#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mqo s ASP 5 N 0.00 3.51 0.27 4.38 1.47 -1.26 -4.85 116.67 120.19 3mqo s ASP 5 Ca 0.00 0.25 0.05 0.00 1.18 0.00 0.00 52.55 54.03 3mqo s ASP 5 Cb 0.00 -0.41 0.37 0.00 -0.34 0.00 0.00 42.92 42.54 3mqo s ASP 5 CO 0.00 -2.47 1.65 1.88 0.68 0.00 0.00 175.17 176.91 3mqo h TYR 6 N -1.38 0.32 0.05 2.11 0.05 -2.05 -1.41 116.97 114.65 3mqo h TYR 6 Ca -0.43 -0.10 -0.00 0.00 0.05 0.00 0.00 58.73 58.25 3mqo h TYR 6 Cb 1.25 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.93 3mqo h TYR 6 CO -0.80 0.69 -0.02 -0.22 -1.05 0.00 0.00 178.16 176.76 3mqo h LYS 7 N 0.21 -0.06 0.00 4.88 3.64 -2.00 -1.92 116.57 121.32 3mqo h LYS 7 Ca 0.01 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 3mqo h LYS 7 Cb 0.91 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 3mqo h LYS 7 CO 0.07 0.07 -0.49 1.79 -2.27 0.00 0.00 179.45 178.63 3mqo h THR 8 N -0.18 1.11 -0.30 1.00 1.35 -1.92 -1.82 112.91 112.15 3mqo h THR 8 Ca -0.01 -1.82 0.01 0.00 -0.55 0.00 0.00 66.41 64.05 3mqo h THR 8 Cb 0.16 2.05 -0.02 0.00 -1.73 0.00 0.00 68.15 68.61 3mqo h THR 8 CO 0.01 0.48 0.16 0.00 -0.25 0.00 0.00 175.52 175.92 3mqo h ALA 9 N 1.51 0.36 0.01 6.62 0.00 -1.17 0.16 119.26 126.76 3mqo h ALA 9 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3mqo h ALA 9 Cb 1.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3mqo h ALA 9 CO 0.06 -0.22 -0.18 0.35 0.00 0.00 0.00 179.25 179.27 3mqo h PHE 10 N 0.34 -0.46 0.00 0.00 3.57 -1.08 -1.31 116.94 117.99 3mqo h PHE 10 Ca 0.12 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 3mqo h PHE 10 Cb 0.01 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3mqo h PHE 10 CO -0.08 -0.26 -0.37 0.45 -2.23 0.00 0.00 178.31 175.82 3mqo h HIS 11 N -0.29 0.00 -0.02 0.41 3.86 -1.05 -3.18 115.15 114.88 3mqo h HIS 11 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3mqo h HIS 11 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 3mqo h HIS 11 CO -0.22 0.37 -0.23 1.47 0.86 0.00 0.00 177.93 180.18 3mqo n LEU 12 N -3.45 2.40 -4.62 2.43 -0.00 0.54 -4.26 117.00 110.04 3mqo n LEU 12 Ca 0.00 -0.83 -0.44 0.00 -0.00 0.00 0.00 56.01 54.74 3mqo n LEU 12 Cb 0.54 -0.01 -0.02 0.00 -0.00 0.00 0.00 43.42 43.93 3mqo n LEU 12 CO 0.37 0.42 0.69 0.00 -0.00 0.00 0.00 177.39 178.87 3mqo n ALA 13 N 0.58 0.17 0.66 1.47 0.00 -0.50 -4.87 120.51 118.03 3mqo n ALA 13 Ca 0.12 0.39 0.08 0.00 0.00 0.00 0.00 53.44 54.03 3mqo n ALA 13 Cb 0.52 -2.09 0.38 0.00 0.00 0.00 0.00 19.45 18.26 3mqo n ALA 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3mqo n PRO 14 N 0.87 0.10 -4.46 0.00 -0.04 -1.26 -4.71 135.00 125.50 3mqo n PRO 14 Ca 0.09 0.18 -0.24 0.00 -0.04 0.00 0.00 63.50 63.49 3mqo n PRO 14 Cb 0.32 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.18 3mqo n PRO 14 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3mqo s ILE 15 N -2.83 2.42 0.17 0.52 -4.36 -1.26 -5.03 121.20 110.83 3mqo s ILE 15 Ca 0.11 -2.39 -0.31 0.00 -0.26 0.00 0.00 60.65 57.80 3mqo s ILE 15 Cb 0.11 -2.29 -0.09 0.00 1.25 0.00 0.00 42.46 41.44 3mqo s ILE 15 CO 0.28 -0.41 1.42 -0.83 0.24 0.00 0.00 174.94 175.65 3mqo s GLY 16 N -3.50 2.05 0.05 6.27 0.00 0.34 -4.68 107.32 107.85 3mqo s GLY 16 Ca 0.30 1.22 0.08 0.00 0.00 0.00 0.00 44.72 46.32 3mqo s GLY 16 CO 0.14 2.34 -0.23 1.08 0.00 0.00 0.00 173.10 176.43 3mqo s LEU 17 N 0.55 2.18 -0.02 0.66 1.43 -1.26 -0.75 118.68 121.47 3mqo s LEU 17 Ca 0.63 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 3mqo s LEU 17 Cb -0.39 -1.10 0.01 0.00 0.03 0.00 0.00 46.19 44.74 3mqo s LEU 17 CO 0.35 0.20 -0.01 -0.69 0.23 0.00 0.00 176.35 176.42 3mqo s VAL 18 N -0.82 0.17 -0.33 -1.59 1.01 0.39 -2.58 120.40 116.64 3mqo s VAL 18 Ca 0.09 0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.94 3mqo s VAL 18 Cb -0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 3mqo s VAL 18 CO 0.02 0.10 0.30 -0.76 0.00 0.00 0.00 175.10 174.76 3mqo s LEU 19 N 0.52 4.40 0.28 3.92 1.43 -0.23 -1.28 118.68 127.72 3mqo s LEU 19 Ca -0.05 -0.24 0.11 0.00 -1.03 0.00 0.00 54.13 52.91 3mqo s LEU 19 Cb -0.08 -2.25 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 3mqo s LEU 19 CO -0.01 -0.26 -0.10 -0.94 0.23 0.00 0.00 176.35 175.27 3mqo s SER 20 N 1.73 4.00 -0.15 2.29 1.04 -0.31 -0.60 113.70 121.69 3mqo s SER 20 Ca 0.09 -0.90 -0.06 0.00 0.48 0.00 0.00 55.95 55.57 3mqo s SER 20 Cb -0.17 -0.52 0.07 0.00 0.10 0.00 0.00 66.02 65.50 3mqo s SER 20 CO 0.11 -0.01 0.32 -0.60 0.98 0.00 0.00 173.24 174.03 3mqo s ARG 21 N -3.60 0.22 -1.45 4.02 3.52 -0.46 -1.79 118.95 119.42 3mqo s ARG 21 Ca 0.31 0.83 -0.06 0.00 -0.13 0.00 0.00 55.73 56.68 3mqo s ARG 21 Cb -0.05 0.08 0.04 0.00 -1.56 0.00 0.00 34.95 33.46 3mqo s ARG 21 CO 0.17 -0.26 0.72 -0.25 -0.81 0.00 0.00 175.30 174.87 3mqo n ASP 22 N 5.24 -2.24 -1.53 -2.12 8.00 -1.13 -1.13 116.55 121.64 3mqo n ASP 22 Ca -0.09 -0.88 -0.19 0.00 0.71 0.00 0.00 54.79 54.34 3mqo n ASP 22 Cb 0.50 -3.59 -0.07 0.00 -0.02 0.00 0.00 41.12 37.94 3mqo n ASP 22 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3mqo n ARG 23 N -4.44 -1.34 -4.72 -1.24 1.74 -1.14 -4.99 116.66 100.54 3mqo n ARG 23 Ca -0.16 1.14 -0.33 0.00 -0.77 0.00 0.00 57.85 57.73 3mqo n ARG 23 Cb 0.61 -5.47 -0.12 0.00 -1.02 0.00 0.00 32.46 26.47 3mqo n ARG 23 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3mqo s VAL 24 N -2.73 3.38 -0.39 1.55 1.01 -0.29 -0.46 120.40 122.47 3mqo s VAL 24 Ca 0.00 -0.65 -0.28 0.00 0.00 0.00 0.00 61.98 61.05 3mqo s VAL 24 Cb 0.00 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 34.03 3mqo s VAL 24 CO 0.00 0.56 1.05 -0.63 0.00 0.00 0.00 175.10 176.08 3mqo s ILE 25 N -0.81 4.44 -0.10 2.22 1.01 0.29 -1.35 121.20 126.90 3mqo s ILE 25 Ca 0.13 1.40 0.07 0.00 0.00 0.00 0.00 60.65 62.25 3mqo s ILE 25 Cb -0.11 -4.45 -0.24 0.00 0.01 0.00 0.00 42.46 37.67 3mqo s ILE 25 CO 0.02 -0.67 0.44 -0.62 0.00 0.00 0.00 174.94 174.11 3mqo n GLU 26 N 7.14 0.68 -3.71 2.79 -0.58 0.23 0.33 120.64 127.53 3mqo n GLU 26 Ca 0.10 0.23 -0.14 0.00 -0.42 0.00 0.00 57.16 56.94 3mqo n GLU 26 Cb 0.48 -1.71 -0.08 0.00 -0.57 0.00 0.00 31.44 29.56 3mqo n GLU 26 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3mqo s ASP 27 N -6.29 -0.29 0.19 1.62 -1.08 -0.94 -4.65 116.67 105.23 3mqo s ASP 27 Ca -0.12 0.21 -0.16 0.00 -0.52 0.00 0.00 52.55 51.96 3mqo s ASP 27 Cb 0.07 0.36 0.02 0.00 -1.46 0.00 0.00 42.92 41.92 3mqo s ASP 27 CO 0.80 -0.49 0.48 0.00 0.52 0.00 0.00 175.17 176.47 3mqo s ASN 29 N -2.90 5.27 0.33 0.00 2.20 -1.07 -4.99 114.94 113.77 3mqo s ASN 29 Ca 0.12 -0.72 0.06 0.00 -0.94 0.00 0.00 52.86 51.38 3mqo s ASN 29 Cb -0.00 0.01 0.58 0.00 -2.00 0.00 0.00 41.25 39.84 3mqo s ASN 29 CO -0.01 -1.17 1.82 0.44 -2.94 0.00 0.00 177.10 175.24 3mqo h ASP 30 N 0.31 0.38 -0.77 3.54 3.32 -1.90 -2.57 116.42 118.73 3mqo h ASP 30 Ca -0.33 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 56.66 3mqo h ASP 30 Cb 1.29 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 3mqo h ASP 30 CO 0.42 0.56 0.49 -0.08 -1.72 0.00 0.00 179.24 178.91 3mqo h GLU 31 N 0.36 0.91 -0.12 3.56 4.57 -1.85 0.22 114.58 122.23 3mqo h GLU 31 Ca 0.07 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3mqo h GLU 31 Cb 0.50 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3mqo h GLU 31 CO 0.03 0.60 0.04 1.25 -1.18 0.00 0.00 179.01 179.76 3mqo h LEU 32 N 0.94 0.05 -0.70 1.64 5.85 -1.74 0.46 115.31 121.81 3mqo h LEU 32 Ca 0.32 0.01 0.09 0.00 0.84 0.00 0.00 57.88 59.14 3mqo h LEU 32 Cb 0.04 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 3mqo h LEU 32 CO -0.12 0.05 0.34 0.00 -0.34 0.00 0.00 178.44 178.37 3mqo h ALA 33 N 1.07 0.97 -0.18 1.25 0.00 -1.18 -2.08 119.26 119.10 3mqo h ALA 33 Ca 0.05 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3mqo h ALA 33 Cb 