#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 1.75 -0.09 2.12 0.52 -1.25 -1.30 118.95 120.70 2ka0 s ARG 2 Ca 0.00 -0.40 -0.10 0.00 -0.52 0.00 0.00 55.73 54.71 2ka0 s ARG 2 Cb 0.00 -2.11 0.03 0.00 0.52 0.00 0.00 34.95 33.39 2ka0 s ARG 2 CO 0.00 -1.56 0.28 0.08 0.02 0.00 0.00 175.30 174.11 2ka0 s VAL 3 N -3.40 0.01 -0.07 3.52 1.01 -0.14 -4.38 120.40 116.94 2ka0 s VAL 3 Ca 0.64 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.60 2ka0 s VAL 3 Cb -0.08 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 35.89 2ka0 s VAL 3 CO 0.47 -0.03 -0.17 -0.70 0.00 0.00 0.00 175.10 174.66 2ka0 s GLU 4 N -0.01 2.16 -0.37 2.72 2.12 0.58 -0.59 118.70 125.30 2ka0 s GLU 4 Ca -0.01 -0.61 -0.02 0.00 0.36 0.00 0.00 54.97 54.68 2ka0 s GLU 4 Cb -0.02 -1.73 0.09 0.00 0.26 0.00 0.00 34.13 32.73 2ka0 s GLU 4 CO 0.01 0.12 0.14 -0.51 -0.54 0.00 0.00 175.26 174.48 2ka0 s LEU 5 N 0.42 4.84 0.02 2.70 1.02 0.10 -0.47 118.68 127.32 2ka0 s LEU 5 Ca -0.14 -1.81 -0.20 0.00 0.02 0.00 0.00 54.13 52.00 2ka0 s LEU 5 Cb -0.16 -1.79 -0.06 0.00 0.02 0.00 0.00 46.19 44.21 2ka0 s LEU 5 CO 0.05 -0.45 0.58 -0.76 0.02 0.00 0.00 176.35 175.78 2ka0 s LEU 6 N 1.16 4.45 0.35 1.79 1.43 -0.48 -0.71 118.68 126.68 2ka0 s LEU 6 Ca 0.05 1.18 0.05 0.00 -1.03 0.00 0.00 54.13 54.37 2ka0 s LEU 6 Cb -0.22 -2.89 -0.07 0.00 0.03 0.00 0.00 46.19 43.04 2ka0 s LEU 6 CO -0.03 0.17 0.05 -0.36 0.23 0.00 0.00 176.35 176.40 2ka0 s PHE 7 N -0.50 2.11 0.56 0.29 0.40 0.49 -0.28 117.98 121.04 2ka0 s PHE 7 Ca 0.30 -0.89 0.23 0.00 -0.60 0.00 0.00 56.93 55.97 2ka0 s PHE 7 Cb -0.18 -1.42 1.57 0.00 0.51 0.00 0.00 43.02 43.50 2ka0 s PHE 7 CO 0.17 0.12 2.21 0.93 0.70 0.00 0.00 175.22 179.35 2ka0 h GLU 8 N 2.01 0.00 -0.01 0.44 4.39 -1.40 -3.05 114.58 116.96 2ka0 h GLU 8 Ca -0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.28 2ka0 h GLU 8 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2ka0 h GLU 8 CO 0.72 0.00 -0.16 0.43 -1.16 0.00 0.00 179.01 178.84 2ka0 n SER 9 N -4.17 1.34 0.00 1.42 7.64 -1.26 -5.10 113.62 113.49 2ka0 n SER 9 Ca -0.03 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.68 2ka0 n SER 9 Cb 0.09 0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 2ka0 n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ka0 n GLY 10 N 0.83 -0.54 3.50 0.23 0.00 -1.15 -5.01 105.19 103.04 2ka0 n GLY 10 Ca 0.04 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.67 1.10 0.28 1.61 -2.85 -1.26 -0.38 119.74 116.56 2ka0 s LYS 11 Ca 0.00 -0.43 -0.01 0.00 -1.00 0.00 0.00 55.97 54.53 2ka0 s LYS 11 Cb 0.00 0.49 -0.02 0.00 -2.06 0.00 0.00 37.83 36.24 2ka0 s LYS 11 CO 0.00 -0.48 0.31 0.00 0.10 0.00 0.00 175.35 175.28 2ka0 s VAL 13 N -3.64 0.24 0.10 0.00 1.01 -0.41 -0.72 120.40 116.98 2ka0 s VAL 13 Ca 0.35 0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.49 2ka0 s VAL 13 Cb 0.03 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 2ka0 s VAL 13 CO 0.18 0.17 -0.20 0.27 0.00 0.00 0.00 175.10 175.52 2ka0 s ILE 14 N 1.17 2.69 -0.11 2.22 -4.36 0.24 -1.71 121.20 121.34 2ka0 s ILE 14 Ca -0.08 -1.48 0.04 0.00 -0.26 0.00 0.00 60.65 58.86 2ka0 s ILE 14 Cb -0.13 -2.20 0.00 0.00 1.25 0.00 0.00 42.46 41.38 2ka0 s ILE 14 CO -0.02 0.16 -0.23 -0.62 0.24 0.00 0.00 174.94 174.47 2ka0 s ASP 15 N -1.95 3.06 0.40 4.36 -1.08 -0.59 -0.97 116.67 119.91 2ka0 s ASP 15 Ca 0.16 -0.57 0.07 0.00 -0.52 0.00 0.00 52.55 51.70 2ka0 s ASP 15 Cb -0.10 -1.40 -0.08 0.00 -1.46 0.00 0.00 42.92 39.87 2ka0 s ASP 15 CO 0.08 0.13 0.00 -0.76 0.52 0.00 0.00 175.17 175.15 2ka0 s LEU 16 N 0.49 2.87 -0.17 -1.34 1.43 -0.42 -2.19 118.68 119.35 2ka0 s LEU 16 Ca -0.15 -1.35 -0.00 0.00 -1.03 0.00 0.00 54.13 51.59 2ka0 s LEU 16 Cb -0.17 -0.92 0.04 0.00 0.03 0.00 0.00 46.19 45.17 2ka0 s LEU 16 CO 0.06 -0.43 -0.06 0.21 0.23 0.00 0.00 176.35 176.36 2ka0 s ASN 17 N -3.70 2.94 -0.24 2.29 2.47 -1.26 -3.61 114.94 113.82 2ka0 s ASN 17 Ca 0.35 -0.71 -0.04 0.00 0.42 0.00 0.00 52.86 52.87 2ka0 s ASN 17 Cb 0.09 -0.96 -0.14 0.00 -1.45 0.00 0.00 41.25 38.79 2ka0 s ASN 17 CO 0.18 -0.18 2.43 -0.62 -3.72 0.00 0.00 177.10 175.19 