#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqo s SER -5 N 0.00 4.81 -0.01 1.61 1.04 -1.26 -5.09 113.70 114.80 2cqo s SER -5 Ca 0.00 -0.26 0.06 0.00 0.48 0.00 0.00 55.95 56.23 2cqo s SER -5 Cb 0.00 -1.85 -0.02 0.00 0.10 0.00 0.00 66.02 64.26 2cqo s SER -5 CO 0.00 -0.01 -0.20 -0.55 0.98 0.00 0.00 173.24 173.46 2cqo s SER -4 N 1.45 2.35 -0.32 7.02 0.15 -1.26 -5.05 113.70 118.04 2cqo s SER -4 Ca 0.05 -0.38 0.01 0.00 0.70 0.00 0.00 55.95 56.32 2cqo s SER -4 Cb -0.15 -0.25 0.30 0.00 -1.71 0.00 0.00 66.02 64.21 2cqo s SER -4 CO 0.01 0.23 1.32 0.61 1.20 0.00 0.00 173.24 176.61 2cqo n GLY -3 N 2.48 -1.67 3.91 9.45 0.00 -1.26 -5.17 105.19 112.93 2cqo n GLY -3 Ca -0.15 0.96 -0.28 0.00 0.00 0.00 0.00 46.02 46.55 2cqo n GLY -3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqo s SER -2 N -0.20 5.92 0.11 1.61 0.01 -1.26 -4.97 113.70 114.91 2cqo s SER -2 Ca 0.23 0.89 -0.31 0.00 1.31 0.00 0.00 55.95 58.07 2cqo s SER -2 Cb 0.25 -2.01 -0.17 0.00 0.21 0.00 0.00 66.02 64.29 2cqo s SER -2 CO -0.14 -0.86 0.72 -1.20 0.41 0.00 0.00 173.24 172.17 2cqo n SER -1 N -2.49 -0.67 -3.07 2.44 7.64 -1.26 -4.93 113.62 111.29 2cqo n SER -1 Ca 0.03 1.08 -0.19 0.00 1.01 0.00 0.00 58.87 60.80 2cqo n SER -1 Cb 0.56 -0.88 -0.04 0.00 -1.01 0.00 0.00 64.21 62.84 2cqo n SER -1 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cqo n GLY 0 N 1.68 1.92 3.43 0.23 0.00 -1.26 -5.07 105.19 106.11 2cqo n GLY 0 Ca 0.18 -1.01 -0.44 0.00 0.00 0.00 0.00 46.02 44.74 2cqo n GLY 0 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2cqo s MET 1 N -0.52 3.31 0.03 1.61 1.75 -1.26 -5.02 119.30 119.20 2cqo s MET 1 Ca 0.34 -1.39 0.03 0.00 -1.25 0.00 0.00 55.69 53.42 2cqo s MET 1 Cb 0.17 -4.52 -0.04 0.00 2.84 0.00 0.00 34.83 33.29 2cqo s MET 1 CO -0.15 -1.71 -0.03 -0.80 -0.65 0.00 0.00 175.02 171.68 2cqo s ASN 2 N 3.57 4.90 -0.01 1.11 -0.87 -1.26 -5.12 114.94 117.26 2cqo s ASN 2 Ca 0.24 -0.12 0.02 0.00 -1.57 0.00 0.00 52.86 51.43 2cqo s ASN 2 Cb -0.13 -1.19 -0.00 0.00 -0.02 0.00 0.00 41.25 39.90 2cqo s ASN 2 CO 0.01 0.25 -0.08 -0.94 -2.57 0.00 0.00 177.10 173.76 2cqo s SER 3 N -1.76 0.99 0.00 -1.22 1.04 -1.26 -4.97 113.70 106.52 2cqo s SER 3 Ca 0.21 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2cqo s SER 3 Cb -0.11 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.85 2cqo s SER 3 CO 0.12 0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.04 2cqo n GLY 4 N 3.00 -0.05 3.83 7.32 0.00 -1.26 -5.07 105.19 112.96 2cqo n GLY 4 Ca -0.15 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 2cqo n GLY 4 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cqo s ARG 5 N -1.04 4.08 0.45 1.61 3.00 -1.26 -5.05 118.95 120.73 2cqo s ARG 5 Ca 0.00 0.65 -0.23 0.00 0.00 0.00 0.00 55.73 56.15 2cqo s ARG 5 Cb 0.00 -2.84 -0.08 0.00 0.00 0.00 0.00 34.95 32.03 2cqo s ARG 5 CO 0.00 0.40 1.17 -1.25 0.00 0.00 0.00 175.30 175.62 2cqo s PRO 6 N -2.12 3.80 -0.35 3.54 0.04 -1.26 -4.91 135.00 133.74 2cqo s PRO 6 Ca 0.42 1.79 -0.27 0.00 0.04 0.00 0.00 61.00 62.98 2cqo s PRO 6 Cb -0.15 -2.45 -0.05 0.00 0.04 0.00 0.00 34.50 31.89 2cqo s PRO 6 CO 0.20 -0.52 2.22 -1.21 0.04 0.00 0.00 177.00 177.73 2cqo s GLU 7 N -2.63 2.76 0.04 4.56 2.02 -1.26 -4.93 118.70 119.26 2cqo s GLU 7 Ca 0.62 1.67 0.00 0.00 0.02 0.00 0.00 54.97 57.29 2cqo s GLU 7 Cb -0.29 -4.43 -0.03 0.00 0.10 0.00 0.00 34.13 29.48 2cqo s GLU 7 CO 0.35 -2.53 -0.04 -0.08 0.02 0.00 0.00 175.26 172.99 2cqo s THR 8 N 9.57 0.30 -0.45 3.63 -1.32 -1.26 -5.09 115.64 121.02 2cqo s THR 8 Ca 0.96 -1.39 -0.43 0.00 -1.21 0.00 0.00 61.69 59.62 2cqo s THR 8 Cb -0.25 -0.95 -0.18 0.00 -1.51 0.00 0.00 72.50 69.61 2cqo s THR 8 CO 0.31 -0.71 1.96 0.80 -2.21 0.00 0.00 174.62 174.77 2cqo n MET 9 N 0.84 0.31 -0.12 7.08 1.56 -1.26 -4.81 117.12 120.72 2cqo n MET 9 Ca -0.19 0.10 -0.17 0.00 -0.27 0.00 0.00 57.70 57.17 2cqo n MET 9 Cb 0.58 -1.72 -0.11 0.00 2.15 0.00 0.00 33.22 34.12 2cqo n MET 9 