#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqg n SER 2 N 0.00 -5.21 -0.06 1.61 2.88 -1.26 -4.45 113.62 107.13 2yqg n SER 2 Ca 0.00 -0.48 -0.11 0.00 -1.33 0.00 0.00 58.87 56.95 2yqg n SER 2 Cb 0.00 -4.44 -0.05 0.00 -0.75 0.00 0.00 64.21 58.97 2yqg n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2yqg h SER 3 N -2.24 0.29 -4.71 -3.46 0.87 -2.00 -3.43 113.55 98.87 2yqg h SER 3 Ca -0.50 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 59.85 2yqg h SER 3 Cb 1.32 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2yqg h SER 3 CO 0.48 0.43 0.00 0.61 -0.53 0.00 0.00 176.83 177.82 2yqg n GLY 4 N -0.56 0.12 3.55 5.77 0.00 -1.26 -4.85 105.19 107.95 2yqg n GLY 4 Ca -0.04 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 2yqg n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yqg n SER 5 N -0.47 2.55 -3.50 1.61 7.64 -1.26 -4.87 113.62 115.33 2yqg n SER 5 Ca 0.00 -0.02 -0.09 0.00 1.01 0.00 0.00 58.87 59.77 2yqg n SER 5 Cb 0.00 -1.48 -0.02 0.00 -1.01 0.00 0.00 64.21 61.70 2yqg n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yqg s SER 6 N 9.59 -0.39 0.00 6.43 1.04 -1.26 -5.18 113.70 123.93 2yqg s SER 6 Ca 1.04 0.02 0.00 0.00 0.48 0.00 0.00 55.95 57.48 2yqg s SER 6 Cb -0.42 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.10 2yqg s SER 6 CO 0.35 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2yqg n GLY 7 N -0.22 3.83 3.17 7.32 0.00 -1.26 -5.07 105.19 112.95 2yqg n GLY 7 Ca -0.10 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.58 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 4.59 2.95 -1.12 1.61 1.11 -1.26 -4.99 119.66 122.55 2yqg s GLN 8 Ca 0.00 -2.57 -0.08 0.00 0.01 0.00 0.00 55.36 52.72 2yqg s GLN 8 Cb 0.00 -3.97 0.28 0.00 -1.01 0.00 0.00 33.01 28.31 2yqg s GLN 8 CO 0.00 -1.22 1.20 1.63 0.01 0.00 0.00 175.29 176.92 2yqg n LYS 9 N 3.55 3.72 -3.74 2.91 4.76 -1.26 -4.65 118.16 123.46 2yqg n LYS 9 Ca 0.11 -4.45 -0.25 0.00 -2.87 0.00 0.00 58.31 50.85 2yqg n LYS 9 Cb 0.41 -2.56 0.04 0.00 -1.84 0.00 0.00 35.03 31.08 2yqg n LYS 9 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2yqg n ARG 10 N 2.52 -5.84 -4.28 1.97 3.00 -1.26 -1.96 116.66 110.81 2yqg n ARG 10 Ca 0.25 0.67 -0.34 0.00 -0.01 0.00 0.00 57.85 58.42 2yqg n ARG 10 Cb 0.38 -5.49 -0.09 0.00 0.00 0.00 0.00 32.46 27.27 2yqg n ARG 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2yqg n ALA 11 N -4.54 -1.59 -2.86 7.54 0.00 -1.26 -4.84 120.51 112.96 2yqg n ALA 11 Ca -0.12 -0.31 -0.26 0.00 0.00 0.00 0.00 53.44 52.75 2yqg n ALA 11 Cb 0.60 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 2yqg n ALA 11 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 2yqg n TRP 12 N -4.14 3.71 -4.27 0.00 -0.00 -0.83 -4.90 117.44 107.01 2yqg n TRP 12 Ca -0.12 -3.80 -0.23 0.00 -0.00 0.00 0.00 57.50 53.35 2yqg n TRP 12 Cb 0.56 -0.41 -0.12 0.00 -0.00 0.00 0.00 31.31 31.34 2yqg n TRP 12 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 177.69 178.65 2yqg s ILE 13 N -4.57 1.62 0.35 5.87 -4.36 -1.26 -4.93 121.20 113.92 2yqg s ILE 13 Ca 0.48 -1.57 -0.02 0.00 -0.26 0.00 0.00 60.65 59.28 2yqg s ILE 13 Cb 0.31 -1.52 0.00 0.00 1.25 0.00 0.00 42.46 42.50 2yqg s ILE 13 CO -0.14 -0.13 0.48 0.42 0.24 0.00 0.00 174.94 175.80 2yqg s THR 14 N -1.34 0.00 0.19 8.37 -4.23 -1.26 -5.09 115.64 112.28 2yqg s THR 14 Ca 0.07 -1.60 0.10 0.00 -1.18 0.00 0.00 61.69 59.07 2yqg s THR 14 Cb -0.09 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 2yqg s THR 14 CO 0.04 0.00 -0.20 0.00 -0.54 0.00 0.00 174.62 173.92 2yqg s ALA 15 N -3.02 2.26 -0.49 3.99 0.00 -1.26 -4.82 121.76 118.42 2yqg s ALA 15 Ca 0.31 -1.58 -0.27 0.00 0.00 0.00 0.00 51.96 50.41 2yqg s ALA 15 Cb -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 2yqg s ALA 15 CO 0.21 0.30 1.79 -1.25 0.00 0.00 0.00 175.76 176.81 2yqg s PRO 16 N -2.84 2.98 -0.55 0.00 0.04 -1.26 -4.93 135.00 128.45 2yqg s PRO 16 Ca 0.19 0.93 -0.27 0.00 0.04 0.00 0.00 61.00 61.89 2yqg s PRO 16 Cb -0.06 -4.28 -0.03 0.00 0.04 0.00 0.00 34.50 30.17 2yqg s PRO 16 CO 0.08 -2.29 1.96 0.08 0.04 0.00 0.00 177.00 176.88 2yqg s VAL 17 N 7.89 3.30 -0.47 -0.36 1.01 -1.26 -4.82 120.40 