2ka0 n GLU 18 N 4.84 1.52 0.00 0.43 1.02 -1.26 -3.10 120.64 124.09 2ka0 n GLU 18 Ca -0.12 -0.85 0.00 0.00 -0.02 0.00 0.00 57.16 56.17 2ka0 n GLU 18 Cb 0.47 -1.98 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 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 3.01 1.10 -2.43 3.49 1.02 -1.26 -4.96 120.64 120.61 2ka0 n GLU 19 Ca 0.33 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 57.13 2ka0 n GLU 19 Cb 0.48 -0.73 -0.02 0.00 -0.02 0.00 0.00 31.44 31.14 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 -1.47 2.99 0.17 -0.32 2.02 -1.18 -4.95 117.35 114.61 2ka0 s TYR 20 Ca 0.00 1.56 -0.15 0.00 -0.37 0.00 0.00 57.07 58.11 2ka0 s TYR 20 Cb 0.00 -3.06 0.08 0.00 -0.40 0.00 0.00 41.96 38.58 2ka0 s TYR 20 CO 0.00 -0.91 1.78 1.49 -1.57 0.00 0.00 175.55 176.34 2ka0 h GLU 21 N 1.31 0.43 -0.76 -0.62 4.57 -1.93 -2.25 114.58 115.34 2ka0 h GLU 21 Ca -0.49 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.66 2ka0 h GLU 21 Cb 1.22 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.68 2ka0 h GLU 21 CO 0.59 0.29 0.44 0.28 -1.18 0.00 0.00 179.01 179.42 2ka0 h VAL 22 N 0.45 1.22 -0.08 0.32 2.07 -1.92 -1.38 116.25 116.93 2ka0 h VAL 22 Ca 0.18 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 2ka0 h VAL 22 Cb 0.08 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2ka0 h VAL 22 CO -0.12 0.24 -0.28 0.58 0.02 0.00 0.00 177.57 178.01 2ka0 h VAL 23 N 1.05 1.42 -0.58 2.57 2.07 -1.71 0.36 116.25 121.43 2ka0 h VAL 23 Ca 0.27 -1.66 0.10 0.00 0.82 0.00 0.00 66.70 66.24 2ka0 h VAL 23 Cb -0.01 2.28 -0.08 0.00 -1.52 0.00 0.00 31.29 31.96 2ka0 h VAL 23 CO -0.05 0.48 0.14 0.11 0.02 0.00 0.00 177.57 178.27 2ka0 h LYS 24 N -0.17 0.27 -0.03 1.57 1.57 -1.30 -1.70 116.57 116.78 2ka0 h LYS 24 Ca -0.01 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.57 2ka0 h LYS 24 Cb 0.91 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 2ka0 h LYS 24 CO 0.06 0.18 -0.77 -0.07 -0.57 0.00 0.00 179.45 178.27 2ka0 h LEU 25 N 0.28 0.27 -0.95 2.94 3.38 -1.01 -3.06 115.31 117.16 2ka0 h LEU 25 Ca 0.30 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2ka0 h LEU 25 Cb 0.43 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2ka0 h LEU 25 CO -0.37 0.94 0.37 -0.07 0.09 0.00 0.00 178.44 179.40 2ka0 h LEU 26 N 0.14 1.01 -0.90 1.67 3.38 0.20 -2.93 115.31 117.89 2ka0 h LEU 26 Ca -0.03 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 57.95 2ka0 h LEU 26 Cb 1.36 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.76 2ka0 h LEU 26 CO 0.12 0.86 0.52 0.50 0.09 0.00 0.00 178.44 180.53 2ka0 h LYS 27 N 1.11 0.77 0.00 1.13 3.64 -1.21 0.13 116.57 122.14 2ka0 h LYS 27 Ca 0.27 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2ka0 h LYS 27 Cb 0.12 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2ka0 h LYS 27 CO -0.03 0.51 -0.01 0.93 -2.27 0.00 0.00 179.45 178.58 2ka0 h GLU 28 N 0.79 0.00 -0.01 1.90 5.08 -1.63 -2.89 114.58 117.82 2ka0 h GLU 28 Ca 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 2ka0 h GLU 28 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2ka0 h GLU 28 CO -0.30 0.01 -0.07 1.63 -1.00 0.00 0.00 179.01 179.27 2ka0 n LYS 29 N -3.17 1.02 -3.85 2.33 4.76 0.41 -4.99 118.16 114.67 2ka0 n LYS 29 Ca -0.02 -0.94 -0.35 0.00 -2.87 0.00 0.00 58.31 54.13 2ka0 n LYS 29 Cb 0.12 -1.16 -0.05 0.00 -1.84 0.00 0.00 35.03 32.10 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 -1.03 5.42 0.76 -0.18 1.01 -0.88 -3.59 121.20 122.71 2ka0 s ILE 30 Ca 0.11 0.