#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1up5 s THR 5 N 0.00 2.69 0.35 -5.08 2.01 -1.26 -4.88 115.64 109.47 1up5 s THR 5 Ca 0.00 0.44 0.05 0.00 0.31 0.00 0.00 61.69 62.49 1up5 s THR 5 Cb 0.00 -3.18 0.29 0.00 0.01 0.00 0.00 72.50 69.62 1up5 s THR 5 CO 0.00 -0.09 1.95 -0.33 -0.69 0.00 0.00 174.62 175.46 1up5 h GLU 6 N 1.00 0.76 -0.58 4.92 5.08 -2.05 -1.63 114.58 122.08 1up5 h GLU 6 Ca -0.50 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 57.76 1up5 h GLU 6 Cb 1.29 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1up5 h GLU 6 CO 0.56 0.50 0.19 1.49 -1.00 0.00 0.00 179.01 180.75 1up5 h GLU 7 N 0.79 0.90 -0.48 2.33 4.81 -1.99 -1.58 114.58 119.36 1up5 h GLU 7 Ca 0.33 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 1up5 h GLU 7 Cb 0.27 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1up5 h GLU 7 CO -0.11 0.81 -0.03 1.96 -0.73 0.00 0.00 179.01 180.91 1up5 h GLN 8 N 0.82 0.82 -0.25 1.92 4.20 -1.78 -2.48 115.11 118.37 1up5 h GLN 8 Ca 0.19 -0.24 -0.18 0.00 0.06 0.00 0.00 58.65 58.48 1up5 h GLN 8 Cb 0.28 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1up5 h GLN 8 CO -0.01 0.85 -0.57 0.82 -0.67 0.00 0.00 178.83 179.25 1up5 h ILE 9 N 0.76 1.29 -0.85 2.54 2.04 -1.30 -0.57 117.51 121.42 1up5 h ILE 9 Ca 0.14 -1.77 -0.00 0.00 1.00 0.00 0.00 64.86 64.23 1up5 h ILE 9 Cb 0.51 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 1up5 h ILE 9 CO 0.03 0.57 0.52 0.00 0.00 0.00 0.00 178.15 179.27 1up5 h ALA 10 N 0.76 1.08 -0.28 1.87 0.00 -1.28 0.11 119.26 121.52 1up5 h ALA 10 Ca 0.01 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1up5 h ALA 10 Cb 1.16 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1up5 h ALA 10 CO 0.12 0.53 -0.32 0.93 0.00 0.00 0.00 179.25 180.51 1up5 h GLU 11 N 1.16 0.59 -0.02 0.00 5.08 -1.19 -1.29 114.58 118.92 1up5 h GLU 11 Ca 0.31 -0.26 -0.18 0.00 -1.00 0.00 0.00 59.36 58.22 1up5 h GLU 11 Cb -0.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1up5 h GLU 11 CO -0.06 0.84 -0.79 0.74 -1.00 0.00 0.00 179.01 178.74 1up5 h PHE 12 N 0.51 0.26 -0.25 4.33 0.04 -0.94 -2.38 116.94 118.50 1up5 h PHE 12 Ca 0.06 -0.13 -0.08 0.00 2.80 0.00 0.00 57.97 60.62 1up5 h PHE 12 Cb 0.80 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.90 1up5 h PHE 12 CO 0.03 0.89 -0.17 -0.22 -0.60 0.00 0.00 178.31 178.25 1up5 h LYS 13 N 0.11 0.44 -0.26 1.51 1.63 -0.57 -1.09 116.57 118.34 1up5 h LYS 13 Ca -0.03 -0.14 -0.03 0.00 -0.85 0.00 0.00 60.65 59.61 1up5 h LYS 13 Cb 1.38 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.95 1up5 h LYS 13 CO 0.12 0.60 0.06 1.49 -3.45 0.00 0.00 179.45 178.27 1up5 h GLU 14 N 0.41 0.42 -0.63 1.90 4.81 -1.09 -1.90 114.58 118.49 1up5 h GLU 14 Ca 0.07 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1up5 h GLU 14 Cb 0.53 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 1up5 h GLU 14 CO 0.03 0.52 0.30 0.00 -0.73 0.00 0.00 179.01 179.13 1up5 h ALA 15 N 0.88 0.81 -0.29 2.92 0.00 -1.32 -3.01 119.26 119.25 1up5 h ALA 15 Ca 0.08 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1up5 h ALA 15 Cb 0.29 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1up5 h ALA 15 CO 0.00 0.38 0.01 0.35 0.00 0.00 0.00 179.25 179.99 1up5 h PHE 16 N 0.87 0.01 -0.90 0.00 3.57 -1.02 -2.29 116.94 117.18 1up5 h PHE 16 Ca 0.21 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.91 1up5 h PHE 16 Cb 0.13 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.84 1up5 h PHE 16 CO 0.00 -0.03 0.58 0.77 -2.23 0.00 0.00 178.31 177.40 1up5 h SER 17 N 0.10 0.56 -0.09 0.41 0.02 -1.21 0.12 113.55 113.45 1up5 h SER 17 Ca 0.14 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 1up5 h SER 17 Cb 0.17 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1up5 h SER 17 CO -0.22 0.25 -0.00 0.25 -1.14 0.00 0.00 176.83 175.97 1up5 h LEU 18 N 0.57 0.24 0.15 5.07 5.85 -1.37 -2.87 115.31 122.95 1up5 h LEU 18 Ca 0.47 -0.03 -0.30 0.00 0.84 0.00 0.00 57.88 58.86 1up5 h LEU 18 Cb 0.92 -0.06 0.02 0.00 0.37 0.00 0.00 40.66 41.90 1up5 h LEU 18 CO -0.21 0.29 -1.31 -0.26 -0.34 0.00 0.00 178.44 176.61 1up5 h PHE 19 N 0.26 0.75 -1.55 1.25 0.04 -0.81 -3.40 116.94 113.47 1up5 h PHE 19 Ca 0.06 -0.53 -0.73 0.00 2.80 0.00 0.00 57.97 59.58 1up5 h PHE 19 Cb 0.19 -0.04 -0.14 0.00 2.20 0.00 0.00 35.95 38.16 1up5 h PHE 19 CO 0.00 1.40 1.82 -3.47 -0.60 0.00 0.00 178.31 177.47 1up5 n ASP 20 N -3.65 5.03 -0.07 2.17 2.03 -0.49 -4.62 116.55 116.96 1up5 n ASP 20 Ca -0.12 -2.98 0.01 0.00 0.52 0.00 0.00 54.79 52.21 1up5 n ASP 20 Cb 1.04 -1.59 0.31 0.00 -0.72 0.00 0.00 41.12 40.15 1up5 n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1up5 h LYS 21 N 6.82 0.68 -0.33 -0.67 1.79 -1.78 -2.29 116.57 120.79 1up5 h LYS 21 Ca 0.38 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1up5 h LYS 21 Cb 0.80 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1up5 h LYS 21 CO 1.43 0.55 0.00 -0.40 -1.08 0.00 0.00 179.45 179.94 1up5 n ASP 22 N -4.37 2.69 -1.38 0.86 5.75 -1.26 -4.99 116.55 113.86 1up5 n ASP 22 