#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqv n SER 2 N 0.00 1.85 -4.67 1.61 3.41 -1.26 -4.82 113.62 109.75 2cqv n SER 2 Ca 0.00 0.11 -0.48 0.00 -0.26 0.00 0.00 58.87 58.24 2cqv n SER 2 Cb 0.00 -1.29 -0.05 0.00 -0.26 0.00 0.00 64.21 62.61 2cqv n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2cqv n SER 3 N 11.70 3.45 -3.54 4.04 2.88 -1.26 -4.93 113.62 125.97 2cqv n SER 3 Ca 0.45 0.92 -0.10 0.00 -1.33 0.00 0.00 58.87 58.81 2cqv n SER 3 Cb 0.28 -1.38 -0.04 0.00 -0.75 0.00 0.00 64.21 62.32 2cqv n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cqv s GLY 4 N 4.39 -0.37 -1.29 0.46 0.00 -1.26 -4.99 107.32 104.25 2cqv s GLY 4 Ca 0.94 1.53 -0.11 0.00 0.00 0.00 0.00 44.72 47.08 2cqv s GLY 4 CO 0.51 0.70 0.58 1.44 0.00 0.00 0.00 173.10 176.33 2cqv n SER 5 N 0.28 -2.51 -4.50 1.64 7.64 -1.26 -4.96 113.62 109.95 2cqv n SER 5 Ca -0.10 -1.03 -0.29 0.00 1.01 0.00 0.00 58.87 58.46 2cqv n SER 5 Cb 0.60 -3.09 0.14 0.00 -1.01 0.00 0.00 64.21 60.85 2cqv n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cqv s SER 6 N -3.97 3.79 1.19 6.43 0.15 -1.26 -4.87 113.70 115.16 2cqv s SER 6 Ca 0.22 0.51 -0.18 0.00 0.70 0.00 0.00 55.95 57.20 2cqv s SER 6 Cb -0.09 -0.77 0.24 0.00 -1.71 0.00 0.00 66.02 63.69 2cqv s SER 6 CO 0.88 -2.33 0.51 0.61 1.20 0.00 0.00 173.24 174.11 2cqv n GLY 7 N -3.55 -2.89 3.76 9.45 0.00 -1.26 -3.93 105.19 106.77 2cqv n GLY 7 Ca 0.12 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 2cqv n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqv s PRO 8 N -4.04 4.45 0.01 1.61 0.04 -1.26 -3.93 135.00 131.89 2cqv s PRO 8 Ca 0.52 2.06 -0.03 0.00 0.04 0.00 0.00 61.00 63.59 2cqv s PRO 8 Cb -0.11 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 2cqv s PRO 8 CO 0.49 -0.07 0.04 1.14 0.04 0.00 0.00 177.00 178.65 2cqv s GLN 9 N -1.41 0.39 -0.63 4.56 -2.07 -1.26 -4.26 119.66 114.97 2cqv s GLN 9 Ca 0.49 -0.54 -0.11 0.00 -1.82 0.00 0.00 55.36 53.38 2cqv s GLN 9 Cb -0.37 0.15 0.16 0.00 -1.09 0.00 0.00 33.01 31.87 2cqv s GLN 9 CO 0.47 -0.08 0.54 0.42 -1.32 0.00 0.00 175.29 175.32 2cqv s ILE 10 N -1.49 4.82 -0.07 3.63 1.01 -1.26 -2.79 121.20 125.05 2cqv s ILE 10 Ca -0.15 -2.16 0.16 0.00 0.00 0.00 0.00 60.65 58.50 2cqv s ILE 10 Cb -0.09 -4.07 0.07 0.00 0.01 0.00 0.00 42.46 38.38 2cqv s ILE 10 CO -0.00 -0.90 1.50 0.16 0.00 0.00 0.00 174.94 175.70 2cqv h ILE 11 N 5.47 0.91 -3.29 2.92 -2.65 -1.90 -3.44 117.51 115.54 2cqv h ILE 11 Ca -0.09 -2.12 -0.58 0.00 1.03 0.00 0.00 64.86 63.10 2cqv h ILE 11 Cb 1.05 2.33 -0.34 0.00 -2.05 0.00 0.00 36.82 37.81 2cqv h ILE 11 CO 0.84 0.49 -0.84 -1.10 0.03 0.00 0.00 178.15 177.57 2cqv s GLN 12 N -3.09 2.21 -0.27 0.16 -0.21 -1.25 -5.02 119.66 112.19 2cqv s GLN 12 Ca 0.03 -0.56 -0.25 0.00 0.02 0.00 0.00 55.36 54.60 2cqv s GLN 12 Cb 0.08 -1.86 0.08 0.00 1.00 0.00 0.00 33.01 32.31 2cqv s GLN 12 CO 0.73 -0.04 0.78 0.12 -2.12 0.00 0.00 175.29 174.77 2cqv s PHE 13 N 0.92 -0.74 0.16 0.91 5.36 -1.26 -1.67 117.98 121.67 2cqv s PHE 13 Ca -0.08 1.78 -0.30 0.00 -0.96 0.00 0.00 56.93 57.36 2cqv s PHE 13 Cb -0.15 0.30 -0.08 0.00 -0.34 0.00 0.00 43.02 42.75 2cqv s PHE 13 CO -0.00 -0.35 1.33 -1.25 -1.46 0.00 0.00 175.22 173.48 2cqv s PRO 14 N 0.40 4.37 0.59 10.12 0.04 -1.26 -5.04 135.00 144.22 2cqv s PRO 14 Ca 0.00 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2cqv s PRO 14 Cb -0.05 -3.22 0.12 0.00 0.04 0.00 0.00 34.50 31.39 2cqv s PRO 14 CO -0.01 -0.31 0.81 0.39 0.04 0.00 0.00 177.00 177.92 2cqv n GLU 15 N 3.15 0.04 -1.38 4.56 1.02 -1.26 -4.65 120.64 122.12 2cqv n GLU 15 Ca 0.08 -2.24 -0.58 0.00 -0.02 0.00 0.00 57.16 54.40 2cqv n GLU 15 Cb 0.43 -0.53 -0.10 0.00 -0.02 0.00 0.00 31.44 31.22 2cqv n GLU 15 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2cqv