#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 2.61 -0.16 3.17 1.81 -1.26 -2.14 118.95 122.98 2ka0 s ARG 2 Ca 0.00 1.68 -0.09 0.00 -1.72 0.00 0.00 55.73 55.60 2ka0 s ARG 2 Cb 0.00 -1.90 0.06 0.00 -0.45 0.00 0.00 34.95 32.66 2ka0 s ARG 2 CO 0.00 -1.45 0.39 0.08 -0.68 0.00 0.00 175.30 173.64 2ka0 s VAL 3 N -1.95 -0.02 -0.20 3.52 1.01 -0.43 -4.45 120.40 117.88 2ka0 s VAL 3 Ca 0.73 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.79 2ka0 s VAL 3 Cb -0.27 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.53 2ka0 s VAL 3 CO 0.40 0.04 -0.12 -0.70 0.00 0.00 0.00 175.10 174.72 2ka0 s GLU 4 N 1.27 3.21 -0.43 2.72 2.12 0.39 -0.43 118.70 127.55 2ka0 s GLU 4 Ca -0.09 -0.72 -0.16 0.00 0.36 0.00 0.00 54.97 54.36 2ka0 s GLU 4 Cb -0.08 -2.80 0.03 0.00 0.26 0.00 0.00 34.13 31.54 2ka0 s GLU 4 CO -0.11 -0.18 0.39 -0.51 -0.54 0.00 0.00 175.26 174.30 2ka0 s LEU 5 N 1.34 5.04 -0.16 2.70 1.02 -0.88 -0.17 118.68 127.57 2ka0 s LEU 5 Ca 0.04 -0.84 -0.19 0.00 0.02 0.00 0.00 54.13 53.17 2ka0 s LEU 5 Cb -0.14 -2.28 -0.04 0.00 0.02 0.00 0.00 46.19 43.76 2ka0 s LEU 5 CO -0.07 -0.55 0.52 -0.76 0.02 0.00 0.00 176.35 175.51 2ka0 s LEU 6 N 1.93 4.21 0.46 1.79 1.43 -0.54 -1.16 118.68 126.80 2ka0 s LEU 6 Ca 0.09 0.77 0.07 0.00 -1.03 0.00 0.00 54.13 54.03 2ka0 s LEU 6 Cb -0.19 -2.73 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 2ka0 s LEU 6 CO 0.11 -0.11 0.32 -0.36 0.23 0.00 0.00 176.35 176.55 2ka0 s PHE 7 N 1.18 2.30 -0.21 0.29 0.40 0.26 -0.23 117.98 121.96 2ka0 s PHE 7 Ca 0.26 -0.65 0.29 0.00 -0.60 0.00 0.00 56.93 56.23 2ka0 s PHE 7 Cb -0.15 -2.02 1.11 0.00 0.51 0.00 0.00 43.02 42.47 2ka0 s PHE 7 CO 0.10 -0.15 1.84 0.93 0.70 0.00 0.00 175.22 178.65 2ka0 h GLU 8 N 1.05 0.00 -0.08 0.44 5.08 -1.26 -3.26 114.58 116.54 2ka0 h GLU 8 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2ka0 h GLU 8 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2ka0 h GLU 8 CO 0.61 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 179.05 2ka0 n SER 9 N -2.72 1.91 0.00 1.42 7.64 -1.26 -5.09 113.62 115.52 2ka0 n SER 9 Ca 0.02 -1.58 0.00 0.00 1.01 0.00 0.00 58.87 58.32 2ka0 n SER 9 Cb 0.30 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 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 0.16 -0.92 3.39 0.23 0.00 -1.23 -4.78 105.19 102.04 2ka0 n GLY 10 Ca 0.04 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.23 1.18 0.32 1.61 -2.85 -1.26 -0.58 119.74 116.93 2ka0 s LYS 11 Ca 0.00 -0.45 -0.00 0.00 -1.00 0.00 0.00 55.97 54.51 2ka0 s LYS 11 Cb 0.00 0.54 -0.01 0.00 -2.06 0.00 0.00 37.83 36.30 2ka0 s LYS 11 CO 0.00 -0.48 0.39 0.00 0.10 0.00 0.00 175.35 175.36 2ka0 s VAL 13 N -3.32 0.47 0.33 0.00 1.01 -0.64 -2.07 120.40 116.18 2ka0 s VAL 13 Ca 0.34 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.25 2ka0 s VAL 13 Cb 0.01 -0.47 -0.07 0.00 0.00 0.00 0.00 36.38 35.85 2ka0 s VAL 13 CO 0.21 0.18 -0.05 0.27 0.00 0.00 0.00 175.10 175.71 2ka0 s ILE 14 N 0.55 1.90 -0.07 2.22 -4.36 0.43 -1.58 121.20 120.29 2ka0 s ILE 14 Ca -0.07 -2.12 -0.05 0.00 -0.26 0.00 0.00 60.65 58.15 2ka0 s ILE 14 Cb -0.10 -2.66 0.03 0.00 1.25 0.00 0.00 42.46 40.97 2ka0 s ILE 14 CO -0.00 -0.18 0.18 -0.62 0.24 0.00 0.00 174.94 174.56 2ka0 s ASP 15 N -3.56 -0.17 -0.19 4.36 -1.08 -0.43 -1.31 116.67 114.28 2ka0 s ASP 15 Ca 0.32 0.36 0.01 0.00 -0.52 0.00 0.00 52.55 52.72 2ka0 s ASP 15 Cb 0.05 0.32 0.04 0.00 -1.46 0.00 0.00 42.92 41.87 2ka0 s ASP 15 CO 0.15 -0.10 -0.09 -0.76 0.52 0.00 0.00 175.17 174.89 2ka0 s LEU 16 N 0.54 2.12 0.23 -1.34 2.01 -0.91 -0.78 118.68 120.55 2ka0 s LEU 16 Ca -0.04 -0.83 -0.31 0.00 0.01 0.00 0.00 54.13 52.96 2ka0 s LEU 16 Cb -0.05 -1.16 -0.11 0.00 0.01 0.00 0.00 46.19 44.87 2ka0 s LEU 16 CO -0.03 -0.15 1.61 0.21 1.01 0.00 0.00 176.35 179.00 2ka0 s ASN 17 N 1.45 6.46 0.00 2.29 2.47 -1.14 0.11 114.94 126.58 2ka0 s ASN 17 Ca -0.01 2.81 0.00 0.00 0.42 0.00 0.00 52.86 56.08 2ka0 s ASN 17 Cb -0.16 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.03 2ka0 s ASN 17 CO -0.08 -0.89 