#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dqg h ALA 3 N 0.00 1.57 -0.43 -1.67 0.00 -2.04 0.18 119.26 116.87 1dqg h ALA 3 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1dqg h ALA 3 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1dqg h ALA 3 CO 0.00 -0.34 -0.07 -0.09 0.00 0.00 0.00 179.25 178.76 1dqg h ARG 4 N 0.00 0.73 -6.67 0.00 2.43 -1.96 -3.44 114.38 105.48 1dqg h ARG 4 Ca 0.06 -0.22 -0.50 0.00 -0.81 0.00 0.00 59.98 58.51 1dqg h ARG 4 Cb 0.60 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1dqg h ARG 4 CO -0.00 0.79 0.26 -0.65 -1.51 0.00 0.00 179.97 178.86 1dqg s GLN 5 N -4.86 4.65 0.17 0.20 -0.21 0.62 -4.57 119.66 115.66 1dqg s GLN 5 Ca -0.09 1.28 -0.11 0.00 0.02 0.00 0.00 55.36 56.47 1dqg s GLN 5 Cb 0.14 -3.16 -0.00 0.00 1.00 0.00 0.00 33.01 31.00 1dqg s GLN 5 CO 0.81 0.49 0.34 -0.59 -2.12 0.00 0.00 175.29 174.22 1dqg s PHE 6 N -1.27 0.29 0.03 0.91 -0.12 0.35 -4.93 117.98 113.24 1dqg s PHE 6 Ca 0.41 -0.65 -0.00 0.00 -0.05 0.00 0.00 56.93 56.63 1dqg s PHE 6 Cb -0.23 0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.17 1dqg s PHE 6 CO 0.27 -0.77 0.15 -0.51 -0.05 0.00 0.00 175.22 174.32 1dqg s LEU 7 N -2.95 4.16 -0.36 -1.99 1.02 -1.26 -0.63 118.68 116.68 1dqg s LEU 7 Ca 0.16 0.21 -0.11 0.00 0.02 0.00 0.00 54.13 54.41 1dqg s LEU 7 Cb 0.02 -2.64 0.01 0.00 0.02 0.00 0.00 46.19 43.61 1dqg s LEU 7 CO -0.00 0.22 0.21 -0.63 0.02 0.00 0.00 176.35 176.16 1dqg s ILE 8 N -1.37 4.72 -0.10 -0.59 1.01 -1.26 -1.15 121.20 122.46 1dqg s ILE 8 Ca 0.29 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.29 1dqg s ILE 8 Cb -0.13 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 1dqg s ILE 8 CO 0.22 -0.15 -0.14 -0.47 0.00 0.00 0.00 174.94 174.40 1dqg s TYR 9 N 1.60 2.76 -0.31 3.97 5.04 0.03 -0.99 117.35 129.43 1dqg s TYR 9 Ca 0.03 -0.48 -0.08 0.00 -2.44 0.00 0.00 57.07 54.11 1dqg s TYR 9 Cb -0.18 -1.76 0.01 0.00 0.35 0.00 0.00 41.96 40.38 1dqg s TYR 9 CO 0.07 -0.07 0.12 1.21 -1.34 0.00 0.00 175.55 175.54 1dqg s ASN 10 N -0.06 5.32 0.12 4.32 3.84 -0.31 -0.03 114.94 128.14 1dqg s ASN 10 Ca -0.03 -0.73 -0.19 0.00 0.21 0.00 0.00 52.86 52.13 1dqg s ASN 10 Cb -0.14 -1.93 -0.05 0.00 -0.55 0.00 0.00 41.25 38.58 1dqg s ASN 10 CO 0.04 -0.23 1.71 -0.08 -2.79 0.00 0.00 177.10 175.75 1dqg h GLU 11 N 8.29 0.37 -0.63 0.43 4.81 -1.87 0.52 114.58 126.50 1dqg h GLU 11 Ca -0.30 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.91 1dqg h GLU 11 Cb 1.13 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 1dqg h GLU 11 CO 0.61 0.33 0.40 0.22 -0.73 0.00 0.00 179.01 179.84 1dqg h ASP 12 N 0.31 0.65 1.17 1.04 3.58 -1.92 -2.44 116.42 118.80 1dqg h ASP 12 Ca 0.09 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1dqg h ASP 12 Cb 0.07 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 40.98 1dqg h ASP 12 CO -0.01 0.46 -0.36 0.45 -2.88 0.00 0.00 179.24 176.89 1dqg h HIS 13 N 0.78 0.00 -6.08 0.28 3.86 -1.91 -3.48 115.15 108.61 1dqg h HIS 13 Ca 0.25 0.00 -0.42 0.00 -1.16 0.00 0.00 60.37 59.04 1dqg h HIS 13 Cb -0.00 0.00 0.05 0.00 1.06 0.00 0.00 27.41 28.52 1dqg h HIS 13 CO -0.05 0.00 -0.81 1.63 0.86 0.00 0.00 177.93 179.57 1dqg n LYS 14 N -2.25 -5.27 -4.14 2.45 5.02 0.17 -5.00 118.16 109.14 1dqg n LYS 14 Ca 0.04 0.64 -0.09 0.00 -2.02 0.00 0.00 58.31 56.88 1dqg n LYS 14 Cb 0.45 -5.31 -0.10 0.00 -0.02 0.00 0.00 35.03 30.04 1dqg n LYS 14 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1dqg s ARG 15 N -6.05 0.79 0.14 1.97 0.52 -1.17 -4.63 118.95 110.51 1dqg s ARG 15 Ca 0.13 -1.33 0.10 0.00 -0.52 0.00 0.00 55.73 54.11 1dqg s ARG 15 Cb -0.07 0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.47 1dqg s ARG 15 CO 0.81 -0.14 -0.24 0.00 0.02 0.00 0.00 175.30 175.75 1dqg s VAL 17 N -1.30 2.32 -0.12 0.00 1.01 -0.16 -0.64 120.40 121.51 1dqg s VAL 17 Ca 0.13 0.30 -0.04 0.00 0.00 0.00 0.00 61.98 62.38 1dqg s VAL 17 Cb -0.09 -3.19 0.05 0.00 0.00 0.00 0.00 36.38 33.15 1dqg s VAL 17 CO 0.06 0.06 0.07 -0.62 0.00 0.00 0.00 175.10 174.68 1dqg s ASP 18 N -0.41 1.87 -0.24 3.32 2.15 0.20 -4.42 116.67 119.15 1dqg s ASP 18 Ca 0.54 -0.33 -0.29 0.00 0.43 0.00 0.00 52.55 52.90 1dqg s ASP 18 Cb -0.43 -0.22 -0.01 0.00 -0.30 0.00 0.00 42.92 41.97 1dqg s ASP 18 CO 0.57 -0.31 1.27 0.00 -0.17 0.00 0.00 175.17 176.54 1dqg s ALA 19 N 2.14 3.51 -0.21 3.66 0.00 -0.60 -0.65 121.76 129.62 1dqg s ALA 19 Ca 0.03 0.27 0.12 0.00 0.00 