#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 2.23 -0.00 2.12 3.52 -1.25 -3.73 118.95 121.83 2ka0 s ARG 2 Ca 0.00 -2.18 -0.12 0.00 -0.13 0.00 0.00 55.73 53.30 2ka0 s ARG 2 Cb 0.00 -1.92 0.01 0.00 -1.56 0.00 0.00 34.95 31.49 2ka0 s ARG 2 CO 0.00 -0.60 0.24 0.08 -0.81 0.00 0.00 175.30 174.21 2ka0 s VAL 3 N -2.83 0.07 0.05 7.11 1.01 -0.06 -4.54 120.40 121.21 2ka0 s VAL 3 Ca 0.23 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.70 2ka0 s VAL 3 Cb -0.02 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 2ka0 s VAL 3 CO 0.15 -0.32 -0.20 -0.70 0.00 0.00 0.00 175.10 174.03 2ka0 s GLU 4 N -1.44 1.31 -0.23 2.72 2.12 0.38 -0.66 118.70 122.89 2ka0 s GLU 4 Ca -0.14 -0.95 0.02 0.00 0.36 0.00 0.00 54.97 54.26 2ka0 s GLU 4 Cb -0.06 -1.43 0.05 0.00 0.26 0.00 0.00 34.13 32.95 2ka0 s GLU 4 CO 0.03 0.36 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.49 2ka0 s LEU 5 N -1.28 2.90 -0.25 2.70 1.43 -0.52 -1.04 118.68 122.63 2ka0 s LEU 5 Ca 0.07 -1.18 -0.09 0.00 -1.03 0.00 0.00 54.13 51.90 2ka0 s LEU 5 Cb -0.09 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 2ka0 s LEU 5 CO 0.02 -0.17 0.12 -0.76 0.23 0.00 0.00 176.35 175.79 2ka0 s LEU 6 N 1.24 3.77 0.45 1.79 1.43 -0.33 -0.91 118.68 126.12 2ka0 s LEU 6 Ca -0.05 -0.06 0.07 0.00 -1.03 0.00 0.00 54.13 53.06 2ka0 s LEU 6 Cb -0.18 -2.02 -0.00 0.00 0.03 0.00 0.00 46.19 44.02 2ka0 s LEU 6 CO -0.07 0.01 0.41 -0.36 0.23 0.00 0.00 176.35 176.57 2ka0 s PHE 7 N 1.40 2.43 0.47 0.29 0.40 0.10 -0.14 117.98 122.94 2ka0 s PHE 7 Ca 0.06 -0.57 0.31 0.00 -0.60 0.00 0.00 56.93 56.13 2ka0 s PHE 7 Cb -0.15 -2.13 1.68 0.00 0.51 0.00 0.00 43.02 42.93 2ka0 s PHE 7 CO 0.06 -0.26 2.15 0.93 0.70 0.00 0.00 175.22 178.80 2ka0 h GLU 8 N 0.91 0.00 0.00 0.44 4.39 -1.40 -3.28 114.58 115.65 2ka0 h GLU 8 Ca -0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.30 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 0.56 0.07 0.00 0.43 -1.16 0.00 0.00 179.01 178.90 2ka0 n SER 9 N -3.56 1.38 0.00 1.42 7.64 -1.26 -5.09 113.62 114.15 2ka0 n SER 9 Ca -0.02 -1.64 0.00 0.00 1.01 0.00 0.00 58.87 58.22 2ka0 n SER 9 Cb 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 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 -0.32 -1.13 3.46 0.23 0.00 -1.24 -4.74 105.19 101.45 2ka0 n GLY 10 Ca 0.00 -0.94 -0.16 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.81 1.11 0.36 1.61 -2.85 -1.26 -0.72 119.74 117.18 2ka0 s LYS 11 Ca 0.00 -0.04 0.06 0.00 -1.00 0.00 0.00 55.97 54.99 2ka0 s LYS 11 Cb 0.00 0.52 -0.03 0.00 -2.06 0.00 0.00 37.83 36.26 2ka0 s LYS 11 CO 0.00 -0.40 0.24 0.00 0.10 0.00 0.00 175.35 175.29 2ka0 s VAL 13 N -3.35 0.32 -0.10 0.00 1.01 -0.65 -1.44 120.40 116.20 2ka0 s VAL 13 Ca 0.35 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.24 2ka0 s VAL 13 Cb 0.02 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 36.09 2ka0 s VAL 13 CO 0.24 0.13 -0.11 0.27 0.00 0.00 0.00 175.10 175.63 2ka0 s ILE 14 N 0.40 1.15 -0.30 2.22 -4.36 0.17 -1.64 121.20 118.83 2ka0 s ILE 14 Ca -0.04 -0.42 -0.15 0.00 -0.26 0.00 0.00 60.65 59.78 2ka0 s ILE 14 Cb -0.08 -1.10 -0.03 0.00 1.25 0.00 0.00 42.46 42.51 2ka0 s ILE 14 CO -0.01 0.37 0.37 -0.62 0.24 0.00 0.00 174.94 175.30 2ka0 s ASP 15 N 1.22 6.22 -0.04 4.36 -1.08 0.08 -0.88 116.67 126.55 2ka0 s ASP 15 Ca -0.04 0.06 0.04 0.00 -0.52 0.00 0.00 52.55 52.09 2ka0 s ASP 15 Cb -0.14 -2.20 -0.00 0.00 -1.46 0.00 0.00 42.92 39.11 2ka0 s ASP 15 CO -0.03 -0.26 -0.14 -0.76 0.52 0.00 0.00 175.17 174.50 2ka0 s LEU 16 N 2.06 1.88 -0.44 -1.34 1.43 -1.24 -1.37 118.68 119.65 2ka0 s LEU 16 Ca 0.14 -0.30 -0.14 0.00 -1.03 0.00 0.00 54.13 52.80 2ka0 s LEU 16 Cb -0.16 -0.83 0.06 0.00 0.03 0.00 0.00 46.19 45.29 2ka0 s LEU 16 CO 0.11 0.13 0.34 0.21 0.23 0.00 0.00 176.35 177.37 2ka0 s ASN 17 N 0.07 6.05 0.00 2.29 3.84 -0.79 -4.58 114.94 121.82 2ka0 s ASN 17 Ca -0.03 -1.21 0.00 0.00 0.21 0.00 0.00 52.86 51.83 2ka0 s ASN 17 Cb -0.10 -2.14 0.00 0.00 -0.55 0.00 0.00 41.25 38.45 2ka0 s ASN 17 CO 0.01 -0.56 0.31 -1.84 -2.79 