#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqo n SER -5 N 0.00 1.37 -3.84 1.61 7.64 -1.26 -4.98 113.62 114.15 2cqo n SER -5 Ca 0.00 0.15 -0.31 0.00 1.01 0.00 0.00 58.87 59.72 2cqo n SER -5 Cb 0.00 -0.43 -0.06 0.00 -1.01 0.00 0.00 64.21 62.71 2cqo n SER -5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2cqo n SER -4 N -3.59 -0.91 -2.86 6.43 3.41 -1.26 -4.87 113.62 109.98 2cqo n SER -4 Ca -0.30 -0.96 -0.06 0.00 -0.26 0.00 0.00 58.87 57.28 2cqo n SER -4 Cb 0.73 -1.22 0.01 0.00 -0.26 0.00 0.00 64.21 63.47 2cqo n SER -4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cqo n GLY -3 N -1.23 2.32 3.55 5.00 0.00 -1.26 -5.07 105.19 108.51 2cqo n GLY -3 Ca 0.01 -2.18 -0.39 0.00 0.00 0.00 0.00 46.02 43.47 2cqo n GLY -3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cqo n SER -2 N -2.49 0.14 -4.71 1.61 2.88 -1.26 -4.85 113.62 104.94 2cqo n SER -2 Ca 0.03 0.82 -0.42 0.00 -1.33 0.00 0.00 58.87 57.97 2cqo n SER -2 Cb 0.18 -1.29 -0.03 0.00 -0.75 0.00 0.00 64.21 62.32 2cqo n SER -2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cqo s SER -1 N -1.12 6.47 0.00 -3.46 0.01 -1.26 -4.13 113.70 110.21 2cqo s SER -1 Ca 0.71 2.73 0.00 0.00 1.31 0.00 0.00 55.95 60.70 2cqo s SER -1 Cb -0.46 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.18 2cqo s SER -1 CO 0.52 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.85 2cqo n GLY 0 N 3.95 1.03 3.59 3.44 0.00 -1.26 -5.09 105.19 110.85 2cqo n GLY 0 Ca 0.16 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 3.31 0.02 1.61 -1.94 -1.26 -4.92 119.30 116.12 2cqo s MET 1 Ca 0.00 1.26 -0.35 0.00 -1.71 0.00 0.00 55.69 54.89 2cqo s MET 1 Cb 0.00 -4.18 -0.14 0.00 2.01 0.00 0.00 34.83 32.52 2cqo s MET 1 CO 0.00 -1.89 1.64 0.09 -0.01 0.00 0.00 175.02 174.86 2cqo n ASN 2 N 10.25 2.85 -4.29 3.03 3.02 -1.26 -4.89 115.26 123.97 2cqo n ASN 2 Ca 0.21 1.06 -0.34 0.00 -0.03 0.00 0.00 54.58 55.48 2cqo n ASN 2 Cb 0.47 -1.33 0.09 0.00 -0.61 0.00 0.00 39.78 38.40 2cqo n ASN 2 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2cqo n SER 3 N 4.43 -3.30 0.00 6.41 3.41 -1.26 -5.00 113.62 118.31 2cqo n SER 3 Ca 0.20 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 2cqo n SER 3 Cb 0.25 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 2cqo n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cqo n GLY 4 N 2.14 -0.66 2.76 5.00 0.00 -1.26 -4.96 105.19 108.21 2cqo n GLY 4 Ca 0.04 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 1.69 0.59 1.61 3.52 -1.26 -5.11 118.95 119.99 2cqo s ARG 5 Ca 0.00 -2.51 -0.18 0.00 -0.13 0.00 0.00 55.73 52.91 2cqo s ARG 5 Cb 0.00 -2.68 -0.03 0.00 -1.56 0.00 0.00 34.95 30.67 2cqo s ARG 5 CO 0.00 -1.22 1.12 -1.25 -0.81 0.00 0.00 175.30 173.14 2cqo s PRO 6 N -0.32 3.13 -1.26 5.12 0.04 -1.26 -4.95 135.00 135.50 2cqo s PRO 6 Ca 0.22 1.51 -0.10 0.00 0.04 0.00 0.00 61.00 62.67 2cqo s PRO 6 Cb -0.15 -1.98 0.17 0.00 0.04 0.00 0.00 34.50 32.58 2cqo s PRO 6 CO -0.08 -1.01 1.77 -1.91 0.04 0.00 0.00 177.00 175.82 2cqo n GLU 7 N -1.77 3.58 -4.81 4.56 2.13 -1.26 -4.95 120.64 118.12 2cqo n GLU 7 Ca 0.11 -3.61 -0.33 0.00 0.66 0.00 0.00 57.16 53.99 2cqo n GLU 7 Cb 0.51 -2.95 -0.16 0.00 0.27 0.00 0.00 31.44 29.12 2cqo n GLU 7 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2cqo s THR 8 N 0.61 2.29 -0.84 6.31 -4.23 -1.26 -5.04 115.64 113.49 2cqo s THR 8 Ca 0.40 -0.91 -0.22 0.00 -1.18 0.00 0.00 61.69 59.78 2cqo s THR 8 Cb 0.07 -1.92 -0.18 0.00 1.34 0.00 0.00 72.50 71.80 2cqo s THR 8 CO 0.01 0.54 2.30 0.23 -0.54 0.00 0.00 174.62 177.15 2cqo n MET 9 N 3.86 0.39 -0.30 3.99 2.81 -1.26 -4.74 117.12 121.87 2cqo n MET 9 Ca -0.19 -0.78 0.28 0.00 -1.81 0.00 0.00 57.70 55.19 2cqo n MET 9 Cb 0.52 -3.18 0.51 0.00 -0.71 0.00 0.00 33.22 30.36 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 