#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wro n HIS 3 N 0.00 0.00 -1.59 2.89 8.25 -1.26 -4.87 115.22 118.64 2wro n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wro n HIS 3 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wro n HIS 3 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2wro n LEU 4 N 0.00 0.00 -0.63 2.41 7.94 -1.26 -4.55 117.00 120.91 2wro n LEU 4 Ca 0.00 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.03 2wro n LEU 4 Cb 0.00 0.00 0.27 0.00 0.53 0.00 0.00 43.42 44.22 2wro n LEU 4 CO 0.00 0.00 0.67 0.29 -1.11 0.00 0.00 177.39 177.24 2wro n LYS 5 N -0.60 1.75 -3.67 1.96 4.01 -1.26 -4.84 118.16 115.50 2wro n LYS 5 Ca 0.00 -1.28 -0.15 0.00 -0.51 0.00 0.00 58.31 56.38 2wro n LYS 5 Cb 0.00 -1.47 -0.07 0.00 -0.51 0.00 0.00 35.03 32.97 2wro n LYS 5 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2wro s SER 6 N -2.13 -0.34 0.00 4.39 0.15 -1.26 -5.18 113.70 109.32 2wro s SER 6 Ca 0.30 0.25 0.00 0.00 0.70 0.00 0.00 55.95 57.20 2wro s SER 6 Cb 0.20 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 2wro s SER 6 CO 0.38 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2wro n GLY 7 N 1.01 -2.03 1.51 9.45 0.00 -1.26 -4.98 105.19 108.88 2wro n GLY 7 Ca -0.20 -1.34 -0.00 0.00 0.00 0.00 0.00 46.02 44.48 2wro n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wro n ARG 8 N 0.00 -0.03 -2.31 1.61 3.00 -1.26 -5.03 116.66 112.64 2wro n ARG 8 Ca 0.00 0.52 -0.34 0.00 -0.01 0.00 0.00 57.85 58.02 2wro n ARG 8 Cb 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 32.46 31.42 2wro n ARG 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 2wro s LYS 9 N -0.36 3.51 0.00 5.56 -2.85 -1.26 -5.06 119.74 119.28 2wro s LYS 9 Ca -0.00 1.41 0.00 0.00 -1.00 0.00 0.00 55.97 56.38 2wro s LYS 9 Cb 0.00 -2.05 0.00 0.00 -2.06 0.00 0.00 37.83 33.72 2wro s LYS 9 CO 0.01 -0.68 0.00 1.28 0.10 0.00 0.00 175.35 176.05 2wro n LEU 10 N -1.36 0.00 0.00 2.77 4.77 -1.26 -5.14 117.00 116.77 2wro n LEU 10 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2wro n LEU 10 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2wro n LEU 10 CO 0.42 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.28 2wro n ASN 11 N -0.11 0.00 0.00 -1.43 2.85 -1.26 -5.12 115.26 110.19 2wro n ASN 11 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2wro n ASN 11 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2wro n ASN 11 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2wro n ARG 12 N -1.62 0.00 -3.01 1.20 1.74 -1.26 -4.81 116.66 108.90 2wro n ARG 12 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 2wro n ARG 12 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 2wro n ARG 12 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 2wro n HIS 13 N 0.00 0.44 0.00 -1.55 1.44 -1.26 -5.02 115.22 109.27 2wro n HIS 13 Ca 0.00 -0.95 0.00 0.00 -2.01 0.00 0.00 57.72 54.76 2wro n HIS 13 Cb 0.00 -0.12 0.00 0.00 0.12 0.00 0.00 29.99 29.99 2wro n HIS 13 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2wro n SER 14 N -1.14 0.00 -0.44 4.39 2.88 -1.26 -1.52 113.62 116.53 2wro n SER 14 Ca -0.08 0.17 0.39 0.00 -1.33 0.00 0.00 58.87 58.02 2wro n SER 14 Cb 0.24 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.43 2wro n SER 14 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2wro h SER 15 N 0.00 0.09 1.74 -3.46 4.64 -2.00 2.87 113.55 117.44 2wro h SER 15 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2wro h SER 15 Cb 0.00 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2wro h SER 15 CO 0.00 -0.02 0.00 -0.74 -0.87 0.00 0.00 176.83 175.20 2wro h HIS 16 N 0.06 0.00 0.00 4.77 -0.00 -2.00 -1.34 115.15 116.65 2wro h HIS 16 Ca 0.71 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 61.05 2wro h HIS 16 Cb 2.61 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 30.02 2wro h HIS 16 CO -0.00 0.00 -0.21 -0.09 -0.00 0.00 0.00 177.93 177.63 2wro h ARG 17 N 0.00 0.00 -0.69 5.26 2.43 0.60 -3.30 114.38 118.68 2wro h ARG 17 Ca 0.00 