#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 0.80 -0.10 2.12 0.52 -1.26 -1.15 118.95 119.88 2ka0 s ARG 2 Ca 0.00 1.23 -0.07 0.00 -0.52 0.00 0.00 55.73 56.37 2ka0 s ARG 2 Cb 0.00 -1.72 0.03 0.00 0.52 0.00 0.00 34.95 33.78 2ka0 s ARG 2 CO 0.00 -2.68 0.24 0.08 0.02 0.00 0.00 175.30 172.97 2ka0 s VAL 3 N -2.69 -0.02 -0.04 3.52 1.01 0.19 -4.37 120.40 118.01 2ka0 s VAL 3 Ca 0.66 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.73 2ka0 s VAL 3 Cb -0.22 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 2ka0 s VAL 3 CO 0.59 0.02 -0.11 -0.70 0.00 0.00 0.00 175.10 174.90 2ka0 s GLU 4 N 0.59 2.54 -0.19 2.72 2.12 0.19 -0.28 118.70 126.39 2ka0 s GLU 4 Ca -0.04 -0.68 -0.01 0.00 0.36 0.00 0.00 54.97 54.60 2ka0 s GLU 4 Cb -0.05 -2.44 0.00 0.00 0.26 0.00 0.00 34.13 31.90 2ka0 s GLU 4 CO -0.03 0.63 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.68 2ka0 s LEU 5 N -0.91 2.51 -0.23 2.70 1.43 0.06 -1.22 118.68 123.02 2ka0 s LEU 5 Ca 0.13 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2ka0 s LEU 5 Cb -0.11 -1.60 0.06 0.00 0.03 0.00 0.00 46.19 44.57 2ka0 s LEU 5 CO 0.02 0.01 -0.07 -0.22 0.23 0.00 0.00 176.35 176.32 2ka0 s LEU 6 N 1.28 2.66 0.38 1.79 0.20 -0.00 -0.88 118.68 124.11 2ka0 s LEU 6 Ca 0.04 -1.16 0.08 0.00 0.69 0.00 0.00 54.13 53.77 2ka0 s LEU 6 Cb -0.14 -1.25 -0.03 0.00 -0.43 0.00 0.00 46.19 44.34 2ka0 s LEU 6 CO -0.07 -0.21 0.29 -0.36 -0.29 0.00 0.00 176.35 175.71 2ka0 s PHE 7 N 1.34 2.75 -0.55 5.38 0.40 0.61 -0.47 117.98 127.43 2ka0 s PHE 7 Ca -0.06 -0.43 0.21 0.00 -0.60 0.00 0.00 56.93 56.05 2ka0 s PHE 7 Cb -0.19 -1.96 0.91 0.00 0.51 0.00 0.00 43.02 42.30 2ka0 s PHE 7 CO -0.06 0.08 1.64 0.39 0.70 0.00 0.00 175.22 177.96 2ka0 n GLU 8 N -1.40 0.15 0.00 0.44 1.02 -0.30 -2.85 120.64 117.70 2ka0 n GLU 8 Ca 0.00 0.42 0.02 0.00 -0.02 0.00 0.00 57.16 57.59 2ka0 n GLU 8 Cb 0.61 -1.81 -0.02 0.00 -0.02 0.00 0.00 31.44 30.21 2ka0 n GLU 8 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2ka0 n SER 9 N -2.09 0.27 -0.63 1.62 7.64 -1.26 -5.12 113.62 114.04 2ka0 n SER 9 Ca 0.02 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.26 2ka0 n SER 9 Cb 0.19 0.94 0.00 0.00 -1.01 0.00 0.00 64.21 64.33 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 1.05 0.55 3.56 0.23 0.00 -1.13 -4.95 105.19 104.50 2ka0 n GLY 10 Ca 0.01 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.90 0.74 0.32 1.61 0.00 -1.26 -0.29 119.74 119.96 2ka0 s LYS 11 Ca 0.00 0.22 -0.06 0.00 0.00 0.00 0.00 55.97 56.14 2ka0 s LYS 11 Cb 0.00 0.35 0.00 0.00 0.00 0.00 0.00 37.83 38.18 2ka0 s LYS 11 CO 0.00 -0.22 0.49 0.00 0.00 0.00 0.00 175.35 175.62 2ka0 s VAL 13 N -3.26 0.06 0.07 0.00 1.01 -0.79 -0.76 120.40 116.73 2ka0 s VAL 13 Ca 0.28 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.78 2ka0 s VAL 13 Cb -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 2ka0 s VAL 13 CO 0.17 -0.29 -0.13 0.27 0.00 0.00 0.00 175.10 175.12 2ka0 s ILE 14 N -0.84 1.01 -0.19 2.22 -4.36 0.62 -1.81 121.20 117.84 2ka0 s ILE 14 Ca -0.09 -1.27 -0.02 0.00 -0.26 0.00 0.00 60.65 59.01 2ka0 s ILE 14 Cb -0.06 -0.99 -0.00 0.00 1.25 0.00 0.00 42.46 42.66 2ka0 s ILE 14 CO -0.01 -0.26 -0.10 -0.62 0.24 0.00 0.00 174.94 174.20 2ka0 s ASP 15 N -1.71 3.92 -0.10 4.36 2.15 -0.12 -0.64 116.67 124.53 2ka0 s ASP 15 Ca -0.03 -0.46 0.01 0.00 0.43 0.00 0.00 52.55 52.50 2ka0 s ASP 15 Cb -0.10 -1.64 0.02 0.00 -0.30 0.00 0.00 42.92 40.89 2ka0 s ASP 15 CO 0.02 0.01 -0.12 -0.76 -0.17 0.00 0.00 175.17 174.16 2ka0 s LEU 16 N 1.25 1.51 -0.04 -1.34 1.43 -0.30 -1.37 118.68 119.83 2ka0 s LEU 16 Ca 0.03 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 2ka0 s LEU 16 Cb -0.14 -0.93 -0.05 0.00 0.03 0.00 0.00 46.19 45.10 2ka0 s LEU 16 CO -0.05 -0.03 1.54 0.21 0.23 0.00 0.00 176.35 178.26 2ka0 s ASN 17 N 1.18 6.74 0.00 2.29 2.47 -1.23 -0.34 114.94 126.05 2ka0 s ASN 17 Ca -0.04 2.18 0.00 0.00 0.42 0.00 0.00 52.86 55.41 2ka0 s ASN 17 Cb -0.14 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 2ka0 s ASN 17 CO -0.03 -0.85 0.94 -0.62 -3.72 0.00 0.00 177.10 172.82 2ka0 n GLU 18 N 6.41 0.72 0.00 0.43 1.02 -1.26 -3.57 120.64 124.38 2ka0 n GLU 18 Ca 0.16 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.39 2ka0 n GLU 18 Cb 0.43 -1.14 -0.09 0.00 -0.02 0.00 0.00 31.44 30.62 2ka0 n GLU 18 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2ka0 n GLU 19 N 0.94 0.64 -4.43 3.49 0.28 -1.26 -4.89 120.64 115.41 2ka0 n GLU 19 Ca 0.00 -0.16 -0.35 0.00 -0.16 0.00 0.00 57.16 56.49 2ka0 n GLU 19 Cb 0.36 -1.43 -0.10 0.00 1.43 0.00 0.00 31.44 31.70 2ka0 n GLU 19 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2ka0 s TYR 20 N -2.77 3.09 0.17 -1.84 2.02 -1.23 -5.03 117.35 111.75 2ka0 s TYR 20 Ca 0.09 0.10 -0.19 0.00 -0.37 0.00 0.00 57.07 56.70 2ka0 s TYR 20 Cb 0.15 -1.79 0.09 0.00 -0.40 0.00 0.00 41.96 40.00 2ka0 s TYR 20 CO 0.76 0.38 1.65 1.49 -1.57 0.00 0.00 175.55 178.26 2ka0 h GLU 21 N 5.38 -0.08 -0.20 -0.62 4.81 -1.93 -0.97 114.58 120.96 2ka0 h GLU 21 Ca -0.48 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.82 2ka0 h GLU 21 Cb 1.19 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2ka0 h GLU 21 CO 0.55 -0.06 0.20 -0.24 -0.73 0.00 0.00 179.01 178.74 2ka0 h VAL 22 N -0.09 0.55 0.07 0.32 3.04 -1.96 -0.46 116.25 117.72 2ka0 h VAL 22 Ca 0.19 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.77 2ka0 h VAL 22 Cb 0.37 0.84 0.01 0.00 -2.01 0.00 0.00 31.29 30.50 2ka0 h VAL 22 CO -0.43 0.00 -0.46 0.58 -1.01 0.00 0.00 177.57 176.25 2ka0 h VAL 23 N 0.00 1.61 -0.72 1.51 2.07 -1.51 -0.03 116.25 119.18 2ka0 h VAL 23 Ca 0.10 -2.43 0.03 0.00 0.82 0.00 0.00 66.70 65.22 2ka0 h VAL 23 Cb 0.50 3.24 -0.04 0.00 -1.52 0.00 0.00 31.29 33.47 2ka0 h VAL 23 CO -0.00 0.65 0.47 0.11 0.02 0.00 0.00 177.57 178.82 2ka0 h LYS 24 N -0.70 0.86 0.00 1.57 1.57 -1.21 -1.58 116.57 117.07 2ka0 h LYS 24 Ca -0.09 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 2ka0 h LYS 24 Cb 1.32 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 2ka0 h LYS 24 CO 0.06 0.57 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.35 2ka0 h LEU 25 N 0.88 0.00 -0.62 2.94 3.38 -1.09 -2.98 115.31 117.82 2ka0 h LEU 25 Ca 0.28 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.11 2ka0 h LEU 25 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2ka0 h LEU 25 CO -0.08 0.08 -0.69 0.25 0.09 0.00 0.00 178.44 178.10 2ka0 h LEU 26 N 0.00 0.03 -2.62 1.67 6.46 -0.04 -3.24 115.31 117.57 2ka0 h LEU 26 Ca -0.00 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2ka0 h LEU 26 Cb 0.98 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.91 2ka0 h LEU 26 CO 0.01 0.71 0.01 0.50 -0.62 0.00 0.00 178.44 179.05 2ka0 h LYS 27 N 0.02 0.00 0.00 1.25 3.64 -1.23 0.63 116.57 120.87 2ka0 h LYS 27 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2ka0 h LYS 27 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2ka0 h LYS 27 CO 0.09 0.00 0.00 0.93 -2.27 0.00 0.00 179.45 178.20 2ka0 h GLU 28 N 0.00 0.00 -0.51 1.90 4.39 -1.71 -3.33 114.58 115.32 2ka0 h GLU 28 Ca 0.00 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.36 2ka0 h GLU 28 Cb 0.03 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.28 2ka0 h GLU 28 CO -0.00 0.00 -0.98 1.63 -1.16 0.00 0.00 179.01 178.50 2ka0 n LYS 29 N -2.53 2.34 -4.05 2.33 4.76 0.21 -5.04 118.16 116.18 2ka0 n LYS 29 Ca 0.02 -3.67 -0.14 0.00 -2.87 0.00 0.00 58.31 51.65 2ka0 n LYS 29 Cb 0.26 -1.78 -0.14 0.00 -1.84 0.00 0.00 35.03 31.54 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 -3.88 0.29 0.73 -0.18 1.01 -1.22 -4.05 121.20 113.89 2ka0 s ILE 30 Ca 0.37 -0.32 -0.14 0.00 0.00 0.00 0.00 60.65 60.56 2ka0 s ILE 30 Cb 0.36 -0.28 0.04 0.00 0.01 0.00 0.00 42.46 42.59 2ka0 s ILE 30 CO -0.02 -0.02 1.18 -2.16 0.00 0.00 0.00 174.94 173.92 2ka0 s PRO 31 N -0.37 2.17 0.09 2.79 0.04 -1.26 -5.03 135.00 133.43 2ka0 s PRO 31 Ca -0.01 1.66 -0.07 0.00 0.04 0.00 0.00 61.00 62.62 2ka0 s PRO 31 Cb -0.03 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 2ka0 s PRO 31 CO -0.00 -1.79 0.14 -0.59 0.04 0.00 0.00 177.00 174.81 2ka0 s PHE 32 N -2.12 