#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 5.46 -0.05 1.61 0.01 -1.26 -4.89 113.70 114.58 2cqo s SER -5 Ca 0.00 -1.23 -0.02 0.00 1.31 0.00 0.00 55.95 56.02 2cqo s SER -5 Cb 0.00 -1.92 -0.02 0.00 0.21 0.00 0.00 66.02 64.29 2cqo s SER -5 CO 0.00 -0.39 -0.06 -0.24 0.41 0.00 0.00 173.24 172.96 2cqo n SER -4 N 4.86 1.08 0.00 2.44 2.88 -1.26 -5.16 113.62 118.47 2cqo n SER -4 Ca -0.11 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2cqo n SER -4 Cb 0.44 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 2cqo n SER -4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqo n GLY -3 N 2.84 1.96 3.65 0.46 0.00 -1.26 -5.04 105.19 107.80 2cqo n GLY -3 Ca -0.09 -2.02 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 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 0.00 7.01 0.64 1.61 0.01 -1.26 -5.02 113.70 116.69 2cqo s SER -2 Ca 0.00 1.25 -0.18 0.00 1.31 0.00 0.00 55.95 58.33 2cqo s SER -2 Cb 0.00 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 2cqo s SER -2 CO 0.00 -0.64 1.23 -0.55 0.41 0.00 0.00 173.24 173.69 2cqo s SER -1 N 1.27 4.82 0.67 2.44 0.15 -1.26 -5.01 113.70 116.78 2cqo s SER -1 Ca 0.41 2.44 -0.10 0.00 0.70 0.00 0.00 55.95 59.41 2cqo s SER -1 Cb -0.15 -2.60 0.01 0.00 -1.71 0.00 0.00 66.02 61.57 2cqo s SER -1 CO 0.07 -1.85 1.03 -0.83 1.20 0.00 0.00 173.24 172.86 2cqo s GLY 0 N -1.65 1.62 -0.10 9.45 0.00 -1.26 -4.96 107.32 110.42 2cqo s GLY 0 Ca 0.78 -0.45 -0.35 0.00 0.00 0.00 0.00 44.72 44.70 2cqo s GLY 0 CO 0.38 -0.12 1.85 1.03 0.00 0.00 0.00 173.10 176.24 2cqo n MET 1 N -2.86 2.05 -2.11 2.90 0.00 -1.26 -4.94 117.12 110.90 2cqo n MET 1 Ca 0.06 0.75 -0.32 0.00 0.00 0.00 0.00 57.70 58.19 2cqo n MET 1 Cb 0.57 -2.57 -0.00 0.00 0.00 0.00 0.00 33.22 31.21 2cqo n MET 1 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 2cqo s ASN 2 N 3.89 6.15 -0.67 7.83 0.01 -1.26 -5.03 114.94 125.87 2cqo s ASN 2 Ca 0.93 1.63 0.01 0.00 -0.71 0.00 0.00 52.86 54.72 2cqo s ASN 2 Cb -0.74 -2.51 0.17 0.00 0.41 0.00 0.00 41.25 38.58 2cqo s ASN 2 CO 0.53 -0.91 0.47 -0.55 -1.51 0.00 0.00 177.10 175.13 2cqo s SER 3 N -3.23 5.04 -0.08 -1.22 0.15 -1.26 -5.04 113.70 108.06 2cqo s SER 3 Ca 0.60 -3.31 -0.32 0.00 0.70 0.00 0.00 55.95 53.61 2cqo s SER 3 Cb -0.12 -1.76 0.13 0.00 -1.71 0.00 0.00 66.02 62.55 2cqo s SER 3 CO 0.39 -0.23 1.24 -0.83 1.20 0.00 0.00 173.24 175.01 2cqo s GLY 4 N -0.26 -0.36 -0.70 9.45 0.00 -1.26 -5.08 107.32 109.12 2cqo s GLY 4 Ca 0.21 1.07 -0.17 0.00 0.00 0.00 0.00 44.72 45.83 2cqo s GLY 4 CO -0.07 0.30 1.76 -2.13 0.00 0.00 0.00 173.10 172.96 2cqo n ARG 5 N -0.31 0.00 -2.20 2.90 0.63 -1.26 -4.78 116.66 111.63 2cqo n ARG 5 Ca -0.05 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.46 2cqo n ARG 5 Cb 0.61 -0.94 -0.03 0.00 0.45 0.00 0.00 32.46 32.55 2cqo n ARG 5 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2cqo s PRO 6 N 5.85 4.34 -0.61 -0.14 0.04 -1.26 -4.96 135.00 138.26 2cqo s PRO 6 Ca 0.94 2.03 -0.28 0.00 0.04 0.00 0.00 61.00 63.73 2cqo s PRO 6 Cb -0.79 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 30.51 2cqo s PRO 6 CO 0.36 -0.41 1.31 -1.21 0.04 0.00 0.00 177.00 177.09 2cqo s GLU 7 N 1.07 3.35 0.11 4.56 0.41 -1.26 -5.00 118.70 121.94 2cqo s GLU 7 Ca 0.64 0.24 -0.28 0.00 -0.41 0.00 0.00 54.97 55.16 2cqo s GLU 7 Cb -0.36 -4.10 -0.06 0.00 -1.78 0.00 0.00 34.13 27.83 2cqo s GLU 7 CO 0.30 -1.90 0.88 0.95 -0.49 0.00 0.00 175.26 175.00 2cqo s THR 8 N 5.63 4.52 1.02 3.63 -4.23 -1.26 -5.04 115.64 119.91 2cqo s THR 8 Ca 0.46 1.90 -0.12 0.00 -1.18 0.00 0.00 61.69 62.75 2cqo s THR 8 Cb -0.09 -4.24 0.20 0.00 1.34 0.00 0.00 72.50 69.71 2cqo s THR 8 CO 0.23 0.37 1.08 -0.32 -0.54 0.00 0.00 174.62 175.43 2cqo s MET 9 N -0.23 0.27 0.20 3.99 1.75 -1.26 -4.87 119.30 119.15 2cqo s MET 9 Ca 0.43 0.87 -0.19 0.00 -1.25 0.00 0.00 