#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqg s SER 2 N 0.00 -0.61 -1.48 1.61 1.04 -1.26 -4.95 113.70 108.05 2yqg s SER 2 Ca 0.00 0.51 -0.09 0.00 0.48 0.00 0.00 55.95 56.85 2yqg s SER 2 Cb 0.00 0.53 0.06 0.00 0.10 0.00 0.00 66.02 66.71 2yqg s SER 2 CO 0.00 -0.67 0.81 -1.20 0.98 0.00 0.00 173.24 173.17 2yqg n SER 3 N 0.57 -3.10 -4.11 7.02 7.64 -1.26 -4.96 113.62 115.42 2yqg n SER 3 Ca -0.17 -0.85 -0.33 0.00 1.01 0.00 0.00 58.87 58.53 2yqg n SER 3 Cb 0.59 -3.68 -0.16 0.00 -1.01 0.00 0.00 64.21 59.95 2yqg n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yqg s GLY 4 N -3.72 1.39 0.24 0.23 0.00 -1.26 -5.10 107.32 99.10 2yqg s GLY 4 Ca 0.42 -1.23 -0.21 0.00 0.00 0.00 0.00 44.72 43.69 2yqg s GLY 4 CO 0.85 0.32 0.67 -0.56 0.00 0.00 0.00 173.10 174.37 2yqg s SER 5 N 1.29 -0.33 -0.00 1.64 0.01 -1.26 -5.07 113.70 109.98 2yqg s SER 5 Ca 0.04 -0.47 -0.17 0.00 1.31 0.00 0.00 55.95 56.66 2yqg s SER 5 Cb -0.13 0.68 0.03 0.00 0.21 0.00 0.00 66.02 66.81 2yqg s SER 5 CO -0.12 -1.23 0.36 -0.55 0.41 0.00 0.00 173.24 172.11 2yqg s SER 6 N -2.88 -0.25 -0.56 2.44 0.15 -1.26 -5.09 113.70 106.25 2yqg s SER 6 Ca 0.09 0.12 0.06 0.00 0.70 0.00 0.00 55.95 56.92 2yqg s SER 6 Cb -0.04 0.36 0.32 0.00 -1.71 0.00 0.00 66.02 64.94 2yqg s SER 6 CO 0.02 -0.51 0.87 0.61 1.20 0.00 0.00 173.24 175.43 2yqg n GLY 7 N 1.06 5.17 2.89 9.45 0.00 -1.26 -5.00 105.19 117.50 2yqg n GLY 7 Ca -0.21 -2.64 -0.30 0.00 0.00 0.00 0.00 46.02 42.87 2yqg n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yqg s GLN 8 N -3.10 1.23 0.31 1.61 -1.52 -1.26 -5.10 119.66 111.83 2yqg s GLN 8 Ca 0.46 -1.34 -0.21 0.00 -1.95 0.00 0.00 55.36 52.31 2yqg s GLN 8 Cb 0.26 -2.59 -0.15 0.00 -0.22 0.00 0.00 33.01 30.31 2yqg s GLN 8 CO -0.11 -0.87 0.19 1.63 -0.25 0.00 0.00 175.29 175.89 2yqg n LYS 9 N 4.58 0.00 -3.78 2.91 4.76 -1.26 -4.98 118.16 120.39 2yqg n LYS 9 Ca -0.02 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.29 2yqg n LYS 9 Cb 0.43 -0.91 -0.12 0.00 -1.84 0.00 0.00 35.03 32.59 2yqg n LYS 9 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2yqg s ARG 10 N -0.91 0.28 -0.14 1.97 3.03 -1.26 -5.07 118.95 116.85 2yqg s ARG 10 Ca 0.55 0.38 -0.11 0.00 2.03 0.00 0.00 55.73 58.58 2yqg s ARG 10 Cb -0.66 0.11 -0.08 0.00 -1.03 0.00 0.00 34.95 33.29 2yqg s ARG 10 CO 0.55 -0.05 0.06 0.00 -1.13 0.00 0.00 175.30 174.73 2yqg h ALA 11 N 5.95 0.05 -3.88 7.88 0.00 -1.98 -3.47 119.26 123.80 2yqg h ALA 11 Ca -0.28 -0.49 -0.69 0.00 0.00 0.00 0.00 54.91 53.46 2yqg h ALA 11 Cb 1.19 0.34 -0.21 0.00 0.00 0.00 0.00 17.79 19.11 2yqg h ALA 11 CO 0.35 0.33 -0.75 1.67 0.00 0.00 0.00 179.25 180.86 2yqg s TRP 12 N -2.06 2.76 -1.33 0.00 -2.14 -1.26 -4.96 118.94 109.94 2yqg s TRP 12 Ca -0.14 -0.12 -0.16 0.00 2.66 0.00 0.00 56.10 58.35 2yqg s TRP 12 Cb 0.02 -1.62 0.01 0.00 -3.10 0.00 0.00 33.47 28.78 2yqg s TRP 12 CO 0.28 0.26 2.15 -0.89 -2.66 0.00 0.00 176.95 176.09 2yqg n ILE 13 N 2.04 3.19 -3.16 0.66 5.41 -1.26 -4.94 119.36 121.30 2yqg n ILE 13 Ca -0.17 -2.82 -0.39 0.00 1.00 0.00 0.00 62.75 60.38 2yqg n ILE 13 Cb 0.52 -2.54 -0.06 0.00 -0.71 0.00 0.00 39.64 36.85 2yqg n ILE 13 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2yqg s THR 14 N 3.64 4.60 0.14 1.39 -4.23 -1.26 -5.06 115.64 114.85 2yqg s THR 14 Ca 0.49 1.38 0.08 0.00 -1.18 0.00 0.00 61.69 62.47 2yqg s THR 14 Cb 0.13 -3.98 -0.04 0.00 1.34 0.00 0.00 72.50 69.96 2yqg s THR 14 CO -0.04 0.51 -0.11 0.00 -0.54 0.00 0.00 174.62 174.44 2yqg s ALA 15 N -1.16 2.92 -0.05 3.99 0.00 -1.26 -5.09 121.76 121.10 2yqg s ALA 15 Ca 0.33 -1.35 -0.30 0.00 0.00 0.00 0.00 51.96 50.63 2yqg s ALA 15 Cb -0.20 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 2yqg s ALA 15 CO 0.22 0.56 1.49 -1.25 0.00 0.00 0.00 175.76 176.78 2yqg s PRO 16 N -2.47 4.23 -0.09 0.00 0.04 -1.26 -4.98 135.00 130.47 2yqg s PRO 16 Ca 0.22 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.98 2yqg s PRO 16 Cb -0.10 -3.78 -0.02 0.00 0.04 0.00 0.00 34.50 30.64 2yqg s PRO 16 CO 0.14 -0.72 1.11 0.08 0.04 0.00 0.00 177.00 177.65 2yqg s VAL 17 N 3.29 4.50 -0.60 -0.36 1.01 -1.26 -4.99 120.40 121.99 2yqg s VAL 17 Ca 0.66 1.80 0.04 0.00 0.00 0.00 0.00 61.98 