#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mnm s ARG 19 N 0.00 3.01 -0.45 -0.14 1.70 -1.26 -5.04 118.95 116.77 1mnm s ARG 19 Ca 0.00 -1.23 -0.28 0.00 -0.47 0.00 0.00 55.73 53.75 1mnm s ARG 19 Cb 0.00 -4.11 -0.01 0.00 -0.57 0.00 0.00 34.95 30.26 1mnm s ARG 19 CO 0.00 -1.04 1.69 0.15 -1.08 0.00 0.00 175.30 175.02 1mnm s LYS 20 N 1.83 3.19 -0.25 3.89 -0.14 -1.26 -4.92 119.74 122.08 1mnm s LYS 20 Ca 0.06 0.99 -0.42 0.00 -1.36 0.00 0.00 55.97 55.24 1mnm s LYS 20 Cb -0.23 -4.21 -0.18 0.00 -1.68 0.00 0.00 37.83 31.53 1mnm s LYS 20 CO 0.08 -2.05 1.51 -0.89 -0.76 0.00 0.00 175.35 173.24 1mnm n ILE 21 N 7.23 0.10 -2.58 2.17 5.41 -1.26 -4.88 119.36 125.54 1mnm n ILE 21 Ca 0.20 -0.02 -0.41 0.00 1.00 0.00 0.00 62.75 63.52 1mnm n ILE 21 Cb 0.49 -0.68 -0.04 0.00 -0.71 0.00 0.00 39.64 38.70 1mnm n ILE 21 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1mnm s GLU 22 N 2.24 4.61 -1.08 0.38 4.04 -1.26 -4.98 118.70 122.65 1mnm s GLU 22 Ca 0.97 1.63 -0.06 0.00 0.04 0.00 0.00 54.97 57.55 1mnm s GLU 22 Cb -1.24 -3.32 0.29 0.00 0.02 0.00 0.00 34.13 29.88 1mnm s GLU 22 CO 0.67 0.08 1.26 -0.89 -1.84 0.00 0.00 175.26 174.54 1mnm n ILE 23 N 2.69 4.78 -4.30 1.83 2.08 -1.26 -4.98 119.36 120.20 1mnm n ILE 23 Ca 0.03 -5.62 -0.16 0.00 0.56 0.00 0.00 62.75 57.56 1mnm n ILE 23 Cb 0.47 -2.34 -0.10 0.00 -0.75 0.00 0.00 39.64 36.93 1mnm n ILE 23 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1mnm s LYS 24 N -2.01 1.20 0.13 0.38 3.01 -1.26 -5.10 119.74 116.10 1mnm s LYS 24 Ca 0.31 -1.54 -0.32 0.00 -1.01 0.00 0.00 55.97 53.41 1mnm s LYS 24 Cb -0.03 -0.78 -0.12 0.00 -1.01 0.00 0.00 37.83 35.90 1mnm s LYS 24 CO 0.00 0.07 1.77 0.34 0.51 0.00 0.00 175.35 178.05 1mnm n PHE 25 N -0.30 2.58 -2.47 3.18 7.35 -1.26 -4.91 117.46 121.63 1mnm n PHE 25 Ca -0.09 -0.03 -0.43 0.00 -0.76 0.00 0.00 57.45 56.15 1mnm n PHE 25 Cb 0.61 -2.68 -0.02 0.00 0.35 0.00 0.00 39.48 37.74 1mnm n PHE 25 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1mnm s ILE 26 N 2.16 4.21 -0.03 -2.13 1.01 -1.26 -4.93 121.20 120.22 1mnm s ILE 26 Ca 0.81 1.36 -0.25 0.00 0.00 0.00 0.00 60.65 62.57 1mnm s ILE 26 Cb -0.54 -4.22 -0.19 0.00 0.01 0.00 0.00 42.46 37.52 1mnm s ILE 26 CO 0.37 -0.50 1.14 -0.33 0.00 0.00 0.00 174.94 175.62 1mnm h GLU 27 N 9.08 -0.09 -6.32 2.79 4.39 -2.01 -3.44 114.58 118.99 1mnm h GLU 27 Ca -0.25 0.01 -0.59 0.00 0.34 0.00 0.00 59.36 58.86 1mnm h GLU 27 Cb 1.09 0.02 0.02 0.00 -0.10 0.00 0.00 28.75 29.78 1mnm h GLU 27 CO 1.04 0.41 1.10 -1.71 -1.16 0.00 0.00 179.01 178.69 1mnm n ASN 28 N -4.88 3.57 -0.02 1.42 2.85 -1.26 -4.90 115.26 112.05 1mnm n ASN 28 Ca -0.09 0.97 -0.12 0.00 -0.11 0.00 0.00 54.58 55.24 1mnm n ASN 28 Cb 0.27 -1.41 -0.07 0.00 1.24 0.00 0.00 39.78 39.81 1mnm n ASN 28 