0.00 0.00 51.96 52.38 1dqg s ALA 19 Cb -0.14 -3.70 -0.21 0.00 0.00 0.00 0.00 23.12 19.07 1dqg s ALA 19 CO -0.07 -1.47 -0.03 1.28 0.00 0.00 0.00 175.76 175.47 1dqg n LEU 20 N 7.12 1.03 -3.84 0.00 4.77 0.15 -4.80 117.00 121.43 1dqg n LEU 20 Ca 0.14 -0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 56.02 1dqg n LEU 20 Cb 0.46 0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.57 1dqg n LEU 20 CO 0.59 0.63 0.69 -0.94 -1.33 0.00 0.00 177.39 177.03 1dqg s SER 21 N -5.71 -0.03 0.54 -1.43 1.04 -0.79 -4.96 113.70 102.35 1dqg s SER 21 Ca -0.18 -0.79 0.22 0.00 0.48 0.00 0.00 55.95 55.68 1dqg s SER 21 Cb 0.07 0.63 1.39 0.00 0.10 0.00 0.00 66.02 68.20 1dqg s SER 21 CO 0.71 -1.23 2.09 0.00 0.98 0.00 0.00 173.24 175.79 1dqg h ALA 22 N 2.00 2.15 -0.42 5.32 0.00 -1.98 -2.54 119.26 123.79 1dqg h ALA 22 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1dqg h ALA 22 Cb 1.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1dqg h ALA 22 CO 0.35 -0.29 0.00 0.44 0.00 0.00 0.00 179.25 179.75 1dqg n ILE 23 N -4.36 1.80 -3.42 0.00 -5.35 -1.26 -1.40 119.36 105.37 1dqg n ILE 23 Ca 0.02 -1.39 -0.07 0.00 -0.27 0.00 0.00 62.75 61.05 1dqg n ILE 23 Cb 0.32 0.08 -0.07 0.00 -1.74 0.00 0.00 39.64 38.23 1dqg n ILE 23 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1dqg s SER 24 N -1.29 -0.18 -0.20 7.28 0.15 -0.96 -4.96 113.70 113.55 1dqg s SER 24 Ca 0.40 0.59 -0.00 0.00 0.70 0.00 0.00 55.95 57.64 1dqg s SER 24 Cb 0.28 1.38 0.05 0.00 -1.71 0.00 0.00 66.02 66.01 1dqg s SER 24 CO 0.16 -0.27 -0.05 -0.69 1.20 0.00 0.00 173.24 173.59 1dqg s VAL 25 N 2.62 1.30 0.00 4.45 1.01 -1.26 -0.67 120.40 127.84 1dqg s VAL 25 Ca 0.09 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1dqg s VAL 25 Cb -0.14 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1dqg s VAL 25 CO -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 175.10 174.94 1dqg n GLN 26 N 4.78 3.42 -4.33 2.72 6.02 0.18 -0.98 117.38 129.18 1dqg n GLN 26 Ca -0.12 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.70 1dqg n GLN 26 Cb 0.46 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.62 1dqg n GLN 26 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1dqg s THR 27 N 1.86 0.89 0.21 5.09 -4.23 -1.26 -0.63 115.64 117.58 1dqg s THR 27 Ca 0.00 -2.01 -0.19 0.00 -1.18 0.00 0.00 61.69 58.31 1dqg s THR 27 Cb 0.00 -2.44 0.03 0.00 1.34 0.00 0.00 72.50 71.43 1dqg s THR 27 CO 0.00 -0.23 0.58 0.00 -0.54 0.00 0.00 174.62 174.43 1dqg s ALA 28 N -3.52 -1.08 0.17 3.99 0.00 0.19 -4.74 121.76 116.77 1dqg s ALA 28 Ca 0.31 -0.16 -0.33 0.00 0.00 0.00 0.00 51.96 51.79 1dqg s ALA 28 Cb 0.07 0.87 -0.13 0.00 0.00 0.00 0.00 23.12 23.93 1dqg s ALA 28 CO 0.10 -0.86 1.68 2.41 0.00 0.00 0.00 175.76 179.10 1dqg n THR 29 N -0.38 0.05 -1.78 0.00 -1.04 -1.26 -0.74 114.28 109.14 1dqg n THR 29 Ca -0.09 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.49 1dqg n THR 29 Cb 0.62 -1.82 -0.03 0.00 -1.82 0.00 0.00 70.33 67.29 1dqg n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dqg s ASN 31 N 1.00 2.61 0.00 0.00 3.84 -1.26 -5.01 114.94 116.12 1dqg s ASN 31 Ca 0.71 -0.77 0.10 0.00 0.21 0.00 0.00 52.86 53.12 1dqg s ASN 31 Cb -0.48 -0.26 0.48 0.00 -0.55 0.00 0.00 41.25 40.44 1dqg s ASN 31 CO 0.36 -0.37 1.29 -0.81 -2.79 0.00 0.00 177.10 174.78 1dqg n PRO 32 N 5.27 0.06 0.03 0.43 -0.04 -1.26 -1.43 135.00 138.06 1dqg n PRO 32 Ca -0.07 0.27 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 1dqg n PRO 32 Cb 0.47 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.66 1dqg n PRO 32 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1dqg n GLU 33 N -1.41 0.13 -2.87 0.54 1.02 -1.26 -4.86 120.64 111.93 1dqg n GLU 33 Ca 0.03 0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.78 1dqg n GLU 33 Cb 0.11 -1.58 -0.04 0.00 -0.02 0.00 0.00 31.44 29.90 1dqg n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dqg s ALA 34 N -3.08 3.41 0.44 0.62 0.00 -0.51 -4.92 121.76 117.73 1dqg s ALA 34 Ca 0.09 -0.54 0.10 0.00 0.00 0.00 0.00 51.96 51.60 1dqg s ALA 34 Cb 0.16 -3.46 0.97 0.00 0.00 0.00 0.00 23.12 20.78 1dqg s ALA 34 CO 0.71 -1.56 2.07 0.93 0.00 0.00 0.00 175.76 177.91 1dqg h GLU 35 N 8.49 0.36 0.00 0.00 4.39 -1.89 -1.47 114.58 124.46 1dqg h GLU 35 Ca -0.24 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.42 1dqg h GLU 35 Cb 1.08 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1dqg h GLU 35 