#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka0 s ARG 2 N 0.00 3.49 -0.10 3.17 1.81 -1.26 -1.19 118.95 124.87 2ka0 s ARG 2 Ca 0.00 1.69 -0.13 0.00 -1.72 0.00 0.00 55.73 55.58 2ka0 s ARG 2 Cb 0.00 -2.16 0.03 0.00 -0.45 0.00 0.00 34.95 32.37 2ka0 s ARG 2 CO 0.00 -0.76 0.33 0.08 -0.68 0.00 0.00 175.30 174.27 2ka0 s VAL 3 N -1.67 0.02 -0.05 3.52 1.01 -0.52 -4.34 120.40 118.36 2ka0 s VAL 3 Ca 0.69 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.60 2ka0 s VAL 3 Cb -0.26 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 2ka0 s VAL 3 CO 0.30 -0.07 -0.21 -0.70 0.00 0.00 0.00 175.10 174.42 2ka0 s GLU 4 N -0.24 2.43 -0.38 2.72 2.12 0.31 -0.37 118.70 125.29 2ka0 s GLU 4 Ca -0.04 -0.84 0.02 0.00 0.36 0.00 0.00 54.97 54.48 2ka0 s GLU 4 Cb -0.03 -2.21 0.11 0.00 0.26 0.00 0.00 34.13 32.25 2ka0 s GLU 4 CO 0.01 0.51 0.11 -0.51 -0.54 0.00 0.00 175.26 174.85 2ka0 s LEU 5 N -0.46 4.85 -0.20 2.70 1.43 0.41 -0.66 118.68 126.74 2ka0 s LEU 5 Ca 0.05 -2.22 -0.10 0.00 -1.03 0.00 0.00 54.13 50.84 2ka0 s LEU 5 Cb -0.12 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 2ka0 s LEU 5 CO 0.01 -0.40 0.12 -0.22 0.23 0.00 0.00 176.35 176.09 2ka0 s LEU 6 N 0.83 4.15 0.00 1.79 0.20 -0.59 -0.82 118.68 124.23 2ka0 s LEU 6 Ca 0.11 0.20 0.01 0.00 0.69 0.00 0.00 54.13 55.14 2ka0 s LEU 6 Cb -0.20 -2.07 -0.00 0.00 -0.43 0.00 0.00 46.19 43.48 2ka0 s LEU 6 CO -0.06 0.17 0.04 0.49 -0.29 0.00 0.00 176.35 176.70 2ka0 n PHE 7 N 3.56 0.49 0.15 5.38 3.01 0.23 -0.27 117.46 130.01 2ka0 n PHE 7 Ca -0.16 -1.63 -0.14 0.00 1.01 0.00 0.00 57.45 56.54 2ka0 n PHE 7 Cb 0.52 -0.13 -0.08 0.00 -0.01 0.00 0.00 39.48 39.78 2ka0 n PHE 7 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2ka0 h GLU 8 N 0.00 -0.36 0.00 -1.08 5.08 -1.66 -3.33 114.58 113.23 2ka0 h GLU 8 Ca -0.24 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2ka0 h GLU 8 Cb 0.80 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 2ka0 h GLU 8 CO 0.40 -0.07 -0.07 1.03 -1.00 0.00 0.00 179.01 179.30 2ka0 h SER 9 N -0.65 0.00 0.00 1.42 0.87 -1.87 -3.48 113.55 109.84 2ka0 h SER 9 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2ka0 h SER 9 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2ka0 h SER 9 CO 0.06 0.07 0.00 0.61 -0.53 0.00 0.00 176.83 177.04 2ka0 n GLY 10 N 0.69 -0.71 3.53 5.77 0.00 -1.25 -5.04 105.19 108.18 2ka0 n GLY 10 Ca 0.02 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.40 0.86 0.25 1.61 -2.85 -1.26 -0.60 119.74 117.36 2ka0 s LYS 11 Ca 0.00 0.04 0.01 0.00 -1.00 0.00 0.00 55.97 55.01 2ka0 s LYS 11 Cb 0.00 0.40 -0.03 0.00 -2.06 0.00 0.00 37.83 36.14 2ka0 s LYS 11 CO 0.00 -0.30 0.22 0.00 0.10 0.00 0.00 175.35 175.37 2ka0 s VAL 13 N -3.84 -0.06 0.36 0.00 1.01 -0.27 -0.45 120.40 117.15 2ka0 s VAL 13 Ca 0.38 0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.66 2ka0 s VAL 13 Cb 0.05 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 36.26 2ka0 s VAL 13 CO 0.18 0.09 0.10 0.27 0.00 0.00 0.00 175.10 175.73 2ka0 s ILE 14 N 1.14 2.66 0.10 2.22 -4.36 0.50 -1.46 121.20 121.99 2ka0 s ILE 14 Ca -0.09 -1.81 0.09 0.00 -0.26 0.00 0.00 60.65 58.58 2ka0 s ILE 14 Cb -0.13 -2.91 -0.04 0.00 1.25 0.00 0.00 42.46 40.64 2ka0 s ILE 14 CO -0.04 -0.14 -0.23 -0.62 0.24 0.00 0.00 174.94 174.16 2ka0 s ASP 15 N -3.81 2.78 -0.02 4.36 -1.08 -0.54 -1.44 116.67 116.92 2ka0 s ASP 15 Ca 0.37 -0.69 0.00 0.00 -0.52 0.00 0.00 52.55 51.72 2ka0 s ASP 15 Cb 0.00 -0.17 0.02 0.00 -1.46 0.00 0.00 42.92 41.31 2ka0 s ASP 15 CO 0.21 0.11 0.01 -0.76 0.52 0.00 0.00 175.17 175.26 2ka0 s LEU 16 N -1.87 1.30 -0.12 -1.34 1.43 -0.33 -0.97 118.68 116.77 2ka0 s LEU 16 Ca 0.09 0.01 -0.25 0.00 -1.03 0.00 0.00 54.13 52.95 2ka0 s LEU 16 Cb -0.10 -0.12 -0.02 0.00 0.03 0.00 0.00 46.19 45.98 2ka0 s LEU 16 CO 0.04 -0.09 0.79 0.21 0.23 0.00 0.00 176.35 177.54 2ka0 s ASN 17 N 0.82 6.99 0.00 2.29 3.84 -0.54 -0.01 114.94 128.33 2ka0 s ASN 17 Ca -0.07 1.21 0.15 0.00 0.21 0.00 0.00 52.86 54.36 2ka0 s ASN 17 Cb -0.11 -2.45 0.92 0.00 -0.55 0.00 0.00 41.25 39.07 2ka0 s ASN 17 CO -0.02 -0.28 1.58 -0.62 -2.79 0.00 0.00 177.10 174.97 2ka0 n GLU 18 N 4.59 0.99 0.03 0.43 1.02 -1.26 -3.80 120.64 122.65 2ka0 n GLU 18 Ca 0.02 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.29 2ka0 n GLU 18 Cb 0.50 -1.24 0.43 0.00 -0.02 0.00 0.00 31.44 31.10 2ka0 n GLU 18 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2ka0 n GLU 19 N -0.74 0.10 -3.85 3.49 0.28 -1.26 -4.52 120.64 114.14 2ka0 n GLU 19 Ca 0.12 0.06 -0.36 0.00 -0.16 0.00 0.00 57.16 56.81 2ka0 n GLU 19 Cb 0.05 -1.60 -0.06 0.00 1.43 0.00 0.00 31.44 31.27 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 -3.05 3.60 0.14 -1.84 2.02 -1.25 -5.02 117.35 111.95 2ka0 s TYR 20 Ca 0.11 0.54 -0.32 0.00 -0.37 0.00 0.00 57.07 57.04 2ka0 s TYR 20 Cb 0.16 -1.95 -0.08 0.00 -0.40 0.00 0.00 41.96 39.69 2ka0 s TYR 20 CO 0.61 0.71 1.55 1.49 -1.57 0.00 0.00 175.55 178.34 2ka0 h GLU 21 N 4.74 -0.31 -0.88 -0.62 4.57 -1.94 -1.70 114.58 118.45 2ka0 h GLU 21 Ca -0.54 0.02 0.18 0.00 -1.18 0.00 0.00 59.36 57.85 2ka0 h GLU 21 Cb 1.22 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.81 2ka0 h GLU 21 CO 0.60 -0.20 0.58 -0.24 -1.18 0.00 0.00 179.01 178.57 2ka0 h VAL 22 N -0.32 0.73 -0.00 0.32 3.04 -1.95 -0.41 116.25 117.66 2ka0 h VAL 22 Ca 0.10 -0.17 -0.25 0.00 -1.01 0.00 0.00 66.70 65.37 2ka0 h VAL 22 Cb 0.57 0.20 0.02 0.00 -2.01 0.00 0.00 31.29 30.07 2ka0 h VAL 22 CO -0.66 0.09 -1.01 0.58 -1.01 0.00 0.00 177.57 175.56 2ka0 h VAL 23 N 0.48 1.32 -0.57 1.51 2.07 -1.60 -1.01 116.25 118.45 2ka0 h VAL 23 Ca 0.45 -2.31 0.07 0.00 0.82 0.00 0.00 66.70 65.73 2ka0 h VAL 23 Cb 1.01 2.39 -0.06 0.00 -1.52 0.00 0.00 31.29 33.11 2ka0 h VAL 23 CO -0.18 0.71 0.26 0.11 0.02 0.00 0.00 177.57 178.48 2ka0 h LYS 24 N 0.35 0.47 -0.60 1.57 1.57 -0.86 -1.52 116.57 117.54 2ka0 h LYS 24 Ca -0.11 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.54 2ka0 h LYS 24 Cb 1.66 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.84 2ka0 h LYS 24 CO 0.19 0.31 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.29 2ka0 h LEU 25 N 0.48 1.06 -1.95 2.94 -0.00 -0.97 -1.93 115.31 114.94 2ka0 h LEU 25 Ca 0.27 -0.31 0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2ka0 h LEU 25 Cb 0.25 -0.29 -0.01 0.00 -0.00 0.00 0.00 40.66 40.61 2ka0 h LEU 25 CO -0.22 1.12 0.09 -0.07 -0.00 0.00 0.00 178.44 179.35 2ka0 h LEU 26 N 0.97 0.06 -1.35 1.67 3.38 -0.83 -2.68 115.31 116.53 2ka0 h LEU 26 Ca 0.17 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2ka0 h LEU 26 Cb 0.59 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2ka0 h LEU 26 CO 0.03 0.04 -0.24 0.50 0.09 0.00 0.00 178.44 178.87 2ka0 h LYS 27 N 0.07 0.00 0.00 1.13 3.11 -0.45 0.65 116.57 121.08 2ka0 h LYS 27 Ca 0.06 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.90 2ka0 h LYS 27 Cb 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.37 2ka0 h LYS 27 CO -0.01 0.24 0.00 0.39 -2.81 0.00 0.00 179.45 177.26 2ka0 n GLU 28 N -3.56 0.07 -0.61 1.90 -0.58 -1.01 -4.14 120.64 112.71 2ka0 n GLU 28 Ca -0.01 0.11 0.06 0.00 -0.42 0.00 0.00 57.16 56.90 2ka0 n GLU 28 Cb 0.38 -1.60 0.13 0.00 -0.57 0.00 0.00 31.44 29.79 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 -1.73 1.02 -4.61 3.49 4.76 0.19 -5.00 118.16 116.27 2ka0 n LYS 29 Ca 0.06 -2.59 -0.24 0.00 -2.87 0.00 0.00 58.31 52.67 2ka0 n LYS 29 Cb 0.33 -1.15 -0.14 0.00 -1.84 0.00 0.00 35.03 32.23 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 -2.15 1.46 0.86 -0.18 1.01 -0.99 -4.04 121.20 117.16 2ka0 s ILE 30 Ca 0.31 -1.04 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 2ka0 s ILE 30 Cb 0.31 -1.27 0.11 0.00 0.01 0.00 0.00 42.46 41.62 2ka0 s ILE 30 CO -0.05 0.20 1.15 -2.16 0.00 0.00 0.00 174.94 174.08 2ka0 s PRO 31 N -0.99 1.42 0.17 2.79 0.04 -1.26 -4.97 135.00 132.20 2ka0 s PRO 31 Ca 0.06 1.55 -0.15 0.00 0.04 0.00 0.00 61.00 62.50 2ka0 s PRO 31 Cb -0.08 -1.77 0.02 0.00 0.04 0.00 0.00 34.50 32.71 2ka0 s PRO 31 CO 0.01 -2.33 0.42 -0.59 0.04 0.00 0.00 177.00 174.55 2ka0 s PHE 32 N -2.53 0.01 0.30 0.56 -0.71 -0.83 -5.01 117.98 109.78 2ka0 s PHE 32 Ca 0.68 -0.36 0.11 0.00 -1.04 0.00 0.00 56.93 56.31 2ka0 s PHE 32 Cb -0.23 0.23 -0.05 0.00 -1.21 0.00 0.00 43.02 41.75 2ka0 s PHE 32 CO 0.55 -0.81 -0.14 -1.21 -1.34 0.00 0.00 175.22 172.27 2ka0 s GLU 33 N -3.88 1.80 0.12 1.99 2.02 -1.26 -0.46 118.70 119.02 2ka0 s GLU 33 Ca 0.10 -1.80 -0.26 0.00 0.02 0.00 0.00 54.97 53.03 2ka0 s GLU 33 Cb 0.01 -1.79 0.08 0.00 0.10 0.00 0.00 34.13 32.53 2ka0 s GLU 33 CO -0.04 0.26 1.04 0.45 0.02 0.00 0.00 175.26 176.99 2ka0 s SER 34 N -3.57 -0.12 -0.18 -0.19 0.15 -1.08 -5.00 113.70 103.71 2ka0 s SER 34 Ca 0.31 -0.39 -0.14 0.00 0.70 0.00 0.00 55.95 56.43 2ka0 s SER 34 Cb -0.02 0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 64.66 2ka0 s SER 34 CO 0.16 -0.79 0.30 -0.69 1.20 0.00 0.00 173.24 173.42 2ka0 s VAL 35 N -2.94 5.29 -1.17 4.45 1.01 -1.26 -2.64 120.40 123.13 2ka0 s VAL 35 Ca 0.14 0.53 -0.13 0.00 0.00 0.00 0.00 61.98 62.52 2ka0 s VAL 35 Cb -0.00 -3.64 0.18 0.00 0.00 0.00 0.00 36.38 32.92 2ka0 s VAL 35 CO 0.01 0.35 1.37 -0.69 0.00 0.00 0.00 175.10 176.14 2ka0 s VAL 36 N 0.77 5.15 0.59 2.92 1.01 -1.25 -4.44 120.40 125.15 2ka0 s VAL 36 Ca 0.16 -2.68 -0.18 0.00 0.00 0.00 0.00 61.98 59.28 2ka0 s VAL 36 Cb -0.13 -4.86 -0.04 0.00 0.00 0.00 0.00 36.38 31.35 2ka0 s VAL 36 CO 0.05 -1.55 1.15 0.20 0.00 0.00 0.00 175.10 174.95 2ka0 s ASN 37 N 2.67 5.38 -0.07 3.32 0.01 -0.34 -3.65 114.94 122.26 2ka0 s ASN 37 Ca 0.40 2.21 0.03 0.00 -0.71 0.00 0.00 52.86 54.79 2ka0 s ASN 37 Cb -0.04 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.05 2ka0 s ASN 37 CO -0.02 -1.46 -0.16 0.42 -1.51 0.00 0.00 177.10 174.38 2ka0 s THR 38 N -1.85 1.40 -0.35 1.60 -4.23 -1.26 -1.67 115.64 109.29 2ka0 s THR 38 Ca 0.73 -0.66 -0.00 0.00 -1.18 0.00 0.00 61.69 60.58 2ka0 s THR 38 Cb -0.25 -1.24 0.12 0.00 1.34 0.00 0.00 72.50 72.47 2ka0 s THR 38 CO 0.32 0.41 0.17 0.86 -0.54 0.00 0.00 174.62 175.84 2ka0 s TRP 39 N 0.41 1.32 -0.35 3.99 -0.00 -1.23 -5.02 118.94 118.07 2ka0 s TRP 39 Ca -0.12 -1.76 -0.26 0.00 -0.00 0.00 0.00 56.10 53.96 2ka0 s TRP 39 Cb -0.15 -1.44 0.04 0.00 -0.00 0.00 0.00 33.47 31.92 2ka0 s TRP 39 CO 0.04 -0.83 0.48 0.41 -0.00 0.00 0.00 176.95 177.05 2ka0 n GLY 40 N 4.35 -0.33 2.25 5.86 0.00 -1.26 -3.14 105.19 112.92 2ka0 n GLY 40 Ca 0.04 0.90 -0.09 0.00 0.00 0.00 0.00 46.02 46.87 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 0.15 -0.64 -4.17 1.61 4.71 -1.26 -4.04 120.64 117.00 2ka0 n GLU 41 Ca -0.03 0.76 -0.11 0.00 -0.01 0.00 0.00 57.16 57.76 2ka0 n GLU 41 Cb 0.58 -4.66 -0.10 0.00 -1.01 0.00 0.00 31.44 26.25 2ka0 n GLU 41 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2ka0 s GLU 42 N -3.03 1.09 0.03 3.49 2.12 -1.19 -1.87 118.70 119.34 2ka0 s GLU 42 Ca 0.00 -1.53 0.04 0.00 0.36 0.00 0.00 54.97 53.83 2ka0 s GLU 42 Cb 0.00 0.26 -0.02 0.00 0.26 0.00 0.00 34.13 34.63 2ka0 s GLU 42 CO 0.00 -0.34 -0.11 0.42 -0.54 0.00 0.00 175.26 174.69 2ka0 s ILE 43 N -4.11 0.85 0.07 -3.70 1.01 -0.60 -3.48 121.20 111.24 2ka0 s ILE 43 Ca 0.32 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.97 2ka0 s ILE 43 Cb 0.07 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.74 2ka0 s ILE 43 CO 0.07 -0.09 0.19 -0.72 0.00 0.00 0.00 174.94 174.40 2ka0 s TYR 44 N -0.89 0.10 0.15 3.97 1.13 -0.67 -1.33 117.35 119.82 2ka0 s TYR 44 Ca -0.02 -0.44 -0.12 0.00 -1.41 0.00 0.00 57.07 55.08 2ka0 s TYR 44 Cb -0.08 -0.04 0.01 0.00 -1.10 0.00 0.00 41.96 40.75 2ka0 s TYR 44 CO 0.01 -0.49 0.34 -0.59 -2.51 0.00 0.00 175.55 172.31 2ka0 s PHE 45 N -3.27 0.11 -0.94 -3.49 -0.71 -1.25 -1.20 117.98 107.24 2ka0 s PHE 45 Ca 0.00 -0.47 -0.17 0.00 -1.04 0.00 0.00 56.93 55.25 2ka0 s PHE 45 Cb 0.02 0.11 0.16 0.00 -1.21 0.00 0.00 43.02 42.11 2ka0 s PHE 45 CO -0.08 -0.73 1.07 -1.54 -1.34 0.00 0.00 175.22 172.61 2ka0 s SER 46 N -2.89 6.74 0.60 1.98 1.04 -1.26 -2.32 113.70 117.58 2ka0 s SER 46 Ca 0.10 -2.37 -0.20 0.00 0.48 0.00 0.00 55.95 53.96 2ka0 s SER 46 Cb 0.02 -2.34 -0.03 0.00 0.10 0.00 0.00 66.02 63.77 2ka0 s SER 46 CO -0.05 -0.88 1.32 0.42 0.98 0.00 0.00 173.24 175.03 2ka0 s THR 47 N 1.78 2.10 -0.69 2.02 -4.23 -0.69 -4.92 115.64 111.01 2ka0 s THR 47 Ca 0.30 0.06 0.26 0.00 -1.18 0.00 0.00 61.69 61.13 2ka0 s THR 47 Cb -0.06 -3.03 0.28 0.00 1.34 0.00 0.00 72.50 71.03 2ka0 s THR 47 CO -0.08 -0.01 1.77 -0.81 -0.54 0.00 0.00 174.62 174.95 2ka0 n PRO 48 N -1.51 0.24 -2.76 3.99 -0.04 -1.26 -4.72 135.00 128.94 2ka0 n PRO 48 Ca 0.13 0.25 -0.32 0.00 -0.04 0.00 0.00 63.50 63.52 2ka0 n PRO 48 Cb 0.47 -1.81 -0.04 0.00 -0.04 0.00 0.00 33.50 32.08 2ka0 n PRO 48 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ka0 s VAL 49 N -3.14 4.63 -0.06 0.52 0.11 -1.26 -5.09 120.40 116.11 2ka0 s VAL 49 Ca 0.10 1.00 -0.02 0.00 -2.93 0.00 0.00 61.98 60.13 2ka0 s VAL 49 Cb 0.12 -3.69 0.03 0.00 -1.53 0.00 0.00 36.38 31.31 2ka0 s VAL 49 CO 0.55 -0.48 0.03 0.20 -3.33 0.00 0.00 175.10 172.07 2ka0 s ASN 50 N -2.82 1.38 0.01 3.54 -0.87 -1.26 -4.89 114.94 110.03 2ka0 s ASN 50 Ca 0.56 -0.01 -0.25 0.00 -1.57 0.00 0.00 52.86 51.59 2ka0 s ASN 50 Cb -0.10 -0.30 0.06 0.00 -0.02 0.00 0.00 41.25 40.89 2ka0 s ASN 50 CO 0.26 -0.22 0.55 0.54 -2.57 0.00 0.00 177.10 175.66 2ka0 s VAL 51 N 2.07 0.02 -0.05 1.60 0.11 -1.26 -5.08 120.40 117.80 2ka0 s VAL 51 Ca 0.05 -0.17 0.09 0.00 -2.93 0.00 0.00 61.98 59.02 2ka0 s VAL 51 Cb -0.12 -0.93 0.16 0.00 -1.53 0.00 0.00 36.38 33.95 2ka0 s VAL 51 CO -0.04 -0.10 1.08 0.00 -3.33 0.00 0.00 175.10 172.71 2ka0 n GLN 52 N 0.69 0.48 -4.17 1.54 3.00 -1.26 -4.53 117.38 113.12 2ka0 n GLN 52 Ca -0.19 -1.71 -0.31 0.00 -0.01 0.00 0.00 57.00 54.78 2ka0 n GLN 52 Cb 0.59 -0.82 -0.08 0.00 0.00 0.00 0.00 30.24 29.93 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 -1.06 2.55 0.05 -1.09 2.20 -1.26 -5.05 119.74 116.07 2ka0 s LYS 53 Ca 0.15 -0.81 -0.01 0.00 -0.36 0.00 0.00 55.97 54.94 2ka0 s LYS 53 Cb 0.15 -2.54 -0.04 0.00 -1.51 0.00 0.00 37.83 33.89 2ka0 s LYS 53 CO -0.01 0.55 -0.03 0.00 -0.36 0.00 0.00 175.35 175.50 2ka0 s MET 54 N -2.16 0.56 -0.13 4.03 0.23 -1.26 -4.91 119.30 115.66 2ka0 s MET 54 Ca 0.24 -1.09 -0.06 0.00 -1.03 0.00 0.00 55.69 53.75 2ka0 s MET 54 Cb -0.12 0.15 -0.05 0.00 -1.53 0.00 0.00 34.83 33.28 2ka0 s MET 54 CO 0.16 -0.09 -0.17 0.39 -2.03 0.00 0.00 175.02 173.29 2ka0 n GLU 55 N 0.44 0.27 -3.36 3.16 -0.58 -1.26 -4.87 120.64 114.44 2ka0 n GLU 55 Ca -0.16 0.12 -0.27 0.00 -0.42 0.00 0.00 57.16 56.43 2ka0 n GLU 55 Cb 0.60 -0.96 -0.08 0.00 -0.57 0.00 0.00 31.44 30.43 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 -3.58 3.79 -4.78 1.62 5.15 -1.26 -5.09 115.26 111.11 2ka0 n ASN 56 Ca -0.25 -3.46 -0.32 0.00 -0.60 0.00 0.00 54.58 49.94 2ka0 n ASN 56 Cb 0.68 -0.66 0.05 0.00 -0.53 0.00 0.00 39.78 39.31 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 -2.57 2.84 0.06 1.20 0.04 -1.26 -1.78 135.00 133.52 2ka0 s PRO 57 Ca 0.41 1.25 -0.06 0.00 0.04 0.00 0.00 61.00 62.64 2ka0 s PRO 57 Cb 0.16 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.72 2ka0 s PRO 57 CO -0.03 -1.20 0.10 -0.98 0.04 0.00 0.00 177.00 174.94 2ka0 s ARG 58 N -4.37 0.70 0.00 4.56 1.04 -0.13 -4.84 118.95 115.91 2ka0 s ARG 58 Ca 0.64 -0.96 0.10 0.00 -1.04 0.00 0.00 55.73 54.47 2ka0 s ARG 58 Cb -0.18 0.27 0.26 0.00 -2.04 0.00 0.00 34.95 33.26 2ka0 s ARG 58 CO 0.45 -0.19 1.19 0.39 -0.04 0.00 0.00 175.30 177.10 2ka0 n GLU 59 N 0.26 2.59 -3.49 3.89 1.02 -1.26 -3.40 120.64 120.25 2ka0 n GLU 59 Ca -0.16 -1.91 -0.13 0.00 -0.02 0.00 0.00 57.16 54.94 2ka0 n GLU 59 Cb 0.61 -1.25 -0.04 0.00 -0.02 0.00 0.00 31.44 30.74 2ka0 n GLU 59 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2ka0 s VAL 60 N -0.98 0.00 0.35 2.62 0.11 -1.26 -4.06 120.40 117.17 2ka0 s VAL 60 Ca 0.21 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.28 2ka0 s VAL 60 Cb 0.11 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 2ka0 s VAL 60 CO 0.15 0.00 0.42 1.33 -3.33 0.00 0.00 175.10 173.66 2ka0 n VAL 61 N 0.26 0.00 -2.19 2.04 0.24 -0.51 -4.97 118.33 113.20 2ka0 n VAL 61 Ca -0.16 -2.08 -0.26 0.00 -2.04 0.00 0.00 64.34 59.81 2ka0 n VAL 61 Cb 0.61 1.17 0.08 0.00 -1.47 0.00 0.00 33.84 34.22 2ka0 n VAL 61 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2ka0 