#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 0.60 0.30 1.61 1.04 -1.26 -5.17 113.70 110.82 2cqo s SER -5 Ca 0.00 -0.75 0.03 0.00 0.48 0.00 0.00 55.95 55.70 2cqo s SER -5 Cb 0.00 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 2cqo s SER -5 CO 0.00 -0.40 0.13 -0.55 0.98 0.00 0.00 173.24 173.39 2cqo s SER -4 N -2.22 1.65 0.00 7.02 0.15 -1.26 -5.14 113.70 113.90 2cqo s SER -4 Ca -0.03 -1.50 0.00 0.00 0.70 0.00 0.00 55.95 55.13 2cqo s SER -4 Cb -0.02 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 2cqo s SER -4 CO -0.04 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.19 2cqo n GLY -3 N -0.59 2.68 3.57 9.45 0.00 -1.26 -5.19 105.19 113.86 2cqo n GLY -3 Ca -0.00 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.63 -0.02 1.61 0.01 -1.26 -5.17 113.70 108.24 2cqo s SER -2 Ca 0.00 0.92 0.04 0.00 1.31 0.00 0.00 55.95 58.22 2cqo s SER -2 Cb 0.00 0.83 -0.01 0.00 0.21 0.00 0.00 66.02 67.06 2cqo s SER -2 CO 0.00 -0.42 -0.15 -0.55 0.41 0.00 0.00 173.24 172.53 2cqo s SER -1 N -0.55 1.84 0.00 2.44 0.15 -1.26 -5.12 113.70 111.20 2cqo s SER -1 Ca -0.05 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.31 2cqo s SER -1 Cb -0.02 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 2cqo s SER -1 CO 0.04 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.26 2cqo n GLY 0 N 2.89 2.76 2.92 9.45 0.00 -1.26 -5.15 105.19 116.80 2cqo n GLY 0 Ca -0.16 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.70 2cqo n GLY 0 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2cqo s MET 1 N -2.00 1.01 -0.32 1.61 1.00 -1.26 -5.12 119.30 114.22 2cqo s MET 1 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 55.69 55.50 2cqo s MET 1 Cb 0.00 -0.95 0.07 0.00 0.00 0.00 0.00 34.83 33.95 2cqo s MET 1 CO 0.00 -0.05 0.04 -0.80 0.00 0.00 0.00 175.02 174.21 2cqo s ASN 2 N 0.82 4.92 0.18 3.03 0.01 -1.26 -5.09 114.94 117.54 2cqo s ASN 2 Ca -0.12 -1.53 0.07 0.00 -0.71 0.00 0.00 52.86 50.56 2cqo s ASN 2 Cb -0.15 -1.71 -0.05 0.00 0.41 0.00 0.00 41.25 39.75 2cqo s ASN 2 CO 0.01 -0.33 -0.13 -0.55 -1.51 0.00 0.00 177.10 174.59 2cqo s SER 3 N 1.33 2.29 0.00 -1.22 0.15 -1.26 -5.06 113.70 109.93 2cqo s SER 3 Ca -0.01 -1.00 0.00 0.00 0.70 0.00 0.00 55.95 55.64 2cqo s SER 3 Cb -0.20 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 2cqo s SER 3 CO -0.03 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2cqo n GLY 4 N -0.23 0.75 3.86 9.45 0.00 -1.26 -5.11 105.19 112.65 2cqo n GLY 4 Ca -0.09 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 2cqo n GLY 4 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2cqo s ARG 5 N -0.66 3.21 0.23 1.61 1.70 -1.26 -5.12 118.95 118.66 2cqo s ARG 5 Ca 0.00 -0.54 -0.04 0.00 -0.47 0.00 0.00 55.73 54.69 2cqo s ARG 5 Cb 0.00 -2.91 0.06 0.00 -0.57 0.00 0.00 34.95 31.52 2cqo s ARG 5 CO 0.00 0.60 0.20 -0.35 -1.08 0.00 0.00 175.30 174.67 2cqo n PRO 6 N 0.40 -1.41 -3.65 3.89 -0.04 -1.26 -5.01 135.00 127.92 2cqo n PRO 6 Ca -0.07 -0.33 -0.39 0.00 -0.04 0.00 0.00 63.50 62.67 2cqo n PRO 6 Cb 0.51 -0.30 -0.12 0.00 -0.04 0.00 0.00 33.50 33.55 2cqo n PRO 6 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2cqo s GLU 7 N -3.46 2.98 0.81 0.54 0.41 -1.26 -5.09 118.70 113.63 2cqo s GLU 7 Ca 0.13 -0.96 -0.11 0.00 -0.41 0.00 0.00 54.97 53.63 2cqo s GLU 7 Cb -0.01 -3.60 0.08 0.00 -1.78 0.00 0.00 34.13 28.81 2cqo s GLU 7 CO 0.10 -0.58 1.09 0.95 -0.49 0.00 0.00 175.26 176.33 2cqo s THR 8 N 1.54 3.12 0.25 3.63 -4.23 -1.26 -4.92 115.64 113.77 2cqo s THR 8 Ca 0.02 0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 60.85 2cqo s THR 8 Cb -0.18 -2.84 0.24 0.00 1.34 0.00 0.00 72.50 71.06 2cqo s THR 8 CO 0.05 -0.47 1.69 -0.03 -0.54 0.00 0.00 174.62 175.32 2cqo h MET 9 N -1.26 0.27 -4.92 3.99 4.05 -2.02 -3.43 114.93 111.61 2cqo h MET 9 