#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh1 s ASN 9 N 0.00 -0.42 -0.11 0.55 3.84 -1.26 -5.15 114.94 112.38 2wh1 s ASN 9 Ca 0.00 0.20 0.03 0.00 0.21 0.00 0.00 52.86 53.30 2wh1 s ASN 9 Cb 0.00 0.40 0.01 0.00 -0.55 0.00 0.00 41.25 41.11 2wh1 s ASN 9 CO 0.00 -0.58 -0.21 -0.22 -2.79 0.00 0.00 177.10 173.30 2wh1 s LEU 10 N -1.97 2.02 0.00 3.21 2.96 -1.26 -5.01 118.68 118.63 2wh1 s LEU 10 Ca 0.01 -0.54 0.00 0.00 -0.22 0.00 0.00 54.13 53.38 2wh1 s LEU 10 Cb -0.01 -1.34 0.00 0.00 0.50 0.00 0.00 46.19 45.34 2wh1 s LEU 10 CO -0.04 0.10 0.48 -1.20 -1.32 0.00 0.00 176.35 174.37 2wh1 n SER 11 N 3.83 0.00 0.19 3.68 7.64 -1.26 -2.01 113.62 125.69 2wh1 n SER 11 Ca -0.20 0.01 0.13 0.00 1.01 0.00 0.00 58.87 59.82 2wh1 n SER 11 Cb 0.52 -0.01 0.64 0.00 -1.01 0.00 0.00 64.21 64.36 2wh1 n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wh1 h ALA 12 N 1.90 1.00 -0.02 -0.43 0.00 -2.05 -0.86 119.26 118.80 2wh1 h ALA 12 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2wh1 h ALA 12 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wh1 h ALA 12 CO 0.00 0.00 0.08 1.37 0.00 0.00 0.00 179.25 180.70 2wh1 h LEU 13 N 0.00 0.00 -0.92 0.00 8.10 -1.85 -1.45 115.31 119.19 2wh1 h LEU 13 Ca 0.00 0.00 0.23 0.00 0.11 0.00 0.00 57.88 58.22 2wh1 h LEU 13 Cb 0.18 0.00 -0.13 0.00 -0.44 0.00 0.00 40.66 40.27 2wh1 h LEU 13 CO 0.00 0.00 0.42 0.50 -4.11 0.00 0.00 178.44 175.25 2wh1 h LYS 14 N 0.00 0.39 -0.81 0.17 3.64 -1.43 0.50 116.57 119.03 2wh1 h LYS 14 Ca 0.01 -0.02 0.23 0.00 -1.27 0.00 0.00 60.65 59.60 2wh1 h LYS 14 Cb 0.17 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 2wh1 h LYS 14 CO -0.00 0.26 0.58 0.00 -2.27 0.00 0.00 179.45 178.02 2wh1 h ARG 15 N 0.40 0.06 0.38 1.90 2.47 -1.50 -1.80 114.38 116.28 2wh1 h ARG 15 Ca 0.58 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.28 2wh1 h ARG 15 Cb 1.13 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 2wh1 h ARG 15 CO -0.54 0.04 -0.18 1.25 0.56 0.00 0.00 179.97 181.10 2wh1 h HIS 16 N 0.06 -0.47 -1.00 3.04 2.76 -0.18 0.26 115.15 119.61 2wh1 h HIS 16 Ca 0.39 -0.01 0.20 0.00 -2.20 0.00 0.00 60.37 58.75 2wh1 h HIS 16 Cb 1.48 0.16 -0.11 0.00 1.55 0.00 0.00 27.41 30.48 2wh1 h HIS 16 CO -0.00 -0.15 0.60 0.00 -1.30 0.00 0.00 177.93 177.08 2wh1 h ARG 17 N -0.95 0.70 -0.11 5.26 3.08 -1.35 0.21 114.38 121.22 2wh1 h ARG 17 Ca -0.05 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 2wh1 h ARG 17 Cb 0.54 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 2wh1 h ARG 17 CO 0.09 0.46 -0.06 1.96 -1.07 0.00 0.00 179.97 181.35 2wh1 h GLN 18 N 0.72 0.24 -0.96 0.04 4.20 -1.31 -2.91 115.11 115.12 2wh1 h GLN 18 Ca 0.59 -0.11 0.18 0.00 0.06 0.00 0.00 58.65 59.38 2wh1 h GLN 18 Cb 0.96 -0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.63 2wh1 h GLN 18 CO -0.40 0.59 0.56 1.03 -0.67 0.00 0.00 178.83 179.94 2wh1 h SER 19 N -0.13 0.70 0.03 1.46 0.87 0.25 -1.76 113.55 114.96 2wh1 h SER 19 Ca 0.02 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2wh1 h SER 19 Cb 0.53 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2wh1 h SER 19 CO 0.02 0.24 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.47 2wh1 h LEU 20 N 0.70 -0.04 -0.59 2.23 3.38 -0.76 0.93 115.31 121.16 2wh1 h LEU 20 Ca 0.56 -0.31 0.10 0.00 0.09 0.00 0.00 57.88 58.31 2wh1 h LEU 20 Cb 0.87 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.55 2wh1 h LEU 20 CO -0.39 0.30 0.19 0.11 