#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 5.52 -4.76 1.61 7.64 -1.26 -4.92 113.62 117.46 2cqv n SER 2 Ca 0.00 -2.54 -0.30 0.00 1.01 0.00 0.00 58.87 57.04 2cqv n SER 2 Cb 0.00 -1.18 0.12 0.00 -1.01 0.00 0.00 64.21 62.14 2cqv n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cqv s SER 3 N 1.70 3.96 0.00 6.43 0.15 -1.26 -5.08 113.70 119.60 2cqv s SER 3 Ca 0.18 1.45 0.00 0.00 0.70 0.00 0.00 55.95 58.28 2cqv s SER 3 Cb 0.10 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 2cqv s SER 3 CO -0.01 -2.33 0.00 0.61 1.20 0.00 0.00 173.24 172.72 2cqv n GLY 4 N -1.51 6.24 3.69 9.45 0.00 -1.26 -5.11 105.19 116.69 2cqv n GLY 4 Ca 0.07 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 2cqv n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqv s SER 5 N 1.00 7.20 -0.03 1.61 0.01 -1.26 -5.04 113.70 117.19 2cqv s SER 5 Ca 0.00 1.59 0.05 0.00 1.31 0.00 0.00 55.95 58.90 2cqv s SER 5 Cb 0.00 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 2cqv s SER 5 CO 0.00 -0.49 -0.17 -0.44 0.41 0.00 0.00 173.24 172.55 2cqv s SER 6 N 1.19 2.11 1.04 2.44 0.01 -1.26 -5.07 113.70 114.16 2cqv s SER 6 Ca 0.50 -0.34 -0.23 0.00 1.31 0.00 0.00 55.95 57.19 2cqv s SER 6 Cb -0.20 -0.43 -0.07 0.00 0.21 0.00 0.00 66.02 65.53 2cqv s SER 6 CO 0.18 0.18 -0.85 0.61 0.41 0.00 0.00 173.24 173.78 2cqv n GLY 7 N 2.92 -2.91 3.74 3.44 0.00 -1.26 -3.88 105.19 107.24 2cqv n GLY 7 Ca -0.17 -0.44 -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 -2.60 4.40 0.04 1.61 0.04 -1.26 -4.44 135.00 132.79 2cqv s PRO 8 Ca 0.45 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.52 2cqv s PRO 8 Cb -0.01 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.31 2cqv s PRO 8 CO 0.67 -0.23 -0.01 1.14 0.04 0.00 0.00 177.00 178.61 2cqv s GLN 9 N -0.20 0.52 -0.56 4.56 -2.07 -0.79 -4.27 119.66 116.85 2cqv s GLN 9 Ca 0.56 -0.99 -0.07 0.00 -1.82 0.00 0.00 55.36 53.04 2cqv s GLN 9 Cb -0.36 0.19 0.14 0.00 -1.09 0.00 0.00 33.01 31.89 2cqv s GLN 9 CO 0.39 -0.10 0.41 0.42 -1.32 0.00 0.00 175.29 175.09 2cqv s ILE 10 N -3.08 4.10 0.12 3.63 1.01 -1.26 -2.04 121.20 123.68 2cqv s ILE 10 Ca -0.01 -2.28 0.03 0.00 0.00 0.00 0.00 60.65 58.39 2cqv s ILE 10 Cb 0.02 -3.68 -0.21 0.00 0.01 0.00 0.00 42.46 38.60 2cqv s ILE 10 CO -0.07 -0.83 1.27 0.16 0.00 0.00 0.00 174.94 175.48 2cqv h ILE 11 N 5.73 1.61 -3.75 2.92 -2.65 -1.92 -3.45 117.51 115.99 2cqv h ILE 11 Ca -0.10 -3.12 -0.62 0.00 1.03 0.00 0.00 64.86 62.05 2cqv h ILE 11 Cb 1.03 2.78 -0.32 0.00 -2.05 0.00 0.00 36.82 38.25 2cqv h ILE 11 CO 0.78 0.90 -0.86 -1.10 0.03 0.00 0.00 178.15 177.90 2cqv s GLN 12 N -2.83 2.25 -0.28 0.16 1.11 -1.25 -5.03 119.66 113.80 2cqv s GLN 12 Ca -0.01 -0.72 -0.24 0.00 0.01 0.00 0.00 55.36 54.39 2cqv s GLN 12 Cb 0.09 -1.86 0.13 0.00 -1.01 0.00 0.00 33.01 30.36 2cqv s GLN 12 CO 0.84 0.24 1.06 0.12 0.01 0.00 0.00 175.29 177.55 2cqv s PHE 13 N 0.12 -0.45 0.29 0.91 5.36 -1.26 -1.97 117.98 120.97 2cqv s PHE 13 Ca -0.08 1.09 -0.29 0.00 -0.96 0.00 0.00 56.93 56.69 2cqv s PHE 13 Cb -0.14 0.37 -0.10 0.00 -0.34 0.00 0.00 43.02 42.81 2cqv s PHE 13 CO 0.04 -0.22 1.24 -1.25 -1.46 0.00 0.00 175.22 173.58 2cqv s PRO 14 N 0.28 4.45 0.51 10.12 0.04 -1.26 -5.05 135.00 144.09 2cqv s PRO 14 Ca 0.03 2.05 0.09 0.00 0.04 0.00 0.00 61.00 63.21 2cqv s PRO 14 Cb -0.05 -3.13 0.05 0.00 0.04 0.00 0.00 34.50 31.41 2cqv s PRO 14 CO -0.07 -0.08 0.69 -1.21 0.04 0.00 0.00 177.00 176.37 2cqv s GLU 15 N -1.32 2.52 -0.36 4.56 2.02 -1.26 -4.59 118.70 120.28 2cqv s GLU 15 Ca 0.49 -1.48 -0.33 0.00 0.02 0.00 0.00 54.97 53.67 2cqv s GLU 15 Cb -0.37 -2.68 -0.14 0.00 0.10 0.00 0.00 34.13 31.04 