#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqv s SER 2 N 0.00 2.10 0.24 1.61 1.04 -1.26 -5.14 113.70 112.30 2cqv s SER 2 Ca 0.00 -0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.13 2cqv s SER 2 Cb 0.00 -0.93 -0.05 0.00 0.10 0.00 0.00 66.02 65.13 2cqv s SER 2 CO 0.00 0.00 -0.04 -0.94 0.98 0.00 0.00 173.24 173.24 2cqv s SER 3 N 0.94 2.24 -0.10 7.02 1.04 -1.26 -5.08 113.70 118.50 2cqv s SER 3 Ca -0.09 -1.18 -0.27 0.00 0.48 0.00 0.00 55.95 54.90 2cqv s SER 3 Cb -0.15 -0.07 -0.27 0.00 0.10 0.00 0.00 66.02 65.63 2cqv s SER 3 CO -0.00 -0.41 0.85 1.23 0.98 0.00 0.00 173.24 175.89 2cqv h GLY 4 N 2.43 0.10 -7.30 7.32 0.00 -2.03 -3.41 103.07 100.19 2cqv h GLY 4 Ca -0.39 -0.25 -0.20 0.00 0.00 0.00 0.00 47.33 46.49 2cqv h GLY 4 CO 0.65 0.22 0.58 -1.35 0.00 0.00 0.00 176.54 176.64 2cqv s SER 5 N -6.39 4.57 -0.03 0.19 1.04 -1.26 -4.92 113.70 106.90 2cqv s SER 5 Ca -0.17 -0.90 -0.03 0.00 0.48 0.00 0.00 55.95 55.33 2cqv s SER 5 Cb -0.01 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 2cqv s SER 5 CO 0.73 -3.42 0.13 -0.44 0.98 0.00 0.00 173.24 171.22 2cqv s SER 6 N 8.17 6.08 0.98 7.02 0.01 -1.26 -5.04 113.70 129.66 2cqv s SER 6 Ca 0.76 0.29 -0.19 0.00 1.31 0.00 0.00 55.95 58.12 2cqv s SER 6 Cb -0.06 -1.86 0.01 0.00 0.21 0.00 0.00 66.02 64.32 2cqv s SER 6 CO 0.08 0.30 -0.46 0.61 0.41 0.00 0.00 173.24 174.19 2cqv n GLY 7 N 1.28 -2.49 3.76 3.44 0.00 -1.26 -4.23 105.19 105.69 2cqv n GLY 7 Ca -0.14 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.80 4.46 -0.03 1.61 0.04 -1.26 -4.50 135.00 132.52 2cqv s PRO 8 Ca 0.38 2.06 -0.05 0.00 0.04 0.00 0.00 61.00 63.43 2cqv s PRO 8 Cb -0.01 -3.13 0.01 0.00 0.04 0.00 0.00 34.50 31.41 2cqv s PRO 8 CO 0.51 -0.06 0.12 1.14 0.04 0.00 0.00 177.00 178.75 2cqv s GLN 9 N -1.45 0.29 -0.62 4.56 -2.07 -0.50 -4.24 119.66 115.62 2cqv s GLN 9 Ca 0.48 -0.09 -0.16 0.00 -1.82 0.00 0.00 55.36 53.78 2cqv s GLN 9 Cb -0.37 0.12 0.14 0.00 -1.09 0.00 0.00 33.01 31.82 2cqv s GLN 9 CO 0.47 -0.06 0.61 0.42 -1.32 0.00 0.00 175.29 175.41 2cqv s ILE 10 N -0.57 5.22 -0.22 3.63 1.01 -1.26 -1.53 121.20 127.48 2cqv s ILE 10 Ca -0.07 -1.63 0.17 0.00 0.00 0.00 0.00 60.65 59.13 2cqv s ILE 10 Cb -0.04 -4.41 0.10 0.00 0.01 0.00 0.00 42.46 38.12 2cqv s ILE 10 CO 0.01 -0.96 1.39 0.16 0.00 0.00 0.00 174.94 175.53 2cqv h ILE 11 N 5.65 0.60 -3.23 2.92 -2.65 -1.92 -3.44 117.51 115.45 2cqv h ILE 11 Ca -0.20 -1.88 -0.62 0.00 1.03 0.00 0.00 64.86 63.19 2cqv h ILE 11 Cb 1.08 2.25 -0.34 0.00 -2.05 0.00 0.00 36.82 37.76 2cqv h ILE 11 CO 0.99 0.34 -0.85 -1.10 0.03 0.00 0.00 178.15 177.57 2cqv s GLN 12 N -3.03 2.49 -0.27 0.16 -0.21 -1.25 -5.02 119.66 112.54 2cqv s GLN 12 Ca 0.04 -0.66 -0.25 0.00 0.02 0.00 0.00 55.36 54.51 2cqv s GLN 12 Cb 0.07 -2.09 0.07 0.00 1.00 0.00 0.00 33.01 32.06 2cqv s GLN 12 CO 0.74 -0.07 0.73 0.12 -2.12 0.00 0.00 175.29 174.70 2cqv s PHE 13 N 0.98 -0.78 0.13 0.91 5.36 -1.26 -1.73 117.98 121.59 2cqv s PHE 13 Ca -0.06 1.90 -0.31 0.00 -0.96 0.00 0.00 56.93 57.51 2cqv s PHE 13 Cb -0.15 0.28 -0.08 0.00 -0.34 0.00 0.00 43.02 42.73 2cqv s PHE 13 CO -0.03 -0.38 1.35 -1.25 -1.46 0.00 0.00 175.22 173.46 2cqv s PRO 14 N 0.39 4.35 0.56 10.12 0.04 -1.26 -5.03 135.00 144.17 2cqv s PRO 14 Ca 0.00 2.04 -0.06 0.00 0.04 0.00 0.00 61.00 63.02 2cqv s PRO 14 Cb -0.05 -3.24 0.12 0.00 0.04 0.00 0.00 34.50 31.37 2cqv s PRO 14 CO 0.00 -0.37 0.77 0.39 0.04 0.00 0.00 177.00 177.84 2cqv n GLU 15 N 3.56 -0.37 -1.57 4.56 -0.58 -1.26 -4.67 120.64 120.31 2cqv n GLU 15 Ca 0.10 -1.56 -0.56 0.00 -0.42 0.00 0.00 57.16 54.72 2cqv n GLU 15 Cb 0.43 -0.67 -0.08 0.00 -0.57 0.00 0.00 31.44 30.55 2cqv n