.26 -4.19 118.70 121.80 1s04 s GLU 2 Ca 0.00 1.63 -0.09 0.00 0.36 0.00 0.00 54.97 56.86 1s04 s GLU 2 Cb 0.00 -4.32 -0.07 0.00 0.26 0.00 0.00 34.13 30.00 1s04 s GLU 2 CO 0.00 -2.16 0.50 -1.58 -0.54 0.00 0.00 175.26 171.48 1s04 s TRP 3 N 8.17 3.47 -0.08 5.30 0.52 0.13 -4.96 118.94 131.49 1s04 s TRP 3 Ca 0.90 0.82 0.01 0.00 0.02 0.00 0.00 56.10 57.84 1s04 s TRP 3 Cb -0.26 -2.21 0.02 0.00 -1.15 0.00 0.00 33.47 29.87 1s04 s TRP 3 CO 0.33 0.34 -0.08 -1.83 0.02 0.00 0.00 176.95 175.73 1s04 s GLU 4 N -2.62 1.36 0.01 4.98 -1.05 -1.26 0.12 118.70 120.25 1s04 s GLU 4 Ca 0.44 -0.24 0.00 0.00 -0.15 0.00 0.00 54.97 55.01 1s04 s GLU 4 Cb -0.12 -1.32 -0.00 0.00 -0.44 0.00 0.00 34.13 32.25 1s04 s GLU 4 CO 0.21 -0.14 0.00 -1.33 0.95 0.00 0.00 175.26 174.96 1s04 n MET 5 N 4.41 1.21 -3.72 -4.83 2.81 0.49 -4.91 117.12 112.59 1s04 n MET 5 Ca -0.18 -0.07 -0.14 0.00 -1.81 0.00 0.00 57.70 55.50 1s04 n MET 5 Cb 0.51 0.03 -0.08 0.00 -0.71 0.00 0.00 33.22 32.97 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 -1.05 -0.23 -0.16 3.03 0.00 -1.26 -0.37 107.32 107.28 1s04 s GLY 6 Ca 0.00 0.46 -0.34 0.00 0.00 0.00 0.00 44.72 44.84 1s04 s GLY 6 CO 0.00 0.23 1.20 0.48 0.00 0.00 0.00 173.10 175.01 1s04 s LEU 7 N -1.39 -0.14 0.27 0.66 2.34 -1.26 -4.87 118.68 114.29 1s04 s LEU 7 Ca -0.12 -0.02 -0.29 0.00 0.06 0.00 0.00 54.13 53.76 1s04 s LEU 7 Cb -0.04 1.43 -0.14 0.00 -0.56 0.00 0.00 46.19 46.88 1s04 s LEU 7 CO 0.04 -0.27 1.08 0.00 -1.06 0.00 0.00 176.35 176.15 1s04 n GLN 8 N -0.14 1.44 -0.26 1.48 6.02 -1.26 -4.72 117.38 119.94 1s04 n GLN 8 Ca -0.01 0.51 0.15 0.00 -0.01 0.00 0.00 57.00 57.64 1s04 n GLN 8 Cb 0.59 -1.93 0.43 0.00 1.02 0.00 0.00 30.24 30.35 1s04 n GLN 8 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1s04 h GLU 9 N 2.39 0.55 -0.40 -1.09 4.81 -2.00 0.41 114.58 119.25 1s04 h GLU 9 Ca -0.41 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.77 1s04 h GLU 9 Cb 1.33 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1s04 h GLU 9 CO 0.63 0.37 0.16 0.93 -0.73 0.00 0.00 179.01 180.37 1s04 h GLU 10 N 0.57 0.55 -0.13 1.92 5.08 -2.01 -2.21 114.58 118.35 1s04 h GLU 10 Ca 0.47 -0.07 -0.22 0.00 -1.00 0.00 0.00 59.36 58.55 1s04 h GLU 10 Cb 0.94 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.09 1s04 h GLU 10 CO -0.21 0.46 -0.78 0.74 -1.00 0.00 0.00 179.01 178.21 1s04 h PHE 11 N 0.55 0.96 -0.81 4.33 0.04 -0.56 -2.79 116.94 118.65 1s04 h PHE 11 Ca 0.14 -0.43 0.11 0.00 2.80 0.00 0.00 57.97 60.59 1s04 h PHE 11 Cb 0.10 -0.15 -0.08 0.00 2.20 0.00 0.00 35.95 38.03 1s04 h PHE 11 CO 0.00 1.25 0.44 -0.07 -0.60 0.00 0.00 178.31 179.33 1s04 h LEU 12 N 0.48 0.58 -0.89 1.54 4.07 -0.67 0.16 115.31 120.57 1s04 h LEU 12 Ca -0.05 0.07 -0.11 0.00 0.08 0.00 0.00 57.88 57.87 1s04 h LEU 12 Cb 1.40 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 43.09 1s04 h LEU 12 CO 0.15 0.30 -0.32 -0.08 -1.08 0.00 0.00 178.44 177.42 1s04 h GLU 13 N 0.69 0.43 -0.10 1.13 4.57 -1.44 -2.35 114.58 117.51 1s04 h GLU 13 Ca 0.42 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.40 1s04 h GLU 13 Cb 0.48 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1s04 h GLU 13 CO -0.30 0.71 0.02 -0.07 -1.18 0.00 0.00 179.01 178.19 1s04 h LEU 14 N 0.38 0.12 -0.18 1.64 3.38 -0.46 -0.91 115.31 119.29 1s04 h LEU 14 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1s04 h LEU 14 Cb 0.75 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1s04 h LEU 14 CO 0.06 0.13 0.07 0.40 0.09 0.00 0.00 178.44 179.19 1s04 h ILE 15 N 0.14 1.16 0.00 1.22 5.03 -0.71 1.93 117.51 126.28 1s04 h ILE 15 Ca 0.04 -0.47 -0.02 0.00 -0.12 0.00 0.00 64.86 64.28 1s04 