#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 3.63 -0.38 3.04 0.00 -1.26 -4.97 121.76 121.83 2k2c s ALA 2 Ca 0.00 -2.57 0.02 0.00 0.00 0.00 0.00 51.96 49.41 2k2c s ALA 2 Cb 0.00 -3.43 0.15 0.00 0.00 0.00 0.00 23.12 19.84 2k2c s ALA 2 CO 0.00 -2.21 0.32 0.00 0.00 0.00 0.00 175.76 173.87 2k2c s ALA 3 N 1.77 0.30 -0.21 0.00 0.00 -1.26 -5.12 121.76 117.25 2k2c s ALA 3 Ca 0.09 -1.53 -0.27 0.00 0.00 0.00 0.00 51.96 50.26 2k2c s ALA 3 Cb -0.24 -1.84 0.09 0.00 0.00 0.00 0.00 23.12 21.13 2k2c s ALA 3 CO 0.02 -2.11 0.79 -0.08 0.00 0.00 0.00 175.76 174.38 2k2c s THR 4 N 1.06 0.00 -0.14 0.00 -1.32 -1.26 -5.18 115.64 108.80 2k2c s THR 4 Ca 0.20 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.61 2k2c s THR 4 Cb -0.15 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.89 2k2c s THR 4 CO -0.04 0.00 0.33 0.00 -2.21 0.00 0.00 174.62 172.70 2k2c s ALA 5 N -0.19 -0.80 -0.27 11.08 0.00 -1.26 -5.14 121.76 125.18 2k2c s ALA 5 Ca -0.02 1.23 -0.00 0.00 0.00 0.00 0.00 51.96 53.17 2k2c s ALA 5 Cb -0.03 -0.76 0.08 0.00 0.00 0.00 0.00 23.12 22.41 2k2c s ALA 5 CO 0.02 -0.22 0.04 1.03 0.00 0.00 0.00 175.76 176.63 2k2c s ARG 6 N 1.22 1.00 -0.24 0.00 1.81 -1.26 -5.12 118.95 116.37 2k2c s ARG 6 Ca -0.09 -0.98 -0.01 0.00 -1.72 0.00 0.00 55.73 52.93 2k2c s ARG 6 Cb -0.09 -2.28 0.03 0.00 -0.45 0.00 0.00 34.95 32.16 2k2c s ARG 6 CO -0.10 -0.81 -0.09 -1.21 -0.68 0.00 0.00 175.30 172.42 2k2c s GLU 7 N 1.55 2.80 -0.30 3.54 2.02 -1.26 -5.05 118.70 122.00 2k2c s GLU 7 Ca 0.03 -0.99 -0.06 0.00 0.02 0.00 0.00 54.97 53.97 2k2c s GLU 7 Cb -0.18 -2.91 0.19 0.00 0.10 0.00 0.00 34.13 31.33 2k2c s GLU 7 CO -0.15 -0.39 0.87 0.34 0.02 0.00 0.00 175.26 175.95 2k2c s ASP 8 N 1.29 -0.87 0.00 -0.19 2.15 -1.26 -5.10 116.67 112.70 2k2c s ASP 8 Ca -0.00 0.30 0.00 0.00 0.43 0.00 0.00 52.55 53.28 2k2c s ASP 8 Cb -0.16 1.63 0.00 0.00 -0.30 0.00 0.00 42.92 44.09 2k2c s ASP 8 CO -0.06 -0.16 0.00 0.61 -0.17 0.00 0.00 175.17 175.39 2k2c n GLY 9 N 5.35 -1.89 3.22 2.66 0.00 -1.26 -5.17 105.19 108.09 2k2c n GLY 9 Ca 0.01 0.86 -0.12 0.00 0.00 0.00 0.00 46.02 46.78 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 0.00 -0.88 -0.38 4.61 0.00 -1.26 -5.14 121.76 118.72 2k2c s ALA 10 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.17 2k2c s ALA 10 Cb 0.00 -0.73 0.11 0.00 0.00 0.00 0.00 23.12 22.50 2k2c s ALA 10 CO 0.00 -0.21 0.14 0.99 0.00 0.00 0.00 175.76 176.67 2k2c s THR 11 N 0.89 2.84 -0.45 0.00 2.01 -1.26 -5.08 115.64 114.60 2k2c s THR 11 Ca -0.06 -2.18 -0.17 0.00 0.31 0.00 0.00 61.69 59.59 2k2c s THR 11 Cb -0.06 -3.00 0.04 0.00 0.01 0.00 0.00 72.50 69.48 2k2c s THR 11 CO -0.07 -0.65 0.44 -0.83 -0.69 0.00 0.00 174.62 172.82 2k2c s GLY 12 N 1.42 1.93 0.05 4.40 0.00 -1.26 -5.08 107.32 108.78 2k2c s GLY 12 Ca 0.09 -1.75 0.05 0.00 0.00 0.00 0.00 44.72 43.11 2k2c s GLY 12 CO -0.06 1.15 -0.08 -0.54 0.00 0.00 0.00 173.10 173.58 2k2c s GLU 13 N 2.02 2.39 -0.18 2.90 2.02 -1.26 -5.13 118.70 121.46 2k2c s GLU 13 Ca 0.09 -0.85 -0.09 0.00 0.02 0.00 0.00 54.97 54.14 2k2c s GLU 13 Cb -0.20 -2.42 0.07 0.00 0.10 0.00 0.00 34.13 31.67 2k2c s GLU 13 CO 0.11 0.56 0.42 -2.00 0.02 0.00 0.00 175.26 174.37 2k2c s GLU 14 N -1.80 0.39 0.00 1.61 2.12 -1.26 -5.18 118.70 114.58 2k2c s GLU 14 Ca 0.20 0.85 0.00 0.00 0.36 0.00 0.00 54.97 56.37 2k2c s GLU 14 Cb -0.11 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.32 2k2c s GLU 14 CO 0.11 -0.18 0.00 2.89 -0.54 0.00 0.00 175.26 177.54 2k2c n ARG 15 N 4.48 1.12 -3.95 4.30 -4.01 -1.26 -5.04 116.66 112.30 2k2c n ARG 15 Ca -0.20 0.00 -0.10 0.00 -1.04 0.00 0.00 57.85 56.51 2k2c n ARG 15 Cb 0.54 0.00 -0.02 0.00 -3.04 0.00 0.00 32.46 29.94 2k2c n ARG 15 CO 0.00 0.00 0.00 0.20 -3.04 0.00 0.00 177.63 174.79 2k2c s GLY 16 N -0.41 0.64 0.99 2.89 0.00 -1.26 -5.08 107.32 105.08 2k2c s GLY 16 Ca 0.00 -0.92 -0.16 0.00 0.00 0.00 0.00 44.72 43.64 2k2c s GLY 16 CO 0.00 -0.55 1.26 -0.86 0.00 0.00 