#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 1.20 -0.12 2.12 0.52 -1.25 -0.32 118.95 121.10 2ka0 s ARG 2 Ca 0.00 0.56 -0.06 0.00 -0.52 0.00 0.00 55.73 55.71 2ka0 s ARG 2 Cb 0.00 -1.82 0.05 0.00 0.52 0.00 0.00 34.95 33.70 2ka0 s ARG 2 CO 0.00 -2.21 0.28 0.08 0.02 0.00 0.00 175.30 173.47 2ka0 s VAL 3 N -3.08 -0.04 -0.20 3.52 1.01 0.30 -4.36 120.40 117.54 2ka0 s VAL 3 Ca 0.63 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.63 2ka0 s VAL 3 Cb -0.16 -0.43 -0.05 0.00 0.00 0.00 0.00 36.38 35.74 2ka0 s VAL 3 CO 0.55 0.05 0.19 -0.70 0.00 0.00 0.00 175.10 175.20 2ka0 s GLU 4 N 1.27 4.18 -0.47 2.72 2.12 -0.19 -0.26 118.70 128.07 2ka0 s GLU 4 Ca -0.09 -0.13 -0.15 0.00 0.36 0.00 0.00 54.97 54.96 2ka0 s GLU 4 Cb -0.10 -3.46 0.07 0.00 0.26 0.00 0.00 34.13 30.91 2ka0 s GLU 4 CO -0.09 0.21 0.38 -0.51 -0.54 0.00 0.00 175.26 174.71 2ka0 s LEU 5 N 0.60 5.59 0.01 2.70 2.01 0.07 -0.95 118.68 128.72 2ka0 s LEU 5 Ca 0.11 -1.35 -0.17 0.00 0.01 0.00 0.00 54.13 52.72 2ka0 s LEU 5 Cb -0.12 -2.17 -0.06 0.00 0.01 0.00 0.00 46.19 43.85 2ka0 s LEU 5 CO 0.01 -0.64 0.49 -0.22 1.01 0.00 0.00 176.35 177.01 2ka0 s LEU 6 N 1.62 4.47 0.39 1.79 0.20 -0.64 -0.85 118.68 125.67 2ka0 s LEU 6 Ca 0.04 1.08 0.03 0.00 0.69 0.00 0.00 54.13 55.97 2ka0 s LEU 6 Cb -0.24 -2.74 -0.04 0.00 -0.43 0.00 0.00 46.19 42.74 2ka0 s LEU 6 CO 0.06 0.25 0.09 -0.36 -0.29 0.00 0.00 176.35 176.10 2ka0 s PHE 7 N -0.83 1.87 0.33 5.38 0.08 -0.04 -0.55 117.98 124.23 2ka0 s PHE 7 Ca 0.26 -1.12 0.13 0.00 0.12 0.00 0.00 56.93 56.32 2ka0 s PHE 7 Cb -0.18 -1.27 0.64 0.00 -0.57 0.00 0.00 43.02 41.64 2ka0 s PHE 7 CO 0.15 -0.11 1.77 0.93 -0.10 0.00 0.00 175.22 177.86 2ka0 h GLU 8 N 1.85 0.00 -0.02 0.44 4.39 -1.10 -3.28 114.58 116.87 2ka0 h GLU 8 Ca -0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.32 2ka0 h GLU 8 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2ka0 h GLU 8 CO 0.64 0.43 -0.25 0.43 -1.16 0.00 0.00 179.01 179.10 2ka0 n SER 9 N -3.97 2.10 0.00 1.42 7.64 -1.26 -5.07 113.62 114.47 2ka0 n SER 9 Ca -0.02 -1.55 0.00 0.00 1.01 0.00 0.00 58.87 58.31 2ka0 n SER 9 Cb 0.46 0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.96 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 1.20 -1.05 3.41 0.23 0.00 -1.24 -4.81 105.19 102.94 2ka0 n GLY 10 Ca 0.09 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.77 0.92 0.31 1.61 -2.85 -1.26 -0.86 119.74 116.84 2ka0 s LYS 11 Ca 0.00 0.07 0.03 0.00 -1.00 0.00 0.00 55.97 55.06 2ka0 s LYS 11 Cb 0.00 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 36.15 2ka0 s LYS 11 CO 0.00 -0.28 0.12 0.00 0.10 0.00 0.00 175.35 175.28 2ka0 s VAL 13 N -3.52 0.60 0.16 0.00 1.01 -0.97 -0.75 120.40 116.92 2ka0 s VAL 13 Ca 0.34 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.54 2ka0 s VAL 13 Cb 0.06 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2ka0 s VAL 13 CO 0.15 -0.20 -0.14 0.27 0.00 0.00 0.00 175.10 175.18 2ka0 s ILE 14 N -0.98 1.51 -0.10 2.22 -4.36 0.64 -2.50 121.20 117.62 2ka0 s ILE 14 Ca -0.05 -1.94 -0.00 0.00 -0.26 0.00 0.00 60.65 58.40 2ka0 s ILE 14 Cb -0.08 -1.77 -0.03 0.00 1.25 0.00 0.00 42.46 41.83 2ka0 s ILE 14 CO 0.00 -0.49 -0.08 -0.62 0.24 0.00 0.00 174.94 173.99 2ka0 s ASP 15 N -2.83 4.52 -0.06 4.36 2.15 -0.51 -0.54 116.67 123.76 2ka0 s ASP 15 Ca 0.15 -0.12 0.06 0.00 0.43 0.00 0.00 52.55 53.06 2ka0 s ASP 15 Cb -0.03 -1.41 -0.01 0.00 -0.30 0.00 0.00 42.92 41.18 2ka0 s ASP 15 CO 0.04 0.27 -0.25 -0.76 -0.17 0.00 0.00 175.17 174.31 2ka0 s LEU 16 N -0.24 2.06 -0.28 -1.34 1.43 0.56 -1.10 118.68 119.78 2ka0 s LEU 16 Ca 0.03 -0.51 -0.23 0.00 -1.03 0.00 0.00 54.13 52.39 2ka0 s LEU 16 Cb -0.13 -1.36 -0.00 0.00 0.03 0.00 0.00 46.19 44.73 2ka0 s LEU 16 CO 0.03 0.23 0.77 0.21 0.23 0.00 0.00 176.35 177.82 2ka0 s ASN 17 N -0.10 6.70 0.00 2.29 3.04 -0.99 -2.31 114.94 123.57 2ka0 s ASN 17 Ca -0.05 0.78 0.00 0.00 0.04 0.00 0.00 52.86 53.63 2ka0 s ASN 17 Cb -0.14 -2.40 0.00 0.00 -1.54 0.00 0.00 41.25 37.17 2ka0 s ASN 17 CO 0.04 -0.54 0.16 -0.62 -3.04 0.00 0.00 177.10 173.10 2ka0 n GLU 18 N 6.06 0.31 -0.57 0.43 1.02 -1.26 -3.51 120.64 123.12 2ka0 n GLU 18 Ca 0.03 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.23 2ka0 n GLU 18 Cb 0.48 -1.16 0.10 0.00 -0.02 0.00 0.00 31.44 30.84 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 0.35 0.78 -4.28 3.49 1.02 -1.26 -4.70 120.64 116.05 2ka0 n GLU 19 Ca 0.00 -2.23 -0.20 0.00 -0.02 0.00 0.00 57.16 54.71 2ka0 n GLU 19 Cb 0.08 -0.99 -0.13 0.00 -0.02 0.00 0.00 31.44 30.38 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 -1.69 1.27 0.22 -0.32 2.02 -1.23 -5.06 117.35 112.56 2ka0 s TYR 20 Ca 0.25 -0.40 -0.08 0.00 -0.37 0.00 0.00 57.07 56.47 2ka0 s TYR 20 Cb 0.25 -0.73 0.35 0.00 -0.40 0.00 0.00 41.96 41.43 2ka0 s TYR 20 CO -0.04 0.06 1.70 1.49 -1.57 0.00 0.00 175.55 177.18 2ka0 h GLU 21 N 4.60 0.25 -0.43 -0.62 4.81 -1.93 -1.46 114.58 119.80 2ka0 h GLU 21 Ca -0.40 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 58.85 2ka0 h GLU 21 Cb 1.18 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 2ka0 h GLU 21 CO 0.42 0.17 0.23 0.28 -0.73 0.00 0.00 179.01 179.37 2ka0 h VAL 22 N 0.26 0.99 -0.14 0.32 2.07 -1.97 -1.49 116.25 116.29 2ka0 h VAL 22 Ca 0.35 -0.16 -0.12 0.00 0.82 0.00 0.00 66.70 67.59 2ka0 h VAL 22 Cb 0.55 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2ka0 h VAL 22 CO -0.45 0.08 -0.39 0.58 0.02 0.00 0.00 177.57 177.41 2ka0 h VAL 23 N 0.46 1.36 0.00 2.57 2.07 -1.56 0.34 116.25 121.48 2ka0 h VAL 23 Ca 0.18 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 2ka0 h VAL 23 Cb 0.07 2.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2ka0 h VAL 23 CO -0.12 0.50 -0.02 0.11 0.02 0.00 0.00 177.57 178.07 2ka0 h LYS 24 N 0.14 0.00 0.00 1.57 1.57 -1.41 -1.99 116.57 116.46 2ka0 h LYS 24 Ca -0.01 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 2ka0 h LYS 24 Cb 1.01 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 2ka0 h LYS 24 CO 0.08 0.02 -1.42 1.28 -0.57 0.00 0.00 179.45 178.85 2ka0 n LEU 25 N -3.73 0.86 0.17 2.94 4.77 -0.57 -3.87 117.00 117.58 2ka0 n LEU 25 Ca -0.03 0.38 0.02 0.00 -0.03 0.00 0.00 56.01 56.35 2ka0 n LEU 25 Cb 0.11 0.07 0.31 0.00 -2.33 0.00 0.00 43.42 41.58 2ka0 n LEU 25 CO 0.27 0.15 0.65 -0.07 -1.33 0.00 0.00 177.39 177.05 2ka0 h LEU 26 N 0.00 0.00 -1.34 2.23 3.38 0.33 -2.99 115.31 116.93 2ka0 h LEU 26 Ca -0.17 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.01 2ka0 h LEU 26 Cb 1.59 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.26 2ka0 h LEU 26 CO 0.05 0.45 0.61 0.50 0.09 0.00 0.00 178.44 180.13 2ka0 h LYS 27 N 0.00 0.52 0.00 1.13 3.11 -1.50 -0.63 116.57 119.20 2ka0 h LYS 27 Ca -0.00 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 2ka0 h LYS 27 Cb 0.85 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 2ka0 h LYS 27 CO 0.06 0.34 0.00 0.93 -2.81 0.00 0.00 179.45 177.97 2ka0 h GLU 28 N 0.53 0.00 0.00 1.90 4.39 -1.72 -3.20 114.58 116.48 2ka0 h GLU 28 Ca 0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.21 2ka0 h GLU 28 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 2ka0 h GLU 28 CO -0.25 0.00 -0.02 1.63 -1.16 0.00 0.00 179.01 179.21 2ka0 n LYS 29 N -2.70 2.17 -4.25 2.33 4.76 -0.28 -5.02 118.16 115.17 2ka0 n LYS 29 Ca 0.02 -1.59 -0.35 0.00 -2.87 0.00 0.00 58.31 53.52 2ka0 n LYS 29 Cb 0.30 -1.03 -0.10 0.00 -1.84 0.00 0.00 35.03 32.36 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 -1.23 4.44 0.88 -0.18 1.01 -0.98 -3.31 121.20 121.83 2ka0 s ILE 30 Ca 0.07 -0.18 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 2ka0 s ILE 30 Cb 0.06 -2.92 0.12 0.00 0.01 0.00 0.00 42.46 39.72 2ka0 s ILE 30 CO 0.01 0.55 1.09 -2.16 0.00 0.00 0.00 174.94 174.43 2ka0 s PRO 31 N -0.37 1.42 0.21 2.79 0.04 -1.26 -4.98 135.00 132.85 2ka0 s PRO 31 Ca 0.08 0.87 -0.09 0.00 0.04 0.00 0.00 61.00 61.90 2ka0 s PRO 31 Cb -0.12 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 2ka0 s PRO 31 CO 0.02 -2.14 0.33 -0.59 0.04 0.00 0.00 177.00 174.66 2ka0 s PHE 32 N -2.93 0.58 