#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i8d s SER 3 N 0.00 3.95 0.21 1.61 1.04 -1.26 -4.93 113.70 114.32 2i8d s SER 3 Ca 0.00 -1.24 -0.08 0.00 0.48 0.00 0.00 55.95 55.11 2i8d s SER 3 Cb 0.00 -0.41 0.16 0.00 0.10 0.00 0.00 66.02 65.86 2i8d s SER 3 CO 0.00 -0.37 1.79 0.25 0.98 0.00 0.00 173.24 175.89 2i8d h LEU 4 N 1.79 1.06 -0.83 2.42 5.85 -1.98 -2.05 115.31 121.56 2i8d h LEU 4 Ca -0.43 -0.15 0.13 0.00 0.84 0.00 0.00 57.88 58.26 2i8d h LEU 4 Cb 1.25 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 41.92 2i8d h LEU 4 CO 0.75 0.91 0.44 0.00 -0.34 0.00 0.00 178.44 180.21 2i8d h ALA 5 N 1.18 1.23 -0.12 1.25 0.00 -2.01 -2.43 119.26 118.37 2i8d h ALA 5 Ca 0.27 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.09 2i8d h ALA 5 Cb 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2i8d h ALA 5 CO -0.03 -0.03 -0.59 0.93 0.00 0.00 0.00 179.25 179.53 2i8d h GLU 6 N 0.67 0.38 -0.49 0.00 5.08 -1.81 -3.03 114.58 115.38 2i8d h GLU 6 Ca 0.44 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 2i8d h GLU 6 Cb 0.55 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2i8d h GLU 6 CO -0.32 0.85 0.16 2.35 -1.00 0.00 0.00 179.01 181.05 2i8d h TRP 7 N 0.28 0.79 -0.30 4.33 7.01 -0.97 -2.39 115.95 124.70 2i8d h TRP 7 Ca -0.00 -0.08 -0.01 0.00 2.11 0.00 0.00 58.89 60.92 2i8d h TRP 7 Cb 1.11 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.92 2i8d h TRP 7 CO 0.03 0.68 0.16 1.88 -2.79 0.00 0.00 178.44 178.40 2i8d h TYR 8 N 0.66 0.39 0.00 2.65 0.05 -1.42 -0.60 116.97 118.71 2i8d h TYR 8 Ca 0.16 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.94 2i8d h TYR 8 Cb 0.26 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 37.87 2i8d h TYR 8 CO 0.01 0.28 0.00 1.04 -1.05 0.00 0.00 178.16 178.44 2i8d n GLN 9 N -4.45 0.21 0.00 4.88 3.00 -0.91 -2.13 117.38 117.98 2i8d n GLN 9 Ca 0.01 0.41 0.14 0.00 -0.01 0.00 0.00 57.00 57.55 2i8d n GLN 9 Cb 0.10 -1.88 0.63 0.00 0.00 0.00 0.00 30.24 29.09 2i8d n GLN 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2i8d n ARG 10 N -2.28 0.51 -2.47 -1.09 1.74 -0.23 -4.80 116.66 108.03 2i8d n ARG 10 Ca 0.02 -0.13 -0.42 0.00 -0.77 0.00 0.00 57.85 56.55 2i8d n ARG 10 Cb 0.26 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.17 2i8d n ARG 10 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2i8d s ILE 11 N -2.58 4.26 0.21 0.55 1.01 -0.90 -4.81 121.20 118.94 2i8d s ILE 11 Ca 0.26 1.59 -0.10 0.00 0.00 0.00 0.00 60.65 62.41 2i8d s ILE 11 Cb 0.20 -4.02 0.15 0.00 0.01 0.00 0.00 42.46 38.80 2i8d s ILE 11 CO 0.49 0.04 1.86 -0.65 0.00 0.00 0.00 174.94 176.68 2i8d h PRO 12 N 7.25 0.92 -4.96 2.79 0.11 -1.87 -3.45 132.00 132.79 2i8d h PRO 12 Ca -0.36 -0.06 -0.31 0.00 0.11 0.00 0.00 66.00 65.38 2i8d h PRO 12 Cb 1.18 -0.21 -0.17 0.00 0.11 0.00 0.00 31.00 31.91 2i8d h PRO 12 CO 0.85 0.61 -0.72 0.95 -0.21 0.00 0.00 178.00 179.48 2i8d s THR 13 N -6.12 0.98 0.27 -1.15 -4.23 -1.26 -5.04 115.64 99.08 2i8d s THR 13 Ca -0.13 -1.78 -0.01 0.00 -1.18 0.00 0.00 61.69 58.60 2i8d s THR 13 Cb 0.15 -1.52 0.25 0.00 1.34 0.00 0.00 72.50 72.72 2i8d s THR 13 CO 0.78 -0.64 1.74 -0.65 -0.54 0.00 0.00 174.62 175.31 2i8d h PRO 14 N 3.30 0.52 -0.57 3.99 0.11 -1.99 -0.25 132.00 137.11 2i8d h PRO 14 Ca -0.37 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.66 2i8d h PRO 14 Cb 1.19 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 2i8d h PRO 14 CO 0.57 0.34 0.17 -0.44 -0.21 0.00 0.00 178.00 178.43 2i8d h ASP 15 N 0.53 0.80 -0.56 -2.05 3.32 -1.99 -0.27 116.42 116.21 2i8d h ASP 15 Ca 0.48 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.33 2i8d h ASP 15 Cb 0.74 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 2i8d h ASP 15 CO -0.41 0.76 0.08 0.44 -1.72 0.00 0.00 179.24 178.39 2i8d h ASP 16 N 0.84 0.90 -0.78 6.45 3.32 -1.69 -1.68 116.42 123.77 2i8d h ASP 16 Ca 0.19 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 2i8d h ASP 16 Cb 0.26 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 2i8d h ASP 16 CO -0.01 0.93 0.38 0.25 -1.72 0.00 0.00 179.24 179.08 2i8d h LEU 17 N 0.82 1.02 -0.66 1.55 5.85 -0.73 -1.80 115.31 121.36 2i8d h LEU 17 Ca 0.17 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.79 2i8d h LEU 17 Cb 0.43 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2i8d h LEU 17 CO 0.01 0.87 0.40 0.74 -0.34 0.00 0.00 178.44 180.12 2i8d h THR 18 N 1.10 1.07 -0.18 1.05 2.02 -0.88 0.02 112.91 117.12 2i8d h THR 18 Ca 0.27 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2i8d h THR 18 Cb 0.11 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 2i8d h THR 18 CO -0.03 0.14 0.11 -0.09 0.37 0.00 0.00 175.52 176.02 2i8d h ARG 19 N 0.79 0.23 -0.32 6.66 2.43 -0.93 -0.89 114.38 122.36 2i8d h ARG 19 Ca 0.27 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 2i8d h ARG 19 Cb 0.03 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2i8d h ARG 19 CO -0.11 0.16 0.08 0.28 -1.51 0.00 0.00 179.97 178.88 2i8d h VAL 20 N 0.23 1.22 -0.74 0.20 2.07 -1.05 -0.83 116.25 117.34 2i8d h VAL 20 Ca 0.06 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 66.92 2i8d h VAL 20 Cb -0.02 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 2i8d h VAL 20 CO -0.01 0.24 0.45 -0.33 0.02 0.00 0.00 177.57 177.93 2i8d h GLU 21 N 0.35 0.82 -0.42 1.57 5.08 -0.89 -0.56 114.58 120.53 2i8d h GLU 21 Ca 0.10 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 2i8d h GLU 21 Cb 0.28 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2i8d h GLU 21 CO -0.00 0.54 -0.02 0.77 -1.00 0.00 0.00 179.01 179.30 2i8d h SER 22 N 0.84 0.75 0.13 1.42 0.02 -1.04 -1.24 113.55 114.43 2i8d h SER 22 Ca 0.32 -0.32 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2i8d h SER 22 Cb 0.12 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 2i8d h SER 22 CO -0.15 0.89 -0.16 0.25 -1.14 0.00 0.00 176.83 176.51 2i8d h LEU 23 N 0.59 -0.45 -0.36 5.07 5.85 -0.81 0.63 115.31 125.83 2i8d h LEU 23 Ca 0.12 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.91 2i8d h LEU 23 Cb 0.52 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 2i8d h LEU 23 CO 0.03 -0.24 0.17 -0.26 -0.34 0.00 0.00 178.44 177.79 2i8d h PHE 24 N -0.34 0.31 -0.38 1.25 0.04 -1.04 -2.85 116.94 113.92 2i8d h PHE 24 Ca 0.01 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2i8d h PHE 24 Cb 0.34 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 2i8d h PHE 24 CO -0.15 0.16 0.24 0.00 -0.60 0.00 0.00 178.31 177.95 2i8d h ALA 25 N 1.20 0.49 0.00 2.45 0.00 -1.05 -1.20 119.26 121.15 2i8d h ALA 25 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2i8d h ALA 25 Cb 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2i8d h ALA 25 CO -0.12 -0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.19 2i8d n ASN 26 N -4.80 0.43 0.00 0.00 3.02 0.20 -1.38 115.26 112.73 2i8d n ASN 26 Ca 0.00 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 2i8d n ASN 26 Cb 0.04 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 2i8d n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2i8d n GLN 28 N 0.63 0.00 -0.16 3.52 6.02 -0.45 -1.09 117.38 125.84 2i8d n GLN 28 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.93 2i8d n GLN 28 Cb 0.08 0.00 0.11 0.00 1.02 0.00 0.00 30.24 31.45 2i8d n GLN 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2i8d h ALA 29 N 0.00 1.03 0.00 -1.58 0.00 -1.47 -2.82 119.26 114.41 2i8d h ALA 29 Ca 0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 2i8d h ALA 29 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2i8d h ALA 29 CO 0.00 0.61 -0.44 1.96 0.00 0.00 0.00 179.25 181.38 2i8d h GLN 30 N 0.87 0.00 -2.33 0.00 4.20 -1.38 -3.38 115.11 113.10 2i8d h GLN 30 Ca 0.17 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.29 2i8d h GLN 30 Cb 0.45 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 27.84 2i8d h GLN 30 CO 0.02 0.44 -0.95 1.19 -0.67 0.00 0.00 178.83 178.86 2i8d n PHE 31 N -3.23 -0.06 0.33 2.96 3.72 -1.17 -5.00 117.46 115.01 2i8d n PHE 31 Ca 0.02 -3.53 0.22 0.00 -0.05 0.00 0.00 57.45 54.10 2i8d n PHE 31 Cb 0.70 -0.05 1.11 0.00 -0.94 0.00 0.00 39.48 40.29 2i8d n PHE 31 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2i8d h PRO 32 N 5.06 0.00 0.00 -1.08 0.11 -1.69 -1.96 132.00 132.44 2i8d h PRO 32 Ca 0.20 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 2i8d h PRO 32 Cb 0.87 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 2i8d h PRO 32 CO 0.46 0.00 -0.08 -0.56 -0.21 0.00 0.00 178.00 177.61 2i8d h GLN 33 N 0.00 0.00 -6.90 1.05 -0.00 -1.95 -3.46 115.11 103.85 2i8d h GLN 33 Ca -0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 58.13 2i8d h GLN 33 Cb 0.11 0.00 0.07 0.00 -0.00 0.00 0.00 27.48 27.66 2i8d h GLN 33 CO 0.00 0.08 0.63 -0.51 -0.00 0.00 0.00 178.83 179.03 2i8d s LEU 34 N -6.31 4.35 -0.16 0.06 1.43 -0.74 -4.75 118.68 112.56 2i8d s LEU 34 Ca 0.04 2.68 -0.05 0.00 -1.03 0.00 0.00 54.13 55.77 2i8d s LEU 34 Cb 0.07 -3.74 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 2i8d s LEU 34 CO 0.63 -0.65 -0.00 -0.75 0.23 0.00 0.00 176.35 175.81 2i8d s LYS 35 N -1.96 3.74 -0.47 1.70 2.20 0.02 -4.94 119.74 120.03 2i8d s LYS 35 Ca 0.52 -0.45 -0.19 0.00 -0.36 0.00 0.00 55.97 55.49 2i8d s LYS 35 Cb -0.39 -3.01 0.04 0.00 -1.51 0.00 0.00 37.83 32.96 2i8d s LYS 35 CO 0.52 0.28 0.55 -1.17 -0.36 0.00 0.00 175.35 175.17 2i8d s LEU 36 N 0.28 4.91 0.30 5.43 2.96 -1.26 -0.69 118.68 130.61 2i8d s LEU 36 Ca -0.01 -0.78 0.08 0.00 -0.22 0.00 0.00 54.13 53.20 2i8d s LEU 36 Cb -0.13 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 2i8d s LEU 36 CO 0.02 -0.76 0.17 -1.61 -1.32 0.00 0.00 176.35 172.85 2i8d s GLU 37 N 2.43 2.63 -0.27 1.98 2.02 -1.26 -5.01 118.70 121.22 2i8d s GLU 37 Ca 0.14 -1.29 0.02 0.00 0.02 0.00 0.00 54.97 53.86 2i8d s GLU 37 Cb -0.18 -2.38 0.06 0.00 0.10 0.00 0.00 34.13 31.73 2i8d s GLU 37 CO 0.13 0.25 -0.09 0.12 0.02 0.00 0.00 175.26 175.69 2i8d s PHE 38 N -2.28 3.27 0.00 1.61 5.36 -1.26 -4.22 117.98 120.46 2i8d s PHE 38 Ca 0.36 -2.27 0.01 0.00 -0.96 0.00 0.00 56.93 54.06 2i8d s PHE 38 Cb -0.06 -1.97 -0.00 0.00 -0.34 0.00 0.00 43.02 40.65 2i8d s PHE 38 CO 0.24 -0.87 -0.02 0.15 -1.46 0.00 0.00 175.22 173.26 2i8d s LYS 39 N 1.12 0.19 -1.63 10.12 1.02 -0.23 -4.81 119.74 125.52 2i8d s LYS 39 Ca -0.08 -0.16 -0.11 0.00 0.02 0.00 0.00 55.97 55.63 2i8d s LYS 39 Cb -0.20 -0.13 0.10 0.00 -0.52 0.00 0.00 37.83 37.08 2i8d s LYS 39 CO -0.04 0.03 0.51 0.91 -0.92 0.00 0.00 175.35 175.83 2i8d n TRP 40 N 2.80 -1.52 -1.84 3.18 8.01 -1.26 -1.60 117.44 125.21 2i8d n TRP 40 Ca -0.14 0.73 -0.16 0.00 -1.31 0.00 0.00 57.50 56.62 2i8d n TRP 40 Cb 0.59 -2.92 -0.04 0.00 -2.01 0.00 0.00 31.31 26.93 2i8d n TRP 40 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 2i8d n ASN 41 N -2.75 -4.81 -3.83 -0.99 5.15 -1.26 -5.00 115.26 101.77 2i8d n ASN 41 Ca -0.09 0.21 -0.11 0.00 -0.60 0.00 0.00 54.58 53.98 2i8d n ASN 41 Cb 0.57 -3.81 -0.09 0.00 -0.53 0.00 0.00 39.78 35.93 2i8d n ASN 41 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2i8d s GLN 42 N -3.99 0.64 1.15 1.20 -2.07 -0.63 -5.00 119.66 110.96 2i8d s GLN 42 Ca 0.00 -0.48 -0.17 0.00 -1.82 0.00 0.00 55.36 52.89 2i8d s GLN 42 Cb 0.00 0.27 0.26 0.00 -1.09 0.00 0.00 33.01 32.45 2i8d s GLN 42 CO 0.00 -0.18 1.09 -2.14 -1.32 0.00 0.00 175.29 172.75 2i8d s PRO 43 N -2.02 -0.81 -0.09 9.60 0.02 -1.26 -1.06 135.00 139.38 2i8d s PRO 43 Ca -0.09 0.15 0.02 0.00 0.02 0.00 0.00 61.00 61.10 2i8d s PRO 43 Cb -0.04 -1.62 -0.02 0.00 0.02 0.00 0.00 34.50 32.84 2i8d s PRO 43 CO -0.01 -3.48 -0.16 -0.06 -0.33 0.00 0.00 177.00 172.96 2i8d s PHE 45 N -2.94 2.69 0.14 6.54 0.08 -1.26 -2.01 117.98 121.22 2i8d s PHE 45 Ca 0.69 -0.51 0.07 0.00 0.12 0.00 0.00 56.93 57.29 2i8d s PHE 45 Cb -0.13 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 2i8d s PHE 45 CO 0.57 -0.09 -0.15 0.95 -0.10 0.00 0.00 175.22 176.40 2i8d s THR 46 N -0.11 1.50 -0.06 0.64 -4.23 0.14 -0.96 115.64 112.56 2i8d s THR 46 Ca -0.03 -1.80 -0.01 0.00 -1.18 0.00 0.00 61.69 58.68 2i8d s THR 46 Cb -0.14 -1.65 0.03 0.00 1.34 0.00 0.00 72.50 72.08 2i8d s THR 46 CO 0.04 -0.39 0.01 -0.62 -0.54 0.00 0.00 174.62 173.12 2i8d s ASP 47 N -2.54 1.29 -1.53 3.99 2.15 -0.08 -0.80 116.67 119.15 2i8d s ASP 47 Ca 0.11 -0.05 -0.01 0.00 0.43 0.00 0.00 52.55 53.03 2i8d s ASP 47 Cb -0.05 -0.36 0.01 0.00 -0.30 0.00 0.00 