#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy n LYS 3 N 0.00 0.00 -4.44 0.54 0.00 -1.26 -5.12 118.16 107.89 3kiy n LYS 3 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 58.09 3kiy n LYS 3 Cb 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 35.03 34.53 3kiy n LYS 3 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 3kiy s HIS 4 N -1.08 1.76 0.56 5.64 3.76 -1.26 -5.18 115.29 119.50 3kiy s HIS 4 Ca 0.00 -1.23 0.03 0.00 -0.15 0.00 0.00 55.06 53.71 3kiy s HIS 4 Cb 0.00 -1.08 0.11 0.00 1.11 0.00 0.00 32.58 32.71 3kiy s HIS 4 CO 0.00 -0.30 0.78 0.41 -0.85 0.00 0.00 174.74 174.78 3kiy n GLY 5 N -0.74 1.19 0.15 -2.22 0.00 -1.26 -4.92 105.19 97.39 3kiy n GLY 5 Ca -0.03 -2.10 -0.21 0.00 0.00 0.00 0.00 46.02 43.69 3kiy n GLY 5 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kiy h LYS 6 N 0.00 0.51 0.00 1.61 3.64 -2.02 0.50 116.57 120.80 3kiy h LYS 6 Ca -0.26 -0.70 0.00 0.00 -1.27 0.00 0.00 60.65 58.42 3kiy h LYS 6 Cb 1.04 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3kiy h LYS 6 CO 0.31 1.30 0.30 -0.09 -2.27 0.00 0.00 179.45 179.01 3kiy h ARG 7 N 0.05 0.00 0.00 1.90 2.43 -1.96 0.16 114.38 116.96 3kiy h ARG 7 Ca -0.16 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.64 3kiy h ARG 7 Cb 1.76 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 31.25 3kiy h ARG 7 CO 0.20 0.00 -2.33 0.98 -1.51 0.00 0.00 179.97 177.31 3kiy n TYR 8 N -2.54 0.00 -0.46 2.20 9.36 -1.13 -4.42 117.16 120.17 3kiy n TYR 8 Ca -0.02 0.00 0.37 0.00 3.32 0.00 0.00 57.90 61.58 3kiy n TYR 8 Cb 0.34 -0.88 0.67 0.00 -0.63 0.00 0.00 39.34 38.85 3kiy n TYR 8 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 3kiy h ARG 9 N -0.38 0.10 0.02 2.98 2.43 0.29 0.36 114.38 120.18 3kiy h ARG 9 Ca -0.56 -0.01 -0.27 0.00 -0.81 0.00 0.00 59.98 58.33 3kiy h ARG 9 Cb 1.68 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 31.17 3kiy h ARG 9 CO -0.21 0.07 -1.49 0.00 -1.51 0.00 0.00 179.97 176.83 3kiy h ALA 10 N 1.47 0.57 0.00 2.80 0.00 -1.72 -3.27 119.26 119.12 3kiy h ALA 10 Ca 0.77 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3kiy h ALA 10 Cb 2.59 0.28 0.00 0.00 0.00 0.00 0.00 17.79 20.66 3kiy h ALA 10 CO -0.28 1.42 0.00 1.28 0.00 0.00 0.00 179.25 181.68 3kiy n LEU 11 N -3.20 0.14 -0.17 0.00 4.77 0.12 -0.49 117.00 118.17 3kiy n LEU 11 Ca -0.12 0.55 0.14 0.00 -0.03 0.00 0.00 56.01 56.55 3kiy n LEU 11 Cb 1.02 -0.55 0.60 0.00 -2.33 0.00 0.00 43.42 42.16 3kiy n LEU 11 CO 0.46 -0.46 0.86 0.18 -1.33 0.00 0.00 177.39 177.10 3kiy n LEU 12 N -1.67 0.64 -0.01 2.23 4.77 -1.04 -3.35 117.00 118.58 3kiy n LEU 12 Ca 0.01 -0.10 0.08 0.00 -0.03 0.00 0.00 56.01 55.98 3kiy n LEU 12 Cb 0.10 -0.13 -0.12 0.00 -2.33 0.00 0.00 43.42 40.93 3kiy n LEU 12 CO 0.09 0.12 -0.47 -0.62 -1.33 0.00 0.00 177.39 175.17 3kiy n GLU 13 N -0.77 0.87 -1.24 3.23 -0.58 0.35 -4.41 120.64 118.10 3kiy n GLU 13 Ca 0.16 -0.10 -0.25 0.00 -0.42 0.00 0.00 57.16 56.55 3kiy n GLU 13 Cb 0.28 -1.36 0.17 0.00 -0.57 0.00 0.00 31.44 29.96 3kiy n GLU 13 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3kiy n LYS 14 N -1.85 2.29 -3.56 3.49 5.02 -1.21 -4.91 118.16 117.43 3kiy n LYS 14 Ca -0.01 -3.04 -0.15 0.00 -2.02 0.00 0.00 58.31 53.09 3kiy n LYS 14 Cb 0.38 -2.19 -0.06 0.00 -0.02 0.00 0.00 35.03 33.15 3kiy n LYS 14 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3kiy s VAL 15 N -3.45 0.02 -0.31 -0.18 -7.23 -1.26 -5.05 120.40 102.95 3kiy s VAL 15 Ca 0.58 -0.16 -0.15 0.00 -1.81 0.00 0.00 61.98 60.43 3kiy s VAL 15 Cb 0.48 -0.95 -0.03 0.00 0.56 0.00 0.00 36.38 36.45 3kiy s VAL 15 CO 0.10 -0.09 0.37 -0.62 -0.31 0.00 0.00 175.10 174.54 3kiy s ASP 16 N -1.69 6.21 0.64 4.85 2.15 -1.26 -4.95 116.67 122.61 3kiy s ASP 16 Ca -0.08 0.04 0.24 0.00 0.43 0.00 0.00 52.55 53.18 3kiy s ASP 16 Cb -0.01 -2.20 1.23 0.00 -0.30 0.00 0.00 42.92 41.64 3kiy s ASP 16 CO 0.02 -0.26 1.69 1.55 -0.17 0.00 0.00 175.17 178.01 3kiy h PRO 17 N 8.33 0.00 -1.87 4.34 0.13 -1.98 -3.26 132.00 137.69 3kiy h PRO 17 Ca -0.31 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.45 3kiy h PRO 17 Cb 1.15 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.99 