Ca -0.45 -0.02 -0.37 0.00 -0.28 0.00 0.00 59.70 58.58 2cqo h MET 9 Cb 1.25 -0.06 -0.14 0.00 -0.80 0.00 0.00 31.60 31.84 2cqo h MET 9 CO 0.52 0.18 -0.61 -1.21 0.23 0.00 0.00 176.91 176.02 2cqo s GLU 10 N -6.03 1.46 -0.16 0.39 2.02 -1.26 -5.03 118.70 110.09 2cqo s GLU 10 Ca -0.13 -1.80 0.02 0.00 0.02 0.00 0.00 54.97 53.08 2cqo s GLU 10 Cb 0.22 -0.32 0.24 0.00 0.10 0.00 0.00 34.13 34.37 2cqo s GLU 10 CO 0.76 -0.30 1.32 0.09 0.02 0.00 0.00 175.26 177.15 2cqo n ASN 11 N -0.54 3.26 -4.64 -0.19 3.02 -1.26 -4.95 115.26 109.96 2cqo n ASN 11 Ca -0.00 -2.58 -0.37 0.00 -0.03 0.00 0.00 54.58 51.61 2cqo n ASN 11 Cb 0.66 -0.62 0.07 0.00 -0.61 0.00 0.00 39.78 39.28 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 -0.09 4.12 -4.58 3.41 4.77 -1.26 -4.88 117.00 118.49 2cqo n LEU 12 Ca 0.21 0.74 -0.30 0.00 -0.03 0.00 0.00 56.01 56.63 2cqo n LEU 12 Cb 0.92 -1.43 0.25 0.00 -2.33 0.00 0.00 43.42 40.82 2cqo n LEU 12 CO 0.22 -1.77 0.62 -2.16 -1.33 0.00 0.00 177.39 172.97 2cqo s PRO 13 N -3.17 -1.41 0.75 3.23 0.04 -1.26 -5.06 135.00 128.12 2cqo s PRO 13 Ca 0.76 -0.14 -0.05 0.00 0.04 0.00 0.00 61.00 61.61 2cqo s PRO 13 Cb -0.37 -1.58 0.12 0.00 0.04 0.00 0.00 34.50 32.71 2cqo s PRO 13 CO 0.47 -3.82 1.05 0.00 0.04 0.00 0.00 177.00 174.73 2cqo s ALA 14 N -3.02 3.29 0.42 8.56 0.00 -1.26 -5.01 121.76 124.75 2cqo s ALA 14 Ca 0.72 -1.41 -0.25 0.00 0.00 0.00 0.00 51.96 51.01 2cqo s ALA 14 Cb -0.09 -2.30 -0.08 0.00 0.00 0.00 0.00 23.12 20.65 2cqo s ALA 14 CO 0.56 -1.58 1.25 -1.17 0.00 0.00 0.00 175.76 174.82 2cqo s LEU 15 N -5.29 4.15 -1.86 0.00 2.96 -1.26 -2.58 118.68 114.79 2cqo s LEU 15 Ca 0.66 2.52 0.00 0.00 -0.22 0.00 0.00 54.13 57.09 2cqo s LEU 15 Cb -0.07 -4.02 0.00 0.00 0.50 0.00 0.00 46.19 42.61 2cqo s LEU 15 CO 0.46 -0.87 0.00 -1.22 -1.32 0.00 0.00 176.35 173.40 2cqo n TYR 16 N -0.08 -0.48 -3.15 5.38 4.01 -0.79 -4.97 117.16 117.08 2cqo n TYR 16 Ca 0.05 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.47 2cqo n TYR 16 Cb 0.45 -3.54 -0.06 0.00 -0.31 0.00 0.00 39.34 35.89 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 4.74 -0.10 -0.72 2.01 -1.07 -4.77 115.64 112.89 2cqo s THR 17 Ca 0.00 0.81 0.01 0.00 0.31 0.00 0.00 61.69 62.82 2cqo s THR 17 Cb 0.00 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 2cqo s THR 17 CO 0.00 -0.21 -0.12 -0.63 -0.69 0.00 0.00 174.62 172.97 2cqo s ILE 18 N -2.01 3.20 0.14 1.82 1.01 -1.26 -1.47 121.20 122.63 2cqo s ILE 18 Ca 0.53 -0.64 -0.18 0.00 0.00 0.00 0.00 60.65 60.35 2cqo s ILE 18 Cb -0.10 -2.31 0.05 0.00 0.01 0.00 0.00 42.46 40.10 2cqo s ILE 18 CO 0.20 0.55 0.47 0.72 0.00 0.00 0.00 174.94 176.88 2cqo s PHE 19 N -0.17 -0.31 -0.21 3.97 -0.12 -0.82 -5.03 117.98 115.29 2cqo s PHE 19 Ca 0.00 0.03 -0.14 0.00 -0.05 0.00 0.00 56.93 56.77 2cqo s PHE 19 Cb -0.13 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 2cqo s PHE 19 CO 0.03 -0.75 0.30 -1.14 -0.05 0.00 0.00 175.22 173.61 2cqo s GLN 20 N -3.79 4.15 0.10 1.99 0.74 -1.26 -1.73 119.66 119.86 2cqo s GLN 20 Ca 0.02 0.03 0.02 0.00 0.05 0.00 0.00 55.36 55.48 2cqo s GLN 20 Cb 0.01 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.56 2cqo s GLN 20 CO -0.12 0.04 -0.07 0.20 -0.55 0.00 0.00 175.29 174.79 2cqo s GLY 21 N 0.96 0.77 0.00 2.59 0.00 -0.36 -4.08 107.32 107.20 2cqo s GLY 21 Ca 0.15 -1.35 0.03 0.00 0.00 0.00 0.00 44.72 43.55 2cqo s GLY 21 CO 0.06 -1.46 -0.07 1.85 0.00 0.00 0.00 173.10 173.49 2cqo s GLU 22 N -3.82 2.55 0.19 2.90 2.12 -1.23 -0.83 118.70 120.59 2cqo s GLU 22 Ca 0.12 -0.72 -0.31 0.00 0.36 0.00 0.00 54.97 54.42 2cqo s GLU 22 Cb 0.05 -2.50 -0.09 0.00 0.26 0.00 0.00 34.13 31.85 2cqo s GLU 22 CO -0.05 0.60 1.41 0.08 -0.54 0.00 0.00 175.26 176.77 2cqo s VAL 23 N -0.99 2.96 -0.00 3.70 1.01 -0.86 -2.02 120.40 124.19 2cqo s VAL 23 Ca 0.17 