#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqm s SER 2 N 0.00 -0.01 -0.29 1.61 0.01 -1.26 -5.15 113.70 108.61 2yqm s SER 2 Ca 0.00 0.66 -0.27 0.00 1.31 0.00 0.00 55.95 57.65 2yqm s SER 2 Cb 0.00 0.70 0.19 0.00 0.21 0.00 0.00 66.02 67.12 2yqm s SER 2 CO 0.00 -0.21 1.41 -0.44 0.41 0.00 0.00 173.24 174.41 2yqm s SER 3 N 1.96 -0.04 -0.19 2.44 0.01 -1.26 -5.15 113.70 111.48 2yqm s SER 3 Ca -0.04 0.06 -0.05 0.00 1.31 0.00 0.00 55.95 57.23 2yqm s SER 3 Cb -0.11 0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.15 2yqm s SER 3 CO -0.10 -0.02 0.00 -0.83 0.41 0.00 0.00 173.24 172.70 2yqm s GLY 4 N -0.49 1.76 0.00 3.44 0.00 -1.26 -5.07 107.32 105.70 2yqm s GLY 4 Ca 0.08 -0.90 -0.30 0.00 0.00 0.00 0.00 44.72 43.60 2yqm s GLY 4 CO -0.12 0.12 1.66 -1.35 0.00 0.00 0.00 173.10 173.42 2yqm s SER 5 N 0.71 6.64 0.20 1.64 1.04 -1.26 -5.00 113.70 117.67 2yqm s SER 5 Ca 0.00 2.35 0.06 0.00 0.48 0.00 0.00 55.95 58.85 2yqm s SER 5 Cb -0.14 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.39 2yqm s SER 5 CO 0.02 -0.91 -0.11 -0.94 0.98 0.00 0.00 173.24 172.28 2yqm s SER 6 N 3.01 2.26 0.20 7.02 1.04 -1.26 -5.15 113.70 120.82 2yqm s SER 6 Ca 0.74 -1.05 -0.13 0.00 0.48 0.00 0.00 55.95 55.99 2yqm s SER 6 Cb -0.36 -0.08 -0.07 0.00 0.10 0.00 0.00 66.02 65.60 2yqm s SER 6 CO 0.31 -0.27 0.58 -0.83 0.98 0.00 0.00 173.24 174.01 2yqm s GLY 7 N -3.28 2.40 -0.96 7.32 0.00 -1.26 -5.03 107.32 106.52 2yqm s GLY 7 Ca 0.22 -0.13 -0.03 0.00 0.00 0.00 0.00 44.72 44.77 2yqm s GLY 7 CO 0.05 0.10 0.97 1.39 0.00 0.00 0.00 173.10 175.61 2yqm n ILE 8 N 0.37 3.69 -4.74 0.90 -0.00 -1.26 -5.02 119.36 113.31 2yqm n ILE 8 Ca -0.02 -5.32 -0.26 0.00 -0.00 0.00 0.00 62.75 57.14 2yqm n ILE 8 Cb 0.52 -2.35 -0.17 0.00 -0.00 0.00 0.00 39.64 37.64 2yqm n ILE 8 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 2yqm s LYS 9 N -1.70 2.00 0.50 0.38 1.02 -1.26 -5.14 119.74 115.53 2yqm s LYS 9 Ca 0.30 -0.53 0.01 0.00 0.02 0.00 0.00 55.97 55.78 2yqm s LYS 9 Cb -0.04 -1.61 -0.01 0.00 -0.52 0.00 0.00 37.83 35.66 2yqm s LYS 9 CO -0.07 0.07 0.03 -1.83 -0.92 0.00 0.00 175.35 172.64 2yqm s GLU 10 N 0.55 2.16 -0.01 1.68 -1.05 -1.26 -5.16 118.70 115.60 2yqm s GLU 10 Ca -0.15 -2.38 0.03 0.00 -0.15 0.00 0.00 54.97 52.32 2yqm s GLU 10 Cb -0.16 -1.30 -0.00 0.00 -0.44 0.00 0.00 34.13 32.22 2yqm s GLU 10 CO 0.05 -0.42 -0.10 0.54 0.95 0.00 0.00 175.26 176.29 2yqm s VAL 11 N -2.96 0.80 -0.69 1.83 0.11 -1.26 -5.10 120.40 113.12 2yqm s VAL 11 Ca 0.08 -0.41 -0.20 0.00 -2.93 0.00 0.00 61.98 58.52 2yqm s VAL 11 Cb 0.01 -0.68 0.10 0.00 -1.53 0.00 0.00 36.38 34.28 2yqm s VAL 11 CO 0.05 0.23 0.90 0.20 -3.33 0.00 0.00 175.10 173.15 2yqm s ASN 12 N -0.08 6.28 -0.04 3.54 0.01 -1.26 -5.02 114.94 118.38 2yqm s ASN 12 Ca 0.01 -1.40 0.06 0.00 -0.71 0.00 0.00 52.86 50.83 2yqm s ASN 12 Cb -0.06 -2.37 -0.02 0.00 0.41 0.00 0.00 41.25 39.22 2yqm s ASN 12 CO -0.00 -1.23 -0.23 -1.10 -1.51 0.00 0.00 177.10 173.03 2yqm s GLN 13 N 3.21 2.30 -1.43 -0.60 -0.21 -1.26 -5.04 119.66 116.62 2yqm s GLN 13 Ca 0.20 -0.86 -0.13 0.00 0.02 0.00 0.00 55.36 54.59 2yqm s GLN 13 Cb -0.17 -2.15 0.06 0.00 1.00 0.00 0.00 33.01 31.75 2yqm s GLN 13 CO 0.04 0.54 2.21 0.00 -2.12 0.00 0.00 175.29 175.96 2yqm n ALA 14 N 2.51 5.66 -1.93 6.09 0.00 -1.26 -4.76 120.51 126.81 2yqm n ALA 14 Ca -0.17 -3.95 -0.38 0.00 0.00 0.00 0.00 53.44 48.95 2yqm n ALA 14 Cb 0.51 -3.41 0.02 0.00 0.00 0.00 0.00 19.45 16.58 2yqm n ALA 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2yqm n LEU 15 N 5.43 7.33 -4.36 0.00 4.77 -1.26 -4.92 117.00 123.98 2yqm n LEU 15 Ca 0.51 -4.76 -0.42 0.00 -0.03 0.00 0.00 56.01 51.31 2yqm n LEU 15 Cb 0.37 -1.13 -0.10 0.00 -2.33 0.00 0.00 43.42 40.24 2yqm n LEU 15 CO 0.88 1.80 -0.08 -0.75 -1.33 0.00 0.00 177.39 177.91 2yqm s LYS 16 N -3.53 2.83 -0.24 3.23 2.20 -1.26 -5.03 119.74 117.94 2yqm s LYS 16 Ca 0.52 -1.25 -0.28 0.00 -0.36 0.00 0.00 55.97 54.60 2yqm s LYS 16 Cb 0.39 -3.89 0.15 0.00 -1.51 0.00 0.00 37.83 32.96 2yqm s LYS 16 CO -0.33 -0.87 1.14 0.20 -0.36 0.00 0.00 175.35 175.14 2yqm s GLY 17 N 2.01 -0.07 -0.02 5.54 0.00 -1.26 -5.17 107.32 108.35 2yqm s GLY 17 Ca 0.03 2.58 0.03 0.00 0.00 0.00 0.00 44.72 47.36 2yqm s GLY 17 CO 0.06 1.38 -0.11 0.30 0.00 0.00 0.00 173.10 174.73 2yqm s HIS 18 N -0.59 1.03 0.55 1.90 3.76 -1.26 -5.15 115.29 115.54 2yqm s HIS 18 Ca 0.03 -0.22 -0.04 0.00 -0.15 0.00 0.00 55.06 54.68 2yqm s HIS 18 Cb -0.02 -0.69 0.01 0.00 1.11 0.00 0.00 32.58 32.98 2yqm s HIS 18 CO -0.05 -0.05 0.84 0.00 -0.85 0.00 0.00 174.74 174.63 2yqm s ALA 19 N -0.11 3.43 -0.21 -1.40 0.00 -1.26 -4.99 121.76 117.22 2yqm s ALA 19 Ca 0.02 -0.80 -0.29 0.00 0.00 0.00 0.00 51.96 50.89 2yqm s ALA 19 Cb -0.06 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 2yqm s ALA 19 CO -0.00 -0.69 1.87 -1.58 0.00 0.00 0.00 175.76 175.36 2yqm s TRP 20 N -2.87 1.68 -1.28 0.00 0.52 -1.26 -4.90 118.94 110.83 2yqm s TRP 20 Ca 0.52 0.43 -0.17 0.00 0.02 0.00 0.00 56.10 56.90 2yqm s TRP 20 Cb -0.10 -4.04 0.10 0.00 -1.15 0.00 0.00 33.47 28.27 2yqm s TRP 20 CO 0.43 -3.59 1.66 1.28 0.02 0.00 0.00 176.95 176.75 2yqm n LEU 21 N 9.63 5.02 -4.18 2.99 4.32 -1.26 -4.90 117.00 128.62 2yqm n LEU 21 Ca 0.23 -4.07 -0.40 0.00 -0.02 0.00 0.00 56.01 51.75 2yqm n LEU 21 Cb 0.45 -1.71 -0.02 0.00 -1.62 0.00 0.00 43.42 40.51 2yqm n LEU 21 CO 0.66 0.31 2.10 0.29 -1.22 0.00 0.00 177.39 179.54 2yqm n LYS 22 N 7.64 