CO 0.95 0.26 -0.05 0.66 -1.16 0.00 0.00 179.01 179.67 1dqg h SER 36 N 0.37 0.00 -0.02 1.42 4.64 -1.91 -1.30 113.55 116.74 1dqg h SER 36 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1dqg h SER 36 Cb -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1dqg h SER 36 CO -0.02 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 1dqg n GLN 37 N -3.50 1.79 -3.60 4.77 6.02 -0.55 -1.55 117.38 120.76 1dqg n GLN 37 Ca -0.02 -1.15 -0.37 0.00 -0.01 0.00 0.00 57.00 55.45 1dqg n GLN 37 Cb 0.17 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 29.89 1dqg n GLN 37 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1dqg s LYS 38 N -1.99 4.03 0.23 -1.09 1.02 -0.49 -4.30 119.74 117.15 1dqg s LYS 38 Ca 0.36 0.10 0.05 0.00 0.02 0.00 0.00 55.97 56.51 1dqg s LYS 38 Cb 0.21 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 34.13 1dqg s LYS 38 CO 0.33 0.43 -0.05 -0.06 -0.92 0.00 0.00 175.35 175.08 1dqg s PHE 39 N -0.13 1.66 -0.14 3.18 0.40 0.20 -0.66 117.98 122.51 1dqg s PHE 39 Ca 0.17 -0.78 -0.19 0.00 -0.60 0.00 0.00 56.93 55.53 1dqg s PHE 39 Cb -0.13 -0.92 0.05 0.00 0.51 0.00 0.00 43.02 42.52 1dqg s PHE 39 CO 0.06 0.13 0.49 -0.98 0.70 0.00 0.00 175.22 175.62 1dqg s ARG 40 N -3.78 0.68 0.16 0.44 1.70 -0.23 -0.50 118.95 117.42 1dqg s ARG 40 Ca 0.26 0.46 -0.30 0.00 -0.47 0.00 0.00 55.73 55.68 1dqg s ARG 40 Cb 0.04 0.32 -0.08 0.00 -0.57 0.00 0.00 34.95 34.66 1dqg s ARG 40 CO 0.08 -0.13 1.28 -1.58 -1.08 0.00 0.00 175.30 173.87 1dqg s TRP 41 N -0.26 3.32 -0.50 5.89 0.52 -1.26 -0.13 118.94 126.52 1dqg s TRP 41 Ca -0.04 1.23 0.05 0.00 0.02 0.00 0.00 56.10 57.35 1dqg s TRP 41 Cb -0.03 -3.55 0.08 0.00 -1.15 0.00 0.00 33.47 28.82 1dqg s TRP 41 CO 0.03 -1.73 0.85 1.33 0.02 0.00 0.00 176.95 177.45 1dqg n VAL 42 N 3.07 0.45 -3.72 4.03 0.24 -0.60 -4.91 118.33 116.89 1dqg n VAL 42 Ca 0.07 -0.72 -0.03 0.00 -2.04 0.00 0.00 64.34 61.62 1dqg n VAL 42 Cb 0.44 0.83 0.02 0.00 -1.47 0.00 0.00 33.84 33.65 1dqg n VAL 42 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1dqg n SER 43 N 0.12 -1.23 0.20 -1.34 3.41 -1.25 -4.95 113.62 108.59 1dqg n SER 43 Ca 0.04 -1.67 0.15 0.00 -0.26 0.00 0.00 58.87 57.12 1dqg n SER 43 Cb 0.21 2.00 0.67 0.00 -0.26 0.00 0.00 64.21 66.84 1dqg n SER 43 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1dqg h ASP 44 N 1.34 0.00 0.00 4.04 -0.00 -1.96 -3.32 116.42 116.52 1dqg h ASP 44 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.84 1dqg h ASP 44 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.15 1dqg h ASP 44 CO 0.25 0.00 0.00 -1.54 -0.00 0.00 0.00 179.24 177.95 1dqg n SER 45 N -2.57 0.06 -4.48 4.15 3.41 -1.26 -4.80 113.62 108.14 1dqg n SER 45 Ca 0.00 -0.35 -0.33 0.00 -0.26 0.00 0.00 58.87 57.93 1dqg n SER 45 Cb 0.17 0.47 -0.13 0.00 -0.26 0.00 0.00 64.21 64.46 1dqg n SER 45 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1dqg s GLN 46 N -0.47 2.63 -0.16 4.33 -0.21 -1.25 -0.39 119.66 124.14 1dqg s GLN 46 Ca 0.00 -0.67 0.01 0.00 0.02 0.00 0.00 55.36 54.71 1dqg s GLN 46 Cb 0.00 -2.43 0.01 0.00 1.00 0.00 0.00 33.01 31.58 1dqg s GLN 46 CO 0.00 0.58 -0.18 0.42 -2.12 0.00 0.00 175.29 173.99 1dqg s ILE 47 N -0.62 2.33 -0.14 1.08 1.01 -1.26 -1.55 121.20 122.04 1dqg s ILE 47 Ca 0.09 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.80 1dqg s ILE 47 Cb -0.11 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 1dqg s ILE 47 CO 0.01 0.53 0.11 -0.32 0.00 0.00 0.00 174.94 175.27 1dqg s MET 48 N 1.02 3.64 0.02 2.79 -2.45 0.82 -0.71 119.30 124.42 1dqg s MET 48 Ca -0.02 -0.21 -0.30 0.00 -1.25 0.00 0.00 55.69 53.91 1dqg s MET 48 Cb -0.15 -3.20 -0.06 0.00 1.25 0.00 0.00 34.83 32.67 1dqg s MET 48 CO -0.05 0.59 1.51 0.45 1.05 0.00 0.00 175.02 178.57 1dqg s SER 49 N -0.50 6.75 0.16 1.11 0.15 0.77 -1.07 113.70 121.07 1dqg s SER 49 Ca 0.12 2.24 -0.12 0.00 0.70 0.00 0.00 55.95 58.89 1dqg s SER 49 Cb -0.12 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 61.67 1dqg s SER 49 CO 0.02 -0.80 1.64 0.58 1.20 0.00 0.00 173.24 175.88 1dqg h VAL 50 N 4.95 1.26 -0.11 4.45 2.07 -1.14 0.38 116.25 128.11 1dqg h VAL 50 Ca -0.39 -0.99 -0.09 0.00 0.82 0.00 0.00 66.70 66.04 1dqg h VAL 50 Cb 1.18 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1dqg h VAL 50 CO 0.92 0.36 -0.35 0.00 0.02 0.00 0.00 177.57 178.52 1dqg h ALA 51 N 0.98 1.22 0.00 1.67 0.00 -1.75 -3.31 119.26 118.07 1dqg h ALA 51 