#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 3.83 -0.30 1.61 0.15 -1.26 -4.99 113.70 112.75 2yqg s SER 2 Ca 0.00 -0.54 0.13 0.00 0.70 0.00 0.00 55.95 56.23 2yqg s SER 2 Cb 0.00 -1.63 0.47 0.00 -1.71 0.00 0.00 66.02 63.15 2yqg s SER 2 CO 0.00 -0.02 1.14 -1.54 1.20 0.00 0.00 173.24 174.01 2yqg n SER 3 N 4.71 3.58 0.00 5.45 3.41 -1.26 -4.73 113.62 124.78 2yqg n SER 3 Ca -0.19 -3.12 0.00 0.00 -0.26 0.00 0.00 58.87 55.30 2yqg n SER 3 Cb 0.50 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 2yqg n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yqg n GLY 4 N -0.60 3.26 0.25 5.00 0.00 -1.26 -5.01 105.19 106.83 2yqg n GLY 4 Ca 0.29 -0.34 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 2yqg n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2yqg h SER 5 N 0.00 -0.66 -0.81 1.61 0.02 -1.86 -3.42 113.55 108.42 2yqg h SER 5 Ca 0.00 0.18 0.19 0.00 -0.84 0.00 0.00 61.79 61.32 2yqg h SER 5 Cb 0.00 0.40 -0.24 0.00 0.14 0.00 0.00 62.40 62.69 2yqg h SER 5 CO 0.00 -0.22 0.26 -0.55 -1.14 0.00 0.00 176.83 175.17 2yqg s SER 6 N -5.20 -0.50 0.00 3.07 0.15 -1.26 -5.18 113.70 104.78 2yqg s SER 6 Ca -0.14 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.15 2yqg s SER 6 Cb 0.17 1.55 0.00 0.00 -1.71 0.00 0.00 66.02 66.04 2yqg s SER 6 CO 0.72 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.67 2yqg n GLY 7 N 4.96 2.39 0.11 9.45 0.00 -1.26 -5.06 105.19 115.78 2yqg n GLY 7 Ca -0.08 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 2yqg n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2yqg n GLN 8 N 0.00 0.69 -4.31 1.61 1.13 -1.26 -4.97 117.38 110.26 2yqg n GLN 8 Ca 0.00 0.18 -0.38 0.00 -1.94 0.00 0.00 57.00 54.86 2yqg n GLN 8 Cb 0.00 -1.64 -0.04 0.00 0.11 0.00 0.00 30.24 28.67 2yqg n GLN 8 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2yqg n LYS 9 N -3.16 -2.47 0.11 -1.09 4.76 -1.26 -4.85 118.16 110.21 2yqg n LYS 9 Ca -0.32 0.31 -0.12 0.00 -2.87 0.00 0.00 58.31 55.31 2yqg n LYS 9 Cb 1.06 -5.00 -0.08 0.00 -1.84 0.00 0.00 35.03 29.17 2yqg n LYS 9 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 2yqg h ARG 10 N -1.31 -0.31 -7.00 1.97 1.12 -2.03 -3.44 114.38 103.38 2yqg h ARG 10 Ca -0.59 0.02 -0.52 0.00 -1.11 0.00 0.00 59.98 57.78 2yqg h ARG 10 Cb 1.38 0.07 0.09 0.00 -0.01 0.00 0.00 29.97 31.50 2yqg h ARG 10 CO 0.81 0.05 0.55 0.00 -3.11 0.00 0.00 179.97 178.28 2yqg s ALA 11 N -4.34 3.02 -0.11 2.80 0.00 -1.26 -4.89 121.76 116.98 2yqg s ALA 11 Ca -0.13 1.12 0.01 0.00 0.00 0.00 0.00 51.96 52.95 2yqg s ALA 11 Cb 0.01 -3.46 0.14 0.00 0.00 0.00 0.00 23.12 19.81 2yqg s ALA 11 CO 0.51 -0.89 1.36 -2.67 0.00 0.00 0.00 175.76 174.08 2yqg n TRP 12 N -0.44 0.69 -0.74 0.00 4.27 -1.26 -4.94 117.44 115.03 2yqg n TRP 12 Ca 0.07 -0.93 -0.32 0.00 -3.89 0.00 0.00 57.50 52.43 2yqg n TRP 12 Cb 0.46 -0.47 0.15 0.00 -1.36 0.00 0.00 31.31 30.09 2yqg n TRP 12 CO 0.00 0.00 0.00 0.44 -2.29 0.00 0.00 177.69 175.84 2yqg n ILE 13 N 0.30 0.00 -4.41 -1.67 -0.00 -1.26 -5.03 119.36 107.28 2yqg n ILE 13 Ca 0.14 -0.20 -0.20 0.00 -0.00 0.00 0.00 62.75 62.48 2yqg n ILE 13 Cb 0.72 -0.69 -0.10 0.00 -0.00 0.00 0.00 39.64 39.57 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 -2.40 1.57 0.39 7.28 -4.23 -1.26 -5.15 115.64 111.84 2yqg s THR 14 Ca 0.59 -2.12 -0.15 0.00 -1.18 0.00 0.00 61.69 58.83 2yqg s THR 14 Cb -0.20 -2.40 -0.08 0.00 1.34 0.00 0.00 72.50 71.16 2yqg s THR 14 CO 0.66 -0.33 0.80 0.00 -0.54 0.00 0.00 174.62 175.22 2yqg s ALA 15 N -3.06 3.26 -0.43 3.99 0.00 -1.26 -4.99 121.76 119.27 2yqg s ALA 15 Ca 0.29 0.03 -0.28 0.00 0.00 0.00 0.00 51.96 52.00 2yqg s ALA 15 Cb 0.04 -2.84 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 2yqg s ALA 15 CO 0.11 0.13 1.75 -1.25 0.00 0.00 0.00 175.76 176.50 2yqg s PRO 16 N -3.41 3.16 -0.59 0.00 0.04 -1.26 -4.89 135.00 128.05 2yqg s PRO 16 Ca 0.55 1.09 -0.27 0.00 0.04 0.00 0.00 61.00 62.41 2yqg s PRO 16 Cb -0.10 -4.23 -0.02 0.00 0.04 0.00 0.00 34.50 30.20 2yqg s PRO 16 CO 0.23 -2.07 1.80 0.08 0.04 0.00 0.00 177.00 177.07 2yqg s VAL 17 N 7.31 3.41 -0.73 -0.36 1.01 -1.25 -4.93 120.40 124.85 2yqg s VAL 17 Ca 