8.03 -0.06 -0.11 0.03 -0.58 -1.26 0.33 120.64 127.02 2cqo n GLU 10 Ca 0.49 1.31 -0.07 0.00 -0.42 0.00 0.00 57.16 58.46 2cqo n GLU 10 Cb 0.39 -2.30 -0.01 0.00 -0.57 0.00 0.00 31.44 28.94 2cqo n GLU 10 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 2cqo h ASN 11 N 0.00 -1.00 -4.01 1.62 4.21 -1.96 -3.41 115.58 111.03 2cqo h ASN 11 Ca 0.76 0.18 -0.53 0.00 1.21 0.00 0.00 56.30 57.93 2cqo h ASN 11 Cb 1.97 0.48 0.10 0.00 -1.12 0.00 0.00 38.32 39.74 2cqo h ASN 11 CO -0.74 -0.31 0.55 -0.76 -1.29 0.00 0.00 177.43 174.88 2cqo s LEU 12 N -10.58 3.98 0.00 1.61 1.43 0.15 -4.77 118.68 110.50 2cqo s LEU 12 Ca -0.15 2.54 -0.02 0.00 -1.03 0.00 0.00 54.13 55.48 2cqo s LEU 12 Cb 0.13 -4.20 0.03 0.00 0.03 0.00 0.00 46.19 42.18 2cqo s LEU 12 CO 0.68 -1.16 0.09 -0.81 0.23 0.00 0.00 176.35 175.38 2cqo n PRO 13 N -0.61 -1.20 -2.17 1.29 -0.04 -1.26 -4.90 135.00 126.12 2cqo n PRO 13 Ca 0.08 -0.15 -0.13 0.00 -0.04 0.00 0.00 63.50 63.27 2cqo n PRO 13 Cb 0.46 -0.14 0.05 0.00 -0.04 0.00 0.00 33.50 33.84 2cqo n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cqo n ALA 14 N -3.16 0.64 -1.77 0.55 0.00 -1.26 -5.04 120.51 110.47 2cqo n ALA 14 Ca -0.02 -1.32 -0.38 0.00 0.00 0.00 0.00 53.44 51.73 2cqo n ALA 14 Cb 0.05 0.33 -0.02 0.00 0.00 0.00 0.00 19.45 19.80 2cqo n ALA 14 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2cqo s LEU 15 N 0.00 4.17 -1.77 0.00 2.96 -1.26 -3.01 118.68 119.77 2cqo s LEU 15 Ca 0.40 2.28 0.00 0.00 -0.22 0.00 0.00 54.13 56.59 2cqo s LEU 15 Cb -0.03 -4.07 0.00 0.00 0.50 0.00 0.00 46.19 42.59 2cqo s LEU 15 CO 0.25 -0.66 0.00 -1.22 -1.32 0.00 0.00 176.35 173.40 2cqo n TYR 16 N 0.00 -0.87 -3.29 5.38 4.01 -0.81 -4.96 117.16 116.62 2cqo n TYR 16 Ca 0.05 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.40 2cqo n TYR 16 Cb 0.47 -3.84 -0.06 0.00 -0.31 0.00 0.00 39.34 35.60 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 -2.99 5.03 -0.21 -0.72 2.01 -1.16 -4.79 115.64 112.81 2cqo s THR 17 Ca 0.00 1.08 -0.09 0.00 0.31 0.00 0.00 61.69 62.99 2cqo s THR 17 Cb 0.00 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 2cqo s THR 17 CO 0.00 0.41 0.11 -0.63 -0.69 0.00 0.00 174.62 173.82 2cqo s ILE 18 N -0.04 5.03 0.12 1.82 1.01 -1.26 -2.07 121.20 125.81 2cqo s ILE 18 Ca 0.28 0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.88 2cqo s ILE 18 Cb -0.17 -3.31 0.01 0.00 0.01 0.00 0.00 42.46 39.01 2cqo s ILE 18 CO 0.14 0.41 0.29 0.72 0.00 0.00 0.00 174.94 176.50 2cqo s PHE 19 N 0.71 0.08 -0.16 3.97 -0.12 -0.88 -5.02 117.98 116.56 2cqo s PHE 19 Ca 0.06 -0.46 -0.14 0.00 -0.05 0.00 0.00 56.93 56.33 2cqo s PHE 19 Cb -0.13 0.06 -0.05 0.00 -0.63 0.00 0.00 43.02 42.28 2cqo s PHE 19 CO 0.02 -0.65 0.30 -1.14 -0.05 0.00 0.00 175.22 173.70 2cqo s GLN 20 N -3.87 4.26 0.12 1.99 0.74 -1.26 -1.77 119.66 119.87 2cqo s GLN 20 Ca 0.07 0.10 -0.00 0.00 0.05 0.00 0.00 55.36 55.58 2cqo s GLN 20 Cb 0.03 -3.43 -0.04 0.00 1.10 0.00 0.00 33.01 30.68 2cqo s GLN 20 CO -0.09 0.24 0.01 0.20 -0.55 0.00 0.00 175.29 175.10 2cqo s GLY 21 N 0.47 0.89 -0.01 2.59 0.00 -0.04 -4.17 107.32 107.05 2cqo s GLY 21 Ca 0.17 -1.42 0.04 0.00 0.00 0.00 0.00 44.72 43.51 2cqo s GLY 21 CO 0.04 -1.39 -0.12 1.85 0.00 0.00 0.00 173.10 173.47 2cqo s GLU 22 N -3.97 2.43 0.22 2.90 2.12 -1.20 -0.34 118.70 120.86 2cqo s GLU 22 Ca 0.19 -0.76 -0.30 0.00 0.36 0.00 0.00 54.97 54.46 2cqo s GLU 22 Cb 0.07 -2.39 -0.10 0.00 0.26 0.00 0.00 34.13 31.98 2cqo s GLU 22 CO -0.01 0.60 1.41 0.08 -0.54 0.00 0.00 175.26 176.79 2cqo s VAL 23 N -0.86 2.86 0.00 3.70 1.01 -0.79 -1.33 120.40 124.99 2cqo s VAL 23 Ca 0.14 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.82 2cqo s VAL 23 Cb -0.11 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2cqo s VAL 23 CO 0.04 0.10 0.00 0.00 0.00 0.00 0.00 175.10 175.24 2cqo n