#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hcb n SER 25 N 0.00 0.00 0.14 0.00 3.41 -1.26 -2.64 113.62 113.27 3hcb n SER 25 Ca 0.00 -0.80 -0.00 0.00 -0.26 0.00 0.00 58.87 57.80 3hcb n SER 25 Cb 0.00 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.19 3hcb n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hcb h ALA 26 N 3.47 1.14 0.00 7.33 0.00 -2.04 -2.98 119.26 126.18 3hcb h ALA 26 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3hcb h ALA 26 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hcb h ALA 26 CO 0.00 0.63 0.00 0.66 0.00 0.00 0.00 179.25 180.54 3hcb n TYR 27 N -3.95 0.00 0.25 0.00 4.02 -1.08 -2.30 117.16 114.10 3hcb n TYR 27 Ca -0.02 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.99 3hcb n TYR 27 Cb 0.52 0.00 0.13 0.00 -0.02 0.00 0.00 39.34 39.96 3hcb n TYR 27 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3hcb h GLN 28 N 0.00 0.00 -0.01 -0.72 1.08 -1.76 -3.21 115.11 110.48 3hcb h GLN 28 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3hcb h GLN 28 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3hcb h GLN 28 CO 0.00 0.00 -0.46 0.54 -0.95 0.00 0.00 178.83 177.96 3hcb n ARG 29 N -2.76 1.30 -1.54 1.46 1.74 -0.97 -4.97 116.66 110.92 3hcb n ARG 29 Ca 0.03 -0.91 -0.53 0.00 -0.77 0.00 0.00 57.85 55.67 3hcb n ARG 29 Cb 0.52 -1.43 -0.07 0.00 -1.02 0.00 0.00 32.46 30.46 3hcb n ARG 29 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hcb n PHE 30 N -0.11 1.80 -3.42 -1.55 7.35 -1.22 -3.87 117.46 116.44 3hcb n PHE 30 Ca 0.08 0.33 -0.43 0.00 -0.76 0.00 0.00 57.45 56.67 3hcb n PHE 30 Cb 0.43 -2.52 -0.10 0.00 0.35 0.00 0.00 39.48 37.64 3hcb n PHE 30 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3hcb s GLU 31 N 5.23 3.00 0.20 -4.13 2.02 -0.27 -4.99 118.70 119.76 3hcb s GLU 31 Ca 1.05 -0.97 -0.11 0.00 0.02 0.00 0.00 54.97 54.96 3hcb s GLU 31 Cb -0.92 -3.98 0.26 0.00 0.10 0.00 0.00 34.13 29.59 3hcb s GLU 31 CO 0.55 -0.79 1.71 -1.35 0.02 0.00 0.00 175.26 175.39 3hcb h PRO 32 N 8.66 0.24 0.01 0.39 0.11 -1.92 -0.71 132.00 138.79 3hcb h PRO 32 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3hcb h PRO 32 Cb 1.12 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3hcb h PRO 32 CO 0.75 0.16 -0.03 0.00 -0.21 0.00 0.00 178.00 178.67 3hcb h ARG 33 N 0.25 -0.06 -0.95 1.05 2.47 -1.96 -0.33 114.38 114.85 3hcb h ARG 33 Ca 0.29 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 59.06 3hcb h ARG 33 Cb 0.43 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.71 3hcb h ARG 33 CO -0.38 -0.04 0.62 0.00 0.56 0.00 0.00 179.97 180.73 3hcb h ALA 34 N 0.92 1.39 -0.14 0.04 0.00 -1.76 0.14 119.26 119.85 3hcb h ALA 34 Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3hcb h ALA 34 Cb 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3hcb h ALA 34 CO -0.02 0.52 0.01 -0.92 0.00 0.00 0.00 179.25 178.84 3hcb h TYR 35 N 1.20 0.26 -0.26 0.00 3.20 -0.81 0.14 116.97 120.70 3hcb h TYR 35 Ca 0.38 -0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.26 3hcb h TYR 35 Cb 0.01 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 3hcb h TYR 35 CO -0.00 0.45 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.81 3hcb h LEU 36 N -0.00 -0.31 -0.68 2.82 3.38 -0.59 -1.85 115.31 118.07 3hcb h LEU 36 Ca 0.04 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.20 3hcb h LEU 36 Cb 0.34 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.20 3hcb h LEU 36 CO 0.01 -0.12 0.29 -0.09 0.09 0.00 0.00 178.44 178.62 3hcb h ARG 37 N -0.04 0.47 0.00 1.13 2.43 -0.60 0.40 114.38 118.18 3hcb h ARG 37 Ca 0.13 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 3hcb h ARG 37 Cb 0.24 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3hcb h ARG 37 CO -0.29 0.31 -0.41 -0.91 -1.51 0.00 0.00 179.97 177.16 3hcb h ASN 38 N 0.49 0.00 0.00 -3.80 2.35 -0.31 -3.29 115.58 111.02 3hcb h ASN 38 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 3hcb h ASN 38 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3hcb h ASN 38 CO -0.32 0.41 -0.59 0.59 -1.65 0.00 0.00 177.43 175.87 3hcb n ASN 39 N -3.73 2.96 0.00 5.81 3.02 -0.76 -4.83 115.26 117.74 3hcb n ASN 39 Ca -0.01 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 3hcb n ASN 39 Cb 0.49 0.85 0.00 0.00 -0.61 0.00 0.00 39.78 40.50 3hcb n ASN 39 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3hcb n TYR 40 N -1.14 0.00 -3.75 3.10 4.02 0.14 -4.12 117.16 115.41 3hcb n TYR 40 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.68 3hcb n TYR 40 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 3hcb n TYR 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hcb s ALA 41 N -0.11 3.94 0.50 -0.72 0.00 -1.10 -4.24 121.76 120.02 3hcb s ALA 41 Ca 0.00 -1.56 -0.23 0.00 0.00 0.00 0.00 51.96 50.18 3hcb s ALA 41 Cb 0.00 -1.36 -0.07 0.00 0.00 0.00 0.00 23.12 21.69 3hcb s ALA 41 CO 0.00 0.03 1.18 -2.30 0.00 0.00 0.00 175.76 174.67 3hcb n PRO 42 N -1.44 1.53 0.17 0.00 -0.02 -1.26 -1.06 135.00 132.92 3hcb n PRO 42 Ca -0.02 0.56 0.10 0.00 -2.02 0.00 0.00 63.50 62.11 3hcb n PRO 42 Cb 0.59 -2.33 0.10 0.00 -0.02 0.00 0.00 33.50 31.84 3hcb n PRO 42 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3hcb h PRO 43 N 1.44 0.00 0.00 0.52 0.13 -1.94 -3.44 132.00 128.72 3hcb h PRO 43 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 3hcb h PRO 43 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 3hcb h PRO 43 CO 0.56 0.09 -0.23 0.00 -0.23 0.00 0.00 178.00 178.19 3hcb h ARG 44 N 0.00 0.00 -0.55 0.86 3.08 -1.82 -2.72 114.38 113.23 3hcb h ARG 44 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3hcb h ARG 44 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3hcb h ARG 44 CO 0.01 0.23 0.00 0.41 -1.07 0.00 0.00 179.97 179.55 3hcb n GLY 45 N 0.22 1.71 3.56 0.04 0.00 -0.23 -4.12 105.19 106.37 3hcb n GLY 45 Ca 0.00 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 3hcb n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hcb s ASP 46 N -1.08 6.16 0.00 1.61 1.01 -1.03 -4.58 116.67 118.76 3hcb s ASP 46 Ca 0.39 -0.25 0.31 0.00 0.71 0.00 0.00 52.55 53.72 3hcb s ASP 46 Cb 0.21 -2.56 1.65 0.00 1.01 0.00 0.00 42.92 43.23 3hcb s ASP 46 CO 0.28 -1.79 2.11 0.18 0.21 0.00 0.00 175.17 176.15 3hcb n LEU 47 N 9.40 0.07 -0.13 1.23 4.77 -1.26 -4.02 117.00 127.06 3hcb n LEU 47 Ca 0.06 0.13 -0.11 0.00 -0.03 0.00 0.00 56.01 56.05 3hcb n LEU 47 Cb 0.49 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 3hcb n LEU 47 CO 0.71 0.01 0.71 0.00 -1.33 0.00 0.00 177.39 177.49 3hcb s ASN 49 N -6.38 6.96 0.13 0.00 3.84 -1.26 -4.92 114.94 113.32 3hcb s ASN 49 Ca -0.13 1.17 0.18 0.00 0.21 0.00 0.00 52.86 54.29 3hcb s ASN 49 Cb 0.10 -2.50 0.78 0.00 -0.55 0.00 0.00 41.25 39.08 3hcb s ASN 49 CO 0.82 -0.65 1.56 -0.81 -2.79 0.00 0.00 177.10 175.22 3hcb n PRO 50 N 6.31 0.09 -0.06 0.43 -0.04 -1.26 -2.01 135.00 138.46 3hcb n PRO 50 Ca 0.09 0.36 0.10 0.00 -0.04 0.00 0.00 63.50 64.01 3hcb n PRO 50 Cb 0.47 -1.69 0.42 0.00 -0.04 0.00 0.00 33.50 32.66 3hcb n PRO 50 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hcb n ASN 51 N -1.86 1.19 -4.96 3.54 3.02 -1.26 -4.54 115.26 110.38 3hcb n ASN 51 Ca 0.02 -1.63 -0.23 0.00 -0.03 0.00 0.00 54.58 52.72 3hcb n ASN 51 Cb 0.18 -0.08 0.05 0.00 -0.61 0.00 0.00 39.78 39.33 3hcb n ASN 51 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3hcb s GLY 52 N -1.56 1.78 0.18 7.41 0.00 -0.85 -4.97 107.32 109.29 3hcb s GLY 52 Ca 0.31 -1.18 -0.06 0.00 0.00 0.00 0.00 44.72 43.79 3hcb s GLY 52 CO 0.25 -0.85 1.50 -0.24 0.00 0.00 0.00 173.10 173.75 3hcb h VAL 53 N -0.18 1.30 0.14 1.40 3.04 -1.89 -2.65 116.25 117.41 3hcb h VAL 53 Ca -0.43 -1.70 0.02 0.00 -1.01 0.00 0.00 66.70 63.58 3hcb h VAL 53 Cb 1.30 1.63 -0.04 0.00 -2.01 0.00 0.00 31.29 32.18 3hcb h VAL 53 CO 0.55 0.54 -0.35 1.23 -1.01 0.00 0.00 177.57 178.53 3hcb h GLY 54 N 0.93 -0.70 0.97 3.17 0.00 -1.89 0.69 103.07 106.25 3hcb h GLY 54 Ca 0.02 0.42 0.01 0.00 0.00 0.00 0.00 47.33 47.79 3hcb h GLY 54 CO 0.10 -0.26 0.43 -2.55 0.00 0.00 0.00 176.54 174.27 3hcb h PRO 55 N -0.60 0.85 -0.27 4.80 0.11 -1.85 -2.06 132.00 132.99 3hcb h PRO 55 Ca 0.02 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.13 3hcb h PRO 55 Cb 0.62 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.49 3hcb h PRO 55 CO -0.20 0.56 0.02 2.35 -0.21 0.00 0.00 178.00 180.53 3hcb h TRP 56 N 0.88 0.02 0.11 0.65 7.01 -1.15 0.13 115.95 123.59 3hcb h TRP 56 Ca 0.25 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.27 3hcb h TRP 56 Cb -0.07 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.01 3hcb h TRP 56 CO -0.03 -0.02 -0.11 0.87 -2.79 0.00 0.00 178.44 176.36 3hcb h LYS 57 N 0.11 -0.23 -0.47 2.65 1.57 -0.64 -1.52 116.57 118.04 3hcb h LYS 57 Ca 0.13 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3hcb h LYS 57 Cb 0.16 