#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iux s VAL 28 N 0.00 2.14 -0.25 4.08 -7.23 0.15 -4.93 120.40 114.37 3iux s VAL 28 Ca 0.00 -2.18 0.03 0.00 -1.81 0.00 0.00 61.98 58.02 3iux s VAL 28 Cb 0.00 -2.10 0.05 0.00 0.56 0.00 0.00 36.38 34.89 3iux s VAL 28 CO 0.00 -0.37 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.18 3iux s ARG 29 N -3.21 2.31 0.32 4.82 0.52 -0.48 -1.49 118.95 121.74 3iux s ARG 29 Ca 0.23 -1.27 -0.29 0.00 -0.52 0.00 0.00 55.73 53.88 3iux s ARG 29 Cb -0.05 -2.84 -0.10 0.00 0.52 0.00 0.00 34.95 32.48 3iux s ARG 29 CO 0.10 -0.53 1.40 -2.14 0.02 0.00 0.00 175.30 174.16 3iux s PRO 30 N 1.14 4.26 1.08 3.54 0.02 -1.26 -0.51 135.00 143.27 3iux s PRO 30 Ca -0.07 2.35 -0.16 0.00 0.02 0.00 0.00 61.00 63.14 3iux s PRO 30 Cb -0.19 -3.05 0.23 0.00 0.02 0.00 0.00 34.50 31.51 3iux s PRO 30 CO -0.06 -0.36 1.11 0.15 -0.33 0.00 0.00 177.00 177.51 3iux s LYS 31 N -1.44 -0.27 0.17 5.54 1.02 -0.15 -4.57 119.74 120.03 3iux s LYS 31 Ca 0.53 0.19 -0.15 0.00 0.02 0.00 0.00 55.97 56.56 3iux s LYS 31 Cb -0.42 -1.68 0.12 0.00 -0.52 0.00 0.00 37.83 35.32 3iux s LYS 31 CO 0.53 -3.13 1.72 -1.35 -0.92 0.00 0.00 175.35 172.20 3iux h PRO 32 N -2.17 0.20 -0.38 -1.68 0.11 -1.95 0.12 132.00 126.25 3iux h PRO 32 Ca -0.50 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 3iux h PRO 32 Cb 1.31 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3iux h PRO 32 CO 0.47 0.13 -0.24 -0.07 -0.21 0.00 0.00 178.00 178.08 3iux h LEU 33 N 0.21 0.88 -0.94 2.35 3.38 -1.95 -1.60 115.31 117.64 3iux h LEU 33 Ca 0.20 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 3iux h LEU 33 Cb 0.24 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3iux h LEU 33 CO -0.26 1.11 -0.09 0.25 0.09 0.00 0.00 178.44 179.54 3iux h LEU 34 N 0.64 0.66 -0.46 1.67 5.85 -1.75 -0.97 115.31 120.96 3iux h LEU 34 Ca 0.08 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.63 3iux h LEU 34 Cb 0.81 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3iux h LEU 34 CO 0.07 0.79 0.30 0.25 -0.34 0.00 0.00 178.44 179.51 3iux h LEU 35 N 0.63 0.51 -0.53 2.25 5.85 -0.54 0.04 115.31 123.52 3iux h LEU 35 Ca 0.11 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3iux h LEU 35 Cb 0.52 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 3iux h LEU 35 CO 0.03 0.37 0.29 0.50 -0.34 0.00 0.00 178.44 179.28 3iux h LYS 36 N 0.61 0.54 -0.30 1.25 3.64 -0.94 -0.86 116.57 120.51 3iux h LYS 36 Ca 0.17 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3iux h LYS 36 Cb -0.06 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 3iux h LYS 36 CO -0.04 0.36 0.19 1.25 -2.27 0.00 0.00 179.45 178.94 3iux h LEU 37 N 0.56 0.36 -0.54 5.20 6.46 -0.71 -1.27 115.31 125.36 3iux h LEU 37 Ca 0.23 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.94 3iux h LEU 37 Cb 0.11 