ALA 24 N 2.61 1.77 -3.14 5.51 0.00 -0.67 -2.07 120.51 124.52 2cqo n ALA 24 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 2cqo n ALA 24 Cb 0.41 0.02 -0.11 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.77 0.30 -0.14 0.00 1.75 -1.24 -4.91 119.30 113.30 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 0.15 0.01 0.00 2.84 0.00 0.00 34.83 37.83 2cqo s MET 25 CO 0.00 -0.04 -0.21 0.08 -0.65 0.00 0.00 175.02 174.20 2cqo s VAL 26 N 0.08 2.00 0.19 10.11 1.01 -1.26 -0.98 120.40 131.55 2cqo s VAL 26 Ca -0.00 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.12 2cqo s VAL 26 Cb -0.02 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2cqo s VAL 26 CO 0.00 0.54 -0.16 0.42 0.00 0.00 0.00 175.10 175.90 2cqo s THR 27 N 0.93 1.76 -1.44 3.92 -4.23 0.19 -5.00 115.64 111.76 2cqo s THR 27 Ca -0.05 -2.08 0.14 0.00 -1.18 0.00 0.00 61.69 58.53 2cqo s THR 27 Cb -0.15 -1.94 0.25 0.00 1.34 0.00 0.00 72.50 72.00 2cqo s THR 27 CO -0.04 -0.48 1.38 -0.90 -0.54 0.00 0.00 174.62 174.04 2cqo n ASP 28 N -0.08 0.00 -0.23 3.99 5.68 -1.26 -1.64 116.55 123.01 2cqo n ASP 28 Ca -0.10 0.08 0.02 0.00 -0.50 0.00 0.00 54.79 54.28 2cqo n ASP 28 Cb 0.59 -0.28 0.05 0.00 -1.14 0.00 0.00 41.12 40.33 2cqo n ASP 28 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2cqo n TYR 29 N -1.28 0.12 -1.45 2.11 0.18 -1.26 -4.67 117.16 110.91 2cqo n TYR 29 Ca 0.07 -0.32 0.00 0.00 1.88 0.00 0.00 57.90 59.52 2cqo n TYR 29 Cb 0.11 -0.03 0.00 0.00 -0.38 0.00 0.00 39.34 39.05 2cqo n TYR 29 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2cqo n GLY 30 N 0.03 0.25 3.04 -7.48 0.00 -0.65 -1.66 105.19 98.71 2cqo n GLY 30 Ca 0.04 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 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 0.02 -0.12 4.61 0.00 -0.58 0.54 121.76 125.23 2cqo s ALA 31 Ca 0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 51.96 51.31 2cqo s ALA 31 Cb 0.00 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.24 2cqo s ALA 31 CO 0.00 -0.21 0.27 -0.06 0.00 0.00 0.00 175.76 175.75 2cqo s PHE 32 N -1.82 3.56 -0.11 0.00 0.40 -0.15 0.02 117.98 119.88 2cqo s PHE 32 Ca -0.12 0.65 0.02 0.00 -0.60 0.00 0.00 56.93 56.88 2cqo s PHE 32 Cb -0.07 -2.21 -0.01 0.00 0.51 0.00 0.00 43.02 41.24 2cqo s PHE 32 CO -0.02 0.47 -0.18 0.42 0.70 0.00 0.00 175.22 176.61 2cqo s ILE 33 N -0.29 2.66 -0.11 0.64 -1.09 0.34 -1.67 121.20 121.68 2cqo s ILE 33 Ca 0.17 -0.81 -0.24 0.00 -2.23 0.00 0.00 60.65 57.53 2cqo s ILE 33 Cb -0.13 -2.07 -0.03 0.00 -1.58 0.00 0.00 42.46 38.65 2cqo s ILE 33 CO 0.06 0.55 0.75 -0.54 -1.23 0.00 0.00 174.94 174.52 2cqo s LYS 34 N 0.20 4.38 0.07 2.79 1.02 -0.44 -1.97 119.74 125.78 2cqo s LYS 34 Ca -0.11 0.93 -0.28 0.00 0.02 0.00 0.00 55.97 56.54 2cqo s LYS 34 Cb -0.16 -3.50 -0.05 0.00 -0.52 0.00 0.00 37.83 33.60 2cqo s LYS 34 CO 0.06 -0.10 0.87 0.42 -0.92 0.00 0.00 175.35 175.68 2cqo s ILE 35 N 1.36 4.64 0.18 2.17 1.01 -1.26 -3.23 121.20 126.07 2cqo s ILE 35 Ca 0.38 1.87 -0.30 0.00 0.00 0.00 0.00 60.65 62.59 2cqo s ILE 35 Cb -0.17 -4.23 -0.08 0.00 0.01 0.00 0.00 42.46 37.98 2cqo s ILE 35 CO 0.16 0.32 1.32 -2.16 0.00 0.00 0.00 174.94 174.58 2cqo s PRO 36 N 0.08 4.38 0.00 2.79 0.04 -1.26 -2.61 135.00 138.43 2cqo s PRO 36 Ca 0.44 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2cqo s PRO 36 Cb -0.22 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2cqo s PRO 36 CO 0.26 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.43 2cqo n GLY 37 N 2.62 2.72 3.86 0.56 0.00 -1.26 -4.97 105.19 108.71 2cqo n GLY 37 Ca 0.07 0.00 -0.25 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 -1.61 0.63 -2.37 0.00 3.00 -1.26 -4.77 116.66 110.28 2cqo n ARG 39 Ca -0.01 0.05 -0.37 0.00 -0.00 0.00 0.00 57.85 57.51 2cqo n ARG 39 Cb 0.64 -1.20 -0.02 0.00 0.00 0.00 0.00 