0.00 0.00 177.10 172.23 2ka0 n GLU 18 N 5.15 0.00 -0.05 0.43 0.28 -1.26 -1.38 120.64 123.80 2ka0 n GLU 18 Ca -0.12 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.74 2ka0 n GLU 18 Cb 0.45 -1.41 -0.07 0.00 1.43 0.00 0.00 31.44 31.83 2ka0 n GLU 18 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2ka0 h GLU 19 N 0.00 0.50 -6.91 3.44 4.39 -1.97 -3.40 114.58 110.63 2ka0 h GLU 19 Ca 0.00 -0.34 -0.53 0.00 0.34 0.00 0.00 59.36 58.83 2ka0 h GLU 19 Cb 0.00 0.05 0.09 0.00 -0.10 0.00 0.00 28.75 28.79 2ka0 h GLU 19 CO 0.00 0.95 0.74 0.71 -1.16 0.00 0.00 179.01 180.25 2ka0 s TYR 20 N -3.97 2.75 0.12 4.33 2.02 -0.48 -4.91 117.35 117.20 2ka0 s TYR 20 Ca -0.13 1.23 -0.29 0.00 -0.37 0.00 0.00 57.07 57.51 2ka0 s TYR 20 Cb 0.06 -3.91 -0.08 0.00 -0.40 0.00 0.00 41.96 37.63 2ka0 s TYR 20 CO 0.80 -2.66 1.60 1.49 -1.57 0.00 0.00 175.55 175.22 2ka0 h GLU 21 N 3.24 -0.53 -0.91 -0.62 4.57 -1.88 -1.34 114.58 117.10 2ka0 h GLU 21 Ca -0.50 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 57.78 2ka0 h GLU 21 Cb 1.23 0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 29.89 2ka0 h GLU 21 CO 0.65 -0.36 0.59 0.28 -1.18 0.00 0.00 179.01 179.00 2ka0 h VAL 22 N -0.55 1.07 -0.27 0.32 2.07 -1.91 -1.60 116.25 115.37 2ka0 h VAL 22 Ca 0.04 -0.35 -0.12 0.00 0.82 0.00 0.00 66.70 67.09 2ka0 h VAL 22 Cb 0.62 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2ka0 h VAL 22 CO -0.26 0.19 -0.31 0.58 0.02 0.00 0.00 177.57 177.78 2ka0 h VAL 23 N 1.03 1.28 -0.25 2.57 2.07 -1.52 0.99 116.25 122.42 2ka0 h VAL 23 Ca 0.39 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 2ka0 h VAL 23 Cb 0.19 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2ka0 h VAL 23 CO -0.15 0.45 0.14 0.11 0.02 0.00 0.00 177.57 178.15 2ka0 h LYS 24 N 0.48 0.34 -0.10 1.57 1.57 -1.08 -3.20 116.57 116.16 2ka0 h LYS 24 Ca 0.06 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 2ka0 h LYS 24 Cb 0.78 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2ka0 h LYS 24 CO 0.06 0.29 -0.43 -0.07 -0.57 0.00 0.00 179.45 178.73 2ka0 h LEU 25 N 0.30 0.23 -0.91 2.94 -0.00 -0.68 -2.70 115.31 114.49 2ka0 h LEU 25 Ca 0.09 -0.10 0.01 0.00 -0.00 0.00 0.00 57.88 57.88 2ka0 h LEU 25 Cb 0.04 -0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 40.59 2ka0 h LEU 25 CO -0.02 0.64 0.60 -0.07 -0.00 0.00 0.00 178.44 179.60 2ka0 h LEU 26 N 0.18 1.04 -1.38 1.67 -0.00 -0.86 -2.57 115.31 113.39 2ka0 h LEU 26 Ca 0.01 -0.03 0.23 0.00 -0.00 0.00 0.00 57.88 58.10 2ka0 h LEU 26 Cb 0.84 -0.26 -0.08 0.00 -0.00 0.00 0.00 40.66 41.16 2ka0 h LEU 26 CO 0.07 0.75 0.64 0.50 -0.00 0.00 0.00 178.44 180.40 2ka0 h LYS 27 N 1.23 0.43 0.00 1.13 3.64 -1.48 -0.06 116.57 121.46 2ka0 h LYS 27 Ca 0.33 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.65 2ka0 h LYS 27 Cb -0.14 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 2ka0 h LYS 27 CO -0.07 0.28 -0.19 0.93 -2.27 0.00 0.00 179.45 178.13 2ka0 h GLU 28 N 0.44 0.00 0.00 1.90 5.08 -1.59 -3.18 114.58 117.22 2ka0 h GLU 28 Ca 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 2ka0 h GLU 28 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2ka0 h GLU 28 CO -0.26 0.19 -0.38 1.63 -1.00 0.00 0.00 179.01 179.20 2ka0 n LYS 29 N -3.42 4.44 -2.95 2.33 4.76 -0.15 -4.99 118.16 118.18 2ka0 n LYS 29 Ca -0.00 -0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.06 2ka0 n LYS 29 Cb 0.38 -0.86 -0.06 0.00 -1.84 0.00 0.00 35.03 32.65 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 -1.72 4.39 0.53 -0.18 1.01 -0.54 -3.32 121.20 121.38 2ka0 s ILE 30 Ca 0.03 1.57 -0.20 0.00 0.00 0.00 0.00 60.65 62.05 2ka0 s ILE 30 Cb 0.05 -3.98 -0.06 0.00 0.01 0.00 0.00 42.46 38.49 2ka0 s ILE 30 CO 0.30 0.25 1.12 -2.16 0.00 0.00 0.00 174.94 174.45 2ka0 s PRO 31 N -1.84 3.43 0.18 2.79 0.04 -1.26 -4.95 135.00 133.39 2ka0 s PRO 31 Ca 0.44 1.60 -0.01 0.00 0.04 0.00 0.00 61.00 63.08 2ka0 s PRO 31 Cb -0.19 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2ka0 s PRO 31 CO 0.23 -0.79 0.10 -0.59 0.04 0.00 0.00 177.00 175.99 