n ASP 16 N -2.91 1.32 -3.99 1.62 5.75 -1.26 -4.65 116.55 112.43 2cqv n ASP 16 Ca 0.14 0.67 -0.22 0.00 -0.01 0.00 0.00 54.79 55.37 2cqv n ASP 16 Cb 0.48 -1.02 -0.09 0.00 -1.03 0.00 0.00 41.12 39.47 2cqv n ASP 16 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cqv s GLN 17 N 5.63 1.75 0.37 0.11 -2.07 -0.67 -4.98 119.66 119.80 2cqv s GLN 17 Ca 1.14 -2.03 0.05 0.00 -1.82 0.00 0.00 55.36 52.70 2cqv s GLN 17 Cb -1.28 -0.30 -0.07 0.00 -1.09 0.00 0.00 33.01 30.27 2cqv s GLN 17 CO 0.62 -0.47 0.03 0.21 -1.32 0.00 0.00 175.29 174.37 2cqv s LYS 18 N -3.73 1.80 -0.28 9.60 2.20 -1.26 -2.62 119.74 125.44 2cqv s LYS 18 Ca 0.31 -2.01 -0.22 0.00 -0.36 0.00 0.00 55.97 53.70 2cqv s LYS 18 Cb 0.04 -1.24 0.08 0.00 -1.51 0.00 0.00 37.83 35.20 2cqv s LYS 18 CO 0.17 -0.12 0.76 0.54 -0.36 0.00 0.00 175.35 176.35 2cqv s VAL 19 N -3.02 0.00 0.21 4.02 0.11 0.08 -4.87 120.40 116.94 2cqv s VAL 19 Ca 0.36 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.11 2cqv s VAL 19 Cb 0.09 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.86 2cqv s VAL 19 CO 0.17 0.00 1.23 -0.13 -3.33 0.00 0.00 175.10 173.04 2cqv s ARG 20 N 0.80 4.47 -0.27 1.54 1.81 -1.26 -1.04 118.95 125.00 2cqv s ARG 20 Ca -0.03 1.95 -0.33 0.00 -1.72 0.00 0.00 55.73 55.60 2cqv s ARG 20 Cb -0.05 -3.20 -0.09 0.00 -0.45 0.00 0.00 34.95 31.15 2cqv s ARG 20 CO -0.07 -0.11 2.16 0.00 -0.68 0.00 0.00 175.30 176.60 2cqv n ALA 21 N 2.22 1.30 0.00 2.13 0.00 0.86 -0.49 120.51 126.52 2cqv n ALA 21 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2cqv n ALA 21 Cb 0.44 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.22 2cqv n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cqv n GLY 22 N 5.98 1.98 1.91 0.00 0.00 0.84 -4.85 105.19 111.06 2cqv n GLY 22 Ca 0.35 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.21 2cqv n GLY 22 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cqv n GLU 23 N -0.61 -1.31 -4.40 1.61 -0.58 0.35 -3.81 120.64 111.90 2cqv n GLU 23 Ca 0.00 -0.99 -0.29 0.00 -0.42 0.00 0.00 57.16 55.45 2cqv n GLU 23 Cb 0.00 -0.77 -0.17 0.00 -0.57 0.00 0.00 31.44 29.94 2cqv n GLU 23 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2cqv s SER 24 N -3.30 2.56 0.08 1.62 1.04 -1.26 -0.78 113.70 113.66 2cqv s SER 24 Ca 0.38 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.39 2cqv s SER 24 Cb -0.02 -1.15 -0.04 0.00 0.10 0.00 0.00 66.02 64.91 2cqv s SER 24 CO 0.28 0.01 0.02 0.54 0.98 0.00 0.00 173.24 175.07 2cqv s VAL 25 N 1.06 4.18 -0.29 5.02 0.11 -0.99 -4.94 120.40 124.55 2cqv s VAL 25 Ca -0.05 -0.90 -0.01 0.00 -2.93 0.00 0.00 61.98 58.10 2cqv s VAL 25 Cb -0.15 -2.99 0.09 0.00 -1.53 0.00 0.00 36.38 31.81 2cqv s VAL 25 CO -0.03 0.14 0.08 -1.61 -3.33 0.00 0.00 175.10 170.35 2cqv s GLU 26 N -2.28 0.75 -0.44 1.54 8.01 -1.26 -1.03 118.70 123.99 2cqv s GLU 26 Ca 0.26 -0.97 -0.13 0.00 0.01 0.00 0.00 54.97 54.15 2cqv s GLU 26 Cb -0.12 -2.03 0.07 0.00 -4.31 0.00 0.00 34.13 27.74 2cqv s GLU 26 CO 0.19 -0.91 0.32 -0.51 0.01 0.00 0.00 175.26 174.36 2cqv s LEU 27 N 1.64 5.35 -0.10 1.80 1.43 -0.92 -4.89 118.68 122.99 2cqv s LEU 27 Ca 0.07 -1.35 0.01 0.00 -1.03 0.00 0.00 54.13 51.83 2cqv s LEU 27 Cb -0.17 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.93 2cqv s LEU 27 CO -0.22 -0.58 -0.13 0.12 0.23 0.00 0.00 176.35 175.78 2cqv s PHE 28 N 1.55 2.79 -0.63 0.29 5.36 -1.26 -0.77 117.98 125.31 2cqv s PHE 28 Ca 0.03 -0.46 -0.00 0.00 -0.96 0.00 0.00 56.93 55.54 2cqv s PHE 28 Cb -0.23 -1.78 0.16 0.00 -0.34 0.00 0.00 43.02 40.83 2cqv s PHE 28 CO 0.05 -0.07 0.42 0.20 -1.46 0.00 0.00 175.22 174.37 2cqv s GLY 29 N -0.01 2.58 0.28 13.12 0.00 -0.92 -4.32 107.32 118.04 2cqv s GLY 29 Ca -0.03 -3.38 -0.29 0.00 0.00 0.00 0.00 44.72 41.02 2cqv s GLY 