32.46 31.88 2cqo n ARG 39 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2cqo s LYS 40 N -2.20 4.01 0.19 -0.14 2.47 -1.26 -4.91 119.74 117.91 2cqo s LYS 40 Ca -0.12 1.70 0.09 0.00 -1.56 0.00 0.00 55.97 56.09 2cqo s LYS 40 Cb 0.03 -2.56 -0.04 0.00 -1.46 0.00 0.00 37.83 33.80 2cqo s LYS 40 CO 0.24 -0.32 -0.10 -0.65 0.16 0.00 0.00 175.35 174.69 2cqo s GLN 41 N -2.47 2.04 0.08 4.03 -0.21 -1.26 -4.02 119.66 117.86 2cqo s GLN 41 Ca 0.59 -1.30 0.08 0.00 0.02 0.00 0.00 55.36 54.75 2cqo s GLN 41 Cb -0.27 -2.14 -0.04 0.00 1.00 0.00 0.00 33.01 31.56 2cqo s GLN 41 CO 0.34 0.43 -0.16 0.20 -2.12 0.00 0.00 175.29 173.97 2cqo s GLY 42 N -2.88 1.68 -0.06 3.09 0.00 -0.83 -4.67 107.32 103.66 2cqo s GLY 42 Ca 0.25 -1.26 -0.10 0.00 0.00 0.00 0.00 44.72 43.61 2cqo s GLY 42 CO 0.15 -1.21 0.26 -2.27 0.00 0.00 0.00 173.10 170.03 2cqo s LEU 43 N -1.89 4.42 -0.23 0.66 2.96 -0.60 -0.51 118.68 123.48 2cqo s LEU 43 Ca 0.17 0.67 -0.01 0.00 -0.22 0.00 0.00 54.13 54.74 2cqo s LEU 43 Cb -0.11 -2.36 0.02 0.00 0.50 0.00 0.00 46.19 44.25 2cqo s LEU 43 CO 0.09 0.35 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.70 2cqo s VAL 44 N -1.09 2.79 0.44 1.68 1.01 0.10 -1.03 120.40 124.29 2cqo s VAL 44 Ca 0.20 -0.97 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 2cqo s VAL 44 Cb -0.14 -2.37 -0.10 0.00 0.00 0.00 0.00 36.38 33.77 2cqo s VAL 44 CO 0.09 0.27 1.04 1.57 0.00 0.00 0.00 175.10 178.07 2cqo n HIS 45 N 4.67 1.26 0.07 5.22 -0.00 -1.25 -1.53 115.22 123.65 2cqo n HIS 45 Ca -0.17 0.54 0.08 0.00 0.46 0.00 0.00 57.72 58.62 2cqo n HIS 45 Cb 0.48 -2.24 0.52 0.00 -0.12 0.00 0.00 29.99 28.63 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 1.52 0.31 0.00 1.57 0.11 -1.66 0.72 114.38 116.96 2cqo h ARG 46 Ca -0.45 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2cqo h ARG 46 Cb 1.33 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.34 2cqo h ARG 46 CO 0.57 0.21 0.00 0.00 0.10 0.00 0.00 179.97 180.84 2cqo h THR 47 N 0.32 0.00 0.00 0.08 1.03 -1.86 -3.09 112.91 109.40 2cqo h THR 47 Ca 0.13 -0.58 0.00 0.00 -0.01 0.00 0.00 66.41 65.95 2cqo h THR 47 Cb 0.13 1.55 0.00 0.00 -1.07 0.00 0.00 68.15 68.76 2cqo h THR 47 CO -0.03 0.00 -1.17 1.41 -0.01 0.00 0.00 175.52 175.72 2cqo n HIS 48 N -2.53 0.46 0.04 0.00 8.25 0.14 -4.09 115.22 117.48 2cqo n HIS 48 Ca 0.04 0.13 -0.05 0.00 -0.26 0.00 0.00 57.72 57.59 2cqo n HIS 48 Cb 0.42 -0.63 0.15 0.00 1.12 0.00 0.00 29.99 31.06 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 0.42 -3.26 -0.41 2.86 -1.18 0.83 114.93 114.19 2cqo h MET 49 Ca 0.00 -0.21 -0.15 0.00 -2.06 0.00 0.00 59.70 57.28 2cqo h MET 49 Cb 0.86 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 32.29 2cqo h MET 49 CO 0.00 0.76 -0.44 0.45 1.06 0.00 0.00 176.91 178.75 2cqo s SER 50 N -6.86 -0.15 -0.09 1.22 0.15 -1.25 -4.21 113.70 102.50 2cqo s SER 50 Ca -0.06 0.20 -0.26 0.00 0.70 0.00 0.00 55.95 56.53 2cqo s SER 50 Cb 0.13 0.36 -0.27 0.00 -1.71 0.00 0.00 66.02 64.52 2cqo s SER 50 CO 0.80 -0.22 0.86 0.77 1.20 0.00 0.00 173.24 176.65 2cqo h SER 51 N 5.03 0.20 -2.35 5.45 4.64 -1.87 -3.44 113.55 121.21 2cqo h SER 51 Ca -0.28 -0.94 -0.26 0.00 -0.47 0.00 0.00 61.79 59.84 2cqo h SER 51 Cb 1.19 -0.06 0.15 0.00 -0.31 0.00 0.00 62.40 63.37 2cqo h SER 51 CO 0.38 1.13 -0.13 0.00 -0.87 0.00 0.00 176.83 177.35 2cqo n ARG 53 N -4.55 2.76 -4.09 0.00 0.00 -1.26 -4.99 116.66 104.52 2cqo n ARG 53 Ca 0.10 0.99 -0.33 0.00 -0.00 0.00 0.00 57.85 58.60 2cqo n ARG 53 Cb 0.43 -2.80 -0.16 0.00 0.00 0.00 0.00 32.46 29.93 2cqo n ARG 53 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2cqo s VAL 54 N 0.53 2.22 -0.25 5.15 1.01 -1.26 -4.99 120.40 122.81 2cqo s VAL 54 Ca 0.69 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 2cqo s VAL 54 Cb -0.50 -1.95 -0.16 0.00 0.00 0.00 0.00 