#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 3.23 0.22 1.61 0.01 -1.26 -5.13 113.70 112.38 2cqv s SER 2 Ca 0.00 -0.52 -0.12 0.00 1.31 0.00 0.00 55.95 56.62 2cqv s SER 2 Cb 0.00 -0.36 -0.00 0.00 0.21 0.00 0.00 66.02 65.86 2cqv s SER 2 CO 0.00 0.28 0.42 -0.44 0.41 0.00 0.00 173.24 173.91 2cqv s SER 3 N -1.04 -0.07 0.20 2.44 0.01 -1.26 -5.09 113.70 108.89 2cqv s SER 3 Ca 0.11 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.50 2cqv s SER 3 Cb -0.10 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.66 2cqv s SER 3 CO 0.01 -1.05 0.00 0.61 0.41 0.00 0.00 173.24 173.22 2cqv n GLY 4 N -0.33 1.09 2.92 3.44 0.00 -1.26 -4.71 105.19 106.34 2cqv n GLY 4 Ca -0.04 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 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 -4.00 4.33 -0.15 1.61 0.01 -1.26 -4.90 113.70 109.34 2cqv s SER 5 Ca 0.00 -2.56 0.10 0.00 1.31 0.00 0.00 55.95 54.80 2cqv s SER 5 Cb 0.00 -1.47 -0.16 0.00 0.21 0.00 0.00 66.02 64.60 2cqv s SER 5 CO 0.00 -0.30 -0.01 -1.20 0.41 0.00 0.00 173.24 172.14 2cqv n SER 6 N 3.70 1.73 0.00 2.44 7.64 -1.26 -5.09 113.62 122.77 2cqv n SER 6 Ca 0.05 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2cqv n SER 6 Cb 0.36 0.55 0.00 0.00 -1.01 0.00 0.00 64.21 64.12 2cqv n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cqv n GLY 7 N 2.24 3.02 3.75 0.23 0.00 -1.26 -4.57 105.19 108.59 2cqv n GLY 7 Ca -0.26 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.96 4.42 -0.04 1.61 0.04 -1.25 -4.13 135.00 133.69 2cqv s PRO 8 Ca 0.00 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.97 2cqv s PRO 8 Cb 0.00 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.39 2cqv s PRO 8 CO 0.00 -0.18 0.27 1.14 0.04 0.00 0.00 177.00 178.27 2cqv s GLN 9 N -0.60 0.52 -0.70 4.56 -2.07 -0.33 -4.30 119.66 116.74 2cqv s GLN 9 Ca 0.53 -0.03 -0.16 0.00 -1.82 0.00 0.00 55.36 53.89 2cqv s GLN 9 Cb -0.36 0.23 0.16 0.00 -1.09 0.00 0.00 33.01 31.95 2cqv s GLN 9 CO 0.41 -0.12 0.70 0.42 -1.32 0.00 0.00 175.29 175.38 2cqv s ILE 10 N -0.83 5.27 -0.09 3.63 1.01 -1.26 -1.65 121.20 127.27 2cqv s ILE 10 Ca -0.09 -1.82 0.13 0.00 0.00 0.00 0.00 60.65 58.87 2cqv s ILE 10 Cb -0.05 -4.46 -0.01 0.00 0.01 0.00 0.00 42.46 37.95 2cqv s ILE 10 CO 0.02 -1.04 1.38 0.16 0.00 0.00 0.00 174.94 175.47 2cqv h ILE 11 N 5.44 1.07 -3.42 2.92 -2.65 -1.93 -3.44 117.51 115.49 2cqv h ILE 11 Ca -0.09 -2.52 -0.58 0.00 1.03 0.00 0.00 64.86 62.69 2cqv h ILE 11 Cb 1.07 2.52 -0.33 0.00 -2.05 0.00 0.00 36.82 