#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hcd n SER 25 N 0.00 0.50 0.25 0.00 7.64 -1.26 -0.02 113.62 120.73 3hcd n SER 25 Ca 0.00 0.73 0.07 0.00 1.01 0.00 0.00 58.87 60.68 3hcd n SER 25 Cb 0.00 -0.80 0.60 0.00 -1.01 0.00 0.00 64.21 63.01 3hcd n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hcd h ALA 26 N 2.02 1.85 0.00 -0.43 0.00 -2.03 -2.08 119.26 118.58 3hcd h ALA 26 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hcd h ALA 26 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hcd h ALA 26 CO 0.00 0.09 0.00 0.66 0.00 0.00 0.00 179.25 180.00 3hcd n TYR 27 N -4.40 0.42 1.34 0.00 4.02 0.97 -2.58 117.16 116.93 3hcd n TYR 27 Ca -0.03 0.18 0.13 0.00 -0.01 0.00 0.00 57.90 58.17 3hcd n TYR 27 Cb 0.15 -0.79 0.69 0.00 -0.02 0.00 0.00 39.34 39.37 3hcd n TYR 27 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3hcd n GLN 28 N -1.90 0.51 -0.01 -0.72 1.13 -0.78 -2.12 117.38 113.49 3hcd n GLN 28 Ca 0.02 0.03 0.01 0.00 -1.94 0.00 0.00 57.00 55.12 3hcd n GLN 28 Cb 0.15 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.02 3hcd n GLN 28 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3hcd n ARG 29 N -1.20 0.21 -1.68 -1.09 1.74 -1.07 -5.02 116.66 108.55 3hcd n ARG 29 Ca 0.14 -0.88 -0.47 0.00 -0.77 0.00 0.00 57.85 55.87 3hcd n ARG 29 Cb 0.17 -1.05 -0.04 0.00 -1.02 0.00 0.00 32.46 30.51 3hcd n ARG 29 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hcd n PHE 30 N 0.05 2.37 -3.61 -1.55 7.35 -0.90 -3.45 117.46 117.72 3hcd n PHE 30 Ca 0.02 -0.07 -0.40 0.00 -0.76 0.00 0.00 57.45 56.24 3hcd n PHE 30 Cb 0.12 -2.69 -0.10 0.00 0.35 0.00 0.00 39.48 37.16 3hcd n PHE 30 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3hcd s GLU 31 N 3.93 2.63 0.23 -4.13 2.02 -0.41 -5.00 118.70 117.97 3hcd s GLU 31 Ca 0.91 -1.40 -0.09 0.00 0.02 0.00 0.00 54.97 54.41 3hcd s GLU 31 Cb -0.63 -3.75 0.37 0.00 0.10 0.00 0.00 34.13 30.22 3hcd s GLU 31 CO 0.49 -0.91 1.64 -1.35 0.02 0.00 0.00 175.26 175.15 3hcd h PRO 32 N 8.40 0.08 -0.52 0.39 0.11 -1.92 -0.76 132.00 137.79 3hcd h PRO 32 Ca -0.23 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.85 3hcd h PRO 32 Cb 1.09 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3hcd h PRO 32 CO 0.74 0.06 0.22 0.00 -0.21 0.00 0.00 178.00 178.80 3hcd h ARG 33 N 0.09 0.73 -0.10 1.05 2.47 -1.96 0.71 114.38 117.37 3hcd h ARG 33 Ca 0.38 -0.10 -0.22 0.00 -1.26 0.00 0.00 59.98 58.77 3hcd h ARG 33 Cb 0.64 -0.14 0.01 0.00 -1.65 0.00 0.00 29.97 28.83 3hcd h ARG 33 CO -0.64 0.60 -0.83 0.00 0.56 0.00 0.00 179.97 179.66 3hcd h ALA 34 N 1.51 0.35 0.26 0.04 0.00 -1.59 -1.64 119.26 118.18 3hcd h ALA 34 Ca 0.18 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3hcd h ALA 34 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hcd h ALA 34 CO -0.02 0.71 -0.12 -0.92 0.00 0.00 0.00 179.25 178.90 3hcd h TYR 35 N 0.43 -0.32 -0.62 0.00 3.20 -0.49 0.58 116.97 119.75 3hcd h TYR 35 Ca -0.06 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.89 3hcd h TYR 35 Cb 1.45 0.11 -0.07 0.00 1.54 0.00 0.00 36.73 39.75 3hcd h TYR 35 CO 0.08 -0.12 0.25 -0.07 -1.64 0.00 0.00 178.16 176.66 3hcd h LEU 36 N -0.45 0.27 -1.23 2.82 3.38 -0.92 -1.23 115.31 117.94 3hcd h LEU 36 Ca -0.04 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3hcd h LEU 36 Cb 0.34 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3hcd h LEU 36 CO 0.06 0.16 -0.11 -0.09 0.09 0.00 0.00 178.44 178.54 3hcd h ARG 37 N 0.44 0.39 0.00 1.13 2.43 -1.05 0.54 114.38 118.25 3hcd h ARG 37 Ca 0.31 -0.10 -0.12 0.00 -0.81 0.00 0.00 59.98 59.26 3hcd h ARG 37 Cb 0.37 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3hcd h ARG 37 CO -0.30 0.51 -0.59 -0.91 -1.51 0.00 0.00 179.97 177.17 3hcd h ASN 38 N 0.36 0.00 0.00 -3.80 2.35 0.27 -3.31 115.58 111.46 3hcd h ASN 38 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3hcd h ASN 38 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3hcd h ASN 38 CO 0.02 0.59 -0.04 0.59 -1.65 0.00 0.00 177.43 176.94 3hcd n ASN 39 N -3.42 0.18 0.00 5.81 3.02 -0.76 -4.81 115.26 115.28 3hcd n ASN 39 Ca 0.00 -0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 3hcd n ASN 39 Cb 0.69 0.68 0.00 0.00 -0.61 0.00 0.00 39.78 40.54 3hcd n ASN 39 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3hcd n TYR 40 N -0.70 0.00 -4.33 3.10 4.02 0.19 -4.43 117.16 115.01 3hcd n TYR 40 Ca 0.00 -0.13 -0.25 0.00 -0.01 0.00 0.00 57.90 57.51 3hcd n TYR 40 Cb 0.00 -0.01 -0.09 0.00 -0.02 0.00 0.00 39.34 39.22 3hcd n TYR 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hcd s ALA 41 N -0.25 3.33 0.72 -0.72 0.00 -1.16 -4.37 121.76 119.31 3hcd s ALA 41 Ca 0.00 -2.10 -0.16 0.00 0.00 0.00 0.00 51.96 49.71 3hcd s ALA 41 Cb 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 23.12 22.91 3hcd s ALA 41 CO 0.00 -0.06 1.24 -2.14 0.00 0.00 0.00 175.76 174.80 3hcd s PRO 42 N -3.78 2.15 0.19 0.00 0.02 -1.26 -0.79 135.00 131.53 3hcd s PRO 42 Ca 0.37 1.88 0.03 0.00 0.02 0.00 0.00 61.00 63.30 3hcd s PRO 42 Cb 0.04 -1.82 0.07 0.00 0.02 0.00 0.00 34.50 32.81 3hcd s PRO 42 CO 0.20 -1.86 1.43 -1.00 -0.33 0.00 0.00 177.00 175.45 3hcd h PRO 43 N -0.14 0.23 0.00 5.54 0.13 -1.93 -3.43 132.00 132.40 3hcd h PRO 43 Ca -0.49 -0.21 -0.02 0.00 -0.87 0.00 0.00 66.00 64.41 3hcd h PRO 43 Cb 1.31 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.49 3hcd h PRO 43 CO 0.50 0.90 -0.10 0.00 -0.23 0.00 0.00 178.00 179.07 3hcd h ARG 44 N 0.14 0.00 -0.03 0.86 3.08 -1.84 -1.93 114.38 114.66 3hcd h ARG 44 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3hcd h ARG 44 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 3hcd h ARG 44 CO 0.12 0.10 0.00 0.41 -1.07 0.00 0.00 179.97 179.53 3hcd n GLY 45 N -0.73 0.53 3.52 0.04 0.00 0.03 -4.34 105.19 104.25 3hcd n GLY 45 Ca -0.02 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 3hcd n GLY 45 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hcd s ASP 46 N -1.98 6.29 0.00 1.61 3.68 -0.73 -4.56 116.67 120.99 3hcd s ASP 46 Ca 0.33 -0.44 0.20 0.00 2.13 0.00 0.00 52.55 54.77 3hcd s ASP 46 Cb 0.20 -2.47 0.77 0.00 -1.45 0.00 0.00 42.92 39.98 3hcd s ASP 46 CO 0.32 -1.40 1.55 0.18 0.13 0.00 0.00 175.17 175.95 3hcd n LEU 47 N 7.92 1.43 -0.24 -1.34 4.77 -1.26 -4.22 117.00 124.06 3hcd n LEU 47 Ca 0.02 -0.61 -0.06 0.00 -0.03 0.00 0.00 56.01 55.33 3hcd n LEU 47 Cb 0.47 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.51 3hcd n LEU 47 CO 0.66 0.30 1.07 0.00 -1.33 0.00 0.00 177.39 178.10 3hcd s ASN 49 N -6.02 7.06 0.55 0.00 3.84 -1.26 -4.92 114.94 114.19 3hcd s ASN 49 Ca -0.13 1.32 0.25 0.00 0.21 0.00 0.00 52.86 54.51 3hcd s ASN 49 Cb 0.14 -2.53 1.55 0.00 -0.55 0.00 0.00 41.25 39.86 3hcd s ASN 49 CO 0.79 -0.68 2.17 -0.65 -2.79 0.00 0.00 177.10 175.94 3hcd h PRO 50 N 7.53 0.00 -0.01 0.43 0.11 -1.95 -2.52 132.00 135.58 3hcd h PRO 50 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 3hcd h PRO 50 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3hcd h PRO 50 CO 0.98 0.05 0.00 0.09 -0.21 0.00 0.00 178.00 178.91 3hcd n ASN 51 N -3.98 0.20 -4.90 -2.05 3.02 -1.26 -4.49 115.26 101.80 3hcd n ASN 51 Ca -0.03 -1.34 -0.29 0.00 -0.03 0.00 0.00 54.58 52.89 3hcd n ASN 51 Cb 0.14 -0.01 0.06 0.00 -0.61 0.00 0.00 39.78 39.36 3hcd n ASN 51 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3hcd s GLY 52 N -1.70 1.62 0.25 7.41 0.00 -0.95 -4.95 107.32 109.00 3hcd s GLY 52 Ca 0.34 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.46 3hcd s GLY 52 CO 0.26 -0.18 1.68 -0.24 0.00 0.00 0.00 173.10 174.61 3hcd h VAL 53 N -0.74 1.27 0.88 1.40 3.04 -1.89 -2.60 116.25 117.60 3hcd h VAL 53 Ca -0.45 -1.34 -0.04 0.00 -1.01 0.00 0.00 66.70 63.85 3hcd h VAL 53 Cb 1.29 1.36 0.01 0.00 -2.01 0.00 0.00 31.29 31.94 3hcd h VAL 53 CO 0.64 0.43 -0.42 1.23 -1.01 0.00 0.00 177.57 178.44 3hcd h GLY 54 N 1.02 -1.23 0.25 3.17 0.00 -1.94 -0.95 103.07 103.39 3hcd h GLY 54 Ca 0.07 0.46 0.16 0.00 0.00 0.00 0.00 47.33 48.01 3hcd h GLY 54 CO 0.06 -0.45 0.57 -2.55 0.00 0.00 0.00 176.54 174.17 3hcd h PRO 55 N -1.24 0.78 0.37 4.80 0.11 -1.86 -0.33 132.00 134.63 3hcd h PRO 55 Ca -0.12 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 3hcd h PRO 55 Cb 0.91 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 3hcd h PRO 55 CO 0.20 0.51 -0.22 2.35 -0.21 0.00 0.00 178.00 180.63 3hcd h TRP 56 N 0.80 -0.57 -0.56 0.65 7.01 -1.34 0.68 115.95 122.62 3hcd h TRP 56 Ca 0.53 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.58 3hcd h TRP 56 Cb 0.71 0.20 -0.05 0.00 -2.10 0.00 0.00 29.16 27.92 3hcd h TRP 56 CO -0.03 -0.34 0.26 0.87 -2.79 0.00 0.00 178.44 176.41 3hcd h LYS 57 N -0.56 0.48 -0.72 2.65 1.57 -0.63 -1.40 116.57 117.95 3hcd h LYS 57 Ca -0.04 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 3hcd h LYS 57 Cb 0.46 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 