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1dqg h ALA 51 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1dqg h ALA 51 CO 0.01 0.53 -1.32 1.19 0.00 0.00 0.00 179.25 179.66 1dqg n PHE 52 N -4.08 0.00 -3.83 0.00 3.01 -1.18 -4.99 117.46 106.39 1dqg n PHE 52 Ca -0.01 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.17 1dqg n PHE 52 Cb 0.43 -0.22 0.04 0.00 -0.01 0.00 0.00 39.48 39.72 1dqg n PHE 52 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1dqg n LYS 53 N -1.77 -5.79 -4.21 -1.08 5.02 0.12 -4.99 118.16 105.46 1dqg n LYS 53 Ca -0.01 0.64 -0.17 0.00 -2.02 0.00 0.00 58.31 56.75 1dqg n LYS 53 Cb 0.33 -5.50 -0.11 0.00 -0.02 0.00 0.00 35.03 29.73 1dqg n LYS 53 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1dqg s LEU 54 N -7.18 2.39 -0.05 -0.35 1.43 -1.25 -4.73 118.68 108.94 1dqg s LEU 54 Ca 0.54 -0.79 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1dqg s LEU 54 Cb -0.26 -0.45 -0.04 0.00 0.03 0.00 0.00 46.19 45.47 1dqg s LEU 54 CO 0.81 -0.18 0.10 0.00 0.23 0.00 0.00 176.35 177.31 1dqg s LEU 56 N -1.42 4.38 0.26 0.00 1.43 0.11 -0.92 118.68 122.52 1dqg s LEU 56 Ca 0.20 2.66 -0.20 0.00 -1.03 0.00 0.00 54.13 55.76 1dqg s LEU 56 Cb -0.12 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.55 1dqg s LEU 56 CO 0.10 -0.75 0.93 -0.83 0.23 0.00 0.00 176.35 176.03 1dqg s GLY 57 N 0.64 0.20 0.11 -3.19 0.00 -0.27 -4.49 107.32 100.30 1dqg s GLY 57 Ca 0.63 -0.48 0.03 0.00 0.00 0.00 0.00 44.72 44.90 1dqg s GLY 57 CO 0.39 1.22 -0.08 -1.34 0.00 0.00 0.00 173.10 173.29 1dqg s VAL 58 N -2.30 0.84 0.08 1.40 -7.23 -0.33 -1.30 120.40 111.57 1dqg s VAL 58 Ca 0.19 -1.85 0.26 0.00 -1.81 0.00 0.00 61.98 58.77 1dqg s VAL 58 Cb -0.04 -1.58 0.28 0.00 0.56 0.00 0.00 36.38 35.60 1dqg s VAL 58 CO 0.08 -0.75 1.85 1.55 -0.31 0.00 0.00 175.10 177.52 1dqg h PRO 59 N 3.14 0.00 -2.04 4.82 0.13 -1.88 -3.46 132.00 132.71 1dqg h PRO 59 Ca -0.36 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.92 1dqg h PRO 59 Cb 1.18 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 1dqg h PRO 59 CO 0.60 0.15 0.59 -1.54 -0.23 0.00 0.00 178.00 177.58 1dqg s SER 60 N -6.06 -0.30 -1.29 1.44 1.04 -1.26 -5.06 113.70 102.21 1dqg s SER 60 Ca 0.01 0.00 -0.13 0.00 0.48 0.00 0.00 55.95 56.32 1dqg s SER 60 Cb 0.09 0.31 0.13 0.00 0.10 0.00 0.00 66.02 66.66 1dqg s SER 60 CO 0.61 -0.51 1.78 0.29 0.98 0.00 0.00 173.24 176.40 1dqg n LYS 61 N -0.19 3.34 -4.10 4.02 5.02 -1.26 -4.82 118.16 120.16 1dqg n LYS 61 Ca -0.06 -3.42 -0.14 0.00 -2.02 0.00 0.00 58.31 52.67 1dqg n LYS 61 Cb 0.61 -3.12 -0.12 0.00 -0.02 0.00 0.00 35.03 32.38 1dqg n LYS 61 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1dqg s THR 62 N 1.87 0.60 0.16 -0.18 -4.23 -1.26 -5.10 115.64 107.49 1dqg s THR 62 Ca 0.44 -0.95 -0.34 0.00 -1.18 0.00 0.00 61.69 59.66 1dqg s THR 62 Cb 0.06 -0.62 -0.15 0.00 1.34 0.00 0.00 72.50 73.13 1dqg s THR 62 CO -0.00 -0.27 1.44 -0.67 -0.54 0.00 0.00 174.62 174.58 1dqg n ASP 63 N 1.72 2.47 -0.63 3.99 2.03 -1.26 -1.59 116.55 123.27 1dqg n ASP 63 Ca -0.21 1.11 -0.08 0.00 0.52 0.00 0.00 54.79 56.13 1dqg n ASP 63 Cb 0.55 -1.34 -0.04 0.00 -0.72 0.00 0.00 41.12 39.57 1dqg n ASP 63 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1dqg n TRP 64 N 2.65 0.00 -2.12 -0.67 -0.00 0.45 -5.00 117.44 112.75 1dqg n TRP 64 Ca 0.16 0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 57.25 1dqg n TRP 64 Cb 0.26 -1.72 -0.02 0.00 -0.00 0.00 0.00 31.31 29.83 1dqg n TRP 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1dqg s ALA 65 N -2.25 3.50 0.17 5.87 0.00 -0.62 -4.77 121.76 123.65 1dqg s ALA 65 Ca 0.00 1.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.91 1dqg s ALA 65 Cb 0.00 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.57 1dqg s ALA 65 CO 0.00 -0.63 1.02 -1.12 0.00 0.00 0.00 175.76 175.03 1dqg s SER 66 N -0.42 7.42 -0.35 0.00 0.01 -1.26 -0.78 113.70 118.31 1dqg s SER 66 Ca 0.50 1.96 -0.20 0.00 1.31 0.00 0.00 55.95 59.52 1dqg s SER 66 Cb -0.40 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.24 1dqg s SER 66 CO 0.52 -0.10 0.63 -0.69 0.41 0.00 0.00 173.24 174.00 1dqg s VAL 67 N -0.34 4.90 0.00 3.43 1.01 -0.42 -4.38 120.40 124.60 1dqg s VAL 67 Ca 0.47 0.59 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1dqg s VAL 67 Cb -0.27 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1dqg s VAL 67 CO 0.33 -0.29 0.00 0.35 0.00 0.00 0.00 175.10 175.49 1dqg