0.09 0.00 0.00 178.44 178.74 2wh1 h LYS 21 N -0.37 0.34 0.77 1.13 1.57 -1.21 -1.85 116.57 116.95 2wh1 h LYS 21 Ca -0.00 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2wh1 h LYS 21 Cb 0.35 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.59 2wh1 h LYS 21 CO 0.01 0.23 -0.37 0.00 -0.57 0.00 0.00 179.45 178.74 2wh1 h ARG 22 N 0.35 -1.00 -0.62 3.15 3.08 -1.28 -2.13 114.38 115.94 2wh1 h ARG 22 Ca 0.30 0.07 0.19 0.00 0.07 0.00 0.00 59.98 60.61 2wh1 h ARG 22 Cb 0.40 0.23 -0.11 0.00 0.08 0.00 0.00 29.97 30.56 2wh1 h ARG 22 CO -0.33 -0.65 0.07 -2.13 -1.07 0.00 0.00 179.97 175.87 2wh1 n ARG 23 N -5.50 -0.05 0.04 0.04 0.63 0.31 -0.77 116.66 111.36 2wh1 n ARG 23 Ca -0.14 0.92 -0.02 0.00 -0.92 0.00 0.00 57.85 57.69 2wh1 n ARG 23 Cb 0.42 -1.49 -0.01 0.00 0.45 0.00 0.00 32.46 31.83 2wh1 n ARG 23 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2wh1 h LEU 24 N 0.00 -0.09 -0.19 6.15 7.12 -1.19 -2.63 115.31 124.48 2wh1 h LEU 24 Ca 0.41 0.00 0.03 0.00 0.13 0.00 0.00 57.88 58.45 2wh1 h LEU 24 Cb 0.89 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 41.02 2wh1 h LEU 24 CO -0.56 -0.01 -0.07 -1.14 -0.13 0.00 0.00 178.44 176.53 2wh1 n ARG 25 N -2.59 -0.04 0.00 1.25 0.63 0.05 0.60 116.66 116.57 2wh1 n ARG 25 Ca -0.01 0.29 -0.02 0.00 -0.92 0.00 0.00 57.85 57.18 2wh1 n ARG 25 Cb 0.04 -0.43 -0.11 0.00 0.45 0.00 0.00 32.46 32.42 2wh1 n ARG 25 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2wh1 n ASN 26 N -4.28 0.72 0.25 6.15 2.04 -1.10 -3.51 115.26 115.53 2wh1 n ASN 26 Ca 0.02 0.32 0.16 0.00 -0.44 0.00 0.00 54.58 54.65 2wh1 n ASN 26 Cb 0.08 0.31 0.63 0.00 -2.53 0.00 0.00 39.78 38.27 2wh1 n ASN 26 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 2wh1 h LYS 27 N 0.00 0.00 0.03 -3.83 3.11 0.56 0.76 116.57 117.20 2wh1 h LYS 27 Ca -0.22 0.00 -0.26 0.00 -2.81 0.00 0.00 60.65 57.36 2wh1 h LYS 27 Cb 1.72 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.92 2wh1 h LYS 27 CO 0.05 0.00 -1.36 0.00 -2.81 0.00 0.00 179.45 175.33 2wh1 h ALA 28 N 2.06 0.47 0.00 5.00 0.00 -0.85 -3.14 119.26 122.80 2wh1 h ALA 28 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.77 2wh1 h ALA 28 Cb 0.50 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2wh1 h ALA 28 CO 0.00 1.34 -1.22 0.36 0.00 0.00 0.00 179.25 179.73 2wh1 n LYS 29 N -3.27 0.48 -0.18 0.00 2.85 -0.96 -3.30 118.16 113.79 2wh1 n LYS 29 Ca -0.10 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.06 2wh1 n LYS 29 Cb 1.00 -1.67 0.01 0.00 -0.65 0.00 0.00 35.03 33.72 2wh1 n LYS 29 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2wh1 h LYS 30 N 0.00 1.03 0.04 -1.58 3.11 0.46 -2.65 116.57 116.97 2wh1 h LYS 30 Ca 0.00 -0.41 -0.22 0.00 -2.81 0.00 0.00 60.65 57.21 2wh1 h LYS 30 Cb 0.89 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 32.06 2wh1 h LYS 30 CO 0.00 1.10 -1.00 0.66 -2.81 0.00 0.00 179.45 177.40 2wh1 h SER 31 N 0.90 0.31 0.20 4.20 4.64 -1.66 -3.12 113.55 119.01 2wh1 h SER 31 Ca 0.13 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 2wh1 h SER 31 Cb 0.74 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2wh1 h SER 31 CO 0.06 1.13 -0.06 0.00 -0.87 0.00 0.00 176.83 177.09 2wh1 h ALA 32 N 0.84 1.37 -0.13 5.18 0.00 -1.51 -0.15 119.26 124.86 2wh1 h ALA 32 Ca -0.07 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 2wh1 h ALA 32 Cb 1.