#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka0 s ARG 2 N 0.00 0.84 -0.25 2.12 3.00 -1.26 -0.66 118.95 122.74 2ka0 s ARG 2 Ca 0.00 1.00 -0.02 0.00 0.00 0.00 0.00 55.73 56.71 2ka0 s ARG 2 Cb 0.00 -1.75 0.14 0.00 0.00 0.00 0.00 34.95 33.34 2ka0 s ARG 2 CO 0.00 -2.58 0.38 0.08 0.00 0.00 0.00 175.30 173.18 2ka0 s VAL 3 N -2.78 -0.60 -0.04 3.52 1.01 0.16 -4.30 120.40 117.38 2ka0 s VAL 3 Ca 0.65 -0.12 -0.28 0.00 0.00 0.00 0.00 61.98 62.23 2ka0 s VAL 3 Cb -0.20 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 2ka0 s VAL 3 CO 0.59 -0.16 0.91 -0.70 0.00 0.00 0.00 175.10 175.74 2ka0 s GLU 4 N 2.54 4.49 -0.36 2.72 2.12 -1.25 -0.72 118.70 128.24 2ka0 s GLU 4 Ca 0.12 1.27 -0.16 0.00 0.36 0.00 0.00 54.97 56.56 2ka0 s GLU 4 Cb -0.15 -3.48 -0.00 0.00 0.26 0.00 0.00 34.13 30.76 2ka0 s GLU 4 CO -0.19 -0.09 0.40 -0.51 -0.54 0.00 0.00 175.26 174.34 2ka0 s LEU 5 N 1.20 4.51 -0.15 2.70 2.01 0.20 -2.17 118.68 126.98 2ka0 s LEU 5 Ca 0.47 -0.29 -0.11 0.00 0.01 0.00 0.00 54.13 54.21 2ka0 s LEU 5 Cb -0.20 -2.38 -0.05 0.00 0.01 0.00 0.00 46.19 43.58 2ka0 s LEU 5 CO 0.23 -0.41 0.21 -0.22 1.01 0.00 0.00 176.35 177.18 2ka0 s LEU 6 N 2.09 4.29 0.48 1.79 0.20 -0.28 -1.15 118.68 126.09 2ka0 s LEU 6 Ca 0.13 0.44 0.02 0.00 0.69 0.00 0.00 54.13 55.41 2ka0 s LEU 6 Cb -0.16 -2.23 -0.02 0.00 -0.43 0.00 0.00 46.19 43.35 2ka0 s LEU 6 CO 0.12 0.22 0.04 -0.36 -0.29 0.00 0.00 176.35 176.08 2ka0 s PHE 7 N -0.05 1.84 0.32 5.38 0.08 0.07 -0.19 117.98 125.43 2ka0 s PHE 7 Ca 0.14 -1.06 0.18 0.00 0.12 0.00 0.00 56.93 56.31 2ka0 s PHE 7 Cb -0.12 -1.47 0.90 0.00 -0.57 0.00 0.00 43.02 41.75 2ka0 s PHE 7 CO 0.03 0.06 1.86 0.93 -0.10 0.00 0.00 175.22 178.00 2ka0 h GLU 8 N 1.47 0.00 0.00 0.44 5.08 -1.17 -3.33 114.58 117.07 2ka0 h GLU 8 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2ka0 h GLU 8 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2ka0 h GLU 8 CO 0.69 0.30 -0.30 0.43 -1.00 0.00 0.00 179.01 179.13 2ka0 n SER 9 N -3.80 0.50 -0.38 1.42 7.64 -1.26 -5.10 113.62 112.65 2ka0 n SER 9 Ca -0.01 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.30 2ka0 n SER 9 Cb 0.39 1.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.61 2ka0 n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ka0 n GLY 10 N 1.20 1.12 3.45 0.23 0.00 -1.25 -4.98 105.19 104.95 2ka0 n GLY 10 Ca 0.01 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.14 0.93 0.38 1.61 -2.85 -1.26 -0.75 119.74 117.66 2ka0 s LYS 11 Ca 0.00 0.20 0.04 0.00 -1.00 0.00 0.00 55.97 55.21 2ka0 s LYS 11 Cb 0.00 0.43 -0.05 0.00 -2.06 0.00 0.00 37.83 36.15 2ka0 s LYS 11 CO 0.00 -0.27 0.06 0.00 0.10 0.00 0.00 175.35 175.24 2ka0 s VAL 13 N -3.13 0.13 0.27 0.00 1.01 -0.03 -0.63 120.40 118.02 2ka0 s VAL 13 Ca 0.31 0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.56 2ka0 s VAL 13 Cb 0.07 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 2ka0 s VAL 13 CO 0.14 0.17 0.01 0.27 0.00 0.00 0.00 175.10 175.69 2ka0 s ILE 14 N 1.43 3.52 -0.19 2.22 -4.36 0.10 -1.52 121.20 122.41 2ka0 s ILE 14 Ca -0.04 -1.87 0.01 0.00 -0.26 0.00 0.00 60.65 58.49 2ka0 s ILE 14 Cb -0.13 -2.89 0.04 0.00 1.25 0.00 0.00 42.46 40.73 2ka0 s ILE 14 CO -0.03 -0.37 -0.11 1.51 0.24 0.00 0.00 174.94 176.18 2ka0 s ASP 15 N -3.69 3.26 -0.03 4.36 -4.77 -1.20 -0.66 116.67 113.94 2ka0 s ASP 15 Ca 0.32 -0.81 0.07 0.00 -3.30 0.00 0.00 52.55 48.83 2ka0 s ASP 15 Cb -0.06 -1.23 -0.02 0.00 -1.09 0.00 0.00 42.92 40.51 2ka0 s ASP 15 CO 0.20 -0.12 -0.24 -0.76 0.70 0.00 0.00 175.17 174.95 2ka0 s LEU 16 N 1.41 2.15 -0.07 2.11 1.43 0.17 -2.00 118.68 123.87 2ka0 s LEU 16 Ca 0.00 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.55 2ka0 s LEU 16 Cb -0.15 -1.38 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 2ka0 s LEU 16 CO -0.09 0.30 0.27 0.21 0.23 0.00 0.00 176.35 177.28 2ka0 s ASN 17 N -0.50 6.58 -0.02 2.29 2.47 -1.24 -0.87 114.94 123.65 2ka0 s ASN 17 Ca 0.07 0.69 0.00 0.00 0.42 0.00 0.00 52.86 54.04 2ka0 s ASN 17 Cb -0.11 -2.16 0.02 0.00 -1.45 0.00 0.00 41.25 37.54 2ka0 s ASN 17 CO 