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.31 2wro h ARG 17 Cb 0.87 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.29 2wro h ARG 17 CO 0.00 0.47 -0.16 1.25 -1.51 0.00 0.00 179.97 180.03 2wro h LEU 18 N -1.00 -0.61 -1.45 3.80 7.12 -0.39 -0.68 115.31 122.09 2wro h LEU 18 Ca -0.04 0.20 0.00 0.00 0.13 0.00 0.00 57.88 58.17 2wro h LEU 18 Cb 0.57 0.42 0.00 0.00 -0.53 0.00 0.00 40.66 41.12 2wro h LEU 18 CO -0.02 -0.22 0.00 0.00 -0.13 0.00 0.00 178.44 178.06 2wro h ALA 19 N 1.69 1.00 0.00 1.25 0.00 -1.40 -2.15 119.26 119.64 2wro h ALA 19 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2wro h ALA 19 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2wro h ALA 19 CO -0.70 0.00 0.00 -0.11 0.00 0.00 0.00 179.25 178.44 2wro n LEU 20 N -2.90 0.00 -0.14 0.00 7.94 -0.26 0.48 117.00 122.12 2wro n LEU 20 Ca 0.01 0.37 -0.28 0.00 -1.11 0.00 0.00 56.01 55.00 2wro n LEU 20 Cb 0.26 -0.37 -0.10 0.00 0.53 0.00 0.00 43.42 43.74 2wro n LEU 20 CO 0.25 -0.25 -1.43 -1.22 -1.11 0.00 0.00 177.39 173.63 2wro n TYR 21 N -1.37 0.00 0.30 1.96 4.02 -0.81 -3.50 117.16 117.76 2wro n TYR 21 Ca 0.04 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.10 2wro n TYR 21 Cb 0.09 -0.98 0.74 0.00 -0.02 0.00 0.00 39.34 39.17 2wro n TYR 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wro h ARG 22 N -0.83 0.00 0.11 -0.72 3.08 -1.36 0.27 114.38 114.94 2wro h ARG 22 Ca -0.68 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.07 2wro h ARG 22 Cb 1.65 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.70 2wro h ARG 22 CO -0.37 0.00 -1.49 -0.91 -1.07 0.00 0.00 179.97 176.13 2wro h ASN 23 N 0.00 0.38 0.00 7.04 -0.26 -0.16 -3.11 115.58 119.47 2wro h ASN 23 Ca 0.00 -0.51 -0.02 0.00 -0.56 0.00 0.00 56.30 55.21 2wro h ASN 23 Cb 0.40 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 37.53 2wro h ASN 23 CO 0.00 1.42 -0.28 1.56 -1.06 0.00 0.00 177.43 179.07 2wro h GLN 24 N 0.07 0.00 -1.31 0.81 4.20 -1.51 -0.21 115.11 117.16 2wro h GLN 24 Ca -0.22 0.00 0.38 0.00 0.06 0.00 0.00 58.65 58.86 2wro h GLN 24 Cb 2.00 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.73 2wro h GLN 24 CO 0.16 0.20 1.05 0.00 -0.67 0.00 0.00 178.83 179.58 2wro h ALA 25 N -0.84 3.21 0.03 3.87 0.00 -0.67 1.37 119.26 126.23 2wro h ALA 25 Ca -0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wro h ALA 25 Cb 0.40 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2wro h ALA 25 CO -0.02 -1.73 -0.02 0.87 0.00 0.00 0.00 179.25 178.36 2wro h LYS 26 N 0.00 -0.04 -1.19 0.00 1.57 -1.58 -0.63 116.57 114.70 2wro h LYS 26 Ca 0.62 0.00 0.36 0.00 -1.87 0.00 0.00 60.65 59.76 2wro h LYS 26 Cb 2.72 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 34.93 2wro h LYS 26 CO -0.01 -0.03 0.76 0.77 -0.57 0.00 0.00 179.45 180.38 2wro h SER 27 N -0.32 0.33 0.00 0.86 0.02 0.14 -2.79 113.55 111.79 2wro h SER 27 Ca -0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2wro h SER 27 Cb 0.03 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2wro h SER 27 CO 0.01 -0.08 0.00 -0.11 -1.14 0.00 0.00 176.83 175.51 2wro n LEU 28 N -4.68 0.25 -4.52 5.07 0.00 0.43 -3.91 117.00 109.64 2wro n LEU 28 Ca 0.32 0.47 -0.14 0.00 0.00 0.00 0.00 56.01 56.67 2wro n LEU 28 Cb 1.19 -0.46 -0.10 0.00 0.00 0.00 0.00 43.42 44.05 2wro n LEU 28 CO 0.22 -0.46 1.29 -0.11 0.00 0.00 0.00 177.39 178.33 2wro n LEU 29 N -1.87 1.03 0.00 -1.96 7.94 -0.24 0.76 117.00 122.66 2wro n LEU 29 Ca 0.00 -1.59 0.00 0.00 -1.11 0.00 0.00 56.01 53.31 2wro n LEU 29 Cb 0.00 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.48 2wro n LEU 29 CO 0.00 -2.67 0.00 1.07 -1.11 0.00 0.00 177.39 174.68 2wro n THR 30 N 8.19 0.00 -0.05 1.96 5.66 -1.26 -4.72 114.28 124.06 2wro n THR 30 Ca 0.46 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.36 2wro n THR 30 Cb 0.40 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.15 2wro n THR 30 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2wro n HIS 31 N 0.00 0.00 0.00 1.09 8.25 0.23 -5.03 115.22 119.76 2wro n HIS 