h ILE 15 Cb 0.06 1.14 -0.00 0.00 -3.03 0.00 0.00 36.82 34.99 1s04 h ILE 15 CO -0.00 0.15 -0.08 0.50 -0.68 0.00 0.00 178.15 178.04 1s04 h LYS 16 N 0.14 0.00 0.05 2.37 3.64 -1.29 0.21 116.57 121.68 1s04 h LYS 16 Ca 0.06 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.26 1s04 h LYS 16 Cb 0.17 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1s04 h LYS 16 CO -0.00 0.08 -0.95 -0.07 -2.27 0.00 0.00 179.45 176.24 1s04 h LEU 17 N 0.00 0.15 0.00 5.20 3.38 -0.19 -3.30 115.31 120.55 1s04 h LEU 17 Ca -0.00 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1s04 h LEU 17 Cb 0.40 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1s04 h LEU 17 CO 0.01 1.40 0.00 -2.11 0.09 0.00 0.00 178.44 177.83 1s04 n ARG 18 N -4.29 0.86 0.15 1.13 1.85 0.65 -3.00 116.66 114.01 1s04 n ARG 18 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.62 1s04 n ARG 18 Cb 0.71 -1.34 0.25 0.00 -1.05 0.00 0.00 32.46 31.03 1s04 n ARG 18 CO 0.00 0.00 0.00 1.57 -0.01 0.00 0.00 177.63 179.19 1s04 h LYS 19 N 0.00 0.02 -0.12 2.89 2.10 -0.66 -1.28 116.57 119.52 1s04 h LYS 19 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 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 0.52 0.00 1.17 -2.00 0.00 0.00 179.45 179.14 1s04 n LYS 20 N -3.94 1.32 0.00 0.07 0.00 -1.16 -4.65 118.16 109.79 1s04 n LYS 20 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 58.31 57.80 1s04 n LYS 20 Cb 0.52 -1.17 0.00 0.00 0.00 0.00 0.00 35.03 34.38 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 -0.15 0.00 -3.84 1.64 5.02 -0.60 -5.11 118.16 115.12 1s04 n LYS 21 Ca 0.07 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.30 1s04 n LYS 21 Cb 0.13 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.17 1s04 n LYS 21 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1s04 s ILE 22 N 1.40 0.00 -0.17 -0.18 -1.09 0.19 -4.96 121.20 116.39 1s04 s ILE 22 Ca 0.00 -0.85 -0.04 0.00 -2.23 0.00 0.00 60.65 57.53 1s04 s ILE 22 Cb 0.00 -2.96 0.08 0.00 -1.58 0.00 0.00 42.46 38.00 1s04 s ILE 22 CO 0.00 0.00 0.18 -0.70 -1.23 0.00 0.00 174.94 173.19 1s04 s GLU 23 N -2.14 0.13 0.29 2.79 2.12 -1.16 -4.13 118.70 116.60 1s04 s GLU 23 Ca 0.18 0.21 -0.09 0.00 0.36 0.00 0.00 54.97 55.63 1s04 s GLU 23 Cb -0.04 -1.17 -0.07 0.00 0.26 0.00 0.00 34.13 33.11 1s04 s GLU 23 CO 0.10 -0.59 0.62 0.20 -0.54 0.00 0.00 175.26 175.04 1s04 s GLY 24 N 2.28 2.10 0.00 -1.50 0.00 -1.26 -2.44 107.32 106.50 1s04 s GLY 24 Ca 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.47 1s04 s GLY 24 CO -0.10 -0.15 0.00 -2.13 0.00 0.00 0.00 173.10 170.72 1s04 n ARG 25 N -0.62 0.00 -1.25 2.90 0.63 -1.23 -4.99 116.66 112.09 1s04 n ARG 25 Ca 0.01 0.00 -0.48 0.00 -0.92 0.00 0.00 57.85 56.46 1s04 n ARG 25 Cb 0.53 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.39 1s04 n ARG 25 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1s04 n LEU 26 N 0.00 -0.28 -4.67 6.15 7.94 -1.26 -3.98 117.00 120.89 1s04 n LEU 26 Ca 0.00 0.98 -0.30 0.00 -1.11 0.00 0.00 56.01 55.58 1s04 n LEU 26 Cb 0.00 -0.79 0.16 0.00 0.53 0.00 0.00 43.42 43.32 1s04 n LEU 26 CO 0.00 -1.86 0.65 -0.47 -1.11 0.00 0.00 177.39 174.60 1s04 s TYR 27 N -0.22 2.01 0.14 1.96 5.04 -1.26 -4.88 117.35 120.14 1s04 s TYR 27 Ca 0.71 1.43 -0.16 0.00 -2.44 0.00 0.00 57.07 56.61 1s04 s TYR 27 Cb -1.00 -3.18 0.06 0.00 0.35 0.00 0.00 41.96 38.19 1s04 s TYR 27 CO 0.48 -2.68 0.76 -0.25 -1.34 0.00 0.00 175.55 172.53 1s04 n ASP 28 N -4.11 -1.30 0.01 4.32 8.00 -1.26 -4.96 116.55 117.26 1s04 n ASP 28 Ca 0.08 -1.68 -0.10 0.00 0.71 0.00 0.00 54.79 53.79 1s04 n ASP 28 Cb 0.54 2.11 -0.05 0.00 -0.02 0.00 0.00 41.12 43.70 