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.73 2ka0 s ILE 30 Cb 0.08 -3.50 0.05 0.00 0.01 0.00 0.00 42.46 39.11 2ka0 s ILE 30 CO 0.17 0.45 1.09 -2.16 0.00 0.00 0.00 174.94 174.49 2ka0 s PRO 31 N -1.53 2.34 0.26 2.79 0.04 -1.26 -4.98 135.00 132.66 2ka0 s PRO 31 Ca 0.23 1.17 -0.06 0.00 0.04 0.00 0.00 61.00 62.37 2ka0 s PRO 31 Cb -0.13 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 2ka0 s PRO 31 CO 0.12 -1.58 0.37 -0.59 0.04 0.00 0.00 177.00 175.36 2ka0 s PHE 32 N -2.87 0.81 0.33 0.56 -0.71 -0.40 -5.01 117.98 110.68 2ka0 s PHE 32 Ca 0.61 -1.08 0.06 0.00 -1.04 0.00 0.00 56.93 55.48 2ka0 s PHE 32 Cb -0.17 -0.13 -0.06 0.00 -1.21 0.00 0.00 43.02 41.44 2ka0 s PHE 32 CO 0.55 -0.92 -0.02 -1.21 -1.34 0.00 0.00 175.22 172.29 2ka0 s GLU 33 N -3.82 1.69 0.13 1.99 2.02 -1.26 -0.19 118.70 119.27 2ka0 s GLU 33 Ca 0.30 -1.91 -0.24 0.00 0.02 0.00 0.00 54.97 53.14 2ka0 s GLU 33 Cb 0.02 -1.24 0.08 0.00 0.10 0.00 0.00 34.13 33.09 2ka0 s GLU 33 CO 0.13 -0.03 1.10 0.45 0.02 0.00 0.00 175.26 176.93 2ka0 s SER 34 N -3.53 -0.01 0.15 -0.19 0.15 -0.59 -4.97 113.70 104.72 2ka0 s SER 34 Ca 0.33 -0.53 -0.27 0.00 0.70 0.00 0.00 55.95 56.17 2ka0 s SER 34 Cb 0.06 0.41 -0.07 0.00 -1.71 0.00 0.00 66.02 64.71 2ka0 s SER 34 CO 0.15 -0.80 0.85 -0.69 1.20 0.00 0.00 173.24 173.94 2ka0 s VAL 35 N -2.21 4.39 -1.19 4.45 1.01 -1.26 -1.44 120.40 124.15 2ka0 s VAL 35 Ca 0.23 1.85 -0.08 0.00 0.00 0.00 0.00 61.98 63.98 2ka0 s VAL 35 Cb -0.02 -4.21 0.23 0.00 0.00 0.00 0.00 36.38 32.38 2ka0 s VAL 35 CO 0.03 0.45 1.64 0.52 0.00 0.00 0.00 175.10 177.75 2ka0 n VAL 36 N 2.00 4.75 -2.07 2.92 0.31 -1.26 -4.19 118.33 120.79 2ka0 n VAL 36 Ca -0.03 -5.10 -0.34 0.00 -0.01 0.00 0.00 64.34 58.86 2ka0 n VAL 36 Cb 0.49 -2.27 0.02 0.00 -0.91 0.00 0.00 33.84 31.16 2ka0 n VAL 36 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2ka0 s ASN 37 N 0.00 5.51 0.14 4.52 0.01 -0.71 -2.27 114.94 122.15 2ka0 s ASN 37 Ca 0.36 2.09 0.09 0.00 -0.71 0.00 0.00 52.86 54.69 2ka0 s ASN 37 Cb 0.05 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 2ka0 s ASN 37 CO 0.04 -1.36 -0.22 0.42 -1.51 0.00 0.00 177.10 174.47 2ka0 s THR 38 N -2.02 1.98 -0.50 1.60 -4.23 -1.26 -1.18 115.64 110.02 2ka0 s THR 38 Ca 0.70 -1.78 0.07 0.00 -1.18 0.00 0.00 61.69 59.49 2ka0 s THR 38 Cb -0.22 -1.83 0.19 0.00 1.34 0.00 0.00 72.50 71.97 2ka0 s THR 38 CO 0.33 -0.11 0.68 1.87 -0.54 0.00 0.00 174.62 176.85 2ka0 n TRP 39 N 0.68 -3.38 -1.12 3.99 -0.00 -1.10 -4.97 117.44 111.55 2ka0 n TRP 39 Ca -0.16 -1.68 0.00 0.00 -0.00 0.00 0.00 57.50 55.66 2ka0 n TRP 39 Cb 0.55 1.30 0.00 0.00 -0.00 0.00 0.00 31.31 33.16 2ka0 n TRP 39 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2ka0 n GLY 40 N 2.88 0.69 3.95 5.87 0.00 -1.26 -4.12 105.19 113.19 2ka0 n GLY 40 Ca 0.20 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 2ka0 n GLY 40 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ka0 n GLU 41 N -0.80 -5.12 -4.25 1.61 2.13 -1.26 -3.52 120.64 109.42 2ka0 n GLU 41 Ca 0.00 0.56 -0.14 0.00 0.66 0.00 0.00 57.16 58.24 2ka0 n GLU 41 Cb 0.32 -5.40 -0.10 0.00 0.27 0.00 0.00 31.44 26.53 2ka0 n GLU 41 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2ka0 s GLU 42 N -6.63 1.18 -0.07 5.31 4.04 -1.26 -3.16 118.70 118.10 2ka0 s GLU 42 Ca 0.62 -1.59 0.00 0.00 0.04 0.00 0.00 54.97 54.05 2ka0 s GLU 42 Cb -0.32 -0.21 0.02 0.00 0.02 0.00 0.00 34.13 33.64 2ka0 s GLU 42 CO 0.84 -0.19 -0.05 0.42 -1.84 0.00 0.00 175.26 174.44 2ka0 s ILE 43 N -3.72 0.72 0.08 1.83 1.01 -0.94 -2.71 121.20 117.47 2ka0 s ILE 43 Ca 0.28 -0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.84 2ka0 s ILE 43 Cb 0.07 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.74 2ka0 s ILE 43 CO 0.06 0.29 -0.18 -0.72 0.00 0.00 0.00 174.94 174.40 2ka0 s TYR 44 N 1.39 1.54 0.03 3.97 1.13 -0.33 -1.20 117.35 123.89 2ka0 s TYR 44 Ca -0.03 -0.42 0.02 0.00 -1.41 0.00 0.00 57.07 55.23 2ka0 s TYR 44 Cb -0.13 -0.86 -0.02 0.00 -1.10 0.00 0.00 41.96 39.84 2ka0 s TYR 44 CO -0.03 0.13 -0.07 -0.59 -2.51 0.00 0.00 175.55 172.48 2ka0 s PHE 45 N -1.15 0.57 -1.25 -3.49 -0.71 -1.26 -1.74 117.98 108.95 2ka0 s PHE 45 Ca 0.03 -0.44 -0.18 0.00 -1.04 0.00 0.00 56.93 55.30 2ka0 s PHE 45 Cb -0.10 -0.35 -0.00 0.00 -1.21 0.00 0.00 43.02 41.36 2ka0 s PHE 45 CO 0.03 -0.09 1.97 -1.13 -1.34 0.00 0.00 175.22 174.67 2ka0 n SER 46 N 1.71 3.89 -4.76 1.98 3.41 -1.26 -2.70 113.62 115.89 2ka0 n SER 46 Ca -0.21 -2.82 -0.38 0.00 -0.26 0.00 0.00 58.87 55.19 2ka0 n SER 46 Cb 0.55 -1.61 0.02 0.00 -0.26 0.00 0.00 64.21 62.92 2ka0 n SER 46 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2ka0 s THR 47 N 4.97 2.34 -1.87 6.66 -4.23 -1.00 -4.91 115.64 