0.00 173.10 172.95 2k2c s GLN 17 N -3.29 0.46 0.07 2.90 -2.07 -1.26 -4.67 119.66 111.79 2k2c s GLN 17 Ca 0.21 -0.25 -0.08 0.00 -1.82 0.00 0.00 55.36 53.41 2k2c s GLN 17 Cb -0.03 -1.81 -0.00 0.00 -1.09 0.00 0.00 33.01 30.08 2k2c s GLN 17 CO 0.12 -2.56 0.18 -0.98 -1.32 0.00 0.00 175.29 170.73 2k2c s ARG 18 N -5.74 0.78 0.13 9.60 3.03 -1.26 -4.58 118.95 120.91 2k2c s ARG 18 Ca 0.72 -0.86 0.00 0.00 2.03 0.00 0.00 55.73 57.61 2k2c s ARG 18 Cb -0.06 0.32 0.00 0.00 -1.03 0.00 0.00 34.95 34.17 2k2c s ARG 18 CO 0.53 -0.24 0.00 0.41 -1.13 0.00 0.00 175.30 174.88 2k2c n GLY 19 N 0.19 -2.76 3.58 3.88 0.00 0.11 -4.86 105.19 105.33 2k2c n GLY 19 Ca -0.16 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 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 2.01 0.00 0.00 0.00 4.11 -2.03 -2.79 114.58 115.88 2k2c h GLU 21 Ca -0.29 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.03 2k2c h GLU 21 Cb 1.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 2k2c h GLU 21 CO 0.33 0.00 -0.65 0.45 0.07 0.00 0.00 179.01 179.21 2k2c h HIS 22 N 0.00 0.00 -3.36 2.06 3.86 -2.00 -3.47 115.15 112.24 2k2c h HIS 22 Ca 0.24 0.00 -0.43 0.00 -1.16 0.00 0.00 60.37 59.01 2k2c h HIS 22 Cb 1.07 0.00 -0.36 0.00 1.06 0.00 0.00 27.41 29.18 2k2c h HIS 22 CO 0.00 1.21 -0.77 0.71 0.86 0.00 0.00 177.93 179.93 2k2c s TYR 23 N -2.28 0.81 -0.93 2.45 2.02 -1.05 -5.09 117.35 113.28 2k2c s TYR 23 Ca -0.23 -0.26 -0.21 0.00 -0.37 0.00 0.00 57.07 56.00 2k2c s TYR 23 Cb 0.02 -0.78 0.09 0.00 -0.40 0.00 0.00 41.96 40.89 2k2c s TYR 23 CO 0.61 -0.27 1.23 -0.51 -1.57 0.00 0.00 175.55 175.04 2k2c s ASP 24 N 1.33 6.53 -0.00 2.29 1.11 -1.25 -0.71 116.67 125.97 2k2c s ASP 24 Ca -0.04 -1.70 -0.08 0.00 0.18 0.00 0.00 52.55 50.91 2k2c s ASP 24 Cb -0.13 -2.47 0.00 0.00 1.07 0.00 0.00 42.92 41.39 2k2c s ASP 24 CO -0.02 -1.28 0.16 0.00 1.18 0.00 0.00 175.17 175.21 2k2c s ARG 25 N 3.70 0.49 -0.13 8.23 1.70 -1.26 -3.91 118.95 127.78 2k2c s ARG 25 Ca 0.36 -0.35 0.03 0.00 -0.47 0.00 0.00 55.73 55.30 2k2c s ARG 25 Cb -0.04 0.21 0.27 0.00 -0.57 0.00 0.00 34.95 34.82 2k2c s ARG 25 CO -0.07 -0.12 1.16 0.41 -1.08 0.00 0.00 175.30 175.59 2k2c n GLY 26 N 1.49 2.50 3.01 3.88 0.00 -1.05 -0.71 105.19 114.30 2k2c n GLY 26 Ca -0.22 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.63 3.40 -0.32 0.00 1.43 -0.61 -4.54 118.68 117.41 2k2c s LEU 28 Ca -0.01 -0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 52.69 2k2c s LEU 28 Cb -0.05 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 2k2c s LEU 28 CO 0.00 0.11 1.66 -0.76 0.23 0.00 0.00 176.35 177.59 2k2c s LEU 29 N 0.70 3.63 -0.42 1.79 1.02 0.92 -1.40 118.68 124.93 2k2c s LEU 29 Ca 0.00 1.29 -0.29 0.00 0.02 0.00 0.00 54.13 55.16 2k2c s LEU 29 Cb -0.14 -3.53 0.01 0.00 0.02 0.00 0.00 46.19 42.55 2k2c s LEU 29 CO 0.02 -1.51 1.39 -0.75 0.02 0.00 0.00 176.35 175.52 2k2c s LYS 30 N 5.20 3.58 -0.24 1.70 2.20 -0.76 -1.95 119.74 129.47 2k2c s LYS 30 Ca 0.73 0.90 -0.29 0.00 -0.36 0.00 0.00 55.97 56.95 2k2c s LYS 30 Cb -0.21 -4.02 -0.01 0.00 -1.51 0.00 0.00 37.83 32.08 2k2c s LYS 30 CO 0.32 -1.56 1.40 0.00 -0.36 0.00 0.00 175.35 175.16 2k2c s ALA 31 N 5.36 3.40 0.30 3.13 0.00 -0.09 -4.07 121.76 129.80 2k2c s ALA 31 Ca 0.60 0.32 0.34 0.00 0.00 0.00 0.00 51.96 53.22 2k2c s ALA 31 Cb -0.13 -3.77 1.60 0.00 0.00 0.00 0.00 23.12 20.82 2k2c s ALA 31 CO 0.33 -1.70 2.08 -1.00 0.00 0.00 0.00 175.76 175.47 2k2c h PRO 32 N 9.53 0.00 0.00 0.00 0.13 -1.88 0.51 132.00 140.28 2k2c h PRO 32 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2k2c h PRO 32 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2k2c h PRO 32 CO 1.01 0.04 0.00 0.00 -0.23 0.00 0.00 178.00 178.82 2k2c n ASP 35 N -0.26 -5.05 -4.92 0.00 9.92 0.17 -4.98 116.55 111.43 2k2c n ASP 35 Ca 0.00 0.42 -0.26 0.00 -0.53 0.00 0.00 54.79 54.42 2k2c n ASP 35 Cb 0.00 -4.34 -0.03 0.00 -0.64 0.00 0.00 41.12 36.10 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 -3.43 3.34 -0.26 -1.24 1.02 -1.19 -4.84 119.74 113.14 2k2c s LYS 36 Ca 0.00 -0.65 -0.06 0.00 0.02 0.00 0.00 55.97 55.28 2k2c s LYS 36 Cb 0.00 -2.90 -0.01 0.00 -0.52 0.00 0.00 37.83 34.40 2k2c s LYS 36 CO 0.00 0.51 0.04 -0.51 -0.92 0.00 0.00 175.35 174.47 2k2c s LEU 37 N -3.23 3.42 -0.04 3.17 2.01 -1.26 -0.91 118.68 121.84 2k2c s LEU 37 Ca 0.34 -0.46 -0.00 0.00 0.01 0.00 0.00 54.13 54.01 2k2c s LEU 37 Cb -0.11 -1.85 0.03 0.00 0.01 0.00 0.00 46.19 44.27 2k2c s LEU 37 CO 0.28 -0.09 0.01 -0.31 1.01 0.00 0.00 176.35 177.25 2k2c s TYR 38 N 1.52 0.31 0.50 0.29 2.02 -0.82 -4.90 117.35 116.27 2k2c s TYR 38 Ca 0.05 0.02 0.19 0.00 -0.37 0.00 0.00 57.07 56.95 2k2c s TYR 38 Cb -0.16 -0.46 1.24 0.00 -0.40 0.00 0.00 41.96 42.18 2k2c s TYR 38 CO 0.01 -0.16 2.03 1.15 -1.57 0.00 0.00 175.55 177.01 2k2c h THR 39 N 6.28 0.86 -3.97 -0.71 2.02 -1.85 0.26 112.91 115.80 2k2c h THR 39 Ca -0.36 -0.05 -0.36 0.00 0.77 0.00 0.00 66.41 66.42 2k2c h THR 39 Cb 1.13 0.71 -0.23 0.00 -1.74 0.00 0.00 68.15 68.02 2k2c h THR 39 CO 0.40 0.02 -0.76 0.00 0.37 0.00 0.00 175.52 175.56 2k2c h ARG 41 N 4.72 0.81 0.00 0.00 0.11 -1.88 -2.83 114.38 115.31 2k2c h ARG 41 Ca -0.37 -0.14 -0.03 0.00 0.10 0.00 0.00 59.98 59.54 2k2c h ARG 41 Cb 1.19 -0.14 -0.00 0.00 1.11 0.00 0.00 29.97 32.13 2k2c h ARG 41 CO 0.42 0.69 -0.15 1.37 0.10 0.00 0.00 179.97 182.41 2k2c h LEU 42 N 0.74 0.00 -1.08 0.08 -0.00 -1.97 -2.47 115.31 110.61 2k2c h LEU 42 Ca 0.18 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 58.02 2k2c h LEU 42 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 2k2c h LEU 42 CO -0.02 0.15 -0.21 0.00 -0.00 0.00 0.00 178.44 178.36 2k2c h HIS 44 N 0.00 -0.07 0.00 0.00 -0.00 -1.42 -3.37 115.15 110.29 2k2c h HIS 44 Ca -0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 2k2c h HIS 44 Cb 0.75 0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 28.19 2k2c h HIS 44 CO 0.00 0.50 -0.10 0.22 -0.00 0.00 0.00 177.93 178.55 2k2c h ASP 45 N -0.74 0.00 0.62 3.26 3.58 -1.15 -0.97 116.42 121.02 2k2c h ASP 45 Ca -0.01 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.32 2k2c h ASP 45 Cb 0.61 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 2k2c h ASP 45 CO 0.01 0.10 -0.57 -1.13 -2.88 0.00 0.00 179.24 174.77 2k2c h ASN 46 N 0.00 0.00 0.15 2.28 -0.00 -1.30 -3.31 115.58 113.40 2k2c h ASN 46 Ca -0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 56.30 55.95 2k2c h ASN 46 Cb 0.18 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 38.45 2k2c h ASN 46 CO 0.01 0.57 -2.17 0.59 -0.00 0.00 0.00 177.43 176.43 2k2c n ASN 47 N -3.80 1.06 -4.82 1.15 3.02 -0.69 -5.01 115.26 106.16 2k2c n ASN 47 Ca -0.01 0.11 -0.22 0.00 -0.03 0.00 0.00 54.58 54.44 2k2c n ASN 47 Cb 0.58 0.07 -0.04 0.00 -0.61 0.00 0.00 39.78 39.78 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 -2.54 2.76 0.25 3.52 2.02 -0.45 -5.04 118.70 119.22 2k2c s GLU 48 Ca -0.17 -1.22 0.11 0.00 0.02 0.00 0.00 54.97 53.72 2k2c s GLU 48 Cb 0.07 -2.48 0.25 0.00 0.10 0.00 0.00 34.13 32.08 2k2c s GLU 48 CO 0.77 0.23 1.54 0.38 0.02 0.00 0.00 175.26 178.20 2k2c h ASP 49 N 1.40 0.00 -1.56 -0.19 2.03 -1.89 -3.44 116.42 112.77 2k2c h ASP 49 Ca -0.46 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.29 2k2c h ASP 49 Cb 1.25 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.67 2k2c h ASP 49 CO 0.60 0.67 -0.47 -1.38 -1.03 0.00 0.00 179.24 177.62 2k2c s HIS 50 N -3.36 2.61 0.19 4.15 -3.43 -1.26 -5.13 115.29 109.06 2k2c s HIS 50 Ca -0.00 -0.58 -0.14 0.00 -0.80 0.00 0.00 55.06 53.54 2k2c s HIS 50 Cb 0.12 -2.00 -0.07 0.00 -1.43 0.00 0.00 32.58 29.19 2k2c s HIS 50 CO 0.76 0.12 0.60 1.14 -2.00 0.00 0.00 174.74 175.36 2k2c s GLN 51 N -3.95 4.00 -0.27 -0.38 -2.07 -1.26 -4.54 119.66 111.18 2k2c s GLN 51 Ca 0.42 0.53 -0.09 0.00 -1.82 0.00 0.00 55.36 54.41 2k2c s GLN 51 Cb 0.03 -2.82 -0.03 0.00 -1.09 0.00 0.00 33.01 29.09 2k2c s GLN 51 CO 0.23 0.40 