#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 n HIS 3 N 0.00 -0.03 0.00 -1.55 8.25 -1.26 -4.74 115.22 115.89 2wh4 n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wh4 n HIS 3 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wh4 n HIS 3 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2wh4 n LEU 4 N 0.00 0.00 0.00 2.41 -0.00 -1.26 -4.74 117.00 113.41 2wh4 n LEU 4 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2wh4 n LEU 4 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.39 2wh4 n LEU 4 CO 0.00 0.00 0.18 0.29 -0.00 0.00 0.00 177.39 177.86 2wh4 n LYS 5 N -1.35 0.00 -2.53 1.96 4.01 -1.26 -4.60 118.16 114.39 2wh4 n LYS 5 Ca 0.00 0.00 -0.24 0.00 -0.51 0.00 0.00 58.31 57.56 2wh4 n LYS 5 Cb 0.00 -1.42 0.04 0.00 -0.51 0.00 0.00 35.03 33.13 2wh4 n LYS 5 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2wh4 s SER 6 N -1.84 5.37 -0.19 4.39 0.01 -1.26 -5.07 113.70 115.11 2wh4 s SER 6 Ca 0.00 0.38 -0.25 0.00 1.31 0.00 0.00 55.95 57.38 2wh4 s SER 6 Cb 0.00 -1.31 -0.01 0.00 0.21 0.00 0.00 66.02 64.91 2wh4 s SER 6 CO 0.00 -1.14 0.84 -0.83 0.41 0.00 0.00 173.24 172.52 2wh4 s GLY 7 N -4.37 2.01 0.05 3.44 0.00 -1.26 -4.92 107.32 102.27 2wh4 s GLY 7 Ca 0.55 0.01 0.00 0.00 0.00 0.00 0.00 44.72 45.28 2wh4 s GLY 7 CO 0.42 1.73 0.00 0.54 0.00 0.00 0.00 173.10 175.79 2wh4 n ARG 8 N 5.45 -0.45 -0.86 2.90 5.12 -1.26 -5.02 116.66 122.55 2wh4 n ARG 8 Ca 0.05 0.33 -0.34 0.00 -1.93 0.00 0.00 57.85 55.96 2wh4 n ARG 8 Cb 0.48 -0.83 0.10 0.00 -1.16 0.00 0.00 32.46 31.05 2wh4 n ARG 8 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2wh4 n LYS 9 N -0.51 -0.20 -3.15 5.56 2.85 -1.26 -5.06 118.16 116.39 2wh4 n LYS 9 Ca 0.00 -0.03 0.05 0.00 -1.05 0.00 0.00 58.31 57.28 2wh4 n LYS 9 Cb 0.00 -1.60 -0.01 0.00 -0.65 0.00 0.00 35.03 32.77 2wh4 n LYS 9 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2wh4 s LEU 10 N 1.60 -0.48 0.00 -5.58 1.43 -1.26 -5.12 118.68 109.27 2wh4 s LEU 10 Ca 0.52 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.86 2wh4 s LEU 10 Cb -0.20 1.37 0.05 0.00 0.03 0.00 0.00 46.19 47.43 2wh4 s LEU 10 CO 0.72 -0.09 0.39 -3.20 0.23 0.00 0.00 176.35 174.40 2wh4 n ASN 11 N 5.35 0.88 -0.51 2.29 2.85 -1.26 -4.95 115.26 119.91 2wh4 n ASN 11 Ca -0.01 -1.66 0.00 0.00 -0.11 0.00 0.00 54.58 52.80 2wh4 n ASN 11 Cb 0.55 -0.22 0.00 0.00 1.24 0.00 0.00 39.78 41.35 2wh4 n ASN 11 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2wh4 n ARG 12 N -1.64 0.00 -4.56 1.20 1.74 -1.26 -4.51 116.66 107.63 2wh4 n ARG 12 Ca 0.07 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.86 2wh4 n ARG 12 Cb 0.27 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.63 2wh4 n ARG 12 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2wh4 s HIS 13 N 0.00 2.20 0.00 -1.55 -3.43 -1.26 -4.84 115.29 106.41 2wh4 s HIS 13 Ca 0.00 -0.79 0.00 0.00 -0.80 0.00 0.00 55.06 53.47 2wh4 s HIS 13 Cb 0.00 -1.75 0.00 0.00 -1.43 0.00 0.00 32.58 29.40 2wh4 s HIS 13 CO 0.00 0.26 0.26 -1.13 -2.00 0.00 0.00 174.74 172.13 2wh4 n SER 14 N -1.18 0.00 0.19 7.38 3.41 -1.26 0.03 113.62 122.18 2wh4 n SER 14 Ca -0.10 0.26 -0.15 0.00 -0.26 0.00 0.00 58.87 58.63 2wh4 n SER 14 Cb 0.66 -0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 64.44 2wh4 n SER 14 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2wh4 h SER 15 N 0.00 -0.40 -0.08 4.04 4.64 -1.99 -2.10 113.55 117.66 2wh4 h SER 15 Ca 0.00 0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.36 2wh4 h SER 15 Cb 0.00 0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 62.15 2wh4 h SER 15 CO 0.00 -0.27 -0.44 -0.74 -0.87 0.00 0.00 176.83 174.51 2wh4 h HIS 16 N -0.43 -1.31 -1.00 4.77 -0.00 -1.75 0.62 115.15 116.05 2wh4 h HIS 16 Ca -0.03 0.05 0.20 0.00 -0.00 0.00 0.00 60.37 60.58 2wh4 h HIS 16 Cb 0.35 0.58 -0.19 0.00 -0.00 0.00 0.00 27.41 28.15 2wh4 h HIS 16 CO -0.08 -0.45 -0.25 -2.13 -0.00 0.00 0.00 177.93 175.03 2wh4 n ARG 17 N -4.88 -0.09 0.00 5.26 3.00 0.10 0.64 116.66 120.69 2wh4 n ARG 17 Ca -0.05 1.56 0.00 0.00 -0.00 0.00 0.00 57.85 59.35 2wh4 n ARG 17 Cb 0.31 -2.33 0.00 0.00 0.00 0.00 0.00 32.46 30.44 2wh4 n ARG 17 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2wh4 n LEU 18 N -5.63 0.11 -0.21 6.15 -0.00 -0.19 -2.50 117.00 114.74 2wh4 n LEU 18 Ca 0.16 0.68 0.12 0.00 -0.00 0.00 0.00 56.01 56.97 2wh4 n LEU 18 Cb 0.50 -0.21 0.23 0.00 -0.00 0.00 0.00 43.42 43.94 2wh4 n LEU 18 CO -0.12 -0.21 0.53 0.00 -0.00 0.00 0.00 177.39 177.59 2wh4 n ALA 19 N -1.13 0.40 0.10 1.96 0.00 0.20 0.09 120.51 122.12 2wh4 n ALA 19 Ca 0.00 0.65 -0.06 0.00 0.00 0.00 0.00 53.44 54.03 2wh4 n ALA 19 Cb 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 2wh4 n ALA 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wh4 h LEU 20 N 0.00 -0.48 -0.95 0.00 5.85 0.24 -1.44 115.31 118.53 2wh4 h LEU 20 Ca 0.41 0.04 0.27 0.00 0.84 0.00 0.00 57.88 59.44 2wh4 h LEU 20 Cb 0.93 0.16 -0.18 0.00 0.37 0.00 0.00 40.66 41.94 2wh4 h LEU 20 CO -0.55 -0.23 0.06 -1.22 -0.34 0.00 0.00 178.44 176.16 2wh4 n TYR 21 N -3.38 0.65 0.16 1.25 0.53 0.11 -0.95 117.16 115.54 2wh4 n TYR 21 Ca -0.04 1.14 -0.14 0.00 -1.02 0.00 0.00 57.90 57.84 2wh4 n TYR 21 Cb 0.16 -1.24 -0.08 0.00 -1.03 0.00 0.00 39.34 37.15 2wh4 n TYR 21 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2wh4 h ARG 22 N 0.00 -0.34 0.00 -0.72 3.08 -1.14 0.56 114.38 115.83 2wh4 h ARG 22 Ca 0.60 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.66 2wh4 h ARG 22 Cb 1.27 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.40 2wh4 h ARG 22 CO -0.88 -0.16 -0.05 -0.91 -1.07 0.00 0.00 179.97 176.90 2wh4 h ASN 23 N -0.44 0.00 1.32 7.04 -0.26 -0.01 0.99 115.58 124.22 2wh4 h ASN 23 Ca -0.04 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.63 2wh4 h ASN 23 Cb 0.33 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.58 2wh4 h ASN 23 CO 0.06 0.05 -0.70 1.56 -1.06 0.00 0.00 177.43 177.34 2wh4 h GLN 24 N 0.00 0.00 0.32 0.81 4.20 -0.78 -2.56 115.11 117.10 2wh4 h GLN 24 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2wh4 h GLN 24 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2wh4 h GLN 24 CO 0.01 0.24 -0.15 0.00 -0.67 0.00 0.00 178.83 178.25 2wh4 h ALA 25 N 1.69 -0.43 -0.85 3.87 0.00 0.42 -1.63 119.26 122.33 2wh4 h ALA 25 Ca -0.04 -0.09 0.19 0.00 0.00 0.00 0.00 54.91 54.96 2wh4 h ALA 25 Cb 1.27 0.16 -0.16 0.00 0.00 0.00 0.00 17.79 19.06 2wh4 h ALA 25 CO 0.03 -0.40 -0.13 0.87 0.00 0.00 0.00 179.25 179.62 2wh4 h LYS 26 N -1.11 0.02 0.58 0.00 1.57 -0.96 0.26 116.57 116.93 2wh4 h LYS 26 Ca -0.04 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2wh4 h LYS 26 Cb 0.33 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2wh4 h LYS 26 CO 0.07 0.01 -0.48 0.77 -0.57 0.00 0.00 179.45 179.26 2wh4 h SER 27 N 0.02 -1.27 -0.75 0.86 0.02 -1.47 0.45 113.55 111.41 2wh4 h SER 27 Ca 0.44 0.09 0.17 0.00 -0.84 0.00 0.00 61.79 61.65 2wh4 h SER 27 Cb 0.73 0.40 -0.12 0.00 0.14 0.00 0.00 62.40 63.55 2wh4 h SER 27 CO -0.84 -0.67 0.06 0.25 -1.14 0.00 0.00 176.83 174.50 2wh4 h LEU 28 N -1.03 -0.23 0.24 5.07 7.12 -0.05 -0.75 115.31 125.68 2wh4 h LEU 28 Ca -0.08 0.18 -0.01 0.00 0.13 0.00 0.00 57.88 58.10 2wh4 h LEU 28 Cb 0.86 0.30 0.00 0.00 -0.53 0.00 0.00 40.66 41.29 2wh4 h LEU 28 CO 0.00 -0.14 -0.11 -0.07 -0.13 0.00 0.00 178.44 177.99 2wh4 h LEU 29 N 0.15 -0.27 -0.33 2.25 4.07 -0.82 -2.65 115.31 117.70 2wh4 h LEU 29 Ca 0.42 -0.26 0.03 0.00 0.08 0.00 0.00 57.88 58.15 2wh4 h LEU 29 Cb 0.74 0.07 -0.05 0.00 1.08 0.00 0.00 40.66 42.50 2wh4 h LEU 29 CO -0.62 0.18 -0.27 0.74 -1.08 0.00 0.00 178.44 177.40 2wh4 h THR 30 N -0.79 0.00 0.00 0.22 2.02 0.63 -3.38 112.91 111.61 2wh4 h THR 30 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2wh4 h THR 30 Cb 0.51 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2wh4 h THR 30 CO 0.05 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.35 2wh4 n HIS 31 N -3.99 0.00 0.00 3.16 8.25 -0.36 -5.06 115.22 117.22 2wh4 n HIS 31 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wh4 n HIS 31 Cb 0.14 