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3mqo h ALA 33 CO -0.05 -0.07 0.06 0.00 0.00 0.00 0.00 179.25 179.20 3mqo h ALA 34 N 1.43 0.24 -0.60 0.00 0.00 -0.13 0.51 119.26 120.71 3mqo h ALA 34 Ca 0.35 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.24 3mqo h ALA 34 Cb 0.38 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 3mqo h ALA 34 CO -0.28 -0.16 0.20 0.82 0.00 0.00 0.00 179.25 179.83 3mqo h ILE 35 N 0.13 0.73 -0.46 0.00 2.04 -0.53 -2.02 117.51 117.41 3mqo h ILE 35 Ca 0.06 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3mqo h ILE 35 Cb 0.20 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 3mqo h ILE 35 CO -0.00 0.07 0.00 0.49 0.00 0.00 0.00 178.15 178.70 3mqo n PHE 36 N -5.03 0.61 -3.52 1.37 3.72 -0.82 -4.84 117.46 108.94 3mqo n PHE 36 Ca 0.09 -0.30 -0.21 0.00 -0.05 0.00 0.00 57.45 56.98 3mqo n PHE 36 Cb 0.29 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.91 3mqo n PHE 36 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3mqo n ARG 37 N 0.92 -7.19 -2.91 -1.08 5.12 0.04 -1.03 116.66 110.53 3mqo n ARG 37 Ca 0.17 0.83 -0.08 0.00 -1.93 0.00 0.00 57.85 56.83 3mqo n ARG 37 Cb 0.42 -5.85 -0.02 0.00 -1.16 0.00 0.00 32.46 25.85 3mqo n ARG 37 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3mqo s ALA 39 N -2.27 3.62 0.25 0.00 0.00 -1.26 -4.33 121.76 117.78 3mqo s ALA 39 Ca 0.16 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 3mqo s ALA 39 Cb -0.00 -2.30 0.49 0.00 0.00 0.00 0.00 23.12 21.31 3mqo s ALA 39 CO 0.12 0.23 1.75 0.00 0.00 0.00 0.00 175.76 177.86 3mqo h ARG 40 N 1.64 0.55 -0.21 0.00 3.08 -1.92 -0.71 114.38 116.82 3mqo h ARG 40 Ca -0.48 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 59.60 3mqo h ARG 40 Cb 1.19 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 3mqo h ARG 40 CO 0.66 0.37 0.20 0.00 -1.07 0.00 0.00 179.97 180.13 3mqo h ALA 41 N 1.54 1.92 0.00 0.04 0.00 -1.95 0.45 119.26 121.26 3mqo h ALA 41 Ca 0.44 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 3mqo h ALA 41 Cb 0.62 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3mqo h ALA 41 CO -0.37 -0.31 -0.22 -0.44 0.00 0.00 0.00 179.25 177.91 3mqo h ASP 42 N 0.00 0.00 0.00 0.00 3.32 -1.51 -3.31 116.42 114.91 3mqo h ASP 42 Ca 0.10 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.96 3mqo h ASP 42 Cb 0.51 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 3mqo h ASP 42 CO -0.00 0.22 -2.14 0.18 -1.72 0.00 0.00 179.24 175.78 3mqo n LEU 43 N -3.28 0.00 -4.65 1.55 4.77 0.09 -4.74 117.00 110.74 3mqo n LEU 43 Ca 0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 3mqo n LEU 43 Cb 0.48 0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.80 3mqo n LEU 43 CO 0.34 0.26 1.54 -0.63 -1.33 0.00 0.00 177.39 177.57 3mqo s ILE 44 N -2.90 3.24 0.00 -0.08 -1.09 -0.87 -1.00 121.20 118.49 3mqo s ILE 44 Ca -0.09 0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.62 3mqo s ILE 44 Cb 0.09 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 3mqo s ILE 44 CO 0.82 -0.05 0.00 0.61 -1.23 0.00 0.00 174.94 175.09 3mqo n GLY 45 N 4.58 0.57 3.77 6.18 0.00 0.15 -5.03 105.19 115.42 3mqo n GLY 45 Ca 0.20 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 3mqo n GLY 45 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mqo s ARG 46 N -0.71 4.01 0.29 1.61 6.06 -0.17 -4.82 118.95 125.22 3mqo s ARG 46 Ca 0.00 -0.02 -0.30 0.00 -2.50 0.00 0.00 55.73 52.92 3mqo s ARG 46 Cb 0.00 -3.35 -0.11 0.00 0.06 0.00 0.00 34.95 31.55 3mqo s ARG 46 CO 0.00 0.43 1.52 0.45 -2.50 0.00 0.00 175.30 175.20 3mqo s SER 47 N -0.07 6.48 0.60 -2.12 0.15 -1.26 -0.55 113.70 116.94 3mqo s SER 47 Ca 0.14 2.86 0.28 0.00 0.70 0.00 0.00 55.95 59.93 3mqo s SER 47 Cb -0.13 -2.63 1.37 0.00 -1.71 0.00 0.00 66.02 62.92 3mqo s SER 47 CO 0.03 -0.82 1.77 -0.26 1.20 0.00 0.00 173.24 175.16 3mqo h PHE 48 N 4.66 0.00 -1.00 3.44 0.04 -1.13 -2.84 116.94 