#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs6 h ASP 2 N 0.00 0.00 0.00 3.17 3.04 -2.02 -3.37 116.42 117.25 1vs6 h ASP 2 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1vs6 h ASP 2 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1vs6 h ASP 2 CO 0.00 0.77 0.00 0.29 -2.04 0.00 0.00 179.24 178.26 1vs6 n LYS 3 N -2.98 0.00 -0.28 4.15 4.01 -1.26 -2.17 118.16 119.63 1vs6 n LYS 3 Ca -0.12 0.65 0.23 0.00 -0.51 0.00 0.00 58.31 58.56 1vs6 n LYS 3 Cb 0.93 -1.42 0.55 0.00 -0.51 0.00 0.00 35.03 34.58 1vs6 n LYS 3 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1vs6 h LYS 4 N 0.00 0.32 -1.70 1.97 3.64 -2.10 -3.45 116.57 115.26 1vs6 h LYS 4 Ca 0.00 -0.02 0.30 0.00 -1.27 0.00 0.00 60.65 59.66 1vs6 h LYS 4 Cb 0.00 -0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 31.64 1vs6 h LYS 4 CO 0.00 0.21 0.78 0.45 -2.27 0.00 0.00 179.45 178.63 1vs6 s SER 5 N -5.41 -0.06 0.00 4.20 0.15 -0.92 -5.01 113.70 106.64 1vs6 s SER 5 Ca -0.08 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.37 1vs6 s SER 5 Cb 0.24 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1vs6 s SER 5 CO 0.79 -0.41 0.00 0.00 1.20 0.00 0.00 173.24 174.82 1vs6 n ALA 6 N -0.55 0.00 0.04 5.45 0.00 -1.26 -3.84 120.51 120.35 1vs6 n ALA 6 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1vs6 n ALA 6 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1vs6 n ALA 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vs6 n ARG 7 N 0.00 0.64 -4.11 0.00 5.12 -1.26 -4.64 116.66 112.41 1vs6 n ARG 7 Ca 0.00 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.68 1vs6 n ARG 7 Cb 0.07 -1.18 -0.07 0.00 -1.16 0.00 0.00 32.46 30.12 1vs6 n ARG 7 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1vs6 s ILE 8 N 0.59 2.77 -1.46 0.55 1.09 -1.26 -4.98 121.20 118.50 1vs6 s ILE 8 Ca 0.00 -1.72 0.00 0.00 -1.10 0.00 0.00 60.65 57.83 1vs6 s ILE 8 Cb 0.00 -2.96 0.00 0.00 -1.06 0.00 0.00 42.46 38.44 1vs6 s ILE 8 CO 0.00 -0.13 0.10 -1.14 -0.10 0.00 0.00 174.94 173.67 1vs6 n ARG 9 N -1.16 0.00 0.16 2.79 0.63 -1.26 -2.48 116.66 115.33 1vs6 n ARG 9 Ca -0.02 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.94 1vs6 n ARG 9 Cb 0.62 -1.14 0.21 0.00 0.45 0.00 0.00 32.46 32.61 1vs6 n ARG 9 CO 0.00 0.00 0.00 0.07 -2.51 0.00 0.00 177.63 175.19 1vs6 h ARG 10 N 0.00 0.00 -0.45 -0.14 0.11 -1.86 -3.19 114.38 108.85 1vs6 h ARG 10 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1vs6 h ARG 10 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1vs6 h ARG 10 CO 0.00 0.47 0.00 0.00 0.10 0.00 0.00 179.97 180.54 1vs6 n ALA 11 N -2.29 2.35 -0.25 0.08 0.00 -1.04 -4.53 120.51 114.82 1vs6 n ALA 11 Ca 0.00 -1.09 -0.07 0.00 0.00 0.00 0.00 53.44 52.28 1vs6 n ALA 11 Cb 0.60 -0.72 0.05 0.00 0.00 0.00 0.00 19.45 19.39 1vs6 n ALA 11 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1vs6 h THR 12 N 3.55 1.26 0.00 0.00 1.35 -1.76 -3.19 112.91 114.12 1vs6 h THR 12 Ca 0.00 -0.98 -0.25 0.00 -0.55 0.00 0.00 66.41 64.63 1vs6 h THR 12 Cb 0.87 0.54 -0.04 0.00 -1.73 0.00 0.00 68.15 67.78 1vs6 h THR 12 CO 0.00 0.38 -1.57 0.03 -0.25 0.00 0.00 175.52 174.11 1vs6 h ARG 13 N 1.08 0.00 -0.80 4.72 -0.00 -1.80 -3.34 114.38 114.23 1vs6 h ARG 13 Ca 0.22 0.00 0.23 0.00 -0.50 0.00 0.00 59.98 59.93 1vs6 h ARG 13 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.32 1vs6 h ARG 13 CO 0.00 0.46 0.75 0.00 0.00 0.00 0.00 179.97 181.18 1vs6 h ALA 14 N 1.13 2.63 -0.25 0.04 0.00 -1.79 0.60 119.26 121.63 1vs6 h ALA 14 Ca -0.23 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.37 1vs6 h ALA 14 Cb 1.87 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 19.61 1vs6 h ALA 14 CO 0.07 -1.16 0.07 0.54 0.00 0.00 0.00 179.25 178.77 1vs6 n ARG 15 N -3.76 1.91 0.00 0.00 5.12 -1.24 -4.15 116.66 114.53 1vs6 n ARG 15 Ca 0.17 -1.34 0.13 0.00 -1.93 0.00 0.00 57.85 54.88 1vs6 n ARG 15 Cb 1.02 -1.80 0.50 0.00 -1.16 0.00 0.00 32.46 31.03 1vs6 n ARG 15 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1vs6 n ARG 16 N 1.42 0.25 -0.06 5.56 