s GLU 62 N -3.03 2.02 0.22 7.34 2.02 -1.26 -4.37 118.70 121.64 2ka0 s GLU 62 Ca 0.34 -0.31 0.20 0.00 0.02 0.00 0.00 54.97 55.22 2ka0 s GLU 62 Cb 0.00 -2.14 0.90 0.00 0.10 0.00 0.00 34.13 32.99 2ka0 s GLU 62 CO 0.24 -1.37 1.60 -0.89 0.02 0.00 0.00 175.26 174.87 2ka0 n ILE 63 N -3.01 1.01 -2.56 -1.63 5.41 -1.26 -3.61 119.36 113.71 2ka0 n ILE 63 Ca 0.09 0.40 -0.16 0.00 1.00 0.00 0.00 62.75 64.08 2ka0 n ILE 63 Cb 0.60 -1.33 0.02 0.00 -0.71 0.00 0.00 39.64 38.22 2ka0 n ILE 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ka0 n GLY 64 N -0.50 3.57 3.66 7.39 0.00 -1.26 -3.17 105.19 114.88 2ka0 n GLY 64 Ca 0.01 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 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 -3.37 3.96 -0.01 1.61 1.11 -1.24 -1.16 116.67 117.57 2ka0 s ASP 65 Ca 0.37 -1.46 0.01 0.00 0.18 0.00 0.00 52.55 51.65 2ka0 s ASP 65 Cb 0.42 -0.12 0.01 0.00 1.07 0.00 0.00 42.92 44.30 2ka0 s ASP 65 CO -0.05 -0.57 -0.02 -0.69 1.18 0.00 0.00 175.17 175.02 2ka0 s VAL 66 N -2.76 0.19 0.36 -1.27 1.01 -0.76 -3.40 120.40 113.78 2ka0 s VAL 66 Ca 0.26 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.23 2ka0 s VAL 66 Cb 0.07 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 36.19 2ka0 s VAL 66 CO 0.13 0.09 0.06 -0.83 0.00 0.00 0.00 175.10 174.55 2ka0 s GLY 67 N 0.28 2.29 -0.03 4.51 0.00 -1.06 -3.24 107.32 110.07 2ka0 s GLY 67 Ca -0.03 -1.81 0.06 0.00 0.00 0.00 0.00 44.72 42.94 2ka0 s GLY 67 CO -0.01 -1.88 -0.21 -0.47 0.00 0.00 0.00 173.10 170.54 2ka0 s TYR 68 N -3.19 1.97 -0.61 1.90 5.04 -1.25 -2.03 117.35 119.18 2ka0 s TYR 68 Ca 0.32 -0.48 0.01 0.00 -2.44 0.00 0.00 57.07 54.48 2ka0 s TYR 68 Cb 0.07 -1.29 0.15 0.00 0.35 0.00 0.00 41.96 41.24 2ka0 s TYR 68 CO 0.15 -0.12 0.39 -0.46 -1.34 0.00 0.00 175.55 174.17 2ka0 s TRP 69 N -0.26 3.35 0.42 4.97 -0.00 0.09 -4.04 118.94 123.48 2ka0 s TRP 69 Ca 0.02 -3.04 0.23 0.00 -0.00 0.00 0.00 56.10 53.31 2ka0 s TRP 69 Cb -0.10 -2.96 1.28 0.00 -0.00 0.00 0.00 33.47 31.69 2ka0 s TRP 69 CO 0.01 -0.75 2.04 -1.00 -0.00 0.00 0.00 176.95 177.25 2ka0 h PRO 70 N 6.49 0.00 -0.01 5.86 0.13 -1.83 -1.96 132.00 140.68 2ka0 h PRO 70 Ca -0.01 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.94 2ka0 h PRO 70 Cb 0.89 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 2ka0 h PRO 70 CO 0.71 0.15 -0.79 -1.00 -0.23 0.00 0.00 178.00 176.84 2ka0 h PRO 71 N 0.00 0.15 -0.19 1.56 0.13 -1.95 -3.27 132.00 128.43 2ka0 h PRO 71 Ca -0.00 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2ka0 h PRO 71 Cb 0.34 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.51 2ka0 h PRO 71 CO 0.02 0.87 0.00 0.41 -0.23 0.00 0.00 178.00 179.07 2ka0 n GLY 72 N 0.70 3.48 3.91 1.56 0.00 -1.22 -5.02 105.19 108.60 2ka0 n GLY 72 Ca -0.03 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.28 -0.73 -4.18 1.61 5.02 -0.78 -4.88 118.16 113.94 2ka0 n LYS 73 Ca 0.12 0.24 -0.11 0.00 -2.02 0.00 0.00 58.31 56.54 2ka0 n LYS 73 Cb 0.54 -3.27 -0.10 0.00 -0.02 0.00 0.00 35.03 32.19 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 -3.52 1.05 0.30 7.82 0.00 -0.94 -1.70 121.76 124.76 2ka0 s ALA 74 Ca 0.47 -1.61 0.07 0.00 0.00 0.00 0.00 51.96 50.88 2ka0 s ALA 74 Cb -0.22 1.25 -0.03 0.00 0.00 0.00 0.00 23.12 24.13 2ka0 s ALA 74 CO 0.92 -0.57 0.32 -1.17 0.00 0.00 0.00 175.76 175.26 2ka0 s LEU 75 N -3.13 3.84 -0.01 0.00 0.20 -0.98 -0.73 118.68 117.87 2ka0 s LEU 75 Ca 0.35 -0.28 0.02 0.00 0.69 0.00 0.00 54.13 54.90 2ka0 s LEU 75 Cb 0.07 -2.46 0.00 0.00 -0.43 0.00 0.00 46.19 43.37 2ka0 s LEU 75 CO 0.09 -0.25 -0.06 0.00 -0.29 0.00 0.00 176.35 175.84 2ka0 s LEU 77 N 0.07 3.26 0.27 0.00 1.43 -0.44 -2.55 118.68 120.72 2ka0 s LEU 77 Ca -0.01 -1.07 -0.13 0.00 -1.03 0.00 0.00 54.13 51.90 2ka0 s LEU 77 Cb -0.05 -1.62 -0.08 0.00 0.03 0.00 0.00 46.19 44.47 2ka0 s LEU 77 CO -0.00 -0.15 0.64 -0.36 0.23 0.00 0.00 176.35 176.71 2ka0 s PHE 78 N 1.24 3.41 0.00 0.29 0.08 -1.22 -1.56 117.98 120.22 2ka0 s PHE 78 Ca -0.03 1.06 0.00 0.00 0.12 0.00 0.00 56.93 58.08 2ka0 s PHE 78 Cb -0.18 -2.41 