#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 5.68 0.13 1.61 1.04 -1.26 -4.87 113.70 116.03 2cqo s SER -5 Ca 0.00 -1.88 -0.02 0.00 0.48 0.00 0.00 55.95 54.54 2cqo s SER -5 Cb 0.00 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 2cqo s SER -5 CO 0.00 -2.39 0.07 -0.55 0.98 0.00 0.00 173.24 171.35 2cqo s SER -4 N 5.76 0.29 0.32 7.02 0.15 -1.26 -5.12 113.70 120.86 2cqo s SER -4 Ca 0.63 -1.18 -0.20 0.00 0.70 0.00 0.00 55.95 55.90 2cqo s SER -4 Cb 0.01 0.30 -0.14 0.00 -1.71 0.00 0.00 66.02 64.48 2cqo s SER -4 CO 0.10 -0.74 0.14 0.61 1.20 0.00 0.00 173.24 174.55 2cqo n GLY -3 N -0.10 -2.24 3.52 9.45 0.00 -1.26 -4.98 105.19 109.58 2cqo n GLY -3 Ca -0.06 0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.87 3.39 0.72 1.61 0.01 -1.26 -5.16 113.70 112.14 2cqo s SER -2 Ca 0.52 -1.25 -0.02 0.00 1.31 0.00 0.00 55.95 56.51 2cqo s SER -2 Cb -0.60 -0.29 0.11 0.00 0.21 0.00 0.00 66.02 65.45 2cqo s SER -2 CO 0.54 -0.33 0.99 -0.94 0.41 0.00 0.00 173.24 173.92 2cqo s SER -1 N -3.58 4.42 -0.75 2.44 1.04 -1.26 -5.05 113.70 110.97 2cqo s SER -1 Ca 0.33 -0.17 -0.10 0.00 0.48 0.00 0.00 55.95 56.49 2cqo s SER -1 Cb 0.05 -0.29 0.20 0.00 0.10 0.00 0.00 66.02 66.08 2cqo s SER -1 CO 0.16 -1.81 0.64 -0.83 0.98 0.00 0.00 173.24 172.38 2cqo s GLY 0 N -4.68 2.61 -1.08 7.32 0.00 -1.26 -4.99 107.32 105.24 2cqo s GLY 0 Ca 0.65 -3.31 -0.14 0.00 0.00 0.00 0.00 44.72 41.93 2cqo s GLY 0 CO 0.44 1.20 1.20 1.06 0.00 0.00 0.00 173.10 177.00 2cqo s MET 1 N 0.06 3.95 0.02 2.90 -1.94 -1.26 -4.98 119.30 118.05 2cqo s MET 1 Ca 0.18 -2.55 0.02 0.00 -1.71 0.00 0.00 55.69 51.63 2cqo s MET 1 Cb -0.14 -4.83 -0.01 0.00 2.01 0.00 0.00 34.83 31.86 2cqo s MET 1 CO -0.07 -1.58 -0.08 0.54 -0.01 0.00 0.00 175.02 173.83 2cqo s ASN 2 N 2.54 0.86 0.96 3.03 4.22 -1.26 -5.15 114.94 120.14 2cqo s ASN 2 Ca 0.34 -0.30 -0.12 0.00 -2.14 0.00 0.00 52.86 50.65 2cqo s ASN 2 Cb -0.06 -0.04 0.17 0.00 1.28 0.00 0.00 41.25 42.59 2cqo s ASN 2 CO -0.05 -0.02 1.09 -0.94 -2.04 0.00 0.00 177.10 175.13 2cqo s SER 3 N -0.74 2.83 -0.76 3.54 1.04 -1.26 -4.78 113.70 113.57 2cqo s SER 3 Ca -0.02 1.62 -0.25 0.00 0.48 0.00 0.00 55.95 57.78 2cqo s SER 3 Cb -0.06 -2.27 -0.16 0.00 0.10 0.00 0.00 66.02 63.63 2cqo s SER 3 CO 0.00 -3.06 2.47 0.61 0.98 0.00 0.00 173.24 174.24 2cqo n GLY 4 N -0.48 -0.17 3.94 7.32 0.00 -1.26 -4.90 105.19 109.64 2cqo n GLY 4 Ca 0.07 0.66 -0.25 0.00 0.00 0.00 0.00 46.02 46.50 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 8.45 3.50 0.92 1.61 0.52 -1.26 -5.10 118.95 127.60 2cqo s ARG 5 Ca 1.13 -0.39 -0.12 0.00 -0.52 0.00 0.00 55.73 55.83 2cqo s ARG 5 Cb -0.58 -2.79 0.14 0.00 0.52 0.00 0.00 34.95 32.24 2cqo s ARG 5 CO 0.34 0.32 1.09 -1.25 0.02 0.00 0.00 175.30 175.83 2cqo s PRO 6 N -3.73 1.03 -0.17 3.54 0.04 -1.26 -5.06 135.00 129.39 2cqo s PRO 6 Ca 0.38 0.74 -0.01 0.00 0.04 0.00 0.00 61.00 62.16 2cqo s PRO 6 Cb -0.10 -1.79 0.04 0.00 0.04 0.00 0.00 34.50 32.69 2cqo s PRO 6 CO 0.31 -2.38 -0.05 -2.00 0.04 0.00 0.00 177.00 172.93 2cqo s GLU 7 N -4.94 1.40 -0.13 4.56 2.12 -1.26 -4.99 118.70 115.46 2cqo s GLU 7 Ca 0.64 -0.53 -0.07 0.00 0.36 0.00 0.00 54.97 55.37 2cqo s GLU 7 Cb -0.18 -2.02 -0.06 0.00 0.26 0.00 0.00 34.13 32.13 2cqo s GLU 7 CO 0.57 -0.45 -0.18 0.25 -0.54 0.00 0.00 175.26 174.91 2cqo n THR 8 N 4.87 0.81 -0.43 -1.70 -2.24 -1.26 -5.04 114.28 109.29 2cqo n THR 8 Ca -0.12 -0.16 -0.18 0.00 -2.27 0.00 0.00 64.05 61.31 2cqo n THR 8 Cb 0.48 -1.71 0.18 0.00 -2.10 0.00 0.00 70.33 67.17 2cqo n THR 8 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2cqo n MET 9 N -3.65 -2.13 -0.69 -0.78 2.81 -1.26 -4.91 117.12 106.51 2cqo n MET 9 Ca -0.26 -0.87 -0.31 0.00 -1.81 0.00 0.00 57.70 54.45 2cqo n MET 9 Cb 0.67 -1.55 0.15 0.00 -0.71 0.00 0.00 33.22 31.78 2cqo n MET 