117.60 2ka0 s THR 47 Ca 0.54 0.27 0.31 0.00 -1.18 0.00 0.00 61.69 61.63 2ka0 s THR 47 Cb 0.09 -3.14 0.72 0.00 1.34 0.00 0.00 72.50 71.51 2ka0 s THR 47 CO 0.03 0.01 2.09 -0.81 -0.54 0.00 0.00 174.62 175.40 2ka0 n PRO 48 N -0.69 0.89 -4.17 3.99 -0.04 -1.26 -4.66 135.00 129.07 2ka0 n PRO 48 Ca 0.08 -0.13 -0.35 0.00 -0.04 0.00 0.00 63.50 63.06 2ka0 n PRO 48 Cb 0.45 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.32 2ka0 n PRO 48 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ka0 s VAL 49 N -2.20 4.67 -0.50 0.52 0.11 -1.26 -5.07 120.40 116.67 2ka0 s VAL 49 Ca 0.40 -0.10 0.04 0.00 -2.93 0.00 0.00 61.98 59.39 2ka0 s VAL 49 Cb 0.21 -3.02 0.16 0.00 -1.53 0.00 0.00 36.38 32.20 2ka0 s VAL 49 CO 0.40 0.56 0.36 0.54 -3.33 0.00 0.00 175.10 173.63 2ka0 s ASN 50 N -0.48 2.85 0.63 3.54 2.20 -1.26 -4.85 114.94 117.57 2ka0 s ASN 50 Ca 0.10 -3.16 -0.00 0.00 -0.94 0.00 0.00 52.86 48.85 2ka0 s ASN 50 Cb -0.12 -0.87 0.07 0.00 -2.00 0.00 0.00 41.25 38.33 2ka0 s ASN 50 CO 0.02 -0.17 0.89 0.68 -2.94 0.00 0.00 177.10 175.58 2ka0 s VAL 51 N -0.26 2.42 -0.02 3.54 -7.23 -1.26 -5.05 120.40 112.54 2ka0 s VAL 51 Ca 0.27 -0.60 0.03 0.00 -1.81 0.00 0.00 61.98 59.87 2ka0 s VAL 51 Cb -0.05 -2.82 0.04 0.00 0.56 0.00 0.00 36.38 34.11 2ka0 s VAL 51 CO -0.14 0.00 0.83 0.00 -0.31 0.00 0.00 175.10 175.48 2ka0 n GLN 52 N -2.60 0.87 -4.12 4.82 1.13 -1.26 -4.74 117.38 111.47 2ka0 n GLN 52 Ca 0.11 -1.15 -0.34 0.00 -1.94 0.00 0.00 57.00 53.67 2ka0 n GLN 52 Cb 0.60 -0.76 -0.14 0.00 0.11 0.00 0.00 30.24 30.05 2ka0 n GLN 52 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2ka0 s LYS 53 N -0.65 3.43 -0.09 -1.09 2.20 -1.26 -5.09 119.74 117.19 2ka0 s LYS 53 Ca 0.05 -0.61 -0.00 0.00 -0.36 0.00 0.00 55.97 55.04 2ka0 s LYS 53 Cb 0.04 -2.94 0.02 0.00 -1.51 0.00 0.00 37.83 33.44 2ka0 s LYS 53 CO 0.00 -0.06 -0.06 0.00 -0.36 0.00 0.00 175.35 174.87 2ka0 s MET 54 N 1.12 1.25 -0.18 4.03 0.23 -1.26 -4.70 119.30 119.80 2ka0 s MET 54 Ca 0.01 -0.18 0.03 0.00 -1.03 0.00 0.00 55.69 54.53 2ka0 s MET 54 Cb -0.15 -1.32 -0.22 0.00 -1.53 0.00 0.00 34.83 31.61 2ka0 s MET 54 CO -0.01 -0.21 0.13 0.39 -2.03 0.00 0.00 175.02 173.30 2ka0 n GLU 55 N 4.71 0.69 -2.87 3.16 -0.58 -1.26 -4.58 120.64 119.92 2ka0 n GLU 55 Ca -0.14 0.18 -0.30 0.00 -0.42 0.00 0.00 57.16 56.48 2ka0 n GLU 55 Cb 0.50 -1.62 -0.03 0.00 -0.57 0.00 0.00 31.44 29.73 2ka0 n GLU 55 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2ka0 n ASN 56 N -3.23 5.19 -4.76 1.62 5.15 -1.26 -5.08 115.26 112.88 2ka0 n ASN 56 Ca -0.36 -3.69 -0.38 0.00 -0.60 0.00 0.00 54.58 49.55 2ka0 n ASN 56 Cb 1.04 -0.71 0.01 0.00 -0.53 0.00 0.00 39.78 39.59 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 -3.68 3.63 -0.01 1.20 0.04 -1.26 -2.85 135.00 132.07 2ka0 s PRO 57 Ca 0.47 2.06 -0.05 0.00 0.04 0.00 0.00 61.00 63.52 2ka0 s PRO 57 Cb 0.26 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2ka0 s PRO 57 CO -0.14 -0.74 0.11 1.03 0.04 0.00 0.00 177.00 177.30 2ka0 s ARG 58 N -2.61 0.34 0.00 4.56 1.81 -0.50 -4.89 118.95 117.67 2ka0 s ARG 58 Ca 0.64 -0.24 0.20 0.00 -1.72 0.00 0.00 55.73 54.61 2ka0 s ARG 58 Cb -0.36 0.14 -0.03 0.00 -0.45 0.00 0.00 34.95 34.26 2ka0 s ARG 58 CO 0.44 -0.07 0.98 0.39 -0.68 0.00 0.00 175.30 176.36 2ka0 n GLU 59 N 2.00 1.33 -3.68 3.54 1.02 -1.26 -3.33 120.64 120.26 2ka0 n GLU 59 Ca -0.19 -0.84 -0.15 0.00 -0.02 0.00 0.00 57.16 55.96 2ka0 n GLU 59 Cb 0.57 -1.40 -0.08 0.00 -0.02 0.00 0.00 31.44 30.51 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 -2.31 0.04 0.36 2.62 0.11 -1.26 -3.81 120.40 116.14 2ka0 s VAL 60 Ca 0.16 -0.31 0.04 0.00 -2.93 0.00 0.00 61.98 58.94 2ka0 s VAL 60 Cb 0.16 -0.74 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 2ka0 s VAL 60 CO 0.54 -0.17 0.16 1.33 -3.33 0.00 0.00 175.10 173.63 2ka0 n VAL 61 N 1.19 0.00 -3.19 2.04 0.24 -0.81 -4.99 118.33 112.81 2ka0 n VAL 61 Ca -0.21 -2.18 -0.20 0.00 -2.04 0.00 0.00 64.34 59.71 2ka0 n VAL 61 Cb 0.56 0.85 0.04 0.00 -1.47 0.00 0.00 33.84 33.82 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 -3.38 2.42 0.00 7.34 2.02 -1.26 -4.57 118.70 121.27 2ka0 s GLU 62 Ca 0.23 -1.61 0.29 0.00 0.02 0.00 0.00 54.97 53.90 2ka0 s GLU 62 Cb 0.01 -2.57 1.50 0.00 0.10 0.00 0.00 34.13 33.17 2ka0 s GLU 62 CO 0.16 -0.66 2.01 -0.89 0.02 0.00 0.00 175.26 175.90 2ka0 n ILE 63 N -2.05 0.06 -2.49 -1.63 5.41 -1.26 -3.27 119.36 114.13 2ka0 n ILE 63 Ca 0.11 0.01 -0.05 0.00 1.00 0.00 0.00 62.75 63.82 2ka0 n ILE 63 Cb 0.61 -0.55 0.05 0.00 -0.71 0.00 0.00 39.64 39.05 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 1.07 3.10 3.75 7.39 0.00 -1.26 -4.14 105.19 115.10 2ka0 n GLY 64 Ca 0.15 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.45 4.23 0.36 1.61 1.01 -1.20 -2.27 116.67 116.96 2ka0 s ASP 65 Ca 0.35 -1.39 0.09 0.00 0.71 0.00 0.00 52.55 52.31 2ka0 s ASP 65 Cb 0.36 0.09 -0.06 0.00 1.01 0.00 0.00 42.92 44.31 2ka0 s ASP 65 CO -0.04 -0.74 -0.05 -0.69 0.21 0.00 0.00 175.17 173.85 2ka0 s VAL 66 N -2.76 2.28 0.33 -1.27 1.01 -1.06 -3.52 120.40 115.40 2ka0 s VAL 66 Ca 0.25 -2.12 0.05 0.00 0.00 0.00 0.00 61.98 60.16 2ka0 s VAL 66 Cb 0.03 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 2ka0 s VAL 66 CO 0.14 -0.16 0.32 -0.83 0.00 0.00 0.00 175.10 174.56 2ka0 s GLY 67 N -3.65 2.16 -0.07 4.51 0.00 0.39 -4.52 107.32 106.14 2ka0 s GLY 67 Ca 0.34 -1.96 0.02 0.00 0.00 0.00 0.00 44.72 43.11 2ka0 s GLY 67 CO 0.17 -1.37 -0.12 -2.52 0.00 0.00 0.00 173.10 169.26 2ka0 s TYR 68 N -3.35 1.45 -0.61 1.90 1.13 -1.24 -1.98 117.35 114.65 2ka0 s TYR 68 Ca 0.39 -0.54 0.03 0.00 -1.41 0.00 0.00 57.07 55.54 2ka0 s TYR 68 Cb 0.02 -1.07 0.15 0.00 -1.10 0.00 0.00 41.96 39.96 2ka0 s TYR 68 CO 0.26 -0.28 0.38 -0.46 -2.51 0.00 0.00 175.55 172.94 2ka0 s TRP 69 N 0.70 3.36 0.22 -3.49 -0.00 0.20 -4.34 118.94 115.59 2ka0 s TRP 69 Ca -0.14 -3.17 0.19 0.00 -0.00 0.00 0.00 56.10 52.99 2ka0 s TRP 69 Cb -0.16 -2.86 0.78 0.00 -0.00 0.00 0.00 33.47 31.24 2ka0 s TRP 69 CO 0.03 -0.69 1.78 -1.00 -0.00 0.00 0.00 176.95 177.07 2ka0 h PRO 70 N 6.20 0.00 0.00 5.86 0.13 -1.85 -1.47 132.00 140.87 2ka0 h PRO 70 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2ka0 h PRO 70 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2ka0 h PRO 70 CO 0.71 0.34 0.00 -1.00 -0.23 0.00 0.00 178.00 177.82 2ka0 h PRO 71 N 0.00 0.00 -0.02 1.56 0.13 -1.94 -2.07 132.00 129.67 2ka0 h PRO 71 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2ka0 h PRO 71 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2ka0 h PRO 71 CO 0.04 0.00 -0.22 0.41 -0.23 0.00 0.00 178.00 178.00 2ka0 n GLY 72 N 0.91 0.32 3.45 1.56 0.00 -1.24 -5.03 105.19 105.16 2ka0 n GLY 72 Ca 0.04 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.29 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 0.51 -1.43 -3.96 1.61 4.01 -0.78 -4.95 118.16 113.18 2ka0 n LYS 73 Ca 0.10 0.91 -0.12 0.00 -0.51 0.00 0.00 58.31 58.70 2ka0 n LYS 73 Cb 0.47 -4.45 -0.02 0.00 -0.51 0.00 0.00 35.03 30.52 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 -3.20 0.00 0.76 7.82 0.00 -0.57 -2.38 121.76 124.20 2ka0 s ALA 74 Ca 0.21 -1.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 2ka0 s ALA 74 Cb -0.07 0.95 0.13 0.00 0.00 0.00 0.00 23.12 24.13 2ka0 s ALA 74 CO 0.82 -0.88 0.87 1.28 0.00 0.00 0.00 175.76 177.85 2ka0 n LEU 75 N -0.53 0.00 -3.68 0.00 7.99 -1.10 -0.63 117.00 119.05 2ka0 n LEU 75 Ca -0.03 -1.54 -0.09 0.00 -0.01 0.00 0.00 56.01 54.34 2ka0 n LEU 75 Cb 0.61 -0.60 -0.10 0.00 -0.11 0.00 0.00 43.42 43.22 2ka0 n LEU 75 CO 0.27 -0.99 0.09 0.00 -1.51 0.00 0.00 177.39 175.25 2ka0 s LEU 77 N 1.69 5.13 -0.02 0.00 1.02 -0.34 -0.46 118.68 125.69 2ka0 s LEU 77 Ca -0.08 -1.48 -0.23 0.00 0.02 0.00 0.00 54.13 52.36 2ka0 s LEU 77 Cb -0.09 -1.99 -0.05 0.00 0.02 0.00 0.00 46.19 44.09 2ka0 s LEU 77 CO -0.14 -0.53 0.69 -0.36 0.02 0.00 0.00 176.35 176.03 2ka0 s PHE 78 N 1.43 3.65 0.00 0.29 0.40 -1.23 -2.21 117.98 120.30 2ka0 s PHE 78 Ca 0.03 1.29 0.09 0.00 -0.60 0.00 0.00 56.93 57.74 2ka0 s PHE 78 Cb -0.23 -2.75 0.15 0.00 0.51 0.00 0.00 43.02 40.70 2ka0 s PHE 78 CO 0.02 0.21 0.99 1.97 0.70 0.00 0.00 175.22 179.11 2ka0 n PHE 79 N 3.24 0.00 0.00 0.36 1.16 -1.19 -4.24 117.46 116.79 2ka0 n PHE 79 Ca -0.03 -0.37 0.00 0.00 -1.87 0.00 0.00 57.45 55.18 2ka0 n PHE 79 Cb 0.51 0.16 0.00 0.00 -1.61 0.00 0.00 39.48 38.54 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 0.18 -1.33 3.64 4.97 0.00 -1.24 -5.00 105.19 106.40 2ka0 n GLY 80 Ca -0.08 0.62 -0.09 0.00 0.00 0.00 0.00 46.02 46.47 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 0.24 0.61 0.58 1.61 2.36 -1.26 -4.91 119.74 118.96 2ka0 s LYS 81 Ca 0.00 0.83 -0.05 0.00 -2.55 0.00 0.00 55.97 54.20 2ka0 s LYS 81 Cb 0.00 0.24 0.01 0.00 -1.05 0.00 0.00 37.83 37.03 2ka0 s LYS 81 CO 0.00 -0.09 0.87 0.95 1.55 0.00 0.00 175.35 178.63 2ka0 s THR 82 N 0.73 3.53 -0.55 3.43 -4.23 -1.23 -4.55 115.64 112.77 2ka0 s THR 82 Ca -0.02 -0.13 0.24 0.00 -1.18 0.00 0.00 61.69 60.60 2ka0 s THR 82 Cb -0.05 -3.39 0.30 0.00 1.34 0.00 0.00 72.50 70.70 2ka0 s THR 82 CO -0.08 -0.38 1.65 1.55 -0.54 0.00 0.00 174.62 176.81 2ka0 h PRO 83 N -0.12 0.00 0.00 3.99 0.13 -1.85 -3.35 132.00 130.80 2ka0 h PRO 83 Ca -0.45 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.54 2ka0 h PRO 83 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 2ka0 h PRO 83 CO 0.60 0.00 -0.66 1.98 -0.23 0.00 0.00 178.00 179.69 2ka0 h MET 84 N 0.00 0.00 0.00 0.86 4.05 -1.93 -3.45 114.93 114.46 2ka0 h MET 84 Ca 0.00 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.33 2ka0 h MET 84 Cb 0.89 0.00 0.04 0.00 -0.80 0.00 0.00 31.60 31.73 2ka0 h MET 84 CO 0.00 0.66 0.06 0.43 0.23 0.00 0.00 176.91 178.29 2ka0 n SER 85 N -3.50 -0.49 0.00 1.39 7.64 -1.26 -4.98 113.62 112.43 2ka0 n SER 85 Ca -0.00 -0.92 0.00 0.00 1.01 0.00 0.00 58.87 58.96 2ka0 n SER 85 Cb 0.71 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2ka0 n SER 85 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2ka0 n ASP 86 N -3.27 0.00 0.08 6.43 2.03 -1.26 -4.97 116.55 115.58 2ka0 n ASP 86 Ca 0.03 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.24 2ka0 n ASP 86 Cb 0.13 0.09 -0.07 0.00 -0.72 0.00 0.00 41.12 40.54 2ka0 n ASP 86 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2ka0 h ASP 87 N 0.00 -0.23 -5.75 1.67 5.19 -1.98 -3.49 116.42 111.83 2ka0 h ASP 87 Ca 0.00 -0.30 -0.49 0.00 -0.62 0.00 0.00 57.03 55.63 2ka0 h ASP 87 Cb 0.00 0.06 -0.13 0.00 0.18 0.00 0.00 39.33 39.44 2ka0 h ASP 87 CO 0.00 0.29 -0.48 -1.59 -3.12 0.00 0.00 179.24 174.34 2ka0 s LYS 88 N -3.54 1.80 -1.32 3.56 -2.85 -1.26 -5.07 119.74 111.06 2ka0 s LYS 88 Ca -0.12 -2.05 -0.14 0.00 -1.00 0.00 0.00 55.97 52.66 2ka0 s LYS 88 Cb 0.01 0.27 0.11 0.00 -2.06 0.00 0.00 37.83 36.16 2ka0 s LYS 88 CO 0.46 -0.65 1.84 -0.89 0.10 0.00 0.00 175.35 176.21 2ka0 n ILE 89 N -0.66 3.99 -3.02 3.79 -0.00 -1.26 -4.72 119.36 117.47 2ka0 n ILE 89 Ca 0.07 -4.03 -0.38 0.00 -0.00 0.00 0.00 62.75 58.42 2ka0 n ILE 89 Cb 0.62 -2.45 -0.06 0.00 -0.00 0.00 0.00 39.64 37.75 2ka0 n ILE 89 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 2ka0 s GLN 90 N 2.32 4.41 0.97 0.38 -0.21 -1.26 -1.93 119.66 124.33 2ka0 s GLN 90 Ca 0.46 1.03 -0.16 0.00 0.02 0.00 0.00 55.36 56.71 2ka0 s GLN 90 Cb 0.07 -3.03 0.23 0.00 1.00 0.00 0.00 33.01 31.28 2ka0 s GLN 90 CO -0.00 0.46 1.06 -0.35 -2.12 0.00 0.00 175.29 174.34 2ka0 n PRO 91 N 1.08 -2.00 0.09 2.91 -0.04 -1.25 -4.10 135.00 131.68 2ka0 n PRO 91 Ca -0.03 -1.67 0.08 0.00 -0.04 0.00 0.00 63.50 61.84 2ka0 n PRO 91 Cb 0.50 -1.31 0.38 0.00 -0.04 0.00 0.00 33.50 33.03 2ka0 n PRO 91 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ka0 n ALA 92 N -4.19 1.29 0.00 0.55 0.00 -1.26 -4.77 120.51 112.12 2ka0 n ALA 92 Ca -0.18 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2ka0 n ALA 92 Cb 0.51 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2ka0 n ALA 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ka0 n SER 93 N -1.96 0.00 -4.55 0.00 2.88 -1.26 -5.07 113.62 103.66 2ka0 n SER 93 Ca 0.01 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 2ka0 n SER 93 Cb 0.10 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.52 2ka0 n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ka0 s ALA 94 N -1.80 2.15 1.07 -1.46 