2ka0 s PHE 32 N -1.77 1.09 0.36 0.56 -0.71 -0.89 -5.01 117.98 111.60 2ka0 s PHE 32 Ca 0.72 -1.31 0.08 0.00 -1.04 0.00 0.00 56.93 55.38 2ka0 s PHE 32 Cb -0.24 -0.56 -0.05 0.00 -1.21 0.00 0.00 43.02 40.96 2ka0 s PHE 32 CO 0.27 -0.57 0.09 -1.21 -1.34 0.00 0.00 175.22 172.46 2ka0 s GLU 33 N -4.11 2.21 0.16 1.99 2.02 -1.26 -0.27 118.70 119.44 2ka0 s GLU 33 Ca 0.34 -1.70 -0.20 0.00 0.02 0.00 0.00 54.97 53.43 2ka0 s GLU 33 Cb 0.07 -2.02 0.05 0.00 0.10 0.00 0.00 34.13 32.33 2ka0 s GLU 33 CO 0.09 0.08 0.53 0.45 0.02 0.00 0.00 175.26 176.42 2ka0 s SER 34 N -3.80 -0.40 0.06 -0.19 0.15 -0.84 -4.95 113.70 103.73 2ka0 s SER 34 Ca 0.37 -0.21 -0.31 0.00 0.70 0.00 0.00 55.95 56.51 2ka0 s SER 34 Cb 0.00 0.56 -0.06 0.00 -1.71 0.00 0.00 66.02 64.81 2ka0 s SER 34 CO 0.21 -0.96 1.30 -0.69 1.20 0.00 0.00 173.24 174.30 2ka0 s VAL 35 N -3.79 3.72 -0.52 4.45 1.01 -1.26 -1.14 120.40 122.87 2ka0 s VAL 35 Ca 0.03 1.21 -0.28 0.00 0.00 0.00 0.00 61.98 62.94 2ka0 s VAL 35 Cb -0.00 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.62 2ka0 s VAL 35 CO -0.10 0.07 1.31 -0.69 0.00 0.00 0.00 175.10 175.69 2ka0 s VAL 36 N 1.37 3.95 0.15 2.92 1.01 -1.26 -4.31 120.40 124.22 2ka0 s VAL 36 Ca 0.62 0.89 -0.03 0.00 0.00 0.00 0.00 61.98 63.46 2ka0 s VAL 36 Cb -0.32 -4.49 -0.05 0.00 0.00 0.00 0.00 36.38 31.52 2ka0 s VAL 36 CO 0.29 -1.09 0.35 0.20 0.00 0.00 0.00 175.10 174.85 2ka0 s ASN 37 N 3.58 6.44 0.12 3.32 0.01 -0.46 -1.43 114.94 126.52 2ka0 s ASN 37 Ca 0.51 0.48 0.10 0.00 -0.71 0.00 0.00 52.86 53.24 2ka0 s ASN 37 Cb -0.10 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.48 2ka0 s ASN 37 CO 0.28 0.05 -0.24 0.42 -1.51 0.00 0.00 177.10 176.10 2ka0 s THR 38 N -1.69 2.00 -0.35 1.60 -4.23 -1.26 -1.51 115.64 110.19 2ka0 s THR 38 Ca 0.39 -1.65 0.03 0.00 -1.18 0.00 0.00 61.69 59.28 2ka0 s THR 38 Cb -0.12 -1.79 0.16 0.00 1.34 0.00 0.00 72.50 72.09 2ka0 s THR 38 CO 0.26 0.02 0.39 0.86 -0.54 0.00 0.00 174.62 175.61 2ka0 s TRP 39 N -1.11 -0.53 0.00 3.99 -0.00 -0.94 -5.00 118.94 115.36 2ka0 s TRP 39 Ca 0.10 -0.50 0.00 0.00 -0.00 0.00 0.00 56.10 55.70 2ka0 s TRP 39 Cb -0.10 -0.32 0.00 0.00 -0.00 0.00 0.00 33.47 33.05 2ka0 s TRP 39 CO 0.05 -0.98 0.00 0.41 -0.00 0.00 0.00 176.95 176.43 2ka0 n GLY 40 N 4.54 1.48 2.38 5.86 0.00 -1.26 -2.35 105.19 115.84 2ka0 n GLY 40 Ca 0.08 0.26 0.01 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 1.15 -4.27 1.61 1.02 -1.26 -4.94 120.64 113.95 2ka0 n GLU 41 Ca 0.00 -2.88 -0.15 0.00 -0.02 0.00 0.00 57.16 54.11 2ka0 n GLU 41 Cb 0.00 -0.97 -0.10 0.00 -0.02 0.00 0.00 31.44 30.34 2ka0 n GLU 41 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2ka0 s GLU 42 N -2.38 1.16 0.02 3.49 -1.05 -0.99 -1.15 118.70 117.80 2ka0 s GLU 42 Ca 0.28 -1.56 0.07 0.00 -0.15 0.00 0.00 54.97 53.61 2ka0 s GLU 42 Cb 0.34 -0.43 -0.02 0.00 -0.44 0.00 0.00 34.13 33.57 2ka0 s GLU 42 CO -0.08 -0.08 -0.22 0.42 0.95 0.00 0.00 175.26 176.24 2ka0 s ILE 43 N -3.53 1.79 0.11 1.83 1.01 -0.39 -2.21 121.20 119.82 2ka0 s ILE 43 Ca 0.24 -1.12 0.01 0.00 0.00 0.00 0.00 60.65 59.78 2ka0 s ILE 43 Cb 0.05 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 2ka0 s ILE 43 CO 0.04 0.36 -0.03 -0.72 0.00 0.00 0.00 174.94 174.59 2ka0 s TYR 44 N -0.67 0.92 -0.07 3.97 1.13 -0.57 -0.81 117.35 121.25 2ka0 s TYR 44 Ca 0.09 -0.99 -0.10 0.00 -1.41 0.00 0.00 57.07 54.66 2ka0 s TYR 44 Cb -0.09 -0.54 0.02 0.00 -1.10 0.00 0.00 41.96 40.25 2ka0 s TYR 44 CO 0.01 -0.23 0.26 -0.59 -2.51 0.00 0.00 175.55 172.49 2ka0 s PHE 45 N -3.71 -0.23 -0.87 -3.49 -0.71 -1.25 -1.35 117.98 106.36 2ka0 s PHE 45 Ca 0.15 0.53 -0.25 0.00 -1.04 0.00 0.00 56.93 56.33 2ka0 s PHE 45 Cb 0.06 0.08 0.00 0.00 -1.21 0.00 0.00 43.02 41.96 2ka0 s PHE 45 CO -0.03 -0.20 1.64 -1.12 -1.34 0.00 0.00 175.22 174.17 2ka0 s SER 46 N -0.28 5.82 0.65 1.98 0.01 -1.26 -1.53 113.70 119.08 2ka0 s SER 46 Ca -0.04 -0.75 -0.18 0.00 1.31 0.00 0.00 55.95 56.29 2ka0 s SER 46 Cb -0.03 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 2ka0 s SER 46 CO 0.01 -2.09 1.25 0.42 