#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh2 n HIS 3 N 0.00 -0.14 0.00 -1.55 8.25 -1.26 -4.74 115.22 115.78 2wh2 n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wh2 n HIS 3 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wh2 n HIS 3 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2wh2 n LEU 4 N 0.00 0.00 0.00 2.41 -0.00 -1.26 -4.74 117.00 113.41 2wh2 n LEU 4 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2wh2 n LEU 4 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.39 2wh2 n LEU 4 CO 0.00 0.00 0.20 0.29 -0.00 0.00 0.00 177.39 177.88 2wh2 n LYS 5 N -1.37 0.00 -2.59 1.96 4.01 -1.26 -4.60 118.16 114.32 2wh2 n LYS 5 Ca 0.00 0.00 -0.25 0.00 -0.51 0.00 0.00 58.31 57.55 2wh2 n LYS 5 Cb 0.00 -1.47 0.03 0.00 -0.51 0.00 0.00 35.03 33.08 2wh2 n LYS 5 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2wh2 s SER 6 N -1.83 5.53 -0.16 4.39 0.01 -1.26 -5.07 113.70 115.31 2wh2 s SER 6 Ca 0.00 0.45 -0.28 0.00 1.31 0.00 0.00 55.95 57.43 2wh2 s SER 6 Cb 0.00 -1.46 -0.01 0.00 0.21 0.00 0.00 66.02 64.76 2wh2 s SER 6 CO 0.00 -1.03 0.97 -0.83 0.41 0.00 0.00 173.24 172.76 2wh2 s GLY 7 N -4.32 2.10 0.00 3.44 0.00 -1.26 -4.91 107.32 102.37 2wh2 s GLY 7 Ca 0.53 0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.48 2wh2 s GLY 7 CO 0.42 1.93 0.00 0.54 0.00 0.00 0.00 173.10 175.99 2wh2 n ARG 8 N 5.45 -0.00 -0.90 2.90 5.12 -1.26 -5.01 116.66 122.95 2wh2 n ARG 8 Ca 0.08 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.67 2wh2 n ARG 8 Cb 0.48 -0.50 0.09 0.00 -1.16 0.00 0.00 32.46 31.37 2wh2 n ARG 8 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2wh2 n LYS 9 N -0.66 -0.16 -3.15 5.56 2.85 -1.26 -5.06 118.16 116.28 2wh2 n LYS 9 Ca 0.00 -0.02 0.05 0.00 -1.05 0.00 0.00 58.31 57.30 2wh2 n LYS 9 Cb 0.00 -1.60 -0.01 0.00 -0.65 0.00 0.00 35.03 32.77 2wh2 n LYS 9 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2wh2 s LEU 10 N 1.65 -0.48 0.00 -5.58 1.43 -1.26 -5.12 118.68 109.32 2wh2 s LEU 10 Ca 0.53 0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.87 2wh2 s LEU 10 Cb -0.22 1.37 0.03 0.00 0.03 0.00 0.00 46.19 47.40 2wh2 s LEU 10 CO 0.71 -0.09 0.27 -3.20 0.23 0.00 0.00 176.35 174.27 2wh2 n ASN 11 N 5.37 0.64 -0.61 2.29 2.85 -1.26 -4.95 115.26 119.59 2wh2 n ASN 11 Ca -0.02 -1.47 0.00 0.00 -0.11 0.00 0.00 54.58 52.97 2wh2 n ASN 11 Cb 0.55 -0.15 0.00 0.00 1.24 0.00 0.00 39.78 41.42 2wh2 n ASN 11 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2wh2 n ARG 12 N -1.44 0.00 -4.54 1.20 1.74 -1.26 -4.51 116.66 107.86 2wh2 n ARG 12 Ca 0.05 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.84 2wh2 n ARG 12 Cb 0.19 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.55 2wh2 n ARG 12 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2wh2 s HIS 13 N 0.00 2.16 0.00 -1.55 -3.43 -1.26 -4.83 115.29 106.38 2wh2 s HIS 13 Ca 0.00 -0.80 0.00 0.00 -0.80 0.00 0.00 55.06 53.46 2wh2 s HIS 13 Cb 0.00 -1.75 0.00 0.00 -1.43 0.00 0.00 32.58 29.40 2wh2 s HIS 13 CO 0.00 0.22 0.23 -1.13 -2.00 0.00 0.00 174.74 172.06 2wh2 n SER 14 N -1.22 0.00 0.16 7.38 3.41 -1.26 0.23 113.62 122.32 2wh2 n SER 14 Ca -0.10 0.23 -0.14 0.00 -0.26 0.00 0.00 58.87 58.60 2wh2 n SER 14 Cb 0.66 -0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 64.48 2wh2 n SER 14 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2wh2 h SER 15 N 0.00 -0.54 -0.08 4.04 4.64 -1.99 -1.93 113.55 117.70 2wh2 h SER 15 Ca 0.00 0.05 0.02 0.00 -0.47 0.00 0.00 61.79 61.39 2wh2 h SER 15 Cb 0.00 0.19 -0.06 0.00 -0.31 0.00 0.00 62.40 62.22 2wh2 h SER 15 CO 0.00 -0.31 -0.49 -0.74 -0.87 0.00 0.00 176.83 174.42 2wh2 h HIS 16 N -0.45 -1.46 -0.97 4.77 -0.00 -1.75 0.52 115.15 115.81 2wh2 h HIS 16 Ca -0.00 0.05 0.20 0.00 -0.00 0.00 0.00 60.37 60.61 2wh2 h HIS 16 Cb 0.42 0.65 -0.18 0.00 -0.00 0.00 0.00 27.41 28.29 2wh2 h HIS 16 CO -0.15 -0.51 -0.24 -0.09 -0.00 0.00 0.00 177.93 176.95 2wh2 h ARG 17 N -0.56 0.00 0.00 5.26 9.65 -0.11 0.60 114.38 129.22 2wh2 h ARG 17 Ca 0.02 