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 -0.04 -0.36 -1.24 5.08 -1.98 0.69 114.58 116.72 1s04 h GLU 29 Ca -0.20 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1s04 h GLU 29 Cb 0.89 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 1s04 h GLU 29 CO 0.27 -0.03 0.17 0.87 -1.00 0.00 0.00 179.01 179.29 1s04 h LYS 30 N -0.04 0.34 -0.71 2.33 1.57 -2.00 -1.85 116.57 116.20 1s04 h LYS 30 Ca 0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1s04 h LYS 30 Cb 0.11 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1s04 h LYS 30 CO -0.10 0.22 0.41 -0.09 -0.57 0.00 0.00 179.45 179.32 1s04 h ARG 31 N 0.35 0.98 -0.94 3.15 9.65 -1.80 -2.11 114.38 123.66 1s04 h ARG 31 Ca 0.16 -0.10 0.18 0.00 -1.10 0.00 0.00 59.98 59.11 1s04 h ARG 31 Cb 0.08 -0.20 -0.10 0.00 -1.39 0.00 0.00 29.97 28.36 1s04 h ARG 31 CO -0.12 0.71 0.52 -0.09 2.80 0.00 0.00 179.97 183.79 1s04 h ARG 32 N 0.97 0.65 0.00 0.20 2.43 0.12 0.72 114.38 119.47 1s04 h ARG 32 Ca 0.25 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 1s04 h ARG 32 Cb 0.00 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1s04 h ARG 32 CO -0.04 0.43 -0.28 1.96 -1.51 0.00 0.00 179.97 180.53 1s04 h GLN 33 N 0.67 0.00 -6.33 0.20 4.20 -0.82 -3.42 115.11 109.60 1s04 h GLN 33 Ca 0.54 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.70 1s04 h GLN 33 Cb 0.83 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 1s04 h GLN 33 CO -0.39 0.28 0.71 0.42 -0.67 0.00 0.00 178.83 179.17 1s04 s ILE 34 N -3.83 4.17 0.18 2.54 1.01 0.25 -4.98 121.20 120.54 1s04 s ILE 34 Ca -0.01 1.51 0.00 0.00 0.00 0.00 0.00 60.65 62.15 1s04 s ILE 34 Cb 0.12 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1s04 s ILE 34 CO 0.66 0.01 0.06 -1.59 0.00 0.00 0.00 174.94 174.07 1s04 s LYS 35 N 2.16 1.10 -0.88 2.79 0.00 -1.26 -4.95 119.74 118.71 1s04 s LYS 35 Ca 0.57 -1.55 -0.25 0.00 0.00 0.00 0.00 55.97 54.74 1s04 s LYS 35 Cb -0.26 0.03 0.00 0.00 0.00 0.00 0.00 37.83 37.61 1s04 s LYS 35 CO 0.23 -0.26 1.65 -1.25 0.00 0.00 0.00 175.35 175.73 1s04 s PRO 36 N -4.03 3.04 0.00 1.78 0.04 -1.26 -4.06 135.00 130.50 1s04 s PRO 36 Ca 0.29 -0.45 0.00 0.00 0.04 0.00 0.00 61.00 60.88 1s04 s PRO 36 Cb 0.07 -4.94 0.00 0.00 0.04 0.00 0.00 34.50 29.67 1s04 s PRO 36 CO 0.06 -2.68 0.00 0.41 0.04 0.00 0.00 177.00 174.83 1s04 n GLY 37 N 6.48 0.00 0.30 0.56 0.00 -1.25 -4.96 105.19 106.32 1s04 n GLY 37 Ca 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.16 -3.95 1.61 8.00 -1.26 -4.85 116.55 115.94 1s04 n ASP 38 Ca 0.00 -1.10 -0.11 0.00 0.71 0.00 0.00 54.79 54.29 1s04 n ASP 38 Cb 0.00 0.26 -0.12 0.00 -0.02 0.00 0.00 41.12 41.24 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 -2.74 0.16 -0.20 2.53 1.01 -1.26 -3.34 120.40 116.57 1s04 s VAL 39 Ca 0.02 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1s04 s VAL 39 Cb -0.00 -0.23 0.04 0.00 0.00 0.00 0.00 36.38 36.19 1s04 s VAL 39 CO 0.01 -0.24 -0.11 -0.63 0.00 0.00 0.00 175.10 174.12 1s04 s ILE 40 N -0.79 1.69 0.02 2.22 1.01 0.34 0.19 121.20 125.87 1s04 s ILE 40 Ca -0.08 -1.00 -0.22 0.00 0.00 0.00 0.00 60.65 59.35 1s04 s ILE 40 Cb -0.06 -1.73 -0.06 0.00 0.01 0.00 0.00 42.46 40.63 1s04 s ILE 40 CO -0.00 0.21 0.65 -0.94 0.00 0.00 0.00 174.94 174.85 1s04 s SER 41 N 1.38 7.07 -0.22 3.58 1.04 0.33 -1.16 113.70 125.72 1s04 s SER 41 Ca -0.01 1.27 -0.04 0.00 0.48 0.00 0.00 55.95 57.66 1s04 s SER 41 Cb -0.16 -2.40 -0.01 0.00 0.10 0.00 0.00 66.02 63.55 1s04 s SER 41 CO -0.09 0.10 -0.05 -0.36 0.98 0.00 0.00 173.24 173.82 1s04 s PHE 42 N -0.26 2.95 -0.74 5.02 0.08 0.19 0.19 117.98 125.40 1s04 s PHE 42 Ca 0.33 -0.96 -0.03 0.00 0.12 0.00 0.00 