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.91 2cqo s VAL 23 Cb -0.11 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 2cqo s VAL 23 CO 0.07 0.09 0.01 0.00 0.00 0.00 0.00 175.10 175.27 2cqo n ALA 24 N 3.10 2.01 -3.17 5.51 0.00 -0.61 -2.33 120.51 125.03 2cqo n ALA 24 Ca 0.09 -0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 2cqo n ALA 24 Cb 0.41 0.03 -0.11 0.00 0.00 0.00 0.00 19.45 19.78 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 -2.03 0.36 -0.14 0.00 1.75 -1.24 -4.93 119.30 113.08 2cqo s MET 25 Ca -0.00 0.33 0.02 0.00 -1.25 0.00 0.00 55.69 54.79 2cqo s MET 25 Cb 0.00 0.17 0.01 0.00 2.84 0.00 0.00 34.83 37.86 2cqo s MET 25 CO 0.02 -0.05 -0.21 0.08 -0.65 0.00 0.00 175.02 174.21 2cqo s VAL 26 N -0.00 1.98 0.28 10.11 1.01 -1.26 -0.43 120.40 132.07 2cqo s VAL 26 Ca -0.01 -0.93 0.10 0.00 0.00 0.00 0.00 61.98 61.14 2cqo s VAL 26 Cb -0.02 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 2cqo s VAL 26 CO 0.01 0.53 -0.16 0.42 0.00 0.00 0.00 175.10 175.90 2cqo s THR 27 N 0.87 2.23 -2.00 3.92 -4.23 0.14 -5.00 115.64 111.58 2cqo s THR 27 Ca -0.06 -2.31 0.14 0.00 -1.18 0.00 0.00 61.69 58.27 2cqo s THR 27 Cb -0.15 -2.32 0.39 0.00 1.34 0.00 0.00 72.50 71.75 2cqo s THR 27 CO -0.03 -0.40 1.27 0.47 -0.54 0.00 0.00 174.62 175.40 2cqo n ASP 28 N -0.60 0.00 -0.19 3.99 8.00 -1.26 -2.15 116.55 124.34 2cqo n ASP 28 Ca -0.06 -0.82 0.03 0.00 0.71 0.00 0.00 54.79 54.65 2cqo n ASP 28 Cb 0.61 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.75 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 -0.84 0.00 -0.79 1.24 0.18 -1.26 -4.81 117.16 110.87 2cqo n TYR 29 Ca 0.10 -0.35 0.00 0.00 1.88 0.00 0.00 57.90 59.53 2cqo n TYR 29 Cb 0.05 -0.07 0.00 0.00 -0.38 0.00 0.00 39.34 38.94 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 -0.47 0.64 3.20 -7.48 0.00 -0.91 -2.72 105.19 97.44 2cqo n GLY 30 Ca 0.04 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.55 -0.08 4.61 0.00 -0.77 0.27 121.76 124.24 2cqo s ALA 31 Ca 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 51.96 51.82 2cqo s ALA 31 Cb 0.00 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 2cqo s ALA 31 CO 0.00 -0.30 0.37 -0.06 0.00 0.00 0.00 175.76 175.77 2cqo s PHE 32 N -1.88 3.60 -0.10 0.00 0.40 0.42 -0.23 117.98 120.20 2cqo s PHE 32 Ca -0.10 0.83 0.03 0.00 -0.60 0.00 0.00 56.93 57.09 2cqo s PHE 32 Cb -0.04 -2.32 0.01 0.00 0.51 0.00 0.00 43.02 41.17 2cqo s PHE 32 CO 0.00 0.45 -0.21 0.42 0.70 0.00 0.00 175.22 176.58 2cqo s ILE 33 N -0.32 1.86 0.00 0.64 -1.09 -0.29 -1.57 121.20 120.43 2cqo s ILE 33 Ca 0.21 -0.89 -0.26 0.00 -2.23 0.00 0.00 60.65 57.48 2cqo s ILE 33 Cb -0.15 -1.63 -0.04 0.00 -1.58 0.00 0.00 42.46 39.06 2cqo s ILE 33 CO 0.09 0.51 0.82 -0.54 -1.23 0.00 0.00 174.94 174.60 2cqo s LYS 34 N 0.53 4.51 0.05 2.79 1.02 -0.86 -2.45 119.74 125.34 2cqo s LYS 34 Ca -0.15 1.14 -0.24 0.00 0.02 0.00 0.00 55.97 56.74 2cqo s LYS 34 Cb -0.17 -3.42 -0.06 0.00 -0.52 0.00 0.00 37.83 33.66 2cqo s LYS 34 CO 0.05 0.11 0.74 0.42 -0.92 0.00 0.00 175.35 175.76 2cqo s ILE 35 N 0.52 4.71 -0.07 2.17 1.01 -1.26 -3.48 121.20 124.80 2cqo s ILE 35 Ca 0.43 1.58 -0.30 0.00 0.00 0.00 0.00 60.65 62.36 2cqo s ILE 35 Cb -0.20 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 2cqo s ILE 35 CO 0.23 0.40 1.50 -2.16 0.00 0.00 0.00 174.94 174.91 2cqo s PRO 36 N -0.23 4.21 0.00 2.79 0.04 -1.26 -2.94 135.00 137.61 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 -0.20 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.50 2cqo s PRO 36 CO 0.22 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 176.92 2cqo n GLY 37 N 3.90 0.72 3.13 0.56 0.00 -1.26 -5.06 105.19 107.18 2cqo n GLY 37 Ca 0.16 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.51 2.40 -2.22 0.00 1.74 -1.26 -4.86 116.66 111.95 2cqo