#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqo h SER -5 N 0.00 -0.21 -1.01 1.61 0.02 -2.13 -3.39 113.55 108.43 2cqo h SER -5 Ca 0.00 0.01 -0.64 0.00 -0.84 0.00 0.00 61.79 60.32 2cqo h SER -5 Cb 0.00 0.05 -0.09 0.00 0.14 0.00 0.00 62.40 62.50 2cqo h SER -5 CO 0.00 0.18 1.81 -0.44 -1.14 0.00 0.00 176.83 177.24 2cqo s SER -4 N -4.82 6.65 0.60 3.07 0.01 -1.26 -4.98 113.70 112.97 2cqo s SER -4 Ca -0.04 -1.90 -0.17 0.00 1.31 0.00 0.00 55.95 55.16 2cqo s SER -4 Cb 0.00 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 2cqo s SER -4 CO 0.11 -1.35 1.10 -0.83 0.41 0.00 0.00 173.24 172.67 2cqo s GLY -3 N 4.63 2.30 -0.85 3.44 0.00 -1.26 -4.95 107.32 110.64 2cqo s GLY -3 Ca 0.49 0.59 -0.25 0.00 0.00 0.00 0.00 44.72 45.56 2cqo s GLY -3 CO -0.02 0.94 1.30 -0.45 0.00 0.00 0.00 173.10 174.87 2cqo s SER -2 N -2.36 6.31 -0.03 1.64 0.15 -1.26 -4.84 113.70 113.32 2cqo s SER -2 Ca 0.68 -0.97 -0.22 0.00 0.70 0.00 0.00 55.95 56.14 2cqo s SER -2 Cb -0.20 -2.54 -0.25 0.00 -1.71 0.00 0.00 66.02 61.32 2cqo s SER -2 CO 0.35 -1.63 1.03 0.28 1.20 0.00 0.00 173.24 174.46 2cqo h SER -1 N 9.83 0.38 -2.61 5.45 0.02 -2.02 -3.50 113.55 121.10 2cqo h SER -1 Ca -0.08 -0.81 0.00 0.00 -0.84 0.00 0.00 61.79 60.07 2cqo h SER -1 Cb 1.04 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2cqo h SER -1 CO 1.31 1.14 0.00 0.61 -1.14 0.00 0.00 176.83 178.76 2cqo n GLY 0 N 1.17 -2.52 3.05 -3.77 0.00 -1.26 -5.12 105.19 96.74 2cqo n GLY 0 Ca -0.11 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.69 0.28 0.29 1.61 1.75 -1.26 -5.17 119.30 116.10 2cqo s MET 1 Ca 0.00 -0.03 0.01 0.00 -1.25 0.00 0.00 55.69 54.42 2cqo s MET 1 Cb 0.00 0.12 -0.02 0.00 2.84 0.00 0.00 34.83 37.77 2cqo s MET 1 CO 0.00 -0.05 0.30 -0.80 -0.65 0.00 0.00 175.02 173.82 2cqo s ASN 2 N -0.46 0.91 -0.15 1.11 -0.87 -1.26 -5.17 114.94 109.05 2cqo s ASN 2 Ca -0.05 -1.52 -0.08 0.00 -1.57 0.00 0.00 52.86 49.64 2cqo s ASN 2 Cb -0.04 0.54 0.06 0.00 -0.02 0.00 0.00 41.25 41.79 2cqo s ASN 2 CO 0.01 -1.07 0.36 -0.94 -2.57 0.00 0.00 177.10 172.89 2cqo s SER 3 N -3.25 -0.41 0.00 -1.22 1.04 -1.26 -5.12 113.70 103.48 2cqo s SER 3 Ca 0.36 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.57 2cqo s SER 3 Cb 0.03 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.83 2cqo s SER 3 CO 0.20 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.84 2cqo n GLY 4 N 4.32 1.69 3.64 7.32 0.00 -1.26 -5.17 105.19 115.74 2cqo n GLY 4 Ca -0.23 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.64 2cqo n GLY 4 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2cqo s ARG 5 N 1.65 0.27 0.91 1.61 3.00 -1.26 -5.17 118.95 119.95 2cqo s ARG 5 Ca 0.00 0.38 -0.12 0.00 -1.00 0.00 0.00 55.73 54.99 2cqo s ARG 5 Cb 0.00 0.10 0.14 0.00 0.00 0.00 0.00 34.95 35.19 2cqo s ARG 5 CO 0.00 -0.04 1.09 -1.25 0.00 0.00 0.00 175.30 175.10 2cqo s PRO 6 N 0.59 1.15 -0.56 5.12 0.04 -1.26 -5.01 135.00 135.06 2cqo s PRO 6 Ca -0.01 0.78 0.06 0.00 0.04 0.00 0.00 61.00 61.88 2cqo s PRO 6 Cb -0.04 -1.80 0.30 0.00 0.04 0.00 0.00 34.50 33.00 2cqo s PRO 6 CO -0.12 -2.30 0.83 -0.85 0.04 0.00 0.00 177.00 174.60 2cqo n GLU 7 N -3.92 2.59 -1.82 4.56 0.28 -1.26 -5.09 120.64 115.99 2cqo n GLU 7 Ca 0.07 -4.53 -0.38 0.00 -0.16 0.00 0.00 57.16 52.15 2cqo n GLU 7 Cb 0.55 -2.12 0.04 0.00 1.43 0.00 0.00 31.44 31.35 2cqo n GLU 7 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 2cqo s THR 8 N -3.37 2.15 -0.06 3.84 -4.23 -1.26 -4.95 115.64 107.77 2cqo s THR 8 Ca 0.44 0.11 0.11 0.00 -1.18 0.00 0.00 61.69 61.17 2cqo s THR 8 Cb 0.24 -3.06 -0.23 0.00 1.34 0.00 0.00 72.50 70.79 2cqo s THR 8 CO -0.09 -0.00 0.60 1.15 -0.54 0.00 0.00 174.62 175.73 2cqo n MET 9 N -1.06 0.65 -4.39 3.99 0.00 -1.26 -4.94 117.12 110.10 2cqo n MET 9 Ca 0.11 0.28 -0.23 0.00 0.00 0.00 0.00 57.70 57.86 2cqo n MET 9 Cb 