0.46 -0.62 -3.72 0.00 0.00 177.10 172.25 2ka0 n GLU 18 N 3.20 0.83 -0.18 0.43 1.02 -1.26 -3.59 120.64 121.10 2ka0 n GLU 18 Ca 0.12 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.31 2ka0 n GLU 18 Cb 0.37 -1.38 0.15 0.00 -0.02 0.00 0.00 31.44 30.56 2ka0 n GLU 18 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2ka0 n GLU 19 N 0.14 2.88 -5.09 3.49 1.02 -1.26 -4.83 120.64 116.99 2ka0 n GLU 19 Ca 0.00 -2.06 -0.29 0.00 -0.02 0.00 0.00 57.16 54.80 2ka0 n GLU 19 Cb 0.23 -1.28 -0.16 0.00 -0.02 0.00 0.00 31.44 30.21 2ka0 n GLU 19 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2ka0 s TYR 20 N -1.04 2.07 0.15 -0.32 2.02 -1.24 -5.05 117.35 113.93 2ka0 s TYR 20 Ca 0.23 -0.52 -0.23 0.00 -0.37 0.00 0.00 57.07 56.18 2ka0 s TYR 20 Cb 0.12 -1.35 0.03 0.00 -0.40 0.00 0.00 41.96 40.36 2ka0 s TYR 20 CO 0.15 -0.13 1.62 1.49 -1.57 0.00 0.00 175.55 177.12 2ka0 h GLU 21 N 5.90 -0.26 -0.22 -0.62 4.57 -1.92 -2.12 114.58 119.90 2ka0 h GLU 21 Ca -0.36 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 57.84 2ka0 h GLU 21 Cb 1.16 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 2ka0 h GLU 21 CO 0.47 -0.18 0.13 -0.24 -1.18 0.00 0.00 179.01 178.02 2ka0 h VAL 22 N -0.27 1.07 0.04 0.32 3.04 -1.97 -0.09 116.25 118.38 2ka0 h VAL 22 Ca 0.14 -0.16 -0.00 0.00 -1.01 0.00 0.00 66.70 65.66 2ka0 h VAL 22 Cb 0.49 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 2ka0 h VAL 22 CO -0.41 0.07 -0.02 0.58 -1.01 0.00 0.00 177.57 176.79 2ka0 h VAL 23 N 0.30 1.08 -0.65 1.51 2.07 -1.71 0.59 116.25 119.44 2ka0 h VAL 23 Ca 0.08 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.25 2ka0 h VAL 23 Cb -0.00 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 2ka0 h VAL 23 CO -0.01 0.10 0.40 0.11 0.02 0.00 0.00 177.57 178.18 2ka0 h LYS 24 N -0.21 0.77 -0.50 1.57 1.57 -1.06 -2.72 116.57 115.97 2ka0 h LYS 24 Ca -0.01 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 2ka0 h LYS 24 Cb 0.20 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2ka0 h LYS 24 CO 0.01 0.51 0.02 -0.07 -0.57 0.00 0.00 179.45 179.34 2ka0 h LEU 25 N 0.79 0.86 -2.04 2.94 -0.00 -0.85 -2.51 115.31 114.49 2ka0 h LEU 25 Ca 0.26 -0.30 0.12 0.00 -0.00 0.00 0.00 57.88 57.96 2ka0 h LEU 25 Cb 0.02 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 40.43 2ka0 h LEU 25 CO -0.10 0.95 0.32 -0.07 -0.00 0.00 0.00 178.44 179.53 2ka0 h LEU 26 N 0.75 0.00 -1.93 1.67 3.38 -0.58 -1.83 115.31 116.76 2ka0 h LEU 26 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2ka0 h LEU 26 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2ka0 h LEU 26 CO 0.02 0.00 -0.04 0.50 0.09 0.00 0.00 178.44 179.02 2ka0 h LYS 27 N 0.00 0.00 0.00 1.13 3.64 -1.20 0.35 116.57 120.48 2ka0 h LYS 27 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2ka0 h LYS 27 Cb 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2ka0 h LYS 27 CO -0.00 0.04 0.00 0.39 -2.27 0.00 0.00 179.45 177.60 2ka0 n GLU 28 N -4.49 0.20 -0.48 1.90 -0.58 -0.69 -3.65 120.64 112.86 2ka0 n GLU 28 Ca -0.03 0.36 0.07 0.00 -0.42 0.00 0.00 57.16 57.14 2ka0 n GLU 28 Cb 0.12 -1.84 0.13 0.00 -0.57 0.00 0.00 31.44 29.28 2ka0 n GLU 28 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2ka0 n LYS 29 N -2.20 1.04 -5.17 3.49 4.76 0.09 -5.01 118.16 115.17 2ka0 n LYS 29 Ca 0.03 -2.52 -0.30 0.00 -2.87 0.00 0.00 58.31 52.65 2ka0 n LYS 29 Cb 0.27 -1.22 -0.16 0.00 -1.84 0.00 0.00 35.03 32.09 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 -2.24 1.89 0.97 -0.18 1.01 -1.11 -3.95 121.20 117.59 2ka0 s ILE 30 Ca 0.30 -0.99 -0.11 0.00 0.00 0.00 0.00 60.65 59.84 2ka0 s ILE 30 Cb 0.28 -1.59 0.17 0.00 0.01 0.00 0.00 42.46 41.33 2ka0 s ILE 30 CO -0.03 0.53 1.09 -2.16 0.00 0.00 0.00 174.94 174.37 2ka0 s PRO 31 N -0.26 0.62 0.19 2.79 0.04 -1.26 -4.97 135.00 132.15 2ka0 s PRO 31 Ca 0.01 1.00 -0.15 0.00 0.04 0.00 0.00 61.00 61.90 2ka0 s PRO 31 Cb -0.12 -1.72 0.01 0.00 0.04 0.00 0.00 34.50 32.72 2ka0 s PRO 31 CO 0.02 -2.73 0.46 -0.59 0.04 0.00 0.00 177.00 174.20 2ka0 s PHE 32 N -2.74 0.06 0.26 