0.73 0.27 -0.15 0.00 0.00 0.00 0.00 61.98 62.84 2yqg s VAL 17 Cb -0.18 -3.99 0.19 0.00 0.00 0.00 0.00 36.38 32.40 2yqg s VAL 17 CO 0.29 -0.92 0.67 0.00 0.00 0.00 0.00 175.10 175.15 2yqg s ALA 18 N 8.50 3.93 0.48 5.51 0.00 -1.26 -2.95 121.76 135.97 2yqg s ALA 18 Ca 0.66 -3.06 0.00 0.00 0.00 0.00 0.00 51.96 49.56 2yqg s ALA 18 Cb -0.13 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.57 2yqg s ALA 18 CO 0.22 -2.19 0.70 -0.51 0.00 0.00 0.00 175.76 173.98 2yqg s LEU 19 N 0.64 3.54 0.11 0.00 1.43 -1.15 -4.91 118.68 118.34 2yqg s LEU 19 Ca 0.13 0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.51 2yqg s LEU 19 Cb -0.17 -3.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 2yqg s LEU 19 CO -0.05 -0.82 -0.01 -0.60 0.23 0.00 0.00 176.35 175.10 2yqg s ARG 20 N -4.62 2.49 -0.20 1.70 3.52 -1.26 -0.78 118.95 119.79 2yqg s ARG 20 Ca 0.51 -0.90 -0.08 0.00 -0.13 0.00 0.00 55.73 55.13 2yqg s ARG 20 Cb -0.10 -2.49 -0.04 0.00 -1.56 0.00 0.00 34.95 30.76 2yqg s ARG 20 CO 0.38 0.52 0.08 -1.83 -0.81 0.00 0.00 175.30 173.64 2yqg s GLU 21 N -2.43 3.91 0.00 5.12 4.04 -1.15 -4.64 118.70 123.55 2yqg s GLU 21 Ca 0.26 -0.37 0.00 0.00 0.04 0.00 0.00 54.97 54.90 2yqg s GLU 21 Cb -0.11 -3.28 0.00 0.00 0.02 0.00 0.00 34.13 30.76 2yqg s GLU 21 CO 0.18 0.14 0.00 0.41 -1.84 0.00 0.00 175.26 174.15 2yqg n GLY 22 N 3.96 0.00 4.02 -3.83 0.00 -1.26 -3.95 105.19 104.13 2yqg n GLY 22 Ca -0.16 0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2yqg n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yqg s GLU 23 N 0.00 2.64 -0.26 1.61 2.02 -1.26 -4.99 118.70 118.45 2yqg s GLU 23 Ca 0.00 -1.39 -0.29 0.00 0.02 0.00 0.00 54.97 53.31 2yqg s GLU 23 Cb 0.00 -2.71 0.01 0.00 0.10 0.00 0.00 34.13 31.53 2yqg s GLU 23 CO 0.00 -0.48 1.13 0.34 0.02 0.00 0.00 175.26 176.27 2yqg s ASP 24 N -4.46 6.95 -0.36 -0.19 -1.08 -1.26 -4.77 116.67 111.50 2yqg s ASP 24 Ca 0.57 1.29 -0.02 0.00 -0.52 0.00 0.00 52.55 53.86 2yqg s ASP 24 Cb -0.08 -2.54 0.12 0.00 -1.46 0.00 0.00 42.92 38.96 2yqg s ASP 24 CO 0.35 -0.82 2.43 0.18 0.52 0.00 0.00 175.17 177.83 2yqg n LEU 25 N 6.75 6.41 -0.03 -1.34 4.77 -1.26 -4.51 117.00 127.78 2yqg n LEU 25 Ca 0.13 -3.63 -0.13 0.00 -0.03 0.00 0.00 56.01 52.35 2yqg n LEU 25 Cb 0.46 -1.15 -0.08 0.00 -2.33 0.00 0.00 43.42 40.31 2yqg n LEU 25 CO 0.57 1.47 0.64 -1.28 -1.33 0.00 0.00 177.39 177.46 2yqg h SER 26 N 2.22 0.16 -0.16 -1.43 0.87 -1.91 -3.26 113.55 110.04 2yqg h SER 26 Ca 0.33 -0.46 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 2yqg h SER 26 Cb 0.86 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 2yqg h SER 26 CO 0.78 0.59 0.07 0.11 -0.53 0.00 0.00 176.83 177.85 2yqg h LYS 27 N -0.26 0.24 -0.96 2.24 1.79 -1.97 -2.93 116.57 114.73 2yqg h LYS 27 Ca 0.01 -0.04 0.29 0.00 -2.18 0.00 0.00 60.65 58.73 2yqg h LYS 27 Cb 0.54 -0.04 -0.18 0.00 -1.58 0.00 0.00 32.23 30.97 2yqg h LYS 27 CO 0.01 0.31 0.10 1.63 -1.08 0.00 0.00 179.45 180.42 2yqg n LYS 28 N -4.87 -0.07 -1.20 3.15 5.02 -1.23 -4.54 118.16 114.40 2yqg n LYS 28 Ca -0.04 1.41 -0.37 0.00 -2.02 0.00 0.00 58.31 57.29 2yqg n LYS 28 Cb 0.11 -2.29 0.03 0.00 -0.02 0.00 0.00 35.03 32.86 2yqg n LYS 28 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2yqg n ASN 29 N -5.38 -3.43 -4.77 4.39 3.02 -1.11 -4.56 115.26 103.43 2yqg n ASN 29 Ca 0.25 0.53 -0.38 0.00 -0.03 0.00 0.00 54.58 54.95 2yqg n ASN 29 Cb 0.82 -0.94 -0.01 0.00 -0.61 0.00 0.00 39.78 39.03 2yqg n ASN 29 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2yqg s PRO 30 N -1.77 3.94 0.03 3.52 0.04 -1.26 -5.08 135.00 134.43 2yqg s PRO 30 Ca 0.56 1.85 0.20 0.00 0.04 0.00 0.00 61.00 63.65 2yqg s PRO 30 Cb -0.38 -2.59 -0.18 0.00 0.04 0.00 0.00 34.50 31.38 2yqg s PRO 30 CO 0.67 -0.42 0.67 0.44 0.04 0.00 0.00 177.00 178.40 2yqg n ILE 31 N -0.11 0.64 -3.66 0.56 -5.35 -1.21 -4.97 119.36 105.25 2yqg n ILE 31 Ca 0.05 -0.61 -0.14 0.00 -0.27 0.00 0.00 62.75 61.78 2yqg n ILE 31 Cb 0.47 -0.33 -0.07 0.00 -1.74 0.00 0.00 39.64 37.96 2yqg n ILE 31 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2yqg s ALA 32 N -3.20 -1.13 -0.25 -1.28 0.00 -1.23 -4.91 121.76 