#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy n LEU 3 N 0.00 0.00 -3.57 2.45 7.94 -1.26 -5.10 117.00 117.47 3kiy n LEU 3 Ca 0.00 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.75 3kiy n LEU 3 Cb 0.00 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 3kiy n LEU 3 CO 0.00 0.00 0.48 1.51 -1.11 0.00 0.00 177.39 178.27 3kiy s ASP 4 N 0.00 -0.65 0.20 1.96 -4.77 -1.26 -4.89 116.67 107.26 3kiy s ASP 4 Ca 0.00 0.94 -0.18 0.00 -3.30 0.00 0.00 52.55 50.01 3kiy s ASP 4 Cb 0.00 0.84 0.03 0.00 -1.09 0.00 0.00 42.92 42.70 3kiy s ASP 4 CO 0.00 -0.44 0.54 -0.69 0.70 0.00 0.00 175.17 175.28 3kiy s VAL 5 N -0.59 0.02 0.00 2.11 1.01 -1.26 -5.02 120.40 116.68 3kiy s VAL 5 Ca -0.06 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.14 3kiy s VAL 5 Cb -0.02 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.76 3kiy s VAL 5 CO 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 175.10 175.05 3kiy n ALA 6 N -0.35 0.00 -0.10 5.51 0.00 -1.26 0.19 120.51 124.49 3kiy n ALA 6 Ca -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 3kiy n ALA 6 Cb 0.62 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.06 3kiy n ALA 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kiy n LEU 7 N 0.00 -0.23 -0.16 0.00 4.77 -1.26 0.20 117.00 120.33 3kiy n LEU 7 Ca 0.00 0.44 -0.10 0.00 -0.03 0.00 0.00 56.01 56.32 3kiy n LEU 7 Cb 0.00 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 40.94 3kiy n LEU 7 CO 0.00 -0.37 0.49 0.50 -1.33 0.00 0.00 177.39 176.68 3kiy h LYS 8 N 0.00 -0.22 0.05 3.23 1.63 -0.66 0.17 116.57 120.77 3kiy h LYS 8 Ca 0.06 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.87 3kiy h LYS 8 Cb 0.12 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 3kiy h LYS 8 CO -0.24 -0.15 -0.03 -0.09 -3.45 0.00 0.00 179.45 175.50 3kiy h ARG 9 N -0.23 -0.07 -0.42 1.90 2.43 0.13 -3.19 114.38 114.94 3kiy h ARG 9 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3kiy h ARG 9 Cb 0.42 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3kiy h ARG 9 CO -0.52 0.42 0.00 1.63 -1.51 0.00 0.00 179.97 179.99 3kiy n LYS 10 N -4.88 0.16 -0.05 0.20 5.02 0.55 -2.25 118.16 116.91 3kiy n LYS 10 Ca -0.09 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.10 3kiy n LYS 10 Cb 0.27 -1.13 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 3kiy n LYS 10 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3kiy n TYR 11 N 0.49 0.00 -0.84 2.13 9.36 0.53 -3.81 117.16 125.02 3kiy n TYR 11 Ca 0.00 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 61.01 3kiy n TYR 11 Cb 0.05 -0.36 0.13 0.00 -0.63 0.00 0.00 39.34 38.52 3kiy n TYR 11 CO 0.00 0.00 0.00 2.48 0.22 0.00 0.00 176.86 179.56 3kiy n TYR 12 N -3.61 2.47 -0.92 2.98 0.18 -0.95 0.30 117.16 117.61 3kiy n TYR 12 Ca -0.19 -1.77 0.00 0.00 1.88 0.00 0.00 57.90 57.82 3kiy n TYR 12 Cb 0.56 -0.89 0.00 0.00 -0.38 0.00 0.00 39.34 38.62 3kiy n TYR 12 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 3kiy n GLU 13 N -0.73 0.00 0.00 -3.48 0.28 -1.18 -4.76 120.64 110.76 3kiy n GLU 13 Ca 0.48 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.48 3kiy n GLU 13 Cb 1.28 -0.15 0.00 0.00 1.43 0.00 0.00 31.44 34.00 3kiy n GLU 13 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3kiy n GLU 14 N 0.00 0.00 -0.10 3.44 1.02 -1.24 -4.88 120.64 118.87 3kiy n GLU 14 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 3kiy n GLU 14 Cb 0.13 -0.42 -0.07 0.00 -0.02 0.00 0.00 31.44 31.05 3kiy n GLU 14 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3kiy n VAL 15 N -1.41 1.49 -0.15 2.62 0.31 -0.52 -3.91 118.33 116.75 3kiy n VAL 15 Ca 0.00 0.01 -0.08 0.00 -0.01 0.00 0.00 64.34 64.26 3kiy n VAL 15 Cb 0.00 -2.16 -0.06 0.00 -0.91 0.00 0.00 33.84 30.71 3kiy n VAL 15 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3kiy h ARG 16 N -1.00 -0.14 -0.52 5.55 2.47 0.42 -2.31 114.38 118.86 3kiy h ARG 16 Ca -0.27 0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.52 3kiy h ARG 16 Cb 1.08 0.03 -0.08 0.00 -1.65 0.00 0.00 29.97 29.35 3kiy h ARG 16 CO -0.16 -0.09 -0.51 -1.00 0.56 0.00 0.00 179.97 178.77 3kiy h PRO 17 N -0.14 -0.24 -0.99 0.04 0.13 -1.79 -2.29 132.00 126.71 3kiy h PRO 17 Ca 0.07 0.02 0.14 0.00 -0.87 0.00 0.00 66.00 65.35 3kiy h PRO 17 Cb 0.32 0.05 -0.15 0.00 0.13 0.00 0.00 31.00 31.35 3kiy h PRO 17 CO -0.45 -0.16 -0.44 -1.91 -0.23 0.00 0.00 178.00 174.81 3kiy n GLU 18 N -5.05 -0.29 0.22 0.86 4.07 -0.91 -1.27 120.64 118.26 3kiy n GLU 18 Ca -0.02 1.51 0.06 0.00 -0.06 0.00 0.00 57.16 58.66 3kiy n GLU 18 Cb 0.28 -2.24 0.49 0.00 -0.06 0.00 0.00 31.44 29.92 3kiy n GLU 18 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3kiy h LEU 19 N 0.00 0.00 -0.23 4.31 3.38 -0.97 0.73 115.31 122.53 3kiy h LEU 19 Ca 0.29 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 3kiy h LEU 19 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3kiy h LEU 19 CO -0.97 0.26 -0.38 0.16 0.09 0.00 0.00 178.44 177.60 3kiy h ILE 20 N 0.00 0.69 -0.31 1.22 3.07 -0.81 -0.66 117.51 120.70 3kiy h ILE 20 Ca -0.00 -1.83 0.00 0.00 1.55 0.00 0.00 64.86 64.58 3kiy h ILE 20 Cb 0.52 2.23 0.00 0.00 -0.27 0.00 0.00 36.82 39.30 3kiy h ILE 20 CO 0.03 0.37 0.00 -1.14 -1.05 0.00 0.00 178.15 176.36 3kiy n ARG 21 N -3.25 2.23 -0.08 0.16 0.00 -0.80 -2.99 116.66 111.93 3kiy n ARG 21 Ca 0.02 -2.05 -0.10 0.00 -0.00 0.00 0.00 57.85 55.72 3kiy n ARG 21 Cb 0.64 -1.42 -0.10 0.00 0.00 0.00 0.00 32.46 31.59 3kiy n ARG 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3kiy n ARG 22 N 1.17 1.08 0.00 -0.14 5.12 0.25 -4.74 116.66 119.40 3kiy n ARG 22 Ca 0.16 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 56.13 3kiy n ARG 22 Cb 0.52 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.46 3kiy n ARG 22 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 3kiy n PHE 23 N -2.77 0.00 -1.95 -1.55 3.01 -0.29 -5.01 117.46 108.90 3kiy n PHE 23 Ca -0.27 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.16 3kiy n PHE 23 Cb 0.90 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.38 3kiy n PHE 23 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kiy n GLY 24 N 0.58 0.07 0.07 1.37 0.00 -1.16 -5.06 105.19 101.06 3kiy n GLY 24 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 3kiy n GLY 24 