0.45 -1.77 -0.11 0.00 0.00 0.00 0.00 33.22 31.80 2cqo n MET 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 2cqo s GLU 10 N -2.59 1.45 0.55 3.17 2.56 -1.26 -4.99 118.70 117.60 2cqo s GLU 10 Ca -0.07 -1.57 0.30 0.00 0.00 0.00 0.00 54.97 53.63 2cqo s GLU 10 Cb 0.08 -1.51 1.05 0.00 2.00 0.00 0.00 34.13 35.74 2cqo s GLU 10 CO 0.82 0.29 1.26 0.09 -0.56 0.00 0.00 175.26 177.17 2cqo n ASN 11 N -0.12 0.00 -4.26 -1.70 3.02 -1.26 -4.58 115.26 106.36 2cqo n ASN 11 Ca -0.10 0.76 -0.39 0.00 -0.03 0.00 0.00 54.58 54.83 2cqo n ASN 11 Cb 0.58 -0.30 0.01 0.00 -0.61 0.00 0.00 39.78 39.47 2cqo n ASN 11 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2cqo n LEU 12 N -3.28 -3.46 0.00 3.41 4.77 -1.26 -4.87 117.00 112.31 2cqo n LEU 12 Ca 0.27 0.66 0.00 0.00 -0.03 0.00 0.00 56.01 56.91 2cqo n LEU 12 Cb 1.55 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 2cqo n LEU 12 CO 0.27 -4.71 0.00 -0.81 -1.33 0.00 0.00 177.39 170.81 2cqo n PRO 13 N 1.43 -1.02 -2.99 3.23 -0.04 -1.26 -4.90 135.00 129.45 2cqo n PRO 13 Ca 0.08 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.34 2cqo n PRO 13 Cb 0.47 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.00 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 -2.97 4.62 0.56 0.55 0.00 -1.26 -4.94 121.76 118.32 2cqo s ALA 14 Ca 0.00 -2.14 -0.20 0.00 0.00 0.00 0.00 51.96 49.62 2cqo s ALA 14 Cb 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 23.12 21.57 2cqo s ALA 14 CO 0.00 -0.97 1.20 -1.17 0.00 0.00 0.00 175.76 174.82 2cqo s LEU 15 N -4.74 3.75 -1.08 0.00 2.96 -1.26 -2.57 118.68 115.74 2cqo s LEU 15 Ca 0.63 2.37 0.00 0.00 -0.22 0.00 0.00 54.13 56.90 2cqo s LEU 15 Cb -0.05 -4.51 0.00 0.00 0.50 0.00 0.00 46.19 42.12 2cqo s LEU 15 CO 0.40 -1.41 0.00 -1.22 -1.32 0.00 0.00 176.35 172.80 2cqo n TYR 16 N -1.31 -0.96 -3.04 5.38 4.01 -0.77 -4.90 117.16 115.57 2cqo n TYR 16 Ca 0.12 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.47 2cqo n TYR 16 Cb 0.49 -2.47 -0.06 0.00 -0.31 0.00 0.00 39.34 36.99 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 -2.25 4.46 -0.16 -0.72 2.01 -1.06 -4.75 115.64 113.17 2cqo s THR 17 Ca 0.00 1.60 -0.06 0.00 0.31 0.00 0.00 61.69 63.54 2cqo s THR 17 Cb 0.00 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2cqo s THR 17 CO 0.00 0.52 0.03 -0.63 -0.69 0.00 0.00 174.62 173.85 2cqo s ILE 18 N -1.07 4.49 0.21 1.82 1.01 -1.26 -1.98 121.20 124.42 2cqo s ILE 18 Ca 0.34 -0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.73 2cqo s ILE 18 Cb -0.22 -2.99 -0.00 0.00 0.01 0.00 0.00 42.46 39.25 2cqo s ILE 18 CO 0.25 0.49 0.40 0.72 0.00 0.00 0.00 174.94 176.80 2cqo s PHE 19 N 0.20 0.37 -0.20 3.97 -0.12 -0.85 -5.02 117.98 116.34 2cqo s PHE 19 Ca 0.02 -0.72 -0.06 0.00 -0.05 0.00 0.00 56.93 56.12 2cqo s PHE 19 Cb -0.13 0.09 -0.03 0.00 -0.63 0.00 0.00 43.02 42.32 2cqo s PHE 19 CO 0.01 -0.88 0.03 -1.14 -0.05 0.00 0.00 175.22 173.19 2cqo s GLN 20 N -4.00 3.74 0.08 1.99 0.74 -1.26 -1.72 119.66 119.23 2cqo s GLN 20 Ca 0.20 -0.46 0.00 0.00 0.05 0.00 0.00 55.36 55.15 2cqo s GLN 20 Cb 0.01 -3.14 -0.04 0.00 1.10 0.00 0.00 33.01 30.94 2cqo s GLN 20 CO 0.05 0.08 -0.03 0.20 -0.55 0.00 0.00 175.29 175.05 2cqo s GLY 21 N 0.84 0.68 -0.04 2.59 0.00 -0.70 -4.41 107.32 106.29 2cqo s GLY 21 Ca 0.02 -1.31 -0.01 0.00 0.00 0.00 0.00 44.72 43.41 2cqo s GLY 21 CO 0.02 -1.38 0.05 1.85 0.00 0.00 0.00 173.10 173.64 2cqo s GLU 22 N -3.91 3.01 0.22 2.90 2.12 -1.22 -1.25 118.70 120.57 2cqo s GLU 22 Ca 0.12 -0.46 -0.30 0.00 0.36 0.00 0.00 54.97 54.69 2cqo s GLU 22 Cb 0.07 -2.83 -0.10 0.00 0.26 0.00 0.00 34.13 31.53 2cqo s GLU 22 CO -0.06 0.67 1.45 0.08 -0.54 0.00 0.00 175.26 176.86 2cqo s VAL 23 N -1.07 2.75 -0.02 3.70 1.01 -0.65 -1.29 120.40 124.82 2cqo s VAL 23 Ca 0.19 0.60 0.04 0.00 0.00 0.00 0.00 61.98 62.81 2cqo s VAL 23 Cb -0.12 -3.38 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 2cqo s VAL 23 CO 0.09 0.08 0.06 0.00 0.00 0.00 0.00 175.10 175.33 2cqo n ALA 24 N 2.78 2.05 -3.12 5.51 0.00 -0.06 -2.78 120.51 124.88 2cqo n ALA 24 Ca 0.08 -0.18 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 2cqo n ALA 24 Cb 0.40 -0.01 -0.12 0.00 0.00 0.00 0.00 19.45 19.72 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 -2.22 0.23 -0.14 0.00 1.75 -1.21 -4.95 119.30 112.77 2cqo s MET 25 Ca -0.02 0.29 0.02 0.00 -1.25 0.00 0.00 55.69 54.73 2cqo s MET 25 Cb 0.02 0.10 0.01 0.00 2.84 0.00 0.00 34.83 37.80 2cqo s MET 25 CO 0.18 -0.04 -0.20 0.08 -0.65 0.00 0.00 175.02 174.39 2cqo s VAL 26 N 0.18 1.91 0.11 10.11 1.01 -1.26 -0.41 120.40 132.05 2cqo s VAL 26 Ca -0.01 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.14 2cqo s VAL 26 Cb -0.02 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2cqo s VAL 26 CO -0.00 0.52 -0.12 0.42 0.00 0.00 0.00 175.10 175.92 2cqo s THR 27 N 0.95 1.16 -1.35 3.92 -4.23 0.19 -5.00 115.64 111.28 2cqo s THR 27 Ca -0.05 -1.70 0.11 0.00 -1.18 0.00 0.00 61.69 58.88 2cqo s THR 27 Cb -0.15 -1.47 0.18 0.00 1.34 0.00 0.00 72.50 72.40 2cqo s THR 27 CO -0.04 -0.49 1.28 -0.67 -0.54 0.00 0.00 174.62 174.16 2cqo n ASP 28 N 0.51 0.00 -0.29 3.99 2.03 -1.26 -1.35 116.55 120.17 2cqo n ASP 28 Ca -0.15 0.20 0.03 0.00 0.52 0.00 0.00 54.79 55.38 2cqo n ASP 28 Cb 0.57 -0.33 0.06 0.00 -0.72 0.00 0.00 41.12 40.71 2cqo n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2cqo n TYR 29 N -1.33 0.15 -1.81 -0.67 0.18 -1.26 -4.72 117.16 107.70 2cqo n TYR 29 Ca 0.05 -0.32 0.00 0.00 1.88 0.00 0.00 57.90 59.51 2cqo n TYR 29 Cb 0.10 -0.02 0.00 0.00 -0.38 0.00 0.00 39.34 39.03 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 0.13 -0.16 3.11 -7.48 0.00 -0.46 -2.03 105.19 98.31 2cqo n GLY 30 Ca 0.05 -1.59 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.02 -0.37 -0.11 4.61 0.00 -0.77 0.56 121.76 124.66 2cqo s ALA 31 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.80 2cqo s ALA 31 Cb 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 2cqo s ALA 31 CO 0.00 -0.20 0.24 -0.06 0.00 0.00 0.00 175.76 175.74 2cqo s PHE 32 N -1.27 3.58 -0.08 0.00 0.40 0.45 -0.35 117.98 120.71 2cqo s PHE 32 Ca -0.14 0.65 0.04 0.00 -0.60 0.00 0.00 56.93 56.89 2cqo s PHE 32 Cb -0.07 -2.15 -0.00 0.00 0.51 0.00 0.00 43.02 41.31 2cqo s PHE 32 CO 0.02 0.56 -0.23 0.42 0.70 0.00 0.00 175.22 176.68 2cqo s ILE 33 N -0.56 1.97 0.06 0.64 -1.09 -0.03 -0.88 121.20 121.31 2cqo s ILE 33 Ca 0.17 -0.98 -0.27 0.00 -2.23 0.00 0.00 60.65 57.34 2cqo s ILE 33 Cb -0.13 -1.69 -0.05 0.00 -1.58 0.00 0.00 42.46 39.00 2cqo s ILE 33 CO 0.06 0.54 0.85 -0.54 -1.23 0.00 0.00 174.94 174.62 2cqo s LYS 34 N 0.21 4.57 -0.03 2.79 1.02 -0.41 -1.99 119.74 125.91 2cqo s LYS 34 Ca -0.14 1.23 -0.17 0.00 0.02 0.00 0.00 55.97 56.91 2cqo s LYS 34 Cb -0.16 -3.38 -0.05 0.00 -0.52 0.00 0.00 37.83 33.71 2cqo s LYS 34 CO 0.07 0.23 0.47 0.42 -0.92 0.00 0.00 175.35 175.61 2cqo s ILE 35 N 0.07 5.02 0.48 2.17 1.01 -1.26 -3.44 121.20 125.26 2cqo s ILE 35 Ca 0.42 0.97 -0.22 0.00 0.00 0.00 0.00 60.65 61.83 2cqo s ILE 35 Cb -0.21 -3.79 -0.07 0.00 0.01 0.00 0.00 42.46 38.39 2cqo s ILE 35 CO 0.26 0.48 1.15 -2.16 0.00 0.00 0.00 174.94 174.67 2cqo s PRO 36 N -0.45 3.64 -0.73 2.79 0.04 -1.26 -2.91 135.00 136.11 2cqo s PRO 36 Ca 0.26 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2cqo s PRO 36 Cb -0.17 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.09 2cqo s PRO 36 CO 0.14 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.94 2cqo n GLY 37 N 0.36 0.66 3.52 0.56 0.00 -1.26 -4.91 105.19 104.12 2cqo n GLY 37 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.94 0.10 -1.77 0.00 1.74 -1.26 -4.84 116.66 109.68 2cqo n ARG 39 Ca -0.06 0.04 -0.34 