#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 3.23 -0.06 2.12 0.52 -1.26 -2.19 118.95 121.32 2ka0 s ARG 2 Ca 0.00 1.82 -0.17 0.00 -0.52 0.00 0.00 55.73 56.85 2ka0 s ARG 2 Cb 0.00 -2.08 0.03 0.00 0.52 0.00 0.00 34.95 33.43 2ka0 s ARG 2 CO 0.00 -0.99 0.39 0.08 0.02 0.00 0.00 175.30 174.80 2ka0 s VAL 3 N -1.59 0.03 -0.02 3.52 1.01 0.05 -4.37 120.40 119.03 2ka0 s VAL 3 Ca 0.73 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.45 2ka0 s VAL 3 Cb -0.30 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.43 2ka0 s VAL 3 CO 0.34 -0.15 -0.06 -0.70 0.00 0.00 0.00 175.10 174.52 2ka0 s GLU 4 N -0.88 0.64 -0.35 2.72 2.12 0.32 -0.39 118.70 122.88 2ka0 s GLU 4 Ca -0.09 -0.20 0.03 0.00 0.36 0.00 0.00 54.97 55.06 2ka0 s GLU 4 Cb -0.04 -0.64 0.10 0.00 0.26 0.00 0.00 34.13 33.82 2ka0 s GLU 4 CO 0.04 0.08 0.08 -0.51 -0.54 0.00 0.00 175.26 174.40 2ka0 s LEU 5 N 0.18 4.83 -0.62 2.70 1.02 -0.07 -0.24 118.68 126.48 2ka0 s LEU 5 Ca -0.02 -2.11 -0.21 0.00 0.02 0.00 0.00 54.13 51.81 2ka0 s LEU 5 Cb -0.07 -1.67 0.08 0.00 0.02 0.00 0.00 46.19 44.56 2ka0 s LEU 5 CO -0.00 -0.41 0.83 -0.76 0.02 0.00 0.00 176.35 176.03 2ka0 s LEU 6 N 0.96 4.85 0.92 1.79 1.43 0.05 -1.60 118.68 127.08 2ka0 s LEU 6 Ca 0.10 -1.17 -0.15 0.00 -1.03 0.00 0.00 54.13 51.88 2ka0 s LEU 6 Cb -0.20 -2.38 0.17 0.00 0.03 0.00 0.00 46.19 43.81 2ka0 s LEU 6 CO -0.07 -1.27 1.27 -0.36 0.23 0.00 0.00 176.35 176.16 2ka0 s PHE 7 N 3.38 1.98 0.23 0.29 0.40 -0.36 -0.46 117.98 123.44 2ka0 s PHE 7 Ca 0.17 0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 56.95 2ka0 s PHE 7 Cb -0.20 -3.92 0.24 0.00 0.51 0.00 0.00 43.02 39.66 2ka0 s PHE 7 CO 0.09 -2.42 1.61 0.93 0.70 0.00 0.00 175.22 176.13 2ka0 h GLU 8 N -1.49 0.54 0.00 0.44 5.08 -1.25 -3.35 114.58 114.55 2ka0 h GLU 8 Ca -0.45 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 57.64 2ka0 h GLU 8 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2ka0 h GLU 8 CO 0.46 0.84 -0.84 0.43 -1.00 0.00 0.00 179.01 178.91 2ka0 n SER 9 N -4.04 0.65 -0.71 1.42 7.64 -1.26 -5.03 113.62 112.30 2ka0 n SER 9 Ca -0.02 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2ka0 n SER 9 Cb 0.50 0.49 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 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 1.35 0.90 3.43 0.23 0.00 -1.26 -4.97 105.19 104.87 2ka0 n GLY 10 Ca 0.02 -0.78 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 2ka0 n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ka0 s LYS 11 N -1.12 0.80 0.31 1.61 -2.85 -1.26 -1.22 119.74 116.01 2ka0 s LYS 11 Ca 0.00 0.37 0.06 0.00 -1.00 0.00 0.00 55.97 55.40 2ka0 s LYS 11 Cb 0.00 0.38 -0.06 0.00 -2.06 0.00 0.00 37.83 36.09 2ka0 s LYS 11 CO 0.00 -0.19 -0.03 0.00 0.10 0.00 0.00 175.35 175.22 2ka0 s VAL 13 N -2.99 -0.18 0.28 0.00 1.01 -0.15 -0.89 120.40 117.48 2ka0 s VAL 13 Ca 0.32 -0.45 0.11 0.00 0.00 0.00 0.00 61.98 61.96 2ka0 s VAL 13 Cb 0.05 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 2ka0 s VAL 13 CO 0.14 -0.48 -0.19 0.27 0.00 0.00 0.00 175.10 174.84 2ka0 s ILE 14 N 2.20 2.40 -0.01 2.22 -4.36 0.48 -1.17 121.20 122.96 2ka0 s ILE 14 Ca 0.07 -2.38 -0.01 0.00 -0.26 0.00 0.00 60.65 58.07 2ka0 s ILE 14 Cb -0.16 -2.31 0.00 0.00 1.25 0.00 0.00 42.46 41.25 2ka0 s ILE 14 CO -0.25 -0.40 0.02 -0.62 0.24 0.00 0.00 174.94 173.93 2ka0 s ASP 15 N -3.50 -0.02 -0.09 4.36 2.15 -0.48 -0.77 116.67 118.32 2ka0 s ASP 15 Ca 0.30 0.04 0.01 0.00 0.43 0.00 0.00 52.55 53.33 2ka0 s ASP 15 Cb -0.04 0.04 0.02 0.00 -0.30 0.00 0.00 42.92 42.64 2ka0 s ASP 15 CO 0.14 -0.01 -0.10 -0.76 -0.17 0.00 0.00 175.17 174.27 2ka0 s LEU 16 N 0.07 1.42 0.26 -1.34 2.01 -0.93 -0.36 118.68 119.81 2ka0 s LEU 16 Ca -0.01 -0.31 -0.30 0.00 0.01 0.00 0.00 54.13 53.53 2ka0 s LEU 16 Cb -0.01 -0.85 -0.09 0.00 0.01 0.00 0.00 46.19 45.25 2ka0 s LEU 16 CO -0.00 -0.05 1.26 0.21 1.01 0.00 0.00 176.35 178.78 2ka0 s ASN 17 N 1.23 6.93 -0.06 2.29 2.47 -0.64 -0.66 114.94 126.51 2ka0 s ASN 17 Ca -0.04 2.47 0.00 0.00 0.42 0.00 0.00 52.86 55.71 2ka0 s ASN 17 Cb -0.14 -2.63 