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 2wh4 n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wh4 n GLY 32 N 4.52 0.20 3.15 -1.41 0.00 -1.00 -4.99 105.19 105.66 2wh4 n GLY 32 Ca 0.00 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 2wh4 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh4 s ARG 33 N -1.00 1.00 0.10 1.61 3.00 -1.26 -2.57 118.95 119.84 2wh4 s ARG 33 Ca 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 55.73 55.02 2wh4 s ARG 33 Cb 0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 34.95 33.89 2wh4 s ARG 33 CO 0.00 0.26 -0.08 0.42 0.00 0.00 0.00 175.30 175.89 2wh4 s ILE 34 N -0.77 0.84 -0.13 1.52 -1.09 -0.07 -4.92 121.20 116.58 2wh4 s ILE 34 Ca 0.03 -1.79 0.03 0.00 -2.23 0.00 0.00 60.65 56.68 2wh4 s ILE 34 Cb -0.08 -1.52 0.01 0.00 -1.58 0.00 0.00 42.46 39.29 2wh4 s ILE 34 CO 0.01 -0.71 -0.22 -0.89 -1.23 0.00 0.00 174.94 171.90 2wh4 s THR 35 N -3.01 1.99 0.23 2.92 2.01 -1.26 -1.57 115.64 116.94 2wh4 s THR 35 Ca 0.09 -0.95 -0.05 0.00 0.31 0.00 0.00 61.69 61.09 2wh4 s THR 35 Cb 0.01 -1.76 0.02 0.00 0.01 0.00 0.00 72.50 70.78 2wh4 s THR 35 CO -0.02 0.54 0.39 0.35 -0.69 0.00 0.00 174.62 175.19 2wh4 n THR 36 N 3.98 0.00 -0.54 -0.82 -2.24 -1.19 -4.99 114.28 108.48 2wh4 n THR 36 Ca -0.20 -0.84 -0.29 0.00 -2.27 0.00 0.00 64.05 60.45 2wh4 n THR 36 Cb 0.52 0.63 0.24 0.00 -2.10 0.00 0.00 70.33 69.62 2wh4 n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wh4 s THR 37 N -2.56 2.02 0.04 4.28 -4.23 -1.26 -0.66 115.64 113.26 2wh4 s THR 37 Ca 0.14 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.41 2wh4 s THR 37 Cb -0.02 -2.02 -0.18 0.00 1.34 0.00 0.00 72.50 71.62 2wh4 s THR 37 CO 0.10 -0.01 1.51 0.58 -0.54 0.00 0.00 174.62 176.26 2wh4 h VAL 38 N -2.51 1.15 -0.01 2.29 2.07 -1.83 -2.48 116.25 114.93 2wh4 h VAL 38 Ca -0.58 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 2wh4 h VAL 38 Cb 1.32 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 2wh4 h VAL 38 CO 0.48 0.14 -0.00 -0.65 0.02 0.00 0.00 177.57 177.55 2wh4 h PRO 39 N -0.26 0.02 0.00 1.57 0.11 -1.91 0.26 132.00 131.79 2wh4 h PRO 39 Ca -0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2wh4 h PRO 39 Cb 0.25 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.36 2wh4 h PRO 39 CO 0.00 0.41 0.47 -0.22 -0.21 0.00 0.00 178.00 178.45 2wh4 h LYS 40 N -0.37 0.00 0.00 1.05 3.64 -1.93 -1.48 116.57 117.48 2wh4 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wh4 h LYS 40 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2wh4 h LYS 40 CO 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 179.45 176.82 2wh4 n ALA 41 N -1.81 0.31 0.00 5.00 0.00 -0.89 -3.58 120.51 119.55 2wh4 n ALA 41 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2wh4 n ALA 41 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2wh4 n ALA 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wh4 n LYS 42 N -3.80 0.00 -0.10 0.00 5.02 0.88 0.17 118.16 120.33 2wh4 n LYS 42 Ca -0.05 0.05 -0.18 0.00 -2.02 0.00 0.00 58.31 56.12 2wh4 n LYS 42 Cb 0.19 -1.56 -0.09 0.00 -0.02 0.00 0.00 35.03 33.54 2wh4 n LYS 42 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2wh4 n GLU 43 N -0.85 0.49 -0.30 1.97 4.07 -0.65 -4.52 120.64 120.85 2wh4 n GLU 43 Ca 0.00 0.15 0.08 0.00 -0.06 0.00 0.00 57.16 57.33 2wh4 n GLU 43 Cb 0.06 -1.36 0.24 0.00 -0.06 0.00 0.00 31.44 30.33 2wh4 n GLU 43 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2wh4 h LEU 44 N -0.30 0.54 0.00 4.31 7.12 -0.33 -3.06 115.31 123.60 2wh4 h LEU 44 Ca -0.49 0.10 0.00 0.00 0.13 0.00 0.00 57.88 57.62 2wh4 h LEU 44 Cb 1.62 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.76 2wh4 h LEU 44 CO -0.17 0.21 0.00 -2.11 -0.13 0.00 0.00 178.44 176.24 2wh4 n ARG 45 N -4.87 0.00 -0.31 1.25 1.85 -1.09 -0.80 116.66 112.68 2wh4 n ARG 45 Ca 0.18 0.60 0.14 0.00 -1.00 0.00 0.00 57.85 57.77 2wh4 n ARG 45 Cb 0.47 -0.98 0.33 0.00 -1.05 0.00 0.00 32.46 31.23 2wh4 n ARG 45 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2wh4 h GLY 46 N 0.00 