0.11 0.56 -0.71 -0.76 -5.01 117.98 109.81 2ka0 s PHE 32 Ca 0.63 -0.90 0.05 0.00 -1.04 0.00 0.00 56.93 55.67 2ka0 s PHE 32 Cb -0.18 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.52 2ka0 s PHE 32 CO 0.57 -0.82 -0.13 -1.21 -1.34 0.00 0.00 175.22 172.29 2ka0 s GLU 33 N -4.04 0.95 0.15 1.99 8.01 -1.26 -0.26 118.70 124.23 2ka0 s GLU 33 Ca 0.25 -1.19 -0.10 0.00 0.01 0.00 0.00 54.97 53.94 2ka0 s GLU 33 Cb 0.02 -0.77 0.04 0.00 -4.31 0.00 0.00 34.13 29.11 2ka0 s GLU 33 CO 0.07 0.14 0.52 0.45 0.01 0.00 0.00 175.26 176.45 2ka0 n SER 34 N 0.60 -1.08 -4.85 -0.19 2.88 -0.84 -5.00 113.62 105.14 2ka0 n SER 34 Ca -0.16 -1.65 -0.37 0.00 -1.33 0.00 0.00 58.87 55.36 2ka0 n SER 34 Cb 0.57 1.78 -0.06 0.00 -0.75 0.00 0.00 64.21 65.75 2ka0 n SER 34 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2ka0 s VAL 35 N -2.37 5.03 -0.82 2.46 1.01 -1.26 -0.99 120.40 123.46 2ka0 s VAL 35 Ca 0.11 0.71 -0.16 0.00 0.00 0.00 0.00 61.98 62.65 2ka0 s VAL 35 Cb -0.02 -3.69 0.18 0.00 0.00 0.00 0.00 36.38 32.85 2ka0 s VAL 35 CO 0.04 0.45 0.83 -0.69 0.00 0.00 0.00 175.10 175.74 2ka0 s VAL 36 N -1.22 5.32 0.48 2.92 1.01 -1.26 -4.16 120.40 123.49 2ka0 s VAL 36 Ca 0.28 -2.10 -0.06 0.00 0.00 0.00 0.00 61.98 60.11 2ka0 s VAL 36 Cb -0.16 -4.54 -0.04 0.00 0.00 0.00 0.00 36.38 31.65 2ka0 s VAL 36 CO 0.16 -1.14 0.80 0.20 0.00 0.00 0.00 175.10 175.11 2ka0 s ASN 37 N 2.70 6.28 0.06 3.32 0.01 -0.34 -0.83 114.94 126.14 2ka0 s ASN 37 Ca 0.20 0.97 0.04 0.00 -0.71 0.00 0.00 52.86 53.36 2ka0 s ASN 37 Cb -0.11 -2.27 -0.03 0.00 0.41 0.00 0.00 41.25 39.26 2ka0 s ASN 37 CO -0.07 -0.58 -0.12 0.42 -1.51 0.00 0.00 177.10 175.23 2ka0 s THR 38 N -2.74 0.92 -0.30 1.60 -4.23 -1.26 -1.16 115.64 108.47 2ka0 s THR 38 Ca 0.48 -1.18 -0.04 0.00 -1.18 0.00 0.00 61.69 59.78 2ka0 s THR 38 Cb -0.10 -0.90 0.19 0.00 1.34 0.00 0.00 72.50 73.02 2ka0 s THR 38 CO 0.45 -0.24 0.81 0.86 -0.54 0.00 0.00 174.62 175.95 2ka0 s TRP 39 N -1.23 -1.17 0.00 3.99 -0.00 -0.78 -5.00 118.94 114.75 2ka0 s TRP 39 Ca -0.04 0.85 0.00 0.00 -0.00 0.00 0.00 56.10 56.91 2ka0 s TRP 39 Cb -0.10 0.26 0.00 0.00 -0.00 0.00 0.00 33.47 33.64 2ka0 s TRP 39 CO 0.02 -0.67 0.00 0.41 -0.00 0.00 0.00 176.95 176.71 2ka0 n GLY 40 N 5.33 0.79 3.96 5.86 0.00 -1.26 -2.26 105.19 117.61 2ka0 n GLY 40 Ca 0.03 -0.66 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 2ka0 n GLY 40 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ka0 n GLU 41 N -0.74 -2.94 -4.09 1.61 0.28 -1.26 -3.16 120.64 110.35 2ka0 n GLU 41 Ca 0.00 0.38 -0.07 0.00 -0.16 0.00 0.00 57.16 57.31 2ka0 n GLU 41 Cb 0.41 -4.40 -0.10 0.00 1.43 0.00 0.00 31.44 28.79 2ka0 n GLU 41 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2ka0 s GLU 42 N -6.58 0.60 -0.01 3.44 2.12 -0.96 -3.80 118.70 113.50 2ka0 s GLU 42 Ca 0.04 -1.19 0.04 0.00 0.36 0.00 0.00 54.97 54.22 2ka0 s GLU 42 Cb -0.02 0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.57 2ka0 s GLU 42 CO 0.90 -0.11 -0.12 0.42 -0.54 0.00 0.00 175.26 175.81 2ka0 s ILE 43 N -3.81 0.92 -0.03 -3.70 1.01 -1.20 -1.87 121.20 112.52 2ka0 s ILE 43 Ca 0.06 -0.49 -0.24 0.00 0.00 0.00 0.00 60.65 59.98 2ka0 s ILE 43 Cb 0.07 -0.77 0.05 0.00 0.01 0.00 0.00 42.46 41.82 2ka0 s ILE 43 CO -0.10 0.26 0.51 -0.72 0.00 0.00 0.00 174.94 174.90 2ka0 s TYR 44 N -0.24 -0.45 0.05 3.97 1.13 -0.31 -1.36 117.35 120.15 2ka0 s TYR 44 Ca 0.04 0.74 0.02 0.00 -1.41 0.00 0.00 57.07 56.46 2ka0 s TYR 44 Cb -0.05 0.27 -0.03 0.00 -1.10 0.00 0.00 41.96 41.05 2ka0 s TYR 44 CO -0.00 -0.51 -0.08 -0.59 -2.51 0.00 0.00 175.55 171.85 2ka0 s PHE 45 N -1.26 0.74 -1.13 -3.49 -0.71 -1.26 -1.19 117.98 109.69 2ka0 s PHE 45 Ca -0.12 -0.57 -0.16 0.00 -1.04 0.00 0.00 56.93 55.04 2ka0 s PHE 45 Cb -0.02 -0.44 0.15 0.00 -1.21 0.00 0.00 43.02 41.50 2ka0 s PHE 45 CO 0.07 -0.09 1.36 0.45 -1.34 0.00 0.00 175.22 175.68 2ka0 s SER 46 N -1.85 6.91 0.68 1.98 0.15 -1.26 -2.35 113.70 117.97 2ka0 s SER 46 Ca -0.06 -2.64 -0.17 0.00 0.70 0.00 0.00 55.95 53.78 2ka0 s SER 46 Cb -0.07 -2.42 -0.03 0.00 -1.71 0.00 0.00 66.02 61.80 2ka0 s SER 46 CO -0.00 -0.88 0.80 0.35 1.20 0.00 0.00 173.24 174.70 2ka0 n THR 47 N 5.04 2.70 1.92 6.45 -2.24 0.10 -4.89 114.28 123.36 2ka0 n THR 47 Ca 0.34 -0.42 0.08 0.00 -2.27 0.00 0.00 64.05 61.77 2ka0 n THR 47 Cb 0.45 -0.97 0.46 0.00 -2.10 0.00 0.00 70.33 68.17 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 -1.20 0.96 -4.34 -0.78 -0.04 -1.26 -4.79 135.00 123.55 2ka0 n PRO 48 Ca 0.12 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.24 2ka0 n PRO 48 Cb 0.49 -1.25 -0.11 0.00 -0.04 0.00 0.00 33.50 32.58 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 -2.00 4.08 -0.63 0.52 1.01 -1.26 -5.03 120.40 117.09 2ka0 s VAL 49 Ca 0.23 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.97 2ka0 s VAL 49 Cb 0.11 -2.78 0.28 0.00 0.00 0.00 0.00 36.38 33.99 2ka0 s VAL 49 CO 0.18 0.51 0.84 0.59 0.00 0.00 0.00 175.10 177.22 2ka0 n ASN 50 N 3.31 4.12 -4.45 3.32 4.13 -1.26 -4.83 115.26 119.60 2ka0 n ASN 50 Ca -0.17 -3.54 -0.34 0.00 1.68 0.00 0.00 54.58 52.21 2ka0 n ASN 50 Cb 0.53 -0.65 -0.13 0.00 -1.54 0.00 0.00 39.78 37.99 2ka0 n ASN 50 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2ka0 s VAL 51 N -3.22 3.65 -0.36 2.41 1.01 -1.26 -5.02 120.40 117.61 2ka0 s VAL 51 Ca 0.43 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 62.04 2ka0 s VAL 51 Cb 0.19 -2.59 0.44 0.00 0.00 0.00 0.00 36.38 34.43 2ka0 s VAL 51 CO -0.06 0.49 1.14 0.00 0.00 0.00 0.00 175.10 176.67 2ka0 n GLN 52 N 3.65 3.32 -4.42 2.72 3.00 -1.26 -4.51 117.38 119.87 2ka0 n GLN 52 Ca -0.18 -4.25 -0.22 0.00 -0.01 0.00 0.00 57.00 52.35 2ka0 n GLN 52 Cb 0.52 -2.18 -0.13 0.00 0.00 0.00 0.00 30.24 28.45 2ka0 n GLN 52 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2ka0 s LYS 53 N -3.56 1.10 -0.28 -1.09 2.20 -1.26 -5.11 119.74 111.73 2ka0 s LYS 53 Ca 0.47 -0.89 -0.02 0.00 -0.36 0.00 0.00 55.97 55.18 2ka0 s LYS 53 Cb 0.40 -1.17 0.17 0.00 -1.51 0.00 0.00 37.83 35.72 2ka0 s LYS 53 CO -0.07 0.29 0.54 0.00 -0.36 0.00 0.00 175.35 175.75 2ka0 s MET 54 N -1.30 0.51 0.12 4.03 0.23 -1.26 -4.78 119.30 116.85 2ka0 s MET 54 Ca 0.04 0.90 0.16 0.00 -1.03 0.00 0.00 55.69 55.76 2ka0 s MET 54 Cb -0.09 0.30 -0.08 0.00 -1.53 0.00 0.00 34.83 33.43 2ka0 s MET 54 CO 0.02 -0.61 1.00 0.93 -2.03 0.00 0.00 175.02 174.33 2ka0 h GLU 55 N 8.05 0.00 -2.19 3.16 4.39 -1.98 -3.39 114.58 122.62 2ka0 h GLU 55 Ca -0.22 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 58.90 2ka0 h GLU 55 Cb 1.16 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 29.39 2ka0 h GLU 55 CO 0.26 0.35 -0.70 -1.71 -1.16 0.00 0.00 179.01 176.04 2ka0 n ASN 56 N -2.98 3.48 -4.63 1.42 5.15 -1.26 -5.07 115.26 111.37 2ka0 n ASN 56 Ca -0.06 -3.43 -0.43 0.00 -0.60 0.00 0.00 54.58 50.06 2ka0 n ASN 56 Cb 0.81 -0.62 -0.02 0.00 -0.53 0.00 0.00 39.78 39.41 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 -2.72 3.78 -0.09 1.20 0.04 -1.26 -3.48 135.00 132.48 2ka0 s PRO 57 Ca 0.43 1.60 0.04 0.00 0.04 0.00 0.00 61.00 63.11 2ka0 s PRO 57 Cb 0.21 -4.03 -0.00 0.00 0.04 0.00 0.00 34.50 30.72 2ka0 s PRO 57 CO -0.07 -1.31 -0.24 1.03 0.04 0.00 0.00 177.00 176.45 2ka0 s ARG 58 N 4.67 2.93 0.00 4.56 1.81 -0.41 -4.97 118.95 127.54 2ka0 s ARG 58 Ca 0.70 -0.88 0.21 0.00 -1.72 0.00 0.00 55.73 54.04 2ka0 s ARG 58 Cb -0.24 -2.28 0.60 0.00 -0.45 0.00 0.00 34.95 32.58 2ka0 s ARG 58 CO 0.29 0.24 1.47 0.39 -0.68 0.00 0.00 175.30 177.01 2ka0 n GLU 59 N 3.37 2.01 -3.53 3.54 1.02 -1.26 -3.26 120.64 122.52 2ka0 n GLU 59 Ca -0.19 -1.53 -0.17 0.00 -0.02 0.00 0.00 57.16 55.26 2ka0 n GLU 59 Cb 0.53 -1.42 -0.06 0.00 -0.02 0.00 0.00 31.44 30.46 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 -1.65 0.00 0.26 2.62 0.11 -1.26 -4.03 120.40 116.45 2ka0 s VAL 60 Ca 0.34 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.41 2ka0 s VAL 60 Cb 0.19 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 34.01 2ka0 s VAL 60 CO 0.27 0.00 0.22 0.68 -3.33 0.00 0.00 175.10 172.94 2ka0 s VAL 61 N -1.07 0.00 0.53 2.04 -7.23 -0.83 -4.99 