#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy n LEU 2 N 0.00 0.00 -4.37 4.03 7.94 -1.26 -4.91 117.00 118.43 3kiy n LEU 2 Ca 0.00 0.00 -0.20 0.00 -1.11 0.00 0.00 56.01 54.70 3kiy n LEU 2 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 3kiy n LEU 2 CO 0.00 0.00 -0.46 0.00 -1.11 0.00 0.00 177.39 175.82 3kiy s MET 3 N 0.00 1.39 0.17 1.96 0.23 -1.26 -4.56 119.30 117.23 3kiy s MET 3 Ca 0.00 -1.59 -0.32 0.00 -1.03 0.00 0.00 55.69 52.75 3kiy s MET 3 Cb 0.00 -1.30 -0.11 0.00 -1.53 0.00 0.00 34.83 31.89 3kiy s MET 3 CO 0.00 0.23 1.75 -1.25 -2.03 0.00 0.00 175.02 173.72 3kiy s PRO 4 N -3.45 4.14 0.61 3.16 0.04 -1.26 -4.87 135.00 133.37 3kiy s PRO 4 Ca 0.23 2.58 0.41 0.00 0.04 0.00 0.00 61.00 64.26 3kiy s PRO 4 Cb -0.03 -3.26 2.12 0.00 0.04 0.00 0.00 34.50 33.38 3kiy s PRO 4 CO 0.08 -0.77 2.24 0.00 0.04 0.00 0.00 177.00 178.59 3kiy h ARG 5 N 7.42 0.00 -2.51 4.56 3.08 -1.99 -3.42 114.38 121.51 3kiy h ARG 5 Ca -0.44 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.53 3kiy h ARG 5 Cb 1.21 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.07 3kiy h ARG 5 CO 0.95 0.00 -0.01 1.03 -1.07 0.00 0.00 179.97 180.87 3kiy s ARG 6 N -4.00 0.91 -0.03 0.04 0.52 -1.26 -5.17 118.95 109.96 3kiy s ARG 6 Ca -0.03 0.01 -0.07 0.00 -0.52 0.00 0.00 55.73 55.11 3kiy s ARG 6 Cb 0.12 0.42 0.01 0.00 0.52 0.00 0.00 34.95 36.02 3kiy s ARG 6 CO 0.42 -0.28 0.17 -1.64 0.02 0.00 0.00 175.30 173.99 3kiy s MET 7 N -1.46 0.37 0.06 3.54 -1.94 -1.26 -5.06 119.30 113.55 3kiy s MET 7 Ca -0.11 -0.09 -0.17 0.00 -1.71 0.00 0.00 55.69 53.61 3kiy s MET 7 Cb -0.02 0.16 -0.15 0.00 2.01 0.00 0.00 34.83 36.83 3kiy s MET 7 CO 0.06 -0.08 1.29 0.87 -0.01 0.00 0.00 175.02 177.15 3kiy h LYS 8 N 4.97 0.54 -6.37 2.03 1.57 -2.02 -3.44 116.57 113.86 3kiy h LYS 8 Ca -0.28 -0.38 -0.62 0.00 -1.87 0.00 0.00 60.65 57.50 3kiy h LYS 8 Cb 1.19 0.06 -0.24 0.00 0.08 0.00 0.00 32.23 33.32 3kiy h LYS 8 CO 0.40 1.00 -0.85 0.71 -0.57 0.00 0.00 179.45 180.13 3kiy s TYR 9 N -3.93 1.99 -0.10 -1.35 1.51 -1.26 -5.07 117.35 109.14 3kiy s TYR 9 Ca -0.13 -0.39 -0.18 0.00 -1.01 0.00 0.00 57.07 55.36 3kiy s TYR 9 Cb 0.06 -1.15 -0.27 0.00 -0.11 0.00 0.00 41.96 40.49 3kiy s TYR 9 CO 0.82 0.16 0.60 -0.09 -1.11 0.00 0.00 175.55 175.93 3kiy h ARG 10 N 4.53 0.22 -6.09 -0.62 2.43 -2.03 -3.46 114.38 109.36 3kiy h ARG 10 Ca -0.45 -0.38 -0.68 0.00 -0.81 0.00 0.00 59.98 57.66 3kiy h ARG 10 Cb 1.16 0.14 -0.17 0.00 -0.42 0.00 0.00 29.97 30.69 3kiy h ARG 10 CO 0.42 1.18 -0.66 0.15 -1.51 0.00 0.00 179.97 179.55 3kiy s LYS 11 N -2.44 2.83 0.05 0.20 1.02 -1.26 -4.74 119.74 115.39 3kiy s LYS 11 Ca -0.19 -0.51 0.04 0.00 0.02 0.00 0.00 55.97 55.32 3kiy s LYS 11 Cb 0.03 -2.68 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 3kiy s LYS 11 CO 0.76 0.67 -0.11 1.14 -0.92 0.00 0.00 175.35 176.89 3kiy s GLN 12 N -0.97 0.72 1.08 1.68 -2.07 -1.26 -5.08 119.66 113.76 3kiy s GLN 12 Ca 0.14 -0.80 -0.20 0.00 -1.82 0.00 0.00 55.36 52.68 3kiy s GLN 12 Cb -0.11 -0.64 0.04 0.00 -1.09 0.00 0.00 33.01 31.21 3kiy s GLN 12 CO 0.03 0.14 -0.23 1.04 -1.32 0.00 0.00 175.29 174.96 3kiy n GLN 13 N 1.57 -1.18 0.02 9.60 6.02 -1.26 -4.88 117.38 127.26 3kiy n GLN 13 Ca -0.21 -0.33 -0.02 0.00 -0.01 0.00 0.00 57.00 56.43 3kiy n GLN 13 Cb 0.55 -1.59 -0.01 0.00 1.02 0.00 0.00 30.24 30.21 3kiy n GLN 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kiy h ARG 14 N -1.82 -0.15 -1.65 -1.09 3.08 -2.01 -3.49 114.38 107.25 3kiy h ARG 14 Ca -0.50 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3kiy h ARG 14 Cb 1.36 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.44 3kiy h ARG 14 CO 0.35 -0.09 -0.39 0.41 -1.07 0.00 0.00 179.97 179.17 3kiy n GLY 15 N 1.40 -3.87 3.90 0.04 0.00 -1.26 -5.01 105.19 100.38 3kiy n GLY 15 Ca -0.02 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 3kiy n GLY 15 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kiy s ARG 16 N -4.11 1.62 -0.31 1.61 3.52 -1.26 -5.05 118.95 114.96 3kiy s ARG 16 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 55.73 55.54 3kiy s ARG 16 Cb 0.00 -1.92 0.03 0.00 -1.56 0.00 0.00 34.95 31.50 3kiy s ARG 16 CO 0.00 -1.82 0.08 -0.51 -0.81 0.00 0.00 175.30 172.24 3kiy s LEU 17 N -5.67 4.04 0.00 -0.88 1.43 -1.26 -5.10 118.68 111.24 3kiy s LEU 17 Ca 0.65 -0.98 -0.05 0.00 -1.03 0.00 0.00 54.13 52.71 3kiy s LEU 17 Cb -0.10 -1.85 0.08 0.00 0.03 0.00 0.00 46.19 44.36 3kiy s LEU 17 CO 0.50 -0.26 0.33 0.29 0.23 0.00 0.00 176.35 177.44 3kiy n LYS 18 N 4.81 -1.23 0.00 1.70 4.01 -1.26 -5.08 118.16 121.10 3kiy n LYS 18 Ca -0.14 -0.52 0.00 0.00 -0.51 0.00 0.00 58.31 57.15 3kiy n LYS 18 Cb 0.46 -0.44 0.00 0.00 -0.51 0.00 0.00 35.03 34.54 3kiy n LYS 18 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kiy n GLY 19 N 1.08 1.40 