3kiy h PRO 17 CO 0.67 0.00 -0.71 0.54 -0.23 0.00 0.00 178.00 178.26 3kiy s ASN 18 N -4.30 0.75 -0.28 1.44 4.22 -1.26 -5.09 114.94 110.41 3kiy s ASN 18 Ca -0.03 -1.91 -0.24 0.00 -2.14 0.00 0.00 52.86 48.53 3kiy s ASN 18 Cb 0.10 0.59 0.13 0.00 1.28 0.00 0.00 41.25 43.34 3kiy s ASN 18 CO 0.32 -0.20 1.05 -0.75 -2.04 0.00 0.00 177.10 175.48 3kiy s LYS 19 N 1.05 0.47 0.14 3.55 2.20 -1.23 -5.15 119.74 120.76 3kiy s LYS 19 Ca 0.22 0.57 -0.24 0.00 -0.36 0.00 0.00 55.97 56.16 3kiy s LYS 19 Cb -0.09 0.22 -0.07 0.00 -1.51 0.00 0.00 37.83 36.38 3kiy s LYS 19 CO -0.06 -0.06 0.74 0.08 -0.36 0.00 0.00 175.35 175.69 3kiy s VAL 20 N 0.28 4.47 0.30 4.02 1.01 -1.26 -4.42 120.40 124.80 3kiy s VAL 20 Ca 0.03 1.61 0.10 0.00 0.00 0.00 0.00 61.98 63.72 3kiy s VAL 20 Cb -0.05 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 3kiy s VAL 20 CO -0.07 0.51 -0.05 -0.31 0.00 0.00 0.00 175.10 175.18 3kiy s TYR 21 N -1.02 2.53 0.63 5.22 1.51 0.69 -4.93 117.35 121.98 3kiy s TYR 21 Ca 0.35 -0.34 0.03 0.00 -1.01 0.00 0.00 57.07 56.10 3kiy s TYR 21 Cb -0.22 -1.26 0.09 0.00 -0.11 0.00 0.00 41.96 40.46 3kiy s TYR 21 CO 0.25 0.59 0.87 0.95 -1.11 0.00 0.00 175.55 177.09 3kiy s THR 22 N -2.45 2.32 -2.00 -0.71 -4.23 -1.26 -1.03 115.64 106.28 3kiy s THR 22 Ca 0.32 -0.74 0.15 0.00 -1.18 0.00 0.00 61.69 60.25 3kiy s THR 22 Cb -0.03 -2.59 0.44 0.00 1.34 0.00 0.00 72.50 71.66 3kiy s THR 22 CO 0.18 0.00 1.51 -0.38 -0.54 0.00 0.00 174.62 175.40 3kiy n ILE 23 N -2.51 0.00 -0.05 2.99 5.41 -1.25 -2.36 119.36 121.59 3kiy n ILE 23 Ca 0.13 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.83 3kiy n ILE 23 Cb 0.60 -0.32 -0.02 0.00 -0.71 0.00 0.00 39.64 39.20 3kiy n ILE 23 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3kiy n ASP 24 N -0.77 1.28 0.00 4.38 8.00 -1.26 -3.79 116.55 124.39 3kiy n ASP 24 Ca 0.12 0.21 0.01 0.00 0.71 0.00 0.00 54.79 55.84 3kiy n ASP 24 Cb 0.05 -0.61 0.06 0.00 -0.02 0.00 0.00 41.12 40.60 3kiy n ASP 24 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3kiy n GLU 25 N -3.78 0.01 0.00 -1.24 0.28 -1.24 -2.01 120.64 112.66 3kiy n GLU 25 Ca -0.08 0.41 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 3kiy n GLU 25 Cb 0.31 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.68 3kiy n GLU 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kiy n ALA 26 N -1.45 0.00 0.00 -1.84 0.00 -0.99 -2.60 120.51 113.63 3kiy n ALA 26 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3kiy n ALA 26 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 3kiy n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kiy n ALA 27 N -2.18 0.94 -0.09 0.00 0.00 -1.18 -0.19 120.51 117.81 3kiy n ALA 27 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 3kiy n ALA 27 Cb 0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 19.45 18.51 3kiy n ALA 27 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kiy n ARG 28 N -1.26 0.68 0.10 0.00 0.63 -0.85 -4.22 116.66 111.74 3kiy n ARG 28 Ca 0.00 0.17 0.13 0.00 -0.92 0.00 0.00 57.85 57.23 3kiy n ARG 28 Cb 0.06 -1.57 0.35 0.00 0.45 0.00 0.00 32.46 31.76 3kiy n ARG 28 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3kiy n LEU 29 N -3.27 0.82 0.28 6.15 0.00 0.73 -3.45 117.00 118.27 3kiy n LEU 29 Ca -0.41 0.51 0.17 0.00 0.00 0.00 0.00 56.01 56.28 3kiy n LEU 29 Cb 1.02 -0.29 0.72 0.00 0.00 0.00 0.00 43.42 44.87 3kiy n LEU 29 CO 0.31 -0.16 1.00 0.58 0.00 0.00 0.00 177.39 179.12 3kiy h VAL 30 N 0.00 0.07 0.11 1.96 2.07 -1.11 -3.11 116.25 116.24 3kiy h VAL 30 Ca 0.00 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3kiy h VAL 30 Cb 0.75 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3kiy h VAL 30 CO 0.00 0.02 -0.05 0.11 0.02 0.00 0.00 177.57 177.67 3kiy h LYS 31 N 0.00 -0.15 0.00 1.57 1.79 -1.79 -3.01 116.57 114.98 3kiy h LYS 31 Ca -0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3kiy h LYS 31 Cb 0.48 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 3kiy h LYS 31 CO 0.00 0.28 0.00 1.05 -1.08 0.00 0.00 179.45 179.70 3kiy h GLU 32 N -0.63 0.00 -0.01 3.15 4.11 -1.78 -2.96 114.58 116.47 3kiy h GLU 32 