#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka0 s ARG 2 N 0.00 2.97 -0.22 2.12 0.52 -1.26 -1.26 118.95 121.82 2ka0 s ARG 2 Ca 0.00 0.99 -0.08 0.00 -0.52 0.00 0.00 55.73 56.12 2ka0 s ARG 2 Cb 0.00 -1.99 0.10 0.00 0.52 0.00 0.00 34.95 33.57 2ka0 s ARG 2 CO 0.00 -1.07 0.47 0.08 0.02 0.00 0.00 175.30 174.80 2ka0 s VAL 3 N -2.98 -0.67 -0.15 3.52 1.01 -0.30 -4.27 120.40 116.57 2ka0 s VAL 3 Ca 0.59 0.13 -0.08 0.00 0.00 0.00 0.00 61.98 62.62 2ka0 s VAL 3 Cb -0.14 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 2ka0 s VAL 3 CO 0.53 0.05 0.13 -0.70 0.00 0.00 0.00 175.10 175.12 2ka0 s GLU 4 N 2.58 3.68 -0.34 2.72 2.12 -0.01 -0.70 118.70 128.75 2ka0 s GLU 4 Ca -0.03 -0.17 0.01 0.00 0.36 0.00 0.00 54.97 55.13 2ka0 s GLU 4 Cb -0.12 -3.26 0.09 0.00 0.26 0.00 0.00 34.13 31.11 2ka0 s GLU 4 CO -0.14 0.61 0.07 -0.51 -0.54 0.00 0.00 175.26 174.75 2ka0 s LEU 5 N -0.55 4.60 0.24 2.70 1.02 0.28 0.01 118.68 126.97 2ka0 s LEU 5 Ca 0.12 -1.86 -0.24 0.00 0.02 0.00 0.00 54.13 52.18 2ka0 s LEU 5 Cb -0.12 -1.70 -0.09 0.00 0.02 0.00 0.00 46.19 44.31 2ka0 s LEU 5 CO 0.02 -0.39 0.82 -0.76 0.02 0.00 0.00 176.35 176.06 2ka0 s LEU 6 N 1.07 4.42 0.00 1.79 1.43 -1.09 -0.86 118.68 125.44 2ka0 s LEU 6 Ca 0.05 1.63 0.02 0.00 -1.03 0.00 0.00 54.13 54.80 2ka0 s LEU 6 Cb -0.20 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.36 2ka0 s LEU 6 CO -0.05 0.05 0.07 0.49 0.23 0.00 0.00 176.35 177.14 2ka0 n PHE 7 N 0.93 0.58 0.08 0.29 3.72 -0.03 -0.64 117.46 122.38 2ka0 n PHE 7 Ca -0.02 -2.34 -0.13 0.00 -0.05 0.00 0.00 57.45 54.91 2ka0 n PHE 7 Cb 0.50 -0.15 -0.08 0.00 -0.94 0.00 0.00 39.48 38.81 2ka0 n PHE 7 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2ka0 h GLU 8 N 0.00 -0.21 -0.11 -1.08 4.39 -1.18 -3.35 114.58 113.04 2ka0 h GLU 8 Ca -0.34 0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.25 2ka0 h GLU 8 Cb 1.14 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 2ka0 h GLU 8 CO 0.54 0.14 -0.52 0.77 -1.16 0.00 0.00 179.01 178.79 2ka0 h SER 9 N -0.59 0.34 0.00 1.42 0.02 -1.91 -3.49 113.55 109.34 2ka0 h SER 9 Ca -0.02 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2ka0 h SER 9 Cb 0.44 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2ka0 h SER 9 CO 0.04 0.79 0.00 0.61 -1.14 0.00 0.00 176.83 177.13 2ka0 n GLY 10 N 0.09 1.40 3.62 -3.77 0.00 -1.26 -5.03 105.19 100.24 2ka0 n GLY 10 Ca -0.02 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 2ka0 n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ka0 s LYS 11 N 1.96 1.42 0.30 1.61 -2.85 -1.26 -0.85 119.74 120.07 2ka0 s LYS 11 Ca 0.00 -0.66 -0.03 0.00 -1.00 0.00 0.00 55.97 54.27 2ka0 s LYS 11 Cb 0.00 0.56 -0.01 0.00 -2.06 0.00 0.00 37.83 36.32 2ka0 s LYS 11 CO 0.00 -0.64 0.40 0.00 0.10 0.00 0.00 175.35 175.22 2ka0 s VAL 13 N -3.46 0.02 0.06 0.00 1.01 -1.18 -0.56 120.40 116.28 2ka0 s VAL 13 Ca 0.31 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 62.17 2ka0 s VAL 13 Cb 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.26 2ka0 s VAL 13 CO 0.17 -0.09 -0.15 0.27 0.00 0.00 0.00 175.10 175.30 2ka0 s ILE 14 N -0.27 1.16 -0.07 2.22 -4.36 0.12 -2.08 121.20 117.92 2ka0 s ILE 14 Ca -0.03 -1.16 0.00 0.00 -0.26 0.00 0.00 60.65 59.20 2ka0 s ILE 14 Cb -0.02 -1.07 0.02 0.00 1.25 0.00 0.00 42.46 42.64 2ka0 s ILE 14 CO -0.00 -0.09 -0.05 -0.62 0.24 0.00 0.00 174.94 174.42 2ka0 s ASP 15 N -1.43 1.43 -0.08 4.36 -1.08 -0.34 -1.15 116.67 118.37 2ka0 s ASP 15 Ca 0.00 -0.17 0.04 0.00 -0.52 0.00 0.00 52.55 51.90 2ka0 s ASP 15 Cb -0.09 -0.57 0.00 0.00 -1.46 0.00 0.00 42.92 40.80 2ka0 s ASP 15 CO 0.02 -0.08 -0.21 -0.76 0.52 0.00 0.00 175.17 174.65 2ka0 s LEU 16 N 1.25 1.98 -0.05 -1.34 2.01 -0.39 -1.39 118.68 120.75 2ka0 s LEU 16 Ca -0.05 -0.48 -0.30 0.00 0.01 0.00 0.00 54.13 53.30 2ka0 s LEU 16 Cb -0.14 -1.25 -0.05 0.00 0.01 0.00 0.00 46.19 44.76 2ka0 s LEU 16 CO -0.02 0.14 1.48 0.21 1.01 0.00 0.00 176.35 179.18 2ka0 s ASN 17 N 0.32 6.79 0.00 2.29 2.47 -0.90 -0.43 114.94 125.47 2ka0 s ASN 17 Ca -0.15 2.09 0.01 0.00 0.42 0.00 0.00 52.86 55.23 2ka0 s ASN 17 Cb -0.16 -2.55 0.09 0.00 -1.45 0.00 0.00 41.25 37.18 2ka0 s ASN 17 CO 0.07 -0.82 0.76 -0.62 -3.72 0.00 0.00 177.10 172.77 2ka0 n GLU 18 N 6.32 0.69 0.00 0.43 1.02 -1.26 -3.59 120.64 124.25 2ka0 n GLU 18 Ca 0.15 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.43 2ka0 n GLU 18 Cb 0.43 -1.03 0.70 0.00 -0.02 0.00 0.00 31.44 31.52 2ka0 n GLU 18 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2ka0 n GLU 19 N -0.53 0.33 -4.82 3.49 1.02 -1.26 -4.78 120.64 114.09 2ka0 n GLU 19 Ca 0.01 0.02 -0.33 0.00 -0.02 0.00 0.00 57.16 56.84 2ka0 n GLU 19 Cb 0.00 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.78 2ka0 n GLU 19 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2ka0 s TYR 20 N -2.65 2.77 0.23 -0.32 2.02 -1.24 -5.02 117.35 113.14 2ka0 s TYR 20 Ca 0.25 -0.51 -0.06 0.00 -0.37 0.00 0.00 57.07 56.38 2ka0 s TYR 20 Cb 0.19 -1.78 0.37 0.00 -0.40 0.00 0.00 41.96 40.34 2ka0 s TYR 20 CO 0.45 -0.10 1.77 1.49 -1.57 0.00 0.00 175.55 177.59 2ka0 h GLU 21 N 6.30 0.55 -0.79 -0.62 4.57 -1.93 -0.90 114.58 121.75 2ka0 h GLU 21 Ca -0.32 -0.03 0.11 0.00 -1.18 0.00 0.00 59.36 57.94 2ka0 h GLU 21 Cb 1.20 -0.12 -0.08 0.00 -0.16 0.00 0.00 28.75 29.58 2ka0 h GLU 21 CO 0.54 0.36 0.41 -0.24 -1.18 0.00 0.00 179.01 178.90 2ka0 h VAL 22 N 0.56 0.83 -0.34 0.32 3.04 -1.95 0.58 116.25 119.29 2ka0 h VAL 22 Ca 0.37 -0.23 -0.05 0.00 -1.01 0.00 0.00 66.70 65.78 2ka0 h VAL 22 Cb 0.43 0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 29.81 2ka0 h VAL 22 CO -0.30 0.12 0.04 0.58 -1.01 0.00 0.00 177.57 177.00 2ka0 h VAL 23 N 0.67 1.24 -0.91 1.51 2.07 -1.49 0.10 116.25 119.45 2ka0 h VAL 23 Ca 0.40 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 2ka0 h VAL 23 Cb 0.45 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 2ka0 h VAL 23 CO -0.29 0.29 0.52 0.11 0.02 0.00 0.00 177.57 178.22 2ka0 h LYS 24 N 0.40 1.25 0.00 1.57 1.57 -1.19 -2.86 116.57 117.32 2ka0 h LYS 24 Ca 0.10 -0.13 -0.19 0.00 -1.87 0.00 0.00 60.65 58.56 2ka0 h LYS 24 Cb 0.39 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2ka0 h LYS 24 CO 0.01 0.90 -0.89 -0.07 -0.57 0.00 0.00 179.45 178.82 2ka0 h LEU 25 N 1.26 0.00 -2.42 2.94 3.38 -0.62 -2.47 115.31 117.38 2ka0 h LEU 25 Ca 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 2ka0 h LEU 25 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2ka0 h LEU 25 CO -0.06 0.89 -0.02 -0.07 0.09 0.00 0.00 178.44 179.28 2ka0 h LEU 26 N 0.00 0.00 -2.34 1.67 3.38 -0.65 -2.85 115.31 114.52 2ka0 h LEU 26 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2ka0 h LEU 26 Cb 1.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 2ka0 h LEU 26 CO 0.12 0.02 -0.00 0.50 0.09 0.00 0.00 178.44 179.17 2ka0 h LYS 27 N 0.00 0.00 0.00 1.13 3.64 -1.22 -0.12 116.57 120.00 2ka0 h LYS 27 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2ka0 h LYS 27 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2ka0 h LYS 27 CO 0.00 0.00 -0.14 0.39 -2.27 0.00 0.00 179.45 177.43 2ka0 n GLU 28 N -3.10 0.28 -0.73 1.90 -0.58 -1.07 -4.24 120.64 113.09 2ka0 n GLU 28 Ca -0.01 0.19 0.06 0.00 -0.42 0.00 0.00 57.16 56.98 2ka0 n GLU 28 Cb 0.17 -1.79 0.16 0.00 -0.57 0.00 0.00 31.44 29.41 2ka0 n GLU 28 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2ka0 n LYS 29 N -2.26 1.22 -4.42 3.49 4.76 -0.06 -5.00 118.16 115.89 2ka0 n LYS 29 Ca 0.05 -2.94 -0.19 0.00 -2.87 0.00 0.00 58.31 52.35 2ka0 n LYS 29 Cb 0.44 -1.27 -0.14 0.00 -1.84 0.00 0.00 35.03 32.21 2ka0 n LYS 29 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2ka0 s ILE 30 N -2.51 0.86 0.80 -0.18 1.01 -1.19 -4.11 121.20 115.89 2ka0 s ILE 30 Ca 0.36 -0.56 -0.12 0.00 0.00 0.00 0.00 60.65 60.34 2ka0 s ILE 30 Cb 0.36 -0.74 0.08 0.00 0.01 0.00 0.00 42.46 42.17 2ka0 s ILE 30 CO -0.08 0.18 1.14 -2.16 0.00 0.00 0.00 174.94 174.01 2ka0 s PRO 31 N -0.43 1.84 0.19 2.79 0.04 -1.26 -4.94 135.00 133.22 2ka0 s PRO 31 Ca 0.03 1.44 -0.12 0.00 0.04 0.00 0.00 61.00 62.40 2ka0 s PRO 31 Cb -0.05 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2ka0 s PRO 31 CO -0.00 -2.00 0.38 -0.59 0.04 0.00 0.00 177.00 174.83 2ka0 s PHE 32 N -2.58 0.27 0.36 0.56 -0.71 -0.72 -4.99 117.98 110.18 2ka0 s PHE 32 Ca 0.66 -0.62 0.08 0.00 -1.04 0.00 0.00 56.93 56.01 2ka0 s PHE 32 Cb -0.22 0.10 -0.07 0.00 -1.21 0.00 0.00 43.02 41.62 2ka0 s PHE 32 CO 0.53 -0.82 -0.05 -1.21 -1.34 0.00 0.00 175.22 172.33 2ka0 s GLU 33 N -3.95 1.85 0.06 1.99 2.02 -1.26 0.02 118.70 119.43 2ka0 s GLU 33 Ca 0.16 -1.99 -0.27 0.00 0.02 0.00 0.00 54.97 52.89 2ka0 s GLU 33 Cb 0.02 -1.63 0.09 0.00 0.10 0.00 0.00 34.13 32.70 2ka0 s GLU 33 CO 0.01 0.06 0.88 0.45 0.02 0.00 0.00 175.26 176.68 2ka0 s SER 34 N -3.63 -0.32 0.13 -0.19 0.15 -0.59 -4.97 113.70 104.28 2ka0 s SER 34 Ca 0.33 -0.13 -0.31 0.00 0.70 0.00 0.00 55.95 56.54 2ka0 s SER 34 Cb 0.05 0.44 -0.08 0.00 -1.71 0.00 0.00 66.02 64.73 2ka0 s SER 34 CO 0.17 -0.75 1.30 -0.69 1.20 0.00 0.00 173.24 174.47 2ka0 s VAL 35 N -3.24 3.49 -0.69 4.45 1.01 -1.26 -1.60 120.40 122.57 2ka0 s VAL 35 Ca 0.07 1.13 -0.24 0.00 0.00 0.00 0.00 61.98 62.94 2ka0 s VAL 35 Cb -0.01 -3.72 0.06 0.00 0.00 0.00 0.00 36.38 32.70 2ka0 s VAL 35 CO -0.06 0.12 1.06 -0.69 0.00 0.00 0.00 175.10 175.54 2ka0 s VAL 36 N 0.67 4.14 0.42 2.92 1.01 -1.26 -4.44 120.40 123.86 2ka0 s VAL 36 Ca 0.59 -0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.34 2ka0 s VAL 36 Cb -0.34 -4.76 -0.06 0.00 0.00 0.00 0.00 36.38 31.21 2ka0 s VAL 36 CO 0.33 -1.58 0.79 0.20 0.00 0.00 0.00 175.10 174.84 2ka0 s ASN 37 N 3.70 6.52 0.09 3.32 0.01 0.02 -2.12 114.94 126.48 2ka0 s ASN 37 Ca 0.26 1.17 0.06 0.00 -0.71 0.00 0.00 52.86 53.64 2ka0 s ASN 37 Cb -0.14 -2.34 -0.03 0.00 0.41 0.00 0.00 41.25 39.15 2ka0 s ASN 37 CO 0.12 -0.42 -0.15 0.42 -1.51 0.00 0.00 177.10 175.55 2ka0 s THR 38 N -2.41 1.24 -0.31 1.60 -4.23 -1.26 -1.28 115.64 109.00 2ka0 s THR 38 Ca 0.52 -1.42 0.01 0.00 -1.18 0.00 0.00 61.69 59.62 2ka0 s THR 38 Cb -0.10 -1.23 0.15 0.00 1.34 0.00 0.00 72.50 72.65 2ka0 s THR 38 CO 0.32 -0.24 0.36 0.86 -0.54 0.00 0.00 174.62 175.37 2ka0 s TRP 39 N -1.43 -0.65 0.00 3.99 -0.00 -0.39 -4.97 118.94 115.49 2ka0 s TRP 39 Ca 0.01 -0.10 0.00 0.00 -0.00 0.00 0.00 56.10 56.01 2ka0 s TRP 39 Cb -0.09 -0.33 0.00 0.00 -0.00 0.00 0.00 33.47 33.05 2ka0 s TRP 39 CO 0.03 -0.96 0.00 0.41 -0.00 0.00 0.00 176.95 176.43 2ka0 n GLY 40 N 5.13 1.20 1.43 5.86 0.00 -1.26 -2.29 105.19 115.27 2ka0 n GLY 40 Ca 0.01 0.38 0.03 0.00 0.00 0.00 0.00 46.02 46.44 2ka0 n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ka0 n GLU 41 N 0.00 0.00 -4.24 1.61 1.02 -1.26 -5.01 120.64 112.76 2ka0 n GLU 41 Ca 0.00 -1.90 -0.14 0.00 -0.02 0.00 0.00 57.16 55.10 2ka0 n GLU 41 Cb 0.00 0.01 -0.10 0.00 -0.02 0.00 0.00 31.44 31.33 2ka0 n GLU 41 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2ka0 s GLU 42 N 0.00 1.07 0.02 3.49 -1.05 -0.97 -2.64 118.70 118.62 2ka0 s GLU 42 Ca 0.31 -1.48 0.06 0.00 -0.15 0.00 0.00 54.97 53.70 2ka0 s GLU 42 Cb 0.35 -0.46 -0.02 0.00 -0.44 0.00 0.00 34.13 33.57 2ka0 s GLU 42 CO -0.15 -0.02 -0.17 0.42 0.95 0.00 0.00 175.26 176.29 2ka0 s ILE 43 N -3.48 1.36 0.19 1.83 1.01 -0.87 -1.27 121.20 119.98 2ka0 s ILE 43 Ca 0.19 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.80 2ka0 s ILE 43 Cb 0.04 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 2ka0 s ILE 43 CO 0.01 0.21 0.34 -0.72 0.00 0.00 0.00 174.94 174.79 2ka0 s TYR 44 N -0.65 0.41 0.06 3.97 1.13 -0.41 -1.20 117.35 120.67 2ka0 s TYR 44 Ca 0.05 -0.76 -0.19 0.00 -1.41 0.00 0.00 57.07 54.76 2ka0 s TYR 44 Cb -0.08 0.00 0.04 0.00 -1.10 0.00 0.00 41.96 40.83 2ka0 s TYR 44 CO 0.01 -0.80 0.45 -0.59 -2.51 0.00 0.00 175.55 172.10 2ka0 s PHE 45 N -3.99 -0.31 -1.09 -3.49 -0.71 -1.26 -0.80 117.98 106.33 2ka0 s PHE 45 Ca 0.20 0.25 -0.20 0.00 -1.04 0.00 0.00 56.93 56.14 2ka0 s PHE 45 Cb 0.02 0.27 0.08 0.00 -1.21 0.00 0.00 43.02 42.19 2ka0 s PHE 45 CO 0.03 -0.62 1.45 -1.12 -1.34 0.00 0.00 175.22 173.62 2ka0 s SER 46 N -2.13 6.67 0.66 1.98 0.01 -1.26 -2.00 113.70 117.63 2ka0 s SER 46 Ca -0.04 -1.98 -0.17 0.00 1.31 0.00 0.00 55.95 55.07 2ka0 s SER 46 Cb -0.00 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 2ka0 s SER 46 CO -0.04 -1.25 1.15 0.35 0.41 0.00 0.00 173.24 173.86 2ka0 n THR 47 N 6.24 4.14 0.74 1.44 -2.24 -0.72 -4.93 114.28 118.94 2ka0 n THR 47 Ca 0.35 -0.46 0.13 0.00 -2.27 0.00 0.00 64.05 61.81 2ka0 n THR 47 Cb 0.49 -1.32 0.47 0.00 -2.10 0.00 0.00 