#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2c n ALA 2 N 0.00 -0.45 -2.36 3.04 0.00 -1.26 -5.20 120.51 114.29 2k2c n ALA 2 Ca 0.00 -0.54 -0.14 0.00 0.00 0.00 0.00 53.44 52.77 2k2c n ALA 2 Cb 0.00 0.43 -0.10 0.00 0.00 0.00 0.00 19.45 19.78 2k2c n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k2c s ALA 3 N -1.66 1.22 -0.95 0.00 0.00 -1.26 -5.08 121.76 114.03 2k2c s ALA 3 Ca 0.08 -1.32 -0.24 0.00 0.00 0.00 0.00 51.96 50.48 2k2c s ALA 3 Cb -0.01 0.05 -0.06 0.00 0.00 0.00 0.00 23.12 23.10 2k2c s ALA 3 CO 0.06 -0.08 1.95 0.95 0.00 0.00 0.00 175.76 178.64 2k2c s THR 4 N -2.91 3.45 -0.56 0.00 -4.23 -1.26 -4.92 115.64 105.23 2k2c s THR 4 Ca 0.10 -0.46 -0.27 0.00 -1.18 0.00 0.00 61.69 59.88 2k2c s THR 4 Cb 0.00 -4.08 -0.00 0.00 1.34 0.00 0.00 72.50 69.75 2k2c s THR 4 CO -0.00 -0.93 1.65 0.00 -0.54 0.00 0.00 174.62 174.79 2k2c s ALA 5 N 10.37 2.56 0.36 3.99 0.00 -1.26 -4.93 121.76 132.85 2k2c s ALA 5 Ca 0.70 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.99 2k2c s ALA 5 Cb -0.06 -4.18 0.04 0.00 0.00 0.00 0.00 23.12 18.92 2k2c s ALA 5 CO 0.02 -3.30 0.68 -0.98 0.00 0.00 0.00 175.76 172.18 2k2c s ARG 6 N 6.17 2.10 -0.06 0.00 1.70 -1.26 -5.07 118.95 122.53 2k2c s ARG 6 Ca 0.62 -1.52 -0.03 0.00 -0.47 0.00 0.00 55.73 54.32 2k2c s ARG 6 Cb -0.13 0.56 -0.27 0.00 -0.57 0.00 0.00 34.95 34.54 2k2c s ARG 6 CO 0.24 -0.95 0.61 0.93 -1.08 0.00 0.00 175.30 175.05 2k2c h GLU 7 N 2.04 0.23 -5.21 3.89 4.39 -2.03 -3.50 114.58 114.39 2k2c h GLU 7 Ca -0.30 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.00 2k2c h GLU 7 Cb 1.25 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 2k2c h GLU 7 CO 0.39 1.07 -0.45 -3.47 -1.16 0.00 0.00 179.01 175.40 2k2c n ASP 8 N -3.41 -7.76 0.00 1.42 2.03 -1.26 -4.97 116.55 102.60 2k2c n ASP 8 Ca -0.23 0.48 0.00 0.00 0.52 0.00 0.00 54.79 55.55 2k2c n ASP 8 Cb 1.05 -5.25 0.00 0.00 -0.72 0.00 0.00 41.12 36.20 2k2c n ASP 8 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k2c n GLY 9 N -0.42 -0.51 2.97 0.27 0.00 -1.26 -5.12 105.19 101.12 2k2c n GLY 9 Ca 0.11 0.48 -0.06 0.00 0.00 0.00 0.00 46.02 46.55 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 -1.00 -1.42 0.26 4.61 0.00 -1.26 -5.16 121.76 117.79 2k2c s ALA 10 Ca 0.00 0.84 -0.09 0.00 0.00 0.00 0.00 51.96 52.71 2k2c s ALA 10 Cb 0.00 -1.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.16 2k2c s ALA 10 CO 0.00 -1.48 0.44 -0.08 0.00 0.00 0.00 175.76 174.64 2k2c s THR 11 N 2.62 0.00 0.00 0.00 -1.32 -1.26 -5.16 115.64 110.52 2k2c s THR 11 Ca 0.13 -1.52 0.00 0.00 -1.21 0.00 0.00 61.69 59.09 2k2c s THR 11 Cb -0.14 -2.35 0.00 0.00 -1.51 0.00 0.00 72.50 68.50 2k2c s THR 11 CO -0.22 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.80 2k2c n GLY 12 N -0.41 -0.65 3.78 6.08 0.00 -1.26 -4.96 105.19 107.77 2k2c n GLY 12 Ca -0.01 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 2k2c n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k2c s GLU 13 N -1.05 4.58 -1.01 1.61 2.12 -1.26 -4.98 118.70 118.71 2k2c s GLU 13 Ca 0.00 1.27 -0.23 0.00 0.36 0.00 0.00 54.97 56.36 2k2c s GLU 13 Cb 0.00 -2.94 -0.03 0.00 0.26 0.00 0.00 34.13 31.42 2k2c s GLU 13 CO 0.00 0.37 1.84 -2.00 -0.54 0.00 0.00 175.26 174.93 2k2c s GLU 14 N -1.80 2.83 -0.95 4.30 2.12 -1.26 -4.91 118.70 119.03 2k2c s GLU 14 Ca 0.46 -0.74 -0.11 0.00 0.36 0.00 0.00 54.97 54.94 2k2c s GLU 14 Cb -0.20 -5.19 0.24 0.00 0.26 0.00 0.00 34.13 29.25 2k2c s GLU 14 CO 0.25 -3.21 0.91 0.50 -0.54 0.00 0.00 175.26 173.18 2k2c s ARG 15 N 6.33 3.83 -0.45 4.30 6.06 -1.26 -4.93 118.95 132.84 2k2c s ARG 15 Ca 0.64 -2.84 0.06 0.00 -2.50 0.00 0.00 55.73 51.09 2k2c s ARG 15 Cb -0.04 -4.45 0.19 0.00 0.06 0.00 0.00 34.95 30.72 2k2c s ARG 15 CO 0.01 -1.26 0.52 0.41 -2.50 0.00 0.00 175.30 172.48 2k2c n GLY 16 N 3.32 1.19 0.12 8.12 0.00 -1.26 -4.98 105.19 111.71 2k2c n GLY 16 Ca 0.18 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 2k2c n GLY 16 