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 39.92 3iux h LEU 37 CO -0.14 0.28 0.27 -0.07 -0.62 0.00 0.00 178.44 178.16 3iux h LEU 38 N 0.40 0.70 -1.60 2.25 3.38 -0.71 -2.09 115.31 117.63 3iux h LEU 38 Ca 0.11 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3iux h LEU 38 Cb -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3iux h LEU 38 CO -0.02 0.62 -0.19 0.11 0.09 0.00 0.00 178.44 179.05 3iux h LYS 39 N 0.73 0.00 0.00 1.13 1.57 -0.99 -1.85 116.57 117.15 3iux h LYS 39 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3iux h LYS 39 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3iux h LYS 39 CO -0.03 0.19 0.00 0.66 -0.57 0.00 0.00 179.45 179.70 3iux h SER 40 N 0.00 0.00 0.98 0.86 4.64 -0.51 -0.99 113.55 118.54 3iux h SER 40 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iux h SER 40 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3iux h SER 40 CO 0.02 0.00 -0.36 0.52 -0.87 0.00 0.00 176.83 176.14 3iux n VAL 41 N -3.00 0.31 0.00 0.95 0.31 -0.70 -4.93 118.33 111.28 3iux n VAL 41 Ca 0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3iux n VAL 41 Cb 0.26 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 3iux n VAL 41 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3iux n GLY 42 N 1.38 1.37 3.74 2.92 0.00 -0.37 -5.10 105.19 109.12 3iux n GLY 42 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3iux n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iux s ALA 43 N -1.55 2.49 0.00 4.61 0.00 -1.21 -4.96 121.76 121.13 3iux s ALA 43 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.10 3iux s ALA 43 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3iux s ALA 43 CO 0.00 -1.38 0.00 1.04 0.00 0.00 0.00 175.76 175.42 3iux n GLN 44 N -1.68 5.64 -2.49 0.00 6.02 -1.26 -4.24 117.38 119.38 3iux n GLN 44 Ca 0.14 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.90 3iux n GLN 44 Cb 0.48 -0.45 0.04 0.00 1.02 0.00 0.00 30.24 31.34 3iux n GLN 44 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3iux s LYS 45 N -0.88 2.53 0.00 -1.09 -2.85 -1.26 -5.03 119.74 111.16 3iux s LYS 45 Ca 0.00 -0.46 0.14 0.00 -1.00 0.00 0.00 55.97 54.65 3iux s LYS 45 Cb 0.00 -2.35 -0.10 0.00 -2.06 0.00 0.00 37.83 33.32 3iux s LYS 45 CO 0.00 -0.85 0.66 -0.25 0.10 0.00 0.00 175.35 175.01 3iux n ASP 46 N -2.55 0.96 -4.19 0.03 8.00 -1.26 -4.96 116.55 112.57 3iux n ASP 46 Ca 0.07 -0.98 -0.24 0.00 0.71 0.00 0.00 54.79 54.35 3iux n ASP 46 Cb 0.59 0.81 -0.15 0.00 -0.02 0.00 0.00 41.12 42.36 3iux n ASP 46 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3iux s THR 47 N -2.09 1.42 0.05 -3.53 -4.23 -1.26 -4.17 115.64 101.82 3iux s THR 47 Ca 0.08 -0.95 -0.04 0.00 -1.18 0.00 0.00 61.69 59.60 3iux s THR 47 Cb 0.11 -1.22 -0.02 0.00 1.34 0.00 0.00 72.50 72.71 3iux s THR 47 CO 0.49 0.25 0.06 -0.31 -0.54 0.00 0.00 174.62 174.57 3iux s TYR 48 N -0.63 