38.03 2cqv h ILE 11 CO 0.94 0.61 -0.84 -1.10 0.03 0.00 0.00 178.15 177.79 2cqv s GLN 12 N -2.89 2.24 -0.28 0.16 -0.21 -1.25 -5.03 119.66 112.40 2cqv s GLN 12 Ca 0.03 -0.61 -0.25 0.00 0.02 0.00 0.00 55.36 54.55 2cqv s GLN 12 Cb 0.08 -1.77 0.11 0.00 1.00 0.00 0.00 33.01 32.42 2cqv s GLN 12 CO 0.77 0.10 0.92 0.12 -2.12 0.00 0.00 175.29 175.08 2cqv s PHE 13 N 0.49 -0.59 0.26 0.91 5.36 -1.26 -1.92 117.98 121.23 2cqv s PHE 13 Ca -0.16 1.42 -0.30 0.00 -0.96 0.00 0.00 56.93 56.94 2cqv s PHE 13 Cb -0.16 0.34 -0.09 0.00 -0.34 0.00 0.00 43.02 42.76 2cqv s PHE 13 CO 0.06 -0.28 1.26 -1.25 -1.46 0.00 0.00 175.22 173.55 2cqv s PRO 14 N 0.33 4.43 0.46 10.12 0.04 -1.26 -5.05 135.00 144.08 2cqv s PRO 14 Ca 0.02 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.14 2cqv s PRO 14 Cb -0.05 -3.15 0.08 0.00 0.04 0.00 0.00 34.50 31.42 2cqv s PRO 14 CO -0.04 -0.13 0.64 0.39 0.04 0.00 0.00 177.00 177.89 2cqv n GLU 15 N 1.73 0.43 -1.45 4.56 -0.58 -1.26 -4.64 120.64 119.43 2cqv n GLU 15 Ca 0.03 -2.09 -0.59 0.00 -0.42 0.00 0.00 57.16 54.09 2cqv n GLU 15 Cb 0.43 -0.31 -0.10 0.00 -0.57 0.00 0.00 31.44 30.89 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 -2.72 1.41 -4.22 1.62 5.75 -1.26 -4.62 116.55 112.52 2cqv n ASP 16 Ca 0.12 0.76 -0.19 0.00 -0.01 0.00 0.00 54.79 55.46 2cqv n ASP 16 Cb 0.42 -1.02 -0.10 0.00 -1.03 0.00 0.00 41.12 39.40 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 5.20 1.57 0.40 0.11 -2.07 -0.58 -4.96 119.66 119.33 2cqv s GLN 17 Ca 1.12 -1.89 0.07 0.00 -1.82 0.00 0.00 55.36 52.85 2cqv s GLN 17 Cb -1.28 -0.37 -0.07 0.00 -1.09 0.00 0.00 33.01 30.20 2cqv s GLN 17 CO 0.64 -0.34 0.05 0.21 -1.32 0.00 0.00 175.29 174.54 2cqv s LYS 18 N -3.91 2.04 -0.28 9.60 2.20 -1.26 -2.46 119.74 125.68 2cqv s LYS 18 Ca 0.35 -2.00 -0.17 0.00 -0.36 0.00 0.00 55.97 53.79 2cqv s LYS 18 Cb 0.07 -1.77 0.08 0.00 -1.51 0.00 0.00 37.83 34.70 2cqv s LYS 18 CO 0.15 -0.05 0.69 0.54 -0.36 0.00 0.00 175.35 176.33 2cqv s VAL 19 N -2.66 -0.00 -0.22 4.02 0.11 0.46 -4.85 120.40 117.26 2cqv s VAL 19 Ca 0.37 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.13 2cqv s VAL 19 Cb 0.07 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 33.91 2cqv s VAL 19 CO 0.19 0.00 1.37 -0.13 -3.33 0.00 0.00 175.10 173.20 2cqv s ARG 20 N 1.41 4.03 -0.44 1.54 1.81 -1.26 -1.21 118.95 124.83 2cqv s ARG 20 Ca -0.08 1.54 -0.40 0.00 -1.72 0.00 0.00 55.73 55.07 2cqv s ARG 20 Cb -0.05 -3.87 -0.17 0.00 -0.45 0.00 0.00 34.95 30.41 2cqv s ARG 20 CO -0.16 -0.98 1.73 0.00 -0.68 0.00 0.00 175.30 175.21 2cqv n ALA 21 N 7.35 -0.30 0.00 2.13 0.00 0.21 -0.13 120.51 129.77 2cqv n ALA 21 Ca 0.15 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2cqv n ALA 21 Cb 0.45 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 5.54 1.10 3.33 0.00 0.00 0.11 -4.87 105.19 110.40 2cqv n GLY 22 Ca 0.41 0.00 -0.17 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 -1.69 0.67 -4.01 1.61 -0.58 0.82 -4.51 120.64 112.95 2cqv n GLU 23 Ca 0.00 -2.68 -0.34 0.00 -0.42 0.00 0.00 57.16 53.72 2cqv n GLU 23 Cb 0.00 -0.18 -0.15 0.00 -0.57 0.00 0.00 31.44 30.54 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 -4.05 3.76 0.12 1.62 1.04 -1.26 -2.53 113.70 112.41 2cqv s SER 24 Ca 0.51 -0.53 0.09 0.00 0.48 0.00 0.00 55.95 56.49 2cqv s SER 24 Cb -0.04 -1.62 -0.04 0.00 0.10 0.00 0.00 66.02 64.42 2cqv s SER 24 CO 0.32 -0.02 -0.16 0.54 0.98 0.00 0.00 173.24 174.90 2cqv s VAL 25 N 1.38 2.94 -0.23 5.02 0.11 -1.14 -4.99 120.40 123.49 2cqv s VAL 25 Ca 0.05 -1.48 -0.03 0.00 -2.93 0.00 0.00 61.98 57.59 2cqv s VAL 25 Cb -0.14 -2.36 0.07 0.00 -1.53 0.00 0.00 36.38 32.43 2cqv s VAL 25 CO -0.08 0.09 0.06 -1.61 -3.33 0.00 0.00 175.10 170.23 2cqv s GLU 26 N -2.20 0.60 -0.63 1.54 8.01 -1.26 -1.81 118.70 122.95 2cqv s GLU 26 Ca 0.19 -0.59 -0.14 0.00 0.01 0.00 0.00 54.97 54.44 2cqv s GLU 26 Cb -0.11 -1.96 0.16 0.00 -4.31 0.00 0.00 34.13 27.91 2cqv s GLU 26 CO 0.11 -0.77 0.57 -0.51 0.01 0.00 0.00 175.26 174.66 2cqv s LEU 27 N 1.83 6.28 -0.17 1.80 1.43 -1.04 -4.91 118.68 123.91 2cqv s LEU 27 Ca 0.03 -2.15 -0.06 0.00 -1.03 0.00 0.00 54.13 50.91 2cqv s LEU 27 Cb -0.17 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 2cqv s LEU 27 CO -0.16 -0.72 0.04 0.12 0.23 0.00 0.00 176.35 175.86 2cqv s PHE 28 N 1.02 3.20 -0.44 0.29 5.36 -1.26 -0.98 117.98 125.17 2cqv s PHE 28 Ca 0.09 0.01 0.01 0.00 -0.96 0.00 0.00 56.93 56.09 2cqv s PHE 28 Cb -0.22 -2.02 0.12 0.00 -0.34 0.00 0.00 43.02 40.55 2cqv s PHE 28 CO -0.02 0.16 0.19 0.20 -1.46 0.00 0.00 175.22 174.30 2cqv s GLY 29 N 0.21 2.16 0.25 13.12 0.00 -0.49 -4.36 107.32 118.21 2cqv s GLY 29 Ca 0.03 -2.83 -0.31 0.00 0.00 0.00 0.00 44.72 41.61 2cqv s GLY 29 CO 0.01 1.00 1.47 1.17 0.00 0.00 0.00 173.10 176.75 2cqv n LYS 30 N 3.93 2.23 -4.50 2.90 4.81 -0.81 -3.61 118.16 123.12 2cqv n LYS 30 Ca 0.03 0.80 -0.23 0.00 -0.87 0.00 0.00 58.31 58.04 2cqv n LYS 30 Cb 0.39 -2.49 -0.14 0.00 0.02 0.00 0.00 35.03 32.81 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 -0.02 1.45 0.02 3.15 -7.23 0.67 -3.17 120.40 115.27 2cqv s VAL 31 Ca 0.67 -1.15 0.01 0.00 -1.81 0.00 0.00 61.98 59.71 2cqv s VAL 31 Cb -0.60 -1.28 -0.01 0.00 0.56 0.00 0.00 36.38 35.04 2cqv s VAL 31 CO 0.49 0.10 -0.05 0.28 -0.31 0.00 0.00 175.10 175.62 2cqv s THR 32 N -0.85 0.33 0.00 5.32 -1.32 -0.66 -4.72 115.64 113.74 2cqv s THR 32 Ca 0.05 -0.64 0.00 0.00 -1.21 0.00 0.00 61.69 59.89 2cqv s THR 32 Cb -0.09 -0.37 0.00 0.00 -1.51 0.00 0.00 72.50 70.54 2cqv s THR 32 CO 0.02 -0.21 0.00 0.61 -2.21 0.00 0.00 174.62 172.83 2cqv n GLY 33 N 2.16 -1.39 3.06 6.08 0.00 -1.26 -1.18 105.19 112.65 2cqv n GLY 33 Ca -0.19 0.56 -0.01 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.85 0.69 2.61 2.01 -1.26 -4.82 115.64 114.02 2cqv s THR 34 Ca 0.00 -0.07 -0.15 0.00 0.31 0.00 0.00 61.69 61.78 2cqv s THR 34 Cb 0.00 -0.96 0.02 0.00 0.01 0.00 0.00 72.50 71.57 2cqv s THR 34 CO 0.00 -0.08 1.16 -1.10 -0.69 0.00 0.00 174.62 173.91 2cqv s GLN 35 N 2.73 2.48 0.80 4.92 -1.52 -1.26 -4.44 119.66 123.36 2cqv s GLN 35 Ca 0.14 1.59 -0.11 0.00 -1.95 0.00 0.00 55.36 55.04 2cqv s GLN 35 Cb -0.13 -1.89 0.07 0.00 -0.22 0.00 0.00 33.01 30.84 2cqv s GLN 35 CO -0.23 -1.54 1.09 -1.25 -0.25 0.00 0.00 175.29 173.11 2cqv s PRO 36 N -3.96 2.07 -0.03 2.91 0.04 -1.26 -5.10 135.00 129.66 2cqv s PRO 36 Ca 0.71 1.11 -0.01 0.00 0.04 0.00 0.00 61.00 62.85 2cqv s PRO 36 Cb -0.25 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.44 2cqv s PRO 36 CO 0.43 -1.76 0.02 0.42 0.04 0.00 0.00 177.00 176.15 2cqv s ILE 37 N -2.91 0.05 0.36 0.56 1.01 -1.26 -4.63 121.20 114.38 2cqv s ILE 37 Ca 0.62 0.22 -0.24 0.00 0.00 0.00 0.00 60.65 61.24 2cqv s ILE 37 Cb -0.17 -0.21 -0.10 0.00 0.01 0.00 0.00 42.46 41.99 2cqv s ILE 37 CO 0.56 0.15 0.95 -0.89 0.00 0.00 0.00 174.94 175.71 2cqv s THR 38 N 1.44 4.24 -0.04 2.92 2.01 0.18 -4.94 115.64 121.45 2cqv s THR 38 Ca -0.04 1.68 -0.01 0.00 0.31 0.00 0.00 61.69 63.63 2cqv s THR 38 Cb -0.13 -3.85 0.03 0.00 0.01 0.00 0.00 72.50 68.56 2cqv s THR 38 CO -0.03 -0.02 0.07 0.00 -0.69 0.00 0.00 174.62 173.95 2cqv s THR 40 N 1.24 1.08 -0.36 0.00 2.01 0.14 -4.99 115.64 114.76 2cqv s THR 40 Ca -0.07 -0.51 -0.08 0.00 0.31 0.00 0.00 61.69 61.33 2cqv s THR 40 Cb -0.13 -0.95 0.04 0.00 0.01 0.00 0.00 72.50 71.47 2cqv s THR 40 CO -0.04 0.33 0.16 0.26 -0.69 0.00 0.00 174.62 174.64 2cqv s TRP 41 N 0.24 3.26 0.44 4.92 0.52 -1.26 -0.67 118.94 126.39 2cqv s TRP 41 Ca -0.06 -1.29 0.06 0.00 0.02 0.00 0.00 56.10 54.84 2cqv s TRP 41 Cb -0.11 -2.43 -0.05 0.00 -1.15 0.00 0.00 33.47 29.73 2cqv s TRP 41 CO 0.02 -0.72 0.07 -1.64 0.02 0.00 0.00 176.95 174.70 2cqv s MET 42 N 1.46 2.09 -0.23 4.98 -1.94 -0.17 -0.30 119.30 125.20 2cqv s MET 42 Ca 0.00 -2.11 -0.08 0.00 -1.71 0.00 0.00 55.69 51.79 2cqv s MET 42 Cb -0.20 -1.72 0.10 0.00 2.01 0.00 0.00 34.83 35.02 2cqv s MET 42 CO 0.04 -0.17 0.49 0.21 -0.01 0.00 0.00 175.02 175.58 2cqv s LYS 43 N -3.83 0.41 -1.26 2.03 2.20 -0.05 -0.49 119.74 118.75 2cqv s LYS 43 Ca 0.30 1.14 -0.04 0.00 -0.36 0.00 0.00 55.97 57.01 2cqv s LYS 43 Cb 0.06 0.45 0.00 0.00 -1.51 0.00 0.00 37.83 36.83 2cqv s LYS 43 CO 0.16 -0.23 1.08 1.19 -0.36 0.00 0.00 175.35 177.19 2cqv n PHE 44 N 5.29 -2.50 -3.51 4.03 3.72 -1.06 -2.39 117.46 121.04 2cqv n PHE 44 Ca -0.11 0.97 -0.21 0.00 -0.05 0.00 0.00 57.45 58.04 2cqv n PHE 44 Cb 0.50 -5.03 0.08 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 -4.51 -7.37 -3.27 -1.08 5.12 -1.26 -4.99 116.66 99.30 2cqv n ARG 45 Ca -0.15 0.81 -0.02 0.00 -1.93 0.00 0.00 57.85 56.56 2cqv n ARG 45 Cb 0.62 -5.76 -0.04 0.00 -1.16 0.00 0.00 32.46 26.11 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 -6.01 0.47 0.10 5.56 2.20 -1.00 -5.13 119.74 115.92 2cqv s LYS 46 Ca 0.42 0.83 -0.36 0.00 -0.36 0.00 0.00 55.97 56.50 2cqv s LYS 46 Cb -0.18 0.14 -0.17 0.00 -1.51 0.00 0.00 37.83 36.11 2cqv s LYS 46 CO 0.70 -0.60 1.30 0.94 -0.36 0.00 0.00 175.35 177.33 2cqv n GLN 47 N 5.40 1.09 -2.51 4.03 7.27 -1.26 -0.87 117.38 130.53 2cqv n GLN 47 Ca -0.03 0.39 -0.39 0.00 0.07 0.00 0.00 57.00 57.04 2cqv n GLN 47 Cb 0.51 -2.00 -0.04 0.00 2.41 0.00 0.00 30.24 31.11 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 0.34 3.59 -0.21 1.69 1.01 0.60 -4.81 121.20 123.40 2cqv s ILE 48 Ca 0.83 1.51 -0.13 0.00 0.00 0.00 0.00 60.65 62.86 2cqv s ILE 48 Cb -0.95 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 37.54 2cqv s ILE 48 CO 0.48 0.30 0.28 0.00 0.00 0.00 0.00 174.94 176.00 2cqv s GLN 49 N -1.65 4.15 0.32 2.79 -2.07 -1.26 -4.91 119.66 117.04 2cqv s GLN 49 Ca 0.47 -0.02 -0.29 0.00 -1.82 0.00 0.00 55.36 53.70 2cqv s GLN 49 Cb -0.29 -3.52 -0.11 0.00 -1.09 0.00 0.00 33.01 28.00 2cqv s GLN 49 CO 0.37 0.06 1.55 -1.21 -1.32 0.00 0.00 175.29 174.74 2cqv s GLU 50 N 1.04 4.12 -0.15 9.60 2.02 -1.26 -4.68 118.70 129.40 2cqv s GLU 50 Ca 0.14 2.57 -0.34 0.00 0.02 0.00 0.00 54.97 57.35 2cqv s GLU 50 Cb -0.14 -3.01 0.13 0.00 0.10 0.00 0.00 34.13 31.22 2cqv s GLU 50 CO 0.05 -0.59 1.23 0.45 0.02 0.00 0.00 175.26 176.43 2cqv s SER 51 N 0.25 -0.11 0.56 -0.19 0.15 0.20 -4.93 113.70 109.63 2cqv s SER 51 Ca 0.59 -0.03 0.33 0.00 0.70 0.00 0.00 55.95 57.54 2cqv s SER 51 Cb -0.47 0.14 1.46 0.00 -1.71 0.00 0.00 66.02 65.44 2cqv s SER 51 CO 0.53 -0.24 1.79 1.05 1.20 0.00 0.00 173.24 177.57 2cqv h GLU 52 N 2.00 0.00 0.24 5.44 4.11 -1.96 0.62 114.58 125.02 2cqv h GLU 52 Ca -0.14 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 58.96 2cqv h GLU 52 Cb 1.17 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.46 2cqv h GLU 52 CO 0.24 0.00 -1.49 0.45 0.07 0.00 0.00 179.01 178.27 2cqv h HIS 53 N 0.00 0.91 -3.06 2.06 3.86 -1.90 -3.36 115.15 113.66 2cqv h HIS 53 Ca 0.44 -0.66 -0.58 0.00 -1.16 0.00 0.00 60.37 58.40 2cqv h HIS 53 Cb 1.96 -0.04 -0.40 0.00 1.06 0.00 0.00 27.41 29.99 2cqv h HIS 53 CO 0.00 1.55 -0.76 -1.64 0.86 0.00 0.00 177.93 177.94 2cqv s MET 54 N -2.60 0.77 0.69 2.45 -1.94 0.21 -0.04 119.30 118.83 2cqv s MET 54 Ca -0.09 -1.22 0.01 0.00 -1.71 0.00 0.00 55.69 52.67 2cqv s MET 54 Cb 0.05 -1.95 0.14 0.00 2.01 0.00 0.00 34.83 35.07 2cqv s MET 54 CO 0.93 -1.04 0.95 1.63 -0.01 0.00 0.00 175.02 177.48 2cqv n LYS 55 N 4.59 -0.03 -3.69 2.03 5.02 0.15 0.58 118.16 126.81 2cqv n LYS 55 Ca 0.01 -2.64 -0.10 0.00 -2.02 0.00 0.00 58.31 53.55 2cqv n LYS 55 Cb 0.40 -0.61 -0.11 0.00 -0.02 0.00 0.00 35.03 34.70 2cqv n LYS 55 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2cqv s VAL 56 N -2.92 -0.02 -0.60 -0.18 1.01 -1.26 -3.03 120.40 113.40 2cqv s VAL 56 Ca 0.63 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.74 2cqv s VAL 56 Cb -0.04 -0.62 0.15 0.00 0.00 0.00 0.00 36.38 35.87 2cqv s VAL 56 CO 0.42 0.03 0.37 -0.70 0.00 0.00 0.00 175.10 175.22 2cqv s GLU 57 N 1.35 2.14 0.28 2.72 -6.30 -0.31 -4.94 118.70 113.63 2cqv s GLU 57 Ca -0.09 -2.91 -0.20 0.00 -2.50 0.00 0.00 54.97 49.26 2cqv s GLU 57 Cb -0.08 -3.27 -0.09 0.00 0.00 0.00 0.00 34.13 30.69 2cqv s GLU 57 CO -0.12 -1.20 0.79 0.54 0.02 0.00 0.00 175.26 175.29 2cqv s ASN 58 N -0.79 7.06 0.05 -1.70 2.20 -1.26 -2.15 114.94 118.34 2cqv s ASN 58 Ca 0.21 1.51 -0.17 0.00 -0.94 0.00 0.00 52.86 53.47 2cqv s ASN 58 Cb -0.15 -2.46 0.06 0.00 -2.00 0.00 0.00 41.25 36.70 2cqv s ASN 58 CO -0.08 -0.07 0.78 -1.54 -2.94 0.00 0.00 177.10 173.26 2cqv n SER 59 N 0.37 -0.97 -0.18 3.54 3.41 0.83 -4.98 113.62 115.65 2cqv n SER 59 Ca 0.00 -1.37 -0.01 0.00 -0.26 0.00 0.00 58.87 57.23 2cqv n SER 59 Cb 0.51 1.54 0.07 0.00 -0.26 0.00 0.00 64.21 66.08 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 0.12 -0.95 4.33 