120.40 108.85 2ka0 s VAL 61 Ca -0.09 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.15 2ka0 s VAL 61 Cb -0.00 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.47 2ka0 s VAL 61 CO 0.09 0.00 0.74 -1.61 -0.31 0.00 0.00 175.10 174.00 2ka0 s GLU 62 N -3.81 2.59 0.00 4.82 2.02 -1.26 -4.51 118.70 118.55 2ka0 s GLU 62 Ca 0.39 -0.87 0.16 0.00 0.02 0.00 0.00 54.97 54.66 2ka0 s GLU 62 Cb 0.04 -2.54 0.76 0.00 0.10 0.00 0.00 34.13 32.50 2ka0 s GLU 62 CO 0.19 -0.64 1.48 -0.89 0.02 0.00 0.00 175.26 175.42 2ka0 n ILE 63 N -2.25 0.69 -1.82 -1.63 5.41 -1.26 -2.69 119.36 115.80 2ka0 n ILE 63 Ca 0.08 0.17 0.05 0.00 1.00 0.00 0.00 62.75 64.06 2ka0 n ILE 63 Cb 0.60 -0.90 0.12 0.00 -0.71 0.00 0.00 39.64 38.74 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 0.10 3.37 3.97 7.39 0.00 -1.26 -3.66 105.19 115.10 2ka0 n GLY 64 Ca 0.06 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.57 5.05 -0.03 1.61 1.01 -1.09 -1.42 116.67 119.24 2ka0 s ASP 65 Ca 0.32 -0.87 0.01 0.00 0.71 0.00 0.00 52.55 52.72 2ka0 s ASP 65 Cb 0.32 0.04 0.01 0.00 1.01 0.00 0.00 42.92 44.30 2ka0 s ASP 65 CO -0.07 -1.07 -0.04 -0.69 0.21 0.00 0.00 175.17 173.50 2ka0 s VAL 66 N -2.61 0.44 0.26 -1.27 1.01 -0.35 -3.36 120.40 114.52 2ka0 s VAL 66 Ca 0.51 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.35 2ka0 s VAL 66 Cb -0.05 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 2ka0 s VAL 66 CO 0.31 0.17 0.46 -0.83 0.00 0.00 0.00 175.10 175.21 2ka0 s GLY 67 N 0.51 1.62 -0.04 4.51 0.00 -1.03 -3.13 107.32 109.74 2ka0 s GLY 67 Ca -0.06 -0.85 -0.02 0.00 0.00 0.00 0.00 44.72 43.79 2ka0 s GLY 67 CO -0.00 -0.80 0.09 -0.47 0.00 0.00 0.00 173.10 171.92 2ka0 s TYR 68 N -2.04 3.35 -0.79 1.90 5.04 -1.09 -2.08 117.35 121.64 2ka0 s TYR 68 Ca 0.39 0.28 -0.04 0.00 -2.44 0.00 0.00 57.07 55.26 2ka0 s TYR 68 Cb -0.10 -1.80 0.20 0.00 0.35 0.00 0.00 41.96 40.61 2ka0 s TYR 68 CO 0.31 0.58 0.66 -0.46 -1.34 0.00 0.00 175.55 175.30 2ka0 s TRP 69 N -1.11 3.70 0.52 4.97 -0.00 0.01 -3.52 118.94 123.51 2ka0 s TRP 69 Ca 0.20 -2.75 0.17 0.00 -0.00 0.00 0.00 56.10 53.72 2ka0 s TRP 69 Cb -0.12 -3.34 1.30 0.00 -0.00 0.00 0.00 33.47 31.31 2ka0 s TRP 69 CO 0.10 -0.82 2.14 -1.00 -0.00 0.00 0.00 176.95 177.37 2ka0 h PRO 70 N 6.68 0.00 0.00 5.86 0.13 -1.82 -0.92 132.00 141.93 2ka0 h PRO 70 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2ka0 h PRO 70 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2ka0 h PRO 70 CO 0.79 0.00 0.00 -0.35 -0.23 0.00 0.00 178.00 178.21 2ka0 n PRO 71 N -4.51 0.09 0.00 1.56 -0.04 -1.26 -3.78 135.00 127.07 2ka0 n PRO 71 Ca -0.02 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2ka0 n PRO 71 Cb 0.12 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 2ka0 n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ka0 n GLY 72 N 1.12 -1.71 3.93 0.55 0.00 -1.11 -5.03 105.19 102.95 2ka0 n GLY 72 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.08 -4.45 -4.38 1.61 4.01 -0.37 -4.91 118.16 109.59 2ka0 n LYS 73 Ca 0.00 0.52 -0.19 0.00 -0.51 0.00 0.00 58.31 58.12 2ka0 n LYS 73 Cb 0.43 -5.13 -0.10 0.00 -0.51 0.00 0.00 35.03 29.72 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 -3.54 2.10 0.89 7.82 0.00 -1.11 -0.72 121.76 127.20 2ka0 s ALA 74 Ca 0.38 -1.85 -0.11 0.00 0.00 0.00 0.00 51.96 50.37 2ka0 s ALA 74 Cb -0.19 0.38 0.18 0.00 0.00 0.00 0.00 23.12 23.48 2ka0 s ALA 74 CO 0.86 -0.18 1.22 -1.17 0.00 0.00 0.00 175.76 176.49 2ka0 s LEU 75 N -3.38 2.80 -0.25 0.00 2.96 -0.99 -0.81 118.68 119.01 2ka0 s LEU 75 Ca 0.30 0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 54.22 2ka0 s LEU 75 Cb 0.05 -2.17 0.14 0.00 0.50 0.00 0.00 46.19 44.71 2ka0 s LEU 75 CO 0.11 -2.46 0.38 0.00 -1.32 0.00 0.00 176.35 173.05 2ka0 s LEU 77 N 2.54 4.21 0.08 0.00 1.43 -0.47 -2.46 118.68 124.01 2ka0 s LEU 77 Ca 0.12 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.47 2ka0 s LEU 77 Cb -0.15 -2.76 -0.05 0.00 0.03 0.00 0.00 46.19 43.26 2ka0 s LEU 77 CO -0.17 -1.21 0.95 -0.36 0.23 0.00 0.00 