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2wh1 h ALA 32 CO 0.16 0.07 -0.71 0.82 0.00 0.00 0.00 179.25 179.59 2wh1 h ILE 33 N 0.00 1.33 0.00 0.00 1.08 -1.41 -3.13 117.51 115.38 2wh1 h ILE 33 Ca -0.00 -2.01 0.00 0.00 -0.39 0.00 0.00 64.86 62.46 2wh1 h ILE 33 Cb 0.17 1.99 0.00 0.00 -3.07 0.00 0.00 36.82 35.91 2wh1 h ILE 33 CO 0.01 0.62 0.00 0.29 -0.69 0.00 0.00 178.15 178.38 2wh1 n LYS 34 N -3.90 0.00 -0.07 2.37 5.02 -0.12 -0.79 118.16 120.68 2wh1 n LYS 34 Ca -0.05 0.15 0.23 0.00 -2.02 0.00 0.00 58.31 56.61 2wh1 n LYS 34 Cb 0.70 -0.99 0.44 0.00 -0.02 0.00 0.00 35.03 35.17 2wh1 n LYS 34 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2wh1 h THR 35 N 0.00 0.06 0.00 -0.18 1.35 -1.58 0.38 112.91 112.93 2wh1 h THR 35 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.82 2wh1 h THR 35 Cb 0.00 0.13 -0.01 0.00 -1.73 0.00 0.00 68.15 66.55 2wh1 h THR 35 CO 0.00 0.00 -0.31 0.25 -0.25 0.00 0.00 175.52 175.21 2wh1 h LEU 36 N 0.00 0.00 -1.02 3.87 7.12 -1.58 -2.45 115.31 121.25 2wh1 h LEU 36 Ca 0.36 -0.32 0.21 0.00 0.13 0.00 0.00 57.88 58.26 2wh1 h LEU 36 Cb 2.42 0.00 -0.11 0.00 -0.53 0.00 0.00 40.66 42.43 2wh1 h LEU 36 CO -0.00 0.83 0.61 0.28 -0.13 0.00 0.00 178.44 180.02 2wh1 h SER 37 N -1.00 0.74 -0.26 1.25 0.02 0.17 0.15 113.55 114.62 2wh1 h SER 37 Ca -0.05 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2wh1 h SER 37 Cb 0.56 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2wh1 h SER 37 CO -0.03 0.21 0.05 0.11 -1.14 0.00 0.00 176.83 176.03 2wh1 h LYS 38 N 0.69 0.42 -0.88 3.45 1.57 -0.85 -1.96 116.57 119.00 2wh1 h LYS 38 Ca 0.60 -0.11 0.17 0.00 -1.87 0.00 0.00 60.65 59.45 2wh1 h LYS 38 Cb 1.03 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.22 2wh1 h LYS 38 CO -0.41 0.53 0.57 -0.22 -0.57 0.00 0.00 179.45 179.35 2wh1 h LYS 39 N 0.24 0.51 0.22 3.15 3.64 -0.24 -1.15 116.57 122.94 2wh1 h LYS 39 Ca 0.08 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2wh1 h LYS 39 Cb 0.30 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2wh1 h LYS 39 CO 0.00 0.34 -0.11 0.00 -2.27 0.00 0.00 179.45 177.42 2wh1 h ALA 40 N 1.61 -0.37 0.00 5.00 0.00 -0.99 -3.19 119.26 121.32 2wh1 h ALA 40 Ca 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2wh1 h ALA 40 Cb 0.95 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2wh1 h ALA 40 CO -0.19 -0.35 0.29 0.44 0.00 0.00 0.00 179.25 179.43 2wh1 n ILE 41 N -4.23 0.74 0.14 0.00 -5.35 -0.77 0.11 119.36 110.00 2wh1 n ILE 41 Ca -0.04 0.68 -0.06 0.00 -0.27 0.00 0.00 62.75 63.06 2wh1 n ILE 41 Cb 0.12 -1.68 -0.03 0.00 -1.74 0.00 0.00 39.64 36.31 2wh1 n ILE 41 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 2wh1 h GLN 42 N 0.00 -0.40 -0.17 6.28 5.75 -1.21 -3.12 115.11 122.24 2wh1 h GLN 42 Ca 0.00 0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.43 2wh1 h GLN 42 Cb 0.57 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.20 2wh1 h GLN 42 CO 0.00 -0.27 -0.32 -0.07 -2.65 0.00 0.00 178.83 175.53 2wh1 h LEU 43 N -0.96 0.35 -0.63 -2.39 3.38 -0.89 0.65 115.31 114.82 2wh1 h LEU 43 Ca -0.04 -0.13 0.13 0.00 0.09 0.00 0.00 57.88 57.93 2wh1 h LEU 43 Cb 0.32 -0.10 -0.11 0.00 0.09 0.00 0.00 40.66 40.86 2wh1 h LEU 43 CO 0.07 0.66 -0.04 0.00 0.09 0.00 0.00 178.44 179.22 2wh1 h ALA 44 N 1.37 0.56 0.06 1.53 0.00 -0.43 -0.94 119.26 121.40 2wh1 h ALA 44 Ca 0.04 0.21 -0.30 0.00 0.00 0.00 0.00 54.91 54.86 2wh1 h ALA 44 Cb 0.71 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2wh1 h ALA 44 CO 0.05 -0.41 -1.63 0.37 0.00 