9 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2cqo n GLU 10 N -2.27 -1.55 -0.38 0.03 -0.58 -1.26 -4.83 120.64 109.80 2cqo n GLU 10 Ca 0.08 -0.44 0.02 0.00 -0.42 0.00 0.00 57.16 56.40 2cqo n GLU 10 Cb 0.36 -1.56 0.16 0.00 -0.57 0.00 0.00 31.44 29.84 2cqo n GLU 10 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2cqo n ASN 11 N -0.90 2.99 -4.28 1.62 4.13 -1.26 -4.97 115.26 112.59 2cqo n ASN 11 Ca 0.01 -2.40 -0.38 0.00 1.68 0.00 0.00 54.58 53.49 2cqo n ASN 11 Cb 0.59 -0.58 0.03 0.00 -1.54 0.00 0.00 39.78 38.28 2cqo n ASN 11 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2cqo n LEU 12 N 0.24 -2.48 0.00 3.41 4.77 -1.26 -4.96 117.00 116.72 2cqo n LEU 12 Ca 0.12 0.57 -0.13 0.00 -0.03 0.00 0.00 56.01 56.54 2cqo n LEU 12 Cb 0.66 -0.96 0.11 0.00 -2.33 0.00 0.00 43.42 40.90 2cqo n LEU 12 CO 0.14 -4.40 0.26 -0.81 -1.33 0.00 0.00 177.39 171.25 2cqo n PRO 13 N 0.96 -1.94 -2.63 3.23 -0.04 -1.26 -5.07 135.00 128.25 2cqo n PRO 13 Ca 0.07 -0.75 -0.22 0.00 -0.04 0.00 0.00 63.50 62.56 2cqo n PRO 13 Cb 0.49 -0.71 0.07 0.00 -0.04 0.00 0.00 33.50 33.32 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 -2.99 3.85 0.39 0.55 0.00 -1.26 -5.02 121.76 117.27 2cqo s ALA 14 Ca 0.31 -1.54 -0.27 0.00 0.00 0.00 0.00 51.96 50.46 2cqo s ALA 14 Cb -0.03 -2.02 -0.09 0.00 0.00 0.00 0.00 23.12 20.98 2cqo s ALA 14 CO 0.23 -1.07 1.31 -1.17 0.00 0.00 0.00 175.76 175.06 2cqo s LEU 15 N -4.93 4.27 -1.71 0.00 2.96 -1.26 -2.42 118.68 115.58 2cqo s LEU 15 Ca 0.61 2.67 0.00 0.00 -0.22 0.00 0.00 54.13 57.19 2cqo s LEU 15 Cb -0.08 -3.84 0.00 0.00 0.50 0.00 0.00 46.19 42.77 2cqo s LEU 15 CO 0.41 -0.78 0.00 -1.22 -1.32 0.00 0.00 176.35 173.45 2cqo n TYR 16 N 0.29 -0.46 -3.30 5.38 4.01 -0.58 -4.97 117.16 117.54 2cqo n TYR 16 Ca 0.03 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.38 2cqo n TYR 16 Cb 0.43 -3.33 -0.06 0.00 -0.31 0.00 0.00 39.34 36.07 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 -2.79 4.98 -0.22 -0.72 2.01 -1.02 -4.73 115.64 113.16 2cqo s THR 17 Ca 0.00 1.09 -0.09 0.00 0.31 0.00 0.00 61.69 63.00 2cqo s THR 17 Cb 0.00 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 2cqo s THR 17 CO 0.00 0.44 0.12 -0.63 -0.69 0.00 0.00 174.62 173.87 2cqo s ILE 18 N -0.26 5.15 0.11 1.82 1.01 -1.26 -1.84 121.20 125.93 2cqo s ILE 18 Ca 0.28 0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.99 2cqo s ILE 18 Cb -0.17 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 2cqo s ILE 18 CO 0.15 0.39 0.11 0.72 0.00 0.00 0.00 174.94 176.31 2cqo s PHE 19 N 0.81 0.54 -0.26 3.97 -0.12 -0.63 -4.99 117.98 117.29 2cqo s PHE 19 Ca 0.06 -0.96 -0.10 0.00 -0.05 0.00 0.00 56.93 55.88 2cqo s PHE 19 Cb -0.13 -0.28 -0.05 0.00 -0.63 0.00 0.00 43.02 41.93 2cqo s PHE 19 CO 0.02 -0.53 0.17 -1.14 -0.05 0.00 0.00 175.22 173.69 2cqo s GLN 20 N -3.96 3.97 0.19 1.99 0.74 -1.26 -2.05 119.66 119.28 2cqo s GLN 20 Ca 0.15 -0.32 0.03 0.00 0.05 0.00 0.00 55.36 55.27 2cqo s GLN 20 Cb 0.06 -3.58 -0.05 0.00 1.10 0.00 0.00 33.01 30.54 2cqo s GLN 20 CO -0.04 -0.09 -0.02 0.20 -0.55 0.00 0.00 175.29 174.79 2cqo s GLY 21 N 1.47 1.33 -0.09 2.59 0.00 -0.79 -4.08 107.32 107.76 2cqo s GLY 21 Ca 0.07 -1.64 -0.01 0.00 0.00 0.00 0.00 44.72 43.14 2cqo s GLY 21 CO 0.08 -1.60 -0.05 1.85 0.00 0.00 0.00 173.10 173.37 2cqo s GLU 22 N -3.86 3.01 0.23 2.90 2.12 -1.08 -1.29 118.70 120.73 2cqo s GLU 22 Ca 0.24 -0.52 -0.31 0.00 0.36 0.00 0.00 54.97 54.74 2cqo s GLU 22 Cb 0.05 -2.69 -0.11 0.00 0.26 0.00 0.00 34.13 31.64 2cqo s GLU 22 CO 0.05 0.56 1.54 0.08 -0.54 0.00 0.00 175.26 176.95 2cqo s VAL 23 N -0.53 2.45 -0.00 3.70 1.01 -0.79 -0.59 120.40 125.66 2cqo s VAL 23 Ca 0.08 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.44 2cqo s VAL 23 Cb -0.12 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 