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2wh2 h ARG 17 Cb 0.63 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.21 2wh2 h ARG 17 CO -0.37 0.00 0.00 -0.11 2.80 0.00 0.00 179.97 182.29 2wh2 n LEU 18 N -5.61 0.10 -0.25 3.80 -0.00 -0.21 -2.63 117.00 112.20 2wh2 n LEU 18 Ca 0.15 0.76 0.12 0.00 -0.00 0.00 0.00 56.01 57.04 2wh2 n LEU 18 Cb 0.49 -0.30 0.23 0.00 -0.00 0.00 0.00 43.42 43.84 2wh2 n LEU 18 CO -0.11 -0.30 0.59 0.00 -0.00 0.00 0.00 177.39 177.57 2wh2 n ALA 19 N -1.40 0.40 0.06 1.96 0.00 0.17 -0.31 120.51 121.38 2wh2 n ALA 19 Ca 0.00 0.76 -0.05 0.00 0.00 0.00 0.00 53.44 54.15 2wh2 n ALA 19 Cb 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 2wh2 n ALA 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wh2 h LEU 20 N 0.00 -0.44 -0.96 0.00 5.85 0.17 -0.80 115.31 119.13 2wh2 h LEU 20 Ca 0.45 0.04 0.26 0.00 0.84 0.00 0.00 57.88 59.47 2wh2 h LEU 20 Cb 0.96 0.15 -0.18 0.00 0.37 0.00 0.00 40.66 41.96 2wh2 h LEU 20 CO -0.66 -0.18 0.01 -1.22 -0.34 0.00 0.00 178.44 176.05 2wh2 n TYR 21 N -3.28 0.60 0.17 1.25 0.53 0.58 -0.90 117.16 116.11 2wh2 n TYR 21 Ca -0.03 1.16 -0.14 0.00 -1.02 0.00 0.00 57.90 57.86 2wh2 n TYR 21 Cb 0.13 -1.21 -0.08 0.00 -1.03 0.00 0.00 39.34 37.15 2wh2 n TYR 21 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2wh2 h ARG 22 N 0.00 -0.35 0.00 -0.72 3.08 -1.01 0.98 114.38 116.36 2wh2 h ARG 22 Ca 0.58 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.65 2wh2 h ARG 22 Cb 1.18 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2wh2 h ARG 22 CO -0.91 -0.19 0.00 -0.91 -1.07 0.00 0.00 179.97 176.90 2wh2 h ASN 23 N -0.42 0.00 1.12 7.04 -0.26 0.40 0.43 115.58 123.90 2wh2 h ASN 23 Ca -0.04 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.60 2wh2 h ASN 23 Cb 0.32 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.56 2wh2 h ASN 23 CO 0.06 0.00 -0.92 1.56 -1.06 0.00 0.00 177.43 177.07 2wh2 h GLN 24 N 0.00 0.00 0.33 0.81 4.20 -0.71 -2.73 115.11 117.01 2wh2 h GLN 24 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2wh2 h GLN 24 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2wh2 h GLN 24 CO 0.00 0.30 -0.16 0.00 -0.67 0.00 0.00 178.83 178.30 2wh2 h ALA 25 N 1.58 -0.48 -0.90 3.87 0.00 0.33 -1.52 119.26 122.15 2wh2 h ALA 25 Ca -0.07 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 54.92 2wh2 h ALA 25 Cb 1.38 0.17 -0.17 0.00 0.00 0.00 0.00 17.79 19.17 2wh2 h ALA 25 CO 0.04 -0.45 -0.23 0.87 0.00 0.00 0.00 179.25 179.49 2wh2 h LYS 26 N -1.03 -0.00 0.57 0.00 1.57 -1.08 0.51 116.57 117.11 2wh2 h LYS 26 Ca -0.05 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2wh2 h LYS 26 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2wh2 h LYS 26 CO 0.07 -0.00 -0.49 0.77 -0.57 0.00 0.00 179.45 179.24 2wh2 h SER 27 N -0.00 -1.30 -0.76 0.86 0.02 -1.49 0.35 113.55 111.23 2wh2 h SER 27 Ca 0.43 0.10 0.17 0.00 -0.84 0.00 0.00 61.79 61.65 2wh2 h SER 27 Cb 0.66 0.42 -0.12 0.00 0.14 0.00 0.00 62.40 63.50 2wh2 h SER 27 CO -0.93 -0.67 0.16 0.25 -1.14 0.00 0.00 176.83 174.50 2wh2 h LEU 28 N -1.03 -0.04 0.28 5.07 7.12 0.11 -0.97 115.31 125.85 2wh2 h LEU 28 Ca -0.07 0.16 -0.01 0.00 0.13 0.00 0.00 57.88 58.09 2wh2 h LEU 28 Cb 0.88 0.23 0.00 0.00 -0.53 0.00 0.00 40.66 41.24 2wh2 h LEU 28 CO -0.02 -0.07 -0.14 -0.07 -0.13 0.00 0.00 178.44 178.01 2wh2 h LEU 29 N 0.24 -0.32 -0.29 2.25 4.07 -0.85 -2.74 115.31 117.67 2wh2 h LEU 29 Ca 0.43 -0.21 0.03 0.00 0.08 0.00 0.00 57.88 58.21 2wh2 h LEU 29 Cb 0.76 0.08 -0.04 0.00 1.08 0.00 0.00 40.66 42.55 2wh2 h LEU 29 CO -0.55 0.13 -0.21 0.74 -1.08 0.00 0.00 178.44 177.47 2wh2 h THR 30 N -0.87 0.00 0.00 0.22 2.02 0.28 -3.38 112.91 111.17 2wh2 h THR 30 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2wh2 h THR 30 Cb 0.51 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2wh2 h THR 30 CO 0.06 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.36 2wh2 n HIS 31 N -3.78 0.00 0.00 3.16 8.25 -0.42 -5.06 115.22 117.37 2wh2 n HIS 31 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wh2 n HIS 