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2cqo n GLU 10 N 6.44 0.57 -0.30 2.12 1.02 -1.26 -4.62 120.64 124.61 2cqo n GLU 10 Ca 0.43 0.15 -0.08 0.00 -0.02 0.00 0.00 57.16 57.64 2cqo n GLU 10 Cb 0.02 -1.46 -0.07 0.00 -0.02 0.00 0.00 31.44 29.91 2cqo n GLU 10 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2cqo n ASN 11 N -3.29 -0.75 -4.23 1.62 2.85 -1.26 -4.52 115.26 105.67 2cqo n ASN 11 Ca -0.42 1.46 -0.36 0.00 -0.11 0.00 0.00 54.58 55.15 2cqo n ASN 11 Cb 0.93 -0.26 0.06 0.00 1.24 0.00 0.00 39.78 41.74 2cqo n ASN 11 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2cqo n LEU 12 N -4.65 -2.91 0.00 1.20 4.77 -1.26 -4.96 117.00 109.18 2cqo n LEU 12 Ca 0.01 0.39 -0.22 0.00 -0.03 0.00 0.00 56.01 56.16 2cqo n LEU 12 Cb 0.18 -0.97 0.18 0.00 -2.33 0.00 0.00 43.42 40.49 2cqo n LEU 12 CO -0.11 -4.68 0.44 -0.81 -1.33 0.00 0.00 177.39 170.89 2cqo n PRO 13 N 0.75 -2.58 -2.49 3.23 -0.04 -1.26 -5.07 135.00 127.54 2cqo n PRO 13 Ca 0.04 -1.27 -0.25 0.00 -0.04 0.00 0.00 63.50 61.98 2cqo n PRO 13 Cb 0.53 -1.19 0.14 0.00 -0.04 0.00 0.00 33.50 32.93 2cqo n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cqo s ALA 14 N -3.00 3.45 0.54 0.55 0.00 -1.26 -5.02 121.76 117.01 2cqo s ALA 14 Ca 0.52 -1.76 -0.20 0.00 0.00 0.00 0.00 51.96 50.52 2cqo s ALA 14 Cb -0.05 -2.09 -0.06 0.00 0.00 0.00 0.00 23.12 20.92 2cqo s ALA 14 CO 0.40 -1.76 1.15 -1.17 0.00 0.00 0.00 175.76 174.38 2cqo s LEU 15 N -5.33 3.78 -1.50 0.00 2.96 -1.26 -2.80 118.68 114.54 2cqo s LEU 15 Ca 0.70 2.24 0.00 0.00 -0.22 0.00 0.00 54.13 56.84 2cqo s LEU 15 Cb -0.04 -4.53 0.00 0.00 0.50 0.00 0.00 46.19 42.12 2cqo s LEU 15 CO 0.47 -1.24 0.00 -1.22 -1.32 0.00 0.00 176.35 173.04 2cqo n TYR 16 N -1.21 -0.76 -2.96 5.38 4.01 -0.17 -4.92 117.16 116.52 2cqo n TYR 16 Ca 0.11 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.45 2cqo n TYR 16 Cb 0.50 -3.05 -0.05 0.00 -0.31 0.00 0.00 39.34 36.44 2cqo n TYR 16 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2cqo s THR 17 N -2.56 4.75 -0.20 -0.72 2.01 -1.12 -4.74 115.64 113.06 2cqo s THR 17 Ca 0.00 1.66 -0.09 0.00 0.31 0.00 0.00 61.69 63.57 2cqo s THR 17 Cb 0.00 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 2cqo s THR 17 CO 0.00 0.34 0.11 -0.63 -0.69 0.00 0.00 174.62 173.76 2cqo s ILE 18 N 0.07 5.16 0.16 1.82 1.01 -1.26 -1.89 121.20 126.26 2cqo s ILE 18 Ca 0.40 0.10 -0.11 0.00 0.00 0.00 0.00 60.65 61.04 2cqo s ILE 18 Cb -0.20 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 38.91 2cqo s ILE 18 CO 0.23 0.42 0.32 0.72 0.00 0.00 0.00 174.94 176.64 2cqo s PHE 19 N 0.56 0.24 -0.20 3.97 -0.12 -0.64 -5.01 117.98 116.78 2cqo s PHE 19 Ca 0.06 -0.61 -0.13 0.00 -0.05 0.00 0.00 56.93 56.20 2cqo s PHE 19 Cb -0.12 0.04 -0.05 0.00 -0.63 0.00 0.00 43.02 42.26 2cqo s PHE 19 CO 0.00 -0.73 0.27 -1.14 -0.05 0.00 0.00 175.22 173.58 2cqo s GLN 20 N -3.93 4.17 0.14 1.99 0.74 -1.26 -1.28 119.66 120.23 2cqo s GLN 20 Ca 0.13 -0.00 0.01 0.00 0.05 0.00 0.00 55.36 55.55 2cqo s GLN 20 Cb 0.03 -3.49 -0.04 0.00 1.10 0.00 0.00 33.01 30.60 2cqo s GLN 20 CO -0.03 0.11 0.01 0.20 -0.55 0.00 0.00 175.29 175.03 2cqo s GLY 21 N 0.81 1.03 0.04 2.59 0.00 0.15 -4.21 107.32 107.73 2cqo s GLY 21 Ca 0.14 -1.49 0.05 0.00 0.00 0.00 0.00 44.72 43.42 2cqo s GLY 21 CO 0.05 -1.45 -0.08 1.85 0.00 0.00 0.00 173.10 173.47 2cqo s GLU 22 N -3.95 2.39 -0.04 2.90 2.12 -1.21 -0.38 118.70 120.53 2cqo s GLU 22 Ca 0.21 -0.84 -0.30 0.00 0.36 0.00 0.00 54.97 54.40 2cqo s GLU 22 Cb 0.07 -2.42 -0.04 0.00 0.26 0.00 0.00 34.13 31.99 2cqo s GLU 22 CO 0.01 0.56 1.24 0.08 -0.54 0.00 0.00 175.26 176.61 2cqo s VAL 23 N -1.08 4.14 -0.01 3.70 1.01 -0.57 -1.25 120.40 126.33 2cqo s VAL 23 Ca 0.19 1.48 0.07 0.00 0.00 0.00 0.00 61.98 63.72 2cqo s VAL 23 Cb -0.11 -3.95 -0.11 0.00 0.00 0.00 0.00 36.38 32.20 2cqo s VAL 23 CO 0.10 0.00 0.15 0.00 0.00 0.00 0.00 175.10 175.36 2cqo n ALA 24 N 5.18 2.24 -3.42 5.51 0.00 -0.80 -1.78 