2cqo s VAL 23 CO 0.02 0.05 0.03 0.00 0.00 0.00 0.00 175.10 175.20 2cqo n ALA 24 N 2.89 2.05 -3.19 5.51 0.00 -0.50 -2.39 120.51 124.87 2cqo n ALA 24 Ca 0.10 -0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.37 2cqo n ALA 24 Cb 0.39 -0.03 -0.11 0.00 0.00 0.00 0.00 19.45 19.69 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 -2.10 0.34 -0.14 0.00 1.75 -1.24 -4.92 119.30 112.98 2cqo s MET 25 Ca -0.01 0.41 0.02 0.00 -1.25 0.00 0.00 55.69 54.86 2cqo s MET 25 Cb 0.01 0.16 0.01 0.00 2.84 0.00 0.00 34.83 37.85 2cqo s MET 25 CO 0.06 -0.04 -0.20 0.08 -0.65 0.00 0.00 175.02 174.27 2cqo s VAL 26 N 0.19 1.93 0.24 10.11 1.01 -1.26 -0.17 120.40 132.44 2cqo s VAL 26 Ca -0.00 -0.89 0.10 0.00 0.00 0.00 0.00 61.98 61.18 2cqo s VAL 26 Cb -0.02 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 2cqo s VAL 26 CO 0.00 0.52 -0.18 0.42 0.00 0.00 0.00 175.10 175.87 2cqo s THR 27 N 0.96 2.10 -2.00 3.92 -4.23 0.15 -5.00 115.64 111.54 2cqo s THR 27 Ca -0.04 -2.27 0.18 0.00 -1.18 0.00 0.00 61.69 58.38 2cqo s THR 27 Cb -0.15 -2.15 0.52 0.00 1.34 0.00 0.00 72.50 72.07 2cqo s THR 27 CO -0.04 -0.47 1.50 0.47 -0.54 0.00 0.00 174.62 175.54 2cqo n ASP 28 N -0.42 0.00 -0.04 3.99 8.00 -1.26 -2.13 116.55 124.69 2cqo n ASP 28 Ca -0.07 -0.68 0.01 0.00 0.71 0.00 0.00 54.79 54.76 2cqo n ASP 28 Cb 0.60 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.71 2cqo n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cqo n TYR 29 N -0.96 0.00 -2.41 1.24 0.18 -1.26 -4.63 117.16 109.32 2cqo n TYR 29 Ca 0.14 -0.34 0.00 0.00 1.88 0.00 0.00 57.90 59.58 2cqo n TYR 29 Cb 0.06 -0.04 0.00 0.00 -0.38 0.00 0.00 39.34 38.98 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 -0.38 -0.30 3.27 -7.48 0.00 -0.90 -1.62 105.19 97.77 2cqo n GLY 30 Ca 0.02 -1.48 -0.14 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.88 -0.04 4.61 0.00 -0.73 0.34 121.76 124.05 2cqo s ALA 31 Ca 0.00 0.44 -0.15 0.00 0.00 0.00 0.00 51.96 52.25 2cqo s ALA 31 Cb 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 2cqo s ALA 31 CO 0.00 -0.27 0.40 -0.06 0.00 0.00 0.00 175.76 175.84 2cqo s PHE 32 N -1.27 3.65 -0.10 0.00 0.40 0.76 0.08 117.98 121.50 2cqo s PHE 32 Ca -0.13 0.92 0.03 0.00 -0.60 0.00 0.00 56.93 57.16 2cqo s PHE 32 Cb -0.05 -2.34 0.00 0.00 0.51 0.00 0.00 43.02 41.15 2cqo s PHE 32 CO 0.05 0.51 -0.21 0.42 0.70 0.00 0.00 175.22 176.68 2cqo s ILE 33 N -0.57 1.88 -0.03 0.64 -1.09 -0.19 -1.41 121.20 120.44 2cqo s ILE 33 Ca 0.23 -0.91 -0.27 0.00 -2.23 0.00 0.00 60.65 57.47 2cqo s ILE 33 Cb -0.16 -1.64 -0.03 0.00 -1.58 0.00 0.00 42.46 39.05 2cqo s ILE 33 CO 0.12 0.52 0.87 -0.54 -1.23 0.00 0.00 174.94 174.68 2cqo s LYS 34 N 0.46 4.51 0.07 2.79 1.02 0.24 -2.41 119.74 126.43 2cqo s LYS 34 Ca -0.17 1.21 -0.22 0.00 0.02 0.00 0.00 55.97 56.82 2cqo s LYS 34 Cb -0.17 -3.46 -0.06 0.00 -0.52 0.00 0.00 37.83 33.61 2cqo s LYS 34 CO 0.07 -0.01 0.65 0.42 -0.92 0.00 0.00 175.35 175.55 2cqo s ILE 35 N 0.96 4.70 -0.27 2.17 1.01 -1.26 -2.64 121.20 125.87 2cqo s ILE 35 Ca 0.46 1.38 -0.29 0.00 0.00 0.00 0.00 60.65 62.21 2cqo s ILE 35 Cb -0.20 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 2cqo s ILE 35 CO 0.24 0.49 1.65 -2.16 0.00 0.00 0.00 174.94 175.16 2cqo s PRO 36 N -0.75 3.64 0.00 2.79 0.04 -1.26 -3.13 135.00 136.34 2cqo s PRO 36 Ca 0.32 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.88 2cqo s PRO 36 Cb -0.20 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.26 2cqo s PRO 36 CO 0.21 -1.49 0.00 0.41 0.04 0.00 0.00 177.00 176.17 2cqo n GLY 37 N 4.93 0.76 3.56 0.56 0.00 -1.26 -5.08 105.19 108.67 2cqo n GLY 37 Ca 0.20 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.54 1.52 -3.25 0.00 5.12 -1.26 -4.91 116.66 113.34 2cqo n ARG 39 Ca -0.01 0.01 -0.36 0.00 -1.93 