0.00 0.00 179.25 177.64 2wh1 h GLN 45 N 0.08 0.12 -1.50 0.00 -0.00 -1.44 -2.14 115.11 110.23 2wh1 h GLN 45 Ca 0.32 -0.20 0.00 0.00 -0.00 0.00 0.00 58.65 58.77 2wh1 h GLN 45 Cb 0.52 0.07 0.00 0.00 0.00 0.00 0.00 27.48 28.07 2wh1 h GLN 45 CO -0.57 0.85 0.00 -1.91 0.00 0.00 0.00 178.83 177.20 2wh1 n GLU 46 N -3.27 0.42 -2.95 1.69 2.13 0.22 -4.83 120.64 114.04 2wh1 n GLU 46 Ca -0.17 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.63 2wh1 n GLU 46 Cb 1.04 -1.29 -0.01 0.00 0.27 0.00 0.00 31.44 31.45 2wh1 n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wh1 n GLY 47 N 0.75 -1.55 0.00 8.31 0.00 -0.99 -4.86 105.19 106.85 2wh1 n GLY 47 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 2wh1 n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wh1 n LYS 48 N 2.14 0.00 0.00 1.61 4.76 -1.23 -5.01 118.16 120.43 2wh1 n LYS 48 Ca -0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 2wh1 n LYS 48 Cb 0.22 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.41 2wh1 n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wh1 n ALA 49 N -3.00 0.00 0.04 7.82 0.00 -1.26 -4.97 120.51 119.14 2wh1 n ALA 49 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2wh1 n ALA 49 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2wh1 n ALA 49 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2wh1 h GLU 50 N 0.00 -0.10 -1.01 0.00 4.11 -1.95 -2.49 114.58 113.14 2wh1 h GLU 50 Ca 0.00 0.01 0.27 0.00 0.07 0.00 0.00 59.36 59.71 2wh1 h GLU 50 Cb 0.00 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 2wh1 h GLU 50 CO 0.00 -0.07 0.69 1.05 0.07 0.00 0.00 179.01 180.76 2wh1 h GLU 51 N -0.14 0.17 -0.72 1.06 4.11 -1.96 2.34 114.58 119.44 2wh1 h GLU 51 Ca -0.01 -0.01 0.07 0.00 0.07 0.00 0.00 59.36 59.48 2wh1 h GLU 51 Cb 0.08 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 2wh1 h GLU 51 CO 0.02 0.11 0.40 0.00 0.07 0.00 0.00 179.01 179.61 2wh1 h ALA 52 N 1.55 0.98 0.00 1.06 0.00 -1.88 -2.74 119.26 118.22 2wh1 h ALA 52 Ca 0.51 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.33 2wh1 h ALA 52 Cb 1.70 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 2wh1 h ALA 52 CO -0.11 0.07 -0.70 -0.07 0.00 0.00 0.00 179.25 178.44 2wh1 h LEU 53 N 0.72 0.00 -0.67 0.00 3.38 0.34 -3.20 115.31 115.89 2wh1 h LEU 53 Ca 0.33 -0.56 0.25 0.00 0.09 0.00 0.00 57.88 57.98 2wh1 h LEU 53 Cb 0.24 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.87 2wh1 h LEU 53 CO -0.20 1.18 0.24 1.17 0.09 0.00 0.00 178.44 180.92 2wh1 n LYS 54 N -4.53 -0.04 -0.02 1.13 4.81 0.64 0.25 118.16 120.40 2wh1 n LYS 54 Ca -0.20 0.95 -0.16 0.00 -0.87 0.00 0.00 58.31 58.02 2wh1 n LYS 54 Cb 0.52 -1.63 -0.13 0.00 0.02 0.00 0.00 35.03 33.82 2wh1 n LYS 54 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2wh1 h ILE 55 N 0.00 1.61 -0.98 3.15 1.08 -1.65 -2.88 117.51 117.83 2wh1 h ILE 55 Ca 0.51 -2.20 0.17 0.00 -0.39 0.00 0.00 64.86 62.95 2wh1 h ILE 55 Cb 1.27 3.04 -0.10 0.00 -3.07 0.00 0.00 36.82 37.96 2wh1 h ILE 55 CO -0.55 0.60 0.58 -0.03 -0.69 0.00 0.00 178.15 178.06 2wh1 h MET 56 N -0.60 0.75 -0.08 2.37 4.05 0.34 0.91 114.93 122.67 2wh1 h MET 56 Ca -0.05 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.32 2wh1 h MET 56 Cb 1.16 -0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 31.79 2wh1 h MET 56 CO 0.06 0.50 0.04 -0.09 0.23 0.00 0.00 176.91 177.65 2wh1 h ARG 57 N 0.77 0.12 0.00 0.39 2.43 0.49 0.15 114.38 118.74 2wh1 h ARG 