#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 3.36 -0.36 -5.12 0.00 -1.26 -5.04 121.76 113.35 2k2c s ALA 2 Ca 0.00 -0.81 -0.09 0.00 0.00 0.00 0.00 51.96 51.06 2k2c s ALA 2 Cb 0.00 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.73 2k2c s ALA 2 CO 0.00 -1.69 0.17 0.00 0.00 0.00 0.00 175.76 174.24 2k2c s ALA 3 N 3.20 3.20 -0.31 0.00 0.00 -1.26 -5.06 121.76 121.53 2k2c s ALA 3 Ca 0.31 -1.71 -0.28 0.00 0.00 0.00 0.00 51.96 50.28 2k2c s ALA 3 Cb -0.13 -2.47 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 2k2c s ALA 3 CO 0.20 -1.34 1.92 0.95 0.00 0.00 0.00 175.76 177.49 2k2c s THR 4 N 1.51 3.34 -0.00 0.00 -4.23 -1.26 -4.77 115.64 110.23 2k2c s THR 4 Ca 0.01 0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 2k2c s THR 4 Cb -0.19 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.18 2k2c s THR 4 CO 0.05 -0.31 0.58 0.00 -0.54 0.00 0.00 174.62 174.40 2k2c n ALA 5 N 10.82 1.15 -2.56 3.99 0.00 -1.26 -5.04 120.51 127.61 2k2c n ALA 5 Ca 0.25 -0.58 -0.43 0.00 0.00 0.00 0.00 53.44 52.68 2k2c n ALA 5 Cb 0.47 -0.08 -0.04 0.00 0.00 0.00 0.00 19.45 19.80 2k2c n ALA 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k2c s ARG 6 N -0.00 3.54 0.00 0.00 3.00 -1.26 -4.81 118.95 119.42 2k2c s ARG 6 Ca 0.00 0.14 0.00 0.00 -1.00 0.00 0.00 55.73 54.87 2k2c s ARG 6 Cb 0.00 -3.91 0.00 0.00 0.00 0.00 0.00 34.95 31.04 2k2c s ARG 6 CO 0.00 -1.14 0.00 -0.85 0.00 0.00 0.00 175.30 173.31 2k2c n GLU 7 N 6.95 0.00 -1.20 5.12 0.00 -1.26 -5.17 120.64 125.08 2k2c n GLU 7 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.28 2k2c n GLU 7 Cb 0.48 -0.53 -0.04 0.00 0.00 0.00 0.00 31.44 31.35 2k2c n GLU 7 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2k2c n ASP 8 N -2.57 -6.49 -1.54 -1.84 2.03 -1.26 -5.05 116.55 99.83 2k2c n ASP 8 Ca 0.00 1.33 -0.00 0.00 0.52 0.00 0.00 54.79 56.64 2k2c n ASP 8 Cb 0.33 -3.91 0.00 0.00 -0.72 0.00 0.00 41.12 36.82 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 -3.17 -0.97 3.55 0.27 0.00 -1.26 -5.11 105.19 98.51 2k2c n GLY 9 Ca -0.04 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 2.45 -0.72 4.61 0.00 -1.26 -4.94 121.76 121.89 2k2c s ALA 10 Ca 0.00 -1.30 -0.03 0.00 0.00 0.00 0.00 51.96 50.63 2k2c s ALA 10 Cb 0.01 -4.35 0.18 0.00 0.00 0.00 0.00 23.12 18.96 2k2c s ALA 10 CO -0.00 -3.70 0.57 0.95 0.00 0.00 0.00 175.76 173.58 2k2c s THR 11 N 7.13 4.06 -0.27 0.00 -4.23 -1.26 -5.02 115.64 116.05 2k2c s THR 11 Ca 0.50 -3.21 -0.01 0.00 -1.18 0.00 0.00 61.69 57.79 2k2c s THR 11 Cb -0.08 -3.59 0.09 0.00 1.34 0.00 0.00 72.50 70.25 2k2c s THR 11 CO 0.11 -0.96 0.07 -0.83 -0.54 0.00 0.00 174.62 172.48 2k2c s GLY 12 N 0.53 1.00 0.04 3.99 0.00 -1.26 -5.13 107.32 106.49 2k2c s GLY 12 Ca 0.20 -1.40 0.09 0.00 0.00 0.00 0.00 44.72 43.61 2k2c s GLY 12 CO -0.06 1.51 -0.26 1.85 0.00 0.00 0.00 173.10 176.13 2k2c s GLU 13 N 1.66 1.80 -0.43 2.90 2.56 -1.26 -5.10 118.70 120.82 2k2c s GLU 13 Ca 0.06 -1.10 0.05 0.00 0.00 0.00 0.00 54.97 53.98 2k2c s GLU 13 Cb -0.17 -1.97 0.17 0.00 2.00 0.00 0.00 34.13 34.16 2k2c s GLU 13 CO -0.19 0.51 0.51 -1.83 -0.56 0.00 0.00 175.26 173.70 2k2c s GLU 14 N -1.22 0.86 -0.34 4.30 -1.05 -1.26 -5.11 118.70 114.88 2k2c s GLU 14 Ca 0.12 -1.13 0.00 0.00 -0.15 0.00 0.00 54.97 53.80 2k2c s GLU 14 Cb -0.10 -0.56 0.11 0.00 -0.44 0.00 0.00 34.13 33.14 2k2c s GLU 14 CO 0.02 -1.28 0.13 0.50 0.95 0.00 0.00 175.26 175.58 2k2c s ARG 15 N 0.99 0.88 -0.33 -4.83 3.52 -1.26 -4.91 118.95 113.02 2k2c s ARG 15 Ca 0.25 -1.35 0.14 0.00 -0.13 0.00 0.00 55.73 54.64 2k2c s ARG 15 Cb -0.05 -2.10 0.42 0.00 -1.56 0.00 0.00 34.95 31.66 2k2c s ARG 15 CO -0.08 -1.04 1.47 0.41 -0.81 0.00 0.00 175.30 175.25 2k2c n GLY 16 N 4.47 1.97 3.80 8.12 0.00 -1.26 -5.14 105.19 117.15 2k2c n GLY 16 Ca 0.01 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 2k2c n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k2c s GLN 17 N -0.47 4.26 0.20 