#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2c s ALA 2 N 0.00 -1.44 -0.39 3.04 0.00 -1.26 -5.11 121.76 116.60 2k2c s ALA 2 Ca 0.00 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.29 2k2c s ALA 2 Cb 0.00 -2.19 0.13 0.00 0.00 0.00 0.00 23.12 21.06 2k2c s ALA 2 CO 0.00 -1.80 0.20 0.00 0.00 0.00 0.00 175.76 174.16 2k2c s ALA 3 N 2.53 1.75 -0.29 0.00 0.00 -1.26 -5.08 121.76 119.41 2k2c s ALA 3 Ca 0.10 -2.22 -0.16 0.00 0.00 0.00 0.00 51.96 49.69 2k2c s ALA 3 Cb -0.12 -1.77 0.12 0.00 0.00 0.00 0.00 23.12 21.36 2k2c s ALA 3 CO -0.28 -1.98 0.87 -0.08 0.00 0.00 0.00 175.76 174.30 2k2c s THR 4 N 0.81 -0.00 0.53 0.00 -1.32 -1.26 -5.19 115.64 109.20 2k2c s THR 4 Ca 0.16 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.72 2k2c s THR 4 Cb -0.22 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.82 2k2c s THR 4 CO -0.06 0.00 0.65 0.00 -2.21 0.00 0.00 174.62 173.00 2k2c s ALA 5 N 1.46 4.58 -0.09 11.08 0.00 -1.26 -5.14 121.76 132.39 2k2c s ALA 5 Ca -0.09 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 49.98 2k2c s ALA 5 Cb -0.04 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.77 2k2c s ALA 5 CO -0.17 -0.63 -0.09 -0.98 0.00 0.00 0.00 175.76 173.89 2k2c s ARG 6 N -4.50 1.53 -0.28 0.00 3.03 -1.26 -5.13 118.95 112.34 2k2c s ARG 6 Ca 0.55 -0.29 -0.17 0.00 2.03 0.00 0.00 55.73 57.85 2k2c s ARG 6 Cb -0.06 -1.48 0.09 0.00 -1.03 0.00 0.00 34.95 32.47 2k2c s ARG 6 CO 0.34 -0.17 0.75 -2.00 -1.13 0.00 0.00 175.30 173.09 2k2c s GLU 7 N 1.35 0.65 -0.06 3.89 2.56 -1.26 -5.18 118.70 120.65 2k2c s GLU 7 Ca -0.02 1.10 -0.29 0.00 0.00 0.00 0.00 54.97 55.76 2k2c s GLU 7 Cb -0.14 0.14 0.10 0.00 2.00 0.00 0.00 34.13 36.24 2k2c s GLU 7 CO -0.04 -0.13 0.85 0.34 -0.56 0.00 0.00 175.26 175.71 2k2c s ASP 8 N 1.50 -0.46 -0.21 -1.70 2.15 -1.26 -5.09 116.67 111.59 2k2c s ASP 8 Ca -0.09 0.34 0.22 0.00 0.43 0.00 0.00 52.55 53.46 2k2c s ASP 8 Cb -0.05 0.42 0.49 0.00 -0.30 0.00 0.00 42.92 43.48 2k2c s ASP 8 CO -0.18 -0.55 1.13 0.61 -0.17 0.00 0.00 175.17 176.02 2k2c n GLY 9 N 0.42 2.02 3.57 2.66 0.00 -1.26 -5.01 105.19 107.59 2k2c n GLY 9 Ca -0.13 -1.14 -0.40 0.00 0.00 0.00 0.00 46.02 44.35 2k2c n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2c s ALA 10 N -3.05 2.87 -0.33 4.61 0.00 -1.26 -4.82 121.76 119.78 2k2c s ALA 10 Ca 0.30 -2.52 0.05 0.00 0.00 0.00 0.00 51.96 49.79 2k2c s ALA 10 Cb 0.34 -4.60 0.18 0.00 0.00 0.00 0.00 23.12 19.04 2k2c s ALA 10 CO -0.06 -3.66 0.54 -0.08 0.00 0.00 0.00 175.76 172.50 2k2c s THR 11 N 5.36 -0.85 0.15 0.00 -1.32 -1.26 -5.03 115.64 112.69 2k2c s THR 11 Ca 0.53 -0.17 -0.06 0.00 -1.21 0.00 0.00 61.69 60.79 2k2c s THR 11 Cb 0.01 -0.70 -0.12 0.00 -1.51 0.00 0.00 72.50 70.19 2k2c s THR 11 CO 0.01 -0.13 1.40 1.23 -2.21 0.00 0.00 174.62 174.92 2k2c h GLY 12 N 7.68 0.62 0.00 6.08 0.00 -2.06 -3.47 103.07 111.91 2k2c h GLY 12 Ca -0.01 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.47 2k2c h GLY 12 CO 0.17 0.76 0.00 1.18 0.00 0.00 0.00 176.54 178.65 2k2c n GLU 13 N -3.88 0.00 -1.99 4.80 1.02 -1.26 -4.85 120.64 114.48 2k2c n GLU 13 Ca -0.05 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.66 2k2c n GLU 13 Cb 0.71 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.10 2k2c n GLU 13 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2k2c s GLU 14 N 0.00 4.18 -0.22 3.49 2.56 -1.26 -4.89 118.70 122.56 2k2c s GLU 14 Ca 0.00 2.22 -0.02 0.00 0.00 0.00 0.00 54.97 57.17 2k2c s GLU 14 Cb 0.00 -3.99 -0.13 0.00 2.00 0.00 0.00 34.13 32.02 2k2c s GLU 14 CO 0.00 -0.85 -0.22 0.54 -0.56 0.00 0.00 175.26 174.18 2k2c n ARG 15 N 7.11 0.51 0.00 4.30 1.74 -1.26 -4.83 116.66 124.24 2k2c n ARG 15 Ca 0.17 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 2k2c n ARG 15 Cb 0.43 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 2k2c n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k2c n GLY 16 N 2.24 1.55 2.01 -0.13 0.00 -1.26 -4.25 105.19 105.36 2k2c n GLY 16 Ca -0.39 0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2k2c