29 CO 0.04 1.08 1.04 1.17 0.00 0.00 0.00 173.10 176.43 2cqv n LYS 30 N 3.13 1.36 -4.32 2.90 4.81 -0.67 -3.96 118.16 121.42 2cqv n LYS 30 Ca 0.09 0.48 -0.18 0.00 -0.87 0.00 0.00 58.31 57.83 2cqv n LYS 30 Cb 0.36 -1.87 -0.14 0.00 0.02 0.00 0.00 35.03 33.40 2cqv n LYS 30 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2cqv s VAL 31 N -0.93 0.88 0.00 3.15 -7.23 0.37 -3.09 120.40 113.56 2cqv s VAL 31 Ca 0.60 -0.78 0.00 0.00 -1.81 0.00 0.00 61.98 60.00 2cqv s VAL 31 Cb -0.71 -0.80 0.00 0.00 0.56 0.00 0.00 36.38 35.43 2cqv s VAL 31 CO 0.59 0.02 0.00 1.07 -0.31 0.00 0.00 175.10 176.47 2cqv n THR 32 N 2.20 0.00 0.00 5.32 5.66 -1.12 -4.72 114.28 121.62 2cqv n THR 32 Ca -0.17 0.08 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 2cqv n THR 32 Cb 0.55 -0.90 0.00 0.00 -1.55 0.00 0.00 70.33 68.43 2cqv n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2cqv n GLY 33 N 3.04 1.48 2.68 1.09 0.00 -1.25 -4.31 105.19 107.92 2cqv n GLY 33 Ca 0.00 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 2cqv n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cqv s THR 34 N 0.00 -0.18 0.61 2.61 2.01 -1.25 -4.73 115.64 114.71 2cqv s THR 34 Ca 0.00 -0.04 -0.16 0.00 0.31 0.00 0.00 61.69 61.80 2cqv s THR 34 Cb 0.00 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 2cqv s THR 34 CO 0.00 -0.17 1.10 -1.10 -0.69 0.00 0.00 174.62 173.76 2cqv s GLN 35 N 2.21 3.08 0.53 4.92 -1.52 -1.26 -4.26 119.66 123.37 2cqv s GLN 35 Ca 0.04 1.37 -0.20 0.00 -1.95 0.00 0.00 55.36 54.62 2cqv s GLN 35 Cb -0.15 -1.99 -0.06 0.00 -0.22 0.00 0.00 33.01 30.59 2cqv s GLN 35 CO -0.09 -1.02 1.13 -1.25 -0.25 0.00 0.00 175.29 173.81 2cqv s PRO 36 N -3.92 3.41 -0.05 2.91 0.04 -1.26 -5.12 135.00 131.01 2cqv s PRO 36 Ca 0.67 1.63 0.01 0.00 0.04 0.00 0.00 61.00 63.35 2cqv s PRO 36 Cb -0.20 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.31 2cqv s PRO 36 CO 0.37 -0.81 -0.07 0.42 0.04 0.00 0.00 177.00 176.95 2cqv s ILE 37 N -1.74 0.73 0.31 0.56 1.01 -1.26 -4.61 121.20 116.19 2cqv s ILE 37 Ca 0.72 -0.23 -0.28 0.00 0.00 0.00 0.00 60.65 60.86 2cqv s ILE 37 Cb -0.24 -0.72 -0.09 0.00 0.01 0.00 0.00 42.46 41.41 2cqv s ILE 37 CO 0.28 0.27 1.04 -0.89 0.00 0.00 0.00 174.94 175.64 2cqv s THR 38 N 0.88 3.71 -0.04 2.92 2.01 0.33 -4.93 115.64 120.53 2cqv s THR 38 Ca -0.11 1.58 0.00 0.00 0.31 0.00 0.00 61.69 63.47 2cqv s THR 38 Cb -0.15 -3.95 0.03 0.00 0.01 0.00 0.00 72.50 68.43 2cqv s THR 38 CO 0.01 0.27 -0.01 0.00 -0.69 0.00 0.00 174.62 174.20 2cqv s THR 40 N 1.10 0.81 -0.19 0.00 2.01 0.12 -5.00 115.64 114.49 2cqv s THR 40 Ca -0.09 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.16 2cqv s THR 40 Cb -0.14 -0.74 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 2cqv s THR 40 CO -0.02 0.01 -0.08 0.26 -0.69 0.00 0.00 174.62 174.10 2cqv s TRP 41 N -0.66 2.90 0.24 4.92 0.52 -1.26 -0.83 118.94 124.77 2cqv s TRP 41 Ca 0.00 -0.89 0.03 0.00 0.02 0.00 0.00 56.10 55.25 2cqv s TRP 41 Cb -0.06 -2.00 -0.05 0.00 -1.15 0.00 0.00 33.47 30.20 2cqv s TRP 41 CO 0.00 -0.45 0.03 -1.64 0.02 0.00 0.00 176.95 174.92 2cqv s MET 42 N 1.08 1.37 -0.16 4.98 -1.94 -0.63 -0.59 119.30 123.41 2cqv s MET 42 Ca 0.00 -1.71 -0.06 0.00 -1.71 0.00 0.00 55.69 52.21 2cqv s MET 42 Cb -0.15 -0.50 0.08 0.00 2.01 0.00 0.00 34.83 36.27 2cqv s MET 42 CO -0.01 -0.17 0.34 0.21 -0.01 0.00 0.00 175.02 175.38 2cqv s LYS 43 N -3.92 0.25 -1.24 2.03 2.20 -0.03 0.11 119.74 119.14 2cqv s LYS 43 Ca 0.32 0.88 -0.04 0.00 -0.36 0.00 0.00 55.97 56.77 2cqv s LYS 43 Cb 0.07 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 2cqv s LYS 43 CO 0.10 -0.26 1.05 1.19 -0.36 0.00 0.00 175.35 177.08 2cqv n PHE 44 N 5.27 -2.42 -3.14 4.03 3.72 -1.00 -2.14 117.46 121.79 2cqv n PHE 44 Ca -0.09 0.95 -0.22 