0.56 -0.71 -0.76 -5.01 117.98 109.65 2ka0 s PHE 32 Ca 0.65 -0.42 0.11 0.00 -1.04 0.00 0.00 56.93 56.24 2ka0 s PHE 32 Cb -0.21 0.26 -0.05 0.00 -1.21 0.00 0.00 43.02 41.81 2ka0 s PHE 32 CO 0.59 -0.88 -0.18 -1.21 -1.34 0.00 0.00 175.22 172.20 2ka0 s GLU 33 N -3.91 1.59 0.00 1.99 2.02 -1.26 -0.31 118.70 118.81 2ka0 s GLU 33 Ca 0.13 -1.72 0.00 0.00 0.02 0.00 0.00 54.97 53.39 2ka0 s GLU 33 Cb 0.00 -1.59 0.00 0.00 0.10 0.00 0.00 34.13 32.64 2ka0 s GLU 33 CO -0.01 0.29 0.00 0.45 0.02 0.00 0.00 175.26 176.01 2ka0 n SER 34 N -0.56 0.00 -4.21 -0.19 2.88 -1.14 -5.00 113.62 105.39 2ka0 n SER 34 Ca -0.06 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.19 2ka0 n SER 34 Cb 0.60 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.90 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 -2.68 1.83 -1.32 2.46 1.01 -1.26 -3.93 120.40 116.52 2ka0 s VAL 35 Ca 0.00 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 2ka0 s VAL 35 Cb 0.00 -1.56 0.10 0.00 0.00 0.00 0.00 36.38 34.91 2ka0 s VAL 35 CO 0.00 0.51 1.81 0.52 0.00 0.00 0.00 175.10 177.94 2ka0 n VAL 36 N 3.10 3.95 -2.23 2.92 0.31 -1.26 -4.22 118.33 120.90 2ka0 n VAL 36 Ca -0.18 -4.03 -0.38 0.00 -0.01 0.00 0.00 64.34 59.75 2ka0 n VAL 36 Cb 0.52 -2.44 -0.01 0.00 -0.91 0.00 0.00 33.84 31.00 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 3.23 6.31 0.06 4.52 0.01 -0.22 -2.04 114.94 126.80 2ka0 s ASN 37 Ca 0.48 2.38 0.06 0.00 -0.71 0.00 0.00 52.86 55.06 2ka0 s ASN 37 Cb 0.06 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 39.08 2ka0 s ASN 37 CO 0.01 -0.83 -0.16 0.42 -1.51 0.00 0.00 177.10 175.04 2ka0 s THR 38 N -1.45 1.24 -0.43 1.60 -4.23 -1.26 -0.93 115.64 110.17 2ka0 s THR 38 Ca 0.60 -1.17 0.08 0.00 -1.18 0.00 0.00 61.69 60.02 2ka0 s THR 38 Cb -0.31 -1.14 0.29 0.00 1.34 0.00 0.00 72.50 72.69 2ka0 s THR 38 CO 0.38 -0.04 0.86 1.87 -0.54 0.00 0.00 174.62 177.15 2ka0 n TRP 39 N 1.63 -1.84 -2.14 3.99 -0.00 -0.65 -5.00 117.44 113.43 2ka0 n TRP 39 Ca -0.19 -2.68 -0.03 0.00 -0.00 0.00 0.00 57.50 54.60 2ka0 n TRP 39 Cb 0.54 0.79 0.00 0.00 -0.00 0.00 0.00 31.31 32.65 2ka0 n TRP 39 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2ka0 n GLY 40 N 0.86 -0.92 2.49 5.87 0.00 -1.26 -3.79 105.19 108.44 2ka0 n GLY 40 Ca 0.14 0.42 -0.19 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.62 -1.37 -4.49 1.61 1.02 -1.26 -3.97 120.64 111.56 2ka0 n GLU 41 Ca 0.04 1.09 -0.23 0.00 -0.02 0.00 0.00 57.16 58.04 2ka0 n GLU 41 Cb 0.28 -5.46 -0.14 0.00 -0.02 0.00 0.00 31.44 26.10 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 -4.00 1.20 0.04 3.49 2.56 -1.25 -3.45 118.70 117.29 2ka0 s GLU 42 Ca 0.00 -0.92 0.08 0.00 0.00 0.00 0.00 54.97 54.13 2ka0 s GLU 42 Cb 0.00 -1.30 -0.03 0.00 2.00 0.00 0.00 34.13 34.80 2ka0 s GLU 42 CO 0.00 0.32 -0.23 0.42 -0.56 0.00 0.00 175.26 175.21 2ka0 s ILE 43 N -0.88 1.86 0.07 -3.70 1.01 -1.22 -1.63 121.20 116.71 2ka0 s ILE 43 Ca 0.05 -1.27 -0.09 0.00 0.00 0.00 0.00 60.65 59.35 2ka0 s ILE 43 Cb -0.09 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 40.78 2ka0 s ILE 43 CO 0.02 0.28 0.20 -0.72 0.00 0.00 0.00 174.94 174.72 2ka0 s TYR 44 N -0.79 0.11 0.03 3.97 1.13 -0.11 -1.80 117.35 119.88 2ka0 s TYR 44 Ca 0.09 -0.46 -0.03 0.00 -1.41 0.00 0.00 57.07 55.26 2ka0 s TYR 44 Cb -0.09 -0.04 -0.02 0.00 -1.10 0.00 0.00 41.96 40.71 2ka0 s TYR 44 CO 0.02 -0.51 0.03 -0.59 -2.51 0.00 0.00 175.55 171.99 2ka0 s PHE 45 N -3.40 0.27 -0.62 -3.49 -0.71 -1.26 -1.06 117.98 107.70 2ka0 s PHE 45 Ca 0.01 -0.59 -0.28 0.00 -1.04 0.00 0.00 56.93 55.03 2ka0 s PHE 45 Cb 0.03 -0.20 0.03 0.00 -1.21 0.00 0.00 43.02 41.67 2ka0 s PHE 45 CO -0.09 -0.30 1.22 0.45 -1.34 0.00 0.00 175.22 175.16 2ka0 s SER 46 N -2.00 6.37 0.55 1.98 0.15 -1.26 -1.88 113.70 117.61 2ka0 s SER 46 Ca -0.07 -0.03 -0.20 0.00 0.70 0.00 0.00 55.95 56.35 2ka0 s SER 46 Cb -0.03 -2.56 -0.05 0.00 -1.71 0.00 0.00 66.02 61.67 2ka0 s SER 46 CO -0.04 -1.58 1.16 0.42 1.20 0.00 0.00 173.24 174.40 2ka0 s THR 47 N 5.19 3.00 0.17 6.45 -4.23 -1.00 -4.91 115.64 