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wro n HIS 31 Cb 0.00 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 30.75 2wro n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wro n GLY 32 N 2.53 2.25 3.56 -1.41 0.00 0.11 -4.90 105.19 107.33 2wro n GLY 32 Ca -0.19 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 2wro n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wro s ARG 33 N 0.00 3.04 0.08 1.61 0.52 -1.26 -3.31 118.95 119.63 2wro s ARG 33 Ca 0.00 -0.37 0.07 0.00 -0.52 0.00 0.00 55.73 54.91 2wro s ARG 33 Cb 0.00 -4.83 -0.03 0.00 0.52 0.00 0.00 34.95 30.61 2wro s ARG 33 CO 0.00 -2.61 -0.19 0.42 0.02 0.00 0.00 175.30 172.94 2wro s ILE 34 N 7.29 1.56 -0.26 1.52 -1.09 -0.86 -5.02 121.20 124.34 2wro s ILE 34 Ca 0.54 -1.39 -0.04 0.00 -2.23 0.00 0.00 60.65 57.53 2wro s ILE 34 Cb -0.06 -1.41 0.10 0.00 -1.58 0.00 0.00 42.46 39.50 2wro s ILE 34 CO 0.04 -0.03 0.15 -0.89 -1.23 0.00 0.00 174.94 172.99 2wro s THR 35 N -1.08 -0.15 0.39 2.92 2.01 -1.26 -1.59 115.64 116.87 2wro s THR 35 Ca 0.05 -0.53 0.05 0.00 0.31 0.00 0.00 61.69 61.57 2wro s THR 35 Cb -0.10 -0.87 -0.07 0.00 0.01 0.00 0.00 72.50 71.48 2wro s THR 35 CO 0.03 -0.55 0.03 0.42 -0.69 0.00 0.00 174.62 173.87 2wro s THR 36 N 2.17 1.62 1.04 -0.82 -4.23 -1.16 -4.95 115.64 109.31 2wro s THR 36 Ca 0.07 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.45 2wro s THR 36 Cb -0.16 -2.86 0.15 0.00 1.34 0.00 0.00 72.50 70.98 2wro s THR 36 CO -0.28 0.00 0.70 0.35 -0.54 0.00 0.00 174.62 174.85 2wro n THR 37 N -0.89 0.00 0.00 3.99 -2.24 -1.26 -1.97 114.28 111.91 2wro n THR 37 Ca -0.05 -0.23 -0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2wro n THR 37 Cb 0.67 -0.83 -0.00 0.00 -2.10 0.00 0.00 70.33 68.07 2wro n THR 37 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2wro h VAL 38 N -2.08 0.00 0.15 2.28 2.07 -1.80 0.15 116.25 117.02 2wro h VAL 38 Ca -0.51 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2wro h VAL 38 Cb 1.31 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2wro h VAL 38 CO 0.41 0.00 -0.33 -0.65 0.02 0.00 0.00 177.57 177.02 2wro h PRO 39 N -0.00 -0.51 -1.44 1.57 0.11 -1.93 0.33 132.00 130.13 2wro h PRO 39 Ca -0.00 0.03 0.48 0.00 0.11 0.00 0.00 66.00 66.63 2wro h PRO 39 Cb 0.00 0.12 -0.13 0.00 0.11 0.00 0.00 31.00 31.10 2wro h PRO 39 CO -0.00 -0.34 0.94 -0.22 -0.21 0.00 0.00 178.00 178.17 2wro h LYS 40 N -0.53 0.02 0.00 1.05 3.64 -1.93 0.17 116.57 118.98 2wro h LYS 40 Ca -0.01 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2wro h LYS 40 Cb 0.51 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2wro h LYS 40 CO -0.14 0.01 0.00 0.00 -2.27 0.00 0.00 179.45 177.05 2wro n ALA 41 N -2.57 -0.23 -0.73 5.00 0.00 0.53 -2.94 120.51 119.58 2wro n ALA 41 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2wro n ALA 41 Cb 1.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 21.05 2wro n ALA 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wro n LYS 42 N -1.88 0.00 0.14 0.00 5.02 0.98 0.11 118.16 122.54 2wro n LYS 42 Ca 0.00 0.35 0.02 0.00 -2.02 0.00 0.00 58.31 56.66 2wro n LYS 42 Cb 0.00 -0.71 0.09 0.00 -0.02 0.00 0.00 35.03 34.39 2wro n LYS 42 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2wro n GLU 43 N -0.83 0.03 0.00 1.97 4.07 -0.64 0.48 120.64 125.72 2wro n GLU 43 Ca 0.00 0.45 0.13 0.00 -0.06 0.00 0.00 57.16 57.68 2wro n GLU 43 Cb 0.00 -2.19 0.60 0.00 -0.06 0.00 0.00 31.44 29.79 2wro n GLU 43 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2wro n LEU 44 N -1.74 0.00 0.00 4.31 -0.00 0.31 -4.31 117.00 115.57 2wro n LEU 44 Ca -0.00 0.45 0.00 0.00 -0.00 0.00 0.00 56.01 56.46 2wro n LEU 44 Cb 0.59 -0.45 0.00 0.00 -0.00 0.00 0.00 43.42 43.56 2wro n LEU 44 CO 0.02 -0.04 0.00 -2.11 -0.00 0.00 0.00 177.39 175.26 2wro n ARG 45 N -1.45 0.00 0.00 1.96 1.85 1.73 -1.60 116.66 119.14 2wro n ARG 45 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 2wro n ARG 45 Cb 0.29 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.70 2wro n ARG 45 