n THR 68 N 5.56 0.00 -5.02 3.92 -2.24 -0.42 -4.25 114.28 111.82 1dqg n THR 68 Ca -0.01 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.48 1dqg n THR 68 Cb 0.49 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.55 1dqg n THR 68 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1dqg s LEU 69 N 0.00 1.97 0.09 3.22 1.43 -0.49 -1.12 118.68 123.78 1dqg s LEU 69 Ca 0.00 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.71 1dqg s LEU 69 Cb 0.00 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 1dqg s LEU 69 CO 0.00 0.18 -0.12 -0.31 0.23 0.00 0.00 176.35 176.33 1dqg s TYR 70 N 0.04 1.14 0.08 0.29 1.51 -0.09 -4.74 117.35 115.58 1dqg s TYR 70 Ca -0.06 -0.57 -0.36 0.00 -1.01 0.00 0.00 57.07 55.07 1dqg s TYR 70 Cb -0.13 -0.63 -0.16 0.00 -0.11 0.00 0.00 41.96 40.93 1dqg s TYR 70 CO 0.04 0.04 1.40 0.00 -1.11 0.00 0.00 175.55 175.92 1dqg n ALA 71 N 0.84 -0.57 -1.91 3.71 0.00 -1.26 -0.38 120.51 120.93 1dqg n ALA 71 Ca -0.18 0.50 -0.42 0.00 0.00 0.00 0.00 53.44 53.34 1dqg n ALA 71 Cb 0.56 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.85 1dqg n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dqg s ASP 73 N 1.68 1.28 0.13 0.00 3.68 -1.26 -5.02 116.67 117.17 1dqg s ASP 73 Ca 0.72 -0.20 0.14 0.00 2.13 0.00 0.00 52.55 55.35 1dqg s ASP 73 Cb -0.43 0.45 0.66 0.00 -1.45 0.00 0.00 42.92 42.15 1dqg s ASP 73 CO 0.32 -0.33 1.44 -1.54 0.13 0.00 0.00 175.17 175.19 1dqg n SER 74 N 5.32 0.28 -0.47 -0.34 3.41 -1.26 -1.35 113.62 119.22 1dqg n SER 74 Ca -0.05 0.60 0.11 0.00 -0.26 0.00 0.00 58.87 59.27 1dqg n SER 74 Cb 0.49 -0.65 0.04 0.00 -0.26 0.00 0.00 64.21 63.84 1dqg n SER 74 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1dqg n LYS 75 N -1.84 1.18 -2.72 4.33 5.02 -1.26 -4.90 118.16 117.97 1dqg n LYS 75 Ca 0.01 -0.95 -0.42 0.00 -2.02 0.00 0.00 58.31 54.93 1dqg n LYS 75 Cb 0.11 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 1dqg n LYS 75 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1dqg s SER 76 N -2.48 7.25 0.00 4.39 0.15 -0.45 -4.90 113.70 117.66 1dqg s SER 76 Ca 0.19 1.53 0.29 0.00 0.70 0.00 0.00 55.95 58.66 1dqg s SER 76 Cb 0.18 -2.55 1.51 0.00 -1.71 0.00 0.00 66.02 63.45 1dqg s SER 76 CO 0.56 -0.39 2.00 -0.62 1.20 0.00 0.00 173.24 175.99 1dqg n GLU 77 N 4.73 1.25 -0.42 5.44 -0.58 -1.26 -3.76 120.64 126.04 1dqg n GLU 77 Ca 0.08 -0.37 0.11 0.00 -0.42 0.00 0.00 57.16 56.56 1dqg n GLU 77 Cb 0.49 -1.47 0.33 0.00 -0.57 0.00 0.00 31.44 30.22 1dqg n GLU 77 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1dqg n TYR 78 N -0.53 1.08 -2.10 -0.32 4.02 -1.26 -4.10 117.16 113.94 1dqg n TYR 78 Ca 0.21 -0.52 0.04 0.00 -0.01 0.00 0.00 57.90 57.62 1dqg n TYR 78 Cb 0.20 -0.05 0.06 0.00 -0.02 0.00 0.00 39.34 39.52 1dqg n TYR 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1dqg n GLN 79 N 1.51 0.37 -3.92 -0.72 10.64 -1.25 -1.19 117.38 122.83 1dqg n GLN 79 Ca 0.25 -2.00 -0.36 0.00 -1.83 0.00 0.00 57.00 53.06 1dqg n GLN 79 Cb 0.68 -0.52 -0.12 0.00 -0.86 0.00 0.00 30.24 29.42 1dqg n GLN 79 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1dqg s LYS 80 N -0.77 3.75 0.27 2.61 1.02 -1.26 -4.30 119.74 121.06 1dqg s LYS 80 Ca 0.26 -0.45 0.11 0.00 0.02 0.00 0.00 55.97 55.91 1dqg s LYS 80 Cb 0.28 -3.24 -0.05 0.00 -0.52 0.00 0.00 37.83 34.30 1dqg s LYS 80 CO -0.09 -0.00 -0.15 -1.58 -0.92 0.00 0.00 175.35 172.60 1dqg s TRP 81 N 1.11 2.40 0.06 3.18 0.52 0.47 -0.99 118.94 125.69 1dqg s TRP 81 Ca 0.04 -0.30 -0.14 0.00 0.02 0.00 0.00 56.10 55.71 1dqg s TRP 81 Cb -0.14 -1.05 0.02 0.00 -1.15 0.00 0.00 33.47 31.15 1dqg s TRP 81 CO 0.03 0.68 0.32 -1.83 0.02 0.00 0.00 176.95 176.17 1dqg s GLU 82 N -3.51 0.86 0.19 4.98 -1.05 0.46 -4.54 118.70 116.08 1dqg s GLU 82 Ca 0.30 -0.54 -0.28 0.00 -0.15 0.00 0.00 54.97 54.30 1dqg s GLU 82 Cb -0.06 0.37 -0.08 0.00 -0.44 0.00 0.00 34.13 33.92 1dqg s GLU 82 CO 0.16 -0.29 0.86 0.00 0.95 0.00 0.00 175.26 176.95 1dqg n LYS 84 N 1.71 3.98 -2.64 0.00 4.76 0.29 -4.97 118.16 121.28 1dqg n LYS 84 Ca -0.03 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.16 1dqg n LYS 84 Cb 0.48 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.70 1dqg n LYS 84 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1dqg s ASN 85 N -0.50 5.60 -1.49 4.39 0.02 -1.26 -4.52 114.94 117.18 1dqg s ASN 85 Ca 0.00 0.45 -0.06 0.00 -1.02 0.00 0.00 52.86 52.23 1dqg s ASN 85 Cb 0.00 -1.50 0.01 0.00 0.02 0.00 0.00 41.25 39.77 1dqg s ASN 85 CO 0.00 -0.97 0.13 0.47 0.02 0.00 0.00 177.10 176.76 1dqg n ASP 86 N -2.38 0.05 0.00 -1.22 8.00 -1.26 0.06 116.55 119.80 1dqg n ASP 86 Ca 0.04 -1.27 0.00 0.00 0.71 0.00 0.00 54.79 54.27 1dqg n ASP 86 Cb 0.58 -1.