#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 -0.96 -0.10 1.61 3.41 -1.26 -4.98 113.62 111.34 2cqo n SER -5 Ca 0.00 0.51 -0.16 0.00 -0.26 0.00 0.00 58.87 58.96 2cqo n SER -5 Cb 0.00 -1.28 -0.06 0.00 -0.26 0.00 0.00 64.21 62.61 2cqo n SER -5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2cqo n SER -4 N -1.27 1.90 0.00 4.04 2.88 -1.26 -5.07 113.62 114.83 2cqo n SER -4 Ca 0.10 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 2cqo n SER -4 Cb 0.51 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 2cqo n SER -4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqo n GLY -3 N 1.43 0.73 3.50 0.46 0.00 -1.26 -5.19 105.19 104.87 2cqo n GLY -3 Ca -0.27 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.42 -0.04 1.61 0.01 -1.26 -5.17 113.70 108.43 2cqo s SER -2 Ca 0.00 0.13 0.03 0.00 1.31 0.00 0.00 55.95 57.42 2cqo s SER -2 Cb 0.00 0.42 0.01 0.00 0.21 0.00 0.00 66.02 66.65 2cqo s SER -2 CO 0.00 -0.63 -0.11 -0.55 0.41 0.00 0.00 173.24 172.36 2cqo s SER -1 N -2.18 1.49 0.00 2.44 0.15 -1.26 -5.07 113.70 109.28 2cqo s SER -1 Ca 0.02 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.43 2cqo s SER -1 Cb -0.01 -0.50 0.00 0.00 -1.71 0.00 0.00 66.02 63.80 2cqo s SER -1 CO -0.06 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.05 2cqo n GLY 0 N 3.45 0.50 3.13 9.45 0.00 -1.26 -5.18 105.19 115.29 2cqo n GLY 0 Ca -0.20 0.48 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 2cqo n GLY 0 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2cqo s MET 1 N 2.72 0.65 0.03 1.61 0.00 -1.26 -5.17 119.30 117.88 2cqo s MET 1 Ca 0.00 -0.87 -0.00 0.00 0.00 0.00 0.00 55.69 54.82 2cqo s MET 1 Cb 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 34.83 35.06 2cqo s MET 1 CO 0.00 -0.17 -0.03 0.54 0.00 0.00 0.00 175.02 175.36 2cqo s ASN 2 N -2.41 0.32 0.00 -1.18 4.22 -1.26 -5.16 114.94 109.47 2cqo s ASN 2 Ca -0.01 -0.60 -0.03 0.00 -2.14 0.00 0.00 52.86 50.08 2cqo s ASN 2 Cb 0.02 0.12 -0.04 0.00 1.28 0.00 0.00 41.25 42.62 2cqo s ASN 2 CO -0.07 -0.36 0.20 -0.55 -2.04 0.00 0.00 177.10 174.28 2cqo s SER 3 N -1.76 6.38 0.07 3.54 0.15 -1.26 -5.11 113.70 115.72 2cqo s SER 3 Ca -0.11 0.36 0.03 0.00 0.70 0.00 0.00 55.95 56.93 2cqo s SER 3 Cb -0.06 -2.01 -0.03 0.00 -1.71 0.00 0.00 66.02 62.21 2cqo s SER 3 CO -0.03 0.25 -0.10 -0.83 1.20 0.00 0.00 173.24 173.73 2cqo s GLY 4 N -2.00 0.72 0.22 9.45 0.00 -1.26 -5.14 107.32 109.30 2cqo s GLY 4 Ca 0.29 -1.02 -0.23 0.00 0.00 0.00 0.00 44.72 43.76 2cqo s GLY 4 CO 0.20 -1.08 0.77 0.50 0.00 0.00 0.00 173.10 173.49 2cqo s ARG 5 N -2.28 4.41 0.93 2.90 3.00 -1.26 -5.06 118.95 121.59 2cqo s ARG 5 Ca -0.01 1.04 -0.12 0.00 0.00 0.00 0.00 55.73 56.64 2cqo s ARG 5 Cb -0.06 -3.00 0.15 0.00 0.00 0.00 0.00 34.95 32.04 2cqo s ARG 5 CO 0.00 0.44 1.09 -1.25 0.00 0.00 0.00 175.30 175.58 2cqo s PRO 6 N -1.69 1.01 -0.23 3.54 0.04 -1.26 -5.08 135.00 131.32 2cqo s PRO 6 Ca 0.41 0.73 -0.19 0.00 0.04 0.00 0.00 61.00 61.99 2cqo s PRO 6 Cb -0.19 -1.79 0.06 0.00 0.04 0.00 0.00 34.50 32.62 2cqo s PRO 6 CO 0.23 -2.39 0.61 -1.21 0.04 0.00 0.00 177.00 174.28 2cqo s GLU 7 N -4.94 0.68 0.64 4.56 2.02 -1.26 -5.01 118.70 115.39 2cqo s GLU 7 Ca 0.64 0.92 0.20 0.00 0.02 0.00 0.00 54.97 56.75 2cqo s GLU 7 Cb -0.18 0.28 1.11 0.00 0.10 0.00 0.00 34.13 35.43 2cqo s GLU 7 CO 0.57 -0.10 1.61 1.79 0.02 0.00 0.00 175.26 179.15 2cqo h THR 8 N 4.45 0.00 -2.62 3.63 1.35 -2.08 -2.84 112.91 114.80 2cqo h THR 8 Ca -0.29 0.00 -0.60 0.00 -0.55 0.00 0.00 66.41 64.96 2cqo h THR 8 Cb 1.18 0.45 -0.40 0.00 -1.73 0.00 0.00 68.15 67.65 2cqo h THR 8 CO 0.14 0.00 -0.79 0.80 -0.25 0.00 0.00 175.52 175.42 2cqo n MET 9 N -2.71 1.07 -0.04 4.72 0.00 -1.26 -4.87 117.12 114.03 2cqo n MET 9 Ca -0.01 -3.83 -0.05 0.00 -0.00 0.00 0.00 57.70 53.80 2cqo n MET 9 Cb 0.55 -1.94 -0.05 0.00 0.00 0.00 0.00 33.22 31.78 2cqo n MET 9 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2cqo n GLU 10 N 2.23 1.53 -0.28 2.12 0.28 -1.07 -4.64 120.64 120.80 2cqo n GLU 10 Ca 0.25 0.03 0.18 0.00 -0.16 0.00 0.00 57.16 57.46 2cqo n GLU 10 Cb 0.42 -1.20 0.35 0.00 1.43 0.00 0.00 31.44 32.44 2cqo n GLU 10 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2cqo n ASN 11 N -2.53 0.06 -4.53 -1.84 3.02 -1.26 -4.46 115.26 103.71 2cqo n ASN 11 Ca -0.15 1.40 -0.41 0.00 -0.03 0.00 0.00 54.58 55.39 2cqo n ASN 11 Cb 0.72 -0.58 0.01 0.00 -0.61 0.00 0.00 39.78 39.32 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 -5.06 1.40 -4.64 3.41 4.77 -1.26 -4.87 117.00 110.74 2cqo n LEU 12 Ca 0.25 0.96 -0.29 0.00 -0.03 0.00 0.00 56.01 56.89 2cqo n LEU 12 Cb 0.82 -1.24 0.21 0.00 -2.33 0.00 0.00 43.42 40.88 2cqo n LEU 12 CO -0.03 -2.19 0.63 -2.16 -1.33 0.00 0.00 177.39 172.30 2cqo s PRO 13 N -1.85 -0.37 0.85 3.23 0.04 -1.26 -5.06 135.00 130.58 2cqo s PRO 13 Ca 0.64 0.24 -0.10 0.00 0.04 0.00 0.00 61.00 61.83 2cqo s PRO 13 Cb -0.57 -1.67 0.16 0.00 0.04 0.00 0.00 34.50 32.46 2cqo s PRO 13 CO 0.57 -3.21 1.18 0.00 0.04 0.00 0.00 177.00 175.58 2cqo s ALA 14 N -2.98 2.85 0.41 8.56 0.00 -1.26 -4.99 121.76 124.35 2cqo s ALA 14 Ca 0.68 -1.38 -0.26 0.00 0.00 0.00 0.00 51.96 51.00 2cqo s ALA 14 Cb -0.15 -2.48 -0.09 0.00 0.00 0.00 0.00 23.12 20.41 2cqo s ALA 14 CO 0.57 -1.99 1.26 -1.17 0.00 0.00 0.00 175.76 174.43 2cqo s LEU 15 N -5.56 4.20 -1.86 0.00 2.96 -1.26 -2.57 118.68 114.59 2cqo s LEU 15 Ca 0.70 2.56 0.00 0.00 -0.22 0.00 0.00 54.13 57.17 2cqo s LEU 15 Cb -0.05 -3.94 0.00 0.00 0.50 0.00 0.00 46.19 42.70 2cqo s LEU 15 CO 0.49 -0.81 0.00 -1.22 -1.32 0.00 0.00 176.35 173.49 2cqo n TYR 16 N 0.10 -0.64 -3.35 5.38 4.01 -0.87 -4.97 117.16 116.82 2cqo n TYR 16 Ca 0.04 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.43 2cqo n TYR 16 Cb 0.44 -3.71 -0.06 0.00 -0.31 0.00 0.00 39.34 35.71 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 -2.92 4.85 -0.15 -0.72 2.01 -1.06 -4.77 115.64 112.88 2cqo s THR 17 Ca 0.00 0.81 -0.04 0.00 0.31 0.00 0.00 61.69 62.77 2cqo s THR 17 Cb 0.00 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 2cqo s THR 17 CO 0.00 0.19 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.45 2cqo s ILE 18 N -1.53 3.92 0.12 1.82 1.01 -1.26 -1.62 121.20 123.66 2cqo s ILE 18 Ca 0.40 -0.35 -0.13 0.00 0.00 0.00 0.00 60.65 60.56 2cqo s ILE 18 Cb -0.14 -2.71 0.02 0.00 0.01 0.00 0.00 42.46 39.63 2cqo s ILE 18 CO 0.19 0.50 0.34 0.72 0.00 0.00 0.00 174.94 176.69 2cqo s PHE 19 N 0.27 -0.05 -0.24 3.97 -0.12 -0.88 -5.02 117.98 115.92 2cqo s PHE 19 Ca -0.03 -0.30 -0.10 0.00 -0.05 0.00 0.00 56.93 56.44 2cqo s PHE 19 Cb -0.14 0.15 -0.05 0.00 -0.63 0.00 0.00 43.02 42.35 2cqo s PHE 19 CO 0.03 -0.67 0.16 -1.14 -0.05 0.00 0.00 175.22 173.54 2cqo s GLN 20 N -3.84 4.07 0.17 1.99 0.74 -1.26 -1.73 119.66 119.80 2cqo s GLN 20 Ca 0.05 -0.27 0.02 0.00 0.05 0.00 0.00 55.36 55.21 2cqo s GLN 20 Cb 0.03 -3.53 -0.05 0.00 1.10 0.00 0.00 33.01 30.56 2cqo s GLN 20 CO -0.10 0.07 -0.01 0.20 -0.55 0.00 0.00 175.29 174.90 2cqo s GLY 21 N 1.02 1.22 -0.06 2.59 0.00 -0.31 -4.28 107.32 107.51 2cqo s GLY 21 Ca 0.07 -1.59 -0.01 0.00 0.00 0.00 0.00 44.72 43.20 2cqo s GLY 21 CO 0.04 -1.55 -0.01 1.85 0.00 0.00 0.00 173.10 173.44 2cqo s GLU 22 N -3.89 2.90 0.15 2.90 2.12 -1.17 -0.78 118.70 120.92 2cqo s GLU 22 Ca 0.23 -0.48 -0.31 0.00 0.36 0.00 0.00 54.97 54.77 2cqo s GLU 22 Cb 0.06 -2.74 -0.09 0.00 0.26 0.00 0.00 34.13 31.62 2cqo s GLU 22 CO 0.04 0.68 1.43 0.08 -0.54 0.00 0.00 175.26 176.95 2cqo s VAL 23 N -0.94 3.06 -0.04 3.70 1.01 -0.76 -1.19 120.40 125.24 2cqo s VAL 23 Ca 0.15 0.78 0.07 0.00 0.00 0.00 0.00 61.98 62.98 2cqo s VAL 23 Cb -0.11 -3.50 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 