GLU 15 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2cqv n ASP 16 N -3.26 2.13 -3.97 1.62 5.75 -1.26 -4.68 116.55 112.87 2cqv n ASP 16 Ca 0.11 0.82 -0.22 0.00 -0.01 0.00 0.00 54.79 55.49 2cqv n ASP 16 Cb 0.38 -1.15 -0.09 0.00 -1.03 0.00 0.00 41.12 39.24 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 4.70 1.76 0.28 0.11 -2.07 -0.87 -4.99 119.66 118.57 2cqv s GLN 17 Ca 1.05 -2.03 0.07 0.00 -1.82 0.00 0.00 55.36 52.62 2cqv s GLN 17 Cb -1.05 -0.28 -0.06 0.00 -1.09 0.00 0.00 33.01 30.53 2cqv s GLN 17 CO 0.61 -0.48 -0.06 0.21 -1.32 0.00 0.00 175.29 174.25 2cqv s LYS 18 N -3.72 1.55 -0.12 9.60 2.20 -1.26 -2.73 119.74 125.26 2cqv s LYS 18 Ca 0.32 -1.79 -0.18 0.00 -0.36 0.00 0.00 55.97 53.96 2cqv s LYS 18 Cb 0.04 -1.16 0.04 0.00 -1.51 0.00 0.00 37.83 35.24 2cqv s LYS 18 CO 0.18 0.04 0.47 0.54 -0.36 0.00 0.00 175.35 176.21 2cqv s VAL 19 N -3.01 0.02 -0.36 4.02 0.11 0.59 -4.89 120.40 116.88 2cqv s VAL 19 Ca 0.30 -0.12 -0.25 0.00 -2.93 0.00 0.00 61.98 58.97 2cqv s VAL 19 Cb 0.04 -0.70 0.01 0.00 -1.53 0.00 0.00 36.38 34.20 2cqv s VAL 19 CO 0.12 -0.07 0.90 -0.13 -3.33 0.00 0.00 175.10 172.59 2cqv s ARG 20 N -0.38 3.85 -0.43 1.54 1.81 -1.26 -0.23 118.95 123.86 2cqv s ARG 20 Ca -0.05 0.56 -0.38 0.00 -1.72 0.00 0.00 55.73 54.13 2cqv s ARG 20 Cb -0.03 -3.79 -0.16 0.00 -0.45 0.00 0.00 34.95 30.51 2cqv s ARG 20 CO 0.03 -0.91 1.74 0.00 -0.68 0.00 0.00 175.30 175.49 2cqv n ALA 21 N 6.67 -0.07 0.00 2.13 0.00 0.24 0.18 120.51 129.66 2cqv n ALA 21 Ca 0.06 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2cqv n ALA 21 Cb 0.48 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 5.85 0.86 3.30 0.00 0.00 0.27 -4.85 105.19 110.62 2cqv n GLY 22 Ca 0.43 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.10 0.11 -4.11 1.61 -0.58 0.13 -4.23 120.64 112.47 2cqv n GLU 23 Ca 0.00 -2.37 -0.33 0.00 -0.42 0.00 0.00 57.16 54.04 2cqv n GLU 23 Cb 0.00 -0.50 -0.16 0.00 -0.57 0.00 0.00 31.44 30.21 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 -4.39 3.51 0.17 1.62 1.04 -1.26 -1.78 113.70 112.61 2cqv s SER 24 Ca 0.56 -0.87 0.05 0.00 0.48 0.00 0.00 55.95 56.17 2cqv s SER 24 Cb -0.03 -1.50 -0.04 0.00 0.10 0.00 0.00 66.02 64.55 2cqv s SER 24 CO 0.37 -0.05 0.15 0.54 0.98 0.00 0.00 173.24 175.22 2cqv s VAL 25 N 1.24 4.52 -0.39 5.02 0.11 -1.09 -4.96 120.40 124.85 2cqv s VAL 25 Ca 0.01 -1.09 0.01 0.00 -2.93 0.00 0.00 61.98 57.98 2cqv s VAL 25 Cb -0.15 -3.32 0.13 0.00 -1.53 0.00 0.00 36.38 31.52 2cqv s VAL 25 CO -0.11 -0.12 0.21 -1.61 -3.33 0.00 0.00 175.10 170.14 2cqv s GLU 26 N -3.16 0.91 -0.38 1.54 2.02 -1.26 -2.12 118.70 116.25 2cqv s GLU 26 Ca 0.31 -1.60 -0.20 0.00 0.02 0.00 0.00 54.97 53.50 2cqv s GLU 26 Cb -0.10 -1.88 0.01 0.00 0.10 0.00 0.00 34.13 32.26 2cqv s GLU 26 CO 0.24 -1.15 0.63 -0.51 0.02 0.00 0.00 175.26 174.48 2cqv s LEU 27 N 0.82 4.34 -0.05 1.80 1.43 -0.97 -4.88 118.68 121.17 2cqv s LEU 27 Ca 0.17 -0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.29 2cqv s LEU 27 Cb -0.23 -2.75 -0.01 0.00 0.03 0.00 0.00 46.19 43.23 2cqv s LEU 27 CO -0.03 -0.65 -0.24 0.12 0.23 0.00 0.00 176.35 175.78 2cqv s PHE 28 N 2.73 2.31 -0.39 0.29 5.36 -1.26 0.61 117.98 127.63 2cqv s PHE 28 Ca 0.23 -0.66 0.02 0.00 -0.96 0.00 0.00 56.93 55.57 2cqv s PHE 28 Cb -0.14 -1.52 0.12 0.00 -0.34 0.00 0.00 43.02 41.13 2cqv s PHE 28 CO 0.16 -0.19 0.15 0.20 -1.46 0.00 0.00 175.22 174.09 2cqv s GLY 29 N -0.19 1.74 0.25 13.12 0.00 -0.93 -4.22 107.32 117.09 2cqv s GLY 29 Ca -0.02 -2.47 -0.31 0.00 0.00 0.00 0.00 44.72 41.92 2cqv s GLY 29 CO 0.03 1.29 1.48 1.17 0.00 0.00 0.00 173.10 177.06 2cqv n LYS 30 N 3.99 2.24 -4.77 2.90 4.81 -0.71 -3.76 118.16 122.86 2cqv n LYS 30 Ca 0.04 0.80 -0.25 0.00 -0.87 0.00 0.00 58.31 58.02 2cqv n LYS 30 Cb 0.38 -2.50 -0.15 0.00 0.02 0.00 0.00 35.03 32.78 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 0.05 1.56 0.09 3.15 -7.23 0.62 -3.05 120.40 115.59 2cqv s VAL 31 Ca 0.68 -1.01 0.04 0.00 -1.81 0.00 0.00 61.98 59.88 2cqv s VAL 31 Cb -0.61 -1.