n ARG 39 Ca -0.02 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.71 2cqo n ARG 39 Cb 0.53 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.96 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 -2.01 3.33 0.02 5.56 2.47 -1.26 -4.97 119.74 122.88 2cqo s LYS 40 Ca -0.00 1.57 0.08 0.00 -1.56 0.00 0.00 55.97 56.05 2cqo s LYS 40 Cb 0.00 -2.01 -0.02 0.00 -1.46 0.00 0.00 37.83 34.34 2cqo s LYS 40 CO 0.02 -0.86 -0.24 -0.65 0.16 0.00 0.00 175.35 173.78 2cqo s GLN 41 N -3.38 1.72 0.14 4.03 -0.21 -1.26 -4.07 119.66 116.63 2cqo s GLN 41 Ca 0.72 -0.97 0.05 0.00 0.02 0.00 0.00 55.36 55.17 2cqo s GLN 41 Cb -0.23 -1.80 -0.04 0.00 1.00 0.00 0.00 33.01 31.94 2cqo s GLN 41 CO 0.28 0.48 0.09 0.20 -2.12 0.00 0.00 175.29 174.21 2cqo s GLY 42 N -0.98 1.82 -0.09 3.09 0.00 -1.03 -4.78 107.32 105.34 2cqo s GLY 42 Ca 0.10 -1.17 -0.05 0.00 0.00 0.00 0.00 44.72 43.60 2cqo s GLY 42 CO 0.01 -1.17 0.11 -2.27 0.00 0.00 0.00 173.10 169.79 2cqo s LEU 43 N -2.81 4.20 -0.36 0.66 2.96 -0.92 -1.14 118.68 121.28 2cqo s LEU 43 Ca 0.29 0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 54.55 2cqo s LEU 43 Cb -0.11 -2.10 0.08 0.00 0.50 0.00 0.00 46.19 44.56 2cqo s LEU 43 CO 0.22 0.38 0.10 -0.69 -1.32 0.00 0.00 176.35 175.04 2cqo s VAL 44 N -1.05 3.13 0.73 1.68 1.01 0.68 -0.15 120.40 126.42 2cqo s VAL 44 Ca 0.17 -1.74 -0.16 0.00 0.00 0.00 0.00 61.98 60.24 2cqo s VAL 44 Cb -0.12 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 2cqo s VAL 44 CO 0.06 -0.41 0.79 1.57 0.00 0.00 0.00 175.10 177.11 2cqo n HIS 45 N 4.60 0.07 -0.22 5.22 -0.00 -1.26 -1.84 115.22 121.79 2cqo n HIS 45 Ca -0.07 0.38 0.03 0.00 0.46 0.00 0.00 57.72 58.52 2cqo n HIS 45 Cb 0.42 -2.01 0.28 0.00 -0.12 0.00 0.00 29.99 28.56 2cqo n HIS 45 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2cqo h ARG 46 N -0.34 0.91 -0.00 1.57 3.08 -1.88 -0.48 114.38 117.25 2cqo h ARG 46 Ca -0.46 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.53 2cqo h ARG 46 Cb 1.34 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 2cqo h ARG 46 CO 0.45 0.60 0.00 0.00 -1.07 0.00 0.00 179.97 179.95 2cqo h THR 47 N 0.94 0.59 0.00 2.04 1.03 -1.89 -0.22 112.91 115.39 2cqo h THR 47 Ca 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.70 2cqo h THR 47 Cb 0.05 1.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.13 2cqo h THR 47 CO -0.09 0.00 -1.06 1.41 -0.01 0.00 0.00 175.52 175.77 2cqo n HIS 48 N -3.94 0.17 0.16 0.00 8.25 -0.27 -4.09 115.22 115.50 2cqo n HIS 48 Ca -0.03 0.05 0.01 0.00 -0.26 0.00 0.00 57.72 57.50 2cqo n HIS 48 Cb 0.08 -0.35 0.25 0.00 1.12 0.00 0.00 29.99 31.10 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 0.00 0.00 -0.41 2.07 -0.14 0.14 114.93 116.59 2cqo h MET 49 Ca 0.00 0.00 -0.49 0.00 -2.07 0.00 0.00 59.70 57.14 2cqo h MET 49 Cb 0.69 0.00 -0.10 0.00 -1.87 0.00 0.00 31.60 30.32 2cqo h MET 49 CO 0.00 0.51 -0.40 0.43 1.07 0.00 0.00 176.91 178.52 2cqo n SER 50 N -3.76 1.64 0.05 1.22 7.64 -1.16 -4.75 113.62 114.50 2cqo n SER 50 Ca -0.01 -2.84 -0.04 0.00 1.01 0.00 0.00 58.87 56.99 2cqo n SER 50 Cb 0.55 0.74 -0.02 0.00 -1.01 0.00 0.00 64.21 64.48 2cqo n SER 50 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2cqo h SER 51 N 1.29 -0.19 0.00 6.43 4.64 -1.89 -3.42 113.55 120.42 2cqo h SER 51 Ca -0.29 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2cqo h SER 51 Cb 1.04 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2cqo h SER 51 CO 0.46 0.23 0.00 0.00 -0.87 0.00 0.00 176.83 176.65 2cqo s ARG 53 N -1.33 4.54 -0.54 0.00 6.06 -1.26 -4.99 118.95 121.44 2cqo s ARG 53 Ca 0.00 1.20 0.04 0.00 -2.50 0.00 0.00 55.73 54.47 2cqo s ARG 53 Cb 0.00 -3.41 0.15 0.00 0.06 0.00 0.00 34.95 31.74 2cqo s ARG 53 CO 0.00 0.12 0.33 0.08 -2.50 0.00 0.00 175.30 173.33 2cqo s VAL 54 N 0.47 2.12 0.07 7.11 1.01 -1.26 -4.82 120.40 125.10 2cqo s VAL 54 Ca 0.44 -3.31 -0.35 0.00 0.00 0.00 0.00 61.98 58.76 2cqo s VAL 54 Cb -0.20 -2.45 -0.18 0.00 0.00 0.00 0.00 36.38 33.55 2cqo s VAL 54 CO 0.25 -0.93 1.53 0.44 0.00 0.00 0.00 175.10 176.39 2cqo h ASP 55 N 6.17 -1.18 -3.53 3.32 5.19 -1.97 -3.45 116.42 120.97 2cqo h ASP 55 Ca 0.04 0.07 -0.16 0.00 -0.62 0.00 0.00 57.03 56.35 2cqo h ASP 55 Cb 0.86 0.35 -0.27 0.00 0.18 0.00 0.00 39.33 40.45 2cqo h ASP 55 CO 0.61 -0.72 -0.39 -0.54 -3.12 0.00 0.00 179.24 175.08 2cqo s LYS 56 N -5.74 0.31 0.36 3.56 1.02 -1.26 -5.04 119.74 112.95 2cqo s LYS 56 Ca -0.18 0.54 0.15 0.00 0.02 0.00 0.00 55.97 56.50 2cqo s LYS 56 Cb 0.03 0.02 0.69 0.00 -0.52 0.00 0.00 37.83 38.05 2cqo s LYS 56 CO 0.56 -0.11 1.77 -1.00 -0.92 0.00 0.00 175.35 175.65 2cqo h PRO 57 N 6.55 0.00 0.00 -1.68 0.13 -1.87 -2.55 132.00 132.58 2cqo h PRO 57 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2cqo h PRO 57 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2cqo h PRO 57 CO 0.33 0.41 0.00 -1.13 -0.23 0.00 0.00 178.00 177.38 2cqo n SER 58 N -3.82 0.00 -0.00 1.44 3.41 -1.26 -2.52 113.62 110.87 2cqo n SER 58 Ca -0.01 -0.49 0.07 0.00 -0.26 0.00 0.00 58.87 58.18 2cqo n SER 58 Cb 0.47 -0.12 -0.09 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.12 1.83 -0.08 4.33 -0.58 -0.96 -4.56 120.64 119.49 2cqo n GLU 59 Ca 0.16 -0.03 -0.22 0.00 -0.42 0.00 0.00 57.16 56.65 2cqo n GLU 59 Cb 0.14 -1.22 -0.12 0.00 -0.57 0.00 0.00 31.44 29.67 2cqo n GLU 59 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2cqo n ILE 60 N -1.50 1.60 -4.23 -3.67 5.41 -1.05 -5.01 119.36 110.92 2cqo n ILE 60 Ca 0.01 -0.48 -0.14 0.00 1.00 0.00 0.00 62.75 63.15 2cqo n ILE 60 Cb 0.26 -1.70 -0.10 0.00 -0.71 0.00 0.00 39.64 37.39 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 -2.51 1.07 -0.10 1.39 -7.23 -1.08 -5.15 120.40 106.79 2cqo s VAL 61 Ca -0.30 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 57.73 2cqo s VAL 61 Cb 0.09 -1.78 0.03 0.00 0.56 0.00 0.00 36.38 35.28 2cqo s VAL 61 CO 0.64 -0.75 0.36 -1.81 -0.31 0.00 0.00 175.10 173.22 2cqo s ASP 62 N -3.08 -0.34 -0.39 4.85 1.01 -1.26 -4.52 116.67 112.94 2cqo s ASP 62 Ca 0.15 0.57 -0.42 0.00 0.71 0.00 0.00 52.55 53.56 2cqo s ASP 62 Cb 0.03 0.63 -0.17 0.00 1.01 0.00 0.00 42.92 44.42 2cqo s ASP 62 CO -0.00 -0.22 1.88 0.52 0.21 0.00 0.00 175.17 177.56 2cqo n VAL 63 N 2.44 0.15 0.00 -1.27 0.31 -1.26 -0.68 118.33 118.02 2cqo n VAL 63 Ca -0.15 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2cqo n VAL 63 Cb 0.57 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 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 5.29 1.74 3.69 2.92 0.00 -0.98 -5.00 105.19 112.86 2cqo n GLY 64 Ca 0.36 0.00 -0.42 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 7.13 -0.14 1.61 1.11 0.14 -4.83 116.67 120.14 2cqo s ASP 65 Ca 0.00 1.37 -0.14 0.00 0.18 0.00 0.00 52.55 53.97 2cqo s ASP 65 Cb 0.00 -2.50 -0.05 0.00 1.07 0.00 0.00 42.92 41.44 2cqo s ASP 65 CO 0.00 -0.35 0.32 -0.75 1.18 0.00 0.00 175.17 175.57 2cqo s LYS 66 N 1.69 4.18 0.20 8.23 2.20 -1.26 -2.04 119.74 132.95 2cqo s LYS 66 Ca 0.44 0.16 -0.02 0.00 -0.36 0.00 0.00 55.97 56.18 2cqo s LYS 66 Cb -0.18 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 2cqo s LYS 66 CO 0.18 0.31 0.16 0.14 -0.36 0.00 0.00 175.35 175.78 2cqo s VAL 67 N 0.22 0.00 -0.15 4.02 -7.23 -0.01 -4.98 120.40 112.27 2cqo s VAL 67 Ca 0.18 -1.94 -0.13 0.00 -1.81 0.00 0.00 61.98 58.28 2cqo s VAL 67 Cb -0.14 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.29 2cqo s VAL 67 CO 0.06 0.00 0.26 0.26 -0.31 0.00 0.00 175.10 175.37 2cqo s TRP 68 N -4.14 3.48 0.13 2.82 0.52 -1.26 -1.22 118.94 119.27 2cqo s TRP 68 Ca 0.37 0.57 0.05 0.00 0.02 0.00 0.00 56.10 57.11 2cqo s TRP 68 Cb 0.06 -2.27 -0.04 0.00 -1.15 0.00 