0.05 0.00 -1.45 0.00 0.00 41.25 37.09 2ka0 s ASN 17 CO -0.03 -0.45 1.61 -0.62 -3.72 0.00 0.00 177.10 173.89 2ka0 n GLU 18 N 1.74 1.15 -0.00 0.43 1.02 -1.26 -3.45 120.64 120.26 2ka0 n GLU 18 Ca 0.03 -0.31 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 2ka0 n GLU 18 Cb 0.43 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 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 0.87 0.55 -5.27 3.49 0.28 -1.26 -5.00 120.64 114.30 2ka0 n GLU 19 Ca 0.06 -0.90 -0.31 0.00 -0.16 0.00 0.00 57.16 55.85 2ka0 n GLU 19 Cb 0.56 -1.01 -0.16 0.00 1.43 0.00 0.00 31.44 32.26 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 -0.40 2.35 0.06 -1.84 2.02 -1.22 -5.05 117.35 113.27 2ka0 s TYR 20 Ca 0.01 -0.57 -0.15 0.00 -0.37 0.00 0.00 57.07 55.99 2ka0 s TYR 20 Cb 0.00 -1.53 -0.05 0.00 -0.40 0.00 0.00 41.96 39.99 2ka0 s TYR 20 CO 0.01 -0.13 1.25 1.49 -1.57 0.00 0.00 175.55 176.60 2ka0 h GLU 21 N 5.78 -0.12 -1.03 -0.62 4.57 -1.95 -1.91 114.58 119.29 2ka0 h GLU 21 Ca -0.37 0.01 0.26 0.00 -1.18 0.00 0.00 59.36 58.08 2ka0 h GLU 21 Cb 1.15 0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 29.66 2ka0 h GLU 21 CO 0.47 -0.08 0.64 -0.24 -1.18 0.00 0.00 179.01 178.62 2ka0 h VAL 22 N -0.13 0.52 -0.45 0.32 3.04 -1.96 0.78 116.25 118.37 2ka0 h VAL 22 Ca 0.05 -0.16 -0.05 0.00 -1.01 0.00 0.00 66.70 65.52 2ka0 h VAL 22 Cb 0.25 -0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 29.51 2ka0 h VAL 22 CO -0.33 0.09 0.07 0.58 -1.01 0.00 0.00 177.57 176.97 2ka0 h VAL 23 N 0.48 1.25 -0.69 1.51 2.07 -1.67 0.33 116.25 119.52 2ka0 h VAL 23 Ca 0.63 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 2ka0 h VAL 23 Cb 1.40 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 2ka0 h VAL 23 CO -0.39 0.32 0.28 0.11 0.02 0.00 0.00 177.57 177.91 2ka0 h LYS 24 N 0.61 1.01 -0.21 1.57 1.57 -0.62 -1.82 116.57 118.67 2ka0 h LYS 24 Ca 0.14 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 2ka0 h LYS 24 Cb 0.39 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2ka0 h LYS 24 CO 0.01 0.82 -0.26 -0.07 -0.57 0.00 0.00 179.45 179.37 2ka0 h LEU 25 N 0.99 0.60 -0.79 2.94 -0.00 -1.13 -2.86 115.31 115.06 2ka0 h LEU 25 Ca 0.23 -0.50 0.15 0.00 -0.00 0.00 0.00 57.88 57.77 2ka0 h LEU 25 Cb 0.18 -0.17 -0.10 0.00 -0.00 0.00 0.00 40.66 40.57 2ka0 h LEU 25 CO -0.02 0.98 0.34 -0.07 -0.00 0.00 0.00 178.44 179.67 2ka0 h LEU 26 N 0.24 0.33 -2.10 1.67 3.38 -0.73 -1.84 115.31 116.27 2ka0 h LEU 26 Ca 0.03 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.16 2ka0 h LEU 26 Cb 0.83 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2ka0 h LEU 26 CO 0.06 0.12 0.33 0.50 0.09 0.00 0.00 178.44 179.54 2ka0 h LYS 27 N 0.48 0.00 0.01 1.13 3.64 -1.09 0.28 116.57 121.02 2ka0 h LYS 27 Ca 0.44 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.52 2ka0 h LYS 27 Cb 0.68 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.46 2ka0 h LYS 27 CO -0.41 0.00 -1.75 0.39 -2.27 0.00 0.00 179.45 175.41 2ka0 n GLU 28 N -3.41 0.64 -0.02 1.90 1.02 -0.70 -4.21 120.64 115.87 2ka0 n GLU 28 Ca 0.02 0.29 -0.18 0.00 -0.02 0.00 0.00 57.16 57.28 2ka0 n GLU 28 Cb 0.44 -1.78 -0.07 0.00 -0.02 0.00 0.00 31.44 30.00 2ka0 n GLU 28 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2ka0 h LYS 29 N 0.01 0.78 -6.91 3.49 6.56 -0.97 -3.45 116.57 116.08 2ka0 h LYS 29 Ca -0.30 -0.65 -0.53 0.00 -1.06 0.00 0.00 60.65 58.11 2ka0 h LYS 29 Cb 2.02 0.14 0.08 0.00 -0.57 0.00 0.00 32.23 33.90 2ka0 h LYS 29 CO 0.08 1.25 0.66 0.42 -2.06 0.00 0.00 179.45 179.80 2ka0 s ILE 30 N -3.72 2.54 0.48 1.86 1.01 -0.52 -3.87 121.20 118.99 2ka0 s ILE 30 Ca -0.10 0.53 -0.21 0.00 0.00 0.00 0.00 60.65 60.87 2ka0 s ILE 30 Cb 0.08 -3.33 -0.08 0.00 0.01 0.00 0.00 42.46 39.14 2ka0 s ILE 30 CO 0.90 0.11 1.06 -2.16 0.00 0.00 0.00 174.94 174.86 2ka0 s PRO 31 N -1.98 3.77 0.32 2.79 0.05 -1.26 -4.96 135.00 133.72 2ka0 s PRO 31 Ca 0.52 1.45 -0.04 0.00 0.05 0.00 0.00 61.00 62.98 2ka0 s PRO 31 Cb -0.41 -2.15 -0.00 0.00 0.05 0.00 0.00 34.50 31.98 2ka0 s PRO 31 CO 0.54 -0.48 0.44 -0.59 0.05 