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 2cqv s VAL 31 CO 0.48 0.30 -0.11 0.28 -0.31 0.00 0.00 175.10 175.74 2cqv s THR 32 N -0.64 0.95 0.00 5.32 -1.32 -0.58 -4.67 115.64 114.70 2cqv s THR 32 Ca 0.07 -1.52 0.00 0.00 -1.21 0.00 0.00 61.69 59.03 2cqv s THR 32 Cb -0.08 -1.23 0.00 0.00 -1.51 0.00 0.00 72.50 69.68 2cqv s THR 32 CO 0.01 -0.47 0.00 0.61 -2.21 0.00 0.00 174.62 172.55 2cqv n GLY 33 N 0.79 -0.65 2.93 6.08 0.00 -1.26 -1.41 105.19 111.67 2cqv n GLY 33 Ca -0.18 0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.50 0.62 2.61 2.01 -1.26 -4.72 115.64 114.40 2cqv s THR 34 Ca 0.00 0.02 -0.15 0.00 0.31 0.00 0.00 61.69 61.87 2cqv s THR 34 Cb 0.00 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 2cqv s THR 34 CO 0.00 -0.07 1.07 -1.10 -0.69 0.00 0.00 174.62 173.83 2cqv s GLN 35 N 2.47 3.13 0.80 4.92 -1.52 -1.26 -4.39 119.66 123.82 2cqv s GLN 35 Ca 0.07 1.20 -0.11 0.00 -1.95 0.00 0.00 55.36 54.58 2cqv s GLN 35 Cb -0.14 -2.01 0.07 0.00 -0.22 0.00 0.00 33.01 30.71 2cqv s GLN 35 CO -0.13 -0.96 1.09 -1.25 -0.25 0.00 0.00 175.29 173.79 2cqv s PRO 36 N -4.23 2.05 -0.02 2.91 0.04 -1.26 -5.04 135.00 129.44 2cqv s PRO 36 Ca 0.63 1.09 0.01 0.00 0.04 0.00 0.00 61.00 62.78 2cqv s PRO 36 Cb -0.17 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.51 2cqv s PRO 36 CO 0.41 -1.77 -0.04 0.42 0.04 0.00 0.00 177.00 176.05 2cqv s ILE 37 N -2.91 0.44 0.42 0.56 1.01 -1.26 -4.50 121.20 114.96 2cqv s ILE 37 Ca 0.62 -0.15 -0.09 0.00 0.00 0.00 0.00 60.65 61.02 2cqv s ILE 37 Cb -0.17 -0.43 -0.06 0.00 0.01 0.00 0.00 42.46 41.81 2cqv s ILE 37 CO 0.56 0.16 0.77 -0.89 0.00 0.00 0.00 174.94 175.55 2cqv s THR 38 N 0.39 4.82 -0.26 2.92 2.01 0.76 -4.96 115.64 121.32 2cqv s THR 38 Ca -0.05 0.52 -0.02 0.00 0.31 0.00 0.00 61.69 62.45 2cqv s THR 38 Cb -0.08 -3.77 0.15 0.00 0.01 0.00 0.00 72.50 68.81 2cqv s THR 38 CO -0.00 -0.60 0.44 0.00 -0.69 0.00 0.00 174.62 173.76 2cqv s THR 40 N 2.63 2.12 -0.30 0.00 2.01 0.83 -4.96 115.64 117.97 2cqv s THR 40 Ca 0.15 -0.98 -0.15 0.00 0.31 0.00 0.00 61.69 61.02 2cqv s THR 40 Cb -0.15 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 2cqv s THR 40 CO -0.17 0.55 0.37 0.26 -0.69 0.00 0.00 174.62 174.94 2cqv s TRP 41 N 0.50 3.23 0.18 4.92 0.52 -1.26 -0.68 118.94 126.35 2cqv s TRP 41 Ca -0.14 0.25 0.04 0.00 0.02 0.00 0.00 56.10 56.26 2cqv s TRP 41 Cb -0.17 -2.61 -0.05 0.00 -1.15 0.00 0.00 33.47 29.49 2cqv s TRP 41 CO 0.05 -0.31 -0.05 -1.64 0.02 0.00 0.00 176.95 175.02 2cqv s MET 42 N 2.06 1.16 -0.07 4.98 -1.94 0.07 -0.09 119.30 125.47 2cqv s MET 42 Ca 0.14 -1.54 -0.06 0.00 -1.71 0.00 0.00 55.69 52.52 2cqv s MET 42 Cb -0.16 -0.56 0.03 0.00 2.01 0.00 0.00 34.83 36.14 2cqv s MET 42 CO 0.11 -0.02 0.19 0.21 -0.01 0.00 0.00 175.02 175.50 2cqv s LYS 43 N -3.81 0.19 -1.52 2.03 2.20 0.72 0.18 119.74 119.73 2cqv s LYS 43 Ca 0.22 0.32 -0.11 0.00 -0.36 0.00 0.00 55.97 56.04 2cqv s LYS 43 Cb 0.04 0.03 0.08 0.00 -1.51 0.00 0.00 37.83 36.47 2cqv s LYS 43 CO 0.04 -0.07 0.82 1.19 -0.36 0.00 0.00 175.35 176.97 2cqv n PHE 44 N 3.36 -2.03 -2.05 4.03 3.72 -0.26 0.25 117.46 124.48 2cqv n PHE 44 Ca -0.17 0.85 -0.17 0.00 -0.05 0.00 0.00 57.45 57.91 2cqv n PHE 44 Cb 0.57 -3.78 -0.03 0.00 -0.94 0.00 0.00 39.48 35.30 