#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 2.27 -0.88 -5.12 0.00 -1.26 -4.93 121.76 111.84 2k2c s ALA 2 Ca 0.00 -0.84 -0.25 0.00 0.00 0.00 0.00 51.96 50.87 2k2c s ALA 2 Cb 0.00 -4.31 -0.02 0.00 0.00 0.00 0.00 23.12 18.79 2k2c s ALA 2 CO 0.00 -3.81 1.81 0.00 0.00 0.00 0.00 175.76 173.77 2k2c s ALA 3 N 8.41 1.97 0.01 0.00 0.00 -1.26 -4.96 121.76 125.92 2k2c s ALA 3 Ca 0.61 -1.55 -0.30 0.00 0.00 0.00 0.00 51.96 50.72 2k2c s ALA 3 Cb -0.11 -4.51 -0.06 0.00 0.00 0.00 0.00 23.12 18.44 2k2c s ALA 3 CO 0.18 -4.42 1.40 -0.08 0.00 0.00 0.00 175.76 172.85 2k2c s THR 4 N 8.80 3.69 0.38 0.00 -1.32 -1.26 -5.01 115.64 120.91 2k2c s THR 4 Ca 0.64 1.09 -0.25 0.00 -1.21 0.00 0.00 61.69 61.95 2k2c s THR 4 Cb -0.06 -3.70 -0.09 0.00 -1.51 0.00 0.00 72.50 67.14 2k2c s THR 4 CO 0.01 0.00 1.05 0.00 -2.21 0.00 0.00 174.62 173.47 2k2c s ALA 5 N 2.30 3.13 -0.19 11.08 0.00 -1.26 -5.01 121.76 131.81 2k2c s ALA 5 Ca 0.64 0.71 -0.20 0.00 0.00 0.00 0.00 51.96 53.11 2k2c s ALA 5 Cb -0.32 -3.27 -0.21 0.00 0.00 0.00 0.00 23.12 19.32 2k2c s ALA 5 CO 0.27 -0.18 0.30 -0.09 0.00 0.00 0.00 175.76 176.05 2k2c h ARG 6 N 2.70 0.05 -4.12 0.00 9.65 -2.06 -3.50 114.38 117.10 2k2c h ARG 6 Ca -0.48 -0.09 -0.26 0.00 -1.10 0.00 0.00 59.98 58.06 2k2c h ARG 6 Cb 1.21 0.03 -0.09 0.00 -1.39 0.00 0.00 29.97 29.74 2k2c h ARG 6 CO 0.63 1.04 -0.22 -1.83 2.80 0.00 0.00 179.97 182.40 2k2c s GLU 7 N -2.39 1.83 -0.30 0.20 -1.05 -1.26 -5.17 118.70 110.57 2k2c s GLU 7 Ca -0.27 -1.71 -0.09 0.00 -0.15 0.00 0.00 54.97 52.75 2k2c s GLU 7 Cb 0.05 0.43 0.18 0.00 -0.44 0.00 0.00 34.13 34.35 2k2c s GLU 7 CO 0.63 -0.75 0.89 0.34 0.95 0.00 0.00 175.26 177.32 2k2c s ASP 8 N -3.21 -0.79 0.00 0.83 2.15 -1.26 -5.15 116.67 109.23 2k2c s ASP 8 Ca 0.30 0.58 0.00 0.00 0.43 0.00 0.00 52.55 53.86 2k2c s ASP 8 Cb 0.00 1.69 0.00 0.00 -0.30 0.00 0.00 42.92 44.32 2k2c s ASP 8 CO 0.19 -0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.65 2k2c n GLY 9 N 5.39 0.24 2.92 2.66 0.00 -1.26 -5.03 105.19 110.12 2k2c n GLY 9 Ca -0.06 -1.45 -0.17 0.00 0.00 0.00 0.00 46.02 44.35 2k2c n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2c n ALA 10 N -1.00 -0.88 -2.41 4.61 0.00 -1.26 -5.06 120.51 114.51 2k2c n ALA 10 Ca 0.00 0.27 -0.28 0.00 0.00 0.00 0.00 53.44 53.44 2k2c n ALA 10 Cb 0.00 -3.85 -0.12 0.00 0.00 0.00 0.00 19.45 15.48 2k2c n ALA 10 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2k2c s THR 11 N -3.18 2.29 0.00 0.00 -1.32 -1.26 -5.06 115.64 107.11 2k2c s THR 11 Ca 0.38 -1.90 0.00 0.00 -1.21 0.00 0.00 61.69 58.95 2k2c s THR 11 Cb -0.17 -2.05 0.00 0.00 -1.51 0.00 0.00 72.50 68.77 2k2c s THR 11 CO 0.46 -0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.45 2k2c n GLY 12 N 0.56 1.91 3.33 6.08 0.00 -1.26 -5.19 105.19 110.62 2k2c n GLY 12 Ca -0.15 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 2k2c n GLY 12 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k2c s GLU 13 N -0.28 0.95 0.13 1.61 -1.05 -1.26 -5.19 118.70 113.61 2k2c s GLU 13 Ca 0.00 -0.39 -0.05 0.00 -0.15 0.00 0.00 54.97 54.38 2k2c s GLU 13 Cb 0.00 0.43 -0.02 0.00 -0.44 0.00 0.00 34.13 34.09 2k2c s GLU 13 CO 0.00 -0.34 0.15 -1.83 0.95 0.00 0.00 175.26 174.19 2k2c s GLU 14 N -2.64 0.97 0.11 -4.83 4.04 -1.26 -5.09 118.70 110.00 2k2c s GLU 14 Ca -0.04 -1.26 0.16 0.00 0.04 0.00 0.00 54.97 53.87 2k2c s GLU 14 Cb -0.00 0.30 -0.09 0.00 0.02 0.00 0.00 34.13 34.35 2k2c s GLU 14 CO -0.04 -0.31 0.97 -0.09 -1.84 0.00 0.00 175.26 173.95 2k2c h ARG 15 N 2.76 0.00 -4.29 -4.83 9.65 -2.10 -3.49 114.38 112.08 2k2c h ARG 15 Ca -0.34 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.54 2k2c h ARG 15 Cb 1.20 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 2k2c h ARG 15 CO 0.55 0.34 -0.19 0.41 2.80 0.00 0.00 179.97 183.89 2k2c n GLY 16 N 1.35 -0.97 3.83 2.80 0.00 -1.26 -5.04 105.19 105.91 2k2c n GLY 16 Ca -0.07 0.50 -0.35 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.26 