#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs6 h ARG 2 N 0.00 0.31 0.00 3.17 3.08 -2.05 -3.46 114.38 115.43 1vs6 h ARG 2 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1vs6 h ARG 2 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1vs6 h ARG 2 CO 0.00 0.21 0.00 0.72 -1.07 0.00 0.00 179.97 179.83 1vs6 n HIS 3 N -5.03 0.00 -1.18 3.04 8.25 -1.26 -5.19 115.22 113.86 1vs6 n HIS 3 Ca 0.05 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.55 1vs6 n HIS 3 Cb 0.20 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.29 1vs6 n HIS 3 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1vs6 n ARG 4 N -0.78 -1.96 -0.56 -0.41 3.00 -1.26 -4.85 116.66 109.84 1vs6 n ARG 4 Ca 0.00 1.56 -0.22 0.00 -0.00 0.00 0.00 57.85 59.19 1vs6 n ARG 4 Cb 0.00 -2.30 -0.03 0.00 0.00 0.00 0.00 32.46 30.13 1vs6 n ARG 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1vs6 n LYS 5 N -2.91 0.00 0.00 -0.14 3.00 -1.26 -4.94 118.16 111.91 1vs6 n LYS 5 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1vs6 n LYS 5 Cb 0.30 -0.48 0.00 0.00 0.00 0.00 0.00 35.03 34.84 1vs6 n LYS 5 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1vs6 n SER 6 N 1.33 0.00 0.00 3.14 3.41 -1.26 -5.20 113.62 115.04 1vs6 n SER 6 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1vs6 n SER 6 Cb -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1vs6 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vs6 n GLY 7 N -0.62 0.34 0.42 5.00 0.00 -1.26 -5.10 105.19 103.98 1vs6 n GLY 7 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1vs6 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vs6 n ARG 8 N 0.00 0.00 -3.54 1.61 5.12 -1.26 -5.15 116.66 113.44 1vs6 n ARG 8 Ca 0.00 0.14 -0.11 0.00 -1.93 0.00 0.00 57.85 55.95 1vs6 n ARG 8 Cb 0.00 -0.42 -0.04 0.00 -1.16 0.00 0.00 32.46 30.83 1vs6 n ARG 8 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 1vs6 s GLN 9 N -1.32 0.76 0.37 5.56 1.03 -1.26 -5.13 119.66 119.67 1vs6 s GLN 9 Ca 0.00 0.03 0.05 0.00 0.04 0.00 0.00 55.36 55.48 1vs6 s GLN 9 Cb 0.00 0.36 -0.06 0.00 0.03 0.00 0.00 33.01 33.33 1vs6 s GLN 9 CO 0.00 -0.27 0.04 -0.51 -2.54 0.00 0.00 175.29 172.01 1vs6 s LEU 10 N -1.53 2.41 -1.06 2.60 1.43 -1.26 -5.01 118.68 116.27 1vs6 s LEU 10 Ca -0.02 -1.41 -0.26 0.00 -1.03 0.00 0.00 54.13 51.41 1vs6 s LEU 10 Cb -0.01 -0.56 -0.23 0.00 0.03 0.00 0.00 46.19 45.42 1vs6 s LEU 10 CO 0.00 -0.59 2.10 0.59 0.23 0.00 0.00 176.35 178.68 1vs6 n ASN 11 N -0.86 1.26 -1.82 2.29 4.13 -1.26 -4.69 115.26 114.31 1vs6 n ASN 11 Ca -0.04 -2.45 -0.05 0.00 1.68 0.00 0.00 54.58 53.72 1vs6 n ASN 11 Cb 0.67 -1.72 0.00 0.00 -1.54 0.00 0.00 39.78 37.20 1vs6 n ASN 11 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1vs6 n ARG 12 N 8.08 0.44 -3.68 3.52 0.63 -1.26 -5.15 116.66 119.24 1vs6 n ARG 12 Ca 0.40 -1.07 -0.37 0.00 -0.92 0.00 0.00 57.85 55.89 1vs6 n ARG 12 Cb 0.47 1.22 -0.11 0.00 0.45 0.00 0.00 32.46 34.49 1vs6 n ARG 12 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1vs6 s ASN 13 N -1.93 5.68 0.00 6.15 -0.87 -1.26 -4.93 114.94 117.77 1vs6 s ASN 13 Ca 0.09 -0.06 0.03 0.00 -1.57 0.00 0.00 52.86 51.34 1vs6 s ASN 13 Cb -0.02 -2.04 0.13 0.00 -0.02 0.00 0.00 41.25 39.31 1vs6 s ASN 13 CO 0.07 -0.02 0.95 -1.20 -2.57 0.00 0.00 177.10 174.33 1vs6 n SER 14 N 4.84 0.00 0.06 -1.22 7.64 -1.26 0.25 113.62 123.93 1vs6 n SER 14 Ca -0.15 0.32 0.11 0.00 1.01 0.00 0.00 58.87 60.16 1vs6 n SER 14 Cb 0.52 -0.35 -0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1vs6 n SER 14 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1vs6 n SER 15 N -1.35 0.65 0.00 6.43 7.64 -1.26 -4.24 113.62 121.49 1vs6 n SER 15 Ca 0.01 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1vs6 n SER 15 Cb 0.02 0.73 0.00 0.00 -1.01 0.00 0.00 64.21 63.96 1vs6 n SER 15 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1vs6 n HIS 16 N -2.37 0.00 -0.23 1.43 8.25 0.26 -4.66 115.22 117.90 1vs6 n HIS 16 Ca 0.00 0.00 0.22 0.00 -0.26 0.00 0.00 57.72 57.68 1vs6 n HIS 16 Cb 0.51 0.00 0.57 0.00 1.12 0.00 0.00 29.99 32.19 1vs6 n HIS 16 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1vs6 h ARG 17 N 0.00 0.29 -0.07 -0.41 2.43 0.30 -1.11 114.38 115.81 1vs6 h ARG 17 Ca 0.00 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1vs6 h ARG 17 Cb 0.00 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.43 