3.00 0.20 -3.78 116.66 123.25 1vs6 n ARG 16 Ca 0.35 -0.09 0.17 0.00 -0.00 0.00 0.00 57.85 58.28 1vs6 n ARG 16 Cb 0.67 -1.50 0.59 0.00 0.00 0.00 0.00 32.46 32.23 1vs6 n ARG 16 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1vs6 h LYS 17 N 0.22 0.20 -6.39 -0.14 3.64 -1.85 -2.47 116.57 109.77 1vs6 h LYS 17 Ca 0.00 -0.01 -0.55 0.00 -1.27 0.00 0.00 60.65 58.82 1vs6 h LYS 17 Cb 0.45 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 1vs6 h LYS 17 CO 0.00 0.13 0.04 -0.48 -2.27 0.00 0.00 179.45 176.87 1vs6 s LEU 18 N -9.06 4.46 0.00 5.20 0.05 -1.25 -1.67 118.68 116.41 1vs6 s LEU 18 Ca -0.06 1.34 0.00 0.00 0.05 0.00 0.00 54.13 55.46 1vs6 s LEU 18 Cb 0.20 -3.22 0.00 0.00 -2.05 0.00 0.00 46.19 41.12 1vs6 s LEU 18 CO 0.74 0.17 0.00 1.67 -0.55 0.00 0.00 176.35 178.38 1vs6 n GLN 19 N 1.26 0.00 0.12 1.48 7.27 -1.26 -3.82 117.38 122.43 1vs6 n GLN 19 Ca -0.06 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 56.98 1vs6 n GLN 19 Cb 0.51 0.00 0.17 0.00 2.41 0.00 0.00 30.24 33.32 1vs6 n GLN 19 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1vs6 h GLU 20 N 0.00 0.11 0.00 3.69 4.39 -1.76 -3.44 114.58 117.57 1vs6 h GLU 20 Ca 0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1vs6 h GLU 20 Cb 0.00 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1vs6 h GLU 20 CO 0.00 0.66 0.00 -0.11 -1.16 0.00 0.00 179.01 178.40 1vs6 n LEU 21 N -3.87 0.00 -0.28 1.33 -0.00 -0.67 0.66 117.00 114.18 1vs6 n LEU 21 Ca -0.02 0.00 0.33 0.00 -0.00 0.00 0.00 56.01 56.32 1vs6 n LEU 21 Cb 0.59 0.00 0.59 0.00 -0.00 0.00 0.00 43.42 44.61 1vs6 n LEU 21 CO 0.43 0.00 1.30 1.23 -0.00 0.00 0.00 177.39 180.35 1vs6 h GLY 22 N 0.00 0.00 -6.62 -3.96 0.00 -1.85 -3.41 103.07 87.23 1vs6 h GLY 22 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.64 1vs6 h GLY 22 CO 0.00 0.00 1.20 0.00 0.00 0.00 0.00 176.54 177.74 1vs6 n ALA 23 N -2.44 0.58 -2.57 3.60 0.00 0.21 -4.46 120.51 115.43 1vs6 n ALA 23 Ca 0.25 0.15 -0.35 0.00 0.00 0.00 0.00 53.44 53.49 1vs6 n ALA 23 Cb 1.47 -2.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 1vs6 n ALA 23 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1vs6 s THR 24 N 5.59 5.09 0.53 0.00 -4.23 -1.26 -4.25 115.64 117.11 1vs6 s THR 24 Ca 1.04 0.52 0.06 0.00 -1.18 0.00 0.00 61.69 62.14 1vs6 s THR 24 Cb -0.95 -3.65 0.04 0.00 1.34 0.00 0.00 72.50 69.28 1vs6 s THR 24 CO 0.56 0.36 0.45 0.00 -0.54 0.00 0.00 174.62 175.45 1vs6 s ARG 25 N -1.71 2.28 -0.01 3.99 3.03 -1.25 0.12 118.95 125.40 1vs6 s ARG 25 Ca 0.30 -1.93 0.01 0.00 2.03 0.00 0.00 55.73 56.15 1vs6 s ARG 25 Cb -0.14 -2.19 -0.02 0.00 -1.03 0.00 0.00 34.95 31.57 1vs6 s ARG 25 CO 0.17 -0.60 0.02 1.28 -1.13 0.00 0.00 175.30 175.03 1vs6 n LEU 26 N -1.80 0.00 0.00 -1.89 4.32 0.14 -3.89 117.00 113.89 1vs6 n LEU 26 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 1vs6 n LEU 26 Cb 0.64 0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.45 1vs6 n LEU 26 CO 0.39 0.01 0.00 0.52 -1.22 0.00 0.00 177.39 177.10 1vs6 n VAL 27 N -1.76 0.00 -1.31 4.08 0.31 -1.26 -4.01 118.33 114.38 1vs6 n VAL 27 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1vs6 n VAL 27 Cb 0.25 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 1vs6 n VAL 27 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1vs6 n VAL 28 N 0.00 -4.54 -4.54 2.52 0.31 -1.21 -4.41 118.33 106.46 1vs6 n VAL 28 Ca 0.00 1.97 -0.25 0.00 -0.01 0.00 0.00 64.34 66.04 1vs6 n VAL 28 Cb 0.00 -2.72 -0.11 0.00 -0.91 0.00 0.00 33.84 30.10 1vs6 n VAL 28 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1vs6 s HIS 29 N -2.98 2.30 0.00 3.52 2.46 0.21 -4.87 115.29 115.94 1vs6 s HIS 29 Ca 0.00 -0.65 0.00 0.00 0.47 0.00 0.00 55.06 54.88 1vs6 s HIS 29 Cb 0.00 -1.46 0.00 0.00 -0.13 0.00 0.00 32.58 30.99 1vs6 s HIS 29 CO 0.00 0.41 0.00 0.54 -2.47 0.00 0.00 174.74 173.22 1vs6 n ARG 30 N -0.80 0.00 -1.96 2.88 1.74 -1.26 -4.38 116.66 112.88 1vs6 n ARG 30 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1vs6 n ARG 30 Cb 0.65 -0.28 0.00 0.00 -1.02 