3hcd h LYS 57 CO 0.05 0.32 0.26 -0.07 -0.57 0.00 0.00 179.45 179.43 3hcd h LEU 58 N 0.49 1.01 -0.42 2.94 3.38 -0.81 -2.52 115.31 119.39 3hcd h LEU 58 Ca 0.26 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3hcd h LEU 58 Cb 0.21 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3hcd h LEU 58 CO -0.21 0.91 0.14 0.03 0.09 0.00 0.00 178.44 179.41 3hcd h ARG 59 N 1.06 0.65 -0.37 1.13 3.08 -0.36 0.30 114.38 119.86 3hcd h ARG 59 Ca 0.24 -0.13 0.05 0.00 0.07 0.00 0.00 59.98 60.20 3hcd h ARG 59 Cb 0.24 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 3hcd h ARG 59 CO -0.02 0.63 0.10 0.00 -1.07 0.00 0.00 179.97 179.62 3hcd h LEU 61 N 0.24 0.57 0.03 0.00 3.38 -1.34 -2.03 115.31 116.16 3hcd h LEU 61 Ca 0.17 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hcd h LEU 61 Cb 0.17 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3hcd h LEU 61 CO -0.20 0.63 -0.02 0.00 0.09 0.00 0.00 178.44 178.94 3hcd h ALA 62 N 0.96 -0.05 -0.97 1.53 0.00 -0.51 -1.90 119.26 118.32 3hcd h ALA 62 Ca 0.12 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.04 3hcd h ALA 62 Cb 0.26 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 3hcd h ALA 62 CO -0.00 -0.41 0.61 1.96 0.00 0.00 0.00 179.25 181.41 3hcd h GLN 63 N -0.27 0.91 -0.01 0.00 4.20 -0.81 -0.57 115.11 118.56 3hcd h GLN 63 Ca -0.00 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3hcd h GLN 63 Cb 0.25 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 3hcd h GLN 63 CO 0.01 0.60 -0.00 1.15 -0.67 0.00 0.00 178.83 179.91 3hcd h THR 64 N 0.93 1.33 -0.05 -0.54 2.02 -1.12 -2.94 112.91 112.55 3hcd h THR 64 Ca 0.47 -0.99 -0.05 0.00 0.77 0.00 0.00 66.41 66.61 3hcd h THR 64 Cb 0.50 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 3hcd h THR 64 CO -0.24 0.26 -0.19 -0.26 0.37 0.00 0.00 175.52 175.46 3hcd h PHE 65 N -0.40 0.08 0.00 3.16 -1.00 -1.19 -2.80 116.94 114.79 3hcd h PHE 65 Ca 0.00 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.77 3hcd h PHE 65 Cb 0.43 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.96 3hcd h PHE 65 CO 0.07 0.27 0.00 0.00 -1.61 0.00 0.00 178.31 177.04 3hcd n ALA 66 N -2.50 1.86 0.20 2.45 0.00 -0.24 -1.62 120.51 120.67 3hcd n ALA 66 Ca -0.02 0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.49 3hcd n ALA 66 Cb 0.27 -1.40 0.42 0.00 0.00 0.00 0.00 19.45 18.74 3hcd n ALA 66 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3hcd h THR 67 N 0.00 1.19 -0.03 0.00 1.35 -1.33 -3.47 112.91 110.61 3hcd h THR 67 Ca 0.00 -1.04 -0.01 0.00 -0.55 0.00 0.00 66.41 64.81 3hcd h THR 67 Cb 0.46 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 3hcd h THR 67 CO 0.00 0.29 -0.01 0.61 -0.25 0.00 0.00 175.52 176.16 3hcd n GLY 68 N -0.64 0.48 0.04 5.82 0.00 -0.64 -4.87 105.19 105.38 3hcd n GLY 68 Ca -0.02 -0.30 0.10 0.00 0.00 0.00 0.00 46.02 45.81 3hcd n GLY 68 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hcd n GLU 69 N -2.68 0.11 -3.70 1.61 1.02 -1.26 -4.66 120.64 111.07 3hcd n GLU 69 Ca -0.01 -0.09 -0.38 0.00 -0.02 0.00 0.00 57.16 56.67 3hcd n GLU 69 Cb 0.06 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.88 3hcd n GLU 69 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hcd s VAL 70 N -2.95 3.64 0.13 2.62 1.01 -1.26 -5.03 120.40 118.55 3hcd s VAL 70 Ca 0.10 -2.10 -0.14 0.00 0.00 0.00 0.00 61.98 59.84 3hcd s VAL 70 Cb 0.16 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 33.12 3hcd s VAL 70 CO 0.81 -0.74 0.35 -0.94 0.00 0.00 0.00 175.10 174.58 3hcd s SER 71 N 1.94 -0.12 0.00 3.32 1.04 -1.26 -4.91 113.70 113.71 3hcd s SER 71 Ca 0.09 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.04 3hcd s SER 71 Cb -0.23 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.33 3hcd s SER 71 CO -0.03 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 173.95 3hcd n GLY 72 N -0.19 -0.53 0.04 7.32 0.00 -1.23 -4.94 105.19 105.65 3hcd n GLY 72 Ca -0.14 -0.87 -0.05 0.00 0.00 0.00 0.00 46.02 44.95 3hcd n GLY 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hcd n ARG 73 N 0.00 0.92 -4.46 1.61 0.63 -1.26 -4.42 116.66 109.68 3hcd n ARG 73 Ca 0.00 0.04 -0.29 0.00 -0.92 0.00 0.00 57.85 56.68 3hcd n ARG 73 Cb 0.00 -1.17 -0.13 0.00 0.45 0.00 0.00 32.46 31.60 3hcd n ARG 73 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3hcd s THR 74 N -2.17 2.18 -0.15 5.15 -4.23 -1.26 -0.88 115.64 114.28 3hcd s THR 74 Ca -0.09 -1.68 -0.13 0.00 -1.18 0.00 0.00 61.69 58.61 3hcd s THR 74 Cb 0.03 -1.93 0.04 0.00 1.34 0.00 0.00 72.50 71.98 3hcd s THR 74 CO 0.22 0.12 0.39 -0.22 -0.54 0.00 0.00 174.62 174.59 3hcd s LEU 75 N -1.91 0.45 -0.09 4.79 0.20 -0.13 -1.51 118.68 120.48 3hcd s LEU 75 Ca 0.13 0.79 0.03 0.00 0.69 0.00 0.00 54.13 55.77 3hcd s LEU 75 Cb -0.10 1.33 0.01 0.00 -0.43 0.00 0.00 46.19 47.00 3hcd s LEU 75 CO 0.05 -0.14 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.15 3hcd s ILE 76 N 0.34 1.68 -0.37 6.68 1.01 -0.90 -0.88 121.20 128.76 3hcd s ILE 76 Ca -0.01 -0.79 -0.13 0.00 0.00 0.00 0.00 60.65 59.72 3hcd s ILE 76 Cb -0.03 -1.48 0.01 0.00 0.01 0.00 0.00 42.46 40.97 3hcd s ILE 76 CO -0.01 0.48 0.25 -0.62 0.00 0.00 0.00 174.94 175.03 3hcd s ASP 77 N 0.51 5.95 -0.26 3.58 2.15 0.93 -1.61 116.67 127.92 3hcd s ASP 77 Ca -0.16 -0.74 -0.23 0.00 0.43 0.00 0.00 52.55 51.84 3hcd s ASP 77 Cb -0.17 -2.11 -0.01 0.00 -0.30 0.00 0.00 42.92 40.34 3hcd s ASP 77 CO 0.06 -0.35 0.77 -0.63 -0.17 0.00 0.00 175.17 174.85 3hcd s ILE 78 N 1.66 4.86 -0.71 4.11 -1.09 0.13 -1.89 121.20 128.27 3hcd s ILE 78 Ca 0.05 1.37 -0.01 0.00 -2.23 0.00 0.00 60.65 59.82 3hcd s ILE 78 Cb -0.18 -4.08 -0.02 0.00 -1.58 0.00 0.00 42.46 36.60 3hcd s ILE 78 CO 0.09 -0.09 0.60 0.61 -1.23 0.00 0.00 174.94 174.93 3hcd n GLY 79 N 3.96 -0.17 0.21 6.18 0.00 -1.17 -4.16 105.19 110.03 3hcd n GLY 79 Ca 0.04 0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.11 3hcd n GLY 79 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hcd h SER 80 N -1.00 0.00 0.00 1.61 0.02 0.57 -3.43 113.55 111.32 3hcd h SER 80 Ca -0.37 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3hcd h SER 80 Cb 1.20 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3hcd h SER 80 CO 0.30 0.27 0.00 0.61 -1.14 0.00 0.00 176.83 176.87 3hcd n GLY 81 N -0.76 1.80 1.68 -3.77 0.00 -1.25 -2.42 105.19 100.47 3hcd n GLY 81 Ca -0.02 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 3hcd n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hcd n PRO 82 N 7.70 2.01 -4.43 1.61 -0.05 -1.26 -4.66 135.00 135.92 3hcd n PRO 82 Ca 0.00 -1.83 -0.22 0.00 -0.05 0.00 0.00 63.50 61.40 3hcd n PRO 82 Cb 0.00 -1.75 -0.13 0.00 -0.05 0.00 0.00 33.50 31.56 3hcd n PRO 82 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 175.50 176.40 3hcd s THR 83 N -2.00 1.33 -0.07 0.52 -4.23 -1.02 -4.80 115.64 105.38 3hcd s THR 83 Ca 0.34 -1.12 0.05 0.00 -1.18 0.00 0.00 61.69 59.78 3hcd s THR 83 Cb 0.28 -1.19 -0.07 0.00 1.34 0.00 0.00 72.50 72.87 3hcd s THR 83 CO 0.07 0.05 0.13 1.33 -0.54 0.00 0.00 174.62 175.66 3hcd n VAL 84 N 1.79 0.00 -0.17 2.29 0.24 -1.26 -4.74 118.33 116.48 3hcd n VAL 84 Ca -0.18 -0.19 0.20 0.00 -2.04 0.00 0.00 64.34 62.13 3hcd n VAL 84 Cb 0.54 0.57 0.58 0.00 -1.47 0.00 0.00 33.84 34.06 3hcd n VAL 84 CO 0.00 0.00 0.00 0.10 -2.14 0.00 0.00 176.83 174.79 3hcd h TYR 85 N 0.00 0.34 0.00 6.34 -0.00 -1.97 0.27 116.97 121.94 3hcd h TYR 85 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.74 3hcd h TYR 85 Cb 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 36.73 36.81 3hcd h TYR 85 CO 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 178.16 178.27 3hcd n GLN 86 N -4.44 0.03 0.00 0.10 0.00 -1.26 -2.52 117.38 109.30 3hcd n GLN 86 Ca 0.16 0.43 0.03 0.00 0.00 0.00 0.00 57.00 57.62 3hcd n GLN 86 Cb 0.68 -1.58 0.00 0.00 0.00 0.00 0.00 30.24 29.34 3hcd n GLN 86 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3hcd n LEU 87 N -1.65 1.00 -0.29 2.61 4.77 0.93 -4.67 117.00 119.70 3hcd n LEU 87 Ca 0.01 -0.80 0.07 0.00 -0.03 0.00 0.00 56.01 55.25 3hcd n LEU 87 Cb 0.08 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.38 3hcd n LEU 87 CO 0.07 0.21 1.09 -0.07 -1.33 0.00 0.00 177.39 177.36 3hcd h LEU 88 N 0.70 0.49 0.00 2.23 3.38 -1.50 0.38 115.31 120.99 3hcd h LEU 88 Ca 0.00 0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 3hcd h LEU 88 Cb 0.20 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3hcd h LEU 88 CO 0.00 0.20 -1.39 0.28 0.09 0.00 0.00 178.44 177.62 3hcd h SER 89 N 0.59 0.00 -0.10 -0.43 0.02 -1.85 -3.36 113.55 108.43 3hcd h SER 89 Ca 0.45 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.29 3hcd h SER 89 Cb 0.64 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 3hcd h SER 89 CO -0.37 0.57 -0.31 0.00 -1.14 0.00 0.00 176.83 175.58 3hcd h ALA 90 N 1.43 0.94 -0.05 3.77 0.00 -1.50 -3.27 119.26 120.58 3hcd h