0.29 0.72 3.99 1.51 -0.55 -4.93 117.35 117.75 3iux s TYR 48 Ca 0.06 -0.69 -0.11 0.00 -1.01 0.00 0.00 57.07 55.32 3iux s TYR 48 Cb -0.08 -0.21 0.02 0.00 -0.11 0.00 0.00 41.96 41.59 3iux s TYR 48 CO 0.01 -0.38 1.09 0.95 -1.11 0.00 0.00 175.55 176.10 3iux s THR 49 N -3.11 3.52 0.30 -0.71 -4.23 -1.26 0.33 115.64 110.47 3iux s THR 49 Ca -0.01 0.49 -0.02 0.00 -1.18 0.00 0.00 61.69 60.98 3iux s THR 49 Cb 0.02 -3.42 0.24 0.00 1.34 0.00 0.00 72.50 70.67 3iux s THR 49 CO -0.07 -0.65 1.94 0.24 -0.54 0.00 0.00 174.62 175.55 3iux h MET 50 N -0.72 1.04 -0.98 3.99 0.00 -1.95 -1.36 114.93 114.95 3iux h MET 50 Ca -0.45 -0.09 0.02 0.00 0.00 0.00 0.00 59.70 59.17 3iux h MET 50 Cb 1.25 -0.22 -0.05 0.00 0.00 0.00 0.00 31.60 32.58 3iux h MET 50 CO 0.62 0.73 0.65 -0.22 0.00 0.00 0.00 176.91 178.69 3iux h LYS 51 N 1.06 1.27 -0.51 1.72 3.64 -1.99 -1.23 116.57 120.53 3iux h LYS 51 Ca 0.28 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 3iux h LYS 51 Cb -0.05 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 31.47 3iux h LYS 51 CO -0.05 0.84 -0.07 0.93 -2.27 0.00 0.00 179.45 178.83 3iux h GLU 52 N 1.31 0.95 -0.27 1.90 5.08 -1.75 -0.07 114.58 121.73 3iux h GLU 52 Ca 0.37 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3iux h GLU 52 Cb -0.12 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3iux h GLU 52 CO -0.09 1.00 0.17 0.28 -1.00 0.00 0.00 179.01 179.37 3iux h VAL 53 N 0.81 1.09 -0.77 3.13 2.07 -0.75 -0.65 116.25 121.18 3iux h VAL 53 Ca 0.14 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3iux h VAL 53 Cb 0.62 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 3iux h VAL 53 CO 0.04 0.08 0.38 -0.07 0.02 0.00 0.00 177.57 178.03 3iux h LEU 54 N 0.35 0.99 0.14 2.57 -0.00 -1.13 -0.97 115.31 117.26 3iux h LEU 54 Ca 0.10 -0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 3iux h LEU 54 Cb -0.01 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.40 3iux h LEU 54 CO -0.02 0.82 -0.07 0.15 -0.00 0.00 0.00 178.44 179.32 3iux h PHE 55 N 1.09 -0.18 -0.19 1.13 3.57 -0.40 -0.82 116.94 121.15 3iux h PHE 55 Ca 0.27 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.64 3iux h PHE 55 Cb 0.09 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3iux h PHE 55 CO 0.01 0.06 -0.42 1.88 -2.23 0.00 0.00 178.31 177.61 3iux h TYR 56 N -0.40 0.53 -0.67 0.41 0.05 -1.05 -0.57 116.97 115.28 3iux h TYR 56 Ca -0.02 -0.15 -0.03 0.00 0.05 0.00 0.00 58.73 58.58 3iux h TYR 56 Cb 0.32 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.91 3iux h TYR 56 CO -0.00 0.79 0.29 1.25 -1.05 0.00 0.00 178.16 179.43 3iux h LEU 57 N 0.36 0.90 -0.75 3.88 5.85 -1.10 -0.43 115.31 124.03 3iux h LEU 57 Ca 0.03 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 3iux h LEU 57 Cb 0.89 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3iux h LEU 57 CO 0.07 0.81 -0.05 