n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k2c n GLN 17 N 0.00 0.00 -4.39 1.61 -0.00 -1.26 -5.11 117.38 108.23 2k2c n GLN 17 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.00 56.80 2k2c n GLN 17 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 30.24 30.09 2k2c n GLN 17 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2k2c s ARG 18 N -1.07 0.98 0.00 2.61 3.00 -1.26 -5.03 118.95 118.17 2k2c s ARG 18 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 55.73 55.43 2k2c s ARG 18 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 34.95 34.04 2k2c s ARG 18 CO 0.00 0.11 0.00 0.41 0.00 0.00 0.00 175.30 175.82 2k2c n GLY 19 N 3.32 0.89 3.50 -3.53 0.00 -0.92 -2.34 105.19 106.11 2k2c n GLY 19 Ca -0.18 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.67 2k2c n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2c h GLU 21 N 2.00 0.00 0.08 0.00 -0.00 -1.88 -2.67 114.58 112.11 2k2c h GLU 21 Ca -0.31 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.05 2k2c h GLU 21 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.04 2k2c h GLU 21 CO 0.35 0.00 -0.04 0.45 -0.00 0.00 0.00 179.01 179.78 2k2c h HIS 22 N 0.00 -0.10 -3.38 2.06 3.86 -1.99 -3.46 115.15 112.14 2k2c h HIS 22 Ca -0.00 -0.00 -0.43 0.00 -1.16 0.00 0.00 60.37 58.77 2k2c h HIS 22 Cb 0.20 0.03 -0.35 0.00 1.06 0.00 0.00 27.41 28.35 2k2c h HIS 22 CO 0.00 0.44 -0.78 0.71 0.86 0.00 0.00 177.93 179.16 2k2c s TYR 23 N -3.61 0.85 -0.80 2.45 2.02 -1.01 -5.10 117.35 112.14 2k2c s TYR 23 Ca -0.15 -0.27 -0.18 0.00 -0.37 0.00 0.00 57.07 56.10 2k2c s TYR 23 Cb 0.00 -0.78 0.14 0.00 -0.40 0.00 0.00 41.96 40.92 2k2c s TYR 23 CO 0.59 -0.26 0.93 -0.51 -1.57 0.00 0.00 175.55 174.73 2k2c s ASP 24 N 1.23 6.51 -0.01 2.29 1.01 -1.25 -1.68 116.67 124.77 2k2c s ASP 24 Ca -0.06 -1.94 -0.10 0.00 0.71 0.00 0.00 52.55 51.16 2k2c s ASP 24 Cb -0.14 -2.34 0.01 0.00 1.01 0.00 0.00 42.92 41.47 2k2c s ASP 24 CO -0.02 -1.00 0.20 0.00 0.21 0.00 0.00 175.17 174.56 2k2c s ARG 25 N 2.26 0.52 -0.08 8.23 1.70 -0.99 -2.65 118.95 127.95 2k2c s ARG 25 Ca 0.23 -0.27 0.03 0.00 -0.47 0.00 0.00 55.73 55.25 2k2c s ARG 25 Cb -0.12 0.22 0.20 0.00 -0.57 0.00 0.00 34.95 34.68 2k2c s ARG 25 CO -0.04 -0.13 0.96 0.41 -1.08 0.00 0.00 175.30 175.42 2k2c n GLY 26 N 1.54 2.13 3.11 3.88 0.00 -0.44 -2.16 105.19 113.25 2k2c n GLY 26 Ca -0.21 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 2k2c n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2c s LEU 28 N 0.05 4.32 -0.27 0.00 1.43 -0.75 -4.70 118.68 118.77 2k2c s LEU 28 Ca -0.01 0.47 -0.28 0.00 -1.03 0.00 0.00 54.13 53.28 2k2c s LEU 28 Cb -0.02 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 2k2c s LEU 28 CO 0.00 0.27 1.88 -0.76 0.23 0.00 0.00 176.35 177.97 2k2c s LEU 29 N -0.32 3.58 -0.38 1.79 1.43 0.10 -1.86 118.68 123.03 2k2c s LEU 29 Ca 0.14 1.55 -0.29 0.00 -1.03 0.00 0.00 54.13 54.51 2k2c s LEU 29 Cb -0.13 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.57 2k2c s LEU 29 CO 0.03 -1.68 1.46 -0.75 0.23 0.00 0.00 176.35 175.64 2k2c s LYS 30 N 5.64 3.60 -0.30 1.70 2.20 -0.62 -1.85 119.74 130.11 2k2c s LYS 30 Ca 0.84 1.08 -0.28 0.00 -0.36 0.00 0.00 55.97 57.25 2k2c s LYS 30 Cb -0.26 -4.03 -0.03 0.00 -1.51 0.00 0.00 37.83 32.00 2k2c s LYS 30 CO 0.34 -1.53 1.93 0.00 -0.36 0.00 0.00 175.35 175.73 2k2c s ALA 31 N 5.46 2.80 0.22 3.13 0.00 0.49 -4.28 121.76 129.57 2k2c s ALA 31 Ca 0.64 0.39 0.28 0.00 0.00 0.00 0.00 51.96 53.27 2k2c s ALA 31 Cb -0.16 -4.04 1.24 0.00 0.00 0.00 0.00 23.12 20.16 2k2c s ALA 31 CO 0.31 -2.73 1.95 -1.00 0.00 0.00 0.00 175.76 174.30 2k2c h PRO 32 N 13.65 0.00 0.00 0.00 0.13 -1.87 0.33 132.00 144.24 2k2c h PRO 32 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2k2c h PRO 32 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2k2c h PRO 32 CO 1.02 0.13 0.00 0.00 -0.23 0.00 0.00 178.00 178.91 2k2c n ASP 35 N -0.18 -5.16 -4.92 0.00 8.00 0.11 -4.99 116.55 109.41 2k2c n ASP 35 Ca 0.00 0.41 -0.26 0.00 0.71 0.00 0.00 54.79 