0.00 0.00 -0.57 0.00 0.00 43.02 39.87 2ka0 s PHE 78 CO -0.05 0.19 0.03 1.97 -0.10 0.00 0.00 175.22 177.26 2ka0 n PHE 79 N -0.20 0.00 -3.70 0.36 -1.74 -1.03 -4.41 117.46 106.73 2ka0 n PHE 79 Ca 0.02 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.90 2ka0 n PHE 79 Cb 0.53 0.14 0.01 0.00 1.52 0.00 0.00 39.48 41.68 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 0.00 0.87 3.56 4.97 0.00 -0.78 -5.00 105.19 108.80 2ka0 n GLY 80 Ca 0.00 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.02 3.05 0.91 1.61 2.36 -1.26 -4.82 119.74 119.56 2ka0 s LYS 81 Ca 0.12 0.16 -0.12 0.00 -2.55 0.00 0.00 55.97 53.59 2ka0 s LYS 81 Cb -0.01 -4.23 0.13 0.00 -1.05 0.00 0.00 37.83 32.67 2ka0 s LYS 81 CO 0.02 -2.27 1.09 0.95 1.55 0.00 0.00 175.35 176.69 2ka0 s THR 82 N 6.78 2.62 -2.00 3.43 -4.23 -1.26 -4.77 115.64 116.20 2ka0 s THR 82 Ca 0.48 0.20 0.11 0.00 -1.18 0.00 0.00 61.69 61.31 2ka0 s THR 82 Cb -0.10 -2.66 0.33 0.00 1.34 0.00 0.00 72.50 71.40 2ka0 s THR 82 CO 0.19 -0.26 1.33 -0.81 -0.54 0.00 0.00 174.62 174.52 2ka0 n PRO 83 N -3.92 0.86 -3.32 3.99 -0.04 -1.26 -4.00 135.00 127.30 2ka0 n PRO 83 Ca 0.07 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.27 2ka0 n PRO 83 Cb 0.55 -1.21 -0.08 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.71 1.09 -2.53 0.54 1.56 -1.26 -5.06 117.12 110.75 2ka0 n MET 84 Ca 0.09 -3.61 -0.01 0.00 -0.27 0.00 0.00 57.70 53.90 2ka0 n MET 84 Cb 0.04 -1.59 0.01 0.00 2.15 0.00 0.00 33.22 33.83 2ka0 n MET 84 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 2ka0 n SER 85 N 1.58 -0.67 0.09 6.12 7.64 -1.26 -4.54 113.62 122.57 2ka0 n SER 85 Ca 0.24 -1.31 0.00 0.00 1.01 0.00 0.00 58.87 58.81 2ka0 n SER 85 Cb 0.48 1.08 0.00 0.00 -1.01 0.00 0.00 64.21 64.77 2ka0 n SER 85 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2ka0 n ASP 86 N -0.79 -1.36 0.03 6.43 -0.08 -1.26 -4.97 116.55 114.56 2ka0 n ASP 86 Ca -0.00 0.32 -0.20 0.00 -1.51 0.00 0.00 54.79 53.40 2ka0 n ASP 86 Cb 0.24 1.52 -0.14 0.00 2.34 0.00 0.00 41.12 45.08 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 0.42 -5.05 1.67 3.58 -2.01 -3.49 116.42 111.54 2ka0 h ASP 87 Ca 0.00 -0.93 -0.14 0.00 0.42 0.00 0.00 57.03 56.39 2ka0 h ASP 87 Cb 0.00 -0.14 -0.19 0.00 1.72 0.00 0.00 39.33 40.72 2ka0 h ASP 87 CO 0.00 1.43 -0.55 -1.59 -2.88 0.00 0.00 179.24 175.64 2ka0 s LYS 88 N -2.43 0.51 -1.23 0.28 -2.85 -1.26 -5.07 119.74 107.69 2ka0 s LYS 88 Ca -0.15 -0.65 -0.18 0.00 -1.00 0.00 0.00 55.97 53.98 2ka0 s LYS 88 Cb 0.02 0.20 0.09 0.00 -2.06 0.00 0.00 37.83 36.07 2ka0 s LYS 88 CO 0.81 -0.12 1.63 0.42 0.10 0.00 0.00 175.35 178.19 2ka0 s ILE 89 N -2.13 4.26 0.35 3.79 1.01 -1.26 -4.76 121.20 122.46 2ka0 s ILE 89 Ca -0.09 -1.86 -0.26 0.00 0.00 0.00 0.00 60.65 58.43 2ka0 s ILE 89 Cb -0.04 -5.12 -0.09 0.00 0.01 0.00 0.00 42.46 37.22 2ka0 s ILE 89 CO -0.02 -1.93 1.06 -1.10 0.00 0.00 0.00 174.94 172.94 2ka0 s GLN 90 N 3.85 4.37 0.95 2.79 -0.21 -1.26 -1.42 119.66 128.72 2ka0 s GLN 90 Ca 0.50 1.62 -0.15 0.00 0.02 0.00 0.00 55.36 57.36 2ka0 s GLN 90 Cb 0.02 -2.82 0.17 0.00 1.00 0.00 0.00 33.01 31.38 2ka0 s GLN 90 CO 0.04 0.02 1.23 -1.25 -2.12 0.00 0.00 175.29 173.21 2ka0 s PRO 91 N -2.04 0.82 0.39 2.91 0.04 -1.26 -4.75 135.00 131.11 2ka0 s PRO 91 Ca 0.52 -0.12 0.12 0.00 0.04 0.00 0.00 61.00 61.56 2ka0 s PRO 91 Cb -0.26 -1.84 0.79 0.00 0.04 0.00 0.00 34.50 33.23 2ka0 s PRO 91 CO 0.33 -2.34 1.88 0.00 0.04 0.00 0.00 177.00 176.91 2ka0 h ALA 92 N -1.59 1.47 -2.74 8.56 0.00 -1.97 -3.46 119.26 119.54 2ka0 h ALA 92 Ca -0.46 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.06 2ka0 h ALA 92 Cb 1.28 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 2ka0 h ALA 92 CO 0.48 0.39 -0.29 -1.12 0.00 0.00 0.00 179.25 178.71 2ka0 s SER 93 N -6.94 -0.00 -1.17 0.00 0.01 -1.26 -5.06 113.70 99.27 2ka0 s SER 93 Ca -0.04 -1.07 -0.23 0.00 1.31 0.00 0.00 55.95 55.93 2ka0 s SER 93 Cb 0.15 0.51 -0.09 0.00 0.21 0.00 0.00 66.02 66.80 2ka0 s SER 93 CO 0.72 -1.03 1.94 0.00 0.41 0.00 0.00 173.24 175.28 2ka0 s ALA 94 N -4.06 1.78 0.86 1.44 