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1mnm h LYS 29 N 9.15 0.13 -0.62 1.20 3.64 -1.99 -0.60 116.57 127.47 1mnm h LYS 29 Ca -0.48 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.86 1mnm h LYS 29 Cb 1.26 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.04 1mnm h LYS 29 CO 0.94 0.35 0.36 1.79 -2.27 0.00 0.00 179.45 180.63 1mnm h THR 30 N -0.12 1.18 -0.08 1.00 1.35 -1.98 -1.14 112.91 113.12 1mnm h THR 30 Ca 0.02 -0.41 -0.22 0.00 -0.55 0.00 0.00 66.41 65.26 1mnm h THR 30 Cb 0.29 0.31 0.01 0.00 -1.73 0.00 0.00 68.15 67.02 1mnm h THR 30 CO 0.00 0.19 -0.83 0.03 -0.25 0.00 0.00 175.52 174.66 1mnm h ARG 31 N 0.85 0.58 -0.40 4.72 -0.00 -1.95 -2.89 114.38 115.30 1mnm h ARG 31 Ca 0.22 -0.52 -0.01 0.00 -0.50 0.00 0.00 59.98 59.17 1mnm h ARG 31 Cb -0.02 0.12 -0.02 0.00 0.00 0.00 0.00 29.97 30.05 1mnm h ARG 31 CO -0.04 1.14 0.22 -0.09 0.00 0.00 0.00 179.97 181.21 1mnm h ARG 32 N 0.38 0.56 -0.32 0.04 2.43 -0.60 -2.20 114.38 114.68 1mnm h ARG 32 Ca -0.06 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 1mnm h ARG 32 Cb 1.45 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.87 1mnm h ARG 32 CO 0.16 0.46 -0.08 0.45 -1.51 0.00 0.00 179.97 179.44 1mnm h HIS 33 N 0.52 0.56 -0.28 2.20 3.86 -1.25 -0.77 115.15 119.99 1mnm h HIS 33 Ca 0.14 -0.08 -0.07 0.00 -1.16 0.00 0.00 60.37 59.20 1mnm h HIS 33 Cb 0.06 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 1mnm h HIS 33 CO -0.02 0.60 -0.11 0.28 0.86 0.00 0.00 177.93 179.54 1mnm h VAL 34 N 0.50 1.29 -0.73 2.45 2.07 -1.27 -2.04 116.25 118.51 1mnm h VAL 34 Ca 0.10 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1mnm h VAL 34 Cb 0.45 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1mnm h VAL 34 CO 0.02 0.37 0.43 0.74 0.02 0.00 0.00 177.57 179.16 1mnm h THR 35 N 0.32 1.21 -0.27 2.57 2.02 -1.21 -0.86 112.91 116.68 1mnm h THR 35 Ca 0.07 -0.48 0.01 0.00 0.77 0.00 0.00 66.41 66.77 1mnm h THR 35 Cb 0.61 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1mnm h THR 35 CO 0.04 0.22 0.17 0.15 0.37 0.00 0.00 175.52 176.47 1mnm h PHE 36 N 1.00 0.32 -0.30 3.16 3.57 -1.00 0.18 116.94 123.86 1mnm h PHE 36 Ca 0.26 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.65 1mnm h PHE 36 Cb -0.02 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1mnm h PHE 36 CO -0.01 0.19 -0.30 0.77 -2.23 0.00 0.00 178.31 176.73 1mnm h SER 37 N 0.34 0.65 0.09 0.41 0.02 -1.05 -1.26 113.55 112.77 1mnm h SER 37 Ca 0.10 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1mnm h SER 37 Cb -0.02 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.34 1mnm h SER 37 CO -0.04 0.92 -0.05 0.11 -1.14 0.00 0.00 176.83 176.63 1mnm h LYS 38 N 0.54 -0.12 0.00 3.45 1.57 -0.90 -2.40 116.57 118.71 1mnm h LYS 38 Ca 0.07 