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.00 1dqg n ASP 86 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1dqg n THR 87 N -4.66 0.00 -1.96 -3.53 -2.24 -1.26 -4.91 114.28 95.72 1dqg n THR 87 Ca -0.29 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.07 1dqg n THR 87 Cb 0.68 -0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.72 1dqg n THR 87 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1dqg s LEU 88 N 0.00 4.38 -0.02 3.22 2.96 0.11 -1.31 118.68 128.01 1dqg s LEU 88 Ca 0.00 2.76 0.02 0.00 -0.22 0.00 0.00 54.13 56.69 1dqg s LEU 88 Cb 0.00 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 43.06 1dqg s LEU 88 CO 0.00 -0.74 -0.07 0.12 -1.32 0.00 0.00 176.35 174.34 1dqg s PHE 89 N -0.20 0.74 0.14 5.38 5.36 -0.89 -0.55 117.98 127.96 1dqg s PHE 89 Ca 0.59 -0.17 -0.14 0.00 -0.96 0.00 0.00 56.93 56.25 1dqg s PHE 89 Cb -0.43 -0.55 0.05 0.00 -0.34 0.00 0.00 43.02 41.75 1dqg s PHE 89 CO 0.47 -0.08 0.67 0.41 -1.46 0.00 0.00 175.22 175.22 1dqg n GLY 90 N 3.34 0.89 3.77 13.12 0.00 -0.93 -0.89 105.19 124.49 1dqg n GLY 90 Ca -0.18 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 1dqg n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dqg s ILE 91 N -2.25 2.31 0.07 -0.61 -1.09 -0.58 -0.40 121.20 118.65 1dqg s ILE 91 Ca 0.15 0.30 -0.31 0.00 -2.23 0.00 0.00 60.65 58.56 1dqg s ILE 91 Cb -0.02 -3.19 -0.08 0.00 -1.58 0.00 0.00 42.46 37.58 1dqg s ILE 91 CO 0.04 0.07 1.66 -0.75 -1.23 0.00 0.00 174.94 174.73 1dqg s LYS 92 N -1.56 4.19 0.00 2.79 2.20 -0.16 -2.88 119.74 124.33 1dqg s LYS 92 Ca 0.54 2.34 0.00 0.00 -0.36 0.00 0.00 55.97 58.49 1dqg s LYS 92 Cb -0.44 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.28 1dqg s LYS 92 CO 0.56 -0.74 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 1dqg n GLY 93 N 4.00 0.83 2.99 5.54 0.00 -1.26 -4.96 105.19 112.34 1dqg n GLY 93 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 1dqg n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dqg s THR 94 N -3.27 0.54 -1.45 2.61 2.01 -1.14 -5.05 115.64 109.89 1dqg s THR 94 Ca 0.00 -0.38 -0.09 0.00 0.31 0.00 0.00 61.69 61.53 1dqg s THR 94 Cb 0.00 -0.47 0.04 0.00 0.01 0.00 0.00 72.50 72.08 1dqg s THR 94 CO 0.00 0.09 2.51 -0.62 -0.69 0.00 0.00 174.62 175.92 1dqg n GLU 95 N 2.75 3.94 -4.52 4.92 1.02 -1.26 -4.33 120.64 123.16 1dqg n GLU 95 Ca -0.14 -2.91 -0.24 0.00 -0.02 0.00 0.00 57.16 53.85 1dqg n GLU 95 Cb 0.57 -2.81 -0.16 0.00 -0.02 0.00 0.00 31.44 29.02 1dqg n GLU 95 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1dqg s LEU 96 N -0.53 1.60 0.03 -4.62 1.43 -1.26 -4.69 118.68 110.64 1dqg s LEU 96 Ca 0.57 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 1dqg s LEU 96 Cb 0.17 -0.76 -0.03 0.00 0.03 0.00 0.00 46.19 45.59 1dqg s LEU 96 CO -0.07 0.02 -0.08 -0.31 0.23 0.00 0.00 176.35 176.14 1dqg s TYR 97 N 0.69 2.83 -0.14 0.29 1.51 0.32 -1.53 117.35 121.33 1dqg s TYR 97 Ca -0.14 -0.08 -0.29 0.00 -1.01 0.00 0.00 57.07 55.55 1dqg s TYR 97 Cb -0.15 -1.56 -0.05 0.00 -0.11 0.00 0.00 41.96 40.08 1dqg s TYR 97 CO 0.03 0.38 1.90 0.12 -1.11 0.00 0.00 175.55 176.86 1dqg s PHE 98 N -1.05 1.58 0.02 2.71 5.36 -0.07 -0.97 117.98 125.56 1dqg s PHE 98 Ca 0.18 0.23 0.01 0.00 -0.96 0.00 0.00 56.93 56.40 1dqg s PHE 98 Cb -0.11 -4.04 -0.01 0.00 -0.34 0.00 0.00 43.02 38.51 1dqg s PHE 98 CO 0.09 -4.08 -0.04 1.21 -1.46 0.00 0.00 175.22 170.93 1dqg s ASN 99 N 5.46 0.48 -0.06 6.13 3.84 0.57 -4.22 114.94 127.13 1dqg s ASN 99 Ca 0.85 -0.29 -0.05 0.00 0.21 0.00 0.00 52.86 53.58 1dqg s ASN 99 Cb -0.33 0.01 0.02 0.00 -0.55 0.00 0.00 41.25 40.41 1dqg s ASN 99 CO 0.35 -0.10 0.15 -0.47 -2.79 0.00 0.00 177.10 174.23 1dqg s TYR 100 N -0.74 -0.17 0.00 0.43 5.04 -0.97 -0.97 117.35 119.97 1dqg s TYR 100 Ca -0.06 0.43 0.00 0.00 -2.44 0.00 0.00 57.07 55.01 1dqg s TYR 100 Cb -0.06 0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.28 1dqg s TYR 100 CO -0.00 -0.10 0.00 0.41 -1.34 0.00 0.00 175.55 174.51 1dqg n GLY 101 N 3.32 1.46 3.84 8.97 0.00 -1.26 -4.73 105.19 116.79 1dqg n GLY 101 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1dqg n GLY 101 