120.12 3mqo h PHE 48 Ca -0.47 0.00 0.23 0.00 2.80 0.00 0.00 57.97 60.53 3mqo h PHE 48 Cb 1.22 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.28 3mqo h PHE 48 CO 0.58 0.00 0.64 1.49 -0.60 0.00 0.00 178.31 180.42 3mqo h GLU 49 N 0.00 0.46 0.00 1.51 4.22 -1.90 -1.28 114.58 117.60 3mqo h GLU 49 Ca 0.24 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.65 3mqo h GLU 49 Cb 1.47 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.62 3mqo h GLU 49 CO -0.00 0.31 0.00 -0.39 -2.18 0.00 0.00 179.01 176.74 3mqo h VAL 50 N 0.48 0.00 0.00 0.32 -1.51 -1.90 -2.67 116.25 110.97 3mqo h VAL 50 Ca 0.56 -0.51 0.00 0.00 -1.23 0.00 0.00 66.70 65.53 3mqo h VAL 50 Cb 1.29 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.93 3mqo h VAL 50 CO -0.29 0.00 -0.63 0.18 -1.23 0.00 0.00 177.57 175.60 3mqo n LEU 51 N -3.01 0.68 -4.86 4.19 4.77 -0.49 -4.88 117.00 113.40 3mqo n LEU 51 Ca 0.01 0.21 -0.31 0.00 -0.03 0.00 0.00 56.01 55.89 3mqo n LEU 51 Cb 0.31 -0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 3mqo n LEU 51 CO 0.27 -0.04 0.72 -0.31 -1.33 0.00 0.00 177.39 176.70 3mqo s TYR 52 N -3.16 3.51 0.50 -1.77 2.02 -1.01 -0.00 117.35 117.45 3mqo s TYR 52 Ca 0.06 1.32 0.16 0.00 -0.37 0.00 0.00 57.07 58.25 3mqo s TYR 52 Cb 0.14 -2.76 1.23 0.00 -0.40 0.00 0.00 41.96 40.17 3mqo s TYR 52 CO 0.72 -0.80 2.11 -1.35 -1.57 0.00 0.00 175.55 174.66 3mqo h PRO 53 N -0.38 0.00 -2.82 -1.71 0.11 -1.87 -3.40 132.00 121.93 3mqo h PRO 53 Ca -0.44 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.74 3mqo h PRO 53 Cb 1.19 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.22 3mqo h PRO 53 CO 0.61 0.05 0.29 -1.54 -0.21 0.00 0.00 178.00 177.20 3mqo s SER 54 N -6.99 -0.33 0.28 -2.05 1.04 -1.26 -5.02 113.70 99.36 3mqo s SER 54 Ca -0.05 -0.36 -0.04 0.00 0.48 0.00 0.00 55.95 55.99 3mqo s SER 54 Cb 0.16 0.62 0.36 0.00 0.10 0.00 0.00 66.02 67.27 3mqo s SER 54 CO 0.67 -1.11 1.93 0.77 0.98 0.00 0.00 173.24 176.48 3mqo h SER 55 N 2.00 1.01 -0.88 7.02 4.64 -1.87 -1.22 113.55 124.24 3mqo h SER 55 Ca -0.24 -0.05 0.03 0.00 -0.47 0.00 0.00 61.79 61.06 3mqo h SER 55 Cb 1.26 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 63.05 3mqo h SER 55 CO 0.28 0.76 0.58 0.44 -0.87 0.00 0.00 176.83 178.02 3mqo h ASP 56 N 1.16 0.97 -0.11 4.97 3.32 -1.98 -0.68 116.42 124.06 3mqo h ASP 56 Ca 0.31 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.30 3mqo h ASP 56 Cb -0.07 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.25 3mqo h ASP 56 CO -0.06 0.67 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.70 3mqo h GLU 57 N 1.13 0.27 -0.56 3.56 4.39 -1.79 0.14 114.58 121.72 3mqo h GLU 57 Ca 0.34 -0.14 0.11 0.00 0.34 0.00 0.00 59.36 60.01 3mqo h GLU 57 Cb -0.02 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.52 3mqo h GLU 57 CO -0.10 0.67 -0.20 0.35 -1.16 0.00 0.00 179.01 178.57 3mqo h PHE 58 N -0.12 -0.50 0.03 4.33 3.57 -0.95 0.13 116.94 123.43 3mqo h PHE 58 Ca 0.02 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 3mqo h PHE 58 Cb 0.62 0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.67 3mqo h PHE 58 CO 0.08 -0.30 -0.01 0.93 -2.23 0.00 0.00 178.31 176.78 3mqo h GLU 59 N -0.07 -0.04 -0.27 1.11 4.39 -0.97 -1.40 114.58 117.33 3mqo h GLU 59 Ca 0.26 0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.01 3mqo h GLU 59 Cb 0.47 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.09 3mqo h GLU 59 CO -0.61 0.22 0.01 -0.09 -1.16 0.00 0.00 179.01 177.38 3mqo h ARG 60 N -0.30 0.09 -0.51 2.33 2.43 -0.35 -1.72 114.38 116.36 3mqo h ARG 60 Ca -0.00 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 3mqo h ARG 60 Cb 0.28 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3mqo h ARG 60 CO 0.01 0.06 -0.09 0.82 -1.51 0.00 0.00 179.97 179.26 3mqo h ILE 61 N 0.09 1.26 -0.80 1.20 1.08 -0.79 -2.34 117.51 117.22 3mqo h ILE 61 Ca 0.13 -1.20 0.13 0.00 -0.39 0.00 