0.00 0.00 32.46 31.81 1vs6 n ARG 30 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1vs6 n THR 31 N -2.17 -0.85 0.00 0.55 5.66 -1.26 -3.90 114.28 112.30 1vs6 n THR 31 Ca 0.00 0.13 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 1vs6 n THR 31 Cb 0.00 -1.63 0.00 0.00 -1.55 0.00 0.00 70.33 67.15 1vs6 n THR 31 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1vs6 n PRO 32 N 1.53 0.00 -0.05 1.09 -0.02 -1.26 -0.09 135.00 136.20 1vs6 n PRO 32 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 1vs6 n PRO 32 Cb 0.13 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.48 1vs6 n PRO 32 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vs6 h ARG 33 N 0.00 0.04 0.00 -0.52 3.08 -2.03 -3.48 114.38 111.47 1vs6 h ARG 33 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1vs6 h ARG 33 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1vs6 h ARG 33 CO 0.00 0.91 0.00 0.72 -1.07 0.00 0.00 179.97 180.53 1vs6 n HIS 34 N -4.61 0.00 0.00 3.04 8.25 0.88 -5.04 115.22 117.73 1vs6 n HIS 34 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1vs6 n HIS 34 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1vs6 n HIS 34 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1vs6 n ILE 35 N 0.00 0.00 -2.82 1.59 -0.00 -1.25 -4.39 119.36 112.49 1vs6 n ILE 35 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1vs6 n ILE 35 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 1vs6 n ILE 35 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 1vs6 n TYR 36 N -0.49 -1.41 0.00 4.28 4.02 -1.26 0.67 117.16 122.97 1vs6 n TYR 36 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1vs6 n TYR 36 Cb 0.00 0.16 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 1vs6 n TYR 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1vs6 n ALA 37 N 0.24 0.00 -1.66 -0.72 0.00 -1.26 -4.01 120.51 113.11 1vs6 n ALA 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vs6 n ALA 37 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vs6 n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs6 n GLN 38 N 0.00 -4.69 -3.98 0.00 10.64 -1.25 -3.31 117.38 114.79 1vs6 n GLN 38 Ca 0.00 3.42 -0.31 0.00 -1.83 0.00 0.00 57.00 58.28 1vs6 n GLN 38 Cb 0.00 -3.80 -0.15 0.00 -0.86 0.00 0.00 30.24 25.43 1vs6 n GLN 38 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1vs6 s VAL 39 N -2.50 2.04 0.24 -0.39 1.01 -1.26 -4.30 120.40 115.24 1vs6 s VAL 39 Ca 0.00 -2.09 0.02 0.00 0.00 0.00 0.00 61.98 59.90 1vs6 s VAL 39 Cb 0.00 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1vs6 s VAL 39 CO 0.00 -0.53 0.41 0.27 0.00 0.00 0.00 175.10 175.25 1vs6 s ILE 40 N 1.04 5.21 1.04 2.22 -0.00 -1.25 -2.57 121.20 126.89 1vs6 s ILE 40 Ca 0.08 -0.61 -0.12 0.00 -0.00 0.00 0.00 60.65 60.00 1vs6 s ILE 40 Cb -0.19 -3.80 0.21 0.00 -0.00 0.00 0.00 42.46 38.68 1vs6 s ILE 40 CO -0.10 -0.31 1.08 0.00 -0.00 0.00 0.00 174.94 175.61 1vs6 s ALA 41 N -2.00 0.49 0.00 2.27 0.00 -1.21 -3.95 121.76 117.36 1vs6 s ALA 41 Ca 0.37 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1vs6 s ALA 41 Cb -0.10 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1vs6 s ALA 41 CO 0.31 -3.25 0.00 -0.35 0.00 0.00 0.00 175.76 172.47 1vs6 n PRO 42 N -4.53 0.00 0.00 0.00 -0.04 -1.26 -4.52 135.00 124.65 1vs6 n PRO 42 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1vs6 n PRO 42 Cb 0.54 -0.41 0.00 0.00 -0.04 0.00 0.00 33.50 33.59 1vs6 n PRO 42 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1vs6 n ASN 43 N 0.00 0.07 0.00 3.54 4.13 -1.26 -4.82 115.26 116.92 1vs6 n ASN 43 Ca 0.00 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.28 1vs6 n ASN 43 Cb 0.00 0.00 0.13 0.00 -1.54 0.00 0.00 39.78 38.37 1vs6 n ASN 43 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1vs6 n GLY 44 N 1.55 -0.25 2.53 7.41 0.00 -1.26 -3.13 105.19 112.04 1vs6 n GLY 44 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1vs6 n GLY 44 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1vs6 n SER 45 N -1.10 -0.56 0.00 1.61 2.88 -1.26 -4.90 113.62 110.29 1vs6 n SER 45 Ca 0.03 -3.09 0.00 0.00 -1.33 0.00 0.00 58.87 54.48 1vs6 n SER 45 Cb 0.02 0.50 0.02 0.00 -0.75 0.00 0.00 64.21 64.01 1vs6 n SER 45 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1vs6 n GLU 46 N 0.10 0.00 -0.00 -1.46 -0.58 -1.18 -2.58 120.64 114.94 1vs6 n GLU 46 Ca 0.11 0.50 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 1vs6 n GLU 46 Cb 0.73 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 1vs6 n GLU 46 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1vs6 n VAL 47 N -1.52 0.55 -4.22 2.62 0.24 -1.26 -4.64 118.33 110.10 1vs6 n VAL 47 Ca 0.00 -0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 1vs6 n VAL 47 Cb 0.01 -0.78 -0.10 0.00 -1.47 0.00 0.00 33.84 31.50 1vs6 n VAL 47 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1vs6 s LEU 48 N 0.00 2.52 0.00 1.34 0.20 -1.07 -4.99 118.68 116.68 1vs6 s LEU 48 Ca 0.00 -1.00 -0.12 0.00 0.69 0.00 0.00 54.13 53.71 1vs6 s LEU 48 Cb 0.00 -0.27 0.04 0.00 -0.43 0.00 0.00 46.19 45.53 1vs6 s LEU 48 CO 0.00 -0.36 0.54 0.55 -0.29 0.00 0.00 176.35 176.79 1vs6 n VAL 49 N -0.10 0.00 0.00 1.68 3.14 -1.06 -4.20 118.33 117.79 1vs6 n VAL 49 Ca -0.11 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.08 1vs6 n VAL 49 Cb 0.60 0.33 0.00 0.00 -1.06 0.00 0.00 33.84 33.71 1vs6 n VAL 49 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1vs6 n ALA 50 N -1.97 0.00 -2.82 1.55 0.00 -1.24 -4.41 120.51 111.62 1vs6 n ALA 50 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 1vs6 n ALA 50 Cb 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.59 1vs6 n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs6 s ALA 51 N -2.00 0.23 0.00 0.00 0.00 -1.26 -4.81 121.76 113.91 1vs6 s ALA 51 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1vs6 s ALA 51 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.07 1vs6 s ALA 51 CO 0.00 0.05 0.00 -1.13 0.00 0.00 0.00 175.76 174.68 1vs6 n SER 52 N 2.97 0.00 0.03 0.00 3.41 -1.26 -3.82 113.62 114.95 1vs6 n SER 52 Ca -0.13 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.56 1vs6 n SER 52 Cb 0.59 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.45 1vs6 n SER 52 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1vs6 n THR 53 N 0.00 0.56 -2.15 6.66 -2.24 -1.26 -4.73 114.28 111.12 1vs6 n THR 53 Ca 0.00 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1vs6 n THR 53 Cb 0.00 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 1vs6 n THR 53 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1vs6 n VAL 54 N -2.57 -1.19 -0.31 2.28 0.24 -1.26 -4.77 118.33 110.74 1vs6 n VAL 54 Ca -0.06 0.29 -0.08 0.00 -2.04 0.00 0.00 64.34 62.45 1vs6 n VAL 54 Cb 0.66 -1.84 -0.07 0.00 -1.47 0.00 0.00 33.84 31.12 1vs6 n VAL 54 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1vs6 n GLU 55 N 1.06 -0.32 -1.47 7.34 0.28 -1.26 -4.15 120.64 122.12 1vs6 n GLU 55 Ca 0.00 1.13 -0.46 0.00 -0.16 0.00 0.00 57.16 57.67 1vs6 n GLU 55 Cb 0.29 -1.67 -0.08 0.00 1.43 0.00 0.00 31.44 31.41 1vs6 n GLU 55 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1vs6 n LYS 56 N -4.95 0.80 0.00 3.44 0.00 -0.92 0.95 118.16 117.48 1vs6 n LYS 56 Ca 0.02 0.16 0.00 0.00 0.00 0.00 0.00 58.31 58.48 1vs6 n LYS 56 Cb 0.20 -2.43 0.00 0.00 0.00 0.00 0.00 35.03 32.80 1vs6 n LYS 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vs6 n ALA 57 N 11.17 0.18 -0.12 3.14 0.00 -1.26 -4.89 120.51 128.73 1vs6 n ALA 57 Ca 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.75 1vs6 n ALA 57 Cb 0.24 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.57 1vs6 n ALA 57 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1vs6 n ILE 58 N 0.00 1.42 0.00 0.00 -5.35 -1.26 -4.97 119.36 109.20 1vs6 n ILE 58 Ca 0.00 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.84 1vs6 n ILE 58 Cb 0.00 -1.13 0.00 0.00 -1.74 0.00 0.00 39.64 36.77 1vs6 n ILE 58 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1vs6 n ALA 59 N -3.09 0.00 0.05 -1.28 0.00 -1.26 -4.98 120.51 109.96 1vs6 