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3hcb h LYS 57 CO -0.20 -0.15 0.29 -0.07 -0.57 0.00 0.00 179.45 178.74 3hcb h LEU 58 N -0.24 0.55 -0.20 2.94 3.38 -1.22 -2.12 115.31 118.40 3hcb h LEU 58 Ca 0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3hcb h LEU 58 Cb 0.23 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3hcb h LEU 58 CO -0.03 0.42 0.02 -0.09 0.09 0.00 0.00 178.44 178.84 3hcb h ARG 59 N 0.64 0.34 -0.42 1.13 2.43 -0.56 0.19 114.38 118.12 3hcb h ARG 59 Ca 0.17 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3hcb h ARG 59 Cb -0.04 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3hcb h ARG 59 CO -0.03 0.51 0.25 0.00 -1.51 0.00 0.00 179.97 179.19 3hcb h LEU 61 N 0.51 -0.88 -0.25 0.00 3.38 -1.30 -2.04 115.31 114.73 3hcb h LEU 61 Ca 0.17 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.21 3hcb h LEU 61 Cb 0.00 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3hcb h LEU 61 CO -0.07 -0.62 0.01 0.00 0.09 0.00 0.00 178.44 177.85 3hcb h ALA 62 N -0.75 0.22 -0.65 1.53 0.00 -0.42 -2.39 119.26 116.80 3hcb h ALA 62 Ca -0.10 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hcb h ALA 62 Cb 0.78 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3hcb h ALA 62 CO 0.16 -0.41 0.42 1.96 0.00 0.00 0.00 179.25 181.37 3hcb h GLN 63 N 0.08 0.87 0.23 0.00 4.20 -0.70 -1.34 115.11 118.46 3hcb h GLN 63 Ca 0.12 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 3hcb h GLN 63 Cb 0.15 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3hcb h GLN 63 CO -0.19 0.59 -0.11 1.15 -0.67 0.00 0.00 178.83 179.60 3hcb h THR 64 N 0.89 0.82 -0.11 -0.54 2.02 -0.87 -3.02 112.91 112.09 3hcb h THR 64 Ca 0.24 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 3hcb h THR 64 Cb -0.07 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3hcb h THR 64 CO -0.05 0.15 0.01 -0.26 0.37 0.00 0.00 175.52 175.74 3hcb h PHE 65 N -0.71 0.15 0.00 3.16 -1.00 -1.41 -2.28 116.94 114.86 3hcb h PHE 65 Ca -0.03 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.74 3hcb h PHE 65 Cb 0.49 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 40.00 3hcb h PHE 65 CO 0.04 0.16 -0.03 0.00 -1.61 0.00 0.00 178.31 176.87 3hcb h ALA 66 N 1.86 1.07 0.00 2.45 0.00 -1.12 -1.36 119.26 122.15 3hcb h ALA 66 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hcb h ALA 66 Cb 0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hcb h ALA 66 CO -0.00 0.04 -0.03 1.79 0.00 0.00 0.00 179.25 181.05 3hcb h THR 67 N 0.00 0.12 -0.10 0.00 1.35 -1.32 -3.46 112.91 109.50 3hcb h THR 67 Ca -0.00 -0.37 -0.04 0.00 -0.55 0.00 0.00 66.41 65.44 3hcb h THR 67 Cb 0.27 1.33 -0.02 0.00 -1.73 0.00 0.00 68.15 68.00 3hcb h THR 67 CO 0.00 0.03 -0.04 0.61 -0.25 0.00 0.00 175.52 175.87 3hcb n GLY 68 N -0.45 0.56 0.00 5.82 0.00 -0.51 -4.91 105.19 105.69 3hcb n GLY 68 Ca -0.01 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.58 3hcb n GLY 68 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hcb n GLU 69 N -2.63 1.40 -3.40 1.61 1.02 -1.26 -4.72 120.64 112.65 3hcb n GLU 69 Ca -0.02 -0.02 -0.45 0.00 -0.02 0.00 0.00 57.16 56.65 3hcb n GLU 69 Cb 0.11 -1.30 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 3hcb n GLU 69 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hcb s VAL 70 N -2.64 5.25 0.04 2.62 1.01 -1.26 -5.03 120.40 120.39 3hcb s VAL 70 Ca 0.05 -2.56 0.01 0.00 0.00 0.00 0.00 61.98 59.47 3hcb s VAL 70 Cb 0.12 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 3hcb s VAL 70 CO 0.69 -1.00 -0.05 -0.94 0.00 0.00 0.00 175.10 173.80 3hcb s SER 71 N 1.88 0.55 0.00 3.32 1.04 -1.26 -4.97 113.70 114.26 3hcb s SER 71 Ca 0.18 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.00 3hcb s SER 71 Cb -0.12 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.09 3hcb s SER 71 CO -0.08 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.44 3hcb n GLY 72 N 1.27 -1.14 0.10 7.32 0.00 -1.24 -4.92 105.19 106.59 3hcb n GLY 72 Ca -0.22 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 3hcb n GLY 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hcb n ARG 73 N 0.00 0.73 -4.40 1.61 0.63 -1.26 -4.33 116.66 109.64 3hcb n ARG 73 Ca 0.00 0.09 -0.28 0.00 -0.92 0.00 0.00 57.85 56.74 3hcb n ARG 73 Cb 0.00 -1.45 -0.12 0.00 0.45 0.00 0.00 32.46 31.34 3hcb n ARG 73 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3hcb s THR 74 N -2.44 2.28 -0.14 5.15 -4.23 -1.26 -0.96 115.64 114.04 3hcb s THR 74 Ca -0.24 -1.87 -0.16 0.00 -1.18 0.00 0.00 61.69 58.23 3hcb s THR 74 Cb 0.07 -2.04 0.04 0.00 1.34 0.00 0.00 72.50 71.91 3hcb s THR 74 CO 0.58 -0.00 0.44 -0.22 -0.54 0.00 0.00 174.62 174.87 3hcb s LEU 75 N -2.32 0.33 -0.04 4.79 0.20 -0.53 -1.78 118.68 119.34 3hcb s LEU 75 Ca 0.17 0.76 0.06 0.00 0.69 0.00 0.00 54.13 55.81 3hcb s LEU 75 Cb -0.09 1.54 -0.01 0.00 -0.43 0.00 0.00 46.19 47.20 3hcb s LEU 75 CO 0.08 -0.23 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.07 3hcb s ILE 76 N -0.09 1.72 -0.29 6.68 1.01 -0.92 -1.14 121.20 128.18 3hcb s ILE 76 Ca -0.03 -0.90 -0.10 0.00 0.00 0.00 0.00 60.65 59.62 3hcb s ILE 76 Cb -0.03 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 3hcb s ILE 76 CO 0.02 0.49 0.15 -0.62 0.00 0.00 0.00 174.94 174.98 3hcb s ASP 77 N -0.24 5.67 -0.37 3.58 2.15 0.85 -1.16 116.67 127.16 3hcb s ASP 77 Ca 0.01 -0.23 -0.20 0.00 0.43 0.00 0.00 52.55 52.57 3hcb s ASP 77 Cb -0.11 -2.04 0.01 0.00 -0.30 0.00 0.00 42.92 40.48 3hcb s ASP 77 CO 0.01 -0.10 0.61 -0.63 -0.17 0.00 0.00 175.17 174.89 3hcb s ILE 78 N 1.68 4.91 -0.67 4.11 -1.09 0.12 -2.09 121.20 128.17 3hcb s ILE 78 Ca 0.06 0.43 -0.00 0.00 -2.23 0.00 0.00 60.65 58.91 3hcb s ILE 78 Cb -0.16 -4.08 -0.00 0.00 -1.58 0.00 0.00 42.46 36.64 3hcb s ILE 78 CO 0.08 -0.35 0.56 0.61 -1.23 0.00 0.00 174.94 174.61 3hcb n GLY 79 N 4.77 -0.04 0.39 6.18 0.00 -1.16 -4.28 105.19 111.04 3hcb n GLY 79 Ca -0.02 -0.11 0.21 0.00 0.00 0.00 0.00 46.02 46.09 3hcb n GLY 79 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hcb h SER 80 N -1.03 0.00 0.00 1.61 0.02 0.20 -3.45 113.55 110.90 3hcb h SER 80 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3hcb h SER 80 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 3hcb h SER 80 CO 0.28 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.58 3hcb n GLY 81 N -1.62 0.94 2.06 -3.77 0.00 -1.26 -2.82 105.19 98.73 3hcb n GLY 81 Ca 0.10 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 3hcb n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hcb n PRO 82 N 0.54 2.11 -4.31 1.61 -0.04 -1.26 -4.68 135.00 128.96 3hcb n PRO 82 Ca 0.00 -2.57 -0.25 0.00 -0.04 0.00 0.00 63.50 60.64 3hcb n PRO 82 Cb 0.00 -2.01 -0.13 0.00 -0.04 0.00 0.00 33.50 31.33 3hcb n PRO 82 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3hcb s THR 83 N -2.97 1.80 0.00 0.52 -4.23 -1.13 -4.79 115.64 104.84 3hcb s THR 83 Ca 0.49 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 3hcb s THR 83 Cb 0.41 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.62 3hcb s THR 83 CO 0.08 -0.03 0.00 1.33 -0.54 0.00 0.00 174.62 175.45 3hcb n VAL 84 N 1.06 0.00 -0.11 2.29 0.24 -1.26 -4.78 118.33 115.78 3hcb n VAL 84 Ca -0.19 -0.37 0.22 0.00 -2.04 0.00 0.00 64.34 61.96 3hcb n VAL 84 Cb 0.53 0.98 0.66 0.00 -1.47 0.00 0.00 33.84 34.55 3hcb n VAL 84 CO 0.00 0.00 0.00 0.10 -2.14 0.00 0.00 176.83 174.79 3hcb h TYR 85 N 0.00 0.13 0.00 6.34 -0.00 -1.96 -0.72 116.97 120.76 3hcb h TYR 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3hcb h TYR 85 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 36.73 36.69 3hcb h TYR 85 CO 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 178.16 178.20 3hcb n GLN 86 N -4.37 0.18 0.00 0.10 0.00 -1.26 -2.36 117.38 109.67 3hcb n GLN 86 Ca 0.14 0.16 0.04 0.00 0.00 0.00 0.00 57.00 57.34 3hcb n GLN 86 Cb 0.73 -1.50 0.03 0.00 0.00 0.00 0.00 30.24 29.50 3hcb n GLN 86 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3hcb n LEU 87 N -1.33 1.51 0.06 2.61 4.77 -0.28 -4.73 117.00 119.62 3hcb n LEU 87 Ca 0.07 -0.96 -0.11 0.00 -0.03 0.00 0.00 56.01 54.97 3hcb n LEU 87 Cb 0.13 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 3hcb n LEU 87 CO 0.12 0.31 0.79 -0.07 -1.33 0.00 0.00 177.39 177.21 3hcb h LEU 88 N 1.34 -0.30 -0.30 2.23 3.38 -1.53 -0.04 115.31 120.08 3hcb h LEU 88 Ca 0.00 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3hcb h LEU 88 Cb 0.30 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3hcb h LEU 88 CO 0.00 -0.15 -0.39 0.28 0.09 0.00 0.00 178.44 178.27 3hcb h SER 89 N -0.19 0.00 0.04 -0.43 0.02 -1.87 -3.31 113.55 107.81 3hcb h SER 89 Ca 0.04 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.79 3hcb h SER 89 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3hcb h SER 89 CO -0.10 0.39 -0.72 0.00 -1.14 0.00 0.00 176.83 175.25 3hcb h ALA 90 N 1.61 0.48 -0.07 3.77 0.00 -1.70 -3.34 119.26 120.00 3hcb h ALA 90 Ca -0.00 -0.59 0.02 0.00 0.00 0.00 0.00 54.91 54.34 3hcb h ALA 90 Cb 1.