Ca 0.04 -1.89 -0.15 0.00 -0.01 0.00 0.00 54.79 52.77 1up5 n ASP 22 Cb 0.14 -0.21 -0.04 0.00 -1.03 0.00 0.00 41.12 39.98 1up5 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1up5 n GLY 23 N 1.34 0.83 0.59 6.12 0.00 -0.86 -4.92 105.19 108.29 1up5 n GLY 23 Ca 0.18 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 46.04 1up5 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1up5 n ASP 24 N -0.61 1.83 0.00 1.61 5.75 -1.26 -4.92 116.55 118.95 1up5 n ASP 24 Ca -0.16 -1.64 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 1up5 n ASP 24 Cb 0.55 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1up5 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1up5 n GLY 25 N 1.20 0.72 3.10 6.12 0.00 -1.26 -5.05 105.19 110.02 1up5 n GLY 25 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 1up5 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1up5 s THR 26 N -2.29 0.59 -0.22 2.61 -4.23 -1.26 -4.14 115.64 106.69 1up5 s THR 26 Ca 0.00 -1.43 -0.04 0.00 -1.18 0.00 0.00 61.69 59.03 1up5 s THR 26 Cb 0.00 -1.05 -0.01 0.00 1.34 0.00 0.00 72.50 72.78 1up5 s THR 26 CO 0.00 -0.59 -0.02 -0.63 -0.54 0.00 0.00 174.62 172.84 1up5 s ILE 27 N -2.32 3.59 0.55 2.99 1.01 0.41 -4.68 121.20 122.76 1up5 s ILE 27 Ca -0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 1up5 s ILE 27 Cb -0.04 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.80 1up5 s ILE 27 CO -0.02 0.41 0.83 0.42 0.00 0.00 0.00 174.94 176.58 1up5 s THR 28 N 1.41 3.70 0.22 2.92 -4.23 -1.26 -1.72 115.64 116.67 1up5 s THR 28 Ca 0.05 -0.18 -0.09 0.00 -1.18 0.00 0.00 61.69 60.29 1up5 s THR 28 Cb -0.14 -3.43 0.17 0.00 1.34 0.00 0.00 72.50 70.43 1up5 s THR 28 CO -0.01 -0.40 1.73 0.71 -0.54 0.00 0.00 174.62 176.11 1up5 h THR 29 N 0.00 0.70 -0.40 3.99 1.35 -1.92 -1.97 112.91 114.67 1up5 h THR 29 Ca -0.45 -0.13 0.07 0.00 -0.55 0.00 0.00 66.41 65.35 1up5 h THR 29 Cb 1.26 0.31 -0.09 0.00 -1.73 0.00 0.00 68.15 67.89 1up5 h THR 29 CO 0.59 0.07 -0.40 0.11 -0.25 0.00 0.00 175.52 175.64 1up5 h LYS 30 N 0.37 -0.30 -0.61 4.72 1.57 -1.97 -0.89 116.57 119.46 1up5 h LYS 30 Ca 0.33 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.15 1up5 h LYS 30 Cb 0.46 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 1up5 h LYS 30 CO -0.36 -0.20 0.39 0.93 -0.57 0.00 0.00 179.45 179.64 1up5 h GLU 31 N -0.31 0.76 -0.41 3.15 5.08 -1.81 -0.33 114.58 120.71 1up5 h GLU 31 Ca 0.15 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1up5 h GLU 31 Cb 0.57 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1up5 h GLU 31 CO -0.56 0.50 0.15 1.25 -1.00 0.00 0.00 179.01 179.35 1up5 h LEU 32 N 0.78 0.17 -0.67 1.33 5.85 -1.10 -1.40 115.31 120.28 1up5 h LEU 32 Ca 0.23 0.04 0.08 0.00 0.84 0.00 0.00 57.88 59.07 1up5 h LEU 32 Cb -0.04 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 1up5 h LEU 32 CO -0.07 0.13 0.34 1.23 -0.34 0.00 0.00 178.44 179.73 1up5 h GLY 33 N 0.32 0.98 0.94 3.75 0.00 0.09 0.38 103.07 109.53 1up5 h GLY 33 Ca 0.19 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.31 1up5 h GLY 33 CO -0.18 0.09 0.19 -0.84 0.00 0.00 0.00 176.54 175.79 1up5 h THR 34 N 0.60 1.04 -0.53 4.70 2.02 -0.28 0.07 112.91 120.53 1up5 h THR 34 Ca 0.32 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 67.30 1up5 h THR 34 Cb 0.28 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1up5 h THR 34 CO -0.23 0.07 0.09 0.58 0.37 0.00 0.00 175.52 176.39 1up5 h VAL 35 N 0.38 1.23 -0.15 3.16 2.07 -0.39 -1.90 116.25 120.65 1up5 h VAL 35 Ca 0.12 -0.90 -0.19 0.00 0.82 0.00 0.00 66.70 66.56 1up5 h VAL 35 Cb -0.01 0.74 0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1up5 h VAL 35 CO -0.05 0.33 -0.63 0.24 0.02 0.00 0.00 177.57 177.48 1up5 h MET 36 N 0.80 0.70 0.20 1.57 2.86 -0.04 -2.70 114.93 118.32 1up5 h MET 36 Ca 0.17 -0.54 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 1up5 h MET 36 Cb 0.36 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1up5 h MET 36 CO 0.01 1.16 -0.10 0.00 1.06 0.00 0.00 176.91 179.04 1up5 h ARG 37 N 0.39 -0.26 0.00 1.72 3.08 -0.92 -0.93 114.38 117.46 1up5 h ARG 37 Ca -0.04 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1up5 h ARG 37 Cb 1.26 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1up5 h ARG 37 CO 0.13 -0.18 0.23 0.43 -1.07 0.00 0.00 179.97 179.52 1up5 n SER 38 N -5.21 0.05 -1.25 7.04 7.64 -0.72 0.01 113.62 121.17 1up5 n SER 38 Ca -0.09 0.32 0.08 0.00 1.01 0.00 0.00 58.87 60.19 1up5 n SER 38 Cb 0.13 -0.31 0.31 0.00 -1.01 0.00 0.00 64.21 63.33 1up5 n SER 38 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1up5 n LEU 39 N -1.39 4.49 -3.17 -3.43 4.77 -0.37 -4.97 117.00 112.92 1up5 n LEU 39 Ca -0.00 -2.87 -0.16 0.00 -0.03 0.00 0.00 56.01 52.95 1up5 n LEU 39 Cb 0.23 -0.57 0.08 0.00 -2.33 0.00 0.00 43.42 40.83 1up5 n LEU 39 CO 0.01 0.68 0.11 0.61 -1.33 0.00 0.00 177.39 177.46 1up5 n GLY 40 N 0.06 -0.28 3.01 -0.72 0.00 0.10 -5.08 105.19 102.28 1up5 n GLY 40 Ca 0.23 0.05 -0.15 0.00 0.00 0.00 0.00 46.02 46.15 1up5 