31 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 2wh2 n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wh2 n GLY 32 N 4.39 0.21 3.16 -1.41 0.00 -1.03 -4.99 105.19 105.52 2wh2 n GLY 32 Ca 0.00 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 2wh2 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh2 s ARG 33 N -1.00 0.99 0.11 1.61 3.00 -1.26 -2.64 118.95 119.77 2wh2 s ARG 33 Ca 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 55.73 54.99 2wh2 s ARG 33 Cb 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 34.95 33.90 2wh2 s ARG 33 CO 0.00 0.25 -0.08 0.42 0.00 0.00 0.00 175.30 175.89 2wh2 s ILE 34 N -0.83 0.87 -0.12 1.52 -1.09 -0.10 -4.92 121.20 116.53 2wh2 s ILE 34 Ca 0.02 -1.88 0.03 0.00 -2.23 0.00 0.00 60.65 56.59 2wh2 s ILE 34 Cb -0.08 -1.63 0.01 0.00 -1.58 0.00 0.00 42.46 39.18 2wh2 s ILE 34 CO 0.01 -0.76 -0.21 -0.89 -1.23 0.00 0.00 174.94 171.87 2wh2 s THR 35 N -3.23 1.92 0.22 2.92 2.01 -1.26 -1.64 115.64 116.58 2wh2 s THR 35 Ca 0.11 -0.91 -0.05 0.00 0.31 0.00 0.00 61.69 61.16 2wh2 s THR 35 Cb 0.02 -1.69 0.02 0.00 0.01 0.00 0.00 72.50 70.86 2wh2 s THR 35 CO -0.02 0.52 0.37 0.35 -0.69 0.00 0.00 174.62 175.16 2wh2 n THR 36 N 3.93 0.00 -0.51 -0.82 -2.24 -1.19 -4.98 114.28 108.47 2wh2 n THR 36 Ca -0.20 -0.83 -0.29 0.00 -2.27 0.00 0.00 64.05 60.47 2wh2 n THR 36 Cb 0.52 0.62 0.24 0.00 -2.10 0.00 0.00 70.33 69.61 2wh2 n THR 36 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2wh2 n THR 37 N -0.33 0.00 -0.01 4.28 -2.24 -1.26 -0.50 114.28 114.22 2wh2 n THR 37 Ca -0.02 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.27 2wh2 n THR 37 Cb 0.35 -0.99 -0.07 0.00 -2.10 0.00 0.00 70.33 67.51 2wh2 n THR 37 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2wh2 h VAL 38 N -2.55 1.21 0.09 2.28 2.07 -1.83 -2.61 116.25 114.92 2wh2 h VAL 38 Ca -0.58 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 2wh2 h VAL 38 Cb 1.32 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 2wh2 h VAL 38 CO 0.47 0.18 -0.04 -0.65 0.02 0.00 0.00 177.57 177.55 2wh2 h PRO 39 N -0.14 -0.11 -0.00 1.57 0.11 -1.91 0.19 132.00 131.70 2wh2 h PRO 39 Ca 0.02 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2wh2 h PRO 39 Cb 0.27 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 2wh2 h PRO 39 CO 0.00 0.28 0.55 -0.22 -0.21 0.00 0.00 178.00 178.40 2wh2 h LYS 40 N -0.53 0.00 0.00 1.05 3.64 -1.93 -0.76 116.57 118.03 2wh2 h LYS 40 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2wh2 h LYS 40 Cb 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2wh2 h LYS 40 CO 0.02 0.00 -0.38 0.00 -2.27 0.00 0.00 179.45 176.82 2wh2 n ALA 41 N -1.76 0.33 0.00 5.00 0.00 -0.95 -3.60 120.51 119.53 2wh2 n ALA 41 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2wh2 n ALA 41 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2wh2 n ALA 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wh2 n LYS 42 N -3.85 0.00 -0.10 0.00 5.02 0.63 0.52 118.16 120.39 2wh2 n LYS 42 Ca -0.05 0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 2wh2 n LYS 42 Cb 0.20 -1.56 -0.09 0.00 -0.02 0.00 0.00 35.03 33.56 2wh2 n LYS 42 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2wh2 n GLU 43 N -0.85 0.48 -0.28 1.97 4.07 -0.59 -4.52 120.64 120.92 2wh2 n GLU 43 Ca 0.00 0.13 0.05 0.00 -0.06 0.00 0.00 57.16 57.28 2wh2 n GLU 43 Cb 0.06 -1.36 0.19 0.00 -0.06 0.00 0.00 31.44 30.27 2wh2 n GLU 43 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2wh2 h LEU 44 N -0.14 0.50 0.00 4.31 7.12 0.01 -3.07 115.31 124.03 2wh2 h LEU 44 Ca -0.45 0.08 0.00 0.00 0.13 0.00 0.00 57.88 57.64 2wh2 h LEU 44 Cb 1.64 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.77 2wh2 h LEU 44 CO -0.12 0.23 0.00 -2.11 -0.13 0.00 0.00 178.44 176.32 2wh2 n ARG 45 N -4.87 0.00 -0.30 1.25 1.85 -1.08 -0.80 116.66 112.70 2wh2 n ARG 45 Ca 0.15 0.58 0.13 0.00 -1.00 0.00 0.00 57.85 57.70 2wh2 n ARG 45 Cb 0.38 -0.95 0.30 0.00 -1.05 0.00 0.00 32.46 31.13 2wh2 n ARG 45 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2wh2 