0.13 -1.17 -1.32 0.00 0.00 175.29 173.56 2k2c s LEU 52 N -2.22 3.75 -0.18 2.60 0.20 -1.26 -5.01 118.68 116.56 2k2c s LEU 52 Ca 0.42 -0.19 -0.13 0.00 0.69 0.00 0.00 54.13 54.92 2k2c s LEU 52 Cb -0.14 -2.00 -0.05 0.00 -0.43 0.00 0.00 46.19 43.57 2k2c s LEU 52 CO 0.20 -0.07 0.26 -0.62 -0.29 0.00 0.00 176.35 175.83 2k2c s ASP 53 N 1.66 6.36 0.00 3.68 2.15 -1.26 -4.71 116.67 124.55 2k2c s ASP 53 Ca 0.06 0.41 0.17 0.00 0.43 0.00 0.00 52.55 53.62 2k2c s ASP 53 Cb -0.16 -2.16 0.81 0.00 -0.30 0.00 0.00 42.92 41.11 2k2c s ASP 53 CO 0.07 0.09 1.50 -2.11 -0.17 0.00 0.00 175.17 174.54 2k2c n ARG 54 N 3.75 0.18 0.05 4.34 1.85 -1.26 -1.51 116.66 124.06 2k2c n ARG 54 Ca -0.13 0.15 0.09 0.00 -1.00 0.00 0.00 57.85 56.97 2k2c n ARG 54 Cb 0.52 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.36 2k2c n ARG 54 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2k2c n PHE 55 N -1.34 0.61 0.12 2.89 3.01 -1.26 -4.13 117.46 117.36 2k2c n PHE 55 Ca 0.07 0.18 -0.01 0.00 1.01 0.00 0.00 57.45 58.70 2k2c n PHE 55 Cb 0.15 -0.82 0.05 0.00 -0.01 0.00 0.00 39.48 38.85 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 0.00 -7.28 -1.08 1.79 -1.62 -3.46 116.57 104.92 2k2c h LYS 56 Ca -0.04 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.94 2k2c h LYS 56 Cb 1.10 0.00 0.17 0.00 -1.58 0.00 0.00 32.23 31.92 2k2c h LYS 56 CO 0.01 0.70 0.22 0.14 -1.08 0.00 0.00 179.45 179.44 2k2c s VAL 57 N -3.11 2.54 0.00 0.50 -7.23 -1.23 -4.74 120.40 107.13 2k2c s VAL 57 Ca 0.01 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.36 2k2c s VAL 57 Cb 0.10 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.59 2k2c s VAL 57 CO 0.77 -0.23 0.00 1.17 -0.31 0.00 0.00 175.10 176.50 2k2c n LYS 58 N -4.06 0.00 -2.81 4.82 3.00 -1.26 -5.03 118.16 112.83 2k2c n LYS 58 Ca 0.08 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.20 2k2c n LYS 58 Cb 0.53 -0.06 0.03 0.00 0.00 0.00 0.00 35.03 35.54 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 -1.83 2.60 0.36 1.64 2.02 -1.26 -1.51 118.70 120.72 2k2c s GLU 59 Ca 0.00 -1.04 -0.02 0.00 0.02 0.00 0.00 54.97 53.93 2k2c s GLU 59 Cb 0.00 -2.60 0.01 0.00 0.10 0.00 0.00 34.13 31.63 2k2c s GLU 59 CO 0.00 -0.58 0.50 0.14 0.02 0.00 0.00 175.26 175.34 2k2c s VAL 60 N -2.61 0.00 0.14 2.63 -7.23 -0.15 -1.84 120.40 111.35 2k2c s VAL 60 Ca 0.57 -1.59 -0.03 0.00 -1.81 0.00 0.00 61.98 59.12 2k2c s VAL 60 Cb -0.10 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 2k2c s VAL 60 CO 0.37 0.00 0.11 0.00 -0.31 0.00 0.00 175.10 175.27 2k2c s GLN 61 N -2.88 0.99 -0.32 4.82 -2.07 -0.49 -2.17 119.66 117.54 2k2c s GLN 61 Ca 0.31 -1.39 -0.15 0.00 -1.82 0.00 0.00 55.36 52.31 2k2c s GLN 61 Cb -0.01 0.27 -0.02 0.00 -1.09 0.00 0.00 33.01 32.17 2k2c s GLN 61 CO 0.22 -0.30 0.38 0.00 -1.32 0.00 0.00 175.29 174.26 2k2c n ILE 63 N 5.22 4.50 0.07 0.00 5.41 -0.74 -0.72 119.36 133.11 2k2c n ILE 63 Ca -0.08 -3.44 0.00 0.00 1.00 0.00 0.00 62.75 60.22 2k2c n ILE 63 Cb 0.50 -2.41 0.00 0.00 -0.71 0.00 0.00 39.64 37.02 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 3.39 -1.33 0.00 4.38 2.85 -1.26 -4.15 115.26 119.15 2k2c n ASN 64 Ca 0.65 0.30 0.00 0.00 -0.11 0.00 0.00 54.58 55.41 2k2c n ASN 64 Cb 0.28 1.55 0.00 0.00 1.24 0.00 0.00 39.78 42.84 2k2c n ASN 64 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k2c n GLU 66 N -0.00 -1.68 -1.86 0.00 1.02 0.10 -4.95 120.64 113.27 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 0.11 -5.65 -0.03 0.00 -0.02 0.00 0.00 31.44 25.85 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 -4.87 3.85 -0.55 3.49 2.47 -1.26 -4.76 119.74 118.11 2k2c s LYS 67 Ca 0.00 2.13 -0.26 0.00 -1.56 0.00 0.00 55.97 56.27 2k2c s LYS 67 Cb 0.00 -4.13 0.03 0.00 -1.46 0.00 0.00 37.83 32.27 2k2c s LYS 67 CO 0.00 -1.26 1.06 0.42 0.16 0.00 0.00 175.35 175.73 2k2c s ILE 68 N 5.36 4.22 0.34 5.43 -1.09 -1.26 -1.87 121.20 132.32 2k2c s ILE 68 Ca 0.83 0.66 0.04 0.00 -2.23 0.00 