0.00 -0.05 0.00 0.00 57.45 58.04 2cqv n PHE 44 Cb 0.50 -5.00 0.05 0.00 -0.94 0.00 0.00 39.48 34.09 2cqv n PHE 44 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2cqv n ARG 45 N -4.41 -5.51 -3.43 -1.08 5.12 -1.26 -4.98 116.66 101.10 2cqv n ARG 45 Ca -0.17 0.85 -0.16 0.00 -1.93 0.00 0.00 57.85 56.44 2cqv n ARG 45 Cb 0.62 -5.66 -0.11 0.00 -1.16 0.00 0.00 32.46 26.15 2cqv n ARG 45 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2cqv s LYS 46 N -5.82 0.27 0.14 5.56 2.20 -0.91 -5.13 119.74 116.05 2cqv s LYS 46 Ca 0.37 0.19 -0.35 0.00 -0.36 0.00 0.00 55.97 55.82 2cqv s LYS 46 Cb -0.16 -0.88 -0.15 0.00 -1.51 0.00 0.00 37.83 35.12 2cqv s LYS 46 CO 0.45 -0.76 1.38 0.94 -0.36 0.00 0.00 175.35 177.01 2cqv n GLN 47 N 5.33 1.52 -2.40 4.03 7.27 -1.26 -0.85 117.38 131.02 2cqv n GLN 47 Ca -0.04 0.55 -0.35 0.00 0.07 0.00 0.00 57.00 57.23 2cqv n GLN 47 Cb 0.49 -2.20 -0.02 0.00 2.41 0.00 0.00 30.24 30.92 2cqv n GLN 47 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2cqv s ILE 48 N 0.43 3.47 -0.21 1.69 1.01 0.25 -4.84 121.20 123.00 2cqv s ILE 48 Ca 0.79 0.96 -0.07 0.00 0.00 0.00 0.00 60.65 62.33 2cqv s ILE 48 Cb -0.83 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 2cqv s ILE 48 CO 0.45 -0.15 0.05 0.00 0.00 0.00 0.00 174.94 175.30 2cqv s GLN 49 N -3.10 3.80 0.23 2.79 -2.07 -1.26 -4.92 119.66 115.12 2cqv s GLN 49 Ca 0.68 -0.42 -0.32 0.00 -1.82 0.00 0.00 55.36 53.48 2cqv s GLN 49 Cb -0.21 -3.22 -0.12 0.00 -1.09 0.00 0.00 33.01 28.36 2cqv s GLN 49 CO 0.25 0.07 1.68 0.39 -1.32 0.00 0.00 175.29 176.36 2cqv n GLU 50 N 4.14 2.72 -3.62 9.60 1.02 -1.26 -4.60 120.64 128.64 2cqv n GLU 50 Ca -0.16 0.98 -0.00 0.00 -0.02 0.00 0.00 57.16 57.95 2cqv n GLU 50 Cb 0.52 -2.80 -0.01 0.00 -0.02 0.00 0.00 31.44 29.13 2cqv n GLU 50 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2cqv s SER 51 N 0.97 -0.09 0.63 1.62 0.15 0.14 -4.94 113.70 112.19 2cqv s SER 51 Ca 0.72 -0.11 0.28 0.00 0.70 0.00 0.00 55.95 57.55 2cqv s SER 51 Cb -0.51 0.17 1.51 0.00 -1.71 0.00 0.00 66.02 65.47 2cqv s SER 51 CO 0.37 -0.31 1.88 -0.08 1.20 0.00 0.00 173.24 176.30 2cqv h GLU 52 N 2.00 0.00 0.22 5.44 4.57 -1.97 0.33 114.58 125.17 2cqv h GLU 52 Ca -0.24 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.59 2cqv h GLU 52 Cb 1.19 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.81 2cqv h GLU 52 CO 0.27 0.00 -1.62 0.45 -1.18 0.00 0.00 179.01 176.93 2cqv h HIS 53 N 0.00 0.85 -3.02 0.92 3.86 -1.91 -3.37 115.15 112.49 2cqv h HIS 53 Ca 0.09 -0.62 -0.51 0.00 -1.16 0.00 0.00 60.37 58.17 2cqv h HIS 53 Cb 0.93 -0.03 -0.40 0.00 1.06 0.00 0.00 27.41 28.96 2cqv h HIS 53 CO 0.00 1.62 -0.76 -1.64 0.86 0.00 0.00 177.93 178.01 2cqv s MET 54 N -2.59 0.30 0.35 2.45 -1.94 0.11 -0.19 119.30 117.80 2cqv s MET 54 Ca -0.12 -0.42 0.06 0.00 -1.71 0.00 0.00 55.69 53.49 2cqv s MET 54 Cb 0.05 -1.67 -0.01 0.00 2.01 0.00 0.00 34.83 35.21 2cqv s MET 54 CO 0.90 -0.82 0.50 0.15 -0.01 0.00 0.00 175.02 175.74 2cqv s LYS 55 N 2.01 3.10 -0.02 2.03 1.02 0.02 0.26 119.74 128.15 2cqv s LYS 55 Ca 0.05 -0.94 -0.01 0.00 0.02 0.00 0.00 55.97 55.08 2cqv s LYS 55 Cb -0.16 -2.78 0.02 0.00 -0.52 0.00 0.00 37.83 34.38 2cqv s LYS 55 CO -0.20 0.00 0.05 0.08 -0.92 0.00 0.00 175.35 174.36 2cqv s VAL 56 N -2.24 -0.02 -0.62 3.17 1.01 -1.26 -2.02 120.40 118.42 2cqv s VAL 56 Ca 0.46 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.57 2cqv s VAL 56 Cb -0.10 -0.09 0.17 0.00 0.00 0.00 0.00 36.38 36.36 2cqv s VAL 56 CO 0.32 0.04 0.44 -0.70 0.00 0.00 0.00 175.10 175.20 2cqv s GLU 57 N 0.49 2.04 0.31 2.72 2.12 -0.56 -4.95 118.70 120.87 2cqv s GLU 57 Ca -0.04 -2.99 -0.27 0.00 0.36 0.00 0.00 54.97 52.03 2cqv s GLU 57 Cb -0.06 -2.91 -0.09 0.00 0.26 0.00 0.00 34.13 31.33 2cqv s GLU 