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kiy n TYR 25 N -1.72 -3.84 0.12 1.61 4.01 -1.20 -5.06 117.16 111.07 3kiy n TYR 25 Ca -0.01 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 3kiy n TYR 25 Cb 0.52 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 3kiy n TYR 25 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3kiy n GLN 26 N -1.14 0.00 -3.99 -0.72 1.13 -1.26 -5.06 117.38 106.34 3kiy n GLN 26 Ca 0.00 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.80 3kiy n GLN 26 Cb 0.01 -0.06 -0.04 0.00 0.11 0.00 0.00 30.24 30.26 3kiy n GLN 26 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 3kiy s ASN 27 N -4.99 6.05 0.00 1.08 0.01 -1.26 -4.95 114.94 110.88 3kiy s ASN 27 Ca 0.00 0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.23 3kiy s ASN 27 Cb 0.00 -1.75 0.02 0.00 0.41 0.00 0.00 41.25 39.93 3kiy s ASN 27 CO 0.00 0.07 0.19 0.52 -1.51 0.00 0.00 177.10 176.37 3kiy n VAL 28 N -0.39 0.00 -0.00 1.60 0.31 -1.26 -3.38 118.33 115.21 3kiy n VAL 28 Ca -0.07 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3kiy n VAL 28 Cb 0.54 -0.62 -0.00 0.00 -0.91 0.00 0.00 33.84 32.85 3kiy n VAL 28 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 3kiy n TRP 29 N -0.64 0.00 -0.27 3.52 7.02 -1.26 -4.58 117.44 121.23 3kiy n TRP 29 Ca 0.00 0.00 0.17 0.00 -1.02 0.00 0.00 57.50 56.65 3kiy n TRP 29 Cb 0.00 -0.01 0.32 0.00 -2.42 0.00 0.00 31.31 29.21 3kiy n TRP 29 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 3kiy n GLU 30 N -2.54 -0.06 -1.58 -0.99 1.02 -1.22 -4.08 120.64 111.18 3kiy n GLU 30 Ca -0.00 1.18 -0.51 0.00 -0.02 0.00 0.00 57.16 57.81 3kiy n GLU 30 Cb 0.01 -1.96 -0.06 0.00 -0.02 0.00 0.00 31.44 29.40 3kiy n GLU 30 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 3kiy n VAL 31 N -5.04 0.34 -1.05 2.62 3.14 -1.25 -4.80 118.33 112.28 3kiy n VAL 31 Ca 0.23 -0.17 -0.33 0.00 -2.96 0.00 0.00 64.34 61.11 3kiy n VAL 31 Cb 0.78 -1.65 0.01 0.00 -1.06 0.00 0.00 33.84 31.92 3kiy n VAL 31 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 3kiy n PRO 32 N 7.12 0.00 -3.79 1.45 -0.04 -1.26 -5.01 135.00 133.47 3kiy n PRO 32 Ca 0.32 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.65 3kiy n PRO 32 Cb 0.23 -0.86 -0.09 0.00 -0.04 0.00 0.00 33.50 32.74 3kiy n PRO 32 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3kiy s ARG 33 N -0.97 0.62 -0.49 0.54 0.52 -1.26 -5.01 118.95 112.90 3kiy s ARG 33 Ca 0.47 -0.25 -0.28 0.00 -0.52 0.00 0.00 55.73 55.15 3kiy s ARG 33 Cb -0.40 0.27 0.01 0.00 0.52 0.00 0.00 34.95 35.36 3kiy s ARG 33 CO 0.59 -0.17 1.40 -1.17 0.02 0.00 0.00 175.30 175.97 3kiy s LEU 34 N -1.36 3.49 -0.03 2.53 2.96 -1.26 -2.99 118.68 122.02 3kiy s LEU 34 Ca -0.14 0.52 -0.08 0.00 -0.22 0.00 0.00 54.13 54.22 3kiy s LEU 34 Cb -0.06 -3.29 -0.04 0.00 0.50 0.00 0.00 46.19 43.30 3kiy s LEU 34 CO 0.04 -1.57 0.43 -0.08 -1.32 0.00 0.00 176.35 173.84 3kiy h GLU 35 N 10.85 -0.26 -1.57 1.98 4.81 -1.91 -3.45 114.58 125.02 3kiy h GLU 35 Ca -0.27 0.02 0.20 0.00 -0.13 0.00 0.00 59.36 59.18 3kiy h GLU 35 Cb 1.10 0.06 -0.20 0.00 0.63 0.00 0.00 28.75 30.33 3kiy h GLU 35 CO 1.14 -0.18 0.73 -1.59 -0.73 0.00 0.00 179.01 178.38 3kiy s LYS 36 N -2.47 0.41 -0.09 1.92 0.00 -1.26 -4.48 119.74 113.78 3kiy s LYS 36 Ca -0.04 -0.08 0.04 0.00 0.00 0.00 0.00 55.97 55.89 3kiy s LYS 36 Cb 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 37.83 38.02 3kiy s LYS 36 CO 0.12 -0.16 -0.22 0.54 0.00 0.00 0.00 175.35 175.62 3kiy s VAL 37 N -2.10 1.90 -0.31 1.79 0.11 0.27 -0.71 120.40 121.35 3kiy s VAL 37 Ca 0.07 -0.94 0.00 0.00 -2.93 0.00 0.00 61.98 58.18 3kiy s VAL 37 Cb -0.01 -1.64 0.07 0.00 -1.53 0.00 0.00 36.38 33.27 3kiy s VAL 37 CO -0.05 0.53 0.01 -0.69 -3.33 0.00 0.00 175.10 171.57 3kiy s VAL 38 N 0.29 2.73 0.54 2.04 1.01 0.39 -1.80 120.40 125.59 3kiy s VAL 38 Ca -0.15 -1.69 -0.07 0.00 0.00 0.00 0.00 61.98 60.07 3kiy s VAL 38 Cb -0.17 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 3kiy s VAL 38 CO 0.07 -0.25 0.88 0.27 0.00 0.00 0.00 175.10 176.07 3kiy s ILE 39 N 1.15 4.66 -0.21 2.22 -5.25 -1.15 -1.84 121.20 120.78 3kiy s ILE 39 Ca -0.02 0.38 -0.19 0.00 -0.99 0.00 0.00 60.65 59.83 3kiy s ILE 39 Cb -0.20 -3.81 0.05 0.00 2.95 0.00 0.00 42.46 41.45 3kiy s ILE 39 CO -0.04 -0.89 0.55 0.21 -1.79 0.00 0.00 174.94 172.99 3kiy s ASN 40 N -4.16 -0.57 0.00 4.36 3.84 0.22 -3.23 114.94 115.40 3kiy s ASN 40 Ca 0.51 1.10 0.00 0.00 0.21 0.00 0.00 52.86 54.68 3kiy s ASN 40 Cb -0.11 1.12 0.00 0.00 -0.55 0.00 0.00 41.25 41.71 3kiy s ASN 40 CO 0.48 -0.19 0.00 0.00 -2.79 0.00 0.00 177.10 174.60 3kiy n GLN 41 N 2.78 0.00 0.00 0.43 1.13 0.23 0.31 117.38 122.26 3kiy n GLN 41 Ca -0.14 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.92 3kiy n GLN 41 Cb 0.56 -0.01 0.00 0.00 0.11 0.00 0.00 30.24 30.90 3kiy n GLN 41 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kiy n GLY 42 N 2.71 3.07 5.39 1.08 0.00 -1.21 -4.71 105.19 111.52 3kiy n GLY 42 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3kiy n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kiy n LEU 43 N 0.00 0.00 -0.72 0.99 7.99 -1.26 -3.26 117.00 120.73 3kiy n LEU 43 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 55.99 3kiy n LEU 43 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 3kiy n LEU 43 CO 0.00 0.00 0.01 0.61 -1.51 0.00 0.00 177.39 176.50 3kiy n GLY 44 N 0.00 0.80 2.83 -0.72 0.00 -1.26 -5.05 105.19 101.79 3kiy n GLY 44 Ca 0.00 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 3kiy n GLY 44 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kiy s GLU 45 N -4.86 0.93 0.00 1.61 0.41 -1.26 -4.89 118.70 110.65 3kiy s GLU 45 Ca 0.02 -0.03 0.00 0.00 -0.41 0.00 0.00 54.97 54.55 3kiy s GLU 45 Cb -0.01 -1.15 0.00 0.00 -1.78 0.00 0.00 34.13 31.19 3kiy s GLU 45 CO 0.03 -0.26 0.16 0.00 -0.49 0.00 0.00 175.26 174.69 3kiy n ALA 46 N 4.94 0.58 -1.00 5.21 0.00 -1.26 -4.82 120.51 124.15 3kiy n ALA 46 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3kiy n ALA 46 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3kiy n ALA 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kiy n LYS 47 N 0.00 2.83 -3.27 0.00 5.02 -1.26 -4.74 118.16 116.75 3kiy n LYS 47 Ca -0.00 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.83 3kiy n LYS 47 Cb 0.16 