0.00 -0.77 0.00 0.00 57.85 56.72 2cqo n ARG 39 Cb 0.65 -0.71 0.05 0.00 -1.02 0.00 0.00 32.46 31.43 2cqo n ARG 39 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2cqo s LYS 40 N -2.09 2.68 0.22 5.56 2.47 -1.26 -4.88 119.74 122.44 2cqo s LYS 40 Ca -0.07 1.66 0.11 0.00 -1.56 0.00 0.00 55.97 56.12 2cqo s LYS 40 Cb 0.02 -1.91 -0.05 0.00 -1.46 0.00 0.00 37.83 34.44 2cqo s LYS 40 CO 0.09 -1.40 -0.19 -0.65 0.16 0.00 0.00 175.35 173.36 2cqo s GLN 41 N -3.73 1.71 0.00 4.03 -0.21 -1.26 -4.06 119.66 116.14 2cqo s GLN 41 Ca 0.73 -1.53 0.04 0.00 0.02 0.00 0.00 55.36 54.62 2cqo s GLN 41 Cb -0.27 -1.91 -0.03 0.00 1.00 0.00 0.00 33.01 31.81 2cqo s GLN 41 CO 0.39 0.39 -0.11 0.20 -2.12 0.00 0.00 175.29 174.04 2cqo s GLY 42 N -2.98 1.67 -0.08 3.09 0.00 -0.84 -4.58 107.32 103.61 2cqo s GLY 42 Ca 0.25 -1.05 -0.10 0.00 0.00 0.00 0.00 44.72 43.81 2cqo s GLY 42 CO 0.13 -0.91 0.25 -2.27 0.00 0.00 0.00 173.10 170.30 2cqo s LEU 43 N -1.30 4.41 -0.26 0.66 2.96 -0.41 -0.85 118.68 123.90 2cqo s LEU 43 Ca 0.15 0.66 -0.04 0.00 -0.22 0.00 0.00 54.13 54.68 2cqo s LEU 43 Cb -0.11 -2.28 0.01 0.00 0.50 0.00 0.00 46.19 44.31 2cqo s LEU 43 CO 0.06 0.36 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.74 2cqo s VAL 44 N -0.94 3.36 0.56 1.68 1.01 0.52 -1.62 120.40 124.96 2cqo s VAL 44 Ca 0.18 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 2cqo s VAL 44 Cb -0.14 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 2cqo s VAL 44 CO 0.07 0.21 1.17 1.57 0.00 0.00 0.00 175.10 178.13 2cqo n HIS 45 N 4.76 1.61 -0.10 5.22 -0.00 -1.26 -1.86 115.22 123.60 2cqo n HIS 45 Ca -0.16 0.45 0.05 0.00 0.46 0.00 0.00 57.72 58.51 2cqo n HIS 45 Cb 0.48 -2.26 0.38 0.00 -0.12 0.00 0.00 29.99 28.47 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 1.03 0.67 0.00 1.57 0.11 -1.76 0.06 114.38 116.05 2cqo h ARG 46 Ca -0.49 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 59.53 2cqo h ARG 46 Cb 1.33 -0.15 -0.00 0.00 1.11 0.00 0.00 29.97 32.26 2cqo h ARG 46 CO 0.54 0.44 -0.09 0.00 0.10 0.00 0.00 179.97 180.97 2cqo h THR 47 N 0.69 0.23 0.00 0.08 1.03 -1.90 -2.58 112.91 110.47 2cqo h THR 47 Ca 0.23 -0.75 0.00 0.00 -0.01 0.00 0.00 66.41 65.89 2cqo h THR 47 Cb 0.07 1.61 0.00 0.00 -1.07 0.00 0.00 68.15 68.76 2cqo h THR 47 CO -0.06 0.09 -0.87 1.41 -0.01 0.00 0.00 175.52 176.08 2cqo n HIS 48 N -3.23 0.49 -0.06 0.00 8.25 -0.08 -4.15 115.22 116.45 2cqo n HIS 48 Ca 0.00 0.14 -0.12 0.00 -0.26 0.00 0.00 57.72 57.49 2cqo n HIS 48 Cb 0.35 -0.61 -0.06 0.00 1.12 0.00 0.00 29.99 30.79 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 0.33 -6.19 -0.41 2.86 -0.88 0.41 114.93 111.06 2cqo h MET 49 Ca 0.00 -0.12 -0.50 0.00 -2.06 0.00 0.00 59.70 57.02 2cqo h MET 49 Cb 0.78 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.39 2cqo h MET 49 CO 0.00 0.57 -0.34 -1.12 1.06 0.00 0.00 176.91 177.08 2cqo s SER 50 N -5.87 5.02 0.01 1.22 0.01 -1.24 -4.14 113.70 108.70 2cqo s SER 50 Ca -0.14 -0.81 -0.06 0.00 1.31 0.00 0.00 55.95 56.25 2cqo s SER 50 Cb 0.06 -0.35 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 2cqo s SER 50 CO 0.73 -0.78 0.94 -1.28 0.41 0.00 0.00 173.24 173.25 2cqo h SER 51 N 0.90 -0.17 0.00 2.44 0.87 -1.88 -3.42 113.55 112.29 2cqo h SER 51 Ca -0.40 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2cqo h SER 51 Cb 1.27 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 2cqo h SER 51 CO 0.55 -0.11 0.00 0.00 -0.53 0.00 0.00 176.83 176.74 2cqo s ARG 53 N -1.03 4.65 -0.44 0.00 6.06 -1.26 -5.00 118.95 121.93 2cqo s ARG 53 Ca 0.00 1.46 0.03 0.00 -2.50 0.00 0.00 55.73 54.71 2cqo s ARG 53 Cb 0.00 -3.40 0.13 0.00 0.06 0.00 0.00 34.95 31.74 2cqo s ARG 53 CO 0.00 0.13 0.21 0.08 -2.50 0.00 0.00 175.30 173.22 2cqo s VAL 54 N 0.30 1.78 0.04 7.11 1.01 -1.26 -4.82 120.40 124.57 2cqo s VAL 54 Ca 0.49 -2.65 -0.29 