0.00 -1.26 -4.75 121.76 115.70 2ka0 s ALA 94 Ca 0.00 -1.16 -0.06 0.00 0.00 0.00 0.00 51.96 50.73 2ka0 s ALA 94 Cb 0.00 -4.40 0.10 0.00 0.00 0.00 0.00 23.12 18.83 2ka0 s ALA 94 CO 0.00 -4.07 0.23 0.28 0.00 0.00 0.00 175.76 172.20 2ka0 n VAL 95 N 7.27 0.00 -3.76 0.00 0.31 -1.21 -4.87 118.33 116.07 2ka0 n VAL 95 Ca 0.25 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.44 2ka0 n VAL 95 Cb 0.50 -0.26 -0.15 0.00 -0.91 0.00 0.00 33.84 33.02 2ka0 n VAL 95 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2ka0 s ASN 96 N -2.22 -0.06 -1.16 4.52 3.84 -1.26 -1.41 114.94 117.19 2ka0 s ASN 96 Ca 0.18 0.23 -0.16 0.00 0.21 0.00 0.00 52.86 53.31 2ka0 s ASN 96 Cb -0.03 0.12 0.14 0.00 -0.55 0.00 0.00 41.25 40.92 2ka0 s ASN 96 CO 0.15 -0.14 1.44 -0.69 -2.79 0.00 0.00 177.10 175.06 2ka0 s VAL 97 N 1.11 4.72 -0.04 -5.21 1.01 -1.13 -3.73 120.40 117.13 2ka0 s VAL 97 Ca -0.09 -2.17 -0.02 0.00 0.00 0.00 0.00 61.98 59.70 2ka0 s VAL 97 Cb -0.12 -4.95 -0.01 0.00 0.00 0.00 0.00 36.38 31.30 2ka0 s VAL 97 CO -0.05 -1.70 0.16 0.16 0.00 0.00 0.00 175.10 173.67 2ka0 h ILE 98 N 5.21 0.00 -1.84 2.22 3.07 -1.87 -3.48 117.51 120.82 2ka0 h ILE 98 Ca 0.30 -0.40 -0.45 0.00 1.55 0.00 0.00 64.86 65.86 2ka0 h ILE 98 Cb 0.91 0.00 0.05 0.00 -0.27 0.00 0.00 36.82 37.51 2ka0 h ILE 98 CO 1.27 0.00 -0.05 -0.83 -1.05 0.00 0.00 178.15 177.49 2ka0 s GLY 99 N -2.55 1.81 0.00 0.16 0.00 -1.26 -4.57 107.32 100.92 2ka0 s GLY 99 Ca -0.01 -1.68 0.02 0.00 0.00 0.00 0.00 44.72 43.06 2ka0 s GLY 99 CO 0.04 -1.30 -0.08 1.25 0.00 0.00 0.00 173.10 173.01 2ka0 s LYS 100 N -4.77 0.58 -0.70 2.90 2.47 -0.93 -2.57 119.74 116.73 2ka0 s LYS 100 Ca 0.60 -0.34 -0.27 0.00 -1.56 0.00 0.00 55.97 54.40 2ka0 s LYS 100 Cb -0.08 -0.54 0.01 0.00 -1.46 0.00 0.00 37.83 35.76 2ka0 s LYS 100 CO 0.39 0.14 1.46 0.42 0.16 0.00 0.00 175.35 177.92 2ka0 s ILE 101 N -0.35 3.61 -0.01 5.43 1.01 -0.96 -1.54 121.20 128.40 2ka0 s ILE 101 Ca 0.01 0.36 -0.10 0.00 0.00 0.00 0.00 60.65 60.92 2ka0 s ILE 101 Cb -0.04 -4.61 -0.31 0.00 0.01 0.00 0.00 42.46 37.51 2ka0 s ILE 101 CO -0.00 -1.55 0.81 -0.37 0.00 0.00 0.00 174.94 173.82 2ka0 h VAL 102 N 6.30 1.09 -4.11 2.92 -1.51 -1.61 -3.43 116.25 115.90 2ka0 h VAL 102 Ca -0.27 -2.65 -0.15 0.00 -1.23 0.00 0.00 66.70 62.40 2ka0 h VAL 102 Cb 1.08 2.83 -0.15 0.00 -2.13 0.00 0.00 31.29 32.93 2ka0 h VAL 102 CO 1.26 0.84 -0.69 -1.61 -1.23 0.00 0.00 177.57 176.14 2ka0 s GLU 103 N -2.60 0.67 -0.36 5.19 0.41 -0.69 -4.95 118.70 116.36 2ka0 s GLU 103 Ca -0.12 -1.23 -0.00 0.00 -0.41 0.00 0.00 54.97 53.20 2ka0 s GLU 103 Cb 0.05 0.08 0.00 0.00 -1.78 0.00 0.00 34.13 32.49 2ka0 s GLU 103 CO 0.88 -0.08 0.35 0.41 -0.49 0.00 0.00 175.26 176.32 2ka0 n GLY 104 N 0.12 -0.78 0.04 -1.39 0.00 -1.26 -1.29 105.19 100.62 2ka0 n GLY 104 Ca -0.14 0.16 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 2ka0 n GLY 104 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ka0 h LEU 105 N 0.27 0.00 -1.31 0.99 5.85 -1.92 -3.40 115.31 115.78 2ka0 h LEU 105 Ca 0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2ka0 h LEU 105 Cb 0.97 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 2ka0 h LEU 105 CO 0.15 0.41 -0.34 -0.33 -0.34 0.00 0.00 178.44 177.99 2ka0 h GLU 106 N -0.59 0.00 0.00 1.25 5.08 -1.96 -2.69 114.58 115.66 2ka0 h GLU 106 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ka0 h GLU 106 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2ka0 h GLU 106 CO 0.00 0.34 0.00 -0.25 -1.00 0.00 0.00 179.01 178.10 2ka0 n ASP 107 N -4.01 0.34 0.05 1.42 9.92 -1.26 -1.56 116.55 121.45 2ka0 n ASP 107 Ca -0.02 0.64 -0.15 0.00 -0.53 0.00 0.00 54.79 54.73 2ka0 n ASP 107 Cb 0.39 -0.69 -0.14 0.00 -0.64 0.00 0.00 41.12 40.04 2ka0 n ASP 107 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2ka0 h LEU 108 N 0.00 0.32 -1.91 0.64 3.38 -1.69 -3.36 115.31 112.69 2ka0 h LEU 108 Ca 0.00 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 2ka0 h LEU 108 Cb 0.08 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2ka0 h LEU 108 CO 0.00 1.39 -0.06 0.11 0.09 0.00 0.00 178.44 179.96 2ka0 h LYS 109 N 0.06 0.00 -0.52 1.13 1.57 -1.44 -1.26 116.57 116.10 2ka0 h LYS 109 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2ka0 h LYS 109 Cb 2.