#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 2.84 -0.14 3.04 0.00 -1.26 -5.10 121.76 121.15 2k2c s ALA 2 Ca 0.00 -1.18 -0.06 0.00 0.00 0.00 0.00 51.96 50.72 2k2c s ALA 2 Cb 0.00 -1.74 0.06 0.00 0.00 0.00 0.00 23.12 21.44 2k2c s ALA 2 CO 0.00 -0.45 0.31 0.00 0.00 0.00 0.00 175.76 175.62 2k2c s ALA 3 N 1.48 -0.75 0.01 0.00 0.00 -1.26 -5.17 121.76 116.09 2k2c s ALA 3 Ca 0.06 1.17 -0.26 0.00 0.00 0.00 0.00 51.96 52.93 2k2c s ALA 3 Cb -0.14 -0.87 0.06 0.00 0.00 0.00 0.00 23.12 22.16 2k2c s ALA 3 CO -0.03 -0.38 0.59 -0.08 0.00 0.00 0.00 175.76 175.86 2k2c s THR 4 N 1.71 0.01 -0.36 0.00 -1.32 -1.26 -5.14 115.64 109.28 2k2c s THR 4 Ca -0.06 -0.12 0.04 0.00 -1.21 0.00 0.00 61.69 60.34 2k2c s THR 4 Cb -0.10 -0.96 0.16 0.00 -1.51 0.00 0.00 72.50 70.09 2k2c s THR 4 CO -0.10 -0.07 0.45 0.00 -2.21 0.00 0.00 174.62 172.69 2k2c s ALA 5 N -1.98 -1.11 -0.32 11.08 0.00 -1.26 -5.13 121.76 123.04 2k2c s ALA 5 Ca -0.08 -0.39 -0.29 0.00 0.00 0.00 0.00 51.96 51.20 2k2c s ALA 5 Cb -0.01 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.88 2k2c s ALA 5 CO 0.02 -2.07 1.34 0.50 0.00 0.00 0.00 175.76 175.56 2k2c s ARG 6 N 1.80 3.83 0.11 0.00 3.52 -1.26 -4.99 118.95 121.96 2k2c s ARG 6 Ca 0.15 1.19 -0.18 0.00 -0.13 0.00 0.00 55.73 56.77 2k2c s ARG 6 Cb -0.12 -3.92 0.04 0.00 -1.56 0.00 0.00 34.95 29.39 2k2c s ARG 6 CO -0.11 -1.23 0.44 -1.83 -0.81 0.00 0.00 175.30 171.75 2k2c s GLU 7 N 4.37 1.07 -0.02 5.12 -1.05 -1.26 -5.19 118.70 121.74 2k2c s GLU 7 Ca 0.58 -0.58 -0.29 0.00 -0.15 0.00 0.00 54.97 54.52 2k2c s GLU 7 Cb -0.16 0.47 0.08 0.00 -0.44 0.00 0.00 34.13 34.08 2k2c s GLU 7 CO 0.26 -0.41 0.71 0.34 0.95 0.00 0.00 175.26 177.10 2k2c s ASP 8 N -2.60 -0.60 -0.44 0.83 2.15 -1.26 -5.07 116.67 109.68 2k2c s ASP 8 Ca 0.01 0.53 0.04 0.00 0.43 0.00 0.00 52.55 53.56 2k2c s ASP 8 Cb 0.01 0.52 0.67 0.00 -0.30 0.00 0.00 42.92 43.81 2k2c s ASP 8 CO -0.10 -0.65 1.90 0.61 -0.17 0.00 0.00 175.17 176.76 2k2c n GLY 9 N 0.61 4.48 3.63 2.66 0.00 -1.26 -4.96 105.19 110.36 2k2c n GLY 9 Ca -0.17 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 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 -3.28 3.35 -0.06 4.61 0.00 -1.26 -4.94 121.76 120.17 2k2c s ALA 10 Ca 0.56 0.35 -0.13 0.00 0.00 0.00 0.00 51.96 52.74 2k2c s ALA 10 Cb 0.48 -3.80 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 2k2c s ALA 10 CO 0.11 -1.81 0.52 1.15 0.00 0.00 0.00 175.76 175.73 2k2c h THR 11 N 6.01 0.31 0.00 0.00 2.02 -2.09 -3.51 112.91 115.66 2k2c h THR 11 Ca -0.30 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 65.93 2k2c h THR 11 Cb 1.13 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2k2c h THR 11 CO 1.01 0.09 0.00 0.61 0.37 0.00 0.00 175.52 177.60 2k2c n GLY 12 N 0.90 -1.65 3.74 2.16 0.00 -1.26 -5.02 105.19 104.06 2k2c n GLY 12 Ca -0.05 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.84 2k2c n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k2c n GLU 13 N -0.04 0.00 -0.02 1.61 4.71 -1.26 -4.83 120.64 120.81 2k2c n GLU 13 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.11 2k2c n GLU 13 Cb 0.00 -3.61 -0.04 0.00 -1.01 0.00 0.00 31.44 26.78 2k2c n GLU 13 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 2k2c h GLU 14 N 1.07 -0.07 -0.98 3.49 4.81 -1.99 -3.29 114.58 117.61 2k2c h GLU 14 Ca 0.00 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.57 2k2c h GLU 14 Cb 0.00 0.02 -0.30 0.00 0.63 0.00 0.00 28.75 29.10 2k2c h GLU 14 CO 0.00 0.17 0.78 0.54 -0.73 0.00 0.00 179.01 179.78 2k2c n ARG 15 N -4.79 2.70 0.05 1.92 3.00 -1.26 -4.75 116.66 113.52 2k2c n ARG 15 Ca -0.03 -3.31 0.01 0.00 -0.01 0.00 0.00 57.85 54.51 2k2c n ARG 15 Cb 0.13 -2.28 0.34 0.00 0.00 0.00 0.00 32.46 30.66 2k2c n ARG 15 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2k2c h GLY 16 N 1.94 0.45 -2.38 -0.13 0.00 -1.93 -3.43 103.07 97.58 2k2c h GLY 16 Ca 0.60 -0.26 -0.46 0.00 0.00 0.00 0.00 47.33 47.21 2k2c h GLY 16 CO 1.52 0.24 -0.34 -0.86 0.00 