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 -4.52 -1.31 -3.79 -1.08 5.12 -1.26 -4.98 116.66 104.84 2cqv n ARG 45 Ca -0.05 0.92 -0.28 0.00 -1.93 0.00 0.00 57.85 56.51 2cqv n ARG 45 Cb 0.56 -5.30 -0.16 0.00 -1.16 0.00 0.00 32.46 26.40 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 -4.39 0.90 0.29 5.56 2.20 0.14 -5.12 119.74 119.31 2cqv s LYS 46 Ca 0.00 -0.48 -0.30 0.00 -0.36 0.00 0.00 55.97 54.83 2cqv s LYS 46 Cb 0.00 -2.09 -0.13 0.00 -1.51 0.00 0.00 37.83 34.10 2cqv s LYS 46 CO 0.00 -0.58 1.38 0.94 -0.36 0.00 0.00 175.35 176.73 2cqv n GLN 47 N 4.98 2.15 -2.92 4.03 7.27 -1.26 -0.20 117.38 131.43 2cqv n GLN 47 Ca -0.10 0.76 -0.36 0.00 0.07 0.00 0.00 57.00 57.37 2cqv n GLN 47 Cb 0.47 -2.40 -0.06 0.00 2.41 0.00 0.00 30.24 30.66 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 -0.50 4.38 -0.19 1.69 1.01 0.87 -4.83 121.20 123.63 2cqv s ILE 48 Ca 0.62 1.56 -0.02 0.00 0.00 0.00 0.00 60.65 62.82 2cqv s ILE 48 Cb -0.60 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 37.96 2cqv s ILE 48 CO 0.55 0.12 -0.10 0.00 0.00 0.00 0.00 174.94 175.51 2cqv s GLN 49 N -2.15 3.31 0.33 2.79 0.00 -1.26 -4.86 119.66 117.82 2cqv s GLN 49 Ca 0.49 -0.68 -0.26 0.00 -0.00 0.00 0.00 55.36 54.91 2cqv s GLN 49 Cb -0.17 -2.81 -0.14 0.00 0.00 0.00 0.00 33.01 29.89 2cqv s GLN 49 CO 0.22 -0.07 0.76 0.39 0.00 0.00 0.00 175.29 176.58 2cqv n GLU 50 N 4.37 0.83 -3.95 9.60 1.02 -1.26 -4.70 120.64 126.56 2cqv n GLU 50 Ca -0.19 0.30 0.01 0.00 -0.02 0.00 0.00 57.16 57.26 2cqv n GLU 50 Cb 0.51 -1.59 0.01 0.00 -0.02 0.00 0.00 31.44 30.36 2cqv n GLU 50 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2cqv s SER 51 N -0.79 0.00 0.00 1.62 0.01 0.24 -4.92 113.70 109.87 2cqv s SER 51 Ca 0.62 -0.35 0.17 0.00 1.31 0.00 0.00 55.95 57.70 2cqv s SER 51 Cb -0.70 0.26 0.94 0.00 0.21 0.00 0.00 66.02 66.73 2cqv s SER 51 CO 0.58 -0.51 1.46 1.21 0.41 0.00 0.00 173.24 176.39 2cqv n GLU 52 N -0.83 0.39 -0.03 12.44 4.07 -1.26 -2.52 120.64 132.90 2cqv n GLU 52 Ca 0.01 0.06 -0.03 0.00 -0.06 0.00 0.00 57.16 57.14 2cqv n GLU 52 Cb 0.59 -1.50 -0.04 0.00 -0.06 0.00 0.00 31.44 30.43 2cqv n GLU 52 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2cqv n HIS 53 N -1.14 0.00 -3.82 4.31 8.25 -1.26 -4.44 115.22 117.12 2cqv n HIS 53 Ca 0.11 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.27 2cqv n HIS 53 Cb 0.09 -0.28 -0.16 0.00 1.12 0.00 0.00 29.99 30.76 2cqv n HIS 53 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2cqv s MET 54 N -2.14 1.05 0.63 -0.41 -1.94 -1.05 -0.40 119.30 115.04 2cqv s MET 54 Ca -0.04 -0.94 0.03 0.00 -1.71 0.00 0.00 55.69 53.03 2cqv s MET 54 Cb 0.02 -2.31 0.12 0.00 2.01 0.00 0.00 34.83 34.67 2cqv s MET 54 CO 0.23 -0.77 0.87 1.63 -0.01 0.00 0.00 175.02 176.97 2cqv n LYS 55 N 4.80 0.18 -3.61 2.03 4.76 0.38 0.80 118.16 127.50 2cqv n LYS 55 Ca -0.07 -2.68 -0.02 0.00 -2.87 0.00 0.00 58.31 52.68 2cqv n LYS 55 Cb 0.44 -0.48 -0.05 0.00 -1.84 0.00 0.00 35.03 33.10 2cqv n LYS 55 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2cqv s VAL 56 N -2.70 -0.72 -0.56 -0.18 1.01 -1.26 -3.73 120.40 112.27 2cqv s VAL 56 Ca 0.60 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.56 2cqv s VAL 56 Cb -0.04 -1.00 0.15 0.00 0.00 0.00 0.00 36.38 35.49 2cqv s VAL 56 CO 0.39 0.00 0.36 -0.70 0.00 0.00 0.00 175.10 175.16 2cqv s GLU 57 N 2.56 2.36 -0.16 2.72 2.56 -0.04 -4.93 118.70 123.76 2cqv s GLU 57 Ca -0.06 -2.36 -0.24 0.00 0.00 0.00 0.00 54.97 52.31 2cqv s GLU 57 Cb -0.10 -3.65 -0.02 0.00 2.00 0.00 0.00 34.13 32.36 2cqv s GLU 57 CO -0.19 -1.14 0.76 0.54 -0.56 0.00 0.00 175.26 174.67 2cqv s ASN 58 N 0.86 6.89 0.20 -1.70 2.20 -1.26 -1.20 