2cqv s GLU 15 CO 0.46 -0.61 1.33 -0.40 0.02 0.00 0.00 175.26 176.06 2cqv n ASP 16 N -2.07 0.71 -3.87 -0.19 5.75 -1.26 -4.67 116.55 110.95 2cqv n ASP 16 Ca 0.12 0.68 -0.20 0.00 -0.01 0.00 0.00 54.79 55.38 2cqv n ASP 16 Cb 0.61 -0.64 -0.09 0.00 -1.03 0.00 0.00 41.12 39.97 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 3.16 1.68 0.41 0.11 -2.07 -0.23 -4.93 119.66 117.80 2cqv s GLN 17 Ca 0.80 -1.97 0.05 0.00 -1.82 0.00 0.00 55.36 52.41 2cqv s GLN 17 Cb -1.07 -0.08 -0.06 0.00 -1.09 0.00 0.00 33.01 30.71 2cqv s GLN 17 CO 0.53 -0.50 0.03 0.21 -1.32 0.00 0.00 175.29 174.24 2cqv s LYS 18 N -3.72 1.94 -0.26 9.60 2.20 -1.26 -2.45 119.74 125.79 2cqv s LYS 18 Ca 0.35 -2.14 -0.25 0.00 -0.36 0.00 0.00 55.97 53.57 2cqv s LYS 18 Cb 0.04 -1.37 0.07 0.00 -1.51 0.00 0.00 37.83 35.06 2cqv s LYS 18 CO 0.19 -0.18 0.72 0.54 -0.36 0.00 0.00 175.35 176.27 2cqv s VAL 19 N -2.91 0.00 -0.42 4.02 0.11 0.91 -4.84 120.40 117.28 2cqv s VAL 19 Ca 0.28 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.04 2cqv s VAL 19 Cb 0.07 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.95 2cqv s VAL 19 CO 0.14 0.00 1.12 -0.13 -3.33 0.00 0.00 175.10 172.90 2cqv s ARG 20 N 0.30 3.85 -0.35 1.54 1.81 -1.26 -0.48 118.95 124.36 2cqv s ARG 20 Ca -0.00 0.76 -0.31 0.00 -1.72 0.00 0.00 55.73 54.45 2cqv s ARG 20 Cb -0.05 -3.85 -0.13 0.00 -0.45 0.00 0.00 34.95 30.47 2cqv s ARG 20 CO 0.01 -1.21 1.51 0.00 -0.68 0.00 0.00 175.30 174.93 2cqv n ALA 21 N 7.50 0.14 0.00 2.13 0.00 0.65 -0.12 120.51 130.81 2cqv n ALA 21 Ca 0.12 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2cqv n ALA 21 Cb 0.48 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 5.26 1.21 3.97 0.00 0.00 0.16 -4.85 105.19 110.95 2cqv n GLY 22 Ca 0.39 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.19 2cqv n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cqv s GLU 23 N -0.52 2.37 -0.19 1.61 0.41 0.82 -4.53 118.70 118.68 2cqv s GLU 23 Ca 0.00 -1.70 -0.03 0.00 -0.41 0.00 0.00 54.97 52.83 2cqv s GLU 23 Cb 0.00 -2.46 -0.01 0.00 -1.78 0.00 0.00 34.13 29.88 2cqv s GLU 23 CO 0.00 -0.65 -0.07 -1.54 -0.49 0.00 0.00 175.26 172.51 2cqv s SER 24 N -4.45 4.20 0.08 -0.19 1.04 -1.26 -2.07 113.70 111.05 2cqv s SER 24 Ca 0.51 -0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.64 2cqv s SER 24 Cb -0.05 -1.70 -0.04 0.00 0.10 0.00 0.00 66.02 64.34 2cqv s SER 24 CO 0.32 0.04 -0.09 0.54 0.98 0.00 0.00 173.24 175.04 2cqv s VAL 25 N 1.08 3.47 -0.27 5.02 0.11 -1.13 -4.98 120.40 123.70 2cqv s VAL 25 Ca 0.01 -1.16 -0.01 0.00 -2.93 0.00 0.00 61.98 57.89 2cqv s VAL 25 Cb -0.15 -2.60 0.08 0.00 -1.53 0.00 0.00 36.38 32.18 2cqv s VAL 25 CO -0.01 0.16 0.05 -1.61 -3.33 0.00 0.00 175.10 170.37 2cqv s GLU 26 N -2.07 0.92 -0.55 1.54 2.02 -1.26 -2.26 118.70 117.03 2cqv s GLU 26 Ca 0.21 -0.98 -0.13 0.00 0.02 0.00 0.00 54.97 54.10 2cqv s GLU 26 Cb -0.11 -2.21 0.14 0.00 0.10 0.00 0.00 34.13 32.05 2cqv s GLU 26 CO 0.13 -0.84 0.47 -0.51 0.02 0.00 0.00 175.26 174.53 2cqv s LEU 27 N 1.58 6.03 -0.18 1.80 1.43 -1.09 -4.94 118.68 123.30 2cqv s LEU 27 Ca 0.05 -1.98 -0.06 0.00 -1.03 0.00 0.00 54.13 51.11 2cqv s LEU 27 Cb -0.18 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 2cqv s LEU 27 CO -0.17 -0.75 0.03 0.12 0.23 0.00 0.00 176.35 175.81 2cqv s PHE 28 N 1.29 3.17 -0.53 0.29 5.36 -1.26 -1.09 117.98 125.21 2cqv s PHE 28 Ca 0.06 -0.07 0.01 0.00 -0.96 0.00 0.00 56.93 55.97 2cqv s PHE 28 Cb -0.26 -2.05 0.14 0.00 -0.34 0.00 0.00 43.02 40.51 2cqv s PHE 28 CO 0.00 0.07 0.30 0.20 -1.46 0.00 0.00 175.22 174.33 2cqv s GLY 29 N 0.42 2.37 0.15 13.12 0.00 -0.56 -4.34 107.32 118.48 2cqv s