109.76 2yqg s ALA 32 Ca -0.05 0.58 -0.15 0.00 0.00 0.00 0.00 51.96 52.34 2yqg s ALA 32 Cb 0.10 0.17 0.07 0.00 0.00 0.00 0.00 23.12 23.47 2yqg s ALA 32 CO 0.84 -0.37 0.63 -1.59 0.00 0.00 0.00 175.76 175.27 2yqg s LYS 33 N -1.76 0.64 -0.02 0.00 -2.85 -1.26 -3.22 119.74 111.27 2yqg s LYS 33 Ca -0.10 1.13 0.03 0.00 -1.00 0.00 0.00 55.97 56.03 2yqg s LYS 33 Cb -0.02 0.10 -0.00 0.00 -2.06 0.00 0.00 37.83 35.85 2yqg s LYS 33 CO 0.03 -0.15 -0.11 0.96 0.10 0.00 0.00 175.35 176.17 2yqg s ILE 34 N 1.57 0.94 -0.23 3.79 -4.36 -1.26 -5.10 121.20 116.55 2yqg s ILE 34 Ca -0.10 -0.47 -0.09 0.00 -0.26 0.00 0.00 60.65 59.73 2yqg s ILE 34 Cb -0.06 -0.81 0.10 0.00 1.25 0.00 0.00 42.46 42.94 2yqg s ILE 34 CO -0.18 0.28 0.51 -1.00 0.24 0.00 0.00 174.94 174.79 2yqg s HIS 35 N -0.03 -0.98 0.30 1.37 3.76 -1.26 -4.91 115.29 113.54 2yqg s HIS 35 Ca 0.00 1.81 -0.29 0.00 -0.15 0.00 0.00 55.06 56.43 2yqg s HIS 35 Cb -0.07 0.49 -0.10 0.00 1.11 0.00 0.00 32.58 34.00 2yqg s HIS 35 CO 0.00 -0.53 1.30 -1.54 -0.85 0.00 0.00 174.74 173.11 2yqg s SER 36 N 2.56 6.84 0.09 1.40 1.04 -1.26 -4.94 113.70 119.42 2yqg s SER 36 Ca -0.04 2.59 -0.25 0.00 0.48 0.00 0.00 55.95 58.74 2yqg s SER 36 Cb -0.11 -2.64 -0.13 0.00 0.10 0.00 0.00 66.02 63.24 2yqg s SER 36 CO -0.15 -0.50 1.71 0.44 0.98 0.00 0.00 173.24 175.71 2yqg h ASP 37 N 3.92 -0.21 -0.83 7.02 3.32 -2.01 -2.97 116.42 124.67 2yqg h ASP 37 Ca -0.48 0.02 0.13 0.00 0.02 0.00 0.00 57.03 56.72 2yqg h ASP 37 Cb 1.22 0.07 -0.14 0.00 0.22 0.00 0.00 39.33 40.70 2yqg h ASP 37 CO 0.69 -0.13 -0.38 -0.07 -1.72 0.00 0.00 179.24 177.63 2yqg h LEU 38 N -0.19 -1.35 -0.22 1.55 3.38 -1.97 0.32 115.31 116.83 2yqg h LEU 38 Ca 0.00 0.28 0.02 0.00 0.09 0.00 0.00 57.88 58.27 2yqg h LEU 38 Cb 0.18 0.69 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 2yqg h LEU 38 CO -0.01 -0.30 -0.13 0.00 0.09 0.00 0.00 178.44 178.09 2yqg n ALA 39 N -3.33 -0.14 0.04 1.53 0.00 -1.12 0.18 120.51 117.67 2yqg n ALA 39 Ca 0.07 0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.58 2yqg n ALA 39 Cb 0.38 0.21 -0.09 0.00 0.00 0.00 0.00 19.45 19.95 2yqg n ALA 39 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2yqg h GLU 40 N 0.00 -0.14 -0.27 0.00 4.11 -1.46 0.62 114.58 117.45 2yqg h GLU 40 Ca 0.04 0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.50 2yqg h GLU 40 Cb 0.09 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2yqg h GLU 40 CO -0.21 0.30 -0.16 0.39 0.07 0.00 0.00 179.01 179.40 2yqg n GLU 41 N -4.93 -0.12 -0.06 1.06 -0.58 0.11 -3.40 120.64 112.71 2yqg n GLU 41 Ca -0.09 1.14 -0.05 0.00 -0.42 0.00 0.00 57.16 57.74 2yqg n GLU 41 Cb 0.25 -1.69 -0.04 0.00 -0.57 0.00 0.00 31.44 29.40 2yqg n GLU 41 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yqg h ARG 42 N 0.00 0.00 0.00 3.49 2.47 -0.38 -3.50 114.38 116.46 2yqg h ARG 42 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2yqg h ARG 42 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 2yqg h ARG 42 CO -0.26 0.27 0.00 0.41 0.56 0.00 0.00 179.97 180.95 2yqg n GLY 43 N 1.71 0.95 3.95 0.04 0.00 0.21 -5.06 105.19 106.99 2yqg n GLY 43 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 4.27 -0.19 0.99 1.43 -0.52 -4.98 118.68 119.67 2yqg s LEU 44 Ca 0.00 0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 53.06 2yqg s LEU 44 Cb 0.00 -2.81 -0.05 0.00 0.03 0.00 0.00 46.19 43.36 2yqg s LEU 44 CO 0.00 -0.04 0.11 -1.59 0.23 0.00 0.00 176.35 175.06 2yqg s LYS 45 N -3.81 4.11 -0.05 1.70 -2.85 -1.26 -4.35 119.74 113.23 2yqg s LYS 45 Ca 0.34 -0.25 0.04 0.00 -1.00 0.00 0.00 55.97 55.10 2yqg s LYS 45 Cb -0.09 -3.36 -0.00 0.00 -2.06 0.00 0.00 37.83 32.32 2yqg s LYS 45 CO 0.28 0.31 -0.17 0.42 0.10 0.00 0.00 175.35 176.29 2yqg s ILE 46 N 0.32 1.47 -0.01 3.79 1.09 -1.26 -4.95 121.20 121.65 2yqg s ILE 46 Ca 0.07 -0.72 -0.22 0.00 -1.10 0.00 0.00 60.65 58.67 2yqg s ILE 46 Cb -0.11 -1.28 -0.05 0.00 -1.06 0.00 0.00 42.46 39.96 2yqg s ILE 46 CO -0.01 0.42 0.66 -0.89 -0.10 0.00 0.00 174.94 175.02 2yqg s THR 47 N 0.17 4.91 -0.18 2.92 2.01 -0.98 -4.94 115.64 119.54 2yqg s THR 47 Ca -0.07 1.38 -0.06 0.00 0.31 0.00 0.00 