0.00 60.65 59.95 2k2c s ILE 68 Cb -0.34 -4.62 -0.06 0.00 -1.58 0.00 0.00 42.46 35.87 2k2c s ILE 68 CO 0.34 -1.18 0.06 0.00 -1.23 0.00 0.00 174.94 172.93 2k2c s GLN 69 N 4.41 1.72 0.80 2.79 -2.07 -0.92 -5.02 119.66 121.36 2k2c s GLN 69 Ca 0.38 -1.97 -0.12 0.00 -1.82 0.00 0.00 55.36 51.83 2k2c s GLN 69 Cb -0.10 -0.92 0.07 0.00 -1.09 0.00 0.00 33.01 30.97 2k2c s GLN 69 CO 0.23 -0.21 1.11 -1.01 -1.32 0.00 0.00 175.29 174.10 2k2c s HIS 70 N -3.23 2.91 -0.56 9.60 3.76 -1.26 -0.98 115.29 125.52 2k2c s HIS 70 Ca 0.34 1.02 -0.26 0.00 -0.15 0.00 0.00 55.06 56.02 2k2c s HIS 70 Cb 0.08 -3.20 -0.08 0.00 1.11 0.00 0.00 32.58 30.48 2k2c s HIS 70 CO 0.15 -1.74 2.41 0.00 -0.85 0.00 0.00 174.74 174.72 2k2c s ALA 71 N -3.28 1.41 0.14 -1.40 0.00 -0.57 -4.46 121.76 113.60 2k2c s ALA 71 Ca 0.61 -0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.43 2k2c s ALA 71 Cb -0.13 -4.40 -0.04 0.00 0.00 0.00 0.00 23.12 18.54 2k2c s ALA 71 CO 0.53 -4.80 -0.07 -1.14 0.00 0.00 0.00 175.76 170.28 2k2c s GLN 72 N 8.42 0.99 0.07 0.00 0.74 -1.26 -4.96 119.66 123.66 2k2c s GLN 72 Ca 0.96 -1.43 -0.01 0.00 0.05 0.00 0.00 55.36 54.94 2k2c s GLN 72 Cb -0.16 -0.40 -0.27 0.00 1.10 0.00 0.00 33.01 33.28 2k2c s GLN 72 CO 0.22 0.00 1.10 0.37 -0.55 0.00 0.00 175.29 176.43 2k2c h GLN 73 N 2.83 0.20 -5.33 1.67 5.75 -1.96 -3.47 115.11 114.79 2k2c h GLN 73 Ca -0.36 -0.34 -0.39 0.00 -0.15 0.00 0.00 58.65 57.41 2k2c h GLN 73 Cb 1.18 0.13 -0.15 0.00 1.07 0.00 0.00 27.48 29.71 2k2c h GLN 73 CO 0.64 1.13 -0.73 0.99 -2.65 0.00 0.00 178.83 178.21 2k2c s THR 74 N -2.66 1.46 -0.39 2.39 2.01 -1.26 -1.40 115.64 115.79 2k2c s THR 74 Ca -0.04 -2.12 -0.18 0.00 0.31 0.00 0.00 61.69 59.66 2k2c s THR 74 Cb 0.08 -1.93 0.01 0.00 0.01 0.00 0.00 72.50 70.67 2k2c s THR 74 CO 0.86 -0.66 0.50 0.00 -0.69 0.00 0.00 174.62 174.64 2k2c h GLU 76 N 8.65 0.06 -0.28 0.00 9.09 -1.96 0.34 114.58 130.48 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 1.11 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 28.19 2k2c h GLU 76 CO 0.80 0.04 -0.28 1.49 0.05 0.00 0.00 179.01 181.11 2k2c h GLU 77 N 0.07 0.58 0.00 1.06 4.57 -1.99 -3.39 114.58 115.48 2k2c h GLU 77 Ca 0.17 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2k2c h GLU 77 Cb 0.60 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 2k2c h GLU 77 CO -0.01 0.80 -0.19 0.00 -1.18 0.00 0.00 179.01 178.42 2k2c n SER 79 N 0.00 -5.27 -4.57 0.00 7.64 0.12 -4.93 113.62 106.60 2k2c n SER 79 Ca 0.00 0.45 -0.41 0.00 1.01 0.00 0.00 58.87 59.91 2k2c n SER 79 Cb 0.58 -4.42 -0.03 0.00 -1.01 0.00 0.00 64.21 59.33 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 -2.71 3.63 -0.42 0.44 2.01 -1.22 -4.72 115.64 112.65 2k2c s THR 80 Ca 0.00 0.53 -0.29 0.00 0.31 0.00 0.00 61.69 62.25 2k2c s THR 80 Cb 0.00 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.35 2k2c s THR 80 CO 0.00 -0.95 1.50 -0.22 -0.69 0.00 0.00 174.62 174.26 2k2c s LEU 81 N 6.91 3.54 0.37 4.42 2.96 -1.26 -1.19 118.68 134.43 2k2c s LEU 81 Ca 0.61 0.83 0.12 0.00 -0.22 0.00 0.00 54.13 55.47 2k2c s LEU 81 Cb -0.13 -3.45 0.73 0.00 0.50 0.00 0.00 46.19 43.84 2k2c s LEU 81 CO 0.26 -1.55 1.84 -0.26 -1.32 0.00 0.00 176.35 175.32 2k2c h PHE 82 N 11.29 0.06 -2.19 5.38 0.04 -1.56 -3.42 116.94 126.53 2k2c h PHE 82 Ca -0.28 -0.01 0.21 0.00 2.80 0.00 0.00 57.97 60.68 2k2c h PHE 82 Cb 1.12 -0.01 -0.08 0.00 2.20 0.00 0.00 35.95 39.17 2k2c h PHE 82 CO 0.98 0.38 0.56 0.20 -0.60 0.00 0.00 178.31 179.83 2k2c s GLY 83 N -4.26 -0.23 -0.12 -1.45 0.00 -1.26 -2.54 107.32 97.46 2k2c s GLY 83 Ca -0.03 0.18 -0.23 0.00 0.00 0.00 0.00 44.72 44.64 2k2c s GLY 83 CO 0.73 0.27 0.68 0.83 0.00 0.00 0.00 173.10 175.60 2k2c h GLU 84 N 2.00 0.13 -6.02 2.90 5.08 -1.57 -3.45 114.58 113.64 2k2c h GLU 84 Ca -0.26 -0.22 -0.58 0.00 -1.00 0.00 0.00 59.36 57.30 2k2c h GLU 84 Cb 1.22 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.50 2k2c h GLU 84 CO 0.27 1.11 -0.07 -0.47 -1.00 0.00 0.00 179.01 178.85 2k2c s TYR 85 N -2.35 3.67 0.14 4.33 6.14 -0.03 -4.83 117.35 124.43 2k2c s TYR 85 Ca -0.19 1.12 0.09 0.00 0.64 0.00 0.00 57.07 58.72 2k2c s TYR 85 Cb 0.01 -2.53 -0.04 0.00 0.42 0.00 0.00 41.96 39.81 2k2c s TYR 85 CO 0.73 0.39 -0.20 1.52 0.64 0.00 0.00 175.55 178.63 2k2c s TYR 86 N -0.28 1.88 -0.30 4.97 1.13 -1.26 -2.02 117.35 121.46 2k2c s TYR 86 Ca 0.29 -0.43 -0.06 0.00 -1.41 0.00 0.00 57.07 55.46 2k2c s TYR 86 Cb -0.18 -0.97 0.17 0.00 -1.10 0.00 0.00 41.96 39.88 2k2c s TYR 86 CO 0.15 0.30 0.70 0.00 -2.51 0.00 0.00 175.55 174.20 2k2c h ASP 88 N 7.96 0.48 -0.00 0.00 2.03 -1.93 -0.58 116.42 124.38 2k2c h ASP 88 Ca -0.20 -0.30 -0.00 0.00 -0.73 0.00 0.00 57.03 55.80 2k2c h ASP 88 Cb 1.15 -0.14 -0.00 0.00 -0.83 0.00 0.00 39.33 39.51 2k2c h ASP 88 CO 0.16 1.02 0.00 0.40 -1.03 0.00 0.00 179.24 179.79 2k2c h ILE 89 N 0.29 1.12 0.00 4.15 2.04 -1.96 -2.75 117.51 120.39 2k2c h ILE 89 Ca -0.02 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.49 2k2c h ILE 89 Cb 1.24 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 2k2c h ILE 89 CO 0.12 0.09 -0.03 0.00 0.00 0.00 0.00 178.15 178.32 2k2c n HIS 91 N -2.72 -0.21 -3.72 0.00 8.25 -0.24 -4.57 115.22 112.02 2k2c n HIS 91 Ca 0.05 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.15 2k2c n HIS 91 Cb 0.49 -3.10 -0.09 0.00 1.12 0.00 0.00 29.99 28.41 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 -4.20 4.12 -0.21 2.41 0.05 -1.11 -4.96 118.68 114.77 2k2c s LEU 92 Ca 0.00 0.15 -0.01 0.00 0.05 0.00 0.00 54.13 54.32 2k2c s LEU 92 Cb 0.00 -2.08 0.06 0.00 -2.05 0.00 0.00 46.19 42.11 2k2c s LEU 92 CO 0.00 0.12 -0.01 -0.36 -0.55 0.00 0.00 176.35 175.55 2k2c s PHE 93 N 0.72 1.72 0.37 3.48 0.08 -1.26 -2.46 117.98 120.64 2k2c s PHE 93 Ca 0.07 -1.31 -0.10 0.00 0.12 0.00 0.00 56.93 55.72 2k2c s PHE 93 Cb -0.12 -1.31 0.03 0.00 -0.57 0.00 0.00 43.02 41.05 2k2c s PHE 93 CO 0.01 -0.69 0.67 0.16 -0.10 0.00 0.00 175.22 175.27 2k2c s ASP 94 N 1.62 0.39 0.51 1.36 -4.77 -0.86 -4.40 116.67 110.53 2k2c s ASP 94 Ca -0.03 -1.29 -0.23 0.00 -3.30 0.00 0.00 52.55 47.70 2k2c s ASP 94 Cb -0.18 0.78 -0.06 0.00 -1.09 0.00 0.00 42.92 42.37 2k2c s ASP 94 CO -0.07 -1.54 1.39 -0.54 0.70 0.00 0.00 175.17 175.11 2k2c s LYS 95 N -2.59 3.31 -0.39 2.11 1.02 -1.25 -0.85 119.74 121.11 2k2c s LYS 95 Ca 0.22 2.33 -0.16 0.00 0.02 0.00 0.00 55.97 58.37 2k2c s LYS 95 Cb -0.03 -2.40 0.01 0.00 -0.52 0.00 0.00 37.83 34.89 2k2c s LYS 95 CO 0.15 -1.08 0.36 0.34 -0.92 0.00 0.00 175.35 174.20 2k2c s ASP 96 N -0.77 6.16 -0.53 2.83 2.15 -1.26 -4.56 116.67 120.69 2k2c s ASP 96 Ca 0.68 -0.55 0.06 0.00 0.43 0.00 0.00 52.55 53.16 2k2c s ASP 96 Cb -0.42 -2.19 0.21 0.00 -0.30 0.00 0.00 42.92 40.22 2k2c s ASP 96 CO 0.52 -0.44 0.52 0.29 -0.17 0.00 0.00 175.17 175.89 2k2c n LYS 97 N 5.39 1.27 -1.97 4.34 5.02 -1.26 -4.85 118.16 126.11 2k2c n LYS 97 Ca -0.09 -3.85 -0.18 0.00 -2.02 0.00 0.00 58.31 52.17 2k2c n LYS 97 Cb 0.48 -1.83 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 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 1.77 -1.35 -2.54 1.97 4.76 -1.26 -3.72 118.16 117.79 2k2c n LYS 98 Ca 0.25 0.99 -0.35 0.00 -2.87 0.00 0.00 58.31 56.33 2k2c n LYS 98 Cb 0.45 -5.38 -0.04 0.00 -1.84 0.00 0.00 35.03 28.22 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 -4.27 3.95 -0.11 1.97 0.74 -1.26 -3.03 119.66 117.66 2k2c s GLN 99 Ca 0.00 1.44 -0.05 0.00 0.05 0.00 0.00 55.36 56.80 2k2c s GLN 99 Cb 0.00 -2.29 0.05 0.00 1.10 0.00 0.00 33.01 31.87 2k2c s GLN 99 CO 0.00 -0.31 0.24 1.52 -0.55 0.00 0.00 175.29 176.19 2k2c s TYR 100 N -1.83 -0.33 -0.70 1.67 1.13 -1.26 -4.95 117.35 111.07 2k2c s TYR 100 Ca 0.63 0.80 -0.27 0.00 -1.41 0.00 0.00 57.07 56.82 2k2c s TYR 100 Cb -0.19 0.02 0.02 0.00 -1.10 0.00 0.00 41.96 40.71 2k2c s TYR 100 CO 0.23 -0.25 1.41 -1.58 -2.51 0.00 0.00 175.55 172.86 2k2c s HIS 101 N 1.48 2.15 0.06 -3.49 2.46 -1.26 -4.23 115.29 