125.69 2yqg s VAL 17 Ca 0.71 0.20 -0.21 0.00 0.00 0.00 0.00 61.98 62.68 2yqg s VAL 17 Cb -0.16 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.54 2yqg s VAL 17 CO 0.27 -0.67 0.68 0.00 0.00 0.00 0.00 175.10 175.38 2yqg s ALA 18 N 9.42 3.33 0.28 5.51 0.00 -1.26 -2.40 121.76 136.64 2yqg s ALA 18 Ca 0.75 -1.33 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 2yqg s ALA 18 Cb -0.15 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 2yqg s ALA 18 CO 0.23 -1.91 0.49 -0.51 0.00 0.00 0.00 175.76 174.06 2yqg s LEU 19 N 2.93 4.10 -0.40 0.00 1.43 0.18 -4.89 118.68 122.02 2yqg s LEU 19 Ca 0.22 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.83 2yqg s LEU 19 Cb -0.15 -3.31 0.12 0.00 0.03 0.00 0.00 46.19 42.88 2yqg s LEU 19 CO 0.18 -0.18 0.17 -0.60 0.23 0.00 0.00 176.35 176.14 2yqg s ARG 20 N -3.78 1.32 0.17 1.70 3.52 -1.26 0.56 118.95 121.17 2yqg s ARG 20 Ca 0.40 -1.86 -0.18 0.00 -0.13 0.00 0.00 55.73 53.96 2yqg s ARG 20 Cb -0.10 -2.63 -0.11 0.00 -1.56 0.00 0.00 34.95 30.54 2yqg s ARG 20 CO 0.32 -1.06 0.29 -0.85 -0.81 0.00 0.00 175.30 173.18 2yqg n GLU 21 N 3.94 0.00 0.00 5.12 0.28 -1.20 -4.87 120.64 123.91 2yqg n GLU 21 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 2yqg n GLU 21 Cb 0.37 -0.69 0.00 0.00 1.43 0.00 0.00 31.44 32.56 2yqg n GLU 21 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2yqg n GLY 22 N 1.43 4.24 2.90 -1.84 0.00 -1.26 -4.37 105.19 106.27 2yqg n GLY 22 Ca 0.11 -1.04 -0.19 0.00 0.00 0.00 0.00 46.02 44.90 2yqg n GLY 22 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yqg n GLU 23 N -0.46 -4.59 -1.80 1.61 1.02 -1.26 -2.42 120.64 112.75 2yqg n GLU 23 Ca 0.00 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 2yqg n GLU 23 Cb 0.00 -5.37 0.00 0.00 -0.02 0.00 0.00 31.44 26.05 2yqg n GLU 23 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2yqg n ASP 24 N -1.96 -0.55 -3.68 1.62 2.03 -1.26 -1.28 116.55 111.47 2yqg n ASP 24 Ca -0.08 0.28 -0.29 0.00 0.52 0.00 0.00 54.79 55.21 2yqg n ASP 24 Cb 0.60 -0.75 -0.06 0.00 -0.72 0.00 0.00 41.12 40.18 2yqg n ASP 24 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2yqg n LEU 25 N -1.78 -0.60 -0.08 -2.67 4.77 -1.01 -4.57 117.00 111.05 2yqg n LEU 25 Ca 0.00 -0.89 -0.12 0.00 -0.03 0.00 0.00 56.01 54.97 2yqg n LEU 25 Cb 0.28 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 2yqg n LEU 25 CO 0.00 0.10 0.52 0.77 -1.33 0.00 0.00 177.39 177.45 2yqg h SER 26 N -0.66 0.89 -0.65 -1.43 4.64 -1.48 -3.00 113.55 111.85 2yqg h SER 26 Ca -0.43 -0.43 -0.36 0.00 -0.47 0.00 0.00 61.79 60.10 2yqg h SER 26 Cb 0.99 -0.25 -0.20 0.00 -0.31 0.00 0.00 62.40 62.63 2yqg h SER 26 CO 0.62 1.20 0.46 0.29 -0.87 0.00 0.00 176.83 178.54 2yqg n LYS 27 N -4.03 1.88 -0.01 4.77 5.02 -1.26 -4.01 118.16 120.52 2yqg n LYS 27 Ca -0.03 -1.99 -0.01 0.00 -2.02 0.00 0.00 58.31 54.26 2yqg n LYS 27 Cb 0.57 -1.78 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 2yqg n LYS 27 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2yqg n LYS 28 N -0.45 0.09 -1.74 1.97 4.76 -1.13 -5.05 118.16 116.60 2yqg n LYS 28 Ca 0.39 0.01 -0.38 0.00 -2.87 0.00 0.00 58.31 55.47 2yqg n LYS 28 Cb 1.11 -1.03 0.06 0.00 -1.84 0.00 0.00 35.03 33.33 2yqg n LYS 28 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2yqg n ASN 29 N -2.54 2.34 -4.77 4.39 0.23 -1.24 -4.17 115.26 109.50 2yqg n ASN 29 Ca -0.03 0.88 -0.40 0.00 -0.53 0.00 0.00 54.58 54.50 2yqg n ASN 29 Cb 0.53 -1.57 -0.03 0.00 -2.08 0.00 0.00 39.78 36.63 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 -3.21 4.40 -0.13 -0.53 0.04 -1.26 -5.09 135.00 129.22 2yqg s PRO 30 Ca 0.79 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.75 2yqg s PRO 30 Cb -0.39 -3.05 -0.25 0.00 0.04 0.00 0.00 34.50 30.84 2yqg s PRO 30 CO 0.43 -0.08 0.39 -0.84 0.04 0.00 0.00 177.00 176.94 2yqg h ILE 31 N 2.95 0.76 -3.81 0.56 3.07 -1.68 -3.47 117.51 115.89 2yqg h ILE 31 Ca -0.48 -2.33 -0.68 0.00 1.55 0.00 0.00 64.86 62.91 2yqg h ILE 31 Cb 1.22 2.50 -0.20 0.00 -0.27 0.00 0.00 36.82 40.07 2yqg h ILE 31 CO 0.65 0.76 -0.74 0.00 -1.05 0.00 0.00 178.15 177.78 2yqg s ALA 32 N -2.51 2.83 -0.13 0.16 0.00 -1.24 -4.98 121.76 