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1up5 s GLN 41 N -5.28 0.47 -0.64 1.61 -0.21 -1.10 -5.02 119.66 109.50 1up5 s GLN 41 Ca 0.04 -0.45 0.05 0.00 0.02 0.00 0.00 55.36 55.02 1up5 s GLN 41 Cb -0.02 -0.36 0.17 0.00 1.00 0.00 0.00 33.01 33.80 1up5 s GLN 41 CO 0.65 0.09 0.46 1.21 -2.12 0.00 0.00 175.29 175.57 1up5 s ASN 42 N -0.79 4.06 0.44 5.90 2.47 -1.26 -3.32 114.94 122.44 1up5 s ASN 42 Ca -0.03 -3.67 -0.21 0.00 0.42 0.00 0.00 52.86 49.37 1up5 s ASN 42 Cb -0.06 -1.36 -0.11 0.00 -1.45 0.00 0.00 41.25 38.27 1up5 s ASN 42 CO 0.00 -0.10 0.96 -2.16 -3.72 0.00 0.00 177.10 172.07 1up5 s PRO 43 N -1.10 4.19 0.74 0.43 0.04 -1.26 -5.04 135.00 133.00 1up5 s PRO 43 Ca 0.27 1.12 -0.11 0.00 0.04 0.00 0.00 61.00 62.31 1up5 s PRO 43 Cb -0.03 -2.17 0.04 0.00 0.04 0.00 0.00 34.50 32.38 1up5 s PRO 43 CO -0.17 -0.06 1.08 0.95 0.04 0.00 0.00 177.00 178.84 1up5 s THR 44 N -2.20 3.51 0.57 1.26 -4.23 -1.26 -4.88 115.64 108.42 1up5 s THR 44 Ca 0.62 0.49 0.27 0.00 -1.18 0.00 0.00 61.69 61.89 1up5 s THR 44 Cb -0.09 -3.28 0.35 0.00 1.34 0.00 0.00 72.50 70.81 1up5 s THR 44 CO 0.14 -0.64 2.14 -0.08 -0.54 0.00 0.00 174.62 175.64 1up5 h GLU 45 N -0.87 0.00 0.18 3.99 4.57 -2.00 -2.27 114.58 118.19 1up5 h GLU 45 Ca -0.46 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.42 1up5 h GLU 45 Cb 1.24 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.85 1up5 h GLU 45 CO 0.59 0.00 -1.40 0.00 -1.18 0.00 0.00 179.01 177.03 1up5 h ALA 46 N 1.86 0.01 -0.66 2.92 0.00 -1.99 -2.54 119.26 118.85 1up5 h ALA 46 Ca 0.07 -0.91 -0.06 0.00 0.00 0.00 0.00 54.91 54.00 1up5 h ALA 46 Cb 0.34 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1up5 h ALA 46 CO -0.00 0.88 0.17 0.93 0.00 0.00 0.00 179.25 181.23 1up5 h GLU 47 N 0.11 1.05 0.29 0.00 5.08 -1.81 -1.48 114.58 117.81 1up5 h GLU 47 Ca -0.21 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1up5 h GLU 47 Cb 2.07 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.18 1up5 h GLU 47 CO 0.23 0.93 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.96 1up5 h LEU 48 N 0.97 -0.33 -0.65 1.33 3.38 -1.41 -1.22 115.31 117.38 1up5 h LEU 48 Ca 0.21 -0.15 0.13 0.00 0.09 0.00 0.00 57.88 58.16 1up5 h LEU 48 Cb 0.35 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.09 1up5 h LEU 48 CO 0.00 -0.03 0.15 -0.61 0.09 0.00 0.00 178.44 178.04 1up5 h GLN 49 N -0.65 0.26 -0.81 1.13 5.75 -1.50 -0.77 115.11 118.53 1up5 h GLN 49 Ca -0.04 -0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.49 1up5 h GLN 49 Cb 0.46 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.90 1up5 h GLN 49 CO 0.07 0.17 0.50 -0.44 -2.65 0.00 0.00 178.83 176.48 1up5 h ASP 50 N 0.27 0.81 -0.37 -0.69 3.32 -0.92 0.29 116.42 119.13 1up5 h ASP 50 Ca 0.35 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.28 1up5 h ASP 50 Cb 0.55 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1up5 h ASP 50 CO -0.44 0.54 -0.27 0.24 -1.72 0.00 0.00 179.24 177.59 1up5 h MET 51 N 0.95 0.83 -0.28 3.56 2.86 -0.24 -0.96 114.93 121.65 1up5 h MET 51 Ca 0.34 -0.40 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1up5 h MET 51 Cb 0.09 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1up5 h MET 51 CO -0.14 1.04 0.04 0.82 1.06 0.00 0.00 176.91 179.73 1up5 h ILE 52 N 0.63 1.23 -0.87 -1.22 1.08 -0.86 -3.05 117.51 114.46 1up5 h ILE 52 Ca 0.07 -0.81 0.08 0.00 -0.39 0.00 0.00 64.86 63.82 1up5 h ILE 52 Cb 0.84 1.21 -0.06 0.00 -3.07 0.00 0.00 36.82 35.75 1up5 h ILE 52 CO 0.07 0.26 0.56 0.78 -0.69 0.00 0.00 178.15 179.14 1up5 h ASN 53 N 0.29 0.81 0.38 1.72 -0.26 -0.15 -1.48 115.58 116.89 1up5 h ASN 53 Ca 0.09 0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.80 1up5 h ASN 53 Cb 0.35 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 1up5 h ASN 53 CO 0.01 0.50 -0.19 -0.08 -1.06 0.00 0.00 177.43 176.61 1up5 h GLU 54 N 0.91 0.00 0.00 0.81 4.81 -1.07 -3.05 114.58 116.99 1up5 h GLU 54 Ca 0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1up5 h GLU 54 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1up5 h GLU 54 CO -0.15 0.19 -1.66 0.28 -0.73 0.00 0.00 179.01 176.93 1up5 n VAL 55 N -3.82 0.00 -2.47 0.32 0.31 -0.76 -4.87 118.33 107.03 1up5 n VAL 55 Ca -0.02 -0.35 -0.43 0.00 -0.01 0.00 0.00 64.34 63.53 1up5 n VAL 55 Cb 0.29 0.28 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 1up5 n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1up5 n ASP 56 N -2.01 4.80 -0.35 4.52 2.03 -0.63 -4.82 116.55 120.09 1up5 n ASP 56 Ca -0.02 -2.92 0.03 0.00 0.52 0.00 0.00 54.79 52.40 1up5 n ASP 56 Cb 0.46 -1.70 0.20 0.00 -0.72 0.00 0.00 41.12 39.36 1up5 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1up5 h ALA 57 N 7.16 1.44 -0.00 -1.67 0.00 -1.89 -1.95 119.26 122.34 1up5 h ALA 57 Ca 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1up5 h ALA 57 Cb 0.82 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1up5 h ALA 57 CO 1.51 0.41 -0.14 -0.40 0.00 0.00 0.00 179.25 180.63 1up5 n ASP 58 N -4.50 0.38 -1.17 0.00 5.68 -1.26 -4.94 116.55 110.73 1up5 n