0.00 33.47 30.07 2cqo s TRP 68 CO 0.12 0.31 -0.12 0.14 0.02 0.00 0.00 176.95 177.42 2cqo s VAL 69 N 0.23 1.23 -0.06 4.03 -7.23 -0.70 -4.56 120.40 113.34 2cqo s VAL 69 Ca 0.15 -1.88 0.01 0.00 -1.81 0.00 0.00 61.98 58.46 2cqo s VAL 69 Cb -0.13 -1.66 0.02 0.00 0.56 0.00 0.00 36.38 35.17 2cqo s VAL 69 CO 0.03 -0.58 -0.08 -0.75 -0.31 0.00 0.00 175.10 173.42 2cqo s LYS 70 N -3.18 1.23 0.20 4.82 2.20 0.60 -1.94 119.74 123.66 2cqo s LYS 70 Ca 0.12 -0.23 -0.32 0.00 -0.36 0.00 0.00 55.97 55.19 2cqo s LYS 70 Cb -0.01 -1.15 -0.12 0.00 -1.51 0.00 0.00 37.83 35.04 2cqo s LYS 70 CO 0.02 -0.07 1.72 -1.17 -0.36 0.00 0.00 175.35 175.49 2cqo s LEU 71 N 0.97 4.37 -0.07 5.43 2.96 -0.54 -1.22 118.68 130.58 2cqo s LEU 71 Ca -0.10 2.84 0.07 0.00 -0.22 0.00 0.00 54.13 56.72 2cqo s LEU 71 Cb -0.15 -3.60 -0.10 0.00 0.50 0.00 0.00 46.19 42.85 2cqo s LEU 71 CO 0.00 -0.97 0.05 2.30 -1.32 0.00 0.00 176.35 176.42 2cqo n ILE 72 N 4.07 0.45 -3.59 6.68 -5.35 -0.93 -1.89 119.36 118.79 2cqo n ILE 72 Ca 0.16 -0.31 -0.00 0.00 -0.27 0.00 0.00 62.75 62.33 2cqo n ILE 72 Cb 0.36 -0.62 -0.04 0.00 -1.74 0.00 0.00 39.64 37.60 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 -3.79 -0.69 -0.11 3.28 0.00 -1.21 -4.87 107.32 99.94 2cqo s GLY 73 Ca -0.04 2.39 0.04 0.00 0.00 0.00 0.00 44.72 47.11 2cqo s GLY 73 CO 0.32 3.11 -0.23 1.09 0.00 0.00 0.00 173.10 177.39 2cqo s ARG 74 N 2.85 3.01 -0.06 2.90 1.70 -1.26 -1.15 118.95 126.94 2cqo s ARG 74 Ca -0.04 -0.86 -0.02 0.00 -0.47 0.00 0.00 55.73 54.33 2cqo s ARG 74 Cb -0.12 -2.30 0.04 0.00 -0.57 0.00 0.00 34.95 32.00 2cqo s ARG 74 CO -0.19 0.14 0.12 -1.21 -1.08 0.00 0.00 175.30 173.09 2cqo s GLU 75 N 0.43 0.03 -0.27 3.89 2.02 0.21 -5.03 118.70 119.97 2cqo s GLU 75 Ca -0.17 0.41 -0.03 0.00 0.02 0.00 0.00 54.97 55.20 2cqo s GLU 75 Cb -0.18 -0.26 0.02 0.00 0.10 0.00 0.00 34.13 33.82 2cqo s GLU 75 CO 0.07 -0.24 -0.00 -1.64 0.02 0.00 0.00 175.26 173.47 2cqo s MET 76 N 1.67 2.86 0.02 1.61 -1.94 -1.26 -0.02 119.30 122.22 2cqo s MET 76 Ca -0.03 -0.98 0.03 0.00 -1.71 0.00 0.00 55.69 52.99 2cqo s MET 76 Cb -0.12 -3.15 -0.04 0.00 2.01 0.00 0.00 34.83 33.54 2cqo s MET 76 CO -0.05 -0.45 -0.04 0.21 -0.01 0.00 0.00 175.02 174.68 2cqo s LYS 77 N 1.37 2.60 0.27 2.03 2.47 0.22 -4.98 119.74 123.71 2cqo s LYS 77 Ca 0.00 -0.71 0.18 0.00 -1.56 0.00 0.00 55.97 53.87 2cqo s LYS 77 Cb -0.17 -2.55 0.96 0.00 -1.46 0.00 0.00 37.83 34.61 2cqo s LYS 77 CO -0.02 0.60 1.54 0.27 0.16 0.00 0.00 175.35 177.90 2cqo n ASN 78 N 1.36 0.46 -0.07 1.43 6.94 -1.26 -0.97 115.26 123.16 2cqo n ASN 78 Ca -0.15 0.71 -0.08 0.00 -0.02 0.00 0.00 54.58 55.05 2cqo n ASN 78 Cb 0.52 -0.77 -0.15 0.00 -2.36 0.00 0.00 39.78 37.02 2cqo n ASN 78 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 2cqo n ASP 79 N -2.12 0.20 -3.60 0.53 5.68 -1.26 -5.04 116.55 110.93 2cqo n ASP 79 Ca -0.01 0.09 -0.05 0.00 -0.50 0.00 0.00 54.79 54.33 2cqo n ASP 79 Cb 0.03 0.85 -0.03 0.00 -1.14 0.00 0.00 41.12 40.83 2cqo n ASP 79 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2cqo s ARG 80 N -2.61 0.29 -0.18 0.11 1.70 -0.14 -5.15 118.95 112.96 2cqo s ARG 80 Ca -0.09 -0.06 -0.07 0.00 -0.47 0.00 0.00 55.73 55.04 2cqo s ARG 80 Cb 0.07 0.13 -0.04 0.00 -0.57 0.00 0.00 34.95 34.54 2cqo s ARG 80 CO 0.83 -0.12 0.06 0.42 -1.08 0.00 0.00 175.30 175.42 2cqo s ILE 81 N -1.99 4.76 -0.16 4.99 1.01 -1.26 -0.61 121.20 127.93 2cqo s ILE 81 Ca 0.08 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.70 2cqo s ILE 81 Cb -0.01 -3.14 0.01 0.00 0.01 0.00 0.00 42.46 39.32 2cqo s ILE 81 CO -0.05 0.46 -0.18 -0.75 0.00 0.00 0.00 174.94 174.43 2cqo s LYS 82 N 0.39 3.12 -0.03 2.79 2.47 0.96 -4.97 119.74 124.47 2cqo s LYS 82 Ca 0.03 -0.79 0.02 0.00 -1.56 0.00 0.00 55.97 53.66 2cqo s LYS 82 Cb -0.12 -2.58 0.01 0.00 -1.46 0.00 0.00 37.83 