0.30 0.09 0.56 -0.71 -0.55 -4.99 117.98 110.55 2ka0 s PHE 32 Ca 0.72 -0.75 0.08 0.00 -1.04 0.00 0.00 56.93 55.94 2ka0 s PHE 32 Cb -0.27 -0.16 -0.03 0.00 -1.21 0.00 0.00 43.02 41.35 2ka0 s PHE 32 CO 0.46 -0.53 -0.20 -1.21 -1.34 0.00 0.00 175.22 172.41 2ka0 s GLU 33 N -3.90 1.12 0.23 1.99 8.01 -1.26 -0.10 118.70 124.78 2ka0 s GLU 33 Ca 0.08 -1.08 -0.22 0.00 0.01 0.00 0.00 54.97 53.76 2ka0 s GLU 33 Cb 0.06 -1.31 0.04 0.00 -4.31 0.00 0.00 34.13 28.60 2ka0 s GLU 33 CO -0.09 0.31 0.66 0.45 0.01 0.00 0.00 175.26 176.60 2ka0 s SER 34 N -1.74 -0.39 -0.01 -0.19 0.15 -0.30 -4.99 113.70 106.23 2ka0 s SER 34 Ca 0.05 -0.35 -0.23 0.00 0.70 0.00 0.00 55.95 56.12 2ka0 s SER 34 Cb -0.10 0.67 -0.05 0.00 -1.71 0.00 0.00 66.02 64.83 2ka0 s SER 34 CO 0.03 -1.18 0.69 -0.69 1.20 0.00 0.00 173.24 173.30 2ka0 s VAL 35 N -3.85 4.90 -1.39 4.45 1.01 -1.26 -0.76 120.40 123.50 2ka0 s VAL 35 Ca 0.07 1.45 -0.14 0.00 0.00 0.00 0.00 61.98 63.36 2ka0 s VAL 35 Cb -0.04 -4.04 0.07 0.00 0.00 0.00 0.00 36.38 32.38 2ka0 s VAL 35 CO -0.02 0.34 2.03 0.52 0.00 0.00 0.00 175.10 177.97 2ka0 n VAL 36 N 3.14 3.73 -2.09 2.92 0.31 -1.26 -4.25 118.33 120.83 2ka0 n VAL 36 Ca -0.03 -3.54 -0.35 0.00 -0.01 0.00 0.00 64.34 60.41 2ka0 n VAL 36 Cb 0.51 -2.51 0.02 0.00 -0.91 0.00 0.00 33.84 30.95 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 3.06 5.43 0.15 4.52 0.01 -0.78 -3.22 114.94 124.12 2ka0 s ASN 37 Ca 0.47 2.21 0.06 0.00 -0.71 0.00 0.00 52.86 54.89 2ka0 s ASN 37 Cb 0.10 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 2ka0 s ASN 37 CO -0.03 -1.42 -0.13 0.42 -1.51 0.00 0.00 177.10 174.43 2ka0 s THR 38 N -1.83 1.39 -0.40 1.60 -4.23 -1.26 -1.45 115.64 109.46 2ka0 s THR 38 Ca 0.73 -1.97 0.06 0.00 -1.18 0.00 0.00 61.69 59.34 2ka0 s THR 38 Cb -0.25 -1.78 0.17 0.00 1.34 0.00 0.00 72.50 71.98 2ka0 s THR 38 CO 0.31 -0.57 0.55 0.86 -0.54 0.00 0.00 174.62 175.23 2ka0 s TRP 39 N -2.76 -1.25 -0.65 3.99 -0.00 -0.40 -4.97 118.94 112.90 2ka0 s TRP 39 Ca 0.15 -0.13 -0.14 0.00 -0.00 0.00 0.00 56.10 55.98 2ka0 s TRP 39 Cb -0.01 0.08 0.02 0.00 -0.00 0.00 0.00 33.47 33.55 2ka0 s TRP 39 CO 0.03 -1.11 0.64 0.41 -0.00 0.00 0.00 176.95 176.92 2ka0 n GLY 40 N 4.32 -0.84 2.26 5.86 0.00 -1.26 -2.41 105.19 113.12 2ka0 n GLY 40 Ca 0.11 0.84 -0.12 0.00 0.00 0.00 0.00 46.02 46.86 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 -1.45 -0.88 -4.10 1.61 4.71 -1.26 -3.90 120.64 115.37 2ka0 n GLU 41 Ca -0.15 0.68 -0.13 0.00 -0.01 0.00 0.00 57.16 57.56 2ka0 n GLU 41 Cb 0.63 -4.77 -0.11 0.00 -1.01 0.00 0.00 31.44 26.18 2ka0 n GLU 41 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2ka0 s GLU 42 N -4.01 0.62 -0.03 3.49 2.12 -1.01 -2.31 118.70 117.58 2ka0 s GLU 42 Ca 0.00 -0.90 0.02 0.00 0.36 0.00 0.00 54.97 54.45 2ka0 s GLU 42 Cb 0.00 -0.33 0.01 0.00 0.26 0.00 0.00 34.13 34.06 2ka0 s GLU 42 CO 0.00 0.05 -0.07 0.42 -0.54 0.00 0.00 175.26 175.12 2ka0 s ILE 43 N -1.82 0.64 0.05 -3.70 1.01 -1.08 -1.28 121.20 115.02 2ka0 s ILE 43 Ca -0.05 -0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.23 2ka0 s ILE 43 Cb -0.07 -0.59 0.01 0.00 0.01 0.00 0.00 42.46 41.82 2ka0 s ILE 43 CO -0.00 0.21 0.23 -0.72 0.00 0.00 0.00 174.94 174.66 2ka0 s TYR 44 N 0.32 0.02 0.01 3.97 1.13 -0.53 -1.25 117.35 121.02 2ka0 s TYR 44 Ca -0.04 -0.24 -0.00 0.00 -1.41 0.00 0.00 57.07 55.38 2ka0 s TYR 44 Cb -0.09 0.01 -0.01 0.00 -1.10 0.00 0.00 41.96 40.77 2ka0 s TYR 44 CO 0.00 -0.46 -0.01 -0.59 -2.51 0.00 0.00 175.55 171.98 2ka0 s PHE 45 N -2.70 0.15 -1.26 -3.49 -0.71 -1.26 -1.86 117.98 106.85 2ka0 s PHE 45 Ca -0.04 -0.31 -0.15 0.00 -1.04 0.00 0.00 56.93 55.39 2ka0 s PHE 45 Cb -0.00 -0.11 0.13 0.00 -1.21 0.00 0.00 43.02 41.82 2ka0 s PHE 45 CO -0.04 -0.12 1.62 0.43 -1.34 0.00 0.00 175.22 175.77 2ka0 n SER 46 N 2.15 5.04 -4.67 1.98 7.64 -1.26 -1.74 113.62 122.76 2ka0 n SER 46 Ca -0.19 -2.96 -0.38 0.00 1.01 0.00 0.00 58.87 56.34 2ka0 n SER 46 Cb 0.57 -1.63 0.05 0.00 -1.01 0.00 0.00 64.21 62.18 2ka0 n SER 46 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2ka0 