0.00 0.34 1.67 -0.62 -3.72 0.00 0.00 177.10 174.78 2ka0 n GLU 18 N 2.06 1.05 0.00 0.43 1.02 -1.26 -3.12 120.64 120.81 2ka0 n GLU 18 Ca -0.17 -0.10 0.05 0.00 -0.02 0.00 0.00 57.16 56.93 2ka0 n GLU 18 Cb 0.53 -1.04 -0.03 0.00 -0.02 0.00 0.00 31.44 30.89 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 1.10 2.97 -3.95 3.49 0.28 -1.26 -5.00 120.64 118.28 2ka0 n GLU 19 Ca 0.02 -0.29 -0.36 0.00 -0.16 0.00 0.00 57.16 56.36 2ka0 n GLU 19 Cb 0.52 -1.02 -0.07 0.00 1.43 0.00 0.00 31.44 32.30 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 -1.66 3.49 0.09 -1.84 2.02 -1.18 -5.02 117.35 113.24 2ka0 s TYR 20 Ca 0.06 0.43 -0.26 0.00 -0.37 0.00 0.00 57.07 56.93 2ka0 s TYR 20 Cb 0.08 -1.95 -0.10 0.00 -0.40 0.00 0.00 41.96 39.59 2ka0 s TYR 20 CO 0.33 0.61 1.41 1.49 -1.57 0.00 0.00 175.55 177.83 2ka0 h GLU 21 N 5.31 -0.45 -0.95 -0.62 4.57 -1.93 -1.72 114.58 118.78 2ka0 h GLU 21 Ca -0.52 0.03 0.18 0.00 -1.18 0.00 0.00 59.36 57.88 2ka0 h GLU 21 Cb 1.21 0.10 -0.11 0.00 -0.16 0.00 0.00 28.75 29.80 2ka0 h GLU 21 CO 0.60 -0.30 0.54 0.28 -1.18 0.00 0.00 179.01 178.95 2ka0 h VAL 22 N -0.47 0.68 -0.24 0.32 2.07 -1.95 0.83 116.25 117.48 2ka0 h VAL 22 Ca 0.02 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 2ka0 h VAL 22 Cb 0.53 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2ka0 h VAL 22 CO -0.30 0.12 -0.26 0.58 0.02 0.00 0.00 177.57 177.74 2ka0 h VAL 23 N 0.68 1.27 0.02 2.57 2.07 -1.65 0.68 116.25 121.89 2ka0 h VAL 23 Ca 0.55 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 2ka0 h VAL 23 Cb 0.87 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 2ka0 h VAL 23 CO -0.40 0.40 -0.01 0.11 0.02 0.00 0.00 177.57 177.69 2ka0 h LYS 24 N 0.41 -0.03 -0.13 1.57 1.57 -0.57 -3.00 116.57 116.38 2ka0 h LYS 24 Ca 0.06 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 2ka0 h LYS 24 Cb 0.67 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2ka0 h LYS 24 CO 0.05 0.22 -0.33 -0.07 -0.57 0.00 0.00 179.45 178.75 2ka0 h LEU 25 N -0.28 0.27 -1.17 2.94 -0.00 -0.51 -1.20 115.31 115.35 2ka0 h LEU 25 Ca -0.00 -0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 57.77 2ka0 h LEU 25 Cb 0.27 -0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 40.82 2ka0 h LEU 25 CO 0.01 0.60 0.44 -0.07 -0.00 0.00 0.00 178.44 179.41 2ka0 h LEU 26 N 0.23 0.89 -2.30 1.67 -0.00 -0.99 -2.87 115.31 111.94 2ka0 h LEU 26 Ca 0.03 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 2ka0 h LEU 26 Cb 0.71 -0.23 -0.00 0.00 -0.00 0.00 0.00 40.66 41.14 2ka0 h LEU 26 CO 0.05 0.69 -0.04 0.50 -0.00 0.00 0.00 178.44 179.65 2ka0 h LYS 27 N 1.03 0.00 0.00 1.13 3.11 -1.06 0.63 116.57 121.41 2ka0 h LYS 27 Ca 0.27 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.11 2ka0 h LYS 27 Cb -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.20 2ka0 h LYS 27 CO -0.05 0.04 0.00 0.93 -2.81 0.00 0.00 179.45 177.56 2ka0 h GLU 28 N 0.00 0.00 -0.43 1.90 4.39 -1.56 -3.33 114.58 115.54 2ka0 h GLU 28 Ca -0.00 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.38 2ka0 h GLU 28 Cb 0.12 0.00 -0.33 0.00 -0.10 0.00 0.00 28.75 28.44 2ka0 h GLU 28 CO 0.01 0.00 -0.85 1.63 -1.16 0.00 0.00 179.01 178.63 2ka0 n LYS 29 N -2.63 2.32 -4.40 2.33 4.76 0.17 -5.03 118.16 115.68 2ka0 n LYS 29 Ca 0.04 -3.58 -0.21 0.00 -2.87 0.00 0.00 58.31 51.69 2ka0 n LYS 29 Cb 0.43 -1.72 -0.13 0.00 -1.84 0.00 0.00 35.03 31.77 2ka0 n LYS 29 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2ka0 s ILE 30 N -3.60 1.25 0.87 -0.18 1.01 -0.94 -4.12 121.20 115.50 2ka0 s ILE 30 Ca 0.40 -1.08 -0.10 0.00 0.00 0.00 0.00 60.65 59.87 2ka0 s ILE 30 Cb 0.38 -1.13 0.12 0.00 0.01 0.00 0.00 42.46 41.84 2ka0 s ILE 30 CO -0.03 0.03 1.13 -2.16 0.00 0.00 0.00 174.94 173.92 2ka0 s PRO 31 N -1.21 1.38 0.13 2.79 0.04 -1.26 -4.99 135.00 131.88 2ka0 s PRO 31 Ca 0.03 1.42 -0.11 0.00 0.04 0.00 0.00 61.00 62.38 2ka0 s PRO 31 Cb -0.08 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.69 2ka0 s PRO 31 CO 0.02 -2.34 0.29 -0.59 0.04 0.00 0.00 177.00 174.41 2ka0 s PHE 32 N -2.73 0.15 