2cqo s VAL 23 CO 0.05 0.07 0.08 0.00 0.00 0.00 0.00 175.10 175.30 2cqo n ALA 24 N 3.67 2.02 -3.18 5.51 0.00 0.02 -2.27 120.51 126.29 2cqo n ALA 24 Ca 0.11 -0.32 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 2cqo n ALA 24 Cb 0.41 -0.05 -0.11 0.00 0.00 0.00 0.00 19.45 19.71 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 -2.31 0.37 -0.14 0.00 1.75 -1.22 -4.92 119.30 112.82 2cqo s MET 25 Ca -0.03 0.32 0.02 0.00 -1.25 0.00 0.00 55.69 54.76 2cqo s MET 25 Cb 0.03 0.18 0.01 0.00 2.84 0.00 0.00 34.83 37.89 2cqo s MET 25 CO 0.28 -0.05 -0.21 0.08 -0.65 0.00 0.00 175.02 174.47 2cqo s VAL 26 N -0.02 2.02 0.20 10.11 1.01 -1.26 -0.20 120.40 132.27 2cqo s VAL 26 Ca -0.02 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.11 2cqo s VAL 26 Cb -0.02 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 2cqo s VAL 26 CO 0.01 0.54 -0.18 0.42 0.00 0.00 0.00 175.10 175.89 2cqo s THR 27 N 0.91 1.98 -1.94 3.92 -4.23 0.18 -5.00 115.64 111.46 2cqo s THR 27 Ca -0.05 -2.12 0.17 0.00 -1.18 0.00 0.00 61.69 58.52 2cqo s THR 27 Cb -0.15 -2.02 0.47 0.00 1.34 0.00 0.00 72.50 72.14 2cqo s THR 27 CO -0.04 -0.40 1.45 0.47 -0.54 0.00 0.00 174.62 175.56 2cqo n ASP 28 N -0.10 0.00 -0.06 3.99 8.00 -1.26 -1.92 116.55 125.20 2cqo n ASP 28 Ca -0.10 -0.48 0.02 0.00 0.71 0.00 0.00 54.79 54.94 2cqo n ASP 28 Cb 0.59 -0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.68 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 -1.03 0.00 -2.02 1.24 0.18 -1.26 -4.82 117.16 109.46 2cqo n TYR 29 Ca 0.12 -0.42 0.00 0.00 1.88 0.00 0.00 57.90 59.49 2cqo n TYR 29 Cb 0.07 -0.05 0.00 0.00 -0.38 0.00 0.00 39.34 38.97 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 -0.49 -0.18 3.18 -7.48 0.00 -0.81 -0.72 105.19 98.68 2cqo n GLY 30 Ca 0.03 -1.56 -0.12 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 -1.00 -0.59 -0.15 4.61 0.00 -0.61 0.48 121.76 124.50 2cqo s ALA 31 Ca 0.00 0.19 -0.15 0.00 0.00 0.00 0.00 51.96 52.00 2cqo s ALA 31 Cb 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 2cqo s ALA 31 CO 0.00 -0.23 0.36 -0.06 0.00 0.00 0.00 175.76 175.84 2cqo s PHE 32 N -1.19 3.47 -0.08 0.00 0.40 0.73 0.08 117.98 121.39 2cqo s PHE 32 Ca -0.13 0.69 0.04 0.00 -0.60 0.00 0.00 56.93 56.93 2cqo s PHE 32 Cb -0.06 -2.43 -0.01 0.00 0.51 0.00 0.00 43.02 41.03 2cqo s PHE 32 CO 0.03 0.19 -0.20 0.42 0.70 0.00 0.00 175.22 176.36 2cqo s ILE 33 N 0.61 2.52 -0.04 0.64 -1.09 0.28 -0.80 121.20 123.32 2cqo s ILE 33 Ca 0.20 -0.89 -0.20 0.00 -2.23 0.00 0.00 60.65 57.52 2cqo s ILE 33 Cb -0.14 -1.97 -0.05 0.00 -1.58 0.00 0.00 42.46 38.72 2cqo s ILE 33 CO 0.06 0.56 0.58 -0.54 -1.23 0.00 0.00 174.94 174.38 2cqo s LYS 34 N -0.13 4.33 0.01 2.79 1.02 -0.33 -1.69 119.74 125.73 2cqo s LYS 34 Ca -0.03 0.68 -0.18 0.00 0.02 0.00 0.00 55.97 56.46 2cqo s LYS 34 Cb -0.14 -3.38 -0.06 0.00 -0.52 0.00 0.00 37.83 33.73 2cqo s LYS 34 CO 0.04 0.27 0.51 0.42 -0.92 0.00 0.00 175.35 175.67 2cqo s ILE 35 N 0.17 4.92 -0.07 2.17 1.01 -1.26 -3.07 121.20 125.07 2cqo s ILE 35 Ca 0.31 1.07 -0.30 0.00 0.00 0.00 0.00 60.65 61.73 2cqo s ILE 35 Cb -0.17 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 2cqo s ILE 35 CO 0.16 0.50 1.50 -2.16 0.00 0.00 0.00 174.94 174.94 2cqo s PRO 36 N -0.68 4.22 0.00 2.79 0.04 -1.26 -2.81 135.00 137.29 2cqo s PRO 36 Ca 0.27 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.33 2cqo s PRO 36 Cb -0.18 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.53 2cqo s PRO 36 CO 0.16 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 176.86 2cqo n GLY 37 N 3.89 0.53 3.27 0.56 0.00 -1.26 -5.03 105.19 107.15 2cqo n GLY 37 Ca 0.15 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.15 0.57 -2.47 0.00 3.00 -1.26 -4.78 116.66 111.57 2cqo n ARG 39 Ca -0.08 0.16 -0.35 