#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hce n SER 25 N 0.00 0.58 0.11 0.00 7.64 -1.26 -0.87 113.62 119.82 3hce n SER 25 Ca 0.00 0.69 0.04 0.00 1.01 0.00 0.00 58.87 60.61 3hce n SER 25 Cb 0.00 -0.79 0.45 0.00 -1.01 0.00 0.00 64.21 62.86 3hce n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hce h ALA 26 N 2.16 1.67 0.00 -0.43 0.00 -2.03 -1.79 119.26 118.83 3hce h ALA 26 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hce h ALA 26 Cb 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hce h ALA 26 CO 0.00 0.25 0.00 0.66 0.00 0.00 0.00 179.25 180.16 3hce n TYR 27 N -4.39 0.00 1.43 0.00 4.02 -0.05 -2.15 117.16 116.02 3hce n TYR 27 Ca -0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.03 3hce n TYR 27 Cb 0.17 -0.05 0.53 0.00 -0.02 0.00 0.00 39.34 39.96 3hce n TYR 27 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3hce n GLN 28 N -1.05 1.13 0.00 -0.72 1.13 -0.67 -3.58 117.38 113.61 3hce n GLN 28 Ca 0.10 -0.58 0.02 0.00 -1.94 0.00 0.00 57.00 54.60 3hce n GLN 28 Cb 0.06 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 28.93 3hce n GLN 28 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3hce n ARG 29 N -0.43 0.98 -1.60 -1.09 1.74 -0.92 -5.05 116.66 110.28 3hce n ARG 29 Ca 0.16 -0.53 -0.51 0.00 -0.77 0.00 0.00 57.85 56.21 3hce n ARG 29 Cb 0.32 -0.96 -0.06 0.00 -1.02 0.00 0.00 32.46 30.74 3hce n ARG 29 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hce n PHE 30 N -0.11 1.63 -3.96 -1.55 7.35 -1.23 -3.36 117.46 116.23 3hce n PHE 30 Ca 0.02 0.58 -0.34 0.00 -0.76 0.00 0.00 57.45 56.95 3hce n PHE 30 Cb 0.07 -2.36 -0.14 0.00 0.35 0.00 0.00 39.48 37.40 3hce n PHE 30 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3hce s GLU 31 N 0.49 2.14 0.33 -4.13 2.02 -0.04 -4.99 118.70 114.53 3hce s GLU 31 Ca 0.83 -1.48 0.04 0.00 0.02 0.00 0.00 54.97 54.37 3hce s GLU 31 Cb -0.90 -3.16 0.64 0.00 0.10 0.00 0.00 34.13 30.82 3hce s GLU 31 CO 0.46 -0.73 1.91 -1.35 0.02 0.00 0.00 175.26 175.57 3hce h PRO 32 N 7.87 0.86 -0.17 0.39 0.11 -1.93 0.32 132.00 139.45 3hce h PRO 32 Ca -0.16 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.89 3hce h PRO 32 Cb 1.05 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 3hce h PRO 32 CO 0.53 0.57 0.08 0.00 -0.21 0.00 0.00 178.00 178.97 3hce h ARG 33 N 0.89 0.25 -0.01 1.05 2.47 -1.94 -0.66 114.38 116.42 3hce h ARG 33 Ca 0.38 -0.04 -0.07 0.00 -1.26 0.00 0.00 59.98 59.00 3hce h ARG 33 Cb 0.32 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 3hce h ARG 33 CO -0.15 0.29 -0.31 0.00 0.56 0.00 0.00 179.97 180.36 3hce h ALA 34 N 0.95 1.46 0.15 0.04 0.00 -1.47 -1.41 119.26 118.98 3hce h ALA 34 Ca 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3hce h ALA 34 Cb 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hce h ALA 34 CO -0.01 0.40 -0.07 -0.92 0.00 0.00 0.00 179.25 178.65 3hce h TYR 35 N 0.02 -0.18 -0.04 0.00 3.20 -0.67 -2.46 116.97 116.83 3hce h TYR 35 Ca -0.00 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 3hce h TYR 35 Cb 0.56 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.84 3hce h TYR 35 CO 0.00 0.22 -0.43 -0.07 -1.64 0.00 0.00 178.16 176.24 3hce h LEU 36 N -0.65 -1.33 -1.88 2.82 3.38 -0.92 -0.96 115.31 115.78 3hce h LEU 36 Ca -0.02 0.16 0.32 0.00 0.09 0.00 0.00 57.88 58.43 3hce h LEU 36 Cb 0.48 0.52 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 3hce h LEU 36 CO 0.03 -0.46 0.79 -0.09 0.09 0.00 0.00 178.44 178.81 3hce h ARG 37 N -0.56 0.07 0.00 1.13 2.43 -1.34 1.07 114.38 117.17 3hce h ARG 37 Ca 0.05 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3hce h ARG 37 Cb 0.65 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3hce h ARG 37 CO -0.35 0.05 -0.69 -0.91 -1.51 0.00 0.00 179.97 176.56 3hce h ASN 38 N 0.07 0.00 0.00 -3.80 2.35 -0.70 -3.34 115.58 110.16 3hce h ASN 38 Ca 0.56 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 56.21 3hce h ASN 38 Cb 2.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.43 3hce h ASN 38 CO -0.06 0.05 -0.15 0.59 -1.65 0.00 0.00 177.43 176.20 3hce n ASN 39 N -2.45 0.77 -1.21 5.81 3.02 -0.50 -4.85 115.26 115.86 3hce n ASN 39 Ca 0.02 -0.06 0.05 0.00 -0.03 0.00 0.00 54.58 54.56 3hce n ASN 39 Cb 0.49 0.27 0.07 0.00 -0.61 0.00 0.00 39.78 40.01 3hce n ASN 39 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3hce n TYR 40 N -0.35 0.00 -4.27 3.10 4.02 0.36 -4.46 117.16 115.56 3hce n TYR 40 Ca 0.00 -0.77 -0.15 0.00 -0.01 0.00 0.00 57.90 56.97 3hce n TYR 40 Cb 0.00 -0.18 -0.10 0.00 -0.02 0.00 0.00 39.34 39.04 3hce n TYR 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hce s ALA 41 N -0.94 1.51 0.65 -0.72 0.00 -1.22 -4.59 121.76 116.44 3hce s ALA 41 Ca 0.34 -1.79 -0.18 0.00 0.00 0.00 0.00 51.96 50.33 3hce s ALA 41 Cb 0.37 1.21 -0.01 0.00 0.00 0.00 0.00 23.12 24.69 3hce s ALA 41 CO -0.14 -0.52 1.28 -2.30 0.00 0.00 0.00 175.76 174.08 3hce n PRO 42 N -0.39 1.10 0.06 0.00 -0.02 -1.26 -0.84 135.00 133.65 3hce n PRO 42 Ca 0.01 0.43 -0.03 0.00 -2.02 0.00 0.00 63.50 61.90 3hce n PRO 42 Cb 0.66 -2.52 -0.07 0.00 -0.02 0.00 0.00 33.50 31.55 3hce n PRO 42 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3hce h PRO 43 N 0.52 0.00 0.00 0.52 0.13 -1.93 -3.44 132.00 127.81 3hce h PRO 43 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3hce h PRO 43 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3hce h PRO 43 CO 0.53 0.58 0.00 0.00 -0.23 0.00 0.00 178.00 178.88 3hce h ARG 44 N 0.00 0.00 -0.02 0.86 3.08 -1.79 -2.39 114.38 114.12 3hce h ARG 44 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3hce h ARG 44 Cb 1.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.70 3hce h ARG 44 CO 0.08 0.00 -0.11 0.41 -1.07 0.00 0.00 179.97 179.28 3hce n GLY 45 N -0.35 0.14 3.59 0.04 0.00 -0.02 -4.11 105.19 104.47 3hce n GLY 45 Ca -0.00 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 3hce n GLY 45 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hce s ASP 46 N -1.55 6.37 -0.00 1.61 3.68 -0.90 -4.59 116.67 121.28 3hce s ASP 46 Ca 0.17 0.38 0.09 0.00 2.13 0.00 0.00 52.55 55.33 3hce s ASP 46 Cb 0.13 -2.55 0.28 0.00 -1.45 0.00 0.00 42.92 39.33 3hce s ASP 46 CO 0.27 -1.49 1.22 0.18 0.13 0.00 0.00 175.17 175.48 3hce n LEU 47 N 8.74 1.71 -0.05 -1.34 4.77 -1.26 -4.27 117.00 125.29 3hce n LEU 47 Ca 0.12 -0.85 -0.14 0.00 -0.03 0.00 0.00 56.01 55.11 3hce n LEU 47 Cb 0.49 -0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.29 3hce n LEU 47 CO 0.71 0.42 0.54 0.00 -1.33 0.00 0.00 177.39 177.73 3hce s ASN 49 N -6.31 6.62 0.62 0.00 3.84 -1.26 -4.88 114.94 113.58 3hce s ASN 49 Ca -0.14 1.74 0.40 0.00 0.21 0.00 0.00 52.86 55.06 3hce s ASN 49 Cb 0.06 -2.53 2.08 0.00 -0.55 0.00 0.00 41.25 40.30 3hce s ASN 49 CO 0.78 -1.03 2.26 -0.65 -2.79 0.00 0.00 177.10 175.67 3hce h PRO 50 N 9.64 0.00 -0.36 0.43 0.11 -1.96 -1.25 132.00 138.62 3hce h PRO 50 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3hce h PRO 50 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hce h PRO 50 CO 0.99 0.01 0.00 0.09 -0.21 0.00 0.00 178.00 178.88 3hce n ASN 51 N -3.21 1.46 -4.84 -2.05 3.02 -1.26 -4.47 115.26 103.91 3hce n ASN 51 Ca -0.02 -2.06 -0.25 0.00 -0.03 0.00 0.00 54.58 52.22 3hce n ASN 51 Cb 0.13 -0.23 0.08 0.00 -0.61 0.00 0.00 39.78 39.15 3hce n ASN 51 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3hce s GLY 52 N -0.85 1.74 0.11 7.41 0.00 -0.47 -4.96 107.32 110.30 3hce s GLY 52 Ca 0.15 -1.16 0.03 0.00 0.00 0.00 0.00 44.72 43.74 3hce s GLY 52 CO 0.09 -0.73 1.24 -0.24 0.00 0.00 0.00 173.10 173.47 3hce h VAL 53 N -0.52 1.61 0.15 1.40 3.04 -1.87 -2.83 116.25 117.22 3hce h VAL 53 Ca -0.43 -3.20 -0.01 0.00 -1.01 0.00 0.00 66.70 62.06 3hce h VAL 53 Cb 1.30 2.84 0.00 0.00 -2.01 0.00 0.00 31.29 33.42 3hce h VAL 53 CO 0.54 0.92 -0.07 1.23 -1.01 0.00 0.00 177.57 179.18 3hce h GLY 54 N 2.36 -0.21 0.24 3.17 0.00 -1.93 -1.32 103.07 105.37 3hce h GLY 54 Ca -0.06 0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.41 3hce h GLY 54 CO 0.16 -0.08 -0.16 -2.55 0.00 0.00 0.00 176.54 173.91 3hce h PRO 55 N -0.33 -0.13 -0.66 4.80 0.11 -1.85 -1.43 132.00 132.52 3hce h PRO 55 Ca -0.02 0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.21 3hce h PRO 55 Cb 0.26 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 31.32 3hce h PRO 55 CO 0.03 -0.09 0.24 2.35 -0.21 0.00 0.00 178.00 180.32 3hce h TRP 56 N -0.13 0.41 0.81 0.65 7.01 -1.32 0.14 115.95 123.51 3hce h TRP 56 Ca 0.15 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.14 3hce h TRP 56 Cb 0.36 -0.08 0.01 0.00 -2.10 0.00 0.00 29.16 27.35 3hce h TRP 56 CO -0.35 0.07 -0.39 0.87 -2.79 0.00 0.00 178.44 175.85 3hce h LYS 57 N 0.40 -1.04 -1.00 2.65 1.57 -0.98 -1.75 116.57 116.42 3hce h LYS 57 Ca 0.34 0.07 0.17 0.00 -1.87 0.00 0.00 60.65 59.36 3hce h