55.69 55.55 2cqo s MET 9 Cb -0.23 -1.69 -0.12 0.00 2.84 0.00 0.00 34.83 35.63 2cqo s MET 9 CO 0.27 -2.93 0.27 0.39 -0.65 0.00 0.00 175.02 172.37 2cqo n GLU 10 N -4.37 0.00 -1.13 4.11 1.02 -1.26 -4.72 120.64 114.29 2cqo n GLU 10 Ca 0.06 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.04 2cqo n GLU 10 Cb 0.55 -0.73 -0.13 0.00 -0.02 0.00 0.00 31.44 31.11 2cqo n GLU 10 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2cqo n ASN 11 N 1.55 5.63 -4.75 1.62 3.02 -1.26 -4.95 115.26 116.13 2cqo n ASN 11 Ca 0.12 -2.71 -0.35 0.00 -0.03 0.00 0.00 54.58 51.61 2cqo n ASN 11 Cb 0.22 -1.35 0.06 0.00 -0.61 0.00 0.00 39.78 38.10 2cqo n ASN 11 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2cqo s LEU 12 N -0.69 3.49 0.99 3.41 1.43 -1.26 -4.84 118.68 121.21 2cqo s LEU 12 Ca 0.62 2.28 -0.12 0.00 -1.03 0.00 0.00 54.13 55.88 2cqo s LEU 12 Cb 0.33 -4.58 0.18 0.00 0.03 0.00 0.00 46.19 42.15 2cqo s LEU 12 CO -0.07 -1.81 1.09 -2.16 0.23 0.00 0.00 176.35 173.63 2cqo s PRO 13 N -3.70 0.49 0.86 1.29 0.04 -1.26 -5.06 135.00 127.67 2cqo s PRO 13 Ca 0.74 0.55 -0.12 0.00 0.04 0.00 0.00 61.00 62.20 2cqo s PRO 13 Cb -0.27 -1.74 0.14 0.00 0.04 0.00 0.00 34.50 32.67 2cqo s PRO 13 CO 0.39 -2.70 1.21 0.00 0.04 0.00 0.00 177.00 175.94 2cqo s ALA 14 N -2.96 2.63 0.36 8.56 0.00 -1.26 -4.98 121.76 124.12 2cqo s ALA 14 Ca 0.65 -1.09 -0.28 0.00 0.00 0.00 0.00 51.96 51.24 2cqo s ALA 14 Cb -0.19 -2.71 -0.10 0.00 0.00 0.00 0.00 23.12 20.13 2cqo s ALA 14 CO 0.58 -1.98 1.34 -1.17 0.00 0.00 0.00 175.76 174.52 2cqo s LEU 15 N -5.64 4.34 -1.60 0.00 2.96 -1.26 -2.41 118.68 115.07 2cqo s LEU 15 Ca 0.68 2.75 0.00 0.00 -0.22 0.00 0.00 54.13 57.34 2cqo s LEU 15 Cb -0.07 -3.73 0.00 0.00 0.50 0.00 0.00 46.19 42.90 2cqo s LEU 15 CO 0.50 -0.69 0.00 -1.22 -1.32 0.00 0.00 176.35 173.61 2cqo n TYR 16 N 0.53 -0.68 -3.28 5.38 4.01 -0.65 -4.97 117.16 117.50 2cqo n TYR 16 Ca 0.01 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.37 2cqo n TYR 16 Cb 0.42 -3.45 -0.06 0.00 -0.31 0.00 0.00 39.34 35.94 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 -2.85 4.94 -0.19 -0.72 2.01 -1.01 -4.77 115.64 113.05 2cqo s THR 17 Ca 0.00 1.13 -0.09 0.00 0.31 0.00 0.00 61.69 63.04 2cqo s THR 17 Cb 0.00 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 2cqo s THR 17 CO 0.00 0.45 0.11 -0.63 -0.69 0.00 0.00 174.62 173.86 2cqo s ILE 18 N -0.35 5.20 0.12 1.82 1.01 -1.26 -2.01 121.20 125.72 2cqo s ILE 18 Ca 0.29 0.11 -0.14 0.00 0.00 0.00 0.00 60.65 60.91 2cqo s ILE 18 Cb -0.18 -3.35 0.02 0.00 0.01 0.00 0.00 42.46 38.96 2cqo s ILE 18 CO 0.16 0.46 0.34 0.72 0.00 0.00 0.00 174.94 176.62 2cqo s PHE 19 N 0.24 -0.08 -0.20 3.97 -0.12 -0.85 -5.02 117.98 115.92 2cqo s PHE 19 Ca 0.07 -0.27 -0.14 0.00 -0.05 0.00 0.00 56.93 56.54 2cqo s PHE 19 Cb -0.11 0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 2cqo s PHE 19 CO -0.01 -0.66 0.30 -1.14 -0.05 0.00 0.00 175.22 173.66 2cqo s GLN 20 N -3.83 4.18 0.09 1.99 0.74 -1.26 -1.85 119.66 119.73 2cqo s GLN 20 Ca 0.04 0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.50 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 -0.11 0.09 -0.02 0.20 -0.55 0.00 0.00 175.29 174.90 2cqo s GLY 21 N 0.82 0.74 -0.06 2.59 0.00 -0.26 -4.20 107.32 106.95 2cqo s GLY 21 Ca 0.15 -1.34 -0.00 0.00 0.00 0.00 0.00 44.72 43.53 2cqo s GLY 21 CO 0.05 -1.39 -0.02 1.85 0.00 0.00 0.00 173.10 173.59 2cqo s GLU 22 N -3.92 2.86 0.20 2.90 2.12 -1.22 -0.60 118.70 121.04 2cqo s GLU 22 Ca 0.13 -0.50 -0.30 0.00 0.36 0.00 0.00 54.97 54.66 2cqo s GLU 22 Cb 0.07 -2.70 -0.09 0.00 0.26 0.00 0.00 34.13 31.67 2cqo s GLU 22 CO -0.05 0.67 1.40 0.08 -0.54 0.00 0.00 175.26 176.82 2cqo s VAL 23 N -0.90 2.97 -0.01 3.70 1.01 -0.40 -1.75 120.40 125.02 2cqo s VAL 23 Ca 0.14 0.77 0.02 0.00 0.00 0.00 0.00 61.98 62.92 2cqo s VAL 23 