2.48 -2.42 3.23 4.76 -1.26 -4.59 118.16 128.01 2yqm n LYS 22 Ca 0.46 -2.68 -0.16 0.00 -2.87 0.00 0.00 58.31 53.07 2yqm n LYS 22 Cb 0.45 -3.39 0.03 0.00 -1.84 0.00 0.00 35.03 30.28 2yqm n LYS 22 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2yqm n ASP 23 N 8.82 3.48 -0.05 4.39 -0.08 -1.26 -4.83 116.55 127.02 2yqm n ASP 23 Ca 0.49 -3.11 -0.07 0.00 -1.51 0.00 0.00 54.79 50.59 2yqm n ASP 23 Cb 0.43 -0.42 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 2yqm n ASP 23 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2yqm n ASP 24 N -0.56 1.62 -3.73 1.67 8.00 -1.26 -4.86 116.55 117.42 2yqm n ASP 24 Ca 0.28 0.26 -0.29 0.00 0.71 0.00 0.00 54.79 55.75 2yqm n ASP 24 Cb 0.85 -0.59 -0.09 0.00 -0.02 0.00 0.00 41.12 41.26 2yqm n ASP 24 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2yqm n GLU 25 N -4.10 2.28 -1.68 -1.24 1.02 -1.26 -5.07 120.64 110.59 2yqm n GLU 25 Ca -0.12 -4.57 -0.51 0.00 -0.02 0.00 0.00 57.16 51.94 2yqm n GLU 25 Cb 0.38 -2.30 -0.05 0.00 -0.02 0.00 0.00 31.44 29.45 2yqm n GLU 25 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yqm n ALA 26 N 1.52 0.47 0.13 0.62 0.00 -1.26 -4.90 120.51 117.09 2yqm n ALA 26 Ca 0.24 0.35 -0.07 0.00 0.00 0.00 0.00 53.44 53.97 2yqm n ALA 26 Cb 0.37 -2.37 -0.04 0.00 0.00 0.00 0.00 19.45 17.42 2yqm n ALA 26 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2yqm h THR 27 N 4.99 0.08 -3.42 0.00 1.35 -1.97 -3.48 112.91 110.45 2yqm h THR 27 Ca -0.47 -0.73 -0.32 0.00 -0.55 0.00 0.00 66.41 64.34 2yqm h THR 27 Cb 1.29 0.13 -0.15 0.00 -1.73 0.00 0.00 68.15 67.70 2yqm h THR 27 CO 0.93 0.02 -0.71 -1.00 -0.25 0.00 0.00 175.52 174.52 2yqm s HIS 28 N -2.99 1.26 0.52 4.73 3.76 -1.26 -4.42 115.29 116.89 2yqm s HIS 28 Ca -0.07 -0.79 -0.22 0.00 -0.15 0.00 0.00 55.06 53.83 2yqm s HIS 28 Cb 0.01 -0.66 -0.07 0.00 1.11 0.00 0.00 32.58 32.97 2yqm s HIS 28 CO 0.22 0.05 1.10 0.00 -0.85 0.00 0.00 174.74 175.25 2yqm n ARG 30 N -0.54 3.60 0.01 0.00 5.12 -1.26 -3.43 116.66 120.16 2yqm n ARG 30 Ca 0.11 -2.36 0.00 0.00 -1.93 0.00 0.00 57.85 53.66 2yqm n ARG 30 Cb 0.43 -2.05 0.00 0.00 -1.16 0.00 0.00 32.46 29.69 2yqm n ARG 30 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2yqm n GLN 31 N 0.25 0.00 0.18 5.56 7.27 -1.26 -4.90 117.38 124.48 2yqm n GLN 31 Ca 0.25 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.38 2yqm n GLN 31 Cb 1.05 -0.00 0.26 0.00 2.41 0.00 0.00 30.24 33.96 2yqm n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2yqm n GLU 33 N -3.41 -4.03 -4.50 0.00 2.13 -1.22 -5.02 120.64 104.57 2yqm n GLU 33 Ca 0.00 0.72 -0.23 0.00 0.66 0.00 0.00 57.16 58.31 2yqm n GLU 33 Cb 0.57 -5.23 -0.16 0.00 0.27 0.00 0.00 31.44 26.89 2yqm n GLU 33 