1vs6 h ARG 17 CO 0.00 0.19 -0.30 1.96 -1.51 0.00 0.00 179.97 180.31 1vs6 h GLN 18 N 0.30 -0.39 0.06 0.20 4.20 -1.80 -0.94 115.11 116.73 1vs6 h GLN 18 Ca 0.47 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 59.20 1vs6 h GLN 18 Cb 1.34 0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.21 1vs6 h GLN 18 CO -0.14 -0.26 -0.03 0.00 -0.67 0.00 0.00 178.83 177.72 1vs6 h ALA 19 N 0.40 -0.08 0.00 3.87 0.00 -1.56 0.47 119.26 122.36 1vs6 h ALA 19 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1vs6 h ALA 19 Cb 0.53 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1vs6 h ALA 19 CO -0.30 -0.34 0.15 -1.33 0.00 0.00 0.00 179.25 177.43 1vs6 n MET 20 N -4.94 0.01 0.00 0.00 2.81 -0.79 -1.15 117.12 113.06 1vs6 n MET 20 Ca -0.08 0.38 0.00 0.00 -1.81 0.00 0.00 57.70 56.19 1vs6 n MET 20 Cb 0.22 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.04 1vs6 n MET 20 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1vs6 n PHE 21 N -1.44 0.00 -0.03 2.03 0.99 -0.37 -4.64 117.46 114.00 1vs6 n PHE 21 Ca -0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.45 57.24 1vs6 n PHE 21 Cb 0.15 0.00 -0.13 0.00 -1.00 0.00 0.00 39.48 38.50 1vs6 n PHE 21 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.76 176.83 1vs6 h ARG 22 N 0.00 0.14 -0.68 -1.08 0.11 0.15 -2.21 114.38 110.82 1vs6 h ARG 22 Ca 0.00 -0.25 0.11 0.00 0.10 0.00 0.00 59.98 59.94 1vs6 h ARG 22 Cb 0.00 0.09 -0.04 0.00 1.11 0.00 0.00 29.97 31.13 1vs6 h ARG 22 CO 0.00 1.12 0.45 -0.91 0.10 0.00 0.00 179.97 180.73 1vs6 h ASN 23 N -0.58 0.43 -0.05 0.08 2.35 -1.70 0.18 115.58 116.31 1vs6 h ASN 23 Ca -0.28 0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 55.30 1vs6 h ASN 23 Cb 1.54 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 39.85 1vs6 h ASN 23 CO -0.02 0.25 -0.70 -0.03 -1.65 0.00 0.00 177.43 175.28 1vs6 h MET 24 N 0.48 0.56 -1.01 0.81 4.05 -1.78 -2.98 114.93 115.06 1vs6 h MET 24 Ca 0.32 -0.54 0.02 0.00 -0.28 0.00 0.00 59.70 59.22 1vs6 h MET 24 Cb 0.59 0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 31.48 1vs6 h MET 24 CO -0.10 1.16 0.66 0.00 0.23 0.00 0.00 176.91 178.87 1vs6 h ALA 25 N 0.41 1.31 0.00 0.39 0.00 -0.36 -0.72 119.26 120.29 1vs6 h ALA 25 Ca -0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1vs6 h ALA 25 Cb 1.37 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1vs6 h ALA 25 CO 0.14 0.61 -0.17 0.78 0.00 0.00 0.00 179.25 180.61 1vs6 h GLY 26 N 1.32 0.00 0.97 0.00 0.00 -0.76 -3.17 103.07 101.43 1vs6 h GLY 26 Ca 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 1vs6 h GLY 26 CO -0.10 0.00 -0.07 0.23 0.00 0.00 0.00 176.54 176.60 1vs6 h SER 27 N 0.00 -0.16 -0.63 0.19 0.87 -0.96 -2.29 113.55 110.57 1vs6 h SER 27 Ca -0.00 -0.02 0.12 0.00 -1.23 0.00 0.00 61.79 60.66 1vs6 h SER 27 Cb 0.60 0.04 -0.12 0.00 -0.44 0.00 0.00 62.40 62.48 1vs6 h SER 27 CO 0.02 -0.08 -0.18 -0.07 -0.53 0.00 0.00 176.83 175.99 1vs6 h LEU 28 N -0.22 -0.67 -1.27 2.23 4.07 -1.51 0.50 115.31 118.44 1vs6 h LEU 28 Ca -0.02 0.20 -0.01 0.00 0.08 0.00 0.00 57.88 58.13 1vs6 h LEU 28 Cb 0.17 0.42 -0.03 0.00 1.08 0.00 0.00 40.66 42.30 1vs6 h LEU 28 CO 0.03 -0.23 0.33 0.58 -1.08 0.00 0.00 178.44 178.07 1vs6 h VAL 29 N -0.03 1.18 0.00 1.22 2.07 -1.66 -0.64 116.25 118.39 1vs6 h VAL 29 Ca 0.30 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1vs6 h VAL 29 Cb 0.48 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1vs6 h VAL 29 CO -0.66 0.20 -0.15 -0.09 0.02 0.00 0.00 177.57 176.90 1vs6 h ARG 30 N 0.84 0.00 0.00 1.57 2.43 0.30 -3.46 114.38 116.06 1vs6 h ARG 30 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1vs6 h ARG 30 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1vs6 h ARG 30 CO -0.04 0.15 0.00 0.72 -1.51 0.00 0.00 179.97 179.29 1vs6 n HIS 31 N -3.27 0.00 0.15 2.20 8.25 0.13 -5.08 115.22 117.61 1vs6 n HIS 31 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1vs6 n HIS 31 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 1vs6 n HIS 31 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1vs6 n GLU 32 N 0.00 0.00 -4.80 -0.41 2.13 -1.15 -4.86 120.64 111.56 1vs6 n GLU 32 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 1vs6 n GLU 32 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 1vs6 n GLU 32 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 1vs6 s ILE 33 N -2.00 2.91 -0.26 6.31 -0.00 -1.26 -3.19 121.20 123.71 1vs6 s ILE 33 Ca 0.00 -0.95 -0.01 0.00 -0.00 0.00 0.00 60.65 59.69 1vs6 s ILE 33 Cb 0.00 -2.18 0.13 0.00 -0.00 0.00 0.00 42.46 40.41 1vs6 s ILE 33 CO 0.00 0.47 0.31 0.27 -0.00 0.00 0.00 174.94 175.99 1vs6 s ILE 34 N -0.82 -0.46 -0.19 8.37 -0.00 0.41 -5.00 121.20 123.51 1vs6 s ILE 34 Ca 0.13 -0.30 -0.28 0.00 -0.00 0.00 0.00 60.65 60.20 1vs6 s ILE 34 Cb -0.11 -0.89 -0.05 0.00 -0.00 0.00 0.00 42.46 41.42 1vs6 s ILE 34 CO 0.03 -0.32 2.11 -1.59 -0.00 0.00 0.00 174.94 175.17 1vs6 s LYS 35 N 2.41 3.34 -0.45 0.37 -2.85 -1.24 -4.13 119.74 117.19 1vs6 s LYS 35 Ca 0.10 2.05 0.07 0.00 -1.00 0.00 0.00 55.97 57.18 1vs6 s LYS 35 Cb -0.14 -4.31 0.28 0.00 -2.06 0.00 0.00 37.83 31.59 1vs6 s LYS 35 CO -0.25 -1.87 0.85 -2.37 0.10 0.00 0.00 175.35 171.82 1vs6 n THR 36 N 7.31 -0.16 -1.45 3.79 5.66 -1.15 -4.95 114.28 123.33 1vs6 n THR 36 Ca 0.27 -2.38 0.00 0.00 -3.05 0.00 0.00 64.05 58.89 1vs6 n THR 36 Cb 0.45 0.58 0.00 0.00 -1.55 0.00 0.00 70.33 69.81 1vs6 n THR 36 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1vs6 n THR 37 N 1.12 -2.85 -0.17 1.09 -2.24 -0.96 -2.94 114.28 107.33 1vs6 n THR 37 Ca 0.13 1.35 -0.07 0.00 -2.27 0.00 0.00 64.05 63.18 1vs6 n THR 37 Cb 0.63 -2.01 0.02 0.00 -2.10 0.00 0.00 70.33 66.86 1vs6 n THR 37 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1vs6 h LEU 38 N 0.79 0.59 0.65 3.22 6.46 -1.45 0.36 115.31 125.94 1vs6 h LEU 38 Ca 0.00 -0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.67 1vs6 h LEU 38 Cb 0.35 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1vs6 h LEU 38 CO 0.00 0.47 -0.38 -0.65 -0.62 0.00 0.00 178.44 177.27 1vs6 h PRO 39 N 0.66 -0.92 -0.77 5.25 0.11 -1.87 0.71 132.00 135.16 1vs6 h PRO 39 Ca 0.18 0.06 0.18 0.00 0.11 0.00 0.00 66.00 66.53 1vs6 h PRO 39 Cb -0.01 0.21 -0.05 0.00 0.11 0.00 0.00 31.00 31.27 1vs6 h PRO 39 CO -0.03 -0.62 0.52 0.87 -0.21 0.00 0.00 178.00 178.54 1vs6 h LYS 40 N -0.96 0.26 0.36 1.05 1.57 -1.67 -0.80 116.57 116.38 1vs6 h LYS 40 Ca -0.09 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1vs6 h LYS 40 Cb 0.76 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1vs6 h LYS 40 CO 0.10 0.17 -0.17 0.00 -0.57 0.00 0.00 179.45 178.99 1vs6 h ALA 41 N 1.64 -0.48 0.00 3.86 0.00 -0.52 0.35 119.26 124.11 1vs6 h ALA 41 Ca 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1vs6 h ALA 41 Cb 1.09 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1vs6 h ALA 41 CO -0.09 -0.46 0.05 1.17 0.00 0.00 0.00 179.25 179.92 1vs6 n LYS 42 N -5.10 0.00 -0.01 0.00 4.81 0.25 -0.21 118.16 117.91 1vs6 n LYS 42 Ca -0.07 0.33 0.03 0.00 -0.87 0.00 0.00 58.31 57.74 1vs6 n LYS 42 Cb 0.21 -1.55 -0.06 0.00 0.02 0.00 0.00 35.03 33.65 1vs6 n LYS 42 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1vs6 n GLU 43 N -1.32 0.49 -0.28 1.64 2.13 -0.35 -4.71 120.64 118.24 1vs6 n GLU 43 Ca 0.00 -0.06 -0.05 0.00 0.66 0.00 0.00 57.16 57.71 1vs6 n GLU 43 Cb 0.05 -1.17 0.08 0.00 0.27 0.00 0.00 31.44 30.67 1vs6 n GLU 43 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1vs6 h LEU 44 N 0.00 1.09 -1.80 4.31 5.85 0.30 -3.14 115.31 121.91 1vs6 h LEU 44 Ca -0.02 -0.17 0.13 0.00 0.84 0.00 0.00 57.88 58.67 1vs6 h LEU 44 Cb 0.44 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1vs6 h LEU 44 CO 0.00 0.96 0.41 0.08 -0.34 0.00 0.00 178.44 179.55 1vs6 h ARG 45 N 1.15 0.20 0.00 1.25 -0.00 -1.84 -1.82 114.38 113.32 1vs6 h ARG 45 Ca 0.26 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 60.23 1vs6 h ARG 45 Cb 0.21 -0.05 0.00 0.00 -0.00 0.00 0.00 29.97 30.13 1vs6 h ARG 45 CO -0.02 0.13 0.00 0.54 -0.00 0.00 0.00 179.97 180.62 1vs6 n ARG 46 N -4.43 0.01 -0.03 0.08 1.74 -1.19 -1.23 116.66 111.61 1vs6 n ARG 46 Ca 0.11 0.47 -0.04 0.00 -0.77 0.00 0.00 57.85 57.61 1vs6 n ARG 46 Cb 0.52 -1.54 -0.05 0.00 -1.02 0.00 0.00 32.46 30.37 1vs6 n ARG 46 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1vs6 n VAL 47 N -1.56 0.43 0.06 1.55 0.31 -0.70 -4.39 118.33 114.02 1vs6 n VAL 47 Ca 0.01 -0.24 -0.06 0.00 -0.01 0.00 0.00 64.34 64.04 1vs6 n VAL 47 Cb 0.04 -0.82 -0.04 0.00 -0.91 0.00 0.00 33.84 32.11 1vs6 n VAL 47 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1vs6 h VAL 48 N 0.00 0.28 0.17 2.52 2.07 -1.32 -3.14 116.25 116.82 1vs6 h VAL 48 Ca -0.17 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1vs6 