1.61 0.74 -1.26 -5.06 119.66 119.67 2k2c s GLN 17 Ca 0.13 0.78 -0.01 0.00 0.05 0.00 0.00 55.36 56.31 2k2c s GLN 17 Cb 0.43 -3.26 -0.04 0.00 1.10 0.00 0.00 33.01 31.24 2k2c s GLN 17 CO -0.11 0.59 0.11 -0.98 -0.55 0.00 0.00 175.29 174.35 2k2c s ARG 18 N -0.96 1.20 0.04 1.67 3.03 -1.26 -5.06 118.95 117.60 2k2c s ARG 18 Ca 0.30 -1.63 0.00 0.00 2.03 0.00 0.00 55.73 56.43 2k2c s ARG 18 Cb -0.20 0.18 0.00 0.00 -1.03 0.00 0.00 34.95 33.90 2k2c s ARG 18 CO 0.19 -0.36 0.00 0.41 -1.13 0.00 0.00 175.30 174.42 2k2c n GLY 19 N -0.28 -1.71 3.53 3.88 0.00 -1.17 -4.96 105.19 104.48 2k2c n GLY 19 Ca 0.01 -1.48 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 0.00 4.11 -2.04 -3.01 114.58 115.65 2k2c h GLU 21 Ca -0.29 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 58.91 2k2c h GLU 21 Cb 1.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 2k2c h GLU 21 CO 0.34 0.00 -1.47 0.72 0.07 0.00 0.00 179.01 178.66 2k2c n HIS 22 N -3.21 0.57 -4.19 2.06 8.25 -1.26 -5.00 115.22 112.45 2k2c n HIS 22 Ca -0.03 0.25 -0.19 0.00 -0.26 0.00 0.00 57.72 57.49 2k2c n HIS 22 Cb 0.08 -0.93 -0.16 0.00 1.12 0.00 0.00 29.99 30.10 2k2c n HIS 22 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2k2c s TYR 23 N -2.46 0.70 -0.45 4.41 2.02 -1.14 -5.11 117.35 115.33 2k2c s TYR 23 Ca -0.29 -0.17 -0.07 0.00 -0.37 0.00 0.00 57.07 56.16 2k2c s TYR 23 Cb 0.08 -0.58 0.11 0.00 -0.40 0.00 0.00 41.96 41.17 2k2c s TYR 23 CO 0.47 -0.14 0.29 -0.51 -1.57 0.00 0.00 175.55 174.10 2k2c s ASP 24 N 0.61 5.55 0.13 2.29 1.01 -1.25 -0.56 116.67 124.45 2k2c s ASP 24 Ca -0.08 -1.93 -0.07 0.00 0.71 0.00 0.00 52.55 51.18 2k2c s ASP 24 Cb -0.11 -1.95 -0.02 0.00 1.01 0.00 0.00 42.92 41.85 2k2c s ASP 24 CO 0.00 -0.64 0.19 0.00 0.21 0.00 0.00 175.17 174.93 2k2c s ARG 25 N 1.29 0.98 -0.44 8.23 1.70 -1.26 -1.94 118.95 127.50 2k2c s ARG 25 Ca 0.06 -1.17 0.04 0.00 -0.47 0.00 0.00 55.73 54.19 2k2c s ARG 25 Cb -0.25 0.33 0.64 0.00 -0.57 0.00 0.00 34.95 35.10 2k2c s ARG 25 CO -0.02 -0.32 1.87 0.41 -1.08 0.00 0.00 175.30 176.16 2k2c n GLY 26 N -0.12 4.64 3.19 3.88 0.00 -0.60 -3.03 105.19 113.14 2k2c n GLY 26 Ca -0.10 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.23 4.29 -0.41 0.00 1.43 -0.31 -4.58 118.68 118.87 2k2c s LEU 28 Ca -0.04 0.42 -0.28 0.00 -1.03 0.00 0.00 54.13 53.20 2k2c s LEU 28 Cb -0.03 -2.19 -0.00 0.00 0.03 0.00 0.00 46.19 44.00 2k2c s LEU 28 CO 0.01 0.23 1.60 -0.76 0.23 0.00 0.00 176.35 177.66 2k2c s LEU 29 N -0.09 3.51 -0.60 1.79 1.43 0.16 -1.50 118.68 123.38 2k2c s LEU 29 Ca 0.13 0.91 -0.27 0.00 -1.03 0.00 0.00 54.13 53.86 2k2c s LEU 29 Cb -0.12 -3.39 0.01 0.00 0.03 0.00 0.00 46.19 42.72 2k2c s LEU 29 CO 0.02 -1.65 1.46 -0.75 0.23 0.00 0.00 176.35 175.66 2k2c s LYS 30 N 5.45 3.17 -0.63 1.70 2.20 -0.89 -2.88 119.74 127.86 2k2c s LYS 30 Ca 0.68 0.34 -0.23 0.00 -0.36 0.00 0.00 55.97 56.40 2k2c s LYS 30 Cb -0.17 -4.18 0.06 0.00 -1.51 0.00 0.00 37.83 32.04 2k2c s LYS 30 CO 0.31 -2.10 0.96 0.00 -0.36 0.00 0.00 175.35 174.16 2k2c s ALA 31 N 6.46 3.12 -1.06 3.13 0.00 -0.77 -4.03 121.76 128.61 2k2c s ALA 31 Ca 0.51 -1.65 0.10 0.00 0.00 0.00 0.00 51.96 50.92 2k2c s ALA 31 Cb -0.11 -3.83 0.44 0.00 0.00 0.00 0.00 23.12 19.63 2k2c s ALA 31 CO 0.22 -2.67 1.31 -0.35 0.00 0.00 0.00 175.76 174.27 2k2c n PRO 32 N 7.68 0.02 -0.07 0.00 -0.04 -1.26 0.63 135.00 141.96 2k2c n PRO 32 Ca -0.02 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 2k2c n PRO 32 Cb 0.46 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.71 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 -4.81 -4.90 0.00 9.92 0.21 -4.98 116.55 111.99 2k2c n ASP 35 Ca 0.00 0.42 -0.29 0.00 -0.53 0.00 0.00 54.79 54.39 2k2c n ASP 35 Cb 0.36 -4.22 -0.03 0.00 -0.64 0.00 0.00 41.12 36.59 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 -3.44 3.66 -0.23 -1.24 1.02 -1.20 -4.72 119.74 113.59 2k2c s LYS 36 Ca 0.00 0.07 -0.04 0.00 0.02 0.00 0.00 