0.00 -0.00 0.00 0.00 57.85 57.58 2cqo n ARG 39 Cb 0.63 -1.45 -0.03 0.00 0.00 0.00 0.00 32.46 31.61 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 -2.47 3.76 0.31 -0.14 2.47 -1.26 -4.98 119.74 117.44 2cqo s LYS 40 Ca -0.33 1.46 0.10 0.00 -1.56 0.00 0.00 55.97 55.64 2cqo s LYS 40 Cb 0.10 -2.16 -0.05 0.00 -1.46 0.00 0.00 37.83 34.25 2cqo s LYS 40 CO 0.52 -0.48 -0.03 -0.65 0.16 0.00 0.00 175.35 174.87 2cqo s GLN 41 N -3.10 2.05 0.29 4.03 -0.21 -1.26 -4.33 119.66 117.14 2cqo s GLN 41 Ca 0.67 -1.69 0.10 0.00 0.02 0.00 0.00 55.36 54.46 2cqo s GLN 41 Cb -0.19 -1.95 -0.05 0.00 1.00 0.00 0.00 33.01 31.82 2cqo s GLN 41 CO 0.23 0.22 -0.02 0.20 -2.12 0.00 0.00 175.29 173.80 2cqo s GLY 42 N -3.67 1.82 -0.05 3.09 0.00 -0.68 -4.64 107.32 103.20 2cqo s GLY 42 Ca 0.33 -1.79 0.05 0.00 0.00 0.00 0.00 44.72 43.32 2cqo s GLY 42 CO 0.19 -1.81 -0.19 -2.27 0.00 0.00 0.00 173.10 169.01 2cqo s LEU 43 N -3.67 2.46 -0.39 0.66 2.96 -0.09 -0.56 118.68 120.06 2cqo s LEU 43 Ca 0.32 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.88 2cqo s LEU 43 Cb -0.04 -1.47 0.09 0.00 0.50 0.00 0.00 46.19 45.26 2cqo s LEU 43 CO 0.19 0.32 0.17 -0.69 -1.32 0.00 0.00 176.35 175.02 2cqo s VAL 44 N -0.57 3.41 0.65 1.68 1.01 0.11 -1.54 120.40 125.15 2cqo s VAL 44 Ca 0.08 -1.77 -0.17 0.00 0.00 0.00 0.00 61.98 60.12 2cqo s VAL 44 Cb -0.11 -3.20 -0.08 0.00 0.00 0.00 0.00 36.38 32.99 2cqo s VAL 44 CO 0.01 -0.52 0.32 1.57 0.00 0.00 0.00 175.10 176.47 2cqo n HIS 45 N 4.66 -1.45 0.15 5.22 -0.00 -1.26 -1.57 115.22 120.97 2cqo n HIS 45 Ca -0.06 0.37 0.09 0.00 0.46 0.00 0.00 57.72 58.58 2cqo n HIS 45 Cb 0.42 -1.85 0.60 0.00 -0.12 0.00 0.00 29.99 29.04 2cqo n HIS 45 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 2cqo h ARG 46 N -0.16 0.13 -0.55 1.57 -0.00 -1.27 -0.52 114.38 113.59 2cqo h ARG 46 Ca -0.45 -0.01 -0.04 0.00 -0.00 0.00 0.00 59.98 59.49 2cqo h ARG 46 Cb 1.38 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.97 31.30 2cqo h ARG 46 CO 0.42 0.09 0.18 1.79 -0.00 0.00 0.00 179.97 182.45 2cqo h THR 47 N 0.13 1.23 0.00 0.08 1.35 -1.88 -2.76 112.91 111.07 2cqo h THR 47 Ca 0.09 -0.77 -0.12 0.00 -0.55 0.00 0.00 66.41 65.06 2cqo h THR 47 Cb 0.18 0.70 -0.02 0.00 -1.73 0.00 0.00 68.15 67.29 2cqo h THR 47 CO -0.01 0.29 -0.56 0.45 -0.25 0.00 0.00 175.52 175.44 2cqo h HIS 48 N 0.76 0.00 -0.60 4.73 3.86 -1.67 -3.22 115.15 119.01 2cqo h HIS 48 Ca 0.18 0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.56 2cqo h HIS 48 Cb 0.26 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 2cqo h HIS 48 CO 0.01 0.56 0.43 0.52 0.86 0.00 0.00 177.93 180.31 2cqo h MET 49 N 0.00 0.03 -5.26 2.45 2.86 -0.82 -0.50 114.93 113.69 2cqo h MET 49 Ca -0.01 -0.00 -0.65 0.00 -2.06 0.00 0.00 59.70 56.99 2cqo h MET 49 Cb 1.35 -0.01 -0.13 0.00 0.06 0.00 0.00 31.60 32.87 2cqo h MET 49 CO 0.07 0.02 -0.53 0.45 1.06 0.00 0.00 176.91 177.98 2cqo s SER 50 N -6.12 3.82 -0.18 1.22 0.15 -1.22 -4.67 113.70 106.71 2cqo s SER 50 Ca -0.05 -1.60 -0.12 0.00 0.70 0.00 0.00 55.95 54.88 2cqo s SER 50 Cb 0.20 0.34 -0.21 0.00 -1.71 0.00 0.00 66.02 64.63 2cqo s SER 50 CO 0.74 -0.78 0.18 -1.54 1.20 0.00 0.00 173.24 173.04 2cqo n SER 51 N -1.20 2.01 0.00 5.45 3.41 -1.26 -4.45 113.62 117.58 2cqo n SER 51 Ca -0.14 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2cqo n SER 51 Cb 0.67 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 2cqo n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cqo s ARG 53 N -0.62 4.06 -0.70 0.00 3.52 -1.26 -5.03 118.95 118.92 2cqo s ARG 53 Ca 0.00 0.57 0.04 0.00 -0.13 0.00 0.00 55.73 56.22 2cqo s ARG 53 Cb 0.00 -3.19 0.27 0.00 -1.56 0.00 0.00 34.95 30.47 2cqo s ARG 53 CO 0.00 0.64 0.92 0.28 -0.81 0.00 0.00 175.30 176.33 2cqo n VAL 54 N 1.64 3.03 -0.15 7.11 0.31 -1.26 -4.81 118.33 124.21 2cqo n