#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 3.20 -0.13 2.12 0.52 -1.26 -1.59 118.95 121.81 2ka0 s ARG 2 Ca 0.00 -0.94 -0.07 0.00 -0.52 0.00 0.00 55.73 54.21 2ka0 s ARG 2 Cb 0.00 -2.84 0.05 0.00 0.52 0.00 0.00 34.95 32.69 2ka0 s ARG 2 CO 0.00 0.15 0.31 0.08 0.02 0.00 0.00 175.30 175.86 2ka0 s VAL 3 N -2.13 -0.06 -0.15 3.52 1.01 -0.55 -3.92 120.40 118.12 2ka0 s VAL 3 Ca 0.42 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 2ka0 s VAL 3 Cb -0.09 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 2ka0 s VAL 3 CO 0.31 0.05 -0.08 -0.70 0.00 0.00 0.00 175.10 174.68 2ka0 s GLU 4 N 1.39 3.51 -0.61 2.72 2.12 0.53 -0.57 118.70 127.79 2ka0 s GLU 4 Ca -0.09 -0.61 -0.12 0.00 0.36 0.00 0.00 54.97 54.52 2ka0 s GLU 4 Cb -0.10 -2.78 0.16 0.00 0.26 0.00 0.00 34.13 31.66 2ka0 s GLU 4 CO -0.10 0.20 0.52 -0.51 -0.54 0.00 0.00 175.26 174.83 2ka0 s LEU 5 N 0.43 6.10 0.16 2.70 2.01 0.26 -0.18 118.68 130.17 2ka0 s LEU 5 Ca -0.07 -2.21 -0.21 0.00 0.01 0.00 0.00 54.13 51.66 2ka0 s LEU 5 Cb -0.15 -2.11 -0.08 0.00 0.01 0.00 0.00 46.19 43.86 2ka0 s LEU 5 CO 0.04 -0.67 0.68 -0.76 1.01 0.00 0.00 176.35 176.65 2ka0 s LEU 6 N 0.93 4.46 0.34 1.79 1.43 -0.96 -1.03 118.68 125.64 2ka0 s LEU 6 Ca 0.10 1.41 0.03 0.00 -1.03 0.00 0.00 54.13 54.64 2ka0 s LEU 6 Cb -0.22 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 2ka0 s LEU 6 CO -0.02 0.15 0.10 -0.36 0.23 0.00 0.00 176.35 176.44 2ka0 s PHE 7 N -1.32 1.80 0.34 0.29 0.40 0.09 -0.77 117.98 118.80 2ka0 s PHE 7 Ca 0.37 -1.15 0.20 0.00 -0.60 0.00 0.00 56.93 55.75 2ka0 s PHE 7 Cb -0.19 -1.14 1.00 0.00 0.51 0.00 0.00 43.02 43.20 2ka0 s PHE 7 CO 0.22 -0.21 1.91 0.93 0.70 0.00 0.00 175.22 178.77 2ka0 h GLU 8 N 2.05 0.00 -0.02 0.44 4.39 -1.50 -3.27 114.58 116.68 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 1.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2ka0 h GLU 8 CO 0.62 0.26 0.00 0.43 -1.16 0.00 0.00 179.01 179.16 2ka0 n SER 9 N -3.80 1.71 0.00 1.42 7.64 -1.26 -5.09 113.62 114.24 2ka0 n SER 9 Ca -0.01 -1.36 0.00 0.00 1.01 0.00 0.00 58.87 58.51 2ka0 n SER 9 Cb 0.36 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 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 0.44 -0.98 3.60 0.23 0.00 -1.23 -4.84 105.19 102.41 2ka0 n GLY 10 Ca 0.05 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.49 0.79 0.04 1.61 -2.85 -1.26 -0.73 119.74 116.84 2ka0 s LYS 11 Ca 0.00 0.61 -0.17 0.00 -1.00 0.00 0.00 55.97 55.41 2ka0 s LYS 11 Cb 0.00 0.38 0.03 0.00 -2.06 0.00 0.00 37.83 36.18 2ka0 s LYS 11 CO 0.00 -0.16 0.39 0.00 0.10 0.00 0.00 175.35 175.68 2ka0 s VAL 13 N -2.36 2.02 0.09 0.00 0.11 -0.52 0.89 120.40 120.65 2ka0 s VAL 13 Ca -0.06 -2.18 0.02 0.00 -2.93 0.00 0.00 61.98 56.83 2ka0 s VAL 13 Cb -0.01 -2.58 -0.04 0.00 -1.53 0.00 0.00 36.38 32.22 2ka0 s VAL 13 CO -0.02 -0.23 -0.07 0.27 -3.33 0.00 0.00 175.10 171.72 2ka0 s ILE 14 N -2.76 0.70 -0.06 7.04 -5.25 0.27 -3.43 121.20 117.70 2ka0 s ILE 14 Ca 0.31 -1.82 0.04 0.00 -0.99 0.00 0.00 60.65 58.20 2ka0 s ILE 14 Cb 0.03 -1.54 -0.00 0.00 2.95 0.00 0.00 42.46 43.90 2ka0 s ILE 14 CO 0.15 -0.80 -0.20 -0.62 -1.79 0.00 0.00 174.94 171.69 2ka0 s ASP 15 N -2.84 2.52 0.22 4.36 -1.08 0.58 -1.48 116.67 118.94 2ka0 s ASP 15 Ca 0.09 -0.43 0.11 0.00 -0.52 0.00 0.00 52.55 51.80 2ka0 s ASP 15 Cb 0.03 -0.89 -0.04 0.00 -1.46 0.00 0.00 42.92 40.56 2ka0 s ASP 15 CO -0.04 0.15 -0.15 -0.76 0.52 0.00 0.00 175.17 174.89 2ka0 s LEU 16 N 0.18 2.74 -0.27 -1.34 1.43 -0.62 -0.76 118.68 120.03 2ka0 s LEU 16 Ca -0.09 -0.79 -0.08 0.00 -1.03 0.00 0.00 54.13 52.14 2ka0 s LEU 16 Cb -0.14 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 2ka0 s LEU 16 CO 0.04 0.08 0.10 0.21 0.23 0.00 0.00 176.35 177.01 2ka0 s ASN 17 N -3.06 5.28 0.00 2.29 3.04 -1.02 -3.99 114.94 117.47 2ka0 s ASN 17 Ca 0.26 -0.36 0.00 0.00 0.04 0.00 0.00 52.86 52.80 2ka0 s ASN 17 Cb -0.07 -1.95 0.00 0.00 -1.54 0.00 0.00 41.25 37.69 2ka0 s ASN 17 CO 0.14 -0.10 0.05 -0.62 -3.04 0.00 0.00 177.10 173.53 2ka0 n GLU 