0.00 0.00 57.85 55.57 2cqo n ARG 39 Cb 0.61 -1.09 -0.06 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 -2.08 4.10 0.28 5.56 2.47 -1.26 -5.04 119.74 123.76 2cqo s LYS 40 Ca -0.04 0.65 0.08 0.00 -1.56 0.00 0.00 55.97 55.10 2cqo s LYS 40 Cb 0.01 -2.92 -0.04 0.00 -1.46 0.00 0.00 37.83 33.43 2cqo s LYS 40 CO 0.11 0.45 0.15 -0.65 0.16 0.00 0.00 175.35 175.57 2cqo s GLN 41 N -1.95 2.67 -0.01 4.03 1.11 -1.26 -4.44 119.66 119.81 2cqo s GLN 41 Ca 0.40 -1.23 0.06 0.00 0.01 0.00 0.00 55.36 54.59 2cqo s GLN 41 Cb -0.16 -2.40 -0.03 0.00 -1.01 0.00 0.00 33.01 29.41 2cqo s GLN 41 CO 0.20 0.32 -0.17 0.20 0.01 0.00 0.00 175.29 175.85 2cqo s GLY 42 N -3.82 1.52 -0.04 3.09 0.00 -1.01 -4.70 107.32 102.36 2cqo s GLY 42 Ca 0.34 -1.09 -0.15 0.00 0.00 0.00 0.00 44.72 43.82 2cqo s GLY 42 CO 0.24 -0.93 0.40 -2.27 0.00 0.00 0.00 173.10 170.54 2cqo s LEU 43 N -1.03 4.42 -0.38 0.66 2.96 -0.57 -1.02 118.68 123.72 2cqo s LEU 43 Ca 0.13 0.88 -0.06 0.00 -0.22 0.00 0.00 54.13 54.86 2cqo s LEU 43 Cb -0.10 -2.56 0.07 0.00 0.50 0.00 0.00 46.19 44.09 2cqo s LEU 43 CO 0.02 0.26 0.18 -0.69 -1.32 0.00 0.00 176.35 174.80 2cqo s VAL 44 N -0.69 3.77 0.48 1.68 1.01 0.11 -1.12 120.40 125.64 2cqo s VAL 44 Ca 0.23 -1.46 -0.22 0.00 0.00 0.00 0.00 61.98 60.53 2cqo s VAL 44 Cb -0.16 -3.30 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 2cqo s VAL 44 CO 0.12 -0.41 0.87 1.57 0.00 0.00 0.00 175.10 177.25 2cqo n HIS 45 N 4.79 0.63 0.12 5.22 -0.00 -1.25 -1.77 115.22 122.95 2cqo n HIS 45 Ca -0.09 0.52 0.05 0.00 0.46 0.00 0.00 57.72 58.66 2cqo n HIS 45 Cb 0.43 -2.14 0.51 0.00 -0.12 0.00 0.00 29.99 28.67 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 1.05 0.28 0.00 1.57 -0.00 -1.66 -0.38 114.38 115.24 2cqo h ARG 46 Ca -0.45 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.98 59.49 2cqo h ARG 46 Cb 1.36 -0.06 -0.00 0.00 -0.00 0.00 0.00 29.97 31.26 2cqo h ARG 46 CO 0.54 0.21 -0.11 0.00 -0.00 0.00 0.00 179.97 180.61 2cqo h THR 47 N 0.29 0.38 0.00 0.08 1.03 -1.88 -2.66 112.91 110.14 2cqo h THR 47 Ca 0.08 -0.65 -0.13 0.00 -0.01 0.00 0.00 66.41 65.69 2cqo h THR 47 Cb 0.01 1.48 -0.02 0.00 -1.07 0.00 0.00 68.15 68.54 2cqo h THR 47 CO -0.01 0.11 -1.71 1.41 -0.01 0.00 0.00 175.52 175.30 2cqo n HIS 48 N -3.38 0.50 -0.08 0.00 8.25 -0.28 -4.37 115.22 115.86 2cqo n HIS 48 Ca -0.01 0.16 -0.07 0.00 -0.26 0.00 0.00 57.72 57.54 2cqo n HIS 48 Cb 0.29 -0.88 -0.01 0.00 1.12 0.00 0.00 29.99 30.52 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 -0.21 -4.96 -0.41 2.86 -0.85 0.15 114.93 111.50 2cqo h MET 49 Ca -0.16 0.01 -0.39 0.00 -2.06 0.00 0.00 59.70 57.10 2cqo h MET 49 Cb 1.45 0.05 -0.25 0.00 0.06 0.00 0.00 31.60 32.91 2cqo h MET 49 CO 0.02 -0.14 -0.77 -1.12 1.06 0.00 0.00 176.91 175.96 2cqo s SER 50 N -5.07 1.29 0.00 1.22 0.01 -1.25 -3.89 113.70 106.01 2cqo s SER 50 Ca -0.15 -0.40 -0.25 0.00 1.31 0.00 0.00 55.95 56.47 2cqo s SER 50 Cb 0.13 -0.07 -0.15 0.00 0.21 0.00 0.00 66.02 66.14 2cqo s SER 50 CO 0.69 -0.01 1.09 0.28 0.41 0.00 0.00 173.24 175.69 2cqo h SER 51 N 5.08 -0.61 -2.20 2.44 0.02 -1.83 -3.46 113.55 112.99 2cqo h SER 51 Ca -0.35 -0.05 -0.23 0.00 -0.84 0.00 0.00 61.79 60.32 2cqo h SER 51 Cb 1.19 0.16 0.14 0.00 0.14 0.00 0.00 62.40 64.02 2cqo h SER 51 CO 0.45 -0.22 -0.11 0.00 -1.14 0.00 0.00 176.83 175.80 2cqo s ARG 53 N -4.27 3.09 -0.04 0.00 1.70 -1.26 -5.02 118.95 113.15 2cqo s ARG 53 Ca 0.42 2.24 0.05 0.00 -0.47 0.00 0.00 55.73 57.98 2cqo s ARG 53 Cb -0.07 -2.23 -0.01 0.00 -0.57 0.00 0.00 34.95 32.06 2cqo s ARG 53 CO 0.35 -1.23 -0.20 0.08 -1.08 0.00 0.00 175.30 173.23 2cqo s VAL 54 N -1.30 1.62 -0.03 4.99 1.01 -1.26 -5.02 120.40 120.41 2cqo s VAL 54 Ca 0.72 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2cqo s VAL 54 Cb -0.41 