GLY 29 Ca 0.01 -3.11 -0.34 0.00 0.00 0.00 0.00 44.72 41.27 2cqv s GLY 29 CO 0.01 1.04 1.53 1.17 0.00 0.00 0.00 173.10 176.85 2cqv n LYS 30 N 3.53 1.98 -4.82 2.90 4.81 -0.83 -3.78 118.16 121.95 2cqv n LYS 30 Ca 0.05 0.72 -0.26 0.00 -0.87 0.00 0.00 58.31 57.95 2cqv n LYS 30 Cb 0.36 -2.46 -0.15 0.00 0.02 0.00 0.00 35.03 32.80 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 0.81 1.53 0.15 3.15 -7.23 0.49 -3.09 120.40 116.21 2cqv s VAL 31 Ca 0.79 -0.93 0.06 0.00 -1.81 0.00 0.00 61.98 60.10 2cqv s VAL 31 Cb -0.72 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 2cqv s VAL 31 CO 0.40 0.35 -0.13 0.28 -0.31 0.00 0.00 175.10 175.68 2cqv s THR 32 N -0.56 1.40 0.00 5.32 -1.32 -0.86 -4.67 115.64 114.95 2cqv s THR 32 Ca 0.07 -1.96 0.00 0.00 -1.21 0.00 0.00 61.69 58.59 2cqv s THR 32 Cb -0.08 -1.77 0.00 0.00 -1.51 0.00 0.00 72.50 69.14 2cqv s THR 32 CO 0.00 -0.57 0.00 0.61 -2.21 0.00 0.00 174.62 172.46 2cqv n GLY 33 N 0.06 0.04 2.67 6.08 0.00 -1.26 -1.89 105.19 110.88 2cqv n GLY 33 Ca -0.12 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 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 0.11 0.59 2.61 2.01 -1.25 -4.64 115.64 115.07 2cqv s THR 34 Ca 0.00 -0.13 -0.15 0.00 0.31 0.00 0.00 61.69 61.71 2cqv s THR 34 Cb 0.00 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 2cqv s THR 34 CO 0.00 -0.13 1.05 -1.10 -0.69 0.00 0.00 174.62 173.75 2cqv s GLN 35 N 2.06 3.39 0.76 4.92 -1.52 -1.26 -4.34 119.66 123.67 2cqv s GLN 35 Ca 0.02 1.14 -0.11 0.00 -1.95 0.00 0.00 55.36 54.46 2cqv s GLN 35 Cb -0.15 -2.05 0.05 0.00 -0.22 0.00 0.00 33.01 30.64 2cqv s GLN 35 CO -0.07 -0.75 1.09 -1.25 -0.25 0.00 0.00 175.29 174.06 2cqv s PRO 36 N -4.17 2.31 -0.08 2.91 0.04 -1.26 -5.09 135.00 129.66 2cqv s PRO 36 Ca 0.62 1.19 -0.01 0.00 0.04 0.00 0.00 61.00 62.84 2cqv s PRO 36 Cb -0.15 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.52 2cqv s PRO 36 CO 0.38 -1.61 -0.01 0.42 0.04 0.00 0.00 177.00 176.21 2cqv s ILE 37 N -2.85 0.50 0.54 0.56 1.01 -1.26 -4.66 121.20 115.04 2cqv s ILE 37 Ca 0.62 0.04 -0.20 0.00 0.00 0.00 0.00 60.65 61.10 2cqv s ILE 37 Cb -0.17 -0.62 -0.06 0.00 0.01 0.00 0.00 42.46 41.62 2cqv s ILE 37 CO 0.55 0.28 1.16 -0.89 0.00 0.00 0.00 174.94 176.04 2cqv s THR 38 N 1.86 2.99 -0.23 2.92 2.01 0.12 -4.92 115.64 120.38 2cqv s THR 38 Ca 0.04 0.65 -0.03 0.00 0.31 0.00 0.00 61.69 62.66 2cqv s THR 38 Cb -0.12 -3.28 0.12 0.00 0.01 0.00 0.00 72.50 69.22 2cqv s THR 38 CO -0.05 -0.10 0.29 0.00 -0.69 0.00 0.00 174.62 174.07 2cqv s THR 40 N 2.42 2.39 -0.28 0.00 2.01 0.64 -4.98 115.64 117.83 2cqv s THR 40 Ca 0.10 -0.91 -0.10 0.00 0.31 0.00 0.00 61.69 61.08 2cqv s THR 40 Cb -0.15 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 2cqv s THR 40 CO -0.16 0.55 0.17 0.26 -0.69 0.00 0.00 174.62 174.75 2cqv s TRP 41 N 0.25 3.20 0.36 4.92 0.52 -1.26 -0.54 118.94 126.38 2cqv s TRP 41 Ca -0.14 -0.03 0.04 0.00 0.02 0.00 0.00 56.10 55.99 2cqv s TRP 41 Cb -0.17 -2.36 -0.06 0.00 -1.15 0.00 0.00 33.47 29.73 2cqv s TRP 41 CO 0.07 -0.22 0.05 -1.64 0.02 0.00 0.00 176.95 175.23 2cqv s MET 42 N 1.73 1.76 -0.20 4.98 -1.94 0.31 -1.80 119.30 124.14 2cqv s MET 42 Ca 0.07 -2.00 -0.08 0.00 -1.71 0.00 0.00 55.69 51.97 2cqv s MET 42 Cb -0.16 -1.04 0.09 0.00 2.01 0.00 0.00 34.83 35.72 2cqv s MET 42 CO 0.09 -0.19 0.44 0.21 -0.01 0.00 0.00 175.02 175.57 2cqv s LYS 43 N -3.84 0.37 -1.07 2.03 2.20 0.89 0.26 119.74 120.57 2cqv s LYS 43 Ca 0.34 1.01 -0.07 0.00 -0.36 0.00 0.00 55.97 56.90 2cqv s LYS 43 Cb 0.08 0.28 0.01 0.00 -1.51 0.00 0.00 37.83 36.69 2cqv s LYS 43 CO 0.15 -0.22 0.93 1.19 -0.36 0.00 0.00 175.35 177.05 2cqv