55.66 2k2c n ASP 35 Cb 0.04 -4.36 0.01 0.00 -0.02 0.00 0.00 41.12 36.79 2k2c n ASP 35 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2k2c s LYS 36 N -3.39 3.25 -0.26 -1.24 -0.14 -1.14 -4.84 119.74 111.97 2k2c s LYS 36 Ca 0.00 -0.08 0.01 0.00 -1.36 0.00 0.00 55.97 54.55 2k2c s LYS 36 Cb 0.00 -2.42 0.07 0.00 -1.68 0.00 0.00 37.83 33.80 2k2c s LYS 36 CO 0.00 -0.32 -0.03 -0.51 -0.76 0.00 0.00 175.35 173.73 2k2c s LEU 37 N -4.72 3.02 -0.03 3.17 2.01 -1.26 -0.38 118.68 120.49 2k2c s LEU 37 Ca 0.49 -1.42 0.01 0.00 0.01 0.00 0.00 54.13 53.22 2k2c s LEU 37 Cb -0.10 -1.27 0.02 0.00 0.01 0.00 0.00 46.19 44.85 2k2c s LEU 37 CO 0.42 -0.27 -0.02 -0.31 1.01 0.00 0.00 176.35 177.19 2k2c s TYR 38 N 1.30 0.39 0.38 0.29 2.02 -0.77 -4.92 117.35 116.04 2k2c s TYR 38 Ca -0.02 -0.05 0.12 0.00 -0.37 0.00 0.00 57.07 56.75 2k2c s TYR 38 Cb -0.19 -0.41 0.92 0.00 -0.40 0.00 0.00 41.96 41.88 2k2c s TYR 38 CO -0.08 -0.11 1.86 1.15 -1.57 0.00 0.00 175.55 176.79 2k2c h THR 39 N 5.97 0.76 -4.54 -0.71 2.02 -1.84 0.29 112.91 114.86 2k2c h THR 39 Ca -0.39 -0.20 -0.67 0.00 0.77 0.00 0.00 66.41 65.93 2k2c h THR 39 Cb 1.15 0.13 -0.30 0.00 -1.74 0.00 0.00 68.15 67.39 2k2c h THR 39 CO 0.48 0.11 -0.88 0.00 0.37 0.00 0.00 175.52 175.60 2k2c h ARG 41 N 5.54 0.40 0.00 0.00 -0.00 -1.87 -2.45 114.38 116.01 2k2c h ARG 41 Ca -0.42 -0.05 -0.14 0.00 -0.00 0.00 0.00 59.98 59.37 2k2c h ARG 41 Cb 1.13 -0.08 -0.02 0.00 -0.00 0.00 0.00 29.97 31.00 2k2c h ARG 41 CO 0.47 0.35 -0.69 1.37 -0.00 0.00 0.00 179.97 181.47 2k2c h LEU 42 N 0.40 0.00 -1.29 0.08 -0.00 -1.96 -3.05 115.31 109.48 2k2c h LEU 42 Ca 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.93 2k2c h LEU 42 Cb 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.76 2k2c h LEU 42 CO -0.01 0.69 -0.25 0.00 -0.00 0.00 0.00 178.44 178.87 2k2c h HIS 44 N 0.00 -0.31 0.00 0.00 -0.00 -1.41 -2.93 115.15 110.50 2k2c h HIS 44 Ca -0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.31 2k2c h HIS 44 Cb 0.67 0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 28.18 2k2c h HIS 44 CO 0.00 -0.07 -0.22 0.22 -0.00 0.00 0.00 177.93 177.86 2k2c h ASP 45 N -0.52 0.00 -0.15 3.26 3.58 -1.42 0.20 116.42 121.36 2k2c h ASP 45 Ca -0.03 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.31 2k2c h ASP 45 Cb 0.39 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2k2c h ASP 45 CO 0.06 0.22 -0.25 -1.13 -2.88 0.00 0.00 179.24 175.25 2k2c h ASN 46 N 0.00 0.62 0.40 2.28 -0.73 -1.22 -3.30 115.58 113.63 2k2c h ASN 46 Ca -0.00 -0.22 -0.24 0.00 1.87 0.00 0.00 56.30 57.71 2k2c h ASN 46 Cb 0.44 -0.17 -0.04 0.00 0.27 0.00 0.00 38.32 38.81 2k2c h ASN 46 CO 0.03 0.86 -1.80 0.59 -0.37 0.00 0.00 177.43 176.73 2k2c n ASN 47 N -4.11 0.56 -4.79 1.15 5.03 -0.74 -5.01 115.26 107.36 2k2c n ASN 47 Ca -0.00 0.25 -0.33 0.00 0.87 0.00 0.00 54.58 55.37 2k2c n ASN 47 Cb 0.43 0.49 -0.07 0.00 -1.02 0.00 0.00 39.78 39.61 2k2c n ASN 47 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2k2c s GLU 48 N -2.78 2.22 0.08 3.52 2.02 0.62 -5.08 118.70 119.30 2k2c s GLU 48 Ca -0.06 -2.42 0.02 0.00 0.02 0.00 0.00 54.97 52.53 2k2c s GLU 48 Cb 0.08 -1.55 -0.25 0.00 0.10 0.00 0.00 34.13 32.51 2k2c s GLU 48 CO 0.83 -0.41 1.14 -0.44 0.02 0.00 0.00 175.26 176.40 2k2c h ASP 49 N 1.26 0.22 -1.59 -0.19 3.32 -1.85 -3.43 116.42 114.16 2k2c h ASP 49 Ca -0.44 -0.25 -0.60 0.00 0.02 0.00 0.00 57.03 55.77 2k2c h ASP 49 Cb 1.32 -0.07 -0.11 0.00 0.22 0.00 0.00 39.33 40.70 2k2c h ASP 49 CO 0.72 1.20 -0.54 -1.38 -1.72 0.00 0.00 179.24 177.52 2k2c s HIS 50 N -2.67 2.55 0.21 4.55 -3.43 -1.26 -5.09 115.29 110.15 2k2c s HIS 50 Ca -0.02 -0.63 -0.18 0.00 -0.80 0.00 0.00 55.06 53.43 2k2c s HIS 50 Cb 0.08 -1.87 -0.08 0.00 -1.43 0.00 0.00 32.58 29.28 2k2c s HIS 50 CO 0.85 0.30 0.68 1.14 -2.00 0.00 0.00 174.74 175.71 2k2c s GLN 51 N -3.82 4.15 -0.09 -0.38 -2.07 -1.26 -4.14 119.66 112.05 2k2c s GLN 51 Ca 0.38 0.74 -0.01 0.00 -1.82 0.00 0.00 55.36 54.65 2k2c s GLN 51 Cb 0.07 -2.85 -0.03 0.00 -1.09 0.00 0.00 33.01 