0.41 0.00 0.00 173.24 173.24 2ka0 s THR 47 N 7.35 2.28 0.18 1.44 -4.23 -0.80 -4.94 115.64 116.92 2ka0 s THR 47 Ca 0.55 0.16 -0.08 0.00 -1.18 0.00 0.00 61.69 61.15 2ka0 s THR 47 Cb -0.05 -2.99 0.02 0.00 1.34 0.00 0.00 72.50 70.82 2ka0 s THR 47 CO 0.02 -0.05 1.59 1.55 -0.54 0.00 0.00 174.62 177.19 2ka0 h PRO 48 N 0.47 0.92 -7.20 3.99 0.13 -1.94 -3.44 132.00 124.93 2ka0 h PRO 48 Ca -0.50 -0.38 -0.52 0.00 -0.87 0.00 0.00 66.00 63.73 2ka0 h PRO 48 Cb 1.32 -0.04 0.12 0.00 0.13 0.00 0.00 31.00 32.53 2ka0 h PRO 48 CO 0.53 1.04 0.37 0.54 -0.23 0.00 0.00 178.00 180.25 2ka0 s VAL 49 N -4.67 2.93 -0.41 1.56 0.11 -1.26 -5.01 120.40 113.64 2ka0 s VAL 49 Ca -0.11 0.42 0.09 0.00 -2.93 0.00 0.00 61.98 59.46 2ka0 s VAL 49 Cb 0.13 -2.93 0.36 0.00 -1.53 0.00 0.00 36.38 32.40 2ka0 s VAL 49 CO 0.86 -0.27 1.11 -0.46 -3.33 0.00 0.00 175.10 173.00 2ka0 n ASN 50 N -2.64 -1.31 -4.69 3.54 0.23 -1.26 -4.81 115.26 104.31 2ka0 n ASN 50 Ca 0.11 -3.14 -0.26 0.00 -0.53 0.00 0.00 54.58 50.76 2ka0 n ASN 50 Cb 0.52 1.00 0.10 0.00 -2.08 0.00 0.00 39.78 39.32 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 -0.55 2.17 0.00 3.53 -7.23 -1.26 -5.05 120.40 112.02 2ka0 s VAL 51 Ca 0.25 -0.26 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 2ka0 s VAL 51 Cb 0.35 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 34.37 2ka0 s VAL 51 CO -0.06 0.00 0.68 0.00 -0.31 0.00 0.00 175.10 175.41 2ka0 n GLN 52 N -3.12 0.00 -2.20 4.82 -0.00 -1.26 -4.63 117.38 110.99 2ka0 n GLN 52 Ca 0.11 -0.67 -0.42 0.00 -0.00 0.00 0.00 57.00 56.02 2ka0 n GLN 52 Cb 0.60 -0.47 -0.03 0.00 -0.00 0.00 0.00 30.24 30.34 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 0.00 4.31 -0.35 2.61 2.20 -1.26 -5.00 119.74 122.25 2ka0 s LYS 53 Ca 0.00 2.02 -0.00 0.00 -0.36 0.00 0.00 55.97 57.62 2ka0 s LYS 53 Cb 0.00 -3.41 0.12 0.00 -1.51 0.00 0.00 37.83 33.03 2ka0 s LYS 53 CO 0.00 -0.49 0.18 0.00 -0.36 0.00 0.00 175.35 174.67 2ka0 s MET 54 N 1.71 0.67 0.02 4.03 0.23 -1.26 -4.82 119.30 119.88 2ka0 s MET 54 Ca 0.64 -1.27 -0.19 0.00 -1.03 0.00 0.00 55.69 53.85 2ka0 s MET 54 Cb -0.34 -1.64 -0.22 0.00 -1.53 0.00 0.00 34.83 31.09 2ka0 s MET 54 CO 0.29 -1.12 1.14 0.93 -2.03 0.00 0.00 175.02 174.23 2ka0 h GLU 55 N 7.45 0.47 -2.29 3.16 4.39 -1.97 -3.38 114.58 122.41 2ka0 h GLU 55 Ca -0.05 -0.48 -0.63 0.00 0.34 0.00 0.00 59.36 58.55 2ka0 h GLU 55 Cb 0.98 0.13 -0.40 0.00 -0.10 0.00 0.00 28.75 29.36 2ka0 h GLU 55 CO 0.39 1.12 -0.40 0.27 -1.16 0.00 0.00 179.01 179.23 2ka0 n ASN 56 N -4.17 4.43 -4.76 1.42 6.94 -1.26 -5.09 115.26 112.76 2ka0 n ASN 56 Ca -0.10 -3.53 -0.33 0.00 -0.02 0.00 0.00 54.58 50.60 2ka0 n ASN 56 Cb 0.68 -0.71 0.06 0.00 -2.36 0.00 0.00 39.78 37.45 2ka0 n ASN 56 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2ka0 s PRO 57 N -2.92 2.60 0.06 -0.53 0.04 -1.26 -2.28 135.00 130.71 2ka0 s PRO 57 Ca 0.42 1.44 -0.06 0.00 0.04 0.00 0.00 61.00 62.83 2ka0 s PRO 57 Cb 0.18 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.79 2ka0 s PRO 57 CO -0.05 -1.41 0.12 1.03 0.04 0.00 0.00 177.00 176.73 2ka0 s ARG 58 N -4.14 0.70 0.00 4.56 1.81 -1.06 -4.89 118.95 115.93 2ka0 s ARG 58 Ca 0.68 -0.90 0.00 0.00 -1.72 0.00 0.00 55.73 53.79 2ka0 s ARG 58 Cb -0.22 0.28 0.01 0.00 -0.45 0.00 0.00 34.95 34.57 2ka0 s ARG 58 CO 0.44 -0.19 0.79 0.39 -0.68 0.00 0.00 175.30 176.04 2ka0 n GLU 59 N 0.33 1.22 -3.96 3.54 1.02 -1.26 -3.02 120.64 118.50 2ka0 n GLU 59 Ca -0.17 -1.07 -0.11 0.00 -0.02 0.00 0.00 57.16 55.79 2ka0 n GLU 59 Cb 0.60 -1.01 -0.13 0.00 -0.02 0.00 0.00 31.44 30.89 2ka0 n GLU 59 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2ka0 s VAL 60 N -0.56 0.13 0.33 2.62 1.01 -1.26 -4.31 120.40 118.35 2ka0 s VAL 60 Ca 0.01 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.57 2ka0 s VAL 60 Cb 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.16 2ka0 s VAL 60 CO 0.01 -0.23 0.28 0.68 0.00 0.00 0.00 175.10 175.84 2ka0 s VAL 61 N -0.74 0.00 0.00 2.92 -7.23 -0.90 -4.99 120.40 109.45 2ka0 s VAL 61 Ca -0.07 