0.36 0.56 -0.71 -0.35 -5.01 117.98 110.25 2ka0 s PHE 32 Ca 0.65 -0.53 0.09 0.00 -1.04 0.00 0.00 56.93 56.10 2ka0 s PHE 32 Cb -0.21 0.04 -0.06 0.00 -1.21 0.00 0.00 43.02 41.58 2ka0 s PHE 32 CO 0.57 -0.67 -0.05 -1.21 -1.34 0.00 0.00 175.22 172.53 2ka0 s GLU 33 N -3.89 1.91 0.22 1.99 2.02 -1.26 -0.12 118.70 119.58 2ka0 s GLU 33 Ca 0.09 -1.92 -0.22 0.00 0.02 0.00 0.00 54.97 52.95 2ka0 s GLU 33 Cb 0.03 -1.76 0.06 0.00 0.10 0.00 0.00 34.13 32.57 2ka0 s GLU 33 CO -0.07 0.10 0.94 0.45 0.02 0.00 0.00 175.26 176.71 2ka0 s SER 34 N -3.66 -0.07 -0.11 -0.19 0.15 -0.48 -4.96 113.70 104.39 2ka0 s SER 34 Ca 0.34 -0.69 -0.17 0.00 0.70 0.00 0.00 55.95 56.13 2ka0 s SER 34 Cb 0.03 0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 64.88 2ka0 s SER 34 CO 0.18 -1.13 0.45 -0.69 1.20 0.00 0.00 173.24 173.24 2ka0 s VAL 35 N -2.65 5.18 -1.43 4.45 1.01 -1.26 -2.35 120.40 123.35 2ka0 s VAL 35 Ca 0.17 0.89 -0.15 0.00 0.00 0.00 0.00 61.98 62.90 2ka0 s VAL 35 Cb -0.03 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.61 2ka0 s VAL 35 CO 0.06 0.37 2.17 0.52 0.00 0.00 0.00 175.10 178.22 2ka0 n VAL 36 N 3.42 3.47 -1.51 2.92 0.31 -1.26 -4.34 118.33 121.34 2ka0 n VAL 36 Ca -0.08 -3.09 -0.34 0.00 -0.01 0.00 0.00 64.34 60.81 2ka0 n VAL 36 Cb 0.52 -2.58 0.08 0.00 -0.91 0.00 0.00 33.84 30.95 2ka0 n VAL 36 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2ka0 s ASN 37 N 3.34 4.42 0.04 4.52 0.01 -0.66 -3.38 114.94 123.24 2ka0 s ASN 37 Ca 0.48 2.27 0.01 0.00 -0.71 0.00 0.00 52.86 54.91 2ka0 s ASN 37 Cb 0.13 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 39.18 2ka0 s ASN 37 CO -0.07 -2.11 -0.06 0.42 -1.51 0.00 0.00 177.10 173.77 2ka0 s THR 38 N -2.07 0.41 -0.41 1.60 -4.23 -1.26 -1.15 115.64 108.53 2ka0 s THR 38 Ca 0.73 -1.14 0.06 0.00 -1.18 0.00 0.00 61.69 60.16 2ka0 s THR 38 Cb -0.27 -0.64 0.17 0.00 1.34 0.00 0.00 72.50 73.10 2ka0 s THR 38 CO 0.44 -0.49 0.55 0.86 -0.54 0.00 0.00 174.62 175.44 2ka0 s TRP 39 N -1.71 -1.17 -0.41 3.99 -0.00 -0.36 -4.99 118.94 114.28 2ka0 s TRP 39 Ca -0.09 -0.26 -0.27 0.00 -0.00 0.00 0.00 56.10 55.47 2ka0 s TRP 39 Cb -0.08 0.04 0.04 0.00 -0.00 0.00 0.00 33.47 33.47 2ka0 s TRP 39 CO -0.01 -1.11 0.58 0.41 -0.00 0.00 0.00 176.95 176.82 2ka0 n GLY 40 N 4.16 -0.55 2.38 5.86 0.00 -1.26 -2.56 105.19 113.22 2ka0 n GLY 40 Ca 0.12 1.12 -0.13 0.00 0.00 0.00 0.00 46.02 47.13 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 -0.11 -0.92 -4.12 1.61 1.02 -1.26 -3.85 120.64 113.00 2ka0 n GLU 41 Ca -0.00 0.95 -0.15 0.00 -0.02 0.00 0.00 57.16 57.94 2ka0 n GLU 41 Cb 0.57 -5.02 -0.12 0.00 -0.02 0.00 0.00 31.44 26.85 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 -3.19 0.56 -0.07 3.49 2.12 -1.06 -1.67 118.70 118.88 2ka0 s GLU 42 Ca 0.00 -0.62 0.01 0.00 0.36 0.00 0.00 54.97 54.72 2ka0 s GLU 42 Cb 0.00 -0.42 0.02 0.00 0.26 0.00 0.00 34.13 33.99 2ka0 s GLU 42 CO 0.00 0.09 -0.09 0.42 -0.54 0.00 0.00 175.26 175.14 2ka0 s ILE 43 N -0.99 0.96 -0.03 -3.70 1.01 -0.77 -1.23 121.20 116.44 2ka0 s ILE 43 Ca -0.05 -0.35 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 2ka0 s ILE 43 Cb -0.08 -0.92 0.01 0.00 0.01 0.00 0.00 42.46 41.48 2ka0 s ILE 43 CO 0.00 0.32 0.12 -0.72 0.00 0.00 0.00 174.94 174.67 2ka0 s TYR 44 N 0.95 -0.07 0.03 3.97 1.13 -0.30 -0.77 117.35 122.29 2ka0 s TYR 44 Ca -0.10 0.18 0.04 0.00 -1.41 0.00 0.00 57.07 55.78 2ka0 s TYR 44 Cb -0.15 0.01 -0.02 0.00 -1.10 0.00 0.00 41.96 40.70 2ka0 s TYR 44 CO 0.00 -0.13 -0.12 -0.59 -2.51 0.00 0.00 175.55 172.20 2ka0 s PHE 45 N -0.37 1.08 -1.30 -3.49 -0.71 -1.26 -1.65 117.98 110.29 2ka0 s PHE 45 Ca -0.04 -0.32 -0.18 0.00 -1.04 0.00 0.00 56.93 55.34 2ka0 s PHE 45 Cb -0.03 -0.65 0.05 0.00 -1.21 0.00 0.00 43.02 41.18 2ka0 s PHE 45 CO 0.00 0.01 1.78 0.43 -1.34 0.00 0.00 175.22 176.11 2ka0 n SER 46 N 2.08 4.72 -4.64 1.98 7.64 -1.26 -2.50 113.62 121.63 2ka0 n SER 46 Ca -0.17 -2.90 -0.36 0.00 1.01 0.00 0.00 58.87 56.45 2ka0 n SER 46 Cb 0.55 -1.74 0.09 0.00 -1.01 0.00 0.00 64.21 62.10 2ka0 n SER 46 