56.93 56.40 1s04 s PHE 42 Cb -0.19 -2.10 0.00 0.00 -0.57 0.00 0.00 43.02 40.16 1s04 s PHE 42 CO 0.19 -0.55 0.64 0.39 -0.10 0.00 0.00 175.22 175.79 1s04 n GLU 43 N 4.79 -4.28 0.00 0.44 -0.58 0.51 -1.51 120.64 120.02 1s04 n GLU 43 Ca -0.18 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 1s04 n GLU 43 Cb 0.51 -4.45 0.00 0.00 -0.57 0.00 0.00 31.44 26.93 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 -1.25 2.08 0.65 0.62 0.00 -1.25 -3.66 105.19 102.38 1s04 n GLY 44 Ca -0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.03 0.19 -0.02 0.00 -1.24 -4.84 105.19 99.25 1s04 n GLY 45 Ca 0.00 0.00 -0.21 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 0.00 0.67 -3.38 1.61 3.11 -1.34 -3.43 116.57 113.81 1s04 h LYS 46 Ca -0.21 -0.78 -0.47 0.00 -2.81 0.00 0.00 60.65 56.38 1s04 h LYS 46 Cb 0.82 0.23 -0.40 0.00 -1.00 0.00 0.00 32.23 31.89 1s04 h LYS 46 CO -0.11 1.34 -0.76 -1.17 -2.81 0.00 0.00 179.45 175.95 1s04 s LEU 47 N -8.01 0.70 -0.17 5.20 1.98 -0.93 -4.97 118.68 112.48 1s04 s LEU 47 Ca -0.09 -0.55 -0.06 0.00 -2.89 0.00 0.00 54.13 50.54 1s04 s LEU 47 Cb 0.06 -0.41 -0.04 0.00 0.66 0.00 0.00 46.19 46.47 1s04 s LEU 47 CO 0.93 -0.30 0.04 -0.54 -1.89 0.00 0.00 176.35 174.58 1s04 s LYS 48 N 2.00 3.82 0.15 1.98 -0.14 -1.26 0.52 119.74 126.82 1s04 s LYS 48 Ca 0.02 -0.38 0.06 0.00 -1.36 0.00 0.00 55.97 54.31 1s04 s LYS 48 Cb -0.15 -3.12 -0.04 0.00 -1.68 0.00 0.00 37.83 32.84 1s04 s LYS 48 CO -0.07 0.32 -0.13 0.14 -0.76 0.00 0.00 175.35 174.84 1s04 s VAL 49 N 0.23 1.40 -0.15 3.17 -7.23 -0.31 -1.77 120.40 115.75 1s04 s VAL 49 Ca 0.02 -1.93 -0.01 0.00 -1.81 0.00 0.00 61.98 58.25 1s04 s VAL 49 Cb -0.13 -1.75 0.04 0.00 0.56 0.00 0.00 36.38 35.11 1s04 s VAL 49 CO 0.01 -0.54 -0.04 -0.60 -0.31 0.00 0.00 175.10 173.62 1s04 s ARG 50 N -3.18 1.25 0.18 4.82 3.52 -0.42 0.13 118.95 125.25 1s04 s ARG 50 Ca 0.14 -0.38 -0.32 0.00 -0.13 0.00 0.00 55.73 55.04 1s04 s ARG 50 Cb -0.02 -1.81 -0.16 0.00 -1.56 0.00 0.00 34.95 31.40 1s04 s ARG 50 CO 0.03 -0.41 1.15 0.28 -0.81 0.00 0.00 175.30 175.54 1s04 n VAL 51 N 4.94 0.98 -0.12 7.11 0.31 -1.21 -2.82 118.33 127.52 1s04 n VAL 51 Ca -0.11 -0.25 -0.21 0.00 -0.01 0.00 0.00 64.34 63.77 1s04 n VAL 51 Cb 0.48 -0.86 -0.10 0.00 -0.91 0.00 0.00 33.84 32.45 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 1.68 0.56 -3.78 5.55 4.76 0.34 -3.78 118.16 123.49 1s04 n LYS 52 Ca 0.15 0.18 -0.03 0.00 -2.87 0.00 0.00 58.31 55.74 1s04 n LYS 52 Cb 0.25 -1.44 -0.00 0.00 -1.84 0.00 0.00 35.03 32.00 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 -2.46 -1.68 0.10 7.82 0.00 -1.16 -4.74 121.76 119.63 1s04 s ALA 53 Ca -0.33 0.05 0.08 0.00 0.00 0.00 0.00 51.96 51.76 1s04 s ALA 53 Cb 0.10 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 1s04 s ALA 53 CO 0.50 -1.05 -0.20 -1.50 0.00 0.00 0.00 175.76 173.51 1s04 s ILE 54 N -2.91 1.61 0.03 0.00 2.07 -1.26 -2.01 121.20 118.73 1s04 s ILE 54 Ca 0.15 -1.49 -0.15 0.00 -1.41 0.00 0.00 60.65 57.75 1s04 s ILE 54 Cb -0.01 -1.47 0.02 0.00 0.13 0.00 0.00 42.46 41.13 1s04 s ILE 54 CO 0.03 -0.08 0.33 -0.13 -1.91 0.00 0.00 174.94 173.17 1s04 s ARG 55 N -1.86 0.81 0.04 3.50 0.52 -1.18 -4.97 118.95 115.80 1s04 s ARG 55 Ca 0.05 -0.42 0.04 0.00 -0.52 0.00 0.00 55.73 54.89 1s04 s ARG 55 Cb -0.10 0.36 -0.02 0.00 0.52 0.00 0.00 34.95 35.71 1s04 s ARG 55 CO 0.04 -0.26 -0.13 0.08 0.02 0.00 0.00 175.30 175.05 1s04 s VAL 56 N -2.33 1.03 0.34 3.52 1.01 -1.26 -1.89 120.40 120.82 1s04 s VAL 56 Ca -0.06 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.00 1s04 s VAL 56 Cb -0.02 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1s04 s VAL 