VAL 54 Ca -0.11 -5.41 -0.10 0.00 -0.01 0.00 0.00 64.34 58.70 2cqo n VAL 54 Cb 0.51 -1.97 -0.06 0.00 -0.91 0.00 0.00 33.84 31.42 2cqo n VAL 54 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2cqo h ASP 55 N 4.16 -1.54 -2.19 4.52 3.32 -1.97 -3.42 116.42 119.30 2cqo h ASP 55 Ca 0.20 0.23 0.03 0.00 0.02 0.00 0.00 57.03 57.51 2cqo h ASP 55 Cb 0.62 0.67 -0.22 0.00 0.22 0.00 0.00 39.33 40.61 2cqo h ASP 55 CO 0.92 -0.37 -0.18 -0.54 -1.72 0.00 0.00 179.24 177.34 2cqo s LYS 56 N -5.81 0.52 0.48 3.56 1.02 -1.26 -5.03 119.74 113.23 2cqo s LYS 56 Ca -0.14 1.34 0.27 0.00 0.02 0.00 0.00 55.97 57.45 2cqo s LYS 56 Cb 0.11 0.70 1.13 0.00 -0.52 0.00 0.00 37.83 39.25 2cqo s LYS 56 CO 0.65 -0.21 1.91 -1.00 -0.92 0.00 0.00 175.35 175.78 2cqo h PRO 57 N 7.98 0.00 0.00 -1.68 0.13 -1.86 -2.49 132.00 134.08 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 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2cqo h PRO 57 CO 0.11 0.16 0.00 -1.13 -0.23 0.00 0.00 178.00 176.91 2cqo n SER 58 N -3.38 0.00 -0.01 1.44 3.41 -1.26 -2.85 113.62 110.97 2cqo n SER 58 Ca -0.00 -0.16 0.04 0.00 -0.26 0.00 0.00 58.87 58.49 2cqo n SER 58 Cb 0.36 -0.25 -0.09 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.25 0.63 -0.01 4.33 -0.58 -0.95 -4.54 120.64 118.28 2cqo n GLU 59 Ca 0.13 -0.09 -0.13 0.00 -0.42 0.00 0.00 57.16 56.64 2cqo n GLU 59 Cb 0.18 -1.29 -0.01 0.00 -0.57 0.00 0.00 31.44 29.76 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 0.00 1.31 -4.55 -3.67 2.04 -1.42 -3.47 117.51 107.74 2cqo h ILE 60 Ca -0.04 -1.92 -0.37 0.00 1.00 0.00 0.00 64.86 63.52 2cqo h ILE 60 Cb 0.72 1.89 -0.14 0.00 -0.74 0.00 0.00 36.82 38.55 2cqo h ILE 60 CO 0.00 0.60 -0.55 0.68 0.00 0.00 0.00 178.15 178.88 2cqo s VAL 61 N -3.85 0.08 -0.27 1.67 -7.23 -1.21 -5.14 120.40 104.45 2cqo s VAL 61 Ca -0.08 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.83 2cqo s VAL 61 Cb 0.10 -2.50 0.08 0.00 0.56 0.00 0.00 36.38 34.62 2cqo s VAL 61 CO 0.87 0.00 0.79 -1.81 -0.31 0.00 0.00 175.10 174.64 2cqo s ASP 62 N -3.30 -0.68 -0.15 4.85 1.11 -1.26 -4.72 116.67 112.53 2cqo s ASP 62 Ca 0.39 1.30 -0.41 0.00 0.18 0.00 0.00 52.55 54.01 2cqo s ASP 62 Cb 0.05 1.32 -0.18 0.00 1.07 0.00 0.00 42.92 45.17 2cqo s ASP 62 CO 0.20 -0.23 1.41 0.52 1.18 0.00 0.00 175.17 178.24 2cqo n VAL 63 N 2.55 0.07 0.00 -1.27 0.31 -1.26 -0.68 118.33 118.04 2cqo n VAL 63 Ca -0.14 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 2cqo n VAL 63 Cb 0.55 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 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 2.92 2.74 3.71 2.92 0.00 -0.96 -5.00 105.19 111.51 2cqo n GLY 64 Ca 0.23 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 -0.79 7.26 -0.13 1.61 1.01 0.14 -4.82 116.67 120.96 2cqo s ASP 65 Ca 0.00 1.53 -0.15 0.00 0.71 0.00 0.00 52.55 54.64 2cqo s ASP 65 Cb 0.00 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 2cqo s ASP 65 CO 0.00 -0.25 0.35 -0.75 0.21 0.00 0.00 175.17 174.73 2cqo s LYS 66 N 1.08 4.19 0.18 8.23 2.20 -1.26 -1.83 119.74 132.53 2cqo s LYS 66 Ca 0.48 0.22 -0.02 0.00 -0.36 0.00 0.00 55.97 56.29 2cqo s LYS 66 Cb -0.20 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 2cqo s LYS 66 CO 0.24 0.31 0.13 0.14 -0.36 0.00 0.00 175.35 175.81 2cqo s VAL 67 N 0.22 0.04 -0.04 4.02 -7.23 0.04 -4.98 120.40 112.47 2cqo s VAL 67 Ca 0.20 -1.91 -0.10 0.00 -1.81 0.00 0.00 61.98 58.36 2cqo s VAL 67 Cb -0.14 -2.30 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 2cqo s VAL 67 CO 0.07 -0.17 0.28 0.26 -0.31 0.00 0.00 175.10 175.22 2cqo s TRP 68 N -4.10 3.64 0.05 2.82 0.52 -1.26 -1.17 118.94 119.44 2cqo s TRP 68 Ca 0.32 0.72 -0.01 0.00 0.02 0.00 0.00 56.10 57.15 2cqo s TRP 68 Cb 0.07 -2.09 -0.04 0.00 -1.15 0.00 0.00 33.47 30.26 2cqo s TRP 68 CO 0.08 0.67 -0.02 0.14 