Cb -0.11 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 2cqo s VAL 23 CO 0.04 0.10 0.03 0.00 0.00 0.00 0.00 175.10 175.27 2cqo n ALA 24 N 2.91 2.03 -3.08 5.51 0.00 -0.66 -1.85 120.51 125.37 2cqo n ALA 24 Ca 0.08 -0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 2cqo n ALA 24 Cb 0.41 0.03 -0.12 0.00 0.00 0.00 0.00 19.45 19.77 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 -2.12 0.24 -0.11 0.00 1.75 -1.24 -4.89 119.30 112.94 2cqo s MET 25 Ca -0.01 0.24 0.02 0.00 -1.25 0.00 0.00 55.69 54.69 2cqo s MET 25 Cb 0.01 0.12 0.01 0.00 2.84 0.00 0.00 34.83 37.81 2cqo s MET 25 CO 0.09 -0.03 -0.16 0.08 -0.65 0.00 0.00 175.02 174.35 2cqo s VAL 26 N 0.02 1.57 0.20 10.11 1.01 -1.26 -0.92 120.40 131.13 2cqo s VAL 26 Ca -0.01 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.34 2cqo s VAL 26 Cb -0.02 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 2cqo s VAL 26 CO 0.00 0.45 -0.08 0.42 0.00 0.00 0.00 175.10 175.90 2cqo s THR 27 N 0.97 1.30 -2.00 3.92 -4.23 0.13 -5.00 115.64 110.73 2cqo s THR 27 Ca -0.06 -2.09 0.19 0.00 -1.18 0.00 0.00 61.69 58.55 2cqo s THR 27 Cb -0.15 -2.09 0.55 0.00 1.34 0.00 0.00 72.50 72.14 2cqo s THR 27 CO -0.02 -0.55 1.54 0.47 -0.54 0.00 0.00 174.62 175.52 2cqo n ASP 28 N -0.34 0.00 -0.03 3.99 9.92 -1.26 -1.94 116.55 126.89 2cqo n ASP 28 Ca -0.08 -0.60 0.00 0.00 -0.53 0.00 0.00 54.79 53.58 2cqo n ASP 28 Cb 0.62 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.10 2cqo n ASP 28 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cqo n TYR 29 N -1.00 0.00 -2.45 1.24 0.18 -1.26 -4.85 117.16 109.02 2cqo n TYR 29 Ca 0.14 -0.05 0.00 0.00 1.88 0.00 0.00 57.90 59.87 2cqo n TYR 29 Cb 0.07 -0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.02 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 -0.01 -0.09 3.23 -7.48 0.00 -0.82 -0.42 105.19 99.60 2cqo n GLY 30 Ca 0.00 -1.44 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.77 -0.07 4.61 0.00 -0.45 0.18 121.76 124.26 2cqo s ALA 31 Ca 0.00 0.43 -0.15 0.00 0.00 0.00 0.00 51.96 52.24 2cqo s ALA 31 Cb 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 2cqo s ALA 31 CO 0.00 -0.24 0.40 -0.06 0.00 0.00 0.00 175.76 175.86 2cqo s PHE 32 N -1.03 3.61 -0.11 0.00 0.40 -0.10 -0.30 117.98 120.46 2cqo s PHE 32 Ca -0.11 0.87 0.03 0.00 -0.60 0.00 0.00 56.93 57.12 2cqo s PHE 32 Cb -0.05 -2.36 0.01 0.00 0.51 0.00 0.00 43.02 41.13 2cqo s PHE 32 CO 0.03 0.44 -0.22 0.42 0.70 0.00 0.00 175.22 176.59 2cqo s ILE 33 N -0.31 1.96 -0.05 0.64 -1.09 -0.60 -1.65 121.20 120.11 2cqo s ILE 33 Ca 0.23 -0.94 -0.29 0.00 -2.23 0.00 0.00 60.65 57.42 2cqo s ILE 33 Cb -0.15 -1.72 -0.02 0.00 -1.58 0.00 0.00 42.46 38.99 2cqo s ILE 33 CO 0.10 0.53 0.94 -0.54 -1.23 0.00 0.00 174.94 174.75 2cqo s LYS 34 N 0.58 4.49 0.06 2.79 1.02 -0.72 -2.75 119.74 125.21 2cqo s LYS 34 Ca -0.13 1.31 -0.24 0.00 0.02 0.00 0.00 55.97 56.93 2cqo s LYS 34 Cb -0.17 -3.49 -0.06 0.00 -0.52 0.00 0.00 37.83 33.59 2cqo s LYS 34 CO 0.04 -0.13 0.72 0.42 -0.92 0.00 0.00 175.35 175.48 2cqo s ILE 35 N 1.34 4.70 -0.10 2.17 1.01 -1.26 -3.37 121.20 125.69 2cqo s ILE 35 Ca 0.48 1.53 -0.29 0.00 0.00 0.00 0.00 60.65 62.37 2cqo s ILE 35 Cb -0.19 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 2cqo s ILE 35 CO 0.23 0.42 1.53 -2.16 0.00 0.00 0.00 174.94 174.95 2cqo s PRO 36 N -0.36 4.18 0.00 2.79 0.04 -1.26 -3.08 135.00 137.30 2cqo s PRO 36 Ca 0.36 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2cqo s PRO 36 Cb -0.20 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.42 2cqo s PRO 36 CO 0.22 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.85 2cqo n GLY 37 N 3.99 0.90 3.72 0.56 0.00 -1.26 -5.07 105.19 108.03 2cqo n GLY 37 Ca 0.16 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.49 0.27 -2.47 0.00 5.12 -1.26 -4.85 116.66 112.97 