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dqg s ASN 102 N -0.80 6.78 -1.22 1.61 -0.87 -1.26 -4.42 114.94 114.76 1dqg s ASN 102 Ca 0.00 1.36 -0.08 0.00 -1.57 0.00 0.00 52.86 52.57 1dqg s ASN 102 Cb 0.00 -2.41 0.06 0.00 -0.02 0.00 0.00 41.25 38.89 1dqg s ASN 102 CO 0.00 -0.26 0.42 0.54 -2.57 0.00 0.00 177.10 175.23 1dqg n ARG 103 N -0.53 -3.21 -1.22 -0.60 5.12 -1.26 -2.23 116.66 112.73 1dqg n ARG 103 Ca 0.04 0.47 -0.09 0.00 -1.93 0.00 0.00 57.85 56.34 1dqg n ARG 103 Cb 0.53 -5.15 -0.04 0.00 -1.16 0.00 0.00 32.46 26.64 1dqg n ARG 103 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1dqg n GLN 104 N -3.59 -1.75 -2.73 5.56 1.13 -1.26 -4.93 117.38 109.82 1dqg n GLN 104 Ca -0.03 0.78 -0.43 0.00 -1.94 0.00 0.00 57.00 55.39 1dqg n GLN 104 Cb 0.55 -5.16 -0.03 0.00 0.11 0.00 0.00 30.24 25.71 1dqg n GLN 104 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1dqg s GLU 105 N -2.68 4.27 0.27 -1.09 2.56 -0.95 -4.94 118.70 116.14 1dqg s GLU 105 Ca 0.00 1.25 0.14 0.00 0.00 0.00 0.00 54.97 56.36 1dqg s GLU 105 Cb 0.00 -3.62 0.21 0.00 2.00 0.00 0.00 34.13 32.72 1dqg s GLU 105 CO 0.00 -0.53 1.51 0.87 -0.56 0.00 0.00 175.26 176.54 1dqg h LYS 106 N 7.43 0.00 -6.77 4.30 1.57 -1.91 -3.42 116.57 117.77 1dqg h LYS 106 Ca -0.22 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.07 1dqg h LYS 106 Cb 1.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 1dqg h LYS 106 CO 0.93 0.60 0.26 1.21 -0.57 0.00 0.00 179.45 181.88 1dqg s ASN 107 N -6.56 7.23 0.28 0.86 2.47 -1.26 -4.11 114.94 113.85 1dqg s ASN 107 Ca 0.01 1.68 -0.29 0.00 0.42 0.00 0.00 52.86 54.68 1dqg s ASN 107 Cb 0.10 -2.52 -0.13 0.00 -1.45 0.00 0.00 41.25 37.25 1dqg s ASN 107 CO 0.75 -0.04 1.26 -0.38 -3.72 0.00 0.00 177.10 174.97 1dqg n ILE 108 N 0.60 1.55 -4.30 -5.21 2.08 -0.15 -4.91 119.36 109.01 1dqg n ILE 108 Ca 0.00 -0.39 -0.21 0.00 0.56 0.00 0.00 62.75 62.72 1dqg n ILE 108 Cb 0.50 -1.35 -0.11 0.00 -0.75 0.00 0.00 39.64 37.93 1dqg n ILE 108 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1dqg s LYS 109 N -1.18 1.19 0.21 0.38 -0.14 -0.14 -1.31 119.74 118.76 1dqg s LYS 109 Ca 0.62 -1.33 -0.30 0.00 -1.36 0.00 0.00 55.97 53.60 1dqg s LYS 109 Cb -0.65 -1.25 -0.08 0.00 -1.68 0.00 0.00 37.83 34.17 1dqg s LYS 109 CO 0.57 0.26 1.13 -0.51 -0.76 0.00 0.00 175.35 176.04 1dqg s LEU 110 N -2.50 4.49 0.00 3.17 1.43 0.04 -0.32 118.68 125.00 1dqg s LEU 110 Ca 0.13 2.20 -0.02 0.00 -1.03 0.00 0.00 54.13 55.40 1dqg s LEU 110 Cb -0.06 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 1dqg s LEU 110 CO 0.05 -0.25 0.03 -0.47 0.23 0.00 0.00 176.35 175.95 1dqg s TYR 111 N -0.47 0.12 0.03 0.29 5.04 -0.14 -0.41 117.35 121.81 1dqg s TYR 111 Ca 0.49 -0.25 0.22 0.00 -2.44 0.00 0.00 57.07 55.09 1dqg s TYR 111 Cb -0.31 -0.10 0.69 0.00 0.35 0.00 0.00 41.96 42.59 1dqg s TYR 111 CO 0.38 -0.17 1.73 0.87 -1.34 0.00 0.00 175.55 177.01 1dqg h LYS 112 N 4.94 0.00 -7.08 4.97 1.57 -1.88 0.94 116.57 120.04 1dqg h LYS 112 Ca -0.30 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.02 1dqg h LYS 112 Cb 1.20 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.53 1dqg h LYS 112 CO 0.43 0.27 0.38 0.20 -0.57 0.00 0.00 179.45 180.16 1dqg s GLY 113 N -4.32 2.48 -0.16 3.86 0.00 -1.26 -4.86 107.32 103.06 1dqg s GLY 113 Ca 0.02 0.57 0.15 0.00 0.00 0.00 0.00 44.72 45.45 1dqg s GLY 113 CO 0.66 0.88 1.21 -1.14 0.00 0.00 0.00 173.10 174.71 1dqg n SER 114 N -0.95 1.60 -3.09 1.64 3.41 -1.26 -4.70 113.62 110.26 1dqg n SER 114 Ca 0.09 -3.41 0.00 0.00 -0.26 0.00 0.00 58.87 55.29 1dqg n SER 114 Cb 0.53 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1dqg n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dqg n GLY 115 N -0.69 0.06 0.28 5.00 0.00 -1.26 -4.84 105.19 103.74 1dqg n GLY 115 Ca 0.16 -1.49 0.17 0.00 0.00 0.00 0.00 46.02 44.86 1dqg n GLY 115 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1dqg h LEU 116 N 0.00 0.00 -0.48 0.99 3.38 -1.96 -2.62 115.31 114.62 1dqg h LEU 116 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1dqg h LEU 116 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1dqg h LEU 116 CO 0.00 0.05 -0.15 0.79 0.09 0.00 0.00 178.44 179.21 1dqg n TRP 117 N -3.24 0.00 -0.14 1.13 8.01 -1.26 -3.39 117.44 118.54 1dqg n TRP 117 Ca -0.01 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.24 1dqg n TRP 117 Cb 0.25 -0.11 0.16 0.00 -2.01 0.00 0.00 31.31 29.59 1dqg n TRP 117 