120.32 2ka0 s THR 47 Ca 0.41 0.64 -0.05 0.00 -1.18 0.00 0.00 61.69 61.51 2ka0 s THR 47 Cb -0.08 -3.26 -0.07 0.00 1.34 0.00 0.00 72.50 70.43 2ka0 s THR 47 CO 0.23 -0.12 1.47 1.55 -0.54 0.00 0.00 174.62 177.20 2ka0 h PRO 48 N 1.20 0.60 -7.06 3.99 0.13 -1.93 -3.43 132.00 125.49 2ka0 h PRO 48 Ca -0.50 -0.40 -0.49 0.00 -0.87 0.00 0.00 66.00 63.74 2ka0 h PRO 48 Cb 1.27 0.06 0.05 0.00 0.13 0.00 0.00 31.00 32.51 2ka0 h PRO 48 CO 0.57 1.02 0.42 0.54 -0.23 0.00 0.00 178.00 180.32 2ka0 s VAL 49 N -3.94 3.39 -0.09 1.56 0.11 -1.26 -5.06 120.40 115.11 2ka0 s VAL 49 Ca -0.08 0.89 -0.00 0.00 -2.93 0.00 0.00 61.98 59.86 2ka0 s VAL 49 Cb 0.11 -3.38 0.02 0.00 -1.53 0.00 0.00 36.38 31.60 2ka0 s VAL 49 CO 0.85 -0.16 -0.05 0.20 -3.33 0.00 0.00 175.10 172.62 2ka0 s ASN 50 N -1.78 1.79 0.01 3.54 0.02 -1.26 -4.89 114.94 112.37 2ka0 s ASN 50 Ca 0.69 -0.20 0.00 0.00 -1.02 0.00 0.00 52.86 52.33 2ka0 s ASN 50 Cb -0.22 -0.65 -0.01 0.00 0.02 0.00 0.00 41.25 40.39 2ka0 s ASN 50 CO 0.26 -0.13 -0.01 -0.69 0.02 0.00 0.00 177.10 176.55 2ka0 s VAL 51 N 1.63 0.05 -0.22 1.60 1.01 -1.26 -5.07 120.40 118.15 2ka0 s VAL 51 Ca 0.02 -0.35 0.15 0.00 0.00 0.00 0.00 61.98 61.80 2ka0 s VAL 51 Cb -0.13 -0.11 0.46 0.00 0.00 0.00 0.00 36.38 36.60 2ka0 s VAL 51 CO -0.05 -0.19 1.17 0.00 0.00 0.00 0.00 175.10 176.03 2ka0 n GLN 52 N 2.51 2.12 -3.89 2.72 6.02 -1.26 -4.64 117.38 120.96 2ka0 n GLN 52 Ca -0.17 -3.48 -0.28 0.00 -0.01 0.00 0.00 57.00 53.07 2ka0 n GLN 52 Cb 0.58 -1.61 -0.16 0.00 1.02 0.00 0.00 30.24 30.07 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 -3.02 1.44 0.40 -1.09 2.20 -1.26 -5.14 119.74 113.27 2ka0 s LYS 53 Ca 0.39 -0.54 0.01 0.00 -0.36 0.00 0.00 55.97 55.46 2ka0 s LYS 53 Cb 0.37 -2.05 -0.02 0.00 -1.51 0.00 0.00 37.83 34.63 2ka0 s LYS 53 CO -0.04 -0.44 0.61 0.00 -0.36 0.00 0.00 175.35 175.12 2ka0 s MET 54 N 1.62 3.28 -0.06 4.03 0.00 -1.26 -4.89 119.30 122.02 2ka0 s MET 54 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 55.69 55.28 2ka0 s MET 54 Cb -0.15 -2.61 -0.04 0.00 0.00 0.00 0.00 34.83 32.02 2ka0 s MET 54 CO -0.08 -0.05 -0.05 0.39 0.00 0.00 0.00 175.02 175.22 2ka0 n GLU 55 N -1.93 0.22 -3.00 3.16 -0.58 -1.26 -4.90 120.64 112.35 2ka0 n GLU 55 Ca -0.02 0.04 -0.26 0.00 -0.42 0.00 0.00 57.16 56.50 2ka0 n GLU 55 Cb 0.57 -1.12 -0.04 0.00 -0.57 0.00 0.00 31.44 30.27 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 -2.67 4.07 -4.73 1.62 5.15 -1.26 -5.07 115.26 112.37 2ka0 n ASN 56 Ca -0.11 -3.60 -0.42 0.00 -0.60 0.00 0.00 54.58 49.85 2ka0 n ASN 56 Cb 0.62 -0.57 -0.03 0.00 -0.53 0.00 0.00 39.78 39.27 2ka0 n ASN 56 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2ka0 s PRO 57 N -3.29 4.23 -0.09 1.20 0.04 -1.26 -1.24 135.00 134.59 2ka0 s PRO 57 Ca 0.47 2.34 0.01 0.00 0.04 0.00 0.00 61.00 63.86 2ka0 s PRO 57 Cb 0.28 -3.14 0.02 0.00 0.04 0.00 0.00 34.50 31.69 2ka0 s PRO 57 CO -0.12 -0.55 -0.09 1.03 0.04 0.00 0.00 177.00 177.30 2ka0 s ARG 58 N 0.69 1.51 0.00 4.56 1.81 -0.99 -4.89 118.95 121.63 2ka0 s ARG 58 Ca 0.67 -0.30 0.27 0.00 -1.72 0.00 0.00 55.73 54.65 2ka0 s ARG 58 Cb -0.43 -1.43 1.00 0.00 -0.45 0.00 0.00 34.95 33.64 2ka0 s ARG 58 CO 0.35 -0.13 1.71 0.39 -0.68 0.00 0.00 175.30 176.94 2ka0 n GLU 59 N 4.41 1.69 -4.02 3.54 1.02 -1.26 -4.32 120.64 121.69 2ka0 n GLU 59 Ca -0.18 -1.00 -0.16 0.00 -0.02 0.00 0.00 57.16 55.80 2ka0 n GLU 59 Cb 0.51 -1.47 -0.15 0.00 -0.02 0.00 0.00 31.44 30.31 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 -1.98 0.26 0.25 2.62 1.01 -1.26 -4.36 120.40 116.94 2ka0 s VAL 60 Ca 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.29 2ka0 s VAL 60 Cb 0.21 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 36.28 2ka0 s VAL 60 CO 0.33 0.11 0.23 0.68 0.00 0.00 0.00 175.10 176.45 2ka0 s VAL 61 N 0.39 0.00 0.38 2.92 -7.23 -1.25 -5.03 120.40 110.58 2ka0 s VAL 61 Ca -0.04 -1.92 0.08 0.00 -1.81 0.00 0.00 61.98 58.29 2ka0 s VAL 61 Cb -0.07 -2.49 -0.06 0.00 0.56 0.00 0.00 36.38 34.33 2ka0 s VAL 61 CO -0.01 0.00 0.09 -1.61 -0.31 0.00 0.00 175.10 