0.00 0.00 177.00 176.96 2ka0 s PHE 32 N -1.87 0.99 0.23 0.56 -0.71 -0.76 -5.02 117.98 111.40 2ka0 s PHE 32 Ca 0.67 -1.23 0.02 0.00 -1.04 0.00 0.00 56.93 55.35 2ka0 s PHE 32 Cb -0.19 -0.11 -0.05 0.00 -1.21 0.00 0.00 43.02 41.46 2ka0 s PHE 32 CO 0.23 -1.06 0.03 -1.21 -1.34 0.00 0.00 175.22 171.87 2ka0 s GLU 33 N -3.31 1.31 0.22 1.99 8.01 -1.26 -0.30 118.70 125.36 2ka0 s GLU 33 Ca 0.30 -1.67 -0.15 0.00 0.01 0.00 0.00 54.97 53.46 2ka0 s GLU 33 Cb 0.00 -0.41 0.06 0.00 -4.31 0.00 0.00 34.13 29.47 2ka0 s GLU 33 CO 0.18 -0.18 0.75 0.45 0.01 0.00 0.00 175.26 176.48 2ka0 n SER 34 N -0.39 -1.59 -4.72 -0.19 2.88 -0.59 -4.98 113.62 104.05 2ka0 n SER 34 Ca -0.04 -1.96 -0.35 0.00 -1.33 0.00 0.00 58.87 55.19 2ka0 n SER 34 Cb 0.65 2.61 -0.08 0.00 -0.75 0.00 0.00 64.21 66.63 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 -2.21 5.38 -0.16 2.46 1.01 -1.26 -1.47 120.40 124.15 2ka0 s VAL 35 Ca 0.16 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 62.09 2ka0 s VAL 35 Cb -0.03 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 2ka0 s VAL 35 CO 0.07 0.41 1.58 -0.69 0.00 0.00 0.00 175.10 176.47 2ka0 s VAL 36 N 0.51 3.73 0.19 2.92 1.01 -1.26 -4.29 120.40 123.21 2ka0 s VAL 36 Ca 0.09 0.86 0.05 0.00 0.00 0.00 0.00 61.98 62.97 2ka0 s VAL 36 Cb -0.12 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2ka0 s VAL 36 CO 0.00 -0.20 0.24 0.20 0.00 0.00 0.00 175.10 175.34 2ka0 s ASN 37 N 3.67 5.94 -0.07 3.32 0.01 0.26 -1.93 114.94 126.15 2ka0 s ASN 37 Ca 0.70 -0.02 -0.06 0.00 -0.71 0.00 0.00 52.86 52.78 2ka0 s ASN 37 Cb -0.27 -1.67 0.02 0.00 0.41 0.00 0.00 41.25 39.75 2ka0 s ASN 37 CO 0.27 0.02 0.18 0.42 -1.51 0.00 0.00 177.10 176.48 2ka0 s THR 38 N -1.87 -0.01 -0.30 1.60 -4.23 -1.26 -1.33 115.64 108.24 2ka0 s THR 38 Ca 0.33 0.04 0.01 0.00 -1.18 0.00 0.00 61.69 60.89 2ka0 s THR 38 Cb -0.10 -0.27 0.15 0.00 1.34 0.00 0.00 72.50 73.62 2ka0 s THR 38 CO 0.26 0.02 0.35 0.86 -0.54 0.00 0.00 174.62 175.57 2ka0 s TRP 39 N 0.39 -0.62 -1.48 3.99 -0.00 -0.80 -4.95 118.94 115.48 2ka0 s TRP 39 Ca -0.02 -0.12 -0.07 0.00 -0.00 0.00 0.00 56.10 55.88 2ka0 s TRP 39 Cb -0.04 -0.36 0.05 0.00 -0.00 0.00 0.00 33.47 33.13 2ka0 s TRP 39 CO -0.02 -0.95 0.70 0.41 -0.00 0.00 0.00 176.95 177.09 2ka0 n GLY 40 N 5.15 -0.35 2.04 5.86 0.00 -1.26 -0.97 105.19 115.67 2ka0 n GLY 40 Ca 0.01 0.15 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.44 -0.16 -4.16 1.61 1.02 -1.26 -3.92 120.64 109.33 2ka0 n GLU 41 Ca -0.14 0.22 -0.22 0.00 -0.02 0.00 0.00 57.16 56.99 2ka0 n GLU 41 Cb 0.61 -3.83 -0.05 0.00 -0.02 0.00 0.00 31.44 28.15 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 -3.64 2.64 -0.04 3.49 2.12 -0.14 -3.86 118.70 119.27 2ka0 s GLU 42 Ca 0.00 -1.24 0.03 0.00 0.36 0.00 0.00 54.97 54.12 2ka0 s GLU 42 Cb 0.00 -2.38 0.00 0.00 0.26 0.00 0.00 34.13 32.01 2ka0 s GLU 42 CO 0.00 0.35 -0.13 0.42 -0.54 0.00 0.00 175.26 175.35 2ka0 s ILE 43 N -2.24 1.14 0.18 -3.70 1.01 -1.24 -1.91 121.20 114.45 2ka0 s ILE 43 Ca 0.33 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.40 2ka0 s ILE 43 Cb -0.07 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 2ka0 s ILE 43 CO 0.23 0.34 0.16 -0.72 0.00 0.00 0.00 174.94 174.95 2ka0 s TYR 44 N 0.16 0.91 0.05 3.97 -0.85 -0.44 -1.89 117.35 119.26 2ka0 s TYR 44 Ca -0.05 -1.20 -0.17 0.00 -0.52 0.00 0.00 57.07 55.13 2ka0 s TYR 44 Cb -0.11 -0.40 0.03 0.00 0.38 0.00 0.00 41.96 41.87 2ka0 s TYR 44 CO 0.02 -0.65 0.40 -0.59 -1.52 0.00 0.00 175.55 173.20 2ka0 s PHE 45 N -4.09 -0.24 -1.28 -3.49 -0.71 -1.26 -0.57 117.98 106.33 2ka0 s PHE 45 Ca 0.31 0.18 -0.14 0.00 -1.04 0.00 0.00 56.93 56.23 2ka0 s PHE 45 Cb 0.06 0.21 0.12 0.00 -1.21 0.00 0.00 43.02 42.20 2ka0 s PHE 45 CO 0.08 -0.57 1.71 -1.13 -1.34 0.00 0.00 175.22 173.97 2ka0 n SER 46 N 0.48 4.94 -4.73 1.98 3.41 -1.26 -2.42 113.62 116.01 2ka0 n SER 46 Ca -0.18 -2.97 -0.37 0.00 -0.26 0.00 0.00 58.87 55.09 2ka0 n SER 46 Cb 0.60 -1.62 0.07 0.00 -0.26 0.00 0.00 64.21 63.00 2ka0 n SER 46 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2ka0 