1.23 -0.34 0.00 0.00 178.44 180.17 3iux h GLY 58 N 0.94 0.98 1.94 3.75 0.00 -0.89 -2.40 103.07 107.38 3iux h GLY 58 Ca 0.23 -0.71 -0.13 0.00 0.00 0.00 0.00 47.33 46.72 3iux h GLY 58 CO -0.02 0.66 -0.57 -1.61 0.00 0.00 0.00 176.54 174.99 3iux h GLN 59 N 0.82 0.06 -0.29 4.80 5.75 -0.82 -1.28 115.11 124.15 3iux h GLN 59 Ca 0.15 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.60 3iux h GLN 59 Cb 0.56 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 3iux h GLN 59 CO 0.03 0.62 0.18 -0.92 -2.65 0.00 0.00 178.83 176.09 3iux h TYR 60 N 0.05 0.38 -0.32 3.99 3.20 -0.72 0.15 116.97 123.69 3iux h TYR 60 Ca -0.00 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 3iux h TYR 60 Cb 1.03 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 3iux h TYR 60 CO 0.01 0.27 -0.08 0.82 -1.64 0.00 0.00 178.16 177.53 3iux h ILE 61 N 0.38 1.28 0.46 1.81 2.04 -1.14 -1.39 117.51 120.94 3iux h ILE 61 Ca 0.11 -1.14 -0.02 0.00 1.00 0.00 0.00 64.86 64.81 3iux h ILE 61 Cb -0.01 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3iux h ILE 61 CO -0.02 0.37 -0.26 -0.03 0.00 0.00 0.00 178.15 178.21 3iux h MET 62 N 0.40 -0.65 -0.66 2.37 4.05 -0.90 -1.53 114.93 118.00 3iux h MET 62 Ca 0.08 0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.49 3iux h MET 62 Cb 0.58 0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.50 3iux h MET 62 CO 0.03 -0.43 0.20 1.15 0.23 0.00 0.00 176.91 178.09 3iux h THR 63 N -0.67 1.25 -0.00 -0.77 2.02 -0.73 -2.18 112.91 111.82 3iux h THR 63 Ca -0.06 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.27 3iux h THR 63 Cb 0.54 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3iux h THR 63 CO 0.07 0.33 -0.02 1.17 0.37 0.00 0.00 175.52 177.44 3iux n LYS 64 N -4.26 0.96 -3.67 6.66 4.81 -0.53 -4.92 118.16 117.21 3iux n LYS 64 Ca 0.05 -0.21 -0.23 0.00 -0.87 0.00 0.00 58.31 57.05 3iux n LYS 64 Cb 0.22 -1.50 0.06 0.00 0.02 0.00 0.00 35.03 33.83 3iux n LYS 64 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3iux n ARG 65 N -0.83 -6.26 0.00 1.64 1.74 -0.64 -4.91 116.66 107.39 3iux n ARG 65 Ca 0.20 0.72 0.13 0.00 -0.77 0.00 0.00 57.85 58.13 3iux n ARG 65 Cb 0.21 -5.60 0.51 0.00 -1.02 0.00 0.00 32.46 26.56 3iux n ARG 65 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3iux n LEU 66 N -4.53 0.15 -4.88 0.55 4.77 -0.80 -4.91 117.00 107.35 3iux n LEU 66 Ca -0.13 0.35 -0.30 0.00 -0.03 0.00 0.00 56.01 55.89 3iux n LEU 66 Cb 0.61 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3iux n LEU 66 CO 0.68 0.04 0.42 -0.72 -1.33 0.00 0.00 177.39 176.47 3iux s TYR 67 N -3.00 3.48 0.30 -1.77 -0.85 -1.26 -0.69 117.35 113.56 3iux s TYR 67 Ca 0.13 0.99 -0.29 0.00 -0.52 0.00 0.00 57.07 57.38 3iux s TYR 67 Cb 0.19 -2.40 -0.10 0.00 0.38 0.00 0.00 41.96 40.03 3iux s TYR 67 CO 0.58 -0.10 1.19 0.34 -1.52 0.00 0.00 175.55 176.05 3iux s ASP 68 N -3.23 7.06 0.25 -0.18 2.15 0.79 -4.92 116.67 118.57 3iux s ASP 68 Ca 0.50 2.44 0.00 0.00 0.43 0.00 0.00 52.55 55.93 3iux s ASP 68 Cb -0.10 -2.63 0.29 0.00 -0.30 0.00 0.00 42.92 40.18 3iux s ASP 68 CO 0.32 -0.31 1.64 -0.33 -0.17 0.00 0.00 175.17 176.32 3iux h GLU 69 N 3.73 0.51 0.11 4.34 4.39 -1.96 -3.27 114.58 122.43 3iux h GLU 69 Ca -0.47 -0.24 -0.37 0.00 0.34 0.00 0.00 59.36 58.62 3iux h GLU 69 Cb 1.22 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 3iux h GLU 69 CO 0.67 0.80 -2.06 1.63 -1.16 0.00 0.00 179.01 178.88 3iux n LYS 70 N -4.05 0.75 -3.94 2.33 5.02 -1.26 -4.63 118.16 112.37 3iux n LYS 70 Ca -0.01 0.25 -0.31 0.00 -2.02 0.00 0.00 58.31 56.22 3iux n LYS 70 Cb 0.48 -1.68 -0.14 0.00 -0.02 0.00 0.00 35.03 33.67 3iux n LYS 70 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3iux s GLN 71 N -2.55 1.96 0.00 1.97 -0.21 -1.25 -5.00 119.66 114.58 3iux s GLN 71 Ca -0.24 -2.52 0.31 0.00 0.02 0.00 0.00 55.36 52.93 3iux s GLN 71 Cb 0.07 -3.34 1.84 0.00 1.00 0.00 0.00 33.01 32.57 3iux s GLN 71 CO 0.75 -1.09 2.18 1.04 -2.12 0.00 0.00 175.29 176.04 3iux n GLN 72 N 3.29 0.93 0.00 2.91 6.02 -1.23 -1.18 117.38 128.12 3iux n GLN 72 Ca 0.05 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.18 3iux n GLN 72 Cb 0.34 -1.50 0.57 0.00 1.02 0.00 0.00 30.24 30.66 3iux n GLN 72 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 3iux n HIS 73 N -1.02 0.00 -3.14 1.08 1.44 -1.26 -4.62 115.22 107.69 3iux n HIS 73 Ca 0.23 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.55 3iux n HIS 73 Cb 0.12 -0.36 -0.05 0.00 0.12 0.00 0.00 29.99 29.82 3iux n HIS 73 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3iux s ILE 74 N -2.84 5.09 -0.11 0.61 -1.09 -0.33 -0.41 121.20 122.13 3iux s ILE 74 Ca 0.18 1.25 0.03 0.00 -2.23 0.00 0.00 60.65 59.89 3iux s ILE 74 Cb 0.19 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 3iux s ILE 74 CO 0.54 0.25 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.59 3iux s VAL 75 N 0.91 2.02 -0.25 2.92 1.01 -0.04 -0.15 120.40 126.82 3iux s VAL 75 Ca 0.32 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 3iux s VAL 75 Cb -0.17 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 3iux s VAL 75 CO 0.14 0.55 0.53 -0.31 0.00 0.00 0.00 175.10 176.01 3iux s TYR 76 N 0.50 3.29 -0.31 5.22 2.02 0.13 -1.64 117.35 126.55 3iux s TYR 76 Ca -0.15 0.69 0.10 0.00 -0.37 0.00 0.00 57.07 57.33 3iux s TYR 76 Cb -0.17 -2.73 -0.12 0.00 -0.40 0.00 0.00 41.96 38.54 3iux s TYR 76 CO 0.06 -0.25 0.35 0.00 -1.57 0.00 0.00 175.55 174.13 3iux n SER 78 N -1.43 3.59 -2.67 0.00 7.64 -0.93 -2.37 113.62 117.45 3iux n SER 78 Ca 0.01 1.20 -0.21 0.00 1.01 0.00 0.00 58.87 60.87 3iux n SER 78 Cb 0.19 -1.61 0.01 0.00 -1.01 0.00 0.00 64.21 61.79 3iux n SER 78 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3iux n ASN 79 N 0.29 -5.91 -3.99 