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3hcb h ALA 90 CO 0.05 0.72 0.12 0.00 0.00 0.00 0.00 179.25 180.13 3hcb n SER 92 N -3.57 0.81 -0.03 0.00 3.41 -1.26 -3.65 113.62 109.35 3hcb n SER 92 Ca -0.01 -1.49 0.01 0.00 -0.26 0.00 0.00 58.87 57.12 3hcb n SER 92 Cb 0.21 -0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.11 3hcb n SER 92 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3hcb n HIS 93 N -0.28 0.00 -3.73 7.33 8.25 -0.17 -4.99 115.22 121.63 3hcb n HIS 93 Ca 0.17 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.46 3hcb n HIS 93 Cb 0.21 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.15 3hcb n HIS 93 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hcb s PHE 94 N -0.94 -0.01 -0.19 4.41 0.40 -1.23 -3.64 117.98 116.77 3hcb s PHE 94 Ca 0.01 0.26 0.16 0.00 -0.60 0.00 0.00 56.93 56.77 3hcb s PHE 94 Cb 0.02 -0.28 0.06 0.00 0.51 0.00 0.00 43.02 43.33 3hcb s PHE 94 CO 0.07 -0.14 1.35 1.05 0.70 0.00 0.00 175.22 178.25 3hcb h GLU 95 N 7.66 0.00 -4.91 0.44 4.11 -1.70 -3.43 114.58 116.75 3hcb h GLU 95 Ca -0.34 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.41 3hcb h GLU 95 Cb 1.12 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.05 3hcb h GLU 95 CO 0.36 0.40 -0.76 0.34 0.07 0.00 0.00 179.01 179.42 3hcb s ASP 96 N -6.28 4.23 -0.11 3.06 2.15 -0.14 -4.61 116.67 114.97 3hcb s ASP 96 Ca 0.03 -0.90 0.03 0.00 0.43 0.00 0.00 52.55 52.14 3hcb s ASP 96 Cb 0.08 -1.64 0.01 0.00 -0.30 0.00 0.00 42.92 41.06 3hcb s ASP 96 CO 0.75 -0.12 -0.21 -0.63 -0.17 0.00 0.00 175.17 174.78 3hcb s ILE 97 N 1.30 1.91 -0.16 4.11 1.01 0.19 -1.45 121.20 128.12 3hcb s ILE 97 Ca -0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.70 3hcb s ILE 97 Cb -0.17 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 3hcb s ILE 97 CO -0.05 0.53 -0.06 -0.89 0.00 0.00 0.00 174.94 174.46 3hcb s THR 98 N 0.59 3.62 0.02 2.92 2.01 -0.29 -1.14 115.64 123.37 3hcb s THR 98 Ca -0.14 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.44 3hcb s THR 98 Cb -0.17 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 3hcb s THR 98 CO 0.04 0.49 0.01 -0.04 -0.69 0.00 0.00 174.62 174.43 3hcb s MET 99 N 0.51 2.76 0.06 4.92 -1.94 -0.49 -0.10 119.30 125.01 3hcb s MET 99 Ca -0.05 -0.66 0.02 0.00 -1.71 0.00 0.00 55.69 53.29 3hcb s MET 99 Cb -0.15 -2.66 -0.03 0.00 2.01 0.00 0.00 34.83 34.00 3hcb s MET 99 CO 0.03 0.60 -0.07 0.95 -0.01 0.00 0.00 175.02 176.53 3hcb s THR 100 N -1.16 0.52 -0.16 2.05 -4.23 -0.89 -0.32 115.64 111.45 3hcb s THR 100 Ca 0.22 -1.36 -0.29 0.00 -1.18 0.00 0.00 61.69 59.07 3hcb s THR 100 Cb -0.12 -0.95 0.11 0.00 1.34 0.00 0.00 72.50 72.88 3hcb s THR 100 CO 0.13 -0.58 0.92 -0.62 -0.54 0.00 0.00 174.62 173.94 3hcb s ASP 101 N -2.09 -0.46 0.21 3.99 2.15 -0.73 0.78 116.67 120.53 3hcb s ASP 101 Ca -0.03 0.58 -0.09 0.00 0.43 0.00 0.00 52.55 53.44 3hcb s ASP 101 Cb -0.04 0.48 0.16 0.00 -0.30 0.00 0.00 42.92 43.22 3hcb s ASP 101 CO -0.02 -0.37 1.82 0.15 -0.17 0.00 0.00 175.17 176.59 3hcb h PHE 102 N 2.99 1.10 -3.36 -5.34 3.57 -1.87 -3.22 116.94 110.80 3hcb h PHE 102 Ca -0.22 -0.03 -0.55 0.00 3.53 0.00 0.00 57.97 60.69 3hcb h PHE 102 Cb 1.16 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 39.51 3hcb h PHE 102 CO 0.32 0.78 0.06 -0.51 -2.23 0.00 0.00 178.31 176.73 3hcb s LEU 103 N -9.91 4.54 0.13 0.59 1.43 -1.26 -4.77 118.68 109.43 3hcb s LEU 103 Ca -0.13 1.42 -0.16 0.00 -1.03 0.00 0.00 54.13 54.23 3hcb s LEU 103 Cb 0.15 -3.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 3hcb s LEU 103 CO 0.81 0.23 1.66 -0.08 0.23 0.00 0.00 176.35 179.19 3hcb h GLU 104 N 4.58 0.60 -0.96 1.70 4.57 -1.99 -2.92 114.58 120.15 3hcb h GLU 104 Ca -0.48 -0.12 0.11 0.00 -1.18 0.00 0.00 59.36 57.69 3hcb h GLU 104 Cb 1.21 -0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 29.63 3hcb h GLU 104 CO 0.65 0.59 0.61 -0.39 -1.18 0.00 0.00 179.01 179.30 3hcb h VAL 105 N 0.48 0.94 -0.18 0.32 -1.51 -1.96 -0.35 116.25 113.99 3hcb h VAL 105 Ca 0.13 -0.33 -0.14 0.00 -1.23 0.00 0.00 66.70 65.13 3hcb h VAL 105 Cb 0.23 -0.10 -0.01 0.00 -2.13 0.00 0.00 31.29 29.29 3hcb h VAL 105 CO -0.01 0.17 -0.49 0.78 -1.23 0.00 0.00 177.57 176.80 3hcb h ASN 106 N 0.95 0.52 0.38 4.19 -0.26 -1.88 -1.51 115.58 117.97 3hcb h ASN 106 Ca 0.46 -0.25 -0.14 0.00 -0.56 0.00 0.00 56.30 55.81 3hcb h ASN 106 Cb 0.46 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.56 3hcb h ASN 106 CO -0.23 0.92 -0.58 0.03 -1.06 0.00 0.00 177.43 176.51 3hcb h ARG 107 N 0.38 0.20 -0.30 0.81 3.08 -1.16 -1.47 114.38 115.92 3hcb h ARG 107 Ca 0.02 -0.13 -0.12 0.00 0.07 0.00 0.00 59.98 59.81 3hcb h ARG 107 Cb 0.99 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 3hcb h ARG 107 CO 0.09 0.73 -0.33 1.96 -1.07 0.00 0.00 179.97 181.35 3hcb h GLN 108 N 0.15 0.65 -0.13 0.04 4.20 -0.85 -1.16 115.11 118.01 3hcb h GLN 108 Ca -0.00 -0.30 -0.04 0.00 0.06 0.00 0.00 58.65 58.37 3hcb h GLN 108 Cb 1.07 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.83 3hcb h GLN 108 CO 0.09 0.89 -0.09 1.49 -0.67 0.00 0.00 178.83 180.53 3hcb h GLU 109 N 0.55 0.29 -0.85 1.46 4.57 -1.12 -2.33 114.58 117.14 3hcb h GLU 109 Ca 0.06 -0.14 0.13 0.00 -1.18 0.00 0.00 59.36 58.23 3hcb h GLU 109 Cb 0.83 -0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.33 3hcb h GLU 109 CO 0.07 0.66 0.46 -0.07 -1.18 0.00 0.00 179.01 178.95 3hcb h LEU 110 N -0.08 0.61 -0.62 1.64 3.38 -1.17 -1.66 115.31 117.41 3hcb h LEU 110 Ca 0.02 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3hcb h LEU 110 Cb 0.59 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3hcb h LEU 110 CO 0.03 0.29 0.41 1.23 0.09 0.00 0.00 178.44 180.49 3hcb h GLY 111 N 0.70 0.87 1.18 0.83 0.00 -1.05 -1.34 103.07 104.27 3hcb h GLY 111 Ca 0.45 -0.32 0.06 0.00 0.00 0.00 0.00 47.33 47.51 3hcb h GLY 111 CO -0.32 0.32 0.41 3.21 0.00 0.00 0.00 176.54 180.16 3hcb h ARG 112 N 0.84 0.61 0.08 4.80 3.08 -0.74 0.13 114.38 123.18 3hcb h ARG 112 Ca 0.23 -0.04 -0.26 0.00 0.07 0.00 0.00 59.98 59.99 3hcb h ARG 112 Cb -0.10 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 3hcb h ARG 112 CO -0.05 0.40 -1.20 2.35 -1.07 0.00 0.00 179.97 180.40 3hcb h TRP 113 N 0.63 0.30 -0.15 3.04 7.01 -1.22 0.55 115.95 126.10 3hcb h TRP 113 Ca 0.27 -0.22 -0.16 0.00 2.11 0.00 0.00 58.89 60.88 3hcb h TRP 113 Cb 0.25 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.29 3hcb h TRP 113 CO -0.00 1.18 -0.58 -0.07 -2.79 0.00 0.00 178.44 176.18 3hcb h LEU 114 N 0.04 0.55 -1.56 0.65 3.38 -0.49 -2.99 115.31 114.89 3hcb h LEU 114 Ca -0.11 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3hcb h LEU 114 Cb 1.91 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.50 3hcb h LEU 114 CO 0.17 1.01 0.00 0.00 0.09 0.00 0.00 178.44 179.71 3hcb n GLN 115 N -3.93 2.00 -3.50 1.13 1.13 -0.04 -4.92 117.38 109.26 3hcb n GLN 115 Ca -0.03 -1.54 -0.25 0.00 -1.94 0.00 0.00 57.00 53.24 3hcb n GLN 115 Cb 0.62 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.58 3hcb n GLN 115 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3hcb n GLU 116 N 0.75 -3.76 -1.55 -1.09 1.02 -1.11 -4.95 120.64 109.94 3hcb n GLU 116 Ca 0.16 0.51 -0.30 0.00 -0.02 0.00 0.00 57.16 57.52 3hcb n GLU 116 Cb 0.40 -5.26 0.20 0.00 -0.02 0.00 0.00 31.44 26.76 3hcb n GLU 116 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3hcb s GLU 117 N -6.16 -0.02 0.36 3.49 2.02 0.17 -5.00 118.70 113.55 3hcb s GLU 117 Ca 0.46 -0.19 -0.26 0.00 0.02 0.00 0.00 54.97 55.01 3hcb s GLU 117 Cb -0.24 -1.75 -0.09 0.00 0.10 0.00 0.00 34.13 32.15 3hcb s GLU 117 CO 0.57 -2.89 1.09 -2.14 0.02 0.00 0.00 175.26 171.91 3hcb s PRO 118 N -5.62 4.28 0.00 0.39 0.02 -1.26 -3.41 135.00 129.39 3hcb s PRO 118 Ca 0.71 1.68 0.00 0.00 0.02 0.00 0.00 61.00 63.41 3hcb s PRO 118 Cb -0.07 -2.77 0.00 0.00 0.02 0.00 0.00 34.50 31.67 3hcb s PRO 118 CO 0.54 -0.07 0.00 0.41 -0.33 0.00 0.00 177.00 177.55 3hcb n GLY 119 N 0.68 2.26 3.43 0.52 0.00 -1.26 -5.00 105.19 105.81 3hcb n GLY 119 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3hcb n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hcb n ALA 120 N -0.47 -1.68 -1.77 4.61 0.00 -1.22 -4.90 120.51 115.09 3hcb n ALA 120 Ca 0.00 0.11 -0.36 0.00 0.00 0.00 0.00 53.44 53.19 3hcb n ALA 120 Cb 0.00 -1.73 -0.00 0.00 0.00 0.00 0.00 19.45 17.72 3hcb n ALA 120 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3hcb s PHE 121 N -1.57 2.74 -0.48 0.00 5.36 -1.26 -4.99 117.98 117.78 3hcb s PHE 121 Ca 0.63 1.53 -0.19 0.00 -0.96 0.00 0.00 56.93 57.94 3hcb s PHE 121 Cb -0.57 -3.36 0.05 0.00 -0.34 0.00 0.00 43.02 38.79 3hcb s PHE 121 CO 0.58 -1.62 0.62 1.21 -1.46 0.00 0.00 175.22 174.55 3hcb s ASN 122 N -1.53 6.25 0.00 6.13 