173.26 2ka0 s GLU 62 N -3.86 2.13 -1.37 4.82 2.02 -1.26 -4.60 118.70 116.58 2ka0 s GLU 62 Ca 0.37 -1.85 -0.14 0.00 0.02 0.00 0.00 54.97 53.37 2ka0 s GLU 62 Cb 0.04 -1.91 -0.00 0.00 0.10 0.00 0.00 34.13 32.36 2ka0 s GLU 62 CO 0.17 -0.01 2.26 -0.89 0.02 0.00 0.00 175.26 176.81 2ka0 n ILE 63 N -1.09 3.30 0.00 -1.63 5.41 -1.26 -2.06 119.36 122.03 2ka0 n ILE 63 Ca -0.03 -2.74 0.00 0.00 1.00 0.00 0.00 62.75 60.98 2ka0 n ILE 63 Cb 0.64 -2.56 0.00 0.00 -0.71 0.00 0.00 39.64 37.01 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 4.10 -0.18 3.99 7.39 0.00 -0.90 -4.89 105.19 114.69 2ka0 n GLY 64 Ca 0.54 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.34 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 4.81 0.02 1.61 1.01 -0.87 -0.80 116.67 122.45 2ka0 s ASP 65 Ca 0.00 -0.27 0.01 0.00 0.71 0.00 0.00 52.55 53.01 2ka0 s ASP 65 Cb 0.00 -0.34 -0.02 0.00 1.01 0.00 0.00 42.92 43.57 2ka0 s ASP 65 CO 0.00 -1.51 -0.05 -0.69 0.21 0.00 0.00 175.17 173.13 2ka0 s VAL 66 N -2.93 0.36 0.07 -1.27 1.01 -0.56 -3.77 120.40 113.30 2ka0 s VAL 66 Ca 0.62 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 2ka0 s VAL 66 Cb -0.07 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 2ka0 s VAL 66 CO 0.41 -0.25 -0.02 -0.83 0.00 0.00 0.00 175.10 174.42 2ka0 s GLY 67 N -1.04 0.59 0.35 4.51 0.00 -1.25 -2.77 107.32 107.71 2ka0 s GLY 67 Ca -0.07 -1.27 -0.23 0.00 0.00 0.00 0.00 44.72 43.15 2ka0 s GLY 67 CO -0.00 -1.34 0.90 -0.47 0.00 0.00 0.00 173.10 172.19 2ka0 s TYR 68 N -3.92 3.53 -0.59 1.90 5.04 -1.21 -1.91 117.35 120.18 2ka0 s TYR 68 Ca 0.11 1.63 0.04 0.00 -2.44 0.00 0.00 57.07 56.41 2ka0 s TYR 68 Cb 0.08 -2.83 0.15 0.00 0.35 0.00 0.00 41.96 39.71 2ka0 s TYR 68 CO -0.07 0.11 0.36 -0.46 -1.34 0.00 0.00 175.55 174.15 2ka0 s TRP 69 N -1.83 3.24 0.28 4.97 -0.00 0.59 -3.62 118.94 122.57 2ka0 s TRP 69 Ca 0.54 -3.19 -0.02 0.00 -0.00 0.00 0.00 56.10 53.42 2ka0 s TRP 69 Cb -0.14 -2.67 0.41 0.00 -0.00 0.00 0.00 33.47 31.07 2ka0 s TRP 69 CO 0.19 -0.66 1.94 -1.00 -0.00 0.00 0.00 176.95 177.42 2ka0 h PRO 70 N 6.00 1.13 0.00 5.86 0.13 -1.82 -1.31 132.00 141.99 2ka0 h PRO 70 Ca 0.03 -0.07 -0.08 0.00 -0.87 0.00 0.00 66.00 65.02 2ka0 h PRO 70 Cb 0.83 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 2ka0 h PRO 70 CO 0.68 0.75 -0.36 -1.00 -0.23 0.00 0.00 178.00 177.84 2ka0 h PRO 71 N 1.17 0.00 -0.23 1.56 0.13 -1.94 -1.71 132.00 130.99 2ka0 h PRO 71 Ca 0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.49 2ka0 h PRO 71 Cb -0.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.11 2ka0 h PRO 71 CO -0.10 0.36 0.00 0.41 -0.23 0.00 0.00 178.00 178.44 2ka0 n GLY 72 N -0.29 0.72 2.27 1.56 0.00 -1.06 -4.94 105.19 103.45 2ka0 n GLY 72 Ca -0.01 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 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 0.69 -1.79 -4.46 1.61 4.01 -0.64 -4.87 118.16 112.71 2ka0 n LYS 73 Ca 0.17 0.72 -0.24 0.00 -0.51 0.00 0.00 58.31 58.45 2ka0 n LYS 73 Cb 0.42 -5.18 -0.08 0.00 -0.51 0.00 0.00 35.03 29.67 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 -2.46 2.65 0.74 7.82 0.00 -0.55 -2.36 121.76 127.60 2ka0 s ALA 74 Ca 0.00 -1.43 -0.03 0.00 0.00 0.00 0.00 51.96 50.51 2ka0 s ALA 74 Cb 0.00 0.93 0.06 0.00 0.00 0.00 0.00 23.12 24.10 2ka0 s ALA 74 CO 0.00 -0.42 0.35 -0.11 0.00 0.00 0.00 175.76 175.59 2ka0 n LEU 75 N -0.83 0.00 -3.81 0.00 7.94 -0.79 -0.30 117.00 119.21 2ka0 n LEU 75 Ca -0.03 -0.55 -0.10 0.00 -1.11 0.00 0.00 56.01 54.23 2ka0 n LEU 75 Cb 0.64 -0.25 -0.07 0.00 0.53 0.00 0.00 43.42 44.27 2ka0 n LEU 75 CO 0.35 -0.72 -0.04 0.00 -1.11 0.00 0.00 177.39 175.86 2ka0 s LEU 77 N -2.60 -0.26 -0.44 0.00 1.43 -0.75 -3.75 118.68 112.31 2ka0 s LEU 77 Ca 0.02 0.18 -0.13 0.00 -1.03 0.00 0.00 54.13 53.17 2ka0 s LEU 77 Cb 0.03 0.61 0.06 0.00 0.03 0.00 0.00 46.19 46.92 2ka0 s LEU 77 CO -0.09 -0.29 0.32 -0.36 0.23 0.00 0.00 176.35 176.16 2ka0 s PHE 78 N 2.39 3.27 -0.01 0.29 0.08 -1.25 -3.38 117.98 119.38 2ka0 s PHE 78 Ca 0.05 -1.09 0.01 0.00 0.12 0.00 0.00 