120.51 127.44 2cqo n ALA 24 Ca 0.11 -0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 2cqo n ALA 24 Cb 0.46 -0.23 -0.12 0.00 0.00 0.00 0.00 19.45 19.55 2cqo n ALA 24 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2cqo s MET 25 N -2.49 0.24 -0.15 0.00 1.75 -1.24 -4.90 119.30 112.51 2cqo s MET 25 Ca -0.03 0.43 0.02 0.00 -1.25 0.00 0.00 55.69 54.86 2cqo s MET 25 Cb 0.05 0.01 0.01 0.00 2.84 0.00 0.00 34.83 37.74 2cqo s MET 25 CO 0.31 -0.10 -0.21 0.08 -0.65 0.00 0.00 175.02 174.45 2cqo s VAL 26 N 0.68 2.13 0.20 10.11 1.01 -1.26 -0.48 120.40 132.79 2cqo s VAL 26 Ca -0.05 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.05 2cqo s VAL 26 Cb -0.06 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 2cqo s VAL 26 CO -0.04 0.54 -0.11 0.42 0.00 0.00 0.00 175.10 175.91 2cqo s THR 27 N 0.92 1.52 -1.26 3.92 -4.23 0.17 -5.00 115.64 111.67 2cqo s THR 27 Ca -0.04 -2.15 0.15 0.00 -1.18 0.00 0.00 61.69 58.47 2cqo s THR 27 Cb -0.15 -2.06 0.21 0.00 1.34 0.00 0.00 72.50 71.85 2cqo s THR 27 CO -0.04 -0.59 1.45 -0.90 -0.54 0.00 0.00 174.62 174.00 2cqo n ASP 28 N -0.35 0.00 -0.41 3.99 5.75 -1.26 -1.81 116.55 122.46 2cqo n ASP 28 Ca -0.08 0.23 0.04 0.00 -0.01 0.00 0.00 54.79 54.97 2cqo n ASP 28 Cb 0.61 -0.37 0.10 0.00 -1.03 0.00 0.00 41.12 40.44 2cqo n ASP 28 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cqo n TYR 29 N -1.37 0.31 -0.29 2.11 0.18 -1.26 -4.77 117.16 112.08 2cqo n TYR 29 Ca 0.06 -0.54 0.00 0.00 1.88 0.00 0.00 57.90 59.30 2cqo n TYR 29 Cb 0.14 -0.06 0.00 0.00 -0.38 0.00 0.00 39.34 39.05 2cqo n TYR 29 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2cqo n GLY 30 N 0.03 0.84 3.10 -7.48 0.00 -0.75 -1.60 105.19 99.34 2cqo n GLY 30 Ca 0.08 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.15 2cqo n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqo s ALA 31 N -1.00 -0.19 -0.12 4.61 0.00 -0.72 0.41 121.76 124.76 2cqo s ALA 31 Ca 0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 51.96 51.48 2cqo s ALA 31 Cb 0.00 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.24 2cqo s ALA 31 CO 0.00 -0.25 0.36 -0.06 0.00 0.00 0.00 175.76 175.82 2cqo s PHE 32 N -1.86 3.53 -0.12 0.00 0.40 0.36 -0.46 117.98 119.83 2cqo s PHE 32 Ca -0.11 0.75 0.00 0.00 -0.60 0.00 0.00 56.93 56.97 2cqo s PHE 32 Cb -0.05 -2.38 -0.02 0.00 0.51 0.00 0.00 43.02 41.08 2cqo s PHE 32 CO -0.01 0.30 -0.13 0.42 0.70 0.00 0.00 175.22 176.50 2cqo s ILE 33 N 0.19 3.07 -0.11 0.64 -1.09 -0.31 -1.91 121.20 121.69 2cqo s ILE 33 Ca 0.21 -0.66 -0.24 0.00 -2.23 0.00 0.00 60.65 57.72 2cqo s ILE 33 Cb -0.14 -2.28 -0.03 0.00 -1.58 0.00 0.00 42.46 38.43 2cqo s ILE 33 CO 0.07 0.53 0.75 -0.54 -1.23 0.00 0.00 174.94 174.53 2cqo s LYS 34 N 0.20 4.38 -0.07 2.79 1.02 -0.38 -2.47 119.74 125.21 2cqo s LYS 34 Ca -0.08 0.92 -0.23 0.00 0.02 0.00 0.00 55.97 56.60 2cqo s LYS 34 Cb -0.15 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.62 2cqo s LYS 34 CO 0.05 -0.09 0.69 0.42 -0.92 0.00 0.00 175.35 175.50 2cqo s ILE 35 N 1.33 5.05 -0.07 2.17 1.01 -1.26 -3.31 121.20 126.11 2cqo s ILE 35 Ca 0.38 1.42 -0.30 0.00 0.00 0.00 0.00 60.65 62.15 2cqo s ILE 35 Cb -0.17 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 2cqo s ILE 35 CO 0.16 0.26 1.51 -2.16 0.00 0.00 0.00 174.94 174.71 2cqo s PRO 36 N 0.76 4.21 0.00 2.79 0.04 -1.26 -2.88 135.00 138.66 2cqo s PRO 36 Ca 0.37 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.42 2cqo s PRO 36 Cb -0.18 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.51 2cqo s PRO 36 CO 0.18 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.86 2cqo n GLY 37 N 3.91 0.95 3.41 0.56 0.00 -1.26 -5.07 105.19 107.69 2cqo n GLY 37 Ca 0.16 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 2cqo n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqo n ARG 39 N -0.52 1.66 -3.49 0.00 0.63 -1.26 -4.90 116.66 108.79 2cqo n ARG 39 Ca 0.02 -0.03 -0.30 0.00 -0.92 0.00 0.00 57.85 