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2k2c h GLN 17 N 5.14 0.28 0.00 1.61 3.07 -2.03 -3.48 115.11 119.70 2k2c h GLN 17 Ca 0.15 -0.13 0.00 0.00 0.09 0.00 0.00 58.65 58.76 2k2c h GLN 17 Cb 0.98 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.54 2k2c h GLN 17 CO 0.26 0.65 0.00 2.89 0.09 0.00 0.00 178.83 182.72 2k2c n ARG 18 N -4.65 0.00 0.00 0.06 0.00 -1.26 -5.08 116.66 105.74 2k2c n ARG 18 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 2k2c n ARG 18 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.77 2k2c n ARG 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k2c n GLY 19 N -0.09 0.54 3.74 2.89 0.00 -1.13 -4.67 105.19 106.48 2k2c n GLY 19 Ca 0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 46.02 45.06 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 0.13 0.00 4.11 -1.96 -2.40 114.58 116.47 2k2c h GLU 21 Ca -0.23 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 58.93 2k2c h GLU 21 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2k2c h GLU 21 CO 0.27 0.00 -1.36 0.45 0.07 0.00 0.00 179.01 178.43 2k2c h HIS 22 N 0.00 0.51 -3.29 2.06 3.86 -2.00 -3.46 115.15 112.83 2k2c h HIS 22 Ca 0.26 -0.37 -0.41 0.00 -1.16 0.00 0.00 60.37 58.69 2k2c h HIS 22 Cb 1.20 -0.02 -0.38 0.00 1.06 0.00 0.00 27.41 29.26 2k2c h HIS 22 CO 0.00 1.53 -0.76 0.71 0.86 0.00 0.00 177.93 180.27 2k2c s TYR 23 N -2.49 0.42 -0.69 2.45 2.02 -0.90 -5.06 117.35 113.10 2k2c s TYR 23 Ca -0.18 0.00 -0.23 0.00 -0.37 0.00 0.00 57.07 56.29 2k2c s TYR 23 Cb 0.04 -0.65 0.07 0.00 -0.40 0.00 0.00 41.96 41.01 2k2c s TYR 23 CO 0.79 -0.26 1.02 -0.51 -1.57 0.00 0.00 175.55 175.02 2k2c s ASP 24 N 1.97 6.20 0.13 2.29 1.01 -1.25 -1.14 116.67 125.87 2k2c s ASP 24 Ca 0.04 -0.98 -0.07 0.00 0.71 0.00 0.00 52.55 52.25 2k2c s ASP 24 Cb -0.12 -2.44 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 2k2c s ASP 24 CO -0.04 -1.48 0.19 0.00 0.21 0.00 0.00 175.17 174.05 2k2c s ARG 25 N 4.23 0.98 -0.28 8.23 1.70 -1.26 -1.53 118.95 131.01 2k2c s ARG 25 Ca 0.25 -1.16 0.08 0.00 -0.47 0.00 0.00 55.73 54.43 2k2c s ARG 25 Cb -0.15 0.33 0.64 0.00 -0.57 0.00 0.00 34.95 35.20 2k2c s ARG 25 CO 0.10 -0.32 1.66 0.41 -1.08 0.00 0.00 175.30 176.07 2k2c n GLY 26 N -0.12 3.39 3.21 3.88 0.00 -0.65 -2.82 105.19 112.07 2k2c n GLY 26 Ca -0.10 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 2k2c n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2c n LEU 28 N -0.15 0.00 -4.03 0.00 4.77 0.15 -4.72 117.00 113.01 2k2c n LEU 28 Ca -0.05 -3.13 -0.31 0.00 -0.03 0.00 0.00 56.01 52.50 2k2c n LEU 28 Cb 0.64 0.48 -0.16 0.00 -2.33 0.00 0.00 43.42 42.05 2k2c n LEU 28 CO 0.29 -0.45 -0.48 -0.76 -1.33 0.00 0.00 177.39 174.67 2k2c s LEU 29 N 0.00 2.21 -0.61 2.23 1.43 0.26 -2.61 118.68 121.60 2k2c s LEU 29 Ca 0.04 -0.80 -0.27 0.00 -1.03 0.00 0.00 54.13 52.07 2k2c s LEU 29 Cb 0.00 -1.29 0.03 0.00 0.03 0.00 0.00 46.19 44.96 2k2c s LEU 29 CO 0.03 -0.10 1.16 -0.75 0.23 0.00 0.00 176.35 176.92 2k2c s LYS 30 N 1.37 3.41 -0.54 1.70 2.20 -0.64 -2.32 119.74 124.93 2k2c s LYS 30 Ca 0.01 0.05 -0.28 0.00 -0.36 0.00 0.00 55.97 55.38 2k2c s LYS 30 Cb -0.15 -4.06 0.01 0.00 -1.51 0.00 0.00 37.83 32.13 2k2c s LYS 30 CO -0.09 -1.74 1.39 0.00 -0.36 0.00 0.00 175.35 174.55 2k2c s ALA 31 N 4.92 2.86 0.20 3.13 0.00 -0.56 -4.31 121.76 128.00 2k2c s ALA 31 Ca 0.39 -0.61 0.36 0.00 0.00 0.00 0.00 51.96 52.10 2k2c s ALA 31 Cb -0.09 -4.07 1.57 0.00 0.00 0.00 0.00 23.12 20.54 2k2c s ALA 31 CO 0.22 -2.83 2.06 -1.00 0.00 0.00 0.00 175.76 174.21 2k2c h PRO 32 N 10.89 0.00 0.00 0.00 0.13 -1.88 0.76 132.00 141.89 2k2c h PRO 32 Ca -0.27 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 2k2c h PRO 32 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 2k2c h PRO 32 CO 1.16 0.00 -0.13 0.00 -0.23 0.00 0.00 178.00 178.81 2k2c n ASP 35 N -0.69 -4.61 -4.92 0.00 9.92 0.25 -4.98 116.55 111.52 2k2c n ASP 35 Ca 0.00 0.29 -0.28 0.00 -0.53 0.00 0.00 54.79 54.27 2k2c n ASP 35 Cb 0.00 -3.70 -0.03 0.00 -0.64 0.00 0.00 41.12 36.75 2k2c n ASP 35 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2k2c s LYS 36 N -2.86 3.56 -0.27 -1.24 1.02 -1.19 -4.79 119.74 113.97 2k2c s LYS 36 Ca 0.00 -0.23 -0.07 0.00 0.02 0.00 0.00 55.97 55.69 2k2c s LYS 36 Cb 0.00 -2.79 -0.01 0.00 -0.52 0.00 0.00 37.83 34.51 2k2c s LYS 36 CO 0.00 0.35 0.07 -0.51 -0.92 0.00 0.00 175.35 174.34 2k2c s LEU 37 N -3.35 3.57 -0.04 3.17 2.01 -1.26 -1.49 118.68 121.29 2k2c s LEU 37 Ca 0.40 -0.39 0.01 0.00 0.01 0.00 0.00 54.13 54.15 2k2c s LEU 37 Cb -0.11 -1.90 0.02 0.00 0.01 0.00 0.00 46.19 44.21 2k2c s LEU 37 CO 0.29 -0.09 -0.03 -0.31 1.01 0.00 0.00 176.35 177.22 2k2c s TYR 38 N 1.57 0.57 0.45 0.29 2.02 -0.98 -4.91 117.35 116.37 2k2c s TYR 38 Ca 0.05 -0.12 0.15 0.00 -0.37 0.00 0.00 57.07 56.78 2k2c s TYR 38 Cb -0.16 -0.57 1.10 0.00 -0.40 0.00 0.00 41.96 41.93 2k2c s TYR 38 CO 0.03 -0.17 1.99 1.15 -1.57 0.00 0.00 175.55 176.98 2k2c h THR 39 N 6.19 0.88 -4.06 -0.71 2.02 -1.85 0.77 112.91 116.14 2k2c h THR 39 Ca -0.39 -0.11 -0.48 0.00 0.77 0.00 0.00 66.41 66.20 2k2c h THR 39 Cb 1.14 0.53 -0.25 0.00 -1.74 0.00 0.00 68.15 67.84 2k2c h THR 39 CO 0.46 0.06 -0.80 0.00 0.37 0.00 0.00 175.52 175.61 2k2c h ARG 41 N 4.85 0.53 -0.01 0.00 -0.00 -1.87 -2.77 114.38 115.11 2k2c h ARG 41 Ca -0.40 -0.14 -0.13 0.00 -0.00 0.00 0.00 59.98 59.31 2k2c h ARG 41 Cb 1.18 -0.06 -0.02 0.00 -0.00 0.00 0.00 29.97 31.06 2k2c h ARG 41 CO 0.43 0.61 -0.63 1.37 -0.00 0.00 0.00 179.97 181.75 2k2c h LEU 42 N 0.49 0.03 -1.35 0.08 -0.00 -1.97 -3.17 115.31 109.42 2k2c h LEU 42 Ca 0.10 -0.02 -0.04 0.00 -0.00 0.00 0.00 57.88 57.92 2k2c h LEU 42 Cb 0.44 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.08 2k2c h LEU 42 CO 0.02 0.65 -0.19 0.00 -0.00 0.00 0.00 178.44 178.93 2k2c h HIS 44 N 0.00 0.12 -0.22 0.00 -0.00 -1.51 -3.24 115.15 110.30 2k2c h HIS 44 Ca -0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.35 2k2c h HIS 44 Cb 0.63 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.99 2k2c h HIS 44 CO 0.00 0.32 0.13 0.22 -0.00 0.00 0.00 177.93 178.60 2k2c h ASP 45 N -0.11 0.25 -0.81 3.26 3.58 -1.52 -2.06 116.42 119.01 2k2c h ASP 45 Ca 0.02 -0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.51 2k2c h ASP 45 Cb 0.26 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.20 2k2c h ASP 45 CO 0.00 0.19 0.53 -1.13 -2.88 0.00 0.00 179.24 175.96 2k2c h ASN 46 N 0.30 0.83 0.38 2.28 -1.24 -1.50 -2.98 115.58 113.64 2k2c h ASN 46 Ca 0.08 -0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.77 2k2c h ASN 46 Cb -0.01 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 38.84 2k2c h ASN 46 CO -0.02 0.56 -1.67 0.78 -1.29 0.00 0.00 177.43 175.80 2k2c h ASN 47 N 0.96 0.35 -0.66 1.15 2.35 -1.49 -3.49 115.58 114.75 2k2c h ASN 47 Ca 0.33 -0.57 -0.58 0.00 -0.55 0.00 0.00 56.30 54.93 2k2c h ASN 47 Cb 0.11 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.31 2k2c h ASN 47 CO -0.10 1.49 -0.33 -1.61 -1.65 0.00 0.00 177.43 175.23 2k2c s GLU 48 N -2.60 2.26 0.03 0.81 2.02 -0.90 -5.06 118.70 115.27 2k2c s GLU 48 Ca -0.11 -2.00 0.09 0.00 0.02 0.00 0.00 54.97 52.97 2k2c s GLU 48 Cb 0.07 -2.08 -0.22 0.00 0.10 0.00 0.00 34.13 31.99 2k2c s GLU 48 CO 0.83 -0.56 0.93 -0.44 0.02 0.00 0.00 175.26 176.04 2k2c h ASP 49 N 0.83 0.02 -2.72 -0.19 3.32 -1.89 -3.45 116.42 112.33 2k2c h ASP 49 Ca -0.38 -0.03 -0.58 0.00 0.02 0.00 0.00 57.03 56.07 2k2c h ASP 49 Cb 1.30 -0.01 -0.08 0.00 0.22 0.00 0.00 39.33 40.76 2k2c h ASP 49 CO 0.59 1.02 -0.59 -1.38 -1.72 0.00 0.00 179.24 177.16 2k2c s HIS 50 N -2.65 3.06 0.08 4.55 -3.43 -1.26 -5.10 115.29 110.54 2k2c s HIS 50 Ca -0.03 -0.06 -0.09 0.00 -0.80 0.00 0.00 55.06 54.09 2k2c s HIS 50 Cb 0.09 -1.46 -0.06 0.00 -1.43 0.00 0.00 32.58 29.72 2k2c s HIS 50 CO 0.82 0.52 0.38 1.14 -2.00 0.00 0.00 174.74 175.61 2k2c s GLN 51 N -3.10 3.71 -0.23 -0.38 -2.07 -1.26 -4.25 119.66 112.08 2k2c s GLN 51 Ca 0.30 0.10 -0.22 0.00 -1.82 0.00 0.00 55.36 