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 2cqo s VAL 54 CO 0.48 0.46 -0.03 0.47 0.00 0.00 0.00 175.10 176.48 2cqo n ASP 55 N 2.90 3.41 -3.45 3.32 9.92 -1.26 -5.00 116.55 126.39 2cqo n ASP 55 Ca -0.17 -0.01 -0.18 0.00 -0.53 0.00 0.00 54.79 53.90 2cqo n ASP 55 Cb 0.53 -0.06 -0.11 0.00 -0.64 0.00 0.00 41.12 40.83 2cqo n ASP 55 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2cqo s LYS 56 N -2.07 0.25 0.32 -1.24 -0.14 -1.26 -5.00 119.74 110.60 2cqo s LYS 56 Ca -0.05 0.02 0.26 0.00 -1.36 0.00 0.00 55.97 54.84 2cqo s LYS 56 Cb 0.01 -0.94 1.07 0.00 -1.68 0.00 0.00 37.83 36.30 2cqo s LYS 56 CO 0.08 -0.84 1.77 -1.00 -0.76 0.00 0.00 175.35 174.59 2cqo h PRO 57 N 8.29 0.00 0.00 -1.68 0.13 -1.83 -2.56 132.00 134.35 2cqo h PRO 57 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2cqo h PRO 57 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2cqo h PRO 57 CO 0.32 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.54 2cqo n SER 58 N -2.41 0.35 -0.40 1.44 2.88 -1.26 -2.46 113.62 111.77 2cqo n SER 58 Ca 0.02 0.56 0.09 0.00 -1.33 0.00 0.00 58.87 58.21 2cqo n SER 58 Cb 0.24 -0.64 -0.01 0.00 -0.75 0.00 0.00 64.21 63.04 2cqo n SER 58 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2cqo n GLU 59 N -1.86 1.41 0.06 -1.46 -0.58 -0.96 -4.40 120.64 112.84 2cqo n GLU 59 Ca 0.05 -0.83 -0.23 0.00 -0.42 0.00 0.00 57.16 55.73 2cqo n GLU 59 Cb 0.29 -1.38 -0.15 0.00 -0.57 0.00 0.00 31.44 29.63 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 1.95 0.99 -4.56 -3.67 2.04 -1.57 -3.49 117.51 109.20 2cqo h ILE 60 Ca 0.00 -2.49 -0.28 0.00 1.00 0.00 0.00 64.86 63.08 2cqo h ILE 60 Cb 0.64 2.78 -0.15 0.00 -0.74 0.00 0.00 36.82 39.35 2cqo h ILE 60 CO 0.00 0.82 -0.60 0.68 0.00 0.00 0.00 178.15 179.05 2cqo s VAL 61 N -2.55 0.04 -0.11 1.67 -7.23 -1.23 -5.16 120.40 105.84 2cqo s VAL 61 Ca -0.17 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 57.84 2cqo s VAL 61 Cb 0.05 -2.51 0.04 0.00 0.56 0.00 0.00 36.38 34.52 2cqo s VAL 61 CO 0.84 0.00 0.43 -1.81 -0.31 0.00 0.00 175.10 174.24 2cqo s ASP 62 N -3.21 -0.40 -0.40 4.85 1.11 -1.26 -4.76 116.67 112.60 2cqo s ASP 62 Ca 0.39 0.63 -0.42 0.00 0.18 0.00 0.00 52.55 53.32 2cqo s ASP 62 Cb 0.06 0.68 -0.17 0.00 1.07 0.00 0.00 42.92 44.57 2cqo s ASP 62 CO 0.14 -0.29 1.84 0.52 1.18 0.00 0.00 175.17 178.56 2cqo n VAL 63 N 2.16 0.14 0.00 -1.27 0.31 -1.26 -1.17 118.33 117.23 2cqo n VAL 63 Ca -0.16 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2cqo n VAL 63 Cb 0.57 -0.91 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 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 5.13 1.70 3.71 2.92 0.00 -1.01 -5.01 105.19 112.62 2cqo n GLY 64 Ca 0.36 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.56 7.10 -0.13 1.61 1.01 -0.32 -4.81 116.67 119.57 2cqo s ASP 65 Ca 0.00 1.33 -0.12 0.00 0.71 0.00 0.00 52.55 54.48 2cqo s ASP 65 Cb 0.00 -2.47 -0.05 0.00 1.01 0.00 0.00 42.92 41.41 2cqo s ASP 65 CO 0.00 -0.22 0.24 -0.75 0.21 0.00 0.00 175.17 174.66 2cqo s LYS 66 N 1.14 3.98 0.19 8.23 2.20 -1.26 -1.88 119.74 132.34 2cqo s LYS 66 Ca 0.42 0.03 -0.02 0.00 -0.36 0.00 0.00 55.97 56.05 2cqo s LYS 66 Cb -0.18 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 2cqo s LYS 66 CO 0.20 0.46 0.15 0.14 -0.36 0.00 0.00 175.35 175.94 2cqo s VAL 67 N -0.19 0.01 -0.17 4.02 -7.23 -0.42 -4.98 120.40 111.45 2cqo s VAL 67 Ca 0.16 -1.94 -0.10 0.00 -1.81 0.00 0.00 61.98 58.30 2cqo s VAL 67 Cb -0.13 -2.41 -0.05 0.00 0.56 0.00 0.00 36.38 34.35 2cqo s VAL 67 CO 0.04 -0.06 0.16 0.26 -0.31 0.00 0.00 175.10 175.19 2cqo s TRP 68 N -4.13 3.48 0.05 2.82 0.52 -1.26 -1.88 118.94 118.53 2cqo s TRP 68 Ca 0.36 0.43 -0.00 0.00 0.02 0.00 0.00 56.10 56.90 2cqo s TRP 68 Cb 0.06 -2.12 -0.04 0.00 -1.15 0.00 0.00 33.47 30.23 2cqo s TRP 68 CO 0.10 0.42 -0.04 0.14 0.02 0.00 0.00 176.95 177.60 2cqo s VAL 69 N -0.06 0.29 -0.03 4.03 -7.23 -0.87 -4.64 120.40 111.89 2cqo s VAL 69 Ca 0.11 -1.64 0.05 0.00 -1.81 0.00 0.00 61.98 58.69 2cqo s VAL 69 Cb -0.12 -1.29 -0.01 0.00 0.56 0.00 0.00 36.38 35.53 2cqo s VAL 69 CO 0.01 -0.87 -0.17 -1.59 -0.31 0.00 0.00 175.10 172.17 2cqo s LYS 70 N -3.38 1.52 0.16 4.82 -2.85 -0.73 -1.61 119.74 117.68 2cqo s LYS 70 Ca 0.03 -0.59 -0.31 0.00 -1.00 0.00 0.00 55.97 54.10 2cqo s LYS 70 Cb 0.04 -1.40 -0.09 0.00 -2.06 0.00 0.00 37.83 34.31 2cqo s LYS 70 CO -0.07 0.30 1.48 -1.17 0.10 0.00 0.00 175.35 175.99 2cqo s LEU 71 N -0.19 4.37 -0.04 2.77 2.96 -0.77 -1.79 118.68 126.00 2cqo s LEU 71 Ca 0.02 2.51 0.08 0.00 -0.22 0.00 0.00 54.13 56.53 2cqo s LEU 71 Cb -0.09 -3.60 -0.13 0.00 0.50 0.00 0.00 46.19 42.88 2cqo s LEU 71 CO 0.01 -0.74 0.14 2.30 -1.32 0.00 0.00 176.35 176.74 2cqo n ILE 72 N 3.69 0.20 -3.21 6.68 -5.35 -0.94 -1.52 119.36 118.91 2cqo n ILE 72 Ca 0.12 -0.26 0.04 0.00 -0.27 0.00 0.00 62.75 62.38 2cqo n ILE 72 Cb 0.40 -0.07 -0.02 0.00 -1.74 0.00 0.00 39.64 38.20 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 -3.38 -0.30 -0.21 3.28 0.00 -1.22 -4.91 107.32 100.59 2cqo s GLY 73 Ca -0.04 2.85 -0.05 0.00 0.00 0.00 0.00 44.72 47.48 2cqo s GLY 73 CO 0.36 3.63 -0.01 1.09 0.00 0.00 0.00 173.10 178.17 2cqo s ARG 74 N 2.77 3.54 -0.08 2.90 1.70 -1.26 -1.89 118.95 126.63 2cqo s ARG 74 Ca 0.00 -0.55 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 2cqo s ARG 74 Cb -0.09 -3.07 0.02 0.00 -0.57 0.00 0.00 34.95 31.24 2cqo s ARG 74 CO -0.13 -0.07 -0.06 -1.21 -1.08 0.00 0.00 175.30 172.75 2cqo s GLU 75 N 1.19 1.21 -0.18 3.89 8.01 -0.83 -5.06 118.70 126.93 2cqo s GLU 75 Ca 0.03 -0.17 0.00 0.00 0.01 0.00 0.00 54.97 54.84 2cqo s GLU 75 Cb -0.15 -1.26 0.01 0.00 -4.31 0.00 0.00 34.13 28.43 2cqo s GLU 75 CO 0.01 -0.18 -0.17 0.00 0.01 0.00 0.00 175.26 174.93 2cqo s MET 76 N 1.41 3.10 0.10 1.61 0.23 -1.26 -0.96 119.30 123.52 2cqo s MET 76 Ca -0.02 -0.78 0.09 0.00 -1.03 0.00 0.00 55.69 53.95 2cqo s MET 76 Cb -0.13 -2.64 -0.04 0.00 -1.53 0.00 0.00 34.83 30.49 2cqo s MET 76 CO -0.04 -0.15 -0.20 0.21 -2.03 0.00 0.00 175.02 172.81 2cqo s LYS 77 N 1.19 1.77 0.25 3.16 2.20 0.88 -4.97 119.74 124.23 2cqo s LYS 77 Ca 0.02 -1.17 0.16 0.00 -0.36 0.00 0.00 55.97 54.63 2cqo s LYS 77 Cb -0.14 -2.08 0.90 0.00 -1.51 0.00 0.00 37.83 35.00 2cqo s LYS 77 CO -0.08 0.49 1.50 0.27 -0.36 0.00 0.00 175.35 177.17 2cqo n ASN 78 N 1.05 0.43 -0.09 1.43 0.23 -1.26 -0.98 115.26 116.07 2cqo n ASN 78 Ca -0.16 0.69 -0.07 0.00 -0.53 0.00 0.00 54.58 54.51 2cqo n ASN 78 Cb 0.53 -0.74 -0.16 0.00 -2.08 0.00 0.00 39.78 37.33 2cqo n ASN 78 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2cqo n ASP 79 N -2.08 0.08 -3.61 0.53 8.00 -1.26 -5.04 116.55 113.16 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 0.05 1.12 -0.03 0.00 -0.02 0.00 0.00 41.12 42.23 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 -2.61 0.24 -0.17 -1.24 1.70 -0.16 -5.15 118.95 111.56 2cqo s ARG 80 Ca -0.10 -0.01 0.01 0.00 -0.47 0.00 0.00 55.73 55.16 2cqo s ARG 80 Cb 0.07 0.11 0.01 0.00 -0.57 0.00 0.00 34.95 34.58 2cqo s ARG 80 CO 0.83 -0.09 -0.19 0.42 -1.08 0.00 0.00 175.30 175.18 2cqo s ILE 81 N -1.63 2.22 -0.13 4.99 1.01 -1.26 -0.08 121.20 126.32 2cqo s ILE 81 Ca 0.07 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.83 2cqo s ILE 81 Cb -0.01 -1.92 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 2cqo s ILE 81 CO -0.05 0.53 -0.15 -0.54 0.00 0.00 0.00 174.94 174.73 2cqo s LYS 82 N 1.09 3.29 -0.11 2.79 1.02 -0.13 -4.98 119.74 122.72 2cqo s LYS 82 Ca -0.00 -0.73 0.03 0.00 0.02 0.00 0.00 55.97 55.29 2cqo s LYS 82 Cb -0.14 -2.57 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 2cqo s LYS 82 CO -0.07 0.17 -0.22 0.08 -0.92 0.00 0.00 175.35 174.39 2cqo s VAL 83 N 0.44 1.92 -0.16 3.17 1.01 -1.26 -1.97 120.40 123.55 2cqo s VAL 83 Ca -0.11 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 60.89 2cqo s VAL 83 Cb -0.16 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 2cqo s VAL 83 CO 0.05 0.53 0.01 -0.44 0.00 0.00 0.00 175.10 175.25 2cqo s SER 84 N 0.54 5.16 0.21 3.32 0.01 -0.79 -1.52 113.70 120.64 2cqo s SER 84 Ca -0.15 -0.03 0.08 0.00 1.31 0.00 0.00 55.95 57.17 2cqo s SER 84 Cb -0.17 -1.85 -0.05 0.00 0.21 0.00 0.00 66.02 64.16 2cqo s SER 84 CO 0.05 0.18 -0.15 -0.76 0.41 0.00 0.00 173.24 172.97 2cqo s LEU 85 N 0.32 2.56 0.12 2.44 1.43 -0.27 -2.21 118.68 123.07 2cqo s LEU 85 Ca -0.01 -1.02 0.07 0.00 -1.03 0.00 0.00 54.13 52.14 2cqo s LEU 85 Cb -0.13 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 2cqo s LEU 85 CO 0.02 -0.14 -0.15 -0.55 0.23 0.00 0.00 176.35 175.75 2cqo s SER 86 N -3.33 2.15 0.00 2.29 0.15 -0.74 -3.95 113.70 110.26 2cqo s SER 86 Ca 0.23 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 56.09 2cqo s SER 86 Cb -0.01 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 2cqo s SER 86 CO 0.08 -0.10 0.00 0.23 1.20 0.00 0.00 173.24 174.65 2cqo n MET 87 N 0.59 1.37 0.04 5.44 2.81 -1.18 -1.77 117.12 124.42 2cqo n MET 87 Ca -0.16 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.77 2cqo n MET 87 Cb 0.56 -0.88 0.20 0.00 -0.71 0.00 0.00 33.22 32.39 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 -1.98 0.04 -0.56 0.03 2.85 0.03 -0.75 118.16 117.82 2cqo n LYS 88 Ca 0.00 0.49 0.07 0.00 -1.05 0.00 0.00 58.31 57.82 2cqo n LYS 88 Cb 0.38 -1.62 0.29 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 -1.70 2.41 -3.80 0.58 0.24 -1.26 -4.88 118.33 109.91 2cqo n VAL 89 Ca 0.00 -1.83 -0.12 0.00 -2.04 0.00 0.00 64.34 60.35 2cqo n VAL 89 Cb 0.05 -0.27 -0.11 0.00 -1.47 0.00 0.00 33.84 32.04 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 -2.85 0.01 0.03 3.34 1.01 0.07 -2.12 120.40 119.90 2cqo s VAL 90 Ca 0.45 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.01 2cqo s VAL 90 Cb 0.36 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 36.35 2cqo s VAL 90 CO 0.10 -0.07 1.10 0.21 0.00 0.00 0.00 175.10 176.44 2cqo s ASN 91 N -0.17 7.21 -0.29 3.32 3.84 -1.02 -4.91 114.94 122.93 2cqo s ASN 91 Ca -0.03 1.84 -0.00 0.00 0.21 0.00 0.00 52.86 54.88 2cqo s ASN 91 Cb -0.03 -2.57 0.23 0.00 -0.55 0.00 0.00 41.25 38.33 2cqo s ASN 91 CO 0.01 -0.38 1.90 0.00 -2.79 0.00 0.00 177.10 175.84 2cqo n GLN 92 N 3.97 1.74 0.00 0.43 1.13 -1.26 -2.18 117.38 121.21 2cqo n GLN 92 Ca 0.08 -1.50 0.00 0.00 -1.94 0.00 0.00 57.00 53.64 2cqo n GLN 92 Cb 0.48 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 29.25 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 0.25 0.09 0.00 1.08 0.00 -1.26 -4.92 105.19 100.43 2cqo n GLY 93 Ca 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.18 0.00 -1.09 2.61 -2.24 -1.25 -5.03 114.28 106.10 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 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 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 2.24 0.45 3.76 3.38 0.00 -0.93 -5.03 105.19 109.06 2cqo n GLY 95 Ca 0.00 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.20 4.54 0.17 1.61 2.20 -1.26 -4.74 119.74 120.06 2cqo s LYS 96 Ca 0.00 1.14 -0.32 0.00 -0.36 0.00 0.00 55.97 56.43 2cqo s LYS 96 Cb 0.00 -3.32 -0.11 0.00 -1.51 0.00 0.00 37.83 32.89 2cqo s LYS 96 CO 0.00 0.42 1.78 0.34 -0.36 0.00 0.00 175.35 177.53 2cqo s ASP 97 N -0.57 6.39 0.04 1.43 -1.08 -1.26 -2.42 116.67 119.18 2cqo s ASP 97 Ca 0.38 2.84 0.22 0.00 -0.52 0.00 0.00 52.55 55.47 2cqo s ASP 97 Cb -0.22 -2.58 -0.10 0.00 -1.46 0.00 0.00 42.92 38.55 2cqo s ASP 97 CO 0.25 -1.00 0.86 0.18 0.52 0.00 0.00 175.17 