56 CO -0.02 -0.02 0.16 -1.22 0.00 0.00 0.00 175.10 174.00 1s04 n TYR 57 N 1.93 -0.09 -0.01 5.22 4.02 0.62 -4.92 117.16 123.93 1s04 n TYR 57 Ca -0.18 -2.30 -0.16 0.00 -0.01 0.00 0.00 57.90 55.25 1s04 n TYR 57 Cb 0.55 0.06 -0.11 0.00 -0.02 0.00 0.00 39.34 39.82 1s04 n TYR 57 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1s04 h ASN 58 N 1.50 0.34 -5.10 7.72 2.35 -1.93 -3.32 115.58 117.13 1s04 h ASN 58 Ca -0.26 -0.79 -0.00 0.00 -0.55 0.00 0.00 56.30 54.71 1s04 h ASN 58 Cb 1.04 -0.10 -0.08 0.00 0.05 0.00 0.00 38.32 39.23 1s04 h ASN 58 CO 0.40 1.08 0.06 -0.44 -1.65 0.00 0.00 177.43 176.88 1s04 s SER 59 N -6.50 -0.22 0.31 5.81 0.01 -1.26 -4.45 113.70 107.40 1s04 s SER 59 Ca -0.15 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.47 1s04 s SER 59 Cb 0.02 0.63 0.51 0.00 0.21 0.00 0.00 66.02 67.39 1s04 s SER 59 CO 0.77 -1.18 1.93 -0.26 0.41 0.00 0.00 173.24 174.91 1s04 h PHE 60 N 2.14 0.84 -0.75 2.43 0.04 -1.93 -1.78 116.94 117.94 1s04 h PHE 60 Ca -0.25 -0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.55 1s04 h PHE 60 Cb 1.26 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 39.09 1s04 h PHE 60 CO 0.39 0.61 0.49 -0.09 -0.60 0.00 0.00 178.31 179.11 1s04 h ARG 61 N 0.86 0.82 -0.07 1.51 1.12 -1.96 0.46 114.38 117.11 1s04 h ARG 61 Ca 0.21 -0.05 -0.14 0.00 -1.11 0.00 0.00 59.98 58.90 1s04 h ARG 61 Cb 0.07 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 29.83 1s04 h ARG 61 CO -0.03 0.54 -0.57 0.93 -3.11 0.00 0.00 179.97 177.73 1s04 h GLU 62 N 0.84 0.22 0.01 0.20 5.08 -1.74 -1.39 114.58 117.79 1s04 h GLU 62 Ca 0.31 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1s04 h GLU 62 Cb 0.17 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1s04 h GLU 62 CO -0.10 0.73 -0.00 0.52 -1.00 0.00 0.00 179.01 179.16 1s04 h MET 63 N 0.16 -0.01 -0.16 2.33 2.86 -0.64 0.12 114.93 119.61 1s04 h MET 63 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1s04 h MET 63 Cb 1.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 1s04 h MET 63 CO 0.09 0.73 0.08 -0.07 1.06 0.00 0.00 176.91 178.79 1s04 h LEU 64 N -0.76 0.18 0.02 1.22 3.38 -0.21 2.50 115.31 121.66 1s04 h LEU 64 Ca -0.00 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1s04 h LEU 64 Cb 0.74 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.45 1s04 h LEU 64 CO 0.00 0.16 -0.31 -0.33 0.09 0.00 0.00 178.44 178.05 1s04 h GLU 65 N 0.21 0.17 0.03 1.13 5.08 -1.26 1.74 114.58 121.69 1s04 h GLU 65 Ca 0.06 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1s04 h GLU 65 Cb 0.02 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1s04 h GLU 65 CO -0.01 1.00 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.76 1s04 h LYS 66 N -0.56 -0.04 -0.76 2.33 3.64 -0.23 -3.36 116.57 117.59 1s04 h LYS 66 Ca -0.05 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1s04 h LYS 66 Cb 1.12 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.90 1s04 h LYS 66 CO 0.06 -0.03 0.48 0.93 -2.27 0.00 0.00 179.45 178.62 1s04 h GLU 67 N -0.28 0.89 0.00 1.90 4.39 0.41 -3.48 114.58 118.41 1s04 h GLU 67 Ca -0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1s04 h GLU 67 Cb 0.03 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 1s04 h GLU 67 CO 0.01 0.59 0.00 0.41 -1.16 0.00 0.00 179.01 178.86 1s04 n GLY 68 N -1.31 3.24 0.48 -3.84 0.00 -0.25 -4.65 105.19 98.87 1s04 n GLY 68 Ca 0.09 -1.16 -0.17 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.48 -0.34 0.99 5.85 0.23 0.25 115.31 120.82 1s04 h LEU 69 Ca 0.00 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1s04 h LEU 69 Cb 0.00 0.52 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1s04 