53.72 2k2c s GLN 51 Cb -0.10 -2.98 -0.02 0.00 -1.09 0.00 0.00 33.01 28.83 2k2c s GLN 51 CO 0.22 0.55 0.70 -1.17 -1.32 0.00 0.00 175.29 174.28 2k2c s LEU 52 N -2.02 4.10 -0.08 2.60 0.20 -1.24 -4.99 118.68 117.25 2k2c s LEU 52 Ca 0.34 0.87 -0.20 0.00 0.69 0.00 0.00 54.13 55.83 2k2c s LEU 52 Cb -0.13 -2.99 -0.04 0.00 -0.43 0.00 0.00 46.19 42.59 2k2c s LEU 52 CO 0.19 -0.39 0.54 -0.62 -0.29 0.00 0.00 176.35 175.78 2k2c s ASP 53 N 1.34 6.81 0.00 3.68 -1.08 -1.26 -4.63 116.67 121.52 2k2c s ASP 53 Ca 0.30 0.96 0.17 0.00 -0.52 0.00 0.00 52.55 53.47 2k2c s ASP 53 Cb -0.16 -2.33 1.02 0.00 -1.46 0.00 0.00 42.92 39.99 2k2c s ASP 53 CO 0.09 0.01 1.42 -2.11 0.52 0.00 0.00 175.17 175.10 2k2c n ARG 54 N 3.46 0.56 0.02 4.34 0.00 -1.26 -1.27 116.66 122.51 2k2c n ARG 54 Ca -0.06 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.90 2k2c n ARG 54 Cb 0.51 -1.47 0.00 0.00 -0.00 0.00 0.00 32.46 31.51 2k2c n ARG 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2k2c n PHE 55 N -0.97 0.22 0.08 2.89 3.01 -1.26 -4.18 117.46 117.24 2k2c n PHE 55 Ca 0.13 0.07 -0.15 0.00 1.01 0.00 0.00 57.45 58.50 2k2c n PHE 55 Cb 0.06 -0.40 -0.07 0.00 -0.01 0.00 0.00 39.48 39.06 2k2c n PHE 55 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2k2c h LYS 56 N 0.00 0.42 -6.54 -1.08 1.79 -1.60 -3.44 116.57 106.12 2k2c h LYS 56 Ca 0.00 -0.50 -0.53 0.00 -2.18 0.00 0.00 60.65 57.44 2k2c h LYS 56 Cb 0.72 0.15 0.02 0.00 -1.58 0.00 0.00 32.23 31.54 2k2c h LYS 56 CO 0.00 1.16 0.66 0.14 -1.08 0.00 0.00 179.45 180.33 2k2c s VAL 57 N -3.14 3.55 -0.02 0.50 -7.23 -1.25 -4.64 120.40 108.18 2k2c s VAL 57 Ca -0.06 1.13 0.01 0.00 -1.81 0.00 0.00 61.98 61.25 2k2c s VAL 57 Cb 0.08 -3.72 -0.02 0.00 0.56 0.00 0.00 36.38 33.28 2k2c s VAL 57 CO 0.88 0.10 0.00 1.17 -0.31 0.00 0.00 175.10 176.94 2k2c n LYS 58 N 3.80 3.38 -3.75 4.82 3.00 -1.26 -4.96 118.16 123.20 2k2c n LYS 58 Ca 0.10 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.21 2k2c n LYS 58 Cb 0.44 -1.04 -0.03 0.00 0.00 0.00 0.00 35.03 34.40 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 -2.04 2.93 0.31 1.64 2.02 -1.26 -1.66 118.70 120.65 2k2c s GLU 59 Ca -0.01 -1.13 0.07 0.00 0.02 0.00 0.00 54.97 53.92 2k2c s GLU 59 Cb 0.00 -2.63 -0.03 0.00 0.10 0.00 0.00 34.13 31.58 2k2c s GLU 59 CO 0.06 0.15 0.27 1.33 0.02 0.00 0.00 175.26 177.09 2k2c n VAL 60 N -1.44 0.00 -3.95 2.63 0.24 -0.17 -1.62 118.33 114.02 2k2c n VAL 60 Ca -0.03 -2.29 -0.17 0.00 -2.04 0.00 0.00 64.34 59.81 2k2c n VAL 60 Cb 0.59 1.15 -0.16 0.00 -1.47 0.00 0.00 33.84 33.95 2k2c n VAL 60 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2k2c s GLN 61 N -3.27 0.33 -0.24 7.34 -0.44 -1.07 -2.61 119.66 119.70 2k2c s GLN 61 Ca 0.38 0.05 -0.29 0.00 -2.50 0.00 0.00 55.36 52.99 2k2c s GLN 61 Cb 0.02 -0.48 0.01 0.00 -1.64 0.00 0.00 33.01 30.91 2k2c s GLN 61 CO 0.27 -0.11 1.11 0.00 0.50 0.00 0.00 175.29 177.05 2k2c h ILE 63 N 5.55 1.31 -1.21 0.00 2.04 -1.82 0.22 117.51 123.60 2k2c h ILE 63 Ca -0.21 -1.79 -0.73 0.00 1.00 0.00 0.00 64.86 63.13 2k2c h ILE 63 Cb 1.07 1.74 -0.12 0.00 -0.74 0.00 0.00 36.82 38.77 2k2c h ILE 63 CO 0.99 0.56 2.11 -3.20 0.00 0.00 0.00 178.15 178.61 2k2c n ASN 64 N -3.97 4.84 0.00 1.72 5.15 -1.26 -3.35 115.26 118.39 2k2c n ASN 64 Ca -0.04 -2.98 0.00 0.00 -0.60 0.00 0.00 54.58 50.96 2k2c n ASN 64 Cb 0.61 -1.60 0.00 0.00 -0.53 0.00 0.00 39.78 38.27 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 0.00 -1.22 -2.36 0.00 1.02 0.77 -4.95 120.64 113.90 2k2c n GLU 66 Ca 0.00 1.02 -0.42 0.00 -0.02 0.00 0.00 57.16 57.74 2k2c n GLU 66 Cb 0.00 -5.29 -0.03 0.00 -0.02 0.00 0.00 31.44 26.10 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 -3.80 4.39 -0.17 3.49 2.20 -1.17 -4.79 119.74 119.89 2k2c s LYS 67 Ca 0.00 1.84 -0.24 0.00 -0.36 0.00 0.00 55.97 57.21 2k2c s LYS 67 Cb 0.00 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.95 2k2c s LYS 67 CO 0.00 -0.33 0.78 0.42 -0.36 0.00 0.00 175.35 175.86 2k2c s