18 N 4.94 0.08 -0.27 0.43 1.02 -1.26 -3.55 120.64 122.02 2ka0 n GLU 18 Ca -0.15 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.09 2ka0 n GLU 18 Cb 0.50 -1.03 0.25 0.00 -0.02 0.00 0.00 31.44 31.15 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 0.13 2.61 -5.09 3.49 1.02 -1.26 -4.77 120.64 116.77 2ka0 n GLU 19 Ca 0.00 -2.40 -0.28 0.00 -0.02 0.00 0.00 57.16 54.46 2ka0 n GLU 19 Cb 0.01 -1.49 -0.16 0.00 -0.02 0.00 0.00 31.44 29.79 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 -1.13 1.99 0.23 -0.32 2.02 -1.23 -5.03 117.35 113.88 2ka0 s TYR 20 Ca 0.40 -0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 56.64 2ka0 s TYR 20 Cb 0.22 -1.29 0.41 0.00 -0.40 0.00 0.00 41.96 40.91 2ka0 s TYR 20 CO 0.29 -0.05 1.69 1.49 -1.57 0.00 0.00 175.55 177.41 2ka0 h GLU 21 N 5.64 0.27 -0.02 -0.62 4.57 -1.94 0.00 114.58 122.48 2ka0 h GLU 21 Ca -0.39 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 57.77 2ka0 h GLU 21 Cb 1.14 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.66 2ka0 h GLU 21 CO 0.48 0.18 0.05 -0.24 -1.18 0.00 0.00 179.01 178.29 2ka0 h VAL 22 N 0.28 0.25 0.00 0.32 3.04 -1.96 0.26 116.25 118.44 2ka0 h VAL 22 Ca 0.39 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 66.06 2ka0 h VAL 22 Cb 0.63 0.96 -0.00 0.00 -2.01 0.00 0.00 31.29 30.87 2ka0 h VAL 22 CO -0.47 0.00 -0.12 0.58 -1.01 0.00 0.00 177.57 176.55 2ka0 h VAL 23 N 0.00 1.41 -0.17 1.51 2.07 -1.33 -1.01 116.25 118.73 2ka0 h VAL 23 Ca 0.01 -2.10 0.05 0.00 0.82 0.00 0.00 66.70 65.48 2ka0 h VAL 23 Cb 0.10 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 2ka0 h VAL 23 CO -0.00 0.48 0.15 0.11 0.02 0.00 0.00 177.57 178.33 2ka0 h LYS 24 N -1.00 0.00 0.04 1.57 1.57 -1.13 -0.05 116.57 117.58 2ka0 h LYS 24 Ca -0.03 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.41 2ka0 h LYS 24 Cb 0.86 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.13 2ka0 h LYS 24 CO -0.02 0.00 -2.01 1.28 -0.57 0.00 0.00 179.45 178.13 2ka0 n LEU 25 N -4.12 1.65 -0.09 2.94 4.77 0.00 -3.88 117.00 118.27 2ka0 n LEU 25 Ca 0.01 0.21 0.01 0.00 -0.03 0.00 0.00 56.01 56.21 2ka0 n LEU 25 Cb 0.28 -0.38 0.30 0.00 -2.33 0.00 0.00 43.42 41.29 2ka0 n LEU 25 CO 0.31 0.64 1.11 -0.07 -1.33 0.00 0.00 177.39 178.06 2ka0 h LEU 26 N 0.03 0.65 -1.60 2.23 3.38 -0.39 -2.60 115.31 117.00 2ka0 h LEU 26 Ca -0.41 -0.05 0.19 0.00 0.09 0.00 0.00 57.88 57.70 2ka0 h LEU 26 Cb 2.04 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 42.57 2ka0 h LEU 26 CO 0.05 0.54 0.56 0.50 0.09 0.00 0.00 178.44 180.19 2ka0 h LYS 27 N 0.74 0.34 0.00 1.13 3.11 -1.15 -0.52 116.57 120.22 2ka0 h LYS 27 Ca 0.19 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.01 2ka0 h LYS 27 Cb 0.05 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.20 2ka0 h LYS 27 CO -0.03 0.23 0.00 0.93 -2.81 0.00 0.00 179.45 177.77 2ka0 h GLU 28 N 0.35 0.00 0.00 1.90 4.39 -1.61 -3.30 114.58 116.31 2ka0 h GLU 28 Ca 0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.12 2ka0 h GLU 28 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2ka0 h GLU 28 CO -0.14 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.34 2ka0 n LYS 29 N -2.40 -0.65 -3.86 2.33 4.76 -0.21 -5.04 118.16 113.08 2ka0 n LYS 29 Ca 0.02 -0.57 -0.34 0.00 -2.87 0.00 0.00 58.31 54.56 2ka0 n LYS 29 Cb 0.26 -0.99 -0.05 0.00 -1.84 0.00 0.00 35.03 32.42 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 -0.08 5.40 0.80 -0.18 1.01 -1.16 -3.67 121.20 123.32 2ka0 s ILE 30 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.50 2ka0 s ILE 30 Cb 0.00 -3.54 0.08 0.00 0.01 0.00 0.00 42.46 39.01 2ka0 s ILE 30 CO 0.00 0.35 1.11 -2.16 0.00 0.00 0.00 174.94 174.24 2ka0 s PRO 31 N -1.83 1.98 0.09 2.79 0.04 -1.26 -4.98 135.00 131.83 2ka0 s PRO 31 Ca 0.27 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.49 2ka0 s PRO 31 Cb -0.13 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.57 2ka0 s PRO 31 CO 0.17 -1.87 0.24 -0.59 0.04 0.00 0.00 177.00 174.99 2ka0 s PHE 32 N -2.78 0.06 0.26 0.56 -0.71 -0.52 -5.00 117.98 109.84 2ka0 s PHE 32 Ca 0.63 -0.45 0.10 0.00 -1.04 0.00 0.00 56.93 56.17 2ka0 s PHE 32 Cb -0.19 0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.60 2ka0 s PHE 32 CO 0.55 -0.58 -0.05 -1.21 -1.34 0.00 0.00 175.22 172.59 2ka0 s GLU 33 N -3.79 2.14 0.27 1.99 2.02 -1.26 -0.77 118.70 119.31 2ka0 s GLU 33 Ca 0.04 -1.48 -0.21 0.00 0.02 0.00 0.00 54.97 53.34 2ka0 s GLU 33 Cb 0.04 -2.08 0.04 0.00 0.10 0.00 0.00 34.13 32.23 2ka0 s GLU 33 CO -0.11 0.36 0.81 0.45 0.02 0.00 0.00 175.26 176.79 2ka0 s SER 34 N -3.57 -0.16 -0.01 -0.19 0.15 -1.07 -4.99 113.70 103.86 2ka0 s SER 34 Ca 0.31 -0.69 -0.23 0.00 0.70 0.00 0.00 55.95 56.03 2ka0 s SER 34 Cb -0.06 0.69 -0.05 0.00 -1.71 0.00 0.00 66.02 64.89 2ka0 s SER 34 CO 0.18 -1.31 0.70 -0.69 1.20 0.00 0.00 173.24 173.33 2ka0 s VAL 35 N -3.31 4.89 -1.26 4.45 1.01 -1.26 -2.58 120.40 122.34 2ka0 s VAL 35 Ca 0.13 1.48 -0.11 0.00 0.00 0.00 0.00 61.98 63.48 2ka0 s VAL 35 Cb -0.05 -4.05 0.17 0.00 0.00 0.00 0.00 36.38 32.45 2ka0 s VAL 35 CO 0.07 0.33 1.75 0.52 0.00 0.00 0.00 175.10 177.77 2ka0 n VAL 36 N 3.16 4.30 -2.20 2.92 0.31 -1.26 -4.13 118.33 121.44 2ka0 n VAL 36 Ca -0.03 -4.48 -0.37 0.00 -0.01 0.00 0.00 64.34 59.46 2ka0 n VAL 36 Cb 0.51 -2.39 -0.00 0.00 -0.91 0.00 0.00 33.84 31.05 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 1.51 5.95 -0.04 4.52 0.01 -0.57 -2.53 114.94 123.79 2ka0 s ASN 37 Ca 0.41 2.33 0.05 0.00 -0.71 0.00 0.00 52.86 54.94 2ka0 s ASN 37 Cb 0.06 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 2ka0 s ASN 37 CO 0.00 -1.07 -0.21 0.42 -1.51 0.00 0.00 177.10 174.74 2ka0 s THR 38 N -1.57 1.69 -0.31 1.60 -4.23 -1.26 -1.55 115.64 110.01 2ka0 s THR 38 Ca 0.67 -0.87 -0.00 0.00 -1.18 0.00 0.00 61.69 60.30 2ka0 s THR 38 Cb -0.29 -1.44 0.13 0.00 1.34 0.00 0.00 72.50 72.25 2ka0 s THR 38 CO 0.34 0.48 0.26 0.86 -0.54 0.00 0.00 174.62 176.03 2ka0 s TRP 39 N -0.13 -0.11 -0.74 3.99 -0.00 -0.89 -5.00 118.94 116.06 2ka0 s TRP 39 Ca -0.02 -0.65 -0.06 0.00 -0.00 0.00 0.00 56.10 55.38 2ka0 s TRP 39 Cb -0.12 -0.61 0.01 0.00 -0.00 0.00 0.00 33.47 32.76 2ka0 s TRP 39 CO 0.02 -0.90 0.63 0.41 -0.00 0.00 0.00 176.95 177.11 2ka0 n GLY 40 N 4.92 -1.09 2.55 5.86 0.00 -1.26 -1.17 105.19 115.00 2ka0 n GLY 40 Ca 0.01 0.69 -0.21 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.02 -2.49 -4.36 1.61 1.02 -1.26 -3.78 120.64 109.36 2ka0 n GLU 41 Ca -0.21 0.96 -0.23 0.00 -0.02 0.00 0.00 57.16 57.66 2ka0 n GLU 41 Cb 0.65 -5.63 -0.11 0.00 -0.02 0.00 0.00 31.44 26.32 2ka0 n GLU 41 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2ka0 s GLU 42 N -5.19 1.34 0.08 3.49 2.12 -0.31 -3.50 118.70 116.73 2ka0 s GLU 42 Ca 0.08 -1.45 0.08 0.00 0.36 0.00 0.00 54.97 54.04 2ka0 s GLU 42 Cb -0.04 -1.46 -0.04 0.00 0.26 0.00 0.00 34.13 32.86 2ka0 s GLU 42 CO 0.10 0.30 -0.16 0.42 -0.54 0.00 0.00 175.26 175.38 2ka0 s ILE 43 N -1.99 2.94 0.21 -3.70 -1.09 -1.02 -2.10 121.20 114.45 2ka0 s ILE 43 Ca 0.17 -1.32 -0.06 0.00 -2.23 0.00 0.00 60.65 57.22 2ka0 s ILE 43 Cb -0.06 -2.31 -0.02 0.00 -1.58 0.00 0.00 42.46 38.48 2ka0 s ILE 43 CO 0.08 0.20 0.27 -0.72 -1.23 0.00 0.00 174.94 173.54 2ka0 s TYR 44 N -1.07 0.79 -0.01 3.97 1.13 -0.59 -0.36 117.35 121.20 2ka0 s TYR 44 Ca 0.17 -1.08 -0.08 0.00 -1.41 0.00 0.00 57.07 54.67 2ka0 s TYR 44 Cb -0.11 -0.24 0.01 0.00 -1.10 0.00 0.00 41.96 40.52 2ka0 s TYR 44 CO 0.09 -0.77 0.16 -0.59 -2.51 0.00 0.00 175.55 171.93 2ka0 s PHE 45 N -4.09 -0.02 -1.33 -3.49 -0.71 -1.26 -1.52 117.98 105.56 2ka0 s PHE 45 Ca 0.30 0.01 -0.17 0.00 -1.04 0.00 0.00 56.93 56.03 2ka0 s PHE 45 Cb 0.04 -0.01 0.06 0.00 -1.21 0.00 0.00 43.02 41.90 2ka0 s PHE 45 CO 0.09 -0.26 1.84 -1.13 -1.34 0.00 0.00 175.22 174.42 2ka0 n SER 46 N 1.69 4.72 -4.72 1.98 3.41 -1.26 -1.80 113.62 117.64 2ka0 n SER 46 Ca -0.21 -2.90 -0.37 0.00 -0.26 0.00 0.00 58.87 55.13 2ka0 n SER 46 Cb 0.56 -1.73 0.07 0.00 -0.26 0.00 0.00 64.21 62.85 2ka0 n SER 46 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2ka0 n THR 47 N 6.11 4.75 