115.89 2yqg s ALA 32 Ca -0.23 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 50.67 2yqg s ALA 32 Cb 0.06 -1.03 0.06 0.00 0.00 0.00 0.00 23.12 22.21 2yqg s ALA 32 CO 0.74 0.58 0.29 0.15 0.00 0.00 0.00 175.76 177.52 2yqg s LYS 33 N -1.10 0.20 -0.00 0.00 -0.14 -1.26 -4.14 119.74 113.30 2yqg s LYS 33 Ca 0.14 0.73 0.02 0.00 -1.36 0.00 0.00 55.97 55.50 2yqg s LYS 33 Cb -0.11 -0.02 -0.01 0.00 -1.68 0.00 0.00 37.83 36.02 2yqg s LYS 33 CO 0.04 -0.24 -0.08 0.96 -0.76 0.00 0.00 175.35 175.27 2yqg s ILE 34 N 2.04 0.63 0.01 2.17 -4.36 -1.26 -5.08 121.20 115.34 2yqg s ILE 34 Ca -0.03 -0.40 0.03 0.00 -0.26 0.00 0.00 60.65 59.99 2yqg s ILE 34 Cb -0.11 -0.54 -0.01 0.00 1.25 0.00 0.00 42.46 43.05 2yqg s ILE 34 CO -0.09 0.13 -0.10 -1.38 0.24 0.00 0.00 174.94 173.74 2yqg s HIS 35 N -0.28 0.88 0.19 1.37 -3.43 -1.26 -5.12 115.29 107.63 2yqg s HIS 35 Ca 0.02 -0.23 0.05 0.00 -0.80 0.00 0.00 55.06 54.11 2yqg s HIS 35 Cb -0.04 -0.55 -0.04 0.00 -1.43 0.00 0.00 32.58 30.53 2yqg s HIS 35 CO -0.00 -0.01 0.16 -1.54 -2.00 0.00 0.00 174.74 171.35 2yqg s SER 36 N -0.55 5.57 -0.16 7.38 1.04 -1.26 -5.00 113.70 120.72 2yqg s SER 36 Ca 0.02 -0.14 -0.23 0.00 0.48 0.00 0.00 55.95 56.08 2yqg s SER 36 Cb -0.05 -1.46 -0.23 0.00 0.10 0.00 0.00 66.02 64.38 2yqg s SER 36 CO 0.00 0.04 0.48 0.44 0.98 0.00 0.00 173.24 175.18 2yqg h ASP 37 N 2.14 0.09 -0.96 7.02 5.19 -1.91 -3.34 116.42 124.65 2yqg h ASP 37 Ca -0.48 -0.75 0.27 0.00 -0.62 0.00 0.00 57.03 55.45 2yqg h ASP 37 Cb 1.21 -0.03 -0.05 0.00 0.18 0.00 0.00 39.33 40.64 2yqg h ASP 37 CO 0.63 1.36 0.68 -0.07 -3.12 0.00 0.00 179.24 178.72 2yqg h LEU 38 N -0.83 0.08 -0.91 1.55 3.38 -1.98 -0.21 115.31 116.38 2yqg h LEU 38 Ca -0.23 0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.00 2yqg h LEU 38 Cb 1.32 -0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.93 2yqg h LEU 38 CO -0.08 0.02 0.38 0.00 0.09 0.00 0.00 178.44 178.86 2yqg h ALA 39 N 1.54 1.48 0.00 1.53 0.00 -1.82 -0.32 119.26 121.68 2yqg h ALA 39 Ca 0.47 0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.47 2yqg h ALA 39 Cb 1.74 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 2yqg h ALA 39 CO -0.05 -0.41 -0.87 0.39 0.00 0.00 0.00 179.25 178.32 2yqg n GLU 40 N -5.09 0.50 -0.32 0.00 4.71 -0.13 -1.48 120.64 118.83 2yqg n GLU 40 Ca 0.24 0.52 0.06 0.00 -0.01 0.00 0.00 57.16 57.96 2yqg n GLU 40 Cb 0.72 -1.69 0.14 0.00 -1.01 0.00 0.00 31.44 29.59 2yqg n GLU 40 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2yqg n GLU 41 N -4.53 -0.08 -0.10 3.49 1.02 -0.94 -2.89 120.64 116.61 2yqg n GLU 41 Ca -0.18 1.37 -0.13 0.00 -0.02 0.00 0.00 57.16 58.20 2yqg n GLU 41 Cb 0.44 -2.05 -0.05 0.00 -0.02 0.00 0.00 31.44 29.76 2yqg n GLU 41 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2yqg n ARG 42 N -5.42 0.53 0.00 3.49 5.12 -0.14 -5.06 116.66 115.18 2yqg n ARG 42 Ca 0.15 0.32 0.00 0.00 -1.93 0.00 0.00 57.85 56.38 2yqg n ARG 42 Cb 0.46 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 30.24 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 1.45 0.98 3.85 -0.13 0.00 -0.55 -5.06 105.19 105.72 2yqg n GLY 43 Ca -0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 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 3.94 -0.89 0.99 1.43 -0.95 -5.00 118.68 118.19 2yqg s LEU 44 Ca 0.00 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2yqg s LEU 44 Cb 0.00 -2.50 0.31 0.00 0.03 0.00 0.00 46.19 44.02 2yqg s LEU 44 CO 0.00 0.00 2.05 2.29 0.23 0.00 0.00 176.35 180.92 2yqg n LYS 45 N -0.86 3.64 -1.04 1.70 2.85 -1.26 -4.61 118.16 118.58 2yqg n LYS 45 Ca -0.08 -3.78 -0.35 0.00 -1.05 0.00 0.00 58.31 53.05 2yqg n LYS 45 Cb 0.56 -2.34 -0.02 0.00 -0.65 0.00 0.00 35.03 32.59 2yqg n LYS 45 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2yqg n ILE 46 N -0.17 1.23 -4.36 0.58 -0.00 -1.26 -4.87 119.36 110.51 2yqg n ILE 46 Ca 0.52 -0.38 -0.34 0.00 -0.00 0.00 0.00 62.75 62.55 2yqg n ILE 46 Cb 0.27 0.00 -0.09 0.00 -0.00 0.00 0.00 39.64 39.81 2yqg n ILE 46 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 2yqg s THR 47 N -0.90 4.22 -0.14 1.39 2.01 -0.51 -5.00 115.64 116.71 2yqg s THR 47 Ca 0.47 -0.39 -0.07 0.00 0.31 0.00 0.00 61.69 62.01 2yqg s THR 47 Cb -0.64 -2.81 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 2yqg s THR 47 CO 0.44 0.52 0.10 -0.31 -0.69 0.00 0.00 174.62 174.68 2yqg s TYR 48 N -0.96 3.44 0.02 4.92 2.02 -1.26 -2.14 117.35 123.39 2yqg s TYR 48 Ca 0.16 0.37 0.03 0.00 -0.37 0.00 0.00 57.07 57.25 2yqg s TYR 48 Cb -0.11 -1.97 -0.01 0.00 -0.40 0.00 0.00 41.96 39.46 2yqg s TYR 48 CO 0.05 0.53 -0.08 0.21 -1.57 0.00 0.00 175.55 174.69 2yqg s LYS 49 N -0.55 0.59 -0.02 -0.62 2.20 -1.22 -4.81 119.74 115.31 2yqg s LYS 49 Ca 0.12 -0.46 0.02 0.00 -0.36 0.00 0.00 55.97 55.29 2yqg s LYS 49 Cb -0.12 -0.52 0.00 0.00 -1.51 0.00 0.00 37.83 35.69 2yqg s LYS 49 CO 0.02 0.13 -0.09 0.71 -0.36 0.00 0.00 175.35 175.76 2yqg s TYR 50 N -0.61 0.88 -0.15 4.03 2.02 -1.26 -1.81 117.35 120.45 2yqg s TYR 50 Ca -0.01 -0.21 -0.08 0.00 -0.37 0.00 0.00 57.07 56.40 2yqg s TYR 50 Cb -0.05 -0.63 0.06 0.00 -0.40 0.00 0.00 41.96 40.94 2yqg s TYR 50 CO 0.00 -0.08 0.36 0.95 -1.57 0.00 0.00 175.55 175.21 2yqg s THR 51 N 0.14 -0.11 -3.44 -0.71 -4.23 -1.26 -4.93 115.64 101.10 2yqg s THR 51 Ca -0.02 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 2yqg s THR 51 Cb -0.08 -0.55 0.00 0.00 1.34 0.00 0.00 72.50 73.22 2yqg s THR 51 CO 0.00 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 2yqg n GLY 52 N 4.42 -0.70 3.68 3.99 0.00 -1.26 -3.87 105.19 111.44 2yqg n GLY 52 Ca -0.22 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.38 4.18 0.00 1.61 2.20 -1.18 -2.13 119.74 123.04 2yqg s LYS 53 Ca 0.00 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.99 2yqg s LYS 53 Cb 0.00 -3.75 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 2yqg s LYS 53 CO 0.00 -0.80 0.00 0.41 -0.36 0.00 0.00 175.35 174.60 2yqg n GLY 54 N 4.13 1.80 0.37 5.54 0.00 -1.02 -4.59 105.19 111.42 2yqg n GLY 54 Ca 0.17 -0.42 -0.05 0.00 0.00 0.00 0.00 46.02 45.72 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 1.19 -0.02 -0.61 5.41 -1.04 -1.10 119.36 123.19 2yqg n ILE 55 Ca 0.00 0.24 -0.10 0.00 1.00 0.00 0.00 62.75 63.90 2yqg n ILE 55 Cb 0.00 -2.00 -0.08 0.00 -0.71 0.00 0.00 39.64 36.85 2yqg n ILE 55 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2yqg h THR 56 N -0.59 1.05 -3.34 1.39 1.35 -1.77 -3.39 112.91 107.61 2yqg h THR 56 Ca 0.00 -1.58 -0.55 0.00 -0.55 0.00 0.00 66.41 63.73 2yqg h THR 56 Cb 0.59 1.90 -0.03 0.00 -1.73 0.00 0.00 68.15 68.88 2yqg h THR 56 CO 0.00 0.33 -0.19 -1.61 -0.25 0.00 0.00 175.52 173.80 2yqg s GLU 57 N -2.55 3.73 0.46 4.72 2.02 -1.22 -4.88 118.70 120.98 2yqg s GLU 57 Ca -0.12 0.14 -0.23 0.00 0.02 0.00 0.00 54.97 54.78 2yqg s GLU 57 Cb -0.01 -2.72 -0.07 0.00 0.10 0.00 0.00 34.13 31.43 2yqg s GLU 57 CO 0.46 0.37 1.16 -1.25 0.02 0.00 0.00 175.26 176.02 2yqg s PRO 58 N -2.76 3.73 0.08 0.39 0.04 -1.26 -2.43 135.00 132.80 2yqg s PRO 58 Ca 0.45 1.77 -0.31 0.00 0.04 0.00 0.00 61.00 62.95 2yqg s PRO 58 Cb -0.12 -2.39 -0.07 0.00 0.04 0.00 0.00 34.50 31.97 2yqg s PRO 58 CO 0.22 -0.57 1.38 -1.25 0.04 0.00 0.00 177.00 176.83 2yqg s PRO 59 N -2.73 4.32 -0.05 0.56 0.04 -1.26 -4.73 135.00 131.15 2yqg s PRO 59 Ca 0.64 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.59 2yqg s PRO 59 Cb -0.28 -3.34 -0.05 0.00 0.04 0.00 0.00 34.50 30.87 2yqg s PRO 59 CO 0.34 -0.46 0.31 -0.59 0.04 0.00 0.00 177.00 176.64 2yqg s PHE 60 N 1.43 3.67 0.00 0.56 -0.12 -1.24 -3.79 117.98 118.49 2yqg s PHE 60 Ca 0.64 0.80 0.00 0.00 -0.05 0.00 0.00 56.93 58.33 2yqg s PHE 60 Cb -0.35 -2.17 0.00 0.00 -0.63 0.00 0.00 43.02 39.87 2yqg s PHE 60 CO 0.29 0.65 0.00 0.41 -0.05 0.00 0.00 175.22 176.52 2yqg n GLY 61 N 1.98 1.56 0.25 1.99 0.00 -0.26 -4.98 105.19 105.74 2yqg n GLY 61 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 2yqg n GLY 61 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2yqg h ILE 62 N 0.00 0.34 -4.11 -0.61 1.08 -1.63 -3.39 117.51 109.19 2yqg h ILE 62 Ca 0.00 0.00 -0.47 0.00 -0.39 0.00 0.00 64.86 64.00 2yqg h ILE 62 Cb 0.00 0.34 -0.26 0.00 -3.07 0.00 0.00 36.82 33.83 2yqg h ILE 62 CO 0.00 0.00 -0.80 -0.36 -0.69 0.00 0.00 178.15 176.30 2yqg s PHE 63 N -6.23 1.29 -0.12 1.37 0.08 -1.26 -1.02 117.98 