4.10 0.04 1.61 0.74 -1.26 -5.10 119.66 117.53 2k2c s GLN 17 Ca 0.09 0.68 0.03 0.00 0.05 0.00 0.00 55.36 56.22 2k2c s GLN 17 Cb -0.03 -2.83 -0.02 0.00 1.10 0.00 0.00 33.01 31.23 2k2c s GLN 17 CO 0.43 0.39 -0.09 -0.98 -0.55 0.00 0.00 175.29 174.49 2k2c s ARG 18 N -2.14 0.58 0.00 1.67 3.03 -1.26 -5.01 118.95 115.82 2k2c s ARG 18 Ca 0.43 -0.77 0.00 0.00 2.03 0.00 0.00 55.73 57.42 2k2c s ARG 18 Cb -0.15 -0.41 0.00 0.00 -1.03 0.00 0.00 34.95 33.37 2k2c s ARG 18 CO 0.20 0.08 0.00 0.41 -1.13 0.00 0.00 175.30 174.86 2k2c n GLY 19 N 1.51 -0.11 3.52 3.88 0.00 -0.99 -4.90 105.19 108.09 2k2c n GLY 19 Ca -0.22 -1.86 -0.15 0.00 0.00 0.00 0.00 46.02 43.79 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 4.45 0.00 -0.01 0.00 4.11 -2.01 -1.24 114.58 119.89 2k2c h GLU 21 Ca -0.28 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.14 2k2c h GLU 21 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2k2c h GLU 21 CO 0.20 0.00 -0.05 0.45 0.07 0.00 0.00 179.01 179.68 2k2c h HIS 22 N 0.00 0.06 -3.29 2.06 3.86 -2.00 -3.43 115.15 112.41 2k2c h HIS 22 Ca 0.10 -0.03 -0.51 0.00 -1.16 0.00 0.00 60.37 58.78 2k2c h HIS 22 Cb 0.90 -0.01 -0.39 0.00 1.06 0.00 0.00 27.41 28.97 2k2c h HIS 22 CO 0.00 0.75 -0.77 0.71 0.86 0.00 0.00 177.93 179.48 2k2c s TYR 23 N -3.37 1.14 -0.93 2.45 1.51 -0.47 -5.03 117.35 112.65 2k2c s TYR 23 Ca -0.17 -0.76 -0.19 0.00 -1.01 0.00 0.00 57.07 54.94 2k2c s TYR 23 Cb 0.00 -1.06 0.12 0.00 -0.11 0.00 0.00 41.96 40.92 2k2c s TYR 23 CO 0.69 -0.54 1.15 -0.51 -1.11 0.00 0.00 175.55 175.23 2k2c s ASP 24 N 1.82 6.60 0.04 2.29 1.01 -1.20 -2.87 116.67 124.36 2k2c s ASP 24 Ca 0.01 -1.95 -0.07 0.00 0.71 0.00 0.00 52.55 51.26 2k2c s ASP 24 Cb -0.15 -2.42 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 2k2c s ASP 24 CO -0.07 -1.12 0.12 0.00 0.21 0.00 0.00 175.17 174.31 2k2c s ARG 25 N 2.96 0.63 -0.34 8.23 1.70 -1.26 -3.71 118.95 127.16 2k2c s ARG 25 Ca 0.34 -0.74 -0.02 0.00 -0.47 0.00 0.00 55.73 54.83 2k2c s ARG 25 Cb -0.05 0.25 0.15 0.00 -0.57 0.00 0.00 34.95 34.73 2k2c s ARG 25 CO -0.09 -0.17 2.30 0.41 -1.08 0.00 0.00 175.30 176.67 2k2c n GLY 26 N 0.69 4.11 3.48 3.88 0.00 -1.21 -2.35 105.19 113.78 2k2c n GLY 26 Ca -0.19 -1.31 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 2k2c n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2c n LEU 28 N -0.31 0.00 -4.03 0.00 4.77 -0.57 -4.46 117.00 112.40 2k2c n LEU 28 Ca -0.07 -2.73 -0.30 0.00 -0.03 0.00 0.00 56.01 52.88 2k2c n LEU 28 Cb 0.62 0.62 -0.17 0.00 -2.33 0.00 0.00 43.42 42.17 2k2c n LEU 28 CO 0.21 -0.41 -0.49 -0.76 -1.33 0.00 0.00 177.39 174.61 2k2c s LEU 29 N 0.00 1.69 -0.51 2.23 1.43 0.20 -2.82 118.68 120.90 2k2c s LEU 29 Ca 0.10 -0.47 -0.25 0.00 -1.03 0.00 0.00 54.13 52.48 2k2c s LEU 29 Cb 0.00 -1.15 0.03 0.00 0.03 0.00 0.00 46.19 45.11 2k2c s LEU 29 CO 0.07 -0.03 0.93 -0.75 0.23 0.00 0.00 176.35 176.79 2k2c s LYS 30 N 1.33 3.42 -0.55 1.70 2.20 -0.63 -2.04 119.74 125.16 2k2c s LYS 30 Ca 0.01 -0.07 -0.24 0.00 -0.36 0.00 0.00 55.97 55.31 2k2c s LYS 30 Cb -0.13 -3.99 0.04 0.00 -1.51 0.00 0.00 37.83 32.24 2k2c s LYS 30 CO -0.08 -1.36 0.93 0.00 -0.36 0.00 0.00 175.35 174.49 2k2c s ALA 31 N 3.84 3.16 -0.52 3.13 0.00 -0.36 -4.22 121.76 126.80 2k2c s ALA 31 Ca 0.33 -1.28 0.20 0.00 0.00 0.00 0.00 51.96 51.22 2k2c s ALA 31 Cb -0.11 -3.73 0.92 0.00 0.00 0.00 0.00 23.12 20.19 2k2c s ALA 31 CO 0.22 -2.39 1.62 -0.35 0.00 0.00 0.00 175.76 174.87 2k2c n PRO 32 N 7.44 0.14 0.29 0.00 -0.04 -1.26 0.62 135.00 142.19 2k2c n PRO 32 Ca 0.01 0.46 0.17 0.00 -0.04 0.00 0.00 63.50 64.09 2k2c n PRO 32 Cb 0.47 -1.82 0.86 0.00 -0.04 0.00 0.00 33.50 32.97 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 -4.62 -4.93 0.00 9.92 0.20 -4.98 116.55 112.14 2k2c n ASP 35 Ca 0.00 0.13 -0.29 0.00 -0.53 0.00 0.00 54.79 54.10 2k2c n ASP 35 Cb 0.44 -3.91 -0.04 0.00 -0.64 0.00 0.00 41.12 36.98 