h VAL 48 Cb 1.35 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1vs6 h VAL 48 CO -0.00 0.08 -0.15 -0.33 0.02 0.00 0.00 177.57 177.19 1vs6 h GLU 49 N -1.03 -0.33 -0.80 1.57 5.08 -1.46 -0.15 114.58 117.47 1vs6 h GLU 49 Ca -0.02 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 1vs6 h GLU 49 Cb 0.32 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 1vs6 h GLU 49 CO 0.04 -0.22 0.52 -1.35 -1.00 0.00 0.00 179.01 177.00 1vs6 h PRO 50 N -0.35 0.59 0.00 2.33 0.11 -1.74 0.30 132.00 133.25 1vs6 h PRO 50 Ca -0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1vs6 h PRO 50 Cb 0.32 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.30 1vs6 h PRO 50 CO -0.03 0.39 0.00 -0.07 -0.21 0.00 0.00 178.00 178.08 1vs6 h LEU 51 N 0.61 0.00 -0.09 2.35 4.07 -1.43 -3.26 115.31 117.57 1vs6 h LEU 51 Ca 0.39 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.26 1vs6 h LEU 51 Cb 0.65 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.39 1vs6 h LEU 51 CO -0.15 0.00 -0.27 0.40 -1.08 0.00 0.00 178.44 177.34 1vs6 h ILE 52 N 0.00 1.41 -1.10 1.22 1.08 0.15 -3.23 117.51 117.04 1vs6 h ILE 52 Ca 0.00 -1.62 0.32 0.00 -0.39 0.00 0.00 64.86 63.16 1vs6 h ILE 52 Cb 0.83 2.23 -0.04 0.00 -3.07 0.00 0.00 36.82 36.77 1vs6 h ILE 52 CO 0.00 0.47 0.80 0.71 -0.69 0.00 0.00 178.15 179.44 1vs6 h THR 53 N -0.13 0.43 -0.13 -0.27 1.35 -1.40 -3.31 112.91 109.45 1vs6 h THR 53 Ca -0.01 0.00 -0.53 0.00 -0.55 0.00 0.00 66.41 65.32 1vs6 h THR 53 Cb 0.89 0.44 0.04 0.00 -1.73 0.00 0.00 68.15 67.79 1vs6 h THR 53 CO 0.06 0.00 1.76 0.18 -0.25 0.00 0.00 175.52 177.27 1vs6 n LEU 54 N -4.17 3.33 0.00 3.87 4.32 -1.22 -3.84 117.00 119.29 1vs6 n LEU 54 Ca 0.23 -2.79 0.00 0.00 -0.02 0.00 0.00 56.01 53.44 1vs6 n LEU 54 Cb 1.17 -1.23 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 1vs6 n LEU 54 CO 0.39 -1.09 -0.20 0.00 -1.22 0.00 0.00 177.39 175.27 1vs6 n ALA 55 N 10.05 2.82 -0.19 -1.18 0.00 -1.25 -4.71 120.51 126.05 1vs6 n ALA 55 Ca 0.48 0.00 0.29 0.00 0.00 0.00 0.00 53.44 54.21 1vs6 n ALA 55 Cb 0.43 0.20 0.57 0.00 0.00 0.00 0.00 19.45 20.64 1vs6 n ALA 55 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1vs6 h LYS 56 N 0.00 0.00 0.00 0.00 1.79 -1.92 -1.59 116.57 114.85 1vs6 h LYS 56 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1vs6 h LYS 56 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1vs6 h LYS 56 CO 0.00 0.00 -0.13 0.00 -1.08 0.00 0.00 179.45 178.24 1vs6 h THR 57 N 0.00 0.00 -3.88 -0.16 1.03 -1.88 -3.47 112.91 104.55 1vs6 h THR 57 Ca 0.47 -0.93 -0.32 0.00 -0.01 0.00 0.00 66.41 65.62 1vs6 h THR 57 Cb 2.53 0.00 -0.01 0.00 -1.07 0.00 0.00 68.15 69.59 1vs6 h THR 57 CO -0.00 0.00 -0.42 -0.67 -0.01 0.00 0.00 175.52 174.41 1vs6 n ASP 58 N -4.55 -4.59 0.00 0.00 -0.08 -0.60 -4.87 116.55 101.86 1vs6 n ASP 58 Ca -0.02 0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1vs6 n ASP 58 Cb 0.07 -3.84 0.00 0.00 2.34 0.00 0.00 41.12 39.69 1vs6 n ASP 58 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1vs6 n SER 59 N -1.98 0.00 -0.03 1.67 3.41 -1.26 -4.96 113.62 110.47 1vs6 n SER 59 Ca -0.15 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.40 1vs6 n SER 59 Cb 0.62 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.73 1vs6 n SER 59 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1vs6 h VAL 60 N 0.00 1.27 0.33 -3.33 -1.51 -1.96 -3.13 116.25 107.91 1vs6 h VAL 60 Ca 0.00 -1.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.19 1vs6 h VAL 60 Cb 0.00 1.26 -0.03 0.00 -2.13 0.00 0.00 31.29 30.40 1vs6 h VAL 60 CO 0.00 0.42 -0.36 0.00 -1.23 0.00 0.00 177.57 176.40 1vs6 h ALA 61 N 1.21 -0.76 -0.68 5.19 0.00 -1.95 -1.87 119.26 120.41 1vs6 h ALA 61 Ca 0.08 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.03 1vs6 h ALA 61 Cb 0.68 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1vs6 h ALA 61 CO 0.05 -0.97 0.47 -0.97 0.00 0.00 0.00 179.25 177.83 1vs6 h ASN 62 N -0.73 0.22 -0.20 0.00 -0.73 -1.84 0.16 115.58 112.47 1vs6 h ASN 62 Ca -0.02 0.01 -0.05 0.00 1.87 0.00 0.00 56.30 58.11 1vs6 h ASN 62 Cb 0.67 -0.03 -0.03 0.00 0.27 0.00 0.00 38.32 39.19 1vs6 h ASN 62 CO -0.09 0.11 0.07 0.54 -0.37 0.00 0.00 177.43 177.69 1vs6 n ARG 63 N -4.43 1.80 0.00 6.67 3.00 -0.71 -4.05 116.66 118.94 1vs6 n ARG 63 Ca 0.13 -0.84 0.05 0.00 -0.01 0.00 0.00 57.85 57.18 1vs6 n ARG 63 