0.00 -1.26 -4.89 121.76 115.63 2ka0 s ALA 94 Ca 0.27 -2.11 -0.12 0.00 0.00 0.00 0.00 51.96 50.00 2ka0 s ALA 94 Cb 0.02 -4.67 0.11 0.00 0.00 0.00 0.00 23.12 18.58 2ka0 s ALA 94 CO 0.09 -5.23 1.16 0.14 0.00 0.00 0.00 175.76 171.93 2ka0 s VAL 95 N 11.04 2.00 0.39 0.00 -7.23 -1.22 -4.61 120.40 120.77 2ka0 s VAL 95 Ca 0.69 0.00 -0.14 0.00 -1.81 0.00 0.00 61.98 60.71 2ka0 s VAL 95 Cb -0.01 -2.88 -0.08 0.00 0.56 0.00 0.00 36.38 33.97 2ka0 s VAL 95 CO 0.13 0.00 0.81 0.54 -0.31 0.00 0.00 175.10 176.26 2ka0 s ASN 96 N -4.32 6.69 -0.41 4.85 2.20 -1.26 -0.96 114.94 121.74 2ka0 s ASN 96 Ca 0.63 1.32 -0.26 0.00 -0.94 0.00 0.00 52.86 53.61 2ka0 s ASN 96 Cb -0.13 -2.39 0.02 0.00 -2.00 0.00 0.00 41.25 36.75 2ka0 s ASN 96 CO 0.51 -0.34 0.92 -0.69 -2.94 0.00 0.00 177.10 174.56 2ka0 s VAL 97 N -2.22 4.54 0.00 3.54 1.01 -0.74 -3.91 120.40 122.61 2ka0 s VAL 97 Ca 0.55 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.51 2ka0 s VAL 97 Cb -0.10 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 31.90 2ka0 s VAL 97 CO 0.23 -0.67 0.00 2.30 0.00 0.00 0.00 175.10 176.96 2ka0 n ILE 98 N 6.18 0.00 -4.25 2.22 -5.35 -1.20 -4.77 119.36 112.19 2ka0 n ILE 98 Ca 0.07 -0.07 -0.15 0.00 -0.27 0.00 0.00 62.75 62.32 2ka0 n ILE 98 Cb 0.48 0.52 -0.10 0.00 -1.74 0.00 0.00 39.64 38.81 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 -1.55 1.71 0.00 3.28 0.00 -1.22 -1.47 107.32 108.07 2ka0 s GLY 99 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.93 2ka0 s GLY 99 CO 0.00 -1.47 -0.00 1.25 0.00 0.00 0.00 173.10 172.88 2ka0 s LYS 100 N -3.98 0.03 -0.97 2.90 2.47 -0.15 -1.83 119.74 118.22 2ka0 s LYS 100 Ca 0.39 -0.03 -0.24 0.00 -1.56 0.00 0.00 55.97 54.53 2ka0 s LYS 100 Cb 0.06 -0.01 0.02 0.00 -1.46 0.00 0.00 37.83 36.43 2ka0 s LYS 100 CO 0.15 0.00 1.62 0.42 0.16 0.00 0.00 175.35 177.71 2ka0 s ILE 101 N -0.06 3.75 0.16 5.43 1.01 -0.31 -1.46 121.20 129.72 2ka0 s ILE 101 Ca -0.01 -0.58 -0.00 0.00 0.00 0.00 0.00 60.65 60.06 2ka0 s ILE 101 Cb -0.00 -4.68 -0.14 0.00 0.01 0.00 0.00 42.46 37.64 2ka0 s ILE 101 CO -0.00 -1.58 1.38 -0.37 0.00 0.00 0.00 174.94 174.37 2ka0 h VAL 102 N 6.94 1.43 -3.72 2.92 -1.51 -1.75 -3.44 116.25 117.12 2ka0 h VAL 102 Ca 0.15 -2.42 -0.10 0.00 -1.23 0.00 0.00 66.70 63.10 2ka0 h VAL 102 Cb 1.01 2.34 -0.15 0.00 -2.13 0.00 0.00 31.29 32.36 2ka0 h VAL 102 CO 1.35 0.72 -0.39 -1.61 -1.23 0.00 0.00 177.57 176.40 2ka0 s GLU 103 N -3.35 0.77 -0.24 5.19 0.41 -0.53 -4.99 118.70 115.95 2ka0 s GLU 103 Ca -0.04 -0.83 -0.00 0.00 -0.41 0.00 0.00 54.97 53.69 2ka0 s GLU 103 Cb 0.10 0.31 0.00 0.00 -1.78 0.00 0.00 34.13 32.76 2ka0 s GLU 103 CO 0.84 -0.23 0.23 0.41 -0.49 0.00 0.00 175.26 176.02 2ka0 n GLY 104 N 0.27 -0.62 0.36 -1.39 0.00 -1.26 -1.11 105.19 101.44 2ka0 n GLY 104 Ca -0.17 0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 2ka0 n GLY 104 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ka0 n LEU 105 N -1.21 1.52 0.23 0.99 7.94 -1.26 -4.61 117.00 120.59 2ka0 n LEU 105 Ca 0.00 0.26 0.07 0.00 -1.11 0.00 0.00 56.01 55.23 2ka0 n LEU 105 Cb 0.48 -0.61 0.53 0.00 0.53 0.00 0.00 43.42 44.35 2ka0 n LEU 105 CO 0.17 0.18 0.88 -0.33 -1.11 0.00 0.00 177.39 177.19 2ka0 h GLU 106 N -0.73 0.00 0.00 1.96 4.39 -1.97 -2.01 114.58 116.22 2ka0 h GLU 106 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 2ka0 h GLU 106 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2ka0 h GLU 106 CO -0.22 0.20 0.00 -0.25 -1.16 0.00 0.00 179.01 177.58 2ka0 n ASP 107 N -4.09 0.00 0.15 1.42 8.00 -1.26 -3.36 116.55 117.40 2ka0 n ASP 107 Ca -0.02 0.37 0.03 0.00 0.71 0.00 0.00 54.79 55.87 2ka0 n ASP 107 Cb 0.28 -0.44 0.12 0.00 -0.02 0.00 0.00 41.12 41.06 2ka0 n ASP 107 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2ka0 h LEU 108 N 0.00 0.00 0.00 0.64 -0.00 -1.65 -3.31 115.31 110.99 2ka0 h LEU 108 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2ka0 h LEU 108 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 2ka0 h LEU 108 CO 0.00 0.51 0.00 0.29 -0.00 0.00 0.00 178.44 179.24 2ka0 n LYS 109 N -3.34 0.82 0.00 