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.13 3kiy n LYS 47 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3kiy s GLU 48 N 0.00 3.15 0.00 1.97 2.02 -1.26 -4.46 118.70 120.13 3kiy s GLU 48 Ca 0.00 -1.81 0.00 0.00 0.02 0.00 0.00 54.97 53.18 3kiy s GLU 48 Cb 0.00 -4.34 0.00 0.00 0.10 0.00 0.00 34.13 29.89 3kiy s GLU 48 CO 0.00 -1.37 0.00 -3.47 0.02 0.00 0.00 175.26 170.44 3kiy n ASP 49 N 5.21 0.00 -2.66 -0.19 2.03 -1.26 -5.03 116.55 114.65 3kiy n ASP 49 Ca -0.06 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.21 3kiy n ASP 49 Cb 0.42 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 3kiy n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kiy n ALA 50 N 0.00 -2.74 -2.72 -1.67 0.00 -1.26 -4.91 120.51 107.21 3kiy n ALA 50 Ca 0.00 0.59 -0.42 0.00 0.00 0.00 0.00 53.44 53.60 3kiy n ALA 50 Cb 0.00 -2.36 -0.04 0.00 0.00 0.00 0.00 19.45 17.05 3kiy n ALA 50 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kiy s ARG 51 N -2.58 3.20 0.00 0.00 1.81 -1.26 -4.89 118.95 115.23 3kiy s ARG 51 Ca 0.12 -0.50 0.00 0.00 -1.72 0.00 0.00 55.73 53.63 3kiy s ARG 51 Cb -0.03 -4.17 0.00 0.00 -0.45 0.00 0.00 34.95 30.30 3kiy s ARG 51 CO 0.62 -1.84 0.21 -0.89 -0.68 0.00 0.00 175.30 172.72 3kiy n ILE 52 N 6.14 0.00 -3.37 1.52 2.08 -1.26 -4.95 119.36 119.52 3kiy n ILE 52 Ca -0.00 0.44 -0.24 0.00 0.56 0.00 0.00 62.75 63.50 3kiy n ILE 52 Cb 0.47 -0.89 0.02 0.00 -0.75 0.00 0.00 39.64 38.49 3kiy n ILE 52 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3kiy n LEU 53 N -0.65 -2.31 -0.01 1.39 7.99 -1.26 -4.80 117.00 117.36 3kiy n LEU 53 Ca 0.00 -0.44 0.10 0.00 -0.01 0.00 0.00 56.01 55.66 3kiy n LEU 53 Cb 0.00 -2.59 -0.14 0.00 -0.11 0.00 0.00 43.42 40.58 3kiy n LEU 53 CO 0.00 0.29 -0.46 -0.62 -1.51 0.00 0.00 177.39 175.08 3kiy n GLU 54 N -4.14 0.53 0.30 3.23 1.02 -1.26 -4.07 120.64 116.25 3kiy n GLU 54 Ca -0.04 -0.11 0.13 0.00 -0.02 0.00 0.00 57.16 57.12 3kiy n GLU 54 Cb 0.57 -1.47 0.71 0.00 -0.02 0.00 0.00 31.44 31.23 3kiy n GLU 54 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3kiy h LYS 55 N 0.00 0.00 0.00 3.49 3.64 -2.01 1.11 116.57 122.81 3kiy h LYS 55 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kiy h LYS 55 Cb 0.75 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3kiy h LYS 55 CO 0.00 0.00 -1.03 0.00 -2.27 0.00 0.00 179.45 176.15 3kiy n ALA 56 N -1.82 2.76 -0.06 5.00 0.00 -1.26 -3.36 120.51 121.78 3kiy n ALA 56 Ca -0.02 -0.29 -0.16 0.00 0.00 0.00 0.00 53.44 52.97 3kiy n ALA 56 Cb 0.38 -1.06 -0.13 0.00 0.00 0.00 0.00 19.45 18.64 3kiy n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kiy h ALA 57 N 2.18 0.05 -0.43 0.00 0.00 0.10 -2.96 119.26 118.20 3kiy h ALA 57 Ca 0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 54.91 54.14 3kiy h ALA 57 Cb 0.91 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3kiy h ALA 57 CO 0.00 0.20 -0.11 -0.56 0.00 0.00 0.00 179.25 178.77 3kiy h GLN 58 N -0.92 0.78 0.00 0.00 -0.00 -1.62 -0.57 115.11 112.78 3kiy h GLN 58 Ca -0.09 -0.26 -0.01 0.00 -0.00 0.00 0.00 58.65 58.29 3kiy h GLN 58 Cb 1.14 -0.06 -0.00 0.00 -0.00 0.00 0.00 27.48 28.56 3kiy h GLN 58 CO -0.02 0.86 -0.02 0.93 -0.00 0.00 0.00 178.83 180.58 3kiy h GLU 59 N 0.71 0.00 0.19 0.06 5.08 -1.68 -1.45 114.58 117.49 3kiy h GLU 59 Ca 0.12 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.16 3kiy h GLU 59 Cb 0.60 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.86 3kiy h GLU 59 CO 0.04 0.02 -1.47 1.25 -1.00 0.00 0.00 179.01 177.85 3kiy h LEU 60 N 0.00 0.62 -0.96 1.33 7.12 -0.95 -3.31 115.31 119.16 3kiy h LEU 60 Ca -0.00 -0.73 -0.10 0.00 0.13 0.00 0.00 57.88 57.19 3kiy h LEU 60 Cb 0.17 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.08 3kiy h LEU 60 CO 0.00 1.58 -0.27 0.00 -0.13 0.00 0.00 178.44 179.63 3kiy h ALA 61 N 0.32 1.12 0.00 1.25 0.00 -0.49 -2.26 119.26 119.20 3kiy h ALA 61 Ca -0.24 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3kiy h ALA 61 Cb 2.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3kiy h ALA 61 CO 0.22 0.55 0.00 1.28 0.00 0.00 0.00 179.25 181.31 3kiy n LEU 62 N -4.12 0.07 -0.00 0.00 4.32 -0.75 0.21 117.00 116.74 3kiy n LEU 62 Ca -0.01 0.53 0.01 0.00 -0.02 0.00 0.00 56.01 56.52 3kiy n LEU 62 Cb 0.41 -0.53 -0.01 0.00 -1.62 0.00 0.00 43.42 41.67 3kiy n LEU 62 CO 0.42 -0.49 -0.00 2.30 -1.22 0.00 0.00 177.39 178.39 3kiy n ILE 63 N -1.59 0.00 0.00 -0.08 -5.35 -0.89 -4.77 119.36 106.68 3kiy n ILE 63 Ca 0.01 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 3kiy n ILE 63 Cb 0.05 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 3kiy n ILE 63 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 3kiy n THR 64 N -1.04 0.00 0.00 7.28 5.66 -0.84 -4.92 114.28 120.42 3kiy n THR 64 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3kiy n THR 64 Cb 0.03 -0.64 0.00 0.00 -1.55 0.00 0.00 70.33 68.17 3kiy n THR 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3kiy n GLY 65 N 2.70 2.77 3.72 1.09 0.00 0.58 -4.90 105.19 111.14 3kiy n GLY 65 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 3kiy n GLY 65 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kiy s GLN 66 N 0.00 -0.45 -0.14 1.61 -0.21 -1.26 -4.75 119.66 114.46 3kiy s GLN 66 Ca 0.00 -0.15 -0.07 0.00 0.02 0.00 0.00 55.36 55.15 3kiy s GLN 66 Cb 0.00 -1.69 -0.04 0.00 1.00 0.00 0.00 33.01 32.27 3kiy s GLN 66 CO 0.00 -3.19 0.13 0.15 -2.12 0.00 0.00 175.29 170.26 3kiy s LYS 67 N -5.55 3.58 0.95 2.91 1.02 -1.26 -3.99 119.74 117.40 3kiy s LYS 67 Ca 0.71 -0.17 -0.12 0.00 0.02 0.00 0.00 55.97 56.42 3kiy s LYS 67 Cb -0.08 -3.22 0.16 0.00 -0.52 0.00 0.00 37.83 34.17 3kiy s LYS 67 CO 0.55 0.66 1.09 -1.25 -0.92 0.00 0.00 175.35 175.48 3kiy s PRO 68 N -0.70 0.82 -0.95 -1.68 0.04 -1.26 -4.75 135.00 126.52 3kiy s PRO 68 Ca 0.13 0.74 -0.07 0.00 0.04 0.00 0.00 61.00 61.84 3kiy s PRO 68 Cb -0.12 -1.76 0.24 0.00 0.04 0.00 0.00 34.50 32.90 3kiy s PRO 68 CO 0.03 -2.52 0.88 0.00 0.04 0.00 0.00 177.00 175.43 3kiy s ALA 69 N -2.90 4.37 -0.24 8.56 0.00 0.71 -4.86 121.76 127.38 3kiy s ALA 69 Ca 0.64 -3.71 -0.22 0.00 0.00 0.00 0.00 51.96 48.68 3kiy s ALA 69 Cb -0.19 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 3kiy s ALA 69 CO 0.58 -2.19 1.00 0.28 0.00 0.00 0.00 175.76 175.43 3kiy n