29.11 2k2c s GLN 51 CO 0.20 0.39 -0.05 -1.17 -1.32 0.00 0.00 175.29 173.34 2k2c s LEU 52 N -2.08 3.23 -0.11 2.60 0.20 -1.25 -4.98 118.68 116.28 2k2c s LEU 52 Ca 0.43 -0.04 -0.04 0.00 0.69 0.00 0.00 54.13 55.17 2k2c s LEU 52 Cb -0.15 -1.73 -0.04 0.00 -0.43 0.00 0.00 46.19 43.84 2k2c s LEU 52 CO 0.20 0.31 0.06 -0.62 -0.29 0.00 0.00 176.35 176.01 2k2c s ASP 53 N -0.49 5.74 0.60 3.68 -1.08 -1.26 -4.52 116.67 119.34 2k2c s ASP 53 Ca 0.07 0.27 0.36 0.00 -0.52 0.00 0.00 52.55 52.73 2k2c s ASP 53 Cb -0.12 -1.76 1.91 0.00 -1.46 0.00 0.00 42.92 41.49 2k2c s ASP 53 CO 0.02 0.37 2.22 0.08 0.52 0.00 0.00 175.17 178.38 2k2c h ARG 54 N 5.24 0.00 0.00 4.34 -0.00 -1.94 -1.86 114.38 120.16 2k2c h ARG 54 Ca -0.51 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 59.38 2k2c h ARG 54 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.16 2k2c h ARG 54 CO 0.57 0.03 -0.58 0.74 -0.00 0.00 0.00 179.97 180.73 2k2c h PHE 55 N 0.00 0.00 0.00 4.08 0.04 -1.90 -3.35 116.94 115.81 2k2c h PHE 55 Ca -0.00 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 2k2c h PHE 55 Cb 0.17 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 2k2c h PHE 55 CO 0.00 0.39 -0.39 0.87 -0.60 0.00 0.00 178.31 178.58 2k2c h LYS 56 N 0.00 0.00 -7.29 1.51 1.79 -1.72 -3.45 116.57 107.41 2k2c h LYS 56 Ca -0.03 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.93 2k2c h LYS 56 Cb 1.32 0.00 0.14 0.00 -1.58 0.00 0.00 32.23 32.11 2k2c h LYS 56 CO 0.05 0.39 0.31 0.14 -1.08 0.00 0.00 179.45 179.26 2k2c s VAL 57 N -3.80 3.11 0.00 0.50 -7.23 -1.26 -4.77 120.40 106.95 2k2c s VAL 57 Ca -0.01 0.38 0.00 0.00 -1.81 0.00 0.00 61.98 60.54 2k2c s VAL 57 Cb 0.12 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 34.25 2k2c s VAL 57 CO 0.70 -0.45 0.00 1.17 -0.31 0.00 0.00 175.10 176.21 2k2c n LYS 58 N -3.47 0.00 -4.04 4.82 3.00 -1.26 -5.01 118.16 112.20 2k2c n LYS 58 Ca 0.10 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.19 2k2c n LYS 58 Cb 0.53 -0.64 -0.04 0.00 0.00 0.00 0.00 35.03 34.87 2k2c n LYS 58 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2k2c s GLU 59 N -1.37 2.90 -0.12 1.64 2.02 -1.26 -1.32 118.70 121.18 2k2c s GLU 59 Ca 0.00 -1.10 -0.08 0.00 0.02 0.00 0.00 54.97 53.81 2k2c s GLU 59 Cb 0.00 -2.56 0.04 0.00 0.10 0.00 0.00 34.13 31.72 2k2c s GLU 59 CO 0.00 0.33 0.31 0.14 0.02 0.00 0.00 175.26 176.06 2k2c s VAL 60 N -2.17 -0.02 0.16 2.63 -7.23 -0.68 -1.59 120.40 111.50 2k2c s VAL 60 Ca 0.35 0.07 -0.05 0.00 -1.81 0.00 0.00 61.98 60.54 2k2c s VAL 60 Cb -0.07 -0.45 -0.06 0.00 0.56 0.00 0.00 36.38 36.36 2k2c s VAL 60 CO 0.25 0.03 0.41 0.00 -0.31 0.00 0.00 175.10 175.48 2k2c s GLN 61 N 0.83 3.64 -0.30 4.82 1.03 -0.78 -0.94 119.66 127.97 2k2c s GLN 61 Ca -0.05 -0.05 -0.21 0.00 0.04 0.00 0.00 55.36 55.09 2k2c s GLN 61 Cb -0.06 -2.81 -0.01 0.00 0.03 0.00 0.00 33.01 30.16 2k2c s GLN 61 CO -0.06 0.43 0.67 0.00 -2.54 0.00 0.00 175.29 173.79 2k2c n ILE 63 N 5.40 4.21 0.03 0.00 5.41 -0.84 -0.51 119.36 133.05 2k2c n ILE 63 Ca 0.00 -2.77 0.00 0.00 1.00 0.00 0.00 62.75 60.98 2k2c n ILE 63 Cb 0.49 -2.33 0.00 0.00 -0.71 0.00 0.00 39.64 37.09 2k2c n ILE 63 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2k2c n ASN 64 N 2.83 -0.48 -0.17 4.38 5.15 -1.26 -4.93 115.26 120.78 2k2c n ASN 64 Ca 0.67 0.11 0.02 0.00 -0.60 0.00 0.00 54.58 54.78 2k2c n ASN 64 Cb 0.38 0.83 0.02 0.00 -0.53 0.00 0.00 39.78 40.47 2k2c n ASN 64 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k2c n GLU 66 N 0.17 -1.92 -2.22 0.00 1.02 0.33 -4.96 120.64 113.07 2k2c n GLU 66 Ca 0.02 0.52 -0.41 0.00 -0.02 0.00 0.00 57.16 57.27 2k2c n GLU 66 Cb 0.11 -4.97 -0.03 0.00 -0.02 0.00 0.00 31.44 26.53 2k2c n GLU 66 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2k2c s LYS 67 N -2.01 4.41 -0.04 3.49 2.47 -1.26 -4.67 119.74 122.13 2k2c s LYS 67 Ca 0.00 2.06 -0.29 0.00 -1.56 0.00 0.00 55.97 56.18 2k2c s LYS 67 Cb 0.00 -3.17 -0.03 0.00 -1.46 0.00 0.00 37.83 33.17 2k2c s LYS 67 CO 0.00 -0.20 0.95 0.42 0.16 0.00 0.00 175.35 176.68 