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2yqm s LYS 34 N -4.73 1.34 -0.02 5.31 1.02 -1.26 -4.88 119.74 116.51 2yqm s LYS 34 Ca 0.16 -0.37 -0.35 0.00 0.02 0.00 0.00 55.97 55.43 2yqm s LYS 34 Cb -0.02 -1.18 -0.14 0.00 -0.52 0.00 0.00 37.83 35.98 2yqm s LYS 34 CO 0.61 0.08 1.70 -1.91 -0.92 0.00 0.00 175.35 174.91 2yqm n GLU 35 N 3.55 1.90 -1.29 1.68 2.13 -1.26 -3.67 120.64 123.68 2yqm n GLU 35 Ca -0.21 0.69 -0.34 0.00 0.66 0.00 0.00 57.16 57.97 2yqm n GLU 35 Cb 0.53 -2.47 0.11 0.00 0.27 0.00 0.00 31.44 29.88 2yqm n GLU 35 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2yqm s PHE 36 N 2.58 1.95 0.27 4.31 0.08 -1.26 -5.02 117.98 120.88 2yqm s PHE 36 Ca 0.88 1.63 0.02 0.00 0.12 0.00 0.00 56.93 59.58 2yqm s PHE 36 Cb -0.77 -3.47 -0.04 0.00 -0.57 0.00 0.00 43.02 38.16 2yqm s PHE 36 CO 0.49 -2.71 0.13 -1.12 -0.10 0.00 0.00 175.22 171.91 2yqm s SER 37 N -2.10 1.12 0.10 1.36 0.01 -1.23 -5.01 113.70 107.93 2yqm s SER 37 Ca 0.74 -1.46 -0.25 0.00 1.31 0.00 0.00 55.95 56.29 2yqm s SER 37 Cb -0.29 0.30 -0.11 0.00 0.21 0.00 0.00 66.02 66.13 2yqm s SER 37 CO 0.48 -0.82 1.69 0.40 0.41 0.00 0.00 173.24 175.40 2yqm h ILE 38 N 2.36 0.74 -0.04 1.44 5.03 -1.98 -0.80 117.51 124.27 2yqm h ILE 38 Ca -0.36 0.00 -0.19 0.00 -0.12 0.00 0.00 64.86 64.20 2yqm h ILE 38 Cb 1.25 0.74 -0.01 0.00 -3.03 0.00 0.00 36.82 35.77 2yqm h ILE 38 CO 0.55 0.00 -0.78 -1.28 -0.68 0.00 0.00 178.15 175.96 2yqm h SER 39 N -0.23 0.36 -0.99 1.72 0.87 -2.03 -3.20 113.55 110.05 2yqm h SER 39 Ca 0.01 -0.26 -0.60 0.00 -1.23 0.00 0.00 61.79 59.72 2yqm h SER 39 Cb 0.24 -0.11 -0.25 0.00 -0.44 0.00 0.00 62.40 61.84 2yqm h SER 39 CO -0.05 1.01 0.77 -1.14 -0.53 0.00 0.00 176.83 176.89 2yqm n ARG 40 N -3.77 2.49 -0.70 2.24 0.63 -1.08 -4.97 116.66 111.50 2yqm n ARG 40 Ca -0.04 -2.89 -0.32 0.00 -0.92 0.00 0.00 57.85 53.68 2yqm n ARG 40 Cb 0.74 -2.13 0.16 0.00 0.45 0.00 0.00 32.46 31.68 2yqm n ARG 40 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2yqm n ARG 41 N -0.51 -1.33 -3.56 -0.14 1.74 -0.33 -3.58 116.66 108.95 2yqm n ARG 41 Ca 0.54 -0.37 -0.20 0.00 -0.77 0.00 0.00 57.85 57.06 2yqm n ARG 41 Cb 0.59 -1.73 -0.02 0.00 -1.02 0.00 0.00 32.46 30.28 2yqm n ARG 41 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2yqm s LYS 42 N -3.49 2.89 0.12 5.56 -2.85 -1.26 -2.81 119.74 117.89 2yqm s LYS 42 Ca 0.56 -1.19 -0.01 0.00 -1.00 0.00 0.00 55.97 54.33 2yqm s LYS 42 Cb -0.14 -2.65 -0.04 0.00 -2.06 0.00 0.00 37.83 32.95 2yqm s LYS 42 CO 0.66 0.02 0.03 -1.01 0.10 0.00 0.00 175.35 175.15 2yqm s HIS 43 N -2.27 0.83 -0.22 1.78 3.76 0.71 -4.96 115.29 114.92 2yqm s HIS 43 Ca 0.45 -1.18 -0.10 0.00 -0.15 0.00 0.00 55.06 54.08 2yqm s HIS 43 Cb -0.08 -0.48 -0.05 0.00 1.11 0.00 0.00 32.58 33.08 2yqm s HIS 43 CO 0.29 -0.46 0.14 -1.01 -0.85 0.00 0.00 174.74 172.85 2yqm s HIS 44 N -3.98 3.33 0.50 1.40 3.76 -1.26 -2.90 115.29 116.13 2yqm s HIS 44 Ca 0.21 0.22 -0.21 0.00 -0.15 0.00 0.00 55.06 55.12 2yqm s HIS 44 Cb 0.07 -2.21 -0.07 0.00 1.11 0.00 0.00 32.58 31.48 2yqm s HIS 44 CO -0.00 0.13 1.14 0.00 -0.85 0.00 0.00 174.74 175.15 2yqm n ARG 46 N -0.89 4.72 0.00 0.00 3.00 -1.26 -3.70 116.66 118.54 2yqm n ARG 46 Ca 0.09 -3.11 0.00 0.00 -0.01 0.00 0.00 57.85 54.82 2yqm n ARG 46 Cb 0.50 -2.21 0.00 0.00 0.00 0.00 0.00 32.46 30.75 2yqm n ARG 46 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2yqm n ASN 47 N 0.72 0.00 0.12 0.55 5.15 -1.26 -4.90 115.26 115.65 2yqm n ASN 47 Ca 0.27 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 54.25 2yqm n ASN 47 Cb 1.15 0.00 0.08 0.00 -0.53 0.00 0.00 39.78 40.48 2yqm n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2yqm n GLY 49 N 0.85 0.15 3.71 0.00 0.00 -1.24 -5.04 105.19 103.61 2yqm n GLY 49 Ca 0.00 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 2yqm n GLY 49 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2yqm s HIS 50 N -3.13 1.77 -0.16 1.61 3.76 -1.26 -4.87 115.29 113.01 2yqm s HIS 50 Ca 0.04 -1.10 -0.07 0.00 -0.15 0.00 0.00 55.06 53.77 2yqm s HIS 50 Cb -0.00 -1.45 -0.04 0.00 1.11 0.00 0.00 32.58 32.19 2yqm s HIS 50 CO 0.27 0.03 0.08 0.42 -0.85 0.00 0.00 174.74 174.69 2yqm s ILE 51 N -2.98 4.99 0.13 0.60 -1.09 -1.26 -2.78 121.20 118.80 2yqm s ILE 51 Ca 0.08 0.03 -0.14 0.00 -2.23 0.00 0.00 60.65 58.38 2yqm s ILE 51 Cb 0.01 -3.22 0.02 0.00 -1.58 0.00 0.00 42.46 37.69 2yqm s ILE 51 CO 0.05 0.51 0.36 -0.36 -1.23 0.00 0.00 174.94 174.27 2yqm s PHE 52 N -0.08 -0.07 0.60 3.97 0.08 -1.14 -4.11 117.98 117.24 2yqm s PHE 52 Ca 0.08 -0.28 -0.00 0.00 0.12 0.00 0.00 56.93 56.84 2yqm s PHE 52 Cb -0.12 0.18 0.05 0.00 -0.57 0.00 0.00 43.02 42.56 2yqm s PHE 52 CO 0.01 -0.69 0.85 0.00 -0.10 0.00 0.00 175.22 175.28 2yqm h ASN 54 N -0.14 0.00 1.07 0.00 -0.73 -1.72 0.27 115.58 114.33 2yqm h ASN 54 Ca -0.42 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 57.67 2yqm h ASN 54 Cb 1.30 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.87 2yqm h ASN 54 CO 0.52 0.05 -0.42 0.74 -0.37 0.00 0.00 177.43 177.94 2yqm h THR 55 N 0.00 0.87 0.00 -3.57 2.02 -1.92 -2.95 112.91 107.37 2yqm h THR 55 Ca -0.00 -1.78 -0.23 0.00 0.77 0.00 0.00 66.41 65.17 2yqm h THR 55 Cb 0.12 2.11 -0.04 0.00 -1.74 0.00 0.00 68.15 68.60 2yqm h THR 55 CO 0.01 0.42 -2.02 0.00 0.37 0.00 0.00 175.52 174.30 2yqm n SER 57 N -2.69 6.22 -2.31 0.00 3.41 0.82 -1.51 113.62 117.56 2yqm n SER 57 Ca -0.20 -3.78 -0.33 0.00 -0.26 0.00 0.00 