0.02 0.00 0.00 176.95 177.84 2cqo s VAL 69 N -1.12 0.21 -0.06 4.03 -7.23 -0.71 -4.67 120.40 110.85 2cqo s VAL 69 Ca 0.22 -1.74 0.02 0.00 -1.81 0.00 0.00 61.98 58.67 2cqo s VAL 69 Cb -0.14 -1.45 0.02 0.00 0.56 0.00 0.00 36.38 35.37 2cqo s VAL 69 CO 0.11 -0.96 -0.10 -0.75 -0.31 0.00 0.00 175.10 173.09 2cqo s LYS 70 N -3.79 1.48 0.27 4.82 2.20 -0.49 -2.07 119.74 122.16 2cqo s LYS 70 Ca 0.06 -0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 55.05 2cqo s LYS 70 Cb 0.07 -1.29 -0.11 0.00 -1.51 0.00 0.00 37.83 35.00 2cqo s LYS 70 CO -0.10 -0.03 1.49 -1.17 -0.36 0.00 0.00 175.35 175.19 2cqo s LEU 71 N 0.82 4.37 -0.04 5.43 2.96 -0.64 -0.24 118.68 131.34 2cqo s LEU 71 Ca -0.12 2.79 0.02 0.00 -0.22 0.00 0.00 54.13 56.60 2cqo s LEU 71 Cb -0.15 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 2cqo s LEU 71 CO 0.02 -0.78 -0.01 2.30 -1.32 0.00 0.00 176.35 176.56 2cqo n ILE 72 N 2.10 0.28 -3.65 6.68 -5.35 -0.90 -2.05 119.36 116.46 2cqo n ILE 72 Ca 0.07 -0.15 -0.05 0.00 -0.27 0.00 0.00 62.75 62.35 2cqo n ILE 72 Cb 0.39 -0.82 -0.07 0.00 -1.74 0.00 0.00 39.64 37.41 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 -3.84 -0.58 -0.20 3.28 0.00 -1.24 -4.83 107.32 99.91 2cqo s GLY 73 Ca -0.04 2.10 -0.03 0.00 0.00 0.00 0.00 44.72 46.75 2cqo s GLY 73 CO 0.14 2.61 -0.06 1.09 0.00 0.00 0.00 173.10 176.89 2cqo s ARG 74 N 2.36 3.42 -0.09 2.90 1.70 -1.26 -2.10 118.95 125.88 2cqo s ARG 74 Ca -0.06 -0.62 0.00 0.00 -0.47 0.00 0.00 55.73 54.58 2cqo s ARG 74 Cb -0.10 -2.94 0.02 0.00 -0.57 0.00 0.00 34.95 31.37 2cqo s ARG 74 CO -0.17 -0.07 -0.07 -1.21 -1.08 0.00 0.00 175.30 172.69 2cqo s GLU 75 N 1.14 1.36 -0.25 3.89 2.02 -0.61 -5.06 118.70 121.20 2cqo s GLU 75 Ca 0.02 -0.23 0.00 0.00 0.02 0.00 0.00 54.97 54.78 2cqo s GLU 75 Cb -0.15 -1.36 0.04 0.00 0.10 0.00 0.00 34.13 32.76 2cqo s GLU 75 CO -0.01 -0.17 -0.09 -1.64 0.02 0.00 0.00 175.26 173.37 2cqo s MET 76 N 1.36 2.65 0.02 1.61 -1.94 -1.26 -0.94 119.30 120.78 2cqo s MET 76 Ca -0.02 -1.09 0.07 0.00 -1.71 0.00 0.00 55.69 52.94 2cqo s MET 76 Cb -0.14 -2.90 -0.03 0.00 2.01 0.00 0.00 34.83 33.77 2cqo s MET 76 CO -0.04 -0.44 -0.21 0.21 -0.01 0.00 0.00 175.02 174.54 2cqo s LYS 77 N 1.25 2.08 0.27 2.03 2.47 -0.26 -4.99 119.74 122.58 2cqo s LYS 77 Ca -0.02 -0.96 0.18 0.00 -1.56 0.00 0.00 55.97 53.61 2cqo s LYS 77 Cb -0.17 -2.14 0.97 0.00 -1.46 0.00 0.00 37.83 35.02 2cqo s LYS 77 CO -0.06 0.55 1.54 0.09 0.16 0.00 0.00 175.35 177.64 2cqo n ASN 78 N 1.87 0.46 -0.07 1.43 3.02 -1.26 -0.96 115.26 119.76 2cqo n ASN 78 Ca -0.16 0.72 -0.09 0.00 -0.03 0.00 0.00 54.58 55.01 2cqo n ASN 78 Cb 0.52 -0.77 -0.15 0.00 -0.61 0.00 0.00 39.78 38.76 2cqo n ASN 78 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2cqo n ASP 79 N -2.13 0.36 -3.60 6.41 9.92 -1.26 -5.03 116.55 121.22 2cqo n ASP 79 Ca -0.01 0.17 -0.05 0.00 -0.53 0.00 0.00 54.79 54.37 2cqo n ASP 79 Cb 0.03 0.57 -0.03 0.00 -0.64 0.00 0.00 41.12 41.05 2cqo n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cqo s ARG 80 N -2.54 0.29 -0.16 -1.24 1.70 -0.13 -5.16 118.95 111.72 2cqo s ARG 80 Ca -0.08 -0.06 -0.03 0.00 -0.47 0.00 0.00 55.73 55.09 2cqo s ARG 80 Cb 0.07 0.14 -0.02 0.00 -0.57 0.00 0.00 34.95 34.56 2cqo s ARG 80 CO 0.83 -0.12 -0.05 0.42 -1.08 0.00 0.00 175.30 175.30 2cqo s ILE 81 N -1.98 3.71 -0.12 4.99 1.01 -1.26 -1.11 121.20 126.44 2cqo s ILE 81 Ca 0.08 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.33 2cqo s ILE 81 Cb -0.01 -2.62 -0.00 0.00 0.01 0.00 0.00 42.46 39.84 2cqo s ILE 81 CO -0.05 0.49 -0.20 -0.54 0.00 0.00 0.00 174.94 174.64 2cqo s LYS 82 N 0.47 3.15 -0.11 2.79 1.02 -0.12 -5.00 119.74 121.94 2cqo s LYS 82 Ca -0.04 -0.82 -0.01 0.00 0.02 0.00 0.00 55.97 55.12 2cqo s LYS 82 Cb -0.15 -2.43 0.03 0.00 -0.52 0.00 0.00 37.83 34.77 2cqo s LYS 82 CO 0.03 