n THR 47 N 5.16 3.76 0.46 0.44 -2.24 -1.19 -4.91 114.28 115.76 2ka0 n THR 47 Ca 0.42 -0.50 0.13 0.00 -2.27 0.00 0.00 64.05 61.83 2ka0 n THR 47 Cb 0.43 -1.36 0.45 0.00 -2.10 0.00 0.00 70.33 67.76 2ka0 n THR 47 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2ka0 h PRO 48 N 0.92 0.00 -7.01 -0.78 0.13 -1.93 -3.45 132.00 119.88 2ka0 h PRO 48 Ca -0.49 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.17 2ka0 h PRO 48 Cb 1.34 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.48 2ka0 h PRO 48 CO 0.54 0.00 0.38 0.08 -0.23 0.00 0.00 178.00 178.77 2ka0 s VAL 49 N -3.26 3.92 -0.32 1.56 1.01 -1.26 -5.05 120.40 116.99 2ka0 s VAL 49 Ca 0.07 1.33 0.01 0.00 0.00 0.00 0.00 61.98 63.38 2ka0 s VAL 49 Cb 0.10 -3.61 0.10 0.00 0.00 0.00 0.00 36.38 32.97 2ka0 s VAL 49 CO 0.51 -0.13 0.08 0.21 0.00 0.00 0.00 175.10 175.77 2ka0 s ASN 50 N -1.83 4.30 0.07 3.32 3.04 -1.26 -4.91 114.94 117.66 2ka0 s ASN 50 Ca 0.61 -1.86 0.03 0.00 0.04 0.00 0.00 52.86 51.68 2ka0 s ASN 50 Cb -0.17 -1.15 -0.03 0.00 -1.54 0.00 0.00 41.25 38.35 2ka0 s ASN 50 CO 0.22 -0.40 -0.08 -0.69 -3.04 0.00 0.00 177.10 173.10 2ka0 s VAL 51 N 1.32 0.68 0.00 -5.21 1.01 -1.26 -5.07 120.40 111.87 2ka0 s VAL 51 Ca 0.10 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.71 2ka0 s VAL 51 Cb -0.18 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.20 2ka0 s VAL 51 CO -0.18 -0.51 0.25 0.00 0.00 0.00 0.00 175.10 174.65 2ka0 n GLN 52 N 0.97 -0.29 -2.61 2.72 6.02 -1.26 -4.60 117.38 118.33 2ka0 n GLN 52 Ca -0.19 -0.26 -0.43 0.00 -0.01 0.00 0.00 57.00 56.11 2ka0 n GLN 52 Cb 0.56 -0.71 -0.02 0.00 1.02 0.00 0.00 30.24 31.10 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 -0.03 4.27 -0.10 -1.09 2.20 -1.26 -4.97 119.74 118.76 2ka0 s LYS 53 Ca 0.00 1.43 -0.13 0.00 -0.36 0.00 0.00 55.97 56.91 2ka0 s LYS 53 Cb 0.00 -3.66 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 2ka0 s LYS 53 CO 0.00 -0.62 0.30 -1.64 -0.36 0.00 0.00 175.35 173.04 2ka0 s MET 54 N 3.14 3.97 -0.12 4.03 -1.94 -1.26 -4.88 119.30 122.25 2ka0 s MET 54 Ca 0.47 0.16 0.17 0.00 -1.71 0.00 0.00 55.69 54.78 2ka0 s MET 54 Cb -0.17 -3.31 -0.24 0.00 2.01 0.00 0.00 34.83 33.12 2ka0 s MET 54 CO 0.09 0.50 0.33 0.39 -0.01 0.00 0.00 175.02 176.32 2ka0 n GLU 55 N 2.66 0.67 -3.06 2.03 -0.58 -1.26 -4.78 120.64 116.31 2ka0 n GLU 55 Ca -0.14 0.06 -0.19 0.00 -0.42 0.00 0.00 57.16 56.47 2ka0 n GLU 55 Cb 0.53 -1.61 -0.04 0.00 -0.57 0.00 0.00 31.44 29.75 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 -2.77 -0.91 -4.74 1.62 5.15 -1.26 -5.11 115.26 107.22 2ka0 n ASN 56 Ca -0.24 -2.85 -0.41 0.00 -0.60 0.00 0.00 54.58 50.48 2ka0 n ASN 56 Cb 1.03 0.17 -0.02 0.00 -0.53 0.00 0.00 39.78 40.43 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 -0.45 4.28 0.37 1.20 0.04 -1.26 -2.78 135.00 136.40 2ka0 s PRO 57 Ca 0.34 2.27 0.04 0.00 0.04 0.00 0.00 61.00 63.68 2ka0 s PRO 57 Cb 0.17 -3.12 0.04 0.00 0.04 0.00 0.00 34.50 31.63 2ka0 s PRO 57 CO -0.16 -0.39 0.30 0.54 0.04 0.00 0.00 177.00 177.33 2ka0 n ARG 58 N 2.34 0.93 0.00 4.56 5.12 -0.52 -4.95 116.66 124.15 2ka0 n ARG 58 Ca 0.07 -2.27 0.00 0.00 -1.93 0.00 0.00 57.85 53.71 2ka0 n ARG 58 Cb 0.41 0.21 0.00 0.00 -1.16 0.00 0.00 32.46 31.91 2ka0 n ARG 58 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2ka0 n GLU 59 N -1.41 1.13 -3.50 5.56 1.02 -1.26 -3.76 120.64 118.43 2ka0 n GLU 59 Ca -0.00 -0.88 -0.15 0.00 -0.02 0.00 0.00 57.16 56.10 2ka0 n GLU 59 Cb 0.42 -0.81 -0.05 0.00 -0.02 0.00 0.00 31.44 30.98 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 -0.44 0.00 0.23 2.62 0.11 -1.26 -4.18 120.40 117.49 2ka0 s VAL 60 Ca 0.00 -0.04 -0.05 0.00 -2.93 0.00 0.00 61.98 58.96 2ka0 s VAL 60 Cb 0.00 -0.99 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 2ka0 s VAL 60 CO 0.00 -0.02 0.30 0.68 -3.33 0.00 0.00 175.10 172.72 2ka0 s VAL 61 N -2.17 0.00 0.56 2.04 -7.23 -0.77 -4.98 120.40 107.84 2ka0 s VAL 61 Ca -0.06 -1.74 -0.07 0.00 -1.81 0.00 0.00 61.98 58.29 2ka0 s VAL 61 Cb -0.00 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 