112.46 2k2c s HIS 101 Ca -0.07 0.16 -0.30 0.00 0.47 0.00 0.00 55.06 55.32 2k2c s HIS 101 Cb -0.11 -4.50 -0.05 0.00 -0.13 0.00 0.00 32.58 27.80 2k2c s HIS 101 CO -0.08 -2.12 1.00 0.00 -2.47 0.00 0.00 174.74 171.07 2k2c h GLU 103 N 6.21 0.65 -0.14 0.00 5.08 -1.94 -0.12 114.58 124.32 2k2c h GLU 103 Ca -0.42 -0.65 -0.18 0.00 -1.00 0.00 0.00 59.36 57.11 2k2c h GLU 103 Cb 1.22 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 2k2c h GLU 103 CO 0.74 1.25 -0.65 -0.91 -1.00 0.00 0.00 179.01 178.45 2k2c h ASN 104 N 0.30 0.61 1.45 1.42 4.21 -1.94 -2.81 115.58 118.81 2k2c h ASN 104 Ca -0.10 -0.36 -0.11 0.00 1.21 0.00 0.00 56.30 56.94 2k2c h ASN 104 Cb 1.53 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 38.54 2k2c h ASN 104 CO 0.17 1.09 -0.55 0.00 -1.29 0.00 0.00 177.43 176.86 2k2c n GLY 106 N 1.24 0.52 3.26 0.00 0.00 -0.08 -4.99 105.19 105.13 2k2c n GLY 106 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.08 0.00 -0.16 -0.61 -4.36 -1.05 -4.92 121.20 108.03 2k2c s ILE 107 Ca 0.00 -1.97 -0.04 0.00 -0.26 0.00 0.00 60.65 58.38 2k2c s ILE 107 Cb 0.00 -2.50 0.08 0.00 1.25 0.00 0.00 42.46 41.29 2k2c s ILE 107 CO 0.00 0.00 0.24 0.00 0.24 0.00 0.00 174.94 175.42 2k2c s ARG 109 N 2.37 1.31 -0.39 0.00 1.81 -1.26 -4.94 118.95 117.85 2k2c s ARG 109 Ca 0.04 -1.68 -0.28 0.00 -1.72 0.00 0.00 55.73 52.09 2k2c s ARG 109 Cb -0.14 -0.26 -0.07 0.00 -0.45 0.00 0.00 34.95 34.03 2k2c s ARG 109 CO -0.10 -0.24 2.33 -0.89 -0.68 0.00 0.00 175.30 175.72 2k2c n ILE 110 N -0.39 0.12 -3.18 1.52 2.08 -1.26 -4.23 119.36 114.02 2k2c n ILE 110 Ca -0.02 -0.57 0.04 0.00 0.56 0.00 0.00 62.75 62.76 2k2c n ILE 110 Cb 0.65 -2.47 -0.02 0.00 -0.75 0.00 0.00 39.64 37.05 2k2c n ILE 110 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 2k2c s GLY 111 N 9.97 -0.62 -0.17 7.39 0.00 -1.24 -5.03 107.32 117.61 2k2c s GLY 111 Ca 1.02 2.39 -0.29 0.00 0.00 0.00 0.00 44.72 47.84 2k2c s GLY 111 CO 0.33 3.57 1.84 2.56 0.00 0.00 0.00 173.10 181.41 2k2c s PRO 112 N 2.88 3.69 0.61 2.90 0.04 -1.25 -4.09 135.00 139.78 2k2c s PRO 112 Ca 0.08 1.94 0.32 0.00 0.04 0.00 0.00 61.00 63.39 2k2c s PRO 112 Cb -0.12 -4.15 1.92 0.00 0.04 0.00 0.00 34.50 32.19 2k2c s PRO 112 CO -0.16 -1.43 2.26 1.57 0.04 0.00 0.00 177.00 179.28 2k2c h LYS 113 N 11.80 0.00 -0.58 4.56 2.10 -1.71 0.12 116.57 132.85 2k2c h LYS 113 Ca -0.39 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.20 2k2c h LYS 113 Cb 1.19 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.50 2k2c h LYS 113 CO 0.98 0.00 0.13 1.05 -2.00 0.00 0.00 179.45 179.61 2k2c h GLU 114 N 0.00 0.94 0.00 0.07 9.09 -1.89 -3.35 114.58 119.44 2k2c h GLU 114 Ca 0.01 -0.24 -0.13 0.00 0.05 0.00 0.00 59.36 59.06 2k2c h GLU 114 Cb 0.06 -0.12 -0.02 0.00 -1.65 0.00 0.00 28.75 27.02 2k2c h GLU 114 CO -0.00 0.88 -0.68 -0.44 0.05 0.00 0.00 179.01 178.82 2k2c h ASP 115 N 0.84 0.01 -3.63 3.06 5.19 -1.48 -3.45 116.42 116.96 2k2c h ASP 115 Ca 0.18 -0.74 -0.62 0.00 -0.62 0.00 0.00 57.03 55.23 2k2c h ASP 115 Cb 0.37 -0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.74 2k2c h ASP 115 CO 0.01 1.27 -0.08 -0.36 -3.12 0.00 0.00 179.24 176.95 2k2c s PHE 116 N -2.30 3.25 0.10 4.55 0.40 0.24 -1.53 117.98 122.69 2k2c s PHE 116 Ca -0.24 0.52 0.08 0.00 -0.60 0.00 0.00 56.93 56.69 2k2c s PHE 116 Cb 0.02 -2.71 -0.03 0.00 0.51 0.00 0.00 43.02 40.81 2k2c s PHE 116 CO 0.64 -0.30 -0.20 -0.59 0.70 0.00 0.00 175.22 175.48 2k2c s PHE 117 N 2.26 1.69 0.01 0.36 -0.71 -0.01 -4.25 117.98 117.33 2k2c s PHE 117 Ca 0.19 -0.43 -0.18 0.00 -1.04 0.00 0.00 56.93 55.47 2k2c s PHE 117 Cb -0.16 -0.92 -0.06 0.00 -1.21 0.00 0.00 43.02 40.67 2k2c s PHE 117 CO 0.10 0.19 0.50 -1.58 -1.34 0.00 0.00 175.22 173.09 2k2c s HIS 118 N -1.25 3.72 -0.08 3.49 2.46 -1.26 -0.85 115.29 121.52 2k2c s HIS 118 Ca 0.06 1.11 -0.05 0.00 0.47 0.00 0.00 55.06 56.65 2k2c s HIS 118 Cb -0.10 -2.45 -0.04 0.00 -0.13 0.00 0.00 32.58 29.87 2k2c s HIS 118 CO 