n PHE 44 N 5.10 -2.26 -2.58 4.03 3.72 -1.07 -2.26 117.46 122.15 2cqv n PHE 44 Ca -0.12 0.81 -0.18 0.00 -0.05 0.00 0.00 57.45 57.90 2cqv n PHE 44 Cb 0.51 -4.23 0.01 0.00 -0.94 0.00 0.00 39.48 34.83 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 -4.04 -2.59 -3.79 -1.08 5.12 -1.26 -5.00 116.66 104.02 2cqv n ARG 45 Ca -0.01 0.80 -0.16 0.00 -1.93 0.00 0.00 57.85 56.55 2cqv n ARG 45 Cb 0.55 -5.28 -0.16 0.00 -1.16 0.00 0.00 32.46 26.41 2cqv n ARG 45 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2cqv s LYS 46 N -5.15 0.04 0.22 5.56 3.01 -0.96 -5.13 119.74 117.34 2cqv s LYS 46 Ca 0.11 0.19 -0.31 0.00 -1.01 0.00 0.00 55.97 54.95 2cqv s LYS 46 Cb -0.05 -0.34 -0.10 0.00 -1.01 0.00 0.00 37.83 36.33 2cqv s LYS 46 CO 0.14 -0.18 1.54 -1.14 0.51 0.00 0.00 175.35 176.21 2cqv s GLN 47 N 1.20 4.21 0.45 1.68 0.74 -1.26 -0.08 119.66 126.61 2cqv s GLN 47 Ca -0.07 2.39 -0.21 0.00 0.05 0.00 0.00 55.36 57.52 2cqv s GLN 47 Cb -0.13 -3.11 -0.10 0.00 1.10 0.00 0.00 33.01 30.77 2cqv s GLN 47 CO -0.03 -0.55 0.99 0.42 -0.55 0.00 0.00 175.29 175.57 2cqv s ILE 48 N 0.54 4.12 -0.23 -2.34 1.01 -0.74 -4.87 121.20 118.69 2cqv s ILE 48 Ca 0.65 1.33 -0.06 0.00 0.00 0.00 0.00 60.65 62.57 2cqv s ILE 48 Cb -0.44 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 2cqv s ILE 48 CO 0.38 -0.28 0.04 0.00 0.00 0.00 0.00 174.94 175.08 2cqv s GLN 49 N -3.20 3.60 0.24 2.79 -2.07 -1.26 -4.96 119.66 114.80 2cqv s GLN 49 Ca 0.64 -0.51 -0.31 0.00 -1.82 0.00 0.00 55.36 53.36 2cqv s GLN 49 Cb -0.12 -3.22 -0.12 0.00 -1.09 0.00 0.00 33.01 28.46 2cqv s GLN 49 CO 0.16 -0.15 1.66 0.39 -1.32 0.00 0.00 175.29 176.03 2cqv n GLU 50 N 4.76 2.68 -3.62 9.60 1.02 -1.26 -4.62 120.64 129.20 2cqv n GLU 50 Ca -0.17 0.96 -0.02 0.00 -0.02 0.00 0.00 57.16 57.92 2cqv n GLU 50 Cb 0.51 -2.77 -0.01 0.00 -0.02 0.00 0.00 31.44 29.15 2cqv n GLU 50 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2cqv s SER 51 N 0.87 -0.12 0.48 1.62 1.04 0.11 -4.94 113.70 112.76 2cqv s SER 51 Ca 0.71 -0.11 0.18 0.00 0.48 0.00 0.00 55.95 57.21 2cqv s SER 51 Cb -0.52 0.21 0.98 0.00 0.10 0.00 0.00 66.02 66.79 2cqv s SER 51 CO 0.39 -0.36 1.49 -0.08 0.98 0.00 0.00 173.24 175.66 2cqv h GLU 52 N 2.00 0.00 0.14 4.02 4.57 -1.97 0.57 114.58 123.91 2cqv h GLU 52 Ca -0.22 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.61 2cqv h GLU 52 Cb 1.20 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 2cqv h GLU 52 CO 0.26 0.00 -1.87 0.45 -1.18 0.00 0.00 179.01 176.68 2cqv h HIS 53 N 0.00 0.52 -3.05 0.92 3.86 -1.91 -3.37 115.15 112.12 2cqv h HIS 53 Ca 0.00 -0.38 -0.52 0.00 -1.16 0.00 0.00 60.37 58.31 2cqv h HIS 53 Cb 0.76 -0.02 -0.40 0.00 1.06 0.00 0.00 27.41 28.81 2cqv h HIS 53 CO 0.00 1.67 -0.76 -1.64 0.86 0.00 0.00 177.93 178.06 2cqv s MET 54 N -2.57 0.38 0.34 2.45 -1.94 0.20 -0.44 119.30 117.72 2cqv s MET 54 Ca -0.18 -0.49 0.07 0.00 -1.71 0.00 0.00 55.69 53.38 2cqv s MET 54 Cb 0.06 -1.73 -0.01 0.00 2.01 0.00 0.00 34.83 35.16 2cqv s MET 54 CO 0.81 -0.83 0.43 0.15 -0.01 0.00 0.00 175.02 175.57 2cqv s LYS 55 N 1.96 3.01 -0.04 2.03 1.02 0.67 0.05 119.74 128.43 2cqv s LYS 55 Ca 0.05 -1.09 -0.01 0.00 0.02 0.00 0.00 55.97 54.93 2cqv s LYS 55 Cb -0.17 -2.73 0.03 0.00 -0.52 0.00 0.00 37.83 34.44 2cqv s LYS 55 CO -0.20 0.05 0.07 0.08 -0.92 0.00 0.00 175.35 174.42 2cqv s VAL 56 N -2.22 -0.09 -1.00 3.17 1.01 -1.26 -1.46 120.40 118.56 2cqv s VAL 56 Ca 0.45 0.30 -0.04 0.00 0.00 0.00 0.00 61.98 62.68 2cqv s VAL 56 Cb -0.09 -0.14 0.26 0.00 0.00 0.00 0.00 36.38 36.41 2cqv s VAL 56 CO 0.30 0.12 1.05 1.21 0.00 0.00 0.00 175.10 177.79 2cqv n GLU 57 N 4.67 3.35 -2.08 2.72 2.13 