56.93 56.03 2ka0 s PHE 78 Cb -0.14 -2.95 0.02 0.00 -0.57 0.00 0.00 43.02 39.38 2ka0 s PHE 78 CO -0.11 -0.77 0.93 1.97 -0.10 0.00 0.00 175.22 177.14 2ka0 n PHE 79 N 5.08 0.00 0.00 0.36 -1.74 -1.22 -2.13 117.46 117.81 2ka0 n PHE 79 Ca -0.11 -0.08 0.00 0.00 -0.56 0.00 0.00 57.45 56.70 2ka0 n PHE 79 Cb 0.44 -0.05 0.00 0.00 1.52 0.00 0.00 39.48 41.39 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 -0.11 2.84 2.80 4.97 0.00 -1.25 -4.98 105.19 109.45 2ka0 n GLY 80 Ca 0.01 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 4.42 1.23 0.71 1.61 2.20 -1.26 -4.85 119.74 123.80 2ka0 s LYS 81 Ca 0.00 -1.79 -0.15 0.00 -0.36 0.00 0.00 55.97 53.67 2ka0 s LYS 81 Cb 0.00 -2.49 0.03 0.00 -1.51 0.00 0.00 37.83 33.85 2ka0 s LYS 81 CO 0.00 -1.07 1.18 0.95 -0.36 0.00 0.00 175.35 176.05 2ka0 s THR 82 N 0.73 2.59 -2.00 3.43 -4.23 -1.26 -4.82 115.64 110.08 2ka0 s THR 82 Ca 0.14 0.29 0.10 0.00 -1.18 0.00 0.00 61.69 61.04 2ka0 s THR 82 Cb -0.22 -2.84 0.27 0.00 1.34 0.00 0.00 72.50 71.06 2ka0 s THR 82 CO -0.08 -0.16 1.10 -0.81 -0.54 0.00 0.00 174.62 174.13 2ka0 n PRO 83 N -2.60 0.65 -0.62 3.99 -0.04 -1.25 -2.03 135.00 133.09 2ka0 n PRO 83 Ca 0.12 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.60 2ka0 n PRO 83 Cb 0.51 -1.23 0.22 0.00 -0.04 0.00 0.00 33.50 32.96 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 -0.73 2.32 -4.23 0.54 1.56 -1.26 -4.98 117.12 110.34 2ka0 n MET 84 Ca 0.07 -3.00 -0.13 0.00 -0.27 0.00 0.00 57.70 54.37 2ka0 n MET 84 Cb 0.03 -1.83 -0.10 0.00 2.15 0.00 0.00 33.22 33.47 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 -2.24 0.89 0.06 6.12 0.01 -0.86 -4.44 113.70 113.23 2ka0 s SER 85 Ca 0.43 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 56.43 2ka0 s SER 85 Cb 0.37 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.80 2ka0 s SER 85 CO 0.04 -0.68 0.00 -0.67 0.41 0.00 0.00 173.24 172.35 2ka0 n ASP 86 N -0.27 -0.40 -0.02 2.44 -0.08 -1.26 -4.92 116.55 112.04 2ka0 n ASP 86 Ca -0.04 0.11 -0.13 0.00 -1.51 0.00 0.00 54.79 53.22 2ka0 n ASP 86 Cb 0.64 0.66 -0.10 0.00 2.34 0.00 0.00 41.12 44.66 2ka0 n ASP 86 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2ka0 h ASP 87 N 0.00 -0.03 -3.11 1.67 3.58 -2.00 -3.47 116.42 113.06 2ka0 h ASP 87 Ca 0.00 -0.63 -0.56 0.00 0.42 0.00 0.00 57.03 56.27 2ka0 h ASP 87 Cb 0.00 0.01 -0.13 0.00 1.72 0.00 0.00 39.33 40.93 2ka0 h ASP 87 CO 0.00 0.63 -0.52 -1.59 -2.88 0.00 0.00 179.24 174.88 2ka0 s LYS 88 N -3.43 1.92 0.25 0.28 -2.85 -1.26 -5.14 119.74 109.50 2ka0 s LYS 88 Ca -0.16 -2.17 -0.28 0.00 -1.00 0.00 0.00 55.97 52.36 2ka0 s LYS 88 Cb -0.00 -0.63 -0.09 0.00 -2.06 0.00 0.00 37.83 35.04 2ka0 s LYS 88 CO 0.64 -0.46 0.91 0.42 0.10 0.00 0.00 175.35 176.95 2ka0 s ILE 89 N -3.21 4.17 -0.00 3.79 1.01 -1.26 -4.66 121.20 121.03 2ka0 s ILE 89 Ca 0.24 1.94 -0.02 0.00 0.00 0.00 0.00 60.65 62.81 2ka0 s ILE 89 Cb 0.03 -4.21 -0.00 0.00 0.01 0.00 0.00 42.46 38.28 2ka0 s ILE 89 CO 0.14 0.41 0.04 -1.10 0.00 0.00 0.00 174.94 174.44 2ka0 s GLN 90 N -1.40 0.21 0.80 2.79 -0.21 -1.26 -3.78 119.66 116.81 2ka0 s GLN 90 Ca 0.42 -0.23 -0.12 0.00 0.02 0.00 0.00 55.36 55.45 2ka0 s GLN 90 Cb -0.24 0.08 0.07 0.00 1.00 0.00 0.00 33.01 33.93 2ka0 s GLN 90 CO 0.29 -0.04 1.17 -1.25 -2.12 0.00 0.00 175.29 173.34 2ka0 s PRO 91 N -0.69 2.03 0.43 2.91 0.04 -1.26 -4.43 135.00 134.03 2ka0 s PRO 91 Ca -0.08 0.13 0.30 0.00 0.04 0.00 0.00 61.00 61.40 2ka0 s PRO 91 Cb -0.05 -1.96 1.42 0.00 0.04 0.00 0.00 34.50 33.96 2ka0 s PRO 91 CO -0.00 -1.55 1.91 0.00 0.04 0.00 0.00 177.00 177.40 2ka0 h ALA 92 N -1.02 1.00 -1.91 8.56 0.00 -1.98 -3.45 119.26 120.46 2ka0 h ALA 92 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2ka0 h ALA 92 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2ka0 h ALA 92 CO 0.66 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.78 2ka0 n SER 93 N -2.63 0.00 -4.27 0.00 3.41 -1.26 -5.04 113.62 103.83 2ka0 n SER 93 Ca -0.00 -0.89 -0.30 0.00 -0.26 0.00 0.00 58.87 57.42 2ka0 n SER 93 Cb 0.17 