176.35 175.79 2ka0 s PHE 78 N 3.83 3.77 0.00 0.29 0.08 -1.21 -3.20 117.98 121.54 2ka0 s PHE 78 Ca 0.28 1.75 0.02 0.00 0.12 0.00 0.00 56.93 59.11 2ka0 s PHE 78 Cb -0.13 -3.05 0.03 0.00 -0.57 0.00 0.00 43.02 39.30 2ka0 s PHE 78 CO 0.18 0.16 0.76 1.97 -0.10 0.00 0.00 175.22 178.19 2ka0 n PHE 79 N 3.03 0.00 0.00 0.36 -1.74 -1.24 -4.25 117.46 113.62 2ka0 n PHE 79 Ca 0.03 -0.11 0.00 0.00 -0.56 0.00 0.00 57.45 56.81 2ka0 n PHE 79 Cb 0.50 0.17 0.00 0.00 1.52 0.00 0.00 39.48 41.67 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 0.04 2.40 2.60 4.97 0.00 -1.25 -5.01 105.19 108.95 2ka0 n GLY 80 Ca -0.03 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 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 4.97 0.27 0.81 1.61 2.36 -1.26 -4.82 119.74 123.69 2ka0 s LYS 81 Ca 0.00 -0.50 -0.13 0.00 -2.55 0.00 0.00 55.97 52.79 2ka0 s LYS 81 Cb 0.00 -1.50 0.07 0.00 -1.05 0.00 0.00 37.83 35.35 2ka0 s LYS 81 CO 0.00 -0.91 1.08 0.25 1.55 0.00 0.00 175.35 177.32 2ka0 n THR 82 N 5.18 1.80 0.93 3.43 -2.24 -1.19 -4.84 114.28 117.36 2ka0 n THR 82 Ca -0.06 -0.22 0.08 0.00 -2.27 0.00 0.00 64.05 61.59 2ka0 n THR 82 Cb 0.44 -1.11 0.46 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.95 0.38 0.00 -0.78 -0.04 -1.26 -3.04 135.00 127.31 2ka0 n PRO 83 Ca 0.13 0.07 0.09 0.00 -0.04 0.00 0.00 63.50 63.75 2ka0 n PRO 83 Cb 0.51 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.90 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 -1.15 0.08 -3.85 0.54 1.56 -1.26 -4.80 117.12 108.23 2ka0 n MET 84 Ca 0.10 0.15 -0.19 0.00 -0.27 0.00 0.00 57.70 57.50 2ka0 n MET 84 Cb 0.10 -1.50 -0.06 0.00 2.15 0.00 0.00 33.22 33.91 2ka0 n MET 84 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2ka0 n SER 85 N -1.44 0.81 0.00 6.12 2.88 -1.17 -4.82 113.62 116.00 2ka0 n SER 85 Ca 0.06 -2.70 0.00 0.00 -1.33 0.00 0.00 58.87 54.90 2ka0 n SER 85 Cb 0.20 0.91 0.00 0.00 -0.75 0.00 0.00 64.21 64.57 2ka0 n SER 85 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2ka0 n ASP 86 N -1.71 0.00 0.13 -3.46 -0.08 -1.26 -4.92 116.55 105.25 2ka0 n ASP 86 Ca -0.02 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.15 2ka0 n ASP 86 Cb 0.48 0.03 -0.06 0.00 2.34 0.00 0.00 41.12 43.90 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 -0.34 -1.31 1.67 3.32 -1.99 -3.49 116.42 114.28 2ka0 h ASP 87 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.88 2ka0 h ASP 87 Cb 0.00 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2ka0 h ASP 87 CO 0.00 0.14 0.00 2.29 -1.72 0.00 0.00 179.24 179.95 2ka0 n LYS 88 N -5.05 1.04 -3.55 3.56 2.85 -1.26 -5.08 118.16 110.67 2ka0 n LYS 88 Ca -0.08 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.83 2ka0 n LYS 88 Cb 0.25 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.57 2ka0 n LYS 88 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2ka0 n ILE 89 N 0.00 3.16 -2.58 0.58 5.41 -1.26 -4.68 119.36 119.99 2ka0 n ILE 89 Ca 0.00 -5.22 -0.38 0.00 1.00 0.00 0.00 62.75 58.15 2ka0 n ILE 89 Cb 0.00 -2.30 -0.05 0.00 -0.71 0.00 0.00 39.64 36.58 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 -1.70 4.49 1.06 0.38 -0.21 -1.26 -1.96 119.66 120.45 2ka0 s GLN 90 Ca 0.30 1.59 -0.18 0.00 0.02 0.00 0.00 55.36 57.09 2ka0 s GLN 90 Cb -0.03 -2.92 0.25 0.00 1.00 0.00 0.00 33.01 31.31 2ka0 s GLN 90 CO -0.09 0.13 1.30 -1.25 -2.12 0.00 0.00 175.29 173.26 2ka0 s PRO 91 N -1.87 -0.11 0.22 2.91 0.04 -1.26 -4.38 135.00 130.55 2ka0 s PRO 91 Ca 0.50 -0.45 0.22 0.00 0.04 0.00 0.00 61.00 61.31 2ka0 s PRO 91 Cb -0.26 -1.76 0.93 0.00 0.04 0.00 0.00 34.50 33.45 2ka0 s PRO 91 CO 0.33 -2.91 1.68 0.00 0.04 0.00 0.00 177.00 176.14 2ka0 n ALA 92 N -4.11 1.69 -3.18 8.56 0.00 -1.26 -4.88 120.51 117.32 2ka0 n ALA 92 Ca 0.16 0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.68 2ka0 n ALA 92 Cb 0.59 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.14 -0.38 -4.55 0.00 2.88 -1.26 -5.06 113.62 103.11 2ka0 n SER 93 Ca 0.02 -1.21 -0.31 0.00 -1.33 0.00 0.00 58.87 56.04 