0.00 64.86 63.52 3mqo h ILE 61 Cb 0.16 0.97 -0.09 0.00 -3.07 0.00 0.00 36.82 34.79 3mqo h ILE 61 CO -0.20 0.42 0.39 1.23 -0.69 0.00 0.00 178.15 179.30 3mqo h GLY 62 N 0.97 1.25 2.00 5.37 0.00 -0.85 0.54 103.07 112.34 3mqo h GLY 62 Ca 0.14 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 3mqo h GLY 62 CO 0.04 -0.01 -0.38 0.83 0.00 0.00 0.00 176.54 177.03 3mqo h GLU 63 N 0.60 0.00 0.04 4.80 5.08 -0.99 -2.32 114.58 121.79 3mqo h GLU 63 Ca 0.42 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.52 3mqo h GLU 63 Cb 0.55 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.81 3mqo h GLU 63 CO -0.33 0.38 -1.06 0.00 -1.00 0.00 0.00 179.01 176.99 3mqo h ARG 64 N 0.00 0.51 -0.35 2.33 3.08 -0.79 -3.33 114.38 115.83 3mqo h ARG 64 Ca -0.00 -0.61 -0.02 0.00 0.07 0.00 0.00 59.98 59.42 3mqo h ARG 64 Cb 0.75 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 3mqo h ARG 64 CO 0.05 1.23 0.14 0.82 -1.07 0.00 0.00 179.97 181.14 3mqo h ILE 65 N 0.27 1.19 0.33 2.04 2.04 -0.75 -3.34 117.51 119.27 3mqo h ILE 65 Ca -0.12 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.16 3mqo h ILE 65 Cb 1.72 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 3mqo h ILE 65 CO 0.19 0.20 -0.40 0.28 0.00 0.00 0.00 178.15 178.43 3mqo h SER 66 N 0.42 -1.10 0.35 1.72 0.02 -1.53 -2.67 113.55 110.77 3mqo h SER 66 Ca 0.12 0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 61.10 3mqo h SER 66 Cb 0.19 0.38 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 3mqo h SER 66 CO -0.01 -0.53 -0.32 1.55 -1.14 0.00 0.00 176.83 176.38 3mqo h PRO 67 N -0.77 0.00 -0.77 3.45 0.13 -1.73 -1.02 132.00 131.30 3mqo h PRO 67 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3mqo h PRO 67 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3mqo h PRO 67 CO -0.11 0.32 0.00 0.28 -0.23 0.00 0.00 178.00 178.27 3mqo n VAL 68 N -4.10 0.12 0.00 1.56 0.31 -1.01 -1.64 118.33 113.57 3mqo n VAL 68 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3mqo n VAL 68 Cb 0.37 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 3mqo n VAL 68 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3mqo n ILE 70 N 0.29 0.00 -0.18 2.52 5.41 -0.39 -1.39 119.36 125.63 3mqo n ILE 70 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 3mqo n ILE 70 Cb 0.18 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 39.16 3mqo n ILE 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3mqo h ALA 71 N 0.00 0.84 0.00 -1.39 0.00 -1.56 -3.38 119.26 113.78 3mqo h ALA 71 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3mqo h ALA 71 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3mqo h ALA 71 CO 0.00 0.66 -0.81 0.72 0.00 0.00 0.00 179.25 179.82 3mqo n HIS 72 N -4.16 0.00 -0.96 0.00 8.25 -0.48 -5.01 115.22 112.85 3mqo n HIS 72 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3mqo n HIS 72 Cb 0.37 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.41 3mqo n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mqo n GLY 73 N 1.72 0.99 3.36 -1.41 0.00 -1.26 -4.99 105.19 103.61 3mqo n GLY 73 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3mqo n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mqo s SER 74 N -2.97 -0.02 -0.08 1.61 0.01 -1.26 -4.40 113.70 106.58 3mqo s SER 74 Ca 0.00 -0.75 -0.08 0.00 1.31 0.00 0.00 55.95 56.43 3mqo s SER 74 Cb 0.00 0.45 0.02 0.00 0.21 0.00 0.00 66.02 66.71 3mqo s SER 74 CO 0.00 -0.90 0.24 -0.47 0.41 0.00 0.00 173.24 172.51 3mqo s TYR 75 N -3.93 -0.24 -0.09 2.43 5.04 -0.55 -4.91 117.35 115.09 3mqo s TYR 75 Ca 0.14 0.59 -0.10 0.00 -2.44 0.00 0.00 57.07 55.26 3mqo s TYR 75 Cb 0.03 0.08 0.02 0.00 0.35 0.00 0.00 41.96 42.44 3mqo s TYR 75 CO -0.02 -0.14 0.26 0.00 -1.34 0.00 0.00 175.55 174.30 3mqo s ALA 76 N -0.01 -0.65 0.36 3.97 0.00 -1.26 -0.51 121.76 123.67 3mqo s ALA 76 Ca -0.01 0.66 -0.15 0.00 0.00 0.00 0.00 51.96 52.46 3mqo s ALA 76 Cb -0.02 -0.36 0.04 0.00 0.00 0.00 0.00 23.12 22.78 3mqo s ALA 76 CO 0.01 -0.14 0.73 0.16 0.00 0.00 0.00 175.76 176.52 3mqo s ASP 77 N -0.06 0.05 -0.06 0.00 1.47 -0.17 -5.01 116.67 112.89 3mqo s ASP 77 Ca -0.02 -1.08 0.02 0.00 1.18 0.00 0.00 52.55 52.65 3mqo s ASP 77 Cb -0.02 0.80 -0.03 0.00 -0.34 0.00 0.00 42.92 43.33 3mqo s ASP 77 CO 0.01 -1.57 -0.11 -1.81 0.68 0.00 0.00 175.17 172.37 3mqo s ASP 78 N -3.06 4.31 0.19 2.11 1.01 -1.26 -1.21 116.67 118.76 3mqo s ASP 78 Ca 0.17 -0.12 -0.13 0.00 0.71 0.00 0.00 52.55 53.18 3mqo s ASP 78 Cb -0.05 -1.00 0.01 0.00 1.01 0.00 0.00 42.92 42.89 3mqo s ASP 78 CO 0.12 0.35 0.42 0.00 0.21 0.00 0.00 175.17 176.27 3mqo s ARG 79 N -0.76 1.33 0.58 8.23 3.03 -0.55 -4.98 118.95 125.83 3mqo s ARG 79 Ca 0.12 -1.07 -0.08 0.00 2.03 0.00 0.00 55.73 56.72 3mqo s ARG 79 Cb -0.11 0.45 -0.02 0.00 -1.03 0.00 0.00 34.95 34.24 3mqo s ARG 79 CO 0.01 -0.53 0.93 0.42 -1.13 0.00 0.00 175.30 175.00 3mqo s ILE 80 N -3.94 4.47 -0.15 4.99 1.01 -1.26 -0.39 121.20 125.94 3mqo s ILE 80 Ca 0.15 0.45 -0.06 0.00 0.00 0.00 0.00 60.65 61.20 3mqo s ILE 80 Cb 0.01 -3.76 0.07 0.00 0.01 0.00 0.00 42.46 38.79 3mqo s ILE 80 CO 0.01 -0.88 0.31 -0.75 0.00 0.00 0.00 174.94 173.63 3mqo s LYS 82 N -5.02 0.22 0.65 2.79 2.20 0.99 -4.46 119.74 117.12 3mqo s LYS 82 Ca 0.52 0.79 -0.13 0.00 -0.36 0.00 0.00 55.97 56.80 3mqo s LYS 82 Cb -0.11 0.04 -0.01 0.00 -1.51 0.00 0.00 37.83 36.24 3mqo s LYS 82 CO 0.49 -0.25 1.05 1.03 -0.36 0.00 0.00 175.35 177.32 3mqo s ARG 83 N 2.22 3.12 0.22 4.03 0.52 0.71 -4.65 118.95 125.12 3mqo s ARG 83 Ca -0.02 1.04 -0.32 0.00 -0.52 0.00 0.00 55.73 55.91 3mqo s ARG 83 Cb -0.11 -2.01 -0.14 0.00 0.52 0.00 0.00 34.95 33.20 3mqo s ARG 83 CO -0.10 -0.95 1.31 0.00 0.02 0.00 0.00 175.30 175.58 3mqo n ALA 84 N -2.68 0.45 0.00 2.13 0.00 -0.20 -0.65 120.51 119.56 3mqo n ALA 84 Ca 0.08 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3mqo n ALA 84 Cb 0.53 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.80 3mqo n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mqo n GLY 85 N 2.05 1.52 0.00 0.00 0.00 -1.26 -4.53 105.19 102.97 3mqo n GLY 85 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3mqo n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mqo n GLY 86 N -2.00 0.30 3.70 -0.02 0.00 0.18 -5.06 105.19 102.29 3mqo n GLY 86 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3mqo n GLY 86 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mqo s GLU 87 N -0.91 4.20 0.02 1.61 2.12 -1.25 -4.67 118.70 119.82 3mqo s GLU 87 Ca 0.00 2.38 -0.18 0.00 0.36 0.00 0.00 54.97 57.53 3mqo s GLU 87 Cb 0.00 -3.38 -0.06 0.00 0.26 0.00 0.00 34.13 30.95 3mqo s GLU 87 CO 0.00 -0.69 0.51 -0.51 -0.54 0.00 0.00 175.26 174.03 3mqo s LEU 88 N 1.94 4.47 0.13 2.70 1.43 -1.26 -0.21 118.68 127.87 3mqo s LEU 88 Ca 0.73 1.10 -0.13 0.00 -1.03 0.00 0.00 54.13 54.80 3mqo s LEU 88 Cb -0.42 -2.77 0.02 0.00 0.03 0.00 0.00 46.19 43.04 3mqo s LEU 88 CO 0.32 0.24 0.34 0.72 0.23 0.00 0.00 176.35 178.20 3mqo s PHE 89 N -0.78 -0.00 0.08 0.29 -0.12 -1.26 -4.99 117.98 111.20 3mqo s PHE 89 Ca 0.27 -0.36 -0.21 0.00 -0.05 0.00 0.00 56.93 56.58 3mqo s PHE 89 Cb -0.18 0.14 -0.07 0.00 -0.63 0.00 0.00 43.02 42.29 3mqo s PHE 89 CO 0.16 -0.69 0.64 -1.58 -0.05 0.00 0.00 175.22 173.70 3mqo s TRP 90 N -3.85 3.80 -0.03 3.49 0.52 -1.26 -4.17 118.94 117.44 3mqo s TRP 90 Ca 0.07 1.36 -0.01 0.00 0.02 0.00 0.00 56.10 57.54 3mqo s TRP 90 Cb 0.03 -2.61 0.03 0.00 -1.15 0.00 0.00 33.47 29.77 3mqo s TRP 90 CO -0.09 0.50 0.04 0.00 0.02 0.00 0.00 176.95 177.42 3mqo s HIS 92 N 1.37 3.46 -0.03 0.00 2.46 -0.13 -1.48 115.29 120.94 3mqo s HIS 92 Ca -0.05 1.04 0.06 0.00 0.47 0.00 0.00 55.06 56.57 3mqo s HIS 92 Cb -0.13 -2.77 -0.01 0.00 -0.13 0.00 0.00 32.58 29.54 3mqo s HIS 92 CO -0.03 -0.04 -0.19 0.08 -2.47 0.00 0.00 174.74 172.09 3mqo s VAL 93 N 1.36 1.56 0.09 0.89 1.01 -0.35 -1.22 120.40 123.74 3mqo s VAL 93 Ca 0.32 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.52 3mqo s VAL 93 Cb -0.16 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 3mqo s VAL 93 CO 0.13 0.44 -0.13 0.42 0.00 0.00 0.00 175.10 175.96 3mqo s THR 94 N -0.29 1.13 -0.03 3.92 -4.23 -0.90 -1.00 115.64 114.24 3mqo s THR 94 Ca 0.03 -1.46 -0.11 0.00 -1.18 0.00 0.00 61.69 58.98 3mqo s THR 94 Cb -0.09 -1.22 0.02 0.00 1.34 0.00 0.00 72.50 72.54 3mqo s THR 94 CO 0.01 -0.33 0.24 -0.83 -0.54 0.00 0.00 174.62 173.16 3mqo s GLY 95 N -2.02 -0.09 -0.09 3.99 0.00 0.34 -0.66 107.32 108.78 3mqo s GLY 95 Ca 0.02 0.27 -0.01 0.00 0.00 0.00 0.00 44.72 45.00 3mqo s GLY 95 CO 0.02 0.11 -0.04 -1.60 0.00 0.00 0.00 173.10 171.59 3mqo s ARG 96 N -0.97 1.09 0.40 2.90 3.52 -0.25 -1.48 118.95 124.16 3mqo s ARG 96 Ca -0.10 -0.08 -0.24 0.00 -0.13 0.00 0.00 55.73 55.17 3mqo s ARG 96 Cb -0.05 -1.29 -0.09 0.00 -1.56 0.00 0.00 34.95 31.96 3mqo s ARG 96 CO 0.02 -0.28 1.10 0.00 -0.81 0.00 0.00 175.30 175.33 3mqo s ALA 97 N 1.82 3.10 0.39 6.12 0.00 -1.26 -1.53 121.76 130.40 3mqo s ALA 97 Ca 0.05 0.81 0.06 0.00 0.00 0.00 0.00 51.96 52.88 3mqo s ALA 97 Cb -0.12 -3.32 0.80 0.00 0.00 0.00 0.00 23.12 20.48 3mqo s ALA 97 CO -0.07 -0.36 2.02 1.25 0.00 0.00 0.00 175.76 178.61 3mqo h LEU 98 N 2.54 0.56 -7.46 0.00 5.85 -1.43 -3.38 115.31 111.98 3mqo h LEU 98 Ca -0.48 -0.01 -0.47 0.00 0.84 0.00 0.00 57.88 57.76 3mqo h LEU 98 Cb 1.22 -0.13 -0.38 0.00 0.37 0.00 0.00 40.66 41.74 3mqo h LEU 98 CO 0.62 0.39 -0.77 -0.62 -0.34 0.00 0.00 178.44 177.72 3mqo s ASP 99 N -6.51 1.96 0.56 1.25 -1.08 -1.26 -5.03 116.67 106.55 3mqo s ASP 99 Ca -0.09 -0.28 0.25 0.00 -0.52 0.00 0.00 52.55 51.91 3mqo s ASP 99 Cb 0.18 -0.53 1.60 0.00 -1.46 0.00 0.00 42.92 42.71 3mqo s ASP 99 CO 0.75 -0.21 2.20 0.08 0.52 0.00 0.00 175.17 178.51 3mqo h ARG 100 N 8.29 0.00 0.00 4.34 0.11 -1.92 0.20 114.38 125.40 3mqo h ARG 100 Ca -0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.88 3mqo h ARG 100 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 3mqo h ARG 100 CO 0.30 0.01 0.00 0.25 0.10 0.00 0.00 179.97 180.63 3mqo n THR 101 N -4.08 0.08 -3.30 0.08 -2.24 -1.26 -3.35 114.28 100.22 3mqo n THR 101 Ca -0.03 0.02 -0.26 0.00 -2.27 0.00 0.00 64.05 61.51 3mqo n THR 101 Cb 0.10 -0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 67.71 3mqo n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mqo n ALA 102 N -1.32 3.80 0.25 6.98 0.00 0.06 -4.99 120.51 125.29 3mqo n ALA 102 Ca 0.12 -4.47 0.10 0.00 0.00 0.00 0.00 53.44 49.19 3mqo n ALA 102 Cb 0.24 -0.86 0.64 0.00 0.00 0.00 0.00 19.45 19.47 3mqo n ALA 102 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3mqo h PRO 103 N 3.90 0.00 -0.30 0.00 0.13 -1.64 -1.80 132.00 132.29 3mqo h PRO 103 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3mqo h PRO 103 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3mqo h PRO 103 CO 0.76 0.16 0.00 1.28 -0.23 0.00 0.00 178.00 179.97 3mqo n LEU 104 N -3.78 3.27 0.00 1.56 4.77 -1.26 -4.60 117.00 116.96 3mqo n LEU 104 Ca -0.02 -2.41 0.00 0.00 -0.03 0.00 0.00 56.01 53.55 3mqo n LEU 104 Cb 0.27 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3mqo n LEU 104 CO 0.32 0.70 0.00 0.00 -1.33 0.00 0.00 177.39 177.08 3mqo n ALA 105 N 0.06 0.00 -1.61 -1.18 0.00 -0.68 -2.82 120.51 114.28 3mqo n ALA 105 Ca 0.15 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 53.12 3mqo n ALA 105 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 3mqo n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mqo n ALA 106 N -3.00 -0.09 -3.80 0.00 0.00 -1.26 -3.76 120.51 108.60 3mqo n ALA 106 Ca 0.00 0.44 -0.03 0.00 0.00 0.00 0.00 53.44 53.85 3mqo n ALA 106 Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.34 3mqo n ALA 106 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3mqo s GLY 107 N 0.07 -0.07 -0.15 0.00 