ALA 90 Ca -0.16 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.37 3hcd h ALA 90 Cb 1.57 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 3hcd h ALA 90 CO 0.05 0.61 0.05 0.00 0.00 0.00 0.00 179.25 179.96 3hcd n SER 92 N -4.01 0.17 0.00 0.00 3.41 -1.23 -3.53 113.62 108.43 3hcd n SER 92 Ca -0.02 -1.37 0.00 0.00 -0.26 0.00 0.00 58.87 57.22 3hcd n SER 92 Cb 0.15 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3hcd n SER 92 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3hcd n HIS 93 N -0.72 0.00 -3.72 7.33 8.25 -0.17 -5.00 115.22 121.19 3hcd n HIS 93 Ca 0.16 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.45 3hcd n HIS 93 Cb 0.10 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.05 3hcd n HIS 93 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hcd s PHE 94 N -0.47 -0.02 -0.33 4.41 0.40 -1.22 -3.56 117.98 117.18 3hcd s PHE 94 Ca 0.00 0.30 0.23 0.00 -0.60 0.00 0.00 56.93 56.86 3hcd s PHE 94 Cb 0.00 -0.30 0.14 0.00 0.51 0.00 0.00 43.02 43.37 3hcd s PHE 94 CO 0.00 -0.16 1.24 1.05 0.70 0.00 0.00 175.22 178.05 3hcd h GLU 95 N 7.82 0.00 -4.87 0.44 4.11 -1.67 -3.43 114.58 116.99 3hcd h GLU 95 Ca -0.30 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.46 3hcd h GLU 95 Cb 1.12 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.01 3hcd h GLU 95 CO 0.31 0.00 -0.78 0.34 0.07 0.00 0.00 179.01 178.95 3hcd s ASP 96 N -5.50 4.44 -0.11 3.06 2.15 -0.06 -4.69 116.67 115.96 3hcd s ASP 96 Ca 0.02 -1.31 0.03 0.00 0.43 0.00 0.00 52.55 51.72 3hcd s ASP 96 Cb 0.09 -1.58 0.01 0.00 -0.30 0.00 0.00 42.92 41.13 3hcd s ASP 96 CO 0.75 -0.19 -0.20 -0.63 -0.17 0.00 0.00 175.17 174.73 3hcd s ILE 97 N 1.15 1.85 -0.17 4.11 1.01 -0.10 -0.96 121.20 128.09 3hcd s ILE 97 Ca -0.07 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 59.65 3hcd s ILE 97 Cb -0.19 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 3hcd s ILE 97 CO -0.05 0.51 0.01 -0.89 0.00 0.00 0.00 174.94 174.53 3hcd s THR 98 N 0.70 4.32 0.17 2.92 2.01 -0.06 -1.49 115.64 124.21 3hcd s THR 98 Ca -0.11 -0.20 0.05 0.00 0.31 0.00 0.00 61.69 61.73 3hcd s THR 98 Cb -0.16 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 3hcd s THR 98 CO 0.02 0.47 0.17 -0.04 -0.69 0.00 0.00 174.62 174.55 3hcd s MET 99 N 0.45 3.02 0.03 4.92 -1.94 -0.05 -0.05 119.30 125.68 3hcd s MET 99 Ca -0.00 -0.82 -0.11 0.00 -1.71 0.00 0.00 55.69 53.05 3hcd s MET 99 Cb -0.13 -2.71 0.01 0.00 2.01 0.00 0.00 34.83 34.01 3hcd s MET 99 CO 0.02 0.49 0.23 0.95 -0.01 0.00 0.00 175.02 176.69 3hcd s THR 100 N -1.77 0.10 0.13 2.05 -4.23 -0.79 0.20 115.64 111.32 3hcd s THR 100 Ca 0.32 -0.79 -0.25 0.00 -1.18 0.00 0.00 61.69 59.79 3hcd s THR 100 Cb -0.10 -0.87 0.07 0.00 1.34 0.00 0.00 72.50 72.94 3hcd s THR 100 CO 0.25 -0.44 0.77 -0.62 -0.54 0.00 0.00 174.62 174.04 3hcd s ASP 101 N -1.99 -0.38 0.07 3.99 2.15 -0.44 0.11 116.67 120.18 3hcd s ASP 101 Ca -0.06 -0.19 -0.07 0.00 0.43 0.00 0.00 52.55 52.66 3hcd s ASP 101 Cb -0.02 0.54 -0.28 0.00 -0.30 0.00 0.00 42.92 42.86 3hcd s ASP 101 CO -0.03 -0.92 1.12 0.15 -0.17 0.00 0.00 175.17 175.32 3hcd h PHE 102 N 2.00 0.64 -3.22 -5.34 3.57 -1.87 -2.44 116.94 110.27 3hcd h PHE 102 Ca -0.26 -0.45 -0.58 0.00 3.53 0.00 0.00 57.97 60.21 3hcd h PHE 102 Cb 1.26 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.93 3hcd h PHE 102 CO 0.30 1.34 -0.15 -0.51 -2.23 0.00 0.00 178.31 177.07 3hcd s LEU 103 N -7.33 4.37 0.08 0.59 1.43 -1.26 -4.72 118.68 111.83 3hcd s LEU 103 Ca -0.05 0.98 -0.20 0.00 -1.03 0.00 0.00 54.13 53.83 3hcd s LEU 103 Cb 0.06 -3.08 -0.10 0.00 0.03 0.00 0.00 46.19 43.10 3hcd s LEU 103 CO 0.90 0.16 1.54 -0.08 0.23 0.00 0.00 176.35 179.09 3hcd h GLU 104 N 3.78 0.33 -0.87 1.70 4.57 -2.00 -3.00 114.58 119.09 3hcd h GLU 104 Ca -0.49 -0.09 0.24 0.00 -1.18 0.00 0.00 59.36 57.84 3hcd h GLU 104 Cb 1.20 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.71 3hcd h GLU 104 CO 0.65 0.49 0.61 -0.39 -1.18 0.00 0.00 179.01 179.20 3hcd h VAL 105 N 0.12 0.59 0.08 0.32 -1.51 -1.96 0.16 116.25 114.05 3hcd h VAL 105 Ca 0.06 -0.04 -0.13 0.00 -1.23 0.00 0.00 66.70 65.36 3hcd h VAL 105 Cb 0.33 0.47 0.01 0.00 -2.13 0.00 0.00 31.29 29.98 3hcd h VAL 105 CO 0.01 0.02 -0.54 0.78 -1.23 0.00 0.00 177.57 176.60 3hcd h ASN 106 N 0.11 0.34 -1.00 4.19 -0.26 -1.89 -2.14 115.58 114.93 3hcd h ASN 106 Ca 0.43 -0.93 0.11 0.00 -0.56 0.00 0.00 56.30 55.35 3hcd h ASN 106 Cb 1.52 -0.11 -0.08 0.00 -1.06 0.00 0.00 38.32 38.59 3hcd h ASN 106 CO -0.06 1.24 0.63 0.03 -1.06 0.00 0.00 177.43 178.22 3hcd h ARG 107 N -0.51 0.98 -0.16 0.81 3.08 -0.98 0.22 114.38 117.83 3hcd h ARG 107 Ca -0.09 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.82 3hcd h ARG 107 Cb 1.40 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 3hcd h ARG 107 CO 0.10 0.65 -0.27 1.96 -1.07 0.00 0.00 179.97 181.34 3hcd h GLN 108 N 1.01 0.30 -0.05 0.04 4.20 -0.77 -0.18 115.11 119.66 3hcd h GLN 108 Ca 0.49 -0.11 -0.21 0.00 0.06 0.00 0.00 58.65 58.89 3hcd h GLN 108 Cb 0.45 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 3hcd h GLN 108 CO -0.25 0.55 -0.83 1.49 -0.67 0.00 0.00 178.83 179.12 3hcd h GLU 109 N 0.27 0.43 0.05 1.46 4.57 -0.25 -1.93 114.58 119.18 3hcd h GLU 109 Ca 0.04 -0.40 -0.00 0.00 -1.18 0.00 0.00 59.36 57.82 3hcd h GLU 109 Cb 0.63 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 3hcd h GLU 109 CO 0.05 1.05 -0.02 -0.07 -1.18 0.00 0.00 179.01 178.83 3hcd h LEU 110 N 0.27 -0.06 -0.91 1.64 3.38 -0.47 -3.03 115.31 116.14 3hcd h LEU 110 Ca -0.05 -0.17 0.23 0.00 0.09 0.00 0.00 57.88 57.98 3hcd h LEU 110 Cb 1.44 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 42.07 3hcd h LEU 110 CO 0.14 0.13 0.39 1.23 0.09 0.00 0.00 178.44 180.43 3hcd h GLY 111 N -0.25 1.57 1.99 0.83 0.00 -0.93 0.14 103.07 106.43 3hcd h GLY 111 Ca -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3hcd h GLY 111 CO 0.01 -0.31 -0.06 3.21 0.00 0.00 0.00 176.54 179.40 3hcd h ARG 112 N 0.36 0.01 0.11 4.80 3.08 -1.22 -0.96 114.38 120.57 3hcd h ARG 112 Ca 0.58 -0.00 -0.36 0.00 0.07 0.00 0.00 59.98 60.27 3hcd h ARG 112 Cb 1.14 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.17 3hcd h ARG 112 CO -0.56 0.07 -1.97 1.87 -1.07 0.00 0.00 179.97 178.31 3hcd n TRP 113 N -4.47 1.24 -0.36 3.04 -0.00 0.24 -1.21 117.44 115.92 3hcd n TRP 113 Ca -0.03 0.28 -0.02 0.00 -0.00 0.00 0.00 57.50 57.73 3hcd n TRP 113 Cb 0.14 -1.17 0.11 0.00 -0.00 0.00 0.00 31.31 30.40 3hcd n TRP 113 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 3hcd h LEU 114 N 0.07 1.10 -1.48 5.87 3.38 -0.68 -2.13 115.31 121.43 3hcd h LEU 114 Ca -0.41 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3hcd h LEU 114 Cb 2.03 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.52 3hcd h LEU 114 CO 0.09 0.78 0.00 0.00 0.09 0.00 0.00 178.44 179.40 3hcd n GLN 115 N -4.43 1.96 -2.16 1.13 1.13 -0.38 -4.91 117.38 109.72 3hcd n GLN 115 Ca 0.12 -1.46 -0.15 0.00 -1.94 0.00 0.00 57.00 53.57 3hcd n GLN 115 Cb 0.04 -1.40 -0.02 0.00 0.11 0.00 0.00 30.24 28.97 3hcd n GLN 115 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3hcd n GLU 116 N 0.68 -1.86 -0.66 -1.09 1.02 -0.80 -4.96 120.64 112.97 3hcd n GLU 116 Ca 0.16 0.78 -0.30 0.00 -0.02 0.00 0.00 57.16 57.78 3hcd n GLU 116 Cb 0.39 -5.31 0.26 0.00 -0.02 0.00 0.00 31.44 26.77 3hcd n GLU 116 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3hcd s GLU 117 N -4.57 -1.99 0.32 3.49 2.02 -0.35 -4.96 118.70 112.66 3hcd s GLU 117 Ca 0.00 0.18 -0.28 0.00 0.02 0.00 0.00 54.97 54.89 3hcd s GLU 117 Cb 0.00 -1.48 -0.09 0.00 0.10 0.00 0.00 34.13 32.65 3hcd s GLU 117 CO 0.00 -4.27 1.12 -2.14 0.02 0.00 0.00 175.26 170.00 3hcd s PRO 118 N -5.09 4.47 0.00 0.39 0.02 -1.26 -3.63 135.00 129.90 3hcd s PRO 118 Ca 0.69 1.82 0.00 0.00 0.02 0.00 0.00 61.00 63.53 3hcd s PRO 118 Cb -0.14 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3hcd s PRO 118 CO 0.58 0.05 0.00 0.41 -0.33 0.00 0.00 177.00 177.71 3hcd n GLY 119 N 0.96 0.60 3.74 0.52 0.00 -1.26 -5.01 105.19 104.74 3hcd n GLY 119 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 3hcd n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hcd s ALA 120 N -2.15 2.40 0.33 4.61 0.00 -1.24 -4.98 121.76 120.73 3hcd s ALA 120 Ca 0.00 1.05 -0.27 0.00 0.00 0.00 0.00 51.96 52.74 3hcd s ALA 120 Cb 0.00 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 3hcd s ALA 120 CO 0.00 -1.46 1.11 0.12 0.00 0.00 0.00 175.76 175.53 3hcd s PHE 121 N -1.61 3.40 -0.68 0.00 5.36 -1.26 -5.00 117.98 118.19 3hcd s PHE 121 Ca 0.79 1.65 -0.23 0.00 -0.96 0.00 0.00 56.93 58.17 3hcd s PHE 121 Cb -0.33 -3.29 0.06 0.00 -0.34 0.00 0.00 43.02 39.13 3hcd s PHE 121 CO 0.38 -0.76 1.02 1.21 -1.46 0.00 0.00 175.22 175.61 3hcd s ASN 122 N -1.06 6.18 0.00 6.13 2.47 -1.26 -4.86 114.94 122.54 3hcd s ASN 122 Ca 0.50 -0.91 0.26 0.00 0.42 