2cqo n ARG 39 Ca -0.04 0.09 -0.38 0.00 -1.93 0.00 0.00 57.85 55.58 2cqo n ARG 39 Cb 0.60 -1.10 -0.04 0.00 -1.16 0.00 0.00 32.46 30.77 2cqo n ARG 39 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2cqo s LYS 40 N -2.23 4.27 0.19 5.56 2.47 -1.26 -4.97 119.74 123.78 2cqo s LYS 40 Ca -0.16 1.66 0.10 0.00 -1.56 0.00 0.00 55.97 56.01 2cqo s LYS 40 Cb 0.05 -2.75 -0.04 0.00 -1.46 0.00 0.00 37.83 33.63 2cqo s LYS 40 CO 0.24 -0.08 -0.16 -0.65 0.16 0.00 0.00 175.35 174.86 2cqo s GLN 41 N -2.16 1.82 0.26 4.03 -0.21 -1.26 -4.39 119.66 117.75 2cqo s GLN 41 Ca 0.54 -1.40 0.07 0.00 0.02 0.00 0.00 55.36 54.58 2cqo s GLN 41 Cb -0.27 -2.01 -0.03 0.00 1.00 0.00 0.00 33.01 31.70 2cqo s GLN 41 CO 0.34 0.41 0.26 0.20 -2.12 0.00 0.00 175.29 174.38 2cqo s GLY 42 N -2.81 1.40 -0.10 3.09 0.00 -1.11 -4.81 107.32 102.98 2cqo s GLY 42 Ca 0.23 -1.40 -0.00 0.00 0.00 0.00 0.00 44.72 43.56 2cqo s GLY 42 CO 0.13 -1.41 -0.09 -2.27 0.00 0.00 0.00 173.10 169.46 2cqo s LEU 43 N -3.91 3.01 -0.37 0.66 2.96 -0.86 -1.55 118.68 118.61 2cqo s LEU 43 Ca 0.35 -0.15 -0.09 0.00 -0.22 0.00 0.00 54.13 54.02 2cqo s LEU 43 Cb -0.08 -1.67 0.05 0.00 0.50 0.00 0.00 46.19 44.98 2cqo s LEU 43 CO 0.27 0.26 0.18 -0.69 -1.32 0.00 0.00 176.35 175.05 2cqo s VAL 44 N -0.19 4.17 0.60 1.68 1.01 0.59 -1.53 120.40 126.73 2cqo s VAL 44 Ca 0.02 -1.12 -0.19 0.00 0.00 0.00 0.00 61.98 60.69 2cqo s VAL 44 Cb -0.13 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 2cqo s VAL 44 CO 0.03 -0.30 1.01 1.57 0.00 0.00 0.00 175.10 177.41 2cqo n HIS 45 N 4.90 0.99 0.14 5.22 -0.00 -1.26 -1.34 115.22 123.87 2cqo n HIS 45 Ca -0.11 0.44 0.09 0.00 0.46 0.00 0.00 57.72 58.59 2cqo n HIS 45 Cb 0.45 -2.16 0.59 0.00 -0.12 0.00 0.00 29.99 28.74 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 0.15 -0.10 1.57 0.11 -1.08 0.21 114.38 115.78 2cqo h ARG 46 Ca -0.49 -0.01 -0.08 0.00 0.10 0.00 0.00 59.98 59.50 2cqo h ARG 46 Cb 1.36 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.39 2cqo h ARG 46 CO 0.51 0.10 -0.32 1.79 0.10 0.00 0.00 179.97 182.15 2cqo h THR 47 N 0.15 1.26 0.00 0.08 1.35 -1.88 -3.01 112.91 110.87 2cqo h THR 47 Ca 0.09 -1.25 -0.25 0.00 -0.55 0.00 0.00 66.41 64.45 2cqo h THR 47 Cb 0.16 1.54 -0.04 0.00 -1.73 0.00 0.00 68.15 68.08 2cqo h THR 47 CO -0.01 0.37 -1.63 1.41 -0.25 0.00 0.00 175.52 175.41 2cqo n HIS 48 N -4.11 0.95 -0.45 4.73 8.25 -0.36 -4.10 115.22 120.13 2cqo n HIS 48 Ca -0.01 0.33 0.37 0.00 -0.26 0.00 0.00 57.72 58.16 2cqo n HIS 48 Cb 0.40 -1.14 0.68 0.00 1.12 0.00 0.00 29.99 31.05 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 0.10 -3.37 -0.41 2.07 -0.50 -1.21 114.93 111.61 2cqo h MET 49 Ca -0.25 -0.01 -0.05 0.00 -2.07 0.00 0.00 59.70 57.33 2cqo h MET 49 Cb 1.87 -0.02 -0.12 0.00 -1.87 0.00 0.00 31.60 31.45 2cqo h MET 49 CO 0.07 0.07 -0.05 0.45 1.07 0.00 0.00 176.91 178.52 2cqo s SER 50 N -4.65 -0.25 -0.17 1.22 0.15 -1.25 -4.36 113.70 104.39 2cqo s SER 50 Ca -0.07 -0.34 -0.25 0.00 0.70 0.00 0.00 55.95 55.99 2cqo s SER 50 Cb 0.27 0.50 -0.22 0.00 -1.71 0.00 0.00 66.02 64.85 2cqo s SER 50 CO 0.83 -0.89 0.49 -1.28 1.20 0.00 0.00 173.24 173.59 2cqo h SER 51 N 2.32 0.00 -3.07 5.45 0.87 -1.82 -3.46 113.55 113.85 2cqo h SER 51 Ca -0.33 -0.75 -0.38 0.00 -1.23 0.00 0.00 61.79 59.10 2cqo h SER 51 Cb 1.26 0.00 0.22 0.00 -0.44 0.00 0.00 62.40 63.43 2cqo h SER 51 CO 0.45 1.23 -0.10 0.00 -0.53 0.00 0.00 176.83 177.88 2cqo s ARG 53 N -5.12 2.92 -0.43 0.00 3.52 -1.26 -4.92 118.95 113.65 2cqo s ARG 53 Ca 0.69 1.92 -0.23 0.00 -0.13 0.00 0.00 55.73 57.98 2cqo s ARG 53 Cb -0.12 -4.42 0.02 0.00 -1.56 0.00 0.00 34.95 28.87 2cqo s ARG 53 CO 0.58 -2.35 0.76 0.08 -0.81 0.00 0.00 175.30 173.56 2cqo s VAL 54 N 9.12 4.69 -0.10 7.11 1.01 -1.26 -4.85 120.40 136.12 2cqo s VAL 54 Ca 1.00 0.48 0.04 0.00 0.00 0.00 0.00 61.98 63.50 