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 -4.92 3.44 -0.35 -1.24 1.02 -1.15 -4.76 119.74 111.78 2k2c s LYS 36 Ca 0.00 -0.49 -0.04 0.00 0.02 0.00 0.00 55.97 55.46 2k2c s LYS 36 Cb 0.00 -3.01 0.07 0.00 -0.52 0.00 0.00 37.83 34.36 2k2c s LYS 36 CO 0.00 0.58 0.11 -0.51 -0.92 0.00 0.00 175.35 174.61 2k2c s LEU 37 N -2.75 4.50 -0.01 3.17 2.01 -1.26 -1.22 118.68 123.12 2k2c s LEU 37 Ca 0.35 -1.45 0.01 0.00 0.01 0.00 0.00 54.13 53.05 2k2c s LEU 37 Cb -0.12 -1.82 0.01 0.00 0.01 0.00 0.00 46.19 44.27 2k2c s LEU 37 CO 0.28 -0.38 -0.02 -0.31 1.01 0.00 0.00 176.35 176.93 2k2c s TYR 38 N 1.29 0.32 0.40 0.29 1.51 -0.87 -4.86 117.35 115.44 2k2c s TYR 38 Ca 0.00 -0.05 0.08 0.00 -1.01 0.00 0.00 57.07 56.10 2k2c s TYR 38 Cb -0.21 -0.28 0.86 0.00 -0.11 0.00 0.00 41.96 42.23 2k2c s TYR 38 CO -0.00 -0.05 2.02 1.15 -1.11 0.00 0.00 175.55 177.56 2k2c h THR 39 N 5.46 1.05 -2.66 -0.71 2.02 -1.86 0.60 112.91 116.81 2k2c h THR 39 Ca -0.32 -0.20 -0.60 0.00 0.77 0.00 0.00 66.41 66.06 2k2c h THR 39 Cb 1.18 0.42 -0.12 0.00 -1.74 0.00 0.00 68.15 67.89 2k2c h THR 39 CO 0.50 0.11 -0.70 0.00 0.37 0.00 0.00 175.52 175.79 2k2c h ARG 41 N 2.50 0.37 0.00 0.00 0.11 -1.89 -3.19 114.38 112.28 2k2c h ARG 41 Ca -0.45 -0.51 -0.20 0.00 0.10 0.00 0.00 59.98 58.91 2k2c h ARG 41 Cb 1.22 0.17 -0.03 0.00 1.11 0.00 0.00 29.97 32.45 2k2c h ARG 41 CO 0.57 1.20 -0.96 1.37 0.10 0.00 0.00 179.97 182.24 2k2c h LEU 42 N 0.16 0.00 -1.02 0.08 -0.00 -1.96 -2.33 115.31 110.24 2k2c h LEU 42 Ca -0.12 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.66 2k2c h LEU 42 Cb 1.82 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.46 2k2c h LEU 42 CO 0.19 0.96 -0.48 0.00 -0.00 0.00 0.00 178.44 179.12 2k2c h HIS 44 N 0.00 -0.34 -0.00 0.00 -0.00 -1.53 -3.27 115.15 110.01 2k2c h HIS 44 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2k2c h HIS 44 Cb 0.87 0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 28.40 2k2c h HIS 44 CO 0.00 -0.07 0.00 0.22 -0.00 0.00 0.00 177.93 178.09 2k2c h ASP 45 N -0.58 0.00 -0.83 3.26 3.58 -1.12 -2.41 116.42 118.32 2k2c h ASP 45 Ca -0.04 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 2k2c h ASP 45 Cb 0.42 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.43 2k2c h ASP 45 CO 0.06 0.00 0.50 -1.13 -2.88 0.00 0.00 179.24 175.79 2k2c h ASN 46 N 0.00 0.99 0.43 2.28 -1.24 -1.03 -3.21 115.58 113.80 2k2c h ASN 46 Ca 0.00 -0.07 -0.24 0.00 0.71 0.00 0.00 56.30 56.71 2k2c h ASN 46 Cb 0.01 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 38.77 2k2c h ASN 46 CO -0.00 0.77 -1.76 0.59 -1.29 0.00 0.00 177.43 175.74 2k2c n ASN 47 N -4.45 0.61 -4.78 1.15 3.02 -0.95 -5.00 115.26 104.87 2k2c n ASN 47 Ca 0.08 0.28 -0.22 0.00 -0.03 0.00 0.00 54.58 54.69 2k2c n ASN 47 Cb 0.06 0.41 -0.05 0.00 -0.61 0.00 0.00 39.78 39.59 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 -2.77 2.62 0.00 3.52 2.02 -0.96 -5.03 118.70 118.09 2k2c s GLU 48 Ca -0.05 -1.32 0.14 0.00 0.02 0.00 0.00 54.97 53.76 2k2c s GLU 48 Cb 0.08 -2.37 0.49 0.00 0.10 0.00 0.00 34.13 32.43 2k2c s GLU 48 CO 0.83 0.22 1.37 -0.25 0.02 0.00 0.00 175.26 177.44 2k2c n ASP 49 N -1.20 1.59 -4.03 -0.19 9.92 -1.26 -4.78 116.55 116.61 2k2c n ASP 49 Ca -0.04 -1.87 -0.08 0.00 -0.53 0.00 0.00 54.79 52.27 2k2c n ASP 49 Cb 0.60 -0.16 -0.09 0.00 -0.64 0.00 0.00 41.12 40.82 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 -1.67 0.42 0.21 1.24 -3.43 -1.26 -5.17 115.29 105.62 2k2c s HIS 50 Ca 0.25 -0.93 -0.15 0.00 -0.80 0.00 0.00 55.06 53.44 2k2c s HIS 50 Cb 0.13 -0.30 -0.08 0.00 -1.43 0.00 0.00 32.58 30.91 2k2c s HIS 50 CO 0.19 -0.41 0.62 -0.65 -2.00 0.00 0.00 174.74 172.49 2k2c s GLN 51 N -3.80 4.02 -0.72 -0.38 -0.21 -1.26 -4.39 119.66 112.91 2k2c s GLN 51 Ca 0.06 0.57 -0.26 0.00 0.02 0.00 0.00 55.36 55.75 2k2c s GLN 51 Cb 0.07 -2.78 0.04 0.00 1.00 0.00 0.00 33.01 31.34 2k2c s GLN 51 CO -0.10 0.37 1.20 -1.17 -2.12 0.00 0.00 175.29 173.47 2k2c s LEU 