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1mnm h LYS 38 Cb 0.79 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1mnm h LYS 38 CO 0.06 0.32 -0.33 0.00 -0.57 0.00 0.00 179.45 178.93 1mnm h ARG 39 N -0.62 0.00 -0.13 3.15 3.08 -0.69 -1.05 114.38 118.11 1mnm h ARG 39 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1mnm h ARG 39 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 1mnm h ARG 39 CO 0.02 0.33 0.00 -0.22 -1.07 0.00 0.00 179.97 179.04 1mnm h LYS 40 N 0.00 0.23 -0.43 0.04 3.64 -1.26 -0.11 116.57 118.69 1mnm h LYS 40 Ca -0.00 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1mnm h LYS 40 Cb 0.64 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 1mnm h LYS 40 CO 0.04 0.46 0.25 1.25 -2.27 0.00 0.00 179.45 179.19 1mnm h HIS 41 N -0.02 0.48 -0.25 1.91 2.76 -1.09 -0.06 115.15 118.87 1mnm h HIS 41 Ca 0.04 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1mnm h HIS 41 Cb 0.35 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 1mnm h HIS 41 CO 0.03 0.28 0.16 0.78 -1.30 0.00 0.00 177.93 177.88 1mnm h GLY 42 N 0.51 0.35 1.54 5.26 0.00 -0.94 -1.63 103.07 108.17 1mnm h GLY 42 Ca 0.17 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.24 1mnm h GLY 42 CO -0.07 0.12 -0.42 1.19 0.00 0.00 0.00 176.54 177.36 1mnm h ILE 43 N 0.33 1.31 -0.79 2.60 2.10 -0.83 -1.18 117.51 121.05 1mnm h ILE 43 Ca 0.09 -1.59 -0.04 0.00 1.08 0.00 0.00 64.86 64.40 1mnm h ILE 43 Cb -0.03 1.60 -0.03 0.00 -1.09 0.00 0.00 36.82 37.27 1mnm h ILE 43 CO -0.03 0.50 0.32 0.24 -1.08 0.00 0.00 178.15 178.10 1mnm h MET 44 N 0.41 1.17 -0.37 2.19 2.86 -0.84 0.83 114.93 121.18 1mnm h MET 44 Ca 0.03 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.43 1mnm h MET 44 Cb 0.91 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 1mnm h MET 44 CO 0.08 0.95 0.10 -0.22 1.06 0.00 0.00 176.91 178.88 1mnm h LYS 45 N 1.14 0.59 -0.59 1.72 3.64 -1.04 -1.87 116.57 120.16 1mnm h LYS 45 Ca 0.26 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1mnm h LYS 45 Cb 0.21 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1mnm h LYS 45 CO -0.02 0.61 0.19 0.87 -2.27 0.00 0.00 179.45 178.83 1mnm h LYS 46 N 0.45 0.88 -0.32 1.90 6.56 -0.83 -0.51 116.57 124.71 1mnm h LYS 46 Ca 0.12 -0.16 -0.02 0.00 -1.06 0.00 0.00 60.65 59.53 1mnm h LYS 46 Cb 0.28 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 31.79 1mnm h LYS 46 CO -0.00 0.76 0.13 0.00 -2.06 0.00 0.00 179.45 178.27 1mnm h ALA 47 N 1.35 0.42 0.32 3.86 0.00 -0.60 -0.87 119.26 123.74 1mnm h ALA 47 Ca 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1mnm h ALA 47 Cb 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1mnm h ALA 47 CO -0.01 0.02 -0.15 0.35 0.00 0.00 0.00 179.25 179.46 1mnm h PHE 48 N 0.37 -0.39 -0.83 0.00 3.57 -0.93 -2.42 116.94 116.30 1mnm h PHE 48 Ca 0.11 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.67 1mnm h PHE 48 Cb 0.19 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.00 1mnm h PHE 48 CO -0.00 -0.20 0.50 0.93 -2.23 0.00 0.00 178.31 177.31 1mnm h GLU 49 N -0.49 0.87 -0.12 1.11 5.08 -1.02 -1.62 114.58 118.39 1mnm h GLU 49 Ca -0.04 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1mnm h GLU 49 Cb 0.37 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1mnm h GLU 49 CO 0.07 0.58 0.06 1.25 -1.00 0.00 0.00 179.01 179.97 1mnm h LEU 50 N 0.90 0.16 -0.99 1.33 5.85 -1.06 0.13 115.31 121.62 1mnm h LEU 50 Ca 0.37 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 59.04 1mnm h LEU 50 Cb 0.22 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 1mnm h LEU 50 CO -0.19 0.21 0.64 0.77 -0.34 0.00 0.00 178.44 179.53 1mnm h SER 51 N 0.09 1.06 0.54 1.25 4.64 -0.96 -1.30 113.55 118.87 1mnm h SER 51 Ca 0.04 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 1mnm h SER 51 Cb 0.09 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1mnm h SER 51 CO -0.01 0.71 -0.26 0.58 -0.87 0.00 0.00 176.83 176.98 1mnm h VAL 52 N 1.22 0.00 -0.84 0.95 2.07 -1.02 0.43 116.25 119.06 1mnm h VAL 52 Ca 0.41 -0.47 0.12 0.00 0.82 0.00 0.00 66.70 67.58 1mnm h VAL 52 Cb 0.06 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.77 1mnm h VAL 52 CO -0.14 0.00 0.54 -0.07 0.02 0.00 0.00 177.57 177.92 1mnm h LEU 53 N -1.19 0.64 -1.85 2.57 3.38 -0.93 -2.83 115.31 115.09 1mnm h LEU 53 Ca -0.07 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1mnm h LEU 53 Cb 0.56 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1mnm h LEU 53 CO 0.12 0.36 0.00 0.35 0.09 0.00 0.00 178.44 179.36 1mnm n THR 54 N -4.53 0.27 -3.88 0.22 -2.24 -0.49 -5.01 114.28 98.62 1mnm n THR 54 Ca 0.15 -0.64 -0.30 0.00 -2.27 0.00 0.00 64.05 61.00 1mnm n THR 54 Cb 0.40 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 1mnm n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mnm n GLY 55 N 0.67 -0.55 3.44 3.38 0.00 0.15 -4.98 105.19 107.29 1mnm n GLY 55 Ca 0.09 0.27 -0.22 0.00 0.00 0.00 0.00 46.02 46.16 1mnm n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mnm s THR 56 N -3.76 1.98 -0.04 2.61 -4.23 -0.94 -5.04 115.64 106.23 1mnm s THR 56 Ca 0.21 -2.23 -0.24 0.00 -1.18 0.00 0.00 61.69 58.25 1mnm s THR 56 Cb -0.09 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 1mnm s THR 56 CO 0.89 -0.39 0.72 -1.10 -0.54 0.00 0.00 174.62 174.21 1mnm s GLN 57 N -3.63 4.45 0.01 3.99 -1.52 -1.26 -4.55 119.66 117.15 1mnm s GLN 57 Ca 0.28 0.94 0.02 0.00 -1.95 0.00 0.00 55.36 54.65 1mnm s GLN 57 Cb 0.00 -3.43 -0.01 0.00 -0.22 0.00 0.00 33.01 29.35 1mnm s GLN 57 CO 0.12 0.11 -0.07 0.08 -0.25 0.00 0.00 175.29 175.28 