57 CO -0.02 -1.30 1.00 -0.80 -0.54 0.00 0.00 175.26 173.60 2cqv s ASN 58 N -1.00 7.29 0.06 -1.70 -0.87 -1.26 -2.79 114.94 114.67 2cqv s ASN 58 Ca 0.26 2.00 -0.22 0.00 -1.57 0.00 0.00 52.86 53.33 2cqv s ASN 58 Cb -0.04 -2.60 0.08 0.00 -0.02 0.00 0.00 41.25 38.67 2cqv s ASN 58 CO -0.16 -0.11 1.04 -1.54 -2.57 0.00 0.00 177.10 173.76 2cqv n SER 59 N 0.82 -1.27 -0.20 -1.22 3.41 0.93 -4.99 113.62 111.11 2cqv n SER 59 Ca 0.01 -1.48 -0.02 0.00 -0.26 0.00 0.00 58.87 57.13 2cqv n SER 59 Cb 0.48 2.02 0.05 0.00 -0.26 0.00 0.00 64.21 66.50 2cqv n SER 59 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2cqv h GLU 60 N 0.00 -0.01 -1.00 4.33 4.81 -1.95 0.17 114.58 120.93 2cqv h GLU 60 Ca -0.21 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.20 2cqv h GLU 60 Cb 1.05 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.33 2cqv h GLU 60 CO 0.30 -0.01 0.62 -0.91 -0.73 0.00 0.00 179.01 178.27 2cqv h ASN 61 N -0.01 0.78 0.00 1.04 2.35 -1.96 -3.43 115.58 114.35 2cqv h ASN 61 Ca 0.28 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 2cqv h ASN 61 Cb 0.44 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.75 2cqv h ASN 61 CO -0.61 0.30 0.00 0.61 -1.65 0.00 0.00 177.43 176.08 2cqv n GLY 62 N -1.35 -0.18 2.87 2.83 0.00 0.58 -0.48 105.19 109.46 2cqv n GLY 62 Ca 0.22 -0.36 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 2cqv n GLY 62 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cqv s SER 63 N -4.00 0.30 0.06 1.61 0.15 -1.25 -0.05 113.70 110.52 2cqv s SER 63 Ca 0.00 0.29 0.04 0.00 0.70 0.00 0.00 55.95 56.98 2cqv s SER 63 Cb 0.00 0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.47 2cqv s SER 63 CO 0.00 -0.19 -0.00 -0.75 1.20 0.00 0.00 173.24 173.50 2cqv s LYS 64 N 1.67 2.61 -0.34 5.44 2.20 -1.12 -2.17 119.74 128.03 2cqv s LYS 64 Ca -0.04 -0.78 0.01 0.00 -0.36 0.00 0.00 55.97 54.81 2cqv s LYS 64 Cb -0.12 -2.57 0.10 0.00 -1.51 0.00 0.00 37.83 33.74 2cqv s LYS 64 CO -0.06 0.56 0.10 -1.17 -0.36 0.00 0.00 175.35 174.43 2cqv s LEU 65 N -2.08 3.15 -0.40 5.43 2.96 0.05 -1.49 118.68 126.30 2cqv s LEU 65 Ca 0.24 -1.95 -0.20 0.00 -0.22 0.00 0.00 54.13 52.00 2cqv s LEU 65 Cb -0.12 -1.15 0.01 0.00 0.50 0.00 0.00 46.19 45.44 2cqv s LEU 65 CO 0.16 -0.38 0.62 -0.89 -1.32 0.00 0.00 176.35 174.53 2cqv s THR 66 N 1.20 4.88 -0.25 3.68 2.01 -0.86 -2.16 115.64 124.14 2cqv s THR 66 Ca 0.11 0.28 -0.13 0.00 0.31 0.00 0.00 61.69 62.26 2cqv s THR 66 Cb -0.19 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 2cqv s THR 66 CO -0.16 -0.45 0.30 -0.63 -0.69 0.00 0.00 174.62 172.98 2cqv s ILE 67 N 2.71 5.24 0.25 1.82 1.01 -0.20 -0.80 121.20 131.23 2cqv s ILE 67 Ca 0.22 0.43 -0.05 0.00 0.00 0.00 0.00 60.65 61.25 2cqv s ILE 67 Cb -0.14 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 2cqv s ILE 67 CO 0.17 0.23 0.51 -0.76 0.00 0.00 0.00 174.94 175.09 2cqv s LEU 68 N 1.67 4.12 -1.41 2.97 2.01 0.73 -2.33 118.68 126.44 2cqv s LEU 68 Ca 0.12 0.69 -0.13 0.00 0.01 0.00 0.00 54.13 54.83 2cqv s LEU 68 Cb -0.15 -3.48 0.02 0.00 0.01 0.00 0.00 46.19 42.58 2cqv s LEU 68 CO 0.09 -0.13 0.31 0.00 1.01 0.00 0.00 176.35 177.63 2cqv n ALA 69 N -0.67 -2.23 -1.28 4.21 0.00 -1.17 -4.48 120.51 114.89 2cqv n ALA 69 Ca -0.02 -0.45 -0.24 0.00 0.00 0.00 0.00 53.44 52.73 2cqv n ALA 69 Cb 0.53 -1.62 -0.17 0.00 0.00 0.00 0.00 19.45 18.19 2cqv n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cqv n ALA 70 N -4.71 0.73 -1.81 0.00 0.00 0.04 -4.30 120.51 110.45 2cqv n ALA 70 Ca -0.24 -0.54 -0.32 0.00 0.00 0.00 0.00 53.44 52.34 2cqv n ALA 70 Cb 0.65 -2.