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 3kiy h GLU 32 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3kiy h GLU 32 CO 0.03 0.00 -0.29 1.28 0.07 0.00 0.00 179.01 180.10 3kiy n LEU 33 N -3.03 0.94 -3.32 3.06 4.77 -1.18 -4.19 117.00 114.06 3kiy n LEU 33 Ca 0.03 -0.22 -0.38 0.00 -0.03 0.00 0.00 56.01 55.41 3kiy n LEU 33 Cb 0.43 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.39 3kiy n LEU 33 CO 0.31 0.18 1.20 0.00 -1.33 0.00 0.00 177.39 177.74 3kiy n ALA 34 N -0.78 5.90 -1.33 -1.18 0.00 -1.12 -3.83 120.51 118.19 3kiy n ALA 34 Ca 0.11 -4.51 -0.22 0.00 0.00 0.00 0.00 53.44 48.83 3kiy n ALA 34 Cb 0.34 -1.83 -0.09 0.00 0.00 0.00 0.00 19.45 17.87 3kiy n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kiy n THR 35 N -0.21 3.21 -3.89 0.00 -2.24 -1.26 -4.81 114.28 105.08 3kiy n THR 35 Ca 0.46 -2.51 -0.25 0.00 -2.27 0.00 0.00 64.05 59.48 3kiy n THR 35 Cb 0.30 -1.72 -0.03 0.00 -2.10 0.00 0.00 70.33 66.78 3kiy n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kiy s ALA 36 N -0.85 3.93 -0.88 6.98 0.00 -1.26 -4.98 121.76 124.70 3kiy s ALA 36 Ca 0.61 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.53 3kiy s ALA 36 Cb 0.36 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.67 3kiy s ALA 36 CO -0.15 0.42 0.39 1.63 0.00 0.00 0.00 175.76 178.05 3kiy n LYS 37 N -0.84 0.70 -1.23 0.00 5.02 -1.26 -4.75 118.16 115.80 3kiy n LYS 37 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 3kiy n LYS 37 Cb 0.55 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 3kiy n LYS 37 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 3kiy n PHE 38 N 0.21 -0.41 -2.84 2.13 -1.74 -1.26 -5.10 117.46 108.45 3kiy n PHE 38 Ca 0.00 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.46 3kiy n PHE 38 Cb 0.20 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.16 3kiy n PHE 38 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 3kiy s ASP 39 N -0.55 6.22 0.77 5.98 -1.08 -1.26 -4.95 116.67 121.80 3kiy s ASP 39 Ca 0.00 -1.08 -0.15 0.00 -0.52 0.00 0.00 52.55 50.80 3kiy s ASP 39 Cb 0.00 -2.43 0.05 0.00 -1.46 0.00 0.00 42.92 39.08 3kiy s ASP 39 CO 0.00 -1.43 1.07 -0.62 0.52 0.00 0.00 175.17 174.71 3kiy n GLU 40 N 7.70 0.33 -3.84 4.34 -0.58 -1.26 -4.66 120.64 122.67 3kiy n GLU 40 Ca -0.00 0.18 -0.34 0.00 -0.42 0.00 0.00 57.16 56.57 3kiy n GLU 40 Cb 0.46 -2.32 -0.12 0.00 -0.57 0.00 0.00 31.44 28.88 3kiy n GLU 40 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3kiy s THR 41 N -1.98 3.03 0.12 2.62 2.01 -1.26 0.21 115.64 120.39 3kiy s THR 41 Ca 0.73 -2.29 -0.32 0.00 0.31 0.00 0.00 61.69 60.12 3kiy s THR 41 Cb -0.31 -3.10 -0.12 0.00 0.01 0.00 0.00 72.50 68.98 3kiy s THR 41 CO 0.51 -0.69 1.79 0.52 -0.69 0.00 0.00 174.62 176.06 3kiy n VAL 42 N 4.31 0.29 -4.65 3.82 0.31 -1.25 -2.24 118.33 118.92 3kiy n VAL 42 Ca 0.01 -0.05 -0.27 0.00 -0.01 0.00 0.00 64.34 64.01 3kiy n VAL 42 Cb 0.41 -1.98 -0.14 0.00 -0.91 0.00 0.00 33.84 31.21 3kiy n VAL 42 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3kiy s GLU 43 N 2.40 1.49 -0.31 5.55 -1.05 0.29 -2.65 118.70 124.42 3kiy s GLU 43 Ca 0.82 -1.08 -0.03 0.00 -0.15 0.00 0.00 54.97 54.53 3kiy s GLU 43 Cb -0.54 -1.69 0.05 0.00 -0.44 0.00 0.00 34.13 31.50 3kiy s GLU 43 CO 0.38 0.43 0.02 0.08 0.95 0.00 0.00 175.26 177.12 3kiy s VAL 44 N -0.88 3.15 -0.17 1.83 1.01 -0.78 -2.09 120.40 122.47 3kiy s VAL 44 Ca 0.10 -1.32 -0.05 0.00 0.00 0.00 0.00 61.98 60.70 3kiy s VAL 44 Cb -0.09 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 3kiy s VAL 44 CO 0.03 -0.11 0.01 -1.00 0.00 0.00 0.00 175.10 174.03 3kiy s HIS 45 N 1.29 3.13 -0.08 5.22 3.76 -0.40 -2.80 115.29 125.40 3kiy s HIS 45 Ca -0.04 -0.13 -0.06 0.00 -0.15 0.00 0.00 55.06 54.67 3kiy s HIS 45 Cb -0.20 -2.02 0.03 0.00 1.11 0.00 0.00 32.58 31.50 3kiy s HIS 45 CO -0.00 0.04 0.21 0.00 -0.85 0.00 0.00 174.74 174.14 3kiy s ALA 46 N 0.40 -0.49 0.10 -1.40 0.00 -1.14 -0.11 121.76 119.12 3kiy s ALA 46 Ca -0.01 0.72 -0.22 0.00 0.00 0.00 0.00 51.96 52.45 3kiy s ALA 46 Cb -0.13 -0.45 -0.07 0.00 0.00 0.00 0.00 23.12 22.47 3kiy s ALA 46 CO 0.02 -0.14 0.67 0.21 0.00 0.00 0.00 175.76 176.52 3kiy s LYS 47 N 