2.47 -1.26 -4.90 114.94 122.10 3hcb s ASN 122 Ca 0.68 -0.74 0.23 0.00 0.42 0.00 0.00 52.86 53.46 3hcb s ASN 122 Cb -0.27 -2.29 0.60 0.00 -1.45 0.00 0.00 41.25 37.83 3hcb s ASN 122 CO 0.32 -0.84 1.51 0.79 -3.72 0.00 0.00 177.10 175.16 3hcb n TRP 123 N 6.17 0.87 -0.26 0.43 7.02 -1.26 -4.65 117.44 125.76 3hcb n TRP 123 Ca -0.05 -0.43 -0.02 0.00 -1.02 0.00 0.00 57.50 55.98 3hcb n TRP 123 Cb 0.46 0.00 0.10 0.00 -2.42 0.00 0.00 31.31 29.45 3hcb n TRP 123 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3hcb h SER 124 N 4.38 0.69 -0.87 -0.99 4.64 -1.99 -0.96 113.55 118.46 3hcb h SER 124 Ca 0.00 0.02 0.12 0.00 -0.47 0.00 0.00 61.79 61.46 3hcb h SER 124 Cb 0.99 -0.13 -0.08 0.00 -0.31 0.00 0.00 62.40 62.87 3hcb h SER 124 CO 0.00 0.46 0.49 0.24 -0.87 0.00 0.00 176.83 177.15 3hcb h MET 125 N 0.83 0.74 -0.20 4.77 2.86 -2.00 -0.53 114.93 121.41 3hcb h MET 125 Ca 0.31 -0.04 -0.18 0.00 -2.06 0.00 0.00 59.70 57.73 3hcb h MET 125 Cb 0.12 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 3hcb h MET 125 CO -0.15 0.49 -0.61 1.88 1.06 0.00 0.00 176.91 179.57 3hcb h TYR 126 N 0.76 0.87 -0.59 -0.22 -1.99 -1.57 -1.73 116.97 112.51 3hcb h TYR 126 Ca 0.45 -0.33 -0.02 0.00 2.00 0.00 0.00 58.73 60.82 3hcb h TYR 126 Cb 0.51 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 39.06 3hcb h TYR 126 CO -0.06 1.12 0.29 0.77 -0.00 0.00 0.00 178.16 180.28 3hcb h SER 127 N 0.50 0.76 -0.01 3.88 0.02 -0.77 -0.04 113.55 117.90 3hcb h SER 127 Ca -0.01 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3hcb h SER 127 Cb 1.20 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 3hcb h SER 127 CO 0.12 0.67 -0.03 1.56 -1.14 0.00 0.00 176.83 178.01 3hcb h GLN 128 N 0.80 -0.05 -0.15 3.45 4.20 -1.06 -1.32 115.11 120.97 3hcb h GLN 128 Ca 0.20 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.83 3hcb h GLN 128 Cb 0.10 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3hcb h GLN 128 CO -0.03 -0.03 -0.28 0.45 -0.67 0.00 0.00 178.83 178.27 3hcb h HIS 129 N -0.05 0.32 -0.44 2.96 3.86 -1.02 0.25 115.15 121.04 3hcb h HIS 129 Ca 0.02 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 3hcb h HIS 129 Cb 0.07 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 3hcb h HIS 129 CO -0.11 0.55 0.18 0.00 0.86 0.00 0.00 177.93 179.41 3hcb h ALA 130 N 1.45 0.57 -0.61 2.45 0.00 -0.85 0.15 119.26 122.41 3hcb h ALA 130 Ca 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3hcb h ALA 130 Cb 0.64 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3hcb h ALA 130 CO 0.05 0.16 0.35 0.00 0.00 0.00 0.00 179.25 179.80 3hcb h LEU 132 N 0.82 -0.63 -0.08 0.00 5.85 -0.23 -2.09 115.31 118.95 3hcb h LEU 132 Ca 0.22 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 3hcb h LEU 132 Cb 0.02 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 3hcb h LEU 132 CO -0.04 -0.35 0.03 0.40 -0.34 0.00 0.00 178.44 178.14 3hcb h ILE 133 N -0.52 1.16 -0.89 4.05 2.04 -0.54 -2.92 117.51 119.89 3hcb h ILE 133 Ca -0.01 -0.48 0.07 0.00 1.00 0.00 0.00 64.86 65.45 3hcb h ILE 133 Cb 0.47 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 3hcb h ILE 133 CO -0.04 0.14 0.58 -0.33 0.00 0.00 0.00 178.15 178.49 3hcb h GLU 134 N -0.05 0.95 -3.16 2.37 5.08 -0.80 -3.47 114.58 115.50 3hcb h GLU 134 Ca 0.02 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 58.13 3hcb h GLU 134 Cb 0.19 -0.21 0.06 0.00 0.50 0.00 0.00 28.75 29.29 3hcb h GLU 134 CO -0.00 0.63 -0.33 0.41 -1.00 0.00 0.00 179.01 178.72 3hcb n GLY 135 N -1.40 0.18 0.81 -3.84 0.00 -0.79 -4.92 105.19 95.22 3hcb n GLY 135 Ca 0.14 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.99 3hcb n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hcb n LYS 136 N -2.65 2.28 -0.98 1.61 5.02 -1.26 -4.96 118.16 117.23 3hcb n LYS 136 Ca -0.01 -2.00 0.00 0.00 -2.02 0.00 0.00 58.31 54.28 3hcb n LYS 136 Cb 0.54 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 3hcb n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hcb n GLY 137 N 0.91 0.50 3.77 0.72 0.00 -1.26 -5.01 105.19 104.82 3hcb n GLY 137 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3hcb n GLY 137 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hcb s GLU 138 N -0.34 3.79 0.39 1.61 2.12 -1.26 -5.03 118.70 119.98 3hcb s GLU 138 Ca 0.00 1.81 -0.11 0.00 0.36 0.00 0.00 54.97 57.03 3hcb s GLU 138 Cb 0.00 -2.45 -0.07 0.00 0.26 0.00 0.00 34.13 31.87 3hcb s GLU 138 CO 0.00 -0.53 0.76 0.00 -0.54 0.00 0.00 175.26 174.95 3hcb h TRP 140 N 1.40 0.00 -0.27 0.00 5.08 -1.93 -2.70 115.95 117.53 3hcb h TRP 140 Ca -0.47 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.36 3hcb h TRP 140 Cb 1.19 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.34 3hcb h TRP 140 CO 0.61 0.18 -0.39 1.96 -1.28 0.00 0.00 178.44 179.52 3hcb h GLN 141 N 0.00 0.63 -0.05 0.12 7.50 -1.95 -2.17 115.11 119.19 3hcb h GLN 141 Ca -0.00 -0.32 -0.14 0.00 0.50 0.00 0.00 58.65 58.69 3hcb h GLN 141 Cb 0.66 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.18 3hcb h GLN 141 CO 0.02 0.92 -0.60 -0.44 -1.50 0.00 0.00 178.83 177.23 3hcb h ASP 142 N 0.52 0.21 0.56 1.46 3.32 -1.89 -1.89 116.42 118.72 3hcb h ASP 142 Ca 0.05 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 3hcb h ASP 142 Cb 0.90 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.40 3hcb h ASP 142 CO 0.08 0.76 -0.27 0.50 -1.72 0.00 0.00 179.24 178.59 3hcb h LYS 143 N 0.14 -0.73 -0.44 3.56 1.63 -1.41 -1.37 116.57 117.95 3hcb h LYS 143 Ca -0.01 0.05 0.07 0.00 -0.85 0.00 0.00 60.65 59.92 3hcb h LYS 143 Cb 1.10 0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.87 3hcb h LYS 143 CO 0.09 -0.42 0.30 0.93 -3.45 0.00 0.00 179.45 176.90 3hcb h GLU 144 N -1.01 0.27 -0.40 1.90 5.08 -1.43 -1.00 114.58 117.99 3hcb h GLU 144 Ca -0.08 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 3hcb h GLU 144 Cb 0.65 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3hcb h GLU 144 CO 0.13 0.18 -0.17 -0.09 -1.00 0.00 0.00 179.01 178.06 3hcb h ARG 145 N 0.28 0.82 -0.16 2.33 2.43 -1.24 -1.45 114.38 117.39 3hcb h ARG 145 Ca 0.20 -0.35 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3hcb h ARG 145 Cb 0.43 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3hcb h ARG 145 CO -0.04 0.98 0.02 0.37 -1.51 0.00 0.00 179.97 179.78 3hcb h GLN 146 N 0.63 0.28 0.28 0.20 4.15 -0.07 -1.78 115.11 118.79 3hcb h GLN 146 Ca 0.09 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3hcb h GLN 146 Cb 0.72 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.34 3hcb h GLN 146 CO 0.05 0.47 -0.50 1.25 -1.93 0.00 0.00 178.83 178.17 3hcb h LEU 147 N 0.05 -1.43 -1.97 -2.39 5.85 -1.23 -0.29 115.31 113.89 3hcb h LEU 147 Ca 0.05 0.14 0.14 0.00 0.84 0.00 0.00 57.88 59.04 3hcb h LEU 147 Cb 0.33 0.51 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 3hcb h LEU 147 CO 0.01 -0.59 0.47 0.03 -0.34 0.00 0.00 178.44 178.01 3hcb h ARG 148 N -0.84 0.00 0.21 1.25 3.08 -1.21 -0.95 114.38 115.91 3hcb h ARG 148 Ca -0.02 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.72 3hcb h ARG 148 Cb 0.79 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.87 3hcb h ARG 148 CO -0.18 0.00 -1.41 0.00 -1.07 0.00 0.00 179.97 177.31 3hcb h ALA 149 N 1.51 -0.06 -0.00 0.04 0.00 -0.48 -3.36 119.26 116.92 3hcb h ALA 149 Ca 0.23 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3hcb h ALA 149 Cb 1.16 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3hcb h ALA 149 CO -0.00 0.71 -0.32 0.54 0.00 0.00 0.00 179.25 180.17 3hcb n ARG 150 N -3.79 0.04 -2.73 0.00 1.74 -0.20 -4.61 116.66 107.11 3hcb n ARG 150 Ca -0.19 -0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.45 3hcb n ARG 150 Cb 1.03 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.93 3hcb n ARG 150 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hcb s VAL 151 N -2.97 4.14 0.05 1.55 1.01 -0.67 0.54 120.40 124.05 3hcb s VAL 151 Ca 0.13 0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.41 3hcb s VAL 151 Cb 0.18 -4.71 -0.23 0.00 0.00 0.00 0.00 36.38 31.63 3hcb s VAL 151 CO 0.63 -1.44 1.02 0.11 0.00 0.00 0.00 175.10 175.42 3hcb h LYS 152 N 9.61 0.04 -2.32 2.72 1.79 -1.39 -3.48 116.57 123.54 3hcb h LYS 152 Ca -0.27 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.06 3hcb h LYS 152 Cb 1.06 0.02 -0.20 0.00 -1.58 0.00 0.00 32.23 31.54 3hcb h LYS 152 CO 1.18 0.85 0.04 -0.98 -1.08 0.00 0.00 179.45 179.46 3hcb s ARG 153 N -2.66 0.92 -0.33 3.15 1.70 -1.25 -5.09 118.95 115.39 3hcb s ARG 153 Ca -0.02 0.17 0.04 0.00 -0.47 0.00 0.00 55.73 55.44 3hcb s ARG 153 Cb 0.09 0.43 0.09 0.00 -0.57 0.00 0.00 34.95 34.99 3hcb s ARG 153 CO 0.83 -0.27 0.03 0.08 -1.08 0.00 0.00 175.30 174.89 3hcb s VAL 154 N -1.12 2.31 0.02 4.99 1.01 -1.26 -1.40 120.40 124.95 3hcb s VAL 154 Ca -0.11 -2.23 0.00 0.00 0.00 0.00 0.00 61.98 59.64 3hcb s VAL 154 Cb -0.02 