42.92 42.23 2i8d s ASP 47 CO 0.04 -0.18 0.04 0.00 -0.17 0.00 0.00 175.17 174.90 2i8d n HIS 48 N 4.94 -1.22 -1.14 -5.34 1.44 -1.26 -1.11 115.22 111.52 2i8d n HIS 48 Ca -0.11 0.60 -0.04 0.00 -2.01 0.00 0.00 57.72 56.16 2i8d n HIS 48 Cb 0.50 -2.66 -0.02 0.00 0.12 0.00 0.00 29.99 27.93 2i8d n HIS 48 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2i8d n GLY 49 N -2.45 0.66 3.21 -1.39 0.00 -1.26 -5.03 105.19 98.92 2i8d n GLY 49 Ca -0.29 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 44.59 2i8d n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2i8d s THR 50 N -2.14 1.47 0.15 2.61 -4.23 -0.27 -5.12 115.64 108.10 2i8d s THR 50 Ca 0.00 -1.08 -0.31 0.00 -1.18 0.00 0.00 61.69 59.12 2i8d s THR 50 Cb 0.00 -1.28 -0.08 0.00 1.34 0.00 0.00 72.50 72.48 2i8d s THR 50 CO 0.00 0.17 1.38 0.12 -0.54 0.00 0.00 174.62 175.76 2i8d s PHE 51 N -0.76 3.22 -0.08 3.99 5.36 -1.26 -0.90 117.98 127.55 2i8d s PHE 51 Ca 0.06 1.01 0.08 0.00 -0.96 0.00 0.00 56.93 57.12 2i8d s PHE 51 Cb -0.08 -3.69 -0.12 0.00 -0.34 0.00 0.00 43.02 38.79 2i8d s PHE 51 CO 0.01 -2.34 0.05 -0.89 -1.46 0.00 0.00 175.22 170.60 2i8d n ILE 52 N 3.46 0.58 -3.77 3.12 2.08 -0.13 -4.88 119.36 119.81 2i8d n ILE 52 Ca 0.10 -0.38 -0.09 0.00 0.56 0.00 0.00 62.75 62.93 2i8d n ILE 52 Cb 0.42 -0.66 -0.04 0.00 -0.75 0.00 0.00 39.64 38.62 2i8d n ILE 52 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 2i8d s GLY 54 N -4.05 -0.02 -0.04 7.39 0.00 -0.30 -4.62 107.32 105.67 2i8d s GLY 54 Ca -0.05 -0.30 -0.04 0.00 0.00 0.00 0.00 44.72 44.34 2i8d s GLY 54 CO 0.39 -0.29 0.11 -1.36 0.00 0.00 0.00 173.10 171.94 2i8d s PHE 55 N -3.89 -0.12 -0.17 1.90 0.08 -0.85 -0.69 117.98 114.23 2i8d s PHE 55 Ca 0.11 0.32 -0.10 0.00 0.12 0.00 0.00 56.93 57.37 2i8d s PHE 55 Cb -0.01 0.01 0.06 0.00 -0.57 0.00 0.00 43.02 42.51 2i8d s PHE 55 CO -0.01 -0.08 0.42 -0.80 -0.10 0.00 0.00 175.22 174.65 2i8d s ASN 56 N 0.26 -0.51 0.41 1.36 0.01 -0.67 -4.18 114.94 111.62 2i8d s ASN 56 Ca -0.02 0.89 -0.11 0.00 -0.71 0.00 0.00 52.86 52.91 2i8d s ASN 56 Cb -0.03 0.79 -0.07 0.00 0.41 0.00 0.00 41.25 42.36 2i8d s ASN 56 CO -0.01 -0.19 0.79 -2.16 -1.51 0.00 0.00 177.10 174.02 2i8d s PRO 57 N 1.24 3.81 0.36 -0.60 0.04 -1.26 -0.38 135.00 138.22 2i8d s PRO 57 Ca -0.08 0.53 0.05 0.00 0.04 0.00 0.00 61.00 61.55 2i8d s PRO 57 Cb -0.08 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 2i8d s PRO 57 CO -0.11 -0.05 0.21 -1.54 0.04 0.00 0.00 177.00 175.55 2i8d s SER 58 N -3.09 2.15 0.28 6.66 1.04 0.39 -4.92 113.70 116.21 2i8d s SER 58 Ca 0.52 -1.72 -0.03 0.00 0.48 0.00 0.00 55.95 55.20 2i8d s SER 58 Cb -0.10 0.55 0.37 0.00 0.10 0.00 0.00 66.02 66.94 2i8d s SER 58 CO 0.30 -1.01 1.90 0.07 0.98 0.00 0.00 173.24 175.48 2i8d h LYS 59 N 1.98 1.05 0.00 4.02 -0.00 -1.99 -3.27 116.57 118.36 2i8d h LYS 59 Ca -0.30 -0.12 0.00 0.00 -0.00 0.00 0.00 60.65 60.23 2i8d h LYS 59 Cb 1.25 -0.21 0.00 0.00 -0.00 0.00 0.00 32.23 33.27 2i8d h LYS 59 CO 0.46 0.78 -1.16 1.63 -0.00 0.00 0.00 179.45 181.16 2i8d n LYS 60 N -4.35 1.25 -3.67 0.07 4.01 -1.26 -4.94 118.16 109.27 2i8d n LYS 60 Ca 0.08 -0.06 -0.10 0.00 -0.51 0.00 0.00 58.31 57.71 2i8d n LYS 60 Cb 0.11 -1.30 -0.03 0.00 -0.51 0.00 0.00 35.03 33.29 2i8d n LYS 60 CO 0.00 0.00 0.00 -3.38 -1.11 0.00 0.00 177.40 172.91 2i8d s HIS 61 N -2.76 -0.22 -0.17 2.13 0.00 -1.24 -5.12 115.29 107.92 2i8d s HIS 61 Ca 0.01 -0.10 -0.17 0.00 -3.00 0.00 0.00 55.06 51.81 2i8d s HIS 61 Cb 0.11 0.43 -0.04 0.00 -4.00 0.00 0.00 32.58 29.09 2i8d s HIS 61 CO 0.66 -0.90 0.43 -1.17 -1.00 0.00 0.00 174.74 172.77 2i8d s LEU 62 N -2.84 4.21 -0.29 5.38 2.96 -1.26 -0.46 118.68 126.37 2i8d s LEU 62 Ca 0.07 0.64 -0.15 0.00 -0.22 0.00 0.00 54.13 54.47 2i8d s LEU 62 Cb -0.01 -2.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.06 2i8d s LEU 62 CO -0.05 -0.05 0.39 0.00 -1.32 0.00 0.00 176.35 175.32 2i8d s ALA 63 N 1.03 3.55 -0.26 5.97 0.00 0.49 -4.98 121.76 127.55 2i8d s ALA 63 Ca 0.22 -0.89 -0.08 0.00 0.00 0.00 0.00 51.96 51.20 2i8d s ALA 63 Cb -0.15 -2.76 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 2i8d s ALA 63 CO 0.08 -0.78 0.10 0.08 0.00 0.00 0.00 175.76 175.25 2i8d s VAL 64 N 2.10 4.54 -0.19 0.00 1.01 -1.26 -1.67 120.40 124.93 2i8d s VAL 64 Ca 0.15 -0.