h GLY 46 N 0.00 1.50 0.50 2.89 0.00 -1.82 -2.40 103.07 103.74 2wh2 h GLY 46 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 2wh2 h GLY 46 CO 0.00 -0.25 -0.28 -2.75 0.00 0.00 0.00 176.54 173.26 2wh2 h PHE 47 N 0.40 -0.73 -0.21 5.60 3.57 -1.01 -3.11 116.94 121.45 2wh2 h PHE 47 Ca 0.55 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 62.09 2wh2 h PHE 47 Cb 1.03 0.25 -0.07 0.00 2.79 0.00 0.00 35.95 39.95 2wh2 h PHE 47 CO -0.14 -0.43 -0.42 0.28 -2.23 0.00 0.00 178.31 175.37 2wh2 h VAL 48 N -0.72 0.14 -0.75 1.41 2.07 -1.11 -2.74 116.25 114.56 2wh2 h VAL 48 Ca -0.07 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.53 2wh2 h VAL 48 Cb 0.56 0.14 -0.09 0.00 -1.52 0.00 0.00 31.29 30.38 2wh2 h VAL 48 CO 0.09 0.00 -0.41 0.47 0.02 0.00 0.00 177.57 177.73 2wh2 n ASP 49 N -5.43 -0.74 -0.19 0.57 10.43 -0.92 0.47 116.55 120.75 2wh2 n ASP 49 Ca -0.03 1.32 -0.01 0.00 2.57 0.00 0.00 54.79 58.64 2wh2 n ASP 49 Cb 0.36 -0.19 0.06 0.00 1.84 0.00 0.00 41.12 43.18 2wh2 n ASP 49 CO 0.00 0.00 0.00 -0.74 -1.07 0.00 0.00 177.20 175.39 2wh2 h HIS 50 N 0.00 -0.29 -0.38 1.24 2.76 -1.41 0.19 115.15 117.25 2wh2 h HIS 50 Ca 0.14 0.05 0.02 0.00 -2.20 0.00 0.00 60.37 58.39 2wh2 h HIS 50 Cb 0.33 0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.49 2wh2 h HIS 50 CO -0.75 -0.24 0.26 -0.07 -1.30 0.00 0.00 177.93 175.82 2wh2 h LEU 51 N 0.01 0.37 0.21 0.26 4.07 0.05 0.26 115.31 120.53 2wh2 h LEU 51 Ca 0.28 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.23 2wh2 h LEU 51 Cb 0.43 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.09 2wh2 h LEU 51 CO -0.59 0.26 -0.10 0.40 -1.08 0.00 0.00 178.44 177.32 2wh2 h ILE 52 N 0.43 0.00 -0.37 1.22 1.08 0.28 -1.41 117.51 118.74 2wh2 h ILE 52 Ca 0.15 -0.14 0.11 0.00 -0.39 0.00 0.00 64.86 64.59 2wh2 h ILE 52 Cb 0.08 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.82 2wh2 h ILE 52 CO -0.04 0.00 0.54 -0.74 -0.69 0.00 0.00 178.15 177.23 2wh2 h HIS 53 N -0.42 0.00 0.20 1.37 2.76 -0.54 1.00 115.15 119.53 2wh2 h HIS 53 Ca -0.03 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 57.83 2wh2 h HIS 53 Cb 0.21 0.00 0.03 0.00 1.55 0.00 0.00 27.41 29.20 2wh2 h HIS 53 CO 0.09 0.00 -1.39 1.25 -1.30 0.00 0.00 177.93 176.58 2wh2 h LEU 54 N 0.00 0.68 0.00 0.26 5.85 -0.46 -2.81 115.31 118.82 2wh2 h LEU 54 Ca 0.17 -0.73 0.00 0.00 0.84 0.00 0.00 57.88 58.17 2wh2 h LEU 54 Cb 1.26 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2wh2 h LEU 54 CO -0.00 1.57 0.00 0.00 -0.34 0.00 0.00 178.44 179.67 2wh2 n ALA 55 N -2.64 2.31 0.09 1.25 0.00 0.27 -2.88 120.51 118.91 2wh2 n ALA 55 Ca -0.14 -0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.06 2wh2 n ALA 55 Cb 1.07 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 18.99 2wh2 n ALA 55 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wh2 h LYS 56 N 0.00 -0.17 -7.41 0.00 1.63 0.81 -3.41 116.57 108.01 2wh2 h LYS 56 Ca 0.00 0.01 -0.44 0.00 -0.85 0.00 0.00 60.65 59.37 2wh2 h LYS 56 Cb 0.40 0.04 0.17 0.00 -0.60 0.00 0.00 32.23 32.24 2wh2 h LYS 56 CO 0.00 -0.02 0.19 1.03 -3.45 0.00 0.00 179.45 177.21 2wh2 s ARG 57 N -5.70 -0.09 -0.06 1.90 0.52 -1.14 -5.00 118.95 109.37 2wh2 s ARG 57 Ca -0.14 0.22 0.04 0.00 -0.52 0.00 0.00 55.73 55.33 2wh2 s ARG 57 Cb 0.05 -1.70 -0.07 0.00 0.52 0.00 0.00 34.95 33.75 2wh2 s ARG 57 CO 0.64 -3.02 0.00 0.41 0.02 0.00 0.00 175.30 173.36 2wh2 n GLY 58 N -1.31 -0.24 0.00 -3.53 0.00 -1.26 -4.94 105.19 93.91 2wh2 n GLY 58 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wh2 n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wh2 n ASP 59 N -2.33 0.00 0.32 1.61 3.85 -1.26 -4.58 116.55 114.16 2wh2 n ASP 59 Ca -0.10 0.00 0.20 0.00 -0.71 0.00 0.00 54.79 54.18 2wh2 n ASP 59 Cb 0.68 0.00 1.11 0.00 -1.35 0.00 0.00 41.12 41.55 2wh2 n ASP 59 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 2wh2 h LEU 60 N 0.00 0.00 0.19 -2.12 6.46 -2.00 -2.53 115.31 115.31 2wh2 h LEU 60 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2wh2 h LEU 60 