0.39 6.66 -2.24 -1.21 -4.88 114.28 123.86 2ka0 n THR 47 Ca 0.49 -0.48 0.09 0.00 -2.27 0.00 0.00 64.05 61.88 2ka0 n THR 47 Cb 0.45 -1.46 0.38 0.00 -2.10 0.00 0.00 70.33 67.59 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 -1.96 0.09 -3.47 -0.78 -0.04 -1.26 -4.69 135.00 122.88 2ka0 n PRO 48 Ca 0.16 0.37 -0.38 0.00 -0.04 0.00 0.00 63.50 63.61 2ka0 n PRO 48 Cb 0.48 -1.69 -0.09 0.00 -0.04 0.00 0.00 33.50 32.17 2ka0 n PRO 48 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ka0 s VAL 49 N -3.17 5.24 -0.14 0.52 1.01 -1.26 -4.98 120.40 117.62 2ka0 s VAL 49 Ca 0.05 0.48 0.17 0.00 0.00 0.00 0.00 61.98 62.67 2ka0 s VAL 49 Cb 0.08 -3.64 0.43 0.00 0.00 0.00 0.00 36.38 33.25 2ka0 s VAL 49 CO 0.29 0.24 1.20 -0.46 0.00 0.00 0.00 175.10 176.36 2ka0 n ASN 50 N 4.83 1.59 -4.77 3.32 0.23 -1.26 -4.70 115.26 114.50 2ka0 n ASN 50 Ca -0.10 -3.13 -0.30 0.00 -0.53 0.00 0.00 54.58 50.51 2ka0 n ASN 50 Cb 0.51 -0.43 0.11 0.00 -2.08 0.00 0.00 39.78 37.89 2ka0 n ASN 50 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 2ka0 s VAL 51 N -2.11 2.95 -0.09 3.53 -7.23 -1.26 -5.02 120.40 111.17 2ka0 s VAL 51 Ca 0.37 0.31 0.25 0.00 -1.81 0.00 0.00 61.98 61.09 2ka0 s VAL 51 Cb 0.38 -2.94 0.46 0.00 0.56 0.00 0.00 36.38 34.84 2ka0 s VAL 51 CO -0.10 -0.40 1.15 0.00 -0.31 0.00 0.00 175.10 175.44 2ka0 n GLN 52 N -3.60 0.60 -3.13 4.82 6.02 -1.26 -4.74 117.38 116.08 2ka0 n GLN 52 Ca 0.07 -2.51 -0.33 0.00 -0.01 0.00 0.00 57.00 54.22 2ka0 n GLN 52 Cb 0.56 -0.55 -0.06 0.00 1.02 0.00 0.00 30.24 31.21 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 -1.28 4.06 0.09 -1.09 2.20 -1.26 -5.11 119.74 117.35 2ka0 s LYS 53 Ca 0.32 0.71 -0.12 0.00 -0.36 0.00 0.00 55.97 56.52 2ka0 s LYS 53 Cb 0.37 -2.54 0.02 0.00 -1.51 0.00 0.00 37.83 34.16 2ka0 s LYS 53 CO -0.13 0.22 0.29 0.00 -0.36 0.00 0.00 175.35 175.37 2ka0 s MET 54 N -2.74 0.91 0.00 4.03 0.23 -1.26 -4.93 119.30 115.54 2ka0 s MET 54 Ca 0.51 -0.76 0.00 0.00 -1.03 0.00 0.00 55.69 54.41 2ka0 s MET 54 Cb -0.12 0.39 0.00 0.00 -1.53 0.00 0.00 34.83 33.57 2ka0 s MET 54 CO 0.18 -0.31 0.00 0.39 -2.03 0.00 0.00 175.02 173.25 2ka0 n GLU 55 N 0.05 3.99 -2.76 3.16 -0.58 -1.26 -4.89 120.64 118.36 2ka0 n GLU 55 Ca -0.16 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.29 2ka0 n GLU 55 Cb 0.62 -0.65 -0.02 0.00 -0.57 0.00 0.00 31.44 30.82 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 -0.48 4.93 -4.74 1.62 5.15 -1.26 -5.08 115.26 115.39 2ka0 n ASN 56 Ca 0.00 -3.70 -0.41 0.00 -0.60 0.00 0.00 54.58 49.86 2ka0 n ASN 56 Cb 0.01 -0.61 -0.03 0.00 -0.53 0.00 0.00 39.78 38.63 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 -3.60 4.30 0.21 1.20 0.04 -1.26 -2.73 135.00 133.16 2ka0 s PRO 57 Ca 0.48 2.22 -0.00 0.00 0.04 0.00 0.00 61.00 63.74 2ka0 s PRO 57 Cb 0.31 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 2ka0 s PRO 57 CO -0.16 -0.38 0.12 -0.98 0.04 0.00 0.00 177.00 175.63 2ka0 s ARG 58 N -0.18 1.24 0.00 4.56 1.70 -0.46 -4.99 118.95 120.82 2ka0 s ARG 58 Ca 0.59 -1.65 0.00 0.00 -0.47 0.00 0.00 55.73 54.20 2ka0 s ARG 58 Cb -0.40 0.13 0.00 0.00 -0.57 0.00 0.00 34.95 34.11 2ka0 s ARG 58 CO 0.41 -0.36 0.89 0.39 -1.08 0.00 0.00 175.30 175.55 2ka0 n GLU 59 N -0.31 2.30 -3.15 3.89 1.02 -1.26 -2.45 120.64 120.68 2ka0 n GLU 59 Ca 0.01 -1.28 0.04 0.00 -0.02 0.00 0.00 57.16 55.91 2ka0 n GLU 59 Cb 0.66 -0.93 -0.00 0.00 -0.02 0.00 0.00 31.44 31.15 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 -0.79 -1.00 0.47 2.62 0.11 -1.26 -4.03 120.40 116.52 2ka0 s VAL 60 Ca 0.00 -0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.13 2ka0 s VAL 60 Cb 0.00 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.93 2ka0 s VAL 60 CO 0.00 -0.00 0.65 1.33 -3.33 0.00 0.00 175.10 173.75 2ka0 n VAL 61 N 5.42 0.00 -2.47 2.04 0.24 -0.03 -4.93 118.33 118.60 2ka0 n VAL 61 Ca 0.04 -1.59 -0.23 0.00 -2.04 0.00 0.00 64.34 60.52 2ka0 n VAL 61 Cb 0.54 -0.60 0.07 0.00 -1.47 0.00 0.00 33.84 32.38 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 -4.15 