1.62 0.69 2.89 0.00 -1.81 -2.35 103.07 104.10 2wh4 h GLY 46 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 2wh4 h GLY 46 CO 0.00 -0.27 -0.33 -2.75 0.00 0.00 0.00 176.54 173.19 2wh4 h PHE 47 N 0.43 -0.86 -0.12 5.60 3.57 -1.02 -3.13 116.94 121.42 2wh4 h PHE 47 Ca 0.58 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 62.10 2wh4 h PHE 47 Cb 1.11 0.28 -0.07 0.00 2.79 0.00 0.00 35.95 40.07 2wh4 h PHE 47 CO -0.11 -0.53 -0.44 0.28 -2.23 0.00 0.00 178.31 175.28 2wh4 h VAL 48 N -0.93 0.13 -0.71 1.41 2.07 -1.03 -2.81 116.25 114.37 2wh4 h VAL 48 Ca -0.09 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.49 2wh4 h VAL 48 Cb 0.71 0.13 -0.09 0.00 -1.52 0.00 0.00 31.29 30.52 2wh4 h VAL 48 CO 0.16 0.00 -0.41 0.47 0.02 0.00 0.00 177.57 177.80 2wh4 n ASP 49 N -5.44 -0.74 -0.21 0.57 10.43 -0.90 0.61 116.55 120.87 2wh4 n ASP 49 Ca -0.04 1.26 -0.00 0.00 2.57 0.00 0.00 54.79 58.58 2wh4 n ASP 49 Cb 0.37 -0.17 0.07 0.00 1.84 0.00 0.00 41.12 43.23 2wh4 n ASP 49 CO 0.00 0.00 0.00 -0.74 -1.07 0.00 0.00 177.20 175.39 2wh4 h HIS 50 N 0.00 -0.25 -0.18 1.24 2.76 -1.44 0.27 115.15 117.55 2wh4 h HIS 50 Ca 0.12 0.05 0.01 0.00 -2.20 0.00 0.00 60.37 58.35 2wh4 h HIS 50 Cb 0.30 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 2wh4 h HIS 50 CO -0.73 -0.24 0.12 -0.07 -1.30 0.00 0.00 177.93 175.71 2wh4 h LEU 51 N 0.03 0.18 0.17 0.26 4.07 0.20 0.20 115.31 120.42 2wh4 h LEU 51 Ca 0.31 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.25 2wh4 h LEU 51 Cb 0.48 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.18 2wh4 h LEU 51 CO -0.61 0.13 -0.08 0.40 -1.08 0.00 0.00 178.44 177.19 2wh4 h ILE 52 N 0.21 0.00 -0.25 1.22 1.08 0.43 -1.49 117.51 118.70 2wh4 h ILE 52 Ca 0.07 -0.15 0.07 0.00 -0.39 0.00 0.00 64.86 64.46 2wh4 h ILE 52 Cb 0.03 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.77 2wh4 h ILE 52 CO -0.01 0.00 0.51 -0.74 -0.69 0.00 0.00 178.15 177.22 2wh4 h HIS 53 N -0.38 0.00 0.17 1.37 2.76 -0.56 1.23 115.15 119.74 2wh4 h HIS 53 Ca -0.02 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 57.84 2wh4 h HIS 53 Cb 0.18 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.15 2wh4 h HIS 53 CO 0.08 0.00 -1.45 1.25 -1.30 0.00 0.00 177.93 176.52 2wh4 h LEU 54 N 0.00 0.56 0.00 0.26 5.85 -0.58 -2.85 115.31 118.55 2wh4 h LEU 54 Ca 0.12 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 58.18 2wh4 h LEU 54 Cb 1.14 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2wh4 h LEU 54 CO -0.00 1.53 0.00 0.00 -0.34 0.00 0.00 178.44 179.63 2wh4 n ALA 55 N -2.66 2.29 0.09 1.25 0.00 0.35 -2.88 120.51 118.96 2wh4 n ALA 55 Ca -0.15 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.06 2wh4 n ALA 55 Cb 1.06 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 18.98 2wh4 n ALA 55 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wh4 h LYS 56 N 0.00 -0.16 -7.42 0.00 1.63 0.89 -3.41 116.57 108.09 2wh4 h LYS 56 Ca 0.00 0.01 -0.44 0.00 -0.85 0.00 0.00 60.65 59.37 2wh4 h LYS 56 Cb 0.43 0.04 0.17 0.00 -0.60 0.00 0.00 32.23 32.26 2wh4 h LYS 56 CO 0.00 -0.03 0.20 1.03 -3.45 0.00 0.00 179.45 177.20 2wh4 s ARG 57 N -5.81 -0.04 -0.06 1.90 0.52 -1.14 -5.00 118.95 109.31 2wh4 s ARG 57 Ca -0.14 0.20 0.04 0.00 -0.52 0.00 0.00 55.73 55.31 2wh4 s ARG 57 Cb 0.05 -1.71 -0.06 0.00 0.52 0.00 0.00 34.95 33.74 2wh4 s ARG 57 CO 0.65 -2.98 -0.00 0.41 0.02 0.00 0.00 175.30 173.39 2wh4 n GLY 58 N -1.41 -0.23 0.00 -3.53 0.00 -1.26 -4.93 105.19 93.82 2wh4 n GLY 58 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wh4 n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wh4 n ASP 59 N -2.36 0.00 0.32 1.61 3.85 -1.26 -4.58 116.55 114.13 2wh4 n ASP 59 Ca -0.10 0.00 0.19 0.00 -0.71 0.00 0.00 54.79 54.17 2wh4 n ASP 59 Cb 0.67 0.00 1.08 0.00 -1.35 0.00 0.00 41.12 41.52 2wh4 n ASP 59 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 2wh4 h LEU 60 N 0.00 0.00 0.12 -2.12 6.46 -2.00 -2.51 115.31 115.27 2wh4 h LEU 60 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2wh4 h LEU 60 