61.69 63.25 2yqg s THR 47 Cb -0.13 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 2yqg s THR 47 CO 0.03 0.36 0.01 -0.31 -0.69 0.00 0.00 174.62 174.02 2yqg s TYR 48 N 0.13 3.10 0.07 4.92 2.02 -1.26 -1.49 117.35 124.84 2yqg s TYR 48 Ca 0.34 -0.23 0.08 0.00 -0.37 0.00 0.00 57.07 56.89 2yqg s TYR 48 Cb -0.19 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.29 2yqg s TYR 48 CO 0.19 -0.06 -0.22 0.21 -1.57 0.00 0.00 175.55 174.10 2yqg s LYS 49 N 0.64 1.34 -0.08 -0.62 2.20 -1.25 -4.64 119.74 117.32 2yqg s LYS 49 Ca 0.00 -1.05 0.02 0.00 -0.36 0.00 0.00 55.97 54.59 2yqg s LYS 49 Cb -0.14 -1.53 0.01 0.00 -1.51 0.00 0.00 37.83 34.66 2yqg s LYS 49 CO 0.02 0.38 -0.15 0.71 -0.36 0.00 0.00 175.35 175.95 2yqg s TYR 50 N -0.92 1.76 -0.10 4.03 1.51 -1.26 -3.30 117.35 119.05 2yqg s TYR 50 Ca 0.08 -0.72 -0.01 0.00 -1.01 0.00 0.00 57.07 55.40 2yqg s TYR 50 Cb -0.09 -1.26 0.03 0.00 -0.11 0.00 0.00 41.96 40.53 2yqg s TYR 50 CO 0.03 -0.36 -0.00 0.95 -1.11 0.00 0.00 175.55 175.06 2yqg s THR 51 N 0.74 0.51 -0.87 -0.71 -4.23 -1.24 -4.85 115.64 104.99 2yqg s THR 51 Ca -0.12 -0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 2yqg s THR 51 Cb -0.16 -0.72 0.00 0.00 1.34 0.00 0.00 72.50 72.96 2yqg s THR 51 CO 0.03 0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 2yqg n GLY 52 N 5.09 -0.58 3.70 3.99 0.00 -1.26 -4.04 105.19 112.08 2yqg n GLY 52 Ca -0.08 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.35 4.48 0.00 1.61 2.20 -1.26 -2.64 119.74 123.79 2yqg s LYS 53 Ca 0.00 1.41 0.00 0.00 -0.36 0.00 0.00 55.97 57.02 2yqg s LYS 53 Cb 0.00 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 2yqg s LYS 53 CO 0.00 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.20 2yqg n GLY 54 N 3.02 2.88 0.13 5.54 0.00 -0.85 -4.85 105.19 111.06 2yqg n GLY 54 Ca 0.08 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 1.56 -0.10 -0.61 5.41 -1.24 -2.52 119.36 121.86 2yqg n ILE 55 Ca 0.00 -0.31 -0.21 0.00 1.00 0.00 0.00 62.75 63.24 2yqg n ILE 55 Cb 0.00 -1.87 -0.07 0.00 -0.71 0.00 0.00 39.64 36.99 2yqg n ILE 55 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2yqg n THR 56 N -4.11 1.22 -2.58 1.39 -2.24 -1.08 -4.72 114.28 102.16 2yqg n THR 56 Ca -0.42 -0.22 -0.30 0.00 -2.27 0.00 0.00 64.05 60.83 2yqg n THR 56 Cb 0.84 -1.85 -0.02 0.00 -2.10 0.00 0.00 70.33 67.21 2yqg n THR 56 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2yqg s GLU 57 N -2.44 3.70 0.54 -0.78 0.41 -1.09 -4.91 118.70 114.13 2yqg s GLU 57 Ca -0.29 0.49 -0.20 0.00 -0.41 0.00 0.00 54.97 54.56 2yqg s GLU 57 Cb 0.10 -2.31 -0.06 0.00 -1.78 0.00 0.00 34.13 30.08 2yqg s GLU 57 CO 0.37 -0.20 1.13 -1.25 -0.49 0.00 0.00 175.26 174.82 2yqg s PRO 58 N -4.35 3.37 0.46 0.39 0.04 -1.26 -2.01 135.00 131.64 2yqg s PRO 58 Ca 0.52 1.61 -0.23 0.00 0.04 0.00 0.00 61.00 62.94 2yqg s PRO 58 Cb -0.10 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 2yqg s PRO 58 CO 0.39 -0.84 1.17 -1.25 0.04 0.00 0.00 177.00 176.51 2yqg s PRO 59 N -3.28 3.78 0.35 0.56 0.04 -1.26 -4.56 135.00 130.63 2yqg s PRO 59 Ca 0.73 1.79 -0.10 0.00 0.04 0.00 0.00 61.00 63.45 2yqg s PRO 59 Cb -0.24 -2.43 -0.07 0.00 0.04 0.00 0.00 34.50 31.81 2yqg s PRO 59 CO 0.27 -0.54 0.70 -0.06 0.04 0.00 0.00 177.00 177.40 2yqg s PHE 60 N -1.53 3.45 -0.34 0.56 0.40 -1.26 -4.02 117.98 115.25 2yqg s PHE 60 Ca 0.63 0.96 -0.01 0.00 -0.60 0.00 0.00 56.93 57.92 2yqg s PHE 60 Cb -0.29 -2.36 -0.01 0.00 0.51 0.00 0.00 43.02 40.87 2yqg s PHE 60 CO 0.35 0.02 0.29 0.41 0.70 0.00 0.00 175.22 176.99 2yqg n GLY 61 N -0.97 0.24 0.65 4.36 0.00 -1.23 -5.01 105.19 103.24 2yqg n GLY 61 Ca 0.01 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.96 0.85 -5.23 -0.61 2.08 -1.05 -4.79 119.36 108.65 2yqg n ILE 62 Ca -0.06 -0.01 -0.31 0.00 0.56 0.00 0.00 62.75 62.92 2yqg n ILE 62 Cb 0.55 -1.73 -0.16 0.00 -0.75 0.00 0.00 39.64 37.55 2yqg n ILE 62 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 2yqg s PHE 63 N -2.26 2.42 0.10 1.39 0.08 -1.25 -1.42 117.98 117.05 2yqg s PHE 63 Ca -0.15 -0.48 0.09 0.00 0.12 0.00 0.00 56.93 56.51 2yqg s PHE 63 Cb 0.05 -1.55 -0.04 0.00 -0.57 