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2wh2 h LEU 60 CO 0.00 0.00 -0.09 -0.74 -0.62 0.00 0.00 178.44 176.99 2wh2 h HIS 61 N 0.00 -0.24 -1.33 1.25 2.76 -2.00 -2.30 115.15 113.29 2wh2 h HIS 61 Ca -0.00 -0.01 0.41 0.00 -2.20 0.00 0.00 60.37 58.57 2wh2 h HIS 61 Cb 0.03 0.08 -0.10 0.00 1.55 0.00 0.00 27.41 28.96 2wh2 h HIS 61 CO 0.00 -0.15 0.89 0.00 -1.30 0.00 0.00 177.93 177.37 2wh2 h ALA 62 N -1.84 2.84 0.76 5.26 0.00 -1.77 0.33 119.26 124.83 2wh2 h ALA 62 Ca -0.03 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2wh2 h ALA 62 Cb 0.19 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2wh2 h ALA 62 CO 0.04 -1.37 -0.36 -0.09 0.00 0.00 0.00 179.25 177.47 2wh2 h ARG 63 N 0.12 -0.98 0.00 0.00 2.43 -1.35 -0.79 114.38 113.82 2wh2 h ARG 63 Ca 0.75 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.99 2wh2 h ARG 63 Cb 2.47 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 32.24 2wh2 h ARG 63 CO -0.28 -0.65 0.15 0.54 -1.51 0.00 0.00 179.97 178.22 2wh2 n ARG 64 N -4.95 0.06 -0.07 0.20 1.74 0.06 -0.02 116.66 113.69 2wh2 n ARG 64 Ca -0.13 0.51 -0.06 0.00 -0.77 0.00 0.00 57.85 57.41 2wh2 n ARG 64 Cb 0.40 -1.86 -0.03 0.00 -1.02 0.00 0.00 32.46 29.95 2wh2 n ARG 64 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2wh2 h LEU 65 N 0.00 0.00 -2.24 0.55 4.07 -1.01 -3.06 115.31 113.62 2wh2 h LEU 65 Ca 0.00 -0.10 0.05 0.00 0.08 0.00 0.00 57.88 57.91 2wh2 h LEU 65 Cb 0.31 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 2wh2 h LEU 65 CO 0.00 0.77 0.21 0.58 -1.08 0.00 0.00 178.44 178.92 2wh2 h VAL 66 N -1.00 0.41 0.00 1.22 2.07 -0.24 0.47 116.25 119.18 2wh2 h VAL 66 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2wh2 h VAL 66 Cb 0.47 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2wh2 h VAL 66 CO -0.02 0.00 0.00 0.25 0.02 0.00 0.00 177.57 177.82 2wh2 h LEU 67 N 0.00 0.00 -0.56 2.57 5.85 -0.53 -2.59 115.31 120.05 2wh2 h LEU 67 Ca 0.08 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.65 2wh2 h LEU 67 Cb 0.51 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2wh2 h LEU 67 CO -0.00 0.00 -0.72 0.03 -0.34 0.00 0.00 178.44 177.41 2wh2 h ARG 68 N 0.00 0.03 0.00 1.25 3.08 0.05 -3.39 114.38 115.41 2wh2 h ARG 68 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2wh2 h ARG 68 Cb 0.69 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2wh2 h ARG 68 CO 0.00 0.73 0.00 -0.25 -1.07 0.00 0.00 179.97 179.38 2wh2 n ASP 69 N -3.70 0.00 -4.66 7.04 10.43 -1.14 -4.78 116.55 119.74 2wh2 n ASP 69 Ca -0.01 0.07 -0.42 0.00 2.57 0.00 0.00 54.79 57.00 2wh2 n ASP 69 Cb 0.70 -0.13 -0.03 0.00 1.84 0.00 0.00 41.12 43.50 2wh2 n ASP 69 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2wh2 s LEU 70 N -2.60 4.33 0.00 0.64 1.43 -0.99 -4.85 118.68 116.65 2wh2 s LEU 70 Ca 0.00 2.34 0.27 0.00 -1.03 0.00 0.00 54.13 55.71 2wh2 s LEU 70 Cb 0.00 -3.53 0.82 0.00 0.03 0.00 0.00 46.19 43.51 2wh2 s LEU 70 CO 0.00 -0.99 1.61 1.67 0.23 0.00 0.00 176.35 178.87 2wh2 n GLN 71 N 7.30 0.61 -2.74 1.70 -0.06 -1.26 -4.31 117.38 118.62 2wh2 n GLN 71 Ca 0.18 -0.32 -0.43 0.00 -2.00 0.00 0.00 57.00 54.43 2wh2 n GLN 71 Cb 0.42 -1.49 -0.03 0.00 -4.06 0.00 0.00 30.24 25.08 2wh2 n GLN 71 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2wh2 s ASP 72 N -2.61 6.84 0.06 1.69 3.68 -1.26 -4.93 116.67 120.14 2wh2 s ASP 72 Ca 0.22 0.92 -0.25 0.00 2.13 0.00 0.00 52.55 55.58 2wh2 s ASP 72 Cb 0.19 -2.50 -0.17 0.00 -1.45 0.00 0.00 42.92 39.00 2wh2 s ASP 72 CO 0.55 -0.79 1.58 0.58 0.13 0.00 0.00 175.17 177.22 2wh2 h VAL 73 N 5.68 1.03 0.00 1.11 2.07 -1.97 -0.55 116.25 123.62 2wh2 h VAL 73 Ca -0.22 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2wh2 h VAL 73 Cb 1.07 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 2wh2 h VAL 73 CO 0.98 0.08 0.00 1.17 0.02 0.00 0.00 177.57 179.82 2wh2 n LYS 74 N -5.06 0.12 -0.10 1.57 4.81 -1.26 -1.93 118.16 116.31 2wh2 n LYS 74 Ca -0.08 0.21 -0.15 0.00 -0.87 0.00 0.00 58.31 57.42 2wh2 n LYS 74 Cb 0.12 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 