112.09 2yqg s PHE 63 Ca -0.14 -0.31 0.02 0.00 0.12 0.00 0.00 56.93 56.61 2yqg s PHE 63 Cb 0.19 -0.79 -0.00 0.00 -0.57 0.00 0.00 43.02 41.85 2yqg s PHE 63 CO 0.74 0.02 -0.19 0.14 -0.10 0.00 0.00 175.22 175.83 2yqg s VAL 64 N -0.66 2.45 -0.01 -0.44 -7.23 -0.52 -4.77 120.40 109.22 2yqg s VAL 64 Ca 0.03 -0.87 0.03 0.00 -1.81 0.00 0.00 61.98 59.37 2yqg s VAL 64 Cb -0.07 -1.99 -0.01 0.00 0.56 0.00 0.00 36.38 34.88 2yqg s VAL 64 CO 0.01 0.54 -0.11 0.72 -0.31 0.00 0.00 175.10 175.95 2yqg s PHE 65 N 0.49 1.01 0.36 2.82 -0.12 -1.26 -3.17 117.98 118.12 2yqg s PHE 65 Ca -0.13 -0.20 0.01 0.00 -0.05 0.00 0.00 56.93 56.56 2yqg s PHE 65 Cb -0.17 -0.66 -0.00 0.00 -0.63 0.00 0.00 43.02 41.56 2yqg s PHE 65 CO 0.05 -0.03 0.04 0.09 -0.05 0.00 0.00 175.22 175.32 2yqg n ASN 66 N 2.89 2.36 -0.10 1.98 3.02 -1.26 -5.03 115.26 119.12 2yqg n ASN 66 Ca -0.14 -2.70 -0.10 0.00 -0.03 0.00 0.00 54.58 51.60 2yqg n ASN 66 Cb 0.56 0.47 -0.15 0.00 -0.61 0.00 0.00 39.78 40.05 2yqg n ASN 66 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2yqg n LYS 67 N -0.87 0.80 0.02 3.52 4.81 -1.26 -2.70 118.16 122.47 2yqg n LYS 67 Ca -0.12 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.20 2yqg n LYS 67 Cb 0.49 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 33.95 2yqg n LYS 67 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2yqg h ASP 68 N 0.00 -0.02 0.10 3.14 1.82 -1.98 -3.34 116.42 116.15 2yqg h ASP 68 Ca -0.53 -0.24 -0.35 0.00 -0.39 0.00 0.00 57.03 55.51 2yqg h ASP 68 Cb 2.18 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 42.17 2yqg h ASP 68 CO 0.02 0.23 -1.93 1.07 -1.61 0.00 0.00 179.24 177.02 2yqg n THR 69 N -4.98 1.74 -2.46 2.25 5.66 -1.26 -4.99 114.28 110.23 2yqg n THR 69 Ca -0.08 -0.57 -0.14 0.00 -3.05 0.00 0.00 64.05 60.21 2yqg n THR 69 Cb 0.15 -1.76 0.01 0.00 -1.55 0.00 0.00 70.33 67.17 2yqg n THR 69 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2yqg n GLY 70 N 1.92 -0.18 3.59 1.09 0.00 -1.10 -5.02 105.19 105.51 2yqg n GLY 70 Ca -0.33 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 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 -4.93 2.13 -0.38 1.61 8.01 -1.26 -4.78 118.70 119.10 2yqg s GLU 71 Ca 0.08 -1.26 -0.08 0.00 0.01 0.00 0.00 54.97 53.71 2yqg s GLU 71 Cb -0.03 -2.19 0.05 0.00 -4.31 0.00 0.00 34.13 27.65 2yqg s GLU 71 CO 0.10 0.43 0.18 -1.17 0.01 0.00 0.00 175.26 174.81 2yqg s LEU 72 N -2.93 4.72 -0.03 1.80 2.96 -1.26 -4.26 118.68 119.69 2yqg s LEU 72 Ca 0.26 -1.25 0.07 0.00 -0.22 0.00 0.00 54.13 52.99 2yqg s LEU 72 Cb -0.09 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 2yqg s LEU 72 CO 0.16 -0.42 -0.25 0.21 -1.32 0.00 0.00 176.35 174.73 2yqg s ASN 73 N 1.69 3.11 -0.04 3.68 2.47 -1.19 -2.81 114.94 121.85 2yqg s ASN 73 Ca 0.01 -0.46 -0.22 0.00 0.42 0.00 0.00 52.86 52.61 2yqg s ASN 73 Cb -0.21 -0.46 -0.05 0.00 -1.45 0.00 0.00 41.25 39.08 2yqg s ASN 73 CO 0.03 0.31 0.63 0.54 -3.72 0.00 0.00 177.10 174.89 2yqg s VAL 74 N -0.53 4.98 -0.24 -5.21 0.11 -1.26 -1.44 120.40 116.81 2yqg s VAL 74 Ca 0.08 1.30 0.11 0.00 -2.93 0.00 0.00 61.98 60.54 2yqg s VAL 74 Cb -0.11 -3.97 0.45 0.00 -1.53 0.00 0.00 36.38 31.23 2yqg s VAL 74 CO -0.00 0.34 1.19 0.35 -3.33 0.00 0.00 175.10 173.65 2yqg n THR 75 N 3.23 2.12 -3.51 5.04 -2.24 -0.19 -4.82 114.28 113.92 2yqg n THR 75 Ca -0.05 -3.54 -0.11 0.00 -2.27 0.00 0.00 64.05 58.08 2yqg n THR 75 Cb 0.51 -0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 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 -3.39 -0.45 -0.62 3.42 0.15 -1.24 -4.86 113.70 106.71 2yqg s SER 76 Ca 0.43 0.20 -0.24 0.00 0.70 0.00 0.00 55.95 57.05 2yqg s SER 76 Cb 0.39 0.43 0.05 0.00 -1.71 0.00 0.00 66.02 65.18 2yqg s SER 76 CO -0.02 -0.63 0.98 -0.63 1.20 0.00 0.00 173.24 174.15 2yqg s ILE 77 N -2.50 4.29 -0.02 6.45 1.01 -1.26 -4.68 121.20 124.49 2yqg s ILE 77 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 60.65 60.30 2yqg s ILE 77 Cb -0.01 -4.64 -0.17 0.00 0.01 0.00 0.00 42.46 37.65 2yqg s ILE 77 CO -0.04 -1.34 0.95 0.18 0.00 0.00 0.00 174.94 174.69 2yqg n LEU 78 N 7.76 0.05 -4.27 2.97 4.77 -1.26 -4.86 117.00 122.16 2yqg n LEU 78 Ca -0.01 