0.00 0.00 43.02 40.91 2yqg s PHE 63 CO 0.19 -0.06 -0.18 0.14 -0.10 0.00 0.00 175.22 175.21 2yqg s VAL 64 N -0.49 2.84 0.31 -0.44 -7.23 -1.13 -4.71 120.40 109.55 2yqg s VAL 64 Ca 0.06 -1.44 -0.19 0.00 -1.81 0.00 0.00 61.98 58.60 2yqg s VAL 64 Cb -0.11 -2.28 0.05 0.00 0.56 0.00 0.00 36.38 34.59 2yqg s VAL 64 CO 0.01 0.14 0.81 0.72 -0.31 0.00 0.00 175.10 176.47 2yqg s PHE 65 N -1.10 0.01 0.22 2.82 -0.71 -1.26 -2.73 117.98 115.23 2yqg s PHE 65 Ca 0.17 -0.56 -0.04 0.00 -1.04 0.00 0.00 56.93 55.47 2yqg s PHE 65 Cb -0.11 0.77 0.01 0.00 -1.21 0.00 0.00 43.02 42.49 2yqg s PHE 65 CO 0.09 -1.34 0.36 0.09 -1.34 0.00 0.00 175.22 173.07 2yqg n ASN 66 N -1.05 -1.01 -0.04 1.98 3.02 -1.25 -5.03 115.26 111.88 2yqg n ASN 66 Ca -0.06 -2.11 -0.04 0.00 -0.03 0.00 0.00 54.58 52.34 2yqg n ASN 66 Cb 0.60 1.80 -0.07 0.00 -0.61 0.00 0.00 39.78 41.49 2yqg n ASN 66 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2yqg n LYS 67 N -0.35 2.45 -0.02 3.52 2.85 -1.26 -3.78 118.16 121.56 2yqg n LYS 67 Ca -0.01 -0.01 -0.15 0.00 -1.05 0.00 0.00 58.31 57.09 2yqg n LYS 67 Cb 0.36 -1.23 -0.11 0.00 -0.65 0.00 0.00 35.03 33.40 2yqg n LYS 67 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 2yqg h ASP 68 N 0.00 0.30 0.46 -5.58 2.03 -1.96 -3.34 116.42 108.32 2yqg h ASP 68 Ca -0.24 -0.74 -0.31 0.00 -0.73 0.00 0.00 57.03 55.01 2yqg h ASP 68 Cb 1.54 -0.09 0.01 0.00 -0.83 0.00 0.00 39.33 39.96 2yqg h ASP 68 CO 0.01 1.00 -1.40 0.71 -1.03 0.00 0.00 179.24 178.53 2yqg h THR 69 N -0.37 1.34 -5.07 1.15 1.35 -1.99 -3.49 112.91 105.82 2yqg h THR 69 Ca -0.03 -2.87 -0.01 0.00 -0.55 0.00 0.00 66.41 62.95 2yqg h THR 69 Cb 1.03 2.94 0.00 0.00 -1.73 0.00 0.00 68.15 70.40 2yqg h THR 69 CO 0.06 0.85 -0.02 0.61 -0.25 0.00 0.00 175.52 176.78 2yqg n GLY 70 N 1.63 -1.11 3.54 5.82 0.00 -1.25 -5.05 105.19 108.77 2yqg n GLY 70 Ca -0.13 0.39 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 2yqg n GLY 70 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2yqg s GLU 71 N -3.03 1.36 -0.06 1.61 -1.05 -1.26 -4.72 118.70 111.56 2yqg s GLU 71 Ca 0.01 -0.59 0.01 0.00 -0.15 0.00 0.00 54.97 54.25 2yqg s GLU 71 Cb -0.00 0.57 0.02 0.00 -0.44 0.00 0.00 34.13 34.28 2yqg s GLU 71 CO 0.65 -0.61 -0.06 -1.17 0.95 0.00 0.00 175.26 175.03 2yqg s LEU 72 N -2.78 1.31 -0.02 1.83 2.96 -1.20 -3.86 118.68 116.92 2yqg s LEU 72 Ca 0.04 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.79 2yqg s LEU 72 Cb -0.02 -0.55 0.02 0.00 0.50 0.00 0.00 46.19 46.15 2yqg s LEU 72 CO -0.07 -0.06 0.00 0.20 -1.32 0.00 0.00 176.35 175.10 2yqg s ASN 73 N 1.02 0.34 0.21 3.68 0.01 -1.11 -3.36 114.94 115.74 2yqg s ASN 73 Ca -0.09 -0.02 -0.30 0.00 -0.71 0.00 0.00 52.86 51.74 2yqg s ASN 73 Cb -0.14 -0.17 -0.09 0.00 0.41 0.00 0.00 41.25 41.26 2yqg s ASN 73 CO -0.00 -0.08 1.30 0.54 -1.51 0.00 0.00 177.10 177.34 2yqg s VAL 74 N 0.86 3.21 -0.25 1.60 0.11 -1.26 -2.86 120.40 121.81 2yqg s VAL 74 Ca -0.08 1.01 0.10 0.00 -2.93 0.00 0.00 61.98 60.08 2yqg s VAL 74 Cb -0.12 -3.65 0.45 0.00 -1.53 0.00 0.00 36.38 31.54 2yqg s VAL 74 CO -0.02 0.16 1.19 0.35 -3.33 0.00 0.00 175.10 173.46 2yqg n THR 75 N 2.49 2.20 -3.54 5.04 -2.24 -0.50 -4.70 114.28 113.02 2yqg n THR 75 Ca 0.05 -3.64 -0.09 0.00 -2.27 0.00 0.00 64.05 58.11 2yqg n THR 75 Cb 0.43 -0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 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 -3.42 -0.36 -0.32 3.42 0.15 -1.25 -4.86 113.70 107.06 2yqg s SER 76 Ca 0.44 0.19 -0.24 0.00 0.70 0.00 0.00 55.95 57.04 2yqg s SER 76 Cb 0.39 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 2yqg s SER 76 CO -0.01 -0.47 0.82 -0.63 1.20 0.00 0.00 173.24 174.14 2yqg s ILE 77 N -2.16 4.74 0.65 6.45 1.01 -1.26 -4.77 121.20 125.86 2yqg s ILE 77 Ca 0.02 1.16 -0.17 0.00 0.00 0.00 0.00 60.65 61.66 2yqg s ILE 77 Cb -0.01 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 2yqg s ILE 77 CO -0.04 -0.33 0.97 0.18 0.00 0.00 0.00 174.94 175.73 2yqg n LEU 78 N 6.34 3.75 -3.70 2.97 4.77 -1.26 -4.89 117.00 124.98 2yqg n LEU 78 Ca 0.04 0.75 -0.30 0.00 -0.03 0.00 0.00 56.01 56.48 2yqg n LEU 78 Cb 0.48 -1.40 -0.14 0.00 -2.33 