114.94 120.92 2cqv s ASN 58 Ca 0.15 1.08 -0.17 0.00 -0.94 0.00 0.00 52.86 52.99 2cqv s ASN 58 Cb -0.21 -2.42 0.02 0.00 -2.00 0.00 0.00 41.25 36.64 2cqv s ASN 58 CO -0.03 -0.33 0.50 -0.44 -2.94 0.00 0.00 177.10 173.86 2cqv s SER 59 N 1.12 -0.22 0.09 3.54 0.01 0.14 -5.00 113.70 113.38 2cqv s SER 59 Ca 0.36 -0.54 -0.21 0.00 1.31 0.00 0.00 55.95 56.87 2cqv s SER 59 Cb -0.17 0.57 -0.06 0.00 0.21 0.00 0.00 66.02 66.57 2cqv s SER 59 CO 0.13 -1.05 1.36 -0.08 0.41 0.00 0.00 173.24 174.01 2cqv h GLU 60 N 2.23 -0.18 -1.02 12.44 4.81 -1.96 0.23 114.58 131.15 2cqv h GLU 60 Ca -0.29 0.01 0.38 0.00 -0.13 0.00 0.00 59.36 59.33 2cqv h GLU 60 Cb 1.26 0.04 -0.16 0.00 0.63 0.00 0.00 28.75 30.51 2cqv h GLU 60 CO 0.38 -0.12 0.57 -0.91 -0.73 0.00 0.00 179.01 178.20 2cqv h ASN 61 N -0.18 0.40 0.00 1.04 2.35 -1.98 -3.43 115.58 113.78 2cqv h ASN 61 Ca 0.06 0.22 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2cqv h ASN 61 Cb 0.35 0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2cqv h ASN 61 CO -0.46 -0.30 0.00 0.61 -1.65 0.00 0.00 177.43 175.64 2cqv n GLY 62 N -1.28 -0.53 3.02 2.83 0.00 0.81 -0.28 105.19 109.76 2cqv n GLY 62 Ca 0.35 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 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 1.24 0.22 1.61 0.15 -1.25 0.29 113.70 111.96 2cqv s SER 63 Ca 0.00 -0.19 0.09 0.00 0.70 0.00 0.00 55.95 56.55 2cqv s SER 63 Cb 0.00 -0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 63.99 2cqv s SER 63 CO 0.00 0.08 -0.05 -0.75 1.20 0.00 0.00 173.24 173.73 2cqv s LYS 64 N 0.07 2.18 -0.33 5.44 2.20 -0.34 -2.20 119.74 126.77 2cqv s LYS 64 Ca -0.01 -1.34 -0.01 0.00 -0.36 0.00 0.00 55.97 54.25 2cqv s LYS 64 Cb -0.07 -2.16 0.11 0.00 -1.51 0.00 0.00 37.83 34.19 2cqv s LYS 64 CO 0.00 0.40 0.13 -1.17 -0.36 0.00 0.00 175.35 174.36 2cqv s LEU 65 N -3.24 2.05 -0.37 5.43 2.96 0.20 -0.86 118.68 124.84 2cqv s LEU 65 Ca 0.28 -1.80 -0.20 0.00 -0.22 0.00 0.00 54.13 52.19 2cqv s LEU 65 Cb -0.08 -0.81 0.01 0.00 0.50 0.00 0.00 46.19 45.81 2cqv s LEU 65 CO 0.18 -0.39 0.64 -0.89 -1.32 0.00 0.00 176.35 174.57 2cqv s THR 66 N 1.43 4.88 -0.29 3.68 2.01 -1.24 -2.30 115.64 123.80 2cqv s THR 66 Ca 0.12 0.49 -0.13 0.00 0.31 0.00 0.00 61.69 62.48 2cqv s THR 66 Cb -0.19 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 2cqv s THR 66 CO -0.21 -0.37 0.26 -0.63 -0.69 0.00 0.00 174.62 172.98 2cqv s ILE 67 N 2.73 5.26 0.19 1.82 1.01 -0.90 -0.47 121.20 130.84 2cqv s ILE 67 Ca 0.24 0.18 -0.11 0.00 0.00 0.00 0.00 60.65 60.96 2cqv s ILE 67 Cb -0.14 -3.63 -0.07 0.00 0.01 0.00 0.00 42.46 38.63 2cqv s ILE 67 CO 0.16 0.15 0.54 -0.76 0.00 0.00 0.00 174.94 175.03 2cqv s LEU 68 N 1.85 4.24 -1.44 2.97 2.01 0.46 -2.66 118.68 126.12 2cqv s LEU 68 Ca 0.09 0.97 -0.07 0.00 0.01 0.00 0.00 54.13 55.12 2cqv s LEU 68 Cb -0.16 -3.48 0.01 0.00 0.01 0.00 0.00 46.19 42.57 2cqv s LEU 68 CO 0.11 0.01 0.14 0.00 1.01 0.00 0.00 176.35 177.62 2cqv n ALA 69 N 0.29 -2.11 -1.00 4.21 0.00 -1.14 -4.67 120.51 116.09 2cqv n ALA 69 Ca -0.02 -0.45 -0.36 0.00 0.00 0.00 0.00 53.44 52.61 2cqv n ALA 69 Cb 0.52 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 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 -4.60 -2.46 -2.58 0.00 0.00 -0.73 -4.19 120.51 105.96 2cqv n ALA 70 Ca -0.28 0.35 -0.24 0.00 0.00 0.00 0.00 53.44 53.28 2cqv n ALA 70 Cb 0.65 -1.16 -0.08 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.42 2.18 0.64 0.00 0.52 -1.26 0.95 118.95 121.56 2cqv s ARG 71 Ca 0.52 -1.56 0.40 0.00 -0.52 0.00 0.00 55.73 54.56 2cqv s ARG 71 Cb -0.74 -2.06 2.20 0.00 0.52 0.00 0.00 34.95 34.88 2cqv s ARG 71 CO 0.39 0.26 2.32 