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wro n GLY 46 N 0.00 0.00 0.32 2.89 0.00 -1.26 0.17 105.19 107.31 2wro n GLY 46 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2wro n GLY 46 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2wro h PHE 47 N 0.00 -0.77 -0.01 1.61 3.57 -1.75 0.70 116.94 120.29 2wro h PHE 47 Ca 0.00 0.06 -0.16 0.00 3.53 0.00 0.00 57.97 61.41 2wro h PHE 47 Cb 0.00 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 2wro h PHE 47 CO 0.00 -0.36 -0.73 -0.24 -2.23 0.00 0.00 178.31 174.75 2wro h VAL 48 N -0.15 1.49 -0.40 1.41 3.04 0.27 -2.84 116.25 119.07 2wro h VAL 48 Ca 0.23 -2.42 -0.13 0.00 -1.01 0.00 0.00 66.70 63.37 2wro h VAL 48 Cb 0.53 2.31 -0.01 0.00 -2.01 0.00 0.00 31.29 32.11 2wro h VAL 48 CO -0.63 0.70 -0.26 0.44 -1.01 0.00 0.00 177.57 176.80 2wro h ASP 49 N 0.05 0.92 -0.02 3.17 5.19 -0.43 -2.45 116.42 122.85 2wro h ASP 49 Ca -0.01 -0.43 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2wro h ASP 49 Cb 1.29 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.55 2wro h ASP 49 CO 0.10 1.15 0.00 1.57 -3.12 0.00 0.00 179.24 178.94 2wro n HIS 50 N -4.17 0.02 0.03 4.55 -0.00 0.16 -2.59 115.22 113.23 2wro n HIS 50 Ca -0.02 -0.01 -0.05 0.00 0.46 0.00 0.00 57.72 58.10 2wro n HIS 50 Cb 0.47 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.24 2wro n HIS 50 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2wro h LEU 51 N 0.24 0.00 0.00 0.27 5.85 -1.19 -3.36 115.31 117.13 2wro h LEU 51 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 2wro h LEU 51 Cb 0.05 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2wro h LEU 51 CO 0.00 0.85 -1.81 -0.38 -0.34 0.00 0.00 178.44 176.76 2wro n ILE 52 N -3.11 0.76 0.27 4.05 2.08 -1.07 -4.00 119.36 118.33 2wro n ILE 52 Ca -0.08 -0.65 0.15 0.00 0.56 0.00 0.00 62.75 62.73 2wro n ILE 52 Cb 0.94 -0.37 0.87 0.00 -0.75 0.00 0.00 39.64 40.33 2wro n ILE 52 CO 0.00 0.00 0.00 -0.74 0.56 0.00 0.00 176.55 176.37 2wro h HIS 53 N 0.00 0.00 0.00 1.39 2.76 -1.66 1.57 115.15 119.21 2wro h HIS 53 Ca -0.18 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 2wro h HIS 53 Cb 1.48 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.44 2wro h HIS 53 CO 0.00 0.00 -0.82 1.28 -1.30 0.00 0.00 177.93 177.09 2wro n LEU 54 N -3.89 0.65 -0.06 0.26 4.32 -1.26 -3.12 117.00 113.90 2wro n LEU 54 Ca -0.02 0.10 -0.06 0.00 -0.02 0.00 0.00 56.01 56.01 2wro n LEU 54 Cb 0.15 -0.14 0.14 0.00 -1.62 0.00 0.00 43.42 41.94 2wro n LEU 54 CO 0.28 -0.00 0.74 0.00 -1.22 0.00 0.00 177.39 177.19 2wro h ALA 55 N 2.54 0.98 -3.00 -1.18 0.00 0.20 -2.95 119.26 115.86 2wro h ALA 55 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2wro h ALA 55 Cb 0.73 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2wro h ALA 55 CO 0.00 0.60 0.00 1.63 0.00 0.00 0.00 179.25 181.48 2wro n LYS 56 N -4.13 0.00 0.00 0.00 5.02 0.23 -2.31 118.16 116.96 2wro n LYS 56 Ca 0.00 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 2wro n LYS 56 Cb 0.40 -0.62 0.00 0.00 -0.02 0.00 0.00 35.03 34.80 2wro n LYS 56 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2wro n ARG 57 N -0.16 0.00 0.00 1.97 1.85 -1.25 -4.75 116.66 114.33 2wro n ARG 57 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2wro n ARG 57 Cb 0.00 -1.10 0.00 0.00 -1.05 0.00 0.00 32.46 30.31 2wro n ARG 57 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wro n GLY 58 N -0.29 0.00 3.77 2.89 0.00 -0.98 -4.82 105.19 105.75 2wro n GLY 58 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2wro n GLY 58 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2wro s ASP 59 N 0.00 5.87 0.00 1.61 3.84 -1.26 -4.93 116.67 121.80 2wro s ASP 59 Ca 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 52.55 52.83 2wro s ASP 59 Cb 0.00 -1.85 0.00 0.00 -1.38 0.00 0.00 42.92 39.69 2wro s ASP 59 CO 0.00 0.35 0.00 -0.11 -0.00 0.00 0.00 175.17 175.41 2wro n LEU 60 N 2.37 0.00 -0.14 2.11 7.94 -1.26 0.13 117.00 128.14 2wro n LEU 60 Ca -0.19 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.62 