57 Ca 0.55 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.66 2wh1 h ARG 57 Cb 0.80 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 2wh1 h ARG 57 CO -0.36 0.18 -0.22 -0.22 -1.51 0.00 0.00 179.97 177.83 2wh1 h LYS 58 N 0.03 0.00 -0.08 0.20 1.63 -0.78 -1.74 116.57 115.83 2wh1 h LYS 58 Ca 0.03 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 2wh1 h LYS 58 Cb 0.10 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.72 2wh1 h LYS 58 CO -0.00 0.22 -0.07 0.00 -3.45 0.00 0.00 179.45 176.15 2wh1 h ALA 59 N 1.78 0.12 -0.20 5.00 0.00 0.15 -2.47 119.26 123.64 2wh1 h ALA 59 Ca -0.00 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.67 2wh1 h ALA 59 Cb 0.50 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2wh1 h ALA 59 CO 0.03 -0.08 -0.03 1.49 0.00 0.00 0.00 179.25 180.66 2wh1 h GLU 60 N -0.21 0.03 -0.91 0.00 4.81 -0.28 -2.19 114.58 115.83 2wh1 h GLU 60 Ca 0.02 -0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.41 2wh1 h GLU 60 Cb 0.55 -0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.83 2wh1 h GLU 60 CO 0.02 0.02 0.50 1.03 -0.73 0.00 0.00 179.01 179.85 2wh1 h SER 61 N 0.03 0.62 0.30 1.04 0.87 -1.28 -0.64 113.55 114.50 2wh1 h SER 61 Ca 0.10 0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.64 2wh1 h SER 61 Cb 0.13 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2wh1 h SER 61 CO -0.18 0.24 -0.45 -0.07 -0.53 0.00 0.00 176.83 175.84 2wh1 h LEU 62 N 0.68 0.19 0.60 2.23 3.38 -0.94 -2.25 115.31 119.19 2wh1 h LEU 62 Ca 0.51 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.36 2wh1 h LEU 62 Cb 0.74 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.44 2wh1 h LEU 62 CO -0.37 0.62 -0.29 0.40 0.09 0.00 0.00 178.44 178.89 2wh1 h ILE 63 N 0.15 0.13 -0.98 1.22 2.04 -0.55 -2.69 117.51 116.82 2wh1 h ILE 63 Ca 0.01 -0.39 0.13 0.00 1.00 0.00 0.00 64.86 65.60 2wh1 h ILE 63 Cb 0.85 0.19 -0.08 0.00 -0.74 0.00 0.00 36.82 37.03 2wh1 h ILE 63 CO 0.07 0.02 0.62 0.44 0.00 0.00 0.00 178.15 179.30 2wh1 h ASP 64 N -1.15 0.88 -0.78 1.72 5.19 -1.41 -0.86 116.42 120.01 2wh1 h ASP 64 Ca -0.08 0.05 0.03 0.00 -0.62 0.00 0.00 57.03 56.40 2wh1 h ASP 64 Cb 0.65 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 39.99 2wh1 h ASP 64 CO 0.14 0.46 0.52 0.11 -3.12 0.00 0.00 179.24 177.34 2wh1 h LYS 65 N 0.94 0.96 0.00 3.56 1.79 -1.38 0.49 116.57 122.92 2wh1 h LYS 65 Ca 0.49 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.90 2wh1 h LYS 65 Cb 0.54 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2wh1 h LYS 65 CO -0.26 0.63 0.00 0.00 -1.08 0.00 0.00 179.45 178.75 2wh1 n ALA 66 N -2.42 2.27 0.07 3.86 0.00 -0.40 -3.46 120.51 120.43 2wh1 n ALA 66 Ca 0.10 -0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.37 2wh1 n ALA 66 Cb 0.09 -1.47 -0.08 0.00 0.00 0.00 0.00 19.45 18.00 2wh1 n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh1 h ALA 67 N 2.63 -0.16 -0.58 0.00 0.00 -0.12 -3.09 119.26 117.94 2wh1 h ALA 67 Ca 0.00 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.83 2wh1 h ALA 67 Cb 0.66 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.41 2wh1 h ALA 67 CO 0.00 -0.45 -0.50 0.87 0.00 0.00 0.00 179.25 179.18 2wh1 h LYS 68 N -0.44 -0.25 -7.34 0.00 1.57 -1.56 -3.37 116.57 105.19 2wh1 h LYS 68 Ca -0.02 0.02 -0.44 0.00 -1.87 0.00 0.00 60.65 58.35 2wh1 h LYS 68 Cb 0.36 0.06 0.18 0.00 0.08 0.00 0.00 32.23 32.90 2wh1 h LYS 68 CO 0.03 -0.17 0.14 0.20 -0.57 0.00 