0.37 0.02 0.00 0.00 175.30 178.66 2cqv h GLN 72 N 1.86 0.00 0.00 3.54 5.75 -1.92 0.02 115.11 124.35 2cqv h GLN 72 Ca -0.43 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 57.98 2cqv h GLN 72 Cb 1.25 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.79 2cqv h GLN 72 CO 0.62 0.01 -0.51 1.05 -2.65 0.00 0.00 178.83 177.35 2cqv h GLU 73 N 0.00 0.00 0.00 1.69 4.11 -1.98 -3.13 114.58 115.27 2cqv h GLU 73 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2cqv h GLU 73 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2cqv h GLU 73 CO 0.00 0.37 0.00 0.72 0.07 0.00 0.00 179.01 180.17 2cqv n HIS 74 N -3.15 0.60 -2.11 2.06 8.25 -0.01 -4.63 115.22 116.23 2cqv n HIS 74 Ca 0.01 0.27 -0.43 0.00 -0.26 0.00 0.00 57.72 57.31 2cqv n HIS 74 Cb 0.70 -0.93 -0.03 0.00 1.12 0.00 0.00 29.99 30.86 2cqv n HIS 74 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2cqv n GLY 76 N 4.16 -0.60 3.25 0.00 0.00 -1.19 -5.00 105.19 105.82 2cqv n GLY 76 Ca 0.17 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 0.94 1.53 -0.29 0.00 1.51 -0.93 -1.10 117.35 119.01 2cqv s TYR 78 Ca -0.03 -0.53 -0.14 0.00 -1.01 0.00 0.00 57.07 55.36 2cqv s TYR 78 Cb -0.15 -2.53 0.11 0.00 -0.11 0.00 0.00 41.96 39.28 2cqv s TYR 78 CO -0.02 -1.35 0.74 0.99 -1.11 0.00 0.00 175.55 174.79 2cqv s THR 79 N -2.85 -0.39 -0.44 -0.71 2.01 0.48 -3.20 115.64 110.54 2cqv s THR 79 Ca 0.63 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 62.49 2cqv s THR 79 Cb -0.06 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.51 2cqv s THR 79 CO 0.41 0.00 0.34 -0.22 -0.69 0.00 0.00 174.62 174.46 2cqv s LEU 80 N 2.11 5.38 -0.32 4.42 2.96 -1.24 -0.75 118.68 131.25 2cqv s LEU 80 Ca -0.08 -1.22 -0.17 0.00 -0.22 0.00 0.00 54.13 52.44 2cqv s LEU 80 Cb -0.07 -2.14 -0.01 0.00 0.50 0.00 0.00 46.19 44.46 2cqv s LEU 80 CO -0.19 -0.57 0.46 -0.22 -1.32 0.00 0.00 176.35 174.51 2cqv s LEU 81 N 1.62 4.26 -0.34 -0.68 2.96 0.14 -2.48 118.68 124.17 2cqv s LEU 81 Ca 0.04 0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 2cqv s LEU 81 Cb -0.22 -2.52 0.08 0.00 0.50 0.00 0.00 46.19 44.02 2cqv s LEU 81 CO 0.07 -0.37 0.06 0.68 -1.32 0.00 0.00 176.35 175.47 2cqv s VAL 82 N 2.25 2.89 -0.02 1.68 -7.23 0.42 -0.12 120.40 120.27 2cqv s VAL 82 Ca 0.17 -1.77 0.03 0.00 -1.81 0.00 0.00 61.98 58.60 2cqv s VAL 82 Cb -0.16 -2.84 -0.03 0.00 0.56 0.00 0.00 36.38 33.91 2cqv s VAL 82 CO 0.12 -0.36 -0.08 -1.61 -0.31 0.00 0.00 175.10 172.87 2cqv s GLU 83 N 1.15 2.58 0.19 4.82 2.02 -1.18 -0.85 118.70 127.43 2cqv s GLU 83 Ca 0.01 -0.68 -0.02 0.00 0.02 0.00 0.00 54.97 54.30 2cqv s GLU 83 Cb -0.21 -2.50 0.01 0.00 0.10 0.00 0.00 34.13 31.53 2cqv s GLU 83 CO -0.03 0.62 0.27 0.27 0.02 0.00 0.00 175.26 176.40 2cqv n ASN 84 N 1.78 -0.76 0.13 -0.19 6.94 -0.08 -0.17 115.26 122.91 2cqv n ASN 84 Ca -0.16 -1.97 0.06 0.00 -0.02 0.00 0.00 54.58 52.49 2cqv n ASN 84 Cb 0.53 1.39 0.53 0.00 -2.36 0.00 0.00 39.78 39.87 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 0.27 0.00 -3.83 1.63 -1.86 -3.27 116.57 109.51 2cqv h LYS 85 Ca -0.14 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 2cqv h LYS 85 Cb 0.62 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 2cqv h LYS 85 CO 0.20 0.18 0.00 1.28 -3.45 0.00 0.00 179.45 177.65 2cqv n LEU 86 N -4.51 1.00 0.00 5.20 4.77 -1.26 -5.07 117.00 117.14 2cqv n LEU 86 Ca 0.00 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2cqv n LEU 86 Cb 0.07 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2cqv n LEU 86 CO 0.35 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 2cqv n GLY 87 N 1.31 4.92 3.41 -0.72 0.00 -1.24 -4.88 105.19 107.98 2cqv n