56.62 2cqo n ARG 39 Cb 0.62 -1.13 -0.04 0.00 0.45 0.00 0.00 32.46 32.36 2cqo n ARG 39 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2cqo s LYS 40 N -2.26 3.68 0.12 -0.14 -0.14 -1.26 -5.05 119.74 114.69 2cqo s LYS 40 Ca -0.02 0.04 0.10 0.00 -1.36 0.00 0.00 55.97 54.73 2cqo s LYS 40 Cb 0.03 -2.72 -0.04 0.00 -1.68 0.00 0.00 37.83 33.42 2cqo s LYS 40 CO 0.22 0.34 -0.25 -0.65 -0.76 0.00 0.00 175.35 174.24 2cqo s GLN 41 N -3.03 1.35 0.20 1.68 -0.21 -1.26 -4.23 119.66 114.17 2cqo s GLN 41 Ca 0.44 -1.29 0.06 0.00 0.02 0.00 0.00 55.36 54.58 2cqo s GLN 41 Cb -0.11 -1.78 -0.04 0.00 1.00 0.00 0.00 33.01 32.08 2cqo s GLN 41 CO 0.25 0.42 0.20 0.20 -2.12 0.00 0.00 175.29 174.24 2cqo s GLY 42 N -1.98 1.55 -0.08 3.09 0.00 -1.03 -4.80 107.32 104.07 2cqo s GLY 42 Ca 0.12 -1.27 -0.02 0.00 0.00 0.00 0.00 44.72 43.54 2cqo s GLY 42 CO 0.05 -1.29 0.03 -2.27 0.00 0.00 0.00 173.10 169.62 2cqo s LEU 43 N -3.48 3.74 -0.30 0.66 2.96 -0.93 -1.16 118.68 120.16 2cqo s LEU 43 Ca 0.32 0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 54.38 2cqo s LEU 43 Cb -0.09 -1.91 0.04 0.00 0.50 0.00 0.00 46.19 44.72 2cqo s LEU 43 CO 0.25 0.37 0.03 -0.69 -1.32 0.00 0.00 176.35 174.99 2cqo s VAL 44 N -0.95 3.34 0.58 1.68 1.01 0.39 -0.21 120.40 126.24 2cqo s VAL 44 Ca 0.15 -1.17 -0.19 0.00 0.00 0.00 0.00 61.98 60.77 2cqo s VAL 44 Cb -0.11 -2.85 -0.06 0.00 0.00 0.00 0.00 36.38 33.35 2cqo s VAL 44 CO 0.04 -0.06 0.91 1.57 0.00 0.00 0.00 175.10 177.55 2cqo n HIS 45 N 4.72 0.64 0.02 5.22 -0.00 -1.26 -1.76 115.22 122.81 2cqo n HIS 45 Ca -0.14 0.45 0.04 0.00 0.46 0.00 0.00 57.72 58.53 2cqo n HIS 45 Cb 0.45 -2.12 0.44 0.00 -0.12 0.00 0.00 29.99 28.64 2cqo n HIS 45 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 2cqo h ARG 46 N 0.55 0.50 0.00 1.57 0.11 -1.64 -0.31 114.38 115.16 2cqo h ARG 46 Ca -0.48 -0.03 -0.03 0.00 0.10 0.00 0.00 59.98 59.54 2cqo h ARG 46 Cb 1.37 -0.11 -0.00 0.00 1.11 0.00 0.00 29.97 32.33 2cqo h ARG 46 CO 0.51 0.33 -0.13 0.00 0.10 0.00 0.00 179.97 180.78 2cqo h THR 47 N 0.52 0.33 0.00 0.08 1.03 -1.87 -2.60 112.91 110.39 2cqo h THR 47 Ca 0.14 -0.87 0.00 0.00 -0.01 0.00 0.00 66.41 65.67 2cqo h THR 47 Cb -0.06 1.66 0.00 0.00 -1.07 0.00 0.00 68.15 68.69 2cqo h THR 47 CO -0.03 0.13 -0.75 1.41 -0.01 0.00 0.00 175.52 176.27 2cqo n HIS 48 N -3.28 0.04 -0.05 0.00 8.25 -0.23 -4.12 115.22 115.83 2cqo n HIS 48 Ca 0.00 0.01 -0.07 0.00 -0.26 0.00 0.00 57.72 57.40 2cqo n HIS 48 Cb 0.38 -0.19 0.11 0.00 1.12 0.00 0.00 29.99 31.41 2cqo n HIS 48 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 2cqo h MET 49 N 0.00 0.68 -2.76 -0.41 2.07 -0.87 0.19 114.93 113.84 2cqo h MET 49 Ca 0.00 -0.29 -0.11 0.00 -2.07 0.00 0.00 59.70 57.23 2cqo h MET 49 Cb 0.53 -0.02 -0.21 0.00 -1.87 0.00 0.00 31.60 30.03 2cqo h MET 49 CO 0.00 0.88 -0.18 0.45 1.07 0.00 0.00 176.91 179.13 2cqo s SER 50 N -6.79 -0.36 0.02 1.22 0.15 -1.25 -4.30 113.70 102.40 2cqo s SER 50 Ca -0.09 0.48 -0.20 0.00 0.70 0.00 0.00 55.95 56.85 2cqo s SER 50 Cb 0.13 0.56 -0.18 0.00 -1.71 0.00 0.00 66.02 64.82 2cqo s SER 50 CO 0.83 -0.35 1.22 0.77 1.20 0.00 0.00 173.24 176.90 2cqo h SER 51 N 4.36 0.49 -2.44 5.45 4.64 -1.88 -3.43 113.55 120.74 2cqo h SER 51 Ca -0.28 -0.63 -0.26 0.00 -0.47 0.00 0.00 61.79 60.14 2cqo h SER 51 Cb 1.17 -0.14 0.15 0.00 -0.31 0.00 0.00 62.40 63.27 2cqo h SER 51 CO 0.33 1.04 -0.09 0.00 -0.87 0.00 0.00 176.83 177.25 2cqo s ARG 53 N -4.53 2.31 -0.36 0.00 3.52 -1.26 -4.92 118.95 113.71 2cqo s ARG 53 Ca 0.48 1.15 -0.27 0.00 -0.13 0.00 0.00 55.73 56.96 2cqo s ARG 53 Cb -0.08 -4.51 0.02 0.00 -1.56 0.00 0.00 34.95 28.82 2cqo s ARG 53 CO 0.40 -3.06 0.98 0.08 -0.81 0.00 0.00 175.30 172.89 2cqo s VAL 54 N 11.03 4.55 -0.10 7.11 1.01 -1.26 -4.86 120.40 137.88 2cqo s VAL 54 Ca 0.87 1.38 -0.04 0.00 0.00 0.00 0.00 61.98 64.18 2cqo s VAL 54 Cb -0.16 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 2cqo s VAL 54 CO 0.24 -0.53 -0.12 -0.67 0.00 0.00 0.00 175.10 174.02 2cqo n ASP 55 N 6.84 0.97 -3.90 3.32 -0.08 -1.26 -4.94 116.55 117.49 2cqo n ASP 55 Ca 0.09 0.10 -0.30 0.00 -1.51 0.00 0.00 54.79 53.17 2cqo n ASP 55 Cb 0.48 -0.28 -0.15 0.00 2.34 0.00 0.00 41.12 43.51 2cqo n ASP 55 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2cqo s LYS 56 N -2.18 1.32 0.15 -0.67 -0.14 -1.26 -4.96 119.74 112.01 2cqo s LYS 56 Ca -0.14 -1.78 0.20 0.00 -1.36 0.00 0.00 55.97 52.89 2cqo s LYS 56 Cb 0.05 -2.81 0.83 0.00 -1.68 0.00 0.00 37.83 34.22 2cqo s LYS 56 CO 0.18 -1.00 1.60 -0.35 -0.76 0.00 0.00 175.35 175.03 2cqo n PRO 57 N 4.19 0.11 0.20 -1.68 -0.04 -1.26 -2.23 135.00 134.29 2cqo n PRO 57 Ca 0.03 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 63.97 2cqo n PRO 57 Cb 0.40 -1.72 0.18 0.00 -0.04 0.00 0.00 33.50 32.32 2cqo n PRO 57 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2cqo h SER 58 N 0.00 0.00 0.09 3.54 0.02 -1.83 -3.12 113.55 112.24 2cqo h SER 58 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2cqo h SER 58 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2cqo h SER 58 CO 0.00 0.00 -0.21 -0.62 -1.14 0.00 0.00 176.83 174.86 2cqo n GLU 59 N -3.00 1.31 -0.04 3.45 1.02 -0.95 -4.08 120.64 118.36 2cqo n GLU 59 Ca 0.04 -0.90 -0.16 0.00 -0.02 0.00 0.00 57.16 56.12 2cqo n GLU 59 Cb 0.52 -1.48 -0.14 0.00 -0.02 0.00 0.00 31.44 30.32 2cqo n GLU 59 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2cqo n ILE 60 N -0.06 1.63 -4.12 -3.67 5.41 -1.18 -5.02 119.36 112.36 2cqo n ILE 60 Ca 0.13 -0.70 -0.12 0.00 1.00 0.00 0.00 62.75 63.06 2cqo n ILE 60 Cb 0.41 -1.33 -0.07 0.00 -0.71 0.00 0.00 39.64 37.93 2cqo n ILE 60 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 2cqo s VAL 61 N -2.55 0.00 -0.07 1.39 -7.23 -1.23 -5.15 120.40 105.55 2cqo s VAL 61 Ca -0.19 -1.73 -0.25 0.00 -1.81 0.00 0.00 61.98 58.00 2cqo s VAL 61 Cb 0.07 -2.42 0.06 0.00 0.56 0.00 0.00 36.38 34.65 2cqo s VAL 61 CO 0.76 0.00 0.58 1.51 -0.31 0.00 0.00 175.10 177.64 2cqo s ASP 62 N -3.14 -0.54 -0.36 4.85 -4.77 -1.26 -4.68 116.67 106.77 2cqo s ASP 62 Ca 0.32 0.66 -0.39 0.00 -3.30 0.00 0.00 52.55 49.84 2cqo s ASP 62 Cb 0.03 0.61 -0.15 0.00 -1.09 0.00 0.00 42.92 42.32 2cqo s ASP 62 CO 0.13 -0.50 2.01 0.52 0.70 0.00 0.00 175.17 178.03 2cqo n VAL 63 N 1.33 0.19 0.00 2.11 0.31 -1.26 -1.26 118.33 119.74 2cqo n VAL 63 Ca -0.19 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 2cqo n VAL 63 Cb 0.57 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 2cqo n VAL 63 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2cqo n GLY 64 N 5.85 1.26 3.74 2.92 0.00 -0.73 -5.01 105.19 113.22 2cqo n GLY 64 Ca 0.39 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 2cqo n GLY 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cqo s ASP 65 N -1.02 7.45 -0.18 1.61 1.11 -0.39 -4.82 116.67 120.44 2cqo s ASP 65 Ca 0.00 1.73 -0.08 0.00 0.18 0.00 0.00 52.55 54.38 2cqo s ASP 65 Cb 0.00 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 2cqo s ASP 65 CO 0.00 0.02 0.10 -0.75 1.18 0.00 0.00 175.17 175.72 2cqo s LYS 66 N -0.34 3.95 0.21 8.23 2.20 -1.26 -1.51 119.74 131.21 2cqo s LYS 66 Ca 0.43 -0.26 -0.02 0.00 -0.36 0.00 0.00 55.97 55.75 2cqo s LYS 66 Cb -0.23 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 2cqo s LYS 66 CO 0.28 0.38 0.16 0.14 -0.36 0.00 0.00 175.35 175.95 2cqo s VAL 67 N 0.11 0.00 -0.15 4.02 -7.23 0.49 -4.97 120.40 112.66 2cqo s VAL 67 Ca 0.07 -1.94 -0.11 0.00 -1.81 0.00 0.00 61.98 58.19 2cqo s VAL 67 Cb -0.12 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.30 2cqo s VAL 67 CO -0.00 0.00 0.22 0.26 -0.31 0.00 0.00 175.10 175.27 2cqo s TRP 68 N -4.14 3.49 0.23 2.82 0.52 -1.26 -0.67 118.94 119.92 2cqo s TRP 68 Ca 0.37 0.52 0.05 0.00 0.02 0.00 0.00 56.10 57.07 2cqo s TRP 68 Cb 0.06 -2.20 -0.05 0.00 -1.15 0.00 0.00 33.47 30.13 2cqo s TRP 68 CO 0.12 0.38 -0.06 0.14 0.02 0.00 0.00 176.95 177.55 2cqo s VAL 69 N 0.03 1.35 -0.04 4.03 -7.23 -0.40 -4.60 120.40 113.53 2cqo s VAL 69 Ca 0.14 -2.09 -0.00 0.00 -1.81 0.00 0.00 61.98 58.22 2cqo s VAL 69 Cb -0.12 -2.25 0.03 0.00 0.56 0.00 0.00 36.38 34.59 2cqo s VAL 69 CO 0.03 -0.42 -0.00 -0.75 -0.31 0.00 0.00 175.10 173.64 2cqo s LYS 70 N -3.77 0.44 0.25 4.82 2.20 0.12 -1.62 119.74 122.17 2cqo s LYS 70 Ca 0.26 0.08 -0.30 0.00 -0.36 0.00 0.00 55.97 55.64 2cqo s LYS 70 Cb 0.04 -0.68 -0.11 0.00 -1.51 0.00 0.00 37.83 35.57 2cqo s LYS 70 CO 0.08 -0.19 1.56 -1.17 -0.36 0.00 0.00 175.35 175.27 2cqo s LEU 71 N 1.35 4.36 -0.01 5.43 2.96 -0.79 -0.80 118.68 131.19 2cqo s LEU 71 Ca -0.05 2.79 0.02 0.00 -0.22 0.00 0.00 54.13 56.67 2cqo s LEU 71 Cb -0.13 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 42.91 2cqo s LEU 71 CO -0.02 -0.84 0.03 2.30 -1.32 0.00 0.00 176.35 176.50 2cqo n ILE 72 N 2.74 0.04 -3.36 6.68 -5.35 -0.94 -0.99 119.36 118.18 2cqo n ILE 72 Ca 0.10 -0.05 0.02 0.00 -0.27 0.00 0.00 62.75 62.55 2cqo n ILE 72 Cb 0.38 -0.01 -0.02 0.00 -1.74 0.00 0.00 39.64 38.25 2cqo n ILE 72 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2cqo s GLY 73 N -2.53 -0.87 -0.11 3.28 0.00 -1.22 -4.87 107.32 101.00 2cqo s GLY 73 Ca -0.01 2.09 0.03 0.00 0.00 0.00 0.00 44.72 46.83 2cqo s GLY 73 CO 0.07 3.26 -0.21 1.09 0.00 0.00 0.00 173.10 177.31 2cqo s ARG 74 N 2.87 3.15 -0.09 2.90 1.70 -1.26 -1.46 118.95 126.76 2cqo s ARG 74 Ca 0.09 -0.82 -0.04 0.00 -0.47 0.00 0.00 55.73 54.49 2cqo s ARG 74 Cb -0.14 -2.40 0.05 0.00 -0.57 0.00 0.00 34.95 31.89 2cqo s ARG 74 CO -0.20 0.19 0.20 -1.21 -1.08 0.00 0.00 175.30 173.20 2cqo s GLU 75 N 0.34 0.10 -0.26 3.89 0.41 0.15 -5.04 118.70 118.30 2cqo s GLU 75 Ca -0.17 0.56 -0.01 0.00 -0.41 0.00 0.00 54.97 54.94 2cqo s GLU 75 Cb -0.17 -0.17 0.03 0.00 -1.78 0.00 0.00 34.13 32.04 2cqo s GLU 75 CO 0.08 -0.25 -0.06 1.41 -0.49 0.00 0.00 175.26 175.96 2cqo s MET 76 N 1.90 2.74 0.10 1.61 -2.45 -1.26 0.20 119.30 122.14 2cqo s MET 76 Ca -0.02 -1.04 0.09 0.00 -1.25 0.00 0.00 55.69 53.46 2cqo s MET 76 Cb -0.12 -3.00 -0.04 0.00 1.25 0.00 0.00 34.83 32.92 2cqo s MET 76 CO -0.07 -0.44 -0.18 0.21 1.05 0.00 0.00 175.02 175.59 2cqo s LYS 77 N 1.30 1.85 0.26 4.11 2.20 -0.09 -4.99 119.74 124.38 2cqo s LYS 77 Ca -0.01 -1.13 0.17 0.00 -0.36 0.00 0.00 55.97 54.63 2cqo s LYS 77 Cb -0.17 -2.13 0.92 0.00 -1.51 0.00 0.00 37.83 34.94 2cqo s LYS 77 CO -0.04 0.49 1.51 0.27 -0.36 0.00 0.00 175.35 177.22 2cqo n ASN 78 N 0.98 0.44 -0.05 1.43 6.94 -1.26 -0.98 115.26 122.76 2cqo n ASN 78 Ca -0.16 0.70 -0.12 0.00 -0.02 0.00 0.00 54.58 54.98 2cqo n ASN 78 Cb 0.53 -0.75 -0.14 0.00 -2.36 0.00 0.00 39.78 37.06 2cqo n ASN 78 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2cqo n ASP 79 N -2.09 0.89 -3.61 0.53 8.00 -1.26 -5.03 116.55 113.97 2cqo n ASP 79 Ca -0.01 0.20 -0.04 0.00 0.71 0.00 0.00 54.79 55.65 2cqo n ASP 79 Cb 0.05 0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 2cqo n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cqo s ARG 80 N -2.55 0.26 -0.27 -1.24 1.70 -0.15 -5.14 118.95 111.55 2cqo s ARG 80 Ca -0.12 -0.05 -0.08 0.00 -0.47 0.00 0.00 55.73 55.01 2cqo s ARG 80 Cb 0.07 0.12 -0.02 0.00 -0.57 0.00 0.00 34.95 34.55 2cqo s ARG 80 CO 0.80 -0.10 0.09 0.42 -1.08 0.00 0.00 175.30 175.43 2cqo s ILE 81 N -1.99 4.37 -0.22 4.99 1.01 -1.26 -0.91 121.20 127.19 2cqo s ILE 81 Ca 0.08 -0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.38 2cqo s ILE 81 Cb -0.01 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 2cqo s ILE 81 CO -0.05 0.25 0.07 -0.75 0.00 0.00 0.00 174.94 174.47 2cqo s LYS 82 N 1.61 3.83 -0.03 2.79 2.47 0.13 -4.99 119.74 125.54 2cqo s LYS 82 Ca 0.06 -0.40 0.02 0.00 -1.56 0.00 0.00 55.97 54.08 2cqo s LYS 82 Cb -0.16 -3.29 0.01 0.00 -1.46 0.00 0.00 37.83 32.93 2cqo s LYS 82 CO 0.04 0.04 -0.06 0.14 0.16 0.00 0.00 175.35 175.67 2cqo s VAL 83 N 1.02 0.58 -0.05 4.02 -7.23 -1.26 -0.67 120.40 116.80 2cqo s VAL 83 Ca 0.04 -0.20 0.04 