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2ka0 n THR 47 N 6.45 3.20 0.73 0.44 -2.24 -0.96 -4.92 114.28 116.97 2ka0 n THR 47 Ca 0.49 -0.39 0.13 0.00 -2.27 0.00 0.00 64.05 62.01 2ka0 n THR 47 Cb 0.46 -1.19 0.48 0.00 -2.10 0.00 0.00 70.33 67.98 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 -1.97 0.14 -3.71 -0.78 -0.04 -1.26 -4.75 135.00 122.63 2ka0 n PRO 48 Ca 0.14 0.16 -0.37 0.00 -0.04 0.00 0.00 63.50 63.38 2ka0 n PRO 48 Cb 0.49 -1.68 -0.06 0.00 -0.04 0.00 0.00 33.50 32.21 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 -3.08 5.29 -0.42 0.52 1.01 -1.26 -5.07 120.40 117.38 2ka0 s VAL 49 Ca 0.11 0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.58 2ka0 s VAL 49 Cb 0.14 -3.55 0.14 0.00 0.00 0.00 0.00 36.38 33.11 2ka0 s VAL 49 CO 0.53 0.58 0.24 0.20 0.00 0.00 0.00 175.10 176.65 2ka0 s ASN 50 N -1.11 3.46 0.29 3.32 0.01 -1.26 -4.84 114.94 114.81 2ka0 s ASN 50 Ca 0.20 -2.54 0.10 0.00 -0.71 0.00 0.00 52.86 49.91 2ka0 s ASN 50 Cb -0.14 -0.88 -0.05 0.00 0.41 0.00 0.00 41.25 40.59 2ka0 s ASN 50 CO 0.09 -0.27 -0.07 0.68 -1.51 0.00 0.00 177.10 176.02 2ka0 s VAL 51 N 0.50 2.87 0.00 1.60 -7.23 -1.26 -5.06 120.40 111.82 2ka0 s VAL 51 Ca 0.18 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 2ka0 s VAL 51 Cb -0.23 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.06 2ka0 s VAL 51 CO -0.00 -0.33 0.68 0.00 -0.31 0.00 0.00 175.10 175.14 2ka0 n GLN 52 N -0.82 0.98 -2.41 4.82 6.02 -1.26 -4.65 117.38 120.07 2ka0 n GLN 52 Ca -0.05 -0.91 -0.42 0.00 -0.01 0.00 0.00 57.00 55.61 2ka0 n GLN 52 Cb 0.60 -0.91 -0.03 0.00 1.02 0.00 0.00 30.24 30.93 2ka0 n GLN 52 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2ka0 s LYS 53 N -0.45 4.37 -0.32 -1.09 2.20 -1.26 -5.03 119.74 118.17 2ka0 s LYS 53 Ca 0.00 1.76 0.03 0.00 -0.36 0.00 0.00 55.97 57.40 2ka0 s LYS 53 Cb 0.00 -3.47 0.09 0.00 -1.51 0.00 0.00 37.83 32.94 2ka0 s LYS 53 CO 0.00 -0.39 0.03 0.00 -0.36 0.00 0.00 175.35 174.63 2ka0 s MET 54 N 1.77 1.52 0.36 4.03 0.23 -1.26 -4.82 119.30 121.13 2ka0 s MET 54 Ca 0.58 -1.69 0.10 0.00 -1.03 0.00 0.00 55.69 53.65 2ka0 s MET 54 Cb -0.28 -3.03 0.68 0.00 -1.53 0.00 0.00 34.83 30.68 2ka0 s MET 54 CO 0.26 -0.88 1.83 0.93 -2.03 0.00 0.00 175.02 175.13 2ka0 h GLU 55 N 7.69 0.17 -2.15 3.16 4.39 -1.98 -3.38 114.58 122.49 2ka0 h GLU 55 Ca -0.08 -0.06 -0.51 0.00 0.34 0.00 0.00 59.36 59.06 2ka0 h GLU 55 Cb 1.02 -0.01 -0.34 0.00 -0.10 0.00 0.00 28.75 29.32 2ka0 h GLU 55 CO 0.50 0.44 -0.88 1.21 -1.16 0.00 0.00 179.01 179.11 2ka0 s ASN 56 N -6.90 1.04 0.34 1.42 2.47 -1.26 -5.10 114.94 106.95 2ka0 s ASN 56 Ca -0.04 -2.75 -0.27 0.00 0.42 0.00 0.00 52.86 50.22 2ka0 s ASN 56 Cb 0.15 -0.03 -0.09 0.00 -1.45 0.00 0.00 41.25 39.82 2ka0 s ASN 56 CO 0.74 -0.16 1.05 -2.16 -3.72 0.00 0.00 177.10 172.85 2ka0 s PRO 57 N 0.30 4.42 0.23 0.43 0.04 -1.26 -1.36 135.00 137.80 2ka0 s PRO 57 Ca 0.31 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2ka0 s PRO 57 Cb 0.01 -2.85 -0.05 0.00 0.04 0.00 0.00 34.50 31.65 2ka0 s PRO 57 CO -0.16 0.07 0.10 1.03 0.04 0.00 0.00 177.00 178.09 2ka0 s ARG 58 N -1.98 1.30 0.00 4.56 1.81 -0.22 -4.92 118.95 119.50 2ka0 s ARG 58 Ca 0.51 -1.69 0.00 0.00 -1.72 0.00 0.00 55.73 52.83 2ka0 s ARG 58 Cb -0.26 -0.05 0.00 0.00 -0.45 0.00 0.00 34.95 34.19 2ka0 s ARG 58 CO 0.32 -0.32 0.67 0.39 -0.68 0.00 0.00 175.30 175.68 2ka0 n GLU 59 N -0.37 0.67 -4.15 3.54 1.02 -1.26 -3.31 120.64 116.78 2ka0 n GLU 59 Ca 0.00 -0.86 -0.15 0.00 -0.02 0.00 0.00 57.16 56.12 2ka0 n GLU 59 Cb 0.66 -0.95 -0.13 0.00 -0.02 0.00 0.00 31.44 30.99 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 -0.39 0.50 0.32 2.62 1.01 -1.26 -4.33 120.40 118.86 2ka0 s VAL 60 Ca 0.00 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.49 2ka0 s VAL 60 Cb 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 2ka0 s VAL 60 CO 0.00 -0.03 0.12 0.68 0.00 0.00 0.00 175.10 175.87 2ka0 s VAL 61 N -0.53 0.61 0.59 2.92 -7.23 -1.23 -4.99 120.40 110.55 2ka0 s VAL 61 Ca -0.01 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.09 2ka0 s VAL 61 