0.00 0.00 176.54 177.10 2k2c s GLN 17 N -4.92 2.73 -0.39 4.80 -2.07 -1.26 -5.02 119.66 113.53 2k2c s GLN 17 Ca -0.07 -1.34 0.01 0.00 -1.82 0.00 0.00 55.36 52.14 2k2c s GLN 17 Cb 0.16 -2.57 0.13 0.00 -1.09 0.00 0.00 33.01 29.63 2k2c s GLN 17 CO 0.75 -0.16 0.20 -0.98 -1.32 0.00 0.00 175.29 173.78 2k2c s ARG 18 N -4.20 0.99 0.00 9.60 3.03 -1.26 -4.81 118.95 122.31 2k2c s ARG 18 Ca 0.49 -1.64 0.00 0.00 2.03 0.00 0.00 55.73 56.61 2k2c s ARG 18 Cb -0.07 -2.03 0.00 0.00 -1.03 0.00 0.00 34.95 31.82 2k2c s ARG 18 CO 0.30 -1.13 0.00 0.41 -1.13 0.00 0.00 175.30 173.75 2k2c n GLY 19 N 3.96 0.11 2.99 3.88 0.00 -1.10 -4.18 105.19 110.85 2k2c n GLY 19 Ca 0.07 -1.35 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 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 4.50 0.00 0.00 0.00 9.09 -2.02 -2.43 114.58 123.72 2k2c h GLU 21 Ca -0.32 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.08 2k2c h GLU 21 Cb 1.20 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.30 2k2c h GLU 21 CO 0.43 0.00 -0.06 0.45 0.05 0.00 0.00 179.01 179.88 2k2c h HIS 22 N 0.00 0.00 -3.25 2.06 3.86 -2.00 -3.46 115.15 112.36 2k2c h HIS 22 Ca 0.00 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 2k2c h HIS 22 Cb 0.09 0.00 -0.37 0.00 1.06 0.00 0.00 27.41 28.19 2k2c h HIS 22 CO 0.00 0.53 -0.81 0.71 0.86 0.00 0.00 177.93 179.22 2k2c s TYR 23 N -1.92 1.85 -1.03 2.45 2.02 -0.92 -5.07 117.35 114.73 2k2c s TYR 23 Ca -0.10 -1.09 -0.21 0.00 -0.37 0.00 0.00 57.07 55.30 2k2c s TYR 23 Cb -0.01 -1.40 0.08 0.00 -0.40 0.00 0.00 41.96 40.22 2k2c s TYR 23 CO 0.36 -0.62 1.40 -0.51 -1.57 0.00 0.00 175.55 174.61 2k2c s ASP 24 N 1.59 6.59 -0.03 2.29 1.11 -1.23 -1.65 116.67 125.34 2k2c s ASP 24 Ca 0.03 -1.77 -0.07 0.00 0.18 0.00 0.00 52.55 50.92 2k2c s ASP 24 Cb -0.14 -2.52 0.01 0.00 1.07 0.00 0.00 42.92 41.34 2k2c s ASP 24 CO -0.09 -1.33 0.17 0.00 1.18 0.00 0.00 175.17 175.10 2k2c s ARG 25 N 4.18 0.37 -0.04 8.23 1.70 -1.26 -4.46 118.95 127.67 2k2c s ARG 25 Ca 0.43 -0.09 0.03 0.00 -0.47 0.00 0.00 55.73 55.63 2k2c s ARG 25 Cb -0.01 0.16 0.15 0.00 -0.57 0.00 0.00 34.95 34.68 2k2c s ARG 25 CO -0.08 -0.08 0.77 0.41 -1.08 0.00 0.00 175.30 175.25 2k2c n GLY 26 N 2.13 1.55 3.23 3.88 0.00 -0.82 -2.70 105.19 112.46 2k2c n GLY 26 Ca -0.18 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 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 0.24 0.00 -4.82 0.00 4.77 0.07 -4.80 117.00 112.46 2k2c n LEU 28 Ca -0.17 -2.64 -0.36 0.00 -0.03 0.00 0.00 56.01 52.81 2k2c n LEU 28 Cb 0.61 -0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 2k2c n LEU 28 CO 0.21 -0.69 -0.15 -0.76 -1.33 0.00 0.00 177.39 174.68 2k2c s LEU 29 N 0.00 4.33 -0.39 2.23 1.02 -0.09 -3.88 118.68 121.89 2k2c s LEU 29 Ca 0.56 0.43 -0.17 0.00 0.02 0.00 0.00 54.13 54.97 2k2c s LEU 29 Cb -0.04 -2.13 0.01 0.00 0.02 0.00 0.00 46.19 44.05 2k2c s LEU 29 CO 0.35 0.31 0.42 -0.75 0.02 0.00 0.00 176.35 176.70 2k2c s LYS 30 N -0.49 3.25 -0.63 1.70 2.20 -0.89 -1.74 119.74 123.15 2k2c s LYS 30 Ca 0.13 -0.64 -0.26 0.00 -0.36 0.00 0.00 55.97 54.85 2k2c s LYS 30 Cb -0.12 -3.91 0.04 0.00 -1.51 0.00 0.00 37.83 32.33 2k2c s LYS 30 CO 0.03 -0.75 1.11 0.00 -0.36 0.00 0.00 175.35 175.38 2k2c s ALA 31 N 2.11 2.99 -1.12 3.13 0.00 -0.12 -4.11 121.76 124.64 2k2c s ALA 31 Ca 0.12 -1.24 0.08 0.00 0.00 0.00 0.00 51.96 50.92 2k2c s ALA 31 Cb -0.17 -3.99 0.35 0.00 0.00 0.00 0.00 23.12 19.32 2k2c s ALA 31 CO 0.13 -2.77 1.21 -0.35 0.00 0.00 0.00 175.76 173.98 2k2c n PRO 32 N 8.31 0.03 -0.08 0.00 -0.04 -1.26 0.41 135.00 142.38 2k2c n PRO 32 Ca 0.03 0.32 -0.01 0.00 -0.04 0.00 0.00 63.50 63.81 2k2c n PRO 32 Cb 0.48 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.70 2k2c n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2c n ASP 35 N 0.00 -3.94 -4.91 0.00 9.92 0.17 -4.96 116.55 112.83 2k2c n ASP 35 Ca 0.00 0.35 -0.27 0.00 -0.53 0.00 0.00 54.79 54.34 2k2c n ASP 35 Cb 0.53 -3.60 0.01 0.00 -0.64 0.00 0.00 41.12 