70.33 67.86 2ka0 n THR 47 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2ka0 n PRO 48 N -1.78 0.18 -1.84 -0.78 -0.04 -1.26 -4.84 135.00 124.64 2ka0 n PRO 48 Ca 0.15 0.15 -0.31 0.00 -0.04 0.00 0.00 63.50 63.45 2ka0 n PRO 48 Cb 0.48 -1.71 0.02 0.00 -0.04 0.00 0.00 33.50 32.25 2ka0 n PRO 48 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ka0 s VAL 49 N -3.07 4.38 -0.25 0.52 1.01 -1.26 -5.07 120.40 116.65 2ka0 s VAL 49 Ca 0.12 0.84 -0.03 0.00 0.00 0.00 0.00 61.98 62.91 2ka0 s VAL 49 Cb 0.14 -3.65 0.11 0.00 0.00 0.00 0.00 36.38 32.98 2ka0 s VAL 49 CO 0.57 -0.95 0.22 0.54 0.00 0.00 0.00 175.10 175.48 2ka0 s ASN 50 N -3.81 2.08 0.02 3.32 2.20 -1.26 -4.88 114.94 112.60 2ka0 s ASN 50 Ca 0.57 -0.71 0.00 0.00 -0.94 0.00 0.00 52.86 51.79 2ka0 s ASN 50 Cb -0.12 0.21 -0.01 0.00 -2.00 0.00 0.00 41.25 39.32 2ka0 s ASN 50 CO 0.50 -0.38 -0.03 -0.69 -2.94 0.00 0.00 177.10 173.57 2ka0 s VAL 51 N 2.27 0.13 0.00 3.54 1.01 -1.26 -5.08 120.40 121.01 2ka0 s VAL 51 Ca 0.08 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2ka0 s VAL 51 Cb -0.15 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.00 2ka0 s VAL 51 CO -0.26 -0.34 0.09 0.00 0.00 0.00 0.00 175.10 174.59 2ka0 n GLN 52 N 2.01 3.60 -2.02 2.72 6.02 -1.26 -4.68 117.38 123.78 2ka0 n GLN 52 Ca -0.20 -0.09 -0.38 0.00 -0.01 0.00 0.00 57.00 56.32 2ka0 n GLN 52 Cb 0.56 -0.49 0.02 0.00 1.02 0.00 0.00 30.24 31.35 2ka0 n GLN 52 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2ka0 s LYS 53 N -0.54 3.41 -0.25 -1.09 2.20 -1.26 -4.95 119.74 117.26 2ka0 s LYS 53 Ca 0.00 1.99 -0.03 0.00 -0.36 0.00 0.00 55.97 57.57 2ka0 s LYS 53 Cb 0.00 -2.30 0.11 0.00 -1.51 0.00 0.00 37.83 34.13 2ka0 s LYS 53 CO 0.00 -0.90 0.23 0.00 -0.36 0.00 0.00 175.35 174.32 2ka0 s MET 54 N -2.85 0.24 0.20 4.03 0.23 -1.26 -4.96 119.30 114.93 2ka0 s MET 54 Ca 0.68 -0.07 0.08 0.00 -1.03 0.00 0.00 55.69 55.35 2ka0 s MET 54 Cb -0.34 -1.01 0.10 0.00 -1.53 0.00 0.00 34.83 32.05 2ka0 s MET 54 CO 0.41 -0.87 1.46 0.93 -2.03 0.00 0.00 175.02 174.92 2ka0 h GLU 55 N 8.31 0.02 -2.22 3.16 4.39 -1.98 -3.38 114.58 122.90 2ka0 h GLU 55 Ca -0.16 -0.03 -0.58 0.00 0.34 0.00 0.00 59.36 58.93 2ka0 h GLU 55 Cb 1.10 0.01 -0.40 0.00 -0.10 0.00 0.00 28.75 29.36 2ka0 h GLU 55 CO 0.33 0.80 -0.91 -1.71 -1.16 0.00 0.00 179.01 176.37 2ka0 n ASN 56 N -3.62 1.18 -4.77 1.42 5.15 -1.26 -5.11 115.26 108.25 2ka0 n ASN 56 Ca -0.01 -2.86 -0.35 0.00 -0.60 0.00 0.00 54.58 50.76 2ka0 n ASN 56 Cb 0.76 -0.64 0.01 0.00 -0.53 0.00 0.00 39.78 39.38 2ka0 n ASN 56 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2ka0 s PRO 57 N -1.28 3.26 0.25 1.20 0.04 -1.26 -1.28 135.00 135.93 2ka0 s PRO 57 Ca 0.35 1.60 0.02 0.00 0.04 0.00 0.00 61.00 63.00 2ka0 s PRO 57 Cb 0.12 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 2ka0 s PRO 57 CO -0.11 -0.92 0.19 1.03 0.04 0.00 0.00 177.00 177.23 2ka0 s ARG 58 N -3.39 1.41 -0.01 4.56 1.81 0.18 -4.85 118.95 118.66 2ka0 s ARG 58 Ca 0.72 -1.77 0.01 0.00 -1.72 0.00 0.00 55.73 52.97 2ka0 s ARG 58 Cb -0.24 0.29 0.01 0.00 -0.45 0.00 0.00 34.95 34.57 2ka0 s ARG 58 CO 0.29 -0.49 0.88 0.39 -0.68 0.00 0.00 175.30 175.70 2ka0 n GLU 59 N -0.40 2.12 -3.54 3.54 1.02 -1.26 -2.64 120.64 119.49 2ka0 n GLU 59 Ca 0.04 -1.30 -0.11 0.00 -0.02 0.00 0.00 57.16 55.77 2ka0 n GLU 59 Cb 0.65 -0.89 -0.04 0.00 -0.02 0.00 0.00 31.44 31.13 2ka0 n GLU 59 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2ka0 s VAL 60 N -0.83 0.00 0.15 2.62 0.11 -1.26 -4.14 120.40 117.05 2ka0 s VAL 60 Ca 0.02 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.10 2ka0 s VAL 60 Cb 0.01 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.85 2ka0 s VAL 60 CO 0.00 0.00 0.13 1.33 -3.33 0.00 0.00 175.10 173.23 2ka0 n VAL 61 N 0.35 0.00 -2.53 2.04 0.24 -1.13 -5.00 118.33 112.30 2ka0 n VAL 61 Ca -0.11 -1.12 -0.24 0.00 -2.04 0.00 0.00 64.34 60.84 2ka0 n VAL 61 Cb 0.59 0.56 0.10 0.00 -1.47 0.00 0.00 33.84 33.62 2ka0 n VAL 61 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2ka0 s GLU 62 N -2.62 1.80 0.00 7.34 2.02 -1.26 -4.63 118.70 121.35 2ka0 s GLU 62 Ca 0.18 -0.95 0.12 0.00 0.02 0.00 0.00 54.97 54.34 2ka0 s GLU 