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 3hcb s VAL 154 CO 0.08 -0.52 0.10 -0.76 0.00 0.00 0.00 175.10 174.00 3hcb s LEU 155 N 0.94 3.97 0.76 3.92 1.43 0.56 -4.95 118.68 125.31 3hcb s LEU 155 Ca 0.08 0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.19 3hcb s LEU 155 Cb -0.19 -2.43 0.06 0.00 0.03 0.00 0.00 46.19 43.66 3hcb s LEU 155 CO -0.07 0.24 1.17 -2.16 0.23 0.00 0.00 176.35 175.75 3hcb s PRO 156 N -1.99 2.01 -0.06 1.29 0.04 -1.26 -1.78 135.00 133.25 3hcb s PRO 156 Ca 0.26 1.60 -0.31 0.00 0.04 0.00 0.00 61.00 62.59 3hcb s PRO 156 Cb -0.12 -1.84 0.08 0.00 0.04 0.00 0.00 34.50 32.66 3hcb s PRO 156 CO 0.18 -1.90 0.71 -1.50 0.04 0.00 0.00 177.00 174.53 3hcb s ILE 157 N -2.28 0.00 -0.15 0.56 2.07 -1.22 -4.75 121.20 115.43 3hcb s ILE 157 Ca 0.70 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.90 3hcb s ILE 157 Cb -0.25 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 41.40 3hcb s ILE 157 CO 0.49 0.00 0.09 -0.62 -1.91 0.00 0.00 174.94 172.99 3hcb s ASP 158 N -1.20 2.14 0.09 4.50 -1.08 -0.51 -3.40 116.67 117.20 3hcb s ASP 158 Ca -0.10 -0.50 0.18 0.00 -0.52 0.00 0.00 52.55 51.61 3hcb s ASP 158 Cb -0.00 -0.20 0.74 0.00 -1.46 0.00 0.00 42.92 42.00 3hcb s ASP 158 CO 0.09 -0.34 1.55 1.33 0.52 0.00 0.00 175.17 178.32 3hcb n VAL 159 N 5.28 0.93 0.89 1.11 0.24 -1.26 -1.83 118.33 123.69 3hcb n VAL 159 Ca -0.06 0.24 0.14 0.00 -2.04 0.00 0.00 64.34 62.61 3hcb n VAL 159 Cb 0.49 -1.05 0.53 0.00 -1.47 0.00 0.00 33.84 32.34 3hcb n VAL 159 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3hcb n HIS 160 N -1.74 0.27 -3.31 6.34 8.25 -1.26 -4.47 115.22 119.29 3hcb n HIS 160 Ca 0.03 0.08 -0.38 0.00 -0.26 0.00 0.00 57.72 57.18 3hcb n HIS 160 Cb 0.19 -0.61 -0.06 0.00 1.12 0.00 0.00 29.99 30.63 3hcb n HIS 160 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3hcb s GLN 161 N -3.03 4.15 0.58 -0.41 -1.52 -0.76 -4.96 119.66 113.70 3hcb s GLN 161 Ca 0.13 0.68 0.27 0.00 -1.95 0.00 0.00 55.36 54.49 3hcb s GLN 161 Cb 0.17 -3.23 1.62 0.00 -0.22 0.00 0.00 33.01 31.35 3hcb s GLN 161 CO 0.56 0.65 2.13 -1.35 -0.25 0.00 0.00 175.29 177.03 3hcb h PRO 162 N 4.55 0.00 -3.31 2.91 0.11 -1.88 -2.87 132.00 131.51 3hcb h PRO 162 Ca -0.50 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 64.97 3hcb h PRO 162 Cb 1.21 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.92 3hcb h PRO 162 CO 0.63 0.00 -0.58 -0.65 -0.21 0.00 0.00 178.00 177.19 3hcb s GLN 163 N -4.72 2.19 0.42 1.05 -0.21 -1.26 -4.84 119.66 112.29 3hcb s GLN 163 Ca -0.05 -2.83 0.10 0.00 0.02 0.00 0.00 55.36 52.60 3hcb s GLN 163 Cb 0.16 -3.40 0.91 0.00 1.00 0.00 0.00 33.01 31.68 3hcb s GLN 163 CO 0.58 -1.17 2.01 -1.35 -2.12 0.00 0.00 175.29 173.25 3hcb h PRO 164 N 6.22 0.31 0.00 2.91 0.11 -1.68 -1.92 132.00 137.95 3hcb h PRO 164 Ca -0.01 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 65.84 3hcb h PRO 164 Cb 0.86 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.87 3hcb h PRO 164 CO 0.70 0.30 -1.51 -0.07 -0.21 0.00 0.00 178.00 177.21 3hcb h LEU 165 N 0.31 0.00 0.00 2.35 3.38 -1.86 -1.36 115.31 118.12 3hcb h LEU 165 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hcb h LEU 165 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3hcb h LEU 165 CO -0.00 0.76 0.00 0.61 0.09 0.00 0.00 178.44 179.90 3hcb n GLY 166 N 1.46 0.51 0.04 0.83 0.00 -0.72 -4.75 105.19 102.56 3hcb n GLY 166 Ca -0.12 -2.14 -0.03 0.00 0.00 0.00 0.00 46.02 43.73 3hcb n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hcb n ALA 167 N -1.00 0.29 -2.36 4.61 0.00 -1.26 -4.64 120.51 116.15 3hcb n ALA 167 Ca 0.00 -0.32 -0.37 0.00 0.00 0.00 0.00 53.44 52.75 3hcb n ALA 167 Cb 0.00 0.01 0.02 0.00 0.00 0.00 0.00 19.45 19.48 3hcb n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hcb n GLY 168 N 1.65 5.80 3.75 0.00 0.00 -1.26 -5.03 105.19 110.10 3hcb n GLY 168 Ca -0.05 -2.60 -0.41 0.00 0.00 0.00 0.00 46.02 42.97 3hcb n GLY 168 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hcb s SER 169 N -1.86 6.68 0.00 1.61 1.04 -1.26 -4.87 113.70 115.04 3hcb s SER 169 Ca 0.47 2.66 0.05 0.00 0.48 0.00 0.00 55.95 59.61 3hcb s SER 169 Cb 0.34 -2.63 0.26 0.00 0.10 0.00 0.00 66.02 64.09 3hcb s SER 169 CO -0.26 -0.67 1.04 -2.65 0.98 0.00 0.00 173.24 171.68 3hcb n PRO 170 N 2.08 0.06 -2.70 4.02 -0.02 -1.26 -4.72 135.00 132.46 3hcb n PRO 170 Ca 0.06 0.27 -0.42 0.00 -2.02 0.00 0.00 63.50 61.38 3hcb n PRO 170 Cb 0.41 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.36 3hcb n PRO 170 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hcb s ALA 171 N -2.65 3.26 0.15 3.55 0.00 -1.26 -4.99 121.76 119.82 3hcb s ALA 171 Ca 0.05 0.48 -0.32 0.00 0.00 0.00 0.00 51.96 52.17 3hcb s ALA 171 Cb 0.04 -3.38 -0.11 0.00 0.00 0.00 0.00 23.12 19.66 3hcb s ALA 171 CO 0.08 -0.39 1.80 -2.30 0.00 0.00 0.00 175.76 174.96 3hcb n PRO 172 N 4.36 2.79 -4.26 0.00 -0.02 -1.26 -4.98 135.00 131.62 3hcb n PRO 172 Ca 0.07 1.01 -0.18 0.00 -2.02 0.00 0.00 63.50 62.39 3hcb n PRO 172 Cb 0.50 -2.89 -0.13 0.00 -0.02 0.00 0.00 33.50 30.96 3hcb n PRO 172 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hcb s LEU 173 N 2.22 2.15 0.64 2.45 1.43 -1.26 -4.05 118.68 122.27 3hcb s LEU 173 Ca 0.80 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 53.38 3hcb s LEU 173 Cb -0.49 -0.44 -0.03 0.00 0.03 0.00 0.00 46.19 45.26 3hcb s LEU 173 CO 0.36 -0.01 1.05 -2.16 0.23 0.00 0.00 176.35 175.81 3hcb s PRO 174 N -1.01 3.41 0.41 1.29 0.04 -1.26 -5.12 135.00 132.75 3hcb s PRO 174 Ca -0.01 0.68 -0.21 0.00 0.04 0.00 0.00 61.00 61.50 3hcb s PRO 174 Cb -0.07 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 32.30 3hcb s PRO 174 CO 0.01 -0.69 0.93 0.00 0.04 0.00 0.00 177.00 177.29 3hcb s ALA 175 N -3.22 3.08 0.04 8.56 0.00 0.17 -4.66 121.76 125.72 3hcb s ALA 175 Ca 0.56 0.38 0.27 0.00 0.00 0.00 0.00 51.96 53.17 3hcb s ALA 175 Cb -0.11 -3.12 0.99 0.00 0.00 0.00 0.00 23.12 20.88 3hcb s ALA 175 CO 0.53 0.15 1.85 -0.44 0.00 0.00 0.00 175.76 177.85 3hcb h ASP 176 N 2.06 0.00 -4.63 0.00 3.45 -1.67 -1.34 116.42 114.29 3hcb h ASP 176 Ca -0.49 0.00 0.04 0.00 0.43 0.00 0.00 57.03 57.02 3hcb h ASP 176 Cb 1.18 0.00 -0.18 0.00 -0.56 0.00 0.00 39.33 39.77 3hcb h ASP 176 CO 0.62 0.12 0.40 0.00 -1.57 0.00 0.00 179.24 178.81 3hcb s ALA 177 N -3.57 -1.81 0.08 3.45 0.00 -1.18 -2.92 121.76 115.81 3hcb s ALA 177 Ca 0.02 1.16 0.07 0.00 0.00 0.00 0.00 51.96 53.21 3hcb s ALA 177 Cb 0.09 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 3hcb s ALA 177 CO 0.61 -0.53 -0.19 -0.51 0.00 0.00 0.00 175.76 175.15 3hcb s LEU 178 N -1.86 2.26 -0.03 0.00 1.43 0.11 -2.16 118.68 118.43 3hcb s LEU 178 Ca -0.01 -0.62 0.04 0.00 -1.03 0.00 0.00 54.13 52.51 3hcb s LEU 178 Cb -0.01 -0.79 -0.00 0.00 0.03 0.00 0.00 46.19 45.42 3hcb s LEU 178 CO -0.03 0.04 -0.16 -0.69 0.23 0.00 0.00 176.35 175.75 3hcb s VAL 179 N -1.10 1.30 -0.17 -1.59 1.01 -0.31 -0.89 120.40 118.67 3hcb s VAL 179 Ca 0.04 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 3hcb s VAL 179 Cb -0.10 -1.12 0.07 0.00 0.00 0.00 0.00 36.38 35.24 3hcb s VAL 179 CO 0.03 0.38 0.37 -0.55 0.00 0.00 0.00 175.10 175.33 3hcb s SER 180 N -0.05 -0.21 -0.15 3.32 0.15 -0.31 0.11 113.70 116.56 3hcb s SER 180 Ca -0.01 0.84 0.01 0.00 0.70 0.00 0.00 55.95 57.49 3hcb s SER 180 Cb -0.10 0.96 0.02 0.00 -1.71 0.00 0.00 66.02 65.19 3hcb s SER 180 CO 0.01 -0.22 -0.18 0.00 1.20 0.00 0.00 173.24 174.06 3hcb s ALA 181 N 2.08 2.07 -1.51 5.45 0.00 -1.26 -0.70 121.76 127.90 3hcb s ALA 181 Ca -0.04 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 50.84 3hcb s ALA 181 Cb -0.11 -1.05 0.01 0.00 0.00 0.00 0.00 23.12 21.97 3hcb s ALA 181 CO -0.12 -0.25 0.73 1.19 0.00 0.00 0.00 175.76 177.31 3hcb n PHE 182 N 4.49 -2.16 0.00 0.00 3.01 0.95 -4.90 117.46 118.84 3hcb n PHE 182 Ca -0.19 0.63 0.00 0.00 1.01 0.00 0.00 57.45 58.90 3hcb n PHE 182 Cb 0.50 -4.53 0.00 0.00 -0.01 0.00 0.00 39.48 35.44 3hcb n PHE 182 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hcb h LEU 184 N 0.00 -1.15 -2.24 0.00 3.38 -1.92 0.12 115.31 113.50 3hcb h LEU 184 Ca 0.00 0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.17 3hcb h LEU 184 Cb 0.00 0.47 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3hcb h LEU 184 CO 0.00 -0.25 0.23 1.05 0.09 0.00 0.00 178.44 179.55 3hcb h GLU 185 N -0.26 0.00 -0.01 1.13 9.09 -1.90 -0.11 114.58 122.52 3hcb h GLU 185 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.45 3hcb h GLU 185 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 3hcb h GLU 185 CO -0.36 0.00 -0.34 0.00 0.05 0.00 0.00 179.01 178.36 3hcb n ALA 186 N -2.24 3.26 0.02 1.06 0.00 0.29 -2.18 120.51 120.71 3hcb n ALA 186 Ca 0.01 -0.48 0.01 0.00 0.00 0.00 0.00 53.44 52.98 3hcb n ALA 186 Cb 0.34 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.78 3hcb n ALA 