2.18 0.00 7.34 2.02 -1.26 -4.38 118.70 120.45 2ka0 s GLU 62 Ca 0.49 -0.68 0.15 0.00 0.02 0.00 0.00 54.97 54.95 2ka0 s GLU 62 Cb -0.04 -2.33 0.65 0.00 0.10 0.00 0.00 34.13 32.51 2ka0 s GLU 62 CO 0.31 -1.10 1.47 -0.89 0.02 0.00 0.00 175.26 175.08 2ka0 n ILE 63 N -2.68 0.93 -2.25 -1.63 5.41 -1.26 -3.33 119.36 114.56 2ka0 n ILE 63 Ca 0.10 0.23 0.01 0.00 1.00 0.00 0.00 62.75 64.09 2ka0 n ILE 63 Cb 0.60 -0.98 0.00 0.00 -0.71 0.00 0.00 39.64 38.55 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 0.03 0.79 0.00 7.39 0.00 -1.26 -3.92 105.19 108.22 2ka0 n GLY 64 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2ka0 n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ka0 n ASP 65 N 0.25 0.00 -3.95 1.61 8.00 -1.21 -1.62 116.55 119.63 2ka0 n ASP 65 Ca -0.01 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.32 2ka0 n ASP 65 Cb 0.91 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.92 2ka0 n ASP 65 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ka0 s VAL 66 N 0.38 0.19 0.04 2.53 1.01 -0.97 -2.00 120.40 121.58 2ka0 s VAL 66 Ca 0.00 -2.00 -0.07 0.00 0.00 0.00 0.00 61.98 59.91 2ka0 s VAL 66 Cb 0.00 -2.51 -0.00 0.00 0.00 0.00 0.00 36.38 33.86 2ka0 s VAL 66 CO 0.00 0.00 0.14 -0.83 0.00 0.00 0.00 175.10 174.41 2ka0 s GLY 67 N -3.31 0.11 0.38 4.51 0.00 -1.21 -4.56 107.32 103.23 2ka0 s GLY 67 Ca 0.38 -0.40 -0.17 0.00 0.00 0.00 0.00 44.72 44.52 2ka0 s GLY 67 CO 0.18 -0.56 0.83 -2.52 0.00 0.00 0.00 173.10 171.03 2ka0 s TYR 68 N -2.48 3.35 -0.56 1.90 1.13 -1.25 -1.17 117.35 118.27 2ka0 s TYR 68 Ca -0.06 1.38 0.04 0.00 -1.41 0.00 0.00 57.07 57.03 2ka0 s TYR 68 Cb -0.02 -2.67 0.14 0.00 -1.10 0.00 0.00 41.96 38.31 2ka0 s TYR 68 CO -0.04 -0.01 0.31 -0.46 -2.51 0.00 0.00 175.55 172.84 2ka0 s TRP 69 N -2.10 3.27 0.24 -3.49 -0.00 -0.35 -4.23 118.94 112.28 2ka0 s TRP 69 Ca 0.58 -3.22 -0.05 0.00 -0.00 0.00 0.00 56.10 53.41 2ka0 s TRP 69 Cb -0.10 -2.80 0.39 0.00 -0.00 0.00 0.00 33.47 30.96 2ka0 s TRP 69 CO 0.16 -0.70 1.77 -1.00 -0.00 0.00 0.00 176.95 177.19 2ka0 h PRO 70 N 6.25 0.59 0.00 5.86 0.13 -1.85 -1.60 132.00 141.38 2ka0 h PRO 70 Ca -0.03 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2ka0 h PRO 70 Cb 0.86 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2ka0 h PRO 70 CO 0.70 0.39 0.00 -0.35 -0.23 0.00 0.00 178.00 178.50 2ka0 n PRO 71 N -4.87 0.67 0.00 1.56 -0.04 -1.26 -1.14 135.00 129.92 2ka0 n PRO 71 Ca 0.13 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2ka0 n PRO 71 Cb 0.32 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 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 0.60 -0.15 3.06 0.55 0.00 -1.26 -5.07 105.19 102.93 2ka0 n GLY 72 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.13 -2.11 -3.99 1.61 4.01 -0.29 -5.00 118.16 112.26 2ka0 n LYS 73 Ca 0.00 1.84 -0.12 0.00 -0.51 0.00 0.00 58.31 59.52 2ka0 n LYS 73 Cb 0.26 -4.80 -0.02 0.00 -0.51 0.00 0.00 35.03 29.95 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 -2.45 0.13 0.58 7.82 0.00 -0.60 -3.31 121.76 123.93 2ka0 s ALA 74 Ca 0.23 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 2ka0 s ALA 74 Cb -0.05 1.00 0.05 0.00 0.00 0.00 0.00 23.12 24.12 2ka0 s ALA 74 CO 0.80 -0.86 0.30 -0.11 0.00 0.00 0.00 175.76 175.89 2ka0 n LEU 75 N -0.52 0.00 -3.83 0.00 7.94 -0.75 -1.21 117.00 118.63 2ka0 n LEU 75 Ca -0.02 -0.57 -0.12 0.00 -1.11 0.00 0.00 56.01 54.19 2ka0 n LEU 75 Cb 0.61 -0.21 -0.09 0.00 0.53 0.00 0.00 43.42 44.26 2ka0 n LEU 75 CO 0.27 -0.66 -0.09 0.00 -1.11 0.00 0.00 177.39 175.80 2ka0 s LEU 77 N -1.54 1.99 0.03 0.00 1.43 0.51 -3.29 118.68 117.82 2ka0 s LEU 77 Ca -0.12 -1.93 -0.28 0.00 -1.03 0.00 0.00 54.13 50.77 2ka0 s LEU 77 Cb -0.05 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 2ka0 s LEU 77 CO 0.01 -0.37 0.88 -0.36 0.23 0.00 0.00 176.35 176.75 2ka0 s PHE 78 N 1.27 3.70 0.00 0.29 0.08 -1.26 -2.42 117.98 119.64 2ka0 s PHE 78 Ca 0.13 1.60 0.00 0.00 0.12 0.00 0.00 56.93 58.78 2ka0 s PHE 78 Cb -0.20 -2.99 0.00 0.00 -0.57 0.00 0.00 