7.00 0.72 0.00 -1.26 -4.84 105.19 109.29 3kiy n GLY 19 Ca 0.04 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3kiy n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kiy n ALA 20 N -3.00 0.00 -0.57 4.61 0.00 -1.26 -4.66 120.51 115.63 3kiy n ALA 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kiy n ALA 20 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kiy n ALA 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kiy n THR 21 N -0.05 0.00 0.00 0.00 -1.04 -1.26 -3.38 114.28 108.56 3kiy n THR 21 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3kiy n THR 21 Cb 0.00 1.54 0.00 0.00 -1.82 0.00 0.00 70.33 70.05 3kiy n THR 21 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3kiy n LYS 22 N 0.00 0.00 -4.39 -2.82 4.81 -1.26 -4.62 118.16 109.88 3kiy n LYS 22 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 3kiy n LYS 22 Cb 0.14 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.06 3kiy n LYS 22 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3kiy s GLY 23 N 0.00 1.29 0.00 3.14 0.00 -1.26 -4.84 107.32 105.65 3kiy s GLY 23 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.46 3kiy s GLY 23 CO 0.00 -1.24 0.00 0.61 0.00 0.00 0.00 173.10 172.47 3kiy n GLY 24 N 1.21 1.15 1.02 0.20 0.00 -1.26 -4.91 105.19 102.60 3kiy n GLY 24 Ca -0.19 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 45.81 3kiy n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kiy n ASP 25 N 0.32 3.09 -4.14 1.61 5.75 -1.26 -1.62 116.55 120.30 3kiy n ASP 25 Ca 0.00 -1.95 -0.19 0.00 -0.01 0.00 0.00 54.79 52.64 3kiy n ASP 25 Cb 0.10 -0.17 -0.13 0.00 -1.03 0.00 0.00 41.12 39.90 3kiy n ASP 25 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 3kiy s TYR 26 N -1.67 1.16 0.00 2.11 -0.85 -1.26 -4.86 117.35 111.97 3kiy s TYR 26 Ca 0.35 -0.39 0.00 0.00 -0.52 0.00 0.00 57.07 56.52 3kiy s TYR 26 Cb 0.22 -0.68 0.00 0.00 0.38 0.00 0.00 41.96 41.88 3kiy s TYR 26 CO 0.31 0.03 0.00 0.28 -1.52 0.00 0.00 175.55 174.65 3kiy n VAL 27 N 1.71 0.00 -2.35 -3.49 0.31 -1.26 -4.92 118.33 108.33 3kiy n VAL 27 Ca -0.19 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.08 3kiy n VAL 27 Cb 0.55 -0.60 0.01 0.00 -0.91 0.00 0.00 33.84 32.88 3kiy n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kiy n ALA 28 N -3.00 -0.23 0.00 3.52 0.00 -1.26 -4.87 120.51 114.68 3kiy n ALA 28 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3kiy n ALA 28 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3kiy n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kiy n PHE 29 N -3.69 -1.26 -2.55 0.00 3.01 -1.26 -5.17 117.46 106.53 3kiy n PHE 29 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.42 3kiy n PHE 29 Cb 0.54 0.25 0.00 0.00 -0.01 0.00 0.00 39.48 40.26 3kiy n PHE 29 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kiy n GLY 30 N -1.50 5.85 0.12 1.37 0.00 -1.26 -4.95 105.19 104.83 3kiy n GLY 30 Ca 0.00 -1.56 -0.17 0.00 0.00 0.00 0.00 46.02 44.29 3kiy n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kiy n ASP 31 N 0.00 1.59 -4.13 1.61 8.00 -1.11 -4.95 116.55 117.55 3kiy n ASP 31 Ca 0.00 -0.03 -0.21 0.00 0.71 0.00 0.00 54.79 55.26 3kiy n ASP 31 Cb 0.00 -0.21 -0.14 0.00 -0.02 0.00 0.00 41.12 40.75 3kiy n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kiy s TYR 32 N -2.52 1.27 0.11 1.24 4.12 -0.94 -4.29 117.35 116.33 3kiy s TYR 32 Ca -0.27 -0.30 0.02 0.00 0.02 0.00 0.00 57.07 56.55 3kiy s TYR 32 Cb 0.08 -0.79 -0.04 0.00 -1.52 0.00 0.00 41.96 39.69 3kiy s TYR 32 CO 0.68 0.01 -0.07 0.20 0.02 0.00 0.00 175.55 176.39 3kiy s GLY 33 N -0.76 0.83 -0.16 0.71 0.00 -0.96 -1.35 107.32 105.62 3kiy s GLY 33 Ca 0.04 -1.37 -0.02 0.00 0.00 0.00 0.00 44.72 43.37 3kiy s GLY 33 CO 0.00 -1.47 -0.08 -2.27 0.00 0.00 0.00 173.10 169.28 3kiy s LEU 34 N -3.04 2.88 0.19 0.66 2.96 0.24 0.01 118.68 122.59 3kiy s LEU 34 Ca 0.12 -0.31 0.11 0.00 -0.22 0.00 0.00 54.13 53.84 3kiy s LEU 34 Cb 0.04 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 3kiy s LEU 34 CO -0.03 0.11 -0.24 0.54 -1.32 0.00 0.00 176.35 175.41 3kiy s VAL 35 N 0.70 2.33 0.20 1.68 0.11 0.21 -0.08 120.40 125.54 3kiy s VAL 35 Ca -0.04 -2.04 -0.13 0.00 -2.93 0.00 0.00 61.98 56.84 3kiy s VAL 35 Cb -0.15 -2.11 -0.07 0.00 -1.53 0.00 0.00 36.38 32.51 3kiy s VAL 35 CO 0.02 -0.14 0.58 0.00 -3.33 0.00 0.00 175.10 172.24 3kiy s ALA 36 N -1.72 3.53 -0.18 1.54 0.00 -0.34 -2.07 121.76 122.51 3kiy s ALA 36 Ca 0.21 -0.13 0.12 0.00 0.00 0.00 0.00 51.96 52.15 3kiy s ALA 36 Cb -0.08 -2.55 -0.16 0.00 0.00 0.00 0.00 23.12 20.33 3kiy s ALA 36 CO 0.10 0.45 0.33 1.28 0.00 0.00 0.00 175.76 177.92 3kiy n LEU 37 N 0.36 0.17 -3.83 0.00 4.77 -0.37 -1.32 117.00 116.78 3kiy n LEU 37 Ca -0.02 -0.16 -0.12 0.00 -0.03 0.00 0.00 56.01 55.67 3kiy n LEU 37 Cb 0.52 