LYS 57 Cb 0.47 0.24 -0.10 0.00 0.08 0.00 0.00 32.23 32.92 3hce h LYS 57 CO -0.35 -0.69 0.61 -0.07 -0.57 0.00 0.00 179.45 178.38 3hce h LEU 58 N -1.14 0.82 0.13 2.94 3.38 -0.84 -1.02 115.31 119.58 3hce h LEU 58 Ca -0.11 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3hce h LEU 58 Cb 0.84 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3hce h LEU 58 CO 0.18 0.34 -0.06 -0.09 0.09 0.00 0.00 178.44 178.90 3hce h ARG 59 N 0.83 -0.17 -0.39 1.13 2.43 -0.63 0.12 114.38 117.70 3hce h ARG 59 Ca 0.55 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.81 3hce h ARG 59 Cb 0.76 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.26 3hce h ARG 59 CO -0.34 0.03 -0.22 0.00 -1.51 0.00 0.00 179.97 177.93 3hce h LEU 61 N -0.15 0.37 0.11 0.00 3.38 -1.04 -1.07 115.31 116.91 3hce h LEU 61 Ca 0.19 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3hce h LEU 61 Cb 0.45 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3hce h LEU 61 CO -0.49 0.26 -0.05 0.00 0.09 0.00 0.00 178.44 178.26 3hce h ALA 62 N 1.19 -0.15 -0.56 1.53 0.00 0.06 -2.23 119.26 119.11 3hce h ALA 62 Ca 0.17 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.03 3hce h ALA 62 Cb 0.03 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 3hce h ALA 62 CO -0.09 -0.44 0.08 1.96 0.00 0.00 0.00 179.25 180.76 3hce h GLN 63 N -0.43 0.20 0.45 0.00 4.20 -0.11 -0.27 115.11 119.14 3hce h GLN 63 Ca -0.01 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3hce h GLN 63 Cb 0.35 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3hce h GLN 63 CO 0.02 0.13 -0.21 1.15 -0.67 0.00 0.00 178.83 179.25 3hce h THR 64 N 0.21 0.56 -0.47 -0.54 2.02 -1.00 -2.69 112.91 111.00 3hce h THR 64 Ca 0.29 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.32 3hce h THR 64 Cb 0.43 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 3hce h THR 64 CO -0.40 0.02 0.16 -0.26 0.37 0.00 0.00 175.52 175.41 3hce h PHE 65 N -0.67 0.68 0.00 3.16 -1.00 -1.34 -2.64 116.94 115.13 3hce h PHE 65 Ca -0.06 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.68 3hce h PHE 65 Cb 0.50 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.85 3hce h PHE 65 CO -0.03 0.55 0.10 0.00 -1.61 0.00 0.00 178.31 177.32 3hce h ALA 66 N 1.51 1.08 0.00 2.45 0.00 -0.71 0.52 119.26 124.12 3hce h ALA 66 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3hce h ALA 66 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hce h ALA 66 CO -0.01 -0.08 -0.19 1.79 0.00 0.00 0.00 179.25 180.76 3hce h THR 67 N 0.00 0.38 -0.35 0.00 1.35 -1.33 -3.47 112.91 109.48 3hce h THR 67 Ca 0.00 -1.23 -0.15 0.00 -0.55 0.00 0.00 66.41 64.48 3hce h THR 67 Cb 0.20 1.93 -0.06 0.00 -1.73 0.00 0.00 68.15 68.49 3hce h THR 67 CO 0.00 0.18 -0.14 0.61 -0.25 0.00 0.00 175.52 175.93 3hce n GLY 68 N 0.62 0.85 0.00 5.82 0.00 0.18 -4.82 105.19 107.83 3hce n GLY 68 Ca 0.02 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.96 3hce n GLY 68 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hce n GLU 69 N -1.53 0.00 -3.62 1.61 1.02 -1.26 -4.60 120.64 112.26 3hce n GLU 69 Ca -0.07 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.67 3hce n GLU 69 Cb 0.40 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.23 3hce n GLU 69 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hce s VAL 70 N -3.00 3.98 0.08 2.62 1.01 -1.26 -5.03 120.40 118.79 3hce s VAL 70 Ca 0.11 -2.07 -0.16 0.00 0.00 0.00 0.00 61.98 59.86 3hce s VAL 70 Cb 0.17 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.96 3hce s VAL 70 CO 0.70 -0.78 0.38 -0.94 0.00 0.00 0.00 175.10 174.45 3hce s SER 71 N 2.13 -0.21 0.00 3.32 1.04 -1.26 -4.95 113.70 113.76 3hce s SER 71 Ca 0.09 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.32 3hce s SER 71 Cb -0.24 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.31 3hce s SER 71 CO -0.03 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.07 3hce n GLY 72 N 0.20 -0.60 0.52 7.32 0.00 -1.20 -4.94 105.19 106.49 3hce n GLY 72 Ca -0.17 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.03 3hce n GLY 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hce n ARG 73 N 0.00 0.31 -4.13 1.61 0.63 -1.26 -4.34 116.66 109.48 3hce n ARG 73 Ca 0.00 0.13 -0.27 0.00 -0.92 0.00 0.00 57.85 56.79 3hce n ARG 73 Cb 0.00 -1.03 -0.07 0.00 0.45 0.00 0.00 32.46 31.81 3hce n ARG 73 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3hce s THR 74 N -2.26 4.16 -0.05 5.15 -4.23 -1.26 -0.92 115.64 116.22 3hce s THR 74 Ca -0.20 -1.17 -0.19 0.00 -1.18 0.00 0.00 61.69 58.95 3hce s THR 74 Cb 0.08 -3.09 0.04 0.00 1.34 0.00 0.00 72.50 70.87 3hce s THR 74 CO 0.26 -0.07 0.43 -0.22 -0.54 0.00 0.00 174.62 174.48 3hce s LEU 75 N -2.91 0.37 -0.02 4.79 0.20 -0.60 -1.60 118.68 118.91 3hce s LEU 75 Ca 0.29 0.41 0.03 0.00 0.69 0.00 0.00 54.13 55.55 3hce s LEU 75 Cb -0.10 1.63 -0.00 0.00 -0.43 0.00 0.00 46.19 47.29 3hce s LEU 75 CO 0.21 -0.43 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.10 3hce s ILE 76 N -0.98 0.91 -0.25 6.68 1.01 -0.86 -0.90 121.20 126.81 3hce s ILE 76 Ca -0.10 -0.45 -0.09 0.00 0.00 0.00 0.00 60.65 60.01 3hce s ILE 76 Cb -0.04 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 3hce s ILE 76 CO 0.05 0.27 0.11 -0.62 0.00 0.00 0.00 174.94 174.75 3hce s ASP 77 N 0.04 5.49 -0.24 3.58 2.15 0.86 -1.72 116.67 126.84 3hce s ASP 77 Ca -0.01 -0.11 -0.20 0.00 0.43 0.00 0.00 52.55 52.66 3hce s ASP 77 Cb -0.08 -2.00 -0.02 0.00 -0.30 0.00 0.00 42.92 40.52 3hce s ASP 77 CO 0.00 -0.02 0.59 -0.63 -0.17 0.00 0.00 175.17 174.94 3hce s ILE 78 N 1.55 5.03 -0.84 4.11 -1.09 -0.23 -1.96 121.20 127.77 3hce s ILE 78 Ca 0.06 1.06 -0.02 0.00 -2.23 0.00 0.00 60.65 59.52 3hce s ILE 78 Cb -0.15 -3.90 -0.03 0.00 -1.58 0.00 0.00 42.46 36.80 3hce s ILE 78 CO 0.06 0.08 0.72 0.61 -1.23 0.00 0.00 174.94 175.17 3hce n GLY 79 N 4.10 -0.40 0.27 6.18 0.00 -1.04 -4.25 105.19 110.06 3hce n GLY 79 Ca -0.02 0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.18 3hce n GLY 79 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hce h SER 80 N -1.11 0.36 0.00 1.61 0.02 -0.40 -3.44 113.55 110.60 3hce h SER 80 Ca -0.45 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3hce h SER 80 Cb 1.24 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.69 3hce h SER 80 CO 0.35 0.39 0.00 0.61 -1.14 0.00 0.00 176.83 177.04 3hce n GLY 81 N -1.12 1.61 0.94 -3.77 0.00 -1.26 -2.53 105.19 99.06 3hce n GLY 81 Ca 0.01 -0.52 0.03 0.00 0.00 0.00 0.00 46.02 45.54 3hce n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hce n PRO 82 N 4.45 2.34 -4.38 1.61 -0.05 -1.26 -4.73 135.00 132.99 3hce n PRO 82 Ca 0.00 -1.19 -0.28 0.00 -0.05 0.00 0.00 63.50 61.98 3hce n PRO 82 Cb 0.00 -1.68 -0.12 0.00 -0.05 0.00 0.00 33.50 31.65 3hce n PRO 82 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 175.50 176.40 3hce s THR 83 N -1.67 2.47 0.00 0.52 -4.23 -1.05 -4.73 115.64 106.95 3hce s THR 83 Ca 0.21 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 3hce s THR 83 Cb 0.15 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.85 3hce s THR 83 CO 0.08 0.01 0.00 1.33 -0.54 0.00 0.00 174.62 175.50 3hce n VAL 84 N 0.61 0.00 0.07 2.29 0.24 -1.26 -4.81 118.33 115.48 3hce n VAL 84 Ca -0.15 -0.36 0.12 0.00 -2.04 0.00 0.00 64.34 61.91 3hce n VAL 84 Cb 0.54 0.86 0.59 0.00 -1.47 0.00 0.00 33.84 34.37 3hce n VAL 84 CO 0.00 0.00 0.00 0.10 -2.14 0.00 0.00 176.83 174.79 3hce h TYR 85 N 0.00 0.17 0.00 6.34 -0.00 -1.97 0.91 116.97 122.42 3hce h TYR 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3hce h TYR 85 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 36.73 36.67 3hce h TYR 85 CO 0.00 0.09 0.00 -0.56 -0.00 0.00 0.00 178.16 177.69 3hce h GLN 86 N 0.17 0.00 -0.01 0.10 -0.00 -1.99 -2.69 115.11 110.69 3hce h GLN 86 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.81 3hce h GLN 86 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.89 3hce h GLN 86 CO -0.02 0.00 -0.41 1.28 -0.00 0.00 0.00 178.83 179.68 3hce n LEU 87 N -2.52 1.85 0.22 0.06 4.77 0.31 -4.63 117.00 117.07 3hce n LEU 87 Ca 0.00 -0.76 -0.09 0.00 -0.03 0.00 0.00 56.01 55.13 3hce n LEU 87 Cb 0.17 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 3hce n LEU 87 CO 0.18 0.35 0.50 -0.07 -1.33 0.00 0.00 177.39 177.02 3hce h LEU 88 N 2.15 -0.48 -1.44 2.23 3.38 -1.54 0.46 115.31 120.08 3hce h LEU 88 Ca 0.00 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3hce h LEU 88 Cb 0.66 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 3hce h LEU 88 CO 0.00 -0.34 0.44 0.28 0.09 0.00 0.00 178.44 178.92 3hce h SER 89 N -0.58 0.61 0.27 -0.43 0.02 -1.86 -3.01 113.55 108.56 3hce h SER 89 Ca -0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3hce h SER 89 Cb 0.44 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 3hce h SER 89 CO 0.10 