2k2c s ILE 68 N -0.24 4.87 0.37 5.43 -1.09 -1.26 -1.52 121.20 127.76 2k2c s ILE 68 Ca 0.54 1.97 0.08 0.00 -2.23 0.00 0.00 60.65 61.02 2k2c s ILE 68 Cb -0.37 -4.28 -0.06 0.00 -1.58 0.00 0.00 42.46 36.17 2k2c s ILE 68 CO 0.41 0.13 -0.00 -1.10 -1.23 0.00 0.00 174.94 173.15 2k2c s GLN 69 N 1.25 1.99 0.56 2.79 -1.52 -0.11 -4.99 119.66 119.63 2k2c s GLN 69 Ca 0.49 -1.91 -0.15 0.00 -1.95 0.00 0.00 55.36 51.84 2k2c s GLN 69 Cb -0.20 -1.79 -0.06 0.00 -0.22 0.00 0.00 33.01 30.74 2k2c s GLN 69 CO 0.24 0.06 1.01 -3.38 -0.25 0.00 0.00 175.29 172.97 2k2c s HIS 70 N -2.61 3.40 -0.45 0.91 -3.43 -1.26 -1.69 115.29 110.16 2k2c s HIS 70 Ca 0.35 1.43 -0.27 0.00 -0.80 0.00 0.00 55.06 55.77 2k2c s HIS 70 Cb 0.04 -2.81 -0.05 0.00 -1.43 0.00 0.00 32.58 28.32 2k2c s HIS 70 CO 0.19 -0.62 2.23 0.00 -2.00 0.00 0.00 174.74 174.54 2k2c s ALA 71 N -2.76 2.03 0.12 -1.38 0.00 -0.43 -4.58 121.76 114.76 2k2c s ALA 71 Ca 0.59 0.07 -0.07 0.00 0.00 0.00 0.00 51.96 52.54 2k2c s ALA 71 Cb -0.11 -4.26 -0.01 0.00 0.00 0.00 0.00 23.12 18.73 2k2c s ALA 71 CO 0.39 -3.90 0.19 -1.14 0.00 0.00 0.00 175.76 171.29 2k2c s GLN 72 N 7.48 0.94 0.23 0.00 0.74 -1.26 -4.90 119.66 122.89 2k2c s GLN 72 Ca 0.91 -1.12 0.03 0.00 0.05 0.00 0.00 55.36 55.23 2k2c s GLN 72 Cb -0.20 0.33 0.23 0.00 1.10 0.00 0.00 33.01 34.47 2k2c s GLN 72 CO 0.27 -0.31 1.56 0.37 -0.55 0.00 0.00 175.29 176.63 2k2c h GLN 73 N 2.73 0.32 -5.56 1.67 4.15 -1.94 -3.47 115.11 113.01 2k2c h GLN 73 Ca -0.33 -0.21 -0.44 0.00 0.77 0.00 0.00 58.65 58.43 2k2c h GLN 73 Cb 1.20 0.03 -0.18 0.00 0.21 0.00 0.00 27.48 28.74 2k2c h GLN 73 CO 0.55 0.81 -0.77 0.99 -1.93 0.00 0.00 178.83 178.48 2k2c s THR 74 N -3.85 1.46 -0.42 2.39 2.01 -1.26 -0.92 115.64 115.05 2k2c s THR 74 Ca -0.05 -1.77 -0.25 0.00 0.31 0.00 0.00 61.69 59.93 2k2c s THR 74 Cb 0.12 -1.62 0.02 0.00 0.01 0.00 0.00 72.50 71.03 2k2c s THR 74 CO 0.81 -0.39 0.87 0.00 -0.69 0.00 0.00 174.62 175.21 2k2c h GLU 76 N 8.83 0.00 -0.22 0.00 9.09 -1.96 0.35 114.58 130.67 2k2c h GLU 76 Ca -0.24 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.03 2k2c h GLU 76 Cb 1.08 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.17 2k2c h GLU 76 CO 0.98 0.00 -0.43 1.49 0.05 0.00 0.00 179.01 181.10 2k2c h GLU 77 N 0.00 0.53 0.00 1.06 4.57 -1.99 -3.39 114.58 115.36 2k2c h GLU 77 Ca -0.00 -0.28 -0.09 0.00 -1.18 0.00 0.00 59.36 57.81 2k2c h GLU 77 Cb 0.00 0.01 -0.12 0.00 -0.16 0.00 0.00 28.75 28.48 2k2c h GLU 77 CO 0.00 0.87 -0.36 0.00 -1.18 0.00 0.00 179.01 178.34 2k2c n SER 79 N 0.08 -5.32 -4.64 0.00 7.64 0.12 -4.94 113.62 106.56 2k2c n SER 79 Ca -0.11 0.20 -0.43 0.00 1.01 0.00 0.00 58.87 59.54 2k2c n SER 79 Cb 0.72 -4.55 -0.02 0.00 -1.01 0.00 0.00 64.21 59.34 2k2c n SER 79 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2k2c s THR 80 N -2.83 4.00 -0.47 0.44 2.01 -1.23 -4.75 115.64 112.82 2k2c s THR 80 Ca 0.00 1.15 -0.28 0.00 0.31 0.00 0.00 61.69 62.87 2k2c s THR 80 Cb 0.00 -3.93 0.01 0.00 0.01 0.00 0.00 72.50 68.59 2k2c s THR 80 CO 0.00 -0.30 1.46 -0.22 -0.69 0.00 0.00 174.62 174.86 2k2c s LEU 81 N 4.37 3.50 0.35 4.42 2.96 -1.26 -1.16 118.68 131.87 2k2c s LEU 81 Ca 0.62 0.65 0.16 0.00 -0.22 0.00 0.00 54.13 55.33 2k2c s LEU 81 Cb -0.22 -3.33 0.64 0.00 0.50 0.00 0.00 46.19 43.78 2k2c s LEU 81 CO 0.23 -1.59 1.74 -0.26 -1.32 0.00 0.00 176.35 175.15 2k2c h PHE 82 N 11.16 0.00 -1.37 5.38 0.04 -1.32 -3.39 116.94 127.44 2k2c h PHE 82 Ca -0.28 0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.62 2k2c h PHE 82 Cb 1.11 0.00 -0.27 0.00 2.20 0.00 0.00 35.95 38.99 2k2c h PHE 82 CO 0.99 0.43 0.67 0.20 -0.60 0.00 0.00 178.31 180.01 2k2c s GLY 83 N -4.37 -0.04 0.10 -1.45 0.00 -1.25 -1.33 107.32 98.98 2k2c s GLY 83 Ca -0.01 2.68 -0.19 0.00 0.00 0.00 0.00 44.72 47.20 2k2c s GLY 83 CO 0.71 1.46 1.59 0.83 0.00 0.00 0.00 173.10 177.69 2k2c h GLU 84 N 3.03 0.41 -5.93 2.90 5.08 -1.71 -3.41 114.58 114.96 2k2c h GLU 84 Ca -0.21 -0.10 -0.60 0.00 -1.00 0.00 0.00 59.36 57.45 2k2c h GLU 84 Cb 1.18 