GLY 87 Ca 0.00 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 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 1.39 -0.48 0.06 1.61 1.04 -1.26 -0.90 113.70 115.16 2cqv s SER 88 Ca 0.00 0.25 -0.05 0.00 0.48 0.00 0.00 55.95 56.62 2cqv s SER 88 Cb 0.00 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 2cqv s SER 88 CO 0.00 -0.71 0.09 -0.60 0.98 0.00 0.00 173.24 173.00 2cqv s ARG 89 N -2.31 0.69 -0.09 4.02 6.06 -0.03 -4.82 118.95 122.48 2cqv s ARG 89 Ca -0.06 -0.96 -0.08 0.00 -2.50 0.00 0.00 55.73 52.13 2cqv s ARG 89 Cb -0.01 0.27 0.03 0.00 0.06 0.00 0.00 34.95 35.30 2cqv s ARG 89 CO -0.00 -0.18 0.24 1.14 -2.50 0.00 0.00 175.30 173.99 2cqv s GLN 90 N -3.45 0.26 0.38 5.12 -2.07 -1.25 -0.43 119.66 118.21 2cqv s GLN 90 Ca 0.02 0.37 0.01 0.00 -1.82 0.00 0.00 55.36 53.94 2cqv s GLN 90 Cb 0.04 0.08 0.01 0.00 -1.09 0.00 0.00 33.01 32.06 2cqv s GLN 90 CO -0.09 -0.06 0.12 0.00 -1.32 0.00 0.00 175.29 173.95 2cqv n ALA 91 N 3.21 0.43 -3.66 2.60 0.00 -1.04 -4.92 120.51 117.13 2cqv n ALA 91 Ca -0.15 -1.63 -0.07 0.00 0.00 0.00 0.00 53.44 51.59 2cqv n ALA 91 Cb 0.57 0.81 -0.08 0.00 0.00 0.00 0.00 19.45 20.75 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 -3.45 0.53 -0.07 0.00 -0.21 -1.26 -3.64 119.66 111.56 2cqv s GLN 92 Ca 0.09 1.14 -0.00 0.00 0.02 0.00 0.00 55.36 56.61 2cqv s GLN 92 Cb -0.01 0.31 0.02 0.00 1.00 0.00 0.00 33.01 34.34 2cqv s GLN 92 CO 0.06 -0.18 -0.03 0.54 -2.12 0.00 0.00 175.29 173.55 2cqv s VAL 93 N 2.06 0.59 0.09 1.09 0.11 -1.20 -4.93 120.40 118.21 2cqv s VAL 93 Ca -0.07 -0.07 -0.26 0.00 -2.93 0.00 0.00 61.98 58.65 2cqv s VAL 93 Cb -0.09 -0.66 -0.06 0.00 -1.53 0.00 0.00 36.38 34.04 2cqv s VAL 93 CO -0.17 0.27 0.80 0.20 -3.33 0.00 0.00 175.10 172.87 2cqv s ASN 94 N 1.48 7.31 0.13 3.54 0.01 -1.26 -2.19 114.94 123.95 2cqv s ASN 94 Ca -0.02 1.56 0.07 0.00 -0.71 0.00 0.00 52.86 53.76 2cqv s ASN 94 Cb -0.13 -2.50 -0.04 0.00 0.41 0.00 0.00 41.25 38.99 2cqv s ASN 94 CO -0.03 0.05 -0.16 -0.22 -1.51 0.00 0.00 177.10 175.23 2cqv s LEU 95 N -0.33 2.39 -0.03 0.60 2.96 -0.46 -2.06 118.68 121.74 2cqv s LEU 95 Ca 0.39 -0.79 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 2cqv s LEU 95 Cb -0.22 -0.67 0.03 0.00 0.50 0.00 0.00 46.19 45.84 2cqv s LEU 95 CO 0.25 -0.08 0.06 -0.89 -1.32 0.00 0.00 176.35 174.37 2cqv s THR 96 N -1.90 -0.08 -0.19 3.68 2.01 -1.11 -3.15 115.64 114.91 2cqv s THR 96 Ca 0.09 0.26 -0.10 0.00 0.31 0.00 0.00 61.69 62.26 2cqv s THR 96 Cb -0.06 -0.13 -0.05 0.00 0.01 0.00 0.00 72.50 72.27 2cqv s THR 96 CO 0.04 0.11 0.15 -0.69 -0.69 0.00 0.00 174.62 173.54 2cqv s VAL 97 N 1.38 5.40 -0.07 3.82 1.01 -1.26 -0.30 120.40 130.38 2cqv s VAL 97 Ca -0.06 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.18 2cqv s VAL 97 Cb -0.13 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.78 2cqv s VAL 97 CO -0.04 0.45 -0.15 0.68 0.00 0.00 0.00 175.10 176.05 2cqv s VAL 98 N 0.27 1.34 -0.45 2.92 -7.23 0.69 -4.82 120.40 113.11 2cqv s VAL 98 Ca 0.09 -0.59 0.15 0.00 -1.81 0.00 0.00 61.98 59.83 2cqv s VAL 98 Cb -0.11 -1.20 0.74 0.00 0.56 0.00 0.00 36.38 36.37 2cqv s VAL 98 CO -0.01 0.40 1.66 -0.67 -0.31 0.00 0.00 175.10 176.17 2cqv n ASP 99 N 3.79 5.17 -4.31 4.85 -0.08 -1.26 0.79 116.55 125.50 2cqv n ASP 99 Ca -0.22 -2.82 -0.25 0.00 -1.51 0.00 0.00 54.79 49.99 2cqv n ASP 99 Cb 0.52 -0.63 -0.13 0.00 2.34 0.00 0.00 41.12 43.22 2cqv n ASP 99 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2cqv s LYS 100 N -2.53 1.20 0.64 -0.67 1.02 -1.26 -4.97 119.74 113.17 2cqv s LYS 100 Ca 0.51 -1.19 -0.11 0.00 0.02 0.00 0.00 55.97 55.20 2cqv s LYS 100 Cb 0.38 -1.51 0.16 0.00 -0.52 