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 2ka0 s VAL 61 Cb -0.05 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.38 2ka0 s VAL 61 CO -0.00 0.00 0.00 -0.62 -0.31 0.00 0.00 175.10 174.17 2ka0 n GLU 62 N -0.63 0.59 0.00 4.82 -0.58 -1.26 -4.43 120.64 119.15 2ka0 n GLU 62 Ca 0.08 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.94 2ka0 n GLU 62 Cb 0.62 0.00 0.26 0.00 -0.57 0.00 0.00 31.44 31.75 2ka0 n GLU 62 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2ka0 n ILE 63 N -1.38 0.00 -3.47 -3.67 5.41 -1.26 -4.41 119.36 110.58 2ka0 n ILE 63 Ca 0.00 -0.04 -0.28 0.00 1.00 0.00 0.00 62.75 63.44 2ka0 n ILE 63 Cb 0.00 0.35 -0.11 0.00 -0.71 0.00 0.00 39.64 39.17 2ka0 n ILE 63 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2ka0 s GLY 64 N -2.86 1.28 0.18 7.39 0.00 -1.26 -4.14 107.32 107.90 2ka0 s GLY 64 Ca 0.14 -2.42 0.03 0.00 0.00 0.00 0.00 44.72 42.48 2ka0 s GLY 64 CO 0.66 2.00 0.17 1.22 0.00 0.00 0.00 173.10 177.14 2ka0 n ASP 65 N 3.12 -0.43 -3.90 1.64 8.00 -1.26 -4.70 116.55 119.02 2ka0 n ASP 65 Ca 0.23 -2.15 -0.09 0.00 0.71 0.00 0.00 54.79 53.49 2ka0 n ASP 65 Cb 0.43 0.96 -0.07 0.00 -0.02 0.00 0.00 41.12 42.42 2ka0 n ASP 65 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2ka0 s VAL 66 N -2.71 0.09 -0.20 2.53 -7.23 -1.26 -3.54 120.40 108.08 2ka0 s VAL 66 Ca 0.21 -1.26 -0.27 0.00 -1.81 0.00 0.00 61.98 58.84 2ka0 s VAL 66 Cb 0.01 -1.64 0.10 0.00 0.56 0.00 0.00 36.38 35.40 2ka0 s VAL 66 CO 0.15 -0.40 0.85 -0.83 -0.31 0.00 0.00 175.10 174.55 2ka0 s GLY 67 N -2.92 -0.39 0.84 2.32 0.00 -0.72 -4.55 107.32 101.89 2ka0 s GLY 67 Ca 0.12 2.04 -0.11 0.00 0.00 0.00 0.00 44.72 46.78 2ka0 s GLY 67 CO -0.04 1.45 1.09 -2.52 0.00 0.00 0.00 173.10 173.08 2ka0 s TYR 68 N -0.31 2.50 -0.40 1.90 1.13 -1.25 -0.42 117.35 120.50 2ka0 s TYR 68 Ca -0.02 1.32 0.02 0.00 -1.41 0.00 0.00 57.07 56.98 2ka0 s TYR 68 Cb -0.03 -3.11 0.15 0.00 -1.10 0.00 0.00 41.96 37.86 2ka0 s TYR 68 CO 0.01 -2.09 0.26 -0.46 -2.51 0.00 0.00 175.55 170.76 2ka0 s TRP 69 N -2.97 1.22 0.45 -3.49 -0.00 0.20 -4.18 118.94 110.17 2ka0 s TRP 69 Ca 0.62 -2.04 0.21 0.00 -0.00 0.00 0.00 56.10 54.89 2ka0 s TRP 69 Cb -0.17 -1.22 1.27 0.00 -0.00 0.00 0.00 33.47 33.35 2ka0 s TRP 69 CO 0.56 -0.81 2.06 -1.00 -0.00 0.00 0.00 176.95 177.76 2ka0 h PRO 70 N 6.57 0.00 0.00 5.86 0.13 -1.82 -0.38 132.00 142.36 2ka0 h PRO 70 Ca 0.09 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.12 2ka0 h PRO 70 Cb 0.94 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 2ka0 h PRO 70 CO 0.36 0.13 -0.49 -1.00 -0.23 0.00 0.00 178.00 176.77 2ka0 h PRO 71 N 0.00 0.00 -0.29 1.56 0.13 -1.95 -2.92 132.00 128.53 2ka0 h PRO 71 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2ka0 h PRO 71 Cb 0.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.41 2ka0 h PRO 71 CO 0.02 0.49 0.00 0.41 -0.23 0.00 0.00 178.00 178.69 2ka0 n GLY 72 N 0.17 2.78 3.92 1.56 0.00 -1.21 -5.01 105.19 107.41 2ka0 n GLY 72 Ca -0.01 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 0.35 -1.60 -4.53 1.61 5.02 -0.57 -4.88 118.16 113.56 2ka0 n LYS 73 Ca 0.10 0.31 -0.26 0.00 -2.02 0.00 0.00 58.31 56.44 2ka0 n LYS 73 Cb 0.40 -3.82 -0.08 0.00 -0.02 0.00 0.00 35.03 31.50 2ka0 n LYS 73 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ka0 s ALA 74 N -3.73 2.94 0.54 7.82 0.00 -0.26 -1.90 121.76 127.17 2ka0 s ALA 74 Ca 0.28 -1.28 0.07 0.00 0.00 0.00 0.00 51.96 51.03 2ka0 s ALA 74 Cb -0.12 0.68 0.06 0.00 0.00 0.00 0.00 23.12 23.74 2ka0 s ALA 74 CO 0.91 -0.31 0.74 -1.17 0.00 0.00 0.00 175.76 175.94 2ka0 s LEU 75 N -3.61 3.29 -0.09 0.00 1.98 -0.59 -0.63 118.68 119.03 2ka0 s LEU 75 Ca 0.24 -0.53 -0.07 0.00 -2.89 0.00 0.00 54.13 50.87 2ka0 s LEU 75 Cb 0.03 -2.18 0.03 0.00 0.66 0.00 0.00 46.19 44.73 2ka0 s LEU 75 CO 0.14 -1.20 0.24 0.00 -1.89 0.00 0.00 176.35 173.64 2ka0 s LEU 77 N 0.44 2.92 -0.15 0.00 1.02 0.01 -1.76 118.68 121.16 2ka0 s LEU 77 Ca -0.03 -1.28 -0.06 0.00 0.02 0.00 0.00 54.13 52.79 2ka0 s LEU 77 Cb -0.04 -1.31 -0.04 0.00 0.02 0.00 0.00 46.19 44.82 2ka0 s