36.38 33.77 2cqo s VAL 54 CO 0.41 0.51 -0.20 -0.67 0.00 0.00 0.00 175.10 175.15 2cqo n ASP 55 N 4.64 1.98 -3.67 3.32 2.03 -1.26 -4.97 116.55 118.61 2cqo n ASP 55 Ca -0.20 0.10 -0.12 0.00 0.52 0.00 0.00 54.79 55.08 2cqo n ASP 55 Cb 0.50 -0.64 -0.12 0.00 -0.72 0.00 0.00 41.12 40.14 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 -2.51 0.19 0.21 -0.67 1.02 -1.26 -5.02 119.74 111.70 2cqo s LYS 56 Ca -0.35 0.76 0.22 0.00 0.02 0.00 0.00 55.97 56.62 2cqo s LYS 56 Cb 0.11 0.01 0.91 0.00 -0.52 0.00 0.00 37.83 38.33 2cqo s LYS 56 CO 0.57 -0.26 1.66 -0.35 -0.92 0.00 0.00 175.35 176.05 2cqo n PRO 57 N 5.14 0.15 0.20 -1.68 -0.04 -1.26 -2.30 135.00 135.20 2cqo n PRO 57 Ca -0.10 0.39 0.14 0.00 -0.04 0.00 0.00 63.50 63.89 2cqo n PRO 57 Cb 0.50 -1.80 0.42 0.00 -0.04 0.00 0.00 33.50 32.59 2cqo n PRO 57 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2cqo h SER 58 N 0.00 0.00 -0.37 3.54 0.87 -1.84 -2.84 113.55 112.91 2cqo h SER 58 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2cqo h SER 58 Cb 0.33 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2cqo h SER 58 CO 0.00 0.00 0.00 -1.84 -0.53 0.00 0.00 176.83 174.46 2cqo n GLU 59 N -2.76 2.35 -0.08 2.24 0.28 -0.98 -4.39 120.64 117.30 2cqo n GLU 59 Ca 0.03 -2.14 -0.11 0.00 -0.16 0.00 0.00 57.16 54.78 2cqo n GLU 59 Cb 0.39 -1.43 -0.10 0.00 1.43 0.00 0.00 31.44 31.74 2cqo n GLU 59 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2cqo n ILE 60 N 1.21 1.04 -4.24 3.84 5.41 -1.09 -5.04 119.36 120.48 2cqo n ILE 60 Ca 0.17 -0.48 -0.14 0.00 1.00 0.00 0.00 62.75 63.30 2cqo n ILE 60 Cb 0.53 -0.96 -0.10 0.00 -0.71 0.00 0.00 39.64 38.40 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 -2.36 0.89 -0.17 1.39 -7.23 -1.13 -5.14 120.40 106.66 2cqo s VAL 61 Ca -0.19 -2.01 -0.19 0.00 -1.81 0.00 0.00 61.98 57.79 2cqo s VAL 61 Cb 0.06 -1.99 0.05 0.00 0.56 0.00 0.00 36.38 35.06 2cqo s VAL 61 CO 0.49 -0.61 0.51 -1.81 -0.31 0.00 0.00 175.10 173.37 2cqo s ASP 62 N -3.17 -0.52 -0.19 4.85 1.01 -1.26 -4.71 116.67 112.69 2cqo s ASP 62 Ca 0.20 0.94 -0.38 0.00 0.71 0.00 0.00 52.55 54.02 2cqo s ASP 62 Cb 0.05 0.96 -0.15 0.00 1.01 0.00 0.00 42.92 44.79 2cqo s ASP 62 CO 0.02 -0.24 1.73 0.52 0.21 0.00 0.00 175.17 177.41 2cqo n VAL 63 N 2.52 0.33 0.00 -1.27 0.31 -1.26 -1.42 118.33 117.54 2cqo n VAL 63 Ca -0.15 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2cqo n VAL 63 Cb 0.56 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 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 4.06 1.13 3.70 2.92 0.00 -0.88 -4.99 105.19 111.12 2cqo n GLY 64 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.99 7.20 -0.12 1.61 1.11 -0.51 -4.80 116.67 120.17 2cqo s ASP 65 Ca 0.00 1.70 -0.15 0.00 0.18 0.00 0.00 52.55 54.28 2cqo s ASP 65 Cb 0.00 -2.56 -0.05 0.00 1.07 0.00 0.00 42.92 41.38 2cqo s ASP 65 CO 0.00 -0.45 0.36 -0.75 1.18 0.00 0.00 175.17 175.51 2cqo s LYS 66 N 1.74 4.20 0.20 8.23 2.20 -1.26 -1.88 119.74 133.17 2cqo s LYS 66 Ca 0.53 0.24 -0.02 0.00 -0.36 0.00 0.00 55.97 56.35 2cqo s LYS 66 Cb -0.22 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 2cqo s LYS 66 CO 0.23 0.30 0.16 0.14 -0.36 0.00 0.00 175.35 175.82 2cqo s VAL 67 N 0.22 0.00 -0.16 4.02 -7.23 0.54 -4.97 120.40 112.82 2cqo s VAL 67 Ca 0.20 -1.94 -0.10 0.00 -1.81 0.00 0.00 61.98 58.33 2cqo s VAL 67 Cb -0.14 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 2cqo s VAL 67 CO 0.07 0.00 0.17 0.26 -0.31 0.00 0.00 175.10 175.30 2cqo s TRP 68 N -4.14 3.49 0.11 2.82 0.52 -1.26 -0.86 118.94 119.61 2cqo s TRP 68 Ca 0.37 0.46 0.05 0.00 0.02 0.00 0.00 56.10 57.00 2cqo s TRP 68 Cb 0.06 -2.14 -0.04 0.00 -1.15 0.00 0.00 33.47 30.21 2cqo s TRP 68 CO 0.12 0.42 -0.12 0.14 0.02 0.00 0.00 176.95 177.53 2cqo s VAL 69 N -0.07 1.13 -0.08 4.03 -7.23 -0.73 -4.59 120.40 