0.39 -0.15 0.00 -1.14 0.00 0.00 176.83 176.03 3hce h ALA 90 N 1.63 -0.39 0.00 3.77 0.00 -1.72 -3.25 119.26 119.31 3hce h ALA 90 Ca 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hce h ALA 90 Cb 0.26 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hce h ALA 90 CO -0.09 -0.72 0.19 0.00 0.00 0.00 0.00 179.25 178.63 3hce n SER 92 N -1.36 0.85 -0.20 0.00 3.41 -1.23 -4.00 113.62 111.09 3hce n SER 92 Ca -0.00 -0.88 0.03 0.00 -0.26 0.00 0.00 58.87 57.76 3hce n SER 92 Cb 0.20 0.03 0.02 0.00 -0.26 0.00 0.00 64.21 64.19 3hce n SER 92 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3hce n HIS 93 N -0.64 0.00 -3.66 7.33 8.25 0.33 -4.99 115.22 121.84 3hce n HIS 93 Ca 0.15 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.40 3hce n HIS 93 Cb 0.31 0.00 -0.18 0.00 1.12 0.00 0.00 29.99 31.24 3hce n HIS 93 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hce s PHE 94 N -0.47 0.05 0.16 4.41 0.40 -1.26 -3.27 117.98 118.00 3hce s PHE 94 Ca 0.06 0.23 0.13 0.00 -0.60 0.00 0.00 56.93 56.74 3hce s PHE 94 Cb 0.04 -0.48 0.28 0.00 0.51 0.00 0.00 43.02 43.37 3hce s PHE 94 CO 0.07 -0.23 1.55 1.05 0.70 0.00 0.00 175.22 178.36 3hce h GLU 95 N 8.43 0.00 -4.68 0.44 4.11 -1.64 -3.42 114.58 117.81 3hce h GLU 95 Ca -0.12 0.00 -0.69 0.00 0.07 0.00 0.00 59.36 58.62 3hce h GLU 95 Cb 1.12 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.04 3hce h GLU 95 CO 0.17 0.62 -0.66 0.34 0.07 0.00 0.00 179.01 179.55 3hce s ASP 96 N -6.65 5.00 -0.17 3.06 2.15 -0.10 -4.67 116.67 115.28 3hce s ASP 96 Ca 0.00 -1.53 -0.02 0.00 0.43 0.00 0.00 52.55 51.43 3hce s ASP 96 Cb 0.11 -1.74 -0.01 0.00 -0.30 0.00 0.00 42.92 40.97 3hce s ASP 96 CO 0.75 -0.35 -0.08 -0.63 -0.17 0.00 0.00 175.17 174.69 3hce s ILE 97 N 1.20 3.24 -0.19 4.11 1.01 -0.01 -1.55 121.20 129.01 3hce s ILE 97 Ca -0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 60.65 60.03 3hce s ILE 97 Cb -0.21 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 3hce s ILE 97 CO -0.02 0.48 0.01 -0.89 0.00 0.00 0.00 174.94 174.51 3hce s THR 98 N 0.88 4.06 0.08 2.92 2.01 -0.08 -1.99 115.64 123.53 3hce s THR 98 Ca -0.02 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 61.72 3hce s THR 98 Cb -0.15 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 3hce s THR 98 CO 0.00 0.43 0.13 -0.04 -0.69 0.00 0.00 174.62 174.45 3hce s MET 99 N 0.88 3.05 -0.00 4.92 -1.94 -0.01 -0.10 119.30 126.10 3hce s MET 99 Ca 0.01 -0.63 -0.02 0.00 -1.71 0.00 0.00 55.69 53.34 3hce s MET 99 Cb -0.14 -2.81 -0.01 0.00 2.01 0.00 0.00 34.83 33.88 3hce s MET 99 CO 0.02 0.57 0.03 0.95 -0.01 0.00 0.00 175.02 176.58 3hce s THR 100 N -1.46 0.05 0.08 2.05 -4.23 -0.83 0.59 115.64 111.89 3hce s THR 100 Ca 0.31 -0.43 -0.17 0.00 -1.18 0.00 0.00 61.69 60.22 3hce s THR 100 Cb -0.12 -0.19 0.03 0.00 1.34 0.00 0.00 72.50 73.56 3hce s THR 100 CO 0.24 -0.24 0.39 -0.62 -0.54 0.00 0.00 174.62 173.86 3hce s ASP 101 N -0.72 -0.24 0.21 3.99 2.15 -0.56 0.26 116.67 121.76 3hce s ASP 101 Ca -0.08 -0.17 0.06 0.00 0.43 0.00 0.00 52.55 52.79 3hce s ASP 101 Cb -0.05 0.44 0.15 0.00 -0.30 0.00 0.00 42.92 43.16 3hce s ASP 101 CO -0.00 -0.75 1.49 0.15 -0.17 0.00 0.00 175.17 175.89 3hce h PHE 102 N 2.73 0.17 -3.28 -5.34 3.57 -1.87 -2.97 116.94 109.94 3hce h PHE 102 Ca -0.33 -0.08 -0.56 0.00 3.53 0.00 0.00 57.97 60.53 3hce h PHE 102 Cb 1.23 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 3hce h PHE 102 CO 0.37 0.81 -0.23 -0.51 -2.23 0.00 0.00 178.31 176.53 3hce s LEU 103 N -7.54 4.23 0.10 0.59 1.43 -1.26 -4.74 118.68 111.49 3hce s LEU 103 Ca -0.02 0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 53.66 3hce s LEU 103 Cb 0.11 -3.46 -0.06 0.00 0.03 0.00 0.00 46.19 42.81 3hce s LEU 103 CO 0.80 0.00 1.48 -0.08 0.23 0.00 0.00 176.35 178.78 3hce h GLU 104 N 2.74 0.67 -0.11 1.70 4.57 -1.99 -3.19 114.58 118.97 3hce h GLU 104 Ca -0.46 -0.29 0.01 0.00 -1.18 0.00 0.00 59.36 57.44 3hce h GLU 104 Cb 1.17 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 3hce h GLU 104 CO 0.71 0.88 0.07 -0.39 -1.18 0.00 0.00 179.01 179.10 3hce h VAL 105 N 0.44 1.01 -0.03 0.32 -1.51 -1.98 -0.30 116.25 114.20 3hce h VAL 105 Ca 0.07 -0.04 -0.11 0.00 -1.23 0.00 0.00 66.70 65.39 3hce h VAL 105 Cb 0.67 0.88 0.01 0.00 -2.13 0.00 0.00 31.29 30.71 3hce h VAL 105 CO 0.04 0.02 -0.41 0.78 -1.23 0.00 0.00 177.57 176.78 3hce h ASN 106 N 0.12 0.41 -0.34 4.19 -0.26 -1.91 -2.10 115.58 115.69 3hce h ASN 106 Ca 0.04 -0.72 0.10 0.00 -0.56 0.00 0.00 56.30 55.16 3hce h ASN 106 Cb 0.03 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 3hce h ASN 106 CO -0.01 1.07 0.24 0.03 -1.06 0.00 0.00 177.43 177.71 3hce h ARG 107 N -0.21 0.00 -0.22 0.81 3.08 -1.22 0.19 114.38 116.82 3hce h ARG 107 Ca -0.04 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.82 3hce h ARG 107 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3hce h ARG 107 CO 0.08 0.00 -0.60 1.96 -1.07 0.00 0.00 179.97 180.34 3hce h GLN 108 N 0.00 0.80 -0.21 0.04 4.20 -1.01 -2.30 115.11 116.63 3hce h GLN 108 Ca 0.16 -0.56 -0.03 0.00 0.06 0.00 0.00 58.65 58.28 3hce h GLN 108 Cb 0.64 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 3hce h GLN 108 CO -0.00 1.18 0.02 1.49 -0.67 0.00 0.00 178.83 180.85 3hce h GLU 109 N 0.54 0.36 -0.64 1.46 4.57 -0.14 -2.17 114.58 118.55 3hce h GLU 109 Ca -0.01 -0.10 0.11 0.00 -1.18 0.00 0.00 59.36 58.17 3hce h GLU 109 Cb 1.22 -0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 29.69 3hce h GLU 109 CO 0.13 0.53 0.22 -0.07 -1.18 0.00 0.00 179.01 178.64 3hce h LEU 110 N 0.14 0.19 -0.39 1.64 3.38 -0.79 -1.89 115.31 117.60 3hce h LEU 110 Ca 0.06 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.20 3hce h LEU 110 Cb 0.35 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 3hce h LEU 110 CO 0.01 0.10 -0.05 1.23 0.09 0.00 0.00 178.44 179.81 3hce h GLY 111 N 0.39 0.33 0.24 0.83 0.00 -1.17 0.23 103.07 103.92 3hce h GLY 111 Ca 0.33 0.09 0.18 0.00 0.00 0.00 0.00 47.33 47.94 3hce h GLY 111 CO -0.35 -0.13 0.61 3.21 0.00 0.00 0.00 176.54 179.89 3hce h ARG 112 N 0.04 0.69 0.00 4.80 3.08 -0.70 -0.18 114.38 122.11 3hce h ARG 112 Ca 0.19 -0.04 -0.21 0.00 0.07 0.00 0.00 59.98 59.99 3hce h ARG 112 Cb 0.28 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 3hce h ARG 112 CO -0.37 0.45 -1.23 2.35 -1.07 0.00 0.00 179.97 180.11 3hce h TRP 113 N 0.71 0.00 -0.20 3.04 7.01 -1.01 -1.08 115.95 124.41 3hce h TRP 113 Ca 0.53 0.00 -0.10 0.00 2.11 0.00 0.00 58.89 61.43 3hce h TRP 113 Cb 0.90 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.95 3hce h TRP 113 CO -0.00 0.82 -0.33 -0.07 -2.79 0.00 0.00 178.44 176.07 3hce h LEU 114 N 0.00 0.43 -2.82 0.65 3.38 0.39 -3.10 115.31 114.24 3hce h LEU 114 Ca -0.13 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3hce h LEU 114 Cb 1.74 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.37 3hce h LEU 114 CO 0.08 0.73 0.00 0.00 0.09 0.00 0.00 178.44 179.35 3hce n GLN 115 N -4.08 2.87 -1.56 1.13 1.13 -0.17 -4.93 117.38 111.77 3hce n GLN 115 Ca -0.01 -2.62 -0.19 0.00 -1.94 0.00 0.00 57.00 52.24 3hce n GLN 115 Cb 0.45 -1.57 -0.08 0.00 0.11 0.00 0.00 30.24 29.14 3hce n GLN 115 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3hce n GLU 116 N 1.42 -1.43 -0.34 -1.09 1.02 -1.12 -4.95 120.64 114.16 3hce n GLU 116 Ca 0.23 1.15 -0.29 0.00 -0.02 0.00 0.00 57.16 58.22 3hce n GLU 116 Cb 0.63 -5.51 0.28 0.00 -0.02 0.00 0.00 31.44 26.83 3hce n GLU 116 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hce n GLU 117 N -2.28 -3.85 -2.31 3.49 1.02 -0.42 -4.94 120.64 111.34 3hce n GLU 117 Ca -0.19 -1.13 -0.41 0.00 -0.02 0.00 0.00 57.16 55.41 3hce n GLU 117 Cb 0.64 -2.03 -0.03 0.00 -0.02 0.00 0.00 31.44 30.00 3hce n GLU 117 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3hce s PRO 118 N -4.73 4.46 0.00 3.49 0.02 -1.26 -3.73 135.00 133.25 3hce s PRO 118 Ca 0.68 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.66 3hce s PRO 118 Cb -0.19 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.13 3hce s PRO 118 CO 0.61 -0.11 0.00 0.41 -0.33 0.00 0.00 177.00 177.58 3hce n GLY 119 N 1.95 0.47 3.63 0.52 0.00 -1.26 -5.02 105.19 105.47 3hce n GLY 119 Ca 0.04 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 3hce n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hce s ALA 120 N -2.00 0.95 0.32 4.61 0.00 -1.24 -5.00 121.76 119.39 3hce s ALA 120 Ca 0.00 0.37 -0.19 0.00 0.00 0.00 0.00 51.96 52.14 3hce s ALA 120 Cb 0.00 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 3hce s ALA 120 CO 0.00 -3.03 0.80 0.12 0.00 0.00 0.00 175.76 173.65 3hce s PHE 121 N -2.61 3.47 -0.56 0.00 5.36 -1.26 -5.02 117.98 117.35 3hce s PHE 121 Ca 0.67 1.41 -0.20 0.00 -0.96 0.00 0.00 56.93 57.85 3hce s PHE 121 Cb -0.23 -2.66 0.08 0.00 -0.34 0.00 0.00 43.02 39.87 3hce s PHE 