0.82 -4.93 120.64 127.32 2cqv n GLU 57 Ca -0.17 -4.50 -0.42 0.00 0.66 0.00 0.00 57.16 52.72 2cqv n GLU 57 Cb 0.50 -2.47 -0.03 0.00 0.27 0.00 0.00 31.44 29.71 2cqv n GLU 57 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2cqv s ASN 58 N -0.16 6.73 0.13 4.31 2.20 -1.26 -3.06 114.94 123.82 2cqv s ASN 58 Ca 0.31 2.21 -0.15 0.00 -0.94 0.00 0.00 52.86 54.29 2cqv s ASN 58 Cb -0.04 -2.55 0.03 0.00 -2.00 0.00 0.00 41.25 36.69 2cqv s ASN 58 CO -0.05 -0.85 0.37 -0.44 -2.94 0.00 0.00 177.10 173.19 2cqv s SER 59 N 2.63 -0.16 0.16 3.54 0.01 0.52 -5.01 113.70 115.39 2cqv s SER 59 Ca 0.69 -0.41 -0.29 0.00 1.31 0.00 0.00 55.95 57.25 2cqv s SER 59 Cb -0.33 0.46 -0.03 0.00 0.21 0.00 0.00 66.02 66.32 2cqv s SER 59 CO 0.28 -0.85 1.54 -0.08 0.41 0.00 0.00 173.24 174.55 2cqv h GLU 60 N 2.42 -0.06 -0.99 12.44 4.81 -1.95 0.59 114.58 131.85 2cqv h GLU 60 Ca -0.34 0.00 0.34 0.00 -0.13 0.00 0.00 59.36 59.24 2cqv h GLU 60 Cb 1.25 0.01 -0.16 0.00 0.63 0.00 0.00 28.75 30.48 2cqv h GLU 60 CO 0.48 -0.04 0.50 -0.91 -0.73 0.00 0.00 179.01 178.31 2cqv h ASN 61 N -0.06 0.35 0.00 1.04 2.35 -1.97 -3.44 115.58 113.85 2cqv h ASN 61 Ca 0.17 0.22 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 2cqv h ASN 61 Cb 0.46 0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.04 2cqv h ASN 61 CO -0.89 -0.25 0.00 0.61 -1.65 0.00 0.00 177.43 175.25 2cqv n GLY 62 N -1.30 -0.56 2.97 2.83 0.00 0.21 -0.38 105.19 108.96 2cqv n GLY 62 Ca 0.32 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.11 -0.14 1.61 0.15 -1.25 -0.36 113.70 109.60 2cqv s SER 63 Ca 0.00 0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.90 2cqv s SER 63 Cb 0.00 0.22 0.02 0.00 -1.71 0.00 0.00 66.02 64.55 2cqv s SER 63 CO 0.00 -0.06 -0.17 -0.75 1.20 0.00 0.00 173.24 173.46 2cqv s LYS 64 N 0.30 2.53 -0.50 5.44 2.20 -1.17 -1.50 119.74 127.04 2cqv s LYS 64 Ca -0.02 -0.66 -0.15 0.00 -0.36 0.00 0.00 55.97 54.78 2cqv s LYS 64 Cb -0.03 -2.19 0.10 0.00 -1.51 0.00 0.00 37.83 34.20 2cqv s LYS 64 CO -0.01 -0.14 0.43 -1.17 -0.36 0.00 0.00 175.35 174.10 2cqv s LEU 65 N 1.19 5.88 -0.25 5.43 2.96 -0.25 -0.13 118.68 133.51 2cqv s LEU 65 Ca -0.00 -1.61 -0.18 0.00 -0.22 0.00 0.00 54.13 52.12 2cqv s LEU 65 Cb -0.14 -2.17 -0.03 0.00 0.50 0.00 0.00 46.19 44.35 2cqv s LEU 65 CO -0.07 -0.75 0.50 -0.89 -1.32 0.00 0.00 176.35 173.82 2cqv s THR 66 N 1.58 5.09 -0.24 3.68 2.01 -0.53 -2.69 115.64 124.53 2cqv s THR 66 Ca 0.04 0.86 -0.08 0.00 0.31 0.00 0.00 61.69 62.81 2cqv s THR 66 Cb -0.27 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2cqv s THR 66 CO 0.04 0.11 0.10 -0.63 -0.69 0.00 0.00 174.62 173.55 2cqv s ILE 67 N 2.19 4.66 0.21 1.82 1.01 -0.96 -0.24 121.20 129.89 2cqv s ILE 67 Ca 0.21 -0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.74 2cqv s ILE 67 Cb -0.16 -3.18 -0.06 0.00 0.01 0.00 0.00 42.46 39.08 2cqv s ILE 67 CO 0.09 0.34 0.47 -0.76 0.00 0.00 0.00 174.94 175.08 2cqv s LEU 68 N 1.41 4.19 -1.38 2.97 2.01 0.41 -2.84 118.68 125.45 2cqv s LEU 68 Ca 0.06 0.71 -0.15 0.00 0.01 0.00 0.00 54.13 54.75 2cqv s LEU 68 Cb -0.15 -3.47 0.02 0.00 0.01 0.00 0.00 46.19 42.61 2cqv s LEU 68 CO 0.05 -0.05 0.35 0.00 1.01 0.00 0.00 176.35 177.71 2cqv n ALA 69 N -0.25 -2.28 -1.07 4.21 0.00 -1.22 -4.57 120.51 115.32 2cqv n ALA 69 Ca -0.01 -0.47 -0.51 0.00 0.00 0.00 0.00 53.44 52.45 2cqv n ALA 69 Cb 0.53 -1.74 -0.10 0.00 0.00 0.00 0.00 19.45 18.13 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 -4.76 0.12 -2.12 0.00 0.00 -0.88 -4.30 120.51 108.57 2cqv n ALA 70 Ca -0.23 0.17 -0.21 0.00 0.00 0.00 0.00 53.44 53.17 2cqv n ALA 70 Cb 0.64 -1.74 0.02 0.00 0.00 0.00 0.00 19.45 