0.00 -0.74 -1.13 107.32 105.30 3mqo s GLY 107 Ca 0.71 -0.09 -0.01 0.00 0.00 0.00 0.00 44.72 45.33 3mqo s GLY 107 CO 0.52 0.96 -0.11 0.54 0.00 0.00 0.00 173.10 175.00 3mqo s VAL 108 N -2.76 3.07 0.04 1.40 0.11 -0.58 -1.16 120.40 120.51 3mqo s VAL 108 Ca 0.16 -0.64 0.07 0.00 -2.93 0.00 0.00 61.98 58.64 3mqo s VAL 108 Cb -0.02 -2.32 -0.02 0.00 -1.53 0.00 0.00 36.38 32.49 3mqo s VAL 108 CO 0.04 0.50 -0.20 0.26 -3.33 0.00 0.00 175.10 172.37 3mqo s TRP 109 N 0.68 1.76 0.11 1.54 0.52 -0.41 -1.09 118.94 122.04 3mqo s TRP 109 Ca -0.06 -0.37 0.09 0.00 0.02 0.00 0.00 56.10 55.79 3mqo s TRP 109 Cb -0.15 -1.06 -0.04 0.00 -1.15 0.00 0.00 33.47 31.07 3mqo s TRP 109 CO 0.02 0.07 -0.24 0.95 0.02 0.00 0.00 176.95 177.77 3mqo s THR 110 N -0.76 1.99 -0.02 2.01 -4.23 0.16 -0.46 115.64 114.33 3mqo s THR 110 Ca 0.07 -1.60 0.01 0.00 -1.18 0.00 0.00 61.69 58.99 3mqo s THR 110 Cb -0.09 -1.77 0.01 0.00 1.34 0.00 0.00 72.50 72.00 3mqo s THR 110 CO 0.01 0.06 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.77 3mqo s PHE 111 N -1.06 0.40 -0.04 3.99 0.08 0.07 -2.12 117.98 119.30 3mqo s PHE 111 Ca 0.10 -0.06 -0.00 0.00 0.12 0.00 0.00 56.93 57.09 3mqo s PHE 111 Cb -0.10 -0.37 0.03 0.00 -0.57 0.00 0.00 43.02 42.01 3mqo s PHE 111 CO 0.05 -0.08 0.00 -2.00 -0.10 0.00 0.00 175.22 173.09 3mqo s GLU 112 N 0.51 0.38 0.10 0.44 2.12 -0.36 -0.51 118.70 121.38 3mqo s GLU 112 Ca -0.05 0.10 -0.31 0.00 0.36 0.00 0.00 54.97 55.07 3mqo s GLU 112 Cb -0.08 -0.63 -0.07 0.00 0.26 0.00 0.00 34.13 33.61 3mqo s GLU 112 CO -0.01 -0.19 1.31 0.34 -0.54 0.00 0.00 175.26 176.18 3mqo s ASP 113 N 1.34 6.93 -0.07 -1.70 -1.08 -1.26 -0.96 116.67 119.87 3mqo s ASP 113 Ca -0.05 2.21 0.19 0.00 -0.52 0.00 0.00 52.55 54.38 3mqo s ASP 113 Cb -0.13 -2.59 0.66 0.00 -1.46 0.00 0.00 42.92 39.40 3mqo s ASP 113 CO -0.02 -0.57 1.57 0.18 0.52 0.00 0.00 175.17 176.84 3mqo n LEU 114 N 3.84 4.35 -0.11 -1.34 4.77 -0.59 -4.58 117.00 123.34 3mqo n LEU 114 Ca 0.10 -2.29 -0.11 0.00 -0.03 0.00 0.00 56.01 53.68 3mqo n LEU 114 Cb 0.44 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 3mqo n LEU 114 CO 0.57 0.86 0.75 0.28 -1.33 0.00 0.00 177.39 178.52 3mqo h SER 115 N 3.91 0.59 -3.88 -1.43 0.02 -1.92 -3.44 113.55 107.40 3mqo h SER 115 Ca 0.00 -0.34 -0.52 0.00 -0.84 0.00 0.00 61.79 60.10 3mqo h SER 115 Cb 1.25 -0.16 0.06 0.00 0.14 0.00 0.00 62.40 63.69 3mqo h SER 115 CO 0.14 0.78 0.58 0.00 -1.14 0.00 0.00 176.83 177.20 3mqo s ALA 116 N -4.89 3.40 0.18 3.77 0.00 -1.26 -4.95 121.76 118.01 3mqo s ALA 116 Ca -0.13 1.14 -0.33 0.00 0.00 0.00 0.00 51.96 52.64 3mqo s ALA 116 Cb 0.09 -3.43 -0.14 0.00 0.00 0.00 0.00 23.12 19.63 3mqo s ALA 116 CO 0.78 -0.55 1.45 2.41 0.00 0.00 0.00 175.76 179.85 3mqo n THR 117 N 0.70 0.44 -2.29 0.00 -1.04 -1.26 -4.90 114.28 105.93 3mqo n THR 117 Ca 0.01 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.05 61.48 3mqo n THR 117 Cb 0.43 -1.37 -0.03 0.00 -1.82 0.00 0.00 70.33 67.54 3mqo n THR 117 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3mqo s ARG 118 N 0.24 4.29 -0.04 -2.82 0.52 -1.26 -4.99 118.95 114.89 3mqo s ARG 118 Ca 0.75 1.87 -0.30 0.00 -0.52 0.00 0.00 55.73 57.53 3mqo s ARG 118 Cb -0.71 -3.61 -0.03 0.00 0.52 0.00 0.00 34.95 31.12 3mqo s ARG 118 CO 0.45 -0.57 1.04 -0.98 0.02 0.00 0.00 175.30 175.26 3mqo s ARG 119 N 2.54 4.47 -0.32 3.54 1.04 -1.26 -5.03 118.95 123.93 3mqo s ARG 119 Ca 0.61 1.48 -0.08 0.00 -1.04 0.00 0.00 55.73 56.70 3mqo s ARG 119 Cb -0.29 -3.49 0.01 0.00 -2.04 0.00 0.00 34.95 29.15 3mqo s ARG 119 CO 0.24 -0.22 0.11 0.08 -0.04 0.00 0.00 175.30 175.48 3mqo s VAL 120 N 1.53 4.10 -1.44 4.99 1.01 -1.26 -5.31 120.40 124.00 3mqo s VAL 120 Ca 0.52 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3mqo s VAL 120 Cb -0.21 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.00 3mqo s VAL 120 CO 0.24 -0.01 0.36 0.00 0.00 0.00 0.00 175.10 175.69