4.81 -1.97 0.39 114.58 121.31 2cqv h GLU 60 Ca -0.16 -0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.22 2cqv h GLU 60 Cb 0.80 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.07 2cqv h GLU 60 CO 0.22 0.08 0.60 -0.91 -0.73 0.00 0.00 179.01 178.28 2cqv h ASN 61 N 0.12 0.73 0.00 1.04 2.35 -1.96 -3.44 115.58 114.43 2cqv h ASN 61 Ca 0.28 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 2cqv h ASN 61 Cb 0.43 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2cqv h ASN 61 CO -0.45 0.34 0.00 0.61 -1.65 0.00 0.00 177.43 176.28 2cqv n GLY 62 N -1.40 -0.19 2.92 2.83 0.00 0.13 -0.24 105.19 109.24 2cqv n GLY 62 Ca 0.19 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.07 0.18 1.61 0.15 -1.24 -0.12 113.70 110.21 2cqv s SER 63 Ca 0.00 0.17 0.11 0.00 0.70 0.00 0.00 55.95 56.93 2cqv s SER 63 Cb 0.00 0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.40 2cqv s SER 63 CO 0.00 -0.07 -0.24 -0.75 1.20 0.00 0.00 173.24 173.39 2cqv s LYS 64 N 0.42 1.46 -0.34 5.44 2.20 -0.91 -1.40 119.74 126.61 2cqv s LYS 64 Ca -0.03 -1.47 -0.00 0.00 -0.36 0.00 0.00 55.97 54.10 2cqv s LYS 64 Cb -0.05 -1.77 0.11 0.00 -1.51 0.00 0.00 37.83 34.61 2cqv s LYS 64 CO -0.02 0.39 0.12 -1.17 -0.36 0.00 0.00 175.35 174.31 2cqv s LEU 65 N -2.56 2.39 -0.27 5.43 2.96 -0.15 -1.17 118.68 125.32 2cqv s LEU 65 Ca 0.19 -1.85 -0.23 0.00 -0.22 0.00 0.00 54.13 52.02 2cqv s LEU 65 Cb -0.08 -0.91 -0.01 0.00 0.50 0.00 0.00 46.19 45.69 2cqv s LEU 65 CO 0.09 -0.38 0.75 -0.89 -1.32 0.00 0.00 176.35 174.59 2cqv s THR 66 N 1.35 4.87 -0.34 3.68 2.01 -1.17 -2.48 115.64 123.56 2cqv s THR 66 Ca 0.11 1.30 -0.11 0.00 0.31 0.00 0.00 61.69 63.30 2cqv s THR 66 Cb -0.19 -4.06 -0.00 0.00 0.01 0.00 0.00 72.50 68.26 2cqv s THR 66 CO -0.19 -0.10 0.20 -0.63 -0.69 0.00 0.00 174.62 173.22 2cqv s ILE 67 N 2.76 4.86 0.29 1.82 1.01 -0.75 -0.67 121.20 130.52 2cqv s ILE 67 Ca 0.31 -0.47 -0.12 0.00 0.00 0.00 0.00 60.65 60.37 2cqv s ILE 67 Cb -0.15 -3.55 -0.08 0.00 0.01 0.00 0.00 42.46 38.69 2cqv s ILE 67 CO 0.09 -0.05 0.66 -0.76 0.00 0.00 0.00 174.94 174.88 2cqv s LEU 68 N 1.64 4.08 -1.48 2.97 2.01 0.94 -2.88 118.68 125.96 2cqv s LEU 68 Ca 0.05 1.11 -0.06 0.00 0.01 0.00 0.00 54.13 55.23 2cqv s LEU 68 Cb -0.18 -3.90 0.01 0.00 0.01 0.00 0.00 46.19 42.13 2cqv s LEU 68 CO 0.08 -0.17 0.14 0.00 1.01 0.00 0.00 176.35 177.41 2cqv n ALA 69 N -0.38 -2.12 -0.83 4.21 0.00 -1.18 -4.54 120.51 115.68 2cqv n ALA 69 Ca 0.02 -0.44 -0.40 0.00 0.00 0.00 0.00 53.44 52.62 2cqv n ALA 69 