18.37 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 4.91 2.76 0.27 0.00 0.52 -1.26 0.36 118.95 126.50 2cqv s ARG 71 Ca 1.00 -0.75 -0.04 0.00 -0.52 0.00 0.00 55.73 55.42 2cqv s ARG 71 Cb -1.26 -2.56 0.35 0.00 0.52 0.00 0.00 34.95 32.01 2cqv s ARG 71 CO 0.56 -0.49 1.93 0.37 0.02 0.00 0.00 175.30 177.70 2cqv h GLN 72 N 0.28 1.21 -0.44 3.54 5.75 -1.94 -2.49 115.11 121.02 2cqv h GLN 72 Ca -0.43 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 2cqv h GLN 72 Cb 1.28 -0.27 -0.02 0.00 1.07 0.00 0.00 27.48 29.53 2cqv h GLN 72 CO 0.53 0.80 0.28 1.05 -2.65 0.00 0.00 178.83 178.84 2cqv h GLU 73 N 1.25 0.58 -0.85 1.69 -0.00 -1.99 -2.33 114.58 112.93 2cqv h GLU 73 Ca 0.36 -0.04 0.35 0.00 -0.00 0.00 0.00 59.36 60.03 2cqv h GLU 73 Cb -0.08 -0.13 -0.14 0.00 -0.00 0.00 0.00 28.75 28.40 2cqv h GLU 73 CO -0.09 0.40 0.47 0.72 -0.00 0.00 0.00 179.01 180.51 2cqv n HIS 74 N -4.77 0.91 -1.71 2.06 8.25 -0.94 -4.42 115.22 114.61 2cqv n HIS 74 Ca 0.01 0.92 -0.64 0.00 -0.26 0.00 0.00 57.72 57.75 2cqv n HIS 74 Cb 0.03 -1.34 -0.09 0.00 1.12 0.00 0.00 29.99 29.71 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 3.72 1.39 3.82 0.00 0.00 -0.92 -4.98 105.19 108.23 2cqv n GLY 76 Ca 0.28 -1.24 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.09 1.60 -0.27 0.00 1.51 0.61 -2.58 117.35 117.11 2cqv s TYR 78 Ca 0.26 -0.86 -0.09 0.00 -1.01 0.00 0.00 57.07 55.37 2cqv s TYR 78 Cb -0.18 -1.89 0.12 0.00 -0.11 0.00 0.00 41.96 39.90 2cqv s TYR 78 CO 0.16 -0.46 0.59 0.99 -1.11 0.00 0.00 175.55 175.72 2cqv s THR 79 N -2.79 -0.91 -0.53 -0.71 2.01 0.14 -2.75 115.64 110.11 2cqv s THR 79 Ca 0.32 0.04 -0.16 0.00 0.31 0.00 0.00 61.69 62.20 2cqv s THR 79 Cb -0.02 -0.92 0.12 0.00 0.01 0.00 0.00 72.50 71.70 2cqv s THR 79 CO 0.20 0.02 0.48 -0.22 -0.69 0.00 0.00 174.62 174.41 2cqv s LEU 80 N 2.82 6.09 -0.19 4.42 2.96 -1.24 -0.53 118.68 133.01 2cqv s LEU 80 Ca -0.05 -1.74 -0.22 0.00 -0.22 0.00 0.00 54.13 51.90 2cqv s LEU 80 Cb -0.12 -2.20 -0.02 0.00 0.50 0.00 0.00 46.19 44.35 2cqv s LEU 80 CO -0.17 -0.83 0.70 -0.22 -1.32 0.00 0.00 176.35 174.51 2cqv s LEU 81 N 1.59 4.15 -0.28 -0.68 2.96 0.30 -2.70 118.68 124.02 2cqv s LEU 81 Ca 0.03 0.94 0.03 0.00 -0.22 0.00 0.00 54.13 54.91 2cqv s LEU 81 Cb -0.29 -3.01 0.07 0.00 0.50 0.00 0.00 46.19 43.46 2cqv s LEU 81 CO 0.03 -0.33 -0.06 0.68 -1.32 0.00 0.00 176.35 175.35 2cqv s VAL 82 N 2.05 2.11 0.20 1.68 -7.23 0.99 -0.26 120.40 119.93 2cqv s VAL 82 Ca 0.32 -1.75 0.06 0.00 -1.81 0.00 0.00 61.98 58.79 2cqv s VAL 82 Cb -0.16 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 2cqv s VAL 82 CO 0.11 -0.18 0.16 -1.61 -0.31 0.00 0.00 175.10 173.27 2cqv s GLU 83 N 1.09 2.90 -0.04 4.82 2.02 -1.06 -0.41 118.70 128.03 2cqv s GLU 83 Ca -0.04 -0.96 -0.29 0.00 0.02 0.00 0.00 54.97 53.70 2cqv s GLU 83 Cb -0.20 -2.60 0.09 0.00 0.10 0.00 0.00 34.13 31.53 2cqv s GLU 83 CO -0.06 0.45 0.80 1.21 0.02 0.00 0.00 175.26 177.67 2cqv s ASN 84 N -3.44 -0.50 0.39 -0.19 2.47 0.12 0.11 114.94 113.90 2cqv s ASN 84 Ca 0.32 0.37 0.31 0.00 0.42 0.00 0.00 52.86 54.27 2cqv s ASN 84 Cb -0.09 0.45 1.31 0.00 -1.45 0.00 0.00 41.25 41.47 2cqv s ASN 84 CO 0.24 -0.60 1.32 1.17 -3.72 0.00 0.00 177.10 175.52 2cqv n LYS 85 N 0.42 -0.02 0.00 0.43 4.81 -1.26 -1.29 118.16 121.24 2cqv n LYS 85 Ca -0.14 1.03 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 2cqv n LYS 85 Cb 0.60 -2.10 0.00 0.00 0.02 0.00 0.00 35.03 33.55 2cqv n LYS 85 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2cqv n LEU 86 N -4.24 0.50 0.00 3.14 4.77 -1.26 -5.06 117.00 114.86 2cqv n LEU 86 Ca 0.35 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.88 