43.02 39.26 2ka0 s PHE 78 CO -0.16 0.12 0.62 1.97 -0.10 0.00 0.00 175.22 177.66 2ka0 n PHE 79 N 3.38 0.00 0.00 0.36 1.16 -1.23 -4.16 117.46 116.97 2ka0 n PHE 79 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.60 2ka0 n PHE 79 Cb 0.50 0.06 0.00 0.00 -1.61 0.00 0.00 39.48 38.43 2ka0 n PHE 79 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2ka0 n GLY 80 N 0.00 -0.83 0.00 4.97 0.00 -1.26 -5.00 105.19 103.07 2ka0 n GLY 80 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.75 0.96 -1.36 1.61 4.81 -1.26 -4.85 118.16 117.32 2ka0 n LYS 81 Ca 0.00 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 57.60 2ka0 n LYS 81 Cb 0.00 -0.08 -0.07 0.00 0.02 0.00 0.00 35.03 34.90 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 0.00 -0.29 1.58 3.15 -2.24 -1.25 -4.52 114.28 110.72 2ka0 n THR 82 Ca 0.00 0.58 0.14 0.00 -2.27 0.00 0.00 64.05 62.50 2ka0 n THR 82 Cb 0.00 -1.01 0.62 0.00 -2.10 0.00 0.00 70.33 67.84 2ka0 n THR 82 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2ka0 n PRO 83 N -4.12 1.31 -1.69 -0.78 -0.04 -1.25 -4.34 135.00 124.08 2ka0 n PRO 83 Ca -0.05 -0.60 -0.27 0.00 -0.04 0.00 0.00 63.50 62.54 2ka0 n PRO 83 Cb 0.65 -1.49 0.05 0.00 -0.04 0.00 0.00 33.50 32.68 2ka0 n PRO 83 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2ka0 n MET 84 N -0.32 3.17 -4.37 0.54 2.81 -1.26 -4.96 117.12 112.72 2ka0 n MET 84 Ca 0.19 -3.79 -0.22 0.00 -1.81 0.00 0.00 57.70 52.08 2ka0 n MET 84 Cb 0.29 -2.26 -0.08 0.00 -0.71 0.00 0.00 33.22 30.46 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 -2.88 2.09 0.00 7.83 1.04 -1.26 -4.72 113.70 115.80 2ka0 s SER 85 Ca 0.56 -1.73 0.00 0.00 0.48 0.00 0.00 55.95 55.26 2ka0 s SER 85 Cb 0.45 0.55 0.00 0.00 0.10 0.00 0.00 66.02 67.12 2ka0 s SER 85 CO 0.02 -1.02 0.00 -0.67 0.98 0.00 0.00 173.24 172.55 2ka0 n ASP 86 N -1.46 0.07 -0.00 7.02 2.03 -1.26 -4.99 116.55 117.96 2ka0 n ASP 86 Ca 0.02 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.34 2ka0 n ASP 86 Cb 0.63 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 41.03 2ka0 n ASP 86 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2ka0 n ASP 87 N -2.33 1.64 -3.61 1.67 2.03 -1.26 -5.08 116.55 109.61 2ka0 n ASP 87 Ca 0.00 -0.35 -0.06 0.00 0.52 0.00 0.00 54.79 54.91 2ka0 n ASP 87 Cb 0.04 1.02 -0.02 0.00 -0.72 0.00 0.00 41.12 41.44 2ka0 n ASP 87 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2ka0 s LYS 88 N -1.43 0.93 -1.32 -0.67 -2.85 -1.26 -5.08 119.74 108.06 2ka0 s LYS 88 Ca 0.00 -0.43 -0.16 0.00 -1.00 0.00 0.00 55.97 54.37 2ka0 s LYS 88 Cb 0.01 0.37 0.08 0.00 -2.06 0.00 0.00 37.83 36.23 2ka0 s LYS 88 CO 0.05 -0.42 1.80 -0.89 0.10 0.00 0.00 175.35 175.99 2ka0 n ILE 89 N -0.34 3.91 -2.27 3.79 -0.00 -1.26 -4.74 119.36 118.44 2ka0 n ILE 89 Ca -0.07 -3.98 -0.38 0.00 -0.00 0.00 0.00 62.75 58.31 2ka0 n ILE 89 Cb 0.61 -2.42 -0.02 0.00 -0.00 0.00 0.00 39.64 37.82 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 3.52 3.96 0.48 0.38 -0.21 -1.26 -0.85 119.66 125.67 2ka0 s GLN 90 Ca 0.51 1.84 -0.08 0.00 0.02 0.00 0.00 55.36 57.64 2ka0 s GLN 90 Cb 0.05 -2.60 0.11 0.00 1.00 0.00 0.00 33.01 31.58 2ka0 s GLN 90 CO 0.03 -0.40 0.58 -0.35 -2.12 0.00 0.00 175.29 173.03 2ka0 n PRO 91 N -0.09 -0.94 0.02 2.91 -0.04 -1.26 -4.72 135.00 130.88 2ka0 n PRO 91 Ca 0.05 -0.90 0.13 0.00 -0.04 0.00 0.00 63.50 62.74 2ka0 n PRO 91 Cb 0.47 -0.66 0.36 0.00 -0.04 0.00 0.00 33.50 33.63 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 -3.51 2.93 -3.76 0.55 0.00 -1.26 -4.92 120.51 110.54 2ka0 n ALA 92 Ca -0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 53.44 53.09 2ka0 n ALA 92 Cb 0.26 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 2ka0 n ALA 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ka0 s SER 93 N -3.42 -0.17 -0.57 0.00 0.15 -1.26 -5.09 113.70 103.34 2ka0 s SER 93 Ca 0.11 -0.42 -0.26 0.00 0.70 0.00 0.00 55.95 56.07 2ka0 s SER 93 Cb 0.17 0.50 -0.09 0.00 -1.71 0.00 0.00 66.02 64.88 2ka0 s SER 93 CO 0.64 -0.93 2.43 0.00 1.20 0.00 0.00 