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2wh4 h LEU 60 CO 0.00 0.00 -0.06 -0.74 -0.62 0.00 0.00 178.44 177.02 2wh4 h HIS 61 N 0.00 -0.15 -1.34 1.25 2.76 -2.00 -2.18 115.15 113.50 2wh4 h HIS 61 Ca 0.00 -0.00 0.43 0.00 -2.20 0.00 0.00 60.37 58.60 2wh4 h HIS 61 Cb 0.04 0.05 -0.12 0.00 1.55 0.00 0.00 27.41 28.93 2wh4 h HIS 61 CO 0.00 -0.09 0.87 0.00 -1.30 0.00 0.00 177.93 177.41 2wh4 h ALA 62 N -1.90 2.78 0.71 5.26 0.00 -1.77 0.75 119.26 125.09 2wh4 h ALA 62 Ca -0.02 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2wh4 h ALA 62 Cb 0.12 0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2wh4 h ALA 62 CO 0.03 -1.38 -0.34 -0.09 0.00 0.00 0.00 179.25 177.46 2wh4 h ARG 63 N 0.10 -0.92 0.00 0.00 2.43 -1.32 -0.61 114.38 114.06 2wh4 h ARG 63 Ca 0.80 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 60.03 2wh4 h ARG 63 Cb 2.56 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 32.31 2wh4 h ARG 63 CO -0.37 -0.61 0.16 0.54 -1.51 0.00 0.00 179.97 178.18 2wh4 n ARG 64 N -4.70 0.04 -0.07 0.20 1.74 0.21 -0.17 116.66 113.91 2wh4 n ARG 64 Ca -0.12 0.46 -0.07 0.00 -0.77 0.00 0.00 57.85 57.35 2wh4 n ARG 64 Cb 0.38 -1.80 -0.03 0.00 -1.02 0.00 0.00 32.46 29.98 2wh4 n ARG 64 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2wh4 h LEU 65 N 0.00 0.00 -2.17 0.55 4.07 -0.88 -3.10 115.31 113.78 2wh4 h LEU 65 Ca 0.00 -0.12 0.07 0.00 0.08 0.00 0.00 57.88 57.91 2wh4 h LEU 65 Cb 0.32 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 2wh4 h LEU 65 CO 0.00 0.84 0.25 0.58 -1.08 0.00 0.00 178.44 179.03 2wh4 h VAL 66 N -1.00 0.47 0.00 1.22 2.07 -0.12 0.52 116.25 119.41 2wh4 h VAL 66 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2wh4 h VAL 66 Cb 0.58 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2wh4 h VAL 66 CO -0.04 0.00 0.00 0.25 0.02 0.00 0.00 177.57 177.80 2wh4 h LEU 67 N 0.00 0.00 -0.46 2.57 5.85 -0.66 -2.60 115.31 120.01 2wh4 h LEU 67 Ca 0.11 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.67 2wh4 h LEU 67 Cb 0.60 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 2wh4 h LEU 67 CO -0.00 0.00 -0.77 0.03 -0.34 0.00 0.00 178.44 177.36 2wh4 h ARG 68 N 0.00 0.03 0.00 1.25 3.08 0.14 -3.39 114.38 115.49 2wh4 h ARG 68 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2wh4 h ARG 68 Cb 0.62 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2wh4 h ARG 68 CO 0.00 0.78 0.00 -0.25 -1.07 0.00 0.00 179.97 179.43 2wh4 n ASP 69 N -3.65 0.00 -4.66 7.04 10.43 -1.13 -4.79 116.55 119.80 2wh4 n ASP 69 Ca -0.01 0.05 -0.42 0.00 2.57 0.00 0.00 54.79 56.98 2wh4 n ASP 69 Cb 0.74 -0.10 -0.03 0.00 1.84 0.00 0.00 41.12 43.57 2wh4 n ASP 69 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2wh4 s LEU 70 N -2.44 4.33 0.00 0.64 1.43 -0.99 -4.84 118.68 116.80 2wh4 s LEU 70 Ca 0.00 2.37 0.27 0.00 -1.03 0.00 0.00 54.13 55.75 2wh4 s LEU 70 Cb 0.00 -3.53 0.94 0.00 0.03 0.00 0.00 46.19 43.63 2wh4 s LEU 70 CO 0.00 -1.02 1.68 1.67 0.23 0.00 0.00 176.35 178.91 2wh4 n GLN 71 N 7.36 0.96 -2.82 1.70 -0.06 -1.26 -4.32 117.38 118.93 2wh4 n GLN 71 Ca 0.19 -0.51 -0.42 0.00 -2.00 0.00 0.00 57.00 54.26 2wh4 n GLN 71 Cb 0.42 -1.49 -0.04 0.00 -4.06 0.00 0.00 30.24 25.08 2wh4 n GLN 71 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2wh4 s ASP 72 N -2.39 6.78 0.05 1.69 3.68 -1.26 -4.93 116.67 120.28 2wh4 s ASP 72 Ca 0.28 0.83 -0.25 0.00 2.13 0.00 0.00 52.55 55.54 2wh4 s ASP 72 Cb 0.20 -2.46 -0.17 0.00 -1.45 0.00 0.00 42.92 39.04 2wh4 s ASP 72 CO 0.47 -0.71 1.54 0.58 0.13 0.00 0.00 175.17 177.19 2wh4 h VAL 73 N 5.64 0.94 0.00 1.11 2.07 -1.97 -0.34 116.25 123.70 2wh4 h VAL 73 Ca -0.23 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2wh4 h VAL 73 Cb 1.08 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2wh4 h VAL 73 CO 0.94 0.08 0.00 1.17 0.02 0.00 0.00 177.57 179.78 2wh4 n LYS 74 N -5.10 0.13 -0.11 1.57 4.81 -1.26 -1.71 118.16 116.48 2wh4 n LYS 74 Ca -0.09 0.20 -0.15 0.00 -0.87 0.00 0.00 58.31 57.40 2wh4 n LYS 74 Cb 0.16 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 