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 3kiy n LEU 37 CO 0.43 0.04 -0.23 -1.83 -1.33 0.00 0.00 177.39 174.47 3kiy s GLU 38 N -2.57 0.14 0.93 3.23 -1.05 -1.26 -4.80 118.70 113.32 3kiy s GLU 38 Ca -0.02 0.15 -0.11 0.00 -0.15 0.00 0.00 54.97 54.85 3kiy s GLU 38 Cb 0.08 0.07 0.12 0.00 -0.44 0.00 0.00 34.13 33.96 3kiy s GLU 38 CO 0.48 -0.02 0.94 -0.35 0.95 0.00 0.00 175.26 177.26 3kiy n PRO 39 N 3.00 -0.47 0.00 -4.83 -0.04 -1.26 -4.61 135.00 126.79 3kiy n PRO 39 Ca -0.12 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 3kiy n PRO 39 Cb 0.59 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 3kiy n PRO 39 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kiy n ALA 40 N -4.10 0.00 -2.88 0.55 0.00 -0.87 -4.97 120.51 108.23 3kiy n ALA 40 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.20 3kiy n ALA 40 Cb 0.53 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.86 3kiy n ALA 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3kiy s TRP 41 N -2.00 3.08 -0.18 0.00 0.51 -1.26 -1.01 118.94 118.08 3kiy s TRP 41 Ca 0.00 -0.15 -0.07 0.00 -2.12 0.00 0.00 56.10 53.76 3kiy s TRP 41 Cb 0.00 -1.95 -0.04 0.00 -0.81 0.00 0.00 33.47 30.67 3kiy s TRP 41 CO 0.00 0.08 0.05 0.42 -0.51 0.00 0.00 176.95 176.99 3kiy s ILE 42 N 0.18 4.66 0.52 2.03 1.09 0.17 -4.84 121.20 125.00 3kiy s ILE 42 Ca -0.00 -0.08 -0.18 0.00 -1.10 0.00 0.00 60.65 59.29 3kiy s ILE 42 Cb -0.13 -3.10 -0.07 0.00 -1.06 0.00 0.00 42.46 38.10 3kiy s ILE 42 CO 0.02 0.46 1.02 0.42 -0.10 0.00 0.00 174.94 176.75 3kiy s THR 43 N 0.44 4.10 0.35 2.92 -4.23 -1.26 0.88 115.64 118.84 3kiy s THR 43 Ca 0.02 1.12 0.10 0.00 -1.18 0.00 0.00 61.69 61.76 3kiy s THR 43 Cb -0.13 -3.53 0.33 0.00 1.34 0.00 0.00 72.50 70.52 3kiy s THR 43 CO 0.01 -0.46 1.81 0.00 -0.54 0.00 0.00 174.62 175.44 3kiy h ALA 44 N 1.08 1.89 -0.20 3.99 0.00 -1.77 -0.03 119.26 124.22 3kiy h ALA 44 Ca -0.48 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 3kiy h ALA 44 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3kiy h ALA 44 CO 0.60 -0.21 -0.36 -0.56 0.00 0.00 0.00 179.25 178.71 3kiy h GLN 45 N 0.64 0.59 -0.34 0.00 -0.00 -1.92 0.12 115.11 114.20 3kiy h GLN 45 Ca 0.53 -0.37 0.04 0.00 -0.00 0.00 0.00 58.65 58.85 3kiy h GLN 45 Cb 0.99 0.04 -0.02 0.00 -0.00 0.00 0.00 27.48 28.49 3kiy h GLN 45 CO -0.29 0.98 0.23 1.96 -0.00 0.00 0.00 178.83 181.71 3kiy h GLN 46 N 0.26 0.27 0.01 0.06 4.20 -1.50 0.83 115.11 119.24 3kiy h GLN 46 Ca 0.01 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3kiy h GLN 46 Cb 0.95 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.67 3kiy h GLN 46 CO 0.08 0.18 -0.00 0.82 -0.67 0.00 0.00 178.83 179.24 3kiy h ILE 47 N 0.28 0.00 0.00 2.54 2.04 -0.77 -1.88 117.51 119.72 3kiy h ILE 47 Ca 0.14 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 66.00 3kiy h ILE 47 Cb 0.22 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 3kiy h ILE 47 CO -0.03 0.00 0.07 1.21 0.00 0.00 0.00 178.15 179.40 3kiy n GLU 48 N -2.05 0.10 -0.02 2.37 4.07 0.39 -0.03 120.64 125.46 3kiy n GLU 48 Ca -0.00 0.58 -0.17 0.00 -0.06 0.00 0.00 57.16 57.51 3kiy n GLU 48 Cb 0.00 -1.89 -0.14 0.00 -0.06 0.00 0.00 31.44 29.35 3kiy n GLU 48 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kiy n ALA 49 N -1.66 1.14 0.18 4.31 0.00 0.29 -2.37 120.51 122.39 3kiy n ALA 49 Ca -0.01 -0.74 0.05 0.00 0.00 0.00 0.00 53.44 52.75 3kiy n ALA 49 Cb 0.09 -0.62 0.23 0.00 0.00 0.00 0.00 19.45 19.15 3kiy n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kiy h ALA 50 N 0.34 0.87 0.05 0.00 0.00 -0.37 -2.61 119.26 117.54 3kiy h ALA 50 Ca -0.42 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 3kiy h ALA 50 Cb 2.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.75 3kiy h ALA 50 CO 0.06 0.49 -0.03 -0.09 0.00 0.00 0.00 179.25 179.68 3kiy h ARG 51 N 0.00 -0.07 -0.40 0.00 2.43 -0.56 -3.15 114.38 112.63 3kiy h ARG 51 Ca -0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3kiy h ARG 51 Cb 1.07 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.58 3kiy h ARG 51 CO 0.05 -0.05 -0.24 0.28 -1.51 0.00 0.00 179.97 178.51 3kiy n VAL 52 N -2.49 -0.27 -0.02 0.20 0.31 -1.00 0.22 118.33 115.28 3kiy n VAL 52 Ca -0.01 1.58 0.20 0.00 -0.01 0.00 0.00 64.34 66.10 3kiy n VAL 52 Cb 0.03 -2.01 0.39 0.00 -0.91 0.00 0.00 33.84 31.34 3kiy n VAL 52 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kiy h ALA 53 N -0.21 2.57 0.00 3.52 0.00 -1.59 0.16 119.26 123.71 3kiy h ALA 53 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kiy h ALA 53 Cb 0.16 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kiy h ALA 53 CO -0.37 -1.38 -0.00 1.98 0.00 0.00 0.00 179.25 179.47 3kiy h MET 54 N 0.00 -0.00 -0.51 0.00 -1.53 0.28 -2.83 114.93 110.33 3kiy h MET 54 Ca 0.32 