VAL 70 N 2.85 0.00 -3.90 0.00 0.31 -1.26 -3.94 118.33 112.38 3kiy n VAL 70 Ca 0.20 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.32 3kiy n VAL 70 Cb 0.40 -0.24 -0.02 0.00 -0.91 0.00 0.00 33.84 33.06 3kiy n VAL 70 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3kiy s THR 71 N 2.69 4.65 0.08 2.52 2.01 1.09 -4.96 115.64 123.72 3kiy s THR 71 Ca 0.57 -1.14 0.03 0.00 0.31 0.00 0.00 61.69 61.46 3kiy s THR 71 Cb -0.73 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 3kiy s THR 71 CO 0.33 -0.29 -0.09 -0.13 -0.69 0.00 0.00 174.62 173.75 3kiy s ARG 72 N -3.98 0.76 0.48 4.92 0.52 -1.24 -2.94 118.95 117.46 3kiy s ARG 72 Ca 0.36 -1.06 0.04 0.00 -0.52 0.00 0.00 55.73 54.56 3kiy s ARG 72 Cb -0.08 -0.45 0.02 0.00 0.52 0.00 0.00 34.95 34.95 3kiy s ARG 72 CO 0.28 0.07 0.67 0.00 0.02 0.00 0.00 175.30 176.34 3kiy s ALA 73 N -2.21 4.18 0.00 2.13 0.00 -1.26 -4.69 121.76 119.90 3kiy s ALA 73 Ca 0.02 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.50 3kiy s ALA 73 Cb -0.04 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.20 3kiy s ALA 73 CO -0.00 -0.51 0.00 1.63 0.00 0.00 0.00 175.76 176.88 3kiy n LYS 74 N -2.10 0.00 0.00 0.00 5.02 -1.26 -3.19 118.16 116.63 3kiy n LYS 74 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3kiy n LYS 74 Cb 0.59 -0.01 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 3kiy n LYS 74 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kiy n LYS 75 N -0.70 0.00 -3.15 1.97 4.76 -1.26 -3.74 118.16 116.04 3kiy n LYS 75 Ca 0.00 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.49 3kiy n LYS 75 Cb 0.00 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.18 3kiy n LYS 75 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3kiy s SER 76 N -2.55 -0.67 -1.18 4.39 0.01 -1.26 -1.95 113.70 110.49 3kiy s SER 76 Ca 0.00 0.23 -0.19 0.00 1.31 0.00 0.00 55.95 57.31 3kiy s SER 76 Cb 0.00 1.49 0.09 0.00 0.21 0.00 0.00 66.02 67.81 3kiy s SER 76 CO 0.00 -0.12 1.56 -0.63 0.41 0.00 0.00 173.24 174.45 3kiy s ILE 77 N 2.93 4.28 0.05 1.44 1.01 -1.26 -4.63 121.20 125.01 3kiy s ILE 77 Ca 0.13 -1.71 0.32 0.00 0.00 0.00 0.00 60.65 59.39 3kiy s ILE 77 Cb -0.07 -5.08 0.38 0.00 0.01 0.00 0.00 42.46 37.70 3kiy s ILE 77 CO -0.18 -1.89 1.94 0.77 0.00 0.00 0.00 174.94 175.57 3kiy h SER 78 N 8.19 0.00 -0.18 3.58 4.64 -1.87 -2.63 113.55 125.28 3kiy h SER 78 Ca 0.34 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.65 3kiy h SER 78 Cb 0.92 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 3kiy h SER 78 CO 1.38 0.01 0.09 0.78 -0.87 0.00 0.00 176.83 178.22 3kiy h ASN 79 N 0.00 0.24 -4.02 4.97 4.21 -1.96 -3.36 115.58 115.65 3kiy h ASN 79 Ca -0.00 -0.12 -0.65 0.00 1.21 0.00 0.00 56.30 56.75 3kiy h ASN 79 Cb 0.57 -0.06 -0.41 0.00 -1.12 0.00 0.00 38.32 37.31 3kiy h ASN 79 CO 0.00 0.29 -0.68 0.12 -1.29 0.00 0.00 177.43 175.88 3kiy s PHE 80 N -5.73 3.32 0.00 1.19 2.19 -0.99 -5.10 117.98 112.86 3kiy s PHE 80 Ca -0.13 -3.03 0.00 0.00 0.33 0.00 0.00 56.93 54.09 3kiy s PHE 80 Cb 0.07 -2.79 0.00 0.00 -1.31 0.00 0.00 43.02 39.00 3kiy s PHE 80 CO 0.70 -0.83 0.00 1.63 1.83 0.00 0.00 175.22 178.55 3kiy n LYS 81 N 3.64 0.00 0.00 10.12 5.02 -1.23 -4.74 118.16 130.97 3kiy n LYS 81 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3kiy n LYS 81 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.37 3kiy n LYS 81 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3kiy n LEU 82 N 0.00 0.00 0.00 -0.35 4.77 -1.26 -4.39 117.00 115.77 3kiy n LEU 82 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3kiy n LEU 82 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3kiy n LEU 82 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.39 173.95 3kiy n ARG 83 N 0.00 0.00 0.00 3.23 -4.01 -1.26 -4.34 116.66 110.28 3kiy n ARG 83 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 3kiy n ARG 83 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 3kiy n ARG 83 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 3kiy n LYS 84 N 0.00 0.00 0.00 2.89 5.02 -0.82 -4.63 118.16 120.62 3kiy n LYS 84 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kiy n LYS 84 Cb 0.00 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 3kiy n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kiy n GLY 85 N 0.00 4.58 0.00 0.72 0.00 -1.24 -4.70 105.19 104.56 3kiy n GLY 85 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3kiy n GLY 85 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3kiy n MET 86 N -1.54 0.00 0.00 1.61 0.00 -1.19 -4.83 117.12 111.16 3kiy n MET 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3kiy n MET 86 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 3kiy n MET 86 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3kiy n PRO 87 N 0.00 0.00 -4.23 2.12 -0.02 -1.26 -3.69 135.00 127.92 3kiy n PRO 87 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.25 3kiy n PRO 87 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.41 3kiy n PRO 87 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kiy s ILE 88 N 0.00 3.21 0.00 4.25 -1.09 -1.26 -4.68 121.20 121.63 3kiy s ILE 88 Ca 0.00 -1.83 0.00 0.00 -2.23 0.00 0.00 60.65 56.59 3kiy s ILE 88 Cb 0.00 -2.90 0.00 0.00 -1.58 0.00 0.00 42.46 37.98 3kiy s ILE 88 CO 0.00 -0.28 0.00 0.61 -1.23 0.00 0.00 174.94 174.04 3kiy n GLY 89 N -1.00 3.96 2.87 6.18 0.00 -1.15 -3.99 105.19 112.05 3kiy n GLY 89 Ca -0.05 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 3kiy n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kiy s LEU 90 N 0.00 1.68 -0.29 0.99 2.96 -1.26 0.35 118.68 123.11 3kiy s LEU 90 Ca 0.00 0.06 -0.16 0.00 -0.22 0.00 0.00 54.13 53.81 3kiy s LEU 90 Cb 0.00 0.06 0.14 0.00 0.50 0.00 0.00 46.19 46.89 3kiy s LEU 90 CO 0.00 -0.04 0.91 -0.60 -1.32 0.00 0.00 176.35 175.30 3kiy s ARG 91 N 0.29 0.43 -0.03 1.98 3.00 -1.25 0.77 118.95 124.14 3kiy s ARG 91 Ca -0.02 0.80 0.05 0.00 -1.00 0.00 0.00 55.73 55.55 3kiy s ARG 91 Cb -0.03 0.17 -0.01 0.00 0.00 0.00 0.00 34.95 35.08 3kiy s ARG 91 CO -0.01 -0.10 -0.18 0.54 0.00 0.00 0.00 175.30 175.55 3kiy s VAL 92 N 1.61 1.49 0.36 7.11 0.11 -1.20 -0.21 120.40 129.67 3kiy s VAL 92 Ca -0.08 -0.77 -0.03 0.00 -2.93 0.00 0.00 61.98 58.16 3kiy s VAL 92 Cb -0.05 -1.26 -0.04 0.00 -1.53 0.00 0.00 36.38 33.50 