0.00 0.00 0.00 0.00 61.98 59.53 2cqo s VAL 54 Cb -0.23 -2.26 -0.16 0.00 0.00 0.00 0.00 36.38 33.73 2cqo s VAL 54 CO 0.29 -0.82 1.42 0.44 0.00 0.00 0.00 175.10 176.44 2cqo h ASP 55 N 6.88 -0.88 -2.81 3.32 5.19 -1.97 -3.44 116.42 122.71 2cqo h ASP 55 Ca -0.05 0.03 -0.17 0.00 -0.62 0.00 0.00 57.03 56.22 2cqo h ASP 55 Cb 0.93 0.23 -0.30 0.00 0.18 0.00 0.00 39.33 40.37 2cqo h ASP 55 CO 0.55 -0.63 -0.46 -0.54 -3.12 0.00 0.00 179.24 175.04 2cqo s LYS 56 N -5.25 0.22 0.46 3.56 -0.14 -1.26 -5.03 119.74 112.31 2cqo s LYS 56 Ca -0.15 0.83 0.25 0.00 -1.36 0.00 0.00 55.97 55.53 2cqo s LYS 56 Cb 0.02 0.08 1.06 0.00 -1.68 0.00 0.00 37.83 37.31 2cqo s LYS 56 CO 0.45 -0.26 1.89 -1.00 -0.76 0.00 0.00 175.35 175.68 2cqo h PRO 57 N 8.09 0.00 0.00 -1.68 0.13 -1.85 -2.52 132.00 134.16 2cqo h PRO 57 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2cqo h PRO 57 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2cqo h PRO 57 CO 0.16 0.20 0.00 -1.13 -0.23 0.00 0.00 178.00 177.00 2cqo n SER 58 N -3.44 0.00 -0.00 1.44 3.41 -1.26 -2.49 113.62 111.27 2cqo n SER 58 Ca -0.00 -0.24 0.05 0.00 -0.26 0.00 0.00 58.87 58.41 2cqo n SER 58 Cb 0.38 -0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 64.06 2cqo n SER 58 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2cqo n GLU 59 N -1.21 3.63 0.01 4.33 -0.58 -0.95 -4.56 120.64 121.31 2cqo n GLU 59 Ca 0.13 -0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.67 2cqo n GLU 59 Cb 0.16 -0.98 -0.14 0.00 -0.57 0.00 0.00 31.44 29.91 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 0.01 0.72 -3.68 -3.67 2.04 -1.48 -3.48 117.51 107.96 2cqo h ILE 60 Ca 0.00 -2.44 -0.29 0.00 1.00 0.00 0.00 64.86 63.13 2cqo h ILE 60 Cb 0.24 2.53 -0.15 0.00 -0.74 0.00 0.00 36.82 38.71 2cqo h ILE 60 CO 0.00 0.83 -0.68 0.68 0.00 0.00 0.00 178.15 178.98 2cqo s VAL 61 N -2.57 0.78 -0.18 1.67 -7.23 -1.17 -5.14 120.40 106.56 2cqo s VAL 61 Ca -0.18 -1.99 -0.17 0.00 -1.81 0.00 0.00 61.98 57.83 2cqo s VAL 61 Cb 0.07 -2.03 0.05 0.00 0.56 0.00 0.00 36.38 35.02 2cqo s VAL 61 CO 0.79 -0.56 0.49 -1.81 -0.31 0.00 0.00 175.10 173.70 2cqo s ASP 62 N -3.16 -0.51 -0.39 4.85 1.11 -1.26 -4.69 116.67 112.62 2cqo s ASP 62 Ca 0.21 0.98 -0.44 0.00 0.18 0.00 0.00 52.55 53.48 2cqo s ASP 62 Cb 0.05 0.99 -0.18 0.00 1.07 0.00 0.00 42.92 44.85 2cqo s ASP 62 CO 0.02 -0.18 1.64 0.52 1.18 0.00 0.00 175.17 178.36 2cqo n VAL 63 N 2.78 0.12 0.00 -1.27 0.31 -1.26 -0.58 118.33 118.44 2cqo n VAL 63 Ca -0.14 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 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 4.00 2.03 3.73 2.92 0.00 -1.12 -5.01 105.19 111.75 2cqo n GLY 64 Ca 0.29 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.73 6.98 -0.17 1.61 1.01 0.26 -4.85 116.67 119.78 2cqo s ASP 65 Ca 0.00 1.18 -0.11 0.00 0.71 0.00 0.00 52.55 54.33 2cqo s ASP 65 Cb 0.00 -2.40 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 2cqo s ASP 65 CO 0.00 -0.07 0.19 -0.75 0.21 0.00 0.00 175.17 174.75 2cqo s LYS 66 N 0.58 4.08 0.19 8.23 2.20 -1.26 -1.64 119.74 132.12 2cqo s LYS 66 Ca 0.36 -0.09 -0.02 0.00 -0.36 0.00 0.00 55.97 55.86 2cqo s LYS 66 Cb -0.18 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 2cqo s LYS 66 CO 0.18 0.37 0.15 0.14 -0.36 0.00 0.00 175.35 175.82 2cqo s VAL 67 N 0.12 0.02 -0.15 4.02 -7.23 -0.38 -4.98 120.40 111.82 2cqo s VAL 67 Ca 0.12 -1.93 -0.12 0.00 -1.81 0.00 0.00 61.98 58.24 2cqo s VAL 67 Cb -0.12 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 2cqo s VAL 67 CO 0.01 -0.09 0.25 0.26 -0.31 0.00 0.00 175.10 175.22 2cqo s TRP 68 N -4.13 3.49 0.18 2.82 0.52 -1.26 -1.72 118.94 118.84 2cqo s TRP 68 Ca 0.35 0.56 0.05 0.00 0.02 0.00 0.00 56.10 57.08 2cqo s TRP 68 Cb 0.06 -2.25 -0.05 0.00 -1.15 0.00 0.00 33.47 30.09 2cqo s TRP 68 CO 0.10 0.35 -0.09 0.14 0.02 0.00 