64.49 2yqg s VAL 17 Cb -0.31 -4.16 0.16 0.00 0.00 0.00 0.00 36.38 32.08 2yqg s VAL 17 CO 0.26 -0.01 0.40 0.00 0.00 0.00 0.00 175.10 175.75 2yqg s ALA 18 N 2.19 3.11 0.24 5.51 0.00 -1.26 -2.60 121.76 128.95 2yqg s ALA 18 Ca 0.52 -3.36 -0.05 0.00 0.00 0.00 0.00 51.96 49.07 2yqg s ALA 18 Cb -0.21 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 20.82 2yqg s ALA 18 CO 0.19 -2.06 0.50 -0.51 0.00 0.00 0.00 175.76 173.88 2yqg s LEU 19 N -0.81 4.14 -0.10 0.00 1.43 -1.25 -4.94 118.68 117.16 2yqg s LEU 19 Ca 0.24 0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 53.87 2yqg s LEU 19 Cb -0.08 -3.45 -0.05 0.00 0.03 0.00 0.00 46.19 42.64 2yqg s LEU 19 CO -0.13 -0.11 0.34 -0.60 0.23 0.00 0.00 176.35 176.08 2yqg s ARG 20 N -3.27 4.05 0.55 1.70 3.52 -1.26 -2.54 118.95 121.71 2yqg s ARG 20 Ca 0.43 0.22 -0.16 0.00 -0.13 0.00 0.00 55.73 56.09 2yqg s ARG 20 Cb -0.11 -3.33 -0.06 0.00 -1.56 0.00 0.00 34.95 29.89 2yqg s ARG 20 CO 0.28 0.45 1.01 -1.83 -0.81 0.00 0.00 175.30 174.40 2yqg s GLU 21 N -0.22 3.69 0.00 5.12 -1.05 -1.24 -4.45 118.70 120.54 2yqg s GLU 21 Ca 0.20 1.03 0.00 0.00 -0.15 0.00 0.00 54.97 56.05 2yqg s GLU 21 Cb -0.14 -2.09 0.00 0.00 -0.44 0.00 0.00 34.13 31.45 2yqg s GLU 21 CO 0.08 -0.50 0.00 0.41 0.95 0.00 0.00 175.26 176.20 2yqg n GLY 22 N -1.46 3.81 3.39 -3.83 0.00 -1.22 -3.99 105.19 101.88 2yqg n GLY 22 Ca 0.07 -0.82 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 2yqg n GLY 22 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2yqg s GLU 23 N 0.00 1.53 -0.38 1.61 -1.05 -1.26 -4.98 118.70 114.16 2yqg s GLU 23 Ca 0.00 -1.83 -0.29 0.00 -0.15 0.00 0.00 54.97 52.70 2yqg s GLU 23 Cb 0.00 -0.61 0.02 0.00 -0.44 0.00 0.00 34.13 33.09 2yqg s GLU 23 CO 0.00 -0.22 1.22 0.34 0.95 0.00 0.00 175.26 177.55 2yqg s ASP 24 N -3.40 6.66 -0.10 0.83 -1.08 -1.26 -4.32 116.67 113.99 2yqg s ASP 24 Ca 0.36 0.87 -0.03 0.00 -0.52 0.00 0.00 52.55 53.23 2yqg s ASP 24 Cb 0.08 -2.54 -0.06 0.00 -1.46 0.00 0.00 42.92 38.94 2yqg s ASP 24 CO 0.14 -1.15 2.71 0.18 0.52 0.00 0.00 175.17 177.56 2yqg n LEU 25 N 7.73 5.62 -1.85 -1.34 7.99 -1.25 -4.60 117.00 129.30 2yqg n LEU 25 Ca 0.14 -3.04 -0.11 0.00 -0.01 0.00 0.00 56.01 52.99 2yqg n LEU 25 Cb 0.48 -1.24 -0.03 0.00 -0.11 0.00 0.00 43.42 42.52 2yqg n LEU 25 CO 0.66 1.39 1.27 -0.24 -1.51 0.00 0.00 177.39 178.96 2yqg n SER 26 N 1.62 5.81 0.01 -1.43 2.88 -1.25 -3.84 113.62 117.43 2yqg n SER 26 Ca 0.27 -2.73 0.00 0.00 -1.33 0.00 0.00 58.87 55.08 2yqg n SER 26 Cb 0.67 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 2yqg n SER 26 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2yqg n LYS 27 N 1.27 0.00 -0.25 -1.46 5.02 -1.26 -4.82 118.16 116.66 2yqg n LYS 27 Ca 0.24 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.48 2yqg n LYS 27 Cb 0.61 -0.33 0.06 0.00 -0.02 0.00 0.00 35.03 35.36 2yqg n LYS 27 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2yqg h LYS 28 N 0.00 0.91 -4.76 1.97 6.56 -1.97 -3.44 116.57 115.83 2yqg h LYS 28 Ca 0.00 -0.05 -0.51 0.00 -1.06 0.00 0.00 60.65 59.03 2yqg h LYS 28 Cb 0.56 -0.20 0.11 0.00 -0.57 0.00 0.00 32.23 32.13 2yqg h LYS 28 CO 0.00 0.60 -0.63 0.27 -2.06 0.00 0.00 179.45 177.63 2yqg n ASN 29 N -4.61 -1.80 -4.72 0.86 0.23 -1.26 -4.40 115.26 99.55 2yqg n ASN 29 Ca 0.07 0.74 -0.42 0.00 -0.53 0.00 0.00 54.58 54.44 2yqg n ASN 29 Cb 0.03 -0.72 -0.03 0.00 -2.08 0.00 0.00 39.78 36.98 2yqg n ASN 29 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2yqg s PRO 30 N -0.79 4.36 0.01 -0.53 0.04 -1.26 -5.07 135.00 131.76 2yqg s PRO 30 Ca 0.48 2.04 0.10 0.00 0.04 0.00 0.00 61.00 63.66 2yqg s PRO 30 Cb -0.59 -3.24 -0.22 0.00 0.04 0.00 0.00 34.50 30.49 2yqg s PRO 30 CO 0.48 -0.34 0.88 -0.84 0.04 0.00 0.00 177.00 177.22 2yqg h ILE 31 N 4.07 1.15 -2.18 0.56 3.07 -1.77 -3.47 117.51 118.94 2yqg h ILE 31 Ca -0.43 -2.95 -0.49 0.00 1.55 0.00 0.00 64.86 62.53 2yqg h ILE 31 Cb 1.21 2.57 -0.04 0.00 -0.27 0.00 0.00 36.82 40.30 2yqg h ILE 31 CO 0.82 0.66 -0.50 0.00 -1.05 0.00 0.00 178.15 178.08 2yqg s ALA 32 N -2.64 3.69 -0.30 0.16 0.00 -1.26 -4.93 121.76 116.48 2yqg s ALA 32 Ca -0.03 -1.38 -0.06 0.00 0.00 0.00 0.00 51.96 50.50 2yqg s ALA 32 