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 2i8d s VAL 64 Cb -0.16 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 2i8d s VAL 64 CO 0.11 0.28 0.27 0.00 0.00 0.00 0.00 175.10 175.76 2i8d s ALA 65 N 1.64 3.60 0.18 5.51 0.00 0.13 -4.94 121.76 127.88 2i8d s ALA 65 Ca 0.06 -0.57 0.03 0.00 0.00 0.00 0.00 51.96 51.48 2i8d s ALA 65 Cb -0.16 -2.40 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 2i8d s ALA 65 CO 0.05 -0.03 -0.02 0.96 0.00 0.00 0.00 175.76 176.73 2i8d s ILE 66 N 0.73 0.87 0.63 0.00 -4.36 -1.26 -1.15 121.20 116.66 2i8d s ILE 66 Ca 0.14 -2.01 -0.14 0.00 -0.26 0.00 0.00 60.65 58.38 2i8d s ILE 66 Cb -0.13 -2.12 -0.02 0.00 1.25 0.00 0.00 42.46 41.44 2i8d s ILE 66 CO 0.04 -0.49 1.06 -1.61 0.24 0.00 0.00 174.94 174.18 2i8d s GLU 67 N -3.87 3.14 0.24 0.37 0.41 -1.26 -4.96 118.70 112.77 2i8d s GLU 67 Ca 0.24 1.15 -0.05 0.00 -0.41 0.00 0.00 54.97 55.90 2i8d s GLU 67 Cb 0.05 -2.01 0.38 0.00 -1.78 0.00 0.00 34.13 30.77 2i8d s GLU 67 CO 0.04 -0.95 1.82 -1.35 -0.49 0.00 0.00 175.26 174.34 2i8d h PRO 68 N 0.04 0.83 -0.36 0.39 0.11 -2.02 -2.18 132.00 128.81 2i8d h PRO 68 Ca -0.46 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.49 2i8d h PRO 68 Cb 1.22 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2i8d h PRO 68 CO 0.57 0.55 -0.24 0.37 -0.21 0.00 0.00 178.00 179.03 2i8d h GLN 69 N 0.85 0.72 -0.86 1.05 4.15 -2.05 -1.12 115.11 117.85 2i8d h GLN 69 Ca 0.39 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.52 2i8d h GLN 69 Cb 0.30 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.96 2i8d h GLN 69 CO -0.22 0.89 0.00 2.41 -1.93 0.00 0.00 178.83 179.98 2i8d n THR 70 N -4.11 0.08 0.00 2.39 -1.04 -0.82 -1.17 114.28 109.61 2i8d n THR 70 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2i8d n THR 70 Cb 0.44 -0.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 2i8d n THR 70 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2i8d n THR 72 N 0.61 0.00 0.21 12.58 -1.04 -0.42 -1.75 114.28 124.46 2i8d n THR 72 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 2i8d n THR 72 Cb 0.07 0.00 0.48 0.00 -1.82 0.00 0.00 70.33 69.06 2i8d n THR 72 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2i8d h ARG 73 N 0.00 0.02 -0.17 -2.82 9.65 -1.40 -3.28 114.38 116.37 2i8d h ARG 73 Ca 0.00 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2i8d h ARG 73 Cb 0.00 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2i8d h ARG 73 CO 0.00 0.22 0.00 1.19 2.80 0.00 0.00 179.97 184.18 2i8d n PHE 74 N -4.30 0.21 -0.09 2.20 3.01 -0.72 -4.65 117.46 113.13 2i8d n PHE 74 Ca -0.02 -0.16 -0.06 0.00 1.01 0.00 0.00 57.45 58.21 2i8d n PHE 74 Cb 0.26 -0.01 -0.00 0.00 -0.01 0.00 0.00 39.48 39.73 2i8d n PHE 74 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2i8d h ILE 75 N 3.05 0.41 -0.75 4.37 1.08 -1.83 0.15 117.51 123.99 2i8d h ILE 75 Ca 0.00 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.57 2i8d h ILE 75 Cb 0.72 0.41 -0.07 0.00 -3.07 0.00 0.00 36.82 34.80 2i8d h ILE 75 CO 0.00 0.00 0.39 -0.65 -0.69 0.00 0.00 178.15 177.20 2i8d h PRO 76 N -0.17 0.62 -0.04 2.37 0.11 -1.87 -0.72 132.00 132.30 2i8d h PRO 76 Ca 0.17 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.07 2i8d h PRO 76 Cb 0.44 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 2i8d h PRO 76 CO -0.44 0.41 -0.76 1.96 -0.21 0.00 0.00 178.00 178.96 2i8d h GLN 77 N 0.64 0.28 -0.31 1.05 7.50 -1.49 -1.83 115.11 120.95 2i8d h GLN 77 Ca 0.37 -0.24 -0.09 0.00 0.50 0.00 0.00 58.65 59.19 2i8d h GLN 77 Cb 0.41 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.98 2i8d h GLN 77 CO -0.28 0.91 -0.16 0.82 -1.50 0.00 0.00 178.83 178.63 2i8d h ILE 78 N 0.18 1.29 -0.53 2.54 2.04 -0.32 -1.69 117.51 121.03 2i8d h ILE 78 Ca -0.03 -1.26 -0.03 0.00 1.00 0.00 0.00 64.86 64.54 2i8d h ILE 78 Cb 1.34 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.84 2i8d h ILE 78 CO 0.12 0.41 0.23 0.44 0.00 0.00 0.00 178.15 179.35 