ASP 58 Ca 0.15 -0.34 -0.15 0.00 -0.50 0.00 0.00 54.79 53.95 1up5 n ASP 58 Cb 0.20 -0.11 -0.07 0.00 -1.14 0.00 0.00 41.12 40.00 1up5 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1up5 n GLY 59 N 1.35 1.55 0.09 6.12 0.00 -0.74 -4.92 105.19 108.65 1up5 n GLY 59 Ca 0.12 -0.28 0.15 0.00 0.00 0.00 0.00 46.02 46.00 1up5 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1up5 n ASN 60 N -0.51 0.33 0.00 1.61 6.94 -1.26 -4.91 115.26 117.46 1up5 n ASN 60 Ca -0.15 -0.70 0.00 0.00 -0.02 0.00 0.00 54.58 53.71 1up5 n ASN 60 Cb 0.51 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 1up5 n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1up5 n GLY 61 N 1.19 1.54 3.42 4.83 0.00 -1.26 -5.05 105.19 109.86 1up5 n GLY 61 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 1up5 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1up5 s THR 62 N -2.33 1.00 -0.18 2.61 -4.23 -1.26 -4.64 115.64 106.61 1up5 s THR 62 Ca 0.00 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.47 1up5 s THR 62 Cb 0.00 -2.74 -0.02 0.00 1.34 0.00 0.00 72.50 71.08 1up5 s THR 62 CO 0.00 0.00 -0.04 -0.51 -0.54 0.00 0.00 174.62 173.53 1up5 s ILE 63 N -3.41 3.74 0.51 2.99 2.07 -0.70 -4.84 121.20 121.56 1up5 s ILE 63 Ca 0.36 -0.40 0.06 0.00 -1.41 0.00 0.00 60.65 59.27 1up5 s ILE 63 Cb 0.08 -2.66 0.05 0.00 0.13 0.00 0.00 42.46 40.06 1up5 s ILE 63 CO 0.15 0.46 0.71 1.51 -1.91 0.00 0.00 174.94 175.86 1up5 s ASP 64 N 0.73 5.32 0.14 4.50 1.47 -1.26 -0.44 116.67 127.13 1up5 s ASP 64 Ca -0.02 -0.44 -0.17 0.00 1.18 0.00 0.00 52.55 53.10 1up5 s ASP 64 Cb -0.14 -0.40 -0.01 0.00 -0.34 0.00 0.00 42.92 42.02 1up5 s ASP 64 CO 0.02 -1.09 1.79 0.15 0.68 0.00 0.00 175.17 176.72 1up5 h PHE 65 N 0.30 0.43 -0.76 2.11 3.57 -1.99 0.00 116.94 120.61 1up5 h PHE 65 Ca -0.38 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.27 1up5 h PHE 65 Cb 1.28 -0.14 -0.09 0.00 2.79 0.00 0.00 35.95 39.79 1up5 h PHE 65 CO 0.34 0.29 0.32 -1.35 -2.23 0.00 0.00 178.31 175.68 1up5 h PRO 66 N 0.45 0.46 -0.35 6.41 0.11 -1.96 0.64 132.00 137.76 1up5 h PRO 66 Ca 0.12 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.10 1up5 h PRO 66 Cb -0.03 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 1up5 h PRO 66 CO -0.03 0.31 -0.22 0.93 -0.21 0.00 0.00 178.00 178.78 1up5 h GLU 67 N 0.48 0.69 -0.37 1.05 5.08 -1.77 -2.23 114.58 117.50 1up5 h GLU 67 Ca 0.42 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.40 1up5 h GLU 67 Cb 0.62 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1up5 h GLU 67 CO -0.39 0.85 -0.24 0.35 -1.00 0.00 0.00 179.01 178.58 1up5 h PHE 68 N 0.60 0.85 -0.46 4.33 3.04 0.09 -2.27 116.94 123.13 1up5 h PHE 68 Ca 0.09 -0.20 -0.03 0.00 3.98 0.00 0.00 57.97 61.81 1up5 h PHE 68 Cb 0.69 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.98 1up5 h PHE 68 CO 0.03 0.91 0.15 -0.07 -2.02 0.00 0.00 178.31 177.32 1up5 h LEU 69 N 0.65 0.66 -0.34 0.59 3.38 0.63 -0.15 115.31 120.73 1up5 h LEU 69 Ca 0.09 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.91 1up5 h LEU 69 Cb 0.74 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1up5 h LEU 69 CO 0.06 0.69 0.07 0.74 0.09 0.00 0.00 178.44 180.09 1up5 h THR 70 N 0.61 0.84 -0.56 0.22 2.02 -1.30 -0.48 112.91 114.25 1up5 h THR 70 Ca 0.15 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 67.19 1up5 h THR 70 Cb 0.25 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1up5 h THR 70 CO -0.01 0.04 0.08 -0.03 0.37 0.00 0.00 175.52 175.97 1up5 h MET 71 N 0.19 0.94 -0.19 6.66 1.85 -1.18 -2.77 114.93 120.43 1up5 h MET 71 Ca 0.16 -0.26 -0.16 0.00 -0.61 0.00 0.00 59.70 58.83 1up5 h MET 71 Cb 0.18 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.09 1up5 h MET 71 CO -0.21 0.90 -0.56 1.98 -0.40 0.00 0.00 176.91 178.63 1up5 h MET 72 N 0.83 0.57 -0.18 0.39 -1.53 -0.48 0.25 114.93 114.78 1up5 h MET 72 Ca 0.17 -0.36 -0.10 0.00 -3.44 0.00 0.00 59.70 55.97 1up5 h MET 72 Cb 0.43 0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.51 1up5 h MET 72 CO 0.01 0.97 -0.32 0.00 0.14 0.00 0.00 176.91 177.72 1up5 h ALA 73 N 0.95 1.13 0.00 0.39 0.00 -1.03 -0.42 119.26 120.29 1up5 h ALA 73 Ca 0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1up5 h ALA 73 Cb 1.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1up5 h ALA 73 CO 0.11 0.55 -0.00 -0.09 0.00 0.00 0.00 179.25 179.82 1up5 h ARG 74 N 0.31 -0.00 -0.58 0.00 2.43 -1.28 -2.98 114.38 112.28 1up5 h ARG 74 Ca 0.04 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.28 1up5 h ARG 74 Cb 0.71 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 1up5 h ARG 74 CO 0.05 0.62 0.39 -0.22 -1.51 0.00 0.00 179.97 179.30 1up5 h LYS 75 N -0.63 0.48 -0.22 0.20 3.64 -0.72 -0.54 116.57 118.77 1up5 h LYS 75 Ca -0.00 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 1up5 h LYS 75 Cb 0.62 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1up5 h LYS 75 CO 0.00 0.32 -0.57 1.98 -2.27 0.00 0.00 179.45 178.91 1up5 h MET 76 N 0.49 0.68 -0.20 1.90 4.05 -1.14 -0.90 114.93 119.81 1up5 