33.57 2wh4 n LYS 74 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2wh4 n LEU 75 N -1.29 1.87 -0.28 3.14 -0.00 -0.76 -4.20 117.00 115.49 2wh4 n LEU 75 Ca 0.04 -0.07 0.12 0.00 -0.00 0.00 0.00 56.01 56.11 2wh4 n LEU 75 Cb 0.08 -0.40 0.37 0.00 -0.00 0.00 0.00 43.42 43.47 2wh4 n LEU 75 CO 0.07 0.77 1.22 1.62 -0.00 0.00 0.00 177.39 181.07 2wh4 h VAL 76 N 0.00 0.83 0.00 1.96 3.04 -0.20 -2.47 116.25 119.42 2wh4 h VAL 76 Ca -0.56 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 64.89 2wh4 h VAL 76 Cb 2.03 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 2wh4 h VAL 76 CO -0.04 0.13 0.00 0.54 -1.01 0.00 0.00 177.57 177.19 2wh4 n ARG 77 N -4.57 0.00 -0.15 4.17 1.74 -1.19 -1.80 116.66 114.86 2wh4 n ARG 77 Ca 0.18 0.53 0.15 0.00 -0.77 0.00 0.00 57.85 57.94 2wh4 n ARG 77 Cb 0.47 -1.42 0.28 0.00 -1.02 0.00 0.00 32.46 30.77 2wh4 n ARG 77 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2wh4 n LYS 78 N -1.96 -0.03 0.00 5.56 4.81 -0.96 -1.36 118.16 124.22 2wh4 n LYS 78 Ca 0.00 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 2wh4 n LYS 78 Cb 0.00 -1.17 0.00 0.00 0.02 0.00 0.00 35.03 33.88 2wh4 n LYS 78 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2wh4 n LEU 79 N -4.05 1.38 -0.15 3.14 0.00 -0.78 -1.04 117.00 115.50 2wh4 n LEU 79 Ca 0.18 0.27 -0.04 0.00 0.00 0.00 0.00 56.01 56.42 2wh4 n LEU 79 Cb 0.62 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 44.00 2wh4 n LEU 79 CO 0.01 0.00 0.49 -0.26 0.00 0.00 0.00 177.39 177.63 2wh4 h PHE 80 N 0.00 -0.72 -3.55 1.96 0.04 -0.41 0.98 116.94 115.24 2wh4 h PHE 80 Ca 0.00 0.05 -0.79 0.00 2.80 0.00 0.00 57.97 60.02 2wh4 h PHE 80 Cb 0.00 0.36 -0.28 0.00 2.20 0.00 0.00 35.95 38.23 2wh4 h PHE 80 CO 0.00 -0.15 0.41 0.16 -0.60 0.00 0.00 178.31 178.13 2wh4 s ASP 81 N -3.92 7.23 0.00 2.17 3.84 -0.84 -3.87 116.67 121.29 2wh4 s ASP 81 Ca -0.05 -3.61 0.00 0.00 -0.00 0.00 0.00 52.55 48.90 2wh4 s ASP 81 Cb 0.04 -2.19 0.00 0.00 -1.38 0.00 0.00 42.92 39.39 2wh4 s ASP 81 CO 0.24 -0.28 0.00 1.21 -0.00 0.00 0.00 175.17 176.34 2wh4 n GLU 82 N 2.67 0.00 0.01 2.11 2.13 -1.22 -4.63 120.64 121.72 2wh4 n GLU 82 Ca 0.24 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.84 2wh4 n GLU 82 Cb 0.39 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.96 2wh4 n GLU 82 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2wh4 h ILE 83 N 0.00 1.07 -0.49 6.31 1.08 -0.27 -3.38 117.51 121.83 2wh4 h ILE 83 Ca 0.00 -2.41 -0.13 0.00 -0.39 0.00 0.00 64.86 61.93 2wh4 h ILE 83 Cb 0.00 2.75 -0.01 0.00 -3.07 0.00 0.00 36.82 36.49 2wh4 h ILE 83 CO 0.00 0.70 -0.19 0.00 -0.69 0.00 0.00 178.15 177.97 2wh4 h ALA 84 N -0.04 0.73 -0.83 1.87 0.00 -0.96 -3.20 119.26 116.83 2wh4 h ALA 84 Ca -0.29 -0.38 0.17 0.00 0.00 0.00 0.00 54.91 54.41 2wh4 h ALA 84 Cb 1.75 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 19.26 2wh4 h ALA 84 CO 0.07 0.67 0.36 -1.35 0.00 0.00 0.00 179.25 179.00 2wh4 h PRO 85 N 0.86 0.47 0.00 0.00 0.11 -1.75 -0.43 132.00 131.26 2wh4 h PRO 85 Ca 0.12 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2wh4 h PRO 85 Cb 0.76 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2wh4 h PRO 85 CO 0.06 0.31 0.00 0.54 -0.21 0.00 0.00 178.00 178.70 2wh4 n ARG 86 N -4.98 0.00 -0.18 1.05 1.74 -1.21 -1.00 116.66 112.08 2wh4 n ARG 86 Ca 0.17 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.27 2wh4 n ARG 86 Cb 0.49 -1.38 0.02 0.00 -1.02 0.00 0.00 32.46 30.57 2wh4 n ARG 86 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2wh4 n TYR 87 N -0.88 0.00 -0.20 -1.55 4.01 -0.17 -4.88 117.16 113.49 2wh4 n TYR 87 Ca 0.00 -0.21 -0.02 0.00 -0.16 0.00 0.00 57.90 57.50 2wh4 n TYR 87 Cb 0.00 -0.05 0.04 0.00 -0.31 0.00 0.00 39.34 39.03 2wh4 n TYR 87 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2wh4 h ARG 88 N 0.00 -0.07 -1.43 -0.72 1.12 -1.04 -1.39 114.38 110.85 2wh4 h ARG 88 Ca 0.00 0.00 -0.71 0.00 -1.11 0.00 0.00 59.98 58.16 2wh4 h ARG 88 Cb 1.06 0.02 -0.28 0.00 -0.01 0.00 0.00 29.97 30.76 