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.04 2ka0 n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ka0 n ALA 94 N -3.00 1.70 -0.78 7.33 0.00 -1.26 -4.90 120.51 119.60 2ka0 n ALA 94 Ca 0.00 -2.89 -0.28 0.00 0.00 0.00 0.00 53.44 50.27 2ka0 n ALA 94 Cb 0.00 -3.51 0.23 0.00 0.00 0.00 0.00 19.45 16.16 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 10.67 2.01 -0.13 0.00 -7.23 -1.26 -4.88 120.40 119.58 2ka0 s VAL 95 Ca 0.69 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.86 2ka0 s VAL 95 Cb 0.03 -2.23 -0.01 0.00 0.56 0.00 0.00 36.38 34.73 2ka0 s VAL 95 CO 0.17 -0.00 -0.14 0.54 -0.31 0.00 0.00 175.10 175.35 2ka0 s ASN 96 N -2.88 3.91 -1.10 4.85 2.20 -1.24 -2.36 114.94 118.32 2ka0 s ASN 96 Ca 0.67 -0.36 -0.22 0.00 -0.94 0.00 0.00 52.86 52.02 2ka0 s ASN 96 Cb -0.23 -1.60 0.03 0.00 -2.00 0.00 0.00 41.25 37.46 2ka0 s ASN 96 CO 0.62 0.15 1.64 -0.69 -2.94 0.00 0.00 177.10 175.88 2ka0 s VAL 97 N 0.44 3.89 -0.06 3.54 1.01 -0.37 -3.36 120.40 125.48 2ka0 s VAL 97 Ca -0.10 -1.08 0.17 0.00 0.00 0.00 0.00 61.98 60.97 2ka0 s VAL 97 Cb -0.16 -4.93 -0.26 0.00 0.00 0.00 0.00 36.38 31.04 2ka0 s VAL 97 CO 0.05 -1.76 0.30 2.30 0.00 0.00 0.00 175.10 175.99 2ka0 n ILE 98 N 6.94 0.30 -4.39 2.22 -5.35 -1.23 -4.78 119.36 113.07 2ka0 n ILE 98 Ca 0.40 -0.48 -0.25 0.00 -0.27 0.00 0.00 62.75 62.15 2ka0 n ILE 98 Cb 0.49 -0.08 -0.09 0.00 -1.74 0.00 0.00 39.64 38.22 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 -4.31 2.02 0.04 3.28 0.00 -1.12 -2.89 107.32 104.35 2ka0 s GLY 99 Ca -0.07 -1.94 0.06 0.00 0.00 0.00 0.00 44.72 42.77 2ka0 s GLY 99 CO 0.72 -1.92 -0.16 1.25 0.00 0.00 0.00 173.10 173.00 2ka0 s LYS 100 N -3.66 1.07 -0.60 2.90 2.47 0.04 -1.50 119.74 120.46 2ka0 s LYS 100 Ca 0.33 -0.80 -0.27 0.00 -1.56 0.00 0.00 55.97 53.67 2ka0 s LYS 100 Cb -0.01 -1.11 0.00 0.00 -1.46 0.00 0.00 37.83 35.25 2ka0 s LYS 100 CO 0.18 0.28 1.58 0.42 0.16 0.00 0.00 175.35 177.97 2ka0 s ILE 101 N -0.82 3.59 -0.10 5.43 1.01 0.02 -1.31 121.20 129.02 2ka0 s ILE 101 Ca 0.03 0.42 0.16 0.00 0.00 0.00 0.00 60.65 61.26 2ka0 s ILE 101 Cb -0.08 -4.30 -0.20 0.00 0.01 0.00 0.00 42.46 37.89 2ka0 s ILE 101 CO 0.01 -1.17 0.62 0.55 0.00 0.00 0.00 174.94 174.96 2ka0 n VAL 102 N 6.93 1.34 -3.61 2.92 3.14 -0.84 -4.83 118.33 123.37 2ka0 n VAL 102 Ca 0.14 -0.75 -0.11 0.00 -2.96 0.00 0.00 64.34 60.66 2ka0 n VAL 102 Cb 0.50 -0.78 -0.04 0.00 -1.06 0.00 0.00 33.84 32.46 2ka0 n VAL 102 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2ka0 s GLU 103 N -2.75 1.22 0.00 1.45 2.02 -0.61 -5.01 118.70 115.01 2ka0 s GLU 103 Ca -0.05 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.24 2ka0 s GLU 103 Cb 0.08 0.52 0.00 0.00 0.10 0.00 0.00 34.13 34.83 2ka0 s GLU 103 CO 0.82 -0.51 0.00 0.41 0.02 0.00 0.00 175.26 176.01 2ka0 n GLY 104 N -0.30 0.48 0.32 -1.39 0.00 -1.26 -1.63 105.19 101.41 2ka0 n GLY 104 Ca -0.14 -0.84 -0.05 0.00 0.00 0.00 0.00 46.02 44.99 2ka0 n GLY 104 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ka0 h LEU 105 N 0.00 0.98 -0.03 0.99 5.85 -1.93 -2.93 115.31 118.24 2ka0 h LEU 105 Ca 0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2ka0 h LEU 105 Cb 0.96 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2ka0 h LEU 105 CO 0.00 0.80 0.00 -0.33 -0.34 0.00 0.00 178.44 178.57 2ka0 h GLU 106 N 1.08 0.00 0.00 1.25 5.08 -1.97 -3.19 114.58 116.84 2ka0 h GLU 106 Ca 0.27 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2ka0 h GLU 106 Cb 0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2ka0 h GLU 106 CO -0.04 0.00 -0.00 -0.44 -1.00 0.00 0.00 179.01 177.52 2ka0 h ASP 107 N 0.00 0.00 -0.05 1.42 5.19 -1.82 -1.56 116.42 119.60 2ka0 h ASP 107 Ca 0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 2ka0 h ASP 107 Cb 0.98 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.48 2ka0 h ASP 107 CO 0.00 0.00 -0.24 -0.07 -3.12 0.00 0.00 179.24 175.82 2ka0 h LEU 108 N 0.00 0.47 0.00 1.55 4.07 -1.68 -2.20 115.31 117.52 2ka0 h LEU 108 Ca -0.00 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.81 