37.42 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 -3.37 3.30 -0.23 -1.24 1.02 -1.11 -4.75 119.74 113.36 2k2c s LYS 36 Ca 0.00 0.15 0.02 0.00 0.02 0.00 0.00 55.97 56.16 2k2c s LYS 36 Cb 0.00 -2.32 0.05 0.00 -0.52 0.00 0.00 37.83 35.04 2k2c s LYS 36 CO 0.00 -0.42 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.39 2k2c s LEU 37 N -4.86 2.92 -0.06 3.17 2.01 -1.26 -0.94 118.68 119.66 2k2c s LEU 37 Ca 0.50 -1.16 -0.05 0.00 0.01 0.00 0.00 54.13 53.44 2k2c s LEU 37 Cb -0.10 -1.44 0.02 0.00 0.01 0.00 0.00 46.19 44.67 2k2c s LEU 37 CO 0.45 -0.15 0.16 -0.31 1.01 0.00 0.00 176.35 177.51 2k2c s TYR 38 N 1.22 -0.17 0.47 0.29 2.02 -0.71 -4.94 117.35 115.52 2k2c s TYR 38 Ca -0.05 0.43 0.28 0.00 -0.37 0.00 0.00 57.07 57.36 2k2c s TYR 38 Cb -0.18 0.04 1.56 0.00 -0.40 0.00 0.00 41.96 42.98 2k2c s TYR 38 CO -0.07 -0.09 2.13 1.15 -1.57 0.00 0.00 175.55 177.10 2k2c h THR 39 N 5.04 0.57 -3.91 -0.71 2.02 -1.87 -0.21 112.91 113.84 2k2c h THR 39 Ca -0.27 -0.36 -0.28 0.00 0.77 0.00 0.00 66.41 66.27 2k2c h THR 39 Cb 1.19 1.23 -0.20 0.00 -1.74 0.00 0.00 68.15 68.64 2k2c h THR 39 CO 0.41 0.08 -0.73 0.00 0.37 0.00 0.00 175.52 175.65 2k2c h ARG 41 N 4.06 -0.09 -0.57 0.00 2.43 -1.88 -2.48 114.38 115.84 2k2c h ARG 41 Ca -0.36 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.75 2k2c h ARG 41 Cb 1.19 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 2k2c h ARG 41 CO 0.47 -0.06 0.11 1.37 -1.51 0.00 0.00 179.97 180.34 2k2c h LEU 42 N -0.10 0.85 -1.54 3.80 8.10 -1.97 -1.06 115.31 123.40 2k2c h LEU 42 Ca 0.06 -0.17 -0.03 0.00 0.11 0.00 0.00 57.88 57.85 2k2c h LEU 42 Cb 0.19 -0.22 -0.00 0.00 -0.44 0.00 0.00 40.66 40.18 2k2c h LEU 42 CO -0.15 0.85 -0.14 0.00 -4.11 0.00 0.00 178.44 174.89 2k2c h HIS 44 N 0.00 -0.49 0.00 0.00 -0.00 -0.92 -3.37 115.15 110.36 2k2c h HIS 44 Ca -0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.34 2k2c h HIS 44 Cb 0.53 0.16 -0.00 0.00 -0.00 0.00 0.00 27.41 28.10 2k2c h HIS 44 CO 0.00 -0.30 -0.10 0.22 -0.00 0.00 0.00 177.93 177.76 2k2c h ASP 45 N -1.14 0.00 0.99 3.26 3.58 -0.90 -0.92 116.42 121.30 2k2c h ASP 45 Ca -0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2k2c h ASP 45 Cb 0.42 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2k2c h ASP 45 CO 0.09 0.10 0.00 0.59 -2.88 0.00 0.00 179.24 177.13 2k2c n ASN 46 N -4.09 0.14 -0.02 2.28 5.03 -0.27 -2.88 115.26 115.45 2k2c n ASN 46 Ca -0.03 0.52 0.04 0.00 0.87 0.00 0.00 54.58 55.98 2k2c n ASN 46 Cb 0.18 -0.55 -0.04 0.00 -1.02 0.00 0.00 39.78 38.35 2k2c n ASN 46 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2k2c n ASN 47 N -1.63 0.43 -4.69 6.41 3.02 -0.44 -5.08 115.26 113.28 2k2c n ASN 47 Ca 0.06 -0.71 -0.24 0.00 -0.03 0.00 0.00 54.58 53.66 2k2c n ASN 47 Cb 0.33 0.95 -0.07 0.00 -0.61 0.00 0.00 39.78 40.38 2k2c n ASN 47 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2k2c s GLU 48 N -1.67 2.27 0.00 3.52 0.41 -0.64 -5.03 118.70 117.56 2k2c s GLU 48 Ca 0.03 -1.58 0.17 0.00 -0.41 0.00 0.00 54.97 53.17 2k2c s GLU 48 Cb 0.06 -2.10 0.49 0.00 -1.78 0.00 0.00 34.13 30.80 2k2c s GLU 48 CO 0.30 0.17 1.39 -0.25 -0.49 0.00 0.00 175.26 176.38 2k2c n ASP 49 N -1.04 2.40 -3.69 -0.19 9.92 -1.26 -4.84 116.55 117.85 2k2c n ASP 49 Ca -0.04 -1.93 -0.10 0.00 -0.53 0.00 0.00 54.79 52.19 2k2c n ASP 49 Cb 0.61 -0.26 -0.04 0.00 -0.64 0.00 0.00 41.12 40.80 2k2c n ASP 49 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2k2c s HIS 50 N -1.48 -0.17 0.11 1.24 -3.43 -1.26 -5.18 115.29 105.11 2k2c s HIS 50 Ca 0.32 -0.15 -0.11 0.00 -0.80 0.00 0.00 55.06 54.32 2k2c s HIS 50 Cb 0.17 0.38 -0.06 0.00 -1.43 0.00 0.00 32.58 31.64 2k2c s HIS 50 CO 0.23 -0.86 0.45 1.14 -2.00 0.00 0.00 174.74 173.70 2k2c s GLN 51 N -3.85 3.83 -0.64 -0.38 -2.07 -1.26 -4.45 119.66 110.85 2k2c s GLN 51 Ca 0.07 0.28 -0.20 0.00 -1.82 0.00 0.00 55.36 53.69 2k2c s GLN 51 Cb -0.00 -2.96 0.10 0.00 -1.09 0.00 0.00 33.01 29.05 2k2c s GLN 51 CO -0.06 0.52 0.82 -1.17 -1.32 0.00 