ILE 68 N 1.22 4.92 0.26 5.43 -1.09 -1.26 -1.84 121.20 128.84 2k2c s ILE 68 Ca 0.60 1.52 -0.14 0.00 -2.23 0.00 0.00 60.65 60.40 2k2c s ILE 68 Cb -0.31 -4.09 0.00 0.00 -1.58 0.00 0.00 42.46 36.49 2k2c s ILE 68 CO 0.29 0.06 0.54 0.00 -1.23 0.00 0.00 174.94 174.60 2k2c s GLN 69 N 2.02 1.65 0.77 2.79 -2.07 -1.07 -5.05 119.66 118.70 2k2c s GLN 69 Ca 0.36 -1.23 -0.11 0.00 -1.82 0.00 0.00 55.36 52.56 2k2c s GLN 69 Cb -0.16 0.51 0.06 0.00 -1.09 0.00 0.00 33.01 32.32 2k2c s GLN 69 CO 0.12 -0.71 1.09 -1.01 -1.32 0.00 0.00 175.29 173.47 2k2c s HIS 70 N -3.88 2.94 0.06 9.60 3.76 -1.26 -1.00 115.29 125.51 2k2c s HIS 70 Ca 0.20 1.15 -0.33 0.00 -0.15 0.00 0.00 55.06 55.92 2k2c s HIS 70 Cb -0.02 -3.10 -0.12 0.00 1.11 0.00 0.00 32.58 30.45 2k2c s HIS 70 CO 0.09 -1.63 1.75 0.00 -0.85 0.00 0.00 174.74 174.10 2k2c n ALA 71 N -3.34 1.41 -3.45 -1.40 0.00 -0.66 -4.46 120.51 108.61 2k2c n ALA 71 Ca 0.07 0.35 -0.14 0.00 0.00 0.00 0.00 53.44 53.73 2k2c n ALA 71 Cb 0.56 -2.47 -0.03 0.00 0.00 0.00 0.00 19.45 17.51 2k2c n ALA 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2k2c s GLN 72 N 2.50 1.20 0.07 0.00 0.74 -1.26 -5.03 119.66 117.88 2k2c s GLN 72 Ca 0.84 -0.23 0.02 0.00 0.05 0.00 0.00 55.36 56.04 2k2c s GLN 72 Cb -0.63 0.56 -0.25 0.00 1.10 0.00 0.00 33.01 33.79 2k2c s GLN 72 CO 0.42 -0.48 1.11 0.37 -0.55 0.00 0.00 175.29 176.17 2k2c h GLN 73 N 2.32 0.13 -3.63 1.67 4.15 -1.95 -3.46 115.11 114.34 2k2c h GLN 73 Ca -0.32 -0.23 -0.24 0.00 0.77 0.00 0.00 58.65 58.64 2k2c h GLN 73 Cb 1.25 0.08 -0.29 0.00 0.21 0.00 0.00 27.48 28.74 2k2c h GLN 73 CO 0.38 1.05 -0.70 0.99 -1.93 0.00 0.00 178.83 178.62 2k2c s THR 74 N -2.67 -0.02 -0.45 2.39 2.01 -1.26 -1.11 115.64 114.53 2k2c s THR 74 Ca -0.03 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 61.74 2k2c s THR 74 Cb 0.08 -0.05 0.01 0.00 0.01 0.00 0.00 72.50 72.56 2k2c s THR 74 CO 0.85 0.02 1.36 0.00 -0.69 0.00 0.00 174.62 176.16 2k2c h GLU 76 N 10.48 0.00 0.00 0.00 9.09 -1.97 0.38 114.58 132.57 2k2c h GLU 76 Ca -0.27 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.03 2k2c h GLU 76 Cb 1.09 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.18 2k2c h GLU 76 CO 1.11 0.00 -0.53 1.49 0.05 0.00 0.00 179.01 181.13 2k2c h GLU 77 N 0.00 0.00 0.00 1.06 4.57 -1.99 -3.40 114.58 114.82 2k2c h GLU 77 Ca 0.11 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2k2c h GLU 77 Cb 0.62 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 2k2c h GLU 77 CO -0.00 0.53 -0.01 0.00 -1.18 0.00 0.00 179.01 178.35 2k2c n SER 79 N 0.00 -5.64 -4.60 0.00 7.64 0.13 -4.95 113.62 106.20 2k2c n SER 79 Ca 0.00 -0.07 -0.43 0.00 1.01 0.00 0.00 58.87 59.38 2k2c n SER 79 Cb 0.50 -4.64 -0.02 0.00 -1.01 0.00 0.00 64.21 59.04 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 -3.01 3.84 -0.49 0.44 2.01 -1.22 -4.80 115.64 112.41 2k2c s THR 80 Ca 0.06 0.84 -0.28 0.00 0.31 0.00 0.00 61.69 62.61 2k2c s THR 80 Cb -0.03 -4.17 0.01 0.00 0.01 0.00 0.00 72.50 68.32 2k2c s THR 80 CO 0.07 -0.77 1.47 -0.22 -0.69 0.00 0.00 174.62 174.48 2k2c s LEU 81 N 5.71 3.48 0.51 4.42 2.96 -1.26 -1.46 118.68 133.04 2k2c s LEU 81 Ca 0.62 0.58 0.22 0.00 -0.22 0.00 0.00 54.13 55.33 2k2c s LEU 81 Cb -0.14 -3.25 1.36 0.00 0.50 0.00 0.00 46.19 44.66 2k2c s LEU 81 CO 0.32 -1.64 2.10 -0.26 -1.32 0.00 0.00 176.35 175.55 2k2c h PHE 82 N 11.29 0.00 -1.10 5.38 -1.00 -1.38 -3.34 116.94 126.79 2k2c h PHE 82 Ca -0.27 0.00 0.26 0.00 2.81 0.00 0.00 57.97 60.76 2k2c h PHE 82 Cb 1.11 0.00 -0.25 0.00 3.61 0.00 0.00 35.95 40.41 2k2c h PHE 82 CO 1.00 0.09 0.94 0.20 -1.61 0.00 0.00 178.31 178.93 2k2c s GLY 83 N -4.15 -0.01 0.08 -1.45 0.00 -1.26 -1.64 107.32 98.89 2k2c s GLY 83 Ca -0.04 2.52 -0.20 0.00 0.00 0.00 0.00 44.72 47.00 2k2c s GLY 83 CO 0.63 0.96 1.55 0.83 0.00 0.00 0.00 173.10 177.07 2k2c h GLU 84 N 2.06 0.31 -5.97 2.90 4.39 -1.83 -3.42 114.58 113.01 2k2c h GLU 84 Ca -0.07 -0.08 -0.58 0.00 0.34 0.00 0.00 59.36 58.97 2k2c h GLU 