2i8d h ASP 79 N 0.42 0.71 -0.46 1.72 3.32 -1.07 -2.46 116.42 118.60 2i8d h ASP 79 Ca 0.07 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 2i8d h ASP 79 Cb 0.69 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 2i8d h ASP 79 CO 0.05 0.67 0.17 0.50 -1.72 0.00 0.00 179.24 178.90 2i8d h LYS 80 N 0.71 0.76 0.00 3.56 1.63 -1.26 -1.40 116.57 120.57 2i8d h LYS 80 Ca 0.18 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 2i8d h LYS 80 Cb 0.17 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 2i8d h LYS 80 CO -0.02 0.65 0.00 0.00 -3.45 0.00 0.00 179.45 176.64 2i8d n ALA 81 N -2.46 1.87 -1.13 5.00 0.00 -0.64 -4.92 120.51 118.23 2i8d n ALA 81 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2i8d n ALA 81 Cb 0.19 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.27 2i8d n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i8d n GLY 82 N 0.44 0.87 3.49 0.00 0.00 -0.53 -5.08 105.19 104.40 2i8d n GLY 82 Ca 0.04 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 2i8d n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2i8d s TYR 83 N -2.00 2.73 0.56 1.61 2.02 -1.06 -5.05 117.35 116.16 2i8d s TYR 83 Ca 0.00 -0.14 -0.16 0.00 -0.37 0.00 0.00 57.07 56.40 2i8d s TYR 83 Cb 0.00 -1.62 -0.06 0.00 -0.40 0.00 0.00 41.96 39.88 2i8d s TYR 83 CO 0.00 0.22 1.02 -0.51 -1.57 0.00 0.00 175.55 174.71 2i8d s ASP 84 N -0.83 6.20 0.05 2.29 1.01 -1.26 -4.47 116.67 119.66 2i8d s ASP 84 Ca 0.12 1.67 -0.01 0.00 0.71 0.00 0.00 52.55 55.04 2i8d s ASP 84 Cb -0.11 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 2i8d s ASP 84 CO 0.01 -0.88 -0.03 -1.38 0.21 0.00 0.00 175.17 173.11 2i8d s HIS 85 N -2.59 0.52 -0.09 4.23 -3.43 -1.26 -5.11 115.29 107.56 2i8d s HIS 85 Ca 0.61 -1.07 -0.08 0.00 -0.80 0.00 0.00 55.06 53.72 2i8d s HIS 85 Cb -0.13 -0.39 0.03 0.00 -1.43 0.00 0.00 32.58 30.66 2i8d s HIS 85 CO 0.35 -0.38 0.25 0.45 -2.00 0.00 0.00 174.74 173.41 2i8d s SER 86 N -2.92 -0.26 -0.15 7.38 0.15 -1.26 -5.14 113.70 111.51 2i8d s SER 86 Ca 0.07 0.50 -0.00 0.00 0.70 0.00 0.00 55.95 57.22 2i8d s SER 86 Cb 0.08 0.49 0.03 0.00 -1.71 0.00 0.00 66.02 64.91 2i8d s SER 86 CO -0.10 -0.09 -0.09 -1.10 1.20 0.00 0.00 173.24 173.05 2i8d s GLN 87 N 0.23 1.82 0.05 5.44 1.11 -1.26 -5.10 119.66 121.95 2i8d s GLN 87 Ca -0.01 -0.49 0.05 0.00 0.01 0.00 0.00 55.36 54.92 2i8d s GLN 87 Cb -0.02 -1.96 -0.02 0.00 -1.01 0.00 0.00 33.01 30.00 2i8d s GLN 87 CO -0.00 -0.32 -0.13 0.96 0.01 0.00 0.00 175.29 175.81 2i8d s ILE 88 N 1.58 1.04 -0.15 1.08 -5.25 -1.26 -5.14 121.20 113.10 2i8d s ILE 88 Ca 0.03 -1.07 -0.06 0.00 -0.99 0.00 0.00 60.65 58.56 2i8d s ILE 88 Cb -0.14 -0.97 -0.04 0.00 2.95 0.00 0.00 42.46 44.27 2i8d s ILE 88 CO -0.09 -0.09 0.05 -0.63 -1.79 0.00 0.00 174.94 172.39 2i8d s ILE 89 N -0.99 4.74 -0.30 8.37 1.01 -1.26 -5.10 121.20 127.66 2i8d s ILE 89 Ca -0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 60.65 60.41 2i8d s ILE 89 Cb -0.08 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.27 2i8d s ILE 89 CO 0.01 0.51 0.48 -0.13 0.00 0.00 0.00 174.94 175.81 2i8d s ARG 90 N -0.07 3.85 -0.52 2.79 0.52 -1.26 -5.03 118.95 119.23 2i8d s ARG 90 Ca 0.06 0.03 -0.10 0.00 -0.52 0.00 0.00 55.73 55.20 2i8d s ARG 90 Cb -0.12 -3.73 0.13 0.00 0.52 0.00 0.00 34.95 31.76 2i8d s ARG 90 CO 0.01 -0.47 0.41 -0.06 0.02 0.00 0.00 175.30 175.21 2i8d s PHE 91 N 2.28 3.44 0.42 -0.53 0.08 -1.26 -5.08 117.98 117.34 2i8d s PHE 91 Ca 0.18 -1.91 -0.26 0.00 0.12 0.00 0.00 56.93 55.06 2i8d s PHE 91 Cb -0.16 -3.53 -0.10 0.00 -0.57 0.00 0.00 43.02 38.67 2i8d s PHE 91 CO 0.11 -0.98 1.44 -2.30 -0.10 0.00 0.00 175.22 173.39 2i8d n PRO 92 N 4.73 2.38 0.11 0.24 -0.02 -1.26 -4.88 135.00 136.29 2i8d n PRO 92 Ca -0.05 0.84 0.04 0.00 -2.02 0.00 0.00 63.50 62.31 2i8d n PRO 92 Cb 0.41 -2.62 0.46 0.00 -0.02 0.00 0.00 33.50 31.73 2i8d n PRO 92 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 2i8d h TRP 93 N 2.52 0.29 -0.25 6.00 4.06 -1.98 -2.75 115.95 123.85 2i8d h TRP 93 Ca -0.50 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.44 2i8d h TRP 93 Cb 1.26 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 