112.87 2cqo s VAL 69 Ca 0.12 -1.72 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 2cqo s VAL 69 Cb -0.12 -1.48 0.02 0.00 0.56 0.00 0.00 36.38 35.36 2cqo s VAL 69 CO 0.01 -0.52 -0.10 -0.75 -0.31 0.00 0.00 175.10 173.44 2cqo s LYS 70 N -2.83 1.54 0.20 4.82 2.20 0.30 -2.08 119.74 123.88 2cqo s LYS 70 Ca 0.08 -0.32 -0.32 0.00 -0.36 0.00 0.00 55.97 55.05 2cqo s LYS 70 Cb -0.03 -1.40 -0.11 0.00 -1.51 0.00 0.00 37.83 34.77 2cqo s LYS 70 CO 0.01 -0.08 1.69 -1.17 -0.36 0.00 0.00 175.35 175.43 2cqo s LEU 71 N 1.05 4.37 -0.00 5.43 2.96 -0.88 -1.38 118.68 130.23 2cqo s LEU 71 Ca -0.08 2.81 0.03 0.00 -0.22 0.00 0.00 54.13 56.68 2cqo s LEU 71 Cb -0.15 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.90 2cqo s LEU 71 CO -0.01 -0.94 0.07 2.30 -1.32 0.00 0.00 176.35 176.45 2cqo n ILE 72 N 3.94 0.00 -3.28 6.68 -5.35 -0.90 -1.92 119.36 118.53 2cqo n ILE 72 Ca 0.15 -0.08 0.03 0.00 -0.27 0.00 0.00 62.75 62.58 2cqo n ILE 72 Cb 0.36 0.45 -0.03 0.00 -1.74 0.00 0.00 39.64 38.68 2cqo n ILE 72 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2cqo s GLY 73 N -2.32 -0.32 -0.17 3.28 0.00 -1.21 -4.92 107.32 101.66 2cqo s GLY 73 Ca -0.01 2.84 0.00 0.00 0.00 0.00 0.00 44.72 47.55 2cqo s GLY 73 CO 0.13 3.47 -0.16 1.09 0.00 0.00 0.00 173.10 177.62 2cqo s ARG 74 N 2.67 3.14 -0.08 2.90 1.70 -1.26 -0.35 118.95 127.67 2cqo s ARG 74 Ca 0.01 -0.77 0.00 0.00 -0.47 0.00 0.00 55.73 54.49 2cqo s ARG 74 Cb -0.08 -2.63 0.02 0.00 -0.57 0.00 0.00 34.95 31.69 2cqo s ARG 74 CO -0.15 -0.08 -0.05 -1.21 -1.08 0.00 0.00 175.30 172.72 2cqo s GLU 75 N 1.04 1.10 -0.20 3.89 0.41 -0.85 -5.04 118.70 119.05 2cqo s GLU 75 Ca -0.01 -0.13 0.00 0.00 -0.41 0.00 0.00 54.97 54.42 2cqo s GLU 75 Cb -0.15 -1.19 0.02 0.00 -1.78 0.00 0.00 34.13 31.03 2cqo s GLU 75 CO -0.04 -0.19 -0.16 0.00 -0.49 0.00 0.00 175.26 174.38 2cqo s MET 76 N 1.45 3.01 0.11 1.61 0.23 -1.26 -1.23 119.30 123.21 2cqo s MET 76 Ca -0.02 -0.83 0.08 0.00 -1.03 0.00 0.00 55.69 53.89 2cqo s MET 76 Cb -0.13 -2.69 -0.04 0.00 -1.53 0.00 0.00 34.83 30.43 2cqo s MET 76 CO -0.04 -0.24 -0.15 0.21 -2.03 0.00 0.00 175.02 172.77 2cqo s LYS 77 N 1.32 1.91 0.27 3.16 2.36 0.11 -4.98 119.74 123.89 2cqo s LYS 77 Ca 0.04 -1.12 0.18 0.00 -2.55 0.00 0.00 55.97 52.52 2cqo s LYS 77 Cb -0.14 -2.18 0.97 0.00 -1.05 0.00 0.00 37.83 35.44 2cqo s LYS 77 CO -0.10 0.49 1.55 0.09 1.55 0.00 0.00 175.35 178.93 2cqo n ASN 78 N 0.81 0.47 -0.07 1.43 3.02 -1.26 -0.97 115.26 118.68 2cqo n ASN 78 Ca -0.15 0.72 -0.07 0.00 -0.03 0.00 0.00 54.58 55.05 2cqo n ASN 78 Cb 0.53 -0.77 -0.15 0.00 -0.61 0.00 0.00 39.78 38.77 2cqo n ASN 78 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2cqo n ASP 79 N -2.13 0.16 -3.60 6.41 2.03 -1.26 -5.04 116.55 113.11 2cqo n ASP 79 Ca -0.01 0.07 -0.05 0.00 0.52 0.00 0.00 54.79 55.32 2cqo n ASP 79 Cb 0.03 0.93 -0.03 0.00 -0.72 0.00 0.00 41.12 41.33 2cqo n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2cqo s ARG 80 N -2.64 0.29 -0.10 -0.67 1.70 -0.14 -5.16 118.95 112.23 2cqo s ARG 80 Ca -0.09 -0.05 0.03 0.00 -0.47 0.00 0.00 55.73 55.15 2cqo s ARG 80 Cb 0.07 0.14 0.01 0.00 -0.57 0.00 0.00 34.95 34.59 2cqo s ARG 80 CO 0.84 -0.12 -0.20 0.42 -1.08 0.00 0.00 175.30 175.16 2cqo s ILE 81 N -1.95 1.75 -0.07 4.99 1.01 -1.26 0.08 121.20 125.75 2cqo s ILE 81 Ca 0.08 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.92 2cqo s ILE 81 Cb -0.01 -1.55 0.01 0.00 0.01 0.00 0.00 42.46 40.93 2cqo s ILE 81 CO -0.05 0.49 -0.13 -0.54 0.00 0.00 0.00 174.94 174.72 2cqo s LYS 82 N 0.58 1.76 -0.10 2.79 1.02 -0.37 -4.99 119.74 120.44 2cqo s LYS 82 Ca -0.14 -0.43 0.02 0.00 0.02 0.00 0.00 55.97 55.44 2cqo s LYS 82 Cb -0.17 -1.47 -0.01 0.00 -0.52 0.00 0.00 37.83 35.66 2cqo s LYS 82 CO 0.05 0.01 -0.17 0.08 -0.92 0.00 0.00 175.35 174.40 2cqo s VAL 83 N 0.73 