33.68 2cqo s LYS 82 CO 0.00 -0.04 -0.06 0.14 0.16 0.00 0.00 175.35 175.55 2cqo s VAL 83 N 0.93 0.62 -0.08 4.02 -7.23 -1.26 -0.62 120.40 116.78 2cqo s VAL 83 Ca -0.03 -0.23 0.05 0.00 -1.81 0.00 0.00 61.98 59.96 2cqo s VAL 83 Cb -0.15 -0.59 -0.01 0.00 0.56 0.00 0.00 36.38 36.19 2cqo s VAL 83 CO -0.03 0.22 -0.24 -0.44 -0.31 0.00 0.00 175.10 174.30 2cqo s SER 84 N 0.52 3.08 0.23 4.85 0.01 -0.30 -2.17 113.70 119.92 2cqo s SER 84 Ca -0.07 -0.54 0.11 0.00 1.31 0.00 0.00 55.95 56.76 2cqo s SER 84 Cb -0.11 -1.14 -0.05 0.00 0.21 0.00 0.00 66.02 64.94 2cqo s SER 84 CO 0.00 0.20 -0.20 -0.76 0.41 0.00 0.00 173.24 172.89 2cqo s LEU 85 N 0.10 2.52 0.03 2.44 1.43 0.78 -2.20 118.68 123.79 2cqo s LEU 85 Ca -0.12 -0.96 0.06 0.00 -1.03 0.00 0.00 54.13 52.08 2cqo s LEU 85 Cb -0.16 -1.03 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 2cqo s LEU 85 CO 0.06 0.03 -0.18 -0.94 0.23 0.00 0.00 176.35 175.55 2cqo s SER 86 N -3.14 2.11 -0.03 2.29 1.04 -0.36 -4.12 113.70 111.50 2cqo s SER 86 Ca 0.25 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 56.23 2cqo s SER 86 Cb -0.05 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.86 2cqo s SER 86 CO 0.11 0.12 -0.00 0.23 0.98 0.00 0.00 173.24 174.68 2cqo n MET 87 N 1.99 2.35 0.24 4.02 2.81 -1.12 -0.29 117.12 127.11 2cqo n MET 87 Ca -0.17 0.01 0.08 0.00 -1.81 0.00 0.00 57.70 55.81 2cqo n MET 87 Cb 0.54 -1.08 0.59 0.00 -0.71 0.00 0.00 33.22 32.57 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 -0.78 0.03 2.10 -0.97 -1.58 116.57 115.37 2cqo h LYS 88 Ca -0.08 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.50 2cqo h LYS 88 Cb 1.17 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.45 2cqo h LYS 88 CO -0.00 0.17 0.09 1.33 -2.00 0.00 0.00 179.45 179.03 2cqo n VAL 89 N -4.03 1.93 -3.68 0.07 0.24 -1.26 -4.80 118.33 106.79 2cqo n VAL 89 Ca -0.02 -0.98 -0.12 0.00 -2.04 0.00 0.00 64.34 61.18 2cqo n VAL 89 Cb 0.25 -0.42 -0.12 0.00 -1.47 0.00 0.00 33.84 32.08 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 -2.14 -0.29 0.17 3.34 1.01 -0.59 -2.70 120.40 119.19 2cqo s VAL 90 Ca 0.36 0.19 -0.32 0.00 0.00 0.00 0.00 61.98 62.22 2cqo s VAL 90 Cb 0.28 -0.49 -0.11 0.00 0.00 0.00 0.00 36.38 36.06 2cqo s VAL 90 CO 0.10 0.08 1.67 0.21 0.00 0.00 0.00 175.10 177.16 2cqo s ASN 91 N 1.97 6.48 -0.42 3.32 2.47 -1.19 -4.82 114.94 122.76 2cqo s ASN 91 Ca -0.04 2.72 -0.03 0.00 0.42 0.00 0.00 52.86 55.94 2cqo s ASN 91 Cb -0.11 -2.59 0.15 0.00 -1.45 0.00 0.00 41.25 37.25 2cqo s ASN 91 CO -0.10 -0.91 2.43 0.00 -3.72 0.00 0.00 177.10 174.79 2cqo n GLN 92 N 4.37 2.19 0.00 0.43 3.00 -1.26 -2.67 117.38 123.43 2cqo n GLN 92 Ca 0.15 -2.11 0.00 0.00 -0.01 0.00 0.00 57.00 55.03 2cqo n GLN 92 Cb 0.37 -1.95 0.00 0.00 0.00 0.00 0.00 30.24 28.67 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 0.54 0.10 0.00 1.08 0.00 -1.26 -4.91 105.19 100.74 2cqo n GLY 93 Ca 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.10 0.00 -0.87 2.61 -2.24 -1.25 -5.05 114.28 106.37 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 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.47 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 2.68 1.25 3.78 3.38 0.00 -1.09 -5.07 105.19 110.13 2cqo n GLY 95 Ca 0.00 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 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 4.14 0.10 1.61 2.20 -1.26 -4.87 119.74 119.38 2cqo s LYS 96 Ca 0.00 0.46 -0.31 0.00 -0.36 0.00 0.00 55.97 55.76 2cqo s LYS 96 Cb 0.00 -3.32 -0.10 0.00 -1.51 0.00 0.00 37.83 32.90 2cqo s LYS 96 CO 0.00 0.45 1.85 0.34 -0.36 0.00 0.00 175.35 177.63 2cqo s ASP 97 N -0.33 6.43 -0.03 1.43 -1.08 -1.26 -3.15 116.67 118.69 2cqo s ASP 97 Ca 0.25 2.73 0.19 0.00 -0.52 0.00 0.00 52.55 55.20 2cqo s ASP 97 Cb -0.16 -2.56 -0.21 0.00 -1.46 0.00 0.00 