0.00 175.29 174.08 2k2c s LEU 52 N -1.97 5.10 -0.22 2.60 0.20 -1.26 -5.03 118.68 118.09 2k2c s LEU 52 Ca 0.35 -1.38 -0.29 0.00 0.69 0.00 0.00 54.13 53.50 2k2c s LEU 52 Cb -0.14 -2.34 -0.01 0.00 -0.43 0.00 0.00 46.19 43.27 2k2c s LEU 52 CO 0.19 -1.20 1.27 -1.81 -0.29 0.00 0.00 176.35 174.51 2k2c s ASP 53 N 3.61 6.84 0.39 3.68 1.01 -1.26 -4.84 116.67 126.09 2k2c s ASP 53 Ca 0.16 1.48 0.27 0.00 0.71 0.00 0.00 52.55 55.17 2k2c s ASP 53 Cb -0.20 -2.54 1.38 0.00 1.01 0.00 0.00 42.92 42.57 2k2c s ASP 53 CO 0.06 -0.89 1.82 0.08 0.21 0.00 0.00 175.17 176.45 2k2c h ARG 54 N 8.63 0.00 -0.01 8.23 0.11 -1.95 -1.73 114.38 127.67 2k2c h ARG 54 Ca -0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.82 2k2c h ARG 54 Cb 1.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.18 2k2c h ARG 54 CO 1.00 0.00 -0.00 1.19 0.10 0.00 0.00 179.97 182.25 2k2c n PHE 55 N -2.45 0.00 -0.08 4.08 3.72 -1.26 -3.88 117.46 117.59 2k2c n PHE 55 Ca -0.01 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.31 2k2c n PHE 55 Cb 0.09 -0.01 -0.11 0.00 -0.94 0.00 0.00 39.48 38.51 2k2c n PHE 55 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2k2c n LYS 56 N -0.58 1.36 -1.75 -1.08 4.76 -0.65 -4.97 118.16 115.25 2k2c n LYS 56 Ca 0.22 0.01 -0.43 0.00 -2.87 0.00 0.00 58.31 55.24 2k2c n LYS 56 Cb 0.20 -1.39 -0.03 0.00 -1.84 0.00 0.00 35.03 31.98 2k2c n LYS 56 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2k2c s VAL 57 N -2.37 3.18 -0.14 -0.18 -7.23 -1.25 -4.74 120.40 107.67 2k2c s VAL 57 Ca -0.10 0.19 -0.10 0.00 -1.81 0.00 0.00 61.98 60.16 2k2c s VAL 57 Cb 0.05 -3.24 -0.05 0.00 0.56 0.00 0.00 36.38 33.70 2k2c s VAL 57 CO 0.59 -0.14 -0.08 0.50 -0.31 0.00 0.00 175.10 175.66 2k2c h LYS 58 N 14.00 0.00 -7.23 4.82 1.63 -1.94 -3.48 116.57 124.38 2k2c h LYS 58 Ca -0.39 0.00 -0.47 0.00 -0.85 0.00 0.00 60.65 58.94 2k2c h LYS 58 Cb 1.21 0.00 0.10 0.00 -0.60 0.00 0.00 32.23 32.94 2k2c h LYS 58 CO 0.98 0.15 0.16 -1.21 -3.45 0.00 0.00 179.45 176.09 2k2c s GLU 59 N -2.15 1.43 0.00 1.90 2.02 -1.26 -2.30 118.70 118.34 2k2c s GLU 59 Ca -0.14 -1.08 -0.19 0.00 0.02 0.00 0.00 54.97 53.58 2k2c s GLU 59 Cb 0.02 -2.25 0.03 0.00 0.10 0.00 0.00 34.13 32.03 2k2c s GLU 59 CO 0.25 -1.66 0.40 0.14 0.02 0.00 0.00 175.26 174.41 2k2c s VAL 60 N -3.28 0.05 0.38 2.63 -7.23 -0.46 -2.09 120.40 110.41 2k2c s VAL 60 Ca 0.68 -0.40 0.07 0.00 -1.81 0.00 0.00 61.98 60.53 2k2c s VAL 60 Cb -0.04 -0.81 -0.01 0.00 0.56 0.00 0.00 36.38 36.08 2k2c s VAL 60 CO 0.46 -0.22 0.45 0.00 -0.31 0.00 0.00 175.10 175.48 2k2c s GLN 61 N -1.75 2.83 -0.01 4.82 -2.07 -1.25 -1.80 119.66 120.43 2k2c s GLN 61 Ca -0.10 -1.24 -0.03 0.00 -1.82 0.00 0.00 55.36 52.17 2k2c s GLN 61 Cb -0.03 -2.65 -0.04 0.00 -1.09 0.00 0.00 33.01 29.20 2k2c s GLN 61 CO 0.03 -0.10 0.18 0.00 -1.32 0.00 0.00 175.29 174.08 2k2c h ILE 63 N 2.86 1.02 -1.98 0.00 2.04 -1.56 -2.81 117.51 117.08 2k2c h ILE 63 Ca -0.49 -2.40 -0.73 0.00 1.00 0.00 0.00 64.86 62.24 2k2c h ILE 63 Cb 1.19 2.71 -0.16 0.00 -0.74 0.00 0.00 36.82 39.81 2k2c h ILE 63 CO 0.68 0.71 1.48 0.21 0.00 0.00 0.00 178.15 181.24 2k2c s ASN 64 N -7.03 7.04 0.00 1.72 2.47 -1.20 -3.34 114.94 114.60 2k2c s ASN 64 Ca -0.20 -2.93 0.00 0.00 0.42 0.00 0.00 52.86 50.16 2k2c s ASN 64 Cb 0.04 -2.43 0.00 0.00 -1.45 0.00 0.00 41.25 37.42 2k2c s ASN 64 CO 0.77 -0.81 0.00 0.00 -3.72 0.00 0.00 177.10 173.34 2k2c n GLU 66 N 0.00 -1.60 -3.33 0.00 1.02 -1.06 -4.96 120.64 110.72 2k2c n GLU 66 Ca 0.00 0.70 -0.38 0.00 -0.02 0.00 0.00 57.16 57.45 2k2c n GLU 66 Cb 0.00 -5.01 -0.06 0.00 -0.02 0.00 0.00 31.44 26.35 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 -2.41 4.14 0.00 3.49 2.36 -1.25 -4.63 119.74 121.44 2k2c s LYS 67 Ca 0.00 0.65 -0.24 0.00 -2.55 0.00 0.00 55.97 53.83 2k2c s LYS 67 Cb 0.00 -3.25 -0.05 0.00 -1.05 0.00 0.00 37.83 33.49 2k2c s LYS 67 CO 0.00 0.62 0.73 0.42 1.55 0.00 0.00 175.35 178.68 2k2c s ILE 68 N -0.99 4.86 0.24 5.43 -1.09 -1.26 -1.24 121.20 127.14 2k2c