0.15 -0.05 0.08 -0.92 0.00 0.00 175.35 174.65 2cqo s VAL 83 N 0.44 0.84 -0.16 3.17 1.01 -1.26 -1.57 120.40 122.87 2cqo s VAL 83 Ca -0.14 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 2cqo s VAL 83 Cb -0.17 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 2cqo s VAL 83 CO 0.06 0.28 0.10 -0.44 0.00 0.00 0.00 175.10 175.11 2cqo s SER 84 N 1.78 6.01 0.19 3.32 0.01 -0.89 -0.91 113.70 123.20 2cqo s SER 84 Ca 0.04 0.26 0.08 0.00 1.31 0.00 0.00 55.95 57.64 2cqo s SER 84 Cb -0.13 -1.98 -0.04 0.00 0.21 0.00 0.00 66.02 64.07 2cqo s SER 84 CO -0.07 0.27 -0.15 -0.76 0.41 0.00 0.00 173.24 172.94 2cqo s LEU 85 N -0.21 2.52 0.08 2.44 1.43 -0.59 -2.12 118.68 122.23 2cqo s LEU 85 Ca 0.09 -0.97 0.08 0.00 -1.03 0.00 0.00 54.13 52.30 2cqo s LEU 85 Cb -0.12 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 2cqo s LEU 85 CO 0.01 -0.15 -0.18 -0.55 0.23 0.00 0.00 176.35 175.71 2cqo s SER 86 N -3.11 3.86 0.00 2.29 0.15 0.67 -4.35 113.70 113.20 2cqo s SER 86 Ca 0.20 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2cqo s SER 86 Cb -0.02 -0.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.71 2cqo s SER 86 CO 0.06 0.21 0.00 0.23 1.20 0.00 0.00 173.24 174.95 2cqo n MET 87 N 1.14 1.72 0.17 5.44 2.81 -1.22 -1.40 117.12 125.77 2cqo n MET 87 Ca -0.16 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 55.81 2cqo n MET 87 Cb 0.52 -0.89 0.08 0.00 -0.71 0.00 0.00 33.22 32.23 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 -0.63 0.03 2.10 -1.30 -3.20 116.57 113.57 2cqo h LYS 88 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2cqo h LYS 88 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 2cqo h LYS 88 CO 0.00 0.17 0.00 1.33 -2.00 0.00 0.00 179.45 178.95 2cqo n VAL 89 N -3.06 0.84 -4.50 0.07 0.24 -1.26 -4.87 118.33 105.79 2cqo n VAL 89 Ca 0.02 -0.86 -0.24 0.00 -2.04 0.00 0.00 64.34 61.21 2cqo n VAL 89 Cb 0.62 0.48 -0.17 0.00 -1.47 0.00 0.00 33.84 33.30 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 -1.16 1.09 0.29 3.34 1.01 -1.21 -1.14 120.40 122.62 2cqo s VAL 90 Ca 0.44 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 2cqo s VAL 90 Cb 0.23 -1.01 -0.10 0.00 0.00 0.00 0.00 36.38 35.50 2cqo s VAL 90 CO 0.30 0.35 1.34 0.21 0.00 0.00 0.00 175.10 177.29 2cqo s ASN 91 N 0.77 6.78 -0.74 3.32 2.47 -1.15 -4.89 114.94 121.49 2cqo s ASN 91 Ca -0.13 2.62 -0.02 0.00 0.42 0.00 0.00 52.86 55.75 2cqo s ASN 91 Cb -0.15 -2.64 0.33 0.00 -1.45 0.00 0.00 41.25 37.34 2cqo s ASN 91 CO 0.02 -0.56 2.13 0.00 -3.72 0.00 0.00 177.10 174.97 2cqo n GLN 92 N 1.51 2.66 0.00 0.43 1.13 -1.26 -3.26 117.38 118.58 2cqo n GLN 92 Ca 0.03 -3.25 0.00 0.00 -1.94 0.00 0.00 57.00 51.83 2cqo n GLN 92 Cb 0.42 -2.23 0.00 0.00 0.11 0.00 0.00 30.24 28.53 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 -0.41 0.25 0.01 1.08 0.00 -1.26 -4.98 105.19 99.88 2cqo n GLY 93 Ca 0.54 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.35 0.07 -0.79 2.61 -2.24 -1.26 -5.04 114.28 106.27 2cqo n THR 94 Ca 0.00 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2cqo n THR 94 Cb 0.00 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 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 3.07 1.18 3.83 3.38 0.00 -1.20 -5.06 105.19 110.39 2cqo n GLY 95 Ca -0.02 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.04 3.91 -0.05 1.61 2.47 -1.26 -4.83 119.74 119.54 2cqo s LYS 96 Ca 0.00 0.35 -0.29 0.00 -1.56 0.00 0.00 55.97 54.47 2cqo s LYS 96 Cb 0.00 -3.24 -0.07 0.00 -1.46 0.00 0.00 37.83 33.06 2cqo s LYS 96 CO 0.00 0.66 2.02 0.34 0.16 0.00 0.00 175.35 178.52 2cqo s ASP 97 N -0.93 6.16 0.01 1.43 -1.08 -1.26 -2.91 116.67 118.09 2cqo s ASP 97 Ca 0.23 2.39 -0.09 0.00 -0.52 0.00 0.00 52.55 54.56 2cqo s ASP 97 Cb -0.16 -2.52 -0.31 0.00 -1.46 0.00 0.00 42.92 38.47 2cqo s ASP 97 