h LEU 69 CO 0.00 -0.59 0.00 -0.62 -0.34 0.00 0.00 178.44 176.89 1s04 n GLU 70 N -5.42 0.07 -0.18 1.25 1.02 -1.26 0.18 120.64 116.29 1s04 n GLU 70 Ca -0.10 0.38 0.11 0.00 -0.02 0.00 0.00 57.16 57.53 1s04 n GLU 70 Cb 0.42 -1.65 0.27 0.00 -0.02 0.00 0.00 31.44 30.47 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 -1.78 2.81 0.03 1.62 3.02 0.61 -4.21 115.26 117.37 1s04 n ASN 71 Ca 0.02 -1.91 0.00 0.00 -0.03 0.00 0.00 54.58 52.66 1s04 n ASN 71 Cb 0.14 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 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 1.06 0.06 -3.91 2.41 0.31 0.38 0.54 118.33 119.19 1s04 n VAL 72 Ca 0.18 0.02 -0.31 0.00 -0.01 0.00 0.00 64.34 64.22 1s04 n VAL 72 Cb 0.49 -0.70 -0.13 0.00 -0.91 0.00 0.00 33.84 32.60 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 -5.66 4.50 -0.04 7.52 2.96 0.48 -4.37 118.68 124.06 1s04 s LEU 73 Ca 0.00 -3.06 -0.30 0.00 -0.22 0.00 0.00 54.13 50.55 1s04 s LEU 73 Cb 0.00 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1s04 s LEU 73 CO 0.00 -0.24 1.22 -2.16 -1.32 0.00 0.00 176.35 173.85 1s04 s PRO 74 N -0.35 4.35 0.00 0.98 0.04 -1.26 -3.15 135.00 135.61 1s04 s PRO 74 Ca 0.18 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1s04 s PRO 74 Cb -0.24 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.76 1s04 s PRO 74 CO -0.02 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 176.99 1s04 n GLY 75 N 3.38 2.12 2.95 0.56 0.00 -1.26 -5.08 105.19 107.86 1s04 n GLY 75 Ca 0.11 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 0.05 1.61 3.14 -1.19 -4.88 118.33 117.06 1s04 n VAL 76 Ca 0.00 -0.46 -0.16 0.00 -2.96 0.00 0.00 64.34 60.76 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 -0.27 0.21 -2.33 1.45 1.57 -1.92 -3.49 116.57 111.80 1s04 h LYS 77 Ca -0.39 -0.37 0.14 0.00 -1.87 0.00 0.00 60.65 58.16 1s04 h LYS 77 Cb 1.31 0.14 -0.12 0.00 0.08 0.00 0.00 32.23 33.64 1s04 h LYS 77 CO 0.34 1.05 0.48 -1.12 -0.57 0.00 0.00 179.45 179.63 1s04 s SER 78 N -6.88 -0.28 0.36 0.86 0.01 -1.26 -4.98 113.70 101.54 1s04 s SER 78 Ca -0.09 -0.19 0.11 0.00 1.31 0.00 0.00 55.95 57.09 1s04 s SER 78 Cb 0.07 0.44 0.89 0.00 0.21 0.00 0.00 66.02 67.63 1s04 s SER 78 CO 0.84 -0.76 1.84 0.40 0.41 0.00 0.00 173.24 175.97 1s04 h ILE 79 N 2.00 0.75 -0.16 1.44 2.04 -1.99 0.43 117.51 122.02 1s04 h ILE 79 Ca -0.23 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 1s04 h ILE 79 Cb 1.24 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1s04 h ILE 79 CO 0.29 0.11 0.02 -0.33 0.00 0.00 0.00 178.15 178.24 1s04 h GLU 80 N 0.62 0.27 -0.53 2.37 4.39 -2.01 -2.72 114.58 116.96 1s04 h GLU 80 Ca 0.49 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 60.06 1s04 h GLU 80 Cb 0.91 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 1s04 h GLU 80 CO -0.23 0.45 0.13 0.93 -1.16 0.00 0.00 179.01 179.12 1s04 h GLU 81 N 0.05 0.82 -0.33 2.33 4.39 -1.33 -2.81 114.58 117.69 1s04 h GLU 81 Ca 0.05 -0.17 0.06 0.00 0.34 0.00 0.00 59.36 59.65 1s04 h GLU 81 Cb 0.32 -0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 28.78 1s04 h GLU 81 CO 0.00 0.74 -0.05 0.78 -1.16 0.00 0.00 179.01 179.32 1s04 h GLY 82 N 0.96 0.27 0.58 -3.84 0.00 -0.04 -0.29 103.07 100.72 1s04 h GLY 82 Ca 0.17 0.09 0.10 0.00 0.00 0.00 0.00 47.33 47.69 1s04 h GLY 82 CO -0.00 -0.11 0.63 -2.22 0.00 0.00 0.00 176.54 174.84 1s04 h ILE 83 N 0.03 0.99 -0.96 2.60 5.03 -1.23 0.20 117.51 124.17 1s04 h ILE 83 Ca 0.16 -0.37 0.07 0.00 -0.12 0.00 0.00 64.86 64.60 1s04 h ILE 83 Cb 0.24 -0.17 -0.07 0.00 -3.03 0.00 0.00 36.82 33.79 1s04 h ILE 83 CO -0.32 0.19 0.61 1.56 -0.68 0.00 0.00 178.15 179.52 