186 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3hcb n VAL 187 N -0.46 0.48 -4.48 0.00 0.24 -0.14 -4.80 118.33 109.17 3hcb n VAL 187 Ca 0.11 -0.74 -0.33 0.00 -2.04 0.00 0.00 64.34 61.34 3hcb n VAL 187 Cb 0.39 0.78 -0.16 0.00 -1.47 0.00 0.00 33.84 33.38 3hcb n VAL 187 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3hcb s SER 188 N -0.53 3.38 0.48 -1.34 0.01 -0.72 -4.86 113.70 110.11 3hcb s SER 188 Ca 0.02 -0.55 0.23 0.00 1.31 0.00 0.00 55.95 56.95 3hcb s SER 188 Cb 0.01 -1.51 1.22 0.00 0.21 0.00 0.00 66.02 65.95 3hcb s SER 188 CO 0.02 0.06 2.00 1.55 0.41 0.00 0.00 173.24 177.28 3hcb h PRO 189 N 7.47 0.00 -2.92 12.44 0.13 -1.90 -3.00 132.00 144.22 3hcb h PRO 189 Ca -0.35 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.83 3hcb h PRO 189 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 3hcb h PRO 189 CO 0.58 0.18 0.28 0.16 -0.23 0.00 0.00 178.00 178.96 3hcb s ASP 190 N -6.43 -0.17 0.30 1.44 1.47 -1.26 -4.60 116.67 107.42 3hcb s ASP 190 Ca -0.03 -0.74 0.05 0.00 1.18 0.00 0.00 52.55 53.02 3hcb s ASP 190 Cb 0.14 0.73 0.70 0.00 -0.34 0.00 0.00 42.92 44.15 3hcb s ASP 190 CO 0.63 -1.39 1.80 -0.07 0.68 0.00 0.00 175.17 176.82 3hcb h LEU 191 N 2.00 0.81 -0.27 2.11 3.38 -1.95 -1.72 115.31 119.68 3hcb h LEU 191 Ca -0.23 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 3hcb h LEU 191 Cb 1.25 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3hcb h LEU 191 CO 0.28 0.34 -0.14 0.00 0.09 0.00 0.00 178.44 179.01 3hcb h ALA 192 N 1.61 0.38 -0.28 1.53 0.00 -1.99 0.11 119.26 120.63 3hcb h ALA 192 Ca 0.54 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hcb h ALA 192 Cb 0.78 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3hcb h ALA 192 CO -0.33 0.27 0.17 1.03 0.00 0.00 0.00 179.25 180.40 3hcb h SER 193 N 0.31 0.33 -0.29 0.00 0.87 -1.85 -1.07 113.55 111.85 3hcb h SER 193 Ca 0.06 -0.03 0.07 0.00 -1.23 0.00 0.00 61.79 60.65 3hcb h SER 193 Cb 0.66 -0.08 -0.08 0.00 -0.44 0.00 0.00 62.40 62.46 3hcb h SER 193 CO 0.04 0.26 -0.33 0.15 -0.53 0.00 0.00 176.83 176.42 3hcb h PHE 194 N 0.36 -0.91 -0.81 2.24 3.57 -1.09 0.28 116.94 120.57 3hcb h PHE 194 Ca 0.10 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.71 3hcb h PHE 194 Cb -0.01 0.44 -0.06 0.00 2.79 0.00 0.00 35.95 39.11 3hcb h PHE 194 CO -0.05 -0.39 0.50 0.37 -2.23 0.00 0.00 178.31 176.51 3hcb h GLN 195 N -0.31 0.90 -0.28 1.11 5.75 -0.68 0.05 115.11 121.63 3hcb h GLN 195 Ca 0.14 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.52 3hcb h GLN 195 Cb 0.54 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 3hcb h GLN 195 CO -0.46 0.59 -0.07 0.00 -2.65 0.00 0.00 178.83 176.25 3hcb h ARG 196 N 0.93 0.55 -0.89 1.69 3.08 -0.39 -1.42 114.38 117.92 3hcb h ARG 196 Ca 0.35 -0.21 0.06 0.00 0.07 0.00 0.00 59.98 60.26 3hcb h ARG 196 Cb 0.14 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 3hcb h ARG 196 CO -0.16 0.75 0.56 0.00 -1.07 0.00 0.00 179.97 180.04 3hcb h ALA 197 N 0.78 1.22 -0.50 0.04 0.00 0.01 0.36 119.26 121.19 3hcb h ALA 197 Ca 0.07 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3hcb h ALA 197 Cb 0.54 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3hcb h ALA 197 CO 0.03 0.31 0.30 1.25 0.00 0.00 0.00 179.25 181.14 3hcb h LEU 198 N 1.01 0.49 -0.25 0.00 5.85 -0.85 -1.84 115.31 119.73 3hcb h LEU 198 Ca 0.39 0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.15 3hcb h LEU 198 Cb 0.17 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3hcb h LEU 198 CO -0.17 0.35 0.02 0.44 -0.34 0.00 0.00 178.44 178.74 3hcb h ASP 199 N 0.60 -0.05 -0.53 1.25 3.32 0.10 -0.75 116.42 120.37 3hcb h ASP 199 Ca 0.20 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.35 3hcb h ASP 199 Cb 0.01 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 3hcb h ASP 199 CO -0.08 0.01 0.25 0.45 -1.72 0.00 0.00 179.24 178.15 3hcb h HIS 200 N 0.11 0.45 -0.03 4.55 3.86 0.13 -2.35 115.15 121.87 3hcb h HIS 200 Ca 0.12 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.18 3hcb h HIS 200 Cb 0.14 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 3hcb h HIS 200 CO -0.18 0.20 -0.74 -0.84 0.86 0.00 0.00 177.93 177.23 3hcb h ILE 201 N 0.48 1.44 -0.27 2.45 3.07 -1.22 -3.16 117.51 120.30 3hcb h ILE 201 Ca 0.24 -2.30 0.08 0.00 1.55 0.00 0.00 64.86 64.43 3hcb h ILE 201 Cb 0.18 2.23 -0.01 0.00 -0.27 0.00 0.00 36.82 38.95 3hcb h ILE 201 CO -0.19 0.68 0.23 0.74 -1.05 0.00 0.00 178.15 178.56 3hcb h THR 202 N 0.15 0.66 0.00 0.16 2.02 -0.58 0.09 112.91 115.41 3hcb h THR 202 Ca -0.03 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 3hcb h THR 202 Cb 1.31 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 68.55 3hcb h THR 202 CO 0.11 0.00 -0.15 0.71 0.37 0.00 0.00 175.52 176.56 3hcb h THR 203 N 0.00 0.46 0.00 3.16 1.35 -1.49 -2.25 112.91 114.14 3hcb h THR 203 Ca 0.13 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3hcb h THR 203 Cb 0.58 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 3hcb h THR 203 CO -0.00 0.15 0.00 0.18 -0.25 0.00 0.00 175.52 175.60 3hcb n LEU 204 N -3.42 0.53 -4.55 3.87 4.77 0.02 -4.73 117.00 113.49 3hcb n LEU 204 Ca -0.01 0.59 -0.39 0.00 -0.03 0.00 0.00 56.01 56.18 3hcb n LEU 204 Cb 0.34 -0.48 -0.11 0.00 -2.33 0.00 0.00 43.42 40.84 3hcb n LEU 204 CO 0.31 -0.34 -0.16 -0.22 -1.33 0.00 0.00 177.39 175.65 3hcb s LEU 205 N -4.09 4.16 0.36 2.23 2.96 -0.85 -0.66 118.68 122.80 3hcb s LEU 205 Ca 0.08 -0.18 -0.26 0.00 -0.22 0.00 0.00 54.13 53.54 3hcb s LEU 205 Cb 0.11 -2.11 -0.12 0.00 0.50 0.00 0.00 46.19 44.57 3hcb s LEU 205 CO 0.45 -0.12 1.09 -1.14 -1.32 0.00 0.00 176.35 175.31 3hcb n ARG 206 N 5.06 1.56 -1.75 1.98 0.63 -0.50 -4.86 116.66 118.79 3hcb n ARG 206 Ca -0.14 0.55 -0.42 0.00 -0.92 0.00 0.00 57.85 56.93 3hcb n ARG 206 Cb 0.51 -2.06 -0.02 0.00 0.45 0.00 0.00 32.46 31.34 3hcb n ARG 206 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3hcb n PRO 207 N 0.42 2.71 0.00 -0.14 -0.02 -1.26 -0.40 135.00 136.32 3hcb n PRO 207 Ca 0.08 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 3hcb n PRO 207 Cb 0.36 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 3hcb n PRO 207 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hcb n GLY 208 N 2.19 2.60 3.28 -1.23 0.00 0.19 -5.03 105.19 107.19 3hcb n GLY 208 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3hcb n GLY 208 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hcb s GLY 209 N -2.21 1.40 0.01 -0.02 0.00 0.46 -4.54 107.32 102.43 3hcb s GLY 209 Ca 0.00 -0.72 0.06 0.00 0.00 0.00 0.00 44.72 44.06 3hcb s GLY 209 CO 0.00 0.28 -0.18 0.30 0.00 0.00 0.00 173.10 173.49 3hcb s HIS 210 N -2.19 1.63 -0.08 1.90 3.76 -1.15 -1.57 115.29 117.59 3hcb s HIS 210 Ca 0.68 -0.34 0.05 0.00 -0.15 0.00 0.00 55.06 55.31 3hcb s HIS 210 Cb -0.15 -1.01 -0.00 0.00 1.11 0.00 0.00 32.58 32.52 3hcb s HIS 210 CO 0.59 0.02 -0.24 -1.17 -0.85 0.00 0.00 174.74 173.10 3hcb s LEU 211 N -0.78 2.06 -0.27 0.89 2.96 0.66 0.06 118.68 124.26 3hcb s LEU 211 Ca 0.06 -0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3hcb s LEU 211 Cb -0.08 -1.35 0.04 0.00 0.50 0.00 0.00 46.19 45.30 3hcb s LEU 211 CO 0.00 0.19 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.41 3hcb s LEU 212 N 0.15 3.51 -0.16 -0.68 1.43 -0.07 -0.99 118.68 121.88 3hcb s LEU 212 Ca -0.12 -1.16 0.01 0.00 -1.03 0.00 0.00 54.13 51.83 3hcb s LEU 212 Cb -0.16 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.42 3hcb s LEU 212 CO 0.06 -0.19 -0.18 -0.22 0.23 0.00 0.00 176.35 176.05 3hcb s LEU 213 N 1.24 2.30 0.04 1.79 2.96 0.01 -1.16 118.68 125.86 3hcb s LEU 213 Ca -0.04 -0.56 0.09 0.00 -0.22 0.00 0.00 54.13 53.41 3hcb s LEU 213 Cb -0.19 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 3hcb s LEU 213 CO -0.03 0.05 -0.26 -0.63 -1.32 0.00 0.00 176.35 174.16 3hcb s ILE 214 N 1.00 2.16 0.10 6.68 1.01 0.12 0.10 121.20 132.37 3hcb s ILE 214 Ca -0.02 -1.38 -0.26 0.00 0.00 0.00 0.00 60.65 58.99 3hcb s ILE 214 Cb -0.15 -1.84 0.08 0.00 0.01 0.00 0.00 42.46 40.57 3hcb s ILE 214 CO -0.04 0.37 1.07 -0.83 0.00 0.00 0.00 174.94 175.51 3hcb s GLY 215 N -1.23 -0.26 0.35 6.18 0.00 -1.00 -0.04 107.32 111.32 3hcb s GLY 215 Ca 0.12 0.26 -0.26 0.00 0.00 0.00 0.00 44.72 44.83 3hcb s GLY 215 CO 0.02 0.28 1.06 0.00 0.00 0.00 0.00 173.10 174.46 3hcb s ALA 216 N -2.93 3.21 -0.15 3.20 0.00 -1.26 -1.38 121.76 122.45 3hcb s ALA 216 Ca 0.14 0.76 -0.05 0.00 0.00 0.00 0.00 51.96 52.81 3hcb s ALA 216 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 3hcb s ALA 216 CO 0.01 -0.17 0.03 -0.51 0.00 0.00 0.00 175.76 175.12 3hcb s LEU 217 N -2.16 3.69 -1.57 0.00 1.43 0.01 -4.62 118.68 115.46 3hcb s LEU 217 Ca 0.52 0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 53.56 3hcb s LEU 217 Cb -0.26 -1.90 0.12 0.00 0.03 0.00 0.00 46.19 44.18 3hcb s LEU 217 CO 0.32 0.25 0.84 -0.62 0.23 0.00 0.00 176.35 177.37 3hcb n GLU 218 N 3.04 -4.25 -4.05 1.70 -0.58 0.72 -1.94 120.64 115.29 3hcb n GLU 218 Ca -0.18 0.49 -0.36 0.00 -0.42 0.00 0.00 57.16 56.70 3hcb n GLU 218 Cb 0.53 -5.30 -0.08 0.00 -0.57 0.00 0.00 31.44 26.02 3hcb n GLU 218 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3hcb s GLU 219 N -6.66 3.48 -0.01 3.49 2.12 -1.26 -4.24 118.70 115.62 3hcb s GLU 219 Ca 0.67 -0.27 0.09 0.00 0.36 0.00 0.00 54.97 55.82 3hcb s GLU 219 Cb -0.35 -3.09 -0.14 0.00 0.26 0.00 0.00 34.13 30.81 3hcb s GLU 219 CO 0.82 0.61 0.20 -1.13 -0.54 0.00 0.00 175.26 175.22 3hcb n SER 220 N 2.49 2.86 -3.53 -1.70 3.41 -1.26 -2.20 113.62 113.69 3hcb n SER 220 Ca -0.19 -0.02 -0.13 0.00 -0.26 0.00 0.00 58.87 58.28 3hcb n SER 220 Cb 0.54 1.41 -0.04 0.00 -0.26 0.00 0.00 64.21 65.85 3hcb n SER 220 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 3hcb s TRP 221 N -2.62 -0.45 0.03 7.33 1.48 -1.26 0.75 118.94 124.20 3hcb s TRP 221 Ca -0.03 0.42 -0.17 0.00 -1.06 0.00 0.00 56.10 55.26 3hcb s TRP 221 Cb 0.06 0.40 0.03 0.00 -1.16 0.00 0.00 33.47 32.80 3hcb s TRP 221 CO 0.38 -0.71 0.38 1.52 -4.06 0.00 0.00 176.95 174.46 3hcb s TYR 222 N -2.89 -0.23 0.10 1.66 -0.85 -1.00 -3.04 117.35 111.10 3hcb s TYR 222 Ca -0.03 0.21 0.01 0.00 -0.52 0.00 0.00 57.07 56.74 3hcb s TYR 222 Cb -0.00 0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.47 3hcb s TYR 222 CO -0.05 -0.52 0.24 -0.51 -1.52 0.00 0.00 175.55 173.18 3hcb s LEU 223 N -1.86 4.35 -0.42 -3.49 1.43 0.02 -1.21 118.68 117.50 3hcb s LEU 223 Ca -0.07 0.23 0.09 0.00 -1.03 0.00 0.00 54.13 53.35 3hcb s LEU 223 Cb -0.02 -2.94 0.33 0.00 0.03 0.00 0.00 46.19 43.60 3hcb s LEU 223 CO -0.01 0.12 0.94 0.00 0.23 0.00 0.00 176.35 177.64 3hcb n ALA 224 N -0.05 0.50 0.00 4.21 0.00 -0.56 -4.80 120.51 119.81 3hcb n ALA 224 Ca -0.06 -2.35 0.00 0.00 0.00 0.00 0.00 53.44 51.03 3hcb n ALA 224 Cb 0.52 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3hcb n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hcb n GLY 225 N 0.32 0.93 0.09 0.00 0.00 -1.26 -1.11 105.19 104.16 3hcb n GLY 225 Ca 0.15 -0.97 0.13 0.00 0.00 0.00 0.00 46.02 45.32 3hcb n GLY 225 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hcb n GLU 226 N 5.99 0.20 -3.12 1.61 -0.58 -1.26 -4.77 120.64 118.71 3hcb n GLU 226 Ca 0.00 0.24 -0.39 0.00 -0.42 0.00 0.00 57.16 56.58 3hcb n GLU 226 Cb 0.00 -1.77 -0.05 0.00 -0.57 0.00 0.00 31.44 29.05 3hcb n GLU 226 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hcb s ALA 227 N -3.13 3.41 -0.26 0.62 0.00 -1.24 -4.99 121.76 116.16 3hcb s ALA 227 Ca 0.09 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.17 3hcb s ALA 227 Cb 0.12 -2.86 0.05 0.00 0.00 0.00 0.00 23.12 20.44 3hcb s ALA 227 CO 0.53 0.05 -0.09 0.50 0.00 0.00 0.00 175.76 176.75 3hcb s ARG 228 N 0.22 2.37 0.05 0.00 3.00 -1.26 -1.49 118.95 121.83 3hcb s ARG 228 Ca 0.34 -1.27 -0.11 0.00 -1.00 0.00 0.00 55.73 53.69 3hcb s ARG 228 Cb -0.18 -2.94 -0.06 0.00 0.00 0.00 0.00 34.95 31.77 3hcb s ARG 228 CO 0.18 -0.55 0.39 -0.51 0.00 0.00 0.00 175.30 174.81 3hcb s LEU 229 N 1.16 4.38 -0.01 -0.88 2.01 -0.35 -4.97 118.68 120.02 3hcb s LEU 229 Ca -0.07 0.81 -0.15 0.00 0.01 0.00 0.00 54.13 54.73 3hcb s LEU 229 Cb -0.19 -2.83 -0.06 0.00 0.01 0.00 0.00 46.19 43.12 3hcb s LEU 229 CO -0.05 0.23 0.42 -0.89 1.01 0.00 0.00 176.35 177.07 3hcb s THR 230 N -1.30 5.04 -0.00 5.49 2.01 -1.26 -2.37 115.64 123.25 3hcb s THR 230 Ca 0.30 0.86 0.05 0.00 0.31 0.00 0.00 61.69 63.21 3hcb s THR 230 Cb -0.14 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 3hcb s THR 230 CO 0.16 0.55 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.77 3hcb s VAL 231 N -0.85 1.38 -0.42 3.82 1.01 0.23 -4.66 120.40 120.91 3hcb s VAL 231 Ca 0.24 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 61.14 3hcb s VAL 231 Cb -0.17 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.08 3hcb s VAL 231 CO 0.13 0.34 1.02 0.54 0.00 0.00 0.00 175.10 177.14 3hcb s VAL 232 N -0.47 4.42 -0.31 2.92 0.11 -0.93 -4.23 120.40 121.90 3hcb s VAL 232 Ca 0.06 1.18 -0.28 0.00 -2.93 0.00 0.00 61.98 60.01 3hcb s VAL 232 Cb -0.07 -4.46 -0.03 0.00 -1.53 0.00 0.00 36.38 30.29 3hcb s VAL 232 CO -0.00 -0.76 1.91 -2.16 -3.33 0.00 0.00 175.10 170.75 3hcb s PRO 233 N 3.91 3.27 0.27 1.54 0.04 -0.93 -4.68 135.00 138.41 3hcb s PRO 233 Ca 0.42 1.57 0.07 0.00 0.04 0.00 0.00 61.00 63.10 3hcb s PRO 233 Cb -0.10 -4.25 -0.03 0.00 0.04 0.00 0.00 34.50 30.16 3hcb s PRO 233 CO 0.25 -1.94 0.21 0.14 0.04 0.00 0.00 177.00 175.69 3hcb s VAL 234 N 7.31 4.26 0.42 -0.36 -7.23 -1.26 -4.72 120.40 118.81 3hcb s VAL 234 Ca 0.85 -1.41 0.07 0.00 -1.81 0.00 0.00 61.98 59.68 3hcb s VAL 234 Cb -0.25 -3.35 -0.04 0.00 0.56 0.00 0.00 36.38 33.30 3hcb s VAL 234 CO 0.34 -0.32 0.20 -0.94 -0.31 0.00 0.00 175.10 174.07 3hcb s SER 235 N -3.87 4.47 0.18 4.85 1.04 -1.26 -0.20 113.70 118.92 3hcb s SER 235 Ca 0.34 -1.08 -0.12 0.00 0.48 0.00 0.00 55.95 55.57 3hcb s SER 235 Cb -0.07 -0.41 0.10 0.00 0.10 0.00 0.00 66.02 65.73 3hcb s SER 235 CO 0.25 -0.59 1.79 -0.08 0.98 0.00 0.00 173.24 175.59 3hcb h GLU 236 N 1.36 0.88 -0.59 4.02 4.81 -1.99 -0.90 114.58 122.18 3hcb h GLU 236 Ca -0.42 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 58.68 3hcb h GLU 236 Cb 1.26 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 3hcb h GLU 236 CO 0.68 0.68 0.30 0.93 -0.73 0.00 0.00 179.01 180.87 3hcb h GLU 237 N 0.86 0.83 -0.44 1.92 5.08 -1.99 -0.65 114.58 120.19 3hcb h GLU 237 Ca 0.22 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 3hcb h GLU 237 Cb 0.05 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3hcb h GLU 237 CO -0.03 0.66 -0.03 0.93 -1.00 0.00 0.00 179.01 179.54 3hcb h GLU 238 N 0.80 0.73 -0.22 2.33 5.08 -1.89 0.86 114.58 122.26 3hcb h GLU 238 Ca 0.20 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3hcb h GLU 238 Cb 0.09 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3hcb h GLU 238 CO -0.03 0.76 0.01 0.28 -1.00 0.00 0.00 179.01 179.03 3hcb h VAL 239 N 0.68 1.25 0.44 3.13 2.07 -0.86 -0.65 116.25 122.31 3hcb h VAL 239 Ca 0.13 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 3hcb h VAL 239 Cb 0.46 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3hcb h VAL 239 CO 0.02 0.27 -0.21 -0.09 0.02 0.00 0.00 177.57 177.58 3hcb h ARG 240 N 0.15 -0.57 -0.76 1.57 2.43 -0.77 -1.13 114.38 115.30 3hcb h ARG 240 Ca 0.06 0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.41 3hcb h ARG 240 Cb 0.39 0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 29.97 3hcb h ARG 240 CO 0.01 -0.38 0.32 0.93 -1.51 0.00 0.00 179.97 179.34 3hcb h GLU 241 N -0.59 0.46 -0.63 0.20 5.08 -0.83 -0.11 114.58 118.16 3hcb h GLU 241 Ca -0.06 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3hcb h GLU 241 Cb 0.45 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 3hcb h GLU 241 CO 0.10 0.31 0.27 0.00 -1.00 0.00 0.00 179.01 178.69 3hcb h ALA 242 N 1.54 1.29 -0.39 3.43 0.00 -0.73 -0.33 119.26 124.07 3hcb h ALA 242 Ca 0.41 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 3hcb h ALA 242 Cb 0.61 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3hcb h ALA 242 CO -0.39 0.54 -0.22 -0.07 0.00 0.00 0.00 179.25 179.11 3hcb h LEU 243 N 0.90 0.87 0.10 0.00 3.38 0.20 -1.24 115.31 119.52 3hcb h LEU 243 Ca 0.22 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3hcb h LEU 243 Cb 0.14 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3hcb h LEU 243 CO -0.02 1.09 -0.05 0.58 0.09 0.00 0.00 178.44 180.13 3hcb h VAL 244 N 0.64 0.98 -0.84 1.22 2.07 -0.77 -0.32 116.25 119.23 3hcb h VAL 244 Ca 0.08 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.42 3hcb h VAL 244 Cb 0.78 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 3hcb h VAL 244 CO 0.06 0.07 0.55 0.03 0.02 0.00 0.00 177.57 178.30 3hcb h ARG 245 N -0.26 0.83 0.00 1.57 3.08 -1.04 0.67 114.38 119.23 3hcb h ARG 245 Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3hcb h ARG 245 Cb 0.21 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3hcb h ARG 245 CO 0.02 0.55 0.00 0.43 -1.07 0.00 0.00 179.97 179.90 3hcb n SER 246 N -4.51 0.00 -0.01 7.04 7.64 -0.47 -4.86 113.62 118.44 3hcb n SER 246 Ca 0.14 0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.12 3hcb n SER 246 Cb 0.28 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 3hcb n SER 246 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hcb n GLY 247 N 0.59 1.66 3.68 0.23 0.00 0.23 -4.97 105.19 106.61 3hcb n GLY 247 Ca 0.09 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3hcb n GLY 247 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hcb s TYR 248 N -2.02 3.02 -0.16 1.61 2.02 -0.16 -2.51 117.35 119.15 3hcb s TYR 248 Ca 0.00 0.01 -0.17 0.00 -0.37 0.00 0.00 57.07 56.54 3hcb s TYR 248 Cb 0.00 -1.58 