2wro n LEU 60 Cb 0.54 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.48 2wro n LEU 60 CO 0.31 0.00 0.89 -0.74 -1.11 0.00 0.00 177.39 176.74 2wro h HIS 61 N 0.00 0.65 0.00 1.96 2.76 -1.95 -2.32 115.15 116.26 2wro h HIS 61 Ca 0.00 -0.07 -0.00 0.00 -2.20 0.00 0.00 60.37 58.10 2wro h HIS 61 Cb 0.00 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 28.77 2wro h HIS 61 CO 0.00 0.61 -0.01 0.00 -1.30 0.00 0.00 177.93 177.22 2wro h ALA 62 N 0.97 1.83 -2.44 5.26 0.00 0.69 -1.60 119.26 123.97 2wro h ALA 62 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2wro h ALA 62 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2wro h ALA 62 CO -0.00 0.02 0.00 0.54 0.00 0.00 0.00 179.25 179.80 2wro n ARG 63 N -4.31 0.00 -0.33 0.00 1.74 -0.88 -1.57 116.66 111.31 2wro n ARG 63 Ca -0.03 0.29 0.11 0.00 -0.77 0.00 0.00 57.85 57.45 2wro n ARG 63 Cb 0.10 -1.09 0.29 0.00 -1.02 0.00 0.00 32.46 30.74 2wro n ARG 63 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wro h ARG 64 N 0.00 0.67 0.00 5.56 3.08 -1.53 1.01 114.38 123.17 2wro h ARG 64 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2wro h ARG 64 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.90 2wro h ARG 64 CO 0.00 0.45 0.14 1.25 -1.07 0.00 0.00 179.97 180.73 2wro h LEU 65 N 0.69 0.00 0.00 3.04 5.85 -1.16 -2.41 115.31 121.32 2wro h LEU 65 Ca 0.54 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.95 2wro h LEU 65 Cb 0.83 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 2wro h LEU 65 CO -0.39 0.00 -2.01 0.52 -0.34 0.00 0.00 178.44 176.22 2wro n VAL 66 N -2.43 1.26 0.25 1.05 0.31 0.31 -4.43 118.33 114.65 2wro n VAL 66 Ca -0.02 -0.23 0.05 0.00 -0.01 0.00 0.00 64.34 64.14 2wro n VAL 66 Cb 0.18 -1.87 0.29 0.00 -0.91 0.00 0.00 33.84 31.54 2wro n VAL 66 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wro h LEU 67 N -0.80 0.00 0.00 7.52 -0.00 -0.07 -1.57 115.31 120.39 2wro h LEU 67 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 2wro h LEU 67 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.04 2wro h LEU 67 CO -0.29 0.00 0.00 0.54 -0.00 0.00 0.00 178.44 178.69 2wro n ARG 68 N -2.31 0.00 0.17 1.13 1.74 -0.98 -3.52 116.66 112.88 2wro n ARG 68 Ca -0.01 0.38 -0.14 0.00 -0.77 0.00 0.00 57.85 57.31 2wro n ARG 68 Cb 0.62 -1.21 -0.07 0.00 -1.02 0.00 0.00 32.46 30.78 2wro n ARG 68 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2wro h ASP 69 N 0.00 -0.70 -2.81 0.55 3.45 -1.59 -3.35 116.42 111.97 2wro h ASP 69 Ca 0.00 0.07 -0.55 0.00 0.43 0.00 0.00 57.03 56.98 2wro h ASP 69 Cb 0.00 0.24 -0.07 0.00 -0.56 0.00 0.00 39.33 38.94 2wro h ASP 69 CO 0.00 -0.37 1.06 -0.76 -1.57 0.00 0.00 179.24 177.59 2wro s LEU 70 N -10.22 3.36 0.00 1.55 1.43 -0.99 -4.85 118.68 108.95 2wro s LEU 70 Ca -0.16 0.05 0.30 0.00 -1.03 0.00 0.00 54.13 53.28 2wro s LEU 70 Cb 0.07 -2.96 1.39 0.00 0.03 0.00 0.00 46.19 44.72 2wro s LEU 70 CO 0.64 -1.68 1.98 1.67 0.23 0.00 0.00 176.35 179.19 2wro n GLN 71 N 8.78 0.36 -3.58 1.70 -0.06 -1.23 -4.16 117.38 119.18 2wro n GLN 71 Ca 0.09 -0.03 -0.37 0.00 -2.00 0.00 0.00 57.00 54.69 2wro n GLN 71 Cb 0.49 -1.50 -0.09 0.00 -4.06 0.00 0.00 30.24 25.08 2wro n GLN 71 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2wro s ASP 72 N -2.66 6.17 0.05 1.69 -0.00 -1.26 -4.98 116.67 115.68 2wro s ASP 72 Ca 0.25 0.18 -0.22 0.00 -0.00 0.00 0.00 52.55 52.76 2wro s ASP 72 Cb 0.20 -2.14 -0.14 0.00 -0.00 0.00 0.00 42.92 40.85 2wro s ASP 72 CO 0.49 0.01 1.49 0.58 -0.00 0.00 0.00 175.17 177.74 2wro h VAL 73 N 5.09 1.24 0.00 -1.27 2.07 -1.97 -3.21 116.25 118.20 2wro h VAL 73 Ca -0.37 -0.77 -0.60 0.00 0.82 0.00 0.00 66.70 65.78 2wro h VAL 73 Cb 1.17 1.53 0.02 0.00 -1.52 0.00 0.00 31.29 32.49 2wro h VAL 73 CO 0.65 0.22 3.24 1.17 0.02 0.00 0.00 177.57 182.88 2wro n LYS 74 N -4.81 3.45 0.00 1.57 3.00 -1.26 -1.32 118.16 118.79 2wro n LYS 74 Ca -0.06 -2.02 0.00 0.00 -0.00 0.00 0.00 58.31 56.23 2wro n LYS 74 Cb 0.19 -2.68 0.00 0.00 0.00 0.00 0.00 35.03 32.54 2wro n LYS 74 