Cb 0.58 -1.57 0.22 0.00 0.00 0.00 0.00 32.46 31.70 1vs6 n ARG 63 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1vs6 n ARG 64 N 0.13 0.01 -3.15 5.56 3.00 0.56 -4.38 116.66 118.38 1vs6 n ARG 64 Ca 0.11 0.32 0.04 0.00 -0.00 0.00 0.00 57.85 58.32 1vs6 n ARG 64 Cb 0.62 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.58 1vs6 n ARG 64 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1vs6 s LEU 65 N -2.98 -1.18 0.33 6.15 2.96 -1.26 -5.04 118.68 117.67 1vs6 s LEU 65 Ca 0.05 0.47 0.00 0.00 -0.22 0.00 0.00 54.13 54.44 1vs6 s LEU 65 Cb 0.07 1.88 0.00 0.00 0.50 0.00 0.00 46.19 48.64 1vs6 s LEU 65 CO 0.19 -0.22 0.00 0.00 -1.32 0.00 0.00 176.35 175.00 1vs6 n ALA 66 N 5.40 2.46 0.76 5.97 0.00 -1.26 -4.72 120.51 129.12 1vs6 n ALA 66 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.50 1vs6 n ALA 66 Cb 0.53 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.29 1vs6 n ALA 66 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1vs6 n PHE 67 N -3.48 0.00 0.03 0.00 0.99 -1.26 -3.37 117.46 110.37 1vs6 n PHE 67 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.44 1vs6 n PHE 67 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 39.48 38.48 1vs6 n PHE 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1vs6 n ALA 68 N -0.94 2.79 0.22 4.37 0.00 -1.26 -4.71 120.51 120.98 1vs6 n ALA 68 Ca 0.08 -0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.47 1vs6 n ALA 68 Cb 0.04 0.19 0.08 0.00 0.00 0.00 0.00 19.45 19.76 1vs6 n ALA 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vs6 n ARG 69 N -3.41 0.11 -3.21 0.00 5.12 -1.25 -4.41 116.66 109.61 1vs6 n ARG 69 Ca -0.01 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.94 1vs6 n ARG 69 Cb 0.04 -1.38 -0.04 0.00 -1.16 0.00 0.00 32.46 29.92 1vs6 n ARG 69 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1vs6 s THR 70 N -2.00 -0.12 0.35 0.55 -1.32 -1.22 -4.83 115.64 107.06 1vs6 s THR 70 Ca 0.04 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.67 1vs6 s THR 70 Cb 0.02 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 70.38 1vs6 s THR 70 CO 0.03 0.00 1.58 -0.09 -2.21 0.00 0.00 174.62 173.93 1vs6 h ARG 71 N 7.14 0.01 -6.36 7.08 2.43 -1.80 -3.37 114.38 119.49 1vs6 h ARG 71 Ca -0.14 -0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.35 1vs6 h ARG 71 Cb 1.13 -0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 30.48 1vs6 h ARG 71 CO 0.06 0.00 -0.74 0.34 -1.51 0.00 0.00 179.97 178.12 1vs6 s ASP 72 N -4.67 4.31 0.00 -3.80 -1.08 -1.26 -4.86 116.67 105.30 1vs6 s ASP 72 Ca -0.10 -0.22 0.00 0.00 -0.52 0.00 0.00 52.55 51.71 1vs6 s ASP 72 Cb 0.33 -0.92 0.00 0.00 -1.46 0.00 0.00 42.92 40.86 1vs6 s ASP 72 CO 0.78 0.29 0.27 0.59 0.52 0.00 0.00 175.17 177.62 1vs6 n ASN 73 N 1.72 0.54 0.00 -0.34 5.03 -1.26 -4.26 115.26 116.69 1vs6 n ASN 73 Ca -0.16 -1.05 0.00 0.00 0.87 0.00 0.00 54.58 54.24 1vs6 n ASN 73 Cb 0.52 -0.26 0.00 0.00 -1.02 0.00 0.00 39.78 39.02 1vs6 n ASN 73 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1vs6 n GLU 74 N 0.25 0.00 -0.28 3.52 1.02 -1.26 0.90 120.64 124.79 1vs6 n GLU 74 Ca 0.00 0.62 0.09 0.00 -0.02 0.00 0.00 57.16 57.85 1vs6 n GLU 74 Cb 0.13 -1.41 0.33 0.00 -0.02 0.00 0.00 31.44 30.47 1vs6 n GLU 74 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1vs6 h ILE 75 N 0.00 0.91 -0.30 -3.67 -0.00 -1.92 0.69 117.51 113.23 1vs6 h ILE 75 Ca 0.00 -0.28 -0.13 0.00 -0.00 0.00 0.00 64.86 64.46 1vs6 h ILE 75 Cb 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 36.82 36.85 1vs6 h ILE 75 CO 0.00 0.15 -0.31 1.62 -0.00 0.00 0.00 178.15 179.61 1vs6 h VAL 76 N 0.81 1.30 -0.61 2.19 3.04 -1.79 -2.77 116.25 118.42 1vs6 h VAL 76 Ca 0.43 -1.48 -0.10 0.00 -1.01 0.00 0.00 66.70 64.54 1vs6 h VAL 76 Cb 0.54 1.57 -0.02 0.00 -2.01 0.00 0.00 31.29 31.37 1vs6 h VAL 76 CO -0.19 0.48 0.00 0.00 -1.01 0.00 0.00 177.57 176.84 1vs6 h ALA 77 N 0.71 0.85 0.00 3.17 0.00 0.12 -1.51 119.26 122.60 1vs6 h ALA 77 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1vs6 h ALA 77 Cb 0.89 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1vs6 h ALA 77 CO 0.08 0.67 0.01 -0.22 0.00 0.00 0.00 179.25 179.79 1vs6 h LYS 78 N 0.98 0.00 0.00 0.00 1.63 -0.79 -2.79 116.57 115.60 1vs6 h LYS 78 Ca 0.17 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1vs6 h LYS 78 Cb 0.56 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 