1mnm s VAL 58 N 0.61 0.53 -0.04 1.09 1.01 -1.26 -5.03 120.40 117.31 1mnm s VAL 58 Ca 0.38 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 1mnm s VAL 58 Cb -0.18 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 35.74 1mnm s VAL 58 CO 0.20 -0.01 0.06 -0.22 0.00 0.00 0.00 175.10 175.13 1mnm s LEU 59 N -0.58 0.33 -0.11 3.92 2.96 -1.26 -1.83 118.68 122.11 1mnm s LEU 59 Ca -0.01 0.10 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 1mnm s LEU 59 Cb -0.05 -0.08 0.02 0.00 0.50 0.00 0.00 46.19 46.58 1mnm s LEU 59 CO 0.00 -0.22 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.47 1mnm s LEU 60 N 1.93 1.52 -0.12 -0.68 2.96 -0.57 -4.99 118.68 118.73 1mnm s LEU 60 Ca 0.02 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 1mnm s LEU 60 Cb -0.12 -0.96 -0.00 0.00 0.50 0.00 0.00 46.19 45.61 1mnm s LEU 60 CO -0.03 -0.03 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.01 1mnm s LEU 61 N 1.22 2.33 -0.20 -0.68 1.43 -1.26 -1.77 118.68 119.75 1mnm s LEU 61 Ca -0.03 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1mnm s LEU 61 Cb -0.14 -1.50 0.06 0.00 0.03 0.00 0.00 46.19 44.64 1mnm s LEU 61 CO -0.04 0.14 0.02 -0.69 0.23 0.00 0.00 176.35 176.02 1mnm s VAL 62 N 0.48 0.66 -0.40 -1.59 1.01 -0.00 -5.00 120.40 115.56 1mnm s VAL 62 Ca -0.13 -0.66 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 1mnm s VAL 62 Cb -0.17 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.08 1mnm s VAL 62 CO 0.05 -0.21 0.37 -0.69 0.00 0.00 0.00 175.10 174.63 1mnm s VAL 63 N 1.79 5.16 1.05 2.92 1.01 -1.26 -1.17 120.40 129.90 1mnm s VAL 63 Ca -0.01 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 1mnm s VAL 63 Cb -0.17 -3.96 0.22 0.00 0.00 0.00 0.00 36.38 32.46 1mnm s VAL 63 CO -0.08 -0.33 1.07 -0.94 0.00 0.00 0.00 175.10 174.82 1mnm s SER 64 N 1.75 1.93 0.44 3.32 1.04 -0.53 -4.89 113.70 116.76 1mnm s SER 64 Ca 0.09 1.63 0.19 0.00 0.48 0.00 0.00 55.95 58.34 1mnm s SER 64 Cb -0.18 -2.30 1.03 0.00 0.10 0.00 0.00 66.02 64.67 1mnm s SER 64 CO 0.12 -3.63 1.93 -0.33 0.98 0.00 0.00 173.24 172.31 1mnm h GLU 65 N -2.23 0.00 -0.01 4.02 5.08 -1.98 -1.99 114.58 117.47 1mnm h GLU 65 Ca -0.55 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1mnm h GLU 65 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1mnm h GLU 65 CO 0.50 0.24 0.00 0.25 -1.00 0.00 0.00 179.01 179.00 1mnm n THR 66 N -3.91 0.01 -0.38 1.13 -2.24 -1.26 -4.91 114.28 102.73 1mnm n THR 66 Ca -0.02 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1mnm n THR 66 Cb 0.33 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1mnm n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mnm n GLY 67 N 0.93 0.80 3.78 3.38 0.00 -0.75 -5.06 105.19 108.26 1mnm n GLY 67 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1mnm