2i8d h TRP 93 CO 0.51 0.27 0.00 0.72 -3.56 0.00 0.00 178.44 176.37 2i8d n HIS 94 N -4.41 0.32 -4.29 0.49 8.25 -1.26 -4.86 115.22 109.45 2i8d n HIS 94 Ca 0.00 -0.16 -0.25 0.00 -0.26 0.00 0.00 57.72 57.05 2i8d n HIS 94 Cb 0.15 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.17 2i8d n HIS 94 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2i8d s LYS 95 N -1.68 2.15 0.55 -0.41 1.02 -1.04 -5.11 119.74 115.22 2i8d s LYS 95 Ca 0.32 -1.33 -0.20 0.00 0.02 0.00 0.00 55.97 54.79 2i8d s LYS 95 Cb 0.18 -2.16 -0.06 0.00 -0.52 0.00 0.00 37.83 35.27 2i8d s LYS 95 CO 0.26 0.41 0.99 -2.30 -0.92 0.00 0.00 175.35 173.79 2i8d n PRO 96 N -0.30 1.08 -3.44 -1.68 -0.02 -1.26 -4.79 135.00 124.58 2i8d n PRO 96 Ca -0.09 0.41 -0.41 0.00 -2.02 0.00 0.00 63.50 61.39 2i8d n PRO 96 Cb 0.57 -2.16 -0.10 0.00 -0.02 0.00 0.00 33.50 31.79 2i8d n PRO 96 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2i8d s LEU 97 N -1.65 4.49 -1.01 2.45 2.96 -1.26 -4.89 118.68 119.76 2i8d s LEU 97 Ca 0.72 -0.32 -0.23 0.00 -0.22 0.00 0.00 54.13 54.08 2i8d s LEU 97 Cb -0.45 -2.27 0.04 0.00 0.50 0.00 0.00 46.19 44.00 2i8d s LEU 97 CO 0.50 -0.32 1.51 -0.62 -1.32 0.00 0.00 176.35 176.11 2i8d s ASP 98 N 1.73 6.34 0.49 3.68 -1.08 -1.26 -4.82 116.67 121.74 2i8d s ASP 98 Ca 0.10 -1.37 0.28 0.00 -0.52 0.00 0.00 52.55 51.04 2i8d s ASP 98 Cb -0.17 -2.57 1.02 0.00 -1.46 0.00 0.00 42.92 39.74 2i8d s ASP 98 CO 0.11 -1.66 1.86 -0.33 0.52 0.00 0.00 175.17 175.68 2i8d h GLU 99 N 9.95 0.00 -0.34 4.34 5.08 -1.99 -2.54 114.58 129.08 2i8d h GLU 99 Ca 0.19 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 2i8d h GLU 99 Cb 1.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2i8d h GLU 99 CO 1.40 0.10 -0.07 0.37 -1.00 0.00 0.00 179.01 179.82 2i8d h GLN 100 N 0.00 0.65 -0.25 2.33 5.75 -1.99 0.41 115.11 122.01 2i8d h GLN 100 Ca -0.00 -0.24 0.04 0.00 -0.15 0.00 0.00 58.65 58.29 2i8d h GLN 100 Cb 0.69 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.17 2i8d h GLN 100 CO 0.01 0.81 0.03 1.25 -2.65 0.00 0.00 178.83 178.28 2i8d h LEU 101 N 0.45 -0.04 -0.63 -2.39 5.85 -1.91 -0.55 115.31 116.09 2i8d h LEU 101 Ca 0.09 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2i8d h LEU 101 Cb 0.56 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 2i8d h LEU 101 CO 0.03 0.01 0.40 0.40 -0.34 0.00 0.00 178.44 178.94 2i8d h ILE 102 N 0.11 1.17 -0.34 4.05 2.04 -1.32 -0.71 117.51 122.52 2i8d h ILE 102 Ca 0.12 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.66 2i8d h ILE 102 Cb 0.14 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.46 2i8d h ILE 102 CO -0.18 0.17 0.11 -0.74 0.00 0.00 0.00 178.15 177.52 2i8d h HIS 103 N 0.86 0.19 -0.58 1.37 2.76 -0.76 -1.57 115.15 117.42 2i8d h HIS 103 Ca 0.23 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.36 2i8d h HIS 103 Cb -0.06 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 28.84 2i8d h HIS 103 CO -0.02 0.08 0.13 -0.44 -1.30 0.00 0.00 177.93 176.37 2i8d h ASP 104 N 0.25 0.85 -0.44 3.26 3.32 -0.59 -0.13 116.42 122.94 2i8d h ASP 104 Ca 0.15 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2i8d h ASP 104 Cb 0.14 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2i8d h ASP 104 CO -0.17 0.83 0.22 -0.07 -1.72 0.00 0.00 179.24 178.34 2i8d h LEU 105 N 0.87 0.57 0.07 1.55 3.38 -0.83 -1.00 115.31 119.93 2i8d h LEU 105 Ca 0.19 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2i8d h LEU 105 Cb 0.33 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2i8d h LEU 105 CO 0.00 0.53 -0.03 0.40 0.09 0.00 0.00 178.44 179.43 2i8d h ILE 106 N 0.57 1.03 -0.37 1.22 2.04 -0.91 -1.82 117.51 119.27 2i8d h ILE 106 Ca 0.15 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.72 2i8d h ILE 106 Cb 0.10 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 2i8d h ILE 106 CO -0.02 0.08 0.14 0.00 0.00 0.00 0.00 178.15 178.35 2i8d h ALA 107 N 0.68 0.43 -0.47 1.87 0.00 -0.92 -0.04 119.26 120.81 2i8d h ALA 107 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2i8d h ALA 107 Cb 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2i8d