52 N -2.29 3.47 -0.35 2.90 0.20 -1.26 -4.99 118.68 116.36 2k2c s LEU 52 Ca 0.44 -0.58 -0.28 0.00 0.69 0.00 0.00 54.13 54.39 2k2c s LEU 52 Cb -0.14 -2.53 -0.02 0.00 -0.43 0.00 0.00 46.19 43.07 2k2c s LEU 52 CO 0.20 -1.74 1.79 -1.81 -0.29 0.00 0.00 176.35 174.50 2k2c s ASP 53 N 3.72 5.86 0.41 3.68 1.11 -1.26 -4.87 116.67 125.32 2k2c s ASP 53 Ca 0.32 1.23 0.29 0.00 0.18 0.00 0.00 52.55 54.57 2k2c s ASP 53 Cb -0.10 -2.53 1.38 0.00 1.07 0.00 0.00 42.92 42.74 2k2c s ASP 53 CO 0.14 -1.74 1.87 0.08 1.18 0.00 0.00 175.17 176.70 2k2c h ARG 54 N 12.96 0.00 0.00 8.23 0.11 -1.94 -1.62 114.38 132.11 2k2c h ARG 54 Ca -0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.75 2k2c h ARG 54 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 2k2c h ARG 54 CO 1.04 0.00 -0.15 0.74 0.10 0.00 0.00 179.97 181.70 2k2c h PHE 55 N 0.00 0.00 0.00 4.08 0.04 -1.87 -3.34 116.94 115.85 2k2c h PHE 55 Ca 0.00 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 2k2c h PHE 55 Cb 0.22 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 2k2c h PHE 55 CO 0.00 0.00 -1.24 1.63 -0.60 0.00 0.00 178.31 178.10 2k2c n LYS 56 N -2.63 0.61 -1.96 1.51 4.76 -0.61 -4.86 118.16 114.98 2k2c n LYS 56 Ca 0.04 0.18 -0.43 0.00 -2.87 0.00 0.00 58.31 55.23 2k2c n LYS 56 Cb 0.48 -1.82 -0.03 0.00 -1.84 0.00 0.00 35.03 31.83 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 -3.12 3.43 -0.08 -0.18 -7.23 -1.24 -4.66 120.40 107.31 2k2c s VAL 57 Ca -0.02 0.42 -0.12 0.00 -1.81 0.00 0.00 61.98 60.45 2k2c s VAL 57 Cb 0.09 -3.60 -0.29 0.00 0.56 0.00 0.00 36.38 33.14 2k2c s VAL 57 CO 0.80 -0.40 0.58 0.50 -0.31 0.00 0.00 175.10 176.27 2k2c h LYS 58 N 13.26 0.32 -5.92 4.82 1.63 -1.89 -3.47 116.57 125.31 2k2c h LYS 58 Ca -0.34 -0.54 -0.56 0.00 -0.85 0.00 0.00 60.65 58.36 2k2c h LYS 58 Cb 1.18 0.20 -0.08 0.00 -0.60 0.00 0.00 32.23 32.93 2k2c h LYS 58 CO 1.04 1.26 -0.46 -1.21 -3.45 0.00 0.00 179.45 176.62 2k2c s GLU 59 N -2.53 2.27 0.37 1.90 2.02 -1.26 -2.15 118.70 119.31 2k2c s GLU 59 Ca -0.19 -1.83 -0.03 0.00 0.02 0.00 0.00 54.97 52.95 2k2c s GLU 59 Cb 0.05 -2.04 0.01 0.00 0.10 0.00 0.00 34.13 32.26 2k2c s GLU 59 CO 0.81 -0.17 0.53 0.14 0.02 0.00 0.00 175.26 176.58 2k2c s VAL 60 N -2.60 0.00 0.26 2.63 -7.23 0.16 -1.61 120.40 112.01 2k2c s VAL 60 Ca 0.41 -1.53 0.01 0.00 -1.81 0.00 0.00 61.98 59.06 2k2c s VAL 60 Cb 0.02 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 2k2c s VAL 60 CO 0.23 0.00 0.14 -1.10 -0.31 0.00 0.00 175.10 174.05 2k2c s GLN 61 N -2.80 1.42 -0.21 4.82 -0.21 -1.13 -2.78 119.66 118.77 2k2c s GLN 61 Ca 0.29 -1.78 0.01 0.00 0.02 0.00 0.00 55.36 53.90 2k2c s GLN 61 Cb -0.01 -0.01 0.03 0.00 1.00 0.00 0.00 33.01 34.02 2k2c s GLN 61 CO 0.21 -0.39 -0.15 0.00 -2.12 0.00 0.00 175.29 172.84 2k2c n ILE 63 N 4.59 4.49 0.06 0.00 5.41 0.28 -1.22 119.36 132.97 2k2c n ILE 63 Ca -0.18 -3.23 0.00 0.00 1.00 0.00 0.00 62.75 60.34 2k2c n ILE 63 Cb 0.48 -2.24 0.00 0.00 -0.71 0.00 0.00 39.64 37.16 2k2c n ILE 63 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2k2c n ASN 64 N 2.47 -1.09 -3.27 4.38 5.15 -1.26 -4.69 115.26 116.94 2k2c n ASN 64 Ca 0.66 0.30 -0.25 0.00 -0.60 0.00 0.00 54.58 54.69 2k2c n ASN 64 Cb 0.33 1.28 -0.08 0.00 -0.53 0.00 0.00 39.78 40.78 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 2.11 0.00 -3.62 0.00 1.02 -0.36 -4.49 120.64 115.30 2k2c n GLU 66 Ca 0.25 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 57.01 2k2c n GLU 66 Cb 0.51 -0.48 -0.11 0.00 -0.02 0.00 0.00 31.44 31.34 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 2.45 3.69 -0.61 3.49 2.47 -1.26 -4.83 119.74 125.14 2k2c s LYS 67 Ca 0.05 -0.48 -0.26 0.00 -1.56 0.00 0.00 55.97 53.71 2k2c s LYS 67 Cb -0.03 -3.60 0.04 0.00 -1.46 0.00 0.00 37.83 32.77 2k2c s LYS 67 CO 0.02 -0.27 1.11 0.42 0.16 0.00 0.00 175.35 176.79 2k2c s ILE 68 N 1.70 4.10 0.29 5.43 -1.09 -1.26 -3.52 121.20 126.84 2k2c s ILE 68 Ca 0.06 0.49 0.02 