Cb -0.05 -2.57 0.13 0.00 0.56 0.00 0.00 36.38 34.45 2ka0 s VAL 61 CO 0.00 0.00 0.81 -0.62 -0.31 0.00 0.00 175.10 174.98 2ka0 n GLU 62 N -0.64 -0.46 0.00 4.82 1.02 -1.26 -4.53 120.64 119.60 2ka0 n GLU 62 Ca -0.01 -1.59 0.14 0.00 -0.02 0.00 0.00 57.16 55.67 2ka0 n GLU 62 Cb 0.66 -0.73 0.68 0.00 -0.02 0.00 0.00 31.44 32.03 2ka0 n GLU 62 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2ka0 n ILE 63 N -2.88 0.04 -2.56 -3.67 5.41 -1.26 -4.13 119.36 110.31 2ka0 n ILE 63 Ca 0.11 0.01 -0.00 0.00 1.00 0.00 0.00 62.75 63.87 2ka0 n ILE 63 Cb 0.40 -0.52 0.05 0.00 -0.71 0.00 0.00 39.64 38.85 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 1.31 2.16 3.80 7.39 0.00 -1.26 -4.00 105.19 114.59 2ka0 n GLY 64 Ca 0.11 -1.15 -0.26 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.12 4.50 -0.02 1.61 1.01 -1.26 -1.41 116.67 117.99 2ka0 s ASP 65 Ca 0.32 -1.18 -0.01 0.00 0.71 0.00 0.00 52.55 52.39 2ka0 s ASP 65 Cb 0.36 -0.08 0.02 0.00 1.01 0.00 0.00 42.92 44.23 2ka0 s ASP 65 CO -0.08 -0.77 0.05 -0.69 0.21 0.00 0.00 175.17 173.89 2ka0 s VAL 66 N -2.68 -0.03 0.45 -1.27 1.01 -0.73 -4.23 120.40 112.92 2ka0 s VAL 66 Ca 0.35 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.46 2ka0 s VAL 66 Cb 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.28 2ka0 s VAL 66 CO 0.20 0.04 0.05 -0.83 0.00 0.00 0.00 175.10 174.56 2ka0 s GLY 67 N 0.55 2.75 0.24 4.51 0.00 -1.24 -1.72 107.32 112.41 2ka0 s GLY 67 Ca -0.04 -1.01 0.05 0.00 0.00 0.00 0.00 44.72 43.72 2ka0 s GLY 67 CO -0.02 -2.03 0.31 -2.52 0.00 0.00 0.00 173.10 168.85 2ka0 s TYR 68 N -3.01 3.36 -0.49 1.90 1.13 -1.26 -3.07 117.35 115.91 2ka0 s TYR 68 Ca 0.18 -0.03 0.03 0.00 -1.41 0.00 0.00 57.07 55.84 2ka0 s TYR 68 Cb 0.03 -1.53 0.16 0.00 -1.10 0.00 0.00 41.96 39.52 2ka0 s TYR 68 CO 0.10 0.47 0.35 -0.46 -2.51 0.00 0.00 175.55 173.49 2ka0 s TRP 69 N -2.00 1.86 0.44 -3.49 -0.00 0.36 -4.22 118.94 111.89 2ka0 s TRP 69 Ca 0.34 -2.54 0.29 0.00 -0.00 0.00 0.00 56.10 54.19 2ka0 s TRP 69 Cb -0.09 -1.57 1.55 0.00 -0.00 0.00 0.00 33.47 33.37 2ka0 s TRP 69 CO 0.28 -0.75 2.11 -1.00 -0.00 0.00 0.00 176.95 177.59 2ka0 h PRO 70 N 5.93 0.00 -0.10 5.86 0.13 -1.82 -0.63 132.00 141.37 2ka0 h PRO 70 Ca 0.16 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.18 2ka0 h PRO 70 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2ka0 h PRO 70 CO 0.47 0.09 -0.35 -1.00 -0.23 0.00 0.00 178.00 176.98 2ka0 h PRO 71 N 0.00 0.41 -0.01 1.56 0.13 -1.95 -3.32 132.00 128.82 2ka0 h PRO 71 Ca -0.00 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2ka0 h PRO 71 Cb 0.28 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.47 2ka0 h PRO 71 CO 0.01 0.94 -0.37 0.41 -0.23 0.00 0.00 178.00 178.76 2ka0 n GLY 72 N 0.62 -0.07 3.16 1.56 0.00 -1.20 -5.00 105.19 104.27 2ka0 n GLY 72 Ca -0.08 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.09 -1.69 -4.08 1.61 4.01 -0.34 -4.90 118.16 112.68 2ka0 n LYS 73 Ca 0.11 1.54 -0.11 0.00 -0.51 0.00 0.00 58.31 59.33 2ka0 n LYS 73 Cb 0.44 -4.88 -0.07 0.00 -0.51 0.00 0.00 35.03 30.01 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 -2.77 0.41 0.95 7.82 0.00 -0.64 -2.27 121.76 125.26 2ka0 s ALA 74 Ca 0.10 -1.27 -0.12 0.00 0.00 0.00 0.00 51.96 50.67 2ka0 s ALA 74 Cb -0.02 1.20 0.18 0.00 0.00 0.00 0.00 23.12 24.48 2ka0 s ALA 74 CO 0.79 -0.76 1.10 -0.11 0.00 0.00 0.00 175.76 176.78 2ka0 n LEU 75 N -0.38 0.00 -4.00 0.00 7.94 -1.04 -0.48 117.00 119.04 2ka0 n LEU 75 Ca 0.00 -1.35 -0.08 0.00 -1.11 0.00 0.00 56.01 53.47 2ka0 n LEU 75 Cb 0.63 -0.82 -0.09 0.00 0.53 0.00 0.00 43.42 43.67 2ka0 n LEU 75 CO 0.27 -1.25 -0.24 0.00 -1.11 0.00 0.00 177.39 175.06 2ka0 s LEU 77 N -2.91 0.03 0.30 0.00 1.43 0.05 -4.09 118.68 113.49 2ka0 s LEU 77 Ca 0.08 -1.12 -0.20 0.00 -1.03 0.00 0.00 54.13 51.85 2ka0 s LEU 77 Cb 0.07 0.30 -0.09 0.00 0.03 0.00 0.00 46.19 46.49 2ka0 s LEU 77 CO -0.09 -0.37 0.81 -0.36 0.23 0.00 0.00 176.35 176.57 2ka0 s PHE 78 N 2.03 3.53 0.00 0.29 0.08 -1.26 -1.85 117.98 120.81 2ka0 s PHE 78 Ca 0.11 1.47 0.02 0.00 0.12 0.00 0.00 