0.00 -1.81 0.00 0.00 61.98 60.05 2cqo s VAL 83 Cb -0.14 -0.56 -0.00 0.00 0.56 0.00 0.00 36.38 36.24 2cqo s VAL 83 CO 0.03 0.21 -0.18 -0.44 -0.31 0.00 0.00 175.10 174.41 2cqo s SER 84 N 0.53 2.24 0.24 4.85 0.01 -0.53 -2.19 113.70 118.84 2cqo s SER 84 Ca -0.07 -0.37 0.08 0.00 1.31 0.00 0.00 55.95 56.90 2cqo s SER 84 Cb -0.11 -0.66 -0.05 0.00 0.21 0.00 0.00 66.02 65.41 2cqo s SER 84 CO 0.00 0.15 -0.13 -0.76 0.41 0.00 0.00 173.24 172.91 2cqo s LEU 85 N 0.07 2.55 0.01 2.44 1.43 0.71 -2.20 118.68 123.68 2cqo s LEU 85 Ca -0.05 -1.07 0.02 0.00 -1.03 0.00 0.00 54.13 52.00 2cqo s LEU 85 Cb -0.12 -0.75 -0.01 0.00 0.03 0.00 0.00 46.19 45.34 2cqo s LEU 85 CO 0.03 -0.18 -0.07 -0.55 0.23 0.00 0.00 176.35 175.81 2cqo s SER 86 N -3.39 0.81 -0.07 2.29 0.15 0.02 -4.03 113.70 109.49 2cqo s SER 86 Ca 0.26 -0.23 0.07 0.00 0.70 0.00 0.00 55.95 56.74 2cqo s SER 86 Cb -0.00 -0.05 -0.09 0.00 -1.71 0.00 0.00 66.02 64.16 2cqo s SER 86 CO 0.10 0.01 0.03 0.23 1.20 0.00 0.00 173.24 174.80 2cqo n MET 87 N 2.52 2.73 0.31 5.44 2.81 -1.06 0.12 117.12 130.00 2cqo n MET 87 Ca -0.16 -0.01 0.21 0.00 -1.81 0.00 0.00 57.70 55.94 2cqo n MET 87 Cb 0.57 -1.19 1.06 0.00 -0.71 0.00 0.00 33.22 32.95 2cqo n MET 87 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2cqo h LYS 88 N 0.00 0.00 -0.55 0.03 2.10 -0.80 -0.23 116.57 117.11 2cqo h LYS 88 Ca -0.19 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.40 2cqo h LYS 88 Cb 1.42 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.71 2cqo h LYS 88 CO 0.01 0.00 0.07 1.33 -2.00 0.00 0.00 179.45 178.86 2cqo n VAL 89 N -2.98 2.73 -3.74 0.07 0.24 -1.26 -4.88 118.33 108.50 2cqo n VAL 89 Ca -0.02 -1.60 -0.12 0.00 -2.04 0.00 0.00 64.34 60.56 2cqo n VAL 89 Cb 0.11 -0.30 -0.12 0.00 -1.47 0.00 0.00 33.84 32.07 2cqo n VAL 89 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2cqo s VAL 90 N -2.86 -0.02 -0.00 3.34 1.01 -0.10 -2.75 120.40 119.01 2cqo s VAL 90 Ca 0.52 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 62.27 2cqo s VAL 90 Cb 0.41 -0.44 -0.06 0.00 0.00 0.00 0.00 36.38 36.30 2cqo s VAL 90 CO 0.14 0.03 1.44 0.21 0.00 0.00 0.00 175.10 176.92 2cqo s ASN 91 N 0.77 6.81 -0.40 3.32 2.47 -1.15 -4.90 114.94 121.86 2cqo s ASN 91 Ca -0.05 2.15 -0.05 0.00 0.42 0.00 0.00 52.86 55.33 2cqo s ASN 91 Cb -0.06 -2.56 -0.06 0.00 -1.45 0.00 0.00 41.25 37.12 2cqo s ASN 91 CO -0.05 -0.76 3.07 0.00 -3.72 0.00 0.00 177.10 175.65 2cqo n GLN 92 N 5.59 2.46 0.00 0.43 3.00 -1.26 -2.31 117.38 125.29 2cqo n GLN 92 Ca 0.14 -1.92 0.00 0.00 -0.01 0.00 0.00 57.00 55.21 2cqo n GLN 92 Cb 0.43 -2.15 0.00 0.00 0.00 0.00 0.00 30.24 28.52 2cqo n GLN 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2cqo n GLY 93 N 1.65 0.14 0.00 1.08 0.00 -1.26 -4.92 105.19 101.88 2cqo n GLY 93 Ca 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2cqo n GLY 93 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cqo n THR 94 N -0.93 0.00 -0.93 2.61 -2.24 -1.24 -5.05 114.28 106.50 2cqo n THR 94 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2cqo n THR 94 Cb 0.00 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 2cqo n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cqo n GLY 95 N 2.43 1.12 3.77 3.38 0.00 -0.98 -5.05 105.19 109.86 2cqo n GLY 95 Ca 0.00 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 2cqo n GLY 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cqo s LYS 96 N -2.28 4.22 -0.13 1.61 2.20 -1.26 -4.83 119.74 119.27 2cqo s LYS 96 Ca 0.00 0.54 -0.32 0.00 -0.36 0.00 0.00 55.97 55.83 2cqo s LYS 96 Cb 0.00 -3.34 -0.10 0.00 -1.51 0.00 0.00 37.83 32.88 2cqo s LYS 96 CO 0.00 0.38 2.02 -3.47 -0.36 0.00 0.00 175.35 173.92 2cqo n ASP 97 N 2.81 3.35 0.02 1.43 -0.08 -1.26 -2.95 116.55 119.87 2cqo n ASP 97 Ca -0.09 0.72 -0.16 0.00 -1.51 0.00 0.00 54.79 53.75 2cqo n ASP 97 Cb 0.52 -1.42 -0.14 0.00 2.34 0.00 0.00 41.12 42.41 2cqo n ASP 97 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2cqo