3kiy s VAL 92 CO -0.16 0.42 0.61 -0.89 -3.33 0.00 0.00 175.10 171.75 3kiy s THR 93 N -0.17 5.02 -0.19 5.04 2.01 -1.26 -2.94 115.64 123.14 3kiy s THR 93 Ca 0.01 -0.08 -0.06 0.00 0.31 0.00 0.00 61.69 61.87 3kiy s THR 93 Cb -0.10 -3.81 0.09 0.00 0.01 0.00 0.00 72.50 68.70 3kiy s THR 93 CO 0.01 -0.53 0.38 -0.76 -0.69 0.00 0.00 174.62 173.03 3kiy s LEU 94 N -4.10 -0.58 0.33 4.42 1.43 -0.75 -4.97 118.68 114.47 3kiy s LEU 94 Ca 0.43 0.80 0.10 0.00 -1.03 0.00 0.00 54.13 54.43 3kiy s LEU 94 Cb -0.10 1.19 -0.06 0.00 0.03 0.00 0.00 46.19 47.25 3kiy s LEU 94 CO 0.35 -0.24 -0.10 -0.13 0.23 0.00 0.00 176.35 176.46 3kiy s ARG 95 N 2.57 1.82 0.00 1.70 0.52 -1.26 -0.56 118.95 123.73 3kiy s ARG 95 Ca 0.01 -1.90 0.00 0.00 -0.52 0.00 0.00 55.73 53.32 3kiy s ARG 95 Cb -0.13 -1.73 0.00 0.00 0.52 0.00 0.00 34.95 33.61 3kiy s ARG 95 CO -0.12 0.17 0.00 2.89 0.02 0.00 0.00 175.30 178.26 3kiy n ARG 96 N -0.78 0.00 0.00 3.54 1.85 -1.26 -2.97 116.66 117.04 3kiy n ARG 96 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 3kiy n ARG 96 Cb 0.63 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.04 3kiy n ARG 96 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 3kiy n ASP 97 N 0.00 0.00 0.31 2.89 2.03 -1.26 -2.26 116.55 118.26 3kiy n ASP 97 Ca 0.00 0.00 0.20 0.00 0.52 0.00 0.00 54.79 55.51 3kiy n ASP 97 Cb 0.00 0.00 1.03 0.00 -0.72 0.00 0.00 41.12 41.43 3kiy n ASP 97 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3kiy h ARG 98 N 0.00 0.00 0.65 -0.67 2.47 -1.94 0.67 114.38 115.56 3kiy h ARG 98 Ca 0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 3kiy h ARG 98 Cb 0.00 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.33 3kiy h ARG 98 CO 0.00 0.01 -0.31 1.98 0.56 0.00 0.00 179.97 182.21 3kiy h MET 99 N 0.00 -0.84 -0.08 0.04 1.85 -1.34 -2.81 114.93 111.74 3kiy h MET 99 Ca -0.00 0.06 -0.04 0.00 -0.61 0.00 0.00 59.70 59.11 3kiy h MET 99 Cb 0.16 0.19 -0.01 0.00 0.43 0.00 0.00 31.60 32.37 3kiy h MET 99 CO 0.00 -0.56 -0.14 -1.49 -0.40 0.00 0.00 176.91 174.32 3kiy h TRP 100 N -1.06 0.13 0.00 1.39 4.06 -1.53 0.32 115.95 119.26 3kiy h TRP 100 Ca -0.09 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.85 3kiy h TRP 100 Cb 0.67 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.79 3kiy h TRP 100 CO 0.03 0.27 0.07 0.82 -3.56 0.00 0.00 178.44 176.07 3kiy h ILE 101 N 0.12 0.00 0.00 1.49 2.04 0.39 0.82 117.51 122.38 3kiy h ILE 101 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3kiy h ILE 101 Cb 0.32 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3kiy h ILE 101 CO 0.02 0.00 0.00 0.33 0.00 0.00 0.00 178.15 178.50 3kiy n PHE 102 N -2.38 0.00 -0.38 1.37 -0.00 0.11 -3.55 117.46 112.62 3kiy n PHE 102 Ca -0.02 0.00 0.32 0.00 -0.00 0.00 0.00 57.45 57.75 3kiy n PHE 102 Cb 0.11 -0.12 0.62 0.00 -0.00 0.00 0.00 39.48 40.10 3kiy n PHE 102 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 3kiy h LEU 103 N 0.00 0.26 0.00 -2.13 3.38 -1.37 0.72 115.31 116.18 3kiy h LEU 103 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3kiy h LEU 103 Cb 0.00 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3kiy h LEU 103 CO 0.00 -0.02 0.00 1.21 0.09 0.00 0.00 178.44 179.72 3kiy n GLU 104 N -4.51 0.00 0.00 1.13 4.07 0.28 -1.36 120.64 120.24 3kiy n GLU 104 Ca 0.30 0.44 0.00 0.00 -0.06 0.00 0.00 57.16 57.84 3kiy n GLU 104 Cb 1.20 -1.36 0.00 0.00 -0.06 0.00 0.00 31.44 31.22 3kiy n GLU 104 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3kiy n LYS 105 N -1.81 0.00 0.00 5.31 4.81 -0.07 -2.38 118.16 124.02 3kiy n LYS 105 Ca 0.00 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 3kiy n LYS 105 Cb 0.00 -1.63 0.00 0.00 0.02 0.00 0.00 35.03 33.42 3kiy n LYS 105 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3kiy n LEU 106 N -1.26 1.86 0.00 3.14 7.94 0.23 -3.94 117.00 124.98 3kiy n LEU 106 Ca 0.00 0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 3kiy n LEU 106 Cb 0.13 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.05 3kiy n LEU 106 CO 0.00 -0.02 0.29 0.18 -1.11 0.00 0.00 177.39 176.73 3kiy n LEU 107 N -0.91 0.00 -0.73 -1.96 4.77 -0.46 0.15 117.00 117.86 3kiy n LEU 107 Ca 0.00 0.12 0.07 0.00 -0.03 0.00 0.00 56.01 56.18 3kiy n LEU 107 Cb 0.00 -0.12 0.20 0.00 -2.33 0.00 0.00 43.42 41.17 3kiy n LEU 107 CO 0.00 -0.12 0.66 0.59 -1.33 0.00 0.00 177.39 177.19 3kiy n ASN 108 N -1.04 3.38 0.00 -1.43 4.13 -1.00 -4.81 115.26 114.49 3kiy n ASN 108 Ca 0.00 -2.59 0.00 0.00 1.68 0.00 0.00 54.58 53.67 3kiy n ASN 108 Cb 0.04 -0.40 0.00 0.00 -1.54 0.00 0.00 39.78 37.88 3kiy n ASN 108 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3kiy n VAL 109 N -0.15 0.00 0.00 2.41 0.31 0.12 -4.98 118.33 116.05 3kiy n VAL 109 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 3kiy n VAL 109 Cb 0.68 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.61 3kiy n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kiy n ALA 110 N -1.91 0.00 -0.29 3.52 0.00 -0.14 0.31 120.51 122.00 3kiy n ALA 110 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3kiy n ALA 110 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 3kiy n ALA 110 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kiy h LEU 111 N 0.00 -1.16 -2.01 0.00 3.38 -1.85 1.06 115.31 114.73 3kiy h LEU 111 Ca 0.00 0.26 0.03 0.00 0.09 0.00 0.00 57.88 58.27 3kiy h LEU 111 Cb 0.00 0.62 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3kiy h LEU 111 CO 0.00 -0.29 0.36 -0.65 0.09 0.00 0.00 178.44 177.94 3kiy h PRO 112 N -0.07 0.00 -0.88 1.13 0.11 -1.25 0.02 132.00 131.05 3kiy h PRO 112 Ca 0.31 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.84 3kiy h PRO 112 Cb 0.58 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.29 3kiy h PRO 112 CO -0.83 0.00 -0.45 -2.13 -0.21 0.00 0.00 178.00 174.38 3kiy n ARG 113 N -3.15 3.41 -4.44 1.05 0.00 0.92 -4.99 116.66 109.47 3kiy n ARG 113 Ca 0.01 -4.01 -0.34 0.00 -0.00 0.00 0.00 57.85 53.51 3kiy n ARG 113 Cb 0.44 -2.28 -0.15 0.00 0.00 0.00 0.00 32.46 30.48 3kiy n ARG 113 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3kiy s ILE 114 N -4.72 2.95 0.00 5.15 1.01 -0.01 -4.63 121.20 120.95 3kiy s ILE 114 Ca 0.53 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.51 3kiy s ILE 114 Cb 0.43 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.63 