0.00 0.00 52.86 53.13 3hcd s ASN 122 Cb -0.30 -2.44 0.96 0.00 -1.45 0.00 0.00 41.25 38.01 3hcd s ASN 122 CO 0.38 -1.51 1.69 0.79 -3.72 0.00 0.00 177.10 174.73 3hcd n TRP 123 N 8.00 0.05 -0.35 0.43 7.02 -1.26 -4.57 117.44 126.75 3hcd n TRP 123 Ca -0.02 -0.03 0.12 0.00 -1.02 0.00 0.00 57.50 56.56 3hcd n TRP 123 Cb 0.46 0.00 0.31 0.00 -2.42 0.00 0.00 31.31 29.67 3hcd n TRP 123 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3hcd h SER 124 N 2.41 0.80 -0.71 -0.99 4.64 -1.99 0.33 113.55 118.03 3hcd h SER 124 Ca 0.00 0.09 0.12 0.00 -0.47 0.00 0.00 61.79 61.53 3hcd h SER 124 Cb 0.51 -0.06 -0.09 0.00 -0.31 0.00 0.00 62.40 62.46 3hcd h SER 124 CO 0.00 0.30 0.29 0.24 -0.87 0.00 0.00 176.83 176.79 3hcd h MET 125 N 0.79 0.44 -0.29 4.77 2.86 -1.97 0.14 114.93 121.66 3hcd h MET 125 Ca 0.57 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 58.08 3hcd h MET 125 Cb 0.86 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 3hcd h MET 125 CO -0.36 0.29 -0.24 1.88 1.06 0.00 0.00 176.91 179.54 3hcd h TYR 126 N 0.45 0.80 -0.31 -0.22 -1.99 -0.71 -1.54 116.97 113.46 3hcd h TYR 126 Ca 0.38 -0.23 0.04 0.00 2.00 0.00 0.00 58.73 60.92 3hcd h TYR 126 Cb 0.53 -0.17 -0.04 0.00 2.00 0.00 0.00 36.73 39.05 3hcd h TYR 126 CO -0.16 0.95 0.07 0.77 -0.00 0.00 0.00 178.16 179.79 3hcd h SER 127 N 0.42 0.03 -0.42 3.88 0.02 -0.92 0.13 113.55 116.70 3hcd h SER 127 Ca 0.05 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3hcd h SER 127 Cb 0.79 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 3hcd h SER 127 CO 0.06 0.05 0.25 1.56 -1.14 0.00 0.00 176.83 177.61 3hcd h GLN 128 N 0.18 0.49 -0.42 3.45 4.20 -0.69 -1.32 115.11 121.00 3hcd h GLN 128 Ca 0.14 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.68 3hcd h GLN 128 Cb 0.15 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3hcd h GLN 128 CO -0.18 0.33 -0.31 0.45 -0.67 0.00 0.00 178.83 178.45 3hcd h HIS 129 N 0.51 1.11 -0.55 2.96 3.86 -0.81 0.00 115.15 122.23 3hcd h HIS 129 Ca 0.17 -0.30 0.07 0.00 -1.16 0.00 0.00 60.37 59.15 3hcd h HIS 129 Cb -0.00 -0.25 -0.06 0.00 1.06 0.00 0.00 27.41 28.16 3hcd h HIS 129 CO -0.07 1.12 0.22 0.00 0.86 0.00 0.00 177.93 180.06 3hcd h ALA 130 N 0.85 0.70 -0.52 2.45 0.00 -0.58 0.20 119.26 122.35 3hcd h ALA 130 Ca 0.08 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3hcd h ALA 130 Cb 0.89 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3hcd h ALA 130 CO 0.08 -0.17 0.16 0.00 0.00 0.00 0.00 179.25 179.32 3hcd h LEU 132 N 0.71 -0.15 -0.31 0.00 5.85 -0.51 -2.23 115.31 118.67 3hcd h LEU 132 Ca 0.17 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.85 3hcd h LEU 132 Cb 0.28 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3hcd h LEU 132 CO -0.01 -0.04 -0.21 0.40 -0.34 0.00 0.00 178.44 178.25 3hcd h ILE 133 N 0.05 1.29 0.00 4.05 2.04 -0.43 -3.02 117.51 121.50 3hcd h ILE 133 Ca 0.12 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 64.61 3hcd h ILE 133 Cb 0.16 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 3hcd h ILE 133 CO -0.22 0.43 -0.13 -0.33 0.00 0.00 0.00 178.15 177.91 3hcd h GLU 134 N 0.45 0.00 -1.66 2.37 5.08 -0.79 -3.46 114.58 116.57 3hcd h GLU 134 Ca 0.06 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.12 3hcd h GLU 134 Cb 0.76 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 3hcd h GLU 134 CO 0.06 0.13 -0.35 0.41 -1.00 0.00 0.00 179.01 178.26 3hcd n GLY 135 N -0.64 0.33 1.20 -3.84 0.00 -0.85 -4.89 105.19 96.51 3hcd n GLY 135 Ca -0.02 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.84 3hcd n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hcd n LYS 136 N -2.47 2.53 -1.29 1.61 5.02 -1.26 -4.94 118.16 117.36 3hcd n LYS 136 Ca -0.17 -2.35 -0.10 0.00 -2.02 0.00 0.00 58.31 53.67 3hcd n LYS 136 Cb 0.59 -1.52 -0.04 0.00 -0.02 0.00 0.00 35.03 34.03 3hcd n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hcd n GLY 137 N 1.55 1.07 3.77 0.72 0.00 -1.26 -4.97 105.19 106.06 3hcd n GLY 137 Ca 0.21 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3hcd n GLY 137 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hcd s GLU 138 N -2.64 4.42 0.44 1.61 2.12 -1.26 -5.04 118.70 118.34 3hcd s GLU 138 Ca 0.00 1.60 -0.10 0.00 0.36 0.00 0.00 54.97 56.83 3hcd s GLU 138 Cb 0.00 -2.85 -0.06 0.00 0.26 0.00 0.00 34.13 31.48 3hcd s GLU 138 CO 0.00 0.06 0.81 0.00 -0.54 0.00 0.00 175.26 175.59 3hcd h TRP 140 N 1.02 0.00 -0.71 0.00 5.08 -1.93 -2.60 115.95 116.81 3hcd h TRP 140 Ca -0.47 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.50 3hcd h TRP 140 Cb 1.19 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.31 3hcd h TRP 140 CO 0.61 0.49 0.46 1.96 -1.28 0.00 0.00 178.44 180.68 3hcd h GLN 141 N 0.00 0.94 -0.25 0.12 7.50 -1.95 -1.07 115.11 120.40 3hcd h GLN 141 Ca -0.00 -0.06 -0.15 0.00 0.50 0.00 0.00 58.65 58.93 3hcd h GLN 141 Cb 1.03 -0.21 -0.01 0.00 0.05 0.00 0.00 27.48 28.35 3hcd h GLN 141 CO 0.06 0.63 -0.45 -0.44 -1.50 0.00 0.00 178.83 177.13 3hcd h ASP 142 N 0.96 0.69 -0.08 1.46 3.32 -1.87 -1.13 116.42 119.77 3hcd h ASP 142 Ca 0.26 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3hcd h ASP 142 Cb -0.09 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 3hcd h ASP 142 CO -0.05 1.05 0.03 0.50 -1.72 0.00 0.00 179.24 179.04 3hcd h LYS 143 N 0.52 0.13 -0.35 3.56 1.63 -1.30 0.12 116.57 120.87 3hcd h LYS 143 Ca 0.03 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 3hcd h LYS 143 Cb 0.99 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.59 3hcd h LYS 143 CO 0.09 0.27 0.13 0.93 -3.45 0.00 0.00 179.45 177.42 3hcd h GLU 144 N -0.05 0.54 -0.74 1.90 5.08 -1.18 -0.65 114.58 119.48 3hcd h GLU 144 Ca 0.03 -0.11 0.09 0.00 -1.00 0.00 0.00 59.36 58.37 3hcd h GLU 144 Cb 0.20 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.29 3hcd h GLU 144 CO -0.00 0.55 0.39 -0.09 -1.00 0.00 0.00 179.01 178.85 3hcd h ARG 145 N 0.42 0.63 -0.29 2.33 2.43 -1.05 0.13 114.38 118.98 3hcd h ARG 145 Ca 0.12 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.12 3hcd h ARG 145 Cb 0.22 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3hcd h ARG 145 CO -0.01 0.42 -0.33 0.37 -1.51 0.00 0.00 179.97 178.91 3hcd h GLN 146 N 0.65 0.64 0.05 0.20 4.15 -0.28 -2.07 115.11 118.45 3hcd h GLN 146 Ca 0.36 -0.29 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 3hcd h GLN 146 Cb 0.37 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.05 3hcd h GLN 146 CO -0.26 0.88 -0.02 1.25 -1.93 0.00 0.00 178.83 178.75 3hcd h LEU 147 N 0.54 -0.05 -0.97 -2.39 5.85 -0.47 -1.87 115.31 115.95 3hcd h LEU 147 Ca 0.06 -0.24 0.08 0.00 0.84 0.00 0.00 57.88 58.62 3hcd h LEU 147 Cb 0.83 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.81 3hcd h LEU 147 CO 0.07 0.21 0.61 0.03 -0.34 0.00 0.00 178.44 179.02 3hcd h ARG 148 N -0.31 1.06 -0.26 1.25 3.08 -0.98 -1.61 114.38 116.60 3hcd h ARG 148 Ca -0.01 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 3hcd h ARG 148 Cb 0.28 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3hcd h ARG 148 CO 0.01 0.70 -0.34 0.00 -1.07 0.00 0.00 179.97 179.27 3hcd h ALA 149 N 1.46 0.93 0.00 0.04 0.00 -1.32 -3.23 119.26 117.14 3hcd h ALA 149 Ca 0.43 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hcd h ALA 149 Cb 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hcd h ALA 149 CO -0.19 0.62 -0.61 0.00 0.00 0.00 0.00 179.25 179.07 3hcd h ARG 150 N 0.47 0.00 -6.32 0.00 3.08 -0.62 -3.41 114.38 107.58 3hcd h ARG 150 Ca 0.05 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.57 3hcd h ARG 150 Cb 0.81 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.79 3hcd h ARG 150 CO 0.07 0.00 1.10 0.08 -1.07 0.00 0.00 179.97 180.14 3hcd s VAL 151 N -3.21 3.68 0.10 2.04 1.01 -0.67 -0.92 120.40 122.43 3hcd s VAL 151 Ca 0.05 0.38 -0.03 0.00 0.00 0.00 0.00 61.98 62.38 3hcd s VAL 151 Cb 0.12 -4.81 -0.25 0.00 0.00 0.00 0.00 36.38 31.44 3hcd s VAL 151 CO 0.72 -1.76 1.20 0.11 0.00 0.00 0.00 175.10 175.38 3hcd h LYS 152 N 10.57 0.27 -2.54 2.72 1.79 -1.51 -3.48 116.57 124.39 3hcd h LYS 152 Ca -0.27 -0.41 -0.09 0.00 -2.18 0.00 0.00 60.65 57.70 3hcd h LYS 152 Cb 1.06 0.14 -0.19 0.00 -1.58 0.00 0.00 32.23 31.66 3hcd h LYS 152 CO 1.27 1.16 -0.05 -0.98 -1.08 0.00 0.00 179.45 179.78 3hcd s ARG 153 N -2.83 0.87 -0.29 3.15 1.70 -1.25 -5.09 118.95 115.21 3hcd s ARG 153 Ca -0.04 0.02 0.02 0.00 -0.47 0.00 0.00 55.73 55.25 3hcd s ARG 153 Cb 0.08 0.40 0.07 0.00 -0.57 0.00 0.00 34.95 34.93 3hcd s ARG 153 CO 0.87 -0.26 -0.03 0.08 -1.08 0.00 0.00 175.30 174.88 3hcd s VAL 154 N -1.31 2.46 0.05 4.99 1.01 -1.26 -0.87 120.40 125.46 3hcd s VAL 154 Ca -0.12 -1.74 0.02 0.00 0.00 0.00 0.00 61.98 60.14 3hcd s VAL 154 Cb -0.03 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3hcd s VAL 154 CO 0.07 -0.20 0.05 -0.76 0.00 0.00 0.00 175.10 174.26 3hcd s LEU 155 