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.55 3kiy h MET 54 Cb 2.39 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 33.41 3kiy h MET 54 CO -0.00 0.82 0.22 -0.39 0.14 0.00 0.00 176.91 177.70 3kiy h VAL 55 N -1.00 1.18 -0.13 -5.77 -1.51 -0.46 -0.34 116.25 108.23 3kiy h VAL 55 Ca -0.00 -0.55 -0.02 0.00 -1.23 0.00 0.00 66.70 64.90 3kiy h VAL 55 Cb 0.82 0.56 -0.01 0.00 -2.13 0.00 0.00 31.29 30.53 3kiy h VAL 55 CO 0.00 0.22 -0.01 0.03 -1.23 0.00 0.00 177.57 176.58 3kiy h ARG 56 N 0.73 0.18 0.03 5.19 2.47 -1.24 -2.62 114.38 119.12 3kiy h ARG 56 Ca 0.18 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.87 3kiy h ARG 56 Cb 0.12 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 3kiy h ARG 56 CO -0.02 0.21 -0.02 1.25 0.56 0.00 0.00 179.97 181.95 3kiy h HIS 57 N 0.18 -0.04 -2.01 3.04 2.76 -0.79 -3.30 115.15 114.99 3kiy h HIS 57 Ca 0.04 -0.00 -0.78 0.00 -2.20 0.00 0.00 60.37 57.43 3kiy h HIS 57 Cb 0.14 0.01 -0.21 0.00 1.55 0.00 0.00 27.41 28.91 3kiy h HIS 57 CO 0.00 -0.03 1.51 1.97 -1.30 0.00 0.00 177.93 180.09 3kiy n PHE 58 N -2.14 2.59 -1.41 5.26 1.16 -1.13 -4.99 117.46 116.81 3kiy n PHE 58 Ca -0.01 -2.68 -0.60 0.00 -1.87 0.00 0.00 57.45 52.30 3kiy n PHE 58 Cb 0.02 -1.57 -0.10 0.00 -1.61 0.00 0.00 39.48 36.22 3kiy n PHE 58 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 3kiy n ARG 59 N 1.99 0.27 -2.22 3.97 1.85 -0.99 -2.55 116.66 118.99 3kiy n ARG 59 Ca 0.40 0.08 -0.00 0.00 -1.00 0.00 0.00 57.85 57.33 3kiy n ARG 59 Cb 0.32 -1.71 0.00 0.00 -1.05 0.00 0.00 32.46 30.02 3kiy n ARG 59 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3kiy n ARG 60 N 6.84 -0.67 0.00 2.89 1.74 -1.26 -5.08 116.66 121.13 3kiy n ARG 60 Ca 0.46 1.00 0.00 0.00 -0.77 0.00 0.00 57.85 58.54 3kiy n ARG 60 Cb 0.01 -3.49 0.00 0.00 -1.02 0.00 0.00 32.46 27.97 3kiy n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kiy n GLY 61 N -1.26 5.39 0.00 -0.13 0.00 -1.05 -5.17 105.19 102.96 3kiy n GLY 61 Ca 0.01 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3kiy n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kiy n GLY 62 N 0.00 -1.85 3.44 -0.02 0.00 -1.22 -4.99 105.19 100.55 3kiy n GLY 62 Ca 0.00 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 3kiy n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kiy s LYS 63 N -0.62 3.11 -0.14 1.61 2.20 -0.98 -5.00 119.74 119.91 3kiy s LYS 63 Ca 0.00 -0.65 -0.09 0.00 -0.36 0.00 0.00 55.97 54.87 3kiy s LYS 63 Cb 0.00 -2.60 -0.05 0.00 -1.51 0.00 0.00 37.83 33.68 3kiy s LYS 63 CO 0.00 0.39 0.17 0.42 -0.36 0.00 0.00 175.35 175.97 3kiy s ILE 64 N -0.09 5.42 -0.22 5.43 1.01 -1.26 -2.87 121.20 128.62 3kiy s ILE 64 Ca -0.01 0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.88 3kiy s ILE 64 Cb -0.14 -3.47 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 3kiy s ILE 64 CO 0.03 0.53 -0.02 -0.36 0.00 0.00 0.00 174.94 175.12 3kiy s PHE 65 N -0.39 2.98 -0.48 3.97 0.08 0.19 -5.01 117.98 119.33 3kiy s PHE 65 Ca 0.13 -0.82 -0.17 0.00 0.12 0.00 0.00 56.93 56.20 3kiy s PHE 65 Cb -0.12 -2.12 0.07 0.00 -0.57 0.00 0.00 43.02 40.28 3kiy s PHE 65 CO 0.03 -0.49 0.47 0.96 -0.10 0.00 0.00 175.22 176.08 3kiy s ILE 66 N 1.45 5.11 -0.38 0.64 -4.36 -1.26 -1.94 121.20 120.46 3kiy s ILE 66 Ca 0.05 -0.86 0.25 0.00 -0.26 0.00 0.00 60.65 59.84 3kiy s ILE 66 Cb -0.14 -4.18 0.34 0.00 1.25 0.00 0.00 42.46 39.73 3kiy s ILE 66 CO -0.02 -0.65 1.71 -0.09 0.24 0.00 0.00 174.94 176.13 3kiy h ARG 67 N 8.83 0.00 -6.31 0.37 9.65 0.10 -3.46 114.38 123.57 3kiy h ARG 67 Ca -0.28 0.00 -0.60 0.00 -1.10 0.00 0.00 59.98 58.00 3kiy h ARG 67 Cb 1.11 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 29.58 3kiy h ARG 67 CO 0.90 0.00 -0.64 0.96 2.80 0.00 0.00 179.97 183.99 3kiy s ILE 68 N -3.29 3.91 -0.06 1.20 -4.36 -1.25 -4.97 121.20 112.39 3kiy s ILE 68 Ca 0.06 -1.30 -0.02 0.00 -0.26 0.00 0.00 60.65 59.13 3kiy s ILE 68 Cb 0.07 -2.96 0.04 0.00 1.25 0.00 0.00 42.46 40.85 3kiy s ILE 68 CO 0.63 -0.08 0.09 0.12 0.24 0.00 0.00 174.94 175.94 3kiy s PHE 69 N -1.68 -0.00 -0.11 1.37 5.36 -1.26 -5.09 117.98 116.57 3kiy s PHE 69 Ca 0.28 0.34 -0.29 0.00 -0.96 0.00 0.00 56.93 56.29 3kiy s PHE 69 Cb -0.10 -0.43 -0.04 0.00 -0.34 0.00 0.00 43.02 42.12 3kiy s PHE 69 CO 0.20 -0.23 1.55 -1.25 -1.46 0.00 0.00 175.22 174.03 3kiy s PRO 70 N 2.20 4.14 0.00 10.12 0.04 -1.26 -4.62 135.00 145.62 3kiy s PRO 70 Ca 0.04 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.07 3kiy s PRO 70 Cb -0.12 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.48 3kiy s PRO 70 CO -0.04 -0.88 0.05 -0.40 0.04 0.00 0.00 177.00 175.77 3kiy n ASP 71 N 7.19 0.10 -4.62 6.66 5.75 -1.20 -4.33 116.55 126.10 3kiy n ASP 71 Ca 0.17 -0.51 -0.40 0.00 -0.01 0.00 0.00 54.79 54.04 3kiy n ASP 71 Cb 0.44 0.12 -0.07 0.00 -1.03 0.00 0.00 