s ILE 68 Ca 0.28 1.54 0.01 0.00 -2.23 0.00 0.00 60.65 60.25 2k2c s ILE 68 Cb -0.19 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 2k2c s ILE 68 CO 0.17 0.33 0.14 0.00 -1.23 0.00 0.00 174.94 174.35 2k2c s GLN 69 N 0.24 1.35 0.57 2.79 0.00 -0.75 -5.00 119.66 118.86 2k2c s GLN 69 Ca 0.38 -1.73 -0.10 0.00 -0.00 0.00 0.00 55.36 53.91 2k2c s GLN 69 Cb -0.19 0.13 -0.04 0.00 0.00 0.00 0.00 33.01 32.90 2k2c s GLN 69 CO 0.21 -0.41 0.96 -1.01 0.00 0.00 0.00 175.29 175.05 2k2c s HIS 70 N -3.94 3.59 -0.63 9.60 3.76 -1.26 -1.35 115.29 125.06 2k2c s HIS 70 Ca 0.39 1.19 -0.26 0.00 -0.15 0.00 0.00 55.06 56.23 2k2c s HIS 70 Cb 0.06 -2.63 -0.10 0.00 1.11 0.00 0.00 32.58 31.03 2k2c s HIS 70 CO 0.15 -0.55 2.42 0.00 -0.85 0.00 0.00 174.74 175.90 2k2c s ALA 71 N -3.01 1.17 0.15 -1.40 0.00 -0.97 -4.71 121.76 112.99 2k2c s ALA 71 Ca 0.54 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.14 2k2c s ALA 71 Cb -0.11 -4.46 -0.00 0.00 0.00 0.00 0.00 23.12 18.55 2k2c s ALA 71 CO 0.49 -5.17 0.02 0.00 0.00 0.00 0.00 175.76 171.10 2k2c n GLN 72 N 8.92 1.26 0.02 0.00 10.64 -1.26 -5.03 117.38 131.92 2k2c n GLN 72 Ca 0.42 -1.14 0.09 0.00 -1.83 0.00 0.00 57.00 54.54 2k2c n GLN 72 Cb 0.49 0.44 -0.12 0.00 -0.86 0.00 0.00 30.24 30.19 2k2c n GLN 72 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2k2c n GLN 73 N -0.35 0.65 -3.76 2.61 7.27 -1.26 -4.82 117.38 117.72 2k2c n GLN 73 Ca -0.05 -0.08 -0.13 0.00 0.07 0.00 0.00 57.00 56.81 2k2c n GLN 73 Cb 0.20 -1.61 -0.14 0.00 2.41 0.00 0.00 30.24 31.10 2k2c n GLN 73 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2k2c s THR 74 N -3.38 -0.04 -0.21 1.69 2.01 -1.26 -1.08 115.64 113.36 2k2c s THR 74 Ca -0.06 0.15 -0.28 0.00 0.31 0.00 0.00 61.69 61.81 2k2c s THR 74 Cb 0.12 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 72.34 2k2c s THR 74 CO 0.87 0.06 2.08 0.00 -0.69 0.00 0.00 174.62 176.94 2k2c h GLU 76 N 13.95 0.00 0.04 0.00 -0.00 -1.98 0.15 114.58 126.74 2k2c h GLU 76 Ca -0.40 0.00 -0.23 0.00 -0.00 0.00 0.00 59.36 58.73 2k2c h GLU 76 Cb 1.22 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.97 2k2c h GLU 76 CO 0.97 0.00 -1.01 1.49 -0.00 0.00 0.00 179.01 180.46 2k2c h GLU 77 N 0.00 0.25 0.00 1.06 4.57 -1.98 -3.40 114.58 115.08 2k2c h GLU 77 Ca 0.20 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 2k2c h GLU 77 Cb 0.99 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 2k2c h GLU 77 CO -0.00 1.07 0.00 0.00 -1.18 0.00 0.00 179.01 178.90 2k2c n SER 79 N 0.00 -6.16 -4.80 0.00 7.64 0.51 -5.00 113.62 105.80 2k2c n SER 79 Ca 0.00 -0.34 -0.38 0.00 1.01 0.00 0.00 58.87 59.16 2k2c n SER 79 Cb 0.47 -4.96 -0.06 0.00 -1.01 0.00 0.00 64.21 58.65 2k2c n SER 79 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k2c s THR 80 N -3.21 4.92 -0.17 0.44 -1.32 -1.25 -4.85 115.64 110.21 2k2c s THR 80 Ca 0.36 1.06 -0.18 0.00 -1.21 0.00 0.00 61.69 61.71 2k2c s THR 80 Cb -0.16 -3.83 -0.04 0.00 -1.51 0.00 0.00 72.50 66.97 2k2c s THR 80 CO 0.45 0.51 0.50 -0.22 -2.21 0.00 0.00 174.62 173.65 2k2c s LEU 81 N -0.73 4.20 0.52 9.08 2.96 -1.26 -1.38 118.68 132.06 2k2c s LEU 81 Ca 0.27 0.74 0.30 0.00 -0.22 0.00 0.00 54.13 55.22 2k2c s LEU 81 Cb -0.18 -2.71 1.31 0.00 0.50 0.00 0.00 46.19 45.12 2k2c s LEU 81 CO 0.16 -0.11 1.98 -0.26 -1.32 0.00 0.00 176.35 176.80 2k2c h PHE 82 N 7.16 0.00 0.00 5.38 -1.00 -1.42 -2.19 116.94 124.87 2k2c h PHE 82 Ca -0.37 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.41 2k2c h PHE 82 Cb 1.