1.13 4.01 -1.21 -2.48 118.16 117.08 2ka0 n LYS 109 Ca 0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 2ka0 n LYS 109 Cb 0.68 -1.20 0.00 0.00 -0.51 0.00 0.00 35.03 34.00 2ka0 n LYS 109 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 2ka0 n LYS 110 N -0.70 1.53 -2.78 1.97 2.85 -1.24 -5.05 118.16 114.73 2ka0 n LYS 110 Ca 0.08 -1.01 -0.29 0.00 -1.05 0.00 0.00 58.31 56.04 2ka0 n LYS 110 Cb 0.04 -0.76 -0.02 0.00 -0.65 0.00 0.00 35.03 33.64 2ka0 n LYS 110 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2ka0 s ILE 111 N -0.51 4.87 0.00 0.58 -1.09 -1.04 -4.80 121.20 119.21 2ka0 s ILE 111 Ca 0.00 0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.78 2ka0 s ILE 111 Cb 0.00 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 2ka0 s ILE 111 CO 0.00 -0.67 0.00 0.29 -1.23 0.00 0.00 174.94 173.33 2ka0 n LYS 112 N -1.76 2.85 -0.04 2.79 4.76 -1.26 -5.03 118.16 120.48 2ka0 n LYS 112 Ca 0.01 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.54 2ka0 n LYS 112 Cb 0.55 0.00 0.42 0.00 -1.84 0.00 0.00 35.03 34.15 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 -0.65 0.67 -2.71 4.39 2.03 -1.26 -4.49 116.55 114.54 2ka0 n ASP 113 Ca 0.00 -1.60 -0.03 0.00 0.52 0.00 0.00 54.79 53.68 2ka0 n ASP 113 Cb 0.00 -0.05 0.03 0.00 -0.72 0.00 0.00 41.12 40.38 2ka0 n ASP 113 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2ka0 s GLY 114 N -1.49 -1.74 -0.14 0.27 0.00 -1.24 -3.94 107.32 99.03 2ka0 s GLY 114 Ca 0.27 0.40 0.16 0.00 0.00 0.00 0.00 44.72 45.54 2ka0 s GLY 114 CO 0.21 4.15 1.16 1.18 0.00 0.00 0.00 173.10 179.80 2ka0 n GLU 115 N 2.77 1.25 -3.23 2.90 1.02 -1.26 -4.98 120.64 119.10 2ka0 n GLU 115 Ca 0.13 -2.64 -0.17 0.00 -0.02 0.00 0.00 57.16 54.46 2ka0 n GLU 115 Cb 0.63 -1.44 0.02 0.00 -0.02 0.00 0.00 31.44 30.62 2ka0 n GLU 115 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2ka0 n LYS 116 N -1.25 -1.53 -2.53 3.49 5.02 -1.26 -2.12 118.16 117.99 2ka0 n LYS 116 Ca 0.16 1.41 -0.42 0.00 -2.02 0.00 0.00 58.31 57.43 2ka0 n LYS 116 Cb 0.66 -2.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.23 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 -1.43 4.36 -0.40 -0.18 0.11 -1.08 -4.48 120.40 117.29 2ka0 s VAL 117 Ca 0.18 1.69 -0.11 0.00 -2.93 0.00 0.00 61.98 60.81 2ka0 s VAL 117 Cb -0.02 -4.08 0.05 0.00 -1.53 0.00 0.00 36.38 30.79 2ka0 s VAL 117 CO 0.52 0.10 0.24 0.00 -3.33 0.00 0.00 175.10 172.64 2ka0 s ALA 118 N 1.28 3.31 -0.04 1.54 0.00 0.63 -2.62 121.76 125.86 2ka0 s ALA 118 Ca 0.56 -1.90 -0.30 0.00 0.00 0.00 0.00 51.96 50.31 2ka0 s ALA 118 Cb -0.26 -2.66 -0.03 0.00 0.00 0.00 0.00 23.12 20.17 2ka0 s ALA 118 CO 0.27 -1.51 1.16 0.08 0.00 0.00 0.00 175.76 175.76 2ka0 s VAL 119 N 1.52 4.32 0.24 0.00 1.01 0.39 -1.55 120.40 126.33 2ka0 s VAL 119 Ca 0.02 1.65 0.01 0.00 0.00 0.00 0.00 61.98 63.66 2ka0 s VAL 119 Cb -0.21 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 2ka0 s VAL 119 CO 0.05 0.03 0.10 -0.13 0.00 0.00 0.00 175.10 175.15 2ka0 s ARG 120 N 1.89 1.33 0.00 2.72 0.52 0.16 -1.96 118.95 123.62 2ka0 s ARG 120 Ca 0.55 -1.71 0.27 0.00 -0.52 0.00 0.00 55.73 54.32 2ka0 s ARG 120 Cb -0.25 -0.12 1.44 0.00 0.52 0.00 0.00 34.95 36.55 2ka0 s ARG 120 CO 0.23 -0.31 1.93 1.19 0.02 0.00 0.00 175.30 178.36 2ka0 n PHE 121 N -0.40 0.00 -3.50 -0.53 3.72 -1.26 -0.53 117.46 114.96 2ka0 n PHE 121 Ca 0.00 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.16 2ka0 n PHE 121 Cb 0.66 -0.19 0.06 0.00 -0.94 0.00 0.00 39.48 39.08 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 -1.19 -1.23 -0.63 4.37 0.00 -1.26 -3.73 120.51 116.84 2ka0 n ALA 122 Ca 0.15 0.36 -0.11 0.00 0.00 0.00 0.00 53.44 53.84 2ka0 n ALA 122 Cb 0.17 -5.02 -0.08 0.00 0.00 0.00 0.00 19.45 14.52 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 -2.88 3.60 0.00 0.00 7.64 -1.26 -4.92 113.62 115.80 2ka0 n SER 123 Ca -0.01 -2.14 0.00 0.00 1.01 0.00 0.00 58.87 57.72 2ka0 n SER 123 Cb 0.57 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 2ka0 n SER 123 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83