2cqo s VAL 54 Cb -0.30 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 31.71 2cqo s VAL 54 CO 0.33 -0.64 -0.04 -0.67 0.00 0.00 0.00 175.10 174.08 2cqo n ASP 55 N 6.59 3.02 -3.62 3.32 2.03 -1.26 -4.89 116.55 121.74 2cqo n ASP 55 Ca 0.02 -0.03 -0.29 0.00 0.52 0.00 0.00 54.79 55.00 2cqo n ASP 55 Cb 0.48 0.22 -0.12 0.00 -0.72 0.00 0.00 41.12 40.98 2cqo n ASP 55 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2cqo s LYS 56 N -2.22 1.06 0.54 -0.67 1.02 -1.26 -4.96 119.74 113.26 2cqo s LYS 56 Ca -0.10 -1.84 0.33 0.00 0.02 0.00 0.00 55.97 54.38 2cqo s LYS 56 Cb 0.03 -1.98 1.36 0.00 -0.52 0.00 0.00 37.83 36.73 2cqo s LYS 56 CO 0.30 -1.20 1.99 -1.00 -0.92 0.00 0.00 175.35 174.52 2cqo h PRO 57 N 6.71 0.00 0.00 -1.68 0.13 -1.89 -2.57 132.00 132.70 2cqo h PRO 57 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2cqo h PRO 57 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2cqo h PRO 57 CO 0.41 0.03 0.00 0.43 -0.23 0.00 0.00 178.00 178.64 2cqo n SER 58 N -3.15 0.32 -0.32 1.44 7.64 -1.26 -2.24 113.62 116.05 2cqo n SER 58 Ca 0.00 0.56 0.09 0.00 1.01 0.00 0.00 58.87 60.54 2cqo n SER 58 Cb 0.31 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 62.84 2cqo n SER 58 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2cqo n GLU 59 N -1.84 1.28 0.09 1.43 -0.58 -0.97 -4.39 120.64 115.67 2cqo n GLU 59 Ca 0.04 -0.67 -0.23 0.00 -0.42 0.00 0.00 57.16 55.88 2cqo n GLU 59 Cb 0.25 -1.38 -0.15 0.00 -0.57 0.00 0.00 31.44 29.59 2cqo n GLU 59 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2cqo h ILE 60 N 1.58 1.01 -4.38 -3.67 2.04 -1.51 -3.48 117.51 109.10 2cqo h ILE 60 Ca 0.00 -2.56 -0.23 0.00 1.00 0.00 0.00 64.86 63.07 2cqo h ILE 60 Cb 0.60 2.81 -0.15 0.00 -0.74 0.00 0.00 36.82 39.35 2cqo h ILE 60 CO 0.00 0.85 -0.63 0.68 0.00 0.00 0.00 178.15 179.05 2cqo s VAL 61 N -2.58 0.15 -0.15 1.67 -7.23 -1.22 -5.15 120.40 105.88 2cqo s VAL 61 Ca -0.14 -1.96 -0.14 0.00 -1.81 0.00 0.00 61.98 57.93 2cqo s VAL 61 Cb 0.05 -2.30 0.04 0.00 0.56 0.00 0.00 36.38 34.73 2cqo s VAL 61 CO 0.87 -0.22 0.40 -1.81 -0.31 0.00 0.00 175.10 174.03 2cqo s ASP 62 N -3.13 -0.42 -0.43 4.85 1.11 -1.26 -4.76 116.67 112.63 2cqo s ASP 62 Ca 0.32 0.81 -0.44 0.00 0.18 0.00 0.00 52.55 53.42 2cqo s ASP 62 Cb 0.07 0.81 -0.18 0.00 1.07 0.00 0.00 42.92 44.70 2cqo s ASP 62 CO 0.07 -0.14 1.81 0.52 1.18 0.00 0.00 175.17 178.62 2cqo n VAL 63 N 2.92 0.10 0.00 -1.27 0.31 -1.26 -1.09 118.33 118.03 2cqo n VAL 63 Ca -0.14 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2cqo n VAL 63 Cb 0.57 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 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 5.09 2.10 3.77 2.92 0.00 -0.77 -5.00 105.19 113.29 2cqo n GLY 64 Ca 0.36 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.93 7.16 -0.18 1.61 1.01 -0.25 -4.83 116.67 119.25 2cqo s ASP 65 Ca 0.00 1.38 -0.09 0.00 0.71 0.00 0.00 52.55 54.55 2cqo s ASP 65 Cb 0.00 -2.43 -0.05 0.00 1.01 0.00 0.00 42.92 41.46 2cqo s ASP 65 CO 0.00 0.13 0.13 -0.75 0.21 0.00 0.00 175.17 174.89 2cqo s LYS 66 N -0.53 4.04 0.21 8.23 2.20 -1.26 -1.27 119.74 131.35 2cqo s LYS 66 Ca 0.34 -0.21 -0.02 0.00 -0.36 0.00 0.00 55.97 55.72 2cqo s LYS 66 Cb -0.20 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 2cqo s LYS 66 CO 0.21 0.39 0.16 0.14 -0.36 0.00 0.00 175.35 175.90 2cqo s VAL 67 N 0.10 0.00 -0.20 4.02 -7.23 0.23 -4.97 120.40 112.34 2cqo s VAL 67 Ca 0.09 -1.95 -0.10 0.00 -1.81 0.00 0.00 61.98 58.22 2cqo s VAL 67 Cb -0.11 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.30 2cqo s VAL 67 CO -0.01 0.00 0.13 0.26 -0.31 0.00 0.00 175.10 175.17 2cqo s TRP 68 N -4.14 3.40 0.21 2.82 0.52 -1.26 -1.10 118.94 119.38 2cqo s TRP 68 Ca 0.38 0.31 0.06 0.00 0.02 0.00 0.00 56.10 56.87 2cqo s TRP 68 Cb 0.06 -2.16 -0.05 0.00 -1.15 0.00 0.00 33.47 