n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mnm s LEU 68 N 0.00 4.35 -0.39 0.99 1.02 -1.26 -4.84 118.68 118.55 1mnm s LEU 68 Ca 0.00 1.93 -0.09 0.00 0.02 0.00 0.00 54.13 55.98 1mnm s LEU 68 Cb 0.00 -3.98 0.05 0.00 0.02 0.00 0.00 46.19 42.28 1mnm s LEU 68 CO 0.00 -0.14 0.21 -0.69 0.02 0.00 0.00 176.35 175.75 1mnm s VAL 69 N -1.55 4.27 -0.04 -1.59 1.01 -1.26 -1.46 120.40 119.79 1mnm s VAL 69 Ca 0.50 -1.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.18 1mnm s VAL 69 Cb -0.21 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1mnm s VAL 69 CO 0.27 -0.34 0.43 -0.31 0.00 0.00 0.00 175.10 175.15 1mnm s TYR 70 N 1.47 3.65 0.05 5.22 1.51 -0.32 -4.94 117.35 123.99 1mnm s TYR 70 Ca 0.02 0.95 0.02 0.00 -1.01 0.00 0.00 57.07 57.04 1mnm s TYR 70 Cb -0.21 -2.38 -0.03 0.00 -0.11 0.00 0.00 41.96 39.23 1mnm s TYR 70 CO 0.04 0.47 -0.07 0.99 -1.11 0.00 0.00 175.55 175.88 1mnm s THR 71 N -0.47 0.46 -0.07 -0.71 2.01 -1.26 -0.82 115.64 114.78 1mnm s THR 71 Ca 0.24 -1.18 0.02 0.00 0.31 0.00 0.00 61.69 61.07 1mnm s THR 71 Cb -0.16 -0.71 0.02 0.00 0.01 0.00 0.00 72.50 71.65 1mnm s THR 71 CO 0.12 -0.49 -0.10 0.12 -0.69 0.00 0.00 174.62 173.58 1mnm s PHE 72 N -1.78 1.34 -0.03 4.92 5.36 -0.73 -4.99 117.98 122.07 1mnm s PHE 72 Ca -0.08 -0.52 -0.01 0.00 -0.96 0.00 0.00 56.93 55.37 1mnm s PHE 72 Cb -0.07 -1.03 0.02 0.00 -0.34 0.00 0.00 43.02 41.60 1mnm s PHE 72 CO -0.01 -0.31 0.05 0.45 -1.46 0.00 0.00 175.22 173.95 1mnm s SER 73 N 0.90 -0.01 0.48 6.13 0.15 -1.26 -1.51 113.70 118.59 1mnm s SER 73 Ca -0.10 0.10 -0.10 0.00 0.70 0.00 0.00 55.95 56.54 1mnm s SER 73 Cb -0.15 0.03 -0.06 0.00 -1.71 0.00 0.00 66.02 64.14 1mnm s SER 73 CO 0.01 -0.09 0.86 0.42 1.20 0.00 0.00 173.24 175.64 1mnm s THR 74 N 0.67 4.75 0.04 6.45 -4.23 -0.76 -4.85 115.64 117.72 1mnm s THR 74 Ca -0.05 0.68 -0.09 0.00 -1.18 0.00 0.00 61.69 61.05 1mnm s THR 74 Cb -0.08 -3.79 -0.02 0.00 1.34 0.00 0.00 72.50 69.96 1mnm s THR 74 CO -0.02 -0.74 0.57 -2.65 -0.54 0.00 0.00 174.62 171.24 1mnm n PRO 75 N -1.83 -0.12 0.25 3.99 -0.02 -1.26 -1.08 135.00 134.93 1mnm n PRO 75 Ca 0.03 0.56 0.17 0.00 -2.02 0.00 0.00 63.50 62.25 1mnm n PRO 75 Cb 0.54 -0.83 0.86 0.00 -0.02 0.00 0.00 33.50 34.05 1mnm n PRO 75 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1mnm h LYS 76 N 0.00 0.00 -0.00 -0.52 1.57 -1.97 -2.37 116.57 113.28 1mnm h LYS 76 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1mnm h LYS 76 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1mnm h LYS 76 CO -0.26 0.00 -0.72 1.19 -0.57 0.00 0.00 179.45 179.09 1mnm n PHE 77 N -2.74 0.00 -0.34 -1.35 3.72 -0.24 -4.51 117.46 112.00 1mnm n PHE 77 Ca -0.01 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.52 1mnm n PHE 77 Cb 