2ka0 s VAL 61 CO 0.01 0.00 0.90 -1.61 -0.31 0.00 0.00 175.10 174.09 2ka0 s GLU 62 N -4.00 3.40 -1.33 4.82 2.02 -1.26 -4.56 118.70 117.79 2ka0 s GLU 62 Ca 0.32 0.35 -0.17 0.00 0.02 0.00 0.00 54.97 55.49 2ka0 s GLU 62 Cb 0.03 -2.24 0.03 0.00 0.10 0.00 0.00 34.13 32.05 2ka0 s GLU 62 CO 0.12 -0.46 2.01 -0.89 0.02 0.00 0.00 175.26 176.06 2ka0 n ILE 63 N -2.52 3.42 0.00 -1.63 5.41 -1.26 -2.45 119.36 120.32 2ka0 n ILE 63 Ca 0.03 -3.25 0.00 0.00 1.00 0.00 0.00 62.75 60.54 2ka0 n ILE 63 Cb 0.55 -2.47 0.00 0.00 -0.71 0.00 0.00 39.64 37.02 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 4.71 -0.17 3.82 7.39 0.00 -1.21 -4.97 105.19 114.77 2ka0 n GLY 64 Ca 0.50 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 4.62 -0.03 1.61 1.01 -1.03 -1.02 116.67 121.83 2ka0 s ASP 65 Ca 0.00 -1.08 0.01 0.00 0.71 0.00 0.00 52.55 52.19 2ka0 s ASP 65 Cb 0.00 -0.18 0.02 0.00 1.01 0.00 0.00 42.92 43.77 2ka0 s ASP 65 CO 0.00 -0.76 -0.01 -0.69 0.21 0.00 0.00 175.17 173.93 2ka0 s VAL 66 N -2.64 0.21 0.26 -1.27 1.01 -0.73 -3.86 120.40 113.38 2ka0 s VAL 66 Ca 0.39 0.05 0.11 0.00 0.00 0.00 0.00 61.98 62.53 2ka0 s VAL 66 Cb 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 2ka0 s VAL 66 CO 0.22 0.14 -0.17 -0.83 0.00 0.00 0.00 175.10 174.47 2ka0 s GLY 67 N 0.88 1.82 -0.13 4.51 0.00 -1.08 -2.63 107.32 110.70 2ka0 s GLY 67 Ca -0.09 -1.79 -0.04 0.00 0.00 0.00 0.00 44.72 42.80 2ka0 s GLY 67 CO -0.01 -1.86 0.03 -0.19 0.00 0.00 0.00 173.10 171.06 2ka0 s TYR 68 N -2.32 3.21 -0.82 1.90 1.51 -1.25 -1.24 117.35 118.34 2ka0 s TYR 68 Ca 0.29 0.12 -0.09 0.00 -1.01 0.00 0.00 57.07 56.38 2ka0 s TYR 68 Cb -0.06 -1.91 0.21 0.00 -0.11 0.00 0.00 41.96 40.10 2ka0 s TYR 68 CO 0.15 0.34 0.72 -0.46 -1.11 0.00 0.00 175.55 175.19 2ka0 s TRP 69 N -0.38 3.74 0.19 2.71 -0.00 0.36 -4.02 118.94 121.53 2ka0 s TRP 69 Ca 0.08 -2.42 -0.10 0.00 -0.00 0.00 0.00 56.10 53.66 2ka0 s TRP 69 Cb -0.12 -3.58 0.11 0.00 -0.00 0.00 0.00 33.47 29.88 2ka0 s TRP 69 CO 0.02 -0.91 1.75 -1.00 -0.00 0.00 0.00 176.95 176.81 2ka0 h PRO 70 N 7.20 1.01 0.00 5.86 0.13 -1.81 -0.49 132.00 143.91 2ka0 h PRO 70 Ca 0.09 -0.18 -0.10 0.00 -0.87 0.00 0.00 66.00 64.93 2ka0 h PRO 70 Cb 0.97 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 2ka0 h PRO 70 CO 0.78 0.84 -0.49 -1.00 -0.23 0.00 0.00 178.00 177.90 2ka0 h PRO 71 N 0.96 0.00 0.00 1.56 0.13 -1.93 -2.35 132.00 130.36 2ka0 h PRO 71 Ca 0.23 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.36 2ka0 h PRO 71 Cb 0.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.33 2ka0 h PRO 71 CO -0.02 0.49 -0.30 0.41 -0.23 0.00 0.00 178.00 178.35 2ka0 n GLY 72 N 0.44 5.02 3.81 1.56 0.00 -1.25 -5.05 105.19 109.71 2ka0 n GLY 72 Ca -0.00 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.24 -1.07 -4.14 1.61 5.02 -0.63 -4.96 118.16 112.75 2ka0 n LYS 73 Ca 0.18 0.56 -0.15 0.00 -2.02 0.00 0.00 58.31 56.88 2ka0 n LYS 73 Cb 0.67 -2.89 -0.06 0.00 -0.02 0.00 0.00 35.03 32.73 2ka0 n LYS 73 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ka0 s ALA 74 N -3.22 0.99 0.49 7.82 0.00 -0.29 -3.15 121.76 124.40 2ka0 s ALA 74 Ca 0.22 -1.62 0.06 0.00 0.00 0.00 0.00 51.96 50.62 2ka0 s ALA 74 Cb -0.11 1.25 0.08 0.00 0.00 0.00 0.00 23.12 24.34 2ka0 s ALA 74 CO 0.90 -0.75 0.64 -0.11 0.00 0.00 0.00 175.76 176.45 2ka0 n LEU 75 N -0.54 0.00 -3.70 0.00 7.94 -0.71 -0.49 117.00 119.50 2ka0 n LEU 75 Ca 0.02 -1.85 -0.14 0.00 -1.11 0.00 0.00 56.01 52.94 2ka0 n LEU 75 Cb 0.62 -0.36 -0.08 0.00 0.53 0.00 0.00 43.42 44.13 2ka0 n LEU 75 CO 0.30 -0.71 0.15 0.00 -1.11 0.00 0.00 177.39 176.02 2ka0 s LEU 77 N -0.68 2.62 -0.29 0.00 1.02 -0.38 -2.62 118.68 118.35 2ka0 s LEU 77 Ca -0.08 -0.46 -0.05 0.00 0.02 0.00 0.00 54.13 53.56 2ka0 s LEU 77 Cb -0.03 -1.63 0.02 0.00 0.02 0.00 0.00 46.19 44.56 2ka0 s LEU 77 CO 0.04 0.02 0.05 -0.36 0.02 0.00 0.00 176.35 176.11 2ka0 s PHE 78 N 1.22 3.16 -0.16 0.29 0.08 -1.25 -2.62 117.98 118.69 2ka0 s PHE 78 Ca 0.02 -1.26 0.22 0.00 0.12 0.00 0.00 56.93 56.03 2ka0 s PHE 78 Cb -0.14 -2.20 0.47 0.00 -0.57 