h MET 76 Ca 0.26 -0.44 -0.09 0.00 -0.28 0.00 0.00 59.70 59.15 1up5 h MET 76 Cb 0.38 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 1up5 h MET 76 CO -0.07 1.06 -0.28 0.87 0.23 0.00 0.00 176.91 178.71 1up5 h LYS 77 N 0.51 0.38 -0.24 0.39 1.57 -1.20 -1.87 116.57 116.12 1up5 h LYS 77 Ca 0.01 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 58.50 1up5 h LYS 77 Cb 1.14 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 1up5 h LYS 77 CO 0.11 0.63 -0.39 -0.44 -0.57 0.00 0.00 179.45 178.79 1up5 h ASP 78 N 0.33 0.77 -0.38 0.86 5.19 -0.99 -2.82 116.42 119.38 1up5 h ASP 78 Ca 0.05 -0.52 -0.08 0.00 -0.62 0.00 0.00 57.03 55.85 1up5 h ASP 78 Cb 0.67 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 1up5 h ASP 78 CO 0.05 1.14 -0.09 0.74 -3.12 0.00 0.00 179.24 177.96 1up5 h THR 79 N 0.41 1.28 -0.92 0.35 2.02 -1.06 0.05 112.91 115.04 1up5 h THR 79 Ca 0.02 -1.17 0.06 0.00 0.77 0.00 0.00 66.41 66.09 1up5 h THR 79 Cb 0.99 1.24 -0.06 0.00 -1.74 0.00 0.00 68.15 68.58 1up5 h THR 79 CO 0.09 0.39 0.60 0.44 0.37 0.00 0.00 175.52 177.41 1up5 h ASP 80 N 0.54 0.94 -0.07 4.18 3.32 -1.40 -0.27 116.42 123.66 1up5 h ASP 80 Ca 0.10 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 1up5 h ASP 80 Cb 0.60 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1up5 h ASP 80 CO 0.04 0.62 -0.15 -1.28 -1.72 0.00 0.00 179.24 176.75 1up5 h SER 81 N 1.08 0.25 -0.91 6.45 0.87 -1.19 -2.53 113.55 117.57 1up5 h SER 81 Ca 0.39 -0.57 0.04 0.00 -1.23 0.00 0.00 61.79 60.42 1up5 h SER 81 Cb 0.15 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 61.98 1up5 h SER 81 CO -0.14 0.77 0.59 -0.08 -0.53 0.00 0.00 176.83 177.45 1up5 h GLU 82 N -0.26 1.10 0.00 2.24 4.81 -0.72 -1.88 114.58 119.86 1up5 h GLU 82 Ca 0.00 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.06 1up5 h GLU 82 Cb 0.73 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1up5 h GLU 82 CO 0.03 0.73 -0.49 0.93 -0.73 0.00 0.00 179.01 179.48 1up5 h GLU 83 N 1.13 0.00 0.05 1.92 5.08 -0.99 -0.93 114.58 120.83 1up5 h GLU 83 Ca 0.36 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.52 1up5 h GLU 83 Cb 0.02 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.29 1up5 h GLU 83 CO -0.11 0.49 -0.80 0.93 -1.00 0.00 0.00 179.01 178.52 1up5 h GLU 84 N 0.00 0.46 -0.23 2.33 5.08 -1.06 -2.39 114.58 118.76 1up5 h GLU 84 Ca -0.00 -0.56 -0.13 0.00 -1.00 0.00 0.00 59.36 57.67 1up5 h GLU 84 Cb 0.91 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1up5 h GLU 84 CO 0.06 1.20 -0.40 0.82 -1.00 0.00 0.00 179.01 179.69 1up5 h ILE 85 N -0.04 1.30 -0.40 3.13 2.04 -1.33 -2.60 117.51 119.61 1up5 h ILE 85 Ca -0.11 -1.57 -0.15 0.00 1.00 0.00 0.00 64.86 64.03 1up5 h ILE 85 Cb 1.52 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 1up5 h ILE 85 CO 0.15 0.49 -0.33 0.03 0.00 0.00 0.00 178.15 178.49 1up5 h ARG 86 N 0.45 0.92 -0.16 2.37 3.08 -1.23 -1.92 114.38 117.89 1up5 h ARG 86 Ca 0.04 -0.47 -0.08 0.00 0.07 0.00 0.00 59.98 59.55 1up5 h ARG 86 Cb 0.90 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1up5 h ARG 86 CO 0.08 1.12 -0.24 1.05 -1.07 0.00 0.00 179.97 180.91 1up5 h GLU 87 N 0.74 0.28 -0.07 0.04 4.11 -1.37 -1.75 114.58 116.57 1up5 h GLU 87 Ca 0.07 -0.09 -0.11 0.00 0.07 0.00 0.00 59.36 59.30 1up5 h GLU 87 Cb 0.92 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1up5 h GLU 87 CO 0.09 0.51 -0.44 0.00 0.07 0.00 0.00 179.01 179.23 1up5 h ALA 88 N 1.50 1.14 -0.15 1.06 0.00 -1.32 -2.96 119.26 118.53 1up5 h ALA 88 Ca 0.04 -0.42 -0.21 0.00 0.00 0.00 0.00 54.91 54.31 1up5 h ALA 88 Cb 0.57 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1up5 h ALA 88 CO 0.04 0.59 -0.75 0.35 0.00 0.00 0.00 179.25 179.48 1up5 h PHE 89 N 0.13 0.99 -0.22 0.00 3.57 -0.82 -2.66 116.94 117.93 1up5 h PHE 89 Ca 0.01 -0.43 -0.03 0.00 3.53 0.00 0.00 57.97 61.05 1up5 h PHE 89 Cb 0.83 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1up5 h PHE 89 CO 0.01 1.25 0.01 0.00 -2.23 0.00 0.00 178.31 177.35 1up5 h ARG 90 N 0.51 0.31 -0.34 1.11 3.08 -1.33 -0.88 114.38 116.85 1up5 h ARG 90 Ca -0.04 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.80 1up5 h ARG 90 Cb 1.37 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 1up5 h ARG 90 CO 0.15 0.34 -0.43 0.28 -1.07 0.00 0.00 179.97 179.24 1up5 h VAL 91 N 0.31 1.28 -0.26 2.04 2.07 -1.35 -3.13 116.25 117.20 1up5 h VAL 91 Ca 0.07 -1.61 -0.15 0.00 0.82 0.00 0.00 66.70 65.84 1up5 h VAL 91 Cb 0.20 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1up5 h VAL 91 CO 0.00 0.53 -0.43 -0.26 0.02 0.00 0.00 177.57 177.43 1up5 h PHE 92 N 0.69 0.79 -2.79 1.57 -1.00 -1.11 -3.39 116.94 111.70 1up5 h PHE 92 Ca 0.05 -0.24 -0.76 0.00 2.81 0.00 0.00 57.97 59.82 1up5 h PHE 92 Cb 1.01 -0.16 -0.22 0.00 3.61 0.00 0.00 35.95 40.19 1up5 h PHE 92 CO 0.06 0.98 0.93 0.34 -1.61 0.00 0.00 178.31 179.01 1up5 s ASP 93 N -6.87 7.14 0.19 2.17 2.15 -0.37 -4.62 116.67 116.47 1up5 s ASP 93 Ca -0.08 -3.18 -0.12 0.00 0.43 0.00 0.00 52.55 49.60 1up5 s ASP 93 Cb 0.12 -2.32 0.22 0.00 -0.30 0.00 0.00 42.92 40.64 1up5 s ASP 93 CO 0.84 -0.57 1.73 0.50 -0.17 0.00 0.00 175.17 177.50 1up5 h LYS 94 N 7.06 0.29 -0.01 4.34 3.64 -1.77 -2.35 116.57 127.78 1up5 h LYS 94 Ca 0.25 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1up5 h LYS 94 Cb 0.89 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1up5 h LYS 94 CO 1.13 0.19 -0.15 -0.40 -2.27 0.00 0.00 179.45 177.96 1up5 n ASP 95 N -5.06 1.39 -0.33 4.20 5.68 -1.26 -4.97 116.55 116.20 1up5 n ASP 95 Ca 0.07 -1.24 -0.04 0.00 -0.50 0.00 0.00 54.79 53.07 1up5 n ASP 95 Cb 0.25 0.09 -0.02 0.00 -1.14 0.00 0.00 41.12 40.30 1up5 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1up5 n GLY 96 N 1.28 0.69 0.00 6.12 0.00 -0.88 -4.90 105.19 107.50 1up5 n GLY 96 Ca 0.15 -0.44 0.02 0.00 0.00 0.00 0.00 46.02 45.75 1up5 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1up5 n ASN 97 N 0.38 0.00 -0.06 1.61 6.94 -1.26 -4.87 115.26 118.00 1up5 n ASN 97 Ca -0.04 -1.50 -0.01 0.00 -0.02 0.00 0.00 54.58 53.01 1up5 n ASN 97 Cb 0.21 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.62 1up5 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1up5 n GLY 98 N 0.35 0.48 2.90 4.83 0.00 -1.26 -5.04 105.19 107.45 1up5 n GLY 98 Ca 0.03 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 1up5 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1up5 s TYR 99 N -1.98 -0.08 -0.26 1.61 1.51 -1.26 -4.29 117.35 112.59 1up5 s TYR 99 Ca 0.00 0.26 -0.21 0.00 -1.01 0.00 0.00 57.07 56.11 1up5 s TYR 99 Cb 0.00 -0.06 -0.01 0.00 -0.11 0.00 0.00 41.96 41.77 1up5 s TYR 99 CO 0.00 -0.09 0.67 0.42 -1.11 0.00 0.00 175.55 175.44 1up5 s ILE 100 N 0.58 4.95 0.52 2.71 1.01 0.18 -4.80 121.20 126.35 1up5 s ILE 100 Ca -0.05 1.17 0.00 0.00 0.00 0.00 0.00 60.65 61.78 1up5 s ILE 100 Cb -0.06 -3.98 0.02 0.00 0.01 0.00 0.00 42.46 38.45 1up5 s ILE 100 CO -0.02 -0.02 0.76 -0.94 0.00 0.00 0.00 174.94 174.71 1up5 s SER 101 N 1.48 5.47 0.36 3.58 1.04 -1.26 -0.97 113.70 123.40 1up5 s SER 101 Ca 0.28 0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.92 1up5 s SER 101 Cb -0.15 -1.18 0.68 0.00 0.10 0.00 0.00 66.02 65.47 1up5 s SER 101 CO 0.09 -1.00 1.97 0.00 0.98 0.00 0.00 173.24 175.27 1up5 h ALA 102 N 0.14 1.51 -0.01 5.32 0.00 -1.92 -1.68 119.26 122.63 1up5 h ALA 102 Ca -0.44 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.20 1up5 h ALA 102 Cb 1.28 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1up5 h ALA 102 CO 0.55 0.39 -0.77 0.00 0.00 0.00 0.00 179.25 179.42 1up5 h ALA 103 N 1.59 0.71 -0.17 0.00 0.00 -1.97 -1.93 119.26 117.48 1up5 h ALA 103 Ca 0.16 -0.68 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 1up5 h ALA 103 Cb 0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1up5 h ALA 103 CO -0.02 0.91 -0.28 0.93 0.00 0.00 0.00 179.25 180.79 1up5 h GLU 104 N 0.05 0.50 -0.27 0.00 5.08 -1.76 -2.22 114.58 115.96 1up5 h GLU 104 Ca -0.02 -0.30 0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1up5 h GLU 104 Cb 1.35 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 1up5 h GLU 104 CO 0.11 0.90 0.12 1.25 -1.00 0.00 0.00 179.01 180.39 1up5 h LEU 105 N 0.14 0.17 -0.62 1.33 5.85 -1.33 -0.78 115.31 120.06 1up5 h LEU 105 Ca 0.01 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1up5 h LEU 105 Cb 0.86 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 1up5 h LEU 105 CO 0.06 0.14 0.37 -0.09 -0.34 0.00 0.00 178.44 178.58 1up5 h ARG 106 N 0.26 0.85 -0.74 1.25 2.43 -1.27 -1.83 114.38 115.33 1up5 h ARG 106 Ca 0.11 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1up5 h ARG 106 Cb 0.05 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 1up5 h ARG 106 CO -0.09 0.61 0.21 1.25 -1.51 0.00 0.00 179.97 180.45 1up5 h HIS 107 N 0.84 1.20 -0.14 2.20 2.76 -1.17 -1.04 115.15 119.81 1up5 h HIS 107 Ca 0.22 -0.13 -0.05 0.00 -2.20 0.00 0.00 60.37 58.21 1up5 h HIS 107 Cb -0.01 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 28.60 1up5 h HIS 107 CO -0.02 0.96 -0.12 0.28 -1.30 0.00 0.00 177.93 177.73 1up5 h VAL 108 N 1.10 1.34 -0.84 5.26 2.07 -0.76 -0.25 116.25 124.18 1up5 h VAL 108 Ca 0.24 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.52 1up5 h VAL 108 Cb 0.33 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 1up5 h VAL 108 CO -0.00 0.37 0.56 0.24 0.02 0.00 0.00 177.57 178.75 1up5 h MET 109 N -0.04 1.04 -0.19 1.57 2.07 -1.23 -2.74 114.93 115.40 1up5 h MET 109 Ca 0.02 -0.06 -0.18 0.00 -2.07 0.00 0.00 59.70 57.41 1up5 h MET 109 Cb 0.64 -0.23 0.00 0.00 -1.87 0.00 0.00 31.60 30.14 1up5 h MET 109 CO 0.03 0.69 -0.57 1.15 1.07 0.00 0.00 176.91 179.28 1up5 h THR 110 N 1.07 1.30 0.00 2.22 2.02 -0.92 -0.27 112.91 118.34 1up5 h THR 110 Ca 0.33 -1.80 -0.05 0.00 0.77 0.00 0.00 66.41 65.66 1up5 h THR 110 Cb -0.01 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1up5 h THR 110 CO -0.09 0.57 -0.24 0.78 0.37 0.00 0.00 175.52 176.90 1up5 h ASN 111 N 0.44 0.00 0.66 4.18 4.21 -1.03 -1.59 115.58 122.44 1up5 h ASN 111 Ca -0.02 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.35 