41.12 40.58 3kiy n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3kiy s LYS 72 N -0.12 4.10 0.14 0.11 2.20 -1.04 -4.90 119.74 120.21 3kiy s LYS 72 Ca 0.00 0.43 -0.31 0.00 -0.36 0.00 0.00 55.97 55.74 3kiy s LYS 72 Cb 0.00 -3.65 -0.08 0.00 -1.51 0.00 0.00 37.83 32.60 3kiy s LYS 72 CO 0.00 -0.37 1.34 -2.14 -0.36 0.00 0.00 175.35 173.82 3kiy s PRO 73 N 2.36 4.36 -0.24 4.03 0.02 -1.26 0.01 135.00 144.28 3kiy s PRO 73 Ca 0.24 2.03 -0.10 0.00 0.02 0.00 0.00 61.00 63.18 3kiy s PRO 73 Cb -0.16 -3.24 -0.05 0.00 0.02 0.00 0.00 34.50 31.07 3kiy s PRO 73 CO 0.09 -0.35 0.16 -0.47 -0.33 0.00 0.00 177.00 176.09 3kiy s TYR 74 N 0.77 3.31 -0.10 6.54 5.04 0.67 -4.62 117.35 128.95 3kiy s TYR 74 Ca 0.61 0.21 -0.05 0.00 -2.44 0.00 0.00 57.07 55.40 3kiy s TYR 74 Cb -0.36 -2.27 -0.04 0.00 0.35 0.00 0.00 41.96 39.65 3kiy s TYR 74 CO 0.33 0.05 0.08 0.99 -1.34 0.00 0.00 175.55 175.66 3kiy s THR 75 N 1.08 4.98 -0.17 4.34 2.01 -1.26 0.15 115.64 126.77 3kiy s THR 75 Ca 0.07 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.03 3kiy s THR 75 Cb -0.14 -3.14 0.08 0.00 0.01 0.00 0.00 72.50 69.31 3kiy s THR 75 CO 0.05 0.61 0.29 -0.75 -0.69 0.00 0.00 174.62 174.12 3kiy s LYS 76 N -0.98 0.21 0.45 4.92 2.47 -0.80 -4.84 119.74 121.17 3kiy s LYS 76 Ca 0.14 0.64 -0.23 0.00 -1.56 0.00 0.00 55.97 54.96 3kiy s LYS 76 Cb -0.12 -0.30 -0.07 0.00 -1.46 0.00 0.00 37.83 35.88 3kiy s LYS 76 CO 0.03 -0.41 1.19 0.15 0.16 0.00 0.00 175.35 176.48 3kiy s LYS 77 N 2.44 3.77 1.02 4.03 1.02 -1.26 -4.01 119.74 126.75 3kiy s LYS 77 Ca 0.04 1.86 -0.22 0.00 0.02 0.00 0.00 55.97 57.67 3kiy s LYS 77 Cb -0.13 -2.47 -0.10 0.00 -0.52 0.00 0.00 37.83 34.61 3kiy s LYS 77 CO -0.11 -0.57 -0.83 -2.30 -0.92 0.00 0.00 175.35 170.63 3kiy n PRO 78 N -0.39 -0.36 -2.70 -1.68 -0.02 -1.26 -4.87 135.00 123.72 3kiy n PRO 78 Ca 0.07 -0.10 -0.38 0.00 -2.02 0.00 0.00 63.50 61.07 3kiy n PRO 78 Cb 0.47 -1.24 -0.06 0.00 -0.02 0.00 0.00 33.50 32.65 3kiy n PRO 78 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kiy s LEU 79 N 5.08 4.39 -0.65 2.45 0.20 -1.26 -4.28 118.68 124.60 3kiy s LEU 79 Ca 0.43 1.94 -0.09 0.00 0.69 0.00 0.00 54.13 57.10 3kiy s LEU 79 Cb -0.05 -3.93 0.01 0.00 -0.43 0.00 0.00 46.19 41.80 3kiy s LEU 79 CO 0.71 -0.10 0.65 -0.62 -0.29 0.00 0.00 176.35 176.69 3kiy n GLU 80 N 0.69 -1.70 -3.78 1.98 1.02 -1.26 -5.04 120.64 112.56 3kiy n GLU 80 Ca 0.01 1.46 -0.13 0.00 -0.02 0.00 0.00 57.16 58.48 3kiy n GLU 80 Cb 0.49 -4.43 -0.09 0.00 -0.02 0.00 0.00 31.44 27.39 3kiy n GLU 80 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3kiy s VAL 81 N -2.70 0.06 0.98 2.62 -7.23 -1.26 -5.17 120.40 107.69 3kiy s VAL 81 Ca 0.11 -0.52 -0.17 0.00 -1.81 0.00 0.00 61.98 59.59 3kiy s VAL 81 Cb -0.02 -0.59 0.23 0.00 0.56 0.00 0.00 36.38 36.56 3kiy s VAL 81 CO 0.81 -0.29 1.16 0.54 -0.31 0.00 0.00 175.10 177.01 3kiy n ARG 82 N 1.29 -1.75 -0.76 4.82 1.74 -1.26 -5.05 116.66 115.69 3kiy n ARG 82 Ca -0.22 -1.81 -0.16 0.00 -0.77 0.00 0.00 57.85 54.89 3kiy n ARG 82 Cb 0.56 -1.34 0.12 0.00 -1.02 0.00 0.00 32.46 30.78 3kiy n ARG 82 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3kiy n MET 83 N -3.91 -1.54 0.00 5.56 2.81 -1.26 -4.94 117.12 113.85 3kiy n MET 83 Ca 0.15 -1.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.03 3kiy n MET 83 Cb 0.54 -0.82 0.00 0.00 -0.71 0.00 0.00 33.22 32.23 3kiy n MET 83 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kiy n GLY 84 N -0.68 0.32 2.19 3.03 0.00 -1.26 -4.92 105.19 103.88 3kiy n GLY 84 Ca 0.08 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 3kiy n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kiy n LYS 85 N -0.35 -1.60 0.00 1.61 4.01 -1.26 -4.87 118.16 115.71 3kiy n LYS 85 Ca 0.00 0.34 0.00 0.00 -0.51 0.00 0.00 58.31 58.14 3kiy n LYS 85 Cb 0.00 -4.04 0.00 0.00 -0.51 0.00 0.00 35.03 30.48 3kiy n LYS 85 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kiy n GLY 86 N -1.02 -3.79 3.70 0.72 0.00 -1.26 -4.95 105.19 98.58 3kiy n GLY 86 Ca -0.05 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.52 3kiy n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kiy s LYS 87 N -0.77 4.00 1.10 1.61 2.20 -1.26 -5.08 119.74 121.54 3kiy s LYS 87 Ca 0.00 -0.27 -0.18 0.00 -0.36 0.00 0.00 55.97 55.15 3kiy s LYS 87 Cb 0.00 -3.29 0.12 0.00 -1.51 0.00 0.00 37.83 33.15 3kiy s LYS 87 CO 0.00 0.34 0.04 0.41 -0.36 0.00 0.00 175.35 175.77 3kiy n GLY 88 N 3.36 -2.58 1.16 5.54 0.00 -1.26 -5.00 105.19 106.41 3kiy n GLY 88 Ca -0.17 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 3kiy n GLY 88 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kiy n ASN 89 N -1.50 0.04 -4.73 1.61 0.23 -1.26 -4.69 115.26 104.97 3kiy n ASN 89 Ca 0.02 -1.15 -0.36 0.00 -0.53 0.00 0.00 54.58 52.56 3kiy n ASN 89 Cb 0.56 -0.30 -0.07 0.00 -2.08 0.00 0.00 39.78 37.89 3kiy n ASN 89 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3kiy s VAL 90 N -1.84 5.33 -0.14 3.53 1.01 -1.26 -1.90 120.40 125.14 3kiy s VAL 90 Ca 0.23 0.47 0.18 0.00 0.00 0.00 0.00 61.98 62.85 3kiy s VAL 90 Cb -0.01 -3.60 -0.13 0.00 0.00 0.00 0.00 36.38 32.64 3kiy s VAL 90 CO 0.16 0.40 0.80 -0.62 0.00 0.00 0.00 175.10 175.83 3kiy n GLU 91 N 3.59 0.62 -3.72 2.72 -0.58 0.40 -4.90 120.64 118.78 3kiy n GLU 91 Ca -0.13 0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 3kiy n GLU 91 Cb 0.52 -1.78 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 3kiy n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kiy n GLY 92 N 1.38 -0.54 3.20 0.62 0.00 -1.23 -4.99 105.19 103.62 3kiy n GLY 92 Ca -0.09 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.81 3kiy n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kiy s TYR 93 N -3.00 1.13 0.04 1.61 1.51 -1.26 -0.24 117.35 117.14 3kiy s TYR 93 Ca 0.00 -0.66 0.00 0.00 -1.01 0.00 0.00 57.07 55.40 3kiy s TYR 93 Cb 0.00 -0.61 -0.03 0.00 -0.11 0.00 0.00 41.96 41.21 3kiy s TYR 93 CO 0.00 0.03 -0.04 0.14 -1.11 0.00 0.00 175.55 174.57 3kiy s VAL 94 N -2.56 0.25 -0.33 0.71 -7.23 0.10 -2.15 120.40 109.18 3kiy s VAL 94 Ca 0.08 -1.27 -0.12 0.00 -1.81 0.00 0.00 61.98 58.86 3kiy s VAL 94 Cb -0.02 -0.77 -0.01 0.00 0.56 0.00 0.00 36.38 36.14 3kiy s VAL 94 CO 0.00 -0.65 0.21 0.00 -0.31 0.00 0.00 175.10 174.35 3kiy s ALA 95 N -2.30 3.40 -0.62 1.32 0.00 0.25 -2.50 121.76 121.31 3kiy s ALA 95 Ca -0.07 -1.42 -0.26 0.00 0.00 0.00 0.00 51.96 50.21 3kiy s ALA 95 Cb -0.04 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.46 3kiy s ALA 95 CO -0.04 -0.99 2.13 0.08 0.00 0.00 0.00 175.76 176.94 3kiy s VAL 96 N 1.67 3.20 -0.51 0.00 1.01 -1.26 -0.66 120.40 123.85 3kiy s VAL 96 Ca 0.05 0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.92 3kiy s VAL 96 Cb -0.17 -3.52 0.11 0.00 0.00 0.00 0.00 36.38 32.79 3kiy s VAL 96 CO 0.09 -0.50 0.46 -0.69 0.00 0.00 0.00 175.10 174.46 3kiy s VAL 97 N 10.91 5.21 0.56 2.92 1.01 -0.18 -5.00 120.40 135.83 3kiy s VAL 97 Ca 0.81 -1.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 3kiy s VAL 97 Cb -0.14 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 3kiy s VAL 97 CO 0.19 -0.76 0.96 -0.54 0.00 0.00 0.00 175.10 174.95 3kiy s LYS 98 N 1.66 3.66 -0.13 2.72 1.02 -1.26 -2.06 119.74 125.35 3kiy s LYS 98 Ca 0.04 0.66 -0.33 0.00 0.02 0.00 0.00 55.97 56.36 3kiy s LYS 98 Cb -0.27 -2.17 -0.10 0.00 -0.52 0.00 0.00 37.83 34.77 3kiy s LYS 98 CO 0.05 -0.41 1.99 -2.30 -0.92 0.00 0.00 175.35 173.76 3kiy n PRO 99 N -2.35 2.10 0.00 -1.68 -0.02 -1.22 -2.73 135.00 129.10 3kiy n PRO 99 Ca 0.05 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3kiy n PRO 99 Cb 0.54 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 3kiy n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kiy n GLY 100 N 4.94 1.76 3.77 -1.23 0.00 -0.43 -4.03 105.19 109.96 3kiy n GLY 100 Ca 0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 3kiy n GLY 100 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kiy s ARG 101 N -0.34 3.44 -0.26 1.61 6.06 -1.10 -4.55 118.95 123.81 3kiy s ARG 101 Ca 0.00 1.72 -0.13 0.00 -2.50 0.00 0.00 55.73 54.82 3kiy s ARG 101 Cb 0.00 -2.15 -0.04 0.00 0.06 0.00 0.00 34.95 32.82 3kiy s ARG 101 CO 0.00 -0.80 0.29 0.08 -2.50 0.00 0.00 175.30 172.37 3kiy s VAL 102 N -1.65 5.25 -0.23 7.11 1.01 -0.64 -1.20 120.40 130.05 3kiy s VAL 102 Ca 0.70 0.40 -0.17 0.00 0.00 0.00 0.00 61.98 62.91 3kiy s VAL 102 Cb -0.27 -3.62 -0.17 0.00 0.00 0.00 0.00 36.38 32.32 3kiy s VAL 102 CO 0.31 0.22 0.03 0.23 0.00 0.00 0.00 175.10 175.89 3kiy n MET 103 N 5.02 0.59 -5.11 2.72 0.00 0.89 -4.57 117.12 116.66 3kiy n MET 103 Ca -0.11 0.43 -0.29 0.00 0.00 0.00 0.00 57.70 57.74 3kiy n MET 103 Cb 0.51 -1.65 -0.16 0.00 0.00 0.00 0.00 33.22 31.92 3kiy n MET 103 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3kiy s PHE 104 N -2.43 2.03 -0.03 2.03 0.40 -1.16 0.78 117.98 119.59 3kiy s PHE 104 Ca -0.32 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 55.63 3kiy s PHE 104 Cb 0.09 -1.31 0.01 0.00 0.51 0.00 0.00 43.02 42.32 3kiy s PHE 104 CO 0.57 -0.05 -0.06 -1.21 0.70 0.00 0.00 175.22 175.18 3kiy s GLU 105 N -0.49 0.79 -0.01 0.44 2.02 -0.82 0.81 118.70 121.44 3kiy s GLU 105 Ca 0.08 -0.18 0.03 0.00 0.02 0.00 0.00 54.97 54.92 3kiy s GLU 105 Cb -0.09 -0.77 -0.00 0.00 0.10 0.00 0.00 34.13 33.37 3kiy s GLU 105 CO -0.01 0.01 -0.09 0.14 0.02 0.00 0.00 175.26 175.33 3kiy s VAL 106 N 0.50 0.76 0.04 2.63 -7.23 -0.46 0.57 120.40 117.22 3kiy s VAL 106 Ca -0.07 -0.40 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 3kiy s VAL 106 Cb -0.10 -0.65 -0.03 0.00 0.56 0.00 0.00 36.38 36.16 3kiy s VAL 106 CO 0.00 