84 Cb 1.17 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.72 2k2c h GLU 84 CO 0.22 0.46 -0.08 -0.47 -1.16 0.00 0.00 179.01 177.97 2k2c s TYR 85 N -5.21 3.64 0.06 4.33 6.14 -0.42 -4.83 117.35 121.06 2k2c s TYR 85 Ca -0.14 1.08 0.05 0.00 0.64 0.00 0.00 57.07 58.70 2k2c s TYR 85 Cb 0.07 -2.54 -0.03 0.00 0.42 0.00 0.00 41.96 39.88 2k2c s TYR 85 CO 0.72 0.35 -0.13 1.52 0.64 0.00 0.00 175.55 178.65 2k2c s TYR 86 N -0.11 1.14 -0.30 4.97 1.13 -1.26 -1.91 117.35 121.00 2k2c s TYR 86 Ca 0.28 -0.43 -0.10 0.00 -1.41 0.00 0.00 57.07 55.42 2k2c s TYR 86 Cb -0.17 -0.65 0.17 0.00 -1.10 0.00 0.00 41.96 40.21 2k2c s TYR 86 CO 0.15 0.03 0.85 0.00 -2.51 0.00 0.00 175.55 174.07 2k2c h ASP 88 N 7.87 0.07 -0.70 0.00 3.58 -1.96 -1.40 116.42 123.87 2k2c h ASP 88 Ca -0.17 -0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.21 2k2c h ASP 88 Cb 1.15 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 42.14 2k2c h ASP 88 CO 0.08 1.07 0.45 0.40 -2.88 0.00 0.00 179.24 178.36 2k2c h ILE 89 N 0.01 1.15 -0.00 2.25 2.04 -1.96 -1.88 117.51 119.12 2k2c h ILE 89 Ca -0.10 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.45 2k2c h ILE 89 Cb 1.86 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 2k2c h ILE 89 CO 0.13 0.17 -0.45 0.00 0.00 0.00 0.00 178.15 177.99 2k2c n HIS 91 N -1.42 -1.68 -4.11 0.00 8.25 -0.71 -4.80 115.22 110.75 2k2c n HIS 91 Ca 0.06 0.58 -0.25 0.00 -0.26 0.00 0.00 57.72 57.86 2k2c n HIS 91 Cb 0.34 -3.51 -0.17 0.00 1.12 0.00 0.00 29.99 27.77 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 -6.88 1.25 -0.24 2.41 0.05 -0.61 -5.02 118.68 109.63 2k2c s LEU 92 Ca 0.20 -0.24 0.00 0.00 0.05 0.00 0.00 54.13 54.14 2k2c s LEU 92 Cb -0.08 -0.71 0.06 0.00 -2.05 0.00 0.00 46.19 43.41 2k2c s LEU 92 CO 0.89 -0.08 -0.03 -0.36 -0.55 0.00 0.00 176.35 176.23 2k2c s PHE 93 N 1.34 2.20 0.19 3.48 0.08 -1.26 -1.91 117.98 122.09 2k2c s PHE 93 Ca -0.03 -1.66 -0.13 0.00 0.12 0.00 0.00 56.93 55.23 2k2c s PHE 93 Cb -0.14 -1.55 0.01 0.00 -0.57 0.00 0.00 43.02 40.77 2k2c s PHE 93 CO -0.03 -0.76 0.42 0.16 -0.10 0.00 0.00 175.22 174.90 2k2c s ASP 94 N 1.46 -0.11 0.63 1.36 -4.77 -0.80 -4.34 116.67 110.09 2k2c s ASP 94 Ca -0.04 -0.72 -0.18 0.00 -3.30 0.00 0.00 52.55 48.31 2k2c s ASP 94 Cb -0.18 0.52 -0.02 0.00 -1.09 0.00 0.00 42.92 42.15 2k2c s ASP 94 CO -0.08 -1.01 1.25 -0.54 0.70 0.00 0.00 175.17 175.49 2k2c s LYS 95 N -3.94 2.74 -0.44 2.11 1.02 -0.58 -1.29 119.74 119.35 2k2c s LYS 95 Ca 0.15 1.93 -0.26 0.00 0.02 0.00 0.00 55.97 57.80 2k2c s LYS 95 Cb 0.01 -1.89 0.02 0.00 -0.52 0.00 0.00 37.83 35.46 2k2c s LYS 95 CO 0.01 -1.42 0.96 0.34 -0.92 0.00 0.00 175.35 174.32 2k2c s ASP 96 N -1.53 6.56 -0.78 2.83 2.15 -1.26 -4.61 116.67 120.02 2k2c s ASP 96 Ca 0.80 0.28 0.02 0.00 0.43 0.00 0.00 52.55 54.08 2k2c s ASP 96 Cb -0.33 -2.47 0.34 0.00 -0.30 0.00 0.00 42.92 40.15 2k2c s ASP 96 CO 0.37 -1.04 1.42 0.29 -0.17 0.00 0.00 175.17 176.04 2k2c n LYS 97 N 7.19 4.16 -1.70 4.34 4.01 -1.26 -4.80 118.16 130.11 2k2c n LYS 97 Ca 0.07 -4.65 -0.12 0.00 -0.51 0.00 0.00 58.31 53.10 2k2c n LYS 97 Cb 0.48 -2.34 -0.03 0.00 -0.51 0.00 0.00 35.03 32.63 2k2c n LYS 97 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2k2c n LYS 98 N -0.21 -0.89 -2.23 1.97 4.76 -1.26 -4.01 118.16 116.29 2k2c n LYS 98 Ca 0.40 0.79 -0.38 0.00 -2.87 0.00 0.00 58.31 56.26 2k2c n LYS 98 Cb 0.34 -4.87 -0.01 0.00 -1.84 0.00 0.00 35.03 28.65 2k2c n LYS 98 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2k2c s GLN 99 N -3.64 3.92 -0.08 1.97 0.74 -1.26 -3.49 119.66 117.82 2k2c s GLN 99 Ca 0.00 1.87 -0.05 0.00 0.05 0.00 0.00 55.36 57.23 2k2c s GLN 99 Cb 0.00 -2.59 0.03 0.00 1.10 0.00 0.00 33.01 31.56 2k2c s GLN 99 CO 0.00 -0.45 0.19 1.52 -0.55 0.00 0.00 175.29 176.01 2k2c s TYR 100 N -1.43 -0.23 -0.71 1.67 1.13 -1.25 -4.97 117.35 111.55 2k2c s TYR 100 Ca 0.60 0.58 -0.26 0.00 -1.41 0.00 0.00 57.07 56.58 2k2c s TYR 100 Cb -0.31 0.01 0.04 0.00 -1.10 0.00 0.00 