62 Cb 0.01 -2.32 0.71 0.00 0.10 0.00 0.00 34.13 32.63 2ka0 s GLU 62 CO 0.13 -1.36 1.29 -0.89 0.02 0.00 0.00 175.26 174.45 2ka0 n ILE 63 N -2.81 0.00 -2.39 -1.63 5.41 -1.26 -3.65 119.36 113.03 2ka0 n ILE 63 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.89 2ka0 n ILE 63 Cb 0.60 -0.35 -0.00 0.00 -0.71 0.00 0.00 39.64 39.18 2ka0 n ILE 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ka0 n GLY 64 N 0.41 0.94 3.70 7.39 0.00 -1.25 -4.11 105.19 112.27 2ka0 n GLY 64 Ca 0.09 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 2ka0 n GLY 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ka0 s ASP 65 N -1.81 4.25 0.00 1.61 1.01 -1.24 -1.20 116.67 119.30 2ka0 s ASP 65 Ca 0.23 -1.17 0.01 0.00 0.71 0.00 0.00 52.55 52.34 2ka0 s ASP 65 Cb 0.28 -0.46 -0.00 0.00 1.01 0.00 0.00 42.92 43.75 2ka0 s ASP 65 CO -0.11 -0.51 -0.04 -0.69 0.21 0.00 0.00 175.17 174.02 2ka0 s VAL 66 N -2.63 0.32 0.42 -1.27 1.01 -0.15 -4.02 120.40 114.08 2ka0 s VAL 66 Ca 0.39 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.15 2ka0 s VAL 66 Cb 0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 2ka0 s VAL 66 CO 0.21 0.04 0.09 -0.83 0.00 0.00 0.00 175.10 174.61 2ka0 s GLY 67 N -0.24 2.64 -0.01 4.51 0.00 -1.25 -1.56 107.32 111.41 2ka0 s GLY 67 Ca 0.00 -1.17 0.03 0.00 0.00 0.00 0.00 44.72 43.58 2ka0 s GLY 67 CO -0.00 -1.93 -0.08 -0.47 0.00 0.00 0.00 173.10 170.62 2ka0 s TYR 68 N -3.12 2.86 -0.86 1.90 5.04 -1.25 -3.01 117.35 118.91 2ka0 s TYR 68 Ca 0.21 -0.05 -0.08 0.00 -2.44 0.00 0.00 57.07 54.71 2ka0 s TYR 68 Cb 0.03 -1.62 0.22 0.00 0.35 0.00 0.00 41.96 40.94 2ka0 s TYR 68 CO 0.12 0.34 0.78 -0.46 -1.34 0.00 0.00 175.55 174.99 2ka0 s TRP 69 N -0.93 3.82 0.20 4.97 -0.00 0.23 -4.03 118.94 123.21 2ka0 s TRP 69 Ca 0.15 -2.51 -0.11 0.00 -0.00 0.00 0.00 56.10 53.64 2ka0 s TRP 69 Cb -0.11 -3.58 0.17 0.00 -0.00 0.00 0.00 33.47 29.95 2ka0 s TRP 69 CO 0.05 -0.90 1.85 -1.00 -0.00 0.00 0.00 176.95 176.96 2ka0 h PRO 70 N 7.02 0.84 0.00 5.86 0.13 -1.83 -1.48 132.00 142.53 2ka0 h PRO 70 Ca 0.11 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 2ka0 h PRO 70 Cb 0.94 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 2ka0 h PRO 70 CO 0.82 0.55 -0.10 -1.00 -0.23 0.00 0.00 178.00 178.04 2ka0 h PRO 71 N 0.86 0.00 -0.14 1.56 0.13 -1.93 -1.93 132.00 130.55 2ka0 h PRO 71 Ca 0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.40 2ka0 h PRO 71 Cb -0.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.11 2ka0 h PRO 71 CO -0.09 0.10 0.00 0.41 -0.23 0.00 0.00 178.00 178.19 2ka0 n GLY 72 N -0.29 3.71 3.84 1.56 0.00 -1.21 -5.01 105.19 107.79 2ka0 n GLY 72 Ca -0.01 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 2ka0 n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ka0 n LYS 73 N -0.53 -3.27 -4.12 1.61 4.01 -0.73 -4.89 118.16 110.24 2ka0 n LYS 73 Ca 0.12 0.40 -0.22 0.00 -0.51 0.00 0.00 58.31 58.10 2ka0 n LYS 73 Cb 0.55 -5.12 -0.05 0.00 -0.51 0.00 0.00 35.03 29.90 2ka0 n LYS 73 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2ka0 s ALA 74 N -3.10 3.52 1.00 7.82 0.00 -0.59 -1.75 121.76 128.66 2ka0 s ALA 74 Ca 0.59 -1.53 -0.15 0.00 0.00 0.00 0.00 51.96 50.87 2ka0 s ALA 74 Cb -0.32 -1.13 0.21 0.00 0.00 0.00 0.00 23.12 21.88 2ka0 s ALA 74 CO 0.73 0.21 1.24 -0.11 0.00 0.00 0.00 175.76 177.83 2ka0 n LEU 75 N -1.14 0.00 -4.15 0.00 7.94 -0.85 -0.60 117.00 118.21 2ka0 n LEU 75 Ca -0.06 -1.37 -0.10 0.00 -1.11 0.00 0.00 56.01 53.37 2ka0 n LEU 75 Cb 0.59 -0.95 -0.10 0.00 0.53 0.00 0.00 43.42 43.49 2ka0 n LEU 75 CO 0.42 -1.38 -0.32 0.00 -1.11 0.00 0.00 177.39 175.00 2ka0 s LEU 77 N -3.04 -0.66 -0.28 0.00 1.43 -0.34 -4.37 118.68 111.42 2ka0 s LEU 77 Ca 0.20 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 2ka0 s LEU 77 Cb 0.07 0.99 -0.05 0.00 0.03 0.00 0.00 46.19 47.23 2ka0 s LEU 77 CO -0.01 -0.35 0.19 -0.36 0.23 0.00 0.00 176.35 176.05 2ka0 s PHE 78 N 2.51 3.22 0.00 0.29 0.08 -1.26 -2.04 117.98 120.78 2ka0 s PHE 78 Ca 0.10 0.11 0.00 0.00 0.12 0.00 0.00 56.93 57.26 2ka0 s PHE 78 Cb -0.13 -2.38 0.00 0.00 -0.57 0.00 0.00 43.02 39.94 2ka0 s PHE 78 CO -0.29 -0.17 0.11 1.97 -0.10 0.00 0.00 175.22 176.75 2ka0 