33.54 2wh2 n LYS 74 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2wh2 n LEU 75 N -1.33 1.93 -0.29 3.14 -0.00 -0.82 -4.16 117.00 115.46 2wh2 n LEU 75 Ca 0.05 -0.03 0.11 0.00 -0.00 0.00 0.00 56.01 56.14 2wh2 n LEU 75 Cb 0.10 -0.45 0.34 0.00 -0.00 0.00 0.00 43.42 43.41 2wh2 n LEU 75 CO 0.09 0.77 1.22 1.62 -0.00 0.00 0.00 177.39 181.09 2wh2 h VAL 76 N 0.01 0.86 0.00 1.96 3.04 -0.43 -2.43 116.25 119.26 2wh2 h VAL 76 Ca -0.54 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 64.89 2wh2 h VAL 76 Cb 2.03 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.32 2wh2 h VAL 76 CO -0.02 0.14 0.00 0.54 -1.01 0.00 0.00 177.57 177.22 2wh2 n ARG 77 N -4.58 0.00 -0.14 4.17 1.74 -1.19 -1.80 116.66 114.86 2wh2 n ARG 77 Ca 0.18 0.51 0.14 0.00 -0.77 0.00 0.00 57.85 57.91 2wh2 n ARG 77 Cb 0.43 -1.40 0.26 0.00 -1.02 0.00 0.00 32.46 30.73 2wh2 n ARG 77 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2wh2 n LYS 78 N -1.91 -0.03 0.00 5.56 4.81 -0.94 -1.36 118.16 124.29 2wh2 n LYS 78 Ca 0.00 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 2wh2 n LYS 78 Cb 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 35.03 33.97 2wh2 n LYS 78 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2wh2 n LEU 79 N -3.97 1.42 -0.15 3.14 0.00 -0.75 -1.12 117.00 115.58 2wh2 n LEU 79 Ca 0.17 0.26 -0.04 0.00 0.00 0.00 0.00 56.01 56.40 2wh2 n LEU 79 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.95 2wh2 n LEU 79 CO 0.01 0.00 0.49 -0.26 0.00 0.00 0.00 177.39 177.63 2wh2 h PHE 80 N 0.00 -0.68 -3.56 1.96 0.04 -0.43 0.95 116.94 115.22 2wh2 h PHE 80 Ca 0.00 0.05 -0.79 0.00 2.80 0.00 0.00 57.97 60.02 2wh2 h PHE 80 Cb 0.00 0.34 -0.28 0.00 2.20 0.00 0.00 35.95 38.21 2wh2 h PHE 80 CO 0.00 -0.13 0.41 0.16 -0.60 0.00 0.00 178.31 178.15 2wh2 s ASP 81 N -3.88 7.24 0.00 2.17 3.84 -0.90 -3.89 116.67 121.26 2wh2 s ASP 81 Ca -0.04 -3.58 0.00 0.00 -0.00 0.00 0.00 52.55 48.93 2wh2 s ASP 81 Cb 0.04 -2.20 0.00 0.00 -1.38 0.00 0.00 42.92 39.38 2wh2 s ASP 81 CO 0.22 -0.29 0.00 1.21 -0.00 0.00 0.00 175.17 176.31 2wh2 n GLU 82 N 2.72 0.00 0.01 2.11 2.13 -1.22 -4.63 120.64 121.76 2wh2 n GLU 82 Ca 0.23 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.84 2wh2 n GLU 82 Cb 0.39 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.97 2wh2 n GLU 82 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2wh2 h ILE 83 N 0.00 1.06 -0.53 6.31 1.08 -0.32 -3.38 117.51 121.72 2wh2 h ILE 83 Ca 0.00 -2.40 -0.12 0.00 -0.39 0.00 0.00 64.86 61.95 2wh2 h ILE 83 Cb 0.00 2.73 -0.02 0.00 -3.07 0.00 0.00 36.82 36.46 2wh2 h ILE 83 CO 0.00 0.69 -0.14 0.00 -0.69 0.00 0.00 178.15 178.02 2wh2 h ALA 84 N -0.05 0.74 -0.86 1.87 0.00 -0.97 -3.19 119.26 116.79 2wh2 h ALA 84 Ca -0.29 -0.37 0.17 0.00 0.00 0.00 0.00 54.91 54.42 2wh2 h ALA 84 Cb 1.73 -0.19 -0.10 0.00 0.00 0.00 0.00 17.79 19.23 2wh2 h ALA 84 CO 0.05 0.68 0.42 -1.35 0.00 0.00 0.00 179.25 179.06 2wh2 h PRO 85 N 0.91 0.54 0.00 0.00 0.11 -1.75 -0.40 132.00 131.41 2wh2 h PRO 85 Ca 0.13 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2wh2 h PRO 85 Cb 0.72 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.70 2wh2 h PRO 85 CO 0.05 0.36 0.00 0.54 -0.21 0.00 0.00 178.00 178.74 2wh2 n ARG 86 N -4.92 0.03 -0.21 1.05 1.74 -1.20 -1.16 116.66 111.98 2wh2 n ARG 86 Ca 0.19 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.28 2wh2 n ARG 86 Cb 0.50 -1.36 0.02 0.00 -1.02 0.00 0.00 32.46 30.61 2wh2 n ARG 86 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2wh2 n TYR 87 N -0.86 0.00 -0.19 -1.55 4.01 -0.16 -4.88 117.16 113.52 2wh2 n TYR 87 Ca 0.00 -0.20 -0.02 0.00 -0.16 0.00 0.00 57.90 57.52 2wh2 n TYR 87 Cb 0.00 -0.05 0.04 0.00 -0.31 0.00 0.00 39.34 39.03 2wh2 n TYR 87 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2wh2 h ARG 88 N 0.00 -0.06 -1.40 -0.72 1.12 -1.12 -1.31 114.38 110.89 2wh2 h ARG 88 Ca 0.00 0.00 -0.70 0.00 -1.11 0.00 0.00 59.98 58.18 2wh2 h ARG 88 Cb 1.10 0.01 -0.28 0.00 -0.01 0.00 0.00 29.97 30.79 2wh2 h