121 CO 0.60 0.13 0.71 1.21 -1.46 0.00 0.00 175.22 176.41 3hce s ASN 122 N -2.01 6.20 0.00 6.13 2.47 -1.26 -4.86 114.94 121.61 3hce s ASN 122 Ca 0.52 -1.14 0.24 0.00 0.42 0.00 0.00 52.86 52.91 3hce s ASN 122 Cb -0.13 -2.31 0.63 0.00 -1.45 0.00 0.00 41.25 37.99 3hce s ASN 122 CO 0.18 -1.07 1.50 0.79 -3.72 0.00 0.00 177.10 174.79 3hce n TRP 123 N 6.46 0.14 -0.25 0.43 7.02 -1.26 -4.49 117.44 125.49 3hce n TRP 123 Ca -0.07 -0.07 0.05 0.00 -1.02 0.00 0.00 57.50 56.38 3hce n TRP 123 Cb 0.44 0.00 0.18 0.00 -2.42 0.00 0.00 31.31 29.51 3hce n TRP 123 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3hce h SER 124 N 3.35 0.30 0.07 -0.99 4.64 -1.99 0.27 113.55 119.20 3hce h SER 124 Ca 0.00 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 3hce h SER 124 Cb 0.72 0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3hce h SER 124 CO 0.00 0.12 -0.05 0.00 -0.87 0.00 0.00 176.83 176.03 3hce h MET 125 N 0.46 0.00 0.08 4.77 -0.00 -1.98 0.93 114.93 119.19 3hce h MET 125 Ca 0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 60.10 3hce h MET 125 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.20 3hce h MET 125 CO -0.39 0.05 -0.04 1.88 -0.00 0.00 0.00 176.91 178.42 3hce h TYR 126 N 0.00 -0.09 -0.52 -0.10 -1.99 -0.84 -2.66 116.97 110.76 3hce h TYR 126 Ca -0.00 -0.00 0.10 0.00 2.00 0.00 0.00 58.73 60.83 3hce h TYR 126 Cb 0.10 0.03 -0.09 0.00 2.00 0.00 0.00 36.73 38.77 3hce h TYR 126 CO 0.00 0.45 -0.06 0.77 -0.00 0.00 0.00 178.16 179.32 3hce h SER 127 N -0.73 -0.34 -0.48 3.88 0.02 -0.29 0.25 113.55 115.86 3hce h SER 127 Ca -0.01 0.14 0.10 0.00 -0.84 0.00 0.00 61.79 61.18 3hce h SER 127 Cb 0.58 0.27 -0.10 0.00 0.14 0.00 0.00 62.40 63.29 3hce h SER 127 CO 0.02 -0.12 -0.16 1.56 -1.14 0.00 0.00 176.83 176.98 3hce h GLN 128 N 0.06 -0.05 -0.06 3.45 4.20 -0.92 0.74 115.11 122.53 3hce h GLN 128 Ca 0.26 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.84 3hce h GLN 128 Cb 0.40 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3hce h GLN 128 CO -0.48 -0.03 -0.54 0.45 -0.67 0.00 0.00 178.83 177.55 3hce h HIS 129 N -0.05 0.22 -0.59 2.96 3.86 -0.73 0.57 115.15 121.39 3hce h HIS 129 Ca 0.23 -0.08 0.10 0.00 -1.16 0.00 0.00 60.37 59.47 3hce h HIS 129 Cb 0.41 -0.04 -0.08 0.00 1.06 0.00 0.00 27.41 28.76 3hce h HIS 129 CO -0.45 0.68 0.17 0.00 0.86 0.00 0.00 177.93 179.19 3hce h ALA 130 N 1.31 0.72 -0.04 2.45 0.00 0.38 0.11 119.26 124.19 3hce h ALA 130 Ca 0.00 0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.78 3hce h ALA 130 Cb 1.00 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.92 3hce h ALA 130 CO 0.08 -0.26 -0.93 0.00 0.00 0.00 0.00 179.25 178.14 3hce h LEU 132 N 0.37 -0.07 -0.08 0.00 5.85 0.62 -2.81 115.31 119.20 3hce h LEU 132 Ca -0.09 0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.57 3hce h LEU 132 Cb 1.57 0.11 0.01 0.00 0.37 0.00 0.00 40.66 42.72 3hce h LEU 132 CO 0.18 0.00 -0.47 0.40 -0.34 0.00 0.00 178.44 178.21 3hce h ILE 133 N 0.15 1.39 0.00 4.05 2.04 -0.71 -3.13 117.51 121.30 3hce h ILE 133 Ca 0.18 -1.85 -0.02 0.00 1.00 0.00 0.00 64.86 64.18 3hce h ILE 133 Cb 0.23 2.30 -0.00 0.00 -0.74 0.00 0.00 36.82 38.61 3hce h ILE 133 CO -0.26 0.55 -0.08 -0.33 0.00 0.00 0.00 178.15 178.03 3hce h GLU 134 N 0.01 0.00 -2.68 2.37 5.08 -1.32 -3.47 114.58 114.57 3hce h GLU 134 Ca -0.04 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.97 3hce h GLU 134 Cb 1.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 3hce h GLU 134 CO 0.10 0.08 -0.46 0.41 -1.00 0.00 0.00 179.01 178.14 3hce n GLY 135 N -1.05 -0.35 1.36 -3.84 0.00 -1.06 -4.86 105.19 95.39 3hce n GLY 135 Ca -0.02 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.94 3hce n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hce n LYS 136 N -2.79 3.75 -1.77 1.61 4.76 -1.26 -4.92 118.16 117.54 3hce n LYS 136 Ca -0.19 -2.88 -0.14 0.00 -2.87 0.00 0.00 58.31 52.23 3hce n LYS 136 Cb 0.65 -1.93 -0.04 0.00 -1.84 0.00 0.00 35.03 31.87 3hce n LYS 136 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hce n GLY 137 N 0.37 0.66 3.78 0.72 0.00 -1.26 -4.94 105.19 104.52 3hce n GLY 137 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 3hce n GLY 137 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hce s GLU 138 N -3.83 3.78 0.37 1.61 2.12 -1.26 -5.03 118.70 116.45 3hce s GLU 138 Ca 0.00 1.52 -0.08 0.00 0.36 0.00 0.00 54.97 56.78 3hce s GLU 138 Cb 0.00 -2.23 -0.06 0.00 0.26 0.00 0.00 34.13 32.10 3hce s GLU 138 CO 0.00 -0.48 0.69 0.00 -0.54 0.00 0.00 175.26 174.93 3hce h TRP 140 N 1.35 0.00 0.00 0.00 5.08 -1.93 -2.44 115.95 118.01 3hce h TRP 140 Ca -0.47 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.38 3hce h TRP 140 Cb 1.19 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.33 3hce h TRP 140 CO 0.59 0.19 -0.56 1.96 -1.28 0.00 0.00 178.44 179.35 3hce h GLN 141 N 0.00 0.00 -0.35 0.12 7.50 -1.96 -1.74 115.11 118.68 3hce h GLN 141 Ca -0.00 0.00 -0.12 0.00 0.50 0.00 0.00 58.65 59.02 3hce h GLN 141 Cb 0.69 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.21 3hce h GLN 141 CO 0.02 0.56 -0.27 -0.44 -1.50 0.00 0.00 178.83 177.20 3hce h ASP 142 N 0.00 0.84 0.59 1.46 5.19 -1.84 -1.24 116.42 121.42 3hce h ASP 142 Ca -0.01 -0.44 -0.03 0.00 -0.62 0.00 0.00 57.03 55.93 3hce h ASP 142 Cb 1.12 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 40.40 3hce h ASP 142 CO 0.07 1.11 -0.28 0.50 -3.12 0.00 0.00 179.24 177.51 3hce h LYS 143 N 0.58 -0.77 -0.91 3.56 1.63 -1.32 0.51 116.57 119.86 3hce h LYS 143 Ca 0.07 0.05 0.18 0.00 -0.85 0.00 0.00 60.65 60.10 3hce h LYS 143 Cb 0.84 0.17 -0.07 0.00 -0.60 0.00 0.00 32.23 32.57 3hce h LYS 143 CO 0.07 -0.45 0.59 0.93 -3.45 0.00 0.00 179.45 177.14 3hce h GLU 144 N -1.01 0.51 -0.20 1.90 5.08 -1.37 -0.60 114.58 118.90 3hce h GLU 144 Ca -0.08 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.12 3hce h GLU 144 Cb 0.67 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3hce h GLU 144 CO 0.13 0.34 -0.36 -0.09 -1.00 0.00 0.00 179.01 178.03 3hce h ARG 145 N 0.53 0.59 -0.84 2.33 2.43 -0.82 -1.54 114.38 117.07 3hce h ARG 145 Ca 0.48 -0.37 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3hce h ARG 145 Cb 1.01 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.55 3hce h ARG 145 CO -0.21 0.98 0.55 0.37 -1.51 0.00 0.00 179.97 180.15 3hce h GLN 146 N 0.27 1.08 0.23 0.20 4.15 0.24 -1.40 115.11 119.89 3hce h GLN 146 Ca 0.01 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 3hce h GLN 146 Cb 0.95 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.40 3hce h GLN 146 CO 0.08 0.72 -0.11 1.25 -1.93 0.00 0.00 178.83 178.83 3hce h LEU 147 N 1.12 -0.27 -0.92 -2.39 5.85 -1.09 -1.91 115.31 115.70 3hce h LEU 147 Ca 0.31 0.01 0.28 0.00 0.84 0.00 0.00 57.88 59.32 3hce h LEU 147 Cb -0.10 0.07 -0.17 0.00 0.37 0.00 0.00 40.66 40.82 3hce h LEU 147 CO -0.08 -0.17 0.11 0.54 -0.34 0.00 0.00 178.44 178.50 3hce n ARG 148 N -2.93 -0.07 -0.09 1.25 1.74 -0.59 -0.25 116.66 115.72 3hce n ARG 148 Ca -0.04 1.36 -0.10 0.00 -0.77 0.00 0.00 57.85 58.30 3hce n ARG 148 Cb 0.12 -2.21 -0.03 0.00 -1.02 0.00 0.00 32.46 29.32 3hce n ARG 148 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hce h ALA 149 N 1.84 0.36 0.00 7.54 0.00 -1.25 -3.27 119.26 124.48 3hce h ALA 149 Ca 0.60 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3hce h ALA 149 Cb 1.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3hce h ALA 149 CO -0.84 -0.01 0.00 0.54 0.00 0.00 0.00 179.25 178.94 3hce n ARG 150 N -4.72 0.06 -2.72 0.00 1.74 0.65 -4.47 116.66 107.20 3hce n ARG 150 Ca -0.03 0.08 -0.42 0.00 -0.77 0.00 0.00 57.85 56.71 3hce n ARG 150 Cb 0.16 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 29.99 3hce n ARG 150 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hce s VAL 151 N -3.03 4.10 0.04 1.55 1.01 -0.52 -0.83 120.40 122.71 3hce s VAL 151 Ca 0.12 0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.17 3hce s VAL 151 Cb 0.17 -4.74 -0.31 0.00 0.00 0.00 0.00 36.38 31.50 3hce s VAL 151 CO 0.52 -1.53 1.01 0.11 0.00 0.00 0.00 175.10 175.22 3hce h LYS 152 N 9.68 0.36 -2.58 2.72 1.79 -1.62 -3.48 116.57 123.43 3hce h LYS 152 Ca -0.28 -0.61 -0.10 0.00 -2.18 0.00 0.00 60.65 57.49 3hce h LYS 152 Cb 1.06 0.23 -0.22 0.00 -1.58 0.00 0.00 32.23 31.72 3hce h LYS 152 CO 1.20 1.27 -0.14 -0.98 -1.08 0.00 0.00 179.45 179.73 3hce s ARG 153 N -2.63 0.63 -0.29 3.15 1.70 -1.25 -5.09 118.95 115.18 3hce s ARG 153 Ca -0.07 0.50 -0.06 0.00 -0.47 0.00 0.00 55.73 55.62 3hce s ARG 153 Cb 0.06 0.30 0.01 0.00 -0.57 0.00 0.00 34.95 34.75 3hce s ARG 153 CO 0.89 -0.11 0.07 0.08 -1.08 0.00 0.00 175.30 175.15 3hce s VAL 154 N -0.14 3.85 0.02 4.99 1.01 -1.26 -0.83 120.40 128.04 3hce s VAL 154 Ca -0.03 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3hce s VAL 154 