n PHE 79 N 5.06 0.00 -3.70 0.36 1.16 -1.22 -3.82 117.46 115.30 2ka0 n PHE 79 Ca -0.14 -0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.36 2ka0 n PHE 79 Cb 0.52 -0.00 0.03 0.00 -1.61 0.00 0.00 39.48 38.41 2ka0 n PHE 79 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2ka0 n GLY 80 N -0.00 1.09 3.56 4.97 0.00 -1.08 -5.01 105.19 108.71 2ka0 n GLY 80 Ca 0.00 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 2ka0 n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ka0 s LYS 81 N -2.08 3.46 1.08 1.61 2.20 -1.26 -4.75 119.74 120.00 2ka0 s LYS 81 Ca 0.14 0.06 -0.12 0.00 -0.36 0.00 0.00 55.97 55.69 2ka0 s LYS 81 Cb -0.04 -4.01 0.23 0.00 -1.51 0.00 0.00 37.83 32.50 2ka0 s LYS 81 CO 0.10 -1.51 1.04 0.25 -0.36 0.00 0.00 175.35 174.87 2ka0 n THR 82 N 6.46 0.00 1.14 3.43 -2.24 -1.26 -4.67 114.28 117.15 2ka0 n THR 82 Ca 0.06 -0.27 0.08 0.00 -2.27 0.00 0.00 64.05 61.64 2ka0 n THR 82 Cb 0.48 -0.99 0.46 0.00 -2.10 0.00 0.00 70.33 68.19 2ka0 n THR 82 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2ka0 n PRO 83 N -4.61 0.57 -2.64 -0.78 -0.04 -1.26 -4.25 135.00 121.99 2ka0 n PRO 83 Ca 0.06 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.17 2ka0 n PRO 83 Cb 0.53 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 2ka0 n PRO 83 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2ka0 n MET 84 N -0.93 4.38 -3.42 0.54 1.56 -1.26 -4.96 117.12 113.04 2ka0 n MET 84 Ca 0.12 -4.59 -0.08 0.00 -0.27 0.00 0.00 57.70 52.87 2ka0 n MET 84 Cb 0.05 -2.37 0.03 0.00 2.15 0.00 0.00 33.22 33.08 2ka0 n MET 84 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 2ka0 n SER 85 N -0.19 -2.00 0.11 6.12 3.41 -1.26 -4.33 113.62 115.47 2ka0 n SER 85 Ca 0.43 -2.39 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 2ka0 n SER 85 Cb 0.32 3.33 0.00 0.00 -0.26 0.00 0.00 64.21 67.60 2ka0 n SER 85 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2ka0 n ASP 86 N -1.47 -0.04 0.02 4.04 -0.08 -1.26 -4.98 116.55 112.77 2ka0 n ASP 86 Ca -0.08 0.36 -0.18 0.00 -1.51 0.00 0.00 54.79 53.38 2ka0 n ASP 86 Cb 0.52 0.27 -0.11 0.00 2.34 0.00 0.00 41.12 44.13 2ka0 n ASP 86 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2ka0 h ASP 87 N 0.00 0.59 -5.16 1.67 3.32 -2.02 -3.48 116.42 111.34 2ka0 h ASP 87 Ca 0.00 -0.78 -0.08 0.00 0.02 0.00 0.00 57.03 56.19 2ka0 h ASP 87 Cb 0.00 -0.18 -0.13 0.00 0.22 0.00 0.00 39.33 39.24 2ka0 h ASP 87 CO 0.00 1.30 -0.24 -1.59 -1.72 0.00 0.00 179.24 176.99 2ka0 s LYS 88 N -3.13 1.04 -1.27 3.56 -2.85 -1.26 -5.08 119.74 110.76 2ka0 s LYS 88 Ca -0.13 -0.95 -0.17 0.00 -1.00 0.00 0.00 55.97 53.72 2ka0 s LYS 88 Cb 0.04 0.40 0.09 0.00 -2.06 0.00 0.00 37.83 36.30 2ka0 s LYS 88 CO 0.84 -0.38 1.67 0.42 0.10 0.00 0.00 175.35 178.00 2ka0 s ILE 89 N -3.88 4.28 0.28 3.79 1.01 -1.26 -4.71 121.20 120.70 2ka0 s ILE 89 Ca 0.08 -1.99 -0.28 0.00 0.00 0.00 0.00 60.65 58.46 2ka0 s ILE 89 Cb 0.03 -5.14 -0.09 0.00 0.01 0.00 0.00 42.46 37.27 2ka0 s ILE 89 CO -0.07 -1.95 0.95 -1.10 0.00 0.00 0.00 174.94 172.76 2ka0 s GLN 90 N 3.78 4.74 0.76 2.79 -0.21 -1.26 -2.84 119.66 127.42 2ka0 s GLN 90 Ca 0.51 1.43 -0.04 0.00 0.02 0.00 0.00 55.36 57.28 2ka0 s GLN 90 Cb 0.03 -3.07 0.14 0.00 1.00 0.00 0.00 33.01 31.10 2ka0 s GLN 90 CO 0.06 0.41 1.06 -1.25 -2.12 0.00 0.00 175.29 173.44 2ka0 s PRO 91 N -1.56 1.51 0.45 2.91 0.04 -1.26 -4.67 135.00 132.43 2ka0 s PRO 91 Ca 0.45 -0.93 0.28 0.00 0.04 0.00 0.00 61.00 60.84 2ka0 s PRO 91 Cb -0.23 -2.23 1.53 0.00 0.04 0.00 0.00 34.50 33.61 2ka0 s PRO 91 CO 0.29 -1.62 1.85 0.00 0.04 0.00 0.00 177.00 177.56 2ka0 h ALA 92 N -0.74 1.05 -2.61 8.56 0.00 -1.96 -3.45 119.26 120.11 2ka0 h ALA 92 Ca -0.38 0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.65 2ka0 h ALA 92 Cb 1.26 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 2ka0 h ALA 92 CO 0.41 -0.05 0.43 0.45 0.00 0.00 0.00 179.25 180.49 2ka0 s SER 93 N -4.31 -0.11 -1.15 0.00 0.15 -1.26 -5.05 113.70 101.96 2ka0 s SER 93 Ca -0.03 -0.64 -0.22 0.00 0.70 0.00 0.00 55.95 55.76 2ka0 s SER 93 Cb 0.08 0.59 -0.09 0.00 -1.71 0.00 0.00 66.02 64.90 2ka0 s SER 93 CO 0.26 -1.14 1.92 0.00 1.20 0.00 0.00 173.24 175.48 2ka0 n