ARG 88 CO 0.00 -0.04 0.92 -0.25 -3.11 0.00 0.00 179.97 177.49 2wh2 n ASP 89 N -5.43 7.59 -4.17 -3.80 8.00 -1.26 -4.92 116.55 112.56 2wh2 n ASP 89 Ca 0.06 -3.77 -0.30 0.00 0.71 0.00 0.00 54.79 51.49 2wh2 n ASP 89 Cb 0.33 -1.02 -0.17 0.00 -0.02 0.00 0.00 41.12 40.24 2wh2 n ASP 89 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2wh2 s ARG 90 N -3.81 2.73 -1.29 -1.24 3.52 -0.50 -5.05 118.95 113.31 2wh2 s ARG 90 Ca 0.59 -0.77 -0.09 0.00 -0.13 0.00 0.00 55.73 55.33 2wh2 s ARG 90 Cb 0.47 -2.10 0.16 0.00 -1.56 0.00 0.00 34.95 31.93 2wh2 s ARG 90 CO -0.16 0.13 1.93 0.94 -0.81 0.00 0.00 175.30 177.33 2wh2 n GLN 91 N 3.63 3.66 -0.12 5.12 7.27 -1.26 -4.96 117.38 130.72 2wh2 n GLN 91 Ca -0.20 -3.48 0.02 0.00 0.07 0.00 0.00 57.00 53.40 2wh2 n GLN 91 Cb 0.53 -2.92 -0.00 0.00 2.41 0.00 0.00 30.24 30.25 2wh2 n GLN 91 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2wh2 n GLY 92 N 2.77 -2.07 3.36 1.69 0.00 -1.26 -4.98 105.19 104.69 2wh2 n GLY 92 Ca 0.42 -1.42 -0.17 0.00 0.00 0.00 0.00 46.02 44.85 2wh2 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh2 n GLY 93 N -0.78 -0.34 0.21 -0.02 0.00 -1.26 -4.88 105.19 98.12 2wh2 n GLY 93 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2wh2 n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wh2 n TYR 94 N -4.08 0.03 -3.69 1.61 4.02 -1.26 -4.84 117.16 108.94 2wh2 n TYR 94 Ca -0.26 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.90 57.49 2wh2 n TYR 94 Cb 0.66 -0.04 -0.07 0.00 -0.02 0.00 0.00 39.34 39.87 2wh2 n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2wh2 s THR 95 N -1.64 0.06 0.24 -0.72 -1.32 -1.26 -1.79 115.64 109.21 2wh2 s THR 95 Ca 0.01 -0.48 0.11 0.00 -1.21 0.00 0.00 61.69 60.12 2wh2 s THR 95 Cb 0.01 -0.89 -0.05 0.00 -1.51 0.00 0.00 72.50 70.06 2wh2 s THR 95 CO 0.01 -0.26 -0.20 -0.60 -2.21 0.00 0.00 174.62 171.35 2wh2 s ARG 96 N -2.20 1.58 -0.25 7.08 3.52 -0.22 -4.73 118.95 123.72 2wh2 s ARG 96 Ca -0.07 -1.66 -0.03 0.00 -0.13 0.00 0.00 55.73 53.84 2wh2 s ARG 96 Cb -0.02 -1.70 0.11 0.00 -1.56 0.00 0.00 34.95 31.79 2wh2 s ARG 96 CO -0.01 0.33 0.23 0.08 -0.81 0.00 0.00 175.30 175.12 2wh2 s VAL 97 N -2.30 -0.31 -0.16 7.11 1.01 -1.24 -0.76 120.40 123.75 2wh2 s VAL 97 Ca 0.26 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 2wh2 s VAL 97 Cb -0.05 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 2wh2 s VAL 97 CO 0.12 -0.40 -0.05 -0.76 0.00 0.00 0.00 175.10 174.02 2wh2 s LEU 98 N 2.30 3.15 0.19 3.92 1.43 -0.08 -4.90 118.68 124.69 2wh2 s LEU 98 Ca 0.08 -0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 52.70 2wh2 s LEU 98 Cb -0.15 -1.76 -0.08 0.00 0.03 0.00 0.00 46.19 44.23 2wh2 s LEU 98 CO -0.24 0.14 1.04 -0.54 0.23 0.00 0.00 176.35 176.98 2wh2 s LYS 99 N 0.52 4.67 0.62 1.70 1.02 -1.26 0.53 119.74 127.54 2wh2 s LYS 99 Ca -0.04 1.64 0.02 0.00 0.02 0.00 0.00 55.97 57.61 2wh2 s LYS 99 Cb -0.14 -3.29 0.08 0.00 -0.52 0.00 0.00 37.83 33.96 2wh2 s LYS 99 CO 0.03 0.20 0.86 -0.51 -0.92 0.00 0.00 175.35 175.01 2wh2 s LEU 100 N -0.59 3.14 0.32 3.17 1.43 -0.99 -4.90 118.68 120.26 2wh2 s LEU 100 Ca 0.47 -0.31 0.07 0.00 -1.03 0.00 0.00 54.13 53.33 2wh2 s LEU 100 Cb -0.28 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 2wh2 s LEU 100 CO 0.34 -1.46 0.36 0.00 0.23 0.00 0.00 176.35 175.83 2wh2 s ALA 101 N -2.89 3.99 0.13 4.21 0.00 -1.26 -4.75 121.76 121.19 2wh2 s ALA 101 Ca 0.62 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2wh2 s ALA 101 Cb -0.08 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.60 2wh2 s ALA 101 CO 0.41 0.03 0.00 0.39 0.00 0.00 0.00 175.76 176.59 2wh2 n GLU 102 N -1.47 -4.50 -3.33 0.00 1.02 -1.26 -4.93 120.64 106.16 2wh2 n GLU 102 Ca -0.02 3.30 -0.19 0.00 -0.02 0.00 0.00 57.16 60.22 2wh2 n GLU 102 Cb 0.59 -3.63 -0.01 0.00 -0.02 0.00 0.00 31.44 28.37 2wh2 n GLU 102 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2wh2 s ARG 103 N -1.02 2.63 -0.17 3.49 1.70 -1.26 -4.51 118.95 119.81 2wh2 s ARG 103 Ca 0.00 -1.44 -0.29 0.00 -0.47 0.00 0.00 55.73 