1.01 -0.42 0.00 -0.03 0.00 0.00 56.01 56.56 2yqg n LEU 78 Cb 0.47 -0.80 -0.02 0.00 -2.33 0.00 0.00 43.42 40.74 2yqg n LEU 78 CO 0.65 -1.61 0.63 -1.81 -1.33 0.00 0.00 177.39 173.92 2yqg s ASP 79 N 0.14 6.90 0.25 -1.43 1.01 -1.26 -4.61 116.67 117.66 2yqg s ASP 79 Ca 0.80 -3.58 -0.06 0.00 0.71 0.00 0.00 52.55 50.41 2yqg s ASP 79 Cb -1.11 -2.12 0.45 0.00 1.01 0.00 0.00 42.92 41.15 2yqg s ASP 79 CO 0.51 -0.27 1.65 -0.09 0.21 0.00 0.00 175.17 177.18 2yqg h ARG 80 N 6.54 0.16 -0.62 8.23 2.43 -1.88 0.81 114.38 130.04 2yqg h ARG 80 Ca 0.17 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.44 2yqg h ARG 80 Cb 0.87 -0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 30.26 2yqg h ARG 80 CO 0.95 0.10 -0.28 0.93 -1.51 0.00 0.00 179.97 180.17 2yqg h GLU 81 N 0.16 -0.11 0.00 0.20 5.08 -1.96 -2.68 114.58 115.28 2yqg h GLU 81 Ca 0.42 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2yqg h GLU 81 Cb 0.73 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2yqg h GLU 81 CO -0.60 -0.07 -0.10 1.49 -1.00 0.00 0.00 179.01 178.73 2yqg h GLU 82 N -0.11 0.00 -3.98 2.33 4.81 -1.55 -3.43 114.58 112.66 2yqg h GLU 82 Ca 0.26 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.74 2yqg h GLU 82 Cb 0.54 0.00 -0.28 0.00 0.63 0.00 0.00 28.75 29.64 2yqg h GLU 82 CO -0.69 0.00 -0.17 0.95 -0.73 0.00 0.00 179.01 178.37 2yqg s THR 83 N -1.59 4.88 -0.17 0.32 -4.23 0.27 -4.90 115.64 110.22 2yqg s THR 83 Ca -0.03 -2.13 0.29 0.00 -1.18 0.00 0.00 61.69 58.64 2yqg s THR 83 Cb 0.00 -4.11 0.32 0.00 1.34 0.00 0.00 72.50 70.06 2yqg s THR 83 CO 0.04 -0.90 1.86 1.55 -0.54 0.00 0.00 174.62 176.63 2yqg h PRO 84 N 8.12 0.00 -1.81 3.99 0.13 -1.67 -3.30 132.00 137.45 2yqg h PRO 84 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2yqg h PRO 84 Cb 1.05 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.97 2yqg h PRO 84 CO 0.85 0.00 0.32 -0.59 -0.23 0.00 0.00 178.00 178.35 2yqg s PHE 85 N -3.51 -0.57 -0.16 1.56 -0.12 -1.26 -3.32 117.98 110.60 2yqg s PHE 85 Ca 0.02 1.09 0.01 0.00 -0.05 0.00 0.00 56.93 58.00 2yqg s PHE 85 Cb 0.09 0.40 0.01 0.00 -0.63 0.00 0.00 43.02 42.89 2yqg s PHE 85 CO 0.46 -0.45 -0.18 -0.06 -0.05 0.00 0.00 175.22 174.94 2yqg s PHE 86 N -0.77 2.76 -0.26 3.49 0.08 -0.99 -5.02 117.98 117.27 2yqg s PHE 86 Ca -0.05 -1.31 -0.10 0.00 0.12 0.00 0.00 56.93 55.60 2yqg s PHE 86 Cb -0.01 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 2yqg s PHE 86 CO 0.04 -0.62 0.15 -0.51 -0.10 0.00 0.00 175.22 174.18 2yqg s LEU 87 N 1.00 3.90 0.00 -0.37 1.43 -1.26 -1.81 118.68 121.57 2yqg s LEU 87 Ca -0.02 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 2yqg s LEU 87 Cb -0.15 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 2yqg s LEU 87 CO -0.05 -0.00 0.05 0.18 0.23 0.00 0.00 176.35 176.76 2yqg n LEU 88 N 4.73 0.00 -3.26 1.79 4.77 -0.60 -3.12 117.00 121.30 2yqg n LEU 88 Ca -0.15 -2.00 0.03 0.00 -0.03 0.00 0.00 56.01 53.86 2yqg n LEU 88 Cb 0.52 0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 42.05 2yqg n LEU 88 CO 0.33 -0.30 0.38 -0.89 -1.33 0.00 0.00 177.39 175.58 2yqg s THR 89 N -2.36 -0.72 0.44 -5.08 2.01 -1.25 -3.15 115.64 105.54 2yqg s THR 89 Ca 0.07 0.00 -0.22 0.00 0.31 0.00 0.00 61.69 61.85 2yqg s THR 89 Cb 0.00 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.43 2yqg s THR 89 CO 0.05 0.00 1.05 -0.83 -0.69 0.00 0.00 174.62 174.20 2yqg s GLY 90 N 2.82 2.64 -0.38 4.40 0.00 -1.25 -3.98 107.32 111.57 2yqg s GLY 90 Ca 0.07 0.68 0.01 0.00 0.00 0.00 0.00 44.72 45.47 2yqg s GLY 90 CO -0.17 1.06 0.18 -0.19 0.00 0.00 0.00 173.10 173.98 2yqg s TYR 91 N -1.79 1.75 -1.20 1.90 2.02 -0.75 -3.81 117.35 115.47 2yqg s TYR 91 Ca 0.62 -2.08 -0.22 0.00 -0.37 0.00 0.00 57.07 55.02 2yqg s TYR 91 Cb -0.20 -1.72 -0.08 0.00 -0.40 0.00 0.00 41.96 39.56 2yqg s TYR 91 CO 0.25 -0.83 1.92 0.00 -1.57 0.00 0.00 175.55 175.32 2yqg n ALA 92 N 4.10 1.93 -1.88 3.71 0.00 -1.26 -3.42 120.51 123.69 2yqg n ALA 92 Ca 0.05 -3.07 -0.33 0.00 0.00 0.00 0.00 53.44 50.09 2yqg n ALA 92 Cb 0.38 -3.48 -0.07 0.00 0.00 0.00 0.00 19.45 16.27 2yqg n ALA 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2yqg s LEU 93 N 10.66 