Cb -0.03 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3hce s VAL 154 CO 0.02 0.09 -0.18 -0.76 0.00 0.00 0.00 175.10 174.27 3hce s LEU 155 N 1.48 2.61 0.52 3.92 1.43 0.20 -4.97 118.68 123.87 3hce s LEU 155 Ca 0.02 -0.38 -0.21 0.00 -1.03 0.00 0.00 54.13 52.53 3hce s LEU 155 Cb -0.17 -1.52 -0.06 0.00 0.03 0.00 0.00 46.19 44.46 3hce s LEU 155 CO 0.02 0.27 1.15 -2.16 0.23 0.00 0.00 176.35 175.86 3hce s PRO 156 N -1.27 3.48 -0.12 1.29 0.04 -1.26 -1.50 135.00 135.66 3hce s PRO 156 Ca 0.14 1.69 -0.20 0.00 0.04 0.00 0.00 61.00 62.67 3hce s PRO 156 Cb -0.10 -2.15 0.05 0.00 0.04 0.00 0.00 34.50 32.33 3hce s PRO 156 CO 0.04 -0.77 0.50 -1.50 0.04 0.00 0.00 177.00 175.32 3hce s ILE 157 N -1.67 0.01 -0.15 0.56 2.07 -1.12 -4.78 121.20 116.12 3hce s ILE 157 Ca 0.70 -0.12 -0.02 0.00 -1.41 0.00 0.00 60.65 59.80 3hce s ILE 157 Cb -0.26 -0.76 0.04 0.00 0.13 0.00 0.00 42.46 41.61 3hce s ILE 157 CO 0.30 -0.07 -0.01 -0.62 -1.91 0.00 0.00 174.94 172.64 3hce s ASP 158 N -0.47 2.53 0.00 4.50 -1.08 -0.93 -3.69 116.67 117.53 3hce s ASP 158 Ca -0.06 -0.57 0.30 0.00 -0.52 0.00 0.00 52.55 51.70 3hce s ASP 158 Cb -0.03 -0.67 1.46 0.00 -1.46 0.00 0.00 42.92 42.22 3hce s ASP 158 CO 0.04 -0.23 2.02 1.33 0.52 0.00 0.00 175.17 178.85 3hce n VAL 159 N 5.01 0.01 0.09 1.11 0.24 -1.26 -2.73 118.33 120.80 3hce n VAL 159 Ca -0.09 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.22 3hce n VAL 159 Cb 0.48 -0.51 -0.02 0.00 -1.47 0.00 0.00 33.84 32.32 3hce n VAL 159 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 3hce h HIS 160 N 0.00 0.00 -3.97 6.34 3.86 -1.95 -3.40 115.15 116.04 3hce h HIS 160 Ca 0.00 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.71 3hce h HIS 160 Cb 0.32 0.00 0.05 0.00 1.06 0.00 0.00 27.41 28.84 3hce h HIS 160 CO 0.00 0.53 0.47 -0.65 0.86 0.00 0.00 177.93 179.14 3hce s GLN 161 N -2.95 3.98 0.23 2.45 -1.52 -1.11 -4.94 119.66 115.80 3hce s GLN 161 Ca 0.01 1.71 0.23 0.00 -1.95 0.00 0.00 55.36 55.37 3hce s GLN 161 Cb 0.08 -2.53 0.93 0.00 -0.22 0.00 0.00 33.01 31.27 3hce s GLN 161 CO 0.77 -0.35 1.71 -2.30 -0.25 0.00 0.00 175.29 174.87 3hce n PRO 162 N -0.18 0.19 -3.71 2.91 -0.02 -1.26 -3.43 135.00 129.50 3hce n PRO 162 Ca 0.06 0.37 -0.28 0.00 -2.02 0.00 0.00 63.50 61.63 3hce n PRO 162 Cb 0.48 -1.83 -0.12 0.00 -0.02 0.00 0.00 33.50 32.01 3hce n PRO 162 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3hce s GLN 163 N -3.26 1.72 0.35 -0.52 -0.21 -1.26 -4.89 119.66 111.60 3hce s GLN 163 Ca 0.06 -2.66 0.08 0.00 0.02 0.00 0.00 55.36 52.85 3hce s GLN 163 Cb 0.10 -2.58 0.79 0.00 1.00 0.00 0.00 33.01 32.32 3hce s GLN 163 CO 0.42 -1.28 1.89 -1.35 -2.12 0.00 0.00 175.29 172.84 3hce h PRO 164 N 5.80 0.70 0.00 2.91 0.11 -1.71 -0.18 132.00 139.63 3hce h PRO 164 Ca 0.14 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 3hce h PRO 164 Cb 0.84 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 3hce h PRO 164 CO 0.56 0.46 -0.19 -0.07 -0.21 0.00 0.00 178.00 178.56 3hce h LEU 165 N 0.72 0.00 0.00 2.35 3.38 -1.86 -2.46 115.31 117.44 3hce h LEU 165 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3hce h LEU 165 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3hce h LEU 165 CO -0.18 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.01 3hce n GLY 166 N 1.12 -0.56 0.06 0.83 0.00 -0.08 -4.73 105.19 101.83 3hce n GLY 166 Ca 0.03 -2.18 -0.03 0.00 0.00 0.00 0.00 46.02 43.84 3hce n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hce h ALA 167 N 0.00 0.00 -2.22 4.61 0.00 -1.97 -3.42 119.26 116.26 3hce h ALA 167 Ca 0.00 -0.37 -0.70 0.00 0.00 0.00 0.00 54.91 53.84 3hce h ALA 167 Cb 0.00 0.34 -0.35 0.00 0.00 0.00 0.00 17.79 17.78 3hce h ALA 167 CO 0.00 0.34 0.03 0.41 0.00 0.00 0.00 179.25 180.03 3hce n GLY 168 N 1.67 4.81 3.75 0.00 0.00 -1.26 -5.05 105.19 109.12 3hce n GLY 168 Ca -0.05 -2.70 -0.40 0.00 0.00 0.00 0.00 46.02 42.87 3hce n GLY 168 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hce s SER 169 N -1.75 7.24 0.00 1.61 1.04 -1.26 -4.93 113.70 115.65 3hce s SER 169 Ca 0.34 1.48 0.00 0.00 0.48 0.00 0.00 55.95 58.25 3hce s SER 169 Cb 0.07 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.72 3hce s SER 169 CO 0.01 0.05 0.22 -2.65 0.98 0.00 0.00 173.24 171.84 3hce n PRO 170 N 2.61 0.23 -3.40 4.02 -0.02 -1.26 -4.71 135.00 132.47 3hce n PRO 170 Ca -0.03 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.07 3hce n PRO 170 Cb 0.50 -1.02 -0.07 0.00 -0.02 0.00 0.00 33.50 32.89 3hce n PRO 170 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hce s ALA 171 N -1.87 3.55 0.10 3.55 0.00 -1.26 -5.02 121.76 120.82 3hce s ALA 171 Ca 0.00 -0.50 -0.34 0.00 0.00 0.00 0.00 51.96 51.13 3hce s ALA 171 Cb 0.00 -2.61 -0.13 0.00 0.00 0.00 0.00 23.12 20.38 3hce s ALA 171 CO 0.00 -0.24 1.69 -2.30 0.00 0.00 0.00 175.76 174.91 3hce n PRO 172 N 4.33 2.27 -4.35 0.00 -0.02 -1.26 -4.96 135.00 131.00 3hce n PRO 172 Ca -0.09 0.82 -0.25 0.00 -2.02 0.00 0.00 63.50 61.97 3hce n PRO 172 Cb 0.51 -2.63 -0.13 0.00 -0.02 0.00 0.00 33.50 31.23 3hce n PRO 172 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hce s LEU 173 N 1.90 2.29 0.35 2.45 1.43 -1.26 -3.97 118.68 121.86 3hce s LEU 173 Ca 0.82 -0.68 -0.17 0.00 -1.03 0.00 0.00 54.13 53.07 3hce s LEU 173 Cb -0.65 -0.95 -0.10 0.00 0.03 0.00 0.00 46.19 44.52 3hce s LEU 173 CO 0.41 0.09 0.80 -2.16 0.23 0.00 0.00 176.35 175.72 3hce s PRO 174 N -1.84 4.10 0.65 1.29 0.04 -1.26 -5.13 135.00 132.85 3hce s PRO 174 Ca 0.08 0.83 -0.17 0.00 0.04 0.00 0.00 61.00 61.78 3hce s PRO 174 Cb -0.10 -2.38 -0.01 0.00 0.04 0.00 0.00 34.50 32.05 3hce s PRO 174 CO 0.04 0.11 1.18 0.00 0.04 0.00 0.00 177.00 178.37 3hce s ALA 175 N -2.01 2.40 -0.29 8.56 0.00 0.78 -4.56 121.76 126.64 3hce s ALA 175 Ca 0.56 0.84 0.19 0.00 0.00 0.00 0.00 51.96 53.55 3hce s ALA 175 Cb -0.10 -3.42 0.21 0.00 0.00 0.00 0.00 23.12 19.81 3hce s ALA 175 CO 0.16 -1.38 1.53 -0.44 0.00 0.00 0.00 175.76 175.63 3hce h ASP 176 N 0.34 0.00 -5.01 0.00 3.45 -1.62 -1.66 116.42 111.92 3hce h ASP 176 Ca -0.49 0.00 0.04 0.00 0.43 0.00 0.00 57.03 57.02 3hce h ASP 176 Cb 1.28 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 39.97 3hce h ASP 176 CO 0.53 0.26 0.24 0.00 -1.57 0.00 0.00 179.24 178.70 3hce s ALA 177 N -3.09 -1.38 0.10 3.45 0.00 -1.17 -3.15 121.76 116.52 3hce s ALA 177 Ca 0.05 0.01 0.07 0.00 0.00 0.00 0.00 51.96 52.10 3hce s ALA 177 Cb 0.06 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 24.00 3hce s ALA 177 CO 0.71 -0.94 -0.18 -0.51 0.00 0.00 0.00 175.76 174.83 3hce s LEU 178 N -2.85 2.31 -0.04 0.00 1.43 0.51 -2.03 118.68 118.01 3hce s LEU 178 Ca 0.07 -0.69 0.02 0.00 -1.03 0.00 0.00 54.13 52.51 3hce s LEU 178 Cb -0.04 -0.75 0.01 0.00 0.03 0.00 0.00 46.19 45.44 3hce s LEU 178 CO -0.00 -0.00 -0.09 -0.69 0.23 0.00 0.00 176.35 175.79 3hce s VAL 179 N -1.32 0.86 -0.15 -1.59 1.01 -0.70 -0.14 120.40 118.38 3hce s VAL 179 Ca 0.05 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 3hce s VAL 179 Cb -0.09 -0.78 0.06 0.00 0.00 0.00 0.00 36.38 35.56 3hce s VAL 179 CO 0.04 0.28 0.35 -0.55 0.00 0.00 0.00 175.10 175.21 3hce s SER 180 N 0.41 -0.40 -0.14 3.32 0.15 -0.07 -1.07 113.70 115.91 3hce s SER 180 Ca -0.07 0.76 0.01 0.00 0.70 0.00 0.00 55.95 57.35 3hce s SER 180 Cb -0.11 0.66 0.02 0.00 -1.71 0.00 0.00 66.02 64.87 3hce s SER 180 CO 0.01 -0.19 -0.17 0.00 1.20 0.00 0.00 173.24 174.09 3hce s ALA 181 N 1.42 1.98 -1.10 5.45 0.00 -1.25 -0.70 121.76 127.56 3hce s ALA 181 Ca -0.09 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 3hce s ALA 181 Cb -0.09 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.03 3hce s ALA 181 CO -0.11 -0.22 0.37 1.19 0.00 0.00 0.00 175.76 176.99 3hce n PHE 182 N 4.44 -1.28 0.00 0.00 3.01 0.90 -4.91 117.46 119.63 3hce n PHE 182 Ca -0.19 0.32 0.00 0.00 1.01 0.00 0.00 57.45 58.59 3hce n PHE 182 Cb 0.51 -3.39 0.00 0.00 -0.01 0.00 0.00 39.48 36.59 3hce n PHE 182 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hce h LEU 184 N 0.00 -1.28 -1.61 0.00 3.38 -1.92 0.64 115.31 114.52 3hce h LEU 184 Ca 0.00 0.19 0.16 0.00 0.09 0.00 0.00 57.88 58.32 3hce h LEU 184 Cb 0.00 0.56 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3hce h LEU 184 CO 0.00 -0.14 0.70 -2.24 0.09 0.00 0.00 178.44 176.84 3hce h ASP 185 N -0.01 0.00 0.11 -0.43 3.04 -1.93 -1.26 116.42 115.93 3hce h ASP 185 Ca 0.09 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.88 3hce h ASP 185 Cb 0.