58.87 54.30 2yqm n SER 57 Cb 0.94 -0.76 0.07 0.00 -0.26 0.00 0.00 64.21 64.21 2yqm n SER 57 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2yqm n SER 58 N -0.58 7.57 -3.92 4.04 2.88 -1.12 -4.62 113.62 117.88 2yqm n SER 58 Ca 0.48 -3.71 -0.09 0.00 -1.33 0.00 0.00 58.87 54.22 2yqm n SER 58 Cb 0.51 -0.99 -0.07 0.00 -0.75 0.00 0.00 64.21 62.91 2yqm n SER 58 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2yqm s ASN 59 N -1.57 0.03 0.09 -3.46 0.01 -1.26 -5.08 114.94 103.71 2yqm s ASN 59 Ca 0.61 -0.80 -0.01 0.00 -0.71 0.00 0.00 52.86 51.95 2yqm s ASN 59 Cb 0.48 0.43 -0.04 0.00 0.41 0.00 0.00 41.25 42.53 2yqm s ASN 59 CO -0.03 -0.87 0.01 -1.61 -1.51 0.00 0.00 177.10 173.09 2yqm s GLU 60 N -3.94 0.77 -0.27 -0.60 2.02 -1.26 -1.09 118.70 114.33 2yqm s GLU 60 Ca 0.14 -1.33 -0.25 0.00 0.02 0.00 0.00 54.97 53.55 2yqm s GLU 60 Cb 0.03 0.21 0.07 0.00 0.10 0.00 0.00 34.13 34.54 2yqm s GLU 60 CO -0.02 -0.18 0.73 -1.17 0.02 0.00 0.00 175.26 174.64 2yqm s LEU 61 N -2.99 -0.74 -0.65 1.80 2.96 -1.01 -4.93 118.68 113.13 2yqm s LEU 61 Ca 0.15 1.42 -0.27 0.00 -0.22 0.00 0.00 54.13 55.21 2yqm s LEU 61 Cb 0.08 2.45 0.03 0.00 0.50 0.00 0.00 46.19 49.25 2yqm s LEU 61 CO -0.04 -0.25 1.19 0.00 -1.32 0.00 0.00 176.35 175.92 2yqm s ALA 62 N 0.36 2.92 0.39 5.97 0.00 -1.26 -3.03 121.76 127.10 2yqm s ALA 62 Ca 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 51.96 50.75 2yqm s ALA 62 Cb -0.05 -4.09 -0.04 0.00 0.00 0.00 0.00 23.12 18.94 2yqm s ALA 62 CO 0.01 -2.91 0.64 -0.51 0.00 0.00 0.00 175.76 172.99 2yqm s LEU 63 N 5.12 3.87 0.35 0.00 1.43 -1.26 -4.95 118.68 123.24 2yqm s LEU 63 Ca 0.37 0.68 0.27 0.00 -1.03 0.00 0.00 54.13 54.42 2yqm s LEU 63 Cb -0.09 -3.58 1.12 0.00 0.03 0.00 0.00 46.19 43.68 2yqm s LEU 63 CO 0.19 -0.39 1.80 1.55 0.23 0.00 0.00 176.35 179.74 2yqm h PRO 64 N 0.70 0.00 0.01 1.29 0.13 -1.98 -3.16 132.00 128.99 2yqm h PRO 64 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2yqm h PRO 64 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2yqm h PRO 64 CO 0.62 0.00 -0.01 1.03 -0.23 0.00 0.00 178.00 179.42 2yqm h SER 65 N 0.00 -0.01 -2.66 1.44 0.87 -1.98 -3.46 113.55 107.75 2yqm h SER 65 Ca 0.00 -0.78 -0.55 0.00 -1.23 0.00 0.00 61.79 59.23 2yqm h SER 65 Cb 0.40 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 2yqm h SER 65 CO 0.00 0.80 -0.44 -0.31 -0.53 0.00 0.00 176.83 176.35 2yqm s TYR 66 N -2.81 3.49 0.12 2.24 2.02 -1.19 -5.03 117.35 116.19 2yqm s TYR 66 Ca -0.17 0.18 -0.13 0.00 -0.37 0.00 0.00 57.07 56.59 2yqm s TYR 66 Cb -0.01 -1.72 -0.06 0.00 -0.40 0.00 0.00 41.96 39.77 2yqm s TYR 66 CO 0.64 0.50 1.45 -1.00 -1.57 0.00 0.00 175.55 175.57 2yqm h PRO 67 N 2.25 0.84 -6.29 -1.71 