2wh4 h ARG 88 CO 0.00 -0.04 0.95 -0.25 -3.11 0.00 0.00 179.97 177.51 2wh4 n ASP 89 N -5.44 7.62 -4.17 -3.80 8.00 -1.26 -4.92 116.55 112.58 2wh4 n ASP 89 Ca 0.06 -3.80 -0.30 0.00 0.71 0.00 0.00 54.79 51.46 2wh4 n ASP 89 Cb 0.34 -1.02 -0.17 0.00 -0.02 0.00 0.00 41.12 40.25 2wh4 n ASP 89 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2wh4 s ARG 90 N -3.89 2.68 -1.27 -1.24 3.52 -0.53 -5.05 118.95 113.17 2wh4 s ARG 90 Ca 0.59 -0.76 -0.08 0.00 -0.13 0.00 0.00 55.73 55.34 2wh4 s ARG 90 Cb 0.48 -2.06 0.17 0.00 -1.56 0.00 0.00 34.95 31.98 2wh4 s ARG 90 CO -0.18 0.15 1.91 0.94 -0.81 0.00 0.00 175.30 177.31 2wh4 n GLN 91 N 3.56 3.80 -0.09 5.12 7.27 -1.26 -4.96 117.38 130.82 2wh4 n GLN 91 Ca -0.20 -3.60 0.01 0.00 0.07 0.00 0.00 57.00 53.29 2wh4 n GLN 91 Cb 0.53 -2.86 -0.00 0.00 2.41 0.00 0.00 30.24 30.31 2wh4 n GLN 91 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2wh4 n GLY 92 N 2.55 -2.10 3.38 1.69 0.00 -1.26 -4.98 105.19 104.47 2wh4 n GLY 92 Ca 0.41 -1.43 -0.17 0.00 0.00 0.00 0.00 46.02 44.83 2wh4 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh4 n GLY 93 N -0.72 -0.43 0.29 -0.02 0.00 -1.26 -4.88 105.19 98.18 2wh4 n GLY 93 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.17 2wh4 n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wh4 n TYR 94 N -4.00 0.12 -3.70 1.61 4.02 -1.26 -4.85 117.16 109.10 2wh4 n TYR 94 Ca -0.26 -0.05 -0.12 0.00 -0.01 0.00 0.00 57.90 57.45 2wh4 n TYR 94 Cb 0.66 -0.05 -0.07 0.00 -0.02 0.00 0.00 39.34 39.87 2wh4 n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2wh4 s THR 95 N -1.65 0.07 0.25 -0.72 -1.32 -1.26 -1.89 115.64 109.11 2wh4 s THR 95 Ca 0.04 -0.55 0.11 0.00 -1.21 0.00 0.00 61.69 60.08 2wh4 s THR 95 Cb 0.03 -0.95 -0.05 0.00 -1.51 0.00 0.00 72.50 70.02 2wh4 s THR 95 CO 0.02 -0.31 -0.20 -0.60 -2.21 0.00 0.00 174.62 171.33 2wh4 s ARG 96 N -2.55 1.58 -0.26 7.08 3.52 -0.11 -4.72 118.95 123.48 2wh4 s ARG 96 Ca -0.05 -1.67 -0.02 0.00 -0.13 0.00 0.00 55.73 53.86 2wh4 s ARG 96 Cb -0.01 -1.68 0.12 0.00 -1.56 0.00 0.00 34.95 31.82 2wh4 s ARG 96 CO -0.03 0.32 0.25 0.08 -0.81 0.00 0.00 175.30 175.11 2wh4 s VAL 97 N -2.36 -0.33 -0.17 7.11 1.01 -1.24 -0.82 120.40 123.59 2wh4 s VAL 97 Ca 0.26 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 2wh4 s VAL 97 Cb -0.05 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 2wh4 s VAL 97 CO 0.12 -0.42 -0.02 -0.76 0.00 0.00 0.00 175.10 174.03 2wh4 s LEU 98 N 2.31 3.31 0.22 3.92 1.43 0.00 -4.89 118.68 124.98 2wh4 s LEU 98 Ca 0.09 -0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.76 2wh4 s LEU 98 Cb -0.15 -1.81 -0.08 0.00 0.03 0.00 0.00 46.19 44.18 2wh4 s LEU 98 CO -0.27 0.15 1.03 -0.54 0.23 0.00 0.00 176.35 176.95 2wh4 s LYS 99 N 0.50 4.71 0.61 1.70 1.02 -1.26 0.52 119.74 127.54 2wh4 s LYS 99 Ca -0.02 1.63 0.02 0.00 0.02 0.00 0.00 55.97 57.62 2wh4 s LYS 99 Cb -0.14 -3.26 0.07 0.00 -0.52 0.00 0.00 37.83 33.98 2wh4 s LYS 99 CO 0.02 0.28 0.84 -0.51 -0.92 0.00 0.00 175.35 175.07 2wh4 s LEU 100 N -0.92 3.17 0.32 3.17 1.43 -0.96 -4.89 118.68 120.00 2wh4 s LEU 100 Ca 0.45 -0.29 0.07 0.00 -1.03 0.00 0.00 54.13 53.33 2wh4 s LEU 100 Cb -0.28 -2.35 -0.02 0.00 0.03 0.00 0.00 46.19 43.57 2wh4 s LEU 100 CO 0.35 -1.41 0.37 0.00 0.23 0.00 0.00 176.35 175.89 2wh4 s ALA 101 N -2.86 4.02 0.14 4.21 0.00 -1.26 -4.74 121.76 121.26 2wh4 s ALA 101 Ca 0.61 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2wh4 s ALA 101 Cb -0.08 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.60 2wh4 s ALA 101 CO 0.40 0.02 0.00 0.39 0.00 0.00 0.00 175.76 176.57 2wh4 n GLU 102 N -1.49 -4.53 -3.41 0.00 1.02 -1.26 -4.93 120.64 106.05 2wh4 n GLU 102 Ca -0.02 3.31 -0.20 0.00 -0.02 0.00 0.00 57.16 60.23 2wh4 n GLU 102 Cb 0.59 -3.60 -0.01 0.00 -0.02 0.00 0.00 31.44 28.40 2wh4 n GLU 102 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2wh4 s ARG 103 N -1.03 2.58 -0.19 3.49 1.70 -1.26 -4.51 118.95 119.72 2wh4 s ARG 103 Ca 0.00 -1.50 -0.28 0.00 -0.47 0.00 0.00 55.73 53.48 2wh4 s ARG 103 