0.04 0.52 0.15 0.00 -2.47 0.00 0.00 174.74 172.97 2k2c h LEU 120 N 4.61 0.85-10.42 0.00 -0.00 -1.98 -3.40 115.31 104.98 2k2c h LEU 120 Ca -0.53 0.01 -0.45 0.00 -0.00 0.00 0.00 57.88 56.91 2k2c h LEU 120 Cb 1.21 -0.17 0.04 0.00 -0.00 0.00 0.00 40.66 41.74 2k2c h LEU 120 CO 0.61 0.56 -0.05 -0.54 -0.00 0.00 0.00 178.44 179.02 2k2c s LYS 121 N -6.08 2.84 0.03 0.17 -0.14 -1.26 -4.95 119.74 110.35 2k2c s LYS 121 Ca -0.13 -0.58 0.00 0.00 -1.36 0.00 0.00 55.97 53.91 2k2c s LYS 121 Cb 0.18 -2.51 0.00 0.00 -1.68 0.00 0.00 37.83 33.82 2k2c s LYS 121 CO 0.79 -0.48 0.00 0.00 -0.76 0.00 0.00 175.35 174.90 2k2c n ASN 123 N 0.93 0.00 -4.89 0.00 0.23 -1.26 -4.39 115.26 105.88 2k2c n ASN 123 Ca 0.00 -1.02 -0.23 0.00 -0.53 0.00 0.00 54.58 52.80 2k2c n ASN 123 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 2k2c n ASN 123 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 2k2c s LEU 124 N -1.62 4.08 -0.28 -4.53 2.96 -1.26 -4.39 118.68 113.64 2k2c s LEU 124 Ca 0.22 -0.04 -0.21 0.00 -0.22 0.00 0.00 54.13 53.87 2k2c s LEU 124 Cb 0.10 -2.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.15 2k2c s LEU 124 CO 0.17 -0.01 0.69 0.00 -1.32 0.00 0.00 176.35 175.87 2k2c s LEU 126 N 2.68 4.09 0.46 0.00 2.01 -0.03 -4.81 118.68 123.08 2k2c s LEU 126 Ca 0.28 0.55 -0.03 0.00 0.01 0.00 0.00 54.13 54.95 2k2c s LEU 126 Cb -0.15 -3.37 -0.02 0.00 0.01 0.00 0.00 46.19 42.66 2k2c s LEU 126 CO 0.10 -0.18 0.72 0.00 1.01 0.00 0.00 176.35 178.00 2k2c s ALA 127 N -2.09 3.54 0.48 4.21 0.00 -1.26 -0.83 121.76 125.81 2k2c s ALA 127 Ca 0.41 -0.77 0.28 0.00 0.00 0.00 0.00 51.96 51.88 2k2c s ALA 127 Cb -0.10 -2.37 1.57 0.00 0.00 0.00 0.00 23.12 22.22 2k2c s ALA 127 CO 0.31 -0.34 2.14 0.52 0.00 0.00 0.00 175.76 178.39 2k2c h MET 128 N 0.33 0.00 0.00 0.00 2.86 -1.63 -1.12 114.93 115.38 2k2c h MET 128 Ca -0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 2k2c h MET 128 Cb 1.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.89 2k2c h MET 128 CO 0.60 0.08 -0.23 -0.91 1.06 0.00 0.00 176.91 177.52 2k2c h ASN 129 N 0.00 0.00 0.40 1.22 4.21 -1.94 -3.30 115.58 116.17 2k2c h ASN 129 Ca -0.00 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.49 2k2c h ASN 129 Cb 0.21 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.41 2k2c h ASN 129 CO 0.01 0.01 -0.29 -0.11 -1.29 0.00 0.00 177.43 175.77 2k2c n LEU 130 N -2.71 0.67 -4.70 1.61 0.00 -0.44 -4.97 117.00 106.46 2k2c n LEU 130 Ca 0.04 -0.07 -0.43 0.00 0.00 0.00 0.00 56.01 55.55 2k2c n LEU 130 Cb 0.50 -0.20 -0.01 0.00 0.00 0.00 0.00 43.42 43.71 2k2c n LEU 130 CO 0.34 0.14 0.94 0.00 0.00 0.00 0.00 177.39 178.81 2k2c n GLN 131 N -1.05 2.17 0.00 1.96 10.64 -1.10 -2.60 117.38 127.40 2k2c n GLN 131 Ca 0.10 0.76 0.00 0.00 -1.83 0.00 0.00 57.00 56.04 2k2c n GLN 131 Cb 0.33 -2.37 0.00 0.00 -0.86 0.00 0.00 30.24 27.34 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 0.95 2.21 0.30 2.61 0.00 -1.26 -4.80 105.19 105.20 2k2c n GLY 132 Ca 0.05 -0.49 -0.07 0.00 0.00 0.00 0.00 46.02 45.52 2k2c n GLY 132 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2k2c h ARG 133 N 0.00 1.03 -5.97 1.61 3.08 -1.88 -3.39 114.38 108.87 2k2c h ARG 133 Ca 0.00 -0.18 -0.52 0.00 0.07 0.00 0.00 59.98 59.35 2k2c h ARG 133 Cb 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 2k2c h ARG 133 CO 0.00 0.85 1.42 -3.38 -1.07 0.00 0.00 179.97 177.79 2k2c s HIS 134 N -5.58 1.49 -0.44 3.04 -3.43 -1.25 -4.92 115.29 104.21 2k2c s HIS 134 Ca -0.13 0.92 -0.27 0.00 -0.80 0.00 0.00 55.06 54.78 2k2c s HIS 134 Cb 0.14 -3.95 -0.03 0.00 -1.43 0.00 0.00 32.58 27.31 2k2c s HIS 134 CO 0.81 -2.73 1.99 0.15 -2.00 0.00 0.00 174.74 172.96 2k2c s LYS 135 N 6.91 2.84 0.00 -0.38 1.02 -1.26 -4.63 119.74 124.23 2k2c s LYS 135 Ca 0.82 1.24 0.02 0.00 0.02 0.00 0.00 55.97 58.07 2k2c s LYS 135 Cb -0.19 -4.36 0.03 0.00 -0.52 0.00 0.00 37.83 32.80 2k2c s LYS 135 CO 0.27 -2.45 0.76 0.00 -0.92 0.00 0.00 175.35 173.01