0.13 -1.89 -3.39 132.00 121.94 2yqm h PRO 67 Ca -0.48 -0.45 -0.59 0.00 -0.87 0.00 0.00 66.00 63.62 2yqm h PRO 67 Cb 1.19 0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 2yqm h PRO 67 CO 0.70 1.09 -0.67 -1.59 -0.23 0.00 0.00 178.00 177.29 2yqm s LYS 68 N -4.38 2.21 -0.04 0.86 -2.85 -1.26 -4.94 119.74 109.34 2yqm s LYS 68 Ca -0.12 -1.36 -0.30 0.00 -1.00 0.00 0.00 55.97 53.20 2yqm s LYS 68 Cb 0.10 -2.16 -0.05 0.00 -2.06 0.00 0.00 37.83 33.66 2yqm s LYS 68 CO 0.86 0.39 1.48 -1.25 0.10 0.00 0.00 175.35 176.93 2yqm s PRO 69 N -3.34 4.24 0.54 1.78 0.04 -1.26 -4.62 135.00 132.38 2yqm s PRO 69 Ca 0.29 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.43 2yqm s PRO 69 Cb -0.07 -3.74 0.07 0.00 0.04 0.00 0.00 34.50 30.80 2yqm s PRO 69 CO 0.18 -0.69 0.69 0.14 0.04 0.00 0.00 177.00 177.36 2yqm s VAL 70 N 3.11 2.20 -0.07 -0.36 -7.23 -1.17 -4.68 120.40 112.19 2yqm s VAL 70 Ca 0.66 -1.09 -0.29 0.00 -1.81 0.00 0.00 61.98 59.45 2yqm s VAL 70 Cb -0.31 -2.28 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 2yqm s VAL 70 CO 0.26 0.00 0.98 -0.60 -0.31 0.00 0.00 175.10 175.43 2yqm s ARG 71 N -4.55 4.46 0.43 4.82 3.52 -1.26 -2.40 118.95 123.97 2yqm s ARG 71 Ca 0.56 1.37 0.03 0.00 -0.13 0.00 0.00 55.73 57.56 2yqm s ARG 71 Cb -0.06 -3.51 -0.02 0.00 -1.56 0.00 0.00 34.95 29.80 2yqm s ARG 71 CO 0.35 -0.22 0.10 0.14 -0.81 0.00 0.00 175.30 174.86 2yqm s VAL 72 N 1.65 0.75 0.23 7.11 -7.23 -0.25 -4.25 120.40 118.41 2yqm s VAL 72 Ca 0.49 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.62 2yqm s VAL 72 Cb -0.19 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 2yqm s VAL 72 CO 0.21 0.00 0.47 0.00 -0.31 0.00 0.00 175.10 175.47 2yqm h ASP 74 N 2.00 0.00 0.34 0.00 1.82 -1.67 0.19 116.42 119.11 2yqm h ASP 74 Ca -0.47 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.13 2yqm h ASP 74 Cb 1.19 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.19 2yqm h ASP 74 CO 0.68 0.00 -0.17 -1.28 -1.61 0.00 0.00 179.24 176.86 2yqm h SER 75 N 0.00 0.00 0.02 2.28 0.87 -1.93 -1.40 113.55 113.38 2yqm h SER 75 Ca 0.15 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.33 2yqm h SER 75 Cb 0.66 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.56 2yqm h SER 75 CO -0.00 0.17 -2.42 0.00 -0.53 0.00 0.00 176.83 174.05 2yqm h HIS 77 N 0.01 -0.03 -0.13 0.00 6.17 -0.74 0.14 115.15 120.57 2yqm h HIS 77 Ca -0.56 0.00 -0.09 0.00 0.71 0.00 0.00 60.37 60.43 2yqm h HIS 77 Cb 1.94 0.01 -0.01 0.00 2.52 0.00 0.00 27.41 31.87 2yqm h HIS 77 CO 0.03 -0.02 -0.34 1.15 0.71 0.00 0.00 177.93 179.47 2yqm h THR 78 N -0.03 1.28 0.35 6.26 2.02 -1.48 -1.88 112.91 119.42 2yqm h THR 78 Ca 0.00 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 