30.18 2cqo s TRP 68 CO 0.12 0.28 -0.09 0.14 0.02 0.00 0.00 176.95 177.42 2cqo s VAL 69 N 0.37 1.44 -0.06 4.03 -7.23 -0.77 -4.67 120.40 113.52 2cqo s VAL 69 Ca 0.08 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 2cqo s VAL 69 Cb -0.11 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 34.73 2cqo s VAL 69 CO -0.02 -0.53 -0.03 -0.75 -0.31 0.00 0.00 175.10 173.46 2cqo s LYS 70 N -3.73 0.84 0.20 4.82 2.20 0.17 -2.00 119.74 122.23 2cqo s LYS 70 Ca 0.23 -0.06 -0.32 0.00 -0.36 0.00 0.00 55.97 55.46 2cqo s LYS 70 Cb 0.02 -0.96 -0.12 0.00 -1.51 0.00 0.00 37.83 35.26 2cqo s LYS 70 CO 0.06 -0.16 1.70 -0.11 -0.36 0.00 0.00 175.35 176.48 2cqo n LEU 71 N 4.46 3.82 -0.02 5.43 7.94 -0.85 -0.64 117.00 137.14 2cqo n LEU 71 Ca -0.18 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.78 2cqo n LEU 71 Cb 0.51 -1.54 -0.06 0.00 0.53 0.00 0.00 43.42 42.85 2cqo n LEU 71 CO 0.19 0.09 -0.66 2.30 -1.11 0.00 0.00 177.39 178.20 2cqo n ILE 72 N 3.88 0.23 -3.29 1.96 -5.35 -0.93 -1.64 119.36 114.23 2cqo n ILE 72 Ca 0.16 -0.23 0.03 0.00 -0.27 0.00 0.00 62.75 62.44 2cqo n ILE 72 Cb 0.34 -0.23 -0.02 0.00 -1.74 0.00 0.00 39.64 37.99 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 -3.35 -0.62 -0.11 3.28 0.00 -1.21 -4.89 107.32 100.43 2cqo s GLY 73 Ca -0.03 2.42 0.03 0.00 0.00 0.00 0.00 44.72 47.13 2cqo s GLY 73 CO 0.30 3.40 -0.20 1.09 0.00 0.00 0.00 173.10 177.69 2cqo s ARG 74 N 2.81 3.11 -0.05 2.90 1.70 -1.26 -1.39 118.95 126.76 2cqo s ARG 74 Ca 0.06 -0.81 -0.02 0.00 -0.47 0.00 0.00 55.73 54.49 2cqo s ARG 74 Cb -0.11 -2.41 0.04 0.00 -0.57 0.00 0.00 34.95 31.90 2cqo s ARG 74 CO -0.17 0.22 0.09 -1.21 -1.08 0.00 0.00 175.30 173.15 2cqo s GLU 75 N 0.27 -0.01 -0.26 3.89 2.02 0.18 -5.03 118.70 119.76 2cqo s GLU 75 Ca -0.14 0.38 -0.01 0.00 0.02 0.00 0.00 54.97 55.22 2cqo s GLU 75 Cb -0.17 -0.33 0.03 0.00 0.10 0.00 0.00 34.13 33.76 2cqo s GLU 75 CO 0.07 -0.26 -0.06 1.41 0.02 0.00 0.00 175.26 176.44 2cqo s MET 76 N 1.78 2.72 0.03 1.61 -2.45 -1.26 -0.36 119.30 121.37 2cqo s MET 76 Ca -0.01 -1.05 0.08 0.00 -1.25 0.00 0.00 55.69 53.46 2cqo s MET 76 Cb -0.12 -3.00 -0.03 0.00 1.25 0.00 0.00 34.83 32.93 2cqo s MET 76 CO -0.04 -0.45 -0.22 0.21 1.05 0.00 0.00 175.02 175.57 2cqo s LYS 77 N 1.29 2.00 0.26 4.11 2.20 0.06 -4.99 119.74 124.67 2cqo s LYS 77 Ca -0.01 -1.01 0.17 0.00 -0.36 0.00 0.00 55.97 54.76 2cqo s LYS 77 Cb -0.17 -2.10 0.95 0.00 -1.51 0.00 0.00 37.83 34.99 2cqo s LYS 77 CO -0.04 0.54 1.54 0.09 -0.36 0.00 0.00 175.35 177.11 2cqo n ASN 78 N 1.80 0.45 -0.07 1.43 3.02 -1.26 -0.99 115.26 119.64 2cqo n ASN 78 Ca -0.17 0.71 -0.05 0.00 -0.03 0.00 0.00 54.58 55.05 2cqo n ASN 78 Cb 0.52 -0.77 -0.16 0.00 -0.61 0.00 0.00 39.78 38.76 2cqo n ASN 78 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2cqo n ASP 79 N -2.11 0.06 -3.61 6.41 8.00 -1.26 -5.04 116.55 119.00 2cqo n ASP 79 Ca -0.01 0.03 -0.05 0.00 0.71 0.00 0.00 54.79 55.47 2cqo n ASP 79 Cb 0.03 1.17 -0.04 0.00 -0.02 0.00 0.00 41.12 42.26 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 -2.75 0.28 -0.13 -1.24 1.70 -0.16 -5.16 118.95 111.48 2cqo s ARG 80 Ca -0.09 0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.18 2cqo s ARG 80 Cb 0.08 0.13 -0.01 0.00 -0.57 0.00 0.00 34.95 34.58 2cqo s ARG 80 CO 0.85 -0.10 -0.14 0.42 -1.08 0.00 0.00 175.30 175.25 2cqo s ILE 81 N -1.47 2.96 -0.14 4.99 1.01 -1.26 -0.76 121.20 126.54 2cqo s ILE 81 Ca 0.06 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.05 2cqo s ILE 81 Cb -0.01 -2.24 0.01 0.00 0.01 0.00 0.00 42.46 40.23 2cqo s ILE 81 CO -0.04 0.52 -0.21 -0.75 0.00 0.00 0.00 174.94 174.46 2cqo s LYS 82 N 0.43 2.93 -0.04 2.79 2.47 0.52 -4.99 119.74 123.86 2cqo s LYS 82 Ca -0.10 -0.82 0.02 0.00 -1.56 0.00 0.00 55.97 53.51 2cqo s LYS 82 Cb -0.16 -2.40 0.01 0.00 -1.46 0.00 0.00 37.83 33.81 