42.92 38.53 2cqo s ASP 97 CO 0.13 -1.01 0.54 0.18 0.52 0.00 0.00 175.17 175.52 2cqo n LEU 98 N 6.08 0.40 -3.90 -1.34 4.77 -1.10 -4.59 117.00 117.33 2cqo n LEU 98 Ca 0.18 0.18 -0.34 0.00 -0.03 0.00 0.00 56.01 56.00 2cqo n LEU 98 Cb 0.39 0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.58 2cqo n LEU 98 CO 0.66 0.19 0.36 -0.90 -1.33 0.00 0.00 177.39 176.37 2cqo n ASP 99 N -2.68 4.32 0.00 -1.43 5.75 -1.25 -4.87 116.55 116.39 2cqo n ASP 99 Ca -0.14 -3.27 0.06 0.00 -0.01 0.00 0.00 54.79 51.43 2cqo n ASP 99 Cb 0.84 -0.96 0.34 0.00 -1.03 0.00 0.00 41.12 40.32 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 1.73 0.49 -0.07 0.11 -0.04 -1.26 -2.64 135.00 133.32 2cqo n PRO 100 Ca 0.24 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.62 2cqo n PRO 100 Cb 0.37 -1.37 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.87 2.78 -2.84 3.54 3.02 -1.26 -5.04 115.26 114.59 2cqo n ASN 101 Ca 0.09 -0.06 -0.16 0.00 -0.03 0.00 0.00 54.58 54.42 2cqo n ASN 101 Cb 0.04 0.03 0.06 0.00 -0.61 0.00 0.00 39.78 39.31 2cqo n ASN 101 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2cqo n ASN 102 N -2.78 -3.73 -0.03 6.41 3.02 -1.08 -4.93 115.26 112.14 2cqo n ASN 102 Ca -0.23 -0.44 0.04 0.00 -0.03 0.00 0.00 54.58 53.93 2cqo n ASN 102 Cb 0.78 -3.97 -0.16 0.00 -0.61 0.00 0.00 39.78 35.83 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 -3.90 0.39 0.10 2.41 0.31 -1.26 -4.35 118.33 112.03 2cqo n VAL 103 Ca -0.10 -0.58 -0.24 0.00 -0.01 0.00 0.00 64.34 63.42 2cqo n VAL 103 Cb 0.59 -0.13 -0.15 0.00 -0.91 0.00 0.00 33.84 33.24 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 1.15 0.00 2.52 5.03 -1.98 -3.28 117.51 120.96 2cqo h ILE 104 Ca -0.16 -2.59 0.00 0.00 -0.12 0.00 0.00 64.86 61.99 2cqo h ILE 104 Cb 1.32 2.93 0.00 0.00 -3.03 0.00 0.00 36.82 38.04 2cqo h ILE 104 CO 0.01 0.81 0.01 0.16 -0.68 0.00 0.00 178.15 178.46 2cqo h ILE 105 N 0.05 0.00 -2.87 -0.67 -0.00 -1.99 -3.34 117.51 108.68 2cqo h ILE 105 Ca -0.28 0.00 -0.72 0.00 -0.00 0.00 0.00 64.86 63.86 2cqo h ILE 105 Cb 2.07 0.97 -0.20 0.00 -0.00 0.00 0.00 36.82 39.66 2cqo h ILE 105 CO 0.21 0.00 0.54 -0.70 -0.00 0.00 0.00 178.15 178.20 2cqo s GLU 106 N -4.13 3.53 -0.67 0.16 2.56 -1.24 -4.96 118.70 113.95 2cqo s GLU 106 Ca -0.05 -1.89 -0.01 0.00 0.00 0.00 0.00 54.97 53.02 2cqo s GLU 106 Cb 0.13 -4.69 0.17 0.00 2.00 0.00 0.00 34.13 31.74 2cqo s GLU 106 CO 0.40 -1.61 0.48 0.45 -0.56 0.00 0.00 175.26 174.42 2cqo s SER 107 N 3.21 5.17 -0.59 -1.70 0.15 -1.26 -4.97 113.70 113.72 2cqo s SER 107 Ca 0.26 -3.16 0.06 0.00 0.70 0.00 0.00 55.95 53.82 2cqo s SER 107 Cb -0.09 -1.81 0.27 0.00 -1.71 0.00 0.00 66.02 62.68 2cqo s SER 107 CO -0.07 -0.28 0.75 0.61 1.20 0.00 0.00 173.24 175.45 2cqo n GLY 108 N 3.04 4.68 0.25 9.45 0.00 -1.26 -4.89 105.19 116.47 2cqo n GLY 108 Ca 0.11 -2.61 -0.11 0.00 0.00 0.00 0.00 46.02 43.41 2cqo n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqo h PRO 109 N 3.95 0.81 -1.85 1.61 0.13 -2.05 -3.45 132.00 131.14 2cqo h PRO 109 Ca 0.17 -0.43 0.02 0.00 -0.87 0.00 0.00 66.00 64.89 2cqo h PRO 109 Cb 0.67 0.02 -0.23 0.00 0.13 0.00 0.00 31.00 31.59 2cqo h PRO 109 CO 0.78 1.06 0.20 -1.54 -0.23 0.00 0.00 178.00 178.28 2cqo s SER 110 N -6.85 -0.71 0.23 1.44 1.04 -1.26 -5.18 113.70 102.40 2cqo s SER 110 Ca -0.10 1.26 0.09 0.00 0.48 0.00 0.00 55.95 57.68 2cqo s SER 110 Cb 0.11 1.29 -0.05 0.00 0.10 0.00 0.00 66.02 67.47 2cqo s SER 110 CO 0.86 -0.21 -0.15 -0.94 0.98 0.00 0.00 173.24 173.79 2cqo s SER 111 N 0.86 2.85 0.00 7.02 1.04 -1.26 -5.23 113.70 118.98 2cqo s SER 111 Ca -0.04 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.35 2cqo s SER 111 Cb -0.05 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.89 2cqo s SER 111 CO -0.09 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.60