0.61 4.39 0.44 0.00 2.47 0.26 -3.19 119.74 124.71 3kiy s LYS 47 Ca -0.04 0.94 0.05 0.00 -1.56 0.00 0.00 55.97 55.36 3kiy s LYS 47 Cb -0.06 -3.27 0.05 0.00 -1.46 0.00 0.00 37.83 33.10 3kiy s LYS 47 CO -0.03 0.54 0.45 1.28 0.16 0.00 0.00 175.35 177.75 3kiy n LEU 48 N 1.90 0.00 -2.58 5.43 4.32 -0.90 -1.89 117.00 123.28 3kiy n LEU 48 Ca -0.07 -2.10 -0.26 0.00 -0.02 0.00 0.00 56.01 53.56 3kiy n LEU 48 Cb 0.50 -0.16 -0.01 0.00 -1.62 0.00 0.00 43.42 42.13 3kiy n LEU 48 CO 0.44 -0.58 0.16 0.61 -1.22 0.00 0.00 177.39 176.80 3kiy n GLY 49 N -0.29 5.72 3.34 -0.72 0.00 -1.17 -4.69 105.19 107.38 3kiy n GLY 49 Ca 0.05 -2.70 -0.26 0.00 0.00 0.00 0.00 46.02 43.11 3kiy n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kiy s ILE 50 N -5.20 1.97 -0.42 -0.61 -5.25 -1.26 -4.25 121.20 106.19 3kiy s ILE 50 Ca 0.47 -1.72 -0.26 0.00 -0.99 0.00 0.00 60.65 58.15 3kiy s ILE 50 Cb 0.38 -1.80 0.02 0.00 2.95 0.00 0.00 42.46 44.01 3kiy s ILE 50 CO -0.17 -0.06 0.94 -0.62 -1.79 0.00 0.00 174.94 173.24 3kiy s ASP 51 N -2.15 6.60 0.07 4.36 2.15 -1.26 -4.68 116.67 121.76 3kiy s ASP 51 Ca 0.12 0.37 -0.18 0.00 0.43 0.00 0.00 52.55 53.29 3kiy s ASP 51 Cb -0.09 -2.46 -0.06 0.00 -0.30 0.00 0.00 42.92 40.00 3kiy s ASP 51 CO 0.06 -0.97 1.30 1.55 -0.17 0.00 0.00 175.17 176.94 3kiy h PRO 52 N 8.79 -0.21 -0.25 4.34 0.13 -1.92 -0.42 132.00 142.46 3kiy h PRO 52 Ca -0.24 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3kiy h PRO 52 Cb 1.08 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3kiy h PRO 52 CO 1.01 -0.14 0.00 2.89 -0.23 0.00 0.00 178.00 181.53 3kiy n ARG 53 N -4.16 0.35 -3.02 0.86 0.00 -1.26 -4.64 116.66 104.78 3kiy n ARG 53 Ca -0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.40 3kiy n ARG 53 Cb 0.19 -1.13 -0.06 0.00 -0.00 0.00 0.00 32.46 31.46 3kiy n ARG 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3kiy s ARG 54 N -1.27 3.33 0.59 2.89 1.81 -0.17 -4.91 118.95 121.23 3kiy s ARG 54 Ca 0.00 -0.27 0.29 0.00 -1.72 0.00 0.00 55.73 54.04 3kiy s ARG 54 Cb 0.00 -3.96 1.39 0.00 -0.45 0.00 0.00 34.95 31.93 3kiy s ARG 54 CO 0.00 -1.11 1.79 1.03 -0.68 0.00 0.00 175.30 176.33 3kiy h SER 55 N 8.97 0.00 -1.92 0.23 0.87 -1.87 -2.43 113.55 117.39 3kiy h SER 55 Ca -0.25 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.71 3kiy h SER 55 Cb 1.09 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.63 3kiy h SER 55 CO 0.94 0.00 -0.62 -0.90 -0.53 0.00 0.00 176.83 175.73 3kiy n ASP 56 N -3.64 4.71 -3.64 6.23 5.75 -1.26 -5.24 116.55 119.46 3kiy n ASP 56 Ca 0.12 -3.71 -0.09 0.00 -0.01 0.00 0.00 54.79 51.11 3kiy n ASP 56 Cb 0.86 -0.53 -0.07 0.00 -1.03 0.00 0.00 41.12 40.34 3kiy n ASP 56 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3kiy s GLN 57 N -3.54 0.69 0.00 0.11 -0.21 -0.92 -4.71 119.66 111.09 3kiy s GLN 57 Ca 0.48 1.06 0.00 0.00 0.02 0.00 0.00 55.36 56.92 3kiy s GLN 57 Cb 0.34 0.21 0.00 0.00 1.00 0.00 0.00 33.01 34.56 3kiy s GLN 57 CO -0.17 -0.12 0.00 0.27 -2.12 0.00 0.00 175.29 173.15 3kiy n ASN 166 N 3.66 0.00 -3.78 5.90 6.94 -1.26 -4.93 115.26 121.79 3kiy n ASN 166 Ca -0.18 0.00 -0.14 0.00 -0.02 0.00 0.00 54.58 54.24 3kiy n ASN 166 Cb 0.58 0.00 0.07 0.00 -2.36 0.00 0.00 39.78 38.06 3kiy n ASN 166 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3kiy n ASP 167 N -1.44 1.08 -1.03 0.53 5.68 -1.15 -4.94 116.55 115.27 3kiy n ASP 167 Ca 0.00 -1.85 -0.02 0.00 -0.50 0.00 0.00 54.79 52.42 3kiy n ASP 167 Cb 0.00 -0.38 0.04 0.00 -1.14 0.00 0.00 41.12 39.64 3kiy n ASP 167 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3kiy n LYS 168 N -2.09 1.34 -0.97 0.11 2.85 -1.26 -3.15 118.16 114.99 3kiy n LYS 168 Ca 0.11 -0.47 0.02 0.00 -1.05 0.00 0.00 58.31 56.92 3kiy n LYS 168 Cb 0.39 -1.33 0.01 0.00 -0.65 0.00 0.00 35.03 33.45 3kiy n LYS 168 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3kiy n THR 169 N 0.19 0.04 -2.66 0.58 -2.24 -1.26 -4.71 114.28 104.23 3kiy n THR 169 Ca 0.08 -0.53 -0.21 0.00 -2.27 0.00 0.00 64.05 61.12 3kiy n THR 169 Cb 0.59 0.72 0.01 0.00 -2.10 0.00 0.00 70.33 69.55 3kiy n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kiy n GLY 170 N 0.21 -0.50 2.87 3.38 0.00 -1.19 -4.94 105.19 105.02 3kiy n GLY 170 Ca 0.03 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3kiy n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kiy s ALA 171 N -3.10 1.98 0.35 4.61 0.00 -1.26 -2.12 121.76 122.22 3kiy s ALA 171 Ca 0.13 -1.75 0.01 0.00 0.00 0.00 0.00 51.96 50.36 3kiy s ALA 171 Cb -0.06 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 3kiy s ALA 171 CO 0.16 -1.51 0.54 -1.50 0.00 0.00 0.00 175.76 173.45 3kiy s ILE 172 N 1.38 4.93 -0.27 0.00 2.07 -1.19 -2.94 121.20 125.17 3kiy s ILE 172 Ca 0.05 -0.56 -0.29 0.00 -1.41 0.00 0.00 60.65 58.44 3kiy s ILE 172 Cb -0.18 -3.79 0.18 0.00 0.13 0.00 0.00 42.46 38.80 3kiy s ILE 172 CO -0.14 -0.48 1.33 -1.38 -1.91 0.00 0.00 174.94 172.35 3kiy s HIS 173 N -2.30 -0.08 -0.01 3.50 -3.43 -1.26 -2.89 115.29 108.82 3kiy s HIS 173 Ca 0.41 0.15 -0.29 0.00 -0.80 0.00 0.00 55.06 54.53 3kiy s HIS 173 Cb -0.10 0.49 0.10 0.00 -1.43 0.00 0.00 32.58 31.64 3kiy s HIS 173 CO 0.35 -0.07 0.89 0.00 -2.00 0.00 0.00 174.74 173.91 3kiy s ALA 174 N -0.85 -1.82 0.16 -1.38 0.00 -1.12 -4.94 121.76 111.80 3kiy s ALA 174 Ca 0.07 1.02 -0.07 0.00 0.00 0.00 0.00 51.96 52.99 3kiy s ALA 174 Cb -0.02 0.40 -0.06 0.00 0.00 0.00 0.00 23.12 23.44 3kiy s ALA 174 CO -0.08 -0.68 0.43 -1.25 0.00 0.00 0.00 175.76 174.18 3kiy s PRO 175 N -3.09 3.70 -0.34 0.00 0.04 -1.26 -1.86 135.00 132.19 3kiy s PRO 175 Ca 0.05 0.07 0.15 0.00 0.04 0.00 0.00 61.00 61.31 3kiy s PRO 175 Cb -0.01 -2.81 0.44 0.00 0.04 0.00 0.00 34.50 32.15 3kiy s PRO 175 CO -0.09 0.44 1.22 1.33 0.04 0.00 0.00 177.00 179.94 3kiy n VAL 176 N 0.17 0.54 -3.22 -0.36 0.24 -1.09 -4.97 118.33 109.64 3kiy n VAL 176 Ca -0.02 -2.15 0.00 0.00 -2.04 0.00 0.00 64.34 60.13 3kiy n VAL 176 Cb 0.52 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 3kiy n VAL 176 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kiy n GLY 177 N -0.62 -0.94 3.32 7.63 0.00 -1.25 -4.74 105.19 108.59 3kiy n GLY 177 Ca -0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 3kiy n GLY 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kiy s LYS 178 N -0.44 0.97 0.00 1.61 -0.14 -1.26 -3.95 119.74 116.53 3kiy s LYS 178 Ca 0.00 -0.47 0.00 0.00 -1.36 0.00 0.00 55.97 54.14 3kiy s LYS 178 Cb 0.00 0.43 0.00 0.00 -1.68 0.00 0.00 37.83 36.58 3kiy s LYS 178 CO 0.00 -0.35 0.49 0.00 -0.76 0.00 0.00 175.35 174.73 3kiy n ALA 179 N 0.27 1.50 -0.06 5.17 0.00 0.13 -2.79 120.51 124.74 3kiy n ALA 179 Ca -0.18 -0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.17 3kiy n ALA 179 Cb 0.61 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 3kiy n ALA 179 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kiy n SER 180 N -0.99 1.60 -1.57 0.00 3.41 -1.26 -4.80 113.62 110.00 3kiy n SER 180 Ca 0.00 0.26 -0.20 0.00 -0.26 0.00 0.00 58.87 58.67 3kiy n SER 180 Cb 0.00 -0.60 -0.02 0.00 -0.26 0.00 0.00 64.21 63.33 3kiy n SER 180 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3kiy n PHE 181 N -4.08 0.10 -1.47 7.33 3.01 -1.12 -4.76 117.46 116.48 3kiy n PHE 181 Ca -0.15 0.36 -0.43 0.00 1.01 0.00 0.00 57.45 58.24 3kiy n PHE 181 Cb 0.44 -0.72 -0.00 0.00 -0.01 0.00 0.00 39.48 39.19 3kiy n PHE 181 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3kiy n PRO 182 N 0.47 0.62 0.10 -1.08 -0.02 -1.26 -4.73 135.00 129.10 3kiy n PRO 182 Ca 0.07 0.22 0.06 0.00 -2.02 0.00 0.00 63.50 61.83 3kiy n PRO 182 Cb 0.05 -1.47 0.34 0.00 -0.02 0.00 0.00 33.50 32.39 3kiy n PRO 182 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kiy n PRO 183 N 0.72 0.08 -0.01 0.52 -0.02 -1.26 -0.46 135.00 134.58 3kiy n PRO 183 Ca 0.12 0.57 0.08 0.00 -2.02 0.00 0.00 63.50 62.25 3kiy n PRO 183 Cb 0.36 -1.79 -0.12 0.00 -0.02 0.00 0.00 33.50 31.92 3kiy n PRO 183 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kiy n GLU 184 N -1.93 0.67 0.00 -0.52 4.71 -1.26 -4.04 120.64 118.27 3kiy n GLU 184 Ca -0.01 -0.13 0.13 0.00 -0.01 0.00 0.00 57.16 57.14 3kiy n GLU 184 Cb 0.05 -1.36 0.32 0.00 -1.01 0.00 0.00 31.44 29.43 3kiy n GLU 184 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3kiy n LYS 185 N -1.97 1.20 -0.07 3.49 4.01 0.40 -3.78 118.16 121.44 3kiy n LYS 185 Ca -0.02 -0.80 -0.21 0.00 -0.51 0.00 0.00 58.31 56.77 3kiy n LYS 185 Cb 0.40 -1.48 -0.13 0.00 -0.51 0.00 0.00 35.03 33.31 3kiy n LYS 185 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3kiy n LEU 186 N -0.20 2.66 0.00 -0.35 4.77 -0.75 -3.89 117.00 119.24 3kiy n LEU 186 Ca 0.13 0.10 0.04 0.00 -0.03 0.00 0.00 56.01 56.25 3kiy n LEU 186 Cb 0.39 -1.00 0.21 0.00 -2.33 0.00 0.00 43.42 40.69 3kiy n LEU 186 CO 0.23 0.82 0.44 0.00 -1.33 0.00 0.00 177.39 177.56 3kiy n ALA 187 N -3.23 1.76 0.05 -1.18 0.00 -1.25 -0.29 120.51 116.36 3kiy n ALA 187 Ca -0.39 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.05 3kiy n ALA 187 Cb 0.98 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.26 3kiy n ALA 187 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kiy n ASP 188 N -1.01 0.74 -0.72 0.00 8.00 -1.25 -3.61 116.55 118.70 3kiy n ASP 188 Ca 0.05 0.31 0.06 0.00 0.71 0.00 0.00 54.79 55.92 3kiy n ASP 188 Cb 0.03 0.47 0.18 0.00 -0.02 0.00 0.00 41.12 41.78 3kiy n ASP 188 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3kiy n ASN 189 N -2.75 3.20 -0.12 -2.24 4.13 0.60 -3.37 115.26 114.71 3kiy n ASN 189 Ca -0.07 -2.25 -0.19 0.00 1.68 0.00 0.00 54.58 53.76 3kiy n ASN 189 Cb 0.72 -0.31 -0.10 0.00 -1.54 0.00 0.00 39.78 38.54 3kiy n ASN 189 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3kiy n ILE 190 N 0.30 1.35 0.48 2.41 2.08 -1.02 -3.04 119.36 121.92 3kiy n ILE 190 Ca 0.14 -0.48 0.13 0.00 0.56 0.00 0.00 62.75 63.10 3kiy n ILE 190 Cb 0.55 -1.45 0.29 0.00 -0.75 0.00 0.00 39.64 38.28 3kiy n ILE 190 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 3kiy h ARG 191 N -0.20 0.00 0.00 0.38 3.08 -1.75 -2.43 114.38 113.45 3kiy h ARG 191 Ca -0.55 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.23 3kiy h ARG 191 Cb 1.75 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.76 3kiy h ARG 191 CO -0.15 0.00 -1.81 0.00 -1.07 0.00 0.00 179.97 176.94 3kiy n ALA 192 N -1.90 1.66 0.08 0.04 0.00 -1.22 -3.01 120.51 116.16 3kiy n ALA 192 Ca 0.05 -0.84 -0.13 0.00 0.00 0.00 0.00 53.44 52.52 3kiy n ALA 192 Cb 0.47 -0.71 -0.13 0.00 0.00 0.00 0.00 19.45 19.07 3kiy n ALA 192 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3kiy h PHE 193 N 0.00 0.29 0.33 0.00 3.57 -1.55 -2.90 116.94 116.68 3kiy h PHE 193 Ca -0.31 -0.21 -0.02 0.00 3.53 0.00 0.00 57.97 60.96 3kiy h PHE 193 Cb 1.92 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.65 3kiy h PHE 193 CO 0.00 1.18 -0.16 0.82 -2.23 0.00 0.00 178.31 177.93 3kiy h ILE 194 N 0.04 0.61 0.00 1.41 1.08 -1.59 -2.21 117.51 116.85 3kiy h ILE 194 Ca -0.11 -0.67 0.00 0.00 -0.39 0.00 0.00 64.86 63.69 3kiy h ILE 194 Cb 1.91 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 36.57 3kiy h ILE 194 CO 0.17 0.12 0.00 0.54 -0.69 0.00 0.00 178.15 178.28 3kiy n ARG 195 N -5.12 0.40 -0.11 2.37 1.74 -1.16 -0.96 116.66 113.82 3kiy n ARG 195 Ca -0.09 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.86 3kiy n ARG 195 Cb 0.27 -1.36 -0.14 0.00 -1.02 0.00 0.00 32.46 30.20 3kiy n ARG 195 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kiy n ALA 196 N -0.86 1.48 -0.05 7.54 0.00 -1.09 -4.02 120.51 123.51 3kiy n ALA 196 Ca 0.07 -1.24 -0.09 0.00 0.00 0.00 0.00 53.44 52.18 3kiy n ALA 196 Cb 0.03 -0.14 -0.08 0.00 0.00 0.00 0.00 19.45 19.25 3kiy n ALA 196 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kiy h LEU 197 N 0.00 -0.01 -1.74 0.00 3.38 -0.58 -3.27 115.31 113.08 3kiy h LEU 197 Ca -0.56 -0.63 0.08 0.00 0.09 0.00 0.00 57.88 56.87 3kiy h LEU 197 Cb 2.