0.00 176.95 177.46 2cqo s VAL 69 N 0.12 1.27 -0.05 4.03 -7.23 -0.70 -4.68 120.40 113.16 2cqo s VAL 69 Ca 0.15 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 2cqo s VAL 69 Cb -0.13 -1.99 0.03 0.00 0.56 0.00 0.00 36.38 34.85 2cqo s VAL 69 CO 0.03 -0.63 -0.01 -0.75 -0.31 0.00 0.00 175.10 173.43 2cqo s LYS 70 N -3.75 0.58 0.21 4.82 2.20 -0.61 -2.00 119.74 121.19 2cqo s LYS 70 Ca 0.20 0.02 -0.32 0.00 -0.36 0.00 0.00 55.97 55.52 2cqo s LYS 70 Cb 0.02 -0.76 -0.12 0.00 -1.51 0.00 0.00 37.83 35.47 2cqo s LYS 70 CO 0.04 -0.17 1.69 -1.17 -0.36 0.00 0.00 175.35 175.38 2cqo s LEU 71 N 1.28 4.37 -0.11 5.43 2.96 -0.84 -1.36 118.68 130.42 2cqo s LEU 71 Ca -0.06 2.83 0.09 0.00 -0.22 0.00 0.00 54.13 56.77 2cqo s LEU 71 Cb -0.13 -3.60 -0.13 0.00 0.50 0.00 0.00 46.19 42.83 2cqo s LEU 71 CO -0.02 -0.95 0.03 2.30 -1.32 0.00 0.00 176.35 176.39 2cqo n ILE 72 N 3.87 0.73 -3.64 6.68 -5.35 -0.93 -1.84 119.36 118.88 2cqo n ILE 72 Ca 0.15 -0.44 -0.10 0.00 -0.27 0.00 0.00 62.75 62.09 2cqo n ILE 72 Cb 0.36 -0.73 -0.07 0.00 -1.74 0.00 0.00 39.64 37.45 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 -4.36 -0.25 -0.19 3.28 0.00 -1.24 -4.86 107.32 99.71 2cqo s GLY 73 Ca -0.06 2.52 -0.02 0.00 0.00 0.00 0.00 44.72 47.15 2cqo s GLY 73 CO 0.43 1.83 -0.08 0.50 0.00 0.00 0.00 173.10 175.77 2cqo s ARG 74 N 0.29 3.38 -0.06 2.90 0.52 -1.26 -1.59 118.95 123.12 2cqo s ARG 74 Ca 0.02 -0.65 -0.00 0.00 -0.52 0.00 0.00 55.73 54.58 2cqo s ARG 74 Cb -0.05 -2.86 0.03 0.00 0.52 0.00 0.00 34.95 32.59 2cqo s ARG 74 CO -0.05 -0.04 -0.01 -1.21 0.02 0.00 0.00 175.30 174.01 2cqo s GLU 75 N 1.04 0.67 -0.05 3.54 0.41 -0.62 -5.04 118.70 118.65 2cqo s GLU 75 Ca 0.00 0.03 0.04 0.00 -0.41 0.00 0.00 54.97 54.63 2cqo s GLU 75 Cb -0.15 -0.91 -0.02 0.00 -1.78 0.00 0.00 34.13 31.28 2cqo s GLU 75 CO -0.01 -0.22 -0.17 0.00 -0.49 0.00 0.00 175.26 174.37 2cqo s MET 76 N 1.56 2.51 0.13 1.61 0.23 -1.26 0.10 119.30 124.18 2cqo s MET 76 Ca -0.01 -0.76 0.10 0.00 -1.03 0.00 0.00 55.69 53.99 2cqo s MET 76 Cb -0.13 -2.32 -0.04 0.00 -1.53 0.00 0.00 34.83 30.81 2cqo s MET 76 CO -0.03 0.55 -0.22 0.21 -2.03 0.00 0.00 175.02 173.50 2cqo s LYS 77 N -0.56 1.61 0.25 3.16 2.47 0.16 -4.93 119.74 121.89 2cqo s LYS 77 Ca 0.08 -1.28 0.16 0.00 -1.56 0.00 0.00 55.97 53.37 2cqo s LYS 77 Cb -0.11 -2.01 0.86 0.00 -1.46 0.00 0.00 37.83 35.11 2cqo s LYS 77 CO 0.01 0.46 1.47 -1.71 0.16 0.00 0.00 175.35 175.74 2cqo n ASN 78 N 0.79 0.41 -0.09 1.43 5.15 -1.26 -0.98 115.26 120.71 2cqo n ASN 78 Ca -0.16 0.68 -0.08 0.00 -0.60 0.00 0.00 54.58 54.42 2cqo n ASN 78 Cb 0.53 -0.72 -0.15 0.00 -0.53 0.00 0.00 39.78 38.91 2cqo n ASN 78 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2cqo n ASP 79 N -2.05 0.25 -3.61 1.20 8.00 -1.26 -5.05 116.55 114.03 2cqo n ASP 79 Ca -0.01 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.45 2cqo n ASP 79 Cb 0.06 1.05 -0.03 0.00 -0.02 0.00 0.00 41.12 42.18 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 -2.54 0.23 -0.12 -1.24 1.70 -0.15 -5.16 118.95 111.67 2cqo s ARG 80 Ca -0.09 -0.05 -0.12 0.00 -0.47 0.00 0.00 55.73 54.99 2cqo s ARG 80 Cb 0.06 0.11 -0.05 0.00 -0.57 0.00 0.00 34.95 34.50 2cqo s ARG 80 CO 0.79 -0.09 0.27 0.42 -1.08 0.00 0.00 175.30 175.61 2cqo s ILE 81 N -1.96 5.30 -0.10 4.99 1.01 -1.26 0.37 121.20 129.55 2cqo s ILE 81 Ca 0.09 0.51 0.03 0.00 0.00 0.00 0.00 60.65 61.28 2cqo s ILE 81 Cb -0.01 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.88 2cqo s ILE 81 CO -0.04 0.48 -0.21 -0.54 0.00 0.00 0.00 174.94 174.63 2cqo s LYS 82 N -0.18 2.73 -0.10 2.79 3.01 0.12 -4.92 119.74 123.18 2cqo s LYS 82 Ca 0.17 -0.77 0.03 0.00 -1.01 0.00 0.00 55.97 54.40 2cqo s LYS 82 Cb -0.13 -2.12 -0.00 0.00 -1.01 0.00 0.00 37.83 34.56 2cqo s LYS 82 CO 0.05 0.11 -0.22 0.08 0.51 0.00 0.00 175.35 175.89 2cqo s VAL 83 N 