53.53 2wh2 s ARG 103 Cb 0.00 -2.53 -0.06 0.00 -0.57 0.00 0.00 34.95 31.79 2wh2 s ARG 103 CO 0.00 -0.27 2.11 0.50 -1.08 0.00 0.00 175.30 176.56 2wh2 s ARG 104 N -4.25 3.38 -0.77 3.89 3.52 -0.79 -4.79 118.95 119.15 2wh2 s ARG 104 Ca 0.51 2.10 -0.21 0.00 -0.13 0.00 0.00 55.73 58.00 2wh2 s ARG 104 Cb -0.06 -4.30 0.10 0.00 -1.56 0.00 0.00 34.95 29.12 2wh2 s ARG 104 CO 0.30 -1.82 1.01 1.03 -0.81 0.00 0.00 175.30 175.02 2wh2 s ARG 105 N 5.84 3.31 0.00 5.12 0.52 -1.26 -1.06 118.95 131.42 2wh2 s ARG 105 Ca 0.95 -1.26 0.00 0.00 -0.52 0.00 0.00 55.73 54.91 2wh2 s ARG 105 Cb -0.34 -4.53 0.00 0.00 0.52 0.00 0.00 34.95 30.60 2wh2 s ARG 105 CO 0.36 -1.78 0.00 0.41 0.02 0.00 0.00 175.30 174.31 2wh2 n GLY 106 N 5.42 0.00 0.00 -3.53 0.00 -1.26 -4.85 105.19 100.97 2wh2 n GLY 106 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2wh2 n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wh2 n ASP 107 N 0.00 0.00 -3.92 1.61 3.85 -1.23 -5.03 116.55 111.82 2wh2 n ASP 107 Ca 0.00 0.00 -0.34 0.00 -0.71 0.00 0.00 54.79 53.74 2wh2 n ASP 107 Cb 0.00 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 39.78 2wh2 n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2wh2 n GLY 108 N 0.00 -0.73 3.16 6.12 0.00 -0.22 -4.93 105.19 108.59 2wh2 n GLY 108 Ca 0.00 0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 2wh2 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh2 s ALA 109 N -3.64 2.61 0.23 4.61 0.00 -0.96 -4.90 121.76 119.71 2wh2 s ALA 109 Ca 0.32 -1.50 -0.31 0.00 0.00 0.00 0.00 51.96 50.46 2wh2 s ALA 109 Cb -0.18 -1.59 -0.14 0.00 0.00 0.00 0.00 23.12 21.21 2wh2 s ALA 109 CO 0.76 -0.84 1.26 -0.35 0.00 0.00 0.00 175.76 176.59 2wh2 n PRO 110 N 4.61 1.63 -3.69 0.00 -0.04 -1.26 -1.88 135.00 134.36 2wh2 n PRO 110 Ca -0.17 0.58 -0.21 0.00 -0.04 0.00 0.00 63.50 63.67 2wh2 n PRO 110 Cb 0.46 -2.14 -0.03 0.00 -0.04 0.00 0.00 33.50 31.76 2wh2 n PRO 110 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wh2 s LEU 111 N 0.29 3.60 0.36 1.53 1.43 -1.26 -3.16 118.68 121.48 2wh2 s LEU 111 Ca 0.68 -0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 53.27 2wh2 s LEU 111 Cb -0.73 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.24 2wh2 s LEU 111 CO 0.53 -0.44 0.48 0.00 0.23 0.00 0.00 176.35 177.14 2wh2 s ALA 112 N -2.32 0.97 -0.10 4.21 0.00 0.34 -2.35 121.76 122.51 2wh2 s ALA 112 Ca 0.43 -1.64 0.02 0.00 0.00 0.00 0.00 51.96 50.78 2wh2 s ALA 112 Cb -0.06 1.18 0.01 0.00 0.00 0.00 0.00 23.12 24.26 2wh2 s ALA 112 CO 0.28 -0.78 -0.15 -1.17 0.00 0.00 0.00 175.76 173.93 2wh2 s LEU 113 N -3.28 1.73 -0.25 0.00 2.96 0.19 -3.15 118.68 116.88 2wh2 s LEU 113 Ca 0.32 -0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 53.79 2wh2 s LEU 113 Cb -0.01 -1.06 0.02 0.00 0.50 0.00 0.00 46.19 45.64 2wh2 s LEU 113 CO 0.23 0.03 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.55 2wh2 s VAL 114 N 0.90 3.06 0.29 1.68 1.01 -0.65 -0.90 120.40 125.78 2wh2 s VAL 114 Ca -0.09 -0.89 0.12 0.00 0.00 0.00 0.00 61.98 61.12 2wh2 s VAL 114 Cb -0.15 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 2wh2 s VAL 114 CO -0.00 0.24 -0.19 -0.70 0.00 0.00 0.00 175.10 174.45 2wh2 s GLU 115 N 1.37 1.70 -0.49 2.72 2.12 0.06 -0.92 118.70 125.27 2wh2 s GLU 115 Ca 0.02 -1.79 -0.24 0.00 0.36 0.00 0.00 54.97 53.31 2wh2 s GLU 115 Cb -0.16 -1.76 0.03 0.00 0.26 0.00 0.00 34.13 32.50 2wh2 s GLU 115 CO -0.04 0.30 0.86 -0.51 -0.54 0.00 0.00 175.26 175.34 2wh2 s LEU 116 N -3.52 4.17 0.10 2.70 1.43 -1.08 -1.06 118.68 121.42 2wh2 s LEU 116 Ca 0.30 -0.17 -0.17 0.00 -1.03 0.00 0.00 54.13 53.07 2wh2 s LEU 116 Cb -0.04 -2.96 -0.10 0.00 0.03 0.00 0.00 46.19 43.12 2wh2 s LEU 116 CO 0.15 -1.05 0.33 0.52 0.23 0.00 0.00 176.35 176.54 2wh2 n VAL 117 N 6.21 1.03 -1.90 -1.59 0.31 -0.74 -4.88 118.33 116.76 2wh2 n VAL 117 Ca 0.03 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 2wh2 n VAL 117 Cb 0.48 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 2wh2 n VAL 117 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72