65.82 2yqm h THR 78 Cb 0.03 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 2yqm h THR 78 CO -0.01 0.40 -0.17 0.25 0.37 0.00 0.00 175.52 176.37 2yqm h LEU 79 N 0.22 -0.39 -1.27 2.58 5.85 -1.55 -1.61 115.31 119.14 2yqm h LEU 79 Ca 0.03 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.65 2yqm h LEU 79 Cb 0.71 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 2yqm h LEU 79 CO 0.05 0.02 0.52 -0.07 -0.34 0.00 0.00 178.44 178.63 2yqm h LEU 80 N -0.90 0.78 -1.13 2.25 3.38 -0.74 -0.38 115.31 118.58 2yqm h LEU 80 Ca -0.05 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 2yqm h LEU 80 Cb 0.53 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2yqm h LEU 80 CO 0.08 0.51 -0.39 -0.07 0.09 0.00 0.00 178.44 178.66 2yqm h LEU 81 N 0.89 0.00 -4.11 1.67 3.38 -1.34 -3.02 115.31 112.78 2yqm h LEU 81 Ca 0.34 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.65 2yqm h LEU 81 Cb 0.20 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.63 2yqm h LEU 81 CO -0.12 0.39 0.51 0.00 0.09 0.00 0.00 178.44 179.31 2yqm n GLN 82 N -3.79 2.91 -4.47 1.13 1.13 -0.17 -4.98 117.38 109.15 2yqm n GLN 82 Ca -0.01 -3.54 -0.31 0.00 -1.94 0.00 0.00 57.00 51.20 2yqm n GLN 82 Cb 0.46 -2.28 -0.06 0.00 0.11 0.00 0.00 30.24 28.47 2yqm n GLN 82 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2yqm n ARG 83 N -0.81 0.79 -2.32 -1.09 0.63 -1.07 -4.95 116.66 107.85 2yqm n ARG 83 Ca 0.57 -3.55 -0.42 0.00 -0.92 0.00 0.00 57.85 53.54 2yqm n ARG 83 Cb 0.66 0.87 -0.03 0.00 0.45 0.00 0.00 32.46 34.41 2yqm n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2yqm s SER 85 N 0.88 7.05 -0.49 0.00 0.15 -1.26 -5.00 113.70 115.03 2yqm s SER 85 Ca 0.60 2.23 -0.20 0.00 0.70 0.00 0.00 55.95 59.28 2yqm s SER 85 Cb -0.33 -2.62 0.05 0.00 -1.71 0.00 0.00 66.02 61.41 2yqm s SER 85 CO 0.31 -0.30 0.68 -0.94 1.20 0.00 0.00 173.24 174.19 2yqm s SER 86 N -1.06 6.27 0.11 5.45 1.04 -1.26 -5.05 113.70 119.19 2yqm s SER 86 Ca 0.49 -0.67 -0.13 0.00 0.48 0.00 0.00 55.95 56.13 2yqm s SER 86 Cb -0.30 -2.32 -0.06 0.00 0.10 0.00 0.00 66.02 63.44 2yqm s SER 86 CO 0.38 -0.91 0.48 0.42 0.98 0.00 0.00 173.24 174.59 2yqm s THR 87 N 2.88 4.96 -0.52 2.02 -4.23 -1.26 -4.59 115.64 114.91 2yqm s THR 87 Ca 0.19 0.68 -0.14 0.00 -1.18 0.00 0.00 61.69 61.25 2yqm s THR 87 Cb -0.17 -3.70 0.02 0.00 1.34 0.00 0.00 72.50 69.99 2yqm s THR 87 CO 0.15 0.29 0.63 0.00 -0.54 0.00 0.00 174.62 175.15 2yqm n ALA 88 N 0.94 -2.82 1.39 3.99 0.00 -1.26 -5.34 120.51 117.42 2yqm n ALA 88 Ca -0.07 0.77 0.14 0.00 0.00 0.00 0.00 53.44 54.27 2yqm n ALA 88 Cb 0.52 -3.00 0.43 0.00 0.00 0.00 0.00 19.45 17.41 2yqm n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95