3kiy s ILE 114 CO 0.00 0.50 0.00 0.54 0.00 0.00 0.00 174.94 175.98 3kiy n ARG 115 N 4.07 0.00 -0.81 2.79 1.74 -1.26 -4.38 116.66 118.81 3kiy n ARG 115 Ca -0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 3kiy n ARG 115 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 3kiy n ARG 115 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3kiy n ASP 116 N 0.00 0.30 0.00 0.55 8.00 -1.26 -5.14 116.55 119.00 3kiy n ASP 116 Ca 0.00 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.79 3kiy n ASP 116 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3kiy n ASP 116 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3kiy n PHE 117 N -0.60 0.00 0.00 1.24 7.35 -1.26 -5.05 117.46 119.14 3kiy n PHE 117 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3kiy n PHE 117 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 3kiy n PHE 117 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 3kiy n ARG 118 N -0.67 0.00 0.00 -4.13 0.63 -1.26 -5.16 116.66 106.06 3kiy n ARG 118 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3kiy n ARG 118 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3kiy n ARG 118 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kiy n GLY 119 N -0.29 1.31 3.71 5.14 0.00 -1.26 -4.52 105.19 109.28 3kiy n GLY 119 Ca 0.00 -1.38 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 3kiy n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kiy s LEU 120 N 0.00 4.28 0.30 0.99 1.43 1.07 -4.36 118.68 122.39 3kiy s LEU 120 Ca 0.00 0.95 -0.27 0.00 -1.03 0.00 0.00 54.13 53.79 3kiy s LEU 120 Cb 0.00 -2.85 -0.14 0.00 0.03 0.00 0.00 46.19 43.22 3kiy s LEU 120 CO 0.00 -0.06 0.76 -3.20 0.23 0.00 0.00 176.35 174.08 3kiy n ASN 121 N 3.82 0.08 0.00 2.29 2.85 -1.26 -1.36 115.26 121.68 3kiy n ASN 121 Ca -0.04 1.10 0.00 0.00 -0.11 0.00 0.00 54.58 55.52 3kiy n ASN 121 Cb 0.51 -1.16 0.00 0.00 1.24 0.00 0.00 39.78 40.38 3kiy n ASN 121 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3kiy n PRO 122 N 0.76 0.00 -0.12 1.20 -0.04 -1.26 -4.48 135.00 131.05 3kiy n PRO 122 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 3kiy n PRO 122 Cb 0.32 -0.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.66 3kiy n PRO 122 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3kiy n ASN 123 N 0.00 0.00 -0.08 3.54 0.23 -1.26 -4.12 115.26 113.57 3kiy n ASN 123 Ca 0.00 -0.90 -0.09 0.00 -0.53 0.00 0.00 54.58 53.06 3kiy n ASN 123 Cb 0.00 -0.10 -0.11 0.00 -2.08 0.00 0.00 39.78 37.49 3kiy n ASN 123 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3kiy n SER 124 N 2.83 1.75 -0.07 0.53 7.64 -1.26 -4.29 113.62 120.75 3kiy n SER 124 Ca 0.00 -0.03 -0.13 0.00 1.01 0.00 0.00 58.87 59.73 3kiy n SER 124 Cb 0.00 0.55 -0.06 0.00 -1.01 0.00 0.00 64.21 63.69 3kiy n SER 124 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 3kiy h PHE 125 N 0.00 0.57 -2.72 1.43 -5.15 -1.73 -3.40 116.94 105.94 3kiy h PHE 125 Ca -0.40 -0.16 0.00 0.00 -0.20 0.00 0.00 57.97 57.21 3kiy h PHE 125 Cb 1.82 -0.12 0.00 0.00 0.22 0.00 0.00 35.95 37.87 3kiy h PHE 125 CO 0.01 0.81 0.00 -3.47 -2.00 0.00 0.00 178.31 173.66 3kiy n ASP 126 N -4.47 0.00 0.00 -0.68 2.03 -1.26 -3.61 116.55 108.56 3kiy n ASP 126 Ca -0.05 0.74 0.00 0.00 0.52 0.00 0.00 54.79 56.00 3kiy n ASP 126 Cb 0.38 -1.11 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 3kiy n ASP 126 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kiy n GLY 127 N 1.67 0.25 3.53 0.27 0.00 -1.26 -4.55 105.19 105.10 3kiy n GLY 127 Ca 0.00 0.64 -0.31 0.00 0.00 0.00 0.00 46.02 46.34 3kiy n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kiy n ARG 128 N 0.00 0.54 -0.95 1.61 5.12 -1.24 -3.63 116.66 118.12 3kiy n ARG 128 Ca 0.00 -0.16 -0.38 0.00 -1.93 0.00 0.00 57.85 55.38 3kiy n ARG 128 Cb 0.00 -2.67 0.05 0.00 -1.16 0.00 0.00 32.46 28.68 3kiy n ARG 128 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kiy n GLY 129 N 6.23 -3.08 0.21 -0.13 0.00 -0.86 -4.72 105.19 102.86 3kiy n GLY 129 Ca 0.50 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3kiy n GLY 129 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kiy n ASN 130 N 2.63 -2.08 -4.43 1.61 4.13 -1.26 -4.89 115.26 110.97 3kiy n ASN 130 Ca -0.01 0.17 -0.33 0.00 1.68 0.00 0.00 54.58 56.08 3kiy n ASN 130 Cb 0.72 0.23 -0.14 0.00 -1.54 0.00 0.00 39.78 39.05 3kiy n ASN 130 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3kiy s TYR 131 N -2.12 2.71 -0.06 3.10 5.04 0.48 -4.22 117.35 122.28 3kiy s TYR 131 Ca 0.00 -0.33 0.06 0.00 -2.44 0.00 0.00 57.07 54.35 3kiy s TYR 131 Cb 0.00 -1.69 -0.01 0.00 0.35 0.00 0.00 41.96 40.61 3kiy s TYR 131 CO 0.00 0.05 -0.25 -0.80 -1.34 0.00 0.00 175.55 173.21 3kiy s ASN 132 N -0.38 3.10 0.01 4.32 0.01 -1.26 0.24 114.94 120.97 3kiy s ASN 132 Ca 0.04 -0.51 -0.07 0.00 -0.71 0.00 0.00 52.86 51.61 3kiy s ASN 132 Cb -0.12 -0.94 -0.00 0.00 0.41 0.00 0.00 41.25 40.60 3kiy s ASN 132 CO 0.02 0.23 0.13 -1.48 -1.51 0.00 0.00 177.10 174.49 3kiy s LEU 133 N -0.09 1.61 0.47 0.60 0.05 0.25 -4.84 118.68 116.73 3kiy s LEU 133 Ca -0.06 -0.29 0.06 0.00 0.05 0.00 0.00 54.13 53.90 3kiy s LEU 133 Cb -0.14 0.66 -0.00 0.00 -2.05 0.00 0.00 46.19 44.66 3kiy s LEU 133 CO 0.04 -0.41 0.32 -0.83 -0.55 0.00 0.00 176.35 174.93 3kiy s GLY 134 N -1.57 2.32 -0.20 -3.48 0.00 -1.26 0.65 107.32 103.79 3kiy s GLY 134 Ca -0.13 -1.64 -0.04 0.00 0.00 0.00 0.00 44.72 42.92 3kiy s GLY 134 CO 0.00 -1.88 0.27 1.08 0.00 0.00 0.00 173.10 172.58 3kiy s LEU 135 N -4.13 -0.29 0.65 0.66 1.02 -0.83 -4.93 118.68 110.83 3kiy s LEU 135 Ca 0.39 0.07 0.44 0.00 0.02 0.00 0.00 54.13 55.05 3kiy s LEU 135 Cb -0.01 0.65 2.38 0.00 0.02 0.00 0.00 46.19 49.24 3kiy s LEU 135 CO 0.23 -0.30 2.34 0.03 0.02 0.00 0.00 176.35 178.67 3kiy h ARG 136 N 8.27 0.00 0.00 1.70 2.47 -1.96 -3.04 114.38 121.82 3kiy h ARG 136 Ca -0.17 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 3kiy h ARG 136 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 3kiy h ARG 136 CO 0.25 0.00 0.00 0.39 0.56 0.00 0.00 179.97 181.17 3kiy n GLU 137 N -3.04 2.63 0.00 0.04 -0.58 -1.26 -4.13 120.64 114.30 3kiy n GLU 137 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 3kiy n GLU 137 Cb 0.07 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.94 3kiy