0.51 2.27 -0.17 3.17 1.01 -1.26 -1.59 120.40 124.33 2cqo s VAL 83 Ca -0.16 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.75 2cqo s VAL 83 Cb -0.17 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 2cqo s VAL 83 CO 0.06 0.55 0.25 -0.44 0.00 0.00 0.00 175.10 175.52 2cqo s SER 84 N 0.29 6.37 0.14 3.32 0.01 -0.62 -1.28 113.70 121.91 2cqo s SER 84 Ca -0.16 0.43 0.08 0.00 1.31 0.00 0.00 55.95 57.61 2cqo s SER 84 Cb -0.17 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 2cqo s SER 84 CO 0.08 0.11 -0.18 -0.76 0.41 0.00 0.00 173.24 172.90 2cqo s LEU 85 N 0.48 2.38 0.17 2.44 1.43 -0.64 -2.18 118.68 122.77 2cqo s LEU 85 Ca 0.14 -0.79 0.10 0.00 -1.03 0.00 0.00 54.13 52.55 2cqo s LEU 85 Cb -0.12 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.25 2cqo s LEU 85 CO 0.02 -0.02 -0.22 -0.44 0.23 0.00 0.00 176.35 175.92 2cqo s SER 86 N -2.36 3.08 0.00 2.29 0.01 -0.46 -4.06 113.70 112.19 2cqo s SER 86 Ca 0.11 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.54 2cqo s SER 86 Cb -0.07 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2cqo s SER 86 CO 0.05 0.07 0.00 0.23 0.41 0.00 0.00 173.24 174.00 2cqo n MET 87 N 0.42 2.55 0.00 12.44 2.81 -0.93 -1.57 117.12 132.84 2cqo n MET 87 Ca -0.14 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 55.88 2cqo n MET 87 Cb 0.56 -0.84 0.62 0.00 -0.71 0.00 0.00 33.22 32.84 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 -1.42 0.24 -0.52 0.03 2.85 0.09 -2.80 118.16 116.64 2cqo n LYS 88 Ca 0.00 0.05 0.08 0.00 -1.05 0.00 0.00 58.31 57.39 2cqo n LYS 88 Cb 0.27 -1.50 0.28 0.00 -0.65 0.00 0.00 35.03 33.43 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 -1.36 2.34 -3.86 0.58 0.24 -1.26 -4.90 118.33 110.11 2cqo n VAL 89 Ca 0.10 -1.79 -0.12 0.00 -2.04 0.00 0.00 64.34 60.50 2cqo n VAL 89 Cb 0.24 -0.24 -0.12 0.00 -1.47 0.00 0.00 33.84 32.25 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 -2.78 0.04 -0.10 3.34 1.01 -1.12 -2.65 120.40 118.13 2cqo s VAL 90 Ca 0.44 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 2cqo s VAL 90 Cb 0.35 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.46 2cqo s VAL 90 CO 0.10 -0.17 1.18 0.21 0.00 0.00 0.00 175.10 176.43 2cqo s ASN 91 N -0.53 7.05 -0.21 3.32 3.04 -1.10 -4.91 114.94 121.60 2cqo s ASN 91 Ca -0.06 1.72 -0.00 0.00 0.04 0.00 0.00 52.86 54.55 2cqo s ASN 91 Cb -0.04 -2.55 0.16 0.00 -1.54 0.00 0.00 41.25 37.28 2cqo s ASN 91 CO 0.00 -0.62 1.91 0.00 -3.04 0.00 0.00 177.10 175.36 2cqo n GLN 92 N 5.62 1.53 0.00 0.43 1.13 -1.26 -1.95 117.38 122.88 2cqo n GLN 92 Ca 0.12 -1.06 0.00 0.00 -1.94 0.00 0.00 57.00 54.11 2cqo n GLN 92 Cb 0.46 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 29.39 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 0.60 0.06 0.00 1.08 0.00 -1.26 -4.96 105.19 100.71 2cqo n GLY 93 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.91 0.00 -1.31 2.61 -2.24 -1.25 -5.04 114.28 106.14 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 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 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 2.12 0.82 3.80 3.38 0.00 -0.82 -5.03 105.19 109.45 2cqo n GLY 95 Ca 0.00 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.88 4.09 -0.01 1.61 2.47 -1.26 -4.79 119.74 118.97 2cqo s LYS 96 Ca 0.00 0.48 -0.32 0.00 -1.56 0.00 0.00 55.97 54.57 2cqo s LYS 96 Cb 0.00 -3.29 -0.10 0.00 -1.46 0.00 0.00 37.83 32.98 2cqo s LYS 96 CO 0.00 0.53 1.92 -3.47 0.16 0.00 0.00 175.35 174.48 2cqo n ASP 97 N 2.35 3.82 0.03 1.43 -0.08 -1.26 -2.69 116.55 120.14 2cqo n ASP 97 Ca -0.11 0.94 0.11 0.00 -1.51 0.00 0.00 54.79 54.22 2cqo n ASP 97 Cb 0.52 -1.46 0.06 0.00 2.34 0.00 0.00 41.12 42.58 2cqo n ASP 97 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2cqo n LEU 98 N 6.90 0.63 -3.55 -2.67 4.77 -1.09 -4.53 117.00 