173.24 176.59 2ka0 n ALA 94 N -0.48 0.69 -2.12 5.45 0.00 -1.26 -4.93 120.51 117.86 2ka0 n ALA 94 Ca -0.06 -0.97 -0.20 0.00 0.00 0.00 0.00 53.44 52.21 2ka0 n ALA 94 Cb 0.61 -3.16 0.16 0.00 0.00 0.00 0.00 19.45 17.05 2ka0 n ALA 94 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2ka0 n VAL 95 N 8.06 0.00 -3.87 0.00 0.24 -1.02 -4.82 118.33 116.92 2ka0 n VAL 95 Ca 0.41 -1.10 -0.26 0.00 -2.04 0.00 0.00 64.34 61.35 2ka0 n VAL 95 Cb 0.50 -1.32 -0.17 0.00 -1.47 0.00 0.00 33.84 31.38 2ka0 n VAL 95 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2ka0 s ASN 96 N -5.13 2.18 0.00 -1.34 2.47 -1.26 -1.35 114.94 110.51 2ka0 s ASN 96 Ca 0.65 -0.33 -0.04 0.00 0.42 0.00 0.00 52.86 53.56 2ka0 s ASN 96 Cb -0.02 -0.76 -0.17 0.00 -1.45 0.00 0.00 41.25 38.85 2ka0 s ASN 96 CO 0.45 -0.15 2.74 0.52 -3.72 0.00 0.00 177.10 176.94 2ka0 n VAL 97 N 4.98 2.29 0.21 -5.21 0.31 -1.11 -3.85 118.33 115.95 2ka0 n VAL 97 Ca -0.11 -1.04 0.13 0.00 -0.01 0.00 0.00 64.34 63.31 2ka0 n VAL 97 Cb 0.50 -1.79 0.72 0.00 -0.91 0.00 0.00 33.84 32.35 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 1.90 0.81 -2.95 2.52 3.07 -1.88 -3.45 117.51 117.54 2ka0 h ILE 98 Ca 0.12 0.00 -0.45 0.00 1.55 0.00 0.00 64.86 66.08 2ka0 h ILE 98 Cb 1.16 0.93 -0.14 0.00 -0.27 0.00 0.00 36.82 38.50 2ka0 h ILE 98 CO 0.20 0.00 -0.63 -0.83 -1.05 0.00 0.00 178.15 175.84 2ka0 s GLY 99 N -4.06 1.91 -0.05 0.16 0.00 -1.26 -2.44 107.32 101.58 2ka0 s GLY 99 Ca -0.05 -1.96 -0.02 0.00 0.00 0.00 0.00 44.72 42.69 2ka0 s GLY 99 CO 0.65 -1.78 0.10 1.25 0.00 0.00 0.00 173.10 173.31 2ka0 s LYS 100 N -3.86 0.03 -0.47 2.90 2.47 0.06 -2.28 119.74 118.58 2ka0 s LYS 100 Ca 0.34 0.31 -0.27 0.00 -1.56 0.00 0.00 55.97 54.79 2ka0 s LYS 100 Cb 0.07 -0.23 -0.04 0.00 -1.46 0.00 0.00 37.83 36.17 2ka0 s LYS 100 CO 0.13 -0.18 2.07 0.42 0.16 0.00 0.00 175.35 177.95 2ka0 s ILE 101 N 1.24 3.22 -0.05 5.43 1.01 -0.64 -0.31 121.20 131.10 2ka0 s ILE 101 Ca -0.08 0.17 -0.07 0.00 0.00 0.00 0.00 60.65 60.67 2ka0 s ILE 101 Cb -0.12 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2ka0 s ILE 101 CO -0.05 -0.40 0.33 -0.37 0.00 0.00 0.00 174.94 174.45 2ka0 h VAL 102 N 7.17 0.00 -2.43 2.92 -1.51 -1.81 -3.44 116.25 117.15 2ka0 h VAL 102 Ca -0.29 -0.63 -0.58 0.00 -1.23 0.00 0.00 66.70 63.98 2ka0 h VAL 102 Cb 1.21 0.00 -0.11 0.00 -2.13 0.00 0.00 31.29 30.26 2ka0 h VAL 102 CO 1.13 0.00 -0.66 -1.61 -1.23 0.00 0.00 177.57 175.20 2ka0 s GLU 103 N -2.34 2.26 0.00 5.19 2.02 -1.24 -4.85 118.70 119.73 2ka0 s GLU 103 Ca -0.04 -1.35 0.00 0.00 0.02 0.00 0.00 54.97 53.60 2ka0 s GLU 103 Cb 0.00 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 32.05 2ka0 s GLU 103 CO 0.11 0.39 0.00 0.41 0.02 0.00 0.00 175.26 176.19 2ka0 n GLY 104 N -0.63 0.80 0.01 -1.39 0.00 -1.26 -1.43 105.19 101.28 2ka0 n GLY 104 Ca -0.08 -0.50 0.04 0.00 0.00 0.00 0.00 46.02 45.48 2ka0 n GLY 104 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ka0 n LEU 105 N -0.81 0.00 -0.06 0.99 7.94 -1.26 -4.58 117.00 119.22 2ka0 n LEU 105 Ca 0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.83 2ka0 n LEU 105 Cb 0.28 0.01 -0.08 0.00 0.53 0.00 0.00 43.42 44.17 2ka0 n LEU 105 CO 0.00 0.01 -0.89 -0.62 -1.11 0.00 0.00 177.39 174.78 2ka0 n GLU 106 N -1.82 1.62 0.00 1.96 1.02 -1.26 -4.45 120.64 117.72 2ka0 n GLU 106 Ca -0.02 0.02 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 2ka0 n GLU 106 Cb 0.25 -1.28 0.48 0.00 -0.02 0.00 0.00 31.44 30.86 2ka0 n GLU 106 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2ka0 n ASP 107 N -2.57 0.00 0.26 1.62 9.92 -1.26 -2.45 116.55 122.07 2ka0 n ASP 107 Ca -0.20 0.50 0.15 0.00 -0.53 0.00 0.00 54.79 54.71 2ka0 n ASP 107 Cb 0.83 -0.50 0.55 0.00 -0.64 0.00 0.00 41.12 41.36 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 0.00 -1.39 0.64 3.38 -1.81 -3.23 115.31 112.90 2ka0 h LEU 108 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2ka0 h LEU 108 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2ka0 h LEU 108 CO 0.00 0.04 -0.17 0.11 