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.31 2k2c h GLU 84 CO 0.21 0.51 -0.20 -0.47 -1.00 0.00 0.00 179.01 178.05 2k2c s TYR 85 N -5.31 3.68 0.07 4.33 6.14 -0.37 -4.80 117.35 121.10 2k2c s TYR 85 Ca -0.14 0.95 0.03 0.00 0.64 0.00 0.00 57.07 58.55 2k2c s TYR 85 Cb 0.08 -2.33 -0.03 0.00 0.42 0.00 0.00 41.96 40.10 2k2c s TYR 85 CO 0.73 0.55 -0.09 1.52 0.64 0.00 0.00 175.55 178.90 2k2c s TYR 86 N -0.71 0.89 -0.30 4.97 1.13 -1.26 -1.89 117.35 120.17 2k2c s TYR 86 Ca 0.23 -0.60 -0.13 0.00 -1.41 0.00 0.00 57.07 55.16 2k2c s TYR 86 Cb -0.16 -0.51 0.17 0.00 -1.10 0.00 0.00 41.96 40.36 2k2c s TYR 86 CO 0.12 -0.05 1.00 0.00 -2.51 0.00 0.00 175.55 174.11 2k2c h ASP 88 N 7.76 0.27 -0.95 0.00 3.58 -1.91 -0.28 116.42 124.89 2k2c h ASP 88 Ca -0.15 -0.30 0.10 0.00 0.42 0.00 0.00 57.03 57.10 2k2c h ASP 88 Cb 1.15 -0.09 -0.07 0.00 1.72 0.00 0.00 39.33 42.04 2k2c h ASP 88 CO 0.01 1.24 0.61 0.40 -2.88 0.00 0.00 179.24 178.62 2k2c h ILE 89 N 0.05 0.96 0.00 2.25 2.04 -1.95 -1.03 117.51 119.83 2k2c h ILE 89 Ca -0.10 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.42 2k2c h ILE 89 Cb 1.91 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 2k2c h ILE 89 CO 0.17 0.18 -1.33 0.00 0.00 0.00 0.00 178.15 177.17 2k2c n HIS 91 N -2.10 0.00 -3.60 0.00 8.25 -0.21 -4.31 115.22 113.25 2k2c n HIS 91 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 2k2c n HIS 91 Cb 0.48 -2.44 -0.07 0.00 1.12 0.00 0.00 29.99 29.09 2k2c n HIS 91 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 2k2c s LEU 92 N -2.93 4.28 -0.17 2.41 0.05 -0.61 -4.95 118.68 116.76 2k2c s LEU 92 Ca 0.00 0.52 -0.04 0.00 0.05 0.00 0.00 54.13 54.66 2k2c s LEU 92 Cb 0.00 -2.32 0.06 0.00 -2.05 0.00 0.00 46.19 41.87 2k2c s LEU 92 CO 0.00 0.17 0.06 -0.36 -0.55 0.00 0.00 176.35 175.67 2k2c s PHE 93 N 0.10 0.62 0.35 3.48 0.08 -1.26 -1.42 117.98 119.93 2k2c s PHE 93 Ca 0.16 -0.56 -0.10 0.00 0.12 0.00 0.00 56.93 56.56 2k2c s PHE 93 Cb -0.13 -0.86 0.02 0.00 -0.57 0.00 0.00 43.02 41.49 2k2c s PHE 93 CO 0.04 -0.54 0.61 0.16 -0.10 0.00 0.00 175.22 175.39 2k2c s ASP 94 N 1.99 0.40 0.46 1.36 -4.77 -0.79 -4.50 116.67 110.82 2k2c s ASP 94 Ca 0.01 -1.25 -0.25 0.00 -3.30 0.00 0.00 52.55 47.76 2k2c s ASP 94 Cb -0.16 0.73 -0.08 0.00 -1.09 0.00 0.00 42.92 42.32 2k2c s ASP 94 CO -0.08 -1.44 1.41 -0.54 0.70 0.00 0.00 175.17 175.22 2k2c s LYS 95 N -2.90 3.62 -0.41 2.11 1.02 -1.08 -1.23 119.74 120.87 2k2c s LYS 95 Ca 0.23 2.38 -0.29 0.00 0.02 0.00 0.00 55.97 58.31 2k2c s LYS 95 Cb -0.03 -2.60 0.01 0.00 -0.52 0.00 0.00 37.83 34.69 2k2c s LYS 95 CO 0.15 -0.85 1.35 0.34 -0.92 0.00 0.00 175.35 175.42 2k2c s ASP 96 N -0.59 6.43 -0.39 2.83 2.15 -1.26 -4.61 116.67 121.24 2k2c s ASP 96 Ca 0.62 0.80 0.07 0.00 0.43 0.00 0.00 52.55 54.47 2k2c s ASP 96 Cb -0.43 -2.54 0.43 0.00 -0.30 0.00 0.00 42.92 40.08 2k2c s ASP 96 CO 0.55 -1.36 1.13 0.29 -0.17 0.00 0.00 175.17 175.60 2k2c n LYS 97 N 7.95 3.35 -0.95 4.34 5.02 -1.26 -4.89 118.16 131.71 2k2c n LYS 97 Ca 0.15 -4.34 0.00 0.00 -2.02 0.00 0.00 58.31 52.11 2k2c n LYS 97 Cb 0.48 -2.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 2k2c n LYS 97 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k2c n LYS 98 N -0.53 -0.80 -2.05 1.97 4.76 -1.26 -4.30 118.16 115.95 2k2c n LYS 98 Ca 0.38 0.20 -0.37 0.00 -2.87 0.00 0.00 58.31 55.66 2k2c n LYS 98 Cb 0.76 -3.89 0.02 0.00 -1.84 0.00 0.00 35.03 30.08 2k2c n LYS 98 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2k2c s GLN 99 N -0.89 3.20 -0.07 1.97 -2.07 -1.21 -0.67 119.66 119.91 2k2c s GLN 99 Ca 0.00 1.87 0.04 0.00 -1.82 0.00 0.00 55.36 55.45 2k2c s GLN 99 Cb 0.00 -2.09 0.00 0.00 -1.09 0.00 0.00 33.01 29.83 2k2c s GLN 99 CO 0.00 -1.03 -0.19 1.52 -1.32 0.00 0.00 175.29 174.26 2k2c s TYR 100 N -1.55 2.03 -0.58 9.60 1.13 -1.23 -4.77 117.35 121.97 2k2c s TYR 100 Ca 0.73 -0.70 -0.23 0.00 -1.41 0.00 0.00 57.07 55.45 2k2c s TYR 100 Cb -0.31 -1.37 0.05 0.00 -1.10 0.00 0.00 41.96 39.23 2k2c s TYR 100 CO 0.35 -0.27 0.93 -1.58 -2.51 0.00 0.00 175.55 172.47 