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 3hcb s TYR 248 CO 0.00 0.47 0.43 0.21 -1.57 0.00 0.00 175.55 175.09 3hcb s LYS 249 N -2.06 4.27 -0.55 -0.62 2.20 0.12 -4.11 119.74 118.99 3hcb s LYS 249 Ca 0.24 0.32 -0.24 0.00 -0.36 0.00 0.00 55.97 55.93 3hcb s LYS 249 Cb -0.12 -3.47 0.04 0.00 -1.51 0.00 0.00 37.83 32.77 3hcb s LYS 249 CO 0.16 0.09 0.95 0.08 -0.36 0.00 0.00 175.35 176.26 3hcb s VAL 250 N 0.89 4.38 0.07 4.02 1.01 -1.26 -0.16 120.40 129.35 3hcb s VAL 250 Ca 0.22 0.33 -0.12 0.00 0.00 0.00 0.00 61.98 62.42 3hcb s VAL 250 Cb -0.15 -4.54 -0.26 0.00 0.00 0.00 0.00 36.38 31.43 3hcb s VAL 250 CO 0.08 -1.11 1.16 0.03 0.00 0.00 0.00 175.10 175.27 3hcb h ARG 251 N 9.31 0.57 -2.34 2.72 2.47 -1.13 -3.47 114.38 122.50 3hcb h ARG 251 Ca -0.26 -0.72 -0.07 0.00 -1.26 0.00 0.00 59.98 57.67 3hcb h ARG 251 Cb 1.07 0.23 -0.23 0.00 -1.65 0.00 0.00 29.97 29.40 3hcb h ARG 251 CO 1.09 1.31 -0.06 0.34 0.56 0.00 0.00 179.97 183.21 3hcb s ASP 252 N -7.32 -0.63 -0.22 7.04 2.15 -0.82 -4.98 116.67 111.90 3hcb s ASP 252 Ca -0.08 1.18 -0.04 0.00 0.43 0.00 0.00 52.55 54.04 3hcb s ASP 252 Cb 0.07 1.16 0.11 0.00 -0.30 0.00 0.00 42.92 43.96 3hcb s ASP 252 CO 0.92 -0.20 0.33 -0.22 -0.17 0.00 0.00 175.17 175.82 3hcb s LEU 253 N 0.57 -0.46 0.22 -1.34 2.96 -1.25 0.87 118.68 120.24 3hcb s LEU 253 Ca -0.02 0.22 0.11 0.00 -0.22 0.00 0.00 54.13 54.22 3hcb s LEU 253 Cb -0.05 0.90 -0.05 0.00 0.50 0.00 0.00 46.19 47.50 3hcb s LEU 253 CO -0.03 -0.29 -0.21 -0.13 -1.32 0.00 0.00 176.35 174.36 3hcb s ARG 254 N 2.48 1.51 -0.05 1.98 0.52 0.62 -4.95 118.95 121.07 3hcb s ARG 254 Ca 0.09 -1.58 0.05 0.00 -0.52 0.00 0.00 55.73 53.77 3hcb s ARG 254 Cb -0.15 -1.69 -0.01 0.00 0.52 0.00 0.00 34.95 33.62 3hcb s ARG 254 CO -0.14 0.34 -0.22 0.99 0.02 0.00 0.00 175.30 176.30 3hcb s THR 255 N -2.07 1.78 -0.18 0.02 2.01 -1.26 -0.49 115.64 115.45 3hcb s THR 255 Ca 0.23 -0.92 -0.03 0.00 0.31 0.00 0.00 61.69 61.28 3hcb s THR 255 Cb -0.06 -1.52 -0.02 0.00 0.01 0.00 0.00 72.50 70.92 3hcb s THR 255 CO 0.11 0.50 -0.05 -0.47 -0.69 0.00 0.00 174.62 174.02 3hcb s TYR 256 N -0.10 2.95 -0.13 4.92 5.04 0.13 -4.96 117.35 125.20 3hcb s TYR 256 Ca -0.03 -0.66 -0.20 0.00 -2.44 0.00 0.00 57.07 53.74 3hcb s TYR 256 Cb -0.13 -2.02 -0.03 0.00 0.35 0.00 0.00 41.96 40.13 3hcb s TYR 256 CO 0.03 -0.32 0.59 0.42 -1.34 0.00 0.00 175.55 174.93 3hcb s ILE 257 N 0.93 5.09 -0.11 3.14 1.01 -1.26 0.18 121.20 130.18 3hcb s ILE 257 Ca -0.01 1.16 -0.29 0.00 0.00 0.00 0.00 60.65 61.51 3hcb s ILE 257 Cb -0.15 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 3hcb s ILE 257 CO 0.01 0.23 1.45 -0.32 0.00 0.00 0.00 174.94 176.31 3hcb s MET 258 N 1.14 4.21 0.74 2.79 -2.45 -0.67 -4.97 119.30 120.09 3hcb s MET 258 Ca 0.30 1.92 -0.11 0.00 -1.25 0.00 0.00 55.69 56.54 3hcb s MET 258 Cb -0.16 -3.87 0.04 0.00 1.25 0.00 0.00 34.83 32.09 3hcb s MET 258 CO 0.12 -0.77 1.09 -2.14 1.05 0.00 0.00 175.02 174.37 3hcb s PRO 259 N 3.73 2.44 0.21 4.11 0.02 -1.26 -4.92 135.00 139.33 3hcb s PRO 259 Ca 0.64 1.19 -0.10 0.00 0.02 0.00 0.00 61.00 62.75 3hcb s PRO 259 Cb -0.27 -1.92 0.28 0.00 0.02 0.00 0.00 34.50 32.61 3hcb s PRO 259 CO 0.22 -1.50 1.72 0.00 -0.33 0.00 0.00 177.00 177.11 3hcb h ALA 260 N -0.86 0.74 0.00 -1.55 0.00 -1.97 -1.96 119.26 113.66 3hcb h ALA 260 Ca -0.44 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3hcb h ALA 260 Cb 1.23 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3hcb h ALA 260 CO 0.52 -0.26 0.00 -2.39 0.00 0.00 0.00 179.25 177.13 3hcb n HIS 261 N -5.07 0.00 0.44 0.00 1.44 -1.26 -1.15 115.22 109.63 3hcb n HIS 261 Ca 0.09 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.91 3hcb n HIS 261 Cb 0.30 -0.48 0.18 0.00 0.12 0.00 0.00 29.99 30.11 3hcb n HIS 261 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3hcb n LEU 262 N -1.48 3.33 -4.46 2.39 4.77 -0.74 -4.75 117.00 116.06 3hcb n LEU 262 Ca 0.04 -1.39 -0.43 0.00 -0.03 0.00 0.00 56.01 54.19 3hcb n LEU 262 Cb 0.16 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 3hcb n LEU 262 CO 0.13 0.69 0.91 -1.10 -1.33 0.00 0.00 177.39 176.68 3hcb s GLN 263 N -1.57 3.37 0.00 3.23 -0.21 -0.30 -4.88 119.66 119.30 3hcb s GLN 263 Ca 0.36 -1.29 0.21 0.00 0.02 0.00 0.00 55.36 54.65 3hcb s GLN 263 Cb 0.22 -4.63 0.08 0.00 1.00 0.00 0.00 33.01 29.68 3hcb s GLN 263 CO 0.31 -1.82 1.08 0.25 -2.12 0.00 0.00 175.29 172.99 3hcb n THR 264 N 5.79 0.00 -0.83 -0.19 -2.24 -1.26 -4.96 114.28 110.59 3hcb n THR 264 Ca 0.12 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3hcb n THR 264 Cb 0.47 1.34 0.00 0.00 -2.10 0.00 0.00 70.33 70.04 3hcb n THR 264 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hcb n GLY 265 N 1.25 0.54 0.39 3.38 0.00 -1.26 -4.89 105.19 104.60 3hcb n GLY 265 Ca 0.10 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 45.87 3hcb n GLY 265 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hcb n VAL 266 N -2.83 0.00 -3.52 1.61 0.24 -1.26 -4.96 118.33 107.61 3hcb n VAL 266 Ca 0.00 -0.20 -0.00 0.00 -2.04 0.00 0.00 64.34 62.09 3hcb n VAL 266 Cb 0.00 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 3hcb n VAL 266 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3hcb n ASP 267 N -0.31 -0.26 -0.40 -1.34 5.68 -1.26 -0.80 116.55 117.86 3hcb n ASP 267 Ca 0.09 -1.13 0.03 0.00 -0.50 0.00 0.00 54.79 53.28 3hcb n ASP 267 Cb 0.43 0.42 0.05 0.00 -1.14 0.00 0.00 41.12 40.88 3hcb n ASP 267 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3hcb n ASP 268 N -0.66 0.80 -4.59 -1.12 3.85 -1.17 -4.83 116.55 108.82 3hcb n ASP 268 Ca -0.00 -2.37 -0.43 0.00 -0.71 0.00 0.00 54.79 51.27 3hcb n ASP 268 Cb 0.09 -0.28 -0.01 0.00 -1.35 0.00 0.00 41.12 39.57 3hcb n ASP 268 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 3hcb n VAL 269 N -0.45 2.10 -0.07 2.12 3.14 -1.26 -4.59 118.33 119.31 3hcb n VAL 269 Ca 0.06 -0.50 -0.07 0.00 -2.96 0.00 0.00 64.34 60.87 3hcb n VAL 269 Cb 0.70 -1.03 -0.10 0.00 -1.06 0.00 0.00 33.84 32.34 3hcb n VAL 269 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3hcb n LYS 270 N 0.55 1.71 -3.11 1.45 4.76 -0.82 -4.93 118.16 117.77 3hcb n LYS 270 Ca 0.09 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.47 3hcb n LYS 270 Cb 0.35 -1.35 0.02 0.00 -1.84 0.00 0.00 35.03 32.21 3hcb n LYS 270 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hcb n GLY 271 N 2.20 1.25 2.88 0.72 0.00 -1.21 -1.68 105.19 109.36 3hcb n GLY 271 Ca -0.23 -1.21 -0.15 0.00 0.00 0.00 0.00 46.02 44.44 3hcb n GLY 271 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hcb s VAL 272 N -2.33 0.17 0.11 1.61 1.01 0.13 -0.81 120.40 120.30 3hcb s VAL 272 Ca 0.12 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.11 3hcb s VAL 272 Cb -0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 3hcb s VAL 272 CO 0.09 0.08 0.01 0.72 0.00 0.00 0.00 175.10 175.99 3hcb s PHE 273 N 0.24 2.97 -0.08 5.22 -0.12 -0.48 0.18 117.98 125.91 3hcb s PHE 273 Ca -0.02 -0.05 0.02 0.00 -0.05 0.00 0.00 56.93 56.83 3hcb s PHE 273 Cb -0.04 -1.51 0.01 0.00 -0.63 0.00 0.00 43.02 40.85 3hcb s PHE 273 CO -0.01 0.49 -0.14 0.12 -0.05 0.00 0.00 175.22 175.63 3hcb s PHE 274 N -1.40 1.75 -0.05 3.49 5.36 0.36 -2.38 117.98 125.12 3hcb s PHE 274 Ca 0.26 -0.72 0.04 0.00 -0.96 0.00 0.00 56.93 55.55 3hcb s PHE 274 Cb -0.11 -1.26 -0.00 0.00 -0.34 0.00 0.00 43.02 41.30 3hcb s PHE 274 CO 0.19 -0.36 -0.17 0.00 -1.46 0.00 0.00 175.22 173.41 3hcb s ALA 275 N 0.76 1.57 -0.29 11.12 0.00 0.11 -0.28 121.76 134.76 3hcb s ALA 275 Ca -0.12 -0.70 -0.04 0.00 0.00 0.00 0.00 51.96 51.10 3hcb s ALA 275 Cb -0.16 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.46 3hcb s ALA 275 CO 0.02 0.27 0.02 -0.46 0.00 0.00 0.00 175.76 175.62 3hcb s TRP 276 N 0.09 3.15 0.01 0.00 -0.00 0.25 -0.81 118.94 121.63 3hcb s TRP 276 Ca -0.05 -1.37 0.06 0.00 -0.00 0.00 0.00 56.10 54.74 3hcb s TRP 276 Cb -0.12 -2.17 -0.02 0.00 -0.00 0.00 0.00 33.47 31.16 3hcb s TRP 276 CO 0.03 -0.68 -0.17 0.00 -0.00 0.00 0.00 176.95 176.12 3hcb s ALA 277 N 1.39 1.44 -0.12 5.86 0.00 -0.16 -0.47 121.76 129.70 3hcb s ALA 277 Ca 0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 3hcb s ALA 277 Cb -0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 3hcb s ALA 277 CO -0.00 0.33 -0.10 -1.14 0.00 0.00 0.00 175.76 174.85 3hcb s GLN 278 N -0.73 3.34 -0.09 0.00 0.74 0.77 -0.24 119.66 123.44 3hcb s GLN 278 Ca 0.06 -0.63 -0.30 0.00 0.05 0.00 0.00 55.36 54.55 3hcb s GLN 278 Cb -0.07 -2.69 -0.04 0.00 1.10 0.00 0.00 33.01 31.31 3hcb s GLN 278 CO 0.00 0.30 1.41 0.21 -0.55 0.00 0.00 175.29 176.66 3hcb s LYS 279 N 0.15 4.23 0.00 1.67 2.20 -0.61 0.16 119.74 127.54 3hcb s LYS 279 Ca -0.05 1.88 0.26 0.00 -0.36 0.00 0.00 55.97 57.70 3hcb s LYS 279 Cb -0.15 -3.79 1.54 0.00 -1.51 0.00 0.00 37.83 33.93 3hcb s LYS 279 CO 0.04 -0.71 1.89 1.55 -0.36 0.00 0.00 175.35 177.76