55.97 56.02 2k2c s LYS 36 Cb 0.00 -2.63 -0.01 0.00 -0.52 0.00 0.00 37.83 34.67 2k2c s LYS 36 CO 0.00 0.21 -0.02 -0.51 -0.92 0.00 0.00 175.35 174.11 2k2c s LEU 37 N -3.46 3.06 -0.05 3.17 2.01 -1.26 -1.84 118.68 120.31 2k2c s LEU 37 Ca 0.45 -0.45 -0.02 0.00 0.01 0.00 0.00 54.13 54.11 2k2c s LEU 37 Cb -0.11 -1.76 0.03 0.00 0.01 0.00 0.00 46.19 44.36 2k2c s LEU 37 CO 0.29 -0.05 0.11 -0.31 1.01 0.00 0.00 176.35 177.40 2k2c s TYR 38 N 1.48 -0.12 0.13 0.29 2.02 -1.14 -4.93 117.35 115.08 2k2c s TYR 38 Ca 0.05 0.37 -0.20 0.00 -0.37 0.00 0.00 57.07 56.92 2k2c s TYR 38 Cb -0.15 -0.09 -0.03 0.00 -0.40 0.00 0.00 41.96 41.30 2k2c s TYR 38 CO -0.02 -0.13 1.70 1.15 -1.57 0.00 0.00 175.55 176.68 2k2c h THR 39 N 5.87 0.79 -2.95 -0.71 2.02 -1.89 0.49 112.91 116.53 2k2c h THR 39 Ca -0.40 0.00 -0.64 0.00 0.77 0.00 0.00 66.41 66.15 2k2c h THR 39 Cb 1.15 0.79 -0.06 0.00 -1.74 0.00 0.00 68.15 68.28 2k2c h THR 39 CO 0.44 0.00 -0.53 0.00 0.37 0.00 0.00 175.52 175.80 2k2c h ARG 41 N 3.64 0.58 0.00 0.00 0.11 -1.93 -2.90 114.38 113.88 2k2c h ARG 41 Ca -0.48 -0.13 -0.13 0.00 0.10 0.00 0.00 59.98 59.35 2k2c h ARG 41 Cb 1.18 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 32.16 2k2c h ARG 41 CO 0.69 0.60 -0.67 1.37 0.10 0.00 0.00 179.97 182.06 2k2c h LEU 42 N 0.55 0.00 -1.43 0.08 -0.00 -1.95 -2.98 115.31 109.59 2k2c h LEU 42 Ca 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.96 2k2c h LEU 42 Cb 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.00 2k2c h LEU 42 CO 0.01 0.58 -0.19 0.00 -0.00 0.00 0.00 178.44 178.84 2k2c h HIS 44 N 0.00 -0.62 -0.74 0.00 -0.00 -1.40 -3.29 115.15 109.10 2k2c h HIS 44 Ca -0.00 -0.01 0.12 0.00 -0.00 0.00 0.00 60.37 60.48 2k2c h HIS 44 Cb 0.59 0.20 -0.05 0.00 -0.00 0.00 0.00 27.41 28.15 2k2c h HIS 44 CO 0.00 -0.29 0.49 -0.44 -0.00 0.00 0.00 177.93 177.69 2k2c h ASP 45 N -0.97 0.48 -0.90 3.26 5.19 -1.34 0.79 116.42 122.94 2k2c h ASP 45 Ca -0.07 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 2k2c h ASP 45 Cb 0.60 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 39.99 2k2c h ASP 45 CO 0.11 0.27 0.57 -1.13 -3.12 0.00 0.00 179.24 175.94 2k2c h ASN 46 N 0.52 1.05 0.19 6.45 -1.24 -1.42 -3.20 115.58 117.94 2k2c h ASN 46 Ca 0.36 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.32 2k2c h ASN 46 Cb 0.66 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.45 2k2c h ASN 46 CO -0.12 0.78 -1.39 0.59 -1.29 0.00 0.00 177.43 176.00 2k2c n ASN 47 N -4.43 0.49 -4.89 1.15 3.02 -0.38 -4.97 115.26 105.25 2k2c n ASN 47 Ca 0.10 -0.29 -0.21 0.00 -0.03 0.00 0.00 54.58 54.15 2k2c n ASN 47 Cb 0.03 1.28 -0.03 0.00 -0.61 0.00 0.00 39.78 40.46 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 -3.28 2.84 0.33 3.52 0.41 0.13 -5.03 118.70 117.62 2k2c s GLU 48 Ca 0.00 -1.21 0.17 0.00 -0.41 0.00 0.00 54.97 53.52 2k2c s GLU 48 Cb 0.14 -2.57 0.19 0.00 -1.78 0.00 0.00 34.13 30.11 2k2c s GLU 48 CO 0.86 0.10 1.51 -0.44 -0.49 0.00 0.00 175.26 176.79 2k2c h ASP 49 N 1.16 0.00 -2.22 -0.19 5.19 -1.89 -3.45 116.42 115.02 2k2c h ASP 49 Ca -0.45 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.38 2k2c h ASP 49 Cb 1.25 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.63 2k2c h ASP 49 CO 0.57 0.37 -0.63 -1.38 -3.12 0.00 0.00 179.24 175.05 2k2c s HIS 50 N -3.06 2.30 0.15 4.55 -3.43 -1.26 -5.14 115.29 109.40 2k2c s HIS 50 Ca 0.04 -0.69 -0.10 0.00 -0.80 0.00 0.00 55.06 53.51 2k2c s HIS 50 Cb 0.07 -1.50 -0.06 0.00 -1.43 0.00 0.00 32.58 29.66 2k2c s HIS 50 CO 0.72 0.37 0.47 1.14 -2.00 0.00 0.00 174.74 175.44 2k2c s GLN 51 N -3.73 3.79 -0.56 -0.38 -2.07 -1.26 -4.47 119.66 110.99 2k2c s GLN 51 Ca 0.34 0.22 -0.18 0.00 -1.82 0.00 0.00 55.36 53.92 2k2c s GLN 51 Cb 0.07 -2.84 0.10 0.00 -1.09 0.00 0.00 33.01 29.25 2k2c s GLN 51 CO 0.16 0.45 0.62 -1.17 -1.32 0.00 0.00 175.29 174.03 2k2c s LEU 52 N -2.35 5.59 -0.44 2.60 0.20 -1.26 -5.03 118.68 117.99 2k2c s LEU 52 