n ALA 59 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1vs6 n ALA 59 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.47 1vs6 n ALA 59 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1vs6 n GLU 60 N 0.00 0.00 -0.24 0.00 0.28 -1.26 -4.75 120.64 114.66 1vs6 n GLU 60 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.96 1vs6 n GLU 60 Cb 0.00 -0.42 0.02 0.00 1.43 0.00 0.00 31.44 32.47 1vs6 n GLU 60 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1vs6 n GLN 61 N -3.42 1.19 -2.78 3.44 6.02 -1.26 -2.18 117.38 118.39 1vs6 n GLN 61 Ca 0.00 -0.43 -0.06 0.00 -0.01 0.00 0.00 57.00 56.49 1vs6 n GLN 61 Cb 0.00 -1.17 0.01 0.00 1.02 0.00 0.00 30.24 30.10 1vs6 n GLN 61 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1vs6 n LEU 62 N 0.41 -7.39 -4.24 1.08 -0.00 0.27 -4.57 117.00 102.55 1vs6 n LEU 62 Ca 0.09 0.42 -0.09 0.00 -0.00 0.00 0.00 56.01 56.42 1vs6 n LEU 62 Cb 0.65 -3.23 -0.06 0.00 -0.00 0.00 0.00 43.42 40.77 1vs6 n LEU 62 CO 0.09 -2.04 1.03 1.17 -0.00 0.00 0.00 177.39 177.65 1vs6 n LYS 63 N -0.52 0.04 -3.70 1.96 3.00 -1.26 -4.78 118.16 112.90 1vs6 n LYS 63 Ca 0.10 -0.87 -0.14 0.00 -0.00 0.00 0.00 58.31 57.39 1vs6 n LYS 63 Cb 0.44 -2.50 -0.09 0.00 0.00 0.00 0.00 35.03 32.89 1vs6 n LYS 63 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1vs6 s TYR 64 N 8.93 -0.39 -0.05 5.64 4.12 -1.26 -4.93 117.35 129.41 1vs6 s TYR 64 Ca 0.43 0.79 0.02 0.00 0.02 0.00 0.00 57.07 58.34 1vs6 s TYR 64 Cb -0.01 0.18 0.01 0.00 -1.52 0.00 0.00 41.96 40.62 1vs6 s TYR 64 CO 0.11 -0.37 -0.11 -0.08 0.02 0.00 0.00 175.55 175.13 1vs6 s THR 65 N -0.67 1.01 -1.83 -0.71 -1.32 -1.26 -5.09 115.64 105.76 1vs6 s THR 65 Ca -0.08 -0.42 0.00 0.00 -1.21 0.00 0.00 61.69 59.98 1vs6 s THR 65 Cb -0.03 -0.93 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 1vs6 s THR 65 CO 0.04 0.32 0.00 0.61 -2.21 0.00 0.00 174.62 173.38 1vs6 n GLY 66 N 3.73 0.74 0.00 6.08 0.00 -1.26 -4.78 105.19 109.70 1vs6 n GLY 66 Ca -0.22 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.62 1vs6 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vs6 n ASN 67 N 1.10 0.00 -3.62 1.61 5.03 -1.26 -4.60 115.26 113.52 1vs6 n ASN 67 Ca 0.00 -0.14 0.00 0.00 0.87 0.00 0.00 54.58 55.31 1vs6 n ASN 67 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1vs6 n ASN 67 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1vs6 n LYS 68 N 0.00 1.33 0.18 3.52 4.01 -1.26 -3.41 118.16 122.52 1vs6 n LYS 68 Ca 0.00 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 57.90 1vs6 n LYS 68 Cb 0.03 0.00 0.55 0.00 -0.51 0.00 0.00 35.03 35.10 1vs6 n LYS 68 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 1vs6 h ASP 69 N 0.00 0.00 0.26 4.39 5.19 -1.94 0.14 116.42 124.46 1vs6 h ASP 69 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1vs6 h ASP 69 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1vs6 h ASP 69 CO 0.00 0.00 -0.13 0.00 -3.12 0.00 0.00 179.24 175.99 1vs6 h ALA 70 N 1.69 -0.58 0.09 3.45 0.00 -1.97 -2.99 119.26 118.94 1vs6 h ALA 70 Ca 0.00 -0.08 -0.28 0.00 0.00 0.00 0.00 54.91 54.56 1vs6 h ALA 70 Cb 0.24 0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.19 1vs6 h ALA 70 CO 0.00 -0.56 -1.14 0.00 0.00 0.00 0.00 179.25 177.55 1vs6 h ALA 71 N -1.57 0.01 -0.68 0.00 0.00 -1.68 -3.31 119.26 112.04 1vs6 h ALA 71 Ca -0.04 -0.74 0.10 0.00 0.00 0.00 0.00 54.91 54.24 1vs6 h ALA 71 Cb 0.27 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1vs6 h ALA 71 CO 0.06 0.64 0.29 0.00 0.00 0.00 0.00 179.25 180.24 1vs6 h ALA 72 N 0.29 0.91 -0.38 0.00 0.00 -0.75 -1.25 119.26 118.08 1vs6 h ALA 72 Ca -0.17 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1vs6 h ALA 72 Cb 1.82 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1vs6 h ALA 72 CO 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1vs6 n ALA 73 N -2.46 -0.30 0.11 0.00 0.00 -1.13 -1.82 120.51 114.91 1vs6 n ALA 73 Ca 0.11 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.74 1vs6 n ALA 73 Cb 0.30 0.15 0.68 0.00 0.00 0.00 0.00 