N 1.10 3.73 0.64 3.92 1.43 0.13 -4.94 118.68 124.69 3hcd s LEU 155 Ca -0.03 0.01 -0.16 0.00 -1.03 0.00 0.00 54.13 52.91 3hcd s LEU 155 Cb -0.20 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.70 3hcd s LEU 155 CO -0.05 0.22 1.14 -2.16 0.23 0.00 0.00 176.35 175.73 3hcd s PRO 156 N -2.07 2.82 0.06 1.29 0.04 -1.26 -1.32 135.00 134.56 3hcd s PRO 156 Ca 0.25 1.54 -0.26 0.00 0.04 0.00 0.00 61.00 62.57 3hcd s PRO 156 Cb -0.12 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.55 3hcd s PRO 156 CO 0.17 -1.26 0.62 -1.50 0.04 0.00 0.00 177.00 175.07 3hcd s ILE 157 N -2.09 0.01 -0.22 0.56 2.07 -0.92 -4.75 121.20 115.85 3hcd s ILE 157 Ca 0.70 -0.04 -0.03 0.00 -1.41 0.00 0.00 60.65 59.87 3hcd s ILE 157 Cb -0.24 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.46 3hcd s ILE 157 CO 0.38 -0.02 0.25 -0.62 -1.91 0.00 0.00 174.94 173.02 3hcd s ASP 158 N -2.00 1.24 0.14 4.50 -1.08 -0.78 -3.66 116.67 115.03 3hcd s ASP 158 Ca -0.05 -0.21 0.20 0.00 -0.52 0.00 0.00 52.55 51.98 3hcd s ASP 158 Cb -0.01 0.50 0.84 0.00 -1.46 0.00 0.00 42.92 42.79 3hcd s ASP 158 CO -0.02 -0.33 1.62 1.33 0.52 0.00 0.00 175.17 178.29 3hcd n VAL 159 N 5.32 0.85 0.15 1.11 0.24 -1.26 -2.42 118.33 122.32 3hcd n VAL 159 Ca -0.05 0.20 0.02 0.00 -2.04 0.00 0.00 64.34 62.48 3hcd n VAL 159 Cb 0.49 -1.04 0.11 0.00 -1.47 0.00 0.00 33.84 31.93 3hcd n VAL 159 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 3hcd h HIS 160 N 0.00 0.00 -3.45 6.34 3.86 -1.95 -3.40 115.15 116.54 3hcd h HIS 160 Ca 0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 3hcd h HIS 160 Cb 0.34 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.84 3hcd h HIS 160 CO 0.00 0.52 0.60 -0.65 0.86 0.00 0.00 177.93 179.26 3hcd s GLN 161 N -3.14 4.45 0.61 2.45 -1.52 -1.02 -4.92 119.66 116.57 3hcd s GLN 161 Ca 0.02 1.95 0.38 0.00 -1.95 0.00 0.00 55.36 55.76 3hcd s GLN 161 Cb 0.09 -3.22 2.05 0.00 -0.22 0.00 0.00 33.01 31.71 3hcd s GLN 161 CO 0.73 -0.15 2.15 -1.35 -0.25 0.00 0.00 175.29 176.42 3hcd h PRO 162 N 5.25 0.00 -3.03 2.91 0.11 -1.88 -2.90 132.00 132.47 3hcd h PRO 162 Ca -0.45 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.05 3hcd h PRO 162 Cb 1.21 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.92 3hcd h PRO 162 CO 0.75 0.00 -0.72 -0.65 -0.21 0.00 0.00 178.00 177.18 3hcd s GLN 163 N -4.02 1.51 0.37 1.05 -0.21 -1.26 -4.87 119.66 112.22 3hcd s GLN 163 Ca -0.04 -2.26 0.08 0.00 0.02 0.00 0.00 55.36 53.16 3hcd s GLN 163 Cb 0.11 -2.57 0.80 0.00 1.00 0.00 0.00 33.01 32.35 3hcd s GLN 163 CO 0.34 -1.18 1.94 -1.35 -2.12 0.00 0.00 175.29 172.93 3hcd h PRO 164 N 6.49 0.67 0.00 2.91 0.11 -1.67 -1.88 132.00 138.63 3hcd h PRO 164 Ca 0.01 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.01 3hcd h PRO 164 Cb 0.90 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 3hcd h PRO 164 CO 0.54 0.44 -1.07 -0.07 -0.21 0.00 0.00 178.00 177.63 3hcd h LEU 165 N 0.69 0.00 0.00 2.35 3.38 -1.85 -2.08 115.31 117.80 3hcd h LEU 165 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3hcd h LEU 165 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3hcd h LEU 165 CO -0.12 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.29 3hcd n GLY 166 N 1.27 -0.18 0.04 0.83 0.00 -0.71 -4.72 105.19 101.72 3hcd n GLY 166 Ca -0.04 -2.21 -0.01 0.00 0.00 0.00 0.00 46.02 43.77 3hcd n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hcd h ALA 167 N 0.00 0.00 -2.10 4.61 0.00 -1.98 -3.42 119.26 116.37 3hcd h ALA 167 Ca 0.00 -0.10 -0.65 0.00 0.00 0.00 0.00 54.91 54.16 3hcd h ALA 167 Cb 0.00 0.09 -0.39 0.00 0.00 0.00 0.00 17.79 17.49 3hcd h ALA 167 CO 0.00 0.09 -0.25 0.41 0.00 0.00 0.00 179.25 179.49 3hcd n GLY 168 N 1.80 5.20 3.76 0.00 0.00 -1.26 -5.06 105.19 109.62 3hcd n GLY 168 Ca -0.01 -2.75 -0.40 0.00 0.00 0.00 0.00 46.02 42.86 3hcd n GLY 168 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hcd s SER 169 N -2.55 7.34 0.00 1.61 1.04 -1.26 -4.91 113.70 114.97 3hcd s SER 169 Ca 0.41 2.12 0.03 0.00 0.48 0.00 0.00 55.95 58.99 3hcd s SER 169 Cb 0.17 -2.61 0.18 0.00 0.10 0.00 0.00 66.02 63.85 3hcd s SER 169 CO -0.03 -0.08 0.88 -2.65 0.98 0.00 0.00 173.24 172.34 3hcd n PRO 170 N 1.12 0.06 -2.79 4.02 -0.02 -1.26 -4.73 135.00 131.39 3hcd n PRO 170 Ca -0.01 0.21 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 3hcd n PRO 170 Cb 0.46 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.41 3hcd n PRO 170 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hcd s ALA 171 N -2.47 3.57 -0.07 3.55 0.00 -1.26 -4.97 121.76 120.10 3hcd s ALA 171 Ca 0.04 0.10 -0.33 0.00 0.00 0.00 0.00 51.96 51.77 3hcd s ALA 171 Cb 0.02 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 3hcd s ALA 171 CO 0.05 -0.80 1.95 -2.30 0.00 0.00 0.00 175.76 174.66 3hcd n PRO 172 N 5.61 2.34 -4.47 0.00 -0.02 -1.26 -4.96 135.00 132.23 3hcd n PRO 172 Ca 0.07 0.84 -0.28 0.00 -2.02 0.00 0.00 63.50 62.11 3hcd n PRO 172 Cb 0.48 -2.79 -0.13 0.00 -0.02 0.00 0.00 33.50 31.03 3hcd n PRO 172 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hcd s LEU 173 N 4.65 2.28 0.35 2.45 1.43 -1.26 -3.71 118.68 124.86 3hcd s LEU 173 Ca 0.93 -0.69 -0.19 0.00 -1.03 0.00 0.00 54.13 53.14 3hcd s LEU 173 Cb -0.60 -1.14 -0.10 0.00 0.03 0.00 0.00 46.19 44.38 3hcd s LEU 173 CO 0.48 0.17 0.84 -2.16 0.23 0.00 0.00 176.35 175.90 3hcd s PRO 174 N -1.82 4.21 0.71 1.29 0.04 -1.26 -5.13 135.00 133.04 3hcd s PRO 174 Ca 0.12 0.96 -0.14 0.00 0.04 0.00 0.00 61.00 61.98 3hcd s PRO 174 Cb -0.10 -2.46 0.03 0.00 0.04 0.00 0.00 34.50 32.01 3hcd s PRO 174 CO 0.05 0.14 1.13 0.00 0.04 0.00 0.00 177.00 178.36 3hcd s ALA 175 N -1.93 2.28 -0.27 8.56 0.00 -0.04 -4.52 121.76 125.82 3hcd s ALA 175 Ca 0.55 0.57 0.18 0.00 0.00 0.00 0.00 51.96 53.26 3hcd s ALA 175 Cb -0.12 -3.35 0.17 0.00 0.00 0.00 0.00 23.12 19.82 3hcd s ALA 175 CO 0.17 -1.61 1.49 -0.44 0.00 0.00 0.00 175.76 175.37 3hcd h ASP 176 N -0.40 0.00 -5.00 0.00 3.45 -1.59 -0.94 116.42 111.94 3hcd h ASP 176 Ca -0.46 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 56.94 3hcd h ASP 176 Cb 1.26 0.00 -0.18 0.00 -0.56 0.00 0.00 39.33 39.84 3hcd h ASP 176 CO 0.52 0.29 0.16 0.00 -1.57 0.00 0.00 179.24 178.64 3hcd s ALA 177 N -3.07 -1.68 0.01 3.45 0.00 -1.15 -2.82 121.76 116.51 3hcd s ALA 177 Ca 0.05 1.16 0.08 0.00 0.00 0.00 0.00 51.96 53.25 3hcd s ALA 177 Cb 0.07 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 3hcd s ALA 177 CO 0.72 -0.40 -0.24 -0.51 0.00 0.00 0.00 175.76 175.32 3hcd s LEU 178 N -1.37 2.21 -0.04 0.00 1.43 0.16 -2.11 118.68 118.97 3hcd s LEU 178 Ca -0.10 -0.50 0.05 0.00 -1.03 0.00 0.00 54.13 52.55 3hcd s LEU 178 Cb -0.00 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.86 3hcd s LEU 178 CO 0.07 0.29 -0.18 -0.69 0.23 0.00 0.00 176.35 176.07 3hcd s VAL 179 N -0.74 1.48 -0.14 -1.59 1.01 -0.63 -0.51 120.40 119.28 3hcd s VAL 179 Ca 0.11 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.25 3hcd s VAL 179 Cb -0.10 -1.26 0.05 0.00 0.00 0.00 0.00 36.38 35.07 3hcd s VAL 179 CO 0.01 0.42 0.35 -0.55 0.00 0.00 0.00 175.10 175.33 3hcd s SER 180 N -0.05 -0.41 -0.11 3.32 0.15 -0.56 -0.69 113.70 115.35 3hcd s SER 180 Ca -0.02 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.37 3hcd s SER 180 Cb -0.11 0.66 0.02 0.00 -1.71 0.00 0.00 66.02 64.88 3hcd s SER 180 CO 0.02 -0.17 -0.09 0.00 1.20 0.00 0.00 173.24 174.21 3hcd s ALA 181 N 1.04 1.34 -1.41 5.45 0.00 -1.26 -0.96 121.76 125.96 3hcd s ALA 181 Ca -0.07 -0.54 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 3hcd s ALA 181 Cb -0.07 -0.86 0.03 0.00 0.00 0.00 0.00 23.12 22.21 3hcd s ALA 181 CO -0.08 -0.33 0.43 1.19 0.00 0.00 0.00 175.76 176.97 3hcd n PHE 182 N 4.75 -1.75 0.00 0.00 3.01 0.10 -4.91 117.46 118.66 3hcd n PHE 182 Ca -0.14 0.39 0.00 0.00 1.01 0.00 0.00 57.45 58.70 3hcd n PHE 182 Cb 0.50 -3.66 0.00 0.00 -0.01 0.00 0.00 39.48 36.31 3hcd n PHE 182 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hcd h LEU 184 N 0.00 -1.15 -2.15 0.00 3.38 -1.93 -0.38 115.31 113.09 3hcd h LEU 184 Ca 0.00 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.13 3hcd h LEU 184 Cb 0.00 0.45 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3hcd h LEU 184 CO 0.00 -0.32 0.29 1.05 0.09 0.00 0.00 178.44 179.55 3hcd h GLU 185 N -0.39 0.00 0.00 1.13 9.09 -1.90 0.66 114.58 123.16 3hcd h GLU 185 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 3hcd h GLU 185 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.55 3hcd h GLU 185 CO -0.29 0.00 -0.79 0.00 0.05 0.00 0.00 179.01 177.98 3hcd n ALA 186 N -2.05 3.39 0.40 1.06 0.00 -0.23 -1.48 120.51 121.61 3hcd n ALA 186 Ca -0.00 -0.36 0.05 0.00 0.00 0.00 0.00 53.44 53.12 3hcd n ALA 186 Cb 0.37 -1.05 0.03 0.00 0.00 0.00 0.00 19.45 18.81 3hcd n ALA 186 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3hcd n VAL 187 N -1.86 