0.22 -0.04 0.00 -0.31 0.00 0.00 175.10 174.97 3kiy s ALA 107 N -0.12 0.37 0.00 1.32 0.00 -1.14 -2.22 121.76 119.97 3kiy s ALA 107 Ca 0.02 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3kiy s ALA 107 Cb -0.05 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.23 3kiy s ALA 107 CO -0.00 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 175.97 3kiy n GLY 108 N 1.07 1.06 3.25 0.00 0.00 -1.26 -2.32 105.19 106.99 3kiy n GLY 108 Ca -0.20 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 3kiy n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kiy s VAL 109 N -2.33 0.11 0.79 1.61 1.01 -1.26 -3.40 120.40 116.93 3kiy s VAL 109 Ca 0.00 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 3kiy s VAL 109 Cb 0.00 -1.25 0.07 0.00 0.00 0.00 0.00 36.38 35.20 3kiy s VAL 109 CO 0.00 -0.50 1.20 0.28 0.00 0.00 0.00 175.10 176.08 3kiy s THR 110 N -3.80 2.14 0.15 3.92 -1.32 -1.26 -4.84 115.64 110.63 3kiy s THR 110 Ca 0.04 0.06 -0.17 0.00 -1.21 0.00 0.00 61.69 60.41 3kiy s THR 110 Cb 0.03 -2.52 0.01 0.00 -1.51 0.00 0.00 72.50 68.51 3kiy s THR 110 CO -0.11 -0.04 1.74 -0.08 -2.21 0.00 0.00 174.62 173.91 3kiy h GLU 111 N -0.75 0.18 -0.22 7.08 4.81 -2.01 -1.41 114.58 122.26 3kiy h GLU 111 Ca -0.47 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 3kiy h GLU 111 Cb 1.29 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 3kiy h GLU 111 CO 0.47 0.12 0.02 1.49 -0.73 0.00 0.00 179.01 180.38 3kiy h GLU 112 N 0.19 0.32 0.00 1.92 4.81 -2.00 -2.17 114.58 117.66 3kiy h GLU 112 Ca 0.14 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3kiy h GLU 112 Cb 0.14 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3kiy h GLU 112 CO -0.18 0.34 0.00 1.96 -0.73 0.00 0.00 179.01 180.40 3kiy h GLN 113 N 0.32 0.00 0.00 1.92 4.20 -1.61 -2.94 115.11 117.00 3kiy h GLN 113 Ca 0.08 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.58 3kiy h GLN 113 Cb 0.19 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 3kiy h GLN 113 CO 0.00 0.00 -1.28 0.00 -0.67 0.00 0.00 178.83 176.88 3kiy n ALA 114 N -1.95 0.78 -0.37 3.87 0.00 -0.88 -2.78 120.51 119.18 3kiy n ALA 114 Ca 0.02 -0.60 0.29 0.00 0.00 0.00 0.00 53.44 53.15 3kiy n ALA 114 Cb 0.30 -0.27 0.55 0.00 0.00 0.00 0.00 19.45 20.03 3kiy n ALA 114 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3kiy h MET 115 N -1.00 0.21 0.00 0.00 2.86 -1.44 0.39 114.93 115.96 3kiy h MET 115 Ca -0.30 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.32 3kiy h MET 115 Cb 1.15 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.76 3kiy h MET 115 CO -0.18 0.14 -0.00 1.49 1.06 0.00 0.00 176.91 179.41 3kiy h GLU 116 N 0.22 0.00 -0.76 1.72 4.57 -1.69 -2.68 114.58 115.97 3kiy h GLU 116 Ca 0.75 0.00 0.17 0.00 -1.18 0.00 0.00 59.36 59.10 3kiy h GLU 116 Cb 2.02 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 30.50 3kiy h GLU 116 CO -0.51 0.47 0.18 0.00 -1.18 0.00 0.00 179.01 177.97 3kiy h ALA 117 N -0.54 0.98 -0.13 2.92 0.00 -0.87 0.36 119.26 121.98 3kiy h ALA 117 Ca -0.00 0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.87 3kiy h ALA 117 Cb 0.47 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.51 3kiy h ALA 117 CO -0.00 -0.35 -0.79 -0.07 0.00 0.00 0.00 179.25 178.03 3kiy h LEU 118 N 0.26 0.86 -2.00 0.00 3.38 -0.47 -2.96 115.31 114.38 3kiy h LEU 118 Ca 0.43 -0.57 0.19 0.00 0.09 0.00 0.00 57.88 58.02 3kiy h LEU 118 Cb 0.76 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3kiy h LEU 118 CO -0.53 1.36 0.48 -0.09 0.09 0.00 0.00 178.44 179.75 3kiy h ARG 119 N 0.48 0.00 0.14 1.13 2.43 -0.62 0.50 114.38 118.44 3kiy h ARG 119 Ca -0.05 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.82 3kiy h ARG 119 Cb 1.41 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.99 3kiy h ARG 119 CO 0.16 0.00 -1.27 0.82 -1.51 0.00 0.00 179.97 178.17 3kiy h ILE 120 N 0.00 1.31 0.00 1.20 1.08 -1.04 -3.17 117.51 116.89 3kiy h ILE 120 Ca 0.31 -2.55 0.00 0.00 -0.39 0.00 0.00 64.86 62.23 3kiy h ILE 120 Cb 1.27 2.75 0.00 0.00 -3.07 0.00 0.00 36.82 37.78 3kiy h ILE 120 CO -0.00 0.77 0.00 0.00 -0.69 0.00 0.00 178.15 178.23 3kiy h ALA 121 N 0.32 1.00 0.00 1.87 0.00 -0.86 -1.74 119.26 119.85 3kiy h ALA 121 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3kiy h ALA 121 Cb 1.