175.98 2cqo n LEU 98 N 4.76 0.52 -3.63 -1.34 4.77 -0.90 -4.62 117.00 116.56 2cqo n LEU 98 Ca 0.17 -0.05 -0.27 0.00 -0.03 0.00 0.00 56.01 55.83 2cqo n LEU 98 Cb 0.36 -0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.29 2cqo n LEU 98 CO 0.65 0.04 -0.15 -0.90 -1.33 0.00 0.00 177.39 175.69 2cqo n ASP 99 N -2.05 1.52 0.00 -1.43 5.75 -1.25 -4.93 116.55 114.15 2cqo n ASP 99 Ca 0.00 -2.86 0.07 0.00 -0.01 0.00 0.00 54.79 51.99 2cqo n ASP 99 Cb 0.47 -0.66 0.41 0.00 -1.03 0.00 0.00 41.12 40.31 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 2.21 0.49 -0.12 0.11 -0.04 -1.26 -2.55 135.00 133.85 2cqo n PRO 100 Ca 0.25 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.55 2cqo n PRO 100 Cb 0.42 -1.44 -0.13 0.00 -0.04 0.00 0.00 33.50 32.30 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 -0.94 1.43 -3.38 3.54 6.94 -1.26 -5.02 115.26 116.57 2cqo n ASN 101 Ca 0.10 -0.09 -0.18 0.00 -0.02 0.00 0.00 54.58 54.40 2cqo n ASN 101 Cb 0.05 -0.04 0.08 0.00 -2.36 0.00 0.00 39.78 37.52 2cqo n ASN 101 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2cqo n ASN 102 N -3.13 -3.10 -0.00 0.53 3.02 -1.06 -4.92 115.26 106.61 2cqo n ASN 102 Ca -0.42 -0.58 0.04 0.00 -0.03 0.00 0.00 54.58 53.60 2cqo n ASN 102 Cb 1.04 -4.94 -0.05 0.00 -0.61 0.00 0.00 39.78 35.21 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 -4.25 0.00 -0.02 2.41 0.31 -1.26 -4.55 118.33 110.97 2cqo n VAL 103 Ca -0.21 -0.28 -0.20 0.00 -0.01 0.00 0.00 64.34 63.65 2cqo n VAL 103 Cb 0.64 0.85 -0.13 0.00 -0.91 0.00 0.00 33.84 34.28 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 1.28 0.00 2.52 5.03 -1.97 -3.31 117.51 121.07 2cqo h ILE 104 Ca 0.00 -2.38 0.00 0.00 -0.12 0.00 0.00 64.86 62.36 2cqo h ILE 104 Cb 0.25 2.89 0.00 0.00 -3.03 0.00 0.00 36.82 36.93 2cqo h ILE 104 CO 0.00 0.62 0.03 0.16 -0.68 0.00 0.00 178.15 178.28 2cqo h ILE 105 N -0.59 0.00 -2.22 -0.67 -0.00 -2.00 -3.37 117.51 108.66 2cqo h ILE 105 Ca -0.21 0.00 -0.56 0.00 -0.00 0.00 0.00 64.86 64.09 2cqo h ILE 105 Cb 1.49 0.93 -0.09 0.00 -0.00 0.00 0.00 36.82 39.15 2cqo h ILE 105 CO 0.02 0.00 1.05 -0.70 -0.00 0.00 0.00 178.15 178.52 2cqo s GLU 106 N -4.10 3.25 0.04 0.16 2.12 -1.25 -4.90 118.70 114.01 2cqo s GLU 106 Ca -0.05 -0.49 -0.22 0.00 0.36 0.00 0.00 54.97 54.57 2cqo s GLU 106 Cb 0.12 -4.38 -0.12 0.00 0.26 0.00 0.00 34.13 30.01 2cqo s GLU 106 CO 0.38 -2.10 1.34 0.66 -0.54 0.00 0.00 175.26 175.00 2cqo h SER 107 N 9.90 -0.72 0.00 -1.70 4.64 -1.88 -3.49 113.55 120.29 2cqo h SER 107 Ca -0.20 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2cqo h SER 107 Cb 1.05 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2cqo h SER 107 CO 1.28 -0.48 0.00 0.61 -0.87 0.00 0.00 176.83 177.38 2cqo n GLY 108 N -1.39 -1.77 0.00 -0.77 0.00 -1.26 -4.30 105.19 95.70 2cqo n GLY 108 Ca -0.10 -1.94 0.08 0.00 0.00 0.00 0.00 46.02 44.06 2cqo n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cqo n PRO 109 N 0.00 0.44 -0.31 1.61 -0.04 -1.26 -4.04 135.00 131.41 2cqo n PRO 109 Ca 0.00 0.02 -0.03 0.00 -0.04 0.00 0.00 63.50 63.45 2cqo n PRO 109 Cb 0.00 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2cqo n PRO 109 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cqo n SER 110 N -1.05 -0.60 -4.39 3.54 7.64 -1.26 -4.47 113.62 113.04 2cqo n SER 110 Ca 0.11 1.35 -0.38 0.00 1.01 0.00 0.00 58.87 60.97 2cqo n SER 110 Cb 0.06 -0.27 0.04 0.00 -1.01 0.00 0.00 64.21 63.03 2cqo n SER 110 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2cqo n SER 111 N -5.09 -1.96 0.00 6.43 3.41 -1.26 -5.25 113.62 109.90 2cqo n SER 111 Ca 0.06 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 2cqo n SER 111 Cb 0.28 -1.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 2cqo n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49