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.84 3kiy h LEU 197 CO -0.02 0.79 0.52 -0.33 0.09 0.00 0.00 178.44 179.49 3kiy h GLU 198 N -0.98 0.00 -0.36 1.13 5.08 -1.28 0.95 114.58 119.12 3kiy h GLU 198 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kiy h GLU 198 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3kiy h GLU 198 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 3kiy n ALA 199 N -2.10 2.56 -2.53 3.43 0.00 -1.23 -3.85 120.51 116.79 3kiy n ALA 199 Ca 0.05 -0.34 0.03 0.00 0.00 0.00 0.00 53.44 53.18 3kiy n ALA 199 Cb 0.65 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 19.14 3kiy n ALA 199 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kiy n HIS 200 N 0.04 0.29 -2.67 0.00 8.25 0.33 -5.07 115.22 116.40 3kiy n HIS 200 Ca 0.06 -0.90 -0.43 0.00 -0.26 0.00 0.00 57.72 56.19 3kiy n HIS 200 Cb 0.23 -0.17 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 3kiy n HIS 200 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3kiy s LYS 201 N -0.96 4.05 1.04 -0.41 2.20 -1.25 -5.02 119.74 119.39 3kiy s LYS 201 Ca 0.33 1.02 -0.16 0.00 -0.36 0.00 0.00 55.97 56.80 3kiy s LYS 201 Cb 0.37 -3.74 0.08 0.00 -1.51 0.00 0.00 37.83 33.04 3kiy s LYS 201 CO -0.14 -0.89 0.26 -2.30 -0.36 0.00 0.00 175.35 171.92 3kiy n PRO 202 N 6.83 -1.03 0.00 4.03 -0.02 -1.26 -4.98 135.00 138.57 3kiy n PRO 202 Ca 0.11 -0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3kiy n PRO 202 Cb 0.47 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 3kiy n PRO 202 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kiy n GLU 203 N -2.09 0.00 -0.55 -0.52 -0.58 -1.26 -3.68 120.64 111.96 3kiy n GLU 203 Ca 0.04 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.68 3kiy n GLU 203 Cb 0.58 -0.97 -0.07 0.00 -0.57 0.00 0.00 31.44 30.41 3kiy n GLU 203 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kiy n GLY 204 N -0.37 2.27 3.17 0.62 0.00 -1.26 -4.73 105.19 104.89 3kiy n GLY 204 Ca 0.00 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 3kiy n GLY 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kiy s ALA 205 N 2.37 3.53 -0.22 4.61 0.00 -1.24 -4.93 121.76 125.88 3kiy s ALA 205 Ca 0.35 -2.92 -0.10 0.00 0.00 0.00 0.00 51.96 49.29 3kiy s ALA 205 Cb 0.15 -2.80 -0.05 0.00 0.00 0.00 0.00 23.12 20.42 3kiy s ALA 205 CO -0.01 -2.02 0.13 -1.59 0.00 0.00 0.00 175.76 172.27 3kiy s LYS 206 N 0.63 4.05 0.00 0.00 -2.85 -1.26 -4.98 119.74 115.33 3kiy s LYS 206 Ca 0.12 -0.29 0.00 0.00 -1.00 0.00 0.00 55.97 54.80 3kiy s LYS 206 Cb -0.21 -3.43 0.00 0.00 -2.06 0.00 0.00 37.83 32.13 3kiy s LYS 206 CO -0.03 0.14 0.00 0.41 0.10 0.00 0.00 175.35 175.97 3kiy n GLY 207 N 4.01 3.84 3.69 0.59 0.00 -1.26 -4.84 105.19 111.22 3kiy n GLY 207 Ca -0.16 -1.60 -0.51 0.00 0.00 0.00 0.00 46.02 43.76 3kiy n GLY 207 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kiy n THR 208 N -1.36 0.43 -0.08 2.61 -1.04 -1.26 -4.73 114.28 108.84 3kiy n THR 208 Ca 0.00 -0.08 -0.06 0.00 -2.04 0.00 0.00 64.05 61.87 3kiy n THR 208 Cb 0.00 -1.62 0.13 0.00 -1.82 0.00 0.00 70.33 67.02 3kiy n THR 208 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 3kiy h PHE 209 N 8.19 0.82 -2.40 -1.42 3.57 -1.92 -3.25 116.94 120.53 3kiy h PHE 209 Ca -0.48 -0.16 -0.80 0.00 3.53 0.00 0.00 57.97 60.07 3kiy h PHE 209 Cb 1.29 -0.21 -0.28 0.00 2.79 0.00 0.00 35.95 39.54 3kiy h PHE 209 CO 0.82 0.84 0.89 1.28 -2.23 0.00 0.00 178.31 179.92 3kiy n LEU 210 N -4.15 6.99 -0.10 0.59 4.77 -1.26 -3.04 117.00 120.80 3kiy n LEU 210 Ca 0.01 -5.36 0.04 0.00 -0.03 0.00 0.00 56.01 50.67 3kiy n LEU 210 Cb 0.38 -1.16 0.37 0.00 -2.33 0.00 0.00 43.42 40.68 3kiy n LEU 210 CO 0.43 1.98 1.19 -0.09 -1.33 0.00 0.00 177.39 179.58 3kiy h ARG 211 N 4.44 0.67 -2.57 3.23 2.43 -1.41 -3.43 114.38 117.74 3kiy h ARG 211 Ca 0.44 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.47 3kiy h ARG 211 Cb 0.40 -0.15 -0.24 0.00 -0.42 0.00 0.00 29.97 29.56 3kiy h ARG 211 CO 1.20 0.45 -0.19 0.45 -1.51 0.00 0.00 179.97 180.36 3kiy s SER 212 N -6.46 -0.53 -0.38 -3.80 0.15 -1.05 -4.92 113.70 96.71 3kiy s SER 212 Ca -0.09 0.97 0.01 0.00 0.70 0.00 0.00 55.95 57.54 3kiy s SER 212 Cb 0.18 0.94 0.14 0.00 -1.71 0.00 0.00 66.02 65.57 3kiy s SER 212 CO 0.75 -0.18 0.22 -0.69 1.20 0.00 0.00 173.24 174.55 3kiy s VAL 213 N 0.70 0.46 0.04 4.45 1.01 -1.26 0.90 120.40 126.70 3kiy s VAL 213 Ca -0.04 -1.95 -0.06 0.00 0.00 0.00 0.00 61.98 59.94 3kiy s VAL 213 Cb -0.05 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 3kiy s VAL 213 CO -0.05 -0.97 0.28 -0.31 0.00 0.00 0.00 175.10 174.05 3kiy s TYR 214 N 0.86 3.56 -0.04 5.22 1.51 0.85 -2.24 117.35 127.07 3kiy s TYR 214 Ca 0.18 0.55 0.01 0.00 -1.01 0.00 0.00 57.07 56.81 