1vs6 h LYS 78 CO 0.03 0.00 -0.00 -0.07 -3.45 0.00 0.00 179.45 175.96 1vs6 h LEU 79 N 0.00 -0.01 -0.05 5.20 3.38 -0.98 -2.13 115.31 120.73 1vs6 h LEU 79 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vs6 h LEU 79 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1vs6 h LEU 79 CO 0.00 0.02 0.00 2.22 0.09 0.00 0.00 178.44 180.77 1vs6 n PHE 80 N -2.15 0.00 0.00 1.13 1.16 -1.19 0.59 117.46 117.00 1vs6 n PHE 80 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1vs6 n PHE 80 Cb 0.00 -0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1vs6 n PHE 80 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1vs6 n ASN 81 N -0.47 2.59 0.00 5.98 5.03 -1.06 -4.88 115.26 122.46 1vs6 n ASN 81 Ca 0.00 -0.08 0.00 0.00 0.87 0.00 0.00 54.58 55.37 1vs6 n ASN 81 Cb 0.01 0.68 0.00 0.00 -1.02 0.00 0.00 39.78 39.45 1vs6 n ASN 81 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1vs6 n GLU 82 N -0.94 0.00 -0.32 3.52 1.02 -0.85 -4.89 120.64 118.18 1vs6 n GLU 82 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1vs6 n GLU 82 Cb 0.00 0.00 0.35 0.00 -0.02 0.00 0.00 31.44 31.77 1vs6 n GLU 82 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1vs6 h LEU 83 N 0.00 0.73 0.38 -4.62 4.07 -1.30 -1.62 115.31 112.94 1vs6 h LEU 83 Ca 0.00 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 1vs6 h LEU 83 Cb 0.00 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 1vs6 h LEU 83 CO 0.00 0.32 -0.50 1.23 -1.08 0.00 0.00 178.44 178.41 1vs6 h GLY 84 N 0.75 -1.23 2.00 0.83 0.00 -0.10 -2.90 103.07 102.41 1vs6 h GLY 84 Ca 0.51 0.60 0.00 0.00 0.00 0.00 0.00 47.33 48.45 1vs6 h GLY 84 CO -0.28 -0.34 0.00 -0.56 0.00 0.00 0.00 176.54 175.36 1vs6 h PRO 85 N -0.91 0.00 0.09 4.80 0.13 -1.71 -3.30 132.00 131.10 1vs6 h PRO 85 Ca -0.04 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1vs6 h PRO 85 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 1vs6 h PRO 85 CO -0.13 0.00 -0.07 0.00 -0.23 0.00 0.00 178.00 177.57 1vs6 h ARG 86 N 0.00 -0.15 -1.00 0.86 3.08 -1.08 -3.07 114.38 113.02 1vs6 h ARG 86 Ca 0.00 0.01 -0.27 0.00 0.07 0.00 0.00 59.98 59.79 1vs6 h ARG 86 Cb 0.62 0.03 -0.16 0.00 0.08 0.00 0.00 29.97 30.54 1vs6 h ARG 86 CO 0.00 -0.10 0.35 0.34 -1.07 0.00 0.00 179.97 179.49 1vs6 n PHE 87 N -2.65 1.63 0.25 3.04 7.35 -1.23 -4.53 117.46 121.32 1vs6 n PHE 87 Ca -0.02 -1.21 0.18 0.00 -0.76 0.00 0.00 57.45 55.64 1vs6 n PHE 87 Cb 0.07 -0.62 0.84 0.00 0.35 0.00 0.00 39.48 40.12 1vs6 n PHE 87 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1vs6 h ALA 88 N 1.48 1.58 -3.00 3.13 0.00 -1.61 -3.37 119.26 117.48 1vs6 h ALA 88 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1vs6 h ALA 88 Cb 1.99 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1vs6 h ALA 88 CO 0.59 -0.37 0.00 0.45 0.00 0.00 0.00 179.25 179.91 1vs6 n SER 89 N -3.29 0.00 -4.14 0.00 2.88 -1.26 -4.30 113.62 103.50 1vs6 n SER 89 Ca 0.01 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.22 1vs6 n SER 89 Cb 0.40 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.78 1vs6 n SER 89 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1vs6 n ARG 90 N 0.00 1.17 -0.29 -1.46 5.12 -1.26 -4.78 116.66 115.17 1vs6 n ARG 90 Ca 0.00 -1.99 0.01 0.00 -1.93 0.00 0.00 57.85 53.94 1vs6 n ARG 90 Cb 0.00 -3.35 0.05 0.00 -1.16 0.00 0.00 32.46 28.00 1vs6 n ARG 90 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1vs6 n ALA 91 N 12.30 -0.02 -1.47 7.54 0.00 -1.26 -4.56 120.51 133.04 1vs6 n ALA 91 Ca 0.46 0.78 -0.45 0.00 0.00 0.00 0.00 53.44 54.23 1vs6 n ALA 91 Cb 0.44 -0.38 -0.01 0.00 0.00 0.00 0.00 19.45 19.49 1vs6 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vs6 n GLY 92 N -1.39 -1.27 1.25 0.00 0.00 -1.26 -4.67 105.19 97.85 1vs6 n GLY 92 Ca 0.09 0.24 0.16 0.00 0.00 0.00 0.00 46.02 46.51 1vs6 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs6 n GLY 93 N 1.72 -1.90 0.00 -0.02 0.00 -1.26 -5.05 105.19 98.68 1vs6 n GLY 93 Ca 0.13 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1vs6 n GLY 93 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1vs6 n TYR 94 N -3.76 0.00 -1.00 1.61 4.19 -1.26 -5.07 117.16 111.86 1vs6 n TYR 94 Ca -0.01 0.00 -0.30 0.00 3.31 0.00 0.00 57.90 60.89 1vs6 n TYR 94 Cb 0.65 0.00 0.14 0.00 0.49 0.00 0.00 39.34 40.62 1vs6 n TYR 94 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 