n GLU 137 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kiy n GLN 138 N -0.09 0.00 -0.45 3.49 10.64 -1.26 -4.12 117.38 125.59 3kiy n GLN 138 Ca 0.00 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 55.15 3kiy n GLN 138 Cb 0.00 -0.33 -0.02 0.00 -0.86 0.00 0.00 30.24 29.03 3kiy n GLN 138 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 3kiy n LEU 139 N -1.39 4.11 -0.52 2.61 -0.00 -1.26 -2.90 117.00 117.65 3kiy n LEU 139 Ca 0.00 -1.98 0.06 0.00 -0.00 0.00 0.00 56.01 54.09 3kiy n LEU 139 Cb 0.00 -0.91 0.08 0.00 -0.00 0.00 0.00 43.42 42.59 3kiy n LEU 139 CO 0.00 0.85 0.49 2.30 -0.00 0.00 0.00 177.39 181.03 3kiy n ILE 140 N 1.78 0.31 -3.75 1.47 -5.35 -1.26 -4.93 119.36 107.63 3kiy n ILE 140 Ca 0.06 -0.66 -0.37 0.00 -0.27 0.00 0.00 62.75 61.51 3kiy n ILE 140 Cb 0.44 1.01 -0.12 0.00 -1.74 0.00 0.00 39.64 39.23 3kiy n ILE 140 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3kiy s PHE 141 N -0.96 3.16 0.00 4.28 0.08 -1.14 -2.72 117.98 120.67 3kiy s PHE 141 Ca 0.16 -0.16 0.00 0.00 0.12 0.00 0.00 56.93 57.05 3kiy s PHE 141 Cb 0.10 -2.25 0.00 0.00 -0.57 0.00 0.00 43.02 40.30 3kiy s PHE 141 CO 0.15 -0.20 0.00 -2.30 -0.10 0.00 0.00 175.22 172.76 3kiy n PRO 142 N 4.72 0.00 0.00 0.24 -0.01 -1.26 -1.10 135.00 137.59 3kiy n PRO 142 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.33 3kiy n PRO 142 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 34.01 3kiy n PRO 142 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 175.50 174.64 3kiy n GLU 143 N 0.00 0.00 -2.58 -0.52 0.00 -1.26 -4.53 120.64 111.75 3kiy n GLU 143 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.74 3kiy n GLU 143 Cb 0.00 -1.62 -0.03 0.00 0.00 0.00 0.00 31.44 29.79 3kiy n GLU 143 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 3kiy s ILE 144 N -1.50 4.53 0.00 3.84 1.10 -0.25 -5.03 121.20 123.88 3kiy s ILE 144 Ca 0.00 1.82 0.00 0.00 -0.51 0.00 0.00 60.65 61.96 3kiy s ILE 144 Cb 0.00 -4.17 0.00 0.00 0.15 0.00 0.00 42.46 38.44 3kiy s ILE 144 CO 0.00 0.04 0.00 1.07 -2.11 0.00 0.00 174.94 173.94 3kiy n THR 145 N 4.42 0.00 0.03 4.00 5.66 -1.26 -4.92 114.28 122.21 3kiy n THR 145 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 3kiy n THR 145 Cb 0.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 3kiy n THR 145 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kiy n TYR 146 N 0.00 -1.73 0.12 1.09 9.36 -1.26 -4.92 117.16 119.81 3kiy n TYR 146 Ca 0.00 0.20 0.02 0.00 3.32 0.00 0.00 57.90 61.44 3kiy n TYR 146 Cb 0.00 0.74 0.09 0.00 -0.63 0.00 0.00 39.34 39.54 3kiy n TYR 146 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 3kiy n ASP 147 N -2.34 0.08 -0.46 2.98 5.68 -1.26 0.11 116.55 121.34 3kiy n ASP 147 Ca 0.00 0.28 0.06 0.00 -0.50 0.00 0.00 54.79 54.63 3kiy n ASP 147 Cb 0.00 -0.15 0.05 0.00 -1.14 0.00 0.00 41.12 39.88 3kiy n ASP 147 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 3kiy n MET 148 N -1.65 0.64 -2.17 0.11 1.56 -1.26 -5.01 117.12 109.34 3kiy n MET 148 Ca -0.00 -1.18 -0.31 0.00 -0.27 0.00 0.00 57.70 55.94 3kiy n MET 148 Cb 0.55 -1.22 -0.00 0.00 2.15 0.00 0.00 33.22 34.70 3kiy n MET 148 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 3kiy s VAL 149 N -0.98 4.71 -0.07 1.12 0.11 0.31 -4.97 120.40 120.64 3kiy s VAL 149 Ca 0.14 0.81 0.08 0.00 -2.93 0.00 0.00 61.98 60.08 3kiy s VAL 149 Cb 0.10 -3.83 -0.12 0.00 -1.53 0.00 0.00 36.38 31.00 3kiy s VAL 149 CO 0.15 -0.96 0.08 -0.90 -3.33 0.00 0.00 175.10 170.13 3kiy n ASP 150 N -2.33 2.88 0.00 3.54 5.75 -1.26 -5.05 116.55 120.07 3kiy n ASP 150 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 3kiy n ASP 150 Cb 0.54 0.90 0.00 0.00 -1.03 0.00 0.00 41.12 41.53 3kiy n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kiy n ALA 151 N -2.19 0.00 -2.74 2.12 0.00 -1.26 -5.17 120.51 111.28 3kiy n ALA 151 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.02 3kiy n ALA 151 Cb 0.64 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 3kiy n ALA 151 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3kiy s LEU 152 N 0.00 4.28 -0.21 0.00 2.34 -1.26 -5.09 118.68 118.74 3kiy s LEU 152 Ca 0.00 0.50 -0.01 0.00 0.06 0.00 0.00 54.13 54.68 3kiy s LEU 152 Cb 0.00 -3.22 0.06 0.00 -0.56 0.00 0.00 46.19 42.46 3kiy s LEU 152 CO 0.00 0.07 -0.02 0.00 -1.06 0.00 0.00 176.35 175.34 3kiy s ARG 153 N -2.70 1.25 0.00 1.48 1.70 -1.26 -5.01 118.95 114.41 3kiy s ARG 153 Ca 0.39 -0.74 0.00 0.00 -0.47 0.00 0.00 55.73 54.91 3kiy s ARG 153 Cb -0.12 -2.36 0.00 0.00 -0.57 0.00 0.00 34.95 31.90 3kiy s ARG 153 CO 0.26 -0.60 0.00 0.41 -1.08 0.00 0.00 175.30 174.29 3kiy n GLY 154 N 4.83 -2.12 0.00 3.88 0.00 -1.26 -4.63 105.19 105.89 3kiy n GLY 154 Ca -0.11 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3kiy n GLY 154 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3kiy n MET 155 N 0.00 0.00 -4.66 1.61 0.00 -1.15 -4.84 117.12 108.08 3kiy n MET 155 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.37 3kiy n MET 155 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 33.22 33.09 3kiy n MET 155 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3kiy s ASP 156 N 0.00 4.32 -0.18 3.17 1.01 0.15 -1.97 116.67 123.17 3kiy s ASP 156 Ca 0.00 -0.23 0.01 0.00 0.71 0.00 0.00 52.55 53.04 3kiy s ASP 156 Cb 0.00 -1.57 0.01 0.00 1.01 0.00 0.00 42.92 42.37 3kiy s ASP 156 CO 0.00 0.20 -0.18 -0.63 0.21 0.00 0.00 175.17 174.77 3kiy s ILE 157 N 0.17 2.27 -0.22 0.77 1.01 0.21 0.71 121.20 126.13 3kiy s ILE 157 Ca -0.05 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.73 3kiy s ILE 157 Cb -0.15 -1.96 0.03 0.00 0.01 0.00 0.00 42.46 40.39 3kiy s ILE 157 CO 0.04 0.52 -0.13 0.00 0.00 0.00 0.00 174.94 175.37 3kiy s ALA 158 N 1.22 2.51 -0.28 9.38 0.00 -0.77 0.85 121.76 134.67 3kiy s ALA 158 Ca 0.03 -1.38 -0.10 0.00 0.00 0.00 0.00 51.96 50.50 3kiy s ALA 158 Cb -0.14 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 3kiy s ALA 158 CO -0.09 -0.64 0.16 0.54 0.00 0.00 0.00 175.76 175.73 3kiy s VAL 159 N 1.28 5.04 0.51 0.00 0.11 0.14 -0.46 120.40 127.00 3kiy s VAL 159 Ca 0.01 0.02 -0.01 0.00 -2.93 0.00 0.00 61.98 59.07 3kiy s VAL 159 Cb -0.15 -3.42 0.01 0.00 -1.53 0.00 0.00 36.38 31.29 3kiy s VAL 159 CO -0.08 0.24 0.75 -0.69 -3.33 0.00 0.00 175.10 171.98 3kiy s