56.93 58.66 2ka0 s PHE 78 Cb -0.15 -2.70 0.04 0.00 -0.57 0.00 0.00 43.02 39.64 2ka0 s PHE 78 CO -0.25 0.17 0.87 1.97 -0.10 0.00 0.00 175.22 177.89 2ka0 n PHE 79 N 0.19 0.00 0.00 0.36 -1.74 -0.67 -4.45 117.46 111.15 2ka0 n PHE 79 Ca 0.02 -0.33 0.00 0.00 -0.56 0.00 0.00 57.45 56.57 2ka0 n PHE 79 Cb 0.52 0.34 0.00 0.00 1.52 0.00 0.00 39.48 41.86 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 0.05 -0.00 0.00 4.97 0.00 -1.26 -5.02 105.19 103.93 2ka0 n GLY 80 Ca -0.15 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 3.56 -1.39 1.61 4.81 -1.26 -4.84 118.16 120.65 2ka0 n LYS 81 Ca 0.00 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.61 2ka0 n LYS 81 Cb 0.00 -0.47 -0.07 0.00 0.02 0.00 0.00 35.03 34.51 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 -0.70 -0.36 0.35 3.15 -2.24 -1.26 -4.56 114.28 108.66 2ka0 n THR 82 Ca 0.00 0.63 0.12 0.00 -2.27 0.00 0.00 64.05 62.53 2ka0 n THR 82 Cb 0.00 -1.08 0.24 0.00 -2.10 0.00 0.00 70.33 67.39 2ka0 n THR 82 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2ka0 h PRO 83 N -1.40 0.00 -1.94 -0.78 0.13 -1.86 -3.38 132.00 122.77 2ka0 h PRO 83 Ca -0.12 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 64.25 2ka0 h PRO 83 Cb 1.32 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.18 2ka0 h PRO 83 CO 0.06 0.00 0.99 -0.12 -0.23 0.00 0.00 178.00 178.70 2ka0 n MET 84 N -2.82 2.77 -3.85 0.86 1.56 -1.26 -4.91 117.12 109.48 2ka0 n MET 84 Ca 0.04 -3.55 -0.06 0.00 -0.27 0.00 0.00 57.70 53.86 2ka0 n MET 84 Cb 0.50 -2.27 0.02 0.00 2.15 0.00 0.00 33.22 33.62 2ka0 n MET 84 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2ka0 s SER 85 N -1.21 0.02 0.00 6.12 0.01 -1.26 -4.41 113.70 112.97 2ka0 s SER 85 Ca 0.52 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.84 2ka0 s SER 85 Cb 0.44 0.69 0.00 0.00 0.21 0.00 0.00 66.02 67.36 2ka0 s SER 85 CO -0.39 -1.37 0.00 -0.67 0.41 0.00 0.00 173.24 171.22 2ka0 n ASP 86 N -1.38 0.00 -0.10 2.44 2.03 -1.26 -5.01 116.55 113.27 2ka0 n ASP 86 Ca -0.06 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.09 2ka0 n ASP 86 Cb 0.60 0.02 -0.05 0.00 -0.72 0.00 0.00 41.12 40.96 2ka0 n ASP 86 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2ka0 n ASP 87 N -1.80 1.90 -4.23 1.67 8.00 -1.26 -5.07 116.55 115.76 2ka0 n ASP 87 Ca 0.00 0.32 -0.28 0.00 0.71 0.00 0.00 54.79 55.55 2ka0 n ASP 87 Cb 0.00 -0.75 -0.08 0.00 -0.02 0.00 0.00 41.12 40.27 2ka0 n ASP 87 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2ka0 s LYS 88 N -2.73 2.01 0.13 -1.24 -2.85 -1.26 -5.12 119.74 108.68 2ka0 s LYS 88 Ca -0.31 -2.25 -0.30 0.00 -1.00 0.00 0.00 55.97 52.11 2ka0 s LYS 88 Cb 0.08 -0.79 -0.06 0.00 -2.06 0.00 0.00 37.83 34.99 2ka0 s LYS 88 CO 0.43 -0.47 1.04 0.42 0.10 0.00 0.00 175.35 176.87 2ka0 s ILE 89 N -3.12 4.20 0.13 3.79 1.09 -1.26 -4.76 121.20 121.26 2ka0 s ILE 89 Ca 0.19 1.82 0.09 0.00 -1.10 0.00 0.00 60.65 61.65 2ka0 s ILE 89 Cb 0.02 -4.16 -0.04 0.00 -1.06 0.00 0.00 42.46 37.22 2ka0 s ILE 89 CO 0.12 0.27 -0.22 -1.10 -0.10 0.00 0.00 174.94 173.92 2ka0 s GLN 90 N -0.00 1.23 1.08 2.79 -0.21 -1.26 -3.50 119.66 119.79 2ka0 s GLN 90 Ca 0.49 -1.27 -0.18 0.00 0.02 0.00 0.00 55.36 54.43 2ka0 s GLN 90 Cb -0.26 -1.50 0.24 0.00 1.00 0.00 0.00 33.01 32.49 2ka0 s GLN 90 CO 0.32 0.34 1.22 -1.25 -2.12 0.00 0.00 175.29 173.79 2ka0 s PRO 91 N -2.16 -0.30 0.33 2.91 0.04 -1.26 -4.82 135.00 129.73 2ka0 s PRO 91 Ca 0.11 -0.24 0.26 0.00 0.04 0.00 0.00 61.00 61.17 2ka0 s PRO 91 Cb -0.09 -1.72 0.95 0.00 0.04 0.00 0.00 34.50 33.68 2ka0 s PRO 91 CO 0.05 -3.07 1.77 0.00 0.04 0.00 0.00 177.00 175.80 2ka0 h ALA 92 N -2.11 1.00 -2.77 8.56 0.00 -1.97 -3.48 119.26 118.48 2ka0 h ALA 92 Ca -0.45 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.54 2ka0 h ALA 92 Cb 1.26 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2ka0 h ALA 92 CO 0.36 0.00 0.38 0.45 0.00 0.00 0.00 179.25 180.44 2ka0 s SER 93 N -4.84 -0.07 -1.02 0.00 0.15 -1.26 -5.05 113.70 101.61 2ka0 s SER 93 Ca 0.06 -0.82 -0.12 0.00 0.70 0.00 0.00 55.95 55.76 2ka0 