1s04 h GLN 84 N 1.07 1.07 -0.90 2.37 7.50 -0.94 0.25 115.11 125.52 1s04 h GLN 84 Ca 0.47 -0.06 -0.00 0.00 0.50 0.00 0.00 58.65 59.55 1s04 h GLN 84 Cb 0.35 -0.24 -0.04 0.00 0.05 0.00 0.00 27.48 27.60 1s04 h GLN 84 CO -0.23 0.71 0.55 0.28 -1.50 0.00 0.00 178.83 178.64 1s04 h VAL 85 N 1.10 1.25 0.00 -0.54 2.07 -0.19 -0.55 116.25 119.40 1s04 h VAL 85 Ca 0.42 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1s04 h VAL 85 Cb 0.19 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1s04 h VAL 85 CO -0.18 0.26 -0.05 1.88 0.02 0.00 0.00 177.57 179.50 1s04 h TYR 86 N 1.24 0.00 -0.03 1.57 0.05 -0.61 -2.15 116.97 117.03 1s04 h TYR 86 Ca 0.32 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 59.02 1s04 h TYR 86 Cb -0.06 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.69 1s04 h TYR 86 CO 0.00 0.05 -0.32 -0.09 -1.05 0.00 0.00 178.16 176.75 1s04 h ARG 87 N 0.00 0.27 -0.14 4.88 9.65 0.88 1.04 114.38 130.96 1s04 h ARG 87 Ca -0.00 -0.25 -0.13 0.00 -1.10 0.00 0.00 59.98 58.50 1s04 h ARG 87 Cb 0.78 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.41 1s04 h ARG 87 CO 0.01 0.92 -0.46 0.07 2.80 0.00 0.00 179.97 183.31 1s04 h ARG 88 N -0.29 0.36 0.00 0.20 0.11 -1.18 -3.31 114.38 110.27 1s04 h ARG 88 Ca -0.03 -0.19 -0.03 0.00 0.10 0.00 0.00 59.98 59.83 1s04 h ARG 88 Cb 1.01 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 32.09 1s04 h ARG 88 CO 0.06 0.75 -0.22 0.74 0.10 0.00 0.00 179.97 181.40 1s04 h PHE 89 N 0.29 0.00 -3.18 4.08 -1.00 -1.42 -3.46 116.94 112.24 1s04 h PHE 89 Ca 0.02 0.00 -0.67 0.00 2.81 0.00 0.00 57.97 60.13 1s04 h PHE 89 Cb 0.92 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 40.37 1s04 h PHE 89 CO 0.02 0.56 -0.60 0.71 -1.61 0.00 0.00 178.31 177.39 1s04 s TYR 90 N -1.98 3.23 0.48 -0.55 2.02 0.36 -5.07 117.35 115.84 1s04 s TYR 90 Ca -0.12 0.20 -0.23 0.00 -0.37 0.00 0.00 57.07 56.54 1s04 s TYR 90 Cb -0.00 -1.75 -0.07 0.00 -0.40 0.00 0.00 41.96 39.74 1s04 s TYR 90 CO 0.36 0.52 1.31 -0.51 -1.57 0.00 0.00 175.55 175.66 1s04 s ASP 91 N -1.39 5.78 0.26 2.29 1.01 -1.26 -3.83 116.67 119.51 1s04 s ASP 91 Ca 0.19 2.66 0.01 0.00 0.71 0.00 0.00 52.55 56.11 1s04 s ASP 91 Cb -0.12 -2.63 0.33 0.00 1.01 0.00 0.00 42.92 41.51 1s04 s ASP 91 CO 0.09 -1.22 1.67 1.05 0.21 0.00 0.00 175.17 176.97 1s04 h GLU 92 N 1.97 0.52 0.08 8.23 -0.00 -1.89 0.08 114.58 123.57 1s04 h GLU 92 Ca -0.50 -0.22 -0.00 0.00 -0.00 0.00 0.00 59.36 58.63 1s04 h GLU 92 Cb 1.27 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 30.01 1s04 h GLU 92 CO 0.60 0.77 -0.04 1.49 -0.00 0.00 0.00 179.01 181.83 1s04 h GLU 93 N 0.45 -0.11 -0.73 1.06 4.22 -1.97 -1.06 114.58 116.43 1s04 h GLU 93 Ca 0.06 0.01 0.09 0.00 0.08 0.00 0.00 59.36 59.60 1s04 h GLU 93 Cb 0.76 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.97 1s04 h GLU 93 CO 0.06 0.43 0.38 1.57 -2.18 0.00 0.00 179.01 179.27 1s04 h LYS 94 N -0.87 0.62 0.21 1.92 2.10 -1.95 1.19 116.57 119.80 1s04 h LYS 94 Ca -0.01 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 1s04 h LYS 94 Cb 0.59 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1s04 h LYS 94 CO 0.02 0.41 -0.10 1.49 -2.00 0.00 0.00 179.45 179.27 1s04 h GLU 95 N 0.64 -0.28 0.00 0.07 4.22 -1.04 -1.88 114.58 116.31 1s04 h GLU 95 Ca 0.36 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.82 1s04 h GLU 95 Cb 0.37 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1s04 h GLU 95 CO -0.27 -0.06 0.00 0.87 -2.18 0.00 0.00 179.01 177.37 1s04 h LYS 96 N -0.45 0.00 0.51 1.92 1.57 -0.47 1.76 116.57 121.41 1s04 h LYS 96 Ca -0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1s04 h LYS 96 Cb 