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.31 2ka0 h LYS 109 CO 0.15 0.06 0.00 0.36 -0.57 0.00 0.00 179.45 179.45 2ka0 n LYS 110 N -3.29 2.24 -3.60 3.15 2.85 -1.25 -4.91 118.16 113.35 2ka0 n LYS 110 Ca -0.01 -1.85 -0.38 0.00 -1.05 0.00 0.00 58.31 55.02 2ka0 n LYS 110 Cb 0.24 -1.42 -0.06 0.00 -0.65 0.00 0.00 35.03 33.14 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 -1.34 5.19 0.80 0.58 -1.09 -0.48 -4.88 121.20 119.98 2ka0 s ILE 111 Ca 0.34 0.64 -0.08 0.00 -2.23 0.00 0.00 60.65 59.32 2ka0 s ILE 111 Cb 0.18 -3.62 0.13 0.00 -1.58 0.00 0.00 42.46 37.57 2ka0 s ILE 111 CO 0.23 0.56 1.13 -0.54 -1.23 0.00 0.00 174.94 175.09 2ka0 s LYS 112 N -0.85 1.48 0.00 2.79 -0.14 -1.26 -4.97 119.74 116.78 2ka0 s LYS 112 Ca 0.21 -0.54 0.00 0.00 -1.36 0.00 0.00 55.97 54.27 2ka0 s LYS 112 Cb -0.15 -2.09 0.00 0.00 -1.68 0.00 0.00 37.83 33.91 2ka0 s LYS 112 CO 0.10 -1.73 0.23 -0.25 -0.76 0.00 0.00 175.35 172.93 2ka0 n ASP 113 N -3.21 0.21 0.00 2.83 8.00 -1.25 -4.10 116.55 119.03 2ka0 n ASP 113 Ca 0.13 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.96 2ka0 n ASP 113 Cb 0.60 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 2ka0 n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ka0 n GLY 114 N 0.15 -2.00 1.40 0.44 0.00 -0.96 -4.11 105.19 100.12 2ka0 n GLY 114 Ca 0.00 0.96 0.03 0.00 0.00 0.00 0.00 46.02 47.01 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 0.77 -3.58 1.61 1.02 -1.26 -4.89 120.64 114.32 2ka0 n GLU 115 Ca 0.00 -2.61 -0.18 0.00 -0.02 0.00 0.00 57.16 54.36 2ka0 n GLU 115 Cb 0.00 -0.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 2ka0 n GLU 115 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2ka0 n LYS 116 N -0.11 -1.49 -2.09 3.49 4.81 -1.26 -1.28 118.16 120.24 2ka0 n LYS 116 Ca 0.11 0.98 -0.42 0.00 -0.87 0.00 0.00 58.31 58.11 2ka0 n LYS 116 Cb 0.98 -3.28 -0.03 0.00 0.02 0.00 0.00 35.03 32.72 2ka0 n LYS 116 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2ka0 s VAL 117 N -2.98 3.08 -0.45 3.15 0.11 -0.52 -4.45 120.40 118.34 2ka0 s VAL 117 Ca 0.00 0.77 -0.16 0.00 -2.93 0.00 0.00 61.98 59.66 2ka0 s VAL 117 Cb -0.00 -3.49 0.04 0.00 -1.53 0.00 0.00 36.38 31.40 2ka0 s VAL 117 CO 0.85 0.06 0.40 0.00 -3.33 0.00 0.00 175.10 173.08 2ka0 s ALA 118 N 1.18 3.49 -0.22 1.54 0.00 0.61 -1.54 121.76 126.82 2ka0 s ALA 118 Ca 0.67 -1.82 -0.21 0.00 0.00 0.00 0.00 51.96 50.59 2ka0 s ALA 118 Cb -0.39 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 2ka0 s ALA 118 CO 0.30 -1.65 0.67 0.08 0.00 0.00 0.00 175.76 175.16 2ka0 s VAL 119 N 1.88 4.98 0.27 0.00 1.01 0.74 -1.38 120.40 127.90 2ka0 s VAL 119 Ca 0.07 1.24 0.03 0.00 0.00 0.00 0.00 61.98 63.32 2ka0 s VAL 119 Cb -0.20 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 2ka0 s VAL 119 CO 0.10 0.05 0.18 -0.13 0.00 0.00 0.00 175.10 175.30 2ka0 s ARG 120 N 2.27 1.49 0.00 2.72 0.52 0.39 -1.27 118.95 125.07 2ka0 s ARG 120 Ca 0.29 -1.83 0.27 0.00 -0.52 0.00 0.00 55.73 53.94 2ka0 s ARG 120 Cb -0.16 0.17 1.19 0.00 0.52 0.00 0.00 34.95 36.67 2ka0 s ARG 120 CO 0.09 -0.49 1.88 1.19 0.02 0.00 0.00 175.30 178.00 2ka0 n PHE 121 N -0.47 0.00 -1.28 -0.53 3.72 -1.26 -0.31 117.46 117.32 2ka0 n PHE 121 Ca 0.03 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.61 2ka0 n PHE 121 Cb 0.65 -0.47 -0.05 0.00 -0.94 0.00 0.00 39.48 38.67 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 -1.47 -3.31 -2.46 4.37 0.00 -1.26 -3.16 120.51 113.22 2ka0 n ALA 122 Ca 0.07 0.44 -0.03 0.00 0.00 0.00 0.00 53.44 53.92 2ka0 n ALA 122 Cb 0.31 -1.17 0.06 0.00 0.00 0.00 0.00 19.45 18.65 2ka0 n ALA 122 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ka0 n SER 123 N -3.92 -1.16 -0.83 0.00 7.64 -1.26 -4.96 113.62 109.13 2ka0 n SER 123 Ca 0.00 -2.14 0.13 0.00 1.01 0.00 0.00 58.87 57.87 2ka0 n SER 123 Cb 0.59 0.50 0.21 0.00 -1.01 0.00 0.00 64.21 64.50 2ka0 n SER 123 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83