s THR 47 N 2.40 2.00 -1.38 6.66 -4.23 -1.26 -4.91 115.64 114.92 2ka0 s THR 47 Ca 0.46 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 61.22 2ka0 s THR 47 Cb 0.04 -2.95 0.40 0.00 1.34 0.00 0.00 72.50 71.32 2ka0 s THR 47 CO 0.02 -0.00 1.80 -0.81 -0.54 0.00 0.00 174.62 175.09 2ka0 n PRO 48 N -2.03 0.31 -3.86 3.99 -0.04 -1.26 -4.58 135.00 127.52 2ka0 n PRO 48 Ca 0.16 0.06 -0.36 0.00 -0.04 0.00 0.00 63.50 63.32 2ka0 n PRO 48 Cb 0.48 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.31 2ka0 n PRO 48 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ka0 s VAL 49 N -2.62 3.34 -0.28 0.52 0.11 -1.26 -5.06 120.40 115.14 2ka0 s VAL 49 Ca 0.22 -1.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.24 2ka0 s VAL 49 Cb 0.16 -2.78 0.09 0.00 -1.53 0.00 0.00 36.38 32.31 2ka0 s VAL 49 CO 0.38 0.04 0.05 0.54 -3.33 0.00 0.00 175.10 172.77 2ka0 s ASN 50 N 1.37 3.97 0.19 3.54 4.22 -1.26 -4.96 114.94 122.01 2ka0 s ASN 50 Ca -0.01 -1.51 0.10 0.00 -2.14 0.00 0.00 52.86 49.30 2ka0 s ASN 50 Cb -0.18 -1.03 -0.04 0.00 1.28 0.00 0.00 41.25 41.27 2ka0 s ASN 50 CO -0.01 -0.35 -0.14 0.68 -2.04 0.00 0.00 177.10 175.24 2ka0 s VAL 51 N 1.47 2.92 -1.28 3.54 -7.23 -1.26 -5.05 120.40 113.52 2ka0 s VAL 51 Ca 0.05 -1.80 0.13 0.00 -1.81 0.00 0.00 61.98 58.55 2ka0 s VAL 51 Cb -0.18 -2.44 0.30 0.00 0.56 0.00 0.00 36.38 34.62 2ka0 s VAL 51 CO -0.16 -0.12 1.21 0.00 -0.31 0.00 0.00 175.10 175.72 2ka0 n GLN 52 N 0.08 2.31 -3.08 4.82 6.02 -1.26 -4.78 117.38 121.49 2ka0 n GLN 52 Ca -0.11 -1.93 -0.39 0.00 -0.01 0.00 0.00 57.00 54.55 2ka0 n GLN 52 Cb 0.56 -1.31 -0.05 0.00 1.02 0.00 0.00 30.24 30.45 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 -1.03 4.42 0.48 -1.09 2.20 -1.26 -5.09 119.74 118.36 2ka0 s LYS 53 Ca 0.25 0.94 0.04 0.00 -0.36 0.00 0.00 55.97 56.84 2ka0 s LYS 53 Cb 0.14 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 33.11 2ka0 s LYS 53 CO 0.19 0.40 0.09 0.00 -0.36 0.00 0.00 175.35 175.67 2ka0 s MET 54 N -0.40 2.16 0.00 4.03 0.00 -1.26 -4.91 119.30 118.92 2ka0 s MET 54 Ca 0.35 -2.20 0.00 0.00 0.00 0.00 0.00 55.69 53.84 2ka0 s MET 54 Cb -0.20 -1.71 0.00 0.00 0.00 0.00 0.00 34.83 32.92 2ka0 s MET 54 CO 0.21 -0.30 0.00 0.39 0.00 0.00 0.00 175.02 175.32 2ka0 n GLU 55 N -1.28 0.94 -3.19 3.16 -0.58 -1.26 -4.98 120.64 113.45 2ka0 n GLU 55 Ca -0.11 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.41 2ka0 n GLU 55 Cb 0.66 -0.76 -0.05 0.00 -0.57 0.00 0.00 31.44 30.72 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 -1.70 0.89 -4.75 1.62 5.15 -1.26 -5.11 115.26 110.10 2ka0 n ASN 56 Ca 0.00 -2.93 -0.41 0.00 -0.60 0.00 0.00 54.58 50.65 2ka0 n ASN 56 Cb 0.26 -0.63 -0.04 0.00 -0.53 0.00 0.00 39.78 38.84 2ka0 n ASN 56 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2ka0 s PRO 57 N -1.92 4.63 0.14 1.20 0.04 -1.26 -1.08 135.00 136.75 2ka0 s PRO 57 Ca 0.38 1.77 0.08 0.00 0.04 0.00 0.00 61.00 63.27 2ka0 s PRO 57 Cb 0.25 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 2ka0 s PRO 57 CO -0.09 0.17 -0.17 1.03 0.04 0.00 0.00 177.00 177.97 2ka0 s ARG 58 N -1.06 1.18 0.00 4.56 0.52 -0.37 -4.90 118.95 118.87 2ka0 s ARG 58 Ca 0.46 -1.33 0.21 0.00 -0.52 0.00 0.00 55.73 54.56 2ka0 s ARG 58 Cb -0.31 -1.20 0.54 0.00 0.52 0.00 0.00 34.95 34.50 2ka0 s ARG 58 CO 0.39 0.24 1.45 0.39 0.02 0.00 0.00 175.30 177.79 2ka0 n GLU 59 N 0.46 2.21 -3.52 3.54 1.02 -1.26 -2.54 120.64 120.54 2ka0 n GLU 59 Ca -0.15 -1.84 -0.18 0.00 -0.02 0.00 0.00 57.16 54.97 2ka0 n GLU 59 Cb 0.57 -1.46 -0.06 0.00 -0.02 0.00 0.00 31.44 30.47 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 -1.53 0.00 0.33 2.62 0.11 -1.26 -4.08 120.40 116.58 2ka0 s VAL 60 Ca 0.36 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.44 2ka0 s VAL 60 Cb 0.20 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 34.03 2ka0 s VAL 60 CO 0.28 0.00 0.34 0.68 -3.33 0.00 0.00 175.10 173.08 2ka0 s VAL 61 N -1.20 0.00 0.48 2.04 -7.23 -0.79 -4.98 120.40 108.72 2ka0 s VAL 61 Ca -0.11 -1.85 0.08 0.00 -1.81 0.00 0.00 61.98 58.30 2ka0 s VAL 61 Cb -0.00 -2.55 0.03 0.00 0.56 0.00 0.00 36.38 34.42 2ka0 s VAL 61 CO 0.10 0.00 0.59 -1.61 -0.31 0.00 0.00 175.10 173.86 2ka0 s GLU 62 N -3.34 2.55 -1.38 4.82 2.02 -1.26 -4.50 118.70 117.61 2ka0 s GLU 62 Ca 0.37 -1.50 -0.16 0.00 0.02 0.00 0.00 54.97 53.70 2ka0 s GLU 62 Cb 0.02 -2.59 0.06 0.00 0.10 0.00 0.00 34.13 31.71 2ka0 s GLU 62 CO 0.24 -0.47 1.98 -0.89 0.02 0.00 0.00 175.26 176.14 2ka0 n ILE 63 N -1.91 3.70 0.00 -1.63 5.41 -1.26 -3.50 119.36 120.17 2ka0 n ILE 63 Ca 0.09 -3.57 0.00 0.00 1.00 0.00 0.00 62.75 60.27 2ka0 n ILE 63 Cb 0.61 -2.48 0.00 0.00 -0.71 0.00 0.00 39.64 37.06 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 4.74 0.00 3.96 7.39 0.00 -0.18 -4.91 105.19 116.18 2ka0 n GLY 64 Ca 0.50 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.31 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 5.03 -0.14 1.61 1.01 -1.23 -1.18 116.67 121.77 2ka0 s ASP 65 Ca 0.00 -0.89 -0.00 0.00 0.71 0.00 0.00 52.55 52.37 2ka0 s ASP 65 Cb 0.00 0.03 0.03 0.00 1.01 0.00 0.00 42.92 44.00 2ka0 s ASP 65 CO 0.00 -1.06 -0.07 -0.69 0.21 0.00 0.00 175.17 173.56 2ka0 s VAL 66 N -2.62 1.09 0.49 -1.27 1.01 0.04 -3.28 120.40 115.86 2ka0 s VAL 66 Ca 0.50 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 62.09 2ka0 s VAL 66 Cb -0.05 -1.17 0.03 0.00 0.00 0.00 0.00 36.38 35.20 2ka0 s VAL 66 CO 0.31 0.27 0.68 -0.83 0.00 0.00 0.00 175.10 175.53 2ka0 s GLY 67 N 1.67 1.88 -0.10 4.51 0.00 -0.70 -2.18 107.32 112.39 2ka0 s GLY 67 Ca 0.03 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.11 2ka0 s GLY 67 CO -0.08 -1.38 -0.09 -0.47 0.00 0.00 0.00 173.10 171.08 2ka0 s TYR 68 N -2.55 1.47 -0.70 1.90 5.04 -0.99 -1.83 117.35 119.69 2ka0 s TYR 68 Ca 0.57 -0.68 -0.00 0.00 -2.44 0.00 0.00 57.07 54.52 2ka0 s TYR 68 Cb -0.09 -1.18 0.17 0.00 0.35 0.00 0.00 41.96 41.22 2ka0 s TYR 68 CO 0.36 -0.44 0.52 -0.46 -1.34 0.00 0.00 175.55 174.19 2ka0 s TRP 69 N 1.36 3.53 0.39 4.97 -0.00 0.01 -3.34 118.94 125.87 2ka0 s TRP 69 Ca -0.02 -2.97 0.07 0.00 -0.00 0.00 0.00 56.10 53.19 2ka0 s TRP 69 Cb -0.14 -3.08 0.81 0.00 -0.00 0.00 0.00 33.47 31.06 2ka0 s TRP 69 CO -0.04 -0.75 2.00 -1.00 -0.00 0.00 0.00 176.95 177.16 2ka0 h PRO 70 N 6.40 0.48 0.19 5.86 0.13 -1.86 -1.63 132.00 141.58 2ka0 h PRO 70 Ca 0.05 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2ka0 h PRO 70 Cb 0.87 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2ka0 h PRO 70 CO 0.75 0.39 -0.09 -1.00 -0.23 0.00 0.00 178.00 177.82 2ka0 h PRO 71 N 0.48 -0.25 0.00 1.56 0.14 -1.94 -1.85 132.00 130.14 2ka0 h PRO 71 Ca 0.12 0.02 0.00 0.00 0.14 0.00 0.00 66.00 66.28 2ka0 h PRO 71 Cb 0.08 0.06 0.00 0.00 0.14 0.00 0.00 31.00 31.28 2ka0 h PRO 71 CO -0.01 -0.03 0.00 0.41 0.14 0.00 0.00 178.00 178.50 2ka0 n GLY 72 N -0.73 -1.21 3.02 1.56 0.00 -1.25 -4.99 105.19 101.58 2ka0 n GLY 72 Ca -0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.33 -1.49 -3.71 1.61 4.01 -0.70 -5.03 118.16 111.52 2ka0 n LYS 73 Ca 0.11 1.53 -0.08 0.00 -0.51 0.00 0.00 58.31 59.36 2ka0 n LYS 73 Cb 0.23 -2.52 -0.02 0.00 -0.51 0.00 0.00 35.03 32.21 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 -1.15 -1.36 1.38 7.82 0.00 -0.62 -4.32 121.76 123.51 2ka0 s ALA 74 Ca -0.01 -0.03 -0.22 0.00 0.00 0.00 0.00 51.96 51.70 2ka0 s ALA 74 Cb 0.00 0.85 0.35 0.00 0.00 0.00 0.00 23.12 24.32 2ka0 s ALA 74 CO 0.28 -0.95 0.97 -1.17 0.00 0.00 0.00 175.76 174.89 2ka0 s LEU 75 N -2.86 -0.72 -0.10 0.00 2.96 -1.02 -0.81 118.68 116.14 2ka0 s LEU 75 Ca 0.08 0.78 -0.14 0.00 -0.22 0.00 0.00 54.13 54.63 2ka0 s LEU 75 Cb -0.04 -2.27 0.03 0.00 0.50 0.00 0.00 46.19 44.41 2ka0 s LEU 75 CO 0.00 -5.12 0.37 0.00 -1.32 0.00 0.00 176.35 170.28 2ka0 s LEU 77 N -0.36 1.95 -0.31 0.00 1.43 -0.79 -1.72 118.68 118.88 2ka0 s LEU 77 Ca -0.05 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 2ka0 s LEU 77 Cb -0.03 -1.01 0.08 0.00 0.03 0.00 0.00 46.19 45.25 2ka0 s LEU 77 CO 0.02 0.17 -0.01 -0.36 0.23 0.00 0.00 176.35 176.40 2ka0 s PHE 78 N -0.05 3.46 -0.03 0.29 0.08 -1.21 -3.60 117.98 116.92 2ka0 s PHE 78 Ca -0.02 -2.48 0.10 0.00 0.12 0.00 0.00 56.93 54.64 2ka0 s PHE 78 Cb -0.11 -2.40 0.17 0.00 -0.57 0.00 0.00 43.02 40.11 2ka0 s PHE 78 CO 0.02 -0.90 1.08 1.97 -0.10 0.00 0.00 175.22 177.29 2ka0 n PHE 79 N 4.42 0.00 -0.04 0.36 -1.74 -1.25 -1.01 117.46 118.19 2ka0 n PHE 79 Ca -0.07 -0.35 0.00 0.00 -0.56 0.00 0.00 57.45 56.47 2ka0 n PHE 79 Cb 0.42 -0.10 0.00 0.00 1.52 0.00 0.00 39.48 41.32 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 -0.13 3.46 2.54 4.97 0.00 -1.25 -5.01 105.19 109.77 2ka0 n GLY 80 Ca 0.05 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 4.89 0.75 0.69 1.61 2.36 -1.26 -4.83 119.74 123.94 2ka0 s LYS 81 Ca 0.00 -1.48 -0.11 0.00 -2.55 0.00 0.00 55.97 51.83 2ka0 s LYS 81 Cb 0.00 -1.61 0.00 0.00 -1.05 0.00 0.00 37.83 35.18 2ka0 s LYS 81 CO 0.00 -1.18 1.06 0.95 1.55 0.00 0.00 175.35 177.73 2ka0 s THR 82 N 0.93 3.97 -1.37 3.43 -4.23 -1.25 -4.91 115.64 112.21 2ka0 s THR 82 Ca 0.17 0.67 -0.13 0.00 -1.18 0.00 0.00 61.69 61.22 2ka0 s THR 82 Cb -0.23 -3.37 0.09 0.00 1.34 0.00 0.00 72.50 70.33 2ka0 s THR 82 CO -0.01 -0.80 2.00 -0.81 -0.54 0.00 0.00 174.62 174.45 2ka0 n PRO 83 N -3.01 3.15 -0.55 3.99 -0.04 -1.26 -4.23 135.00 133.05 2ka0 n PRO 83 Ca 0.08 -3.05 -0.01 0.00 -0.04 0.00 0.00 63.50 60.49 2ka0 n PRO 83 Cb 0.53 -3.21 -0.01 0.00 -0.04 0.00 0.00 33.50 30.78 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 5.83 0.00 -0.36 0.54 1.56 -1.26 -5.05 117.12 118.38 2ka0 n MET 84 Ca 0.47 -0.15 0.00 0.00 -0.27 0.00 0.00 57.70 57.75 2ka0 n MET 84 Cb 0.40 0.01 0.00 0.00 2.15 0.00 0.00 33.22 35.78 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 0.00 0.00 0.00 6.12 2.88 -1.26 -4.72 113.62 116.65 2ka0 n SER 85 Ca -0.02 -0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.26 2ka0 n SER 85 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2ka0 n SER 85 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2ka0 n ASP 86 N -0.46 0.00 0.06 -3.46 8.00 -1.26 -4.99 116.55 114.44 2ka0 n ASP 86 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 2ka0 n ASP 86 Cb 0.00 0.10 -0.07 0.00 -0.02 0.00 0.00 41.12 41.13 2ka0 n ASP 86 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2ka0 h ASP 87 N 0.00 -0.20 -1.12 -2.24 3.32 -2.01 -3.49 116.42 110.68 2ka0 h ASP 87 Ca 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2ka0 h ASP 87 Cb 0.00 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2ka0 h ASP 87 CO 0.00 0.35 0.00 2.29 -1.72 0.00 0.00 179.24 180.16 2ka0 n LYS 88 N -4.93 0.28 -3.26 3.56 2.85 -1.26 -5.08 118.16 110.32 2ka0 n LYS 88 Ca -0.07 0.00 -0.44 0.00 -1.05 0.00 0.00 58.31 56.75 2ka0 n LYS 88 Cb 0.25 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.63 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 4.72 -2.66 0.58 5.41 -1.26 -4.75 119.36 121.40 2ka0 n ILE 89 Ca 0.00 -5.54 -0.38 0.00 1.00 0.00 0.00 62.75 57.83 2ka0 n ILE 89 Cb 0.00 -2.43 -0.05 0.00 -0.71 0.00 0.00 39.64 36.45 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 -1.74 4.56 0.86 0.38 -0.21 -1.26 -1.88 119.66 120.36 2ka0 s GLN 90 Ca 0.31 1.50 -0.10 0.00 0.02 0.00 0.00 55.36 57.09 2ka0 s GLN 90 Cb -0.05 -2.92 0.16 0.00 1.00 0.00 0.00 33.01 31.20 2ka0 s GLN 90 CO -0.03 0.22 1.18 -1.25 -2.12 0.00 0.00 175.29 173.30 2ka0 s PRO 91 N -1.85 1.12 0.62 2.91 0.04 -1.26 -4.59 135.00 131.99 2ka0 s PRO 91 Ca 0.49 -0.66 0.40 0.00 0.04 0.00 0.00 61.00 61.27 2ka0 s PRO 91 Cb -0.24 -2.04 2.07 0.00 0.04 0.00 0.00 34.50 34.33 2ka0 s PRO 91 CO 0.30 -1.98 2.23 0.00 0.04 0.00 0.00 177.00 177.58 2ka0 h ALA 92 N -1.17 1.00 -2.17 8.56 0.00 -1.96 -3.45 119.26 120.07 2ka0 h ALA 92 Ca -0.41 0.00 0.26 0.00 0.00 0.00 0.00 54.91 54.75 2ka0 h ALA 92 Cb 1.25 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 2ka0 h ALA 92 CO 0.40 0.00 0.73 -1.54 0.00 0.00 0.00 179.25 178.84 2ka0 s SER 93 N -5.24 -0.02 -0.93 0.00 1.04 -1.26 -5.08 113.70 102.20 2ka0 s SER 93 Ca -0.03 -0.39 -0.26 0.00 0.48 0.00 0.00 55.95 55.76 2ka0 s SER 93 Cb 0.12 0.32 -0.14 0.00 0.10 0.00 0.00 66.02 66.41 2ka0 s SER 93 CO 0.44 -0.62 