ALA 94 N -0.54 2.12 -2.08 5.45 0.00 -1.26 -4.77 120.51 119.44 2ka0 n ALA 94 Ca -0.05 -3.11 -0.33 0.00 0.00 0.00 0.00 53.44 49.94 2ka0 n ALA 94 Cb 0.60 -3.51 -0.06 0.00 0.00 0.00 0.00 19.45 16.48 2ka0 n ALA 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ka0 s VAL 95 N 9.86 4.61 0.81 0.00 -7.23 -1.08 -4.68 120.40 122.68 2ka0 s VAL 95 Ca 0.66 1.10 -0.11 0.00 -1.81 0.00 0.00 61.98 61.82 2ka0 s VAL 95 Cb 0.02 -3.66 0.08 0.00 0.56 0.00 0.00 36.38 33.38 2ka0 s VAL 95 CO 0.13 -0.13 1.13 0.54 -0.31 0.00 0.00 175.10 176.46 2ka0 s ASN 96 N -2.14 3.89 -0.41 4.85 2.20 -1.26 -0.64 114.94 121.43 2ka0 s ASN 96 Ca 0.53 2.07 -0.01 0.00 -0.94 0.00 0.00 52.86 54.51 2ka0 s ASN 96 Cb -0.11 -2.55 0.11 0.00 -2.00 0.00 0.00 41.25 36.70 2ka0 s ASN 96 CO 0.18 -2.45 0.19 -0.69 -2.94 0.00 0.00 177.10 171.38 2ka0 s VAL 97 N -2.61 3.10 -0.12 3.54 1.01 -0.40 -3.75 120.40 121.17 2ka0 s VAL 97 Ca 0.66 -2.19 0.07 0.00 0.00 0.00 0.00 61.98 60.52 2ka0 s VAL 97 Cb -0.22 -3.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.92 2ka0 s VAL 97 CO 0.54 -0.69 0.21 2.30 0.00 0.00 0.00 175.10 177.46 2ka0 n ILE 98 N 4.44 0.00 -4.41 2.22 -5.35 -0.87 -4.79 119.36 110.60 2ka0 n ILE 98 Ca -0.00 -0.23 -0.22 0.00 -0.27 0.00 0.00 62.75 62.03 2ka0 n ILE 98 Cb 0.41 0.58 -0.09 0.00 -1.74 0.00 0.00 39.64 38.80 2ka0 n ILE 98 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2ka0 s GLY 99 N -2.40 2.28 -0.02 3.28 0.00 -0.60 -2.12 107.32 107.74 2ka0 s GLY 99 Ca -0.01 -1.62 0.01 0.00 0.00 0.00 0.00 44.72 43.11 2ka0 s GLY 99 CO 0.29 -1.69 -0.04 1.25 0.00 0.00 0.00 173.10 172.91 2ka0 s LYS 100 N -3.76 0.53 -0.79 2.90 2.47 -0.49 -0.98 119.74 119.62 2ka0 s LYS 100 Ca 0.32 -0.10 -0.25 0.00 -1.56 0.00 0.00 55.97 54.38 2ka0 s LYS 100 Cb 0.04 -0.57 -0.00 0.00 -1.46 0.00 0.00 37.83 35.83 2ka0 s LYS 100 CO 0.17 -0.01 1.69 0.42 0.16 0.00 0.00 175.35 177.78 2ka0 s ILE 101 N 0.51 3.56 -0.07 5.43 1.01 -0.34 -1.20 121.20 130.09 2ka0 s ILE 101 Ca -0.06 -0.09 0.19 0.00 0.00 0.00 0.00 60.65 60.69 2ka0 s ILE 101 Cb -0.09 -4.37 0.15 0.00 0.01 0.00 0.00 42.46 38.17 2ka0 s ILE 101 CO -0.00 -1.30 1.61 -0.37 0.00 0.00 0.00 174.94 174.87 2ka0 h VAL 102 N 6.80 0.67 -3.63 2.92 -1.51 -1.73 -3.45 116.25 116.32 2ka0 h VAL 102 Ca -0.08 -1.68 -0.08 0.00 -1.23 0.00 0.00 66.70 63.63 2ka0 h VAL 102 Cb 1.07 2.13 -0.15 0.00 -2.13 0.00 0.00 31.29 32.21 2ka0 h VAL 102 CO 1.27 0.34 -0.30 -0.70 -1.23 0.00 0.00 177.57 176.95 2ka0 s GLU 103 N -3.26 0.87 0.00 5.19 2.56 -0.88 -4.97 118.70 118.20 2ka0 s GLU 103 Ca 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 54.97 54.19 2ka0 s GLU 103 Cb 0.08 0.36 0.00 0.00 2.00 0.00 0.00 34.13 36.58 2ka0 s GLU 103 CO 0.70 -0.29 0.00 0.41 -0.56 0.00 0.00 175.26 175.52 2ka0 n GLY 104 N 0.08 0.94 0.05 -1.50 0.00 -1.26 -3.13 105.19 100.37 2ka0 n GLY 104 Ca -0.16 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 45.89 2ka0 n GLY 104 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ka0 n LEU 105 N 0.00 0.25 -0.07 0.99 7.94 -1.26 -2.34 117.00 122.50 2ka0 n LEU 105 Ca 0.00 0.57 -0.09 0.00 -1.11 0.00 0.00 56.01 55.38 2ka0 n LEU 105 Cb 0.00 -0.55 -0.09 0.00 0.53 0.00 0.00 43.42 43.31 2ka0 n LEU 105 CO 0.00 -0.44 -0.99 -0.62 -1.11 0.00 0.00 177.39 174.23 2ka0 n GLU 106 N -1.79 1.11 0.23 1.96 1.02 -1.26 -4.55 120.64 117.36 2ka0 n GLU 106 Ca 0.02 0.05 0.16 0.00 -0.02 0.00 0.00 57.16 57.37 2ka0 n GLU 106 Cb 0.15 -1.33 0.65 0.00 -0.02 0.00 0.00 31.44 30.88 2ka0 n GLU 106 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2ka0 h ASP 107 N 0.00 0.00 0.37 1.62 5.19 -1.79 -2.37 116.42 119.44 2ka0 h ASP 107 Ca -0.36 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.98 2ka0 h ASP 107 Cb 1.68 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.18 2ka0 h ASP 107 CO -0.02 0.00 -0.31 -0.07 -3.12 0.00 0.00 179.24 175.72 2ka0 h LEU 108 N 0.00 0.00 -1.74 1.55 4.07 -1.73 -2.82 115.31 114.65 2ka0 h LEU 108 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 2ka0 h LEU 108 Cb 0.44 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.17 2ka0 h LEU 108 CO 0.00 0.31 -0.10 0.11 -1.08 0.00 0.00 178.44 177.68 2ka0 h LYS 109 N 0.00 0.00 -0.43 1.13 1.57 -1.71 -3.15 116.57 113.99 2ka0 h LYS 109 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ka0 h LYS 109 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2ka0 h LYS 109 CO 0.04 0.10 0.00 0.36 -0.57 0.00 0.00 179.45 179.38 2ka0 n LYS 110 N -3.37 2.50 -1.54 3.15 2.85 -1.06 -4.95 118.16 115.72 2ka0 n LYS 110 Ca -0.01 -2.27 -0.30 0.00 -1.05 0.00 0.00 58.31 54.68 2ka0 n LYS 110 Cb 0.28 -1.52 0.10 0.00 -0.65 0.00 0.00 35.03 33.24 2ka0 n LYS 110 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2ka0 s ILE 111 N -1.45 2.93 0.46 0.58 -1.09 -1.19 -4.91 121.20 116.53 2ka0 s ILE 111 Ca 0.40 0.30 0.07 0.00 -2.23 0.00 0.00 60.65 59.19 2ka0 s ILE 111 Cb 0.23 -3.04 -0.01 0.00 -1.58 0.00 0.00 42.46 38.06 2ka0 s ILE 111 CO 0.32 -0.40 0.34 -0.54 -1.23 0.00 0.00 174.94 173.44 2ka0 s LYS 112 N -5.17 2.37 0.00 2.79 -0.14 -1.26 -5.02 119.74 113.31 2ka0 s LYS 112 Ca 0.61 -1.77 0.00 0.00 -1.36 0.00 0.00 55.97 53.46 2ka0 s LYS 112 Cb -0.14 -2.20 0.00 0.00 -1.68 0.00 0.00 37.83 33.81 2ka0 s LYS 112 CO 0.54 -0.32 1.05 -3.47 -0.76 0.00 0.00 175.35 172.39 2ka0 n ASP 113 N -1.55 2.90 0.00 2.83 2.03 -1.26 -3.63 116.55 117.87 2ka0 n ASP 113 Ca 0.01 -1.68 0.00 0.00 0.52 0.00 0.00 54.79 53.64 2ka0 n ASP 113 Cb 0.63 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 2ka0 n ASP 113 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ka0 n GLY 114 N 1.25 -0.35 1.77 0.27 0.00 -0.90 -4.68 105.19 102.54 2ka0 n GLY 114 Ca 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 2ka0 n GLY 114 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ka0 n GLU 115 N 0.00 3.25 -3.14 1.61 -0.58 -1.24 -4.88 120.64 115.66 2ka0 n GLU 115 Ca 0.00 -3.07 -0.06 0.00 -0.42 0.00 0.00 57.16 53.61 2ka0 n GLU 115 Cb 0.00 -2.12 0.01 0.00 -0.57 0.00 0.00 31.44 28.76 2ka0 n GLU 115 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2ka0 n LYS 116 N -0.42 -1.13 -2.25 3.49 5.02 -1.26 -0.95 118.16 120.66 2ka0 n LYS 116 Ca 0.39 1.26 -0.39 0.00 -2.02 0.00 0.00 58.31 57.55 2ka0 n LYS 116 Cb 1.31 -2.05 -0.02 0.00 -0.02 0.00 0.00 35.03 34.24 2ka0 n LYS 116 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2ka0 s VAL 117 N -1.23 3.05 -0.41 -0.18 0.11 -0.63 -4.04 120.40 117.07 2ka0 s VAL 117 Ca 0.06 0.95 0.03 0.00 -2.93 0.00 0.00 61.98 60.09 2ka0 s VAL 117 Cb -0.01 -3.56 0.12 0.00 -1.53 0.00 0.00 36.38 31.40 2ka0 s VAL 117 CO 0.29 0.15 0.17 0.00 -3.33 0.00 0.00 175.10 172.37 2ka0 s ALA 118 N -1.30 2.53 0.34 1.54 0.00 0.18 -1.54 121.76 123.52 2ka0 s ALA 118 Ca 0.53 -2.58 -0.28 0.00 0.00 0.00 0.00 51.96 49.63 2ka0 s ALA 118 Cb -0.34 -1.93 -0.10 0.00 0.00 0.00 0.00 23.12 20.75 2ka0 s ALA 118 CO 0.43 -1.88 1.29 0.08 0.00 0.00 0.00 175.76 175.68 2ka0 s VAL 119 N 0.57 2.76 0.30 0.00 1.01 0.10 -2.67 120.40 122.47 2ka0 s VAL 119 Ca 0.14 0.75 0.04 0.00 0.00 0.00 0.00 61.98 62.92 2ka0 s VAL 119 Cb -0.22 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2ka0 s VAL 119 CO -0.07 0.17 0.27 -0.13 0.00 0.00 0.00 175.10 175.34 2ka0 s ARG 120 N -1.84 1.65 0.00 2.72 0.52 0.10 -1.75 118.95 120.35 2ka0 s ARG 120 Ca 0.50 -1.90 0.29 0.00 -0.52 0.00 0.00 55.73 54.10 2ka0 s ARG 120 Cb -0.39 0.33 1.64 0.00 0.52 0.00 0.00 34.95 37.05 2ka0 s ARG 120 CO 0.51 -0.61 2.06 1.19 0.02 0.00 0.00 175.30 178.48 2ka0 n PHE 121 N -0.54 0.00 -3.90 -0.53 3.72 -1.26 -0.83 117.46 114.12 2ka0 n PHE 121 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 2ka0 n PHE 121 Cb 0.63 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 2ka0 n PHE 121 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ka0 n ALA 122 N -1.12 0.00 -0.88 4.37 0.00 -1.26 -3.47 120.51 118.15 2ka0 n ALA 122 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.58 2ka0 n ALA 122 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.58 2ka0 n ALA 122 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ka0 n SER 123 N -3.22 -2.05 0.00 0.00 3.41 -1.26 -4.94 113.62 105.56 2ka0 n SER 123 Ca 0.00 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2ka0 n SER 123 Cb 0.00 -1.88 0.00 0.00 -0.26 0.00 0.00 64.21 62.07 2ka0 n SER 123 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68