0.09 0.00 0.00 178.44 178.51 2ka0 h LYS 109 N 0.00 0.19 -0.70 1.13 1.79 -1.76 -3.09 116.57 114.13 2ka0 h LYS 109 Ca -0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2ka0 h LYS 109 Cb 0.65 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2ka0 h LYS 109 CO 0.01 0.37 0.00 0.36 -1.08 0.00 0.00 179.45 179.10 2ka0 n LYS 110 N -4.25 2.70 -2.23 3.15 2.85 -1.22 -4.98 118.16 114.19 2ka0 n LYS 110 Ca -0.01 -2.54 -0.29 0.00 -1.05 0.00 0.00 58.31 54.42 2ka0 n LYS 110 Cb 0.29 -1.57 0.00 0.00 -0.65 0.00 0.00 35.03 33.10 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 -1.12 4.80 0.49 0.58 -1.09 -1.17 -4.91 121.20 118.77 2ka0 s ILE 111 Ca 0.47 0.57 0.07 0.00 -2.23 0.00 0.00 60.65 59.53 2ka0 s ILE 111 Cb 0.25 -3.87 0.01 0.00 -1.58 0.00 0.00 42.46 37.27 2ka0 s ILE 111 CO 0.31 -1.01 0.40 -0.54 -1.23 0.00 0.00 174.94 172.87 2ka0 s LYS 112 N -4.97 2.35 0.00 2.79 -0.14 -1.26 -5.02 119.74 113.49 2ka0 s LYS 112 Ca 0.51 -1.80 0.00 0.00 -1.36 0.00 0.00 55.97 53.32 2ka0 s LYS 112 Cb -0.11 -2.22 0.00 0.00 -1.68 0.00 0.00 37.83 33.82 2ka0 s LYS 112 CO 0.50 -0.43 0.34 -3.47 -0.76 0.00 0.00 175.35 171.53 2ka0 n ASP 113 N -1.66 0.33 -2.65 2.83 2.03 -1.25 -3.86 116.55 112.31 2ka0 n ASP 113 Ca 0.01 -1.01 -0.03 0.00 0.52 0.00 0.00 54.79 54.29 2ka0 n ASP 113 Cb 0.63 -0.16 0.10 0.00 -0.72 0.00 0.00 41.12 40.97 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 0.16 -1.96 1.71 0.27 0.00 -1.05 -4.23 105.19 100.09 2ka0 n GLY 114 Ca 0.00 1.08 -0.06 0.00 0.00 0.00 0.00 46.02 47.04 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 1.02 2.90 -3.61 1.61 -0.58 -1.25 -4.81 120.64 115.92 2ka0 n GLU 115 Ca -0.04 -2.26 -0.23 0.00 -0.42 0.00 0.00 57.16 54.22 2ka0 n GLU 115 Cb 0.74 -1.96 0.01 0.00 -0.57 0.00 0.00 31.44 29.66 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 -0.12 -1.61 -2.12 3.49 5.02 -1.26 -1.40 118.16 120.16 2ka0 n LYS 116 Ca 0.32 1.02 -0.42 0.00 -2.02 0.00 0.00 58.31 57.21 2ka0 n LYS 116 Cb 1.15 -2.88 -0.03 0.00 -0.02 0.00 0.00 35.03 33.26 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 -2.73 3.78 -0.57 -0.18 0.11 -1.07 -4.65 120.40 115.09 2ka0 s VAL 117 Ca 0.07 0.94 -0.22 0.00 -2.93 0.00 0.00 61.98 59.84 2ka0 s VAL 117 Cb -0.01 -3.61 0.06 0.00 -1.53 0.00 0.00 36.38 31.29 2ka0 s VAL 117 CO 0.87 -0.08 0.85 0.00 -3.33 0.00 0.00 175.10 173.40 2ka0 s ALA 118 N 3.89 3.23 -0.01 1.54 0.00 0.05 -2.59 121.76 127.86 2ka0 s ALA 118 Ca 0.68 -1.62 -0.30 0.00 0.00 0.00 0.00 51.96 50.72 2ka0 s ALA 118 Cb -0.30 -3.65 -0.05 0.00 0.00 0.00 0.00 23.12 19.12 2ka0 s ALA 118 CO 0.25 -2.40 1.32 0.08 0.00 0.00 0.00 175.76 175.02 2ka0 s VAL 119 N 3.54 3.89 0.22 0.00 1.01 0.05 -2.25 120.40 126.86 2ka0 s VAL 119 Ca 0.23 1.27 0.04 0.00 0.00 0.00 0.00 61.98 63.52 2ka0 s VAL 119 Cb -0.16 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 2ka0 s VAL 119 CO 0.14 0.01 0.14 0.54 0.00 0.00 0.00 175.10 175.93 2ka0 n ARG 120 N 5.15 0.42 -0.20 2.72 1.74 0.75 -1.44 116.66 125.81 2ka0 n ARG 120 Ca 0.12 -2.09 0.08 0.00 -0.77 0.00 0.00 57.85 55.19 2ka0 n ARG 120 Cb 0.45 1.49 0.22 0.00 -1.02 0.00 0.00 32.46 33.60 2ka0 n ARG 120 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2ka0 n PHE 121 N -0.46 0.51 -2.25 -1.55 3.72 -1.26 -0.35 117.46 115.83 2ka0 n PHE 121 Ca 0.02 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 2ka0 n PHE 121 Cb 0.38 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 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 0.73 -1.77 0.33 4.37 0.00 -1.25 -3.98 120.51 118.94 2ka0 n ALA 122 Ca 0.15 0.39 0.14 0.00 0.00 0.00 0.00 53.44 54.12 2ka0 n ALA 122 Cb 0.37 -1.27 0.60 0.00 0.00 0.00 0.00 19.45 19.15 2ka0 n ALA 122 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2ka0 h SER 123 N 4.25 0.00 0.00 0.00 0.87 -1.96 -3.47 113.55 113.24 2ka0 h SER 123 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2ka0 h SER 123 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2ka0 h SER 123 CO 0.00 0.00 0.00 -0.24 -0.53 0.00 0.00 176.83 176.06