Ca 0.40 -1.48 -0.28 0.00 0.69 0.00 0.00 54.13 53.46 2k2c s LEU 52 Cb -0.13 -2.28 -0.01 0.00 -0.43 0.00 0.00 46.19 43.34 2k2c s LEU 52 CO 0.20 -0.99 1.68 -1.81 -0.29 0.00 0.00 176.35 175.14 2k2c s ASP 53 N 3.46 5.88 0.03 3.68 1.11 -1.26 -4.90 116.67 124.67 2k2c s ASP 53 Ca 0.09 0.84 0.01 0.00 0.18 0.00 0.00 52.55 53.67 2k2c s ASP 53 Cb -0.25 -2.53 0.06 0.00 1.07 0.00 0.00 42.92 41.27 2k2c s ASP 53 CO 0.06 -1.80 0.82 -2.11 1.18 0.00 0.00 175.17 173.32 2k2c n ARG 54 N 8.55 0.01 0.11 8.23 0.00 -1.26 -1.20 116.66 131.10 2k2c n ARG 54 Ca 0.19 0.30 0.08 0.00 -0.00 0.00 0.00 57.85 58.43 2k2c n ARG 54 Cb 0.49 -1.76 0.01 0.00 -0.00 0.00 0.00 32.46 31.20 2k2c n ARG 54 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.63 178.37 2k2c h PHE 55 N 0.00 0.00 0.03 2.89 0.04 -1.82 -3.38 116.94 114.71 2k2c h PHE 55 Ca 0.00 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.54 2k2c h PHE 55 Cb 0.46 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.59 2k2c h PHE 55 CO 0.00 0.20 -1.11 0.87 -0.60 0.00 0.00 178.31 177.67 2k2c h LYS 56 N 0.00 0.06 -6.97 1.51 1.79 -1.54 -3.46 116.57 107.95 2k2c h LYS 56 Ca -0.04 -0.10 -0.54 0.00 -2.18 0.00 0.00 60.65 57.79 2k2c h LYS 56 Cb 1.19 0.04 0.11 0.00 -1.58 0.00 0.00 32.23 31.98 2k2c h LYS 56 CO 0.02 1.01 0.69 0.14 -1.08 0.00 0.00 179.45 180.23 2k2c s VAL 57 N -2.69 2.22 0.00 0.50 -7.23 -1.26 -4.72 120.40 107.22 2k2c s VAL 57 Ca -0.01 0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.37 2k2c s VAL 57 Cb 0.09 -3.12 0.00 0.00 0.56 0.00 0.00 36.38 33.91 2k2c s VAL 57 CO 0.83 0.03 0.00 1.17 -0.31 0.00 0.00 175.10 176.82 2k2c n LYS 58 N -0.02 1.08 -4.10 4.82 3.00 -1.26 -4.98 118.16 116.70 2k2c n LYS 58 Ca 0.04 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.11 2k2c n LYS 58 Cb 0.42 -0.81 -0.07 0.00 0.00 0.00 0.00 35.03 34.58 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 -1.61 2.28 0.07 1.64 2.02 -1.26 -1.15 118.70 120.68 2k2c s GLU 59 Ca 0.00 -1.72 -0.09 0.00 0.02 0.00 0.00 54.97 53.19 2k2c s GLU 59 Cb 0.00 -2.07 -0.00 0.00 0.10 0.00 0.00 34.13 32.16 2k2c s GLU 59 CO 0.00 -0.02 0.18 0.14 0.02 0.00 0.00 175.26 175.58 2k2c s VAL 60 N -2.53 0.13 -0.32 2.63 -7.23 0.08 -2.10 120.40 111.06 2k2c s VAL 60 Ca 0.40 -1.08 -0.09 0.00 -1.81 0.00 0.00 61.98 59.40 2k2c s VAL 60 Cb 0.01 -1.15 0.01 0.00 0.56 0.00 0.00 36.38 35.81 2k2c s VAL 60 CO 0.23 -0.59 0.14 -1.10 -0.31 0.00 0.00 175.10 173.47 2k2c s GLN 61 N -3.28 3.10 -0.30 4.82 -1.52 -0.56 -2.29 119.66 119.62 2k2c s GLN 61 Ca 0.00 -0.88 -0.28 0.00 -1.95 0.00 0.00 55.36 52.26 2k2c s GLN 61 Cb 0.02 -3.55 -0.04 0.00 -0.22 0.00 0.00 33.01 29.23 2k2c s GLN 61 CO -0.08 -0.51 2.03 0.00 -0.25 0.00 0.00 175.29 176.48 2k2c n ILE 63 N 7.60 0.00 0.27 0.00 5.41 -0.62 0.25 119.36 132.28 2k2c n ILE 63 Ca 0.27 -0.00 0.06 0.00 1.00 0.00 0.00 62.75 64.08 2k2c n ILE 63 Cb 0.47 -0.36 -0.09 0.00 -0.71 0.00 0.00 39.64 38.95 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 -0.14 1.37 0.00 4.38 5.15 -1.26 -4.77 115.26 119.99 2k2c n ASN 64 Ca 0.00 -0.37 0.00 0.00 -0.60 0.00 0.00 54.58 53.61 2k2c n ASN 64 Cb 0.18 1.31 0.00 0.00 -0.53 0.00 0.00 39.78 40.74 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 -1.69 -2.99 0.00 4.71 0.14 -4.98 120.64 115.83 2k2c n GLU 66 Ca 0.00 0.97 -0.39 0.00 -0.01 0.00 0.00 57.16 57.73 2k2c n GLU 66 Cb 0.40 -5.53 -0.06 0.00 -1.01 0.00 0.00 31.44 25.24 2k2c n GLU 66 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 2k2c s LYS 67 N -4.60 4.54 -0.10 3.49 2.47 -1.24 -4.84 119.74 119.46 2k2c s LYS 67 Ca 0.00 1.13 -0.25 0.00 -1.56 0.00 0.00 55.97 55.29 2k2c s LYS 67 Cb 0.00 -3.28 -0.03 0.00 -1.46 0.00 0.00 37.83 33.06 2k2c s LYS 67 CO 0.00 0.52 0.78 0.42 0.16 0.00 0.00 175.35 177.23 2k2c s ILE 68 N -0.93 4.96 0.09 5.43 -1.09 -1.26 -1.55 121.20 126.85 2k2c s ILE 68 Ca 0.36 1.58 -0.05 0.00 -2.23 0.00 0.00 60.65 60.31 2k2c s ILE 68 Cb -0.23 -4.11 -0.02 