0.00 179.45 179.08 2wh1 s GLY 69 N -2.65 1.56 -1.52 3.86 0.00 -1.23 -4.88 107.32 102.47 2wh1 s GLY 69 Ca -0.14 -0.55 -0.09 0.00 0.00 0.00 0.00 44.72 43.94 2wh1 s GLY 69 CO 0.64 0.18 2.95 1.44 0.00 0.00 0.00 173.10 178.31 2wh1 n SER 70 N -4.49 8.55 0.00 1.64 7.64 -1.26 -4.21 113.62 121.48 2wh1 n SER 70 Ca 0.07 -2.62 0.00 0.00 1.01 0.00 0.00 58.87 57.33 2wh1 n SER 70 Cb 0.58 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 2wh1 n SER 70 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2wh1 n THR 71 N 3.35 0.00 -1.27 0.44 -1.04 -1.25 -4.88 114.28 109.63 2wh1 n THR 71 Ca 0.76 0.01 -0.14 0.00 -2.04 0.00 0.00 64.05 62.64 2wh1 n THR 71 Cb 0.27 -0.64 0.21 0.00 -1.82 0.00 0.00 70.33 68.34 2wh1 n THR 71 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2wh1 n LEU 72 N -1.37 5.67 -4.34 -4.42 4.77 -1.17 -5.03 117.00 111.11 2wh1 n LEU 72 Ca 0.00 -3.59 -0.38 0.00 -0.03 0.00 0.00 56.01 52.01 2wh1 n LEU 72 Cb 0.00 -0.75 0.04 0.00 -2.33 0.00 0.00 43.42 40.38 2wh1 n LEU 72 CO 0.00 1.08 -0.33 1.41 -1.33 0.00 0.00 177.39 178.21 2wh1 n HIS 73 N -0.98 -1.98 0.00 -1.77 8.25 -1.26 -2.77 115.22 114.71 2wh1 n HIS 73 Ca 0.47 0.37 0.00 0.00 -0.26 0.00 0.00 57.72 58.30 2wh1 n HIS 73 Cb 1.39 -1.79 0.00 0.00 1.12 0.00 0.00 29.99 30.71 2wh1 n HIS 73 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2wh1 n LYS 74 N 0.56 0.00 0.00 -0.41 4.76 -1.26 -4.08 118.16 117.73 2wh1 n LYS 74 Ca 0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 2wh1 n LYS 74 Cb 0.49 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.68 2wh1 n LYS 74 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2wh1 n ASN 75 N -0.58 0.29 -0.03 4.39 6.94 -1.26 -2.78 115.26 122.24 2wh1 n ASN 75 Ca 0.00 -0.71 -0.12 0.00 -0.02 0.00 0.00 54.58 53.73 2wh1 n ASN 75 Cb 0.00 -0.15 -0.07 0.00 -2.36 0.00 0.00 39.78 37.20 2wh1 n ASN 75 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wh1 h ALA 76 N 1.41 0.14 0.00 -2.53 0.00 -1.71 0.15 119.26 116.72 2wh1 h ALA 76 Ca 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2wh1 h ALA 76 Cb 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2wh1 h ALA 76 CO 0.00 -0.14 -0.31 0.00 0.00 0.00 0.00 179.25 178.80 2wh1 h ALA 77 N 0.70 1.35 -0.20 0.00 0.00 -1.33 -2.67 119.26 117.10 2wh1 h ALA 77 Ca 0.03 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2wh1 h ALA 77 Cb 0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2wh1 h ALA 77 CO 0.01 0.39 -0.05 0.00 0.00 0.00 0.00 179.25 179.60 2wh1 h ALA 78 N 1.69 0.27 -0.41 0.00 0.00 -1.64 -2.76 119.26 116.41 2wh1 h ALA 78 Ca -0.00 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.77 2wh1 h ALA 78 Cb 0.60 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2wh1 h ALA 78 CO 0.04 0.06 0.33 -0.09 0.00 0.00 0.00 179.25 179.58 2wh1 h ARG 79 N 0.10 0.00 -0.08 0.00 2.43 -0.37 0.36 114.38 116.82 2wh1 h ARG 79 Ca 0.05 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.07 2wh1 h ARG 79 Cb 0.51 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2wh1 h ARG 79 CO 0.02 0.00 -0.62 0.00 -1.51 0.00 0.00 179.97 177.86 2wh1 h ARG 80 N 0.00 0.27 0.03 0.20 2.47 -1.37 -3.25 114.38 112.73 2wh1 h ARG 80 Ca 0.19 -0.19 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2wh1 h ARG 80 Cb 0.85 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 2wh1 h ARG 80 CO -0.00 0.80 -0.02 0.87 0.56 0.00 0.00 179.97 182.19 2wh1 h LYS 81 N 0.20 -0.04 0.00 0.04 1.57 -0.27 -0.13 116.57 117.93 2wh1 h LYS 81 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2wh1 h LYS 81 Cb 1.14 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2wh1 h LYS 81 CO 0.10 0.57 0.08 -1.13 -0.57 0.00 0.00 179.45 178.49 2wh1 n SER 82 N -4.73 0.00 -0.00 0.86 3.41 -0.05 -1.43 113.62 111.68 2wh1 n SER 82 Ca -0.07 0.25 -0.01 0.00 -0.26 0.00 0.00 58.87 58.78 2wh1 n SER 82 Cb 0.30 -0.25 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 2wh1 n SER 82 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2wh1 n ARG 83 N -1.21 3.16 0.20 4.33 1.74 -1.23 -4.33 116.66 119.33 2wh1 n ARG 83 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 2wh1 n ARG 83 Cb 0.08 -1.02 -0.05 0.00 -1.02 0.00 0.00 32.46 30.44 2wh1 n ARG 83 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2wh1 h LEU 84 N 0.00 -0.49 0.00 0.55 7.12 0.19 -2.00 115.31 120.67 2wh1 h LEU 84 Ca -0.02 -0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.96 2wh1 h LEU 84 Cb 1.05 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 41.31 2wh1 h LEU 84 CO 0.00 -0.06 0.00 1.15 -0.13 0.00 0.00 178.44 179.40 2wh1 n MET 85 N -5.17 0.94 0.03 1.25 0.00 -0.93 -1.63 117.12 111.62 2wh1 n MET 85 Ca -0.08 0.00 0.08 0.00 0.00 0.00 0.00 57.70 57.70 2wh1 n MET 85 Cb 0.25 -1.29 -0.10 0.00 0.00 0.00 0.00 33.22 32.09 2wh1 n MET 85 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 2wh1 n ARG 86 N -0.79 0.64 -0.08 3.17 0.63 -1.19 -3.55 116.66 115.48 2wh1 n ARG 86 Ca 0.13 -0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.94 2wh1 n ARG 86 Cb 0.06 -1.67 -0.06 0.00 0.45 0.00 0.00 32.46 31.24 2wh1 n ARG 86 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2wh1 h LYS 87 N 0.00 0.00 -0.86 -0.14 1.63 -0.52 -3.32 116.57 113.36 2wh1 h LYS 87 Ca -0.07 0.00 0.17 0.00 -0.85 0.00 0.00 60.65 59.90 2wh1 h LYS 87 Cb 1.19 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.76 2wh1 h LYS 87 CO 0.01 0.45 0.56 0.28 -3.45 0.00 0.00 179.45 177.31 2wh1 h VAL 88 N -1.00 0.75 0.26 2.00 2.07 -1.59 -0.85 116.25 117.89 2wh1 h VAL 88 Ca -0.13 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 2wh1 h VAL 88 Cb 0.78 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2wh1 h VAL 88 CO -0.08 0.09 -0.16 -0.09 0.02 0.00 0.00 177.57 177.35 2wh1 h ARG 89 N 0.48 -0.39 -0.42 1.57 2.43 -1.72 -0.46 114.38 115.87 2wh1 h ARG 89 Ca 0.44 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.56 2wh1 h ARG 89 Cb 0.96 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 2wh1 h ARG 89 CO -0.17 -0.26 -0.01 1.96 -1.51 0.00 0.00 179.97 179.98 2wh1 h GLN 90 N -0.40 0.76 0.31 0.20 4.20 -1.41 0.96 115.11 119.73 2wh1 h GLN 90 Ca -0.02 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.42 2wh1 h GLN 90 Cb 0.34 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2wh1 h GLN 90 CO 0.02 0.84 -0.15 -0.07 -0.67 0.00 0.00 178.83 178.80 2wh1 h LEU 91 N 0.59 -0.35 0.62 1.46 3.38 -1.13 0.20 115.31 120.07 2wh1 h LEU 91 Ca 0.12 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2wh1 h LEU 91 Cb 0.51 0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.35 2wh1 h LEU 91 CO 0.02 -0.21 -0.30 -0.07 0.09 0.00 0.00 178.44 177.98 2wh1 h LEU 92 N -0.47 -0.70 0.00 1.67 3.38 -0.37 -2.55 115.31 116.27 2wh1 h LEU 92 Ca -0.04 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2wh1 h LEU 92 Cb 0.36 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2wh1 h LEU 92 CO 0.07 -0.39 0.06 