6.43 5.15 -1.26 -4.94 115.26 111.03 3iux n ASN 79 Ca 0.03 -0.13 -0.11 0.00 -0.60 0.00 0.00 54.58 53.77 3iux n ASN 79 Cb 0.39 -4.86 -0.12 0.00 -0.53 0.00 0.00 39.78 34.67 3iux n ASN 79 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3iux s ASP 80 N -2.33 0.40 0.32 1.20 2.15 -1.01 -5.03 116.67 112.37 3iux s ASP 80 Ca 0.13 -0.45 0.09 0.00 0.43 0.00 0.00 52.55 52.75 3iux s ASP 80 Cb -0.06 0.07 0.95 0.00 -0.30 0.00 0.00 42.92 43.58 3iux s ASP 80 CO 0.16 -0.23 1.63 0.25 -0.17 0.00 0.00 175.17 176.81 3iux h LEU 81 N 4.80 0.17 -0.99 -1.34 5.85 -1.93 -0.11 115.31 121.77 3iux h LEU 81 Ca -0.32 0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 3iux h LEU 81 Cb 1.21 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 3iux h LEU 81 CO 0.42 -0.22 0.36 0.25 -0.34 0.00 0.00 178.44 178.91 3iux h LEU 82 N 0.19 0.97 -0.96 2.25 5.85 -1.96 -1.49 115.31 120.16 3iux h LEU 82 Ca 0.67 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 59.19 3iux h LEU 82 Cb 1.50 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 3iux h LEU 82 CO -0.69 0.83 -0.18 1.23 -0.34 0.00 0.00 178.44 179.28 3iux h GLY 83 N 1.11 0.59 1.03 3.75 0.00 -0.66 -1.13 103.07 107.75 3iux h GLY 83 Ca 0.26 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 3iux h GLY 83 CO -0.03 0.41 0.42 -0.55 0.00 0.00 0.00 176.54 176.79 3iux h ASP 84 N 0.49 1.05 0.55 0.19 3.32 -0.57 0.48 116.42 121.93 3iux h ASP 84 Ca 0.08 -0.12 -0.22 0.00 0.02 0.00 0.00 57.03 56.80 3iux h ASP 84 Cb 0.60 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 3iux h ASP 84 CO 0.04 0.87 -1.61 0.00 -1.72 0.00 0.00 179.24 176.82 3iux n LEU 85 N -4.36 0.76 0.06 1.55 -0.00 -0.69 -3.92 117.00 110.40 3iux n LEU 85 Ca 0.08 0.34 -0.07 0.00 -0.00 0.00 0.00 56.01 56.36 3iux n LEU 85 Cb 0.12 0.14 -0.11 0.00 -0.00 0.00 0.00 43.42 43.56 3iux n LEU 85 CO 0.39 0.24 0.15 -0.26 -0.00 0.00 0.00 177.39 177.91 3iux h PHE 86 N 0.00 0.00 -0.38 1.47 -1.00 -1.23 -3.47 116.94 112.33 3iux h PHE 86 Ca -0.23 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.49 3iux h PHE 86 Cb 1.75 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.30 3iux h PHE 86 CO 0.00 0.98 -0.08 0.41 -1.61 0.00 0.00 178.31 178.01 3iux n GLY 87 N 1.34 0.35 3.14 -1.45 0.00 0.16 -5.00 105.19 103.72 3iux n GLY 87 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 3iux n GLY 87 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iux s VAL 88 N -2.15 0.67 -0.29 1.61 -7.23 -1.24 -5.05 120.40 106.72 3iux s VAL 88 Ca 0.00 -1.68 0.20 0.00 -1.81 0.00 0.00 61.98 58.69 3iux s VAL 88 Cb 0.00 -1.37 0.15 0.00 0.56 0.00 0.00 36.38 35.72 3iux s VAL 88 CO 0.00 -0.72 1.37 1.55 -0.31 0.00 0.00 175.10 177.00 3iux h PRO 89 N 3.43 0.00 -2.70 4.82 0.13 -1.91 -3.41 132.00 132.36 3iux h PRO 89 Ca -0.36 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.87 3iux h PRO 89 Cb 