2cqo s LYS 82 CO 0.05 -0.05 -0.10 0.14 0.16 0.00 0.00 175.35 175.55 2cqo s VAL 83 N 0.92 0.88 -0.00 4.02 -7.23 -1.26 -0.65 120.40 117.07 2cqo s VAL 83 Ca -0.05 -0.37 0.06 0.00 -1.81 0.00 0.00 61.98 59.80 2cqo s VAL 83 Cb -0.15 -0.80 -0.02 0.00 0.56 0.00 0.00 36.38 35.97 2cqo s VAL 83 CO -0.04 0.28 -0.18 -0.44 -0.31 0.00 0.00 175.10 174.41 2cqo s SER 84 N 0.43 2.12 0.21 4.85 0.01 -0.49 -2.02 113.70 118.81 2cqo s SER 84 Ca -0.08 -0.36 0.05 0.00 1.31 0.00 0.00 55.95 56.87 2cqo s SER 84 Cb -0.12 -0.22 -0.05 0.00 0.21 0.00 0.00 66.02 65.84 2cqo s SER 84 CO 0.01 0.19 -0.07 -0.76 0.41 0.00 0.00 173.24 173.03 2cqo s LEU 85 N -0.60 2.42 0.06 2.44 1.43 -0.58 -2.18 118.68 121.67 2cqo s LEU 85 Ca 0.07 -1.12 0.07 0.00 -1.03 0.00 0.00 54.13 52.12 2cqo s LEU 85 Cb -0.07 -0.45 -0.03 0.00 0.03 0.00 0.00 46.19 45.67 2cqo s LEU 85 CO -0.00 -0.36 -0.19 -0.55 0.23 0.00 0.00 176.35 175.48 2cqo s SER 86 N -3.30 2.29 0.00 2.29 0.15 0.19 -4.25 113.70 111.07 2cqo s SER 86 Ca 0.24 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.33 2cqo s SER 86 Cb 0.03 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 2cqo s SER 86 CO 0.07 0.09 0.00 0.23 1.20 0.00 0.00 173.24 174.83 2cqo n MET 87 N 1.61 1.05 0.07 5.44 2.81 -1.21 -0.66 117.12 126.22 2cqo n MET 87 Ca -0.18 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 55.84 2cqo n MET 87 Cb 0.54 -0.96 0.48 0.00 -0.71 0.00 0.00 33.22 32.56 2cqo n MET 87 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2cqo n LYS 88 N -1.49 0.15 -0.42 0.03 2.85 -0.46 -2.91 118.16 115.92 2cqo n LYS 88 Ca 0.00 0.16 0.09 0.00 -1.05 0.00 0.00 58.31 57.51 2cqo n LYS 88 Cb 0.09 -1.69 0.28 0.00 -0.65 0.00 0.00 35.03 33.06 2cqo n LYS 88 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 2cqo n VAL 89 N -1.96 1.49 -3.90 0.58 0.24 -1.26 -4.83 118.33 108.68 2cqo n VAL 89 Ca 0.06 -1.19 -0.17 0.00 -2.04 0.00 0.00 64.34 61.00 2cqo n VAL 89 Cb 0.37 0.26 -0.16 0.00 -1.47 0.00 0.00 33.84 32.84 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 -1.56 0.14 0.25 3.34 1.01 -1.14 -2.37 120.40 120.07 2cqo s VAL 90 Ca 0.42 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 62.20 2cqo s VAL 90 Cb 0.26 -0.25 -0.11 0.00 0.00 0.00 0.00 36.38 36.28 2cqo s VAL 90 CO 0.22 0.14 1.61 0.21 0.00 0.00 0.00 175.10 177.28 2cqo s ASN 91 N 1.06 6.43 -0.80 3.32 3.84 -1.07 -4.91 114.94 122.81 2cqo s ASN 91 Ca -0.09 2.87 -0.02 0.00 0.21 0.00 0.00 52.86 55.82 2cqo s ASN 91 Cb -0.13 -2.62 0.31 0.00 -0.55 0.00 0.00 41.25 38.25 2cqo s ASN 91 CO -0.02 -0.90 2.14 0.00 -2.79 0.00 0.00 177.10 175.53 2cqo n GLN 92 N 2.84 2.78 0.00 0.43 1.13 -1.26 -3.07 117.38 120.23 2cqo n GLN 92 Ca 0.11 -3.38 0.00 0.00 -1.94 0.00 0.00 57.00 51.79 2cqo n GLN 92 Cb 0.37 -2.26 0.00 0.00 0.11 0.00 0.00 30.24 28.46 2cqo n GLN 92 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2cqo n GLY 93 N -0.31 0.16 0.00 1.08 0.00 -1.26 -4.96 105.19 99.90 2cqo n GLY 93 Ca 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.06 0.00 -1.61 2.61 -2.24 -1.26 -5.03 114.28 105.68 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 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 1.92 0.54 3.79 3.38 0.00 -1.18 -5.05 105.19 108.60 2cqo n GLY 95 Ca 0.00 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.32 4.18 0.20 1.61 2.20 -1.26 -4.85 119.74 118.50 2cqo s LYS 96 Ca 0.00 0.62 -0.32 0.00 -0.36 0.00 0.00 55.97 55.91 2cqo s LYS 96 Cb 0.00 -3.29 -0.12 0.00 -1.51 0.00 0.00 37.83 32.92 2cqo s LYS 96 CO 0.00 0.52 1.69 0.34 -0.36 0.00 0.00 175.35 177.54 2cqo s ASP 97 N -0.64 6.41 0.00 1.43 2.15 -1.26 -2.61 116.67 122.14 2cqo s ASP 97 Ca 0.28 2.83 0.15 0.00 0.43 0.00 0.00 52.55 56.24 2cqo s ASP 97 Cb -0.18 -2.60 -0.02 0.00 -0.30 0.00 0.00 42.92 39.82 2cqo s ASP 97 CO 0.16 -0.95 0.81 0.18 -0.17 0.00 0.00 175.17 175.20 