Cb 0.09 -1.41 0.17 0.00 0.00 0.00 0.00 23.12 21.96 2yqg s ALA 32 CO 0.82 0.24 0.67 0.21 0.00 0.00 0.00 175.76 177.70 2yqg s LYS 33 N -3.88 0.53 -0.08 0.00 2.20 -1.26 -4.57 119.74 112.68 2yqg s LYS 33 Ca 0.33 1.09 0.02 0.00 -0.36 0.00 0.00 55.97 57.06 2yqg s LYS 33 Cb -0.08 0.63 0.01 0.00 -1.51 0.00 0.00 37.83 36.88 2yqg s LYS 33 CO 0.26 -0.43 -0.12 0.96 -0.36 0.00 0.00 175.35 175.66 2yqg s ILE 34 N 2.86 1.18 -0.23 5.43 -4.36 -1.26 -4.71 121.20 120.10 2yqg s ILE 34 Ca 0.09 -0.48 -0.13 0.00 -0.26 0.00 0.00 60.65 59.88 2yqg s ILE 34 Cb -0.13 -1.09 0.07 0.00 1.25 0.00 0.00 42.46 42.57 2yqg s ILE 34 CO -0.19 0.37 0.56 -1.00 0.24 0.00 0.00 174.94 174.92 2yqg s HIS 35 N 0.83 -0.89 -0.52 1.37 3.76 -1.26 -5.02 115.29 113.57 2yqg s HIS 35 Ca -0.11 1.79 0.05 0.00 -0.15 0.00 0.00 55.06 56.63 2yqg s HIS 35 Cb -0.15 0.49 0.33 0.00 1.11 0.00 0.00 32.58 34.36 2yqg s HIS 35 CO 0.02 -0.46 1.16 0.45 -0.85 0.00 0.00 174.74 175.05 2yqg n SER 36 N 4.41 3.14 -3.61 1.40 2.88 -1.26 -4.65 113.62 115.93 2yqg n SER 36 Ca -0.20 -2.50 -0.28 0.00 -1.33 0.00 0.00 58.87 54.56 2yqg n SER 36 Cb 0.56 -0.60 -0.05 0.00 -0.75 0.00 0.00 64.21 63.37 2yqg n SER 36 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2yqg n ASP 37 N 0.11 -1.36 0.00 -3.46 5.68 -1.26 -4.60 116.55 111.66 2yqg n ASP 37 Ca 0.16 -0.72 0.00 0.00 -0.50 0.00 0.00 54.79 53.73 2yqg n ASP 37 Cb 0.77 -1.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.55 2yqg n ASP 37 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2yqg n LEU 38 N -3.13 1.55 0.08 -2.12 4.77 -1.26 -4.40 117.00 112.49 2yqg n LEU 38 Ca 0.08 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 2yqg n LEU 38 Cb 0.38 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.40 2yqg n LEU 38 CO 0.63 0.26 0.84 0.00 -1.33 0.00 0.00 177.39 177.78 2yqg h ALA 39 N 0.00 -0.12 0.23 -1.18 0.00 -1.81 0.32 119.26 116.70 2yqg h ALA 39 Ca 0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.56 2yqg h ALA 39 Cb 0.55 0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.43 2yqg h ALA 39 CO 0.00 -0.57 -1.46 1.49 0.00 0.00 0.00 179.25 178.71 2yqg h GLU 40 N -0.12 0.49 0.66 0.00 4.57 -1.88 0.23 114.58 118.53 2yqg h GLU 40 Ca -0.01 -0.83 -0.03 0.00 -1.18 0.00 0.00 59.36 57.31 2yqg h GLU 40 Cb 0.10 0.31 0.01 0.00 -0.16 0.00 0.00 28.75 29.01 2yqg h GLU 40 CO 0.01 1.40 -0.32 0.93 -1.18 0.00 0.00 179.01 179.85 2yqg h GLU 41 N 0.07 -0.86 -0.85 1.92 4.39 -1.76 -3.09 114.58 114.41 2yqg h GLU 41 Ca -0.26 0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.37 2yqg h GLU 41 Cb 2.10 0.20 -0.07 0.00 -0.10 0.00 0.00 28.75 30.87 2yqg h GLU 41 CO 0.24 -0.57 0.16 0.54 -1.16 0.00 0.00 179.01 178.22 2yqg n ARG 42 N -4.68 2.75 -3.69 2.33 5.12 0.11 -4.88 116.66 113.72 2yqg n ARG 42 Ca -0.11 -1.89 -0.25 0.00 -1.93 0.00 0.00 57.85 53.67 2yqg n ARG 42 Cb 0.35 -1.87 -0.05 0.00 -1.16 0.00 0.00 32.46 29.73 2yqg n ARG 42 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2yqg n GLY 43 N 0.03 -0.44 3.84 -0.13 0.00 -0.59 -4.87 105.19 103.03 2yqg n GLY 43 Ca 0.25 0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 2yqg n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yqg s LEU 44 N -6.29 3.36 -0.51 0.99 1.43 0.71 -4.95 118.68 113.42 2yqg s LEU 44 Ca 0.49 1.55 -0.19 0.00 -1.03 0.00 0.00 54.13 54.95 2yqg s LEU 44 Cb -0.29 -4.49 0.06 0.00 0.03 0.00 0.00 46.19 41.50 2yqg s LEU 44 CO 0.60 -0.93 0.63 -0.54 0.23 0.00 0.00 176.35 176.34 2yqg s LYS 45 N -4.70 3.11 -0.05 1.70 3.01 -1.26 -4.48 119.74 117.08 2yqg s LYS 45 Ca 0.58 -0.94 0.03 0.00 -1.01 0.00 0.00 55.97 54.63 2yqg s LYS 45 Cb -0.12 -4.12 0.01 0.00 -1.01 0.00 0.00 37.83 32.59 2yqg s LYS 45 CO 0.45 -1.25 -0.12 0.42 0.51 0.00 0.00 175.35 175.36 2yqg s ILE 46 N 2.63 1.08 -0.14 2.17 1.01 -1.26 -0.59 121.20 126.09 2yqg s ILE 46 Ca 0.15 -0.49 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 2yqg s ILE 46 Cb -0.20 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.28 2yqg s ILE 46 CO 0.11 0.33 -0.00 -0.89 0.00 0.00 0.00 174.94 174.49 2yqg s THR 47 N 0.35 4.24 -0.15 2.92 2.01 -0.28 -4.96 115.64 119.77 2yqg s THR 47 Ca -0.08 -0.24 -0.14 0.00 0.31 0.00 0.00 61.69 61.54 2yqg s