LEU 77 CO -0.02 -0.22 0.04 -0.36 0.02 0.00 0.00 176.35 175.81 2ka0 s PHE 78 N 1.28 3.23 -0.13 0.29 0.08 -1.23 -1.26 117.98 120.25 2ka0 s PHE 78 Ca -0.06 0.09 0.18 0.00 0.12 0.00 0.00 56.93 57.26 2ka0 s PHE 78 Cb -0.19 -1.98 0.37 0.00 -0.57 0.00 0.00 43.02 40.64 2ka0 s PHE 78 CO -0.06 0.26 1.18 1.97 -0.10 0.00 0.00 175.22 178.47 2ka0 n PHE 79 N 3.06 0.04 0.00 0.36 1.16 -0.30 -4.27 117.46 117.51 2ka0 n PHE 79 Ca -0.17 -1.18 0.00 0.00 -1.87 0.00 0.00 57.45 54.22 2ka0 n PHE 79 Cb 0.53 0.23 0.00 0.00 -1.61 0.00 0.00 39.48 38.62 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 -0.25 1.95 0.00 4.97 0.00 -1.24 -4.98 105.19 105.64 2ka0 n GLY 80 Ca -0.04 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2ka0 n GLY 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ka0 n LYS 81 N 0.00 0.94 -1.26 1.61 4.81 -1.26 -4.69 118.16 118.31 2ka0 n LYS 81 Ca 0.00 -0.85 0.16 0.00 -0.87 0.00 0.00 58.31 56.75 2ka0 n LYS 81 Cb 0.00 -0.85 -0.07 0.00 0.02 0.00 0.00 35.03 34.13 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 -0.21 -0.19 0.95 3.15 -2.24 -1.26 -4.58 114.28 109.90 2ka0 n THR 82 Ca 0.00 0.52 0.09 0.00 -2.27 0.00 0.00 64.05 62.40 2ka0 n THR 82 Cb 0.22 -0.95 0.29 0.00 -2.10 0.00 0.00 70.33 67.79 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 -4.08 1.90 -3.15 -0.78 -0.04 -1.26 -4.53 135.00 123.05 2ka0 n PRO 83 Ca -0.05 -1.37 -0.22 0.00 -0.04 0.00 0.00 63.50 61.82 2ka0 n PRO 83 Cb 0.59 -1.39 -0.05 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.59 1.70 -3.90 0.54 1.56 -1.26 -5.07 117.12 111.28 2ka0 n MET 84 Ca 0.16 -3.89 -0.09 0.00 -0.27 0.00 0.00 57.70 53.61 2ka0 n MET 84 Cb 0.37 -1.82 -0.01 0.00 2.15 0.00 0.00 33.22 33.91 2ka0 n MET 84 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 2ka0 s SER 85 N -2.49 0.07 0.03 6.12 1.04 -1.26 -4.39 113.70 112.82 2ka0 s SER 85 Ca 0.42 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2ka0 s SER 85 Cb 0.28 0.75 0.00 0.00 0.10 0.00 0.00 66.02 67.14 2ka0 s SER 85 CO -0.09 -1.45 0.00 -0.67 0.98 0.00 0.00 173.24 172.01 2ka0 n ASP 86 N -0.99 -0.17 -0.01 7.02 -0.08 -1.26 -5.01 116.55 116.05 2ka0 n ASP 86 Ca -0.05 0.06 -0.03 0.00 -1.51 0.00 0.00 54.79 53.26 2ka0 n ASP 86 Cb 0.60 0.36 -0.02 0.00 2.34 0.00 0.00 41.12 44.40 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 -0.08 -4.06 1.67 3.32 -1.98 -3.48 116.42 111.81 2ka0 h ASP 87 Ca 0.00 -0.09 -0.38 0.00 0.02 0.00 0.00 57.03 56.58 2ka0 h ASP 87 Cb 0.00 0.02 -0.14 0.00 0.22 0.00 0.00 39.33 39.43 2ka0 h ASP 87 CO 0.00 0.45 -0.63 -1.59 -1.72 0.00 0.00 179.24 175.75 2ka0 s LYS 88 N -1.97 1.42 -0.08 3.56 -2.85 -1.26 -5.11 119.74 113.46 2ka0 s LYS 88 Ca -0.03 -1.76 -0.30 0.00 -1.00 0.00 0.00 55.97 52.88 2ka0 s LYS 88 Cb -0.00 -0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 35.24 2ka0 s LYS 88 CO 0.11 -0.21 1.40 0.42 0.10 0.00 0.00 175.35 177.18 2ka0 s ILE 89 N -3.56 3.92 0.03 3.79 1.09 -1.26 -4.76 121.20 120.45 2ka0 s ILE 89 Ca 0.34 1.19 0.05 0.00 -1.10 0.00 0.00 60.65 61.13 2ka0 s ILE 89 Cb 0.07 -3.77 -0.02 0.00 -1.06 0.00 0.00 42.46 37.69 2ka0 s ILE 89 CO 0.12 -0.06 -0.14 -1.10 -0.10 0.00 0.00 174.94 173.65 2ka0 s GLN 90 N 3.18 0.99 0.98 2.79 -0.21 -1.26 -2.12 119.66 124.01 2ka0 s GLN 90 Ca 0.62 -0.70 -0.14 0.00 0.02 0.00 0.00 55.36 55.16 2ka0 s GLN 90 Cb -0.28 -0.99 0.18 0.00 1.00 0.00 0.00 33.01 32.92 2ka0 s GLN 90 CO 0.23 0.25 1.17 -1.25 -2.12 0.00 0.00 175.29 173.57 2ka0 s PRO 91 N -0.94 0.56 0.33 2.91 0.04 -1.26 -4.68 135.00 131.96 2ka0 s PRO 91 Ca 0.03 0.07 0.06 0.00 0.04 0.00 0.00 61.00 61.19 2ka0 s PRO 91 Cb -0.07 -1.79 0.57 0.00 0.04 0.00 0.00 34.50 33.25 2ka0 s PRO 91 CO 0.01 -2.54 1.81 0.00 0.04 0.00 0.00 177.00 176.31 2ka0 h ALA 92 N -1.74 1.28 -2.83 8.56 0.00 -1.97 -3.46 119.26 119.10 2ka0 h ALA 92 Ca -0.48 -0.29 -0.25 0.00 0.00 0.00 0.00 54.91 53.89 2ka0 h ALA 92 Cb 1.30 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.88 2ka0 h ALA 92 CO 0.51 0.48 -0.32 0.45 0.00 0.00 0.00 179.25 180.37 2ka0 s SER 93 N -6.83 0.67 -0.52 