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.72 2k2c h PHE 82 CO 0.67 0.10 0.00 0.41 -1.61 0.00 0.00 178.31 177.88 2k2c n GLY 83 N -0.15 3.94 0.37 -1.45 0.00 -1.26 -3.15 105.19 103.48 2k2c n GLY 83 Ca -0.00 -0.77 0.02 0.00 0.00 0.00 0.00 46.02 45.27 2k2c n GLY 83 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k2c h GLU 84 N 0.00 1.12 -6.05 1.61 3.07 -1.84 -3.40 114.58 109.09 2k2c h GLU 84 Ca 0.00 -0.07 -0.59 0.00 -0.50 0.00 0.00 59.36 58.20 2k2c h GLU 84 Cb 0.00 -0.25 -0.05 0.00 -0.84 0.00 0.00 28.75 27.60 2k2c h GLU 84 CO 0.00 0.74 -0.12 -0.47 -1.40 0.00 0.00 179.01 177.76 2k2c s TYR 85 N -5.99 3.72 0.07 4.33 5.04 -0.25 -4.76 117.35 119.51 2k2c s TYR 85 Ca -0.12 1.09 0.03 0.00 -2.44 0.00 0.00 57.07 55.64 2k2c s TYR 85 Cb 0.19 -2.43 -0.03 0.00 0.35 0.00 0.00 41.96 40.04 2k2c s TYR 85 CO 0.81 0.53 -0.10 1.52 -1.34 0.00 0.00 175.55 176.96 2k2c s TYR 86 N -0.75 0.95 -0.24 4.97 1.13 -1.26 -2.36 117.35 119.78 2k2c s TYR 86 Ca 0.26 -0.54 -0.04 0.00 -1.41 0.00 0.00 57.07 55.35 2k2c s TYR 86 Cb -0.18 -0.54 0.13 0.00 -1.10 0.00 0.00 41.96 40.27 2k2c s TYR 86 CO 0.15 -0.02 0.41 0.00 -2.51 0.00 0.00 175.55 173.58 2k2c h ASP 88 N 8.16 0.36 -0.07 0.00 3.58 -1.95 -0.14 116.42 126.35 2k2c h ASP 88 Ca -0.19 -0.27 -0.03 0.00 0.42 0.00 0.00 57.03 56.97 2k2c h ASP 88 Cb 1.14 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 42.10 2k2c h ASP 88 CO 0.23 0.54 -0.05 0.40 -2.88 0.00 0.00 179.24 177.47 2k2c h ILE 89 N 0.17 1.35 0.00 2.25 2.04 -1.97 -2.91 117.51 118.43 2k2c h ILE 89 Ca 0.07 -1.14 -0.06 0.00 1.00 0.00 0.00 64.86 64.73 2k2c h ILE 89 Cb 0.33 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 2k2c h ILE 89 CO 0.01 0.32 -0.26 0.00 0.00 0.00 0.00 178.15 178.21 2k2c n HIS 91 N -3.37 0.00 -2.95 0.00 8.25 -0.07 -4.70 115.22 112.39 2k2c n HIS 91 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 2k2c n HIS 91 Cb 0.48 -1.46 -0.05 0.00 1.12 0.00 0.00 29.99 30.08 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 0.00 4.08 -0.19 2.41 0.05 -1.24 -4.96 118.68 118.84 2k2c s LEU 92 Ca 0.00 0.75 0.01 0.00 0.05 0.00 0.00 54.13 54.94 2k2c s LEU 92 Cb 0.00 -3.08 0.03 0.00 -2.05 0.00 0.00 46.19 41.09 2k2c s LEU 92 CO 0.00 -0.57 -0.15 -0.36 -0.55 0.00 0.00 176.35 174.72 2k2c s PHE 93 N 2.89 2.59 0.36 3.48 0.08 -1.26 -3.19 117.98 122.92 2k2c s PHE 93 Ca 0.32 -1.60 -0.11 0.00 0.12 0.00 0.00 56.93 55.66 2k2c s PHE 93 Cb -0.14 -1.77 0.03 0.00 -0.57 0.00 0.00 43.02 40.57 2k2c s PHE 93 CO 0.11 -0.77 0.66 0.16 -0.10 0.00 0.00 175.22 175.29 2k2c s ASP 94 N 1.34 0.34 0.56 1.36 -4.77 -1.00 -4.60 116.67 109.91 2k2c s ASP 94 Ca 0.02 -1.25 -0.20 0.00 -3.30 0.00 0.00 52.55 47.82 2k2c s ASP 94 Cb -0.15 0.77 -0.05 0.00 -1.09 0.00 0.00 42.92 42.41 2k2c s ASP 94 CO -0.10 -1.52 1.18 -0.54 0.70 0.00 0.00 175.17 174.89 2k2c s LYS 95 N -2.68 3.19 -0.42 2.11 1.02 -1.26 -1.09 119.74 120.61 2k2c s LYS 95 Ca 0.21 1.76 -0.22 0.00 0.02 0.00 0.00 55.97 57.75 2k2c s LYS 95 Cb -0.03 -2.02 0.02 0.00 -0.52 0.00 0.00 37.83 35.28 2k2c s LYS 95 CO 0.15 -1.01 0.69 0.34 -0.92 0.00 0.00 175.35 174.60 2k2c s ASP 96 N -1.61 6.38 -0.41 2.83 2.15 -1.26 -4.54 116.67 120.22 2k2c s ASP 96 Ca 0.74 -0.13 0.05 0.00 0.43 0.00 0.00 52.55 53.64 2k2c s ASP 96 Cb -0.28 -2.35 0.19 0.00 -0.30 0.00 0.00 42.92 40.18 2k2c s ASP 96 CO 0.31 -0.78 0.39 0.29 -0.17 0.00 0.00 175.17 175.21 2k2c n LYS 97 N 6.37 0.30 -0.79 4.34 5.02 -1.26 -4.94 118.16 127.20 2k2c n LYS 97 Ca -0.00 -3.16 0.00 0.00 -2.02 0.00 0.00 58.31 53.13 2k2c n LYS 97 Cb 0.48 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 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 2.55 -0.39 -1.71 1.97 4.76 -1.26 -4.16 118.16 119.92 2k2c n LYS 98 Ca 0.28 0.10 -0.30 0.00 -2.87 0.00 0.00 58.31 55.52 2k2c n LYS 98 Cb 0.49 -3.88 0.07 0.00 -1.84 0.00 0.00 35.03 29.86 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 -0.81 2.54 -0.10 1.97 -2.07 -1.24 -2.55 119.66 117.40 2k2c s GLN 99 Ca 0.00 0.59 -0.07 0.00 -1.82 0.00 0.00 55.36 54.06 2k2c s GLN 99 Cb 0.00 -1.97 0.04 0.00 -1.09 0.00 0.00 33.01 29.98 2k2c s GLN 99 CO 0.00 -1.29 0.26 1.52 -1.32 0.00 0.00 175.29 174.46 2k2c s TYR 100 N -3.24 -0.31 -0.55 9.60 1.13 -1.26 -4.88 117.35 117.84 2k2c s TYR 100 Ca 0.59 0.75 -0.25 0.00 -1.41 0.00 0.00 57.07 56.75 2k2c s TYR 100 Cb -0.13 0.08 0.04 0.00 -1.10 0.00 0.00 41.96 40.85 2k2c s TYR 100 CO 0.53 -0.19 0.99 -1.58 -2.51 0.00 0.00 175.55 172.79 2k2c s HIS 101 N 0.71 2.77 -0.33 -3.49 2.46 -1.26 -4.08 115.29 112.07 2k2c s HIS 101 Ca -0.05 0.11 -0.22 0.00 0.47 0.00 0.00 55.06 55.37 2k2c s HIS 101 Cb -0.06 -4.15 0.00 0.00 -0.13 0.00 0.00 32.58 28.24 2k2c s HIS 101 CO -0.04 -1.37 0.74 0.00 -2.47 0.00 0.00 174.74 171.60 2k2c h GLU 103 N 8.29 0.00 0.19 0.00 5.08 -1.91 0.16 114.58 126.39 2k2c h GLU 103 Ca -0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 2k2c h GLU 103 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2k2c h GLU 103 CO 0.87 0.54 -0.09 -0.91 -1.00 0.00 0.00 179.01 178.42 2k2c h ASN 104 N 0.00 -0.22 0.95 1.42 4.21 -1.95 -2.97 115.58 117.03 2k2c h ASN 104 Ca -0.01 -0.24 -0.01 0.00 1.21 0.00 0.00 56.30 57.25 2k2c h ASN 104 Cb 1.01 0.06 -0.00 0.00 -1.12 0.00 0.00 38.32 38.26 2k2c h ASN 104 CO 0.07 0.14 -0.07 0.00 -1.29 0.00 0.00 177.43 176.28 2k2c n GLY 106 N 0.02 0.83 3.40 0.00 0.00 0.51 -5.00 105.19 104.96 2k2c n GLY 106 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.30 0.46 -0.16 -0.61 -4.36 -0.86 -4.92 121.20 107.45 2k2c s ILE 107 Ca 0.00 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.33 2k2c s ILE 107 Cb 0.00 -2.48 0.08 0.00 1.25 0.00 0.00 42.46 41.31 2k2c s ILE 107 CO 0.00 0.00 0.34 0.00 0.24 0.00 0.00 174.94 175.52 2k2c s ARG 109 N 2.45 1.01 -0.42 0.00 1.81 -1.26 -4.97 118.95 117.57 2k2c s ARG 109 Ca -0.01 -1.46 -0.27 0.00 -1.72 0.00 0.00 55.73 52.28 2k2c s ARG 109 Cb -0.12 0.26 -0.06 0.00 -0.45 0.00 0.00 34.95 34.58 2k2c s ARG 109 CO -0.11 -0.30 2.32 0.42 -0.68 0.00 0.00 175.30 176.95 2k2c s ILE 110 N -4.07 3.03 -0.26 1.52 -1.09 -1.26 -4.10 121.20 114.98 2k2c s ILE 110 Ca 0.27 0.03 -0.10 0.00 -2.23 0.00 0.00 60.65 58.61 2k2c s ILE 110 Cb 0.07 -3.07 0.10 0.00 -1.58 0.00 0.00 42.46 37.98 2k2c s ILE 110 CO 0.04 -0.06 0.58 -0.83 -1.23 0.00 0.00 174.94 173.44 2k2c s GLY 111 N 10.87 -0.59 -0.28 6.18 0.00 -1.26 -4.98 107.32 117.26 2k2c s GLY 111 Ca 0.96 2.10 -0.29 0.00 0.00 0.00 0.00 44.72 47.49 2k2c s GLY 111 CO 0.28 2.66 1.71 2.56 0.00 0.00 0.00 173.10 180.31 2k2c s PRO 112 N 2.45 3.55 0.59 2.90 0.04 -1.26 -3.60 135.00 139.67 2k2c s PRO 112 Ca -0.06 1.53 0.29 0.00 0.04 0.00 0.00 61.00 62.80 2k2c s PRO 112 Cb -0.10 -4.12 1.80 0.00 0.04 0.00 0.00 34.50 32.11 2k2c s PRO 112 CO -0.17 -1.59 2.25 1.57 0.04 0.00 0.00 177.00 179.09 2k2c h LYS 113 N 11.84 0.00 -0.11 4.56 2.10 -1.82 0.45 116.57 133.59 2k2c h LYS 113 Ca -0.34 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.20 2k2c h LYS 113 Cb 1.16 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.48 2k2c h LYS 113 CO 1.02 0.01 -0.41 1.05 -2.00 0.00 0.00 179.45 179.11 2k2c h GLU 114 N 0.00 0.25 -0.01 0.07 9.09 -1.89 -3.09 114.58 118.99 2k2c h GLU 114 Ca -0.00 -0.12 0.00 0.00 0.05 0.00 0.00 59.36 59.29 2k2c h GLU 114 Cb 0.02 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 2k2c h GLU 114 CO 0.00 0.63 -0.24 -0.25 0.05 0.00 0.00 179.01 179.20 2k2c n ASP 115 N -4.02 1.42 -4.53 3.06 9.92 0.07 -4.90 116.55 117.56 2k2c n ASP 115 Ca -0.02 -1.18 -0.24 0.00 -0.53 0.00 0.00 54.79 52.82 2k2c n ASP 115 Cb 0.48 0.17 -0.09 0.00 -0.64 0.00 0.00 41.12 41.04 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 -2.38 2.44 -0.18 1.24 0.08 -0.69 -0.66 117.98 117.83 2k2c s PHE 116 Ca 0.26 -0.29 -0.16 0.00 0.12 0.00 0.00 56.93 56.86 2k2c s PHE 116 Cb 0.19 -1.07 0.05 0.00 -0.57 0.00 0.00 43.02 41.62 2k2c s PHE 116 CO 0.48 0.68 0.48 -0.59 -0.10 0.00 0.00 175.22 176.17 2k2c s PHE 117 N -2.42 -0.53 0.16 0.36 -0.71 -0.42 -4.84 117.98 109.58 2k2c s PHE 117 Ca 0.30 1.29 -0.17 0.00 -1.04 0.00 0.00 56.93 57.31 2k2c s PHE 117 Cb -0.06 0.19 -0.07 0.00 -1.21 0.00 0.00 43.02 41.87 2k2c s PHE 117 CO 0.17 -0.26 0.62 -1.58 -1.34 0.00 0.00 175.22 172.83 2k2c s HIS 118 N 0.32 3.67 0.03 3.49 2.46 -1.26 -0.49 115.29 123.50 2k2c s HIS 118 Ca -0.01 1.23 0.06 0.00 0.47 0.00 0.00 55.06 56.82 2k2c s HIS 118 Cb -0.04 -2.49 -0.03 0.00 -0.13 0.00 0.00 32.58 29.89 2k2c s HIS 118 CO -0.00 0.43 -0.17 0.00 -2.47 0.00 0.00 174.74 