0.00 -1.58 0.00 0.00 42.46 36.53 2k2c s ILE 68 CO 0.25 0.15 0.11 0.00 -1.23 0.00 0.00 174.94 174.22 2k2c s GLN 69 N 1.40 0.81 0.69 2.79 0.00 -0.97 -5.02 119.66 119.35 2k2c s GLN 69 Ca 0.39 -1.13 -0.13 0.00 -0.00 0.00 0.00 55.36 54.49 2k2c s GLN 69 Cb -0.18 0.29 0.01 0.00 0.00 0.00 0.00 33.01 33.13 2k2c s GLN 69 CO 0.17 -0.23 1.08 -1.01 0.00 0.00 0.00 175.29 175.30 2k2c s HIS 70 N -3.92 2.77 -0.65 9.60 3.76 -1.26 -0.74 115.29 124.86 2k2c s HIS 70 Ca 0.09 1.52 -0.26 0.00 -0.15 0.00 0.00 55.06 56.26 2k2c s HIS 70 Cb 0.06 -3.05 -0.03 0.00 1.11 0.00 0.00 32.58 30.67 2k2c s HIS 70 CO -0.08 -1.52 1.92 0.00 -0.85 0.00 0.00 174.74 174.21 2k2c s ALA 71 N -2.66 2.04 0.00 -1.40 0.00 -0.30 -4.68 121.76 114.75 2k2c s ALA 71 Ca 0.63 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2k2c s ALA 71 Cb -0.17 -4.35 0.00 0.00 0.00 0.00 0.00 23.12 18.60 2k2c s ALA 71 CO 0.47 -4.10 0.00 0.00 0.00 0.00 0.00 175.76 172.13 2k2c n GLN 72 N 9.13 0.00 0.02 0.00 10.64 -1.26 -4.96 117.38 130.95 2k2c n GLN 72 Ca 0.25 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.53 2k2c n GLN 72 Cb 0.51 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.84 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 0.00 0.42 -4.35 2.61 7.27 -1.26 -4.89 117.38 117.17 2k2c n GLN 73 Ca 0.00 -0.05 -0.25 0.00 0.07 0.00 0.00 57.00 56.77 2k2c n GLN 73 Cb 0.00 -1.59 -0.12 0.00 2.41 0.00 0.00 30.24 30.94 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 -3.30 2.02 -0.17 1.69 2.01 -1.26 -1.18 115.64 115.45 2k2c s THR 74 Ca -0.00 -1.80 -0.14 0.00 0.31 0.00 0.00 61.69 60.06 2k2c s THR 74 Cb 0.14 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 2k2c s THR 74 CO 0.84 -0.10 0.32 0.00 -0.69 0.00 0.00 174.62 174.99 2k2c h GLU 76 N 6.83 0.06 0.00 0.00 4.11 -1.97 -0.10 114.58 123.52 2k2c h GLU 76 Ca -0.40 -0.01 -0.21 0.00 0.07 0.00 0.00 59.36 58.81 2k2c h GLU 76 Cb 1.16 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 2k2c h GLU 76 CO 0.75 0.14 -1.51 -1.91 0.07 0.00 0.00 179.01 176.55 2k2c n GLU 77 N -4.42 0.62 -0.46 1.06 4.07 -1.26 -4.59 120.64 115.66 2k2c n GLU 77 Ca -0.02 0.25 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 2k2c n GLU 77 Cb 0.17 -1.81 0.00 0.00 -0.06 0.00 0.00 31.44 29.75 2k2c n GLU 77 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k2c n SER 79 N 0.00 -4.38 -4.68 0.00 7.64 -0.05 -4.90 113.62 107.25 2k2c n SER 79 Ca 0.00 0.31 -0.42 0.00 1.01 0.00 0.00 58.87 59.77 2k2c n SER 79 Cb 0.57 -3.89 -0.03 0.00 -1.01 0.00 0.00 64.21 59.86 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 -2.48 3.75 -0.42 0.44 2.01 -1.26 -4.58 115.64 113.10 2k2c s THR 80 Ca 0.00 1.09 -0.28 0.00 0.31 0.00 0.00 61.69 62.81 2k2c s THR 80 Cb 0.00 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 2k2c s THR 80 CO 0.00 -0.02 1.67 -0.22 -0.69 0.00 0.00 174.62 175.36 2k2c s LEU 81 N 2.73 3.48 0.52 4.42 2.96 -1.26 -2.07 118.68 129.46 2k2c s LEU 81 Ca 0.64 0.91 0.34 0.00 -0.22 0.00 0.00 54.13 55.80 2k2c s LEU 81 Cb -0.31 -3.30 1.48 0.00 0.50 0.00 0.00 46.19 44.57 2k2c s LEU 81 CO 0.26 -1.76 2.00 -0.26 -1.32 0.00 0.00 176.35 175.27 2k2c h PHE 82 N 12.51 0.00 -1.17 5.38 0.04 -1.48 -3.43 116.94 128.80 2k2c h PHE 82 Ca -0.30 0.00 0.26 0.00 2.80 0.00 0.00 57.97 60.73 2k2c h PHE 82 Cb 1.14 0.00 -0.24 0.00 2.20 0.00 0.00 35.95 39.06 2k2c h PHE 82 CO 0.98 0.00 0.91 0.20 -0.60 0.00 0.00 178.31 179.80 2k2c s GLY 83 N -4.05 -0.09 0.12 -1.45 0.00 -1.26 -1.56 107.32 99.02 2k2c s GLY 83 Ca 0.00 2.29 -0.20 0.00 0.00 0.00 0.00 44.72 46.82 2k2c s GLY 83 CO 0.48 0.86 1.78 0.83 0.00 0.00 0.00 173.10 177.05 2k2c h GLU 84 N 2.06 0.27 -6.45 2.90 4.39 -1.63 -3.43 114.58 112.69 2k2c h GLU 84 Ca -0.07 -0.02 -0.54 0.00 0.34 0.00 0.00 59.36 59.08 2k2c h GLU 84 Cb 1.16 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.72 2k2c h GLU 84 CO 0.22 0.18 -0.04 -0.47 -1.16 0.00 0.00 179.01 177.73 2k2c s TYR 85 N -6.17 