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 1dqg n SER 118 N -0.61 2.94 -4.49 -0.99 7.64 -0.99 -2.29 113.62 114.84 1dqg n SER 118 Ca 0.15 -1.96 -0.34 0.00 1.01 0.00 0.00 58.87 57.72 1dqg n SER 118 Cb 0.32 -0.23 -0.12 0.00 -1.01 0.00 0.00 64.21 63.16 1dqg n SER 118 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1dqg s ARG 119 N -1.00 3.65 -0.02 1.43 0.52 -1.22 -2.10 118.95 120.21 1dqg s ARG 119 Ca 0.25 -0.53 -0.01 0.00 -0.52 0.00 0.00 55.73 54.91 1dqg s ARG 119 Cb 0.13 -2.91 0.01 0.00 0.52 0.00 0.00 34.95 32.70 1dqg s ARG 119 CO 0.17 0.22 0.05 -1.58 0.02 0.00 0.00 175.30 174.18 1dqg s TRP 120 N 0.40 -0.04 0.28 -0.53 0.52 -0.43 -4.53 118.94 114.62 1dqg s TRP 120 Ca -0.04 0.15 0.11 0.00 0.02 0.00 0.00 56.10 56.35 1dqg s TRP 120 Cb -0.14 -0.06 -0.05 0.00 -1.15 0.00 0.00 33.47 32.07 1dqg s TRP 120 CO 0.03 -0.05 -0.16 0.15 0.02 0.00 0.00 176.95 176.94 1dqg s LYS 121 N 0.42 1.80 -0.03 4.98 1.02 0.96 -4.06 119.74 124.83 1dqg s LYS 121 Ca -0.03 -1.71 -0.30 0.00 0.02 0.00 0.00 55.97 53.95 1dqg s LYS 121 Cb -0.05 -1.84 -0.06 0.00 -0.52 0.00 0.00 37.83 35.36 1dqg s LYS 121 CO -0.01 0.33 1.72 0.08 -0.92 0.00 0.00 175.35 176.55 1dqg s VAL 122 N -2.48 3.44 0.18 3.17 1.01 -0.15 -0.79 120.40 124.78 1dqg s VAL 122 Ca 0.30 0.55 -0.33 0.00 0.00 0.00 0.00 61.98 62.50 1dqg s VAL 122 Cb -0.05 -3.35 -0.14 0.00 0.00 0.00 0.00 36.38 32.84 1dqg s VAL 122 CO 0.16 -0.05 1.54 0.00 0.00 0.00 0.00 175.10 176.75 1dqg n TYR 123 N 7.16 2.25 -0.53 5.22 9.36 -0.30 -1.58 117.16 138.74 1dqg n TYR 123 Ca 0.18 0.31 0.00 0.00 3.32 0.00 0.00 57.90 61.71 1dqg n TYR 123 Cb 0.42 -2.52 0.00 0.00 -0.63 0.00 0.00 39.34 36.61 1dqg n TYR 123 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1dqg n GLY 124 N 3.13 0.74 3.23 2.98 0.00 -1.26 -4.78 105.19 109.24 1dqg n GLY 124 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 1dqg n GLY 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dqg s THR 125 N -2.20 0.00 -0.40 2.61 -4.23 -0.61 -5.04 115.64 105.77 1dqg s THR 125 Ca 0.00 -1.95 0.16 0.00 -1.18 0.00 0.00 61.69 58.71 1dqg s THR 125 Cb 0.00 -2.48 0.65 0.00 1.34 0.00 0.00 72.50 72.01 1dqg s THR 125 CO 0.00 0.00 1.56 0.35 -0.54 0.00 0.00 174.62 175.99 1dqg n THR 126 N -0.29 2.30 -3.74 3.99 -2.24 -1.26 -4.65 114.28 108.39 1dqg n THR 126 Ca 0.02 -1.55 -0.27 0.00 -2.27 0.00 0.00 64.05 59.98 1dqg n THR 126 Cb 0.66 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 1dqg n THR 126 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1dqg s ASP 127 N -1.31 6.37 1.03 3.42 1.01 -1.26 -4.98 116.67 120.95 1dqg s ASP 127 Ca 0.47 0.35 -0.14 0.00 0.71 0.00 0.00 52.55 53.93 1dqg s ASP 127 Cb 0.35 -1.99 0.20 0.00 1.01 0.00 0.00 42.92 42.50 1dqg s ASP 127 CO 0.14 -0.03 1.13 1.51 0.21 0.00 0.00 175.17 178.13 1dqg s ASP 128 N -3.22 2.44 0.50 0.27 1.47 -1.26 -0.97 116.67 115.89 1dqg s ASP 128 Ca 0.38 0.90 0.27 0.00 1.18 0.00 0.00 52.55 55.28 1dqg s ASP 128 Cb -0.11 -1.38 1.25 0.00 -0.34 0.00 0.00 42.92 42.34 1dqg s ASP 128 CO 0.29 -3.21 1.97 -0.07 0.68 0.00 0.00 175.17 174.83 1dqg h LEU 129 N -1.95 0.00 0.00 2.11 3.38 -1.90 -2.51 115.31 114.45 1dqg h LEU 129 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1dqg h LEU 129 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1dqg h LEU 129 CO 0.52 0.15 0.00 0.00 0.09 0.00 0.00 178.44 179.20 1dqg n SER 131 N -1.19 0.13 -0.63 0.00 3.41 -0.94 -2.13 113.62 112.27 1dqg n SER 131 Ca 0.13 0.53 0.07 0.00 -0.26 0.00 0.00 58.87 59.34 1dqg n SER 131 Cb 0.15 -0.56 0.18 0.00 -0.26 0.00 0.00 64.21 63.72 1dqg n SER 131 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1dqg n ARG 132 N -1.64 2.75 0.00 4.33 5.12 -0.85 -5.03 116.66 121.34 1dqg n ARG 132 Ca 0.04 -2.40 0.00 0.00 -1.93 0.00 0.00 57.85 53.56 1dqg n ARG 132 Cb 0.21 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 1dqg n ARG 132 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1dqg n GLY 133 N -0.23 4.38 3.50 -0.13 0.00 -0.90 -4.57 105.19 107.24 1dqg n GLY 133 Ca 0.15 -1.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.03 1dqg n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dqg s TYR 134 N 2.08 2.34 0.00 1.61 1.51 -1.26 -5.09 117.35 118.55 1dqg s TYR 134 Ca 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.70 1dqg s TYR 134 Cb 0.00 -1.09 0.00 0.00 -0.11 0.00 0.00 41.96 40.76 1dqg s TYR 134 CO 0.00 0.68 0.00 0.39 -1.11 0.00 0.00 175.55 175.51