s SER 93 Cb 0.10 0.68 -0.08 0.00 -1.71 0.00 0.00 66.02 65.01 2ka0 s SER 93 CO 0.51 -1.33 2.17 0.00 1.20 0.00 0.00 173.24 175.79 2ka0 n ALA 94 N -0.56 4.73 -1.02 5.45 0.00 -1.26 -4.82 120.51 123.04 2ka0 n ALA 94 Ca -0.06 -2.82 -0.30 0.00 0.00 0.00 0.00 53.44 50.27 2ka0 n ALA 94 Cb 0.60 -3.31 0.16 0.00 0.00 0.00 0.00 19.45 16.90 2ka0 n ALA 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ka0 s VAL 95 N 3.72 2.43 0.64 0.00 -7.23 -1.21 -4.68 120.40 114.07 2ka0 s VAL 95 Ca 0.50 0.14 0.02 0.00 -1.81 0.00 0.00 61.98 60.82 2ka0 s VAL 95 Cb 0.13 -2.49 0.12 0.00 0.56 0.00 0.00 36.38 34.71 2ka0 s VAL 95 CO 0.00 -0.18 0.88 -0.46 -0.31 0.00 0.00 175.10 175.03 2ka0 n ASN 96 N -4.14 1.40 -2.39 4.85 0.23 -1.26 -1.06 115.26 112.89 2ka0 n ASN 96 Ca 0.07 -2.13 -0.20 0.00 -0.53 0.00 0.00 54.58 51.79 2ka0 n ASN 96 Cb 0.55 -0.55 0.02 0.00 -2.08 0.00 0.00 39.78 37.72 2ka0 n ASN 96 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 2ka0 n VAL 97 N -2.61 2.09 0.39 3.53 0.31 -0.46 -3.73 118.33 117.84 2ka0 n VAL 97 Ca 0.15 -4.16 0.12 0.00 -0.01 0.00 0.00 64.34 60.45 2ka0 n VAL 97 Cb 0.54 -0.61 0.51 0.00 -0.91 0.00 0.00 33.84 33.37 2ka0 n VAL 97 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 2ka0 h ILE 98 N 2.89 0.00 -1.91 2.52 3.07 -1.81 -3.45 117.51 118.83 2ka0 h ILE 98 Ca 0.21 -0.26 -0.60 0.00 1.55 0.00 0.00 64.86 65.77 2ka0 h ILE 98 Cb 1.22 1.01 -0.13 0.00 -0.27 0.00 0.00 36.82 38.65 2ka0 h ILE 98 CO 0.68 0.00 -0.60 -0.83 -1.05 0.00 0.00 178.15 176.35 2ka0 s GLY 99 N -3.60 2.41 0.30 0.16 0.00 -0.70 -3.66 107.32 102.23 2ka0 s GLY 99 Ca 0.04 -2.25 0.03 0.00 0.00 0.00 0.00 44.72 42.53 2ka0 s GLY 99 CO 0.41 -2.04 0.09 1.25 0.00 0.00 0.00 173.10 172.81 2ka0 s LYS 100 N -3.74 1.57 -0.89 2.90 2.20 -0.85 -1.78 119.74 119.15 2ka0 s LYS 100 Ca 0.35 -1.88 -0.11 0.00 -0.36 0.00 0.00 55.97 53.98 2ka0 s LYS 100 Cb 0.10 -0.50 0.23 0.00 -1.51 0.00 0.00 37.83 36.15 2ka0 s LYS 100 CO 0.17 -0.29 0.83 0.42 -0.36 0.00 0.00 175.35 176.13 2ka0 s ILE 101 N -3.52 5.46 0.29 5.43 1.01 -0.50 -3.24 121.20 126.13 2ka0 s ILE 101 Ca 0.36 -2.88 0.11 0.00 0.00 0.00 0.00 60.65 58.23 2ka0 s ILE 101 Cb 0.07 -4.35 -0.00 0.00 0.01 0.00 0.00 42.46 38.18 2ka0 s ILE 101 CO 0.15 -1.06 1.65 1.62 0.00 0.00 0.00 174.94 177.30 2ka0 h VAL 102 N 4.47 1.41 -2.84 2.92 3.04 -1.76 -3.45 116.25 120.03 2ka0 h VAL 102 Ca 0.12 -1.95 -0.09 0.00 -1.01 0.00 0.00 66.70 63.77 2ka0 h VAL 102 Cb 0.97 2.05 -0.19 0.00 -2.01 0.00 0.00 31.29 32.11 2ka0 h VAL 102 CO 0.83 0.56 -0.13 -1.61 -1.01 0.00 0.00 177.57 176.21 2ka0 s GLU 103 N -3.73 0.83 -0.59 4.17 2.02 -0.58 -4.99 118.70 115.84 2ka0 s GLU 103 Ca -0.02 -0.18 -0.03 0.00 0.02 0.00 0.00 54.97 54.77 2ka0 s GLU 103 Cb 0.13 0.38 -0.03 0.00 0.10 0.00 0.00 34.13 34.70 2ka0 s GLU 103 CO 0.76 -0.26 0.51 0.41 0.02 0.00 0.00 175.26 176.70 2ka0 n GLY 104 N 0.92 -0.19 0.08 -1.39 0.00 -1.26 -0.85 105.19 102.49 2ka0 n GLY 104 Ca -0.20 0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.66 0.00 -0.59 0.99 5.85 -1.91 -3.40 115.31 115.59 2ka0 h LEU 105 Ca -0.33 -0.60 -0.08 0.00 0.84 0.00 0.00 57.88 57.71 2ka0 h LEU 105 Cb 1.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2ka0 h LEU 105 CO 0.25 1.08 -0.36 -0.33 -0.34 0.00 0.00 178.44 178.74 2ka0 h GLU 106 N -1.00 0.00 0.00 1.25 5.08 -1.98 -3.03 114.58 114.90 2ka0 h GLU 106 Ca -0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2ka0 h GLU 106 Cb 0.93 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 2ka0 h GLU 106 CO -0.07 0.36 -0.11 0.38 -1.00 0.00 0.00 179.01 178.57 2ka0 h ASP 107 N 0.00 0.00 -0.07 1.42 2.03 -1.91 -2.85 116.42 115.05 2ka0 h ASP 107 Ca -0.00 0.00 0.02 0.00 -0.73 0.00 0.00 57.03 56.32 2ka0 h ASP 107 Cb 1.04 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.54 2ka0 h ASP 107 CO 0.05 0.11 0.16 -0.07 -1.03 0.00 0.00 179.24 178.45 2ka0 h LEU 108 N 0.00 0.00 -1.07 0.15 3.38 -1.73 0.88 115.31 116.91 2ka0 h LEU 108 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2ka0 h LEU 108 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2ka0 