0.00 -2.23 0.00 0.00 60.65 59.00 2k2c s ILE 68 Cb -0.16 -4.71 -0.05 0.00 -1.58 0.00 0.00 42.46 35.96 2k2c s ILE 68 CO 0.09 -1.39 0.09 0.00 -1.23 0.00 0.00 174.94 172.50 2k2c s GLN 69 N 4.72 1.51 0.49 2.79 -2.07 -1.12 -5.00 119.66 120.99 2k2c s GLN 69 Ca 0.35 -1.83 -0.09 0.00 -1.82 0.00 0.00 55.36 51.97 2k2c s GLN 69 Cb -0.10 -0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 31.31 2k2c s GLN 69 CO 0.20 -0.27 0.85 -1.01 -1.32 0.00 0.00 175.29 173.74 2k2c s HIS 70 N -3.59 3.54 -0.48 9.60 3.76 -1.26 -0.66 115.29 126.20 2k2c s HIS 70 Ca 0.37 1.06 -0.29 0.00 -0.15 0.00 0.00 55.06 56.04 2k2c s HIS 70 Cb 0.08 -2.49 -0.10 0.00 1.11 0.00 0.00 32.58 31.19 2k2c s HIS 70 CO 0.14 -0.33 2.37 0.00 -0.85 0.00 0.00 174.74 176.08 2k2c n ALA 71 N -2.00 0.97 -2.23 -1.40 0.00 -0.92 -4.72 120.51 110.22 2k2c n ALA 71 Ca 0.03 -0.53 -0.11 0.00 0.00 0.00 0.00 53.44 52.83 2k2c n ALA 71 Cb 0.54 -2.89 -0.10 0.00 0.00 0.00 0.00 19.45 17.01 2k2c n ALA 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2k2c s GLN 72 N 7.58 0.85 0.28 0.00 0.74 -1.26 -5.07 119.66 122.77 2k2c s GLN 72 Ca 1.06 -1.31 0.14 0.00 0.05 0.00 0.00 55.36 55.31 2k2c s GLN 72 Cb -0.50 -0.27 0.22 0.00 1.10 0.00 0.00 33.01 33.55 2k2c s GLN 72 CO 0.36 0.00 1.51 0.37 -0.55 0.00 0.00 175.29 176.98 2k2c h GLN 73 N 3.05 0.00 -5.09 1.67 4.15 -1.94 -3.44 115.11 113.51 2k2c h GLN 73 Ca -0.36 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 58.71 2k2c h GLN 73 Cb 1.17 0.00 -0.19 0.00 0.21 0.00 0.00 27.48 28.67 2k2c h GLN 73 CO 0.63 0.57 -0.75 0.95 -1.93 0.00 0.00 178.83 178.30 2k2c s THR 74 N -3.15 1.01 -0.64 2.39 -4.23 -1.26 -1.10 115.64 108.66 2k2c s THR 74 Ca 0.02 -1.52 -0.26 0.00 -1.18 0.00 0.00 61.69 58.75 2k2c s THR 74 Cb 0.09 -1.25 0.04 0.00 1.34 0.00 0.00 72.50 72.72 2k2c s THR 74 CO 0.74 -0.44 1.14 0.00 -0.54 0.00 0.00 174.62 175.53 2k2c h GLU 76 N 9.66 0.00 -0.45 0.00 9.09 -1.96 0.87 114.58 131.80 2k2c h GLU 76 Ca -0.27 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.01 2k2c h GLU 76 Cb 1.06 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.15 2k2c h GLU 76 CO 1.20 0.00 -0.24 1.49 0.05 0.00 0.00 179.01 181.51 2k2c h GLU 77 N 0.00 0.93 0.00 1.06 4.57 -1.98 -3.40 114.58 115.76 2k2c h GLU 77 Ca 0.31 -0.40 -0.03 0.00 -1.18 0.00 0.00 59.36 58.05 2k2c h GLU 77 Cb 1.58 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 30.09 2k2c h GLU 77 CO -0.00 1.06 -0.27 0.00 -1.18 0.00 0.00 179.01 178.62 2k2c n SER 79 N 0.04 -3.76 -4.69 0.00 3.41 0.29 -4.94 113.62 103.97 2k2c n SER 79 Ca -0.03 0.21 -0.42 0.00 -0.26 0.00 0.00 58.87 58.37 2k2c n SER 79 Cb 0.64 -3.22 -0.03 0.00 -0.26 0.00 0.00 64.21 61.34 2k2c n SER 79 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2k2c s THR 80 N -2.56 2.91 -0.18 6.66 2.01 -1.24 -4.60 115.64 118.64 2k2c s THR 80 Ca 0.00 0.35 -0.29 0.00 0.31 0.00 0.00 61.69 62.06 2k2c s THR 80 Cb 0.00 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.28 2k2c s THR 80 CO 0.00 -0.00 1.03 -0.22 -0.69 0.00 0.00 174.62 174.74 2k2c s LEU 81 N 2.79 4.16 0.34 4.42 2.96 -1.26 -1.33 118.68 130.75 2k2c s LEU 81 Ca 0.76 1.45 0.26 0.00 -0.22 0.00 0.00 54.13 56.38 2k2c s LEU 81 Cb -0.41 -3.55 0.74 0.00 0.50 0.00 0.00 46.19 43.47 2k2c s LEU 81 CO 0.34 -0.59 1.74 -0.26 -1.32 0.00 0.00 176.35 176.26 2k2c h PHE 82 N 7.33 0.00 0.00 5.38 -1.00 -1.40 -3.20 116.94 124.05 2k2c h PHE 82 Ca -0.24 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.54 2k2c h PHE 82 Cb 1.09 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.65 2k2c h PHE 82 CO 0.74 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.85 2k2c n GLY 83 N 0.91 3.31 0.32 -1.45 0.00 -1.26 -3.39 105.19 103.63 2k2c n GLY 83 Ca 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 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 0.88 -4.99 1.61 5.08 -1.71 -3.38 114.58 112.07 2k2c h GLU 84 Ca 0.00 -0.12 -0.63 0.00 -1.00 0.00 0.00 59.36 57.60 2k2c