2ka0 h LEU 108 Cb 0.02 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.63 2ka0 h LEU 108 CO 0.00 0.70 0.00 0.29 -1.08 0.00 0.00 178.44 178.35 2ka0 n LYS 109 N -4.13 0.28 -0.01 1.13 5.02 -0.59 -2.77 118.16 117.09 2ka0 n LYS 109 Ca -0.00 0.08 0.10 0.00 -2.02 0.00 0.00 58.31 56.47 2ka0 n LYS 109 Cb 0.39 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.76 2ka0 n LYS 109 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2ka0 n LYS 110 N -1.13 0.51 -2.60 1.97 5.02 -0.83 -5.03 118.16 116.07 2ka0 n LYS 110 Ca 0.07 -0.12 -0.25 0.00 -2.02 0.00 0.00 58.31 56.00 2ka0 n LYS 110 Cb 0.06 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 33.62 2ka0 n LYS 110 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2ka0 s ILE 111 N -3.24 3.64 0.54 -0.18 -1.09 -1.11 -4.91 121.20 114.84 2ka0 s ILE 111 Ca -0.02 -0.22 0.03 0.00 -2.23 0.00 0.00 60.65 58.21 2ka0 s ILE 111 Cb 0.14 -3.41 0.03 0.00 -1.58 0.00 0.00 42.46 37.64 2ka0 s ILE 111 CO 0.85 -0.37 0.26 0.29 -1.23 0.00 0.00 174.94 174.74 2ka0 n LYS 112 N -2.41 0.70 0.00 2.79 4.76 -1.26 -5.02 118.16 117.72 2ka0 n LYS 112 Ca 0.04 -3.57 0.00 0.00 -2.87 0.00 0.00 58.31 51.90 2ka0 n LYS 112 Cb 0.58 0.61 0.00 0.00 -1.84 0.00 0.00 35.03 34.38 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 -1.63 0.59 0.00 4.39 2.03 -1.25 -3.67 116.55 117.01 2ka0 n ASP 113 Ca -0.09 -0.82 0.00 0.00 0.52 0.00 0.00 54.79 54.40 2ka0 n ASP 113 Cb 0.64 -0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 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 0.41 0.00 1.96 0.27 0.00 -0.87 -4.25 105.19 102.71 2ka0 n GLY 114 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 1.91 -3.34 1.61 -0.58 -1.24 -4.50 120.64 114.49 2ka0 n GLU 115 Ca 0.00 -0.91 -0.26 0.00 -0.42 0.00 0.00 57.16 55.56 2ka0 n GLU 115 Cb 0.00 -1.91 0.03 0.00 -0.57 0.00 0.00 31.44 28.99 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 2.40 -1.68 -2.41 3.49 5.02 -1.26 -1.23 118.16 122.49 2ka0 n LYS 116 Ca 0.39 1.41 -0.41 0.00 -2.02 0.00 0.00 58.31 57.68 2ka0 n LYS 116 Cb 0.88 -2.31 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 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 -1.49 3.77 -0.64 -0.18 0.11 -1.25 -3.80 120.40 116.91 2ka0 s VAL 117 Ca 0.28 0.62 -0.23 0.00 -2.93 0.00 0.00 61.98 59.72 2ka0 s VAL 117 Cb -0.03 -4.50 0.06 0.00 -1.53 0.00 0.00 36.38 30.38 2ka0 s VAL 117 CO 0.67 -1.27 0.98 0.00 -3.33 0.00 0.00 175.10 172.15 2ka0 s ALA 118 N 6.12 3.10 0.10 1.54 0.00 0.68 -2.90 121.76 130.40 2ka0 s ALA 118 Ca 0.50 -1.71 -0.30 0.00 0.00 0.00 0.00 51.96 50.45 2ka0 s ALA 118 Cb -0.10 -3.86 -0.05 0.00 0.00 0.00 0.00 23.12 19.11 2ka0 s ALA 118 CO 0.23 -2.73 0.97 0.08 0.00 0.00 0.00 175.76 174.31 2ka0 s VAL 119 N 4.13 4.51 0.29 0.00 1.01 0.58 -1.47 120.40 129.45 2ka0 s VAL 119 Ca 0.24 2.04 0.04 0.00 0.00 0.00 0.00 61.98 64.30 2ka0 s VAL 119 Cb -0.16 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 2ka0 s VAL 119 CO 0.12 0.29 0.20 -0.13 0.00 0.00 0.00 175.10 175.59 2ka0 s ARG 120 N 0.13 1.55 0.01 2.72 0.52 0.76 -1.82 118.95 122.82 2ka0 s ARG 120 Ca 0.48 -1.88 0.20 0.00 -0.52 0.00 0.00 55.73 54.01 2ka0 s ARG 120 Cb -0.23 0.21 0.85 0.00 0.52 0.00 0.00 34.95 36.29 2ka0 s ARG 120 CO 0.30 -0.53 1.64 1.19 0.02 0.00 0.00 175.30 177.92 2ka0 n PHE 121 N -0.51 0.04 -1.19 -0.53 3.72 -1.26 -0.46 117.46 117.26 2ka0 n PHE 121 Ca 0.04 0.01 0.15 0.00 -0.05 0.00 0.00 57.45 57.60 2ka0 n PHE 121 Cb 0.64 -0.52 -0.07 0.00 -0.94 0.00 0.00 39.48 38.59 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 -1.51 -3.13 -1.08 4.37 0.00 -1.26 -2.93 120.51 114.97 2ka0 n ALA 122 Ca 0.05 0.72 0.00 0.00 0.00 0.00 0.00 53.44 54.21 2ka0 n ALA 122 Cb 0.23 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 -3.95 0.00 0.00 0.00 7.64 -1.26 -4.97 113.62 111.08 2ka0 n SER 123 Ca -0.07 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.81 2ka0 n SER 123 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 2ka0 n SER 123 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83