CO 0.12 -1.32 0.90 -0.07 0.52 0.00 0.00 175.17 175.32 2cqo h LEU 98 N 11.95 0.58 -7.03 -1.34 3.38 -1.50 -3.40 115.31 117.96 2cqo h LEU 98 Ca -0.46 -0.72 -0.64 0.00 0.09 0.00 0.00 57.88 56.15 2cqo h LEU 98 Cb 1.23 -0.19 -0.40 0.00 0.09 0.00 0.00 40.66 41.39 2cqo h LEU 98 CO 0.95 1.59 -0.45 -0.67 0.09 0.00 0.00 178.44 179.95 2cqo n ASP 99 N -3.57 3.42 0.05 -0.43 2.03 -1.22 -4.89 116.55 111.94 2cqo n ASP 99 Ca -0.17 -3.23 0.09 0.00 0.52 0.00 0.00 54.79 52.00 2cqo n ASP 99 Cb 1.07 -0.82 0.38 0.00 -0.72 0.00 0.00 41.12 41.03 2cqo n ASP 99 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2cqo n PRO 100 N 1.89 0.08 -0.02 -0.67 -0.04 -1.26 -2.92 135.00 132.06 2cqo n PRO 100 Ca 0.22 0.32 -0.16 0.00 -0.04 0.00 0.00 63.50 63.84 2cqo n PRO 100 Cb 0.36 -1.65 -0.10 0.00 -0.04 0.00 0.00 33.50 32.07 2cqo n PRO 100 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2cqo h ASN 101 N 0.00 0.54 -3.17 3.54 4.21 -1.98 -3.48 115.58 115.25 2cqo h ASN 101 Ca 0.00 -0.69 -0.16 0.00 1.21 0.00 0.00 56.30 56.66 2cqo h ASN 101 Cb 0.29 -0.16 0.06 0.00 -1.12 0.00 0.00 38.32 37.39 2cqo h ASN 101 CO 0.00 1.15 -0.30 0.59 -1.29 0.00 0.00 177.43 177.58 2cqo n ASN 102 N -4.27 -3.47 -0.09 5.81 3.02 -1.15 -4.96 115.26 110.16 2cqo n ASN 102 Ca -0.09 -0.24 -0.09 0.00 -0.03 0.00 0.00 54.58 54.13 2cqo n ASN 102 Cb 0.61 -2.44 -0.13 0.00 -0.61 0.00 0.00 39.78 37.21 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 -3.30 1.21 0.41 2.41 0.31 -1.26 -4.42 118.33 113.69 2cqo n VAL 103 Ca -0.02 -0.71 -0.17 0.00 -0.01 0.00 0.00 64.34 63.43 2cqo n VAL 103 Cb 0.54 -0.62 -0.08 0.00 -0.91 0.00 0.00 33.84 32.77 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 0.03 -1.38 2.52 5.03 -1.96 -2.90 117.51 118.84 2cqo h ILE 104 Ca -0.48 -0.22 0.40 0.00 -0.12 0.00 0.00 64.86 64.45 2cqo h ILE 104 Cb 2.04 0.03 -0.07 0.00 -3.03 0.00 0.00 36.82 35.79 2cqo h ILE 104 CO 0.01 0.00 0.97 0.16 -0.68 0.00 0.00 178.15 178.62 2cqo h ILE 105 N -1.27 0.28 -3.46 -0.67 -0.00 -1.99 -3.38 117.51 107.03 2cqo h ILE 105 Ca -0.11 -0.02 -0.54 0.00 -0.00 0.00 0.00 64.86 64.20 2cqo h ILE 105 Cb 0.82 0.22 -0.02 0.00 -0.00 0.00 0.00 36.82 37.83 2cqo h ILE 105 CO 0.18 0.01 0.33 -0.70 -0.00 0.00 0.00 178.15 177.96 2cqo s GLU 106 N -5.04 4.59 -0.09 0.16 2.56 -1.10 -5.05 118.70 114.73 2cqo s GLU 106 Ca -0.06 1.35 -0.03 0.00 0.00 0.00 0.00 54.97 56.23 2cqo s GLU 106 Cb 0.25 -3.43 -0.03 0.00 2.00 0.00 0.00 34.13 32.92 2cqo s GLU 106 CO 0.83 0.07 0.04 0.45 -0.56 0.00 0.00 175.26 176.08 2cqo s SER 107 N 0.59 5.52 0.00 -1.70 0.15 -1.26 -4.95 113.70 112.06 2cqo s SER 107 Ca 0.48 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.35 2cqo s SER 107 Cb -0.21 -1.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 2cqo s SER 107 CO 0.27 0.38 0.00 0.61 1.20 0.00 0.00 173.24 175.71 2cqo n GLY 108 N 2.12 1.19 3.56 9.45 0.00 -1.26 -5.11 105.19 115.14 2cqo n GLY 108 Ca -0.19 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.60 2.76 0.15 1.61 0.04 -1.26 -4.98 135.00 131.72 2cqo s PRO 109 Ca 0.00 0.72 -0.19 0.00 0.04 0.00 0.00 61.00 61.57 2cqo s PRO 109 Cb 0.00 -4.35 -0.07 0.00 0.04 0.00 0.00 34.50 30.12 2cqo s PRO 109 CO 0.00 -2.57 0.65 -1.54 0.04 0.00 0.00 177.00 173.58 2cqo s SER 110 N 7.65 7.07 -0.20 6.66 1.04 -1.26 -5.07 113.70 129.60 2cqo s SER 110 Ca 0.68 1.34 -0.06 0.00 0.48 0.00 0.00 55.95 58.39 2cqo s SER 110 Cb -0.14 -2.39 -0.03 0.00 0.10 0.00 0.00 66.02 63.56 2cqo s SER 110 CO 0.23 0.16 0.03 -0.94 0.98 0.00 0.00 173.24 173.70 2cqo s SER 111 N -1.40 5.13 0.00 7.02 1.04 -1.26 -5.34 113.70 118.89 2cqo s SER 111 Ca 0.36 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.68 2cqo s SER 111 Cb -0.18 -1.89 0.00 0.00 0.10 0.00 0.00 66.02 64.05 2cqo s SER 111 CO 0.21 0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.12