0.00 0.00 43.02 40.58 2ka0 s PHE 78 CO -0.04 -0.66 1.15 1.97 -0.10 0.00 0.00 175.22 177.54 2ka0 n PHE 79 N 4.79 0.84 0.00 0.36 -1.74 -0.98 -3.31 117.46 117.43 2ka0 n PHE 79 Ca -0.14 -1.50 0.00 0.00 -0.56 0.00 0.00 57.45 55.25 2ka0 n PHE 79 Cb 0.47 -0.21 0.00 0.00 1.52 0.00 0.00 39.48 41.25 2ka0 n PHE 79 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2ka0 n GLY 80 N -0.25 1.85 0.00 4.97 0.00 -1.24 -4.96 105.19 105.57 2ka0 n GLY 80 Ca 0.11 0.22 0.05 0.00 0.00 0.00 0.00 46.02 46.40 2ka0 n GLY 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ka0 n LYS 81 N 0.00 2.01 -1.34 1.61 4.81 -1.26 -4.84 118.16 119.16 2ka0 n LYS 81 Ca 0.00 -0.05 0.16 0.00 -0.87 0.00 0.00 58.31 57.55 2ka0 n LYS 81 Cb 0.00 -1.10 -0.07 0.00 0.02 0.00 0.00 35.03 33.88 2ka0 n LYS 81 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2ka0 n THR 82 N -1.54 -0.38 0.10 3.15 -2.24 -1.26 -4.59 114.28 107.53 2ka0 n THR 82 Ca -0.00 0.61 -0.03 0.00 -2.27 0.00 0.00 64.05 62.37 2ka0 n THR 82 Cb 0.21 -1.04 0.01 0.00 -2.10 0.00 0.00 70.33 67.41 2ka0 n THR 82 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2ka0 h PRO 83 N -1.38 0.00 -3.26 -0.78 0.13 -1.86 -3.36 132.00 121.50 2ka0 h PRO 83 Ca -0.12 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 64.23 2ka0 h PRO 83 Cb 1.28 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.20 2ka0 h PRO 83 CO 0.05 0.76 1.43 -1.33 -0.23 0.00 0.00 178.00 178.67 2ka0 n MET 84 N -3.42 4.01 -3.90 0.86 2.81 -1.26 -4.90 117.12 111.33 2ka0 n MET 84 Ca 0.00 -4.02 -0.08 0.00 -1.81 0.00 0.00 57.70 51.79 2ka0 n MET 84 Cb 0.79 -2.73 -0.02 0.00 -0.71 0.00 0.00 33.22 30.55 2ka0 n MET 84 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2ka0 s SER 85 N -0.31 -0.14 0.00 7.83 1.04 -1.26 -4.28 113.70 116.59 2ka0 s SER 85 Ca 0.36 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.99 2ka0 s SER 85 Cb 0.07 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.90 2ka0 s SER 85 CO 0.05 -1.34 0.00 -0.67 0.98 0.00 0.00 173.24 172.26 2ka0 n ASP 86 N -0.60 0.00 0.01 7.02 -0.08 -1.26 -4.95 116.55 116.68 2ka0 n ASP 86 Ca -0.04 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.18 2ka0 n ASP 86 Cb 0.60 0.06 -0.05 0.00 2.34 0.00 0.00 41.12 44.07 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 -0.11 -5.13 1.67 3.32 -1.98 -3.50 116.42 110.68 2ka0 h ASP 87 Ca 0.00 -0.26 -0.08 0.00 0.02 0.00 0.00 57.03 56.71 2ka0 h ASP 87 Cb 0.00 0.03 -0.14 0.00 0.22 0.00 0.00 39.33 39.44 2ka0 h ASP 87 CO 0.00 0.48 -0.28 -1.59 -1.72 0.00 0.00 179.24 176.13 2ka0 s LYS 88 N -2.37 0.91 -1.25 3.56 -2.85 -1.26 -5.07 119.74 111.42 2ka0 s LYS 88 Ca -0.08 -0.88 -0.18 0.00 -1.00 0.00 0.00 55.97 53.83 2ka0 s LYS 88 Cb -0.00 0.38 -0.00 0.00 -2.06 0.00 0.00 37.83 36.15 2ka0 s LYS 88 CO 0.27 -0.31 1.94 -0.89 0.10 0.00 0.00 175.35 176.46 2ka0 n ILE 89 N -0.11 3.12 -2.54 3.79 -0.00 -1.26 -4.65 119.36 117.71 2ka0 n ILE 89 Ca -0.15 -3.04 -0.38 0.00 -0.00 0.00 0.00 62.75 59.18 2ka0 n ILE 89 Cb 0.63 -2.38 -0.04 0.00 -0.00 0.00 0.00 39.64 37.84 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 4.48 4.33 0.59 0.38 -0.21 -1.26 -1.86 119.66 126.11 2ka0 s GLN 90 Ca 0.55 1.58 -0.08 0.00 0.02 0.00 0.00 55.36 57.44 2ka0 s GLN 90 Cb 0.07 -2.75 0.13 0.00 1.00 0.00 0.00 33.01 31.46 2ka0 s GLN 90 CO 0.05 -0.00 0.80 -0.35 -2.12 0.00 0.00 175.29 173.67 2ka0 n PRO 91 N 0.35 -0.55 -0.12 2.91 -0.04 -1.26 -4.67 135.00 131.62 2ka0 n PRO 91 Ca 0.03 -1.47 0.03 0.00 -0.04 0.00 0.00 63.50 62.05 2ka0 n PRO 91 Cb 0.48 -0.75 0.34 0.00 -0.04 0.00 0.00 33.50 33.53 2ka0 n PRO 91 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ka0 h ALA 92 N -1.47 1.62 -2.53 0.55 0.00 -1.97 -3.47 119.26 111.98 2ka0 h ALA 92 Ca -0.26 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 54.76 2ka0 h ALA 92 Cb 0.78 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 2ka0 h ALA 92 CO 0.21 0.34 0.41 0.45 0.00 0.00 0.00 179.25 180.66 2ka0 s SER 93 N -6.46 -0.20 -0.55 0.00 0.15 -1.26 -5.10 113.70 100.29 2ka0 s SER 93 Ca -0.10 -0.47 -0.29 0.00 0.70 