2ka0 n SER 93 Cb 0.23 0.62 -0.04 0.00 -0.75 0.00 0.00 64.21 64.27 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 -1.22 1.50 0.66 -1.46 0.00 -1.26 -4.83 121.76 115.15 2ka0 s ALA 94 Ca 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 2ka0 s ALA 94 Cb -0.01 -4.40 0.08 0.00 0.00 0.00 0.00 23.12 18.79 2ka0 s ALA 94 CO 0.01 -4.72 0.93 0.14 0.00 0.00 0.00 175.76 172.13 2ka0 s VAL 95 N 12.27 2.37 -0.11 0.00 -7.23 -1.20 -4.81 120.40 121.68 2ka0 s VAL 95 Ca 0.91 -0.50 0.01 0.00 -1.81 0.00 0.00 61.98 60.59 2ka0 s VAL 95 Cb -0.15 -2.87 0.02 0.00 0.56 0.00 0.00 36.38 33.94 2ka0 s VAL 95 CO 0.20 0.00 -0.13 0.21 -0.31 0.00 0.00 175.10 175.07 2ka0 s ASN 96 N -4.57 2.31 -0.93 4.85 2.47 -1.23 -1.28 114.94 116.56 2ka0 s ASN 96 Ca 0.62 -0.39 -0.07 0.00 0.42 0.00 0.00 52.86 53.44 2ka0 s ASN 96 Cb -0.09 -1.01 -0.08 0.00 -1.45 0.00 0.00 41.25 38.62 2ka0 s ASN 96 CO 0.43 -0.02 3.02 0.52 -3.72 0.00 0.00 177.10 177.33 2ka0 n VAL 97 N 4.35 3.98 0.64 -5.21 0.31 -1.23 -2.66 118.33 118.51 2ka0 n VAL 97 Ca -0.18 -2.66 0.13 0.00 -0.01 0.00 0.00 64.34 61.62 2ka0 n VAL 97 Cb 0.51 -2.19 0.41 0.00 -0.91 0.00 0.00 33.84 31.66 2ka0 n VAL 97 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2ka0 n ILE 98 N 2.53 0.57 -4.40 2.52 -5.35 -1.25 -4.85 119.36 109.13 2ka0 n ILE 98 Ca 0.61 -0.27 -0.24 0.00 -0.27 0.00 0.00 62.75 62.58 2ka0 n ILE 98 Cb 0.48 -0.58 -0.11 0.00 -1.74 0.00 0.00 39.64 37.69 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 -3.55 1.62 -0.00 3.28 0.00 -1.19 -2.35 107.32 105.13 2ka0 s GLY 99 Ca 0.11 -1.63 0.02 0.00 0.00 0.00 0.00 44.72 43.21 2ka0 s GLY 99 CO 0.59 -1.68 -0.06 1.25 0.00 0.00 0.00 173.10 173.21 2ka0 s LYS 100 N -2.91 0.44 -0.90 2.90 2.47 -0.26 -1.21 119.74 120.27 2ka0 s LYS 100 Ca 0.21 -0.24 -0.25 0.00 -1.56 0.00 0.00 55.97 54.13 2ka0 s LYS 100 Cb -0.06 -0.41 0.04 0.00 -1.46 0.00 0.00 37.83 35.94 2ka0 s LYS 100 CO 0.09 0.11 1.40 0.42 0.16 0.00 0.00 175.35 177.54 2ka0 s ILE 101 N -0.23 3.83 -0.15 5.43 1.01 -0.51 -1.42 121.20 129.16 2ka0 s ILE 101 Ca 0.01 -0.29 0.19 0.00 0.00 0.00 0.00 60.65 60.56 2ka0 s ILE 101 Cb -0.03 -4.97 -0.12 0.00 0.01 0.00 0.00 42.46 37.36 2ka0 s ILE 101 CO -0.00 -1.87 0.82 0.55 0.00 0.00 0.00 174.94 174.44 2ka0 n VAL 102 N 6.72 0.92 -3.72 2.92 3.14 -1.04 -4.86 118.33 122.41 2ka0 n VAL 102 Ca 0.22 -0.64 -0.10 0.00 -2.96 0.00 0.00 64.34 60.86 2ka0 n VAL 102 Cb 0.50 -0.54 -0.06 0.00 -1.06 0.00 0.00 33.84 32.69 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 -3.09 0.97 0.00 1.45 0.41 -1.11 -5.01 118.70 112.32 2ka0 s GLU 103 Ca -0.03 -0.79 0.00 0.00 -0.41 0.00 0.00 54.97 53.74 2ka0 s GLU 103 Cb 0.09 0.42 0.00 0.00 -1.78 0.00 0.00 34.13 32.86 2ka0 s GLU 103 CO 0.81 -0.35 0.00 0.41 -0.49 0.00 0.00 175.26 175.64 2ka0 n GLY 104 N -0.12 0.43 0.09 -1.39 0.00 -1.26 -2.29 105.19 100.65 2ka0 n GLY 104 Ca -0.16 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 -0.15 -1.55 0.99 5.85 -1.91 -2.33 115.31 116.20 2ka0 h LEU 105 Ca 0.00 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2ka0 h LEU 105 Cb 0.00 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2ka0 h LEU 105 CO 0.00 -0.05 -0.20 -0.33 -0.34 0.00 0.00 178.44 177.51 2ka0 h GLU 106 N 0.00 0.00 0.00 1.25 5.08 -1.98 -2.45 114.58 116.49 2ka0 h GLU 106 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2ka0 h GLU 106 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2ka0 h GLU 106 CO -0.17 0.20 0.00 -0.25 -1.00 0.00 0.00 179.01 177.79 2ka0 n ASP 107 N -3.66 0.00 0.05 1.42 8.00 -0.88 -3.33 116.55 118.15 2ka0 n ASP 107 Ca -0.01 0.08 -0.20 0.00 0.71 0.00 0.00 54.79 55.36 2ka0 n ASP 107 Cb 0.33 -0.30 -0.15 0.00 -0.02 0.00 0.00 41.12 40.99 2ka0 n ASP 107 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2ka0 h LEU 108 N 0.00 0.46 -2.45 0.64 3.38 -1.42 -3.33 115.31 112.60 2ka0 h LEU 108 Ca 0.00 -0.94 0.02 0.00 0.09 0.00 0.00 57.88 57.05 2ka0 h LEU 108 Cb 0.16 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2ka0 h LEU 108 CO 0.00 1.42 0.14 0.11 0.09 0.00 0.00 178.44 180.20 2ka0 h LYS 109 N -0.36 0.00 -0.65 1.13 1.57 -1.74 -2.23 116.57 114.30 2ka0 h LYS 109 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2ka0 h LYS 109 Cb 1.