1up5 h ASN 111 Cb 1.19 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.37 1up5 h ASN 111 CO 0.12 0.24 -0.67 0.25 -1.29 0.00 0.00 177.43 176.09 1up5 h LEU 112 N 0.00 0.01 0.00 1.61 6.46 -1.39 -3.49 115.31 118.52 1up5 h LEU 112 Ca -0.00 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1up5 h LEU 112 Cb 0.47 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.40 1up5 h LEU 112 CO 0.03 0.68 0.00 0.61 -0.62 0.00 0.00 178.44 179.14 1up5 n GLY 113 N 0.39 3.72 3.66 3.75 0.00 -0.60 -5.10 105.19 111.01 1up5 n GLY 113 Ca -0.01 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 1up5 n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1up5 s GLU 114 N 0.00 -0.48 0.00 1.61 2.56 -0.21 -4.78 118.70 117.41 1up5 s GLU 114 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.97 55.04 1up5 s GLU 114 Cb 0.00 -1.67 0.00 0.00 2.00 0.00 0.00 34.13 34.46 1up5 s GLU 114 CO 0.00 -3.24 0.00 1.28 -0.56 0.00 0.00 175.26 172.74 1up5 n LEU 116 N -4.45 0.00 -4.91 2.70 4.77 -1.26 -3.86 117.00 109.99 1up5 n LEU 116 Ca 0.11 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.81 1up5 n LEU 116 Cb 0.59 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.72 1up5 n LEU 116 CO 0.49 0.00 0.63 0.42 -1.33 0.00 0.00 177.39 177.61 1up5 s THR 117 N -2.00 3.38 0.23 -5.08 -4.23 -1.26 -4.87 115.64 101.81 1up5 s THR 117 Ca 0.00 0.15 -0.07 0.00 -1.18 0.00 0.00 61.69 60.60 1up5 s THR 117 Cb 0.00 -3.40 0.19 0.00 1.34 0.00 0.00 72.50 70.64 1up5 s THR 117 CO 0.00 -0.46 1.72 0.44 -0.54 0.00 0.00 174.62 175.78 1up5 h ASP 118 N -0.44 0.16 -0.38 3.99 3.32 -1.99 -0.50 116.42 120.59 1up5 h ASP 118 Ca -0.45 0.11 0.08 0.00 0.02 0.00 0.00 57.03 56.79 1up5 h ASP 118 Cb 1.26 0.11 -0.08 0.00 0.22 0.00 0.00 39.33 40.85 1up5 h ASP 118 CO 0.62 0.07 -0.16 -0.08 -1.72 0.00 0.00 179.24 177.97 1up5 h GLU 119 N 0.37 -0.08 -0.36 3.56 4.57 -1.99 -1.14 114.58 119.50 1up5 h GLU 119 Ca 0.37 0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.47 1up5 h GLU 119 Cb 0.56 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1up5 h GLU 119 CO -0.40 -0.05 -0.13 0.93 -1.18 0.00 0.00 179.01 178.17 1up5 h GLU 120 N -0.08 0.72 -0.55 1.92 5.08 -1.82 -2.23 114.58 117.62 1up5 h GLU 120 Ca 0.19 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1up5 h GLU 120 Cb 0.37 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1up5 h GLU 120 CO -0.44 0.90 0.16 0.28 -1.00 0.00 0.00 179.01 178.91 1up5 h VAL 121 N 0.51 1.24 -0.85 3.13 2.07 -0.86 -2.06 116.25 119.43 1up5 h VAL 121 Ca 0.09 -0.82 0.07 0.00 0.82 0.00 0.00 66.70 66.86 1up5 h VAL 121 Cb 0.66 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 1up5 h VAL 121 CO 0.04 0.31 0.56 0.44 0.02 0.00 0.00 177.57 178.94 1up5 h ASP 122 N 0.78 0.82 -0.74 0.57 3.32 -1.14 -1.69 116.42 118.33 1up5 h ASP 122 Ca 0.18 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 1up5 h ASP 122 Cb 0.30 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1up5 h ASP 122 CO -0.00 0.51 0.26 -0.33 -1.72 0.00 0.00 179.24 177.96 1up5 h GLU 123 N 0.92 1.13 -0.19 3.56 5.08 -0.94 -1.83 114.58 122.31 1up5 h GLU 123 Ca 0.37 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1up5 h GLU 123 Cb 0.27 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1up5 h GLU 123 CO -0.14 0.95 -0.19 0.52 -1.00 0.00 0.00 179.01 179.14 1up5 h MET 124 N 1.08 0.32 0.10 2.33 2.86 -0.68 -1.26 114.93 119.67 1up5 h MET 124 Ca 0.24 -0.09 -0.17 0.00 -2.06 0.00 0.00 59.70 57.62 1up5 h MET 124 Cb 0.27 -0.03 0.02 0.00 0.06 0.00 0.00 31.60 31.91 1up5 h MET 124 CO -0.01 0.51 -0.71 0.82 1.06 0.00 0.00 176.91 178.58 1up5 h ILE 125 N 0.29 1.51 -0.74 -1.22 1.08 -1.12 -3.03 117.51 114.28 1up5 h ILE 125 Ca 0.05 -2.40 0.05 0.00 -0.39 0.00 0.00 64.86 62.17 1up5 h ILE 125 Cb 0.51 3.05 -0.05 0.00 -3.07 0.00 0.00 36.82 37.26 1up5 h ILE 125 CO 0.03 0.68 0.45 0.03 -0.69 0.00 0.00 178.15 178.65 1up5 h ARG 126 N -0.34 0.83 -0.95 2.37 3.08 -1.21 -0.02 114.38 118.13 1up5 h ARG 126 Ca -0.12 -0.05 0.08 0.00 0.07 0.00 0.00 59.98 59.97 1up5 h ARG 126 Cb 1.51 -0.19 -0.07 0.00 0.08 0.00 0.00 29.97 31.31 1up5 h ARG 126 CO 0.13 0.55 0.61 1.49 -1.07 0.00 0.00 179.97 181.69 1up5 h GLU 127 N 0.85 1.01 0.00 0.04 4.81 -1.25 -3.05 114.58 117.00 1up5 h GLU 127 Ca 0.31 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1up5 h GLU 127 Cb 0.10 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1up5 h GLU 127 CO -0.14 0.67 -0.79 0.00 -0.73 0.00 0.00 179.01 178.02 1up5 n ALA 128 N -2.38 3.64 -2.79 2.92 0.00 -0.84 -4.75 120.51 116.31 1up5 n ALA 128 Ca 0.15 -0.40 -0.44 0.00 0.00 0.00 0.00 53.44 52.76 1up5 n ALA 128 Cb 0.24 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1up5 n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1up5 n ASP 129 N -1.72 5.14 -0.28 0.00 2.03 -0.08 -4.77 116.55 116.87 1up5 n ASP 129 Ca 0.04 -2.98 -0.05 0.00 0.52 0.00 0.00 54.79 52.32 1up5 n ASP 129 Cb 0.38 -1.59 0.07 0.00 -0.72 0.00 0.00 41.12 39.26 1up5 n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1up5 h