2.21 0.00 0.98 0.00 0.00 173.24 176.25 2ka0 s ALA 94 N -2.28 0.87 0.24 5.32 0.00 -1.26 -4.90 121.76 119.75 2ka0 s ALA 94 Ca 0.22 -1.23 -0.30 0.00 0.00 0.00 0.00 51.96 50.65 2ka0 s ALA 94 Cb -0.00 -4.62 -0.09 0.00 0.00 0.00 0.00 23.12 18.40 2ka0 s ALA 94 CO 0.01 -5.99 1.30 0.14 0.00 0.00 0.00 175.76 171.22 2ka0 s VAL 95 N 14.38 3.08 -0.20 0.00 -7.23 -1.05 -4.33 120.40 125.04 2ka0 s VAL 95 Ca 0.84 0.95 -0.29 0.00 -1.81 0.00 0.00 61.98 61.66 2ka0 s VAL 95 Cb -0.09 -3.60 -0.06 0.00 0.56 0.00 0.00 36.38 33.19 2ka0 s VAL 95 CO 0.10 0.17 2.19 -3.20 -0.31 0.00 0.00 175.10 174.05 2ka0 n ASN 96 N 2.01 3.24 -3.58 4.85 5.15 -1.21 -1.23 115.26 124.49 2ka0 n ASN 96 Ca 0.04 0.32 -0.41 0.00 -0.60 0.00 0.00 54.58 53.93 2ka0 n ASN 96 Cb 0.43 -1.52 -0.01 0.00 -0.53 0.00 0.00 39.78 38.15 2ka0 n ASN 96 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2ka0 n VAL 97 N 7.39 4.62 0.25 3.44 0.31 -0.24 -2.36 118.33 131.74 2ka0 n VAL 97 Ca 0.30 -3.85 0.14 0.00 -0.01 0.00 0.00 64.34 60.92 2ka0 n VAL 97 Cb 0.42 -2.32 0.51 0.00 -0.91 0.00 0.00 33.84 31.53 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 3.15 0.16 -4.11 2.52 3.07 -1.82 -3.47 117.51 117.01 2ka0 h ILE 98 Ca 0.64 -0.82 -0.35 0.00 1.55 0.00 0.00 64.86 65.89 2ka0 h ILE 98 Cb 0.42 1.70 -0.09 0.00 -0.27 0.00 0.00 36.82 38.59 2ka0 h ILE 98 CO 1.63 0.07 -0.33 0.61 -1.05 0.00 0.00 178.15 179.08 2ka0 n GLY 99 N 0.32 3.05 2.83 0.16 0.00 -0.93 -1.63 105.19 109.00 2ka0 n GLY 99 Ca 0.01 -1.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.09 2ka0 n GLY 99 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ka0 s LYS 100 N -2.98 -0.00 -1.08 1.61 2.47 0.52 -0.78 119.74 119.49 2ka0 s LYS 100 Ca 0.30 0.13 -0.21 0.00 -1.56 0.00 0.00 55.97 54.62 2ka0 s LYS 100 Cb 0.01 -0.13 0.06 0.00 -1.46 0.00 0.00 37.83 36.32 2ka0 s LYS 100 CO 0.21 -0.09 1.48 0.42 0.16 0.00 0.00 175.35 177.53 2ka0 s ILE 101 N 0.60 4.06 0.17 5.43 1.01 -0.33 -1.38 121.20 130.76 2ka0 s ILE 101 Ca -0.05 -1.13 -0.03 0.00 0.00 0.00 0.00 60.65 59.44 2ka0 s ILE 101 Cb -0.07 -5.06 -0.11 0.00 0.01 0.00 0.00 42.46 37.23 2ka0 s ILE 101 CO -0.02 -1.91 1.42 -0.37 0.00 0.00 0.00 174.94 174.06 2ka0 h VAL 102 N 6.39 1.37 -3.99 2.92 -1.51 -1.78 -3.44 116.25 116.21 2ka0 h VAL 102 Ca 0.25 -2.13 -0.10 0.00 -1.23 0.00 0.00 66.70 63.49 2ka0 h VAL 102 Cb 0.98 2.10 -0.14 0.00 -2.13 0.00 0.00 31.29 32.10 2ka0 h VAL 102 CO 1.40 0.64 -0.48 -1.61 -1.23 0.00 0.00 177.57 176.29 2ka0 s GLU 103 N -3.62 0.80 -0.60 5.19 0.41 -0.31 -4.94 118.70 115.62 2ka0 s GLU 103 Ca -0.06 -1.09 -0.07 0.00 -0.41 0.00 0.00 54.97 53.34 2ka0 s GLU 103 Cb 0.10 0.30 0.01 0.00 -1.78 0.00 0.00 34.13 32.76 2ka0 s GLU 103 CO 0.85 -0.23 0.65 0.41 -0.49 0.00 0.00 175.26 176.45 2ka0 n GLY 104 N -0.02 -1.28 0.05 -1.39 0.00 -1.26 -0.97 105.19 100.32 2ka0 n GLY 104 Ca -0.14 0.84 -0.03 0.00 0.00 0.00 0.00 46.02 46.69 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 -1.09 1.23 0.23 0.99 -0.00 -1.26 -4.57 117.00 112.53 2ka0 n LEU 105 Ca 0.05 0.47 0.12 0.00 -0.00 0.00 0.00 56.01 56.66 2ka0 n LEU 105 Cb 0.48 -0.74 0.44 0.00 -0.00 0.00 0.00 43.42 43.60 2ka0 n LEU 105 CO 0.51 -0.47 0.83 -0.33 -0.00 0.00 0.00 177.39 177.93 2ka0 h GLU 106 N -0.68 0.00 0.00 1.96 5.08 -1.97 -0.33 114.58 118.64 2ka0 h GLU 106 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ka0 h GLU 106 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2ka0 h GLU 106 CO 0.00 0.14 0.00 -0.40 -1.00 0.00 0.00 179.01 177.75 2ka0 n ASP 107 N -3.23 0.58 0.11 1.42 5.75 -1.26 -1.37 116.55 118.55 2ka0 n ASP 107 Ca 0.01 0.70 -0.01 0.00 -0.01 0.00 0.00 54.79 55.49 2ka0 n ASP 107 Cb 0.44 -0.81 0.26 0.00 -1.03 0.00 0.00 41.12 39.98 2ka0 n ASP 107 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2ka0 h LEU 108 N 0.00 0.20 -2.50 -2.12 3.38 -1.29 -3.27 115.31 109.70 2ka0 h LEU 108 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2ka0 h LEU 108 Cb 0.17 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2ka0 h LEU 108 CO 0.00 0.57 0.00 0.29 0.09 0.00 0.00 178.44 179.39 