0.00 0.15 -1.26 -5.09 113.70 100.81 2ka0 s SER 93 Ca -0.06 -1.40 -0.26 0.00 0.70 0.00 0.00 55.95 54.93 2ka0 s SER 93 Cb 0.14 0.57 -0.05 0.00 -1.71 0.00 0.00 66.02 64.97 2ka0 s SER 93 CO 0.76 -1.13 2.22 0.00 1.20 0.00 0.00 173.24 176.29 2ka0 s ALA 94 N -3.55 1.84 0.83 5.45 0.00 -1.26 -4.90 121.76 120.17 2ka0 s ALA 94 Ca 0.32 -0.18 -0.04 0.00 0.00 0.00 0.00 51.96 52.06 2ka0 s ALA 94 Cb 0.02 -4.33 0.07 0.00 0.00 0.00 0.00 23.12 18.88 2ka0 s ALA 94 CO 0.17 -4.23 0.43 1.33 0.00 0.00 0.00 175.76 173.46 2ka0 n VAL 95 N 7.73 0.00 -4.16 0.00 0.24 -1.17 -4.86 118.33 116.11 2ka0 n VAL 95 Ca 0.31 -0.42 -0.24 0.00 -2.04 0.00 0.00 64.34 61.95 2ka0 n VAL 95 Cb 0.54 -1.62 -0.17 0.00 -1.47 0.00 0.00 33.84 31.12 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 -2.63 1.73 -1.31 -1.34 2.47 -1.26 -2.55 114.94 110.06 2ka0 s ASN 96 Ca 0.26 -0.24 -0.06 0.00 0.42 0.00 0.00 52.86 53.23 2ka0 s ASN 96 Cb -0.01 -0.71 0.13 0.00 -1.45 0.00 0.00 41.25 39.21 2ka0 s ASN 96 CO 0.18 -0.07 2.28 0.52 -3.72 0.00 0.00 177.10 176.29 2ka0 n VAL 97 N 4.42 5.11 0.83 -5.21 0.31 -0.97 -3.74 118.33 119.09 2ka0 n VAL 97 Ca -0.18 -4.39 0.12 0.00 -0.01 0.00 0.00 64.34 59.89 2ka0 n VAL 97 Cb 0.51 -2.11 0.52 0.00 -0.91 0.00 0.00 33.84 31.85 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 1.95 0.32 -4.40 2.52 -5.35 -1.26 -4.89 119.36 108.26 2ka0 n ILE 98 Ca 0.58 0.05 -0.26 0.00 -0.27 0.00 0.00 62.75 62.85 2ka0 n ILE 98 Cb 0.27 -0.65 -0.09 0.00 -1.74 0.00 0.00 39.64 37.42 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 -3.06 2.25 -0.13 3.28 0.00 -1.26 -1.88 107.32 106.52 2ka0 s GLY 99 Ca 0.12 -2.10 -0.06 0.00 0.00 0.00 0.00 44.72 42.67 2ka0 s GLY 99 CO 0.46 -1.97 0.30 1.25 0.00 0.00 0.00 173.10 173.14 2ka0 s LYS 100 N -3.74 0.26 -0.56 2.90 2.20 -0.47 -4.56 119.74 115.77 2ka0 s LYS 100 Ca 0.36 0.63 -0.27 0.00 -0.36 0.00 0.00 55.97 56.33 2ka0 s LYS 100 Cb 0.04 -0.08 -0.09 0.00 -1.51 0.00 0.00 37.83 36.19 2ka0 s LYS 100 CO 0.19 -0.17 2.45 -0.89 -0.36 0.00 0.00 175.35 176.57 2ka0 n ILE 101 N 4.35 -0.06 0.07 5.43 5.41 -1.26 -0.74 119.36 132.56 2ka0 n ILE 101 Ca -0.23 -0.68 -0.15 0.00 1.00 0.00 0.00 62.75 62.69 2ka0 n ILE 101 Cb 0.53 -2.46 -0.07 0.00 -0.71 0.00 0.00 39.64 36.93 2ka0 n ILE 101 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 176.55 176.18 2ka0 h VAL 102 N 7.73 1.39 -3.69 1.39 -1.51 -1.66 -3.45 116.25 116.45 2ka0 h VAL 102 Ca -0.22 -2.51 -0.08 0.00 -1.23 0.00 0.00 66.70 62.67 2ka0 h VAL 102 Cb 1.28 2.50 -0.12 0.00 -2.13 0.00 0.00 31.29 32.82 2ka0 h VAL 102 CO 1.19 0.75 -0.22 -1.61 -1.23 0.00 0.00 177.57 176.45 2ka0 s GLU 103 N -3.17 1.17 -0.87 5.19 0.41 -1.07 -4.93 118.70 115.43 2ka0 s GLU 103 Ca -0.06 -1.04 -0.01 0.00 -0.41 0.00 0.00 54.97 53.45 2ka0 s GLU 103 Cb 0.08 0.42 0.00 0.00 -1.78 0.00 0.00 34.13 32.85 2ka0 s GLU 103 CO 0.88 -0.45 0.19 0.41 -0.49 0.00 0.00 175.26 175.80 2ka0 n GLY 104 N -0.23 -0.01 0.17 -1.39 0.00 -1.26 -1.64 105.19 100.82 2ka0 n GLY 104 Ca -0.10 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.44 -0.33 -0.51 0.99 5.85 -1.91 -2.83 115.31 116.13 2ka0 h LEU 105 Ca -0.27 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 2ka0 h LEU 105 Cb 1.19 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 2ka0 h LEU 105 CO 0.30 -0.20 -0.10 1.05 -0.34 0.00 0.00 178.44 179.15 2ka0 h GLU 106 N -0.30 0.00 0.00 1.25 4.11 -1.96 -3.04 114.58 114.64 2ka0 h GLU 106 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2ka0 h GLU 106 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2ka0 h GLU 106 CO -0.01 0.10 0.00 -0.25 0.07 0.00 0.00 179.01 178.92 2ka0 n ASP 107 N -3.15 0.00 0.12 3.06 9.92 -1.07 -1.43 116.55 123.99 2ka0 n ASP 107 Ca 0.02 0.49 -0.23 0.00 -0.53 0.00 0.00 54.79 54.54 2ka0 n ASP 107 Cb 0.49 -0.49 -0.15 0.00 -0.64 0.00 0.00 41.12 40.32 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 0.76 -0.49 0.64 3.38 -1.57 -3.34 115.31 114.69 2ka0 h LEU 108 Ca 0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 2ka0 h LEU 108 Cb 0.04 