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.09 2cqv n ALA 70 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2cqv s ARG 71 N 6.52 3.67 0.39 0.00 0.52 -1.26 -0.11 118.95 128.68 2cqv s ARG 71 Ca 1.13 0.90 0.19 0.00 -0.52 0.00 0.00 55.73 57.43 2cqv s ARG 71 Cb -0.84 -2.09 1.06 0.00 0.52 0.00 0.00 34.95 33.59 2cqv s ARG 71 CO 0.46 -0.51 1.54 0.37 0.02 0.00 0.00 175.30 177.18 2cqv h GLN 72 N 0.24 0.00 0.17 3.54 5.75 -1.94 0.14 115.11 123.01 2cqv h GLN 72 Ca -0.45 0.00 -0.33 0.00 -0.15 0.00 0.00 58.65 57.72 2cqv h GLN 72 Cb 1.19 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.75 2cqv h GLN 72 CO 0.61 0.00 -1.58 1.05 -2.65 0.00 0.00 178.83 176.26 2cqv h GLU 73 N 0.00 0.36 -1.13 1.69 4.11 -1.97 -3.28 114.58 114.37 2cqv h GLU 73 Ca 0.00 -0.62 0.33 0.00 0.07 0.00 0.00 59.36 59.14 2cqv h GLU 73 Cb 0.42 0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 2cqv h GLU 73 CO 0.00 1.26 0.98 0.45 0.07 0.00 0.00 179.01 181.77 2cqv h HIS 74 N 0.10 0.00 -1.91 2.06 3.86 -1.07 -3.39 115.15 114.80 2cqv h HIS 74 Ca -0.27 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.31 2cqv h HIS 74 Cb 2.08 0.00 0.01 0.00 1.06 0.00 0.00 27.41 30.56 2cqv h HIS 74 CO 0.09 0.00 1.17 0.00 0.86 0.00 0.00 177.93 180.05 2cqv n GLY 76 N 4.77 -1.16 3.45 0.00 0.00 -1.20 -5.00 105.19 106.05 2cqv n GLY 76 Ca 0.25 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 2cqv n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqv s TYR 78 N 0.62 2.88 -0.19 0.00 1.51 -0.61 -2.36 117.35 119.20 2cqv s TYR 78 Ca -0.03 -0.35 -0.05 0.00 -1.01 0.00 0.00 57.07 55.63 2cqv s TYR 78 Cb -0.14 -2.08 0.09 0.00 -0.11 0.00 0.00 41.96 39.71 2cqv s TYR 78 CO 0.02 -0.09 0.34 0.99 -1.11 0.00 0.00 175.55 175.70 2cqv s THR 79 N -2.32 -0.53 -0.44 -0.71 2.01 0.12 -2.60 115.64 111.16 2cqv s THR 79 Ca 0.47 0.11 -0.20 0.00 0.31 0.00 0.00 61.69 62.38 2cqv s THR 79 Cb -0.07 -0.64 0.02 0.00 0.01 0.00 0.00 72.50 71.83 2cqv s THR 79 CO 0.30 0.00 0.60 -0.22 -0.69 0.00 0.00 174.62 174.61 2cqv s LEU 80 N 2.50 4.60 -0.26 4.42 2.96 -1.23 -1.60 118.68 130.07 2cqv s LEU 80 Ca 0.04 -0.44 -0.10 0.00 -0.22 0.00 0.00 54.13 53.40 2cqv s LEU 80 Cb -0.13 -2.64 -0.05 0.00 0.50 0.00 0.00 46.19 43.87 2cqv s LEU 80 CO -0.12 -0.74 0.17 -0.22 -1.32 0.00 0.00 176.35 174.12 2cqv s LEU 81 N 2.66 4.00 -0.25 -0.68 2.96 -0.01 -1.34 118.68 126.00 2cqv s LEU 81 Ca 0.20 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.14 2cqv s LEU 81 Cb -0.15 -2.10 0.06 0.00 0.50 0.00 0.00 46.19 44.50 2cqv s LEU 81 CO 0.17 -0.01 -0.11 0.68 -1.32 0.00 0.00 176.35 175.77 2cqv s VAL 82 N 1.53 2.07 0.25 1.68 -7.23 0.69 0.13 120.40 119.51 2cqv s VAL 82 Ca 0.07 -1.54 0.10 0.00 -1.81 0.00 0.00 61.98 58.79 2cqv s VAL 82 Cb -0.15 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 2cqv s VAL 82 CO 0.08 -0.02 -0.05 -1.61 -0.31 0.00 0.00 175.10 173.20 2cqv s GLU 83 N 1.15 2.17 0.21 4.82 2.02 -0.32 -0.46 118.70 128.29 2cqv s GLU 83 Ca -0.08 -1.42 -0.11 0.00 0.02 0.00 0.00 54.97 53.38 2cqv s GLU 83 Cb -0.20 -2.12 0.04 0.00 0.10 0.00 0.00 34.13 31.96 2cqv s GLU 83 CO -0.06 0.38 0.58 0.27 0.02 0.00 0.00 175.26 176.45 2cqv n ASN 84 N -0.63 -1.37 -0.22 -0.19 6.94 0.59 0.12 115.26 120.51 2cqv n ASN 84 Ca -0.07 -1.87 0.05 0.00 -0.02 0.00 0.00 54.58 52.67 2cqv n ASN 84 Cb 0.58 2.26 0.31 0.00 -2.36 0.00 0.00 39.78 40.57 2cqv n ASN 84 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 2cqv h LYS 85 N 0.00 0.83 0.00 -3.83 3.64 -1.88 -3.27 116.57 112.06 2cqv h LYS 85 Ca -0.20 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2cqv h LYS 85 Cb 0.80 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2cqv h LYS 85 CO 0.26 0.55 0.00 1.28 -2.27 0.00 0.00 179.45 179.28 2cqv n LEU 86 N -4.48 0.91 0.00 5.20 4.77 -1.26 -5.06 117.00 117.08 2cqv n LEU 86 Ca 0.11 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 2cqv n LEU 86 Cb 0.20 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2cqv