0.00 0.00 43.42 40.03 2yqg n LEU 78 CO 0.52 -1.91 -0.31 -1.81 -1.33 0.00 0.00 177.39 172.55 2yqg s ASP 79 N -1.40 3.82 0.20 -1.43 1.11 -1.26 -4.02 116.67 113.69 2yqg s ASP 79 Ca 0.76 -1.92 -0.14 0.00 0.18 0.00 0.00 52.55 51.43 2yqg s ASP 79 Cb -0.39 -0.84 0.22 0.00 1.07 0.00 0.00 42.92 42.98 2yqg s ASP 79 CO 0.47 -0.37 1.63 -0.09 1.18 0.00 0.00 175.17 177.99 2yqg h ARG 80 N 7.67 -0.01 -0.11 8.23 2.43 -1.87 0.44 114.38 131.16 2yqg h ARG 80 Ca -0.09 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2yqg h ARG 80 Cb 0.99 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.50 2yqg h ARG 80 CO 0.45 -0.01 -0.38 0.93 -1.51 0.00 0.00 179.97 179.45 2yqg h GLU 81 N -0.01 -0.39 0.66 0.20 3.07 -1.96 -3.07 114.58 113.08 2yqg h GLU 81 Ca 0.29 0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.14 2yqg h GLU 81 Cb 0.45 0.09 0.01 0.00 -0.84 0.00 0.00 28.75 28.46 2yqg h GLU 81 CO -0.63 -0.26 -0.32 1.49 -1.40 0.00 0.00 179.01 177.89 2yqg h GLU 82 N -0.40 -0.85 -5.08 2.33 4.81 -1.84 -3.42 114.58 110.13 2yqg h GLU 82 Ca 0.02 0.06 -0.66 0.00 -0.13 0.00 0.00 59.36 58.65 2yqg h GLU 82 Cb 0.47 0.19 -0.31 0.00 0.63 0.00 0.00 28.75 29.74 2yqg h GLU 82 CO -0.31 -0.57 -0.79 0.95 -0.73 0.00 0.00 179.01 177.56 2yqg s THR 83 N -4.80 2.73 0.15 0.32 -4.23 0.15 -5.01 115.64 104.96 2yqg s THR 83 Ca -0.13 -0.72 -0.10 0.00 -1.18 0.00 0.00 61.69 59.56 2yqg s THR 83 Cb 0.01 -2.19 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 2yqg s THR 83 CO 0.39 0.49 1.49 1.55 -0.54 0.00 0.00 174.62 178.00 2yqg h PRO 84 N 7.81 0.90 -3.36 3.99 0.13 -1.75 -3.22 132.00 136.51 2yqg h PRO 84 Ca -0.40 -0.47 -0.06 0.00 -0.87 0.00 0.00 66.00 64.19 2yqg h PRO 84 Cb 1.16 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 2yqg h PRO 84 CO 0.61 1.12 0.09 -0.59 -0.23 0.00 0.00 178.00 179.00 2yqg s PHE 85 N -4.38 0.29 -0.47 1.56 -0.12 -1.26 -2.81 117.98 110.78 2yqg s PHE 85 Ca -0.11 -0.77 0.03 0.00 -0.05 0.00 0.00 56.93 56.04 2yqg s PHE 85 Cb 0.11 0.50 0.15 0.00 -0.63 0.00 0.00 43.02 43.15 2yqg s PHE 85 CO 0.88 -1.30 0.31 -0.06 -0.05 0.00 0.00 175.22 175.00 2yqg s PHE 86 N -3.15 1.82 -0.61 3.49 0.08 -0.92 -4.97 117.98 113.72 2yqg s PHE 86 Ca 0.19 -2.45 -0.28 0.00 0.12 0.00 0.00 56.93 54.51 2yqg s PHE 86 Cb -0.03 -1.60 0.02 0.00 -0.57 0.00 0.00 43.02 40.83 2yqg s PHE 86 CO 0.12 -0.76 1.38 -0.51 -0.10 0.00 0.00 175.22 175.34 2yqg s LEU 87 N 0.03 3.34 0.52 -0.37 1.43 -1.26 -2.61 118.68 119.76 2yqg s LEU 87 Ca 0.24 0.08 0.06 0.00 -1.03 0.00 0.00 54.13 53.47 2yqg s LEU 87 Cb -0.12 -2.91 0.03 0.00 0.03 0.00 0.00 46.19 43.22 2yqg s LEU 87 CO -0.09 -1.75 0.40 -0.76 0.23 0.00 0.00 176.35 174.38 2yqg s LEU 88 N 6.01 2.84 -0.14 1.79 1.43 -0.38 -4.34 118.68 125.89 2yqg s LEU 88 Ca 0.47 -1.15 -0.10 0.00 -1.03 0.00 0.00 54.13 52.33 2yqg s LEU 88 Cb -0.10 -1.34 0.04 0.00 0.03 0.00 0.00 46.19 44.83 2yqg s LEU 88 CO 0.22 -1.02 0.35 -0.89 0.23 0.00 0.00 176.35 175.25 2yqg s THR 89 N -2.72 -0.02 -0.14 5.49 2.01 -1.26 -3.22 115.64 115.79 2yqg s THR 89 Ca 0.38 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.43 2yqg s THR 89 Cb -0.02 -0.51 -0.01 0.00 0.01 0.00 0.00 72.50 71.97 2yqg s THR 89 CO 0.23 0.03 -0.11 -0.83 -0.69 0.00 0.00 174.62 173.24 2yqg s GLY 90 N 0.82 1.57 0.41 4.40 0.00 -1.25 -3.65 107.32 109.62 2yqg s GLY 90 Ca -0.05 -0.92 0.07 0.00 0.00 0.00 0.00 44.72 43.82 2yqg s GLY 90 CO -0.06 -0.09 0.13 -0.19 0.00 0.00 0.00 173.10 172.89 2yqg s TYR 91 N 0.50 2.58 -0.24 1.90 2.02 -1.21 -2.82 117.35 120.08 2yqg s TYR 91 Ca -0.08 -0.61 0.02 0.00 -0.37 0.00 0.00 57.07 56.04 2yqg s TYR 91 Cb -0.15 -1.91 0.05 0.00 -0.40 0.00 0.00 41.96 39.55 2yqg s TYR 91 CO 0.04 0.26 -0.11 0.00 -1.57 0.00 0.00 175.55 174.16 2yqg s ALA 92 N -2.63 2.44 -0.02 3.71 0.00 -1.26 -3.89 121.76 120.10 2yqg s ALA 92 Ca 0.39 -1.62 -0.16 0.00 0.00 0.00 0.00 51.96 50.58 2yqg s ALA 92 Cb 0.06 -1.50 -0.05 0.00 0.00 0.00 0.00 23.12 21.62 2yqg s ALA 92 CO 0.21 -1.07 0.43 -0.51 0.00 0.00 0.00 175.76 174.83 2yqg s LEU 93 N 1.17 4.43 0.00 0.00 1.43 -0.55 -2.65 118.68 122.51 2yqg s LEU 93 Ca -0.06 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 