ILE 130 N 4.64 1.21 -0.23 5.18 2.04 -1.85 -2.69 117.51 125.80 1up5 h ILE 130 Ca 0.35 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1up5 h ILE 130 Cb 0.83 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1up5 h ILE 130 CO 1.34 0.21 0.00 -0.90 0.00 0.00 0.00 178.15 178.80 1up5 n ASP 131 N -4.52 2.07 -1.08 1.72 3.85 -1.26 -4.93 116.55 112.40 1up5 n ASP 131 Ca 0.07 -1.79 -0.14 0.00 -0.71 0.00 0.00 54.79 52.22 1up5 n ASP 131 Cb 0.04 -0.15 -0.06 0.00 -1.35 0.00 0.00 41.12 39.60 1up5 n ASP 131 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1up5 n GLY 132 N 1.21 1.42 0.62 6.12 0.00 -1.02 -4.87 105.19 108.68 1up5 n GLY 132 Ca 0.16 -0.37 0.01 0.00 0.00 0.00 0.00 46.02 45.83 1up5 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1up5 n ASP 133 N -0.26 1.53 -0.14 1.61 5.75 -1.26 -4.90 116.55 118.87 1up5 n ASP 133 Ca -0.14 -2.12 -0.02 0.00 -0.01 0.00 0.00 54.79 52.50 1up5 n ASP 133 Cb 0.46 -0.44 -0.01 0.00 -1.03 0.00 0.00 41.12 40.10 1up5 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1up5 n GLY 134 N 0.21 0.28 3.52 6.12 0.00 -1.26 -5.00 105.19 109.05 1up5 n GLY 134 Ca 0.04 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1up5 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1up5 s GLN 135 N -1.78 1.75 -0.26 1.61 -0.21 -1.26 -4.73 119.66 114.78 1up5 s GLN 135 Ca 0.00 -1.56 0.01 0.00 0.02 0.00 0.00 55.36 53.83 1up5 s GLN 135 Cb 0.00 0.45 0.05 0.00 1.00 0.00 0.00 33.01 34.51 1up5 s GLN 135 CO 0.00 -0.72 -0.09 0.08 -2.12 0.00 0.00 175.29 172.44 1up5 s VAL 136 N -3.42 2.46 0.84 1.09 1.01 -0.14 -4.64 120.40 117.59 1up5 s VAL 136 Ca 0.28 -1.42 -0.08 0.00 0.00 0.00 0.00 61.98 60.76 1up5 s VAL 136 Cb -0.00 -2.37 0.16 0.00 0.00 0.00 0.00 36.38 34.17 1up5 s VAL 136 CO 0.15 0.04 1.15 0.54 0.00 0.00 0.00 175.10 176.99 1up5 s ASN 137 N 1.19 3.74 0.21 3.32 2.20 -1.26 0.51 114.94 124.84 1up5 s ASN 137 Ca -0.05 -0.07 -0.10 0.00 -0.94 0.00 0.00 52.86 51.69 1up5 s ASN 137 Cb -0.19 -0.14 0.15 0.00 -2.00 0.00 0.00 41.25 39.07 1up5 s ASN 137 CO -0.05 -2.29 1.85 0.22 -2.94 0.00 0.00 177.10 173.89 1up5 h TYR 138 N -1.07 0.98 -0.44 1.54 3.20 -1.99 -1.42 116.97 117.77 1up5 h TYR 138 Ca -0.40 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.37 1up5 h TYR 138 Cb 1.25 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 1up5 h TYR 138 CO -0.66 0.66 -0.11 1.49 -1.64 0.00 0.00 178.16 177.89 1up5 h GLU 139 N 1.02 0.80 -0.58 1.82 4.81 -1.96 -1.08 114.58 119.42 1up5 h GLU 139 Ca 0.27 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1up5 h GLU 139 Cb -0.04 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1up5 h GLU 139 CO -0.05 0.88 0.15 0.93 -0.73 0.00 0.00 179.01 180.19 1up5 h GLU 140 N 0.72 0.92 -0.39 1.92 5.08 -1.82 -1.08 114.58 119.93 1up5 h GLU 140 Ca 0.12 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1up5 h GLU 140 Cb 0.60 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1up5 h GLU 140 CO 0.04 0.84 0.11 0.35 -1.00 0.00 0.00 179.01 179.35 1up5 h PHE 141 N 0.82 0.64 -0.55 4.33 3.57 -0.92 0.16 116.94 124.99 1up5 h PHE 141 Ca 0.18 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1up5 h PHE 141 Cb 0.33 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 1up5 h PHE 141 CO 0.02 0.61 0.27 -0.39 -2.23 0.00 0.00 178.31 176.59 1up5 h VAL 142 N 0.48 1.20 -0.25 1.41 -1.51 -1.06 -2.71 116.25 113.81 1up5 h VAL 142 Ca 0.12 -0.57 -0.01 0.00 -1.23 0.00 0.00 66.70 65.01 1up5 h VAL 142 Cb 0.28 0.56 -0.01 0.00 -2.13 0.00 0.00 31.29 29.99 1up5 h VAL 142 CO -0.00 0.23 0.10 -0.61 -1.23 0.00 0.00 177.57 176.06 1up5 h GLN 143 N 0.75 0.38 -0.34 5.19 4.15 -0.64 -2.34 115.11 122.25 1up5 h GLN 143 Ca 0.19 -0.07 0.10 0.00 0.77 0.00 0.00 58.65 59.64 1up5 h GLN 143 Cb 0.12 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 1up5 h GLN 143 CO -0.02 0.42 0.27 1.98 -1.93 0.00 0.00 178.83 179.54 1up5 h MET 144 N 0.26 0.00 0.00 1.69 4.05 -0.60 0.76 114.93 121.09 1up5 h MET 144 Ca 0.08 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1up5 h MET 144 Cb 0.18 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 1up5 h MET 144 CO -0.01 0.00 0.00 0.52 0.23 0.00 0.00 176.91 177.65 1up5 h MET 145 N 0.00 0.00 0.00 0.39 2.86 -1.10 -3.41 114.93 113.68 1up5 h MET 145 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1up5 h MET 145 Cb 0.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1up5 h MET 145 CO -0.00 0.00 0.00 2.41 1.06 0.00 0.00 176.91 180.38 1up5 n THR 146 N -2.70 0.00 0.00 2.22 -1.04 0.24 -4.99 114.28 108.02 1up5 n THR 146 Ca 0.02 0.19 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1up5 n THR 146 Cb 0.31 -1.13 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 1up5 n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1up5 n ALA 147 N -1.95 0.00 0.00 2.41 0.00 0.12 -5.12 120.51 115.98 1up5 n ALA 147 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1up5 n ALA 147 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1up5 n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67