THR 47 Cb -0.12 -2.85 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 2yqg s THR 47 CO 0.02 0.52 0.31 -0.31 -0.69 0.00 0.00 174.62 174.46 2yqg s TYR 48 N 0.02 3.47 0.18 4.92 2.02 -1.26 -1.23 117.35 125.47 2yqg s TYR 48 Ca 0.02 0.63 0.10 0.00 -0.37 0.00 0.00 57.07 57.45 2yqg s TYR 48 Cb -0.13 -2.35 -0.04 0.00 -0.40 0.00 0.00 41.96 39.04 2yqg s TYR 48 CO 0.02 0.25 -0.22 0.21 -1.57 0.00 0.00 175.55 174.25 2yqg s LYS 49 N 0.40 1.41 -0.03 -0.62 2.20 -0.16 -4.42 119.74 118.52 2yqg s LYS 49 Ca 0.17 -1.46 -0.08 0.00 -0.36 0.00 0.00 55.97 54.24 2yqg s LYS 49 Cb -0.13 -1.63 0.01 0.00 -1.51 0.00 0.00 37.83 34.57 2yqg s LYS 49 CO 0.05 0.35 0.18 0.71 -0.36 0.00 0.00 175.35 176.28 2yqg s TYR 50 N -1.78 -0.09 0.27 4.03 1.51 -1.26 -1.93 117.35 118.10 2yqg s TYR 50 Ca 0.18 0.17 -0.20 0.00 -1.01 0.00 0.00 57.07 56.22 2yqg s TYR 50 Cb -0.07 0.02 0.06 0.00 -0.11 0.00 0.00 41.96 41.86 2yqg s TYR 50 CO 0.08 -0.23 0.91 -0.08 -1.11 0.00 0.00 175.55 175.12 2yqg s THR 51 N -0.81 0.00 0.00 -0.71 -1.32 -1.25 -4.78 115.64 106.77 2yqg s THR 51 Ca -0.09 -0.79 0.00 0.00 -1.21 0.00 0.00 61.69 59.60 2yqg s THR 51 Cb -0.05 -2.77 0.00 0.00 -1.51 0.00 0.00 72.50 68.18 2yqg s THR 51 CO 0.01 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 2yqg n GLY 52 N -0.60 0.38 3.56 6.08 0.00 -1.26 -3.39 105.19 109.96 2yqg n GLY 52 Ca -0.06 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.08 2yqg n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yqg s LYS 53 N 0.00 3.69 0.00 1.61 2.47 -1.21 -2.12 119.74 124.17 2yqg s LYS 53 Ca 0.00 -0.31 0.00 0.00 -1.56 0.00 0.00 55.97 54.10 2yqg s LYS 53 Cb 0.00 -3.76 0.00 0.00 -1.46 0.00 0.00 37.83 32.61 2yqg s LYS 53 CO 0.00 -0.45 0.00 0.41 0.16 0.00 0.00 175.35 175.47 2yqg n GLY 54 N 4.91 0.95 1.53 5.54 0.00 -0.54 -4.68 105.19 112.91 2yqg n GLY 54 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2yqg n GLY 54 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2yqg n ILE 55 N -2.09 0.21 -0.01 -0.61 2.08 -1.24 -1.27 119.36 116.44 2yqg n ILE 55 Ca 0.00 0.07 0.05 0.00 0.56 0.00 0.00 62.75 63.43 2yqg n ILE 55 Cb 0.00 -0.67 -0.08 0.00 -0.75 0.00 0.00 39.64 38.13 2yqg n ILE 55 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 2yqg n THR 56 N -2.86 0.03 -4.05 1.39 5.66 -1.25 -4.72 114.28 108.48 2yqg n THR 56 Ca 0.00 -0.25 -0.35 0.00 -3.05 0.00 0.00 64.05 60.39 2yqg n THR 56 Cb 0.00 0.21 -0.09 0.00 -1.55 0.00 0.00 70.33 68.90 2yqg n THR 56 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2yqg s GLU 57 N -2.72 3.62 0.09 1.09 2.02 -0.90 -4.88 118.70 117.02 2yqg s GLU 57 Ca -0.04 -0.30 -0.31 0.00 0.02 0.00 0.00 54.97 54.34 2yqg s GLU 57 Cb 0.07 -3.12 -0.07 0.00 0.10 0.00 0.00 34.13 31.11 2yqg s GLU 57 CO 0.44 0.50 1.38 -1.25 0.02 0.00 0.00 175.26 176.36 2yqg s PRO 58 N -0.27 4.32 0.18 0.39 0.04 -1.26 -1.85 135.00 136.55 2yqg s PRO 58 Ca 0.09 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.86 2yqg s PRO 58 Cb -0.12 -3.33 -0.08 0.00 0.04 0.00 0.00 34.50 31.01 2yqg s PRO 58 CO 0.01 -0.46 1.32 -1.25 0.04 0.00 0.00 177.00 176.67 2yqg s PRO 59 N 1.39 4.38 -0.02 0.56 0.04 -1.26 -4.94 135.00 135.15 2yqg s PRO 59 Ca 0.64 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.77 2yqg s PRO 59 Cb -0.35 -3.21 -0.07 0.00 0.04 0.00 0.00 34.50 30.91 2yqg s PRO 59 CO 0.29 -0.29 0.08 1.97 0.04 0.00 0.00 177.00 179.10 2yqg n PHE 60 N 2.94 0.00 0.94 0.56 1.16 -0.77 -1.46 117.46 120.82 2yqg n PHE 60 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.65 2yqg n PHE 60 Cb 0.43 -0.14 0.01 0.00 -1.61 0.00 0.00 39.48 38.16 2yqg n PHE 60 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2yqg n GLY 61 N 2.36 2.01 0.11 4.97 0.00 -1.26 -3.51 105.19 109.86 2yqg n GLY 61 Ca -0.03 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 2yqg n GLY 61 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2yqg n ILE 62 N 0.40 1.42 -4.51 -0.61 5.41 -1.25 -4.67 119.36 115.54 2yqg n ILE 62 Ca 0.02 -0.78 -0.24 0.00 1.00 0.00 0.00 62.75 62.75 2yqg n ILE 62 Cb 0.50 -0.72 -0.17 0.00 -0.71 0.00 0.00 39.64 38.55 2yqg n ILE 62 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2yqg s PHE 63 N -2.50 1.34 -0.02 1.39 