h GLU 84 Cb 0.00 -0.16 -0.17 0.00 0.50 0.00 0.00 28.75 28.92 2k2c h GLU 84 CO 0.00 0.70 -0.53 -0.47 -1.00 0.00 0.00 179.01 177.71 2k2c s TYR 85 N -5.47 3.23 0.00 4.33 5.04 -0.16 -4.82 117.35 119.51 2k2c s TYR 85 Ca -0.10 0.08 0.01 0.00 -2.44 0.00 0.00 57.07 54.62 2k2c s TYR 85 Cb 0.16 -2.31 -0.04 0.00 0.35 0.00 0.00 41.96 40.13 2k2c s TYR 85 CO 0.79 -0.10 0.03 -0.47 -1.34 0.00 0.00 175.55 174.46 2k2c s TYR 86 N 1.43 3.14 -0.30 4.97 5.04 -1.26 -2.56 117.35 127.81 2k2c s TYR 86 Ca 0.07 0.11 -0.03 0.00 -2.44 0.00 0.00 57.07 54.78 2k2c s TYR 86 Cb -0.15 -1.68 0.18 0.00 0.35 0.00 0.00 41.96 40.66 2k2c s TYR 86 CO 0.07 0.49 0.64 0.00 -1.34 0.00 0.00 175.55 175.41 2k2c h ASP 88 N 7.99 0.55 -0.63 0.00 2.03 -1.94 -0.59 116.42 123.83 2k2c h ASP 88 Ca -0.22 -0.61 -0.07 0.00 -0.73 0.00 0.00 57.03 55.41 2k2c h ASP 88 Cb 1.15 -0.18 -0.03 0.00 -0.83 0.00 0.00 39.33 39.44 2k2c h ASP 88 CO 0.21 1.48 0.13 0.40 -1.03 0.00 0.00 179.24 180.43 2k2c h ILE 89 N 0.10 1.26 0.00 4.15 2.04 -1.97 -2.32 117.51 120.75 2k2c h ILE 89 Ca -0.19 -0.97 -0.06 0.00 1.00 0.00 0.00 64.86 64.65 2k2c h ILE 89 Cb 2.04 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 2k2c h ILE 89 CO 0.22 0.36 -0.95 0.00 0.00 0.00 0.00 178.15 177.79 2k2c n HIS 91 N -2.84 0.00 -3.09 0.00 8.25 -0.24 -4.72 115.22 112.58 2k2c n HIS 91 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 2k2c n HIS 91 Cb 0.65 -1.91 -0.06 0.00 1.12 0.00 0.00 29.99 29.79 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 -0.58 4.27 -0.19 2.41 0.05 -1.18 -4.99 118.68 118.47 2k2c s LEU 92 Ca 0.00 0.10 -0.03 0.00 0.05 0.00 0.00 54.13 54.26 2k2c s LEU 92 Cb 0.00 -2.81 -0.01 0.00 -2.05 0.00 0.00 46.19 41.32 2k2c s LEU 92 CO 0.00 -0.64 -0.08 -0.36 -0.55 0.00 0.00 176.35 174.72 2k2c s PHE 93 N 2.79 2.91 0.15 3.48 0.08 -1.26 -3.64 117.98 122.50 2k2c s PHE 93 Ca 0.25 -0.83 -0.23 0.00 0.12 0.00 0.00 56.93 56.25 2k2c s PHE 93 Cb -0.14 -2.01 0.07 0.00 -0.57 0.00 0.00 43.02 40.37 2k2c s PHE 93 CO 0.16 -0.42 0.58 0.34 -0.10 0.00 0.00 175.22 175.78 2k2c s ASP 94 N 1.04 -0.54 0.88 1.36 2.15 -1.06 -4.71 116.67 115.79 2k2c s ASP 94 Ca 0.00 -0.01 -0.12 0.00 0.43 0.00 0.00 52.55 52.85 2k2c s ASP 94 Cb -0.15 0.59 0.09 0.00 -0.30 0.00 0.00 42.92 43.15 2k2c s ASP 94 CO -0.01 -0.95 0.92 0.29 -0.17 0.00 0.00 175.17 175.25 2k2c n LYS 95 N -0.34 -0.18 -2.85 4.34 5.02 -1.24 -0.99 118.16 121.92 2k2c n LYS 95 Ca -0.17 0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.70 2k2c n LYS 95 Cb 0.65 -2.22 -0.04 0.00 -0.02 0.00 0.00 35.03 33.40 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 -2.24 6.50 -0.74 4.39 2.15 -1.26 -4.54 116.67 120.92 2k2c s ASP 96 Ca 0.66 0.11 0.01 0.00 0.43 0.00 0.00 52.55 53.76 2k2c s ASP 96 Cb -0.25 -2.44 0.36 0.00 -0.30 0.00 0.00 42.92 40.29 2k2c s ASP 96 CO 0.58 -1.00 1.57 0.29 -0.17 0.00 0.00 175.17 176.44 2k2c n LYS 97 N 7.04 3.64 -1.29 4.34 4.01 -1.26 -4.80 118.16 129.84 2k2c n LYS 97 Ca 0.05 -4.27 -0.10 0.00 -0.51 0.00 0.00 58.31 53.49 2k2c n LYS 97 Cb 0.48 -2.31 -0.04 0.00 -0.51 0.00 0.00 35.03 32.65 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 -0.36 -1.36 -2.21 1.97 4.76 -1.26 -4.00 118.16 115.70 2k2c n LYS 98 Ca 0.45 0.81 -0.32 0.00 -2.87 0.00 0.00 58.31 56.37 2k2c n LYS 98 Cb 0.37 -5.02 -0.01 0.00 -1.84 0.00 0.00 35.03 28.53 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 -2.68 3.61 -0.01 1.97 -2.07 -1.24 -2.23 119.66 117.01 2k2c s GLN 99 Ca 0.00 1.10 -0.01 0.00 -1.82 0.00 0.00 55.36 54.63 2k2c s GLN 99 Cb 0.00 -2.08 -0.00 0.00 -1.09 0.00 0.00 33.01 29.84 2k2c s GLN 99 CO 0.00 -0.57 0.03 1.52 -1.32 0.00 0.00 175.29 174.95 2k2c s TYR 100 N -2.51 0.02 -0.34 9.60 1.13 -1.26 -4.89 117.35 119.11 2k2c s TYR 100 Ca 0.62 -0.03 -0.16 0.00 -1.41 0.00 0.00 57.07 56.08 2k2c s TYR 100 Cb -0.13 -0.03 -0.01 0.00 -1.10 0.00 0.00 41.96 40.69 2k2c s TYR 100 CO 0.34 -0.07 0.41 -1.58 -2.51 0.00 0.00 175.55 172.14 2k2c