0.00 0.00 55.95 55.80 2ka0 s SER 93 Cb 0.18 0.56 -0.11 0.00 -1.71 0.00 0.00 66.02 64.94 2ka0 s SER 93 CO 0.76 -1.03 2.42 0.00 1.20 0.00 0.00 173.24 176.59 2ka0 n ALA 94 N -0.47 0.82 -2.87 5.45 0.00 -1.26 -4.94 120.51 117.24 2ka0 n ALA 94 Ca -0.05 -0.61 -0.28 0.00 0.00 0.00 0.00 53.44 52.49 2ka0 n ALA 94 Cb 0.60 -2.89 -0.05 0.00 0.00 0.00 0.00 19.45 17.11 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 10.49 4.98 0.90 0.00 -7.23 -1.25 -4.85 120.40 123.44 2ka0 s VAL 95 Ca 1.08 -0.72 -0.12 0.00 -1.81 0.00 0.00 61.98 60.41 2ka0 s VAL 95 Cb -0.51 -3.49 0.13 0.00 0.56 0.00 0.00 36.38 33.06 2ka0 s VAL 95 CO 0.35 0.01 1.12 0.54 -0.31 0.00 0.00 175.10 176.81 2ka0 s ASN 96 N -2.84 3.58 -0.35 4.85 2.20 -1.26 -1.44 114.94 119.68 2ka0 s ASN 96 Ca 0.33 1.07 0.06 0.00 -0.94 0.00 0.00 52.86 53.38 2ka0 s ASN 96 Cb -0.12 -1.69 0.44 0.00 -2.00 0.00 0.00 41.25 37.89 2ka0 s ASN 96 CO 0.26 -2.52 1.16 0.52 -2.94 0.00 0.00 177.10 173.57 2ka0 n VAL 97 N -3.76 2.45 0.33 3.54 0.31 -1.12 -3.91 118.33 116.18 2ka0 n VAL 97 Ca 0.06 -4.51 0.15 0.00 -0.01 0.00 0.00 64.34 60.03 2ka0 n VAL 97 Cb 0.58 -1.18 0.54 0.00 -0.91 0.00 0.00 33.84 32.88 2ka0 n VAL 97 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 2ka0 h ILE 98 N 2.37 0.00 -2.28 2.52 3.07 -1.87 -3.45 117.51 117.87 2ka0 h ILE 98 Ca 0.34 -0.50 -0.58 0.00 1.55 0.00 0.00 64.86 65.67 2ka0 h ILE 98 Cb 1.28 1.42 -0.12 0.00 -0.27 0.00 0.00 36.82 39.13 2ka0 h ILE 98 CO 0.79 0.00 -0.69 -0.83 -1.05 0.00 0.00 178.15 176.37 2ka0 s GLY 99 N -3.96 1.74 0.02 0.16 0.00 -1.08 -3.48 107.32 100.72 2ka0 s GLY 99 Ca 0.04 -1.72 0.04 0.00 0.00 0.00 0.00 44.72 43.08 2ka0 s GLY 99 CO 0.52 -1.79 -0.13 1.25 0.00 0.00 0.00 173.10 172.95 2ka0 s LYS 100 N -3.54 0.97 -0.56 2.90 2.47 -0.47 -1.78 119.74 119.74 2ka0 s LYS 100 Ca 0.30 -0.61 -0.28 0.00 -1.56 0.00 0.00 55.97 53.82 2ka0 s LYS 100 Cb -0.06 -0.95 0.02 0.00 -1.46 0.00 0.00 37.83 35.38 2ka0 s LYS 100 CO 0.18 0.25 1.32 0.42 0.16 0.00 0.00 175.35 177.67 2ka0 s ILE 101 N -0.60 3.89 -0.17 5.43 1.01 -0.19 -0.94 121.20 129.63 2ka0 s ILE 101 Ca 0.03 0.79 0.16 0.00 0.00 0.00 0.00 60.65 61.63 2ka0 s ILE 101 Cb -0.06 -4.55 -0.23 0.00 0.01 0.00 0.00 42.46 37.63 2ka0 s ILE 101 CO 0.00 -1.22 0.08 0.55 0.00 0.00 0.00 174.94 174.36 2ka0 n VAL 102 N 6.79 1.19 -4.08 2.92 3.14 -0.75 -4.81 118.33 122.73 2ka0 n VAL 102 Ca 0.11 -0.75 -0.09 0.00 -2.96 0.00 0.00 64.34 60.65 2ka0 n VAL 102 Cb 0.49 -0.49 -0.09 0.00 -1.06 0.00 0.00 33.84 32.68 2ka0 n VAL 102 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2ka0 s GLU 103 N -2.48 0.87 -0.39 1.45 2.02 -0.85 -5.01 118.70 114.31 2ka0 s GLU 103 Ca -0.09 -1.31 -0.01 0.00 0.02 0.00 0.00 54.97 53.58 2ka0 s GLU 103 Cb 0.06 0.26 -0.02 0.00 0.10 0.00 0.00 34.13 34.53 2ka0 s GLU 103 CO 0.74 -0.24 0.35 0.41 0.02 0.00 0.00 175.26 176.54 2ka0 n GLY 104 N -0.05 -0.32 0.12 -1.39 0.00 -1.26 -1.89 105.19 100.40 2ka0 n GLY 104 Ca -0.09 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.82 2.21 0.20 0.99 7.94 -1.26 -4.65 117.00 120.61 2ka0 n LEU 105 Ca -0.02 0.30 0.10 0.00 -1.11 0.00 0.00 56.01 55.29 2ka0 n LEU 105 Cb 0.53 -1.00 0.15 0.00 0.53 0.00 0.00 43.42 43.62 2ka0 n LEU 105 CO 0.24 0.55 0.75 -0.33 -1.11 0.00 0.00 177.39 177.49 2ka0 h GLU 106 N -0.57 0.00 0.00 1.96 5.08 -1.98 -2.82 114.58 116.25 2ka0 h GLU 106 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2ka0 h GLU 106 Cb 1.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.88 2ka0 h GLU 106 CO -0.13 0.10 0.00 -3.47 -1.00 0.00 0.00 179.01 174.51 2ka0 n ASP 107 N -3.12 0.00 0.02 1.42 2.03 -1.26 -3.63 116.55 112.01 2ka0 n ASP 107 Ca 0.04 -1.37 -0.19 0.00 0.52 0.00 0.00 54.79 53.79 2ka0 n ASP 107 Cb 0.57 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.85 2ka0 n ASP 107 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2ka0 h LEU 108 N 0.00 0.59 -1.78 -2.67 4.07 -1.77 -3.37 115.31 110.38 2ka0 h LEU 108 Ca 0.00 -0.80 -0.03 0.00 0.08 0.00 0.00 57.88 57.13 2ka0 h LEU 108 Cb 0.00 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.55 2ka0 h LEU 108 CO 0.00 1.32 -0.13 0.11 -1.08 0.00 0.00 178.44 178.66 2ka0 h LYS 109 N -0.07 0.00 0.00 1.13 1.57 -1.78 -2.59 116.57 114.82 2ka0 h LYS 109 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2ka0 h LYS 109 Cb 1.