19.45 20.58 1vs6 n ALA 73 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1vs6 h VAL 74 N 0.00 0.22 -0.23 0.00 -1.51 -1.62 0.43 116.25 113.54 1vs6 h VAL 74 Ca 0.00 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 65.54 1vs6 h VAL 74 Cb 0.00 0.52 -0.01 0.00 -2.13 0.00 0.00 31.29 29.67 1vs6 h VAL 74 CO 0.00 0.00 0.29 1.23 -1.23 0.00 0.00 177.57 177.86 1vs6 h GLY 75 N 0.00 0.00 0.00 5.19 0.00 -0.44 -2.39 103.07 105.43 1vs6 h GLY 75 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.16 1vs6 h GLY 75 CO -0.00 0.00 -2.34 1.17 0.00 0.00 0.00 176.54 175.37 1vs6 n LYS 76 N -3.64 0.56 -0.20 4.80 3.00 0.15 -4.62 118.16 118.21 1vs6 n LYS 76 Ca 0.03 0.16 0.03 0.00 -0.00 0.00 0.00 58.31 58.53 1vs6 n LYS 76 Cb 0.41 -1.44 0.07 0.00 0.00 0.00 0.00 35.03 34.08 1vs6 n LYS 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vs6 n ALA 77 N -3.43 0.11 0.30 3.14 0.00 -0.90 -0.44 120.51 119.29 1vs6 n ALA 77 Ca -0.43 0.61 -0.15 0.00 0.00 0.00 0.00 53.44 53.47 1vs6 n ALA 77 Cb 0.91 -0.36 -0.08 0.00 0.00 0.00 0.00 19.45 19.92 1vs6 n ALA 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vs6 h VAL 78 N 0.00 0.00 -0.91 0.00 2.07 -1.81 0.72 116.25 116.32 1vs6 h VAL 78 Ca 0.26 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.89 1vs6 h VAL 78 Cb 0.40 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.09 1vs6 h VAL 78 CO -0.58 0.00 0.55 0.00 0.02 0.00 0.00 177.57 177.56 1vs6 h ALA 79 N -1.23 1.35 0.25 1.67 0.00 -0.89 0.11 119.26 120.51 1vs6 h ALA 79 Ca -0.07 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1vs6 h ALA 79 Cb 0.74 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1vs6 h ALA 79 CO 0.03 0.14 -0.12 1.49 0.00 0.00 0.00 179.25 180.79 1vs6 h GLU 80 N 0.87 -0.32 -0.28 0.00 4.22 -0.62 -1.36 114.58 117.10 1vs6 h GLU 80 Ca 0.45 0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.97 1vs6 h GLU 80 Cb 0.45 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1vs6 h GLU 80 CO -0.27 -0.21 -0.06 0.00 -2.18 0.00 0.00 179.01 176.29 1vs6 h ARG 81 N -0.34 0.01 -0.36 1.92 3.08 -0.77 -1.51 114.38 116.41 1vs6 h ARG 81 Ca -0.03 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.10 1vs6 h ARG 81 Cb 0.25 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1vs6 h ARG 81 CO 0.06 0.01 0.25 0.00 -1.07 0.00 0.00 179.97 179.21 1vs6 h ALA 82 N 1.27 2.23 -0.93 0.04 0.00 -0.85 -1.29 119.26 119.73 1vs6 h ALA 82 Ca 0.13 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.40 1vs6 h ALA 82 Cb 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.68 1vs6 h ALA 82 CO -0.27 -0.33 0.51 1.28 0.00 0.00 0.00 179.25 180.44 1vs6 n LEU 83 N -4.45 7.02 -0.27 0.00 4.77 -0.51 -4.71 117.00 118.85 1vs6 n LEU 83 Ca 0.05 -4.33 0.31 0.00 -0.03 0.00 0.00 56.01 52.02 1vs6 n LEU 83 Cb 0.38 -0.84 0.72 0.00 -2.33 0.00 0.00 43.42 41.35 1vs6 n LEU 83 CO 0.35 1.56 1.29 1.05 -1.33 0.00 0.00 177.39 180.32 1vs6 h GLU 84 N 1.95 0.04 -0.56 3.23 9.09 -1.00 -1.57 114.58 125.75 1vs6 h GLU 84 Ca 0.55 -0.00 0.08 0.00 0.05 0.00 0.00 59.36 60.05 1vs6 h GLU 84 Cb 1.10 -0.01 -0.07 0.00 -1.65 0.00 0.00 28.75 28.12 1vs6 h GLU 84 CO 1.37 0.02 0.20 0.87 0.05 0.00 0.00 179.01 181.53 1vs6 h LYS 85 N 0.04 0.36 -0.00 1.06 6.56 -1.86 -2.96 116.57 119.76 1vs6 h LYS 85 Ca 0.51 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 60.08 1vs6 h LYS 85 Cb 1.98 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 33.55 1vs6 h LYS 85 CO -0.03 0.24 -0.07 0.41 -2.06 0.00 0.00 179.45 177.94 1vs6 n GLY 86 N -1.28 -1.22 0.00 3.86 0.00 -0.59 -4.47 105.19 101.48 1vs6 n GLY 86 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1vs6 n GLY 86 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1vs6 n ILE 87 N -1.25 0.00 0.31 -0.61 -5.35 -1.12 -1.22 119.36 110.12 1vs6 n ILE 87 Ca 0.12 1.33 0.18 0.00 -0.27 0.00 0.00 62.75 64.11 1vs6 n ILE 87 Cb 0.28 -1.94 1.03 0.00 -1.74 0.00 0.00 39.64 37.27 1vs6 n ILE 87 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1vs6 h LYS 88 N 0.00 0.00 0.00 6.28 3.64 -1.83 -0.28 116.57 124.38 1vs6 h LYS 88 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1vs6 h LYS 88 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1vs6 h LYS 88 CO 0.00 0.01 0.00 -3.47 -2.27 0.00 0.00 179.45 173.72 1vs6 n ASP 89 N -3.47 0.00 -2.38 4.20 2.03 -0.36 -4.81 116.55 111.77 1vs6 n ASP 89 Ca -0.03 0.13 -0.00 0.00 0.52 0.00 0.00 54.79 55.41 1vs6 n ASP 89 Cb 0.10 -0.25 -0.00 0.00 -0.72 0.00 0.00 41.12 40.25 1vs6 n ASP 89 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1vs6 n VAL 90 N -1.25-13.34 0.00 5.18 0.31 -0.42 -4.95 118.33 103.86 1vs6 n VAL 90 Ca 0.04 3.14 0.00 0.00 -0.01 0.00 0.00 64.34 67.51 1vs6 n VAL 90 Cb 0.05 -6.10 0.00 0.00 -0.91 0.00 0.00 33.84 26.89 1vs6 n VAL 90 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1vs6 n SER 91 N 1.86 0.00 0.00 4.52 7.64 -1.26 -4.33 113.62 122.05 1vs6 n SER 91 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1vs6 n SER 91 Cb 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1vs6 n SER 91 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1vs6 n PHE 92 N 0.00 0.00 -3.41 1.43 7.35 0.12 -4.42 117.46 118.53 1vs6 n PHE 92 Ca 0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 1vs6 n PHE 92 Cb 0.00 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 39.74 1vs6 n PHE 92 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1vs6 s ASP 93 N 0.00 6.15 -1.13 -2.13 2.15 -1.26 0.27 116.67 120.72 1vs6 s ASP 93 Ca 0.00 -0.59 -0.20 0.00 0.43 0.00 0.00 52.55 52.19 1vs6 s ASP 93 Cb 0.00 -2.19 0.08 0.00 -0.30 0.00 0.00 42.92 40.51 1vs6 s ASP 93 CO 0.00 -0.44 1.52 -0.60 -0.17 0.00 0.00 175.17 175.48 1vs6 s ARG 94 N 1.92 3.78 0.00 4.34 3.52 -1.26 -4.87 118.95 126.38 1vs6 s ARG 94 Ca 0.09 -1.65 0.00 0.00 -0.13 0.00 0.00 55.73 54.04 1vs6 s ARG 94 Cb -0.18 -5.35 0.00 0.00 -1.56 0.00 0.00 34.95 27.87 1vs6 s ARG 94 CO 0.12 -2.14 0.00 0.45 -0.81 0.00 0.00 175.30 172.92 1vs6 n SER 95 N 8.13 0.00 0.00 -2.12 2.88 -1.26 -4.37 113.62 116.88 1vs6 n SER 95 Ca 0.38 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1vs6 n SER 95 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1vs6 n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vs6 n GLY 96 N -0.70 1.28 0.00 0.46 0.00 -1.26 -4.20 105.19 100.76 1vs6 n GLY 96 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1vs6 n GLY 96 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vs6 n PHE 97 N 0.00 0.00 -3.52 1.61 3.01 -1.26 -4.78 117.46 112.52 1vs6 n PHE 97 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.33 1vs6 n PHE 97 Cb 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 1vs6 n PHE 97 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1vs6 s GLN 98 N -1.68 0.92 -0.87 -1.08 -1.52 -1.26 -5.05 119.66 109.12 1vs6 s GLN 98 Ca 0.00 0.01 -0.00 0.00 -1.95 0.00 0.00 55.36 53.41 1vs6 s GLN 98 Cb 0.00 0.43 0.22 0.00 -0.22 0.00 0.00 33.01 33.44 1vs6 s GLN 98 CO 0.00 -0.33 0.76 0.98 -0.25 0.00 0.00 175.29 176.45 1vs6 n TYR 99 N 0.44 4.04 -3.63 0.91 9.36 -1.26 -4.83 117.16 122.18 1vs6 n TYR 99 Ca -0.14 -4.14 -0.13 0.00 3.32 0.00 0.00 57.90 56.81 1vs6 n TYR 99 Cb 0.59 -1.05 -0.07 0.00 -0.63 0.00 0.00 39.34 38.18 1vs6 n TYR 99 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1vs6 s HIS 100 N -1.46 -0.80 0.00 2.98 2.46 -1.26 -4.82 115.29 112.39 1vs6 s HIS 100 Ca 0.28 1.92 0.00 0.00 0.47 0.00 0.00 55.06 57.73 1vs6 s HIS 100 Cb -0.06 0.29 0.00 0.00 -0.13 0.00 0.00 32.58 32.69 1vs6 s HIS 100 CO -0.13 -0.39 0.00 0.41 -2.47 0.00 0.00 174.74 172.17 1vs6 n GLY 101 N 2.81 3.06 0.13 1.59 0.00 -1.26 -3.60 105.19 107.93 1vs6 n GLY 101 Ca -0.14 0.27 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 1vs6 n GLY 101 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1vs6 n ARG 102 N 8.16 -0.14 -0.36 1.61 0.63 -1.26 0.87 116.66 126.17 1vs6 n ARG 102 Ca 0.00 1.03 -0.03 0.00 -0.92 0.00 0.00 57.85 57.93 1vs6 n ARG 102 Cb 0.00 -1.53 0.10 0.00 0.45 0.00 0.00 32.46 31.48 1vs6 n ARG 102 CO 0.00 0.00 0.00 -0.39 -2.51 0.00 0.00 177.63 174.73 