n LEU 86 CO 0.34 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 2cqv n GLY 87 N 1.04 4.86 3.58 -0.72 0.00 -1.23 -4.88 105.19 107.84 2cqv n GLY 87 Ca 0.00 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 2cqv n GLY 87 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqv s SER 88 N 1.35 0.26 0.04 1.61 1.04 -1.26 -0.30 113.70 116.45 2cqv s SER 88 Ca 0.00 -1.15 -0.27 0.00 0.48 0.00 0.00 55.95 55.01 2cqv s SER 88 Cb 0.00 0.65 0.08 0.00 0.10 0.00 0.00 66.02 66.85 2cqv s SER 88 CO 0.00 -1.27 0.70 -0.60 0.98 0.00 0.00 173.24 173.06 2cqv s ARG 89 N -3.47 1.08 -0.04 4.02 6.06 0.39 -4.63 118.95 122.38 2cqv s ARG 89 Ca 0.24 -0.16 -0.02 0.00 -2.50 0.00 0.00 55.73 53.30 2cqv s ARG 89 Cb -0.01 0.50 0.02 0.00 0.06 0.00 0.00 34.95 35.53 2cqv s ARG 89 CO 0.13 -0.42 0.08 1.14 -2.50 0.00 0.00 175.30 173.73 2cqv s GLN 90 N -2.61 0.05 0.46 5.12 -2.07 -1.26 -0.22 119.66 119.13 2cqv s GLN 90 Ca -0.03 0.21 0.04 0.00 -1.82 0.00 0.00 55.36 53.77 2cqv s GLN 90 Cb -0.01 -0.12 0.04 0.00 -1.09 0.00 0.00 33.01 31.84 2cqv s GLN 90 CO -0.04 -0.11 0.36 0.00 -1.32 0.00 0.00 175.29 174.19 2cqv n ALA 91 N 3.77 0.73 -3.64 2.60 0.00 -0.45 -4.93 120.51 118.59 2cqv n ALA 91 Ca -0.22 -1.85 -0.09 0.00 0.00 0.00 0.00 53.44 51.28 2cqv n ALA 91 Cb 0.54 0.75 -0.09 0.00 0.00 0.00 0.00 19.45 20.65 2cqv n ALA 91 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2cqv s GLN 92 N -3.91 0.56 -0.03 0.00 -0.21 -1.26 -3.57 119.66 111.23 2cqv s GLN 92 Ca 0.28 0.97 -0.02 0.00 0.02 0.00 0.00 55.36 56.61 2cqv s GLN 92 Cb -0.02 0.09 0.02 0.00 1.00 0.00 0.00 33.01 34.09 2cqv s GLN 92 CO 0.18 -0.14 0.08 0.54 -2.12 0.00 0.00 175.29 173.82 2cqv s VAL 93 N 1.36 -0.02 -0.15 1.09 0.11 -1.07 -4.92 120.40 116.81 2cqv s VAL 93 Ca -0.09 0.07 -0.07 0.00 -2.93 0.00 0.00 61.98 58.96 2cqv s VAL 93 Cb -0.06 -0.13 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 2cqv s VAL 93 CO -0.14 0.03 0.11 0.20 -3.33 0.00 0.00 175.10 171.96 2cqv s ASN 94 N 0.40 6.08 0.13 3.54 0.01 -1.26 -1.57 114.94 122.26 2cqv s ASN 94 Ca -0.03 0.30 0.08 0.00 -0.71 0.00 0.00 52.86 52.50 2cqv s ASN 94 Cb -0.04 -1.98 -0.04 0.00 0.41 0.00 0.00 41.25 39.59 2cqv s ASN 94 CO -0.02 0.31 -0.18 -0.22 -1.51 0.00 0.00 177.10 175.48 2cqv s LEU 95 N -0.43 2.36 -0.03 0.60 2.96 -0.77 -1.67 118.68 121.71 2cqv s LEU 95 Ca 0.11 -0.76 -0.01 0.00 -0.22 0.00 0.00 54.13 53.25 2cqv s LEU 95 Cb -0.12 -0.78 0.03 0.00 0.50 0.00 0.00 46.19 45.83 2cqv s LEU 95 CO 0.02 -0.02 0.04 -0.89 -1.32 0.00 0.00 176.35 174.17 2cqv s THR 96 N -1.65 -0.04 -0.11 3.68 2.01 -1.08 -3.23 115.64 115.23 2cqv s THR 96 Ca 0.09 0.28 -0.14 0.00 0.31 0.00 0.00 61.69 62.24 2cqv s THR 96 Cb -0.08 -0.14 -0.05 0.00 0.01 0.00 0.00 72.50 72.25 2cqv s THR 96 CO 0.05 0.13 0.32 -0.69 -0.69 0.00 0.00 174.62 173.74 2cqv s VAL 97 N 1.49 5.24 -0.13 3.82 1.01 -1.26 -0.74 120.40 129.84 2cqv s VAL 97 Ca -0.04 0.62 -0.01 0.00 0.00 0.00 0.00 61.98 62.56 2cqv s VAL 97 Cb -0.13 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.65 2cqv s VAL 97 CO -0.03 0.47 -0.02 0.68 0.00 0.00 0.00 175.10 176.20 2cqv s VAL 98 N -0.14 0.72 -1.86 2.92 -7.23 -0.21 -4.86 120.40 109.74 2cqv s VAL 98 Ca 0.19 -0.29 0.09 0.00 -1.81 0.00 0.00 61.98 60.16 2cqv s VAL 98 Cb -0.14 -0.93 0.27 0.00 0.56 0.00 0.00 36.38 36.14 2cqv s VAL 98 CO 0.07 0.15 1.19 -0.67 -0.31 0.00 0.00 175.10 175.53 2cqv n ASP 99 N 5.02 1.71 -3.70 4.85 2.03 -1.26 -0.10 116.55 125.09 2cqv n ASP 99 Ca -0.10 -2.04 -0.13 0.00 0.52 0.00 0.00 54.79 53.05 2cqv n ASP 99 Cb 0.49 -0.24 -0.07 0.00 -0.72 0.00 0.00 41.12 40.58 2cqv n ASP 99 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2cqv s LYS 100 N -1.62 0.85 1.20 -0.67 -0.14 -1.26 -4.89 119.74 113.21 2cqv s LYS 100 Ca 0.20 -0.36 -0.20 0.00 -1.36 0.00 0.00 55.97 54.24 2cqv s LYS 100 Cb 0.11 0.38 0.30 0.00 -1.68 0.00 0.00 37.83 36.93 2cqv s LYS 100 CO 0.13 -0.28 1.06 -0.35 -0.76 0.00 0.00 175.35 175.15 2cqv n PRO 101 N 0.65 -3.09 -2.51 -1.68 -0.04 -1.26 -5.01 135.00 122.05 2cqv n PRO 101 Ca -0.19 -1.70 -0.34 0.00 -0.04 0.00 0.00 63.50 61.23 2cqv n PRO 101 Cb 0.59 -1.59 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 2cqv n PRO 101 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2cqv s ASP 102 N -4.37 6.27 0.39 3.54 1.11 -1.26 -5.01 116.67 117.35 2cqv s ASP 102 Ca 0.69 1.96 -0.26 0.00 0.18 0.00 0.00 52.55 55.12 2cqv s ASP 102 Cb -0.07 -2.56 -0.09 0.00 1.07 0.00 0.00 42.92 41.27 2cqv s ASP 102 CO 0.53 -0.83 1.19 -2.16 1.18 0.00 0.00 175.17 175.08 2cqv s PRO 103 N -3.24 4.08 0.34 8.23 0.04 -1.26 -5.04 135.00 138.15 2cqv s PRO 103 Ca 0.68 1.90 -0.06 0.00 0.04 0.00 0.00 61.00 63.56 2cqv s PRO 103 Cb -0.17 -2.72 0.09 0.00 0.04 0.00 0.00 34.50 31.73 2cqv s PRO 103 CO 0.21 -0.32 0.31 -0.35 0.04 0.00 0.00 177.00 176.88 2cqv n PRO 104 N 0.16 -1.62 -3.59 0.56 -0.04 -1.26 -4.44 135.00 124.77 2cqv n PRO 104 Ca 0.04 -0.49 -0.22 0.00 -0.04 0.00 0.00 63.50 62.79 2cqv n PRO 104 Cb 0.46 -0.46 0.07 0.00 -0.04 0.00 0.00 33.50 33.53 2cqv n PRO 104 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cqv n ALA 105 N -3.53 -1.64 0.04 0.55 0.00 -1.26 -4.79 120.51 109.89 2cqv n ALA 105 Ca -0.06 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2cqv n ALA 105 Cb 0.16 -3.91 0.00 0.00 0.00 0.00 0.00 19.45 15.71 2cqv n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cqv n GLY 106 N -1.61 -0.79 3.63 0.00 0.00 -1.26 -5.10 105.19 100.05 2cqv n GLY 106 Ca -0.13 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2cqv n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2cqv s THR 107 N -2.00 4.97 0.21 2.61 -1.32 -1.26 -4.94 115.64 113.91 2cqv s THR 107 Ca 0.00 1.17 0.24 0.00 -1.21 0.00 0.00 61.69 61.89 2cqv s THR 107 Cb 0.00 -3.96 0.24 0.00 -1.51 0.00 0.00 72.50 67.27 2cqv s THR 107 CO 0.00 0.01 1.88 1.55 -2.21 0.00 0.00 174.62 175.85 2cqv h PRO 108 N 7.88 0.00 -4.75 7.08 0.13 -2.02 -3.36 132.00 136.96 2cqv h PRO 108 Ca -0.26 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.15 2cqv h PRO 108 Cb 1.12 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.14 2cqv h PRO 108 CO 0.78 0.21 2.19 -1.13 -0.23 0.00 0.00 178.00 179.82 2cqv n SER 109 N -3.47 4.79 -4.25 1.44 3.41 -1.26 -4.92 113.62 109.36 2cqv n SER 109 Ca -0.00 -2.95 -0.14 0.00 -0.26 0.00 0.00 58.87 55.52 2cqv n SER 109 Cb 0.39 -1.64 -0.10 0.00 -0.26 0.00 0.00 64.21 62.60 2cqv n SER 109 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cqv s GLY 110 N 3.06 1.36 0.90 5.00 0.00 -1.26 -5.17 107.32 111.22 2cqv s GLY 110 Ca 0.47 -1.67 -0.15 0.00 0.00 0.00 0.00 44.72 43.37 2cqv s GLY 110 CO 0.01 -1.52 0.80 -1.55 0.00 0.00 0.00 173.10 170.84 2cqv n PRO 111 N -0.29 -2.58 0.00 2.90 -0.04 -1.26 -5.05 135.00 128.68 2cqv n PRO 111 Ca -0.04 -1.28 0.00 0.00 -0.04 0.00 0.00 63.50 62.14 2cqv n PRO 111 Cb 0.64 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 2cqv n PRO 111 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cqv n SER 112 N -4.37 0.02 -4.45 3.54 2.88 -1.26 -4.94 113.62 105.04 2cqv n SER 112 Ca 0.11 0.01 -0.44 0.00 -1.33 0.00 0.00 58.87 57.22 2cqv n SER 112 Cb 0.43 -0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.87 2cqv n SER 112 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cqv s SER 113 N -5.02 6.79 0.00 -3.46 1.04 -1.26 -5.36 113.70 106.43 2cqv s SER 113 Ca 0.00 -2.41 0.19 0.00 0.48 0.00 0.00 55.95 54.22 2cqv s SER 113 Cb 0.00 -2.39 0.15 0.00 0.10 0.00 0.00 66.02 63.88 2cqv s SER 113 CO 0.00 -0.93 1.11 0.61 0.98 0.00 0.00 173.24 175.01