172.53 2k2c h LEU 120 N 4.65 -0.38 -3.87 0.00 -0.00 -1.99 -3.25 115.31 110.48 2k2c h LEU 120 Ca -0.47 -0.17 -0.54 0.00 -0.00 0.00 0.00 57.88 56.69 2k2c h LEU 120 Cb 1.15 0.10 -0.28 0.00 -0.00 0.00 0.00 40.66 41.64 2k2c h LEU 120 CO 0.48 0.03 0.69 1.17 -0.00 0.00 0.00 178.44 180.82 2k2c n LYS 121 N -5.12 2.33 -3.45 1.13 3.00 -1.26 -4.60 118.16 110.18 2k2c n LYS 121 Ca -0.09 -2.87 -0.17 0.00 -0.00 0.00 0.00 58.31 55.18 2k2c n LYS 121 Cb 0.27 -2.12 -0.12 0.00 0.00 0.00 0.00 35.03 33.06 2k2c n LYS 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k2c n ASN 123 N 5.32 3.11 -3.62 0.00 4.13 -1.26 -4.21 115.26 118.74 2k2c n ASN 123 Ca -0.04 -2.75 -0.04 0.00 1.68 0.00 0.00 54.58 53.43 2k2c n ASN 123 Cb 0.49 -1.36 -0.04 0.00 -1.54 0.00 0.00 39.78 37.33 2k2c n ASN 123 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2k2c s LEU 124 N 2.20 -0.13 -0.38 3.41 2.96 -1.26 -4.97 118.68 120.51 2k2c s LEU 124 Ca 0.54 0.11 -0.18 0.00 -0.22 0.00 0.00 54.13 54.38 2k2c s LEU 124 Cb 0.13 1.32 0.01 0.00 0.50 0.00 0.00 46.19 48.15 2k2c s LEU 124 CO 0.05 -0.15 0.51 0.00 -1.32 0.00 0.00 176.35 175.44 2k2c s LEU 126 N 2.40 3.53 0.46 0.00 2.01 0.35 -4.78 118.68 122.65 2k2c s LEU 126 Ca 0.18 1.48 -0.15 0.00 0.01 0.00 0.00 54.13 55.64 2k2c s LEU 126 Cb -0.16 -4.45 -0.08 0.00 0.01 0.00 0.00 46.19 41.52 2k2c s LEU 126 CO 0.14 -0.65 0.91 0.00 1.01 0.00 0.00 176.35 177.76 2k2c s ALA 127 N -2.76 3.15 0.50 4.21 0.00 -1.26 -1.30 121.76 124.30 2k2c s ALA 127 Ca 0.57 0.10 0.17 0.00 0.00 0.00 0.00 51.96 52.80 2k2c s ALA 127 Cb -0.10 -2.99 1.25 0.00 0.00 0.00 0.00 23.12 21.27 2k2c s ALA 127 CO 0.38 -0.10 2.11 1.98 0.00 0.00 0.00 175.76 180.13 2k2c h MET 128 N 1.21 0.00 -0.00 0.00 4.05 -1.23 -1.48 114.93 117.48 2k2c h MET 128 Ca -0.47 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 58.81 2k2c h MET 128 Cb 1.18 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.96 2k2c h MET 128 CO 0.62 0.06 -0.68 -0.97 0.23 0.00 0.00 176.91 176.18 2k2c h ASN 129 N 0.00 0.01 -0.40 1.39 -0.73 -1.94 -3.24 115.58 110.67 2k2c h ASN 129 Ca -0.00 -0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.13 2k2c h ASN 129 Cb 0.11 -0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.68 2k2c h ASN 129 CO 0.01 0.69 0.14 -0.07 -0.37 0.00 0.00 177.43 177.82 2k2c h LEU 130 N 0.01 0.57 0.00 0.34 3.38 -1.65 -3.46 115.31 114.49 2k2c h LEU 130 Ca -0.01 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2k2c h LEU 130 Cb 1.20 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2k2c h LEU 130 CO 0.09 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.23 2k2c n GLN 131 N -4.61 0.00 -0.01 1.13 6.02 -1.19 -1.64 117.38 117.08 2k2c n GLN 131 Ca -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 2k2c n GLN 131 Cb 0.17 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.44 2k2c n GLN 131 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k2c n GLY 132 N 0.00 2.75 3.41 1.08 0.00 -1.26 -4.90 105.19 106.27 2k2c n GLY 132 Ca 0.00 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2k2c n GLY 132 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k2c n ARG 133 N -0.55 3.18 -3.30 1.61 0.63 -0.65 -4.78 116.66 112.80 2k2c n ARG 133 Ca 0.02 -3.25 0.03 0.00 -0.92 0.00 0.00 57.85 53.72 2k2c n ARG 133 Cb 0.31 -3.40 -0.04 0.00 0.45 0.00 0.00 32.46 29.78 2k2c n ARG 133 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 2k2c s HIS 134 N 3.65 -0.43 -0.21 -0.14 -3.43 -1.26 -5.00 115.29 108.47 2k2c s HIS 134 Ca 0.51 0.74 -0.29 0.00 -0.80 0.00 0.00 55.06 55.22 2k2c s HIS 134 Cb 0.05 0.25 -0.04 0.00 -1.43 0.00 0.00 32.58 31.42 2k2c s HIS 134 CO 0.04 -0.22 1.80 -1.59 -2.00 0.00 0.00 174.74 172.78 2k2c s LYS 135 N 2.32 3.62 -0.16 -0.38 -2.85 -1.26 -4.86 119.74 116.16 2k2c s LYS 135 Ca -0.01 1.79 0.15 0.00 -1.00 0.00 0.00 55.97 56.90 2k2c s LYS 135 Cb -0.04 -4.14 0.73 0.00 -2.06 0.00 0.00 37.83 32.32 2k2c s LYS 135 CO -0.17 -1.52 1.63 0.00 0.10 0.00 0.00 175.35 175.40