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.97 2ka0 h LYS 109 CO 0.14 0.00 0.00 0.36 -0.57 0.00 0.00 179.45 179.38 2ka0 n LYS 110 N -3.43 2.89 -4.34 3.15 2.85 -1.25 -4.92 118.16 113.10 2ka0 n LYS 110 Ca -0.01 -1.78 -0.30 0.00 -1.05 0.00 0.00 58.31 55.17 2ka0 n LYS 110 Cb 0.23 -1.75 -0.10 0.00 -0.65 0.00 0.00 35.03 32.75 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 -1.83 3.29 0.67 0.58 -1.09 -0.84 -4.80 121.20 117.18 2ka0 s ILE 111 Ca 0.32 -1.18 -0.03 0.00 -2.23 0.00 0.00 60.65 57.52 2ka0 s ILE 111 Cb 0.22 -2.49 0.07 0.00 -1.58 0.00 0.00 42.46 38.67 2ka0 s ILE 111 CO 0.13 0.20 0.94 -0.54 -1.23 0.00 0.00 174.94 174.44 2ka0 s LYS 112 N -1.94 2.13 0.00 2.79 -0.14 -1.26 -4.98 119.74 116.33 2ka0 s LYS 112 Ca 0.19 -0.62 -0.00 0.00 -1.36 0.00 0.00 55.97 54.18 2ka0 s LYS 112 Cb -0.11 -2.30 -0.00 0.00 -1.68 0.00 0.00 37.83 33.74 2ka0 s LYS 112 CO 0.11 -1.16 1.12 -3.47 -0.76 0.00 0.00 175.35 171.19 2ka0 n ASP 113 N -2.75 2.96 0.00 2.83 2.03 -1.26 -3.58 116.55 116.78 2ka0 n ASP 113 Ca 0.10 -1.78 0.00 0.00 0.52 0.00 0.00 54.79 53.63 2ka0 n ASP 113 Cb 0.60 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 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 1.74 0.00 0.63 0.27 0.00 -0.01 -4.73 105.19 103.08 2ka0 n GLY 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.68 -1.20 1.61 -0.58 -1.23 -4.64 120.64 115.28 2ka0 n GLU 115 Ca 0.00 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.78 2ka0 n GLU 115 Cb 0.00 -1.29 -0.02 0.00 -0.57 0.00 0.00 31.44 29.55 2ka0 n GLU 115 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2ka0 n LYS 116 N 0.29 -3.04 -4.12 3.49 0.00 -1.26 -0.85 118.16 112.67 2ka0 n LYS 116 Ca 0.00 2.39 -0.15 0.00 0.00 0.00 0.00 58.31 60.55 2ka0 n LYS 116 Cb 0.21 -3.10 -0.12 0.00 0.00 0.00 0.00 35.03 32.02 2ka0 n LYS 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2ka0 s VAL 117 N -4.79 0.68 -0.29 3.15 0.11 -0.16 -3.86 120.40 115.24 2ka0 s VAL 117 Ca 0.00 -1.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.07 2ka0 s VAL 117 Cb 0.00 -0.69 0.06 0.00 -1.53 0.00 0.00 36.38 34.22 2ka0 s VAL 117 CO 0.00 -0.25 -0.05 0.00 -3.33 0.00 0.00 175.10 171.47 2ka0 s ALA 118 N -1.14 2.71 -0.17 1.54 0.00 0.29 -1.98 121.76 123.00 2ka0 s ALA 118 Ca -0.06 -1.88 -0.23 0.00 0.00 0.00 0.00 51.96 49.78 2ka0 s ALA 118 Cb -0.09 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 2ka0 s ALA 118 CO 0.01 -1.30 0.74 0.08 0.00 0.00 0.00 175.76 175.28 2ka0 s VAL 119 N 1.13 4.96 0.34 0.00 1.01 0.64 -1.62 120.40 126.85 2ka0 s VAL 119 Ca -0.05 1.44 0.07 0.00 0.00 0.00 0.00 61.98 63.44 2ka0 s VAL 119 Cb -0.20 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 2ka0 s VAL 119 CO -0.04 0.09 0.30 -0.13 0.00 0.00 0.00 175.10 175.32 2ka0 s ARG 120 N 1.88 1.80 0.01 2.72 0.52 -0.13 -1.83 118.95 123.94 2ka0 s ARG 120 Ca 0.34 -2.02 0.28 0.00 -0.52 0.00 0.00 55.73 53.82 2ka0 s ARG 120 Cb -0.16 0.34 1.12 0.00 0.52 0.00 0.00 34.95 36.76 2ka0 s ARG 120 CO 0.12 -0.68 1.85 1.19 0.02 0.00 0.00 175.30 177.81 2ka0 n PHE 121 N -0.64 0.06 -2.27 -0.53 3.72 -1.26 -1.03 117.46 115.52 2ka0 n PHE 121 Ca 0.07 0.02 -0.01 0.00 -0.05 0.00 0.00 57.45 57.48 2ka0 n PHE 121 Cb 0.62 -0.50 -0.01 0.00 -0.94 0.00 0.00 39.48 38.66 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 -1.52 -2.33 0.89 4.37 0.00 -1.26 -3.22 120.51 117.44 2ka0 n ALA 122 Ca 0.07 0.71 0.12 0.00 0.00 0.00 0.00 53.44 54.34 2ka0 n ALA 122 Cb 0.35 -1.80 0.24 0.00 0.00 0.00 0.00 19.45 18.24 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 1.66 0.53 0.00 0.00 3.41 -1.26 -4.85 113.62 113.10 2ka0 n SER 123 Ca -0.06 -0.15 0.05 0.00 -0.26 0.00 0.00 58.87 58.45 2ka0 n SER 123 Cb 0.09 0.23 0.30 0.00 -0.26 0.00 0.00 64.21 64.57 2ka0 n SER 123 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68