s HIS 101 N -0.33 3.21 -0.29 -3.49 2.46 -1.26 -3.57 115.29 112.02 2k2c s HIS 101 Ca -0.04 0.09 -0.13 0.00 0.47 0.00 0.00 55.06 55.45 2k2c s HIS 101 Cb -0.02 -2.73 -0.04 0.00 -0.13 0.00 0.00 32.58 29.65 2k2c s HIS 101 CO -0.00 -0.44 0.27 0.00 -2.47 0.00 0.00 174.74 172.10 2k2c h GLU 103 N 8.32 0.00 -0.28 0.00 5.08 -1.92 0.15 114.58 125.93 2k2c h GLU 103 Ca -0.33 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.87 2k2c h GLU 103 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2k2c h GLU 103 CO 0.60 0.41 -0.47 -0.91 -1.00 0.00 0.00 179.01 177.64 2k2c h ASN 104 N 0.00 0.80 1.27 1.42 4.21 -1.94 -2.77 115.58 118.56 2k2c h ASN 104 Ca -0.00 -0.39 -0.15 0.00 1.21 0.00 0.00 56.30 56.96 2k2c h ASN 104 Cb 0.93 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.88 2k2c h ASN 104 CO 0.05 1.14 -0.74 0.00 -1.29 0.00 0.00 177.43 176.59 2k2c n GLY 106 N 1.28 0.75 3.23 0.00 0.00 0.50 -5.02 105.19 105.92 2k2c n GLY 106 Ca 0.01 0.00 -0.14 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 -2.62 0.03 -0.08 -0.61 -4.36 -0.94 -4.94 121.20 107.68 2k2c s ILE 107 Ca 0.00 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.41 2k2c s ILE 107 Cb 0.00 -2.50 0.01 0.00 1.25 0.00 0.00 42.46 41.22 2k2c s ILE 107 CO 0.00 0.00 -0.14 0.00 0.24 0.00 0.00 174.94 175.04 2k2c s ARG 109 N 0.79 0.42 -0.15 0.00 3.00 -1.23 -4.98 118.95 116.79 2k2c s ARG 109 Ca -0.12 -0.72 -0.29 0.00 -1.00 0.00 0.00 55.73 53.60 2k2c s ARG 109 Cb -0.16 -0.02 -0.07 0.00 0.00 0.00 0.00 34.95 34.71 2k2c s ARG 109 CO 0.02 -0.02 2.14 -0.89 0.00 0.00 0.00 175.30 176.55 2k2c n ILE 110 N 1.40 0.46 -3.65 4.11 2.08 -1.26 -4.05 119.36 118.45 2k2c n ILE 110 Ca -0.23 -0.35 -0.01 0.00 0.56 0.00 0.00 62.75 62.72 2k2c n ILE 110 Cb 0.55 -2.43 -0.07 0.00 -0.75 0.00 0.00 39.64 36.95 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 7.07 0.44 -0.20 7.39 0.00 -1.26 -5.02 107.32 115.75 2k2c s GLY 111 Ca 0.98 3.61 -0.29 0.00 0.00 0.00 0.00 44.72 49.02 2k2c s GLY 111 CO 0.38 2.32 1.64 2.56 0.00 0.00 0.00 173.10 180.00 2k2c s PRO 112 N 0.52 3.82 0.54 2.90 0.04 -1.26 -3.70 135.00 137.87 2k2c s PRO 112 Ca -0.00 1.74 0.20 0.00 0.04 0.00 0.00 61.00 62.98 2k2c s PRO 112 Cb -0.04 -4.04 1.40 0.00 0.04 0.00 0.00 34.50 31.86 2k2c s PRO 112 CO -0.13 -1.27 2.15 1.57 0.04 0.00 0.00 177.00 179.36 2k2c h LYS 113 N 10.72 0.00 -0.49 4.56 2.10 -1.76 -0.04 116.57 131.67 2k2c h LYS 113 Ca -0.35 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.19 2k2c h LYS 113 Cb 1.16 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.47 2k2c h LYS 113 CO 0.99 0.00 -0.14 1.05 -2.00 0.00 0.00 179.45 179.36 2k2c h GLU 114 N 0.00 0.93 -0.07 0.07 9.09 -1.89 -3.15 114.58 119.55 2k2c h GLU 114 Ca 0.03 -0.34 0.00 0.00 0.05 0.00 0.00 59.36 59.10 2k2c h GLU 114 Cb 0.14 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.18 2k2c h GLU 114 CO -0.00 1.00 0.00 -3.47 0.05 0.00 0.00 179.01 176.59 2k2c n ASP 115 N -4.14 2.29 -4.36 3.06 2.03 -0.19 -4.88 116.55 110.36 2k2c n ASP 115 Ca 0.01 -1.76 -0.32 0.00 0.52 0.00 0.00 54.79 53.23 2k2c n ASP 115 Cb 0.40 -0.04 -0.15 0.00 -0.72 0.00 0.00 41.12 40.62 2k2c n ASP 115 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2k2c s PHE 116 N -1.93 2.65 0.11 -0.67 0.08 -0.27 -1.30 117.98 116.65 2k2c s PHE 116 Ca 0.34 -0.54 0.05 0.00 0.12 0.00 0.00 56.93 56.90 2k2c s PHE 116 Cb 0.20 -1.70 -0.04 0.00 -0.57 0.00 0.00 43.02 40.92 2k2c s PHE 116 CO 0.31 -0.10 -0.13 -0.59 -0.10 0.00 0.00 175.22 174.61 2k2c s PHE 117 N -0.14 1.32 0.08 0.36 -0.71 -0.69 -4.81 117.98 113.41 2k2c s PHE 117 Ca -0.02 -0.57 -0.18 0.00 -1.04 0.00 0.00 56.93 55.11 2k2c s PHE 117 Cb -0.14 -0.70 -0.07 0.00 -1.21 0.00 0.00 43.02 40.91 2k2c s PHE 117 CO 0.04 0.11 0.56 -1.58 -1.34 0.00 0.00 175.22 173.01 2k2c s HIS 118 N -2.15 3.77 -0.08 3.49 5.65 -1.26 -1.43 115.29 123.28 2k2c s HIS 118 Ca 0.08 1.24 -0.00 0.00 0.25 0.00 0.00 55.06 56.62 2k2c s HIS 118 Cb -0.05 -2.47 -0.03 0.00 -1.18 0.00 0.00 32.58 28.85 2k2c s HIS 118 CO 0.02 0.56 -0.05 0.00 -0.65 0.00 0.00 174.74 174.63 2k2c h LEU 120 N 5.34 -0.65-10.00 0.00 4.07 -1.99 -3.40 115.31 108.68 2k2c h LEU 120 Ca -0.48 -0.03 -0.53 0.00 0.08 0.00 0.00 57.88 56.92 2k2c h LEU 120 Cb 1.18 0.17 -0.03 0.00 1.08 0.00 0.00 40.66 43.06 2k2c h LEU 120 CO 0.54 -0.37 -0.11 -0.75 -1.08 0.00 0.00 178.44 176.67 2k2c s LYS 121 N -5.42 3.78 -0.09 1.13 2.20 -1.26 -4.63 119.74 115.44 2k2c s LYS 121 Ca -0.16 0.24 -0.01 0.00 -0.36 0.00 0.00 55.97 55.69 2k2c s LYS 121 Cb 0.03 -2.64 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 2k2c s LYS 121 CO 0.56 0.29 0.02 0.00 -0.36 0.00 0.00 175.35 175.87 2k2c n ASN 123 N 0.12 0.00 -4.94 0.00 4.13 -1.26 -4.08 115.26 109.22 2k2c n ASN 123 Ca 0.00 0.17 -0.24 0.00 1.68 0.00 0.00 54.58 56.19 2k2c n ASN 123 Cb 0.02 -0.31 0.01 0.00 -1.54 0.00 0.00 39.78 37.96 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 -2.61 3.67 -0.10 3.41 2.96 -1.26 -4.16 118.68 120.58 2k2c s LEU 124 Ca 0.10 0.41 -0.19 0.00 -0.22 0.00 0.00 54.13 54.22 2k2c s LEU 124 Cb 0.07 -3.29 -0.04 0.00 0.50 0.00 0.00 46.19 43.43 2k2c s LEU 124 CO 0.17 -0.66 0.53 0.00 -1.32 0.00 0.00 176.35 175.07 2k2c s LEU 126 N 0.61 3.39 0.52 0.00 2.01 -0.51 -4.90 118.68 119.80 2k2c s LEU 126 Ca 0.29 -0.51 -0.06 0.00 0.01 0.00 0.00 54.13 53.86 2k2c s LEU 126 Cb -0.16 -1.92 -0.02 0.00 0.01 0.00 0.00 46.19 44.10 2k2c s LEU 126 CO 0.12 -0.01 0.83 0.00 1.01 0.00 0.00 176.35 178.31 2k2c s ALA 127 N -2.23 3.36 -0.21 4.21 0.00 -1.26 -1.70 121.76 123.93 2k2c s ALA 127 Ca 0.32 -0.55 0.28 0.00 0.00 0.00 0.00 51.96 52.01 2k2c s ALA 127 Cb -0.07 -2.61 1.20 0.00 0.00 0.00 0.00 23.12 21.63 2k2c s ALA 127 CO 0.21 -0.50 1.83 0.52 0.00 0.00 0.00 175.76 177.82 2k2c h MET 128 N 0.08 0.00 0.00 0.00 2.86 -1.57 0.24 114.93 116.54 2k2c h MET 128 Ca -0.46 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.05 2k2c h MET 128 Cb 1.22 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 2k2c h MET 128 CO 0.61 0.00 -0.59 -0.97 1.06 0.00 0.00 176.91 177.02 2k2c h ASN 129 N 0.00 0.00 -0.00 1.22 -1.24 -1.94 -3.34 115.58 110.28 2k2c h ASN 129 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2k2c h ASN 129 Cb 0.37 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.42 2k2c h ASN 129 CO 0.00 0.59 -0.77 -0.11 -1.29 0.00 0.00 177.43 175.85 2k2c n LEU 130 N -3.51 1.00 -4.75 0.34 7.94 -0.46 -4.98 117.00 112.58 2k2c n LEU 130 Ca 0.00 -0.54 -0.41 0.00 -1.11 0.00 0.00 56.01 53.94 2k2c n LEU 130 Cb 0.67 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.60 2k2c n LEU 130 CO 0.41 0.23 1.21 0.00 -1.11 0.00 0.00 177.39 178.13 2k2c s GLN 131 N -2.60 4.14 0.00 1.96 -2.07 -0.05 -1.91 119.66 119.13 2k2c s GLN 131 Ca 0.08 2.53 0.00 0.00 -1.82 0.00 0.00 55.36 56.15 2k2c s GLN 131 Cb 0.14 -3.03 0.00 0.00 -1.09 0.00 0.00 33.01 29.03 2k2c s GLN 131 CO 0.69 -0.58 0.00 0.41 -1.32 0.00 0.00 175.29 174.49 2k2c n GLY 132 N 1.91 2.75 0.15 2.60 0.00 -1.26 -4.82 105.19 106.53 2k2c n GLY 132 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 0.05 0.00 -5.95 1.61 3.08 -1.76 -3.43 114.38 107.98 2k2c h ARG 133 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 2k2c h ARG 133 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 2k2c h ARG 133 CO 0.00 0.00 0.26 -3.38 -1.07 0.00 0.00 179.97 175.78 2k2c s HIS 134 N -3.19 3.47 -0.48 3.04 -3.43 -1.25 -5.02 115.29 108.43 2k2c s HIS 134 Ca 0.08 1.22 -0.28 0.00 -0.80 0.00 0.00 55.06 55.29 2k2c s HIS 134 Cb 0.10 -2.93 -0.01 0.00 -1.43 0.00 0.00 32.58 28.31 2k2c s HIS 134 CO 0.59 -0.13 1.72 0.21 -2.00 0.00 0.00 174.74 175.14 2k2c s LYS 135 N 1.69 3.08 -0.32 -0.38 2.20 -1.26 -4.88 119.74 119.86 2k2c s LYS 135 Ca 0.37 0.90 0.03 0.00 -0.36 0.00 0.00 55.97 56.92 2k2c s LYS 135 Cb -0.17 -4.24 0.50 0.00 -1.51 0.00 0.00 37.83 32.41 2k2c s LYS 135 CO 0.14 -2.18 1.66 0.00 -0.36 0.00 0.00 175.35 174.61