1.18 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 3iux h PRO 89 CO 0.57 0.16 0.34 -1.54 -0.23 0.00 0.00 178.00 177.30 3iux s SER 90 N -6.06 -0.30 0.23 1.44 1.04 -1.26 -0.30 113.70 108.49 3iux s SER 90 Ca 0.04 -0.36 -0.20 0.00 0.48 0.00 0.00 55.95 55.90 3iux s SER 90 Cb 0.07 0.59 0.03 0.00 0.10 0.00 0.00 66.02 66.81 3iux s SER 90 CO 0.73 -1.05 0.63 0.72 0.98 0.00 0.00 173.24 175.25 3iux s PHE 91 N -3.59 -0.24 -0.16 5.02 -0.12 -0.65 -4.94 117.98 113.30 3iux s PHE 91 Ca 0.09 -0.12 -0.03 0.00 -0.05 0.00 0.00 56.93 56.82 3iux s PHE 91 Cb -0.03 0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 42.91 3iux s PHE 91 CO -0.00 -1.05 -0.04 0.45 -0.05 0.00 0.00 175.22 174.53 3iux s SER 92 N -2.87 4.70 0.58 1.98 0.15 -1.26 -0.87 113.70 116.12 3iux s SER 92 Ca 0.08 -0.16 0.32 0.00 0.70 0.00 0.00 55.95 56.89 3iux s SER 92 Cb -0.03 -1.77 1.77 0.00 -1.71 0.00 0.00 66.02 64.28 3iux s SER 92 CO -0.01 0.16 2.19 0.58 1.20 0.00 0.00 173.24 177.36 3iux h VAL 93 N 5.20 0.41 0.00 4.45 2.07 -1.11 -1.86 116.25 125.41 3iux h VAL 93 Ca -0.31 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3iux h VAL 93 Cb 1.19 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3iux h VAL 93 CO 0.62 0.05 0.00 0.11 0.02 0.00 0.00 177.57 178.36 3iux h LYS 94 N 0.00 0.00 -4.66 1.57 1.57 -1.95 -3.36 116.57 109.74 3iux h LYS 94 Ca -0.00 0.00 -0.74 0.00 -1.87 0.00 0.00 60.65 58.04 3iux h LYS 94 Cb 0.16 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.31 3iux h LYS 94 CO 0.01 0.00 1.55 0.39 -0.57 0.00 0.00 179.45 180.82 3iux n GLU 95 N -2.71 3.38 -0.03 3.15 1.02 -0.70 -4.85 120.64 119.89 3iux n GLU 95 Ca -0.01 -3.74 -0.11 0.00 -0.02 0.00 0.00 57.16 53.28 3iux n GLU 95 Cb 0.15 -3.07 -0.06 0.00 -0.02 0.00 0.00 31.44 28.45 3iux n GLU 95 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3iux h HIS 96 N 6.96 0.21 -0.84 -0.32 3.86 -1.86 -1.59 115.15 121.56 3iux h HIS 96 Ca 0.34 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.53 3iux h HIS 96 Cb 0.83 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 29.20 3iux h HIS 96 CO 1.15 0.31 0.51 -0.09 0.86 0.00 0.00 177.93 180.67 3iux h ARG 97 N 0.06 1.13 -0.66 2.45 2.43 -1.94 -1.74 114.38 116.10 3iux h ARG 97 Ca 0.05 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3iux h ARG 97 Cb 0.19 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 3iux h ARG 97 CO -0.00 0.79 0.42 -0.22 -1.51 0.00 0.00 179.97 179.45 3iux h LYS 98 N 1.15 0.82 -0.30 0.20 3.64 -1.82 0.30 116.57 120.56 3iux h LYS 98 Ca 0.30 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.54 3iux h LYS 98 Cb -0.05 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 3iux h LYS 98 CO -0.06 0.54 -0.15 0.82 -2.27 0.00 0.00 179.45 178.33 3iux h ILE 99 N 0.84 1.29 -0.33 2.00 1.08 -1.01 -1.74 117.51 119.64 3iux h ILE 99 Ca 0.26 -1.25 -0.03 0.00 -0.39 0.00 