0.00 0.00 37.83 36.34 2cqv s LYS 100 CO 0.17 0.36 0.57 -0.35 -0.92 0.00 0.00 175.35 175.18 2cqv n PRO 101 N 1.09 -2.14 -1.89 -1.68 -0.04 -1.26 -4.99 135.00 124.08 2cqv n PRO 101 Ca -0.19 -0.91 -0.35 0.00 -0.04 0.00 0.00 63.50 62.00 2cqv n PRO 101 Cb 0.53 -0.86 0.04 0.00 -0.04 0.00 0.00 33.50 33.18 2cqv n PRO 101 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2cqv s ASP 102 N -3.05 5.01 0.89 3.54 -4.77 -1.26 -5.01 116.67 112.02 2cqv s ASP 102 Ca 0.37 2.36 -0.11 0.00 -3.30 0.00 0.00 52.55 51.87 2cqv s ASP 102 Cb -0.04 -2.59 0.12 0.00 -1.09 0.00 0.00 42.92 39.32 2cqv s ASP 102 CO 0.28 -1.71 1.09 -2.16 0.70 0.00 0.00 175.17 173.37 2cqv s PRO 103 N -3.48 1.34 0.98 2.11 0.04 -1.26 -5.04 135.00 129.69 2cqv s PRO 103 Ca 0.76 0.84 -0.12 0.00 0.04 0.00 0.00 61.00 62.52 2cqv s PRO 103 Cb -0.30 -1.82 0.18 0.00 0.04 0.00 0.00 34.50 32.60 2cqv s PRO 103 CO 0.36 -2.19 1.09 -1.25 0.04 0.00 0.00 177.00 175.05 2cqv s PRO 104 N -4.94 0.58 -0.35 0.56 0.04 -1.26 -5.02 135.00 124.61 2cqv s PRO 104 Ca 0.63 0.58 -0.10 0.00 0.04 0.00 0.00 61.00 62.15 2cqv s PRO 104 Cb -0.18 -1.75 0.02 0.00 0.04 0.00 0.00 34.50 32.63 2cqv s PRO 104 CO 0.57 -2.64 0.18 0.00 0.04 0.00 0.00 177.00 175.14 2cqv s ALA 105 N -2.96 3.24 0.00 8.56 0.00 -1.26 -5.01 121.76 124.33 2cqv s ALA 105 Ca 0.65 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2cqv s ALA 105 Cb -0.18 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.45 2cqv s ALA 105 CO 0.57 -1.24 0.24 0.41 0.00 0.00 0.00 175.76 175.75 2cqv n GLY 106 N 4.97 -0.36 3.77 0.00 0.00 -1.26 -4.84 105.19 107.46 2cqv n GLY 106 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 2cqv n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cqv s THR 107 N -0.68 3.65 -0.11 2.61 -4.23 -1.26 -4.98 115.64 110.64 2cqv s THR 107 Ca 0.00 1.41 -0.29 0.00 -1.18 0.00 0.00 61.69 61.63 2cqv s THR 107 Cb 0.00 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 2cqv s THR 107 CO 0.00 0.15 1.54 -2.16 -0.54 0.00 0.00 174.62 173.61 2cqv s PRO 108 N -2.08 4.13 -0.12 3.99 0.04 -1.26 -4.99 135.00 134.69 2cqv s PRO 108 Ca 0.53 1.95 -0.16 0.00 0.04 0.00 0.00 61.00 63.36 2cqv s PRO 108 Cb -0.26 -3.93 0.04 0.00 0.04 0.00 0.00 34.50 30.39 2cqv s PRO 108 CO 0.32 -0.89 0.42 0.45 0.04 0.00 0.00 177.00 177.35 2cqv s SER 109 N 3.11 -0.41 0.00 6.66 0.15 -1.26 -5.14 113.70 116.82 2cqv s SER 109 Ca 0.68 0.70 0.00 0.00 0.70 0.00 0.00 55.95 58.03 2cqv s SER 109 Cb -0.29 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 2cqv s SER 109 CO 0.25 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2cqv n GLY 110 N 2.43 -1.97 3.72 9.45 0.00 -1.26 -4.94 105.19 112.62 2cqv n GLY 110 Ca -0.15 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 2cqv n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqv s PRO 111 N -0.09 4.34 0.99 1.61 0.04 -1.26 -5.02 135.00 135.62 2cqv s PRO 111 Ca 0.00 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 62.95 2cqv s PRO 111 Cb 0.00 -3.25 0.18 0.00 0.04 0.00 0.00 34.50 31.47 2cqv s PRO 111 CO 0.00 -0.39 1.09 -1.12 0.04 0.00 0.00 177.00 176.62 2cqv s SER 112 N 0.99 2.67 0.30 6.66 0.01 -1.26 -5.07 113.70 118.00 2cqv s SER 112 Ca 0.63 1.25 0.10 0.00 1.31 0.00 0.00 55.95 59.24 2cqv s SER 112 Cb -0.36 -1.92 -0.05 0.00 0.21 0.00 0.00 66.02 63.90 2cqv s SER 112 CO 0.31 -3.11 -0.08 -0.94 0.41 0.00 0.00 173.24 169.83 2cqv s SER 113 N -3.41 4.00 0.00 2.44 1.04 -1.26 -5.25 113.70 111.26 2cqv s SER 113 Ca 0.65 -0.95 0.15 0.00 0.48 0.00 0.00 55.95 56.28 2cqv s SER 113 Cb -0.19 -0.50 0.88 0.00 0.10 0.00 0.00 66.02 66.32 2cqv s SER 113 CO 0.58 -0.08 1.30 0.61 0.98 0.00 0.00 173.24 176.63