0.00 -4.22 0.00 0.24 0.16 -4.75 118.33 107.90 3hcd n VAL 187 Ca 0.03 -0.48 -0.34 0.00 -2.04 0.00 0.00 64.34 61.51 3hcd n VAL 187 Cb 0.41 1.18 -0.12 0.00 -1.47 0.00 0.00 33.84 33.84 3hcd n VAL 187 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3hcd s SER 188 N -0.88 4.99 0.54 -1.34 0.01 -0.79 -4.93 113.70 111.29 3hcd s SER 188 Ca 0.10 -0.11 0.30 0.00 1.31 0.00 0.00 55.95 57.56 3hcd s SER 188 Cb 0.08 -1.84 1.50 0.00 0.21 0.00 0.00 66.02 65.98 3hcd s SER 188 CO 0.14 0.14 2.07 1.55 0.41 0.00 0.00 173.24 177.55 3hcd h PRO 189 N 6.94 0.00 -2.71 12.44 0.13 -1.91 -3.28 132.00 143.60 3hcd h PRO 189 Ca -0.34 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.89 3hcd h PRO 189 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3hcd h PRO 189 CO 0.64 0.10 0.47 0.16 -0.23 0.00 0.00 178.00 179.14 3hcd s ASP 190 N -5.99 0.01 0.15 1.44 1.47 -1.26 -4.75 116.67 107.74 3hcd s ASP 190 Ca -0.02 -0.86 -0.20 0.00 1.18 0.00 0.00 52.55 52.65 3hcd s ASP 190 Cb 0.12 0.63 0.05 0.00 -0.34 0.00 0.00 42.92 43.38 3hcd s ASP 190 CO 0.56 -1.25 1.65 0.25 0.68 0.00 0.00 175.17 177.06 3hcd h LEU 191 N 2.00 -0.59 -0.84 2.11 6.46 -1.93 -1.73 115.31 120.78 3hcd h LEU 191 Ca -0.29 0.13 0.07 0.00 -0.12 0.00 0.00 57.88 57.66 3hcd h LEU 191 Cb 1.23 0.31 -0.06 0.00 -0.73 0.00 0.00 40.66 41.40 3hcd h LEU 191 CO 0.38 -0.21 0.51 0.00 -0.62 0.00 0.00 178.44 178.50 3hcd h ALA 192 N 1.04 1.17 -0.66 1.25 0.00 -1.99 0.75 119.26 120.82 3hcd h ALA 192 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3hcd h ALA 192 Cb 0.38 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3hcd h ALA 192 CO -0.38 0.22 0.18 0.77 0.00 0.00 0.00 179.25 180.04 3hcd h SER 193 N 0.91 0.98 -0.70 0.00 0.02 -1.85 -1.75 113.55 111.16 3hcd h SER 193 Ca 0.38 -0.22 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 3hcd h SER 193 Cb 0.22 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.46 3hcd h SER 193 CO -0.19 0.94 0.43 0.15 -1.14 0.00 0.00 176.83 177.02 3hcd h PHE 194 N 0.96 0.81 -0.77 3.45 3.57 -0.18 0.50 116.94 125.28 3hcd h PHE 194 Ca 0.21 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 3hcd h PHE 194 Cb 0.33 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 3hcd h PHE 194 CO 0.02 0.45 0.31 0.37 -2.23 0.00 0.00 178.31 177.23 3hcd h GLN 195 N 0.83 1.15 -0.10 1.11 5.75 -0.55 -1.89 115.11 121.41 3hcd h GLN 195 Ca 0.29 -0.21 -0.23 0.00 -0.15 0.00 0.00 58.65 58.35 3hcd h GLN 195 Cb 0.06 -0.19 0.01 0.00 1.07 0.00 0.00 27.48 28.43 3hcd h GLN 195 CO -0.12 0.94 -0.83 0.00 -2.65 0.00 0.00 178.83 176.16 3hcd h ARG 196 N 1.12 0.69 -0.90 1.69 3.08 -0.58 -2.05 114.38 117.43 3hcd h ARG 196 Ca 0.26 -0.61 0.08 0.00 0.07 0.00 0.00 59.98 59.78 3hcd h ARG 196 Cb 0.21 0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.33 3hcd h ARG 196 CO -0.02 1.21 0.56 0.00 -1.07 0.00 0.00 179.97 180.65 3hcd h ALA 197 N 0.60 1.28 -0.60 0.04 0.00 -0.81 0.60 119.26 120.37 3hcd h ALA 197 Ca -0.07 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3hcd h ALA 197 Cb 1.46 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3hcd h ALA 197 CO 0.16 0.25 0.26 1.25 0.00 0.00 0.00 179.25 181.18 3hcd h LEU 198 N 0.97 0.81 -0.70 0.00 5.85 -1.13 -2.14 115.31 118.96 3hcd h LEU 198 Ca 0.41 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 59.04 3hcd h LEU 198 Cb 0.28 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 3hcd h LEU 198 CO -0.21 0.74 0.40 0.44 -0.34 0.00 0.00 178.44 179.47 3hcd h ASP 199 N 0.83 0.61 0.10 1.25 3.32 -0.62 0.23 116.42 122.15 3hcd h ASP 199 Ca 0.20 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 3hcd h ASP 199 Cb 0.17 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3hcd h ASP 199 CO -0.02 0.40 -0.05 0.45 -1.72 0.00 0.00 179.24 178.29 3hcd h HIS 200 N 0.74 -0.13 0.00 4.55 3.86 -0.38 -2.70 115.15 121.09 3hcd h HIS 200 Ca 0.31 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.43 3hcd h HIS 200 Cb 0.17 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 3hcd h HIS 200 CO -0.07 0.01 -0.42 -0.84 0.86 0.00 0.00 177.93 177.48 3hcd h ILE 201 N -0.25 1.15 0.00 2.45 3.07 -1.28 -2.50 117.51 120.15 3hcd h ILE 201 Ca -0.01 -1.51 -0.01 0.00 1.55 0.00 0.00 64.86 64.87 3hcd h ILE 201 Cb 0.20 1.85 -0.00 0.00 -0.27 0.00 0.00 36.82 38.60 3hcd h ILE 201 CO 0.02 0.41 -0.06 0.74 -1.05 0.00 0.00 178.15 178.21 3hcd h THR 202 N 0.00 0.75 0.00 0.16 2.02 -0.63 -0.13 112.91 115.08 3hcd h THR 202 Ca -0.00 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 3hcd h THR 202 Cb 0.82 1.14 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 3hcd h THR 202 CO 0.05 0.06 -0.08 0.71 0.37 0.00 0.00 175.52 176.64 3hcd h THR 203 N 0.00 0.58 0.00 3.16 1.35 -1.22 -2.28 112.91 114.50 3hcd h THR 203 Ca -0.00 -0.34 -0.03 0.00 -0.55 0.00 0.00 66.41 65.49 3hcd h THR 203 Cb 0.14 1.22 -0.00 0.00 -1.73 0.00 0.00 68.15 67.77 3hcd h THR 203 CO 0.01 0.08 -0.14 -0.07 -0.25 0.00 0.00 175.52 175.14 3hcd h LEU 204 N 0.00 0.00 -9.09 3.87 3.38 -1.14 -3.44 115.31 108.88 3hcd h LEU 204 Ca -0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 3hcd h LEU 204 Cb 0.21 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.85 3hcd h LEU 204 CO 0.01 0.14 -0.02 -0.22 0.09 0.00 0.00 178.44 178.44 3hcd s LEU 205 N -6.41 4.13 0.42 1.67 2.96 -0.86 -0.86 118.68 119.72 3hcd s LEU 205 Ca 0.03 0.66 -0.25 0.00 -0.22 0.00 0.00 54.13 54.35 3hcd s LEU 205 Cb 0.08 -2.72 -0.10 0.00 0.50 0.00 0.00 46.19 43.96 3hcd s LEU 205 CO 0.64 -0.21 1.15 -1.14 -1.32 0.00 0.00 176.35 175.47 3hcd n ARG 206 N 4.96 1.65 -1.71 1.98 0.63 -0.36 -4.88 116.66 118.94 3hcd n ARG 206 Ca -0.04 0.59 -0.43 0.00 -0.92 0.00 0.00 57.85 57.04 3hcd n ARG 206 Cb 0.50 -2.23 -0.02 0.00 0.45 0.00 0.00 32.46 31.16 3hcd n ARG 206 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3hcd n PRO 207 N 0.06 2.36 -0.63 -0.14 -0.02 -1.26 -0.93 135.00 134.45 3hcd n PRO 207 Ca 0.08 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 3hcd n PRO 207 Cb 0.39 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3hcd n PRO 207 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hcd n GLY 208 N 2.17 1.22 3.90 -1.23 0.00 0.16 -5.01 105.19 106.40 3hcd n GLY 208 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3hcd n GLY 208 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hcd s GLY 209 N -1.84 1.70 -0.06 -0.02 0.00 -0.10 -4.70 107.32 102.30 3hcd s GLY 209 Ca 0.00 -0.97 0.05 0.00 0.00 0.00 0.00 44.72 43.80 3hcd s GLY 209 CO 0.00 -0.30 -0.21 0.30 0.00 0.00 0.00 173.10 172.89 3hcd s HIS 210 N -3.72 2.54 -0.14 1.90 3.76 -1.13 -1.27 115.29 117.24 3hcd s HIS 210 Ca 0.69 -0.49 -0.03 0.00 -0.15 0.00 0.00 55.06 55.09 3hcd s HIS 210 Cb -0.07 -1.62 -0.03 0.00 1.11 0.00 0.00 32.58 31.97 3hcd s HIS 210 CO 0.52 -0.06 -0.05 -1.17 -0.85 0.00 0.00 174.74 173.13 3hcd s LEU 211 N -0.35 3.19 -0.30 0.89 2.96 0.78 0.40 118.68 126.25 3hcd s LEU 211 Ca 0.03 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.80 3hcd s LEU 211 Cb -0.12 -1.75 0.06 0.00 0.50 0.00 0.00 46.19 44.87 3hcd s LEU 211 CO 0.02 0.21 0.00 -0.76 -1.32 0.00 0.00 176.35 174.50 3hcd s LEU 212 N 0.13 3.95 -0.19 -0.68 1.43 0.34 -0.95 118.68 122.70 3hcd s LEU 212 Ca -0.02 -1.35 -0.03 0.00 -1.03 0.00 0.00 54.13 51.71 3hcd s LEU 212 Cb -0.14 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 3hcd s LEU 212 CO 0.03 -0.27 -0.07 -0.22 0.23 0.00 0.00 176.35 176.05 3hcd s LEU 213 N 1.22 2.87 -0.01 1.79 2.96 -0.06 -1.50 118.68 125.94 3hcd s LEU 213 Ca -0.04 -0.36 0.04 0.00 -0.22 0.00 0.00 54.13 53.55 3hcd s LEU 213 Cb -0.20 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 3hcd s LEU 213 CO -0.02 0.04 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.29 3hcd s ILE 214 N 1.13 3.15 0.17 6.68 1.01 -0.14 0.05 121.20 133.25 3hcd s ILE 214 Ca 0.01 -0.86 -0.24 0.00 0.00 0.00 0.00 60.65 59.57 3hcd s ILE 214 Cb -0.15 -2.30 0.06 0.00 0.01 0.00 0.00 42.46 40.09 3hcd s ILE 214 CO -0.01 0.47 0.72 -0.83 0.00 0.00 0.00 174.94 175.29 3hcd s GLY 215 N -1.10 -0.40 0.21 6.18 0.00 -0.82 -0.72 107.32 110.66 3hcd s GLY 215 Ca 0.14 0.31 -0.25 0.00 0.00 0.00 0.00 44.72 44.92 3hcd s GLY 215 CO 0.04 0.10 0.81 0.00 0.00 0.00 0.00 173.10 174.05 3hcd s ALA 216 N -3.64 3.40 -0.15 3.20 0.00 -1.26 -1.03 121.76 122.28 3hcd s ALA 216 Ca 0.06 0.38 -0.05 0.00 0.00 0.00 0.00 51.96 52.35 3hcd s ALA 216 Cb -0.02 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 3hcd s ALA 216 CO -0.05 0.27 0.03 -0.51 0.00 0.00 0.00 175.76 175.51 3hcd s LEU 217 N -1.43 3.70 -1.61 0.00 1.43 0.79 -4.59 118.68 116.96 3hcd s LEU 217 Ca 0.40 0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 53.43 3hcd s LEU 217 Cb -0.22 -1.90 0.12 0.00 0.03 0.00 0.00 46.19 44.22 3hcd s LEU 217 CO 0.26 0.24 0.84 -0.62 0.23 0.00 0.00 176.35 177.30 3hcd n GLU 218 N 3.07 -4.16 -3.96 1.70 -0.58 