0.08 -0.40 -0.73 117.98 117.14 2yqg s PHE 63 Ca -0.17 -0.48 0.05 0.00 0.12 0.00 0.00 56.93 56.45 2yqg s PHE 63 Cb 0.07 -1.00 -0.03 0.00 -0.57 0.00 0.00 43.02 41.49 2yqg s PHE 63 CO 0.77 -0.26 -0.17 0.14 -0.10 0.00 0.00 175.22 175.60 2yqg s VAL 64 N 0.71 2.86 0.26 -0.44 -7.23 -0.15 -4.51 120.40 111.89 2yqg s VAL 64 Ca -0.14 -0.89 -0.01 0.00 -1.81 0.00 0.00 61.98 59.13 2yqg s VAL 64 Cb -0.16 -2.13 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 2yqg s VAL 64 CO 0.03 0.53 0.27 0.72 -0.31 0.00 0.00 175.10 176.34 2yqg s PHE 65 N -0.76 1.14 0.27 2.82 -0.71 -1.26 -1.45 117.98 118.03 2yqg s PHE 65 Ca 0.12 -1.32 -0.04 0.00 -1.04 0.00 0.00 56.93 54.65 2yqg s PHE 65 Cb -0.10 -0.39 0.02 0.00 -1.21 0.00 0.00 43.02 41.33 2yqg s PHE 65 CO 0.02 -0.83 0.43 -1.71 -1.34 0.00 0.00 175.22 171.79 2yqg n ASN 66 N -0.74 -1.21 -0.07 1.98 5.15 -1.26 -4.97 115.26 114.14 2yqg n ASN 66 Ca 0.02 -2.38 -0.09 0.00 -0.60 0.00 0.00 54.58 51.54 2yqg n ASN 66 Cb 0.64 2.17 -0.08 0.00 -0.53 0.00 0.00 39.78 41.98 2yqg n ASN 66 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 2yqg n LYS 67 N -0.43 1.01 0.00 1.20 2.85 -1.26 -3.11 118.16 118.42 2yqg n LYS 67 Ca -0.01 0.05 -0.12 0.00 -1.05 0.00 0.00 58.31 57.17 2yqg n LYS 67 Cb 0.45 -1.30 -0.08 0.00 -0.65 0.00 0.00 35.03 33.44 2yqg n LYS 67 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2yqg h ASP 68 N 0.00 0.02 0.24 -5.58 1.82 -1.95 -3.31 116.42 107.66 2yqg h ASP 68 Ca -0.33 -0.28 -0.14 0.00 -0.39 0.00 0.00 57.03 55.89 2yqg h ASP 68 Cb 1.60 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 41.58 2yqg h ASP 68 CO -0.03 0.29 -1.90 0.35 -1.61 0.00 0.00 179.24 176.35 2yqg n THR 69 N -4.94 0.72 -3.83 2.25 -2.24 -1.26 -5.02 114.28 99.96 2yqg n THR 69 Ca -0.08 -0.65 -0.36 0.00 -2.27 0.00 0.00 64.05 60.69 2yqg n THR 69 Cb 0.16 -0.33 0.03 0.00 -2.10 0.00 0.00 70.33 68.09 2yqg n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yqg n GLY 70 N 1.43 -0.97 2.76 3.38 0.00 -1.18 -4.98 105.19 105.62 2yqg n GLY 70 Ca -0.13 0.42 -0.17 0.00 0.00 0.00 0.00 46.02 46.15 2yqg n GLY 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yqg s GLU 71 N -6.37 -0.03 0.61 1.61 2.02 -1.26 -4.84 118.70 110.43 2yqg s GLU 71 Ca 0.42 0.30 -0.13 0.00 0.02 0.00 0.00 54.97 55.58 2yqg s GLU 71 Cb -0.19 -0.33 -0.04 0.00 0.10 0.00 0.00 34.13 33.68 2yqg s GLU 71 CO 0.91 -0.23 1.03 -1.17 0.02 0.00 0.00 175.26 175.82 2yqg s LEU 72 N 1.53 3.37 -0.27 1.80 2.96 -1.26 -4.33 118.68 122.48 2yqg s LEU 72 Ca -0.04 1.60 -0.13 0.00 -0.22 0.00 0.00 54.13 55.34 2yqg s LEU 72 Cb -0.12 -4.50 0.09 0.00 0.50 0.00 0.00 46.19 42.15 2yqg s LEU 72 CO -0.04 -1.01 0.63 0.20 -1.32 0.00 0.00 176.35 174.82 2yqg s ASN 73 N -3.49 -0.91 -0.10 3.68 -0.87 -0.53 -4.18 114.94 108.54 2yqg s ASN 73 Ca 0.59 1.43 -0.21 0.00 -1.57 0.00 0.00 52.86 53.10 2yqg s ASN 73 Cb -0.13 1.51 -0.04 0.00 -0.02 0.00 0.00 41.25 42.58 2yqg s ASN 73 CO 0.45 -0.23 0.60 0.54 -2.57 0.00 0.00 177.10 175.89 2yqg s VAL 74 N 1.93 5.10 -0.27 1.60 0.11 -1.26 -0.98 120.40 126.64 2yqg s VAL 74 Ca -0.09 1.23 0.14 0.00 -2.93 0.00 0.00 61.98 60.33 2yqg s VAL 74 Cb -0.07 -3.94 0.48 0.00 -1.53 0.00 0.00 36.38 31.31 2yqg s VAL 74 CO -0.19 0.27 1.16 0.35 -3.33 0.00 0.00 175.10 173.37 2yqg n THR 75 N 3.79 1.95 -3.96 5.04 -2.24 0.10 -3.92 114.28 115.04 2yqg n THR 75 Ca -0.04 -3.58 -0.11 0.00 -2.27 0.00 0.00 64.05 58.05 2yqg n THR 75 Cb 0.51 -0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 2yqg n THR 75 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2yqg s SER 76 N -3.63 0.38 -0.56 3.42 0.15 -1.26 -4.84 113.70 107.37 2yqg s SER 76 Ca 0.41 -1.24 -0.09 0.00 0.70 0.00 0.00 55.95 55.73 2yqg s SER 76 Cb 0.37 0.73 0.14 0.00 -1.71 0.00 0.00 66.02 65.56 2yqg s SER 76 CO -0.00 -1.44 0.43 -0.63 1.20 0.00 0.00 173.24 172.80 2yqg s ILE 77 N -2.91 4.35 0.90 6.45 1.09 -1.26 -3.76 121.20 126.04 2yqg s ILE 77 Ca 0.23 -2.12 -0.17 0.00 -1.10 0.00 0.00 60.65 57.49 2yqg s ILE 77 Cb -0.03 -3.82 -0.12 0.00 -1.06 0.00 0.00 42.46 37.43 2yqg s ILE 77 CO 0.15 -0.84 -0.49 0.18 -0.10 0.00 0.00 174.94 173.84 2yqg n LEU 78 N 4.48 -4.65 -3.58 2.97 4.77 -1.26 -4.73 117.00 115.00 2yqg n LEU 78 