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.78 2ka0 h LYS 109 CO 0.14 0.13 0.00 0.36 -0.57 0.00 0.00 179.45 179.52 2ka0 n LYS 110 N -3.55 0.06 -1.73 3.15 2.85 -1.26 -4.90 118.16 112.77 2ka0 n LYS 110 Ca -0.01 0.09 -0.30 0.00 -1.05 0.00 0.00 58.31 57.04 2ka0 n LYS 110 Cb 0.27 -1.57 0.09 0.00 -0.65 0.00 0.00 35.03 33.16 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 -3.03 2.75 0.51 0.58 -1.09 -0.98 -4.95 121.20 114.99 2ka0 s ILE 111 Ca 0.12 0.24 0.01 0.00 -2.23 0.00 0.00 60.65 58.79 2ka0 s ILE 111 Cb 0.16 -3.13 0.01 0.00 -1.58 0.00 0.00 42.46 37.92 2ka0 s ILE 111 CO 0.50 -0.32 0.06 0.29 -1.23 0.00 0.00 174.94 174.24 2ka0 n LYS 112 N -3.34 0.77 0.00 2.79 4.76 -1.26 -5.04 118.16 116.85 2ka0 n LYS 112 Ca 0.07 -3.62 0.01 0.00 -2.87 0.00 0.00 58.31 51.90 2ka0 n LYS 112 Cb 0.58 0.89 0.05 0.00 -1.84 0.00 0.00 35.03 34.71 2ka0 n LYS 112 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2ka0 n ASP 113 N -1.38 0.00 -2.71 4.39 2.03 -1.25 -4.20 116.55 113.43 2ka0 n ASP 113 Ca -0.18 -1.66 -0.06 0.00 0.52 0.00 0.00 54.79 53.41 2ka0 n ASP 113 Cb 0.63 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 41.08 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 0.38 -0.93 1.63 0.27 0.00 -1.20 -4.07 105.19 101.27 2ka0 n GLY 114 Ca 0.01 0.66 -0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 1.93 1.26 -3.57 1.61 -0.58 -1.26 -4.92 120.64 115.11 2ka0 n GLU 115 Ca 0.08 -2.95 -0.26 0.00 -0.42 0.00 0.00 57.16 53.61 2ka0 n GLU 115 Cb 0.65 -1.06 0.01 0.00 -0.57 0.00 0.00 31.44 30.47 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 -0.31 -1.72 -2.01 3.49 5.02 -1.25 -1.14 118.16 120.24 2ka0 n LYS 116 Ca 0.15 1.15 -0.42 0.00 -2.02 0.00 0.00 58.31 57.16 2ka0 n LYS 116 Cb 0.93 -2.74 -0.03 0.00 -0.02 0.00 0.00 35.03 33.18 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 -2.43 3.59 -0.07 -0.18 0.11 0.06 -4.21 120.40 117.28 2ka0 s VAL 117 Ca 0.15 0.72 -0.25 0.00 -2.93 0.00 0.00 61.98 59.67 2ka0 s VAL 117 Cb -0.02 -3.46 -0.03 0.00 -1.53 0.00 0.00 36.38 31.34 2ka0 s VAL 117 CO 0.87 -0.06 0.79 0.00 -3.33 0.00 0.00 175.10 173.36 2ka0 s ALA 118 N 4.02 3.33 -0.19 1.54 0.00 0.38 -1.15 121.76 129.70 2ka0 s ALA 118 Ca 0.73 0.21 -0.03 0.00 0.00 0.00 0.00 51.96 52.86 2ka0 s ALA 118 Cb -0.33 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 2ka0 s ALA 118 CO 0.29 -0.24 -0.05 0.08 0.00 0.00 0.00 175.76 175.84 2ka0 s VAL 119 N 1.11 3.52 0.19 0.00 1.01 0.85 -0.82 120.40 126.26 2ka0 s VAL 119 Ca 0.41 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 2ka0 s VAL 119 Cb -0.18 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2ka0 s VAL 119 CO 0.19 0.46 0.17 0.00 0.00 0.00 0.00 175.10 175.92 2ka0 s ARG 120 N 0.95 1.17 0.00 2.72 1.70 -0.36 -1.48 118.95 123.66 2ka0 s ARG 120 Ca -0.00 -1.49 0.30 0.00 -0.47 0.00 0.00 55.73 54.06 2ka0 s ARG 120 Cb -0.15 0.30 1.42 0.00 -0.57 0.00 0.00 34.95 35.95 2ka0 s ARG 120 CO 0.01 -0.39 2.00 1.19 -1.08 0.00 0.00 175.30 177.03 2ka0 n PHE 121 N -0.24 0.00 -2.78 5.89 3.72 -1.26 -0.64 117.46 122.16 2ka0 n PHE 121 Ca -0.01 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2ka0 n PHE 121 Cb 0.65 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 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 -1.36 -3.31 1.18 4.37 0.00 -1.26 -3.84 120.51 116.29 2ka0 n ALA 122 Ca 0.12 0.46 0.09 0.00 0.00 0.00 0.00 53.44 54.10 2ka0 n ALA 122 Cb 0.27 -1.03 0.51 0.00 0.00 0.00 0.00 19.45 19.20 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 0.74 0.00 0.00 0.00 7.64 -1.26 -4.89 113.62 115.85 2ka0 n SER 123 Ca 0.00 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.24 2ka0 n SER 123 Cb 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2ka0 n SER 123 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49