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2wro n LEU 75 N 3.42 0.00 -0.04 3.14 -0.00 -1.21 -4.72 117.00 117.59 2wro n LEU 75 Ca 0.74 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 56.54 2wro n LEU 75 Cb 0.33 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.62 2wro n LEU 75 CO 0.75 0.00 -0.40 1.62 -0.00 0.00 0.00 177.39 179.37 2wro h VAL 76 N 0.00 1.04 0.14 1.96 3.04 -1.21 -2.97 116.25 118.25 2wro h VAL 76 Ca 0.00 -2.30 0.00 0.00 -1.01 0.00 0.00 66.70 63.39 2wro h VAL 76 Cb 0.00 2.59 -0.02 0.00 -2.01 0.00 0.00 31.29 31.86 2wro h VAL 76 CO 0.00 0.56 -0.25 0.03 -1.01 0.00 0.00 177.57 176.91 2wro h ARG 77 N -0.62 -0.40 0.00 4.17 2.47 -1.77 0.46 114.38 118.70 2wro h ARG 77 Ca -0.29 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 2wro h ARG 77 Cb 1.52 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.93 2wro h ARG 77 CO -0.05 -0.26 0.00 1.17 0.56 0.00 0.00 179.97 181.39 2wro n LYS 78 N -3.84 0.00 0.04 0.04 4.81 -1.25 -2.14 118.16 115.81 2wro n LYS 78 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 2wro n LYS 78 Cb 0.21 -0.97 0.00 0.00 0.02 0.00 0.00 35.03 34.28 2wro n LYS 78 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2wro n LEU 79 N -0.01 0.53 -0.19 3.14 -0.00 0.12 -4.43 117.00 116.16 2wro n LEU 79 Ca 0.00 0.12 -0.08 0.00 -0.00 0.00 0.00 56.01 56.05 2wro n LEU 79 Cb 0.00 -0.12 0.02 0.00 -0.00 0.00 0.00 43.42 43.31 2wro n LEU 79 CO 0.00 -0.49 0.96 -0.26 -0.00 0.00 0.00 177.39 177.60 2wro h PHE 80 N 0.00 0.83 -0.66 1.96 0.04 0.11 -0.46 116.94 118.75 2wro h PHE 80 Ca 0.00 -0.07 -0.29 0.00 2.80 0.00 0.00 57.97 60.41 2wro h PHE 80 Cb 0.34 -0.25 -0.18 0.00 2.20 0.00 0.00 35.95 38.07 2wro h PHE 80 CO 0.00 0.68 0.37 -0.25 -0.60 0.00 0.00 178.31 178.52 2wro n ASP 81 N -4.51 3.74 0.04 2.17 8.00 -1.01 -4.20 116.55 120.78 2wro n ASP 81 Ca 0.02 -3.06 0.00 0.00 0.71 0.00 0.00 54.79 52.46 2wro n ASP 81 Cb 0.17 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 2wro n ASP 81 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2wro n GLU 82 N -0.44 0.00 0.11 -1.24 1.02 -1.07 -4.96 120.64 114.05 2wro n GLU 82 Ca 0.38 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.65 2wro n GLU 82 Cb 1.26 0.00 0.39 0.00 -0.02 0.00 0.00 31.44 33.08 2wro n GLU 82 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2wro n ILE 83 N -2.68 0.61 0.13 -3.67 2.08 -0.28 -4.04 119.36 111.51 2wro n ILE 83 Ca 0.00 -0.30 -0.06 0.00 0.56 0.00 0.00 62.75 62.96 2wro n ILE 83 Cb 0.00 -0.58 -0.03 0.00 -0.75 0.00 0.00 39.64 38.28 2wro n ILE 83 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wro h ALA 84 N 2.51 -0.56 -0.17 -1.39 0.00 -1.47 -3.36 119.26 114.82 2wro h ALA 84 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2wro h ALA 84 Cb 0.75 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 2wro h ALA 84 CO 0.00 -0.54 -0.33 -1.35 0.00 0.00 0.00 179.25 177.03 2wro h PRO 85 N -0.70 -0.37 -0.05 0.00 0.11 -1.77 -2.70 132.00 126.51 2wro h PRO 85 Ca -0.04 0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.11 2wro h PRO 85 Cb 0.29 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 2wro h PRO 85 CO 0.06 -0.25 -0.01 0.54 -0.21 0.00 0.00 178.00 178.14 2wro n ARG 86 N -5.41 -0.00 0.00 1.05 1.74 -1.26 -2.82 116.66 109.96 2wro n ARG 86 Ca -0.03 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2wro n ARG 86 Cb 0.33 -0.12 0.00 0.00 -1.02 0.00 0.00 32.46 31.65 2wro n ARG 86 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2wro n TYR 87 N -4.01 0.00 0.00 -1.55 4.01 -1.02 -4.79 117.16 109.80 2wro n TYR 87 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2wro n TYR 87 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 2wro n TYR 87 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2wro n ARG 88 N 0.00 0.00 0.18 -0.72 0.00 -1.13 -3.35 116.66 111.65 2wro n ARG 88 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.85 57.91 2wro n ARG 88 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 32.46 32.73 2wro n ARG 88 