2yqg s LEU 93 Cb -0.19 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.40 2yqg s LEU 93 CO -0.06 0.24 0.00 -0.67 0.23 0.00 0.00 176.35 176.09 2yqg n ASP 94 N 2.27 0.00 0.01 2.29 2.03 -1.26 -2.33 116.55 119.56 2yqg n ASP 94 Ca -0.12 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.20 2yqg n ASP 94 Cb 0.52 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 2yqg n ASP 94 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2yqg n ALA 95 N -2.30 3.00 -0.24 -1.67 0.00 -1.26 -4.75 120.51 113.28 2yqg n ALA 95 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2yqg n ALA 95 Cb 0.00 0.01 0.14 0.00 0.00 0.00 0.00 19.45 19.60 2yqg n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yqg h ARG 96 N 0.00 1.08 0.00 0.00 3.08 -2.02 -3.46 114.38 113.05 2yqg h ARG 96 Ca 0.00 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2yqg h ARG 96 Cb 0.00 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.86 2yqg h ARG 96 CO 0.00 0.84 0.00 0.41 -1.07 0.00 0.00 179.97 180.15 2yqg n GLY 97 N -1.02 1.99 3.58 0.04 0.00 -1.26 -5.12 105.19 103.39 2yqg n GLY 97 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2yqg n GLY 97 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2yqg s ASN 98 N -2.00 5.56 -0.70 1.61 0.01 -1.26 -4.93 114.94 113.23 2yqg s ASN 98 Ca 0.00 -0.01 -0.26 0.00 -0.71 0.00 0.00 52.86 51.88 2yqg s ASN 98 Cb 0.00 -1.98 -0.14 0.00 0.41 0.00 0.00 41.25 39.55 2yqg s ASN 98 CO 0.00 0.08 2.48 -0.46 -1.51 0.00 0.00 177.10 177.70 2yqg n ASN 99 N 4.14 1.48 0.17 -1.22 6.94 -1.26 -4.40 115.26 121.12 2yqg n ASN 99 Ca -0.16 -0.44 0.13 0.00 -0.02 0.00 0.00 54.58 54.09 2yqg n ASN 99 Cb 0.52 -1.35 0.31 0.00 -2.36 0.00 0.00 39.78 36.89 2yqg n ASN 99 CO 0.00 0.00 0.00 -0.37 -1.03 0.00 0.00 177.26 175.86 2yqg h VAL 100 N 7.75 0.00 -3.71 3.53 -1.51 -1.90 -3.44 116.25 116.97 2yqg h VAL 100 Ca -0.14 -0.73 -0.54 0.00 -1.23 0.00 0.00 66.70 64.06 2yqg h VAL 100 Cb 1.24 1.72 -0.32 0.00 -2.13 0.00 0.00 31.29 31.80 2yqg h VAL 100 CO 1.23 0.00 -0.83 -1.61 -1.23 0.00 0.00 177.57 175.14 2yqg s GLU 101 N -3.19 1.73 0.42 5.19 0.41 -1.26 -5.09 118.70 116.91 2yqg s GLU 101 Ca 0.08 -0.53 -0.21 0.00 -0.41 0.00 0.00 54.97 53.91 2yqg s GLU 101 Cb 0.08 -1.47 -0.15 0.00 -1.78 0.00 0.00 34.13 30.81 2yqg s GLU 101 CO 0.62 0.16 0.09 0.36 -0.49 0.00 0.00 175.26 176.00 2yqg n LYS 102 N 3.39 0.03 -1.11 1.61 2.85 -1.26 -4.41 118.16 119.25 2yqg n LYS 102 Ca -0.20 0.01 -0.30 0.00 -1.05 0.00 0.00 58.31 56.78 2yqg n LYS 102 Cb 0.53 -1.03 0.22 0.00 -0.65 0.00 0.00 35.03 34.10 2yqg n LYS 102 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2yqg s PRO 103 N -1.04 -0.69 -0.19 -1.58 0.04 -1.26 -4.88 135.00 125.41 2yqg s PRO 103 Ca 0.59 0.13 -0.00 0.00 0.04 0.00 0.00 61.00 61.76 2yqg s PRO 103 Cb -0.62 -1.64 0.01 0.00 0.04 0.00 0.00 34.50 32.29 2yqg s PRO 103 CO 0.63 -3.39 -0.16 -0.51 0.04 0.00 0.00 177.00 173.61 2yqg s LEU 104 N -6.78 2.35 -1.20 -3.56 1.43 -1.13 -4.96 118.68 104.82 2yqg s LEU 104 Ca 0.69 -0.57 -0.22 0.00 -1.03 0.00 0.00 54.13 53.00 2yqg s LEU 104 Cb -0.13 -1.55 -0.07 0.00 0.03 0.00 0.00 46.19 44.47 2yqg s LEU 104 CO 0.57 -0.00 1.91 1.21 0.23 0.00 0.00 176.35 180.27 2yqg n GLU 105 N 4.63 1.78 -3.18 1.70 2.13 -1.26 -3.86 120.64 122.58 2yqg n GLU 105 Ca -0.20 -2.56 -0.42 0.00 0.66 0.00 0.00 57.16 54.64 2yqg n GLU 105 Cb 0.50 -3.71 -0.07 0.00 0.27 0.00 0.00 31.44 28.43 2yqg n GLU 105 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2yqg s LEU 106 N 10.30 4.38 -0.32 4.31 2.96 -1.20 -4.92 118.68 134.20 2yqg s LEU 106 Ca 0.67 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.53 2yqg s LEU 106 Cb -0.00 -2.66 0.08 0.00 0.50 0.00 0.00 46.19 44.11 2yqg s LEU 106 CO 0.13 -0.58 0.01 0.00 -1.32 0.00 0.00 176.35 174.59 2yqg s ARG 107 N 2.56 1.86 -1.12 1.98 1.70 -1.26 -1.25 118.95 123.42 2yqg s ARG 107 Ca 0.21 -1.65 -0.17 0.00 -0.47 0.00 0.00 55.73 53.65 2yqg s ARG 107 Cb -0.15 -3.15 0.13 0.00 -0.57 0.00 0.00 34.95 31.21 2yqg s ARG 107 CO 0.15 -0.81 1.39 0.42 -1.08 0.00 0.00 175.30 175.37 2yqg s ILE 108 N 1.02 4.67 0.09 4.99 1.01 -1.07 -3.89 121.20 128.02 