VAL 160 N 1.71 3.61 0.11 2.04 1.01 0.11 -0.39 120.40 128.61 3kiy s VAL 160 Ca 0.07 -0.42 -0.22 0.00 0.00 0.00 0.00 61.98 61.41 3kiy s VAL 160 Cb -0.16 -3.37 0.06 0.00 0.00 0.00 0.00 36.38 32.91 3kiy s VAL 160 CO 0.09 -0.29 0.54 -0.89 0.00 0.00 0.00 175.10 174.55 3kiy s THR 161 N -2.71 0.02 0.17 3.92 2.01 -1.26 -3.88 115.64 113.92 3kiy s THR 161 Ca 0.52 -0.20 0.13 0.00 0.31 0.00 0.00 61.69 62.44 3kiy s THR 161 Cb -0.10 -1.03 0.00 0.00 0.01 0.00 0.00 72.50 71.38 3kiy s THR 161 CO 0.40 -0.11 1.58 0.74 -0.69 0.00 0.00 174.62 176.54 3kiy h THR 162 N 2.37 1.25 -3.20 -0.82 2.02 -1.93 -3.45 112.91 109.16 3kiy h THR 162 Ca -0.33 -2.15 -0.53 0.00 0.77 0.00 0.00 66.41 64.18 3kiy h THR 162 Cb 1.26 2.22 0.02 0.00 -1.74 0.00 0.00 68.15 69.90 3kiy h THR 162 CO 0.41 0.58 0.63 0.00 0.37 0.00 0.00 175.52 177.51 3kiy s ALA 163 N -3.40 3.48 0.00 6.16 0.00 -1.26 -4.96 121.76 121.79 3kiy s ALA 163 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 51.96 52.95 3kiy s ALA 163 Cb 0.11 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3kiy s ALA 163 CO 0.75 -0.50 0.18 0.39 0.00 0.00 0.00 175.76 176.58 3kiy n GLU 164 N 3.53 0.00 -1.73 0.00 4.71 -1.26 -4.33 120.64 121.56 3kiy n GLU 164 Ca 0.09 0.40 -0.42 0.00 -0.01 0.00 0.00 57.16 57.21 3kiy n GLU 164 Cb 0.44 -1.00 -0.03 0.00 -1.01 0.00 0.00 31.44 29.85 3kiy n GLU 164 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 3kiy s THR 165 N -1.15 2.95 0.66 2.62 -4.23 -1.26 -2.02 115.64 113.21 3kiy s THR 165 Ca 0.00 0.12 0.30 0.00 -1.18 0.00 0.00 61.69 60.93 3kiy s THR 165 Cb 0.00 -3.08 0.30 0.00 1.34 0.00 0.00 72.50 71.06 3kiy s THR 165 CO 0.00 -0.01 1.91 -2.24 -0.54 0.00 0.00 174.62 173.74 3kiy h ASP 166 N 9.85 0.00 0.00 3.99 2.03 -1.86 -2.59 116.42 127.84 3kiy h ASP 166 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 3kiy h ASP 166 Cb 1.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 3kiy h ASP 166 CO 0.94 0.00 0.00 1.21 -1.03 0.00 0.00 179.24 180.36 3kiy n GLU 167 N -2.91 0.00 0.11 4.15 4.07 -1.26 0.94 120.64 125.74 3kiy n GLU 167 Ca -0.02 0.66 -0.16 0.00 -0.06 0.00 0.00 57.16 57.59 3kiy n GLU 167 Cb 0.39 -1.41 -0.09 0.00 -0.06 0.00 0.00 31.44 30.28 3kiy n GLU 167 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3kiy h GLU 168 N 0.00 -0.69 -0.88 5.31 5.08 -1.86 -0.18 114.58 121.36 3kiy h GLU 168 Ca 0.00 0.05 0.19 0.00 -1.00 0.00 0.00 59.36 58.60 3kiy h GLU 168 Cb 0.00 0.16 -0.17 0.00 0.50 0.00 0.00 28.75 29.24 3kiy h GLU 168 CO 0.00 -0.46 -0.16 0.00 -1.00 0.00 0.00 179.01 177.39 3kiy n ALA 169 N -2.90 0.27 -0.18 3.43 0.00 -1.12 0.15 120.51 120.17 3kiy n ALA 169 Ca -0.08 0.96 -0.04 0.00 0.00 0.00 0.00 53.44 54.29 3kiy n ALA 169 Cb 0.40 -0.61 0.06 0.00 0.00 0.00 0.00 19.45 19.30 3kiy n ALA 169 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3kiy h ARG 170 N 0.00 0.53 0.54 0.00 2.43 0.24 0.21 114.38 118.33 3kiy h ARG 170 Ca 0.45 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.57 3kiy h ARG 170 Cb 0.76 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3kiy h ARG 170 CO -0.89 0.35 -0.36 0.00 -1.51 0.00 0.00 179.97 177.56 3kiy h ALA 171 N 1.29 -1.15 -0.52 2.80 0.00 0.22 0.37 119.26 122.27 3kiy h ALA 171 Ca 0.24 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 55.13 3kiy h ALA 171 Cb 0.14 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3kiy h ALA 171 CO -0.16 -1.13 0.68 1.25 0.00 0.00 0.00 179.25 179.89 3kiy h LEU 172 N -0.85 0.00 0.00 0.00 6.46 -0.73 0.95 115.31 121.14 3kiy h LEU 172 Ca -0.07 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.62 3kiy h LEU 172 Cb 0.69 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 3kiy h LEU 172 CO 0.06 0.00 -0.61 -0.07 -0.62 0.00 0.00 178.44 177.19 3kiy h LEU 173 N 0.00 0.00 -1.04 2.25 3.38 -0.11 -3.36 115.31 116.43 3kiy h LEU 173 Ca 0.25 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3kiy h LEU 173 Cb 1.60 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.32 3kiy h LEU 173 CO -0.00 0.94 0.23 -0.08 0.09 0.00 0.00 178.44 179.62 3kiy h GLU 174 N -1.00 0.92 0.00 1.13 4.81 0.21 -1.24 114.58 119.42 3kiy h GLU 174 Ca -0.10 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3kiy h GLU 174 Cb 0.69 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3kiy h GLU 174 CO -0.06 0.77 0.00 1.28 -0.73 0.00 0.00 179.01 180.27 3kiy n LEU 175 N -4.30 0.00 -0.05 1.64 4.77 0.28 -0.33 117.00 119.02 3kiy n LEU 175 Ca 0.05 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.07 3kiy n LEU 175 Cb 0.18 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 3kiy n LEU 175 CO 0.39 0.00 0.03 0.18 -1.33 0.00 0.00 177.39 176.67 3kiy n LEU 176 N -0.87 0.55 -0.03 2.23 4.77 -0.47 -4.70 117.00 118.48 3kiy n LEU 176 Ca 0.04 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 3kiy n LEU 176 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3kiy n LEU 176 CO 0.03 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 3kiy n GLY 177 N 1.10 0.57 3.40 -0.72 0.00 0.55 -5.00 105.19 105.08 3kiy n GLY 177 Ca 0.02 -0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3kiy n GLY 177 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kiy s PHE 178 N -1.18 3.17 0.00 1.61 0.40 -1.22 -4.86 117.98 115.91 3kiy s PHE 178 Ca 0.00 -0.86 -0.08 0.00 -0.60 0.00 0.00 56.93 55.39 3kiy s PHE 178 Cb 0.00 -3.39 -0.10 0.00 0.51 0.00 0.00 43.02 40.04 3kiy s PHE 178 CO 0.00 -0.92 0.80 -0.35 0.70 0.00 0.00 175.22 175.45 3kiy n PRO 179 N 5.55 0.00 -2.04 0.24 -0.04 -1.26 -4.73 135.00 132.72 3kiy n PRO 179 Ca -0.11 -0.39 -0.42 0.00 -0.04 0.00 0.00 63.50 62.54 3kiy n PRO 179 Cb 0.44 -1.65 -0.03 0.00 -0.04 0.00 0.00 33.50 32.22 3kiy n PRO 179 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3kiy s PHE 180 N 4.09 2.16 -1.29 0.54 2.99 -1.26 0.35 117.98 125.55 3kiy s PHE 180 Ca 0.18 0.31 -0.12 0.00 0.00 0.00 0.00 56.93 57.30 3kiy s PHE 180 Cb 0.04 -3.87 -0.05 0.00 0.00 0.00 0.00 43.02 39.14 3kiy s PHE 180 CO 0.09 -3.59 2.39 -2.13 -0.00 0.00 0.00 175.22 171.98 3kiy n ARG 181 N 6.77 2.75 0.00 0.44 0.63 -0.46 -4.63 116.66 122.16 3kiy n ARG 181 Ca 0.16 -2.13 0.00 0.00 -0.92 0.00 0.00 57.85 54.97 3kiy n ARG 181 Cb 0.43 -2.91 0.00 0.00 0.45 0.00 0.00 32.46 30.43 3kiy n ARG 181 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75