h LEU 108 CO 0.01 0.00 -0.07 0.11 0.09 0.00 0.00 178.44 178.59 2ka0 h LYS 109 N 0.00 0.00 -0.09 1.13 1.57 -1.74 -3.19 116.57 114.25 2ka0 h LYS 109 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2ka0 h LYS 109 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2ka0 h LYS 109 CO -0.00 0.07 0.00 0.36 -0.57 0.00 0.00 179.45 179.31 2ka0 n LYS 110 N -3.17 1.17 -4.06 3.15 2.85 0.30 -4.90 118.16 113.50 2ka0 n LYS 110 Ca 0.01 -0.26 -0.22 0.00 -1.05 0.00 0.00 58.31 56.80 2ka0 n LYS 110 Cb 0.39 -1.06 -0.04 0.00 -0.65 0.00 0.00 35.03 33.67 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 -1.89 4.60 0.35 0.58 -1.09 -1.21 -4.76 121.20 117.78 2ka0 s ILE 111 Ca 0.05 -1.29 0.04 0.00 -2.23 0.00 0.00 60.65 57.21 2ka0 s ILE 111 Cb 0.02 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.36 2ka0 s ILE 111 CO 0.03 -0.33 0.13 -0.54 -1.23 0.00 0.00 174.94 172.99 2ka0 s LYS 112 N -3.89 1.75 0.00 2.79 -0.14 -1.26 -5.06 119.74 113.93 2ka0 s LYS 112 Ca 0.34 -2.02 0.10 0.00 -1.36 0.00 0.00 55.97 53.03 2ka0 s LYS 112 Cb -0.08 -0.47 0.62 0.00 -1.68 0.00 0.00 37.83 36.22 2ka0 s LYS 112 CO 0.26 -0.41 1.05 -3.47 -0.76 0.00 0.00 175.35 172.02 2ka0 n ASP 113 N -1.04 0.00 -2.67 2.83 2.03 -1.25 -3.38 116.55 113.06 2ka0 n ASP 113 Ca -0.03 -0.58 -0.06 0.00 0.52 0.00 0.00 54.79 54.65 2ka0 n ASP 113 Cb 0.65 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 41.15 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 -0.08 1.10 2.10 0.27 0.00 -1.22 -3.87 105.19 103.50 2ka0 n GLY 114 Ca 0.08 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.68 2.22 -3.19 1.61 -0.58 -1.22 -4.86 120.64 113.94 2ka0 n GLU 115 Ca -0.08 -3.05 -0.12 0.00 -0.42 0.00 0.00 57.16 53.50 2ka0 n GLU 115 Cb 0.82 -2.14 0.01 0.00 -0.57 0.00 0.00 31.44 29.56 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 -1.14 -1.33 -2.65 3.49 5.02 -1.26 -0.94 118.16 119.35 2ka0 n LYS 116 Ca 0.57 1.33 -0.41 0.00 -2.02 0.00 0.00 58.31 57.77 2ka0 n LYS 116 Cb 1.56 -2.22 -0.04 0.00 -0.02 0.00 0.00 35.03 34.31 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 -1.33 4.41 -0.35 -0.18 0.11 -0.99 -3.97 120.40 118.10 2ka0 s VAL 117 Ca 0.13 1.92 -0.09 0.00 -2.93 0.00 0.00 61.98 61.01 2ka0 s VAL 117 Cb -0.02 -4.23 0.03 0.00 -1.53 0.00 0.00 36.38 30.63 2ka0 s VAL 117 CO 0.41 0.25 0.15 0.00 -3.33 0.00 0.00 175.10 172.58 2ka0 s ALA 118 N 0.29 3.17 -0.05 1.54 0.00 0.73 -1.39 121.76 126.05 2ka0 s ALA 118 Ca 0.50 -1.67 -0.30 0.00 0.00 0.00 0.00 51.96 50.49 2ka0 s ALA 118 Cb -0.25 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.45 2ka0 s ALA 118 CO 0.30 -1.27 1.03 0.08 0.00 0.00 0.00 175.76 175.91 2ka0 s VAL 119 N 1.50 4.71 0.00 0.00 1.01 0.83 -1.13 120.40 127.32 2ka0 s VAL 119 Ca 0.01 1.96 0.00 0.00 0.00 0.00 0.00 61.98 63.95 2ka0 s VAL 119 Cb -0.19 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.93 2ka0 s VAL 119 CO 0.05 0.06 0.00 0.54 0.00 0.00 0.00 175.10 175.75 2ka0 n ARG 120 N 4.58 1.55 0.00 2.72 1.74 -0.92 -1.21 116.66 125.12 2ka0 n ARG 120 Ca 0.08 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.28 2ka0 n ARG 120 Cb 0.49 0.00 0.14 0.00 -1.02 0.00 0.00 32.46 32.07 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 0.00 0.00 -0.56 -1.55 3.72 -1.26 -3.86 117.46 113.95 2ka0 n PHE 121 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2ka0 n PHE 121 Cb 0.00 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 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 -0.40 -2.77 -2.87 4.37 0.00 -1.26 -3.71 120.51 113.86 2ka0 n ALA 122 Ca 0.10 0.11 -0.19 0.00 0.00 0.00 0.00 53.44 53.46 2ka0 n ALA 122 Cb 0.41 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 19.12 2ka0 n ALA 122 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ka0 n SER 123 N -0.06 2.54 -0.20 0.00 7.64 -1.26 -4.94 113.62 117.34 2ka0 n SER 123 Ca 0.00 -3.22 0.15 0.00 1.01 0.00 0.00 58.87 56.81 2ka0 n SER 123 Cb 0.00 -0.55 0.77 0.00 -1.01 0.00 0.00 64.21 63.42 2ka0 n SER 123 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83