2yqg s ILE 108 Ca 0.03 -2.00 -0.31 0.00 0.00 0.00 0.00 60.65 58.37 2yqg s ILE 108 Cb -0.20 -4.94 -0.08 0.00 0.01 0.00 0.00 42.46 37.26 2yqg s ILE 108 CO -0.06 -1.69 1.56 -0.75 0.00 0.00 0.00 174.94 174.00 2yqg s LYS 109 N 2.71 4.23 -0.56 2.79 2.20 -1.15 -2.16 119.74 127.80 2yqg s LYS 109 Ca 0.42 2.24 -0.24 0.00 -0.36 0.00 0.00 55.97 58.03 2yqg s LYS 109 Cb -0.02 -3.45 0.04 0.00 -1.51 0.00 0.00 37.83 32.90 2yqg s LYS 109 CO -0.03 -0.64 0.92 0.08 -0.36 0.00 0.00 175.35 175.33 2yqg s VAL 110 N 2.05 4.41 0.74 4.02 1.01 -1.12 -2.92 120.40 128.59 2yqg s VAL 110 Ca 0.70 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.74 2yqg s VAL 110 Cb -0.39 -4.54 0.04 0.00 0.00 0.00 0.00 36.38 31.50 2yqg s VAL 110 CO 0.31 -1.12 1.10 -0.76 0.00 0.00 0.00 175.10 174.63 2yqg s LEU 111 N 3.88 3.15 1.17 3.92 1.43 0.04 -4.86 118.68 127.41 2yqg s LEU 111 Ca 0.29 1.92 -0.13 0.00 -1.03 0.00 0.00 54.13 55.18 2yqg s LEU 111 Cb -0.13 -4.54 0.28 0.00 0.03 0.00 0.00 46.19 41.84 2yqg s LEU 111 CO 0.18 -1.97 1.03 -1.81 0.23 0.00 0.00 176.35 174.01 2yqg s ASP 112 N -3.05 0.98 0.06 2.29 1.11 -1.26 -2.93 116.67 113.86 2yqg s ASP 112 Ca 0.64 1.47 -0.19 0.00 0.18 0.00 0.00 52.55 54.65 2yqg s ASP 112 Cb -0.19 -2.26 -0.13 0.00 1.07 0.00 0.00 42.92 41.42 2yqg s ASP 112 CO 0.51 -4.20 1.37 -0.29 1.18 0.00 0.00 175.17 173.74 2yqg h ILE 113 N -2.62 1.33 -0.75 0.77 -0.00 -1.96 -3.14 117.51 111.15 2yqg h ILE 113 Ca -0.62 -1.34 -0.47 0.00 -0.00 0.00 0.00 64.86 62.43 2yqg h ILE 113 Cb 1.34 1.79 -0.22 0.00 -0.00 0.00 0.00 36.82 39.73 2yqg h ILE 113 CO 0.51 0.40 0.61 0.59 -0.00 0.00 0.00 178.15 180.26 2yqg n ASN 114 N -4.48 6.03 -4.31 2.19 3.02 -1.26 -4.86 115.26 111.60 2yqg n ASN 114 Ca -0.05 -3.37 -0.43 0.00 -0.03 0.00 0.00 54.58 50.70 2yqg n ASN 114 Cb 0.39 -0.94 -0.08 0.00 -0.61 0.00 0.00 39.78 38.55 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 -0.82 5.96 0.56 6.41 -1.08 -1.19 -5.07 116.67 121.45 2yqg s ASP 115 Ca 0.47 -1.60 -0.19 0.00 -0.52 0.00 0.00 52.55 50.71 2yqg s ASP 115 Cb 0.37 -2.12 -0.05 0.00 -1.46 0.00 0.00 42.92 39.67 2yqg s ASP 115 CO 0.02 -0.69 1.12 0.20 0.52 0.00 0.00 175.17 176.34 2yqg s ASN 116 N 2.79 5.66 -0.45 -0.34 0.01 -1.26 -4.88 114.94 116.47 2yqg s ASN 116 Ca 0.04 2.12 -0.04 0.00 -0.71 0.00 0.00 52.86 54.27 2yqg s ASN 116 Cb -0.26 -2.57 0.12 0.00 0.41 0.00 0.00 41.25 38.95 2yqg s ASN 116 CO 0.03 -1.26 0.26 -1.83 -1.51 0.00 0.00 177.10 172.80 2yqg s GLU 117 N -3.43 2.17 0.36 -0.60 4.04 -1.26 -5.09 118.70 114.89 2yqg s GLU 117 Ca 0.71 -1.90 -0.27 0.00 0.04 0.00 0.00 54.97 53.55 2yqg s GLU 117 Cb -0.23 -3.68 -0.09 0.00 0.02 0.00 0.00 34.13 30.16 2yqg s GLU 117 CO 0.29 -1.11 1.21 -1.25 -1.84 0.00 0.00 175.26 172.56 2yqg s PRO 118 N 1.03 4.25 -0.11 -4.83 0.04 -1.26 -5.02 135.00 129.11 2yqg s PRO 118 Ca 0.09 1.97 -0.17 0.00 0.04 0.00 0.00 61.00 62.93 2yqg s PRO 118 Cb -0.23 -2.90 -0.05 0.00 0.04 0.00 0.00 34.50 31.36 2yqg s PRO 118 CO -0.03 -0.19 0.43 0.14 0.04 0.00 0.00 177.00 177.39 2yqg s VAL 119 N -1.27 5.18 -0.30 -0.36 -7.23 -1.26 -5.05 120.40 110.12 2yqg s VAL 119 Ca 0.52 0.86 -0.16 0.00 -1.81 0.00 0.00 61.98 61.39 2yqg s VAL 119 Cb -0.34 -3.77 0.17 0.00 0.56 0.00 0.00 36.38 33.00 2yqg s VAL 119 CO 0.44 0.38 1.07 0.12 -0.31 0.00 0.00 175.10 176.80 2yqg s PHE 120 N 0.32 -0.49 -0.03 2.82 5.36 -1.26 -5.13 117.98 119.57 2yqg s PHE 120 Ca 0.24 0.87 -0.30 0.00 -0.96 0.00 0.00 56.93 56.78 2yqg s PHE 120 Cb -0.15 0.29 -0.06 0.00 -0.34 0.00 0.00 43.02 42.76 2yqg s PHE 120 CO 0.10 -0.24 1.63 0.99 -1.46 0.00 0.00 175.22 176.24 2yqg s THR 121 N 2.09 3.49 0.48 0.12 2.01 -1.26 -4.98 115.64 117.60 2yqg s THR 121 Ca -0.03 0.70 -0.21 0.00 0.31 0.00 0.00 61.69 62.45 2yqg s THR 121 Cb -0.04 -3.45 -0.07 0.00 0.01 0.00 0.00 72.50 68.94 2yqg s THR 121 CO -0.16 -0.05 1.10 -1.58 -0.69 0.00 0.00 174.62 173.24 2yqg s GLN 122 N 3.63 3.71 0.00 4.92 0.74 -1.26 -5.16 119.66 126.25 2yqg s GLN 122 Ca 0.73 1.58 0.30 0.00 0.05 0.00 0.00 55.36 58.01 2yqg s GLN 122 Cb -0.34 -2.23 1.39 0.00 1.10 0.00 0.00 33.01 32.93 2yqg s GLN 122 CO 0.30 -0.54 1.93 -0.40 -0.55 0.00 0.00 175.29 176.03