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2wro h ASP 89 N 0.00 0.00 -2.48 6.15 3.32 -1.87 -3.39 116.42 118.15 2wro h ASP 89 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 2wro h ASP 89 Cb 0.00 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.44 2wro h ASP 89 CO 0.00 0.35 0.85 -0.60 -1.72 0.00 0.00 179.24 178.12 2wro s ARG 90 N -3.38 3.16 -0.84 3.56 3.52 -1.21 -4.96 118.95 118.79 2wro s ARG 90 Ca 0.02 -0.48 -0.13 0.00 -0.13 0.00 0.00 55.73 55.00 2wro s ARG 90 Cb 0.09 -4.20 0.22 0.00 -1.56 0.00 0.00 34.95 29.50 2wro s ARG 90 CO 0.69 -2.02 0.78 -0.65 -0.81 0.00 0.00 175.30 173.29 2wro s GLN 91 N 5.06 3.61 0.00 5.12 -0.21 -1.26 -4.88 119.66 127.10 2wro s GLN 91 Ca 0.30 -2.52 0.00 0.00 0.02 0.00 0.00 55.36 53.16 2wro s GLN 91 Cb -0.12 -4.41 0.00 0.00 1.00 0.00 0.00 33.01 29.48 2wro s GLN 91 CO 0.13 -1.28 0.00 0.41 -2.12 0.00 0.00 175.29 172.43 2wro n GLY 92 N 3.86 2.47 1.09 3.09 0.00 -1.26 -5.07 105.19 109.37 2wro n GLY 92 Ca 0.14 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.70 2wro n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wro n GLY 93 N 1.75 0.87 1.33 -0.02 0.00 -1.26 -4.97 105.19 102.88 2wro n GLY 93 Ca 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 46.02 45.63 2wro n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wro n TYR 94 N -1.09 1.23 -3.50 1.61 0.53 -1.26 -4.89 117.16 109.79 2wro n TYR 94 Ca 0.00 -0.52 -0.12 0.00 -1.02 0.00 0.00 57.90 56.25 2wro n TYR 94 Cb 0.38 -0.37 -0.03 0.00 -1.03 0.00 0.00 39.34 38.28 2wro n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.02 0.00 0.00 176.86 175.76 2wro s THR 95 N -1.95 0.00 0.22 -0.72 -1.32 -1.26 -4.49 115.64 106.12 2wro s THR 95 Ca 0.30 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.90 2wro s THR 95 Cb 0.23 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 70.18 2wro s THR 95 CO 0.08 0.00 -0.22 -0.60 -2.21 0.00 0.00 174.62 171.67 2wro s ARG 96 N -2.53 1.55 -0.17 7.08 3.52 -1.23 -4.99 118.95 122.17 2wro s ARG 96 Ca -0.01 -1.60 -0.05 0.00 -0.13 0.00 0.00 55.73 53.95 2wro s ARG 96 Cb -0.01 -1.77 0.06 0.00 -1.56 0.00 0.00 34.95 31.67 2wro s ARG 96 CO -0.04 0.36 0.08 0.08 -0.81 0.00 0.00 175.30 174.97 2wro s VAL 97 N -1.99 0.00 -0.03 7.11 1.01 -1.25 -3.13 120.40 122.12 2wro s VAL 97 Ca 0.23 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.04 2wro s VAL 97 Cb -0.07 -0.64 -0.00 0.00 0.00 0.00 0.00 36.38 35.67 2wro s VAL 97 CO 0.11 -0.27 -0.14 -0.76 0.00 0.00 0.00 175.10 174.05 2wro s LEU 98 N 2.10 1.90 0.02 3.92 1.43 -0.31 -4.89 118.68 122.85 2wro s LEU 98 Ca 0.02 -0.28 -0.20 0.00 -1.03 0.00 0.00 54.13 52.64 2wro s LEU 98 Cb -0.16 -0.78 -0.06 0.00 0.03 0.00 0.00 46.19 45.22 2wro s LEU 98 CO -0.09 0.13 0.58 -1.59 0.23 0.00 0.00 176.35 175.62 2wro s LYS 99 N 0.00 4.28 0.12 1.70 0.00 -1.26 0.24 119.74 124.82 2wro s LYS 99 Ca -0.01 0.73 0.01 0.00 0.00 0.00 0.00 55.97 56.70 2wro s LYS 99 Cb -0.09 -3.31 0.02 0.00 0.00 0.00 0.00 37.83 34.45 2wro s LYS 99 CO 0.01 0.46 0.16 1.28 0.00 0.00 0.00 175.35 177.26 2wro n LEU 100 N 2.38 0.00 -4.73 2.77 7.99 -1.23 -4.93 117.00 119.24 2wro n LEU 100 Ca -0.08 -0.46 -0.28 0.00 -0.01 0.00 0.00 56.01 55.19 2wro n LEU 100 Cb 0.51 -0.09 -0.08 0.00 -0.11 0.00 0.00 43.42 43.65 2wro n LEU 100 CO 0.43 -0.55 -0.20 0.00 -1.51 0.00 0.00 177.39 175.56 2wro s ALA 101 N -2.30 3.68 -0.13 -1.18 0.00 -1.26 -4.86 121.76 115.71 2wro s ALA 101 Ca 0.12 -1.67 -0.03 0.00 0.00 0.00 0.00 51.96 50.38 2wro s ALA 101 Cb -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.96 2wro s ALA 101 CO 0.08 -0.15 0.11 0.39 0.00 0.00 0.00 175.76 176.19 2wro n GLU 102 N -1.22 -1.02 0.00 0.00 1.02 -1.26 -4.99 120.64 113.17 2wro n GLU 102 Ca -0.07 1.18 0.00 0.00 -0.02 0.00 0.00 57.16 58.26 2wro n GLU 102 Cb 0.66 -2.