h ALA 107 CO 0.02 -0.25 0.30 -0.92 0.00 0.00 0.00 179.25 178.40 2i8d h TYR 108 N 0.30 0.60 -0.57 0.00 3.20 -1.17 -1.87 116.97 117.46 2i8d h TYR 108 Ca 0.16 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 2i8d h TYR 108 Cb 0.13 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 2i8d h TYR 108 CO -0.13 0.39 0.09 1.15 -1.64 0.00 0.00 178.16 178.01 2i8d h THR 109 N 0.63 1.26 -0.41 1.81 2.02 -0.79 -0.74 112.91 116.70 2i8d h THR 109 Ca 0.17 -0.99 0.06 0.00 0.77 0.00 0.00 66.41 66.42 2i8d h THR 109 Cb -0.05 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.09 2i8d h THR 109 CO -0.04 0.36 0.10 0.40 0.37 0.00 0.00 175.52 176.72 2i8d h ILE 110 N 0.85 0.81 -0.40 3.11 2.04 -0.95 -0.30 117.51 122.68 2i8d h ILE 110 Ca 0.17 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 2i8d h ILE 110 Cb 0.43 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2i8d h ILE 110 CO 0.01 0.04 0.18 -0.78 0.00 0.00 0.00 178.15 177.61 2i8d h ASP 111 N 0.24 0.53 0.59 1.72 3.58 -0.96 -2.77 116.42 119.35 2i8d h ASP 111 Ca 0.19 -0.14 -0.08 0.00 0.42 0.00 0.00 57.03 57.43 2i8d h ASP 111 Cb 0.22 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2i8d h ASP 111 CO -0.24 0.52 -0.36 1.56 -2.88 0.00 0.00 179.24 177.84 2i8d h GLN 112 N 0.50 0.00 -0.62 0.28 1.08 -0.83 -3.09 115.11 112.43 2i8d h GLN 112 Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 2i8d h GLN 112 Cb 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2i8d h GLN 112 CO -0.02 0.36 0.00 1.63 -0.95 0.00 0.00 178.83 179.86 2i8d n LYS 113 N -3.76 3.48 -0.30 1.46 5.02 -0.15 -4.58 118.16 119.34 2i8d n LYS 113 Ca -0.01 -2.80 0.13 0.00 -2.02 0.00 0.00 58.31 53.61 2i8d n LYS 113 Cb 0.45 -1.79 0.29 0.00 -0.02 0.00 0.00 35.03 33.96 2i8d n LYS 113 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2i8d h LYS 114 N 3.86 0.31 -0.28 1.97 1.57 -1.41 -1.32 116.57 121.27 2i8d h LYS 114 Ca 0.00 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 2i8d h LYS 114 Cb 1.33 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.52 2i8d h LYS 114 CO 0.18 0.20 -0.04 -0.25 -0.57 0.00 0.00 179.45 178.98 2i8d n ASP 115 N -5.12 3.08 -4.77 0.86 8.00 -1.26 -5.04 116.55 112.30 2i8d n ASP 115 Ca 0.21 -3.38 -0.40 0.00 0.71 0.00 0.00 54.79 51.93 2i8d n ASP 115 Cb 0.66 -0.58 -0.02 0.00 -0.02 0.00 0.00 41.12 41.15 2i8d n ASP 115 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2i8d s ALA 116 N -3.03 3.39 -0.93 2.24 0.00 -0.50 -4.93 121.76 118.00 2i8d s ALA 116 Ca 0.42 1.13 0.09 0.00 0.00 0.00 0.00 51.96 53.61 2i8d s ALA 116 Cb 0.37 -3.43 0.19 0.00 0.00 0.00 0.00 23.12 20.24 2i8d s ALA 116 CO 0.04 -0.54 1.05 0.25 0.00 0.00 0.00 175.76 176.56 2i8d n THR 117 N 0.68 0.61 -4.17 0.00 -2.24 -1.26 -5.00 114.28 102.91 2i8d n THR 117 Ca 0.01 -0.81 -0.11 0.00 -2.27 0.00 0.00 64.05 60.87 2i8d n THR 117 Cb 0.43 0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 69.33 2i8d n THR 117 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2i8d s THR 118 N -0.91 0.75 0.10 4.28 -4.23 -1.26 -5.07 115.64 109.29 2i8d s THR 118 Ca 0.16 -1.87 -0.17 0.00 -1.18 0.00 0.00 61.69 58.63 2i8d s THR 118 Cb 0.09 -1.61 -0.06 0.00 1.34 0.00 0.00 72.50 72.27 2i8d s THR 118 CO 0.13 -0.81 1.55 0.15 -0.54 0.00 0.00 174.62 175.10 2i8d h PHE 119 N 3.09 0.56 -2.98 3.99 3.57 -2.04 -3.44 116.94 119.68 2i8d h PHE 119 Ca -0.36 -0.09 -0.61 0.00 3.53 0.00 0.00 57.97 60.44 2i8d h PHE 119 Cb 1.17 -0.15 -0.08 0.00 2.79 0.00 0.00 35.95 39.69 2i8d h PHE 119 CO 0.60 0.63 -0.58 -1.58 -2.23 0.00 0.00 178.31 175.16 2i8d s TRP 120 N -5.07 3.21 0.19 0.41 0.52 -1.26 -5.08 118.94 111.86 2i8d s TRP 120 Ca -0.13 0.06 -0.32 0.00 0.02 0.00 0.00 56.10 55.73 2i8d s TRP 120 Cb 0.08 -1.60 -0.11 0.00 -1.15 0.00 0.00 33.47 30.70 2i8d s TRP 120 CO 0.76 0.53 1.63 -1.14 0.02 0.00 0.00 176.95 178.74 2i8d s GLN 121 N -2.66 4.17 0.00 4.98 0.74 -1.26 -5.03 119.66 120.60 2i8d s GLN 121 Ca 0.30 2.47 0.06 0.00 0.05 0.00 0.00 55.36 58.25 2i8d s GLN 121 Cb -0.11 -3.11 0.05 0.00 1.10 0.00 0.00 33.01 30.93 2i8d s GLN 121 CO 0.23 -0.67 0.69 0.54 -0.55 0.00 0.00 175.29 175.54