1.21 0.09 0.00 0.00 178.44 179.48 2wh1 n GLU 93 N -4.82 0.00 -1.18 1.13 0.00 0.33 -2.36 120.64 113.74 2wh1 n GLU 93 Ca -0.10 0.22 -0.19 0.00 0.00 0.00 0.00 57.16 57.08 2wh1 n GLU 93 Cb 0.33 -1.56 -0.12 0.00 0.00 0.00 0.00 31.44 30.08 2wh1 n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wh1 n ALA 94 N -1.17 6.54 -0.91 4.31 0.00 0.68 -4.46 120.51 125.51 2wh1 n ALA 94 Ca 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 53.44 51.07 2wh1 n ALA 94 Cb 0.06 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.10 2wh1 n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh1 n ALA 95 N 2.21 -1.81 0.00 0.00 0.00 -1.06 -5.00 120.51 114.86 2wh1 n ALA 95 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2wh1 n ALA 95 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.19 2wh1 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh1 n GLY 96 N -0.21 0.00 1.53 0.00 0.00 -0.99 -4.97 105.19 100.56 2wh1 n GLY 96 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2wh1 n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh1 n ALA 97 N 0.00 -2.20 0.10 4.61 0.00 -1.26 -4.29 120.51 117.46 2wh1 n ALA 97 Ca 0.00 0.53 0.05 0.00 0.00 0.00 0.00 53.44 54.02 2wh1 n ALA 97 Cb 0.00 -1.43 0.26 0.00 0.00 0.00 0.00 19.45 18.29 2wh1 n ALA 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wh1 n PRO 98 N -2.88 0.06 0.00 0.00 -0.04 -1.26 -4.64 135.00 126.24 2wh1 n PRO 98 Ca -0.02 0.54 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 2wh1 n PRO 98 Cb 0.48 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 2wh1 n PRO 98 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wh1 n LEU 99 N -1.83 0.00 -1.38 1.53 4.77 -1.26 -4.70 117.00 114.13 2wh1 n LEU 99 Ca -0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 2wh1 n LEU 99 Cb 0.03 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 2wh1 n LEU 99 CO 0.05 0.00 -0.01 -0.38 -1.33 0.00 0.00 177.39 175.72 2wh1 n ILE 100 N 0.00 0.60 -2.82 -0.08 -0.00 -1.26 -4.83 119.36 110.97 2wh1 n ILE 100 Ca 0.00 -0.16 -0.42 0.00 -0.00 0.00 0.00 62.75 62.17 2wh1 n ILE 100 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 39.60 2wh1 n ILE 100 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 2wh1 s GLY 101 N -0.31 1.72 0.00 7.39 0.00 -1.26 -4.80 107.32 110.05 2wh1 s GLY 101 Ca 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.83 2wh1 s GLY 101 CO 0.18 1.93 0.00 0.61 0.00 0.00 0.00 173.10 175.82 2wh1 n GLY 102 N 3.71 6.35 0.00 0.20 0.00 -1.26 -4.97 105.19 109.22 2wh1 n GLY 102 Ca 0.07 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.40 2wh1 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh1 n GLY 103 N 2.59 -0.28 3.81 -0.02 0.00 -1.26 -4.57 105.19 105.44 2wh1 n GLY 103 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2wh1 n GLY 103 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wh1 s LEU 104 N -2.50 3.93 -1.17 0.99 0.20 -1.26 -5.04 118.68 113.83 2wh1 s LEU 104 Ca 0.00 0.07 -0.13 0.00 0.69 0.00 0.00 54.13 54.76 2wh1 s LEU 104 Cb 0.00 -2.55 0.18 0.00 -0.43 0.00 0.00 46.19 43.39 2wh1 s LEU 104 CO 0.00 0.19 1.37 -0.94 -0.29 0.00 0.00 176.35 176.67 2wh1 s SER 105 N -2.31 7.08 0.00 3.68 1.04 -1.26 -4.96 113.70 116.97 2wh1 s SER 105 Ca 0.29 -3.02 0.00 0.00 0.48 0.00 0.00 55.95 53.70 2wh1 s SER 105 Cb -0.12 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.62 2wh1 s SER 105 CO 0.22 -0.70 0.00 0.00 0.98 0.00 0.00 173.24 173.74