2k2c s HIS 101 N 0.23 2.76 -0.11 -3.49 2.46 -1.26 -3.60 115.29 112.29 2k2c s HIS 101 Ca -0.11 -0.21 -0.29 0.00 0.47 0.00 0.00 55.06 54.92 2k2c s HIS 101 Cb -0.15 -4.11 -0.04 0.00 -0.13 0.00 0.00 32.58 28.15 2k2c s HIS 101 CO 0.05 -1.44 1.48 0.00 -2.47 0.00 0.00 174.74 172.36 2k2c h GLU 103 N 8.96 0.56 0.19 0.00 3.07 -1.95 0.54 114.58 125.95 2k2c h GLU 103 Ca -0.33 -0.20 -0.01 0.00 -0.50 0.00 0.00 59.36 58.32 2k2c h GLU 103 Cb 1.14 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 2k2c h GLU 103 CO 0.96 0.73 -0.09 -0.97 -1.40 0.00 0.00 179.01 178.24 2k2c h ASN 104 N 0.34 -0.21 1.55 1.42 -0.00 -1.96 -2.82 115.58 113.90 2k2c h ASN 104 Ca 0.08 -0.07 0.00 0.00 -0.00 0.00 0.00 56.30 56.31 2k2c h ASN 104 Cb 0.50 0.06 0.00 0.00 -0.00 0.00 0.00 38.32 38.87 2k2c h ASN 104 CO 0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 177.43 177.39 2k2c n GLY 106 N 0.82 0.79 3.14 0.00 0.00 0.16 -5.00 105.19 105.09 2k2c n GLY 106 Ca 0.03 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 2k2c n GLY 106 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k2c s ILE 107 N -2.15 0.63 0.12 -0.61 -4.36 -1.05 -4.63 121.20 109.15 2k2c s ILE 107 Ca 0.00 -1.70 0.09 0.00 -0.26 0.00 0.00 60.65 58.79 2k2c s ILE 107 Cb 0.00 -1.38 -0.04 0.00 1.25 0.00 0.00 42.46 42.29 2k2c s ILE 107 CO 0.00 -0.75 -0.23 0.00 0.24 0.00 0.00 174.94 174.20 2k2c s ARG 109 N -2.06 0.84 -0.36 0.00 1.04 -1.24 -4.99 118.95 112.18 2k2c s ARG 109 Ca 0.11 -0.73 -0.28 0.00 -1.04 0.00 0.00 55.73 53.79 2k2c s ARG 109 Cb -0.10 0.35 -0.04 0.00 -2.04 0.00 0.00 34.95 33.13 2k2c s ARG 109 CO 0.05 -0.28 2.03 0.42 -0.04 0.00 0.00 175.30 177.49 2k2c s ILE 110 N -3.24 3.25 -0.29 4.99 -1.09 -1.26 -3.53 121.20 120.04 2k2c s ILE 110 Ca -0.00 0.23 -0.23 0.00 -2.23 0.00 0.00 60.65 58.42 2k2c s ILE 110 Cb 0.02 -3.40 0.13 0.00 -1.58 0.00 0.00 42.46 37.63 2k2c s ILE 110 CO -0.08 -0.29 1.05 -0.83 -1.23 0.00 0.00 174.94 173.55 2k2c s GLY 111 N 7.98 -0.08 -0.18 6.18 0.00 -1.26 -4.97 107.32 114.98 2k2c s GLY 111 Ca 0.87 2.86 -0.29 0.00 0.00 0.00 0.00 44.72 48.16 2k2c s GLY 111 CO 0.31 2.05 1.55 2.56 0.00 0.00 0.00 173.10 179.57 2k2c s PRO 112 N 0.52 3.95 0.52 2.90 0.04 -1.26 -3.36 135.00 138.31 2k2c s PRO 112 Ca 0.00 1.74 0.28 0.00 0.04 0.00 0.00 61.00 63.06 2k2c s PRO 112 Cb -0.05 -3.97 1.44 0.00 0.04 0.00 0.00 34.50 31.96 2k2c s PRO 112 CO -0.09 -1.11 2.07 1.57 0.04 0.00 0.00 177.00 179.48 2k2c h LYS 113 N 10.01 0.00 -0.10 4.56 2.10 -1.20 -1.27 116.57 130.67 2k2c h LYS 113 Ca -0.33 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.20 2k2c h LYS 113 Cb 1.15 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.46 2k2c h LYS 113 CO 0.99 0.12 -0.46 1.05 -2.00 0.00 0.00 179.45 179.15 2k2c h GLU 114 N 0.00 0.24 -0.01 0.07 9.09 -1.89 -3.35 114.58 118.72 2k2c h GLU 114 Ca -0.00 -0.12 0.00 0.00 0.05 0.00 0.00 59.36 59.28 2k2c h GLU 114 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.45 2k2c h GLU 114 CO 0.02 0.65 -0.07 -3.47 0.05 0.00 0.00 179.01 176.19 2k2c n ASP 115 N -3.99 1.88 -4.93 3.06 2.03 -0.55 -5.04 116.55 109.02 2k2c n ASP 115 Ca -0.02 -1.44 -0.26 0.00 0.52 0.00 0.00 54.79 53.59 2k2c n ASP 115 Cb 0.51 0.13 0.04 0.00 -0.72 0.00 0.00 41.12 41.08 2k2c n ASP 115 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2k2c s PHE 116 N -1.21 3.13 -0.20 -0.67 -0.71 -0.77 -0.68 117.98 116.88 2k2c s PHE 116 Ca 0.14 0.53 -0.12 0.00 -1.04 0.00 0.00 56.93 56.44 2k2c s PHE 116 Cb 0.11 -2.86 0.06 0.00 -1.21 0.00 0.00 43.02 39.11 2k2c s PHE 116 CO 0.20 -0.99 0.49 -0.59 -1.34 0.00 0.00 175.22 173.00 2k2c s PHE 117 N -3.04 -0.71 -0.02 3.49 -0.71 0.03 -4.84 117.98 112.17 2k2c s PHE 117 Ca 0.56 1.50 -0.30 0.00 -1.04 0.00 0.00 56.93 57.65 2k2c s PHE 117 Cb -0.11 0.34 -0.03 0.00 -1.21 0.00 0.00 43.02 42.02 2k2c s PHE 117 CO 0.44 -0.37 1.06 -1.58 -1.34 0.00 0.00 175.22 173.43 2k2c s HIS 118 N 1.26 3.52 0.02 3.49 5.65 -1.26 -0.91 115.29 127.05 2k2c s HIS 118 Ca -0.08 1.53 -0.25 0.00 0.25 0.00 0.00 55.06 56.52 2k2c s HIS 