2.73 -0.18 3.17 1.01 -1.26 -2.00 120.40 124.60 2cqo s VAL 83 Ca -0.13 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 2cqo s VAL 83 Cb -0.16 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2cqo s VAL 83 CO 0.03 0.55 0.06 -0.44 0.00 0.00 0.00 175.10 175.30 2cqo s SER 84 N 0.09 5.64 0.16 3.32 0.01 0.52 -1.56 113.70 121.88 2cqo s SER 84 Ca -0.08 0.09 0.08 0.00 1.31 0.00 0.00 55.95 57.35 2cqo s SER 84 Cb -0.15 -1.96 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 2cqo s SER 84 CO 0.05 0.18 -0.17 -0.76 0.41 0.00 0.00 173.24 172.96 2cqo s LEU 85 N 0.33 2.44 0.03 2.44 1.43 -0.20 -2.12 118.68 123.04 2cqo s LEU 85 Ca 0.03 -0.87 0.05 0.00 -1.03 0.00 0.00 54.13 52.31 2cqo s LEU 85 Cb -0.12 -0.73 -0.02 0.00 0.03 0.00 0.00 46.19 45.35 2cqo s LEU 85 CO 0.00 -0.08 -0.14 -0.94 0.23 0.00 0.00 176.35 175.42 2cqo s SER 86 N -2.70 1.62 0.00 2.29 1.04 -0.48 -3.96 113.70 111.52 2cqo s SER 86 Ca 0.15 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.15 2cqo s SER 86 Cb -0.05 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2cqo s SER 86 CO 0.06 0.04 0.00 0.23 0.98 0.00 0.00 173.24 174.55 2cqo n MET 87 N 2.01 0.85 0.00 4.02 2.81 -0.85 -0.54 117.12 125.41 2cqo n MET 87 Ca -0.18 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 55.81 2cqo n MET 87 Cb 0.55 -0.98 0.40 0.00 -0.71 0.00 0.00 33.22 32.48 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 -1.53 0.00 -0.22 0.03 2.85 0.28 -2.25 118.16 117.33 2cqo n LYS 88 Ca 0.00 0.17 0.06 0.00 -1.05 0.00 0.00 58.31 57.49 2cqo n LYS 88 Cb 0.08 -1.50 0.17 0.00 -0.65 0.00 0.00 35.03 33.13 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 -1.50 1.22 -4.25 0.58 0.24 -1.26 -4.87 118.33 108.49 2cqo n VAL 89 Ca 0.05 -1.15 -0.17 0.00 -2.04 0.00 0.00 64.34 61.02 2cqo n VAL 89 Cb 0.22 0.37 -0.14 0.00 -1.47 0.00 0.00 33.84 32.82 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 -1.31 0.63 -0.07 3.34 1.01 -0.95 -2.07 120.40 120.97 2cqo s VAL 90 Ca 0.26 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 2cqo s VAL 90 Cb 0.15 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 2cqo s VAL 90 CO 0.14 0.06 1.13 0.21 0.00 0.00 0.00 175.10 176.65 2cqo s ASN 91 N -0.49 7.12 -0.23 3.32 3.84 -1.20 -4.92 114.94 122.38 2cqo s ASN 91 Ca 0.01 1.72 -0.03 0.00 0.21 0.00 0.00 52.86 54.77 2cqo s ASN 91 Cb -0.04 -2.56 0.02 0.00 -0.55 0.00 0.00 41.25 38.11 2cqo s ASN 91 CO -0.00 -0.53 2.64 0.00 -2.79 0.00 0.00 177.10 176.41 2cqo n GLN 92 N 5.11 1.91 0.00 0.43 3.00 -1.26 -2.11 117.38 124.45 2cqo n GLN 92 Ca 0.10 -1.42 0.00 0.00 -0.01 0.00 0.00 57.00 55.67 2cqo n GLN 92 Cb 0.47 -1.77 0.00 0.00 0.00 0.00 0.00 30.24 28.94 2cqo n GLN 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2cqo n GLY 93 N 1.21 0.13 0.00 1.08 0.00 -1.26 -4.92 105.19 101.43 2cqo n GLY 93 Ca 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.09 0.00 -1.81 2.61 -2.24 -1.24 -5.04 114.28 105.46 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 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 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 2.27 0.62 3.78 3.38 0.00 -0.90 -5.04 105.19 109.29 2cqo n GLY 95 Ca 0.00 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.73 4.05 -0.04 1.61 2.20 -1.26 -4.84 119.74 117.73 2cqo s LYS 96 Ca 0.00 0.11 -0.35 0.00 -0.36 0.00 0.00 55.97 55.37 2cqo s LYS 96 Cb 0.00 -3.34 -0.13 0.00 -1.51 0.00 0.00 37.83 32.85 2cqo s LYS 96 CO 0.00 0.42 1.76 -3.47 -0.36 0.00 0.00 175.35 173.70 2cqo n ASP 97 N 2.95 3.12 -0.04 1.43 2.03 -1.26 -3.23 116.55 121.54 2cqo n ASP 97 Ca -0.14 1.02 -0.09 0.00 0.52 0.00 0.00 54.79 56.10 2cqo n ASP 97 Cb 0.52 -1.34 -0.15 0.00 -0.72 0.00 0.00 41.12 39.43 2cqo n ASP 97 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2cqo n LEU 98 N 5.45 0.71 -3.78 -2.67 4.77 -0.88 -4.63 117.00 115.97 2cqo n LEU 98 Ca 0.21 0.30 -0.28 0.00 -0.03 0.00 0.00 56.01 56.21 2cqo n LEU 98 Cb 0.27 0.21 -0.12 0.00 -2.33 0.00 0.00 43.42 41.45 2cqo n LEU 98 CO 0.71 0.43 -0.09 0.47 -1.33 0.00 0.00 177.39 177.58 2cqo n ASP 99 N -2.98 2.27 0.00 -1.43 8.00 -1.24 -4.92 116.55 116.24 2cqo n ASP 99 Ca -0.22 -3.03 0.08 0.00 0.71 0.00 0.00 54.79 52.33 2cqo n ASP 99 Cb 1.08 -0.71 0.43 0.00 -0.02 0.00 0.00 41.12 41.89 2cqo n ASP 99 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2cqo n PRO 100 N 2.13 0.38 0.03 -0.24 -0.04 -1.26 -2.31 135.00 133.69 2cqo n PRO 100 Ca 0.22 0.06 -0.04 0.00 -0.04 0.00 0.00 63.50 63.70 2cqo n PRO 100 Cb 0.38 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.24 2cqo n PRO 100 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 2cqo h ASN 101 N 0.00 0.00 -6.23 3.54 7.08 -1.99 -3.48 115.58 114.50 2cqo h ASN 101 Ca 0.00 0.00 -0.46 0.00 -3.08 0.00 0.00 56.30 52.76 2cqo h ASN 101 Cb 0.05 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.29 2cqo h ASN 101 CO 0.00 0.78 -0.77 0.59 -2.08 0.00 0.00 177.43 175.95 2cqo n ASN 102 N -3.05 -4.01 -0.06 6.14 3.02 -0.98 -4.87 115.26 111.46 2cqo n ASN 102 Ca -0.10 -0.78 -0.01 0.00 -0.03 0.00 0.00 54.58 53.66 2cqo n ASN 102 Cb 0.92 -3.99 -0.14 0.00 -0.61 0.00 0.00 39.78 35.96 2cqo n ASN 102 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2cqo n VAL 103 N -4.61 0.72 -0.05 2.41 3.14 -1.26 -4.51 118.33 114.17 2cqo n VAL 103 Ca -0.04 -0.62 -0.13 0.00 -2.96 0.00 0.00 64.34 60.59 2cqo n VAL 103 Cb 0.56 -0.29 -0.07 0.00 -1.06 0.00 0.00 33.84 32.98 2cqo n VAL 103 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 2cqo h ILE 104 N 0.00 1.35 -0.43 1.55 5.03 -1.89 -2.97 117.51 120.14 2cqo h ILE 104 Ca -0.28 -1.31 0.13 0.00 -0.12 0.00 0.00 64.86 63.27 2cqo h ILE 104 Cb 1.59 1.89 -0.02 0.00 -3.03 0.00 0.00 36.82 37.25 2cqo h ILE 104 CO 0.02 0.38 0.50 0.16 -0.68 0.00 0.00 178.15 178.53 2cqo h ILE 105 N -0.03 0.31 0.65 -0.67 -0.00 -1.99 -2.03 117.51 113.76 2cqo h ILE 105 Ca 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 64.86 64.85 2cqo h ILE 105 Cb 0.68 0.59 0.01 0.00 -0.00 0.00 0.00 36.82 38.10 2cqo h ILE 105 CO 0.04 0.00 -0.31 -0.08 -0.00 0.00 0.00 178.15 177.79 2cqo h GLU 106 N 0.00 -0.85 -4.62 0.16 4.81 -1.75 -3.43 114.58 108.90 2cqo h GLU 106 Ca 0.21 0.06 -0.61 0.00 -0.13 0.00 0.00 59.36 58.88 2cqo h GLU 106 Cb 1.21 0.19 -0.36 0.00 0.63 0.00 0.00 28.75 30.42 2cqo h GLU 106 CO -0.00 -0.56 -0.82 -1.12 -0.73 0.00 0.00 179.01 175.77 2cqo s SER 107 N -4.22 3.11 0.47 1.04 0.01 -0.76 -5.11 113.70 108.23 2cqo s SER 107 Ca -0.13 -0.73 -0.21 0.00 1.31 0.00 0.00 55.95 56.20 2cqo s SER 107 Cb 0.01 -1.22 -0.11 0.00 0.21 0.00 0.00 66.02 64.91 2cqo s SER 107 CO 0.38 -0.11 0.53 0.61 0.41 0.00 0.00 173.24 175.07 2cqo n GLY 108 N 4.72 -1.50 0.00 3.44 0.00 -1.25 -4.77 105.19 105.82 2cqo n GLY 108 Ca -0.16 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 0.43 0.38 -1.56 1.61 -0.04 -1.26 -4.79 135.00 129.78 2cqo n PRO 109 Ca 0.11 0.05 -0.47 0.00 -0.04 0.00 0.00 63.50 63.15 2cqo n PRO 109 Cb 0.42 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 2cqo n PRO 109 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2cqo n SER 110 N -1.11 2.87 -3.95 3.54 3.41 -1.26 -4.93 113.62 112.18 2cqo n SER 110 Ca 0.10 0.47 -0.30 0.00 -0.26 0.00 0.00 58.87 58.87 2cqo n SER 110 Cb 0.08 -1.40 -0.16 0.00 -0.26 0.00 0.00 64.21 62.47 2cqo n SER 110 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cqo s SER 111 N 6.94 3.74 0.00 4.04 0.15 -1.26 -5.22 113.70 122.09 2cqo s SER 111 Ca 1.02 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 56.57 2cqo s SER 111 Cb -0.62 -1.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 2cqo s SER 111 CO 0.45 -0.22 0.31 0.61 1.20 0.00 0.00 173.24 175.59