2cqv n LEU 86 Cb 1.41 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 2cqv n LEU 86 CO 0.20 -0.37 0.00 0.61 -1.33 0.00 0.00 177.39 176.50 2cqv n GLY 87 N 1.04 5.04 3.71 -0.72 0.00 -0.41 -4.91 105.19 108.94 2cqv n GLY 87 Ca 0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 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 1.31 -0.31 0.25 1.61 1.04 -1.26 0.11 113.70 116.45 2cqv s SER 88 Ca 0.00 -0.50 -0.21 0.00 0.48 0.00 0.00 55.95 55.73 2cqv s SER 88 Cb 0.00 0.67 0.03 0.00 0.10 0.00 0.00 66.02 66.82 2cqv s SER 88 CO 0.00 -1.22 0.67 -0.60 0.98 0.00 0.00 173.24 173.07 2cqv s ARG 89 N -3.89 1.66 -0.28 4.02 6.06 0.46 -4.77 118.95 122.21 2cqv s ARG 89 Ca 0.10 -0.90 -0.22 0.00 -2.50 0.00 0.00 55.73 52.21 2cqv s ARG 89 Cb -0.04 0.59 0.08 0.00 0.06 0.00 0.00 34.95 35.65 2cqv s ARG 89 CO 0.02 -0.75 0.75 1.14 -2.50 0.00 0.00 175.30 173.97 2cqv s GLN 90 N -3.89 0.74 0.29 5.12 -2.07 -1.26 -0.01 119.66 118.58 2cqv s GLN 90 Ca 0.10 1.02 0.03 0.00 -1.82 0.00 0.00 55.36 54.68 2cqv s GLN 90 Cb -0.04 0.29 0.03 0.00 -1.09 0.00 0.00 33.01 32.19 2cqv s GLN 90 CO 0.03 -0.11 0.22 0.00 -1.32 0.00 0.00 175.29 174.11 2cqv n ALA 91 N 3.23 0.45 -3.67 2.60 0.00 -1.10 -4.92 120.51 117.11 2cqv n ALA 91 Ca -0.16 -1.15 -0.08 0.00 0.00 0.00 0.00 53.44 52.05 2cqv n ALA 91 Cb 0.57 0.47 -0.09 0.00 0.00 0.00 0.00 19.45 20.40 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 -3.18 0.45 -0.03 0.00 -0.21 -1.26 -3.65 119.66 111.78 2cqv s GLN 92 Ca 0.17 1.05 0.00 0.00 0.02 0.00 0.00 55.36 56.60 2cqv s GLN 92 Cb -0.01 0.26 0.03 0.00 1.00 0.00 0.00 33.01 34.29 2cqv s GLN 92 CO 0.11 -0.19 -0.01 0.54 -2.12 0.00 0.00 175.29 173.62 2cqv s VAL 93 N 2.08 0.23 0.19 1.09 0.11 -1.11 -4.82 120.40 118.18 2cqv s VAL 93 Ca -0.06 0.06 -0.16 0.00 -2.93 0.00 0.00 61.98 58.89 2cqv s VAL 93 Cb -0.10 -0.32 -0.08 0.00 -1.53 0.00 0.00 36.38 34.36 2cqv s VAL 93 CO -0.15 0.16 0.62 0.20 -3.33 0.00 0.00 175.10 172.60 2cqv s ASN 94 N 1.05 6.89 0.10 3.54 0.01 -1.26 -0.29 114.94 124.98 2cqv s ASN 94 Ca -0.09 1.20 0.05 0.00 -0.71 0.00 0.00 52.86 53.30 2cqv s ASN 94 Cb -0.14 -2.34 -0.03 0.00 0.41 0.00 0.00 41.25 39.15 2cqv s ASN 94 CO -0.02 0.04 -0.12 -0.22 -1.51 0.00 0.00 177.10 175.28 2cqv s LEU 95 N -2.10 2.38 -0.07 0.60 2.96 -0.35 -1.07 118.68 121.02 2cqv s LEU 95 Ca 0.41 -0.77 -0.06 0.00 -0.22 0.00 0.00 54.13 53.50 2cqv s LEU 95 Cb -0.15 -0.42 0.03 0.00 0.50 0.00 0.00 46.19 46.15 2cqv s LEU 95 CO 0.20 -0.19 0.19 -0.89 -1.32 0.00 0.00 176.35 174.34 2cqv s THR 96 N -2.10 -0.02 -0.12 3.68 2.01 -1.02 -2.16 115.64 115.91 2cqv s THR 96 Ca 0.05 0.06 -0.05 0.00 0.31 0.00 0.00 61.69 62.06 2cqv s THR 96 Cb -0.05 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 2cqv s THR 96 CO 0.01 0.02 0.05 -0.69 -0.69 0.00 0.00 174.62 173.33 2cqv s VAL 97 N 0.49 4.74 -0.06 3.82 1.01 -1.26 -0.06 120.40 129.09 2cqv s VAL 97 Ca -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 2cqv s VAL 97 Cb -0.05 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.31 2cqv s VAL 97 CO -0.02 0.57 -0.01 0.68 0.00 0.00 0.00 175.10 176.32 2cqv s VAL 98 N -0.61 0.40 -2.09 2.92 -7.23 0.37 -4.84 120.40 109.33 2cqv s VAL 98 Ca 0.11 0.07 0.14 0.00 -1.81 0.00 0.00 61.98 60.49 2cqv s VAL 98 Cb -0.12 -0.52 0.37 0.00 0.56 0.00 0.00 36.38 36.67 2cqv s VAL 98 CO 0.02 0.25 1.36 -0.67 -0.31 0.00 0.00 175.10 175.75 2cqv n ASP 99 N 4.86 1.91 -3.82 4.85 2.03 -1.26 -0.25 116.55 124.87 2cqv n ASP 99 Ca -0.12 -1.91 -0.12 0.00 0.52 0.00 0.00 54.79 53.16 2cqv n ASP 99 Cb 0.50 -0.21 -0.10 0.00 -0.72 0.00 0.00 41.12 40.60 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 -1.59 0.50 1.21 -0.67 3.01 -1.26 -4.95 119.74 116.00 2cqv s LYS 100 Ca 0.27 -0.20 -0.20 0.00 -1.01 0.00 0.00 55.97 54.83 2cqv s LYS 100 Cb 0.14 0.22 0.29 0.00 -1.01 0.00 0.00 37.83 37.48 2cqv s LYS 100 CO 0.20 -0.12 1.11 -1.25 0.51 0.00 0.00 175.35 175.80 2cqv s PRO 101 N -1.09 -1.33 0.64 -1.68 0.04 -1.26 -4.98 135.00 125.33 2cqv s PRO 101 Ca -0.12 -0.10 -0.18 0.00 0.04 0.00 0.00 61.00 60.64 2cqv s PRO 101 Cb -0.06 -1.59 -0.02 0.00 0.04 0.00 0.00 34.50 32.88 2cqv s PRO 101 CO 0.02 -3.77 1.28 -0.51 0.04 0.00 0.00 177.00 174.06 2cqv s ASP 102 N -3.92 4.71 0.65 6.66 1.11 -1.26 -4.98 116.67 119.65 2cqv s ASP 102 Ca 0.71 2.58 -0.15 0.00 0.18 0.00 0.00 52.55 55.87 2cqv s ASP 102 Cb -0.09 -2.62 -0.01 0.00 1.07 0.00 0.00 42.92 41.28 2cqv s ASP 102 CO 0.56 -1.93 1.11 -2.16 1.18 0.00 0.00 175.17 173.93 2cqv s PRO 103 N -3.37 2.85 0.22 8.23 0.04 -1.26 -4.99 135.00 136.72 2cqv s PRO 103 Ca 0.82 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 2cqv s PRO 103 Cb -0.36 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 2cqv s PRO 103 CO 0.38 -1.21 1.29 -1.25 0.04 0.00 0.00 177.00 176.25 2cqv s PRO 104 N -4.02 4.41 -0.24 0.56 0.04 -1.26 -4.96 135.00 129.53 2cqv s PRO 104 Ca 0.67 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 63.62 2cqv s PRO 104 Cb -0.21 -3.18 -0.10 0.00 0.04 0.00 0.00 34.50 31.05 2cqv s PRO 104 CO 0.40 -0.20 -0.33 0.00 0.04 0.00 0.00 177.00 176.91 2cqv n ALA 105 N 2.31 1.29 0.00 8.56 0.00 -1.26 -5.14 120.51 126.27 2cqv n ALA 105 Ca 0.05 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.53 2cqv n ALA 105 Cb 0.43 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 1.45 0.21 3.08 0.00 0.00 -1.26 -5.13 105.19 103.54 2cqv n GLY 106 Ca -0.42 -1.60 -0.19 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.71 0.88 0.13 2.61 -1.32 -1.26 -5.13 115.64 108.84 2cqv s THR 107 Ca 0.00 -0.75 -0.31 0.00 -1.21 0.00 0.00 61.69 59.43 2cqv s THR 107 Cb 0.00 -0.79 -0.08 0.00 -1.51 0.00 0.00 72.50 70.12 2cqv s THR 107 CO 0.00 0.05 1.35 -2.16 -2.21 0.00 0.00 174.62 171.65 2cqv s PRO 108 N -0.79 4.35 -0.18 7.08 0.04 -1.26 -5.02 135.00 139.22 2cqv s PRO 108 Ca 0.01 2.03 -0.07 0.00 0.04 0.00 0.00 61.00 63.01 2cqv s PRO 108 Cb -0.06 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 2cqv s PRO 108 CO 0.00 -0.37 0.05 0.45 0.04 0.00 0.00 177.00 177.18 2cqv s SER 109 N 0.90 5.55 -0.04 6.66 0.15 -1.26 -4.77 113.70 120.89 2cqv s SER 109 Ca 0.62 0.06 -0.01 0.00 0.70 0.00 0.00 55.95 57.32 2cqv s SER 109 Cb -0.36 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 2cqv s SER 109 CO 0.32 0.17 0.04 0.61 1.20 0.00 0.00 173.24 175.58 2cqv n GLY 110 N 3.55 -1.61 3.61 9.45 0.00 -1.26 -5.06 105.19 113.87 2cqv n GLY 110 Ca -0.17 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.79 -0.94 0.07 1.61 0.04 -1.26 -5.05 135.00 128.67 2cqv s PRO 111 Ca 0.02 0.03 -0.01 0.00 0.04 0.00 0.00 61.00 61.08 2cqv s PRO 111 Cb -0.00 -1.62 -0.00 0.00 0.04 0.00 0.00 34.50 32.91 2cqv s PRO 111 CO 0.08 -3.55 -0.01 0.45 0.04 0.00 0.00 177.00 174.01 2cqv n SER 112 N -4.66 0.94 -4.56 6.66 2.88 -1.26 -4.92 113.62 108.70 2cqv n SER 112 Ca 0.12 0.12 -0.20 0.00 -1.33 0.00 0.00 58.87 57.57 2cqv n SER 112 Cb 0.59 -0.30 -0.06 0.00 -0.75 0.00 0.00 64.21 63.69 2cqv n SER 112 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cqv s SER 113 N -5.80 4.53 0.00 -3.46 0.01 -1.26 -5.35 113.70 102.37 2cqv s SER 113 Ca -0.01 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.94 2cqv s SER 113 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2cqv s SER 113 CO 0.02 -3.30 0.00 0.61 0.41 0.00 0.00 173.24 170.98