Ca -0.01 0.30 -0.07 0.00 -0.03 0.00 0.00 56.01 56.19 2yqg n LEU 78 Cb 0.41 -0.85 -0.08 0.00 -2.33 0.00 0.00 43.42 40.57 2yqg n LEU 78 CO 0.40 -5.43 0.04 -0.62 -1.33 0.00 0.00 177.39 170.45 2yqg s ASP 79 N -1.14 -0.30 0.06 -1.43 -1.08 -1.26 -3.44 116.67 108.08 2yqg s ASP 79 Ca 0.46 0.90 -0.23 0.00 -0.52 0.00 0.00 52.55 53.16 2yqg s ASP 79 Cb -0.25 1.43 -0.16 0.00 -1.46 0.00 0.00 42.92 42.49 2yqg s ASP 79 CO 0.77 -0.24 1.60 -0.09 0.52 0.00 0.00 175.17 177.73 2yqg h ARG 80 N 8.15 0.04 -0.39 4.34 2.43 -1.81 1.08 114.38 128.22 2yqg h ARG 80 Ca -0.17 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.05 2yqg h ARG 80 Cb 1.12 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.58 2yqg h ARG 80 CO 0.15 0.17 -0.52 0.93 -1.51 0.00 0.00 179.97 179.20 2yqg h GLU 81 N -0.11 -0.38 0.17 0.20 5.08 -1.96 -0.79 114.58 116.79 2yqg h GLU 81 Ca 0.01 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2yqg h GLU 81 Cb 0.15 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2yqg h GLU 81 CO -0.00 -0.25 -0.08 1.49 -1.00 0.00 0.00 179.01 179.17 2yqg h GLU 82 N -0.39 -0.21 -3.47 2.33 4.57 -1.99 -3.41 114.58 112.01 2yqg h GLU 82 Ca 0.09 0.01 -0.69 0.00 -1.18 0.00 0.00 59.36 57.59 2yqg h GLU 82 Cb 0.60 0.05 -0.36 0.00 -0.16 0.00 0.00 28.75 28.88 2yqg h GLU 82 CO -0.58 -0.12 -0.32 0.95 -1.18 0.00 0.00 179.01 177.77 2yqg s THR 83 N -2.31 3.80 -0.14 0.32 -4.23 0.37 -4.90 115.64 108.56 2yqg s THR 83 Ca -0.04 -3.28 0.30 0.00 -1.18 0.00 0.00 61.69 57.49 2yqg s THR 83 Cb 0.00 -3.45 0.33 0.00 1.34 0.00 0.00 72.50 70.73 2yqg s THR 83 CO 0.12 -0.94 1.88 1.55 -0.54 0.00 0.00 174.62 176.69 2yqg h PRO 84 N 6.66 0.00 -2.68 3.99 0.13 -1.18 -3.29 132.00 135.63 2yqg h PRO 84 Ca 0.04 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.23 2yqg h PRO 84 Cb 0.90 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.92 2yqg h PRO 84 CO 0.74 0.00 0.34 -0.59 -0.23 0.00 0.00 178.00 178.27 2yqg s PHE 85 N -3.53 -0.36 -0.16 1.56 -0.12 -1.26 -3.32 117.98 110.79 2yqg s PHE 85 Ca 0.02 0.12 -0.01 0.00 -0.05 0.00 0.00 56.93 57.02 2yqg s PHE 85 Cb 0.09 0.59 0.04 0.00 -0.63 0.00 0.00 43.02 43.11 2yqg s PHE 85 CO 0.47 -0.81 -0.02 -0.06 -0.05 0.00 0.00 175.22 174.75 2yqg s PHE 86 N -3.51 1.40 -0.68 3.49 0.40 -1.10 -5.02 117.98 112.96 2yqg s PHE 86 Ca 0.05 -0.91 -0.16 0.00 -0.60 0.00 0.00 56.93 55.31 2yqg s PHE 86 Cb -0.02 -1.18 0.15 0.00 0.51 0.00 0.00 43.02 42.49 2yqg s PHE 86 CO -0.06 -0.58 0.70 -0.51 0.70 0.00 0.00 175.22 175.47 2yqg s LEU 87 N 1.73 6.03 0.00 -0.37 1.43 -1.26 -2.70 118.68 123.54 2yqg s LEU 87 Ca 0.01 -2.00 0.05 0.00 -1.03 0.00 0.00 54.13 51.16 2yqg s LEU 87 Cb -0.15 -2.25 0.05 0.00 0.03 0.00 0.00 46.19 43.86 2yqg s LEU 87 CO -0.07 -0.86 0.39 0.18 0.23 0.00 0.00 176.35 176.21 2yqg n LEU 88 N 5.29 0.00 -3.63 1.79 4.77 -1.01 -3.33 117.00 120.88 2yqg n LEU 88 Ca -0.00 -2.26 -0.05 0.00 -0.03 0.00 0.00 56.01 53.67 2yqg n LEU 88 Cb 0.44 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.38 2yqg n LEU 88 CO 0.48 -0.55 0.40 -0.89 -1.33 0.00 0.00 177.39 175.50 2yqg s THR 89 N -2.15 -0.24 -0.39 -5.08 2.01 -1.22 -3.12 115.64 105.46 2yqg s THR 89 Ca 0.30 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 62.14 2yqg s THR 89 Cb -0.02 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.50 2yqg s THR 89 CO 0.19 0.00 0.36 -0.83 -0.69 0.00 0.00 174.62 173.65 2yqg s GLY 90 N 1.90 1.94 -0.29 4.40 0.00 -1.26 -3.80 107.32 110.20 2yqg s GLY 90 Ca -0.09 -1.50 -0.12 0.00 0.00 0.00 0.00 44.72 43.01 2yqg s GLY 90 CO -0.19 1.02 0.25 -0.19 0.00 0.00 0.00 173.10 174.00 2yqg s TYR 91 N 1.94 3.23 -1.07 1.90 1.51 -0.81 -3.54 117.35 120.51 2yqg s TYR 91 Ca 0.09 0.14 -0.10 0.00 -1.01 0.00 0.00 57.07 56.19 2yqg s TYR 91 Cb -0.18 -2.46 0.26 0.00 -0.11 0.00 0.00 41.96 39.48 2yqg s TYR 91 CO 0.12 -0.22 1.07 0.00 -1.11 0.00 0.00 175.55 175.40 2yqg s ALA 92 N 1.85 4.59 0.83 3.71 0.00 -1.26 -0.99 121.76 130.50 2yqg s ALA 92 Ca 0.09 -3.73 -0.12 0.00 0.00 0.00 0.00 51.96 48.20 2yqg s ALA 92 Cb -0.16 -3.59 0.09 0.00 0.00 0.00 0.00 23.12 19.46 2yqg s ALA 92 CO 0.11 -2.24 1.11 -0.51 0.00 0.00 0.00 175.76 174.22 2yqg s LEU 93 N -0.88 2.43 0.49 0.00 1.43 -0.37 -4.09 118.68 117.69 2yqg s LEU 93 Ca 0.29 1.21 0.07 0.00 -1.03 0.00 0.00 54.13 54.68 2yqg s LEU 93 Cb -0.10 -3.75 0.02 0.00 0.03 0.00 0.00 46.19 42.40 2yqg s LEU 93 CO -0.08 -2.14 0.47 -0.62 0.23 0.00 0.00 176.35 174.22 2yqg s ASP 94 N -3.93 4.96 0.39 2.29 2.15 -1.26 -1.13 116.67 120.14 2yqg s ASP 94 Ca 0.62 -0.91 0.20 0.00 0.43 0.00 0.00 52.55 52.88 2yqg s ASP 94 Cb -0.15 -0.09 1.16 0.00 -0.30 0.00 0.00 42.92 43.54 2yqg s ASP 94 CO 0.54 -0.93 1.72 0.00 -0.17 0.00 0.00 175.17 176.32 2yqg h ALA 95 N 0.76 2.27 0.11 3.66 0.00 -1.24 0.35 119.26 125.18 2yqg h ALA 95 Ca -0.38 0.10 -0.28 0.00 0.00 0.00 0.00 54.91 54.35 2yqg h ALA 95 Cb 1.28 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 2yqg h ALA 95 CO 0.54 -0.77 -1.32 0.00 0.00 0.00 0.00 179.25 177.70 2yqg h ARG 96 N 0.33 0.24 -0.42 0.00 2.47 -1.94 -3.49 114.38 111.57 2yqg h ARG 96 Ca 0.67 -0.41 0.00 0.00 -1.26 0.00 0.00 59.98 58.98 2yqg h ARG 96 Cb 1.75 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 30.22 2yqg h ARG 96 CO -0.38 1.15 0.00 0.41 0.56 0.00 0.00 179.97 181.71 2yqg n GLY 97 N 1.56 1.01 1.42 0.04 0.00 0.12 -4.99 105.19 104.35 2yqg n GLY 97 Ca -0.10 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 45.69 2yqg n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2yqg n ASN 98 N 0.75 4.18 -3.83 1.61 3.02 -1.26 -4.86 115.26 114.85 2yqg n ASN 98 Ca 0.00 -2.11 -0.25 0.00 -0.03 0.00 0.00 54.58 52.19 2yqg n ASN 98 Cb 0.24 -0.51 0.01 0.00 -0.61 0.00 0.00 39.78 38.91 2yqg n ASN 98 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2yqg n ASN 99 N 1.53 -1.78 -0.30 6.41 4.13 -1.26 -4.81 115.26 119.19 2yqg n ASN 99 Ca 0.25 -0.87 0.31 0.00 1.68 0.00 0.00 54.58 55.95 2yqg n ASN 99 Cb 0.69 -3.71 0.68 0.00 -1.54 0.00 0.00 39.78 35.91 2yqg n ASN 99 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 2yqg h VAL 100 N -1.89 0.46 -3.62 2.41 -1.51 -1.93 -3.39 116.25 106.79 2yqg h VAL 100 Ca -0.61 -0.04 -0.67 0.00 -1.23 0.00 0.00 66.70 64.15 2yqg h VAL 100 Cb 1.37 0.35 -0.17 0.00 -2.13 0.00 0.00 31.29 30.70 2yqg h VAL 100 CO 0.61 0.02 -0.71 -0.70 -1.23 0.00 0.00 177.57 175.56 2yqg s GLU 101 N -5.10 2.48 0.10 5.19 2.56 -1.26 -5.11 118.70 117.55 2yqg s GLU 101 Ca -0.06 -0.78 -0.22 0.00 0.00 0.00 0.00 54.97 53.92 2yqg s GLU 101 Cb 0.23 -2.46 -0.07 0.00 2.00 0.00 0.00 34.13 33.83 2yqg s GLU 101 CO 0.80 0.58 0.65 0.21 -0.56 0.00 0.00 175.26 176.94 2yqg s LYS 102 N -1.54 4.35 1.10 4.30 2.20 -1.26 -4.54 119.74 124.35 2yqg s LYS 102 Ca 0.18 0.89 -0.16 0.00 -0.36 0.00 0.00 55.97 56.52 2yqg s LYS 102 Cb -0.11 -3.26 0.24 0.00 -1.51 0.00 0.00 37.83 33.19 2yqg s LYS 102 CO 0.09 0.58 1.10 -1.25 -0.36 0.00 0.00 175.35 175.50 2yqg s PRO 103 N -0.99 -0.41 0.31 4.03 0.04 -1.26 -4.86 135.00 131.87 2yqg s PRO 103 Ca 0.32 0.22 0.01 0.00 0.04 0.00 0.00 61.00 61.60 2yqg s PRO 103 Cb -0.21 -1.66 0.01 0.00 0.04 0.00 0.00 34.50 32.68 2yqg s PRO 103 CO 0.21 -3.23 0.12 1.47 0.04 0.00 0.00 177.00 175.61 2yqg n LEU 104 N -4.47 0.00 -4.05 -3.56 -0.00 -1.23 -4.98 117.00 98.70 2yqg n LEU 104 Ca 0.09 -1.80 -0.33 0.00 -0.00 0.00 0.00 56.01 53.97 2yqg n LEU 104 Cb 0.58 0.09 -0.14 0.00 -0.00 0.00 0.00 43.42 43.96 2yqg n LEU 104 CO 0.52 -0.36 -0.25 -0.70 -0.00 0.00 0.00 177.39 176.60 2yqg s GLU 105 N -3.21 1.74 -0.39 1.47 2.12 -1.26 -4.17 118.70 114.99 2yqg s GLU 105 Ca 0.09 -1.94 -0.23 0.00 0.36 0.00 0.00 54.97 53.25 2yqg s GLU 105 Cb -0.01 -3.37 0.01 0.00 0.26 0.00 0.00 34.13 31.03 2yqg s GLU 105 CO 0.06 -1.01 0.76 -1.17 -0.54 0.00 0.00 175.26 173.36 2yqg s LEU 106 N 0.85 4.19 -0.60 2.70 2.96 -1.18 -5.00 118.68 122.59 2yqg s LEU 106 Ca 0.11 0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 54.17 2yqg s LEU 106 Cb -0.21 -2.97 0.16 0.00 0.50 0.00 0.00 46.19 43.67 2yqg s LEU 106 CO -0.06 -0.77 0.42 -0.60 -1.32 0.00 0.00 176.35 174.02 2yqg s ARG 107 N 3.10 2.52 -0.62 1.98 3.52 -1.26 -2.41 118.95 125.78 2yqg s ARG 107 Ca 0.30 -2.42 -0.27 0.00 -0.13 0.00 0.00 55.73 53.21 2yqg s ARG 107 Cb -0.13 -3.74 0.03 0.00 -1.56 0.00 0.00 34.95 29.56 2yqg s ARG 107 CO 0.18 -1.16 1.14 0.42 -0.81 0.00 0.00 175.30 175.07 2yqg s ILE 108 N 0.13 4.05 0.15 4.11 1.01 -1.10 -4.53 121.20 