0.12 -2.01 120.64 114.82 3hcd n GLU 218 Ca -0.17 0.47 -0.32 0.00 -0.42 0.00 0.00 57.16 56.71 3hcd n GLU 218 Cb 0.53 -5.22 -0.05 0.00 -0.57 0.00 0.00 31.44 26.13 3hcd n GLU 218 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3hcd s GLU 219 N -6.76 3.31 0.00 3.49 2.12 -1.26 -4.21 118.70 115.39 3hcd s GLU 219 Ca 0.65 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 55.54 3hcd s GLU 219 Cb -0.34 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.06 3hcd s GLU 219 CO 0.88 0.63 0.00 -1.13 -0.54 0.00 0.00 175.26 175.11 3hcd n SER 220 N 0.69 1.63 -3.57 -1.70 3.41 -1.26 -2.13 113.62 110.69 3hcd n SER 220 Ca -0.09 -0.15 -0.11 0.00 -0.26 0.00 0.00 58.87 58.26 3hcd n SER 220 Cb 0.52 0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 65.05 3hcd n SER 220 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 3hcd s TRP 221 N -0.95 -0.32 0.06 7.33 1.48 -1.26 0.14 118.94 125.42 3hcd s TRP 221 Ca 0.00 0.08 -0.17 0.00 -1.06 0.00 0.00 56.10 54.95 3hcd s TRP 221 Cb 0.00 0.34 0.03 0.00 -1.16 0.00 0.00 33.47 32.69 3hcd s TRP 221 CO 0.00 -0.73 0.40 1.52 -4.06 0.00 0.00 176.95 174.09 3hcd s TYR 222 N -3.56 -0.24 -0.08 1.66 -0.85 -0.61 -3.18 117.35 110.48 3hcd s TYR 222 Ca 0.01 0.15 -0.03 0.00 -0.52 0.00 0.00 57.07 56.68 3hcd s TYR 222 Cb 0.01 0.21 -0.04 0.00 0.38 0.00 0.00 41.96 42.52 3hcd s TYR 222 CO -0.11 -0.58 0.07 -0.51 -1.52 0.00 0.00 175.55 172.90 3hcd s LEU 223 N -2.13 3.95 -0.46 -3.49 1.43 -0.18 -1.36 118.68 116.43 3hcd s LEU 223 Ca -0.04 0.27 0.08 0.00 -1.03 0.00 0.00 54.13 53.41 3hcd s LEU 223 Cb -0.00 -2.01 0.29 0.00 0.03 0.00 0.00 46.19 44.50 3hcd s LEU 223 CO -0.04 0.37 0.69 0.00 0.23 0.00 0.00 176.35 177.60 3hcd n ALA 224 N 1.88 2.97 0.00 4.21 0.00 -0.72 -4.70 120.51 124.15 3hcd n ALA 224 Ca -0.18 -3.86 0.00 0.00 0.00 0.00 0.00 53.44 49.40 3hcd n ALA 224 Cb 0.54 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.14 3hcd n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hcd n GLY 225 N 0.73 1.51 0.16 0.00 0.00 -1.26 -1.29 105.19 105.04 3hcd n GLY 225 Ca 0.25 -0.69 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 3hcd n GLY 225 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hcd h GLU 226 N 0.00 0.12 -6.99 1.61 4.39 -1.97 -3.45 114.58 108.30 3hcd h GLU 226 Ca 0.00 -0.08 -0.50 0.00 0.34 0.00 0.00 59.36 59.12 3hcd h GLU 226 Cb 0.00 0.01 0.05 0.00 -0.10 0.00 0.00 28.75 28.70 3hcd h GLU 226 CO 0.00 0.65 0.46 0.00 -1.16 0.00 0.00 179.01 178.96 3hcd s ALA 227 N -3.80 3.02 -0.29 3.43 0.00 -1.22 -5.02 121.76 117.87 3hcd s ALA 227 Ca -0.03 0.84 -0.02 0.00 0.00 0.00 0.00 51.96 52.76 3hcd s ALA 227 Cb 0.13 -3.34 0.10 0.00 0.00 0.00 0.00 23.12 20.00 3hcd s ALA 227 CO 0.77 -0.48 0.09 0.50 0.00 0.00 0.00 175.76 176.65 3hcd s ARG 228 N -2.61 0.62 -0.01 0.00 3.00 -1.26 -1.75 118.95 116.94 3hcd s ARG 228 Ca 0.61 -0.90 -0.17 0.00 -1.00 0.00 0.00 55.73 54.26 3hcd s ARG 228 Cb -0.26 -1.86 -0.06 0.00 0.00 0.00 0.00 34.95 32.77 3hcd s ARG 228 CO 0.32 -0.95 0.49 -0.51 0.00 0.00 0.00 175.30 174.65 3hcd s LEU 229 N 1.73 4.44 0.23 -0.88 2.01 -0.47 -4.95 118.68 120.79 3hcd s LEU 229 Ca 0.08 1.03 -0.19 0.00 0.01 0.00 0.00 54.13 55.07 3hcd s LEU 229 Cb -0.17 -2.73 -0.08 0.00 0.01 0.00 0.00 46.19 43.22 3hcd s LEU 229 CO -0.25 0.21 0.71 -0.89 1.01 0.00 0.00 176.35 177.14 3hcd s THR 230 N -0.60 4.60 -0.02 5.49 2.01 -1.26 -1.57 115.64 124.29 3hcd s THR 230 Ca 0.26 1.20 0.02 0.00 0.31 0.00 0.00 61.69 63.49 3hcd s THR 230 Cb -0.17 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.52 3hcd s THR 230 CO 0.15 0.16 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.47 3hcd s VAL 231 N -1.58 0.63 -0.33 3.82 1.01 0.12 -4.67 120.40 119.41 3hcd s VAL 231 Ca 0.44 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.84 3hcd s VAL 231 Cb -0.16 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.67 3hcd s VAL 231 CO 0.20 0.20 1.29 0.54 0.00 0.00 0.00 175.10 177.34 3hcd s VAL 232 N 0.12 4.13 -0.02 2.92 0.11 -0.55 -4.17 120.40 122.95 3hcd s VAL 232 Ca -0.01 1.25 -0.30 0.00 -2.93 0.00 0.00 61.98 59.99 3hcd s VAL 232 Cb -0.07 -4.21 -0.07 0.00 -1.53 0.00 0.00 36.38 30.51 3hcd s VAL 232 CO 0.00 -0.56 1.71 -2.16 -3.33 0.00 0.00 175.10 170.76 3hcd s PRO 233 N 4.27 4.18 0.25 1.54 0.04 -0.91 -4.66 135.00 139.72 3hcd s PRO 233 Ca 0.56 2.28 0.10 0.00 0.04 0.00 0.00 61.00 63.98 3hcd s PRO 233 Cb -0.15 -3.96 -0.05 0.00 0.04 0.00 0.00 34.50 30.37 3hcd s PRO 233 CO 0.25 -0.85 -0.16 0.14 0.04 0.00 0.00 177.00 176.41 3hcd s VAL 234 N 3.92 2.12 0.42 -0.36 -7.23 -1.26 -4.79 120.40 113.23 3hcd s VAL 234 Ca 0.76 -2.31 0.07 0.00 -1.81 0.00 0.00 61.98 58.69 3hcd s VAL 234 Cb -0.36 -2.22 -0.06 0.00 0.56 0.00 0.00 36.38 34.31 3hcd s VAL 234 CO 0.32 -0.47 0.12 -0.94 -0.31 0.00 0.00 175.10 173.82 3hcd s SER 235 N -3.43 4.22 0.22 4.85 1.04 -1.26 0.13 113.70 119.47 3hcd s SER 235 Ca 0.27 -1.23 -0.08 0.00 0.48 0.00 0.00 55.95 55.38 3hcd s SER 235 Cb -0.02 -0.34 0.21 0.00 0.10 0.00 0.00 66.02 65.97 3hcd s SER 235 CO 0.12 -0.56 1.88 -0.08 0.98 0.00 0.00 173.24 175.58 3hcd h GLU 236 N 1.51 1.04 -0.38 4.02 4.81 -1.99 -1.87 114.58 121.73 3hcd h GLU 236 Ca -0.43 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 58.59 3hcd h GLU 236 Cb 1.25 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 3hcd h GLU 236 CO 0.74 0.69 -0.34 0.93 -0.73 0.00 0.00 179.01 180.29 3hcd h GLU 237 N 1.07 0.86 -0.66 1.92 4.39 -1.99 -0.58 114.58 119.59 3hcd h GLU 237 Ca 0.31 -0.42 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 3hcd h GLU 237 Cb -0.06 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 3hcd h GLU 237 CO -0.09 1.06 0.39 0.93 -1.16 0.00 0.00 179.01 180.14 3hcd h GLU 238 N 0.71 0.89 -0.09 2.33 5.08 -1.91 0.91 114.58 122.51 3hcd h GLU 238 Ca 0.07 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3hcd h GLU 238 Cb 0.90 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 3hcd h GLU 238 CO 0.08 0.63 -0.08 0.28 -1.00 0.00 0.00 179.01 178.92 3hcd h VAL 239 N 0.91 1.35 -0.38 3.13 2.07 -0.95 -1.47 116.25 120.92 3hcd h VAL 239 Ca 0.24 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.57 3hcd h VAL 239 Cb -0.03 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3hcd h VAL 239 CO -0.04 0.34 0.23 -0.09 0.02 0.00 0.00 177.57 178.02 3hcd h ARG 240 N -0.19 0.46 -0.76 1.57 2.43 -0.87 -1.53 114.38 115.48 3hcd h ARG 240 Ca 0.02 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3hcd h ARG 240 Cb 0.57 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 3hcd h ARG 240 CO 0.02 0.30 0.43 0.93 -1.51 0.00 0.00 179.97 180.14 3hcd h GLU 241 N 0.47 1.05 -0.01 0.20 5.08 -0.79 -0.59 114.58 119.99 3hcd h GLU 241 Ca 0.15 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 3hcd h GLU 241 Cb -0.02 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3hcd h GLU 241 CO -0.06 0.76 -0.52 0.00 -1.00 0.00 0.00 179.01 178.20 3hcd h ALA 242 N 1.41 1.12 -0.15 3.43 0.00 -0.93 -0.24 119.26 123.89 3hcd h ALA 242 Ca 0.27 -0.47 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 3hcd h ALA 242 Cb 0.01 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.72 3hcd h ALA 242 CO -0.05 0.65 -0.52 -0.07 0.00 0.00 0.00 179.25 179.27 3hcd h LEU 243 N 0.03 0.72 -0.16 0.00 3.38 -0.36 -2.39 115.31 116.53 3hcd h LEU 243 Ca -0.00 -0.60 0.02 0.00 0.09 0.00 0.00 57.88 57.38 3hcd h LEU 243 Cb 0.93 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3hcd h LEU 243 CO 0.07 1.20 0.04 0.58 0.09 0.00 0.00 178.44 180.42 3hcd h VAL 244 N 0.28 0.94 -0.91 1.22 2.07 -0.86 -0.56 116.25 118.43 3hcd h VAL 244 Ca -0.02 -0.04 0.10 0.00 0.82 0.00 0.00 66.70 67.56 3hcd h VAL 244 Cb 1.14 0.82 -0.08 0.00 -1.52 0.00 0.00 31.29 31.66 3hcd h VAL 244 CO 0.11 0.02 0.55 -0.09 0.02 0.00 0.00 177.57 178.18 3hcd h ARG 245 N 0.11 0.87 0.00 1.57 2.43 -1.03 0.19 114.38 118.53 3hcd h ARG 245 Ca 0.07 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3hcd h ARG 245 Cb 0.05 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3hcd h ARG 245 CO -0.08 0.58 0.00 0.43 -1.51 0.00 0.00 179.97 179.38 3hcd n SER 246 N -4.68 0.00 -0.00 -3.80 7.64 -0.90 -4.86 113.62 107.01 3hcd n SER 246 Ca 0.16 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.78 3hcd n SER 246 Cb 0.30 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 3hcd n SER 246 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hcd n GLY 247 N 0.73 1.72 3.74 0.23 0.00 0.65 -4.98 105.19 107.28 3hcd n GLY 247 Ca 0.14 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3hcd n GLY 247 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hcd s TYR 248 N -2.01 3.17 -0.22 1.61 2.02 -0.24 -2.30 117.35 119.38 3hcd s TYR 248 Ca 0.00 0.11 -0.21 0.00 -0.37 0.00 0.00 57.07 56.61 3hcd s TYR 248 Cb 0.00 -1.66 -0.02 0.00 -0.40 0.00 0.00 41.96 39.87 3hcd s TYR 248 CO 0.00 0.51 0.63 0.21 -1.57 0.00 0.00 175.55 175.33 3hcd s LYS 249 N -1.95 4.17 -0.50 -0.62 2.20 0.66 -4.18 119.74 119.53 3hcd s LYS 249 Ca 0.24 0.59 -0.29 0.00 -0.36 0.00 0.00 55.97 56.15 3hcd s LYS 249 Cb -0.12 -3.61 0.03 0.00 -1.51 0.00 0.00 37.83 32.62 3hcd s LYS 249 CO 0.16 -0.31 1.16 0.08 -0.36 0.00 0.00 175.35 176.08 3hcd s VAL 250 N 2.14 4.16 -0.01 4.02 1.01 -1.26 -0.39 120.40 130.06 3hcd s VAL 250 Ca 0.28 1.16 0.11 0.00 0.00 0.00 0.00 61.98 63.52 3hcd s VAL 250 Cb -0.16 -4.62 -0.11 0.00 0.00 0.00 0.00 36.38 31.49 3hcd s VAL 250 CO 0.10 -1.07 1.22 0.03 0.00 0.00 0.00 175.10 175.38 3hcd h ARG 251 N 9.34 0.00 -1.79 2.72 2.47 -0.71 -3.47 114.38 122.94 3hcd h ARG 251 Ca -0.23 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.50 3hcd h ARG 251 Cb 1.06 0.00 -0.24 0.00 -1.65 0.00 0.00 29.97 29.14 3hcd h ARG 251 CO 1.14 0.71 0.29 0.34 0.56 0.00 0.00 179.97 183.01 3hcd s ASP 252 N -6.47 -0.61 -0.09 7.04 2.15 -0.96 -4.96 116.67 112.76 3hcd s ASP 252 Ca 0.01 1.15 -0.04 0.00 0.43 0.00 0.00 52.55 54.10 3hcd s ASP 252 Cb 0.09 1.17 0.05 0.00 -0.30 0.00 0.00 42.92 43.93 3hcd s ASP 252 CO 0.80 -0.20 0.19 -0.22 -0.17 0.00 0.00 175.17 175.56 3hcd s LEU 253 N 0.39 0.04 0.06 -1.34 2.96 -1.26 -0.55 118.68 118.99 3hcd s LEU 253 Ca 0.01 0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.35 3hcd s LEU 253 Cb -0.05 0.42 -0.03 0.00 0.50 0.00 0.00 46.19 47.03 3hcd s LEU 253 CO -0.04 -0.22 -0.09 -0.13 -1.32 0.00 0.00 176.35 174.55 3hcd s ARG 254 N 2.05 0.67 -0.03 1.98 0.52 0.25 -4.97 118.95 119.43 3hcd s ARG 254 Ca -0.00 -0.95 0.05 0.00 -0.52 0.00 0.00 55.73 54.30 3hcd s ARG 254 Cb -0.12 -0.38 -0.01 0.00 0.52 0.00 0.00 34.95 34.96 3hcd s ARG 254 CO -0.07 0.06 -0.17 0.99 0.02 0.00 0.00 175.30 176.14 3hcd s THR 255 N -1.94 1.36 -0.14 0.02 2.01 -1.26 -0.51 115.64 115.18 3hcd s THR 255 Ca -0.03 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.27 3hcd s THR 255 Cb -0.06 -1.16 -0.01 0.00 0.01 0.00 0.00 72.50 71.28 3hcd s THR 255 CO -0.00 0.39 -0.14 -0.47 -0.69 0.00 0.00 174.62 173.70 3hcd s TYR 256 N -0.13 2.78 -0.10 4.92 5.04 0.16 -4.97 117.35 125.05 3hcd s TYR 256 Ca 0.00 -0.83 -0.18 0.00 -2.44 0.00 0.00 57.07 53.62 3hcd s TYR 256 Cb -0.09 -1.86 -0.04 0.00 0.35 0.00 0.00 41.96 40.31 3hcd s TYR 256 CO 0.01 -0.34 0.49 0.42 -1.34 0.00 0.00 175.55 174.79 3hcd s ILE 257 N 0.56 5.14 -0.38 3.14 1.01 -1.26 0.37 121.20 129.78 3hcd s ILE 257 Ca -0.09 0.99 -0.29 0.00 0.00 0.00 0.00 60.65 61.26 3hcd s ILE 257 Cb -0.16 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.49 3hcd s ILE 257 CO 0.04 0.35 1.41 -0.32 0.00 0.00 0.00 174.94 176.42 3hcd s MET 258 N 0.42 3.64 0.71 2.79 -2.45 -0.36 -4.94 119.30 119.10 3hcd s MET 258 Ca 0.27 1.03 -0.16 0.00 -1.25 0.00 0.00 55.69 55.58 3hcd s MET 258 Cb -0.16 -4.00 0.03 0.00 1.25 0.00 0.00 34.83 31.95 3hcd s MET 258 CO 0.11 -1.48 1.25 -2.14 1.05 0.00 0.00 175.02 173.81 3hcd s PRO 259 N 4.81 2.19 0.34 4.11 0.02 -1.26 -4.86 135.00 140.35 3hcd s PRO 259 Ca 0.61 1.93 0.09 0.00 0.02 0.00 0.00 61.00 63.65 3hcd s PRO 259 Cb -0.15 -1.82 0.81 0.00 0.02 0.00 0.00 34.50 33.37 3hcd s PRO 259 CO 0.31 -1.84 1.82 0.00 -0.33 0.00 0.00 177.00 176.97 3hcd h ALA 260 N -0.04 1.82 0.00 -1.55 0.00 -1.95 -1.18 119.26 116.36 3hcd h ALA 260 Ca -0.49 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3hcd h ALA 260 Cb 1.32 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3hcd h ALA 260 CO 0.50 -0.13 -0.00 1.25 0.00 0.00 0.00 179.25 180.87 3hcd h HIS 261 N 0.70 0.00 -0.63 0.00 -0.00 -2.02 -2.02 115.15 111.17 3hcd h HIS 261 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.89 3hcd h HIS 261 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.29 3hcd h HIS 261 CO -0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.93 179.21 3hcd n LEU 262 N -3.10 3.69 -4.57 0.26 4.77 -0.45 -4.87 117.00 112.74 3hcd n LEU 262 Ca 0.00 -2.00 -0.42 0.00 -0.03 0.00 0.00 56.01 53.56 3hcd n LEU 262 Cb 0.29 -0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 40.89 3hcd n LEU 262 CO 0.27 0.92 0.33 -1.10 -1.33 0.00 0.00 177.39 176.48 3hcd s GLN 263 N -1.01 3.66 0.00 3.23 -0.21 -0.76 -4.95 119.66 119.62 3hcd s GLN 263 Ca 0.42 -0.02 0.00 0.00 0.02 0.00 0.00 55.36 55.78 3hcd s GLN 263 Cb 0.22 -3.81 0.00 0.00 1.00 0.00 0.00 33.01 30.42 3hcd s GLN 263 CO 0.29 -0.70 0.61 0.25 -2.12 0.00 0.00 175.29 173.61 3hcd n THR 264 N 5.53 0.37 -0.21 -0.19 -2.24 -1.26 -5.00 114.28 111.28 3hcd n THR 264 Ca -0.02 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 3hcd n THR 264 Cb 0.49 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 3hcd n THR 264 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hcd n GLY 265 N -0.19 1.31 0.16 3.38 0.00 -1.26 -4.86 105.19 103.72 3hcd n GLY 265 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3hcd n GLY 265 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hcd n VAL 266 N -2.00 0.00 -3.89 1.61 0.24 -1.26 -4.94 118.33 108.09 3hcd n VAL 266 Ca 0.00 -0.08 0.01 0.00 -2.04 0.00 0.00 64.34 62.22 3hcd n VAL 266 Cb 0.00 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 3hcd n VAL 266 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3hcd n ASP 267 N -0.92 -0.23 -0.82 -1.34 5.68 -1.26 -1.01 116.55 116.64 3hcd n ASP 267 Ca 0.11 -1.05 0.05 0.00 -0.50 0.00 0.00 54.79 53.40 3hcd n ASP 267 Cb 0.33 0.36 0.09 0.00 -1.14 0.00 0.00 41.12 40.77 3hcd n ASP 267 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3hcd n ASP 268 N -0.33 1.25 -4.64 -1.12 3.85 -1.19 -4.74 116.55 109.62 3hcd n ASP 268 Ca 0.01 -2.76 -0.45 0.00 -0.71 0.00 0.00 54.79 50.88 3hcd n ASP 268 Cb 0.12 -0.37 -0.02 0.00 -1.35 0.00 0.00 41.12 39.49 3hcd n ASP 268 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 3hcd n VAL 269 N -0.39 1.26 -0.12 2.12 3.14 -1.26 -4.63 118.33 118.45 3hcd n VAL 269 Ca 0.11 -0.31 -0.16 0.00 -2.96 0.00 0.00 64.34 61.02 3hcd n VAL 269 Cb 0.85 -1.30 -0.13 0.00 -1.06 0.00 0.00 33.84 32.20 3hcd n VAL 269 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3hcd n LYS 270 N 1.56 0.67 -3.89 1.45 4.76 -0.85 -4.88 118.16 116.97 3hcd n LYS 270 Ca 0.11 0.11 -0.11 0.00 -2.87 0.00 0.00 58.31 55.55 3hcd n LYS 270 Cb 0.31 -1.53 0.01 0.00 -1.84 0.00 0.00 35.03 31.98 3hcd n LYS 270 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3hcd s GLY 271 N -6.16 0.78 -0.01 0.72 0.00 -1.13 -1.23 107.32 100.30 3hcd s GLY 271 Ca -0.27 -1.04 0.03 0.00 0.00 0.00 0.00 44.72 43.44 3hcd s GLY 271 CO 0.68 -0.55 -0.09 0.14 0.00 0.00 0.00 173.10 173.28 3hcd s VAL 272 N -2.37 0.75 0.17 1.40 1.01 0.16 -0.15 120.40 121.37 3hcd s VAL 272 Ca 0.21 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 61.88 3hcd s VAL 272 Cb -0.04 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 3hcd s VAL 272 CO 0.15 0.22 -0.04 0.72 0.00 0.00 0.00 175.10 176.15 3hcd s PHE 273 N -0.09 2.76 -0.07 5.22 -0.12 -0.20 0.36 117.98 125.84 3hcd s PHE 273 Ca 0.01 -0.17 0.01 0.00 -0.05 0.00 0.00 56.93 56.74 3hcd s PHE 273 Cb -0.05 -1.34 0.02 0.00 -0.63 0.00 0.00 43.02 41.01 3hcd s PHE 273 CO -0.00 0.51 -0.09 0.12 -0.05 0.00 0.00 175.22 175.71 3hcd s PHE 274 N -1.71 1.30 -0.04 3.49 5.36 0.33 -1.94 117.98 124.77 3hcd s PHE 274 Ca 0.26 -0.51 0.05 0.00 -0.96 0.00 0.00 56.93 55.77 3hcd s PHE 274 Cb -0.09 -1.02 -0.01 0.00 -0.34 0.00 0.00 43.02 41.56 3hcd s PHE 274 CO 0.17 -0.32 -0.19 0.00 -1.46 0.00 0.00 175.22 173.42 3hcd s ALA 275 N 1.01 1.68 -0.36 11.12 0.00 0.11 -0.58 121.76 134.74 3hcd s ALA 275 Ca -0.08 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.05 3hcd s ALA 275 Cb -0.15 -0.53 0.07 0.00 0.00 0.00 0.00 23.12 22.52 3hcd s ALA 275 CO -0.00 0.32 0.13 -0.46 0.00 0.00 0.00 175.76 175.75 3hcd s TRP 276 N -0.07 3.40 0.07 0.00 -0.00 0.28 -0.89 118.94 121.73 3hcd s TRP 276 Ca -0.02 -1.96 0.08 0.00 -0.00 0.00 0.00 56.10 54.20 3hcd s TRP 276 Cb -0.12 -2.67 -0.03 0.00 -0.00 0.00 0.00 33.47 30.65 3hcd s TRP 276 CO 0.02 -0.86 -0.18 0.00 -0.00 0.00 0.00 176.95 175.93 3hcd s ALA 277 N 1.26 2.61 -0.13 5.86 0.00 -0.13 0.08 121.76 131.32 3hcd s ALA 277 Ca 0.02 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 50.75 3hcd s ALA 277 Cb -0.21 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.22 3hcd s ALA 277 CO -0.01 0.58 -0.21 -1.14 0.00 0.00 0.00 175.76 174.97 3hcd s GLN 278 N -1.68 2.93 -0.03 0.00 0.74 0.47 -0.16 119.66 121.93 3hcd s GLN 278 Ca 0.16 -0.82 -0.30 0.00 0.05 0.00 0.00 55.36 54.44 3hcd s GLN 278 Cb -0.10 -2.35 -0.06 0.00 1.10 0.00 0.00 33.01 31.60 3hcd s GLN 278 CO 0.07 0.01 1.59 0.21 -0.55 0.00 0.00 175.29 176.62 3hcd s LYS 279 N 0.76 4.20 0.00 1.67 2.20 -0.40 -0.25 119.74 127.93 3hcd s LYS 279 Ca -0.09 2.14 0.01 0.00 -0.36 0.00 0.00 55.97 57.68 3hcd s LYS 279 Cb -0.16 -3.85 0.01 0.00 -1.51 0.00 0.00 37.83 32.32 3hcd s LYS 279 CO -0.00 -0.78 0.53 1.55 -0.36 0.00 0.00 175.35 176.29