1vs6 s THR 95 N 0.00 2.63 0.05 2.97 -4.23 -1.26 -4.50 115.64 111.30 1vs6 s THR 95 Ca 0.00 0.20 -0.05 0.00 -1.18 0.00 0.00 61.69 60.67 1vs6 s THR 95 Cb 0.00 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.32 1vs6 s THR 95 CO 0.00 -0.27 0.08 0.00 -0.54 0.00 0.00 174.62 173.89 1vs6 s ARG 96 N -4.79 0.61 -0.10 3.99 1.70 -1.22 -4.94 118.95 114.19 1vs6 s ARG 96 Ca 0.64 -0.86 -0.01 0.00 -0.47 0.00 0.00 55.73 55.03 1vs6 s ARG 96 Cb -0.20 0.23 -0.03 0.00 -0.57 0.00 0.00 34.95 34.39 1vs6 s ARG 96 CO 0.58 -0.15 -0.06 0.42 -1.08 0.00 0.00 175.30 175.01 1vs6 s ILE 97 N -2.96 3.73 -0.24 4.99 -1.09 -1.26 -2.68 121.20 121.68 1vs6 s ILE 97 Ca -0.02 -0.45 0.01 0.00 -2.23 0.00 0.00 60.65 57.96 1vs6 s ILE 97 Cb 0.01 -2.57 0.06 0.00 -1.58 0.00 0.00 42.46 38.39 1vs6 s ILE 97 CO -0.06 0.56 -0.05 -0.76 -1.23 0.00 0.00 174.94 173.39 1vs6 s LEU 98 N -0.32 2.74 -0.05 2.97 1.43 -1.26 -5.00 118.68 119.19 1vs6 s LEU 98 Ca 0.05 -1.25 -0.37 0.00 -1.03 0.00 0.00 54.13 51.53 1vs6 s LEU 98 Cb -0.13 -1.23 -0.15 0.00 0.03 0.00 0.00 46.19 44.72 1vs6 s LEU 98 CO 0.02 -0.24 1.63 1.17 0.23 0.00 0.00 176.35 179.17 1vs6 n LYS 99 N 4.63 1.56 0.02 1.70 4.81 -1.26 -3.79 118.16 125.83 1vs6 n LYS 99 Ca -0.11 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1vs6 n LYS 99 Cb 0.44 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.20 1vs6 n LYS 99 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vs6 n GLY 101 N 3.36 -2.94 2.34 0.00 0.00 -1.26 -4.74 105.19 101.94 1vs6 n GLY 101 Ca 0.00 -1.29 -0.01 0.00 0.00 0.00 0.00 46.02 44.73 1vs6 n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vs6 n PHE 102 N -2.71 -4.65 -0.83 1.61 0.99 -0.55 -4.55 117.46 106.76 1vs6 n PHE 102 Ca -0.03 2.76 0.08 0.00 -0.00 0.00 0.00 57.45 60.26 1vs6 n PHE 102 Cb 0.23 -3.80 0.35 0.00 -1.00 0.00 0.00 39.48 35.27 1vs6 n PHE 102 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 1vs6 n ARG 103 N 1.76 4.12 -2.30 -1.08 0.63 -1.16 -4.81 116.66 113.83 1vs6 n ARG 103 Ca -0.05 -2.99 0.00 0.00 -0.92 0.00 0.00 57.85 53.89 1vs6 n ARG 103 Cb 0.07 -2.05 0.00 0.00 0.45 0.00 0.00 32.46 30.93 1vs6 n ARG 103 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1vs6 n ALA 104 N 0.49 -1.89 0.00 5.13 0.00 -1.26 -4.51 120.51 118.46 1vs6 n ALA 104 Ca 0.25 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.14 1vs6 n ALA 104 Cb 1.03 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1vs6 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vs6 n GLY 105 N 1.88 2.99 2.39 0.00 0.00 -1.26 -4.81 105.19 106.38 1vs6 n GLY 105 Ca 0.00 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.96 1vs6 n GLY 105 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vs6 n ASP 106 N 1.60 1.13 -3.56 1.61 5.75 -1.26 -5.05 116.55 116.77 1vs6 n ASP 106 Ca 0.00 -2.83 -0.07 0.00 -0.01 0.00 0.00 54.79 51.87 1vs6 n ASP 106 Cb 0.00 -0.64 -0.08 0.00 -1.03 0.00 0.00 41.12 39.38 1vs6 n ASP 106 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1vs6 n ASN 107 N 1.76 -1.53 -4.16 -1.12 5.03 -1.26 -4.15 115.26 109.83 1vs6 n ASN 107 Ca 0.25 -0.92 -0.27 0.00 0.87 0.00 0.00 54.58 54.52 1vs6 n ASN 107 Cb 0.47 -0.49 -0.16 0.00 -1.02 0.00 0.00 39.78 38.58 1vs6 n ASN 107 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1vs6 s ALA 108 N 0.00 1.62 0.65 5.41 0.00 -1.26 -4.80 121.76 123.38 1vs6 s ALA 108 Ca 0.43 -0.76 -0.17 0.00 0.00 0.00 0.00 51.96 51.46 1vs6 s ALA 108 Cb -0.28 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 1vs6 s ALA 108 CO 0.19 0.32 0.65 -0.35 0.00 0.00 0.00 175.76 176.56 1vs6 n PRO 109 N 3.01 0.50 0.00 0.00 -0.04 -1.26 -1.49 135.00 135.72 1vs6 n PRO 109 Ca -0.17 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1vs6 n PRO 109 Cb 0.53 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1vs6 n PRO 109 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1vs6 n MET 110 N -0.68 0.00 -0.91 0.54 2.81 -1.26 -2.43 117.12 115.19 1vs6 n MET 110 Ca 0.12 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.13 1vs6 n MET 110 Cb 0.49 -0.03 -0.03 0.00 -0.71 0.00 0.00 33.22 32.93 1vs6 n MET 110 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vs6 n ALA 111 N -1.59 -2.35 -1.92 3.04 0.00 -1.25 -2.27 120.51 114.18 1vs6 n ALA 111 Ca 0.00 0.29 -0.05 0.00 0.00 0.00 0.00 53.44 53.67 1vs6 n ALA 111 Cb 0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 