3.52 0.00 4.33 5.04 0.24 -4.87 117.35 119.44 2k2c s TYR 85 Ca -0.13 1.06 0.03 0.00 -2.44 0.00 0.00 57.07 55.60 2k2c s TYR 85 Cb 0.08 -2.39 -0.01 0.00 0.35 0.00 0.00 41.96 39.99 2k2c s TYR 85 CO 0.69 0.32 -0.10 -0.47 -1.34 0.00 0.00 175.55 174.65 2k2c s TYR 86 N -1.66 0.87 -0.30 4.97 5.04 -1.26 -2.50 117.35 122.51 2k2c s TYR 86 Ca 0.44 -0.20 -0.02 0.00 -2.44 0.00 0.00 57.07 54.85 2k2c s TYR 86 Cb -0.13 -0.55 0.18 0.00 0.35 0.00 0.00 41.96 41.81 2k2c s TYR 86 CO 0.20 -0.01 0.60 0.00 -1.34 0.00 0.00 175.55 174.99 2k2c h ASP 88 N 8.01 0.13 0.18 0.00 2.03 -1.93 -1.17 116.42 123.67 2k2c h ASP 88 Ca -0.22 -0.12 0.01 0.00 -0.73 0.00 0.00 57.03 55.97 2k2c h ASP 88 Cb 1.15 -0.04 -0.02 0.00 -0.83 0.00 0.00 39.33 39.59 2k2c h ASP 88 CO 0.24 0.96 -0.23 0.40 -1.03 0.00 0.00 179.24 179.58 2k2c h ILE 89 N 0.05 0.49 0.00 4.15 2.04 -1.96 -2.86 117.51 119.41 2k2c h ILE 89 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2k2c h ILE 89 Cb 1.55 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2k2c h ILE 89 CO 0.13 0.00 -0.48 0.00 0.00 0.00 0.00 178.15 177.80 2k2c n HIS 91 N -1.78 0.00 -3.47 0.00 8.25 -0.47 -4.62 115.22 113.12 2k2c n HIS 91 Ca 0.05 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.12 2k2c n HIS 91 Cb 0.38 -2.43 -0.10 0.00 1.12 0.00 0.00 29.99 28.96 2k2c n HIS 91 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 2k2c s LEU 92 N -2.41 4.10 -0.25 2.41 0.05 -1.05 -4.98 118.68 116.56 2k2c s LEU 92 Ca 0.00 0.08 0.01 0.00 0.05 0.00 0.00 54.13 54.26 2k2c s LEU 92 Cb 0.00 -2.28 0.07 0.00 -2.05 0.00 0.00 46.19 41.92 2k2c s LEU 92 CO 0.00 -0.15 -0.03 -0.36 -0.55 0.00 0.00 176.35 175.25 2k2c s PHE 93 N 1.93 2.40 0.14 3.48 0.08 -1.26 -2.60 117.98 122.15 2k2c s PHE 93 Ca 0.11 -1.82 -0.05 0.00 0.12 0.00 0.00 56.93 55.30 2k2c s PHE 93 Cb -0.16 -1.67 -0.02 0.00 -0.57 0.00 0.00 43.02 40.60 2k2c s PHE 93 CO 0.11 -0.79 0.16 -0.51 -0.10 0.00 0.00 175.22 174.09 2k2c s ASP 94 N 1.39 0.19 0.78 1.36 1.01 -1.04 -4.46 116.67 115.90 2k2c s ASP 94 Ca -0.03 -1.04 -0.15 0.00 0.71 0.00 0.00 52.55 52.04 2k2c s ASP 94 Cb -0.19 0.36 0.04 0.00 1.01 0.00 0.00 42.92 44.14 2k2c s ASP 94 CO -0.08 -0.80 1.02 0.29 0.21 0.00 0.00 175.17 175.81 2k2c n LYS 95 N -0.14 0.30 -2.83 8.23 5.02 -0.82 -0.59 118.16 127.33 2k2c n LYS 95 Ca -0.07 0.17 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 2k2c n LYS 95 Cb 0.63 -2.28 -0.04 0.00 -0.02 0.00 0.00 35.03 33.32 2k2c n LYS 95 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2k2c s ASP 96 N -1.87 6.47 -0.67 4.39 2.15 -1.26 -4.57 116.67 121.31 2k2c s ASP 96 Ca 0.72 0.03 -0.01 0.00 0.43 0.00 0.00 52.55 53.72 2k2c s ASP 96 Cb -0.31 -2.45 0.42 0.00 -0.30 0.00 0.00 42.92 40.29 2k2c s ASP 96 CO 0.52 -1.07 1.92 0.29 -0.17 0.00 0.00 175.17 176.65 2k2c n LYS 97 N 7.20 2.82 -1.41 4.34 4.01 -1.26 -4.83 118.16 129.03 2k2c n LYS 97 Ca 0.05 -3.48 -0.14 0.00 -0.51 0.00 0.00 58.31 54.23 2k2c n LYS 97 Cb 0.48 -2.28 -0.06 0.00 -0.51 0.00 0.00 35.03 32.66 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 -0.79 -1.30 -2.24 1.97 4.01 -1.26 -4.01 118.16 114.54 2k2c n LYS 98 Ca 0.58 0.98 -0.43 0.00 -0.51 0.00 0.00 58.31 58.93 2k2c n LYS 98 Cb 0.58 -5.22 -0.02 0.00 -0.51 0.00 0.00 35.03 29.85 2k2c n LYS 98 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 2k2c s GLN 99 N -3.14 3.49 -0.17 1.97 -2.07 -1.25 -2.81 119.66 115.69 2k2c s GLN 99 Ca 0.00 1.08 -0.10 0.00 -1.82 0.00 0.00 55.36 54.52 2k2c s GLN 99 Cb 0.00 -4.08 -0.05 0.00 -1.09 0.00 0.00 33.01 27.79 2k2c s GLN 99 CO 0.00 -1.66 0.17 1.52 -1.32 0.00 0.00 175.29 174.00 2k2c s TYR 100 N 5.90 3.47 -0.50 9.60 1.13 -1.23 -4.88 117.35 130.83 2k2c s TYR 100 Ca 0.67 0.44 -0.22 0.00 -1.41 0.00 0.00 57.07 56.55 2k2c s TYR 100 Cb -0.16 -2.15 0.04 0.00 -1.10 0.00 0.00 41.96 38.59 2k2c s TYR 100 CO 0.33 0.39 0.80 -1.58 -2.51 0.00 0.00 175.55 172.98 2k2c s HIS 101 N 0.03 2.93 -0.11 -3.49 2.46 -1.26 -3.58 115.29 112.27 2k2c s HIS 101 Ca 0.12 -0.07 -0.30 0.00 0.47 0.00 0.00 55.06 55.28 2k2c s HIS 101 Cb -0.12 -3.78 -0.01 0.00 -0.13 0.00 0.00 32.58 28.54 2k2c s HIS 101 CO 0.01 -1.14 1.01 0.00 -2.47 0.00 0.00 174.74 172.15 2k2c h GLU 103 N 7.12 0.85 -0.25 0.00 5.08 -1.95 0.62 114.58 126.05 2k2c h GLU 103 Ca -0.30 -0.36 -0.20 0.00 -1.00 0.00 0.00 59.36 57.50 2k2c h GLU 103 Cb 1.14 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2k2c h GLU 103 CO 0.86 1.00 -0.61 -0.91 -1.00 0.00 0.00 179.01 178.35 2k2c h ASN 104 N 0.73 0.96 1.84 1.42 -0.26 -1.95 -3.00 115.58 115.32 2k2c h ASN 104 Ca 0.09 -0.55 -0.01 0.00 -0.56 0.00 0.00 56.30 55.28 2k2c h ASN 104 Cb 0.79 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.77 2k2c h ASN 104 CO 0.07 1.34 -0.16 0.00 -1.06 0.00 0.00 177.43 177.62 2k2c n GLY 106 N 1.12 0.54 3.19 0.00 0.00 0.19 -4.99 105.19 105.24 2k2c n GLY 106 Ca 0.03 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.88 0.13 -0.17 -0.61 -4.36 -1.09 -4.88 121.20 108.34 2k2c s ILE 107 Ca 0.00 -1.96 -0.00 0.00 -0.26 0.00 0.00 60.65 58.43 2k2c s ILE 107 Cb 0.00 -2.28 0.04 0.00 1.25 0.00 0.00 42.46 41.47 2k2c s ILE 107 CO 0.00 -0.24 -0.08 0.00 0.24 0.00 0.00 174.94 174.86 2k2c s ARG 109 N 1.57 3.28 -0.56 0.00 1.81 -1.23 -4.91 118.95 118.90 2k2c s ARG 109 Ca 0.01 -0.80 -0.27 0.00 -1.72 0.00 0.00 55.73 52.95 2k2c s ARG 109 Cb -0.15 -2.81 0.00 0.00 -0.45 0.00 0.00 34.95 31.54 2k2c s ARG 109 CO -0.08 0.45 1.56 0.42 -0.68 0.00 0.00 175.30 176.97 2k2c s ILE 110 N -1.94 3.63 -0.27 1.52 -1.09 -1.26 -3.54 121.20 118.25 2k2c s ILE 110 Ca 0.34 0.50 -0.26 0.00 -2.23 0.00 0.00 60.65 59.00 2k2c s ILE 110 Cb -0.09 -4.26 0.12 0.00 -1.58 0.00 0.00 42.46 36.65 2k2c s ILE 110 CO 0.28 -1.08 1.02 -0.83 -1.23 0.00 0.00 174.94 173.10 2k2c s GLY 111 N 5.53 -0.18 -0.13 6.18 0.00 -1.26 -5.03 107.32 112.44 2k2c s GLY 111 Ca 0.58 2.58 -0.29 0.00 0.00 0.00 0.00 44.72 47.59 2k2c s GLY 111 CO 0.24 1.74 1.41 2.56 0.00 0.00 0.00 173.10 179.05 2k2c s PRO 112 N 0.08 4.19 0.55 2.90 0.04 -1.26 -3.80 135.00 137.70 2k2c s PRO 112 Ca 0.02 1.83 0.29 0.00 0.04 0.00 0.00 61.00 63.18 2k2c s PRO 112 Cb -0.04 -3.86 1.61 0.00 0.04 0.00 0.00 34.50 32.25 2k2c s PRO 112 CO -0.05 -0.79 2.14 1.57 0.04 0.00 0.00 177.00 179.91 2k2c h LYS 113 N 8.79 0.00 0.00 4.56 2.10 -1.87 -1.34 116.57 128.81 2k2c h LYS 113 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 2k2c h LYS 113 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2k2c h LYS 113 CO 0.97 0.08 0.00 1.05 -2.00 0.00 0.00 179.45 179.54 2k2c h GLU 114 N 0.00 0.00 0.00 0.07 9.09 -1.90 -3.32 114.58 118.52 2k2c h GLU 114 Ca -0.00 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.36 2k2c h GLU 114 Cb 0.22 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.31 2k2c h GLU 114 CO 0.01 0.00 -1.86 -3.47 0.05 0.00 0.00 179.01 173.74 2k2c n ASP 115 N -2.99 0.98 -4.92 3.06 2.03 -0.52 -5.04 116.55 109.15 2k2c n ASP 115 Ca 0.01 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.06 2k2c n ASP 115 Cb 0.34 1.66 0.06 0.00 -0.72 0.00 0.00 41.12 42.46 2k2c n ASP 115 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2k2c s PHE 116 N -3.09 3.04 -0.08 -0.67 -0.71 -1.14 -1.60 117.98 113.73 2k2c s PHE 116 Ca -0.07 0.55 -0.05 0.00 -1.04 0.00 0.00 56.93 56.33 2k2c s PHE 116 Cb 0.10 -3.06 0.04 0.00 -1.21 0.00 0.00 43.02 38.89 2k2c s PHE 116 CO 0.72 -1.23 0.20 -0.59 -1.34 0.00 0.00 175.22 172.98 2k2c s PHE 117 N -3.19 -0.24 -0.40 3.49 -0.12 -0.42 -4.86 117.98 112.24 2k2c s PHE 117 Ca 0.58 0.62 -0.24 0.00 -0.05 0.00 0.00 56.93 57.84 2k2c s PHE 117 Cb -0.11 0.00 0.02 0.00 -0.63 0.00 0.00 43.02 42.30 2k2c s PHE 117 CO 0.45 -0.18 0.83 -1.58 -0.05 0.00 0.00 175.22 174.70 2k2c s HIS 118 N 1.00 3.05 -0.28 3.49 5.65 -1.26 -1.56 115.29 125.38 2k2c s HIS 118 Ca -0.07 0.50 -0.21 0.00 0.25 0.00 0.00 55.06 55.52 2k2c s HIS 118 Cb -0.09 -3.59 -0.01 0.00 -1.18 0.00 