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.54 3hce h ASP 185 CO -0.55 0.00 -1.19 0.00 -2.04 0.00 0.00 179.24 175.47 3hce n ALA 186 N -2.22 4.03 0.13 4.15 0.00 0.21 -3.46 120.51 123.35 3hce n ALA 186 Ca 0.11 -0.53 0.02 0.00 0.00 0.00 0.00 53.44 53.03 3hce n ALA 186 Cb 0.89 -0.82 0.01 0.00 0.00 0.00 0.00 19.45 19.53 3hce n ALA 186 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3hce n VAL 187 N -1.75 0.02 -3.91 0.00 0.24 -0.40 -4.84 118.33 107.69 3hce n VAL 187 Ca 0.02 -0.51 -0.36 0.00 -2.04 0.00 0.00 64.34 61.46 3hce n VAL 187 Cb 0.40 1.06 -0.12 0.00 -1.47 0.00 0.00 33.84 33.71 3hce n VAL 187 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3hce s SER 188 N -0.28 5.17 0.40 -1.34 0.01 -0.93 -4.97 113.70 111.77 3hce s SER 188 Ca 0.04 -0.14 0.09 0.00 1.31 0.00 0.00 55.95 57.25 3hce s SER 188 Cb 0.03 -1.91 0.84 0.00 0.21 0.00 0.00 66.02 65.19 3hce s SER 188 CO 0.04 0.04 1.97 1.55 0.41 0.00 0.00 173.24 177.25 3hce h PRO 189 N 7.69 0.30 -3.58 12.44 0.13 -1.92 -3.07 132.00 143.99 3hce h PRO 189 Ca -0.37 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.67 3hce h PRO 189 Cb 1.18 -0.05 -0.09 0.00 0.13 0.00 0.00 31.00 32.16 3hce h PRO 189 CO 0.61 0.34 -0.09 0.16 -0.23 0.00 0.00 178.00 178.79 3hce s ASP 190 N -6.85 -0.11 0.12 1.44 1.47 -1.26 -4.33 116.67 107.16 3hce s ASP 190 Ca -0.06 -0.86 -0.30 0.00 1.18 0.00 0.00 52.55 52.51 3hce s ASP 190 Cb 0.16 0.59 -0.07 0.00 -0.34 0.00 0.00 42.92 43.25 3hce s ASP 190 CO 0.73 -1.14 1.58 0.25 0.68 0.00 0.00 175.17 177.27 3hce h LEU 191 N 2.24 -1.32 -0.60 2.11 6.46 -1.94 -1.48 115.31 120.78 3hce h LEU 191 Ca -0.26 0.16 0.12 0.00 -0.12 0.00 0.00 57.88 57.79 3hce h LEU 191 Cb 1.25 0.52 -0.10 0.00 -0.73 0.00 0.00 40.66 41.60 3hce h LEU 191 CO 0.35 -0.45 0.01 0.00 -0.62 0.00 0.00 178.44 177.73 3hce h ALA 192 N -0.01 0.59 -0.96 1.25 0.00 -1.99 0.61 119.26 118.76 3hce h ALA 192 Ca 0.06 0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.23 3hce h ALA 192 Cb 0.65 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 3hce h ALA 192 CO -0.35 -0.38 0.62 1.03 0.00 0.00 0.00 179.25 180.16 3hce h SER 193 N 0.13 0.93 0.52 0.00 0.87 -1.75 0.17 113.55 114.42 3hce h SER 193 Ca 0.31 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.88 3hce h SER 193 Cb 0.49 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 3hce h SER 193 CO -0.50 0.55 -0.34 0.15 -0.53 0.00 0.00 176.83 176.16 3hce h PHE 194 N 1.03 -0.90 -1.00 2.24 3.57 -0.09 -1.90 116.94 119.89 3hce h PHE 194 Ca 0.44 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 62.09 3hce h PHE 194 Cb 0.33 0.33 -0.09 0.00 2.79 0.00 0.00 35.95 39.30 3hce h PHE 194 CO -0.00 -0.51 0.62 0.37 -2.23 0.00 0.00 178.31 176.56 3hce h GLN 195 N -0.83 0.85 -0.02 1.11 5.75 0.14 -1.05 115.11 121.06 3hce h GLN 195 Ca -0.06 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.32 3hce h GLN 195 Cb 0.68 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.05 3hce h GLN 195 CO 0.05 0.56 -0.27 0.00 -2.65 0.00 0.00 178.83 176.52 3hce h ARG 196 N 0.87 0.21 -0.94 1.69 3.08 -0.94 -1.75 114.38 116.60 3hce h ARG 196 Ca 0.53 -0.20 0.26 0.00 0.07 0.00 0.00 59.98 60.64 3hce h ARG 196 Cb 0.70 0.05 -0.17 0.00 0.08 0.00 0.00 29.97 30.63 3hce h ARG 196 CO -0.31 0.91 0.08 0.00 -1.07 0.00 0.00 179.97 179.58 3hce h ALA 197 N 0.31 1.18 0.13 0.04 0.00 -0.86 0.18 119.26 120.24 3hce h ALA 197 Ca -0.03 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3hce h ALA 197 Cb 0.99 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3hce h ALA 197 CO 0.05 -0.55 -0.06 1.25 0.00 0.00 0.00 179.25 179.93 3hce h LEU 198 N 0.05 -0.15 -0.75 0.00 5.85 -0.97 -2.41 115.31 116.93 3hce h LEU 198 Ca 0.58 -0.12 0.17 0.00 0.84 0.00 0.00 57.88 59.35 3hce h LEU 198 Cb 1.20 0.04 -0.13 0.00 0.37 0.00 0.00 40.66 42.14 3hce h LEU 198 CO -0.84 0.03 0.06 0.44 -0.34 0.00 0.00 178.44 177.79 3hce h ASP 199 N -0.33 -0.24 0.03 1.25 3.32 -0.17 -0.84 116.42 119.44 3hce h ASP 199 Ca -0.02 0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.22 3hce h ASP 199 Cb 0.26 0.30 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3hce h ASP 199 CO 0.03 -0.14 -0.06 0.45 -1.72 0.00 0.00 179.24 177.80 3hce h HIS 200 N 0.14 -0.15 -0.03 4.55 3.86 -0.26 -2.62 115.15 120.65 3hce h HIS 200 Ca 0.42 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.48 3hce h HIS 200 Cb 0.74 0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.26 3hce h HIS 200 CO -0.37 -0.09 -0.66 -0.84 0.86 0.00 0.00 177.93 176.83 3hce h ILE 201 N -0.12 1.43 0.00 2.45 3.07 -1.24 -2.93 117.51 120.18 3hce h ILE 201 Ca 0.01 -2.17 0.00 0.00 1.55 0.00 0.00 64.86 64.26 3hce h ILE 201 Cb 0.13 2.14 0.00 0.00 -0.27 0.00 0.00 36.82 38.82 3hce h ILE 201 CO -0.04 0.63 0.02 0.74 -1.05 0.00 0.00 178.15 178.45 3hce h THR 202 N 0.10 0.00 0.00 0.16 2.02 -0.77 0.14 112.91 114.56 3hce h THR 202 Ca -0.01 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 3hce h THR 202 Cb 1.18 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 3hce h THR 202 CO 0.10 0.00 -0.23 0.71 0.37 0.00 0.00 175.52 176.47 3hce h THR 203 N 0.00 0.53 0.00 3.16 1.35 -1.36 -2.93 112.91 113.67 3hce h THR 203 Ca 0.00 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 3hce h THR 203 Cb 0.05 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 3hce h THR 203 CO 0.00 0.22 0.00 -0.07 -0.25 0.00 0.00 175.52 175.42 3hce h LEU 204 N 0.00 0.00 -8.98 3.87 3.38 -0.89 -3.44 115.31 109.25 3hce h LEU 204 Ca -0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.35 3hce h LEU 204 Cb 0.80 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.43 3hce h LEU 204 CO 0.03 0.00 0.04 -0.22 0.09 0.00 0.00 178.44 178.38 3hce s LEU 205 N -6.16 4.05 0.45 1.67 2.96 -1.11 -0.15 118.68 120.40 3hce s LEU 205 Ca 0.06 0.58 -0.23 0.00 -0.22 0.00 0.00 54.13 54.32 3hce s LEU 205 Cb 0.06 -2.72 -0.10 0.00 0.50 0.00 0.00 46.19 43.92 3hce s LEU 205 CO 0.65 -0.31 0.83 -1.14 -1.32 0.00 0.00 176.35 175.06 3hce n ARG 206 N 5.59 1.00 -1.76 1.98 0.63 -0.63 -4.88 116.66 118.61 3hce n ARG 206 Ca -0.03 0.37 -0.42 0.00 -0.92 0.00 0.00 57.85 56.85 3hce n ARG 206 Cb 0.49 -1.87 -0.03 0.00 0.45 0.00 0.00 32.46 31.50 3hce n ARG 206 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3hce s PRO 207 N -1.97 4.14 0.00 -0.14 0.02 -1.26 -1.53 135.00 134.26 3hce s PRO 207 Ca 0.65 2.56 0.00 0.00 0.02 0.00 0.00 61.00 64.23 3hce s PRO 207 Cb -0.55 -3.40 0.00 0.00 0.02 0.00 0.00 34.50 30.58 3hce s PRO 207 CO 0.56 -0.79 0.00 0.41 -0.33 0.00 0.00 177.00 176.85 3hce n GLY 208 N 4.10 0.47 3.73 0.52 0.00 0.48 -5.03 105.19 109.45 3hce n GLY 208 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3hce n GLY 208 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hce s GLY 209 N -2.09 1.61 0.04 -0.02 0.00 -0.58 -4.62 107.32 101.66 3hce s GLY 209 Ca 0.00 -0.78 0.07 0.00 0.00 0.00 0.00 44.72 44.01 3hce s GLY 209 CO 0.00 -0.06 -0.17 0.30 0.00 0.00 0.00 173.10 173.18 3hce s HIS 210 N -3.25 2.60 -0.16 1.90 3.76 -1.19 -1.79 115.29 117.16 3hce s HIS 210 Ca 0.68 -0.23 0.01 0.00 -0.15 0.00 0.00 55.06 55.37 3hce s HIS 210 Cb -0.12 -1.48 0.01 0.00 1.11 0.00 0.00 32.58 32.10 3hce s HIS 210 CO 0.55 0.26 -0.18 -1.17 -0.85 0.00 0.00 174.74 173.35 3hce s LEU 211 N -1.43 2.31 -0.37 0.89 2.96 0.34 -0.36 118.68 123.03 3hce s LEU 211 Ca 0.15 -0.55 -0.09 0.00 -0.22 0.00 0.00 54.13 53.43 3hce s LEU 211 Cb -0.11 -1.52 0.04 0.00 0.50 0.00 0.00 46.19 45.11 3hce s LEU 211 CO 0.05 0.06 0.17 -0.76 -1.32 0.00 0.00 176.35 174.56 3hce s LEU 212 N 0.95 4.62 -0.08 -0.68 1.43 0.80 0.22 118.68 125.94 3hce s LEU 212 Ca -0.03 -1.14 0.05 0.00 -1.03 0.00 0.00 54.13 51.98 3hce s LEU 212 Cb -0.15 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.12 3hce s LEU 212 CO -0.03 -0.38 -0.24 -0.22 0.23 0.00 0.00 176.35 175.70 3hce s LEU 213 N 1.47 2.06 -0.03 1.79 2.96 0.62 -0.89 118.68 126.67 3hce s LEU 213 Ca 0.01 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.43 3hce s LEU 213 Cb -0.20 -1.36 -0.01 0.00 0.50 0.00 0.00 46.19 45.13 3hce s LEU 213 CO 0.04 0.18 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.48 3hce s ILE 214 N 0.16 1.22 0.00 6.68 1.01 0.13 0.10 121.20 130.51 3hce s ILE 214 Ca -0.13 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 59.89 3hce s ILE 214 Cb -0.16 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.27 3hce s ILE 214 CO 0.07 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.97 3hce n GLY 215 N 2.97 2.28 3.85 6.18 0.00 -0.86 -0.07 105.19 119.54 3hce n GLY 215 Ca -0.16 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 3hce n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hce s ALA 216 N -1.13 3.51 -0.21 4.61 0.00 -1.26 -1.22 121.76 126.07 3hce s ALA 216 Ca 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 3hce s ALA 216 Cb 0.00 -2.57 -0.03 0.00 0.00 0.00 0.00 23.12 20.53 3hce s ALA 216 CO 0.00 0.44 0.02 -0.51 0.00 0.00 0.00 175.76 175.70 3hce s LEU 217 N -2.39 3.33 -1.50 0.00 1.43 -0.54 -4.55 118.68 114.46 3hce s LEU 217 Ca 0.44 -0.18 -0.13 0.00 -1.03 0.00 0.00 54.13 53.23 3hce s LEU 217 Cb -0.13 -1.85 0.07 0.00 0.03 0.00 0.00 46.19 44.31 3hce