125.02 2yqg s ILE 108 Ca 0.16 0.58 -0.30 0.00 0.00 0.00 0.00 60.65 61.08 2yqg s ILE 108 Cb -0.20 -4.73 -0.07 0.00 0.01 0.00 0.00 42.46 37.47 2yqg s ILE 108 CO -0.04 -1.42 1.10 -0.75 0.00 0.00 0.00 174.94 173.84 2yqg s LYS 109 N 4.86 4.57 -0.37 2.79 2.20 -1.07 -2.71 119.74 130.02 2yqg s LYS 109 Ca 0.37 1.70 -0.13 0.00 -0.36 0.00 0.00 55.97 57.56 2yqg s LYS 109 Cb -0.09 -3.30 0.01 0.00 -1.51 0.00 0.00 37.83 32.94 2yqg s LYS 109 CO 0.21 0.03 0.24 0.08 -0.36 0.00 0.00 175.35 175.55 2yqg s VAL 110 N 0.01 5.02 1.02 4.02 1.01 -1.21 -3.81 120.40 126.47 2yqg s VAL 110 Ca 0.51 -0.55 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 2yqg s VAL 110 Cb -0.29 -3.71 0.21 0.00 0.00 0.00 0.00 36.38 32.59 2yqg s VAL 110 CO 0.34 -0.16 1.19 -0.76 0.00 0.00 0.00 175.10 175.71 2yqg s LEU 111 N 1.65 1.83 0.30 3.92 1.43 -1.05 -4.82 118.68 121.94 2yqg s LEU 111 Ca 0.05 0.62 -0.09 0.00 -1.03 0.00 0.00 54.13 53.67 2yqg s LEU 111 Cb -0.18 -2.67 -0.07 0.00 0.03 0.00 0.00 46.19 43.30 2yqg s LEU 111 CO 0.09 -3.11 0.63 -0.62 0.23 0.00 0.00 176.35 173.57 2yqg s ASP 112 N -4.28 6.58 0.21 2.29 -1.08 -1.26 -3.65 116.67 115.48 2yqg s ASP 112 Ca 0.69 0.97 -0.11 0.00 -0.52 0.00 0.00 52.55 53.59 2yqg s ASP 112 Cb -0.09 -2.25 0.29 0.00 -1.46 0.00 0.00 42.92 39.40 2yqg s ASP 112 CO 0.54 -0.19 1.68 -0.29 0.52 0.00 0.00 175.17 177.42 2yqg h ILE 113 N 1.64 0.54 -0.80 4.11 -0.00 -1.95 0.11 117.51 121.16 2yqg h ILE 113 Ca -0.47 -0.05 -0.54 0.00 -0.00 0.00 0.00 64.86 63.80 2yqg h ILE 113 Cb 1.18 0.38 -0.23 0.00 -0.00 0.00 0.00 36.82 38.14 2yqg h ILE 113 CO 0.67 0.03 0.69 0.59 -0.00 0.00 0.00 178.15 180.13 2yqg n ASN 114 N -5.23 7.12 -4.99 2.19 3.02 -1.26 -4.87 115.26 111.24 2yqg n ASN 114 Ca 0.09 -3.50 -0.19 0.00 -0.03 0.00 0.00 54.58 50.95 2yqg n ASN 114 Cb 0.34 -1.00 0.04 0.00 -0.61 0.00 0.00 39.78 38.54 2yqg n ASN 114 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2yqg s ASP 115 N -1.04 5.34 0.33 6.41 2.15 0.02 -5.14 116.67 124.75 2yqg s ASP 115 Ca 0.51 -0.52 0.05 0.00 0.43 0.00 0.00 52.55 53.02 2yqg s ASP 115 Cb 0.40 -0.31 -0.07 0.00 -0.30 0.00 0.00 42.92 42.65 2yqg s ASP 115 CO -0.01 -1.07 0.03 0.20 -0.17 0.00 0.00 175.17 174.16 2yqg s ASN 116 N -4.49 2.68 0.37 -0.34 0.01 -1.26 -4.97 114.94 106.93 2yqg s ASN 116 Ca 0.58 -1.35 -0.26 0.00 -0.71 0.00 0.00 52.86 51.12 2yqg s ASN 116 Cb -0.08 -0.15 -0.09 0.00 0.41 0.00 0.00 41.25 41.34 2yqg s ASN 116 CO 0.36 -0.54 1.15 -1.61 -1.51 0.00 0.00 177.10 174.95 2yqg s GLU 117 N -3.84 4.23 1.24 -0.60 2.02 -1.26 -5.04 118.70 115.46 2yqg s GLU 117 Ca 0.35 1.82 -0.21 0.00 0.02 0.00 0.00 54.97 56.95 2yqg s GLU 117 Cb 0.08 -2.81 0.31 0.00 0.10 0.00 0.00 34.13 31.81 2yqg s GLU 117 CO 0.15 -0.16 1.10 -0.35 0.02 0.00 0.00 175.26 176.02 2yqg n PRO 118 N 0.37 -3.17 -4.23 0.39 -0.04 -1.26 -5.07 135.00 121.99 2yqg n PRO 118 Ca 0.03 -1.76 -0.27 0.00 -0.04 0.00 0.00 63.50 61.45 2yqg n PRO 118 Cb 0.46 -1.65 -0.09 0.00 -0.04 0.00 0.00 33.50 32.18 2yqg n PRO 118 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2yqg s VAL 119 N -2.99 3.47 -0.92 0.52 1.01 -1.26 -5.06 120.40 115.17 2yqg s VAL 119 Ca 0.71 -1.45 -0.24 0.00 0.00 0.00 0.00 61.98 61.00 2yqg s VAL 119 Cb -0.07 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.63 2yqg s VAL 119 CO 0.55 -0.05 1.53 0.72 0.00 0.00 0.00 175.10 177.84 2yqg s PHE 120 N -1.59 2.31 -0.45 5.22 -0.71 -1.26 -4.92 117.98 116.58 2yqg s PHE 120 Ca 0.25 -0.34 0.04 0.00 -1.04 0.00 0.00 56.93 55.84 2yqg s PHE 120 Cb -0.10 -4.54 0.12 0.00 -1.21 0.00 0.00 43.02 37.30 2yqg s PHE 120 CO 0.16 -1.96 0.20 0.95 -1.34 0.00 0.00 175.22 173.23 2yqg s THR 121 N 6.25 2.28 -1.22 -4.49 -4.23 -1.26 -4.44 115.64 108.52 2yqg s THR 121 Ca 0.49 -2.89 -0.12 0.00 -1.18 0.00 0.00 61.69 57.99 2yqg s THR 121 Cb -0.03 -2.61 0.12 0.00 1.34 0.00 0.00 72.50 71.32 2yqg s THR 121 CO -0.02 -0.76 0.31 0.00 -0.54 0.00 0.00 174.62 173.62 2yqg n GLN 122 N 3.53 -0.84 0.00 3.99 -0.00 -1.26 -4.91 117.38 117.89 2yqg n GLN 122 Ca 0.05 0.09 0.00 0.00 -0.00 0.00 0.00 57.00 57.14 2yqg n GLN 122 Cb 0.35 -3.00 0.00 0.00 -0.00 0.00 0.00 30.24 27.59 2yqg n GLN 122 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59