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.31 2wro n GLU 102 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wro n ARG 103 N -0.12 0.00 -3.16 3.49 5.12 -1.26 -4.86 116.66 115.87 2wro n ARG 103 Ca 0.02 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 55.99 2wro n ARG 103 Cb 0.09 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.36 2wro n ARG 103 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2wro s ARG 104 N 0.00 0.07 -0.56 5.56 3.52 -1.23 -4.61 118.95 121.69 2wro s ARG 104 Ca 0.00 0.13 -0.26 0.00 -0.13 0.00 0.00 55.73 55.47 2wro s ARG 104 Cb 0.00 0.07 -0.07 0.00 -1.56 0.00 0.00 34.95 33.39 2wro s ARG 104 CO 0.00 -0.06 2.34 1.03 -0.81 0.00 0.00 175.30 177.80 2wro s ARG 105 N 2.78 2.07 0.00 5.12 0.52 -1.26 -2.36 118.95 125.82 2wro s ARG 105 Ca -0.06 1.13 0.00 0.00 -0.52 0.00 0.00 55.73 56.28 2wro s ARG 105 Cb -0.07 -4.61 0.00 0.00 0.52 0.00 0.00 34.95 30.79 2wro s ARG 105 CO -0.10 -3.43 0.00 0.41 0.02 0.00 0.00 175.30 172.20 2wro n GLY 106 N 6.13 1.37 1.86 -3.53 0.00 -1.26 -5.00 105.19 104.76 2wro n GLY 106 Ca 0.37 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.40 2wro n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wro n ASP 107 N 0.00 0.64 -2.73 1.61 3.85 -1.00 -5.03 116.55 113.90 2wro n ASP 107 Ca 0.00 -2.02 -0.08 0.00 -0.71 0.00 0.00 54.79 51.98 2wro n ASP 107 Cb 0.00 -0.17 -0.02 0.00 -1.35 0.00 0.00 41.12 39.58 2wro n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2wro n GLY 108 N -0.03 -0.05 3.48 6.12 0.00 -1.20 -4.82 105.19 108.69 2wro n GLY 108 Ca -0.01 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2wro n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wro s ALA 109 N -2.83 3.21 0.54 4.61 0.00 -1.26 -4.91 121.76 121.12 2wro s ALA 109 Ca 0.05 -1.07 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 2wro s ALA 109 Cb -0.03 -2.07 -0.07 0.00 0.00 0.00 0.00 23.12 20.95 2wro s ALA 109 CO 0.24 -0.38 1.01 -1.25 0.00 0.00 0.00 175.76 175.38 2wro s PRO 110 N 1.42 3.73 0.32 0.00 0.04 -1.26 -3.57 135.00 135.69 2wro s PRO 110 Ca 0.05 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.18 2wro s PRO 110 Cb -0.15 -2.10 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 2wro s PRO 110 CO 0.04 -0.46 0.41 1.28 0.04 0.00 0.00 177.00 178.31 2wro n LEU 111 N -1.66 0.00 0.00 -3.56 4.32 -1.26 -4.05 117.00 110.79 2wro n LEU 111 Ca 0.07 -2.75 0.00 0.00 -0.02 0.00 0.00 56.01 53.31 2wro n LEU 111 Cb 0.53 2.16 0.00 0.00 -1.62 0.00 0.00 43.42 44.50 2wro n LEU 111 CO 0.46 -0.58 0.00 0.00 -1.22 0.00 0.00 177.39 176.05 2wro n ALA 112 N -0.85 0.00 -2.44 -1.18 0.00 -0.83 -3.57 120.51 111.64 2wro n ALA 112 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.08 2wro n ALA 112 Cb 0.55 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.89 2wro n ALA 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wro s LEU 113 N 0.00 2.48 -0.04 0.00 1.02 0.67 -2.98 118.68 119.84 2wro s LEU 113 Ca 0.00 -0.91 -0.05 0.00 0.02 0.00 0.00 54.13 53.19 2wro s LEU 113 Cb 0.00 -0.98 0.01 0.00 0.02 0.00 0.00 46.19 45.24 2wro s LEU 113 CO 0.00 0.02 0.14 0.68 0.02 0.00 0.00 176.35 177.21 2wro s VAL 114 N -2.10 0.03 -0.00 -1.59 -7.23 -0.62 -1.16 120.40 107.72 2wro s VAL 114 Ca 0.21 -0.22 -0.10 0.00 -1.81 0.00 0.00 61.98 60.06 2wro s VAL 114 Cb -0.06 -0.27 0.01 0.00 0.56 0.00 0.00 36.38 36.62 2wro s VAL 114 CO 0.09 -0.12 0.19 -0.70 -0.31 0.00 0.00 175.10 174.26 2wro s GLU 115 N -0.36 0.54 0.02 4.82 2.12 -1.18 -2.02 118.70 122.64 2wro s GLU 115 Ca -0.04 -0.33 0.01 0.00 0.36 0.00 0.00 54.97 54.96 2wro s GLU 115 Cb -0.03 0.23 0.06 0.00 0.26 0.00 0.00 34.13 34.65 2wro s GLU 115 CO 0.01 -0.14 0.90 1.28 -0.54 0.00 0.00 175.26 176.77 2wro n LEU 116 N 1.39 0.03 -1.04 2.70 4.77 -1.21 -3.55 117.00 120.09 2wro n LEU 116 Ca -0.22 0.38 0.10 0.00 -0.03 0.00 0.00 56.01 56.24 2wro n LEU 116 Cb 0.56 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 2wro n LEU 116 CO 0.21 -0.39 -0.33 0.55 -1.33 0.00 0.00 177.39 176.09 2wro n VAL 117 N -1.42 -0.40 0.00 4.08 3.14 -1.26 -4.73 118.33 117.75 2wro n VAL 117 Ca -0.00 0.47 0.00 0.00 -2.96 0.00 0.00 64.34 61.85 2wro n VAL 117 Cb 0.14 -0.74 0.00 0.00 -1.06 0.00 0.00 33.84 32.18 2wro n VAL 117 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58