Cb 0.00 -2.47 -0.05 0.00 -0.57 0.00 0.00 34.95 31.85 2wh4 s ARG 103 CO 0.00 -0.29 2.11 0.50 -1.08 0.00 0.00 175.30 176.55 2wh4 s ARG 104 N -4.23 3.32 -0.77 3.89 3.52 -0.87 -4.80 118.95 119.01 2wh4 s ARG 104 Ca 0.50 2.03 -0.21 0.00 -0.13 0.00 0.00 55.73 57.92 2wh4 s ARG 104 Cb -0.05 -4.31 0.10 0.00 -1.56 0.00 0.00 34.95 29.13 2wh4 s ARG 104 CO 0.29 -1.89 1.01 1.03 -0.81 0.00 0.00 175.30 174.94 2wh4 s ARG 105 N 5.94 3.31 0.00 5.12 0.52 -1.26 -1.06 118.95 131.52 2wh4 s ARG 105 Ca 0.95 -1.28 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 2wh4 s ARG 105 Cb -0.33 -4.53 0.00 0.00 0.52 0.00 0.00 34.95 30.61 2wh4 s ARG 105 CO 0.36 -1.77 0.00 0.41 0.02 0.00 0.00 175.30 174.31 2wh4 n GLY 106 N 5.41 0.00 0.00 -3.53 0.00 -1.26 -4.85 105.19 100.95 2wh4 n GLY 106 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2wh4 n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wh4 n ASP 107 N 0.00 0.00 -3.92 1.61 3.85 -1.23 -5.04 116.55 111.83 2wh4 n ASP 107 Ca 0.00 0.00 -0.33 0.00 -0.71 0.00 0.00 54.79 53.75 2wh4 n ASP 107 Cb 0.00 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 39.78 2wh4 n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2wh4 n GLY 108 N 0.00 -0.70 3.17 6.12 0.00 -0.22 -4.92 105.19 108.63 2wh4 n GLY 108 Ca 0.00 0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 2wh4 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh4 s ALA 109 N -3.68 2.65 0.23 4.61 0.00 -1.00 -4.90 121.76 119.67 2wh4 s ALA 109 Ca 0.31 -1.52 -0.31 0.00 0.00 0.00 0.00 51.96 50.44 2wh4 s ALA 109 Cb -0.17 -1.65 -0.14 0.00 0.00 0.00 0.00 23.12 21.16 2wh4 s ALA 109 CO 0.74 -0.88 1.21 -0.35 0.00 0.00 0.00 175.76 176.48 2wh4 n PRO 110 N 4.62 1.52 -3.63 0.00 -0.04 -1.26 -2.05 135.00 134.15 2wh4 n PRO 110 Ca -0.16 0.54 -0.21 0.00 -0.04 0.00 0.00 63.50 63.63 2wh4 n PRO 110 Cb 0.46 -2.06 -0.03 0.00 -0.04 0.00 0.00 33.50 31.83 2wh4 n PRO 110 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wh4 s LEU 111 N 0.36 3.54 0.36 1.53 1.43 -1.26 -3.20 118.68 121.44 2wh4 s LEU 111 Ca 0.68 -0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 53.19 2wh4 s LEU 111 Cb -0.74 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.26 2wh4 s LEU 111 CO 0.54 -0.51 0.48 0.00 0.23 0.00 0.00 176.35 177.09 2wh4 s ALA 112 N -2.37 0.86 -0.10 4.21 0.00 0.17 -2.27 121.76 122.26 2wh4 s ALA 112 Ca 0.45 -1.57 0.02 0.00 0.00 0.00 0.00 51.96 50.86 2wh4 s ALA 112 Cb -0.05 1.16 0.01 0.00 0.00 0.00 0.00 23.12 24.24 2wh4 s ALA 112 CO 0.28 -0.79 -0.16 -1.17 0.00 0.00 0.00 175.76 173.92 2wh4 s LEU 113 N -3.26 1.76 -0.25 0.00 2.96 0.19 -3.15 118.68 116.92 2wh4 s LEU 113 Ca 0.31 -0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 53.76 2wh4 s LEU 113 Cb -0.01 -1.10 0.02 0.00 0.50 0.00 0.00 46.19 45.61 2wh4 s LEU 113 CO 0.22 0.03 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.55 2wh4 s VAL 114 N 0.88 3.10 0.28 1.68 1.01 -0.61 -0.82 120.40 125.92 2wh4 s VAL 114 Ca -0.09 -0.92 0.12 0.00 0.00 0.00 0.00 61.98 61.08 2wh4 s VAL 114 Cb -0.15 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 2wh4 s VAL 114 CO 0.00 0.20 -0.18 -0.70 0.00 0.00 0.00 175.10 174.42 2wh4 s GLU 115 N 1.37 1.72 -0.48 2.72 2.12 -0.00 -0.89 118.70 125.25 2wh4 s GLU 115 Ca 0.01 -1.77 -0.24 0.00 0.36 0.00 0.00 54.97 53.34 2wh4 s GLU 115 Cb -0.16 -1.78 0.03 0.00 0.26 0.00 0.00 34.13 32.47 2wh4 s GLU 115 CO -0.03 0.32 0.85 -0.51 -0.54 0.00 0.00 175.26 175.35 2wh4 s LEU 116 N -3.52 4.19 0.10 2.70 1.43 -1.06 -0.93 118.68 121.57 2wh4 s LEU 116 Ca 0.30 -0.14 -0.18 0.00 -1.03 0.00 0.00 54.13 53.09 2wh4 s LEU 116 Cb -0.05 -2.97 -0.10 0.00 0.03 0.00 0.00 46.19 43.10 2wh4 s LEU 116 CO 0.15 -1.02 0.36 0.52 0.23 0.00 0.00 176.35 176.59 2wh4 n VAL 117 N 6.20 0.97 -1.98 -1.59 0.31 -0.79 -4.88 118.33 116.58 2wh4 n VAL 117 Ca 0.03 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2wh4 n VAL 117 Cb 0.48 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 2wh4 n VAL 117 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72