19.45 18.58 1vs6 n ALA 111 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1vs6 n TYR 112 N -3.22 0.00 -1.43 0.00 0.18 -1.25 -2.92 117.16 108.52 1vs6 n TYR 112 Ca 0.01 -0.38 0.00 0.00 1.88 0.00 0.00 57.90 59.40 1vs6 n TYR 112 Cb 0.42 0.44 0.00 0.00 -0.38 0.00 0.00 39.34 39.82 1vs6 n TYR 112 CO 0.00 0.00 0.00 -0.89 -2.08 0.00 0.00 176.86 173.89 1vs6 n ILE 113 N 0.00 0.00 -2.47 -3.48 2.08 -1.25 0.15 119.36 114.39 1vs6 n ILE 113 Ca -0.21 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.10 1vs6 n ILE 113 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.50 1vs6 n ILE 113 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 1vs6 n GLU 114 N -0.30 -2.46 0.00 0.38 2.13 -1.09 -4.51 120.64 114.79 1vs6 n GLU 114 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1vs6 n GLU 114 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1vs6 n GLU 114 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 1vs6 n LEU 115 N 0.00 0.00 0.00 4.31 -0.00 -1.26 -3.44 117.00 116.61 1vs6 n LEU 115 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1vs6 n LEU 115 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1vs6 n LEU 115 CO 0.00 0.00 0.00 0.55 -0.00 0.00 0.00 177.39 177.94 1vs6 n VAL 116 N 0.00 0.00 0.00 1.47 3.14 -1.26 -4.78 118.33 116.90 1vs6 n VAL 116 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1vs6 n VAL 116 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1vs6 n VAL 116 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1vs6 n ASP 117 N -3.33 0.00 -3.13 6.55 8.00 -1.26 -4.55 116.55 118.83 1vs6 n ASP 117 Ca 0.00 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.13 1vs6 n ASP 117 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 1vs6 n ASP 117 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1vs6 n ARG 118 N 0.00 3.89 -1.52 -1.24 3.00 -1.26 -5.03 116.66 114.50 1vs6 n ARG 118 Ca 0.00 -4.22 -0.38 0.00 -0.00 0.00 0.00 57.85 53.25 1vs6 n ARG 118 Cb 0.00 -2.34 0.04 0.00 0.00 0.00 0.00 32.46 30.16 1vs6 n ARG 118 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1vs6 n SER 119 N -0.32 -0.41 -3.45 6.15 7.64 -1.26 -4.74 113.62 117.23 1vs6 n SER 119 Ca 0.47 0.77 -0.35 0.00 1.01 0.00 0.00 58.87 60.76 1vs6 n SER 119 Cb 0.31 -1.25 -0.03 0.00 -1.01 0.00 0.00 64.21 62.24 1vs6 n SER 119 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1vs6 n GLU 120 N -0.36 2.18 -5.05 1.43 -0.00 -1.26 -4.82 120.64 112.75 1vs6 n GLU 120 Ca 0.12 -1.88 -0.32 0.00 -0.00 0.00 0.00 57.16 55.08 1vs6 n GLU 120 Cb 0.47 -2.81 -0.17 0.00 -0.00 0.00 0.00 31.44 28.93 1vs6 n GLU 120 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1vs6 s LYS 121 N 3.84 3.07 -1.15 3.44 -0.14 -1.26 -5.02 119.74 122.53 1vs6 s LYS 121 Ca 0.51 -0.86 -0.07 0.00 -1.36 0.00 0.00 55.97 54.19 1vs6 s LYS 121 Cb 0.13 -2.36 -0.06 0.00 -1.68 0.00 0.00 37.83 33.86 1vs6 s LYS 121 CO 0.01 0.14 2.40 0.00 -0.76 0.00 0.00 175.35 177.14 1vs6 n ALA 122 N 3.65 5.67 -1.00 5.17 0.00 -1.26 -4.85 120.51 127.88 1vs6 n ALA 122 Ca -0.19 -2.50 0.00 0.00 0.00 0.00 0.00 53.44 50.75 1vs6 n ALA 122 Cb 0.53 -3.12 0.00 0.00 0.00 0.00 0.00 19.45 16.86 1vs6 n ALA 122 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vs6 n GLU 123 N 3.98 1.29 0.00 0.00 1.02 -1.26 -5.12 120.64 120.55 1vs6 n GLU 123 Ca 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 1vs6 n GLU 123 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.59 1vs6 n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vs6 n ALA 124 N -3.00 0.00 -2.78 0.62 0.00 -1.26 -5.14 120.51 108.95 1vs6 n ALA 124 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1vs6 n ALA 124 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1vs6 n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs6 s ALA 125 N -1.70 3.51 0.00 0.00 0.00 -1.26 -5.07 121.76 117.24 1vs6 s ALA 125 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1vs6 s ALA 125 Cb 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 21.06 1vs6 s ALA 125 CO 0.00 0.08 0.00 0.00 0.00 0.00 0.00 175.76 175.84 1vs6 n ALA 126 N 3.72 0.00 -0.63 0.00 0.00 -1.26 -5.35 120.51 116.99 1vs6 n ALA 126 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1vs6 n ALA 126 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1vs6 n ALA 126 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59