s LEU 217 CO 0.20 0.05 0.96 -0.62 0.23 0.00 0.00 176.35 177.17 3hce n GLU 218 N 4.32 -5.67 -3.50 1.70 -0.58 0.70 -2.01 120.64 115.59 3hce n GLU 218 Ca -0.17 0.63 -0.37 0.00 -0.42 0.00 0.00 57.16 56.83 3hce n GLU 218 Cb 0.52 -5.54 -0.06 0.00 -0.57 0.00 0.00 31.44 25.79 3hce n GLU 218 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3hce s GLU 219 N -6.51 4.07 -0.03 3.49 2.12 -1.26 -4.11 118.70 116.48 3hce s GLU 219 Ca 0.63 0.27 0.07 0.00 0.36 0.00 0.00 54.97 56.30 3hce s GLU 219 Cb -0.31 -3.33 -0.10 0.00 0.26 0.00 0.00 34.13 30.65 3hce s GLU 219 CO 0.78 0.44 0.11 -1.13 -0.54 0.00 0.00 175.26 174.92 3hce n SER 220 N 2.78 3.41 -4.09 -1.70 3.41 -1.26 -2.21 113.62 113.97 3hce n SER 220 Ca -0.12 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.38 3hce n SER 220 Cb 0.52 1.10 -0.08 0.00 -0.26 0.00 0.00 64.21 65.50 3hce n SER 220 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 3hce s TRP 221 N -2.38 0.72 -0.25 7.33 1.48 -1.26 0.44 118.94 125.01 3hce s TRP 221 Ca -0.03 -1.02 -0.26 0.00 -1.06 0.00 0.00 56.10 53.73 3hce s TRP 221 Cb 0.04 -0.16 0.11 0.00 -1.16 0.00 0.00 33.47 32.30 3hce s TRP 221 CO 0.28 -0.82 0.96 1.52 -4.06 0.00 0.00 176.95 174.83 3hce s TYR 222 N -4.08 -0.52 0.34 1.66 -0.85 -0.97 -3.53 117.35 109.41 3hce s TYR 222 Ca 0.29 1.22 -0.05 0.00 -0.52 0.00 0.00 57.07 58.01 3hce s TYR 222 Cb 0.03 0.36 -0.05 0.00 0.38 0.00 0.00 41.96 42.68 3hce s TYR 222 CO 0.10 -0.28 0.62 -0.51 -1.52 0.00 0.00 175.55 173.96 3hce s LEU 223 N 0.02 3.95 -0.36 -3.49 1.43 -0.07 -2.59 118.68 117.58 3hce s LEU 223 Ca 0.01 0.79 0.13 0.00 -1.03 0.00 0.00 54.13 54.04 3hce s LEU 223 Cb -0.04 -3.64 0.41 0.00 0.03 0.00 0.00 46.19 42.94 3hce s LEU 223 CO -0.03 -0.30 1.05 0.00 0.23 0.00 0.00 176.35 177.30 3hce n ALA 224 N -1.27 2.18 0.00 4.21 0.00 -1.11 -4.79 120.51 119.73 3hce n ALA 224 Ca -0.01 -2.48 0.00 0.00 0.00 0.00 0.00 53.44 50.95 3hce n ALA 224 Cb 0.54 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3hce n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hce n GLY 225 N -0.13 0.91 0.08 0.00 0.00 -1.26 -0.86 105.19 103.93 3hce n GLY 225 Ca 0.08 -1.12 -0.07 0.00 0.00 0.00 0.00 46.02 44.91 3hce n GLY 225 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hce h GLU 226 N 0.00 0.04 -6.87 1.61 4.39 -1.96 -3.46 114.58 108.32 3hce h GLU 226 Ca 0.00 -0.06 -0.52 0.00 0.34 0.00 0.00 59.36 59.12 3hce h GLU 226 Cb 0.00 0.02 0.07 0.00 -0.10 0.00 0.00 28.75 28.74 3hce h GLU 226 CO 0.00 0.97 0.67 0.00 -1.16 0.00 0.00 179.01 179.49 3hce s ALA 227 N -2.84 3.52 -0.26 3.43 0.00 -1.21 -5.00 121.76 119.39 3hce s ALA 227 Ca 0.00 1.30 -0.00 0.00 0.00 0.00 0.00 51.96 53.26 3hce s ALA 227 Cb 0.10 -3.50 0.08 0.00 0.00 0.00 0.00 23.12 19.80 3hce s ALA 227 CO 0.82 -0.69 0.03 0.50 0.00 0.00 0.00 175.76 176.42 3hce s ARG 228 N -1.63 1.09 -0.03 0.00 3.00 -1.26 -2.75 118.95 117.36 3hce s ARG 228 Ca 0.51 -1.00 -0.20 0.00 -1.00 0.00 0.00 55.73 54.04 3hce s ARG 228 Cb -0.41 -2.35 -0.05 0.00 0.00 0.00 0.00 34.95 32.14 3hce s ARG 228 CO 0.53 -0.78 0.56 -0.51 0.00 0.00 0.00 175.30 175.10 3hce s LEU 229 N 1.51 4.39 -0.10 -0.88 2.01 -1.07 -4.97 118.68 119.58 3hce s LEU 229 Ca 0.02 1.08 -0.10 0.00 0.01 0.00 0.00 54.13 55.15 3hce s LEU 229 Cb -0.18 -2.86 -0.05 0.00 0.01 0.00 0.00 46.19 43.12 3hce s LEU 229 CO -0.13 0.09 0.22 -0.89 1.01 0.00 0.00 176.35 176.64 3hce s THR 230 N -0.05 5.37 0.04 5.49 2.01 -1.26 -2.29 115.64 124.95 3hce s THR 230 Ca 0.30 0.39 -0.03 0.00 0.31 0.00 0.00 61.69 62.65 3hce s THR 230 Cb -0.17 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.81 3hce s THR 230 CO 0.16 0.57 0.03 -0.69 -0.69 0.00 0.00 174.62 174.00 3hce s VAL 231 N -0.78 0.16 -0.47 3.82 1.01 0.17 -4.80 120.40 119.51 3hce s VAL 231 Ca 0.17 -1.33 -0.21 0.00 0.00 0.00 0.00 61.98 60.60 3hce s VAL 231 Cb -0.13 -1.05 0.04 0.00 0.00 0.00 0.00 36.38 35.24 3hce s VAL 231 CO 0.06 -0.74 0.68 0.54 0.00 0.00 0.00 175.10 175.64 3hce s VAL 232 N -2.98 4.77 -0.57 2.92 0.11 -1.16 -4.46 120.40 119.02 3hce s VAL 232 Ca -0.02 -0.01 -0.26 0.00 -2.93 0.00 0.00 61.98 58.76 3hce s VAL 232 Cb 0.01 -4.28 -0.08 0.00 -1.53 0.00 0.00 36.38 30.51 3hce s VAL 232 CO -0.06 -0.72 2.34 -2.16 -3.33 0.00 0.00 175.10 171.16 3hce s PRO 233 N 2.94 2.06 0.39 1.54 0.04 -0.94 -4.72 135.00 136.31 3hce s PRO 233 Ca 0.22 1.10 -0.02 0.00 0.04 0.00 0.00 61.00 62.34 3hce s PRO 233 Cb -0.15 -4.62 -0.04 0.00 0.04 0.00 0.00 34.50 29.73 3hce s PRO 233 CO 0.17 -3.46 0.64 0.14 0.04 0.00 0.00 177.00 174.53 3hce s VAL 234 N 12.36 5.02 0.42 -0.36 -7.23 -1.26 -4.59 120.40 124.76 3hce s VAL 234 Ca 0.93 -0.15 0.07 0.00 -1.81 0.00 0.00 61.98 61.01 3hce s VAL 234 Cb -0.15 -3.85 -0.06 0.00 0.56 0.00 0.00 36.38 32.88 3hce s VAL 234 CO 0.21 -0.64 0.09 -0.94 -0.31 0.00 0.00 175.10 173.51 3hce s SER 235 N -3.95 4.13 0.07 4.85 1.04 -1.26 -0.22 113.70 118.37 3hce s SER 235 Ca 0.43 -1.27 -0.33 0.00 0.48 0.00 0.00 55.95 55.26 3hce s SER 235 Cb -0.10 -0.35 -0.18 0.00 0.10 0.00 0.00 66.02 65.49 3hce s SER 235 CO 0.38 -0.53 1.62 -0.08 0.98 0.00 0.00 173.24 175.61 3hce h GLU 236 N 1.58 -0.89 -1.00 4.02 4.81 -1.99 -1.71 114.58 119.40 3hce h GLU 236 Ca -0.43 0.06 0.22 0.00 -0.13 0.00 0.00 59.36 59.07 3hce h GLU 236 Cb 1.25 0.20 -0.12 0.00 0.63 0.00 0.00 28.75 30.72 3hce h GLU 236 CO 0.76 -0.59 0.60 0.93 -0.73 0.00 0.00 179.01 179.97 3hce h GLU 237 N -0.92 0.65 -0.67 1.92 5.08 -1.99 -0.19 114.58 118.46 3hce h GLU 237 Ca -0.08 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 3hce h GLU 237 Cb 0.73 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 3hce h GLU 237 CO 0.11 0.43 0.30 0.93 -1.00 0.00 0.00 179.01 179.78 3hce h GLU 238 N 0.67 0.97 -0.38 2.33 5.08 -1.90 0.01 114.58 121.36 3hce h GLU 238 Ca 0.61 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.77 3hce h GLU 238 Cb 1.05 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 3hce h GLU 238 CO -0.43 0.78 0.08 0.28 -1.00 0.00 0.00 179.01 178.72 3hce h VAL 239 N 0.93 1.23 0.34 3.13 2.07 -0.32 -1.93 116.25 121.70 3hce h VAL 239 Ca 0.23 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 3hce h VAL 239 Cb 0.15 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3hce h VAL 239 CO -0.03 0.28 -0.52 -0.09 0.02 0.00 0.00 177.57 177.23 3hce h ARG 240 N 0.46 -0.87 -0.70 1.57 2.43 -0.77 -2.12 114.38 114.38 3hce h ARG 240 Ca 0.12 0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.44 3hce h ARG 240 Cb 0.34 0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 30.04 3hce h ARG 240 CO 0.00 -0.58 0.46 0.93 -1.51 0.00 0.00 179.97 179.27 3hce h GLU 241 N -0.90 0.54 0.03 0.20 5.08 -0.96 -1.01 114.58 117.55 3hce h GLU 241 Ca -0.04 -0.03 -0.24 0.00 -1.00 0.00 0.00 59.36 58.05 3hce h GLU 241 Cb 0.83 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.96 3hce h GLU 241 CO -0.16 0.36 -1.02 0.00 -1.00 0.00 0.00 179.01 177.19 3hce h ALA 242 N 1.65 0.27 -0.54 3.43 0.00 -1.15 -1.05 119.26 121.87 3hce h ALA 242 Ca 0.32 -0.74 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 3hce h ALA 242 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3hce h ALA 242 CO -0.11 0.81 -0.02 -0.07 0.00 0.00 0.00 179.25 179.87 3hce h LEU 243 N 0.23 0.95 0.45 0.00 3.38 -0.85 -2.40 115.31 117.07 3hce h LEU 243 Ca -0.10 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 3hce h LEU 243 Cb 1.68 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.17 3hce h LEU 243 CO 0.18 1.03 -0.27 0.58 0.09 0.00 0.00 178.44 180.06 3hce h VAL 244 N 0.84 0.45 -1.01 1.22 2.07 -1.06 -1.22 116.25 117.54 3hce h VAL 244 Ca 0.15 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.91 3hce h VAL 244 Cb 0.56 0.45 -0.11 0.00 -1.52 0.00 0.00 31.29 30.66 3hce h VAL 244 CO 0.03 0.00 0.61 0.03 0.02 0.00 0.00 177.57 178.27 3hce h ARG 245 N -0.68 0.55 0.00 1.57 3.08 -1.18 0.37 114.38 118.09 3hce h ARG 245 Ca -0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3hce h ARG 245 Cb 0.55 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3hce h ARG 245 CO 0.06 0.37 0.00 0.43 -1.07 0.00 0.00 179.97 179.76 3hce n SER 246 N -4.81 0.00 -0.05 7.04 7.64 -0.91 -4.88 113.62 117.66 3hce n SER 246 Ca 0.26 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.65 3hce n SER 246 Cb 0.75 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 3hce n SER 246 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hce n GLY 247 N 0.94 1.20 3.72 0.23 0.00 0.13 -4.97 105.19 106.44 3hce n GLY 247 Ca 0.17 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3hce n GLY 247 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hce s TYR 248 N -2.10 3.04 -0.27 1.61 2.02 -0.49 -2.40 117.35 118.76 3hce s TYR 248 Ca 0.00 -0.02 -0.14 0.00 -0.37 0.00 0.00 57.07 56.54 3hce s TYR 248 Cb 0.00 -1.53 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 