3.97 0.00 0.00 1.43 -0.91 -3.75 118.68 130.08 2yqg s LEU 93 Ca 0.67 1.62 -0.01 0.00 -1.03 0.00 0.00 54.13 55.38 2yqg s LEU 93 Cb -0.00 -4.45 0.15 0.00 0.03 0.00 0.00 46.19 41.92 2yqg s LEU 93 CO 0.13 -0.33 1.02 -0.67 0.23 0.00 0.00 176.35 176.74 2yqg n ASP 94 N -0.57 1.27 0.00 2.29 2.03 -1.00 -1.42 116.55 119.14 2yqg n ASP 94 Ca 0.06 -2.09 0.05 0.00 0.52 0.00 0.00 54.79 53.33 2yqg n ASP 94 Cb 0.54 -0.67 0.23 0.00 -0.72 0.00 0.00 41.12 40.50 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 -2.97 1.55 -0.03 -1.67 0.00 -1.26 -2.10 120.51 114.02 2yqg n ALA 95 Ca -0.17 -0.04 -0.16 0.00 0.00 0.00 0.00 53.44 53.07 2yqg n ALA 95 Cb 0.59 -1.16 -0.14 0.00 0.00 0.00 0.00 19.45 18.74 2yqg n ALA 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2yqg n ARG 96 N -1.38 0.70 0.00 0.00 1.74 -1.26 -5.01 116.66 111.45 2yqg n ARG 96 Ca 0.04 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 2yqg n ARG 96 Cb 0.09 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 2yqg n ARG 96 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2yqg n GLY 97 N 1.89 1.67 3.13 -0.13 0.00 -0.89 -5.14 105.19 105.72 2yqg n GLY 97 Ca -0.30 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 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 1.24 -0.62 1.61 0.01 -1.26 -4.91 114.94 109.01 2yqg s ASN 98 Ca 0.00 -0.69 -0.28 0.00 -0.71 0.00 0.00 52.86 51.18 2yqg s ASN 98 Cb 0.00 0.02 0.02 0.00 0.41 0.00 0.00 41.25 41.69 2yqg s ASN 98 CO 0.00 -0.22 1.38 0.21 -1.51 0.00 0.00 177.10 176.96 2yqg s ASN 99 N -2.04 6.10 0.36 -1.22 2.47 -1.26 -2.39 114.94 116.96 2yqg s ASN 99 Ca -0.01 0.05 0.24 0.00 0.42 0.00 0.00 52.86 53.55 2yqg s ASN 99 Cb -0.06 -2.55 0.43 0.00 -1.45 0.00 0.00 41.25 37.62 2yqg s ASN 99 CO 0.00 -1.78 1.61 -0.37 -3.72 0.00 0.00 177.10 172.84 2yqg h VAL 100 N 6.29 0.00 -3.53 -5.21 -1.51 -1.94 -3.44 116.25 106.90 2yqg h VAL 100 Ca -0.27 -0.86 -0.30 0.00 -1.23 0.00 0.00 66.70 64.04 2yqg h VAL 100 Cb 1.08 1.82 -0.34 0.00 -2.13 0.00 0.00 31.29 31.72 2yqg h VAL 100 CO 1.21 0.00 -0.73 -1.61 -1.23 0.00 0.00 177.57 175.21 2yqg s GLU 101 N -3.19 -0.03 0.18 5.19 0.41 -1.26 -5.12 118.70 114.88 2yqg s GLU 101 Ca 0.07 0.18 -0.31 0.00 -0.41 0.00 0.00 54.97 54.50 2yqg s GLU 101 Cb 0.07 -0.24 -0.16 0.00 -1.78 0.00 0.00 34.13 32.01 2yqg s GLU 101 CO 0.66 -0.16 0.86 1.17 -0.49 0.00 0.00 175.26 177.30 2yqg n LYS 102 N 4.13 0.58 -2.24 1.61 3.00 -1.26 -4.63 118.16 119.35 2yqg n LYS 102 Ca -0.27 0.20 -0.41 0.00 -0.00 0.00 0.00 58.31 57.83 2yqg n LYS 102 Cb 0.51 -1.48 -0.03 0.00 0.00 0.00 0.00 35.03 34.03 2yqg n LYS 102 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2yqg s PRO 103 N -0.82 4.43 0.74 1.64 0.04 -1.26 -4.95 135.00 134.82 2yqg s PRO 103 Ca 0.69 2.06 -0.03 0.00 0.04 0.00 0.00 61.00 63.76 2yqg s PRO 103 Cb -0.91 -3.15 0.13 0.00 0.04 0.00 0.00 34.50 30.61 2yqg s PRO 103 CO 0.56 -0.13 1.03 -0.48 0.04 0.00 0.00 177.00 178.02 2yqg s LEU 104 N -0.98 2.95 -0.05 -3.56 2.34 -1.25 -4.99 118.68 113.14 2yqg s LEU 104 Ca 0.51 -0.23 0.04 0.00 0.06 0.00 0.00 54.13 54.52 2yqg s LEU 104 Cb -0.37 -2.12 -0.02 0.00 -0.56 0.00 0.00 46.19 43.12 2yqg s LEU 104 CO 0.44 -1.93 -0.15 -0.70 -1.06 0.00 0.00 176.35 172.95 2yqg s GLU 105 N -5.22 2.49 -0.24 1.48 2.56 -1.26 -3.94 118.70 114.56 2yqg s GLU 105 Ca 0.66 -0.72 -0.03 0.00 0.00 0.00 0.00 54.97 54.89 2yqg s GLU 105 Cb -0.06 -2.35 0.08 0.00 2.00 0.00 0.00 34.13 33.80 2yqg s GLU 105 CO 0.45 0.60 0.07 -1.17 -0.56 0.00 0.00 175.26 174.65 2yqg s LEU 106 N -0.68 1.32 -0.82 2.70 2.96 -1.19 -5.00 118.68 117.97 2yqg s LEU 106 Ca 0.10 -1.10 -0.08 0.00 -0.22 0.00 0.00 54.13 52.83 2yqg s LEU 106 Cb -0.11 -0.61 0.21 0.00 0.50 0.00 0.00 46.19 46.18 2yqg s LEU 106 CO 0.01 -0.36 0.72 -0.60 -1.32 0.00 0.00 176.35 174.80 2yqg s ARG 107 N 1.85 3.33 0.07 1.98 3.52 -1.26 -1.56 118.95 126.87 2yqg s ARG 107 Ca 0.04 -2.72 -0.31 0.00 -0.13 0.00 0.00 55.73 52.61 2yqg s ARG 107 Cb -0.17 -4.16 -0.07 0.00 -1.56 0.00 0.00 34.95 28.98 2yqg s ARG 107 CO -0.17 -1.24 1.47 0.42 -0.81 0.00 0.00 175.30 174.96 2yqg s ILE 108 N -0.35 3.32 -0.11 4.11 1.01 -0.75 -4.48 121.20 123.95 2yqg s ILE 108 Ca 0.21 0.84 -0.16 0.00 0.00 0.00 0.00 60.65 61.54 2yqg s ILE 108 Cb -0.13 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 2yqg s ILE 108 CO -0.08 0.03 0.40 -0.75 0.00 0.00 0.00 174.94 174.54 2yqg s LYS 109 N 1.92 4.24 -1.05 2.79 2.47 -1.01 -2.33 119.74 126.78 2yqg s LYS 109 Ca 0.67 0.33 -0.12 0.00 -1.56 0.00 0.00 55.97 55.29 2yqg s LYS 109 Cb -0.36 -3.40 0.23 0.00 -1.46 0.00 0.00 37.83 32.84 2yqg s LYS 109 CO 0.29 0.27 1.09 0.08 0.16 0.00 0.00 175.35 177.24 2yqg s VAL 110 N 0.30 5.63 0.48 4.02 1.01 -1.21 0.47 120.40 131.10 2yqg s VAL 110 Ca 0.22 -2.90 -0.23 0.00 0.00 0.00 0.00 61.98 59.08 2yqg s VAL 110 Cb -0.15 -4.64 -0.07 0.00 0.00 0.00 0.00 36.38 31.52 2yqg s VAL 110 CO 0.09 -1.25 1.27 -0.76 0.00 0.00 0.00 175.10 174.44 2yqg s LEU 111 N -0.08 3.99 0.03 3.92 1.43 0.19 -4.83 118.68 123.33 2yqg s LEU 111 Ca 0.30 2.55 -0.26 0.00 -1.03 0.00 0.00 54.13 55.69 2yqg s LEU 111 Cb -0.08 -4.18 -0.05 0.00 0.03 0.00 0.00 46.19 41.90 2yqg s LEU 111 CO -0.07 -1.15 0.79 1.51 0.23 0.00 0.00 176.35 177.66 2yqg s ASP 112 N -1.08 7.21 0.61 2.29 -4.77 -1.26 -3.23 116.67 116.45 2yqg s ASP 112 Ca 0.65 1.45 0.30 0.00 -3.30 0.00 0.00 52.55 51.65 2yqg s ASP 112 Cb -0.35 -2.48 1.61 0.00 -1.09 0.00 0.00 42.92 40.62 2yqg s ASP 112 CO 0.42 -0.03 1.99 -0.29 0.70 0.00 0.00 175.17 177.96 2yqg h ILE 113 N 4.27 0.29 0.00 2.11 6.09 -1.90 0.26 117.51 128.63 2yqg h ILE 113 Ca -0.43 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.04 2yqg h ILE 113 Cb 1.21 0.72 -0.00 0.00 0.47 0.00 0.00 36.82 39.21 2yqg h ILE 113 CO 0.72 0.00 -0.09 0.78 -3.07 0.00 0.00 178.15 176.49 2yqg h ASN 114 N 0.00 0.00 0.22 2.19 2.35 -1.94 -1.75 115.58 116.65 2yqg h ASN 114 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2yqg h ASN 114 Cb 0.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.15 2yqg h ASN 114 CO -0.00 0.09 0.00 -0.67 -1.65 0.00 0.00 177.43 175.20 2yqg n ASP 115 N -3.55 0.48 -2.73 5.81 2.03 0.90 -4.80 116.55 114.69 2yqg n ASP 115 Ca -0.02 0.69 -0.15 0.00 0.52 0.00 0.00 54.79 55.83 2yqg n ASP 115 Cb 0.22 -0.76 -0.03 0.00 -0.72 0.00 0.00 41.12 39.83 2yqg n ASP 115 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2yqg n ASN 116 N -2.11 -0.95 -4.67 1.67 4.13 -0.66 -4.78 115.26 107.90 2yqg n ASN 116 Ca -0.00 -0.30 -0.43 0.00 1.68 0.00 0.00 54.58 55.53 2yqg n ASN 116 Cb 0.09 -0.87 -0.02 0.00 -1.54 0.00 0.00 39.78 37.44 2yqg n ASN 116 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2yqg s GLU 117 N -4.26 4.27 1.20 3.52 2.56 -1.26 -5.03 118.70 119.70 2yqg s GLU 117 Ca 0.30 1.52 -0.19 0.00 0.00 0.00 0.00 54.97 56.61 2yqg s GLU 117 Cb -0.18 -3.68 0.28 0.00 2.00 0.00 0.00 34.13 32.56 2yqg s GLU 117 CO 0.37 -0.62 1.11 -1.25 -0.56 0.00 0.00 175.26 174.31 2yqg s PRO 118 N 3.12 -1.17 -0.11 4.30 0.04 -1.26 -5.07 135.00 134.86 2yqg s PRO 118 Ca 0.50 -0.05 0.01 0.00 0.04 0.00 0.00 61.00 61.51 2yqg s PRO 118 Cb -0.19 -1.60 0.02 0.00 0.04 0.00 0.00 34.50 32.77 2yqg s PRO 118 CO 0.12 -3.68 -0.13 0.08 0.04 0.00 0.00 177.00 173.43 2yqg s VAL 119 N -3.01 1.37 -0.55 -0.36 1.01 -1.26 -5.02 120.40 112.58 2yqg s VAL 119 Ca 0.71 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 62.16 2yqg s VAL 119 Cb -0.10 -1.28 0.43 0.00 0.00 0.00 0.00 36.38 35.43 2yqg s VAL 119 CO 0.56 0.42 1.60 0.33 0.00 0.00 0.00 175.10 178.01 2yqg n PHE 120 N 4.40 3.07 -3.66 5.22 7.35 -1.26 -4.92 117.46 127.67 2yqg n PHE 120 Ca -0.18 -2.67 -0.26 0.00 -0.76 0.00 0.00 57.45 53.58 2yqg n PHE 120 Cb 0.51 -0.81 -0.06 0.00 0.35 0.00 0.00 39.48 39.47 2yqg n PHE 120 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 2yqg n THR 121 N -0.70 -0.29 -1.80 -2.13 -1.04 -1.26 -4.77 114.28 102.30 2yqg n THR 121 Ca 0.51 -0.14 -0.41 0.00 -2.04 0.00 0.00 64.05 61.96 2yqg n THR 121 Cb 0.67 -0.49 -0.02 0.00 -1.82 0.00 0.00 70.33 68.68 2yqg n THR 121 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2yqg s GLN 122 N -5.59 4.14 0.00 -2.82 0.74 -1.26 -5.17 119.66 109.69 2yqg s GLN 122 Ca 0.34 2.55 0.05 0.00 0.05 0.00 0.00 55.36 58.34 2yqg s GLN 122 Cb -0.20 -3.04 0.04 0.00 1.10 0.00 0.00 33.01 30.92 2yqg s GLN 122 CO 0.70 -0.62 0.65 -0.25 -0.55 0.00 0.00 175.29 175.22