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.74 3kiy h ALA 121 CO 0.24 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.27 3kiy h GLY 122 N 1.69 0.00 0.88 0.00 0.00 -1.23 -2.98 103.07 101.43 3kiy h GLY 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kiy h GLY 122 CO 0.00 0.00 -0.94 1.42 0.00 0.00 0.00 176.54 177.02 3kiy n HIS 123 N -2.55 0.58 1.18 5.60 -0.00 -0.67 -3.34 115.22 116.02 3kiy n HIS 123 Ca 0.04 0.17 0.12 0.00 -0.00 0.00 0.00 57.72 58.06 3kiy n HIS 123 Cb 0.43 -0.69 0.25 0.00 -0.00 0.00 0.00 29.99 29.98 3kiy n HIS 123 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3kiy n LYS 124 N -2.27 1.31 -3.81 -0.41 4.76 -1.14 -4.89 118.16 111.71 3kiy n LYS 124 Ca 0.01 -0.93 -0.37 0.00 -2.87 0.00 0.00 58.31 54.15 3kiy n LYS 124 Cb 0.48 -1.48 -0.06 0.00 -1.84 0.00 0.00 35.03 32.13 3kiy n LYS 124 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3kiy s LEU 125 N -2.34 4.39 0.00 -0.35 1.43 -1.14 -4.81 118.68 115.87 3kiy s LEU 125 Ca 0.25 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 3kiy s LEU 125 Cb 0.19 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 44.26 3kiy s LEU 125 CO 0.47 0.38 0.18 -0.81 0.23 0.00 0.00 176.35 176.80 3kiy n PRO 126 N 2.07 0.27 -1.10 1.29 -0.04 -1.26 -4.78 135.00 131.46 3kiy n PRO 126 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 3kiy n PRO 126 Cb 0.54 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 3kiy n PRO 126 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3kiy n ILE 127 N 0.10 0.00 -3.71 0.52 -5.35 -1.26 -5.08 119.36 104.59 3kiy n ILE 127 Ca 0.00 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.12 3kiy n ILE 127 Cb 0.05 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 37.89 3kiy n ILE 127 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3kiy s LYS 128 N -1.29 3.65 0.00 6.28 1.02 -1.26 -4.90 119.74 123.24 3kiy s LYS 128 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.05 3kiy s LYS 128 Cb 0.00 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 3kiy s LYS 128 CO 0.00 0.68 0.00 0.25 -0.92 0.00 0.00 175.35 175.36 3kiy n THR 129 N 1.47 0.00 -3.61 2.17 -2.24 -1.26 -1.23 114.28 109.57 3kiy n THR 129 Ca -0.14 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.55 3kiy n THR 129 Cb 0.53 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 3kiy n THR 129 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3kiy s LYS 130 N -1.58 0.50 0.13 -0.78 2.20 -0.88 -4.81 119.74 114.53 3kiy s LYS 130 Ca 0.00 0.32 0.06 0.00 -0.36 0.00 0.00 55.97 55.99 3kiy s LYS 130 Cb 0.00 0.24 -0.04 0.00 -1.51 0.00 0.00 37.83 36.52 3kiy s LYS 130 CO 0.00 -0.12 0.02 0.42 -0.36 0.00 0.00 175.35 175.32 3kiy s ILE 131 N -0.48 4.00 0.24 5.43 1.01 -1.26 -0.62 121.20 129.52 3kiy s ILE 131 Ca 0.01 -1.15 0.01 0.00 0.00 0.00 0.00 60.65 59.53 3kiy s ILE 131 Cb -0.03 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 3kiy s ILE 131 CO -0.03 0.01 0.15 0.68 0.00 0.00 0.00 174.94 175.74 3kiy s VAL 132 N -1.52 0.13 0.00 2.92 -7.23 0.10 -4.94 120.40 109.86 3kiy s VAL 132 Ca 0.27 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 3kiy s VAL 132 Cb -0.11 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.31 3kiy s VAL 132 CO 0.19 0.00 0.00 -1.14 -0.31 0.00 0.00 175.10 173.84 3kiy n ARG 133 N -0.39 0.00 -0.15 4.82 0.63 -1.26 -2.27 116.66 118.04 3kiy n ARG 133 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 3kiy n ARG 133 Cb 0.65 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.56 3kiy n ARG 133 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3kiy n ARG 134 N 0.00 0.00 0.00 -0.14 5.12 -1.26 -4.26 116.66 116.12 3kiy n ARG 134 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3kiy n ARG 134 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3kiy n ARG 134 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 3kiy n ASP 135 N 0.00 0.00 -0.02 0.55 5.75 -1.26 -3.99 116.55 117.58 3kiy n ASP 135 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3kiy n ASP 135 Cb 0.30 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 3kiy n ASP 135 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kiy n ALA 136 N -3.00 1.45 -2.34 2.12 0.00 -1.26 -4.48 120.51 112.99 3kiy n ALA 136 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 3kiy n ALA 136 Cb 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 3kiy n ALA 136 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3kiy s TYR 137 N -1.92 2.30 -0.42 0.00 4.12 -1.26 -4.68 117.35 115.51 3kiy s TYR 137 Ca 0.00 -0.43 0.09 0.00 0.02 0.00 0.00 57.07 56.75 3kiy s TYR 137 Cb 0.00 -4.41 0.33 0.00 -1.52 0.00 0.00 41.96 36.36 3kiy s TYR 137 CO 0.00 -1.70 0.92 -0.25 0.02 0.00 0.00 175.55 174.54 3kiy n ASP 138 N 11.13 -0.82 -1.98 2.29 8.00 -1.26 -4.83 116.55 129.07 3kiy n ASP 138 Ca 0.41 -3.35 -0.14 0.00 0.71 0.00 0.00 54.79 52.43 3kiy n ASP 138 Cb 0.48 0.68 0.23 0.00 -0.02 0.00 0.00 41.12 42.49 3kiy n ASP 138 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kiy n GLU 139 N 0.39 2.78 0.00 -1.24 4.71 -1.26 -5.24 120.64 120.78 3kiy n GLU 139 Ca 0.15 -3.06 0.00 0.00 -0.01 0.00 0.00 57.16 54.24 3kiy n GLU 139 Cb 0.67 -2.14 0.00 0.00 -1.01 0.00 0.00 31.44 28.96 3kiy n GLU 139 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22