3hce s TYR 248 CO 0.00 0.50 0.34 0.21 -1.57 0.00 0.00 175.55 175.03 3hce s LYS 249 N -2.53 4.00 -0.43 -0.62 2.20 0.41 -4.39 119.74 118.37 3hce s LYS 249 Ca 0.28 -0.04 -0.29 0.00 -0.36 0.00 0.00 55.97 55.56 3hce s LYS 249 Cb -0.11 -3.66 0.02 0.00 -1.51 0.00 0.00 37.83 32.57 3hce s LYS 249 CO 0.20 -0.26 1.23 0.08 -0.36 0.00 0.00 175.35 176.24 3hce s VAL 250 N 2.01 4.13 -0.01 4.02 1.01 -1.26 -1.04 120.40 129.26 3hce s VAL 250 Ca 0.13 1.18 -0.03 0.00 0.00 0.00 0.00 61.98 63.26 3hce s VAL 250 Cb -0.16 -4.43 -0.28 0.00 0.00 0.00 0.00 36.38 31.52 3hce s VAL 250 CO 0.10 -0.84 0.82 0.03 0.00 0.00 0.00 175.10 175.21 3hce h ARG 251 N 9.60 0.24 -2.23 2.72 2.47 -1.30 -3.48 114.38 122.40 3hce h ARG 251 Ca -0.24 -0.42 -0.04 0.00 -1.26 0.00 0.00 59.98 58.01 3hce h ARG 251 Cb 1.08 0.16 -0.22 0.00 -1.65 0.00 0.00 29.97 29.33 3hce h ARG 251 CO 1.10 1.10 -0.04 0.34 0.56 0.00 0.00 179.97 183.02 3hce s ASP 252 N -6.96 -0.73 -0.08 7.04 2.15 -1.00 -4.96 116.67 112.14 3hce s ASP 252 Ca -0.10 1.28 -0.02 0.00 0.43 0.00 0.00 52.55 54.14 3hce s ASP 252 Cb 0.07 1.22 0.03 0.00 -0.30 0.00 0.00 42.92 43.94 3hce s ASP 252 CO 0.85 -0.22 0.04 -0.22 -0.17 0.00 0.00 175.17 175.45 3hce s LEU 253 N 1.01 0.41 0.09 -1.34 2.96 -1.26 0.03 118.68 120.58 3hce s LEU 253 Ca -0.05 -0.12 0.06 0.00 -0.22 0.00 0.00 54.13 53.79 3hce s LEU 253 Cb -0.05 -0.30 -0.03 0.00 0.50 0.00 0.00 46.19 46.30 3hce s LEU 253 CO -0.09 -0.24 -0.15 -0.13 -1.32 0.00 0.00 176.35 174.41 3hce s ARG 254 N 2.07 0.91 -0.09 1.98 0.52 0.31 -4.98 118.95 119.67 3hce s ARG 254 Ca 0.04 -1.05 0.02 0.00 -0.52 0.00 0.00 55.73 54.23 3hce s ARG 254 Cb -0.13 -0.92 0.01 0.00 0.52 0.00 0.00 34.95 34.43 3hce s ARG 254 CO -0.05 0.20 -0.15 0.99 0.02 0.00 0.00 175.30 176.32 3hce s THR 255 N -1.45 1.39 -0.18 0.02 2.01 -1.26 -1.12 115.64 115.06 3hce s THR 255 Ca 0.02 -0.60 -0.05 0.00 0.31 0.00 0.00 61.69 61.36 3hce s THR 255 Cb -0.09 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 3hce s THR 255 CO 0.03 0.42 0.01 -0.47 -0.69 0.00 0.00 174.62 173.91 3hce s TYR 256 N 0.84 3.11 -0.21 4.92 5.04 0.27 -4.96 117.35 126.35 3hce s TYR 256 Ca -0.10 -0.21 -0.16 0.00 -2.44 0.00 0.00 57.07 54.16 3hce s TYR 256 Cb -0.15 -2.04 -0.04 0.00 0.35 0.00 0.00 41.96 40.08 3hce s TYR 256 CO 0.01 -0.02 0.40 0.42 -1.34 0.00 0.00 175.55 175.02 3hce s ILE 257 N 0.54 5.19 -0.01 3.14 1.01 -1.26 0.11 121.20 129.93 3hce s ILE 257 Ca -0.00 0.69 -0.30 0.00 0.00 0.00 0.00 60.65 61.04 3hce s ILE 257 Cb -0.14 -3.73 -0.07 0.00 0.01 0.00 0.00 42.46 38.54 3hce s ILE 257 CO 0.02 0.23 1.66 -0.32 0.00 0.00 0.00 174.94 176.53 3hce s MET 258 N 1.46 4.19 0.60 2.79 -2.45 -0.49 -4.93 119.30 120.47 3hce s MET 258 Ca 0.18 2.25 -0.15 0.00 -1.25 0.00 0.00 55.69 56.73 3hce s MET 258 Cb -0.15 -3.86 -0.04 0.00 1.25 0.00 0.00 34.83 32.04 3hce s MET 258 CO 0.08 -0.80 1.04 -2.14 1.05 0.00 0.00 175.02 174.25 3hce s PRO 259 N 3.55 3.37 0.31 4.11 0.02 -1.26 -4.86 135.00 140.24 3hce s PRO 259 Ca 0.74 1.09 0.03 0.00 0.02 0.00 0.00 61.00 62.88 3hce s PRO 259 Cb -0.36 -2.04 0.79 0.00 0.02 0.00 0.00 34.50 32.91 3hce s PRO 259 CO 0.31 -0.76 1.58 0.00 -0.33 0.00 0.00 177.00 177.80 3hce h ALA 260 N 0.27 1.25 -0.26 -1.55 0.00 -1.96 0.90 119.26 117.91 3hce h ALA 260 Ca -0.46 0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hce h ALA 260 Cb 1.21 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3hce h ALA 260 CO 0.58 -0.59 0.00 -2.39 0.00 0.00 0.00 179.25 176.85 3hce n HIS 261 N -5.44 0.34 0.49 0.00 1.44 -1.26 -1.86 115.22 108.93 3hce n HIS 261 Ca 0.24 -0.17 0.06 0.00 -2.01 0.00 0.00 57.72 55.84 3hce n HIS 261 Cb 0.79 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.95 3hce n HIS 261 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3hce n LEU 262 N 0.38 2.02 -4.61 2.39 4.77 0.30 -4.90 117.00 117.36 3hce n LEU 262 Ca 0.13 -1.02 -0.41 0.00 -0.03 0.00 0.00 56.01 54.68 3hce n LEU 262 Cb 0.30 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 3hce n LEU 262 CO 0.10 0.38 0.48 -1.10 -1.33 0.00 0.00 177.39 175.92 3hce s GLN 263 N -1.01 3.93 -0.00 3.23 -0.21 -0.77 -4.92 119.66 119.90 3hce s GLN 263 Ca 0.14 0.43 0.01 0.00 0.02 0.00 0.00 55.36 55.96 3hce s GLN 263 Cb 0.10 -3.73 0.01 0.00 1.00 0.00 0.00 33.01 30.39 3hce s GLN 263 CO 0.15 -0.62 0.72 0.25 -2.12 0.00 0.00 175.29 173.67 3hce n THR 264 N 5.46 0.39 -1.29 -0.19 -2.24 -1.26 -5.02 114.28 110.13 3hce n THR 264 Ca 0.01 -0.40 -0.09 0.00 -2.27 0.00 0.00 64.05 61.30 3hce n THR 264 Cb 0.48 0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 69.44 3hce n THR 264 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hce n GLY 265 N -0.21 1.08 0.39 3.38 0.00 -1.26 -4.81 105.19 103.75 3hce n GLY 265 Ca 0.01 -0.61 0.10 0.00 0.00 0.00 0.00 46.02 45.52 3hce n GLY 265 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hce n VAL 266 N -2.76 0.00 -3.54 1.61 0.24 -1.26 -4.95 118.33 107.67 3hce n VAL 266 Ca -0.09 -0.23 -0.00 0.00 -2.04 0.00 0.00 64.34 61.97 3hce n VAL 266 Cb 0.31 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 3hce n VAL 266 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3hce n ASP 267 N -0.30 -0.06 -0.00 -1.34 5.68 -1.26 -0.89 116.55 118.38 3hce n ASP 267 Ca 0.08 -1.03 0.00 0.00 -0.50 0.00 0.00 54.79 53.34 3hce n ASP 267 Cb 0.42 0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 3hce n ASP 267 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3hce n ASP 268 N -0.50 0.78 -4.50 -1.12 3.85 -1.23 -4.73 116.55 109.09 3hce n ASP 268 Ca -0.00 -1.40 -0.47 0.00 -0.71 0.00 0.00 54.79 52.21 3hce n ASP 268 Cb 0.02 -0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 39.76 3hce n ASP 268 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 3hce n VAL 269 N -0.20 1.82 -0.05 2.12 3.14 -1.26 -4.72 118.33 119.18 3hce n VAL 269 Ca 0.00 -0.46 -0.01 0.00 -2.96 0.00 0.00 64.34 60.91 3hce n VAL 269 Cb 0.40 -0.52 -0.13 0.00 -1.06 0.00 0.00 33.84 32.54 3hce n VAL 269 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3hce n LYS 270 N 0.97 1.09 -3.01 1.45 4.76 -0.85 -4.89 118.16 117.67 3hce n LYS 270 Ca 0.14 -0.07 -0.03 0.00 -2.87 0.00 0.00 58.31 55.49 3hce n LYS 270 Cb 0.27 -1.40 0.02 0.00 -1.84 0.00 0.00 35.03 32.08 3hce n LYS 270 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hce n GLY 271 N 1.85 0.94 2.92 0.72 0.00 -1.21 -1.39 105.19 109.02 3hce n GLY 271 Ca -0.16 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.64 3hce n GLY 271 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hce s VAL 272 N -2.27 0.02 0.14 1.61 1.01 0.31 -1.47 120.40 119.76 3hce s VAL 272 Ca 0.14 -0.20 0.10 0.00 0.00 0.00 0.00 61.98 62.03 3hce s VAL 272 Cb -0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.22 3hce s VAL 272 CO 0.05 -0.11 -0.23 0.72 0.00 0.00 0.00 175.10 175.52 3hce s PHE 273 N -0.32 2.38 -0.03 5.22 -0.12 -0.36 -0.56 117.98 124.18 3hce s PHE 273 Ca -0.04 -0.34 0.02 0.00 -0.05 0.00 0.00 56.93 56.53 3hce s PHE 273 Cb -0.02 -1.25 0.01 0.00 -0.63 0.00 0.00 43.02 41.12 3hce s PHE 273 CO -0.00 0.39 -0.09 0.12 -0.05 0.00 0.00 175.22 175.59 3hce s PHE 274 N -1.24 0.98 -0.04 3.49 5.36 -0.27 -2.02 117.98 124.23 3hce s PHE 274 Ca 0.17 -0.27 0.00 0.00 -0.96 0.00 0.00 56.93 55.88 3hce s PHE 274 Cb -0.10 -0.72 0.02 0.00 -0.34 0.00 0.00 43.02 41.89 3hce s PHE 274 CO 0.08 -0.13 -0.02 0.00 -1.46 0.00 0.00 175.22 173.70 3hce s ALA 275 N 0.34 0.51 -0.38 11.12 0.00 0.29 -0.53 121.76 133.10 3hce s ALA 275 Ca -0.06 0.04 -0.07 0.00 0.00 0.00 0.00 51.96 51.87 3hce s ALA 275 Cb -0.10 -0.42 0.07 0.00 0.00 0.00 0.00 23.12 22.66 3hce s ALA 275 CO 0.01 -0.11 0.19 -0.46 0.00 0.00 0.00 175.76 175.38 3hce s TRP 276 N 1.13 3.33 0.02 0.00 -0.00 0.10 -0.28 118.94 123.25 3hce s TRP 276 Ca -0.08 -1.60 0.09 0.00 -0.00 0.00 0.00 56.10 54.51 3hce s TRP 276 Cb -0.14 -2.71 -0.03 0.00 -0.00 0.00 0.00 33.47 30.60 3hce s TRP 276 CO -0.01 -0.82 -0.26 0.00 -0.00 0.00 0.00 176.95 175.86 3hce s ALA 277 N 1.38 2.23 -0.09 5.86 0.00 0.13 -0.73 121.76 130.54 3hce s ALA 277 Ca 0.02 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 50.80 3hce s ALA 277 Cb -0.22 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 3hce s ALA 277 CO 0.02 0.53 -0.18 -1.14 0.00 0.00 0.00 175.76 174.99 3hce s GLN 278 N -0.97 2.91 -0.25 0.00 0.74 -0.21 0.13 119.66 122.01 3hce s GLN 278 Ca 0.11 -0.76 -0.27 0.00 0.05 0.00 0.00 55.36 54.49 3hce s GLN 278 Cb -0.10 -2.41 0.01 0.00 1.10 0.00 0.00 33.01 31.60 3hce s GLN 278 CO 0.01 0.36 0.96 0.21 -0.55 0.00 0.00 175.29 176.28 3hce s LYS 279 N -0.06 4.19 0.00 1.67 2.20 -0.74 0.15 119.74 127.15 3hce s LYS 279 Ca -0.04 1.13 0.03 0.00 -0.36 0.00 0.00 55.97 56.73 3hce s LYS 279 Cb -0.14 -3.66 0.18 0.00 -1.51 0.00 0.00 37.83 32.70 3hce s LYS 279 CO 0.04 -0.63 0.66 1.33 -0.36 0.00 0.00 175.35 176.39