0.00 32.58 27.71 2k2c s HIS 118 CO -0.06 -0.86 0.69 0.00 -0.65 0.00 0.00 174.74 173.86 2k2c h LEU 120 N 9.16 -0.85 -7.83 0.00 -0.00 -1.96 -3.14 115.31 110.70 2k2c h LEU 120 Ca -0.26 0.01 -0.69 0.00 -0.00 0.00 0.00 57.88 56.94 2k2c h LEU 120 Cb 1.11 0.22 -0.10 0.00 -0.00 0.00 0.00 40.66 41.89 2k2c h LEU 120 CO 0.82 -0.53 2.00 -0.75 -0.00 0.00 0.00 178.44 179.97 2k2c s LYS 121 N -5.47 4.01 0.00 1.13 2.47 -1.26 -2.24 119.74 118.39 2k2c s LYS 121 Ca -0.17 -2.14 0.00 0.00 -1.56 0.00 0.00 55.97 52.11 2k2c s LYS 121 Cb 0.02 -5.42 0.00 0.00 -1.46 0.00 0.00 37.83 30.97 2k2c s LYS 121 CO 0.55 -2.14 0.00 0.00 0.16 0.00 0.00 175.35 173.92 2k2c n ASN 123 N 0.00 -2.41 -3.58 0.00 4.13 -0.95 -5.03 115.26 107.42 2k2c n ASN 123 Ca 0.00 -0.59 -0.15 0.00 1.68 0.00 0.00 54.58 55.52 2k2c n ASN 123 Cb 0.00 -4.96 -0.06 0.00 -1.54 0.00 0.00 39.78 33.21 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 -6.29 -0.65 -0.22 3.41 2.96 -1.21 -5.07 118.68 111.62 2k2c s LEU 124 Ca 0.05 1.00 -0.22 0.00 -0.22 0.00 0.00 54.13 54.74 2k2c s LEU 124 Cb -0.02 2.39 -0.02 0.00 0.50 0.00 0.00 46.19 49.04 2k2c s LEU 124 CO 0.70 -0.40 0.70 0.00 -1.32 0.00 0.00 176.35 176.04 2k2c s LEU 126 N 2.30 3.36 0.33 0.00 1.02 -0.60 -4.98 118.68 120.12 2k2c s LEU 126 Ca 0.31 -0.76 0.03 0.00 0.02 0.00 0.00 54.13 53.73 2k2c s LEU 126 Cb -0.16 -1.91 -0.02 0.00 0.02 0.00 0.00 46.19 44.12 2k2c s LEU 126 CO 0.09 -0.51 0.50 0.00 0.02 0.00 0.00 176.35 176.46 2k2c s ALA 127 N -2.45 3.92 -0.86 4.21 0.00 -1.26 -1.30 121.76 124.01 2k2c s ALA 127 Ca 0.43 -1.18 0.16 0.00 0.00 0.00 0.00 51.96 51.38 2k2c s ALA 127 Cb -0.02 -1.89 0.69 0.00 0.00 0.00 0.00 23.12 21.90 2k2c s ALA 127 CO 0.26 -0.02 1.51 -0.12 0.00 0.00 0.00 175.76 177.39 2k2c n MET 128 N -1.70 0.05 0.09 0.00 1.56 -0.63 -0.44 117.12 116.06 2k2c n MET 128 Ca -0.04 0.31 -0.15 0.00 -0.27 0.00 0.00 57.70 57.55 2k2c n MET 128 Cb 0.57 -1.60 -0.14 0.00 2.15 0.00 0.00 33.22 34.21 2k2c n MET 128 CO 0.00 0.00 0.00 -0.97 -0.73 0.00 0.00 175.97 174.27 2k2c h ASN 129 N 0.00 0.37 0.00 6.12 -0.73 -1.95 -3.32 115.58 116.08 2k2c h ASN 129 Ca 0.00 -0.42 0.00 0.00 1.87 0.00 0.00 56.30 57.75 2k2c h ASN 129 Cb 0.27 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.74 2k2c h ASN 129 CO 0.00 1.33 0.00 0.18 -0.37 0.00 0.00 177.43 178.57 2k2c n LEU 130 N -3.50 0.00 -4.72 0.34 7.99 0.42 -4.84 117.00 112.69 2k2c n LEU 130 Ca -0.09 0.00 -0.43 0.00 -0.01 0.00 0.00 56.01 55.49 2k2c n LEU 130 Cb 1.02 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 44.31 2k2c n LEU 130 CO 0.53 0.00 1.21 0.00 -1.51 0.00 0.00 177.39 177.62 2k2c n GLN 131 N -0.65 2.55 0.00 3.23 10.64 -1.07 -2.37 117.38 129.70 2k2c n GLN 131 Ca 0.07 0.91 0.00 0.00 -1.83 0.00 0.00 57.00 56.15 2k2c n GLN 131 Cb 0.03 -2.68 0.00 0.00 -0.86 0.00 0.00 30.24 26.73 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 2.47 2.90 0.14 2.61 0.00 -1.26 -4.86 105.19 107.19 2k2c n GLY 132 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 2k2c n GLY 132 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2k2c h ARG 133 N 0.62 0.26 -6.16 1.61 9.65 -1.81 -3.40 114.38 115.15 2k2c h ARG 133 Ca 0.00 -0.02 -0.57 0.00 -1.10 0.00 0.00 59.98 58.29 2k2c h ARG 133 Cb 0.00 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.47 2k2c h ARG 133 CO 0.00 0.17 0.88 -3.38 2.80 0.00 0.00 179.97 180.45 2k2c s HIS 134 N -6.17 2.96 -0.14 2.20 -3.43 -1.26 -5.04 115.29 104.42 2k2c s HIS 134 Ca -0.13 1.11 -0.14 0.00 -0.80 0.00 0.00 55.06 55.10 2k2c s HIS 134 Cb 0.11 -3.50 -0.05 0.00 -1.43 0.00 0.00 32.58 27.71 2k2c s HIS 134 CO 0.70 -1.37 0.32 0.15 -2.00 0.00 0.00 174.74 172.54 2k2c s LYS 135 N 3.51 4.21 -0.11 -0.38 1.02 -1.26 -5.01 119.74 121.72 2k2c s LYS 135 Ca 0.52 0.16 0.05 0.00 0.02 0.00 0.00 55.97 56.72 2k2c s LYS 135 Cb -0.19 -3.40 0.32 0.00 -0.52 0.00 0.00 37.83 34.03 2k2c s LYS 135 CO 0.13 0.28 1.05 0.00 -0.92 0.00 0.00 175.35 175.90