41.96 40.61 2k2c s TYR 100 CO 0.39 -0.16 1.18 -1.58 -2.51 0.00 0.00 175.55 172.87 2k2c s HIS 101 N 0.79 2.41 -0.41 -3.49 2.46 -1.26 -4.15 115.29 111.64 2k2c s HIS 101 Ca -0.06 -0.21 -0.29 0.00 0.47 0.00 0.00 55.06 54.97 2k2c s HIS 101 Cb -0.07 -4.52 0.01 0.00 -0.13 0.00 0.00 32.58 27.87 2k2c s HIS 101 CO -0.04 -1.94 1.37 0.00 -2.47 0.00 0.00 174.74 171.66 2k2c h GLU 103 N 10.44 0.94 -0.10 0.00 5.08 -1.94 0.66 114.58 129.65 2k2c h GLU 103 Ca -0.27 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 57.99 2k2c h GLU 103 Cb 1.10 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 2k2c h GLU 103 CO 1.09 0.62 -0.11 -0.91 -1.00 0.00 0.00 179.01 178.70 2k2c h ASN 104 N 0.97 0.27 0.87 1.42 -0.26 -1.94 -2.67 115.58 114.23 2k2c h ASN 104 Ca 0.29 -0.50 -0.03 0.00 -0.56 0.00 0.00 56.30 55.50 2k2c h ASN 104 Cb -0.03 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.15 2k2c h ASN 104 CO -0.07 0.71 -0.15 0.00 -1.06 0.00 0.00 177.43 176.86 2k2c n GLY 106 N -0.01 0.49 3.24 0.00 0.00 0.20 -5.01 105.19 104.11 2k2c n GLY 106 Ca -0.00 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 0.00 -0.03 -0.61 -4.36 -1.10 -4.91 121.20 108.20 2k2c s ILE 107 Ca 0.00 -1.94 0.02 0.00 -0.26 0.00 0.00 60.65 58.46 2k2c s ILE 107 Cb 0.00 -2.47 0.01 0.00 1.25 0.00 0.00 42.46 41.24 2k2c s ILE 107 CO 0.00 0.00 -0.07 0.00 0.24 0.00 0.00 174.94 175.11 2k2c s ARG 109 N 0.34 1.24 -0.55 0.00 0.52 -1.26 -4.99 118.95 114.25 2k2c s ARG 109 Ca -0.05 -1.66 -0.27 0.00 -0.52 0.00 0.00 55.73 53.24 2k2c s ARG 109 Cb -0.09 0.25 -0.02 0.00 0.52 0.00 0.00 34.95 35.61 2k2c s ARG 109 CO 0.00 -0.40 1.83 0.42 0.02 0.00 0.00 175.30 177.17 2k2c s ILE 110 N -4.10 3.40 -0.30 1.52 -1.09 -1.26 -3.97 121.20 115.40 2k2c s ILE 110 Ca 0.39 0.29 -0.04 0.00 -2.23 0.00 0.00 60.65 59.06 2k2c s ILE 110 Cb 0.07 -3.90 0.18 0.00 -1.58 0.00 0.00 42.46 37.23 2k2c s ILE 110 CO 0.13 -0.81 0.68 -0.83 -1.23 0.00 0.00 174.94 172.88 2k2c s GLY 111 N 7.54 -0.86 -0.00 6.18 0.00 -1.26 -4.99 107.32 113.92 2k2c s GLY 111 Ca 0.69 2.05 -0.30 0.00 0.00 0.00 0.00 44.72 47.16 2k2c s GLY 111 CO 0.24 3.43 1.73 2.56 0.00 0.00 0.00 173.10 181.06 2k2c s PRO 112 N 2.87 4.18 0.58 2.90 0.04 -1.24 -4.13 135.00 140.19 2k2c s PRO 112 Ca 0.15 2.33 0.32 0.00 0.04 0.00 0.00 61.00 63.84 2k2c s PRO 112 Cb -0.14 -3.94 1.77 0.00 0.04 0.00 0.00 34.50 32.22 2k2c s PRO 112 CO -0.19 -0.85 2.19 1.57 0.04 0.00 0.00 177.00 179.76 2k2c h LYS 113 N 9.53 0.00 -0.24 4.56 2.10 -1.83 -0.56 116.57 130.13 2k2c h LYS 113 Ca -0.43 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.09 2k2c h LYS 113 Cb 1.20 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 2k2c h LYS 113 CO 0.95 0.05 -0.43 1.05 -2.00 0.00 0.00 179.45 179.07 2k2c h GLU 114 N 0.00 0.59 -0.00 0.07 4.11 -1.91 -3.27 114.58 114.16 2k2c h GLU 114 Ca -0.00 -0.31 0.00 0.00 0.07 0.00 0.00 59.36 59.12 2k2c h GLU 114 Cb 0.18 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2k2c h GLU 114 CO 0.01 0.90 -0.44 -0.25 0.07 0.00 0.00 179.01 179.30 2k2c n ASP 115 N -4.02 0.62 -4.09 3.06 9.92 -0.28 -4.88 116.55 116.89 2k2c n ASP 115 Ca -0.02 -0.40 -0.22 0.00 -0.53 0.00 0.00 54.79 53.63 2k2c n ASP 115 Cb 0.53 0.22 -0.15 0.00 -0.64 0.00 0.00 41.12 41.09 2k2c n ASP 115 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2k2c s PHE 116 N -2.88 1.17 0.02 1.24 0.08 -0.84 -0.80 117.98 115.96 2k2c s PHE 116 Ca 0.14 -0.23 0.03 0.00 0.12 0.00 0.00 56.93 56.99 2k2c s PHE 116 Cb 0.18 -0.76 -0.01 0.00 -0.57 0.00 0.00 43.02 41.86 2k2c s PHE 116 CO 0.66 -0.03 -0.10 -0.59 -0.10 0.00 0.00 175.22 175.06 2k2c s PHE 117 N -0.26 0.87 0.21 0.36 -0.71 -0.67 -4.68 117.98 113.10 2k2c s PHE 117 Ca 0.04 -0.28 -0.18 0.00 -1.04 0.00 0.00 56.93 55.47 2k2c s PHE 117 Cb -0.05 -0.53 -0.08 0.00 -1.21 0.00 0.00 43.02 41.14 2k2c s PHE 117 CO -0.00 -0.01 0.69 -1.58 -1.34 0.00 0.00 175.22 172.98 2k2c s HIS 118 N -0.65 3.63 -0.06 3.49 2.46 -1.26 -0.90 115.29 122.00 2k2c s HIS 118 Ca -0.00 1.32 0.02 0.00 0.47 0.00 0.00 55.06 56.86 2k2c s HIS 118 Cb -0.06 -2.57 -0.03 0.00 -0.13 0.00 0.00 32.58 29.79 2k2c s HIS 118 CO 0.00 0.34 -0.09 0.00 -2.47 0.00 0.00 174.74 172.53 2k2c h LEU 120 N 5.29 1.00 -8.90 0.00 3.38 -1.98 -3.41 115.31 110.69 2k2c h LEU 120 Ca -0.48 -0.04 -0.69 0.00 0.09 0.00 0.00 57.88 56.76 2k2c h LEU 120 Cb 1.17 -0.25 -0.23 0.00 0.09 0.00 0.00 40.66 41.43 2k2c h LEU 120 CO 0.52 0.74 -0.77 -0.75 0.09 0.00 0.00 178.44 178.27 2k2c s LYS 121 N -5.91 2.51 -0.01 1.13 2.47 -1.26 -4.88 119.74 113.80 2k2c s LYS 121 Ca -0.12 -0.70 -0.01 0.00 -1.56 0.00 0.00 55.97 53.58 2k2c s LYS 121 Cb 0.18 -2.38 0.00 0.00 -1.46 0.00 0.00 37.83 34.17 2k2c s LYS 121 CO 0.80 0.61 0.02 0.00 0.16 0.00 0.00 175.35 176.95 2k2c n ASN 123 N 0.76 0.04 -4.76 0.00 5.15 -1.26 -4.40 115.26 110.79 2k2c n ASN 123 Ca -0.03 -1.64 -0.40 0.00 -0.60 0.00 0.00 54.58 51.91 2k2c n ASN 123 Cb 0.05 -0.02 -0.06 0.00 -0.53 0.00 0.00 39.78 39.22 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 -0.95 4.61 -0.44 1.20 2.96 -1.26 -4.48 118.68 120.31 2k2c s LEU 124 Ca 0.00 1.81 -0.26 0.00 -0.22 0.00 0.00 54.13 55.46 2k2c s LEU 124 Cb 0.00 -3.49 0.03 0.00 0.50 0.00 0.00 46.19 43.22 2k2c s LEU 124 CO 0.00 0.14 0.98 0.00 -1.32 0.00 0.00 176.35 176.15 2k2c s LEU 126 N 3.86 3.88 0.59 0.00 2.01 -0.07 -4.81 118.68 124.13 2k2c s LEU 126 Ca 0.40 1.64 -0.16 0.00 0.01 0.00 0.00 54.13 56.02 2k2c s LEU 126 Cb -0.10 -4.51 -0.04 0.00 0.01 0.00 0.00 46.19 41.56 2k2c s LEU 126 CO 0.26 -0.40 1.05 0.00 1.01 0.00 0.00 176.35 178.26 2k2c s ALA 127 N -2.27 2.78 0.41 4.21 0.00 -1.26 -1.67 121.76 123.96 2k2c s ALA 127 Ca 0.61 0.35 0.16 0.00 0.00 0.00 0.00 51.96 53.07 2k2c s ALA 127 Cb -0.09 -3.21 0.96 0.00 0.00 0.00 0.00 23.12 20.77 2k2c s ALA 127 CO 0.17 -0.76 1.94 1.98 0.00 0.00 0.00 175.76 179.09 2k2c h MET 128 N 0.43 0.00 0.00 0.00 4.05 -1.32 -1.98 114.93 116.11 2k2c h MET 128 Ca -0.47 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 58.76 2k2c h MET 128 Cb 1.22 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.99 2k2c h MET 128 CO 0.58 0.25 -0.94 -0.91 0.23 0.00 0.00 176.91 176.12 2k2c h ASN 129 N 0.00 0.00 -0.19 1.39 4.21 -1.93 -3.22 115.58 115.83 2k2c h ASN 129 Ca -0.00 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.45 2k2c h ASN 129 Cb 0.46 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.64 2k2c h ASN 129 CO 0.03 0.93 -0.04 0.25 -1.29 0.00 0.00 177.43 177.32 2k2c h LEU 130 N 0.00 0.48 0.00 1.61 7.12 -1.75 -3.46 115.31 119.31 2k2c h LEU 130 Ca -0.01 -0.10 0.00 0.00 0.13 0.00 0.00 57.88 57.90 2k2c h LEU 130 Cb 1.72 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 41.73 2k2c h LEU 130 CO 0.12 0.57 0.00 0.00 -0.13 0.00 0.00 178.44 179.00 2k2c n GLN 131 N -4.26 0.00 -0.75 1.25 10.64 -0.96 -2.03 117.38 121.27 2k2c n GLN 131 Ca 0.01 0.00 0.04 0.00 -1.83 0.00 0.00 57.00 55.22 2k2c n GLN 131 Cb 0.26 0.00 0.07 0.00 -0.86 0.00 0.00 30.24 29.71 2k2c n GLN 131 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k2c n GLY 132 N 0.00 2.29 3.34 2.61 0.00 -1.26 -4.95 105.19 107.22 2k2c n GLY 132 Ca 0.00 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.31 3.38 -3.63 1.61 3.00 -0.86 -4.88 116.66 114.97 2k2c n ARG 133 Ca 0.08 -3.66 -0.11 0.00 -0.01 0.00 0.00 57.85 54.15 2k2c n ARG 133 Cb 0.83 -3.09 -0.07 0.00 0.00 0.00 0.00 32.46 30.13 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 1.76 -0.57 -1.22 -1.55 -3.43 -1.26 -5.09 115.29 103.93 2k2c s HIS 134 Ca 0.44 1.37 -0.20 0.00 -0.80 0.00 0.00 55.06 55.88 2k2c s HIS 134 Cb 0.01 0.34 0.05 0.00 -1.43 0.00 0.00 32.58 31.56 2k2c s HIS 134 CO 0.01 -0.30 1.68 0.15 -2.00 0.00 0.00 174.74 174.29 2k2c s LYS 135 N 0.16 3.78 -0.04 -0.38 3.01 -1.26 -4.44 119.74 120.57 2k2c s LYS 135 Ca 0.01 -1.70 0.06 0.00 -1.01 0.00 0.00 55.97 53.34 2k2c s LYS 135 Cb -0.05 -5.47 0.11 0.00 -1.01 0.00 0.00 37.83 31.41 2k2c s LYS 135 CO -0.03 -2.36 1.05 0.00 0.51 0.00 0.00 175.35 174.52