0.12 -0.05 0.32 0.00 -0.94 0.00 0.00 39.48 38.93 1mnm n PHE 77 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1mnm h GLU 78 N 0.78 0.67 -0.02 -1.08 5.08 -1.28 -1.22 114.58 117.50 1mnm h GLU 78 Ca 0.00 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1mnm h GLU 78 Cb 0.57 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1mnm h GLU 78 CO 0.00 0.44 0.05 -1.35 -1.00 0.00 0.00 179.01 177.15 1mnm h PRO 79 N 0.69 0.00 -0.39 2.33 0.11 -1.81 0.37 132.00 133.30 1mnm h PRO 79 Ca 0.57 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.66 1mnm h PRO 79 Cb 0.93 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 1mnm h PRO 79 CO -0.41 0.00 0.14 0.82 -0.21 0.00 0.00 178.00 178.34 1mnm h ILE 80 N 0.00 1.20 0.00 4.15 1.08 -1.53 -2.56 117.51 119.86 1mnm h ILE 80 Ca 0.01 -0.65 -0.10 0.00 -0.39 0.00 0.00 64.86 63.73 1mnm h ILE 80 Cb 0.11 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 1mnm h ILE 80 CO -0.00 0.23 -1.94 1.33 -0.69 0.00 0.00 178.15 177.08 1mnm n VAL 81 N -4.63 0.48 0.65 1.67 0.24 -0.76 -2.75 118.33 113.22 1mnm n VAL 81 Ca -0.00 -0.60 0.11 0.00 -2.04 0.00 0.00 64.34 61.81 1mnm n VAL 81 Cb 0.16 -0.20 0.07 0.00 -1.47 0.00 0.00 33.84 32.40 1mnm n VAL 81 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1mnm n THR 82 N -2.47 0.17 -4.43 3.34 -2.24 0.12 -4.85 114.28 103.92 1mnm n THR 82 Ca -0.11 -0.20 -0.22 0.00 -2.27 0.00 0.00 64.05 61.25 1mnm n THR 82 Cb 0.72 0.20 -0.10 0.00 -2.10 0.00 0.00 70.33 69.05 1mnm n THR 82 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1mnm s GLN 83 N -3.16 1.57 0.34 -0.78 -0.21 -0.96 -5.00 119.66 111.46 1mnm s GLN 83 Ca 0.05 -1.73 0.04 0.00 0.02 0.00 0.00 55.36 53.75 1mnm s GLN 83 Cb 0.15 -1.52 0.63 0.00 1.00 0.00 0.00 33.01 33.27 1mnm s GLN 83 CO 0.78 0.25 1.90 1.96 -2.12 0.00 0.00 175.29 178.06 1mnm h GLN 84 N 2.34 0.56 -0.18 2.91 1.08 -1.91 -2.37 115.11 117.54 1mnm h GLN 84 Ca -0.40 -0.10 0.03 0.00 -1.45 0.00 0.00 58.65 56.74 1mnm h GLN 84 Cb 1.24 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 28.55 1mnm h GLN 84 CO 0.62 0.54 -0.03 1.49 -0.95 0.00 0.00 178.83 180.50 1mnm h GLU 85 N 0.54 0.02 -0.21 1.46 4.81 -1.92 -1.97 114.58 117.31 1mnm h GLU 85 Ca 0.12 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.24 1mnm h GLU 85 Cb 0.26 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1mnm h GLU 85 CO 0.00 0.01 -0.31 0.78 -0.73 0.00 0.00 179.01 178.77 1mnm h GLY 86 N 0.02 0.63 1.01 1.92 0.00 -1.70 -3.24 103.07 101.71 1mnm h GLY 86 Ca 0.09 -0.70 0.03 0.00 0.00 0.00 0.00 47.33 46.74 1mnm h GLY 86 CO -0.17 0.63 0.60 3.21 0.00 0.00 0.00 176.54 180.81 1mnm h ARG 87 N 0.26 1.13 -0.24 4.80 3.08 -1.23 -2.04 114.38 120.14 1mnm h ARG 87 Ca 0.02 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 