0.34 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.66 1s04 h LYS 96 CO 0.05 0.00 -0.25 -0.22 -0.57 0.00 0.00 179.45 178.46 1s04 h LYS 97 N 0.00 -0.67 0.00 3.15 3.64 0.22 -3.40 116.57 119.51 1s04 h LYS 97 Ca 0.00 0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.26 1s04 h LYS 97 Cb 0.25 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1s04 h LYS 97 CO 0.00 -0.38 -1.36 0.66 -2.27 0.00 0.00 179.45 176.10 1s04 n TYR 98 N -5.26 0.38 0.00 1.91 4.01 -0.78 -5.08 117.16 112.35 1s04 n TYR 98 Ca -0.10 0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 1s04 n TYR 98 Cb 0.31 -0.80 0.00 0.00 -0.31 0.00 0.00 39.34 38.54 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 1.43 0.17 3.26 2.72 0.00 0.60 -4.96 105.19 108.41 1s04 n GLY 99 Ca -0.27 -1.64 -0.19 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.29 1.44 -0.22 1.61 1.01 -1.25 -4.21 120.40 117.49 1s04 s VAL 100 Ca 0.00 -1.74 -0.04 0.00 0.00 0.00 0.00 61.98 60.20 1s04 s VAL 100 Cb 0.00 -1.59 0.07 0.00 0.00 0.00 0.00 36.38 34.87 1s04 s VAL 100 CO 0.00 -0.37 0.08 0.68 0.00 0.00 0.00 175.10 175.49 1s04 s VAL 101 N -2.06 0.22 -0.78 2.92 -7.23 -1.26 -0.27 120.40 111.95 1s04 s VAL 101 Ca 0.10 -0.56 -0.26 0.00 -1.81 0.00 0.00 61.98 59.44 1s04 s VAL 101 Cb -0.05 -0.94 0.04 0.00 0.56 0.00 0.00 36.38 35.99 1s04 s VAL 101 CO 0.04 -0.40 1.29 0.00 -0.31 0.00 0.00 175.10 175.71 1s04 s ALA 102 N 1.98 2.77 -0.07 1.32 0.00 -0.79 -3.52 121.76 123.45 1s04 s ALA 102 Ca 0.03 -1.52 -0.12 0.00 0.00 0.00 0.00 51.96 50.35 1s04 s ALA 102 Cb -0.16 -4.28 -0.05 0.00 0.00 0.00 0.00 23.12 18.63 1s04 s ALA 102 CO -0.17 -3.31 0.29 0.96 0.00 0.00 0.00 175.76 173.54 1s04 s ILE 103 N 5.54 5.25 -0.24 0.00 -4.36 -1.02 -3.13 121.20 123.23 1s04 s ILE 103 Ca 0.36 0.56 -0.15 0.00 -0.26 0.00 0.00 60.65 61.16 1s04 s ILE 103 Cb -0.07 -3.58 -0.04 0.00 1.25 0.00 0.00 42.46 40.01 1s04 s ILE 103 CO 0.11 0.57 0.37 -0.70 0.24 0.00 0.00 174.94 175.53 1s04 s GLU 104 N -0.85 4.09 0.51 0.37 2.12 -0.85 -2.96 118.70 121.12 1s04 s GLU 104 Ca 0.19 0.08 0.05 0.00 0.36 0.00 0.00 54.97 55.66 1s04 s GLU 104 Cb -0.14 -3.60 0.01 0.00 0.26 0.00 0.00 34.13 30.66 1s04 s GLU 104 CO 0.09 -0.15 0.30 0.96 -0.54 0.00 0.00 175.26 175.91 1s04 s ILE 105 N 1.68 1.77 -0.29 -3.70 -0.00 -1.26 0.13 121.20 119.52 1s04 s ILE 105 Ca 0.16 -1.59 0.03 0.00 -0.00 0.00 0.00 60.65 59.25 1s04 s ILE 105 Cb -0.15 -2.36 0.20 0.00 -0.00 0.00 0.00 42.46 40.14 1s04 s ILE 105 CO 0.09 0.00 0.62 -0.70 -0.00 0.00 0.00 174.94 174.94 1s04 s GLU 106 N -4.14 0.54 -0.61 0.37 2.56 -1.13 -4.78 118.70 111.51 1s04 s GLU 106 Ca 0.32 0.64 -0.27 0.00 0.00 0.00 0.00 54.97 55.66 1s04 s GLU 106 Cb -0.01 0.32 0.01 0.00 2.00 0.00 0.00 34.13 36.45 1s04 s GLU 106 CO 0.19 -0.90 1.53 -1.25 -0.56 0.00 0.00 175.26 174.27 1s04 s PRO 107 N 2.84 3.08 -0.92 4.30 0.04 -1.26 -1.30 135.00 141.79 1s04 s PRO 107 Ca 0.13 0.36 -0.01 0.00 0.04 0.00 0.00 61.00 61.52 1s04 s PRO 107 Cb -0.11 -4.22 0.34 0.00 0.04 0.00 0.00 34.50 30.55 1s04 s PRO 107 CO -0.24 -2.22 1.92 1.47 0.04 0.00 0.00 177.00 177.96 1s04 n LEU 108 N 10.48 7.38 -0.00 -3.56 -0.00 -0.73 -4.28 117.00 126.30 1s04 n LEU 108 Ca 0.13 -5.09 0.02 0.00 -0.00 0.00 0.00 56.01 51.06 1s04 n LEU 108 Cb 0.50 -1.10 -0.02 0.00 -0.00 0.00 0.00 43.42 42.80 1s04 n LEU 108 CO 0.71 1.90 -0.09 1.21 -0.00 0.00 0.00 177.39 181.11 1s04 n GLU 109 N -0.33 5.01 0.00 1.47 0.00 -1.25 -4.92 120.64 120.61 1s04 n GLU 109 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.66 1s04 n GLU 109 Cb 0.25 -0.72 0.00 0.00 0.00 0.00 0.00 31.44 30.97 1s04 n GLU 109 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79