118 Cb -0.07 -3.23 -0.05 0.00 -1.18 0.00 0.00 32.58 28.05 2k2c s HIS 118 CO -0.12 -0.47 0.76 0.00 -0.65 0.00 0.00 174.74 174.26 2k2c h LEU 120 N 5.92 -0.01 -7.76 0.00 3.38 -1.93 -2.96 115.31 111.95 2k2c h LEU 120 Ca -0.43 -0.53 -0.74 0.00 0.09 0.00 0.00 57.88 56.27 2k2c h LEU 120 Cb 1.20 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.76 2k2c h LEU 120 CO 0.72 0.52 1.04 -0.54 0.09 0.00 0.00 178.44 180.27 2k2c s LYS 121 N -4.06 3.97 0.00 1.13 -0.14 -1.26 -3.87 119.74 115.51 2k2c s LYS 121 Ca -0.16 -2.49 0.00 0.00 -1.36 0.00 0.00 55.97 51.96 2k2c s LYS 121 Cb 0.01 -4.92 0.00 0.00 -1.68 0.00 0.00 37.83 31.24 2k2c s LYS 121 CO 0.67 -1.67 0.00 0.00 -0.76 0.00 0.00 175.35 173.59 2k2c n ASN 123 N 0.00 0.00 -4.76 0.00 5.15 -1.12 -4.99 115.26 109.55 2k2c n ASN 123 Ca 0.00 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.62 2k2c n ASN 123 Cb 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.28 2k2c n ASN 123 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2k2c s LEU 124 N 0.00 3.71 -0.37 1.20 2.96 -1.26 -4.58 118.68 120.33 2k2c s LEU 124 Ca 0.00 2.37 -0.06 0.00 -0.22 0.00 0.00 54.13 56.22 2k2c s LEU 124 Cb 0.00 -4.56 0.07 0.00 0.50 0.00 0.00 46.19 42.20 2k2c s LEU 124 CO 0.00 -1.49 0.16 0.00 -1.32 0.00 0.00 176.35 173.70 2k2c s LEU 126 N 1.33 3.14 0.32 0.00 2.01 -0.09 -4.82 118.68 120.57 2k2c s LEU 126 Ca 0.01 -0.19 0.04 0.00 0.01 0.00 0.00 54.13 54.00 2k2c s LEU 126 Cb -0.21 -2.46 -0.02 0.00 0.01 0.00 0.00 46.19 43.51 2k2c s LEU 126 CO 0.00 -1.44 0.47 0.00 1.01 0.00 0.00 176.35 176.39 2k2c s ALA 127 N -2.91 3.92 -0.79 4.21 0.00 -1.26 -0.79 121.76 124.13 2k2c s ALA 127 Ca 0.61 -1.18 0.17 0.00 0.00 0.00 0.00 51.96 51.56 2k2c s ALA 127 Cb -0.08 -1.87 0.71 0.00 0.00 0.00 0.00 23.12 21.89 2k2c s ALA 127 CO 0.41 0.03 1.52 -1.33 0.00 0.00 0.00 175.76 176.38 2k2c n MET 128 N -1.65 0.07 0.11 0.00 2.81 0.15 -0.98 117.12 117.63 2k2c n MET 128 Ca -0.05 0.35 -0.19 0.00 -1.81 0.00 0.00 57.70 56.00 2k2c n MET 128 Cb 0.57 -1.65 -0.15 0.00 -0.71 0.00 0.00 33.22 31.29 2k2c n MET 128 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2k2c h ASN 129 N 0.00 0.56 -0.20 7.83 2.35 -1.95 -3.35 115.58 120.82 2k2c h ASN 129 Ca 0.00 -0.62 0.00 0.00 -0.55 0.00 0.00 56.30 55.13 2k2c h ASN 129 Cb 0.25 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2k2c h ASN 129 CO 0.00 1.49 0.00 -0.11 -1.65 0.00 0.00 177.43 177.16 2k2c n LEU 130 N -3.58 2.00 0.00 1.61 -0.00 -0.16 -4.43 117.00 112.45 2k2c n LEU 130 Ca -0.13 -1.01 0.00 0.00 -0.00 0.00 0.00 56.01 54.87 2k2c n LEU 130 Cb 1.05 -0.40 0.00 0.00 -0.00 0.00 0.00 43.42 44.08 2k2c n LEU 130 CO 0.55 0.35 0.47 0.00 -0.00 0.00 0.00 177.39 178.76 2k2c n GLN 131 N 0.19 0.00 -0.00 1.96 -0.00 -1.04 -2.37 117.38 116.12 2k2c n GLN 131 Ca 0.08 0.44 0.01 0.00 -0.00 0.00 0.00 57.00 57.53 2k2c n GLN 131 Cb 0.41 -1.50 -0.01 0.00 -0.00 0.00 0.00 30.24 29.14 2k2c n GLN 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k2c n GLY 132 N -1.44 0.78 2.76 2.61 0.00 -1.26 -4.82 105.19 103.80 2k2c n GLY 132 Ca 0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 2k2c n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k2c n ARG 133 N -1.09 3.18 -3.67 1.61 3.00 -1.00 -4.91 116.66 113.79 2k2c n ARG 133 Ca 0.00 -3.98 -0.09 0.00 -0.01 0.00 0.00 57.85 53.77 2k2c n ARG 133 Cb 0.02 -2.28 -0.09 0.00 0.00 0.00 0.00 32.46 30.11 2k2c n ARG 133 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2k2c s HIS 134 N -3.90 -0.79 -1.07 -1.55 -3.43 -1.26 -5.09 115.29 98.21 2k2c s HIS 134 Ca 0.50 1.63 -0.22 0.00 -0.80 0.00 0.00 55.06 56.16 2k2c s HIS 134 Cb 0.40 0.41 0.00 0.00 -1.43 0.00 0.00 32.58 31.96 2k2c s HIS 134 CO -0.31 -0.41 1.74 -1.59 -2.00 0.00 0.00 174.74 172.16 2k2c s LYS 135 N 1.44 3.16 0.00 -0.38 -2.85 -1.26 -4.77 119.74 115.09 2k2c s LYS 135 Ca -0.09 -1.05 0.30 0.00 -1.00 0.00 0.00 55.97 54.13 2k2c s LYS 135 Cb -0.07 -5.29 1.49 0.00 -2.06 0.00 0.00 37.83 31.91 2k2c s LYS 135 CO -0.15 -2.88 2.00 0.00 0.10 0.00 0.00 175.35 174.42