2ka0 n LYS 109 N -4.05 0.88 0.00 1.13 5.02 -0.47 -2.39 118.16 118.27 2ka0 n LYS 109 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2ka0 n LYS 109 Cb 0.45 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 2ka0 n LYS 109 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2ka0 n LYS 110 N 1.01 3.81 -2.04 1.97 2.85 -1.23 -5.11 118.16 119.42 2ka0 n LYS 110 Ca 0.00 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.93 2ka0 n LYS 110 Cb 0.44 -0.32 0.01 0.00 -0.65 0.00 0.00 35.03 34.51 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 0.00 3.79 0.47 0.58 -1.09 -1.01 -4.97 121.20 118.97 2ka0 s ILE 111 Ca 0.00 0.85 0.03 0.00 -2.23 0.00 0.00 60.65 59.30 2ka0 s ILE 111 Cb 0.00 -3.37 0.03 0.00 -1.58 0.00 0.00 42.46 37.54 2ka0 s ILE 111 CO 0.00 -0.50 0.24 0.29 -1.23 0.00 0.00 174.94 173.74 2ka0 n LYS 112 N -2.04 0.83 -0.30 2.79 4.76 -1.26 -5.01 118.16 117.93 2ka0 n LYS 112 Ca 0.09 -3.05 0.00 0.00 -2.87 0.00 0.00 58.31 52.47 2ka0 n LYS 112 Cb 0.53 0.49 0.00 0.00 -1.84 0.00 0.00 35.03 34.21 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 -1.67 3.56 0.00 4.39 2.03 -1.26 -4.07 116.55 119.53 2ka0 n ASP 113 Ca -0.07 -1.92 0.00 0.00 0.52 0.00 0.00 54.79 53.32 2ka0 n ASP 113 Cb 0.55 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 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 1.50 -0.93 1.40 0.27 0.00 -0.81 -4.76 105.19 101.87 2ka0 n GLY 114 Ca 0.00 0.46 0.04 0.00 0.00 0.00 0.00 46.02 46.52 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 0.15 -0.82 1.61 1.02 -1.26 -5.00 120.64 116.35 2ka0 n GLU 115 Ca 0.00 -2.11 0.06 0.00 -0.02 0.00 0.00 57.16 55.09 2ka0 n GLU 115 Cb 0.00 -0.16 -0.02 0.00 -0.02 0.00 0.00 31.44 31.23 2ka0 n GLU 115 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2ka0 n LYS 116 N 0.34 -1.06 -3.82 3.49 4.76 -1.26 -1.09 118.16 119.51 2ka0 n LYS 116 Ca 0.07 0.81 -0.13 0.00 -2.87 0.00 0.00 58.31 56.19 2ka0 n LYS 116 Cb 1.10 -1.60 -0.14 0.00 -1.84 0.00 0.00 35.03 32.55 2ka0 n LYS 116 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2ka0 s VAL 117 N -3.38 -0.01 -0.33 -0.18 0.11 -0.54 -4.06 120.40 112.01 2ka0 s VAL 117 Ca 0.00 0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 2ka0 s VAL 117 Cb 0.00 -0.15 0.08 0.00 -1.53 0.00 0.00 36.38 34.78 2ka0 s VAL 117 CO 0.00 0.02 0.04 0.00 -3.33 0.00 0.00 175.10 171.83 2ka0 s ALA 118 N 0.31 2.87 -0.23 1.54 0.00 0.39 -1.54 121.76 125.10 2ka0 s ALA 118 Ca -0.02 -2.17 -0.13 0.00 0.00 0.00 0.00 51.96 49.64 2ka0 s ALA 118 Cb -0.03 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 2ka0 s ALA 118 CO -0.01 -1.50 0.26 0.08 0.00 0.00 0.00 175.76 174.59 2ka0 s VAL 119 N 1.09 5.28 0.32 0.00 1.01 0.59 -0.77 120.40 127.92 2ka0 s VAL 119 Ca 0.02 0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.44 2ka0 s VAL 119 Cb -0.20 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2ka0 s VAL 119 CO -0.05 0.29 0.22 -0.13 0.00 0.00 0.00 175.10 175.43 2ka0 s ARG 120 N 1.30 1.67 0.00 2.72 0.52 0.67 -1.83 118.95 123.99 2ka0 s ARG 120 Ca 0.12 -1.96 0.27 0.00 -0.52 0.00 0.00 55.73 53.64 2ka0 s ARG 120 Cb -0.14 0.14 1.31 0.00 0.52 0.00 0.00 34.95 36.77 2ka0 s ARG 120 CO 0.07 -0.56 1.91 1.19 0.02 0.00 0.00 175.30 177.92 2ka0 n PHE 121 N -0.60 0.00 -3.31 -0.53 3.72 -1.26 -0.52 117.46 114.96 2ka0 n PHE 121 Ca 0.04 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.28 2ka0 n PHE 121 Cb 0.64 -0.34 0.08 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 -1.34 -2.07 0.08 4.37 0.00 -1.26 -3.25 120.51 117.05 2ka0 n ALA 122 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2ka0 n ALA 122 Cb 0.24 -3.29 0.00 0.00 0.00 0.00 0.00 19.45 16.40 2ka0 n ALA 122 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ka0 n SER 123 N -3.07 0.98 0.00 0.00 7.64 -1.26 -4.87 113.62 113.04 2ka0 n SER 123 Ca -0.22 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 58.80 2ka0 n SER 123 Cb 0.65 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 2ka0 n SER 123 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83