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2ka0 h LEU 108 CO 0.00 1.62 0.00 0.29 0.09 0.00 0.00 178.44 180.44 2ka0 n LYS 109 N -3.84 0.08 -0.52 1.13 5.02 -0.52 -2.19 118.16 117.33 2ka0 n LYS 109 Ca -0.16 0.44 0.09 0.00 -2.02 0.00 0.00 58.31 56.66 2ka0 n LYS 109 Cb 1.02 -1.69 0.32 0.00 -0.02 0.00 0.00 35.03 34.66 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 -1.85 3.45 -4.15 1.97 2.85 -1.25 -4.93 118.16 114.25 2ka0 n LYS 110 Ca 0.01 -2.75 -0.34 0.00 -1.05 0.00 0.00 58.31 54.17 2ka0 n LYS 110 Cb 0.11 -1.77 -0.12 0.00 -0.65 0.00 0.00 35.03 32.60 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 -1.75 4.17 1.11 0.58 -1.09 -0.93 -4.76 121.20 118.53 2ka0 s ILE 111 Ca 0.46 -0.25 -0.16 0.00 -2.23 0.00 0.00 60.65 58.47 2ka0 s ILE 111 Cb 0.30 -2.87 0.24 0.00 -1.58 0.00 0.00 42.46 38.55 2ka0 s ILE 111 CO 0.23 0.45 1.11 -0.54 -1.23 0.00 0.00 174.94 174.96 2ka0 s LYS 112 N 0.67 -0.46 0.00 2.79 -0.14 -1.26 -4.92 119.74 116.41 2ka0 s LYS 112 Ca 0.00 0.16 -0.05 0.00 -1.36 0.00 0.00 55.97 54.72 2ka0 s LYS 112 Cb -0.14 -1.66 -0.21 0.00 -1.68 0.00 0.00 37.83 34.14 2ka0 s LYS 112 CO 0.02 -3.25 3.00 -3.47 -0.76 0.00 0.00 175.35 170.88 2ka0 n ASP 113 N -4.48 4.28 0.00 2.83 2.03 -1.26 -4.20 116.55 115.75 2ka0 n ASP 113 Ca 0.10 -2.29 0.00 0.00 0.52 0.00 0.00 54.79 53.11 2ka0 n ASP 113 Cb 0.59 -1.15 0.00 0.00 -0.72 0.00 0.00 41.12 39.84 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 2.55 0.06 1.11 0.27 0.00 -0.51 -4.77 105.19 103.90 2ka0 n GLY 114 Ca 0.34 0.33 0.03 0.00 0.00 0.00 0.00 46.02 46.72 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 0.11 -3.53 1.61 -0.58 -1.26 -4.91 120.64 112.07 2ka0 n GLU 115 Ca 0.00 -1.77 -0.28 0.00 -0.42 0.00 0.00 57.16 54.69 2ka0 n GLU 115 Cb 0.00 -0.27 0.02 0.00 -0.57 0.00 0.00 31.44 30.62 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 0.22 -1.78 -2.02 3.49 5.02 -1.25 -1.28 118.16 120.56 2ka0 n LYS 116 Ca 0.05 1.23 -0.41 0.00 -2.02 0.00 0.00 58.31 57.16 2ka0 n LYS 116 Cb 0.98 -2.71 -0.03 0.00 -0.02 0.00 0.00 35.03 33.25 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 -2.28 3.43 -0.66 -0.18 0.11 -0.29 -4.43 120.40 116.10 2ka0 s VAL 117 Ca 0.20 0.38 -0.26 0.00 -2.93 0.00 0.00 61.98 59.36 2ka0 s VAL 117 Cb -0.02 -3.76 0.04 0.00 -1.53 0.00 0.00 36.38 31.10 2ka0 s VAL 117 CO 0.87 -0.61 1.18 0.00 -3.33 0.00 0.00 175.10 173.21 2ka0 s ALA 118 N 7.90 2.91 -0.07 1.54 0.00 0.81 -1.99 121.76 132.85 2ka0 s ALA 118 Ca 0.75 -1.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.14 2ka0 s ALA 118 Cb -0.18 -4.09 -0.03 0.00 0.00 0.00 0.00 23.12 18.82 2ka0 s ALA 118 CO 0.28 -2.95 1.28 0.08 0.00 0.00 0.00 175.76 174.45 2ka0 s VAL 119 N 5.11 4.11 0.31 0.00 1.01 0.63 -1.19 120.40 130.38 2ka0 s VAL 119 Ca 0.35 1.42 0.03 0.00 0.00 0.00 0.00 61.98 63.78 2ka0 s VAL 119 Cb -0.09 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 2ka0 s VAL 119 CO 0.18 -0.04 0.11 -0.13 0.00 0.00 0.00 175.10 175.22 2ka0 s ARG 120 N 2.70 1.59 0.14 2.72 0.52 -0.20 -2.10 118.95 124.31 2ka0 s ARG 120 Ca 0.58 -1.89 0.20 0.00 -0.52 0.00 0.00 55.73 54.10 2ka0 s ARG 120 Cb -0.26 -0.38 0.83 0.00 0.52 0.00 0.00 34.95 35.66 2ka0 s ARG 120 CO 0.21 -0.35 1.62 1.19 0.02 0.00 0.00 175.30 177.99 2ka0 n PHE 121 N -0.61 0.44 -2.71 -0.53 3.72 -1.26 -0.47 117.46 116.04 2ka0 n PHE 121 Ca -0.01 0.17 -0.04 0.00 -0.05 0.00 0.00 57.45 57.51 2ka0 n PHE 121 Cb 0.66 -0.77 -0.04 0.00 -0.94 0.00 0.00 39.48 38.39 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 -1.65 -3.15 0.00 4.37 0.00 -1.26 -2.34 120.51 116.48 2ka0 n ALA 122 Ca 0.03 1.88 0.00 0.00 0.00 0.00 0.00 53.44 55.35 2ka0 n ALA 122 Cb 0.22 -3.79 0.00 0.00 0.00 0.00 0.00 19.45 15.88 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 1.84 0.00 0.00 0.00 3.41 -1.26 -4.73 113.62 112.89 2ka0 n SER 123 Ca -0.32 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 2ka0 n SER 123 Cb 0.51 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 2ka0 n SER 123 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68