3kiy s TYR 214 Cb -0.23 -1.98 0.02 0.00 -0.11 0.00 0.00 41.96 39.66 3kiy s TYR 214 CO 0.00 0.58 -0.05 0.08 -1.11 0.00 0.00 175.55 175.05 3kiy s VAL 215 N -1.37 0.55 0.27 0.71 1.01 -0.38 -1.27 120.40 119.91 3kiy s VAL 215 Ca 0.30 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 3kiy s VAL 215 Cb -0.13 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.71 3kiy s VAL 215 CO 0.18 0.22 0.40 1.07 0.00 0.00 0.00 175.10 176.97 3kiy n THR 216 N 3.84 0.00 -3.63 3.92 5.66 -0.89 -0.74 114.28 122.44 3kiy n THR 216 Ca -0.24 -1.26 -0.18 0.00 -3.05 0.00 0.00 64.05 59.33 3kiy n THR 216 Cb 0.52 0.81 0.01 0.00 -1.55 0.00 0.00 70.33 70.12 3kiy n THR 216 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3kiy n THR 217 N -0.43 0.00 -0.32 1.09 -2.24 -1.26 0.11 114.28 111.23 3kiy n THR 217 Ca -0.00 -1.53 0.25 0.00 -2.27 0.00 0.00 64.05 60.50 3kiy n THR 217 Cb 0.44 -0.26 0.55 0.00 -2.10 0.00 0.00 70.33 68.97 3kiy n THR 217 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3kiy h THR 218 N 0.51 0.50 0.00 4.28 2.02 -1.81 -3.38 112.91 115.03 3kiy h THR 218 Ca -0.24 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.83 3kiy h THR 218 Cb 0.91 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3kiy h THR 218 CO 0.37 0.06 0.00 0.23 0.37 0.00 0.00 175.52 176.55 3kiy n MET 219 N -4.56 0.00 -0.35 6.66 2.81 -1.26 -5.04 117.12 115.38 3kiy n MET 219 Ca 0.25 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 56.02 3kiy n MET 219 Cb 0.95 -0.01 0.01 0.00 -0.71 0.00 0.00 33.22 33.46 3kiy n MET 219 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kiy n GLY 220 N 3.76 -1.47 3.43 3.03 0.00 -1.25 -4.92 105.19 107.76 3kiy n GLY 220 Ca 0.00 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 3kiy n GLY 220 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kiy s PRO 221 N -0.70 -1.67 -0.01 1.61 0.04 -1.26 -4.17 135.00 128.85 3kiy s PRO 221 Ca 0.14 0.53 0.02 0.00 0.04 0.00 0.00 61.00 61.73 3kiy s PRO 221 Cb -0.04 -1.49 -0.03 0.00 0.04 0.00 0.00 34.50 32.98 3kiy s PRO 221 CO 0.27 -4.14 -0.03 -1.54 0.04 0.00 0.00 177.00 171.60 3kiy s SER 222 N -2.80 4.93 -0.12 6.66 1.04 -1.26 -4.36 113.70 117.79 3kiy s SER 222 Ca 0.69 -0.05 0.03 0.00 0.48 0.00 0.00 55.95 57.10 3kiy s SER 222 Cb -0.20 -1.24 0.01 0.00 0.10 0.00 0.00 66.02 64.68 3kiy s SER 222 CO 0.62 0.29 -0.23 -0.69 0.98 0.00 0.00 173.24 174.21 3kiy s VAL 223 N -1.03 2.02 -0.39 5.02 1.01 0.08 -4.91 120.40 122.20 3kiy s VAL 223 Ca 0.18 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.89 3kiy s VAL 223 Cb -0.11 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.52 3kiy s VAL 223 CO 0.08 0.55 1.12 -0.60 0.00 0.00 0.00 175.10 176.25 3kiy s ARG 224 N 0.57 3.90 0.02 2.72 3.52 -1.26 -1.25 118.95 127.17 3kiy s ARG 224 Ca -0.13 0.85 0.07 0.00 -0.13 0.00 0.00 55.73 56.38 3kiy s ARG 224 Cb -0.17 -3.82 -0.03 0.00 -1.56 0.00 0.00 34.95 29.37 3kiy s ARG 224 CO 0.04 -1.14 -0.19 0.96 -0.81 0.00 0.00 175.30 174.16 3kiy s ILE 225 N 4.07 2.73 -0.29 4.11 -5.25 -0.95 -0.22 121.20 125.40 3kiy s ILE 225 Ca 0.47 -1.13 -0.25 0.00 -0.99 0.00 0.00 60.65 58.75 3kiy s ILE 225 Cb -0.10 -2.12 0.00 0.00 2.95 0.00 0.00 42.46 43.19 3kiy s ILE 225 CO 0.23 0.39 0.87 0.21 -1.79 0.00 0.00 174.94 174.85 3kiy s ASN 226 N -1.27 6.77 0.00 4.36 2.47 -0.20 -4.59 114.94 122.49 3kiy s ASN 226 Ca 0.14 0.85 0.00 0.00 0.42 0.00 0.00 52.86 54.27 3kiy s ASN 226 Cb -0.10 -2.45 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 3kiy s ASN 226 CO 0.04 -0.65 0.28 -0.81 -3.72 0.00 0.00 177.10 172.24 3kiy n PRO 227 N 6.30 0.48 -1.29 0.43 -0.04 -1.26 -2.60 135.00 137.01 3kiy n PRO 227 Ca 0.06 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.56 3kiy n PRO 227 Cb 0.48 -1.24 0.04 0.00 -0.04 0.00 0.00 33.50 32.73 3kiy n PRO 227 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3kiy n HIS 228 N 0.35 0.00 -0.97 0.54 8.25 -1.26 -5.01 115.22 117.13 3kiy n HIS 228 Ca 0.00 -0.57 0.00 0.00 -0.26 0.00 0.00 57.72 56.89 3kiy n HIS 228 Cb 0.14 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.10 3kiy n HIS 228 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85