1vs6 h VAL 103 N 0.00 1.25 -0.10 5.15 -1.51 -1.88 -0.72 116.25 118.44 1vs6 h VAL 103 Ca 0.05 -0.49 0.02 0.00 -1.23 0.00 0.00 66.70 65.06 1vs6 h VAL 103 Cb 0.13 -0.15 -0.02 0.00 -2.13 0.00 0.00 31.29 29.11 1vs6 h VAL 103 CO -0.29 0.25 -0.05 -0.61 -1.23 0.00 0.00 177.57 175.64 1vs6 h GLN 104 N 1.31 -0.04 -0.55 5.19 4.15 -0.98 0.21 115.11 124.40 1vs6 h GLN 104 Ca 0.35 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.82 1vs6 h GLN 104 Cb -0.12 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.53 1vs6 h GLN 104 CO -0.07 -0.03 0.28 0.00 -1.93 0.00 0.00 178.83 177.08 1vs6 h ALA 105 N 1.05 0.72 -0.84 3.38 0.00 0.97 1.39 119.26 125.92 1vs6 h ALA 105 Ca 0.06 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1vs6 h ALA 105 Cb 0.12 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 1vs6 h ALA 105 CO -0.13 -0.06 0.52 1.25 0.00 0.00 0.00 179.25 180.83 1vs6 h LEU 106 N 0.54 0.81 0.13 0.00 7.12 -0.31 0.16 115.31 123.76 1vs6 h LEU 106 Ca 0.25 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.27 1vs6 h LEU 106 Cb 0.16 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.14 1vs6 h LEU 106 CO -0.17 0.52 -0.06 0.00 -0.13 0.00 0.00 178.44 178.59 1vs6 h ALA 107 N 1.40 -0.18 0.00 1.25 0.00 0.80 -3.24 119.26 119.29 1vs6 h ALA 107 Ca 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1vs6 h ALA 107 Cb 0.17 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1vs6 h ALA 107 CO -0.17 -0.18 0.12 0.38 0.00 0.00 0.00 179.25 179.39 1vs6 h ASP 108 N -1.02 0.00 1.45 0.00 3.04 0.19 0.71 116.42 120.79 1vs6 h ASP 108 Ca -0.02 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.77 1vs6 h ASP 108 Cb 0.29 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.58 1vs6 h ASP 108 CO 0.03 0.00 -0.16 0.00 -2.04 0.00 0.00 179.24 177.07 1vs6 h ALA 109 N 1.74 0.90 0.03 4.15 0.00 -0.74 -3.27 119.26 122.07 1vs6 h ALA 109 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 1vs6 h ALA 109 Cb 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1vs6 h ALA 109 CO 0.00 0.00 -1.95 0.00 0.00 0.00 0.00 179.25 177.30 1vs6 n ALA 110 N -1.88 1.35 0.26 0.00 0.00 0.24 -4.11 120.51 116.38 1vs6 n ALA 110 Ca 0.05 -0.85 0.10 0.00 0.00 0.00 0.00 53.44 52.74 1vs6 n ALA 110 Cb 0.46 -0.64 0.55 0.00 0.00 0.00 0.00 19.45 19.82 1vs6 n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs6 h ARG 111 N 0.02 0.00 -4.77 0.00 3.08 -1.47 -2.59 114.38 108.65 1vs6 h ARG 111 Ca -0.38 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 58.99 1vs6 h ARG 111 Cb 2.05 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.92 1vs6 h ARG 111 CO 0.06 0.00 -0.40 -1.83 -1.07 0.00 0.00 179.97 176.73 1vs6 s GLU 112 N -3.74 3.44 -1.31 0.04 1.03 -1.26 -4.25 118.70 112.66 1vs6 s GLU 112 Ca -0.02 -0.62 0.00 0.00 0.03 0.00 0.00 54.97 54.36 1vs6 s GLU 112 Cb 0.06 -3.84 0.00 0.00 -0.80 0.00 0.00 34.13 29.55 1vs6 s GLU 112 CO 0.18 -0.53 0.00 0.00 -1.33 0.00 0.00 175.26 173.59 1vs6 n ALA 113 N 5.23 -0.41 -3.54 -0.84 0.00 -1.26 -4.98 120.51 114.70 1vs6 n ALA 113 Ca -0.11 0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 1vs6 n ALA 113 Cb 0.49 -1.70 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 1vs6 n ALA 113 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1vs6 s GLY 114 N -2.39 -0.46 -0.08 0.00 0.00 -0.97 -4.79 107.32 98.62 1vs6 s GLY 114 Ca 0.00 0.40 -0.07 0.00 0.00 0.00 0.00 44.72 45.05 1vs6 s GLY 114 CO 0.00 0.13 0.12 -0.10 0.00 0.00 0.00 173.10 173.25 1vs6 n LEU 115 N -0.38 -1.99 -4.56 0.66 0.00 -1.26 -4.38 117.00 105.09 1vs6 n LEU 115 Ca -0.12 0.14 -0.31 0.00 0.00 0.00 0.00 56.01 55.72 1vs6 n LEU 115 Cb 0.63 -0.97 -0.04 0.00 0.00 0.00 0.00 43.42 43.03 1vs6 n LEU 115 CO 0.12 -0.61 1.40 -1.58 0.00 0.00 0.00 177.39 176.72 1vs6 s GLN 116 N -0.88 2.75 0.00 1.96 -0.44 -0.25 -4.83 119.66 117.97 1vs6 s GLN 116 Ca 0.07 -0.28 0.11 0.00 -2.50 0.00 0.00 55.36 52.76 1vs6 s GLN 116 Cb -0.01 -4.97 0.66 0.00 -1.64 0.00 0.00 33.01 27.05 1vs6 s GLN 116 CO 0.16 -3.05 1.10 1.19 0.50 0.00 0.00 175.29 175.19