0.00 64.86 63.45 3iux h ILE 99 Cb -0.03 1.47 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 3iux h ILE 99 CO -0.08 0.40 0.09 1.88 -0.69 0.00 0.00 178.15 179.75 3iux h TYR 100 N 0.39 0.47 -0.31 1.37 0.05 -1.02 -0.22 116.97 117.69 3iux h TYR 100 Ca 0.07 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 3iux h TYR 100 Cb 0.68 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 3iux h TYR 100 CO 0.06 0.41 0.08 1.15 -1.05 0.00 0.00 178.16 178.81 3iux h THR 101 N 0.46 1.21 -0.58 -2.88 2.02 -0.64 0.15 112.91 112.66 3iux h THR 101 Ca 0.11 -0.71 -0.07 0.00 0.77 0.00 0.00 66.41 66.51 3iux h THR 101 Cb 0.17 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 3iux h THR 101 CO -0.01 0.24 0.07 0.24 0.37 0.00 0.00 175.52 176.43 3iux h MET 102 N 0.34 0.94 0.06 6.66 2.86 -0.48 -1.91 114.93 123.41 3iux h MET 102 Ca 0.10 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3iux h MET 102 Cb 0.28 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.83 3iux h MET 102 CO 0.00 0.89 -0.03 0.82 1.06 0.00 0.00 176.91 179.65 3iux h ILE 103 N 0.89 1.08 0.00 -1.22 2.04 -0.51 -3.08 117.51 116.71 3iux h ILE 103 Ca 0.18 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 3iux h ILE 103 Cb 0.42 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.88 3iux h ILE 103 CO 0.01 0.11 -0.16 1.88 0.00 0.00 0.00 178.15 180.00 3iux h TYR 104 N -0.28 0.00 0.00 1.37 -1.99 -0.58 -0.27 116.97 115.22 3iux h TYR 104 Ca -0.01 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 3iux h TYR 104 Cb 0.25 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.98 3iux h TYR 104 CO -0.01 0.16 -0.03 -0.09 -0.00 0.00 0.00 178.16 178.19 3iux h ARG 105 N 0.00 0.00 -0.48 4.88 9.65 -1.26 -1.72 114.38 125.45 3iux h ARG 105 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3iux h ARG 105 Cb 0.37 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 3iux h ARG 105 CO 0.02 0.03 0.00 0.09 2.80 0.00 0.00 179.97 182.91 3iux n ASN 106 N -3.28 4.79 -4.17 -3.80 3.02 -0.12 -4.94 115.26 106.75 3iux n ASN 106 Ca -0.02 -2.80 -0.20 0.00 -0.03 0.00 0.00 54.58 51.53 3iux n ASN 106 Cb 0.18 -0.59 -0.13 0.00 -0.61 0.00 0.00 39.78 38.63 3iux n ASN 106 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3iux s LEU 107 N -2.48 2.21 -0.37 3.41 1.43 -0.65 -0.98 118.68 121.26 3iux s LEU 107 Ca 0.48 -0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 52.92 3iux s LEU 107 Cb 0.36 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.95 3iux s LEU 107 CO 0.16 0.01 0.26 -0.69 0.23 0.00 0.00 176.35 176.32 3iux s VAL 108 N -1.00 5.16 -0.23 -1.59 1.01 0.34 -4.88 120.40 119.21 3iux s VAL 108 Ca 0.01 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3iux s VAL 108 Cb -0.09 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.54 3iux s VAL 108 CO 0.02 -0.16 0.56 0.52 0.00 0.00 0.00 175.10 176.04