h LEU 98 N 11.15 0.28 -6.94 -2.67 3.38 -1.88 -3.40 115.31 115.22 2cqo h LEU 98 Ca -0.44 -0.51 -0.67 0.00 0.09 0.00 0.00 57.88 56.35 2cqo h LEU 98 Cb 1.27 -0.09 -0.38 0.00 0.09 0.00 0.00 40.66 41.55 2cqo h LEU 98 CO 0.96 1.44 -0.23 0.47 0.09 0.00 0.00 178.44 181.17 2cqo n ASP 99 N -3.34 4.08 0.26 -0.43 8.00 -1.24 -4.87 116.55 119.01 2cqo n ASP 99 Ca -0.21 -3.26 0.17 0.00 0.71 0.00 0.00 54.79 52.19 2cqo n ASP 99 Cb 1.05 -0.91 0.69 0.00 -0.02 0.00 0.00 41.12 41.92 2cqo n ASP 99 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2cqo h PRO 100 N 5.33 0.00 -0.02 -0.24 0.13 -1.92 -3.04 132.00 132.23 2cqo h PRO 100 Ca 0.17 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.10 2cqo h PRO 100 Cb 0.74 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.88 2cqo h PRO 100 CO 0.87 0.00 -0.78 -0.91 -0.23 0.00 0.00 178.00 176.96 2cqo h ASN 101 N 0.00 0.72 -4.14 1.44 2.35 -1.98 -3.48 115.58 110.49 2cqo h ASN 101 Ca 0.00 -0.73 -0.24 0.00 -0.55 0.00 0.00 56.30 54.78 2cqo h ASN 101 Cb 0.47 -0.22 0.09 0.00 0.05 0.00 0.00 38.32 38.72 2cqo h ASN 101 CO 0.00 1.35 -0.45 0.59 -1.65 0.00 0.00 177.43 177.28 2cqo n ASN 102 N -4.06 -4.01 -0.01 5.81 3.02 -1.15 -4.93 115.26 109.93 2cqo n ASN 102 Ca -0.10 -0.36 0.07 0.00 -0.03 0.00 0.00 54.58 54.16 2cqo n ASN 102 Cb 0.75 -3.40 -0.10 0.00 -0.61 0.00 0.00 39.78 36.42 2cqo n ASN 102 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2cqo n VAL 103 N -3.78 0.00 -0.05 2.41 3.14 -1.26 -4.50 118.33 114.29 2cqo n VAL 103 Ca -0.05 -0.29 -0.09 0.00 -2.96 0.00 0.00 64.34 60.95 2cqo n VAL 103 Cb 0.56 0.37 -0.08 0.00 -1.06 0.00 0.00 33.84 33.63 2cqo n VAL 103 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 2cqo h ILE 104 N 0.00 1.08 -0.51 1.55 5.03 -1.97 -3.28 117.51 119.41 2cqo h ILE 104 Ca 0.00 -1.75 0.15 0.00 -0.12 0.00 0.00 64.86 63.14 2cqo h ILE 104 Cb 0.58 2.01 -0.02 0.00 -3.03 0.00 0.00 36.82 36.37 2cqo h ILE 104 CO 0.00 0.36 0.62 0.16 -0.68 0.00 0.00 178.15 178.61 2cqo h ILE 105 N -0.98 0.25 -1.66 -0.67 -0.00 -1.99 -3.34 117.51 109.11 2cqo h ILE 105 Ca -0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 64.86 64.30 2cqo h ILE 105 Cb 0.60 0.49 -0.09 0.00 -0.00 0.00 0.00 36.82 37.83 2cqo h ILE 105 CO 0.00 0.00 1.27 -0.70 -0.00 0.00 0.00 178.15 178.72 2cqo s GLU 106 N -4.52 3.32 0.11 0.16 2.56 -1.24 -4.96 118.70 114.13 2cqo s GLU 106 Ca -0.04 -0.62 -0.33 0.00 0.00 0.00 0.00 54.97 53.98 2cqo s GLU 106 Cb 0.14 -4.80 -0.18 0.00 2.00 0.00 0.00 34.13 31.30 2cqo s GLU 106 CO 0.50 -2.27 0.79 0.45 -0.56 0.00 0.00 175.26 174.17 2cqo n SER 107 N 9.56 -0.58 0.00 -1.70 2.88 -1.26 -4.88 113.62 117.64 2cqo n SER 107 Ca 0.20 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.88 2cqo n SER 107 Cb 0.50 -0.95 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 2cqo n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqo n GLY 108 N 1.78 -1.86 3.56 0.46 0.00 -1.26 -5.10 105.19 102.76 2cqo n GLY 108 Ca 0.19 0.83 -0.30 0.00 0.00 0.00 0.00 46.02 46.73 2cqo n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqo s PRO 109 N 0.00 2.58 -0.49 1.61 0.04 -1.26 -4.90 135.00 132.57 2cqo s PRO 109 Ca 0.00 -0.03 -0.46 0.00 0.04 0.00 0.00 61.00 60.54 2cqo s PRO 109 Cb 0.00 -4.87 -0.20 0.00 0.04 0.00 0.00 34.50 29.47 2cqo s PRO 109 CO 0.00 -3.19 1.67 -1.13 0.04 0.00 0.00 177.00 174.38 2cqo n SER 110 N 13.63 1.19 -4.87 6.66 3.41 -1.26 -4.90 113.62 127.48 2cqo n SER 110 Ca 0.35 1.13 -0.30 0.00 -0.26 0.00 0.00 58.87 59.78 2cqo n SER 110 Cb 0.48 -0.89 -0.01 0.00 -0.26 0.00 0.00 64.21 63.54 2cqo n SER 110 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cqo s SER 111 N 3.37 6.37 0.00 4.04 1.04 -1.26 -5.36 113.70 121.90 2cqo s SER 111 Ca 1.07 1.32 0.00 0.00 0.48 0.00 0.00 55.95 58.82 2cqo s SER 111 Cb -1.49 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 62.22 2cqo s SER 111 CO 0.80 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.94