117.46 2cqo n LEU 98 Ca 0.21 -0.01 -0.27 0.00 -0.03 0.00 0.00 56.01 55.91 2cqo n LEU 98 Cb 0.35 -0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.23 2cqo n LEU 98 CO 0.70 0.05 -0.11 -0.90 -1.33 0.00 0.00 177.39 175.80 2cqo n ASP 99 N -1.91 1.93 0.00 -1.43 5.75 -1.25 -4.92 116.55 114.72 2cqo n ASP 99 Ca 0.03 -2.99 0.07 0.00 -0.01 0.00 0.00 54.79 51.89 2cqo n ASP 99 Cb 0.42 -0.67 0.43 0.00 -1.03 0.00 0.00 41.12 40.27 2cqo n ASP 99 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2cqo n PRO 100 N 1.80 0.49 -0.10 0.11 -0.04 -1.26 -2.53 135.00 133.47 2cqo n PRO 100 Ca 0.25 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.59 2cqo n PRO 100 Cb 0.42 -1.46 -0.11 0.00 -0.04 0.00 0.00 33.50 32.31 2cqo n PRO 100 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2cqo n ASN 101 N -0.96 1.69 -3.44 3.54 4.13 -1.26 -5.03 115.26 113.92 2cqo n ASN 101 Ca 0.11 -0.06 -0.18 0.00 1.68 0.00 0.00 54.58 56.12 2cqo n ASN 101 Cb 0.05 0.22 0.07 0.00 -1.54 0.00 0.00 39.78 38.58 2cqo n ASN 101 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2cqo n ASN 102 N -2.90 -3.16 -0.00 6.41 3.02 -1.05 -4.92 115.26 112.65 2cqo n ASN 102 Ca -0.33 -0.70 0.04 0.00 -0.03 0.00 0.00 54.58 53.56 2cqo n ASN 102 Cb 0.97 -4.88 -0.06 0.00 -0.61 0.00 0.00 39.78 35.19 2cqo n ASN 102 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2cqo n VAL 103 N -3.94 0.00 -0.06 2.41 0.31 -1.26 -4.63 118.33 111.17 2cqo n VAL 103 Ca -0.23 -0.23 -0.17 0.00 -0.01 0.00 0.00 64.34 63.70 2cqo n VAL 103 Cb 0.66 0.51 -0.13 0.00 -0.91 0.00 0.00 33.84 33.96 2cqo n VAL 103 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2cqo h ILE 104 N 0.00 1.49 -0.68 2.52 5.03 -1.98 -3.27 117.51 120.62 2cqo h ILE 104 Ca 0.00 -2.33 0.20 0.00 -0.12 0.00 0.00 64.86 62.60 2cqo h ILE 104 Cb 0.33 3.03 -0.03 0.00 -3.03 0.00 0.00 36.82 37.13 2cqo h ILE 104 CO 0.00 0.56 0.67 0.16 -0.68 0.00 0.00 178.15 178.86 2cqo h ILE 105 N -0.87 0.31 0.02 -0.67 -0.00 -2.00 -0.05 117.51 114.26 2cqo h ILE 105 Ca -0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.73 2cqo h ILE 105 Cb 1.21 0.48 0.00 0.00 -0.00 0.00 0.00 36.82 38.51 2cqo h ILE 105 CO -0.03 0.00 -0.01 -0.08 -0.00 0.00 0.00 178.15 178.03 2cqo h GLU 106 N 0.00 -0.03 -6.46 0.16 4.81 -1.82 -3.47 114.58 107.77 2cqo h GLU 106 Ca 0.32 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 59.10 2cqo h GLU 106 Cb 1.67 0.01 -0.18 0.00 0.63 0.00 0.00 28.75 30.87 2cqo h GLU 106 CO -0.00 0.67 -0.71 0.45 -0.73 0.00 0.00 179.01 178.69 2cqo n SER 107 N -4.75 0.32 0.00 1.04 2.88 -0.03 -4.51 113.62 108.57 2cqo n SER 107 Ca -0.09 -0.94 0.00 0.00 -1.33 0.00 0.00 58.87 56.51 2cqo n SER 107 Cb 0.35 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 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 -1.94 0.68 3.77 0.46 0.00 -1.26 -4.62 105.19 102.29 2cqo n GLY 108 Ca -0.18 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 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 3.31 -0.03 1.61 0.04 -1.26 -4.99 135.00 133.67 2cqo s PRO 109 Ca 0.00 1.59 -0.22 0.00 0.04 0.00 0.00 61.00 62.41 2cqo s PRO 109 Cb 0.00 -2.00 -0.15 0.00 0.04 0.00 0.00 34.50 32.39 2cqo s PRO 109 CO 0.00 -0.88 0.97 1.03 0.04 0.00 0.00 177.00 178.16 2cqo h SER 110 N 1.09 -0.26 -0.88 6.66 0.87 -1.90 -3.42 113.55 115.71 2cqo h SER 110 Ca -0.50 -0.27 -0.52 0.00 -1.23 0.00 0.00 61.79 59.28 2cqo h SER 110 Cb 1.26 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 63.25 2cqo h SER 110 CO 0.57 0.22 1.64 -0.24 -0.53 0.00 0.00 176.83 178.49 2cqo n SER 111 N -5.01 1.49 0.00 6.23 2.88 -1.26 -5.24 113.62 112.71 2cqo n SER 111 Ca -0.08 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 2cqo n SER 111 Cb 0.26 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 2cqo n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42