1mnm h ARG 87 Cb 0.89 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1mnm h ARG 87 CO 0.07 0.75 -0.36 -0.91 -1.07 0.00 0.00 179.97 178.45 1mnm h ASN 88 N 1.16 0.55 -0.72 7.04 -0.26 -1.44 -1.69 115.58 120.23 1mnm h ASN 88 Ca 0.36 -0.23 -0.06 0.00 -0.56 0.00 0.00 56.30 55.81 1mnm h ASN 88 Cb -0.02 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.06 1mnm h ASN 88 CO -0.10 0.86 0.22 0.25 -1.06 0.00 0.00 177.43 177.60 1mnm h LEU 89 N 0.44 1.05 -0.03 1.61 5.85 -1.46 -0.51 115.31 122.27 1mnm h LEU 89 Ca 0.05 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1mnm h LEU 89 Cb 0.83 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 1mnm h LEU 89 CO 0.07 0.99 -0.02 0.40 -0.34 0.00 0.00 178.44 179.54 1mnm h ILE 90 N 1.07 1.33 -0.05 4.05 2.04 -1.22 -1.31 117.51 123.41 1mnm h ILE 90 Ca 0.23 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 1mnm h ILE 90 Cb 0.31 1.96 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1mnm h ILE 90 CO -0.01 0.27 -0.02 1.56 0.00 0.00 0.00 178.15 179.95 1mnm h GLN 91 N -0.34 0.07 -0.09 2.37 4.20 -1.19 -1.97 115.11 118.16 1mnm h GLN 91 Ca 0.01 -0.01 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 1mnm h GLN 91 Cb 0.45 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.23 1mnm h GLN 91 CO 0.00 0.10 -0.79 0.00 -0.67 0.00 0.00 178.83 177.48 1mnm h ALA 92 N 1.91 0.21 -0.68 3.87 0.00 -1.00 -3.22 119.26 120.36 1mnm h ALA 92 Ca 0.02 -0.61 0.01 0.00 0.00 0.00 0.00 54.91 54.33 1mnm h ALA 92 Cb 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1mnm h ALA 92 CO 0.00 0.60 0.45 0.00 0.00 0.00 0.00 179.25 180.30 1mnm n LEU 94 N -4.44 4.04 -3.66 0.00 4.77 -0.91 -4.67 117.00 112.14 1mnm n LEU 94 Ca 0.07 -1.89 -0.12 0.00 -0.03 0.00 0.00 56.01 54.04 1mnm n LEU 94 Cb 0.05 -0.79 -0.12 0.00 -2.33 0.00 0.00 43.42 40.23 1mnm n LEU 94 CO 0.36 0.73 -0.10 0.20 -1.33 0.00 0.00 177.39 177.25 1mnm s ASN 95 N 1.51 0.22 0.00 -1.43 0.02 -1.16 -5.07 114.94 109.03 1mnm s ASN 95 Ca 0.00 0.67 0.00 0.00 -1.02 0.00 0.00 52.86 52.51 1mnm s ASN 95 Cb 0.00 0.86 0.00 0.00 0.02 0.00 0.00 41.25 42.13 1mnm s ASN 95 CO 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 177.10 176.88 1mnm n ALA 96 N 5.36 0.00 -1.76 0.60 0.00 -1.26 -5.05 120.51 118.40 1mnm n ALA 96 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.00 1mnm n ALA 96 Cb 0.50 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.96 1mnm n ALA 96 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1mnm s PRO 97 N -0.96 3.46 0.00 0.00 0.04 -1.26 -5.26 135.00 131.01 1mnm s PRO 97 Ca 0.00 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1mnm s PRO 97 Cb 0.00 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1mnm s PRO 97 CO 0.00 -0.86 0.00 -0.40 0.04 0.00 0.00 177.00 175.78