2cqo n LEU 98 N 3.90 1.48 -3.62 -1.34 4.77 -1.00 -4.74 117.00 116.46 2cqo n LEU 98 Ca 0.15 -0.73 -0.28 0.00 -0.03 0.00 0.00 56.01 55.12 2cqo n LEU 98 Cb 0.36 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.34 2cqo n LEU 98 CO 0.63 0.29 -0.20 1.51 -1.33 0.00 0.00 177.39 178.29 2cqo s ASP 99 N -1.92 2.96 0.00 -1.43 -4.77 -1.24 -4.94 116.67 105.33 2cqo s ASP 99 Ca 0.12 -3.32 0.12 0.00 -3.30 0.00 0.00 52.55 46.17 2cqo s ASP 99 Cb 0.12 -0.95 0.71 0.00 -1.09 0.00 0.00 42.92 41.71 2cqo s ASP 99 CO 0.42 -0.15 1.14 -0.81 0.70 0.00 0.00 175.17 176.47 2cqo n PRO 100 N 2.59 0.49 -0.04 2.11 -0.04 -1.26 -2.44 135.00 136.41 2cqo n PRO 100 Ca 0.24 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.66 2cqo n PRO 100 Cb 0.42 -1.38 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 2cqo n PRO 100 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2cqo n ASN 101 N -0.88 3.13 -3.84 3.54 6.94 -1.26 -5.04 115.26 117.85 2cqo n ASN 101 Ca 0.09 -0.00 -0.26 0.00 -0.02 0.00 0.00 54.58 54.38 2cqo n ASN 101 Cb 0.04 0.63 0.01 0.00 -2.36 0.00 0.00 39.78 38.09 2cqo n ASN 101 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2cqo n ASN 102 N -2.32 -1.75 -0.00 0.53 0.23 -1.02 -4.87 115.26 106.06 2cqo n ASN 102 Ca -0.13 -0.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.94 2cqo n ASN 102 Cb 0.74 -3.30 -0.00 0.00 -2.08 0.00 0.00 39.78 35.14 2cqo n ASN 102 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 2cqo n VAL 103 N -4.33 0.00 -0.22 3.53 3.14 -1.26 -4.71 118.33 114.48 2cqo n VAL 103 Ca -0.25 -0.01 0.02 0.00 -2.96 0.00 0.00 64.34 61.14 2cqo n VAL 103 Cb 0.66 0.27 0.14 0.00 -1.06 0.00 0.00 33.84 33.85 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 0.69 0.00 1.55 5.03 -1.99 0.36 117.51 123.15 2cqo h ILE 104 Ca -0.00 -0.13 0.00 0.00 -0.12 0.00 0.00 64.86 64.61 2cqo h ILE 104 Cb 0.17 0.28 0.00 0.00 -3.03 0.00 0.00 36.82 34.24 2cqo h ILE 104 CO 0.00 0.07 0.00 0.16 -0.68 0.00 0.00 178.15 177.70 2cqo h ILE 105 N 0.38 0.00 -2.64 -0.67 -0.00 -1.98 -3.42 117.51 109.18 2cqo h ILE 105 Ca 0.35 -0.14 -0.55 0.00 -0.00 0.00 0.00 64.86 64.52 2cqo h ILE 105 Cb 0.50 1.07 -0.00 0.00 -0.00 0.00 0.00 36.82 38.38 2cqo h ILE 105 CO -0.37 0.00 1.06 -0.70 -0.00 0.00 0.00 178.15 178.14 2cqo s GLU 106 N -3.91 4.19 0.59 0.16 2.12 0.13 -5.00 118.70 116.97 2cqo s GLU 106 Ca -0.03 2.19 0.07 0.00 0.36 0.00 0.00 54.97 57.56 2cqo s GLU 106 Cb 0.11 -3.92 0.09 0.00 0.26 0.00 0.00 34.13 30.67 2cqo s GLU 106 CO 0.42 -0.82 0.81 -1.12 -0.54 0.00 0.00 175.26 174.01 2cqo s SER 107 N 3.15 5.00 0.00 -1.70 0.01 -1.26 -5.00 113.70 113.90 2cqo s SER 107 Ca 0.73 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 57.30 2cqo s SER 107 Cb -0.34 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.00 2cqo s SER 107 CO 0.30 -1.39 0.00 0.61 0.41 0.00 0.00 173.24 173.17 2cqo n GLY 108 N -2.33 0.72 3.57 3.44 0.00 -1.26 -4.99 105.19 104.34 2cqo n GLY 108 Ca 0.15 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.35 2.54 -0.12 1.61 0.04 -1.26 -4.94 135.00 132.51 2cqo s PRO 109 Ca 0.00 -0.66 -0.04 0.00 0.04 0.00 0.00 61.00 60.33 2cqo s PRO 109 Cb 0.00 -5.14 -0.04 0.00 0.04 0.00 0.00 34.50 29.36 2cqo s PRO 109 CO 0.00 -3.63 0.04 0.45 0.04 0.00 0.00 177.00 173.90 2cqo s SER 110 N 7.37 5.53 0.50 6.66 0.15 -1.26 -5.09 113.70 127.56 2cqo s SER 110 Ca 0.69 0.17 -0.21 0.00 0.70 0.00 0.00 55.95 57.30 2cqo s SER 110 Cb -0.04 -1.74 -0.07 0.00 -1.71 0.00 0.00 66.02 62.47 2cqo s SER 110 CO 0.05 0.32 1.15 -0.94 1.20 0.00 0.00 173.24 175.02 2cqo s SER 111 N -0.50 5.96 0.00 5.45 1.04 -1.26 -5.30 113.70 119.09 2cqo s SER 111 Ca 0.10 2.24 0.00 0.00 0.48 0.00 0.00 55.95 58.77 2cqo s SER 111 Cb -0.12 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.41 2cqo s SER 111 CO 0.02 -1.06 0.09 0.61 0.98 0.00 0.00 173.24 173.88