Cb 0.53 -1.16 -0.08 0.00 0.00 0.00 0.00 19.45 18.74 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 -4.67 0.14 -2.31 0.00 0.00 -1.05 -4.17 120.51 108.46 2cqv n ALA 70 Ca -0.29 0.13 -0.29 0.00 0.00 0.00 0.00 53.44 52.99 2cqv n ALA 70 Cb 0.67 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 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 3.98 3.67 0.59 0.00 1.81 -1.26 0.09 118.95 127.83 2cqv s ARG 71 Ca 0.80 0.25 0.29 0.00 -1.72 0.00 0.00 55.73 55.35 2cqv s ARG 71 Cb -1.00 -2.46 1.71 0.00 -0.45 0.00 0.00 34.95 32.76 2cqv s ARG 71 CO 0.44 -0.02 2.16 0.37 -0.68 0.00 0.00 175.30 177.58 2cqv h GLN 72 N 1.06 0.00 0.24 3.54 5.75 -1.92 -1.59 115.11 122.18 2cqv h GLN 72 Ca -0.47 0.00 -0.32 0.00 -0.15 0.00 0.00 58.65 57.71 2cqv h GLN 72 Cb 1.19 0.00 0.04 0.00 1.07 0.00 0.00 27.48 29.78 2cqv h GLN 72 CO 0.64 0.00 -1.39 1.05 -2.65 0.00 0.00 178.83 176.48 2cqv h GLU 73 N 0.00 0.51 -1.38 1.69 4.11 -1.98 -3.27 114.58 114.27 2cqv h GLU 73 Ca 0.05 -0.87 0.47 0.00 0.07 0.00 0.00 59.36 59.08 2cqv h GLU 73 Cb 0.29 0.32 -0.14 0.00 0.50 0.00 0.00 28.75 29.73 2cqv h GLU 73 CO -0.00 1.42 0.88 0.45 0.07 0.00 0.00 179.01 181.83 2cqv h HIS 74 N 0.07 0.51 -1.19 2.06 3.86 -1.67 -3.40 115.15 115.39 2cqv h HIS 74 Ca -0.24 0.02 -0.80 0.00 -1.16 0.00 0.00 60.37 58.20 2cqv h HIS 74 Cb 2.09 -0.12 0.03 0.00 1.06 0.00 0.00 27.41 30.48 2cqv h HIS 74 CO 0.14 -0.26 0.47 0.00 0.86 0.00 0.00 177.93 179.14 2cqv n GLY 76 N 2.95 -1.65 3.64 0.00 0.00 -1.11 -5.00 105.19 104.02 2cqv n GLY 76 Ca 0.25 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 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 0.46 2.86 -0.15 0.00 1.51 0.98 -2.57 117.35 120.43 2cqv s TYR 78 Ca 0.04 -0.37 -0.08 0.00 -1.01 0.00 0.00 57.07 55.65 2cqv s TYR 78 Cb -0.12 -2.10 0.06 0.00 -0.11 0.00 0.00 41.96 39.68 2cqv s TYR 78 CO 0.00 -0.11 0.36 0.99 -1.11 0.00 0.00 175.55 175.69 2cqv s THR 79 N -2.34 -0.10 -0.39 -0.71 2.01 0.35 -1.77 115.64 112.70 2cqv s THR 79 Ca 0.48 0.12 -0.09 0.00 0.31 0.00 0.00 61.69 62.51 2cqv s THR 79 Cb -0.07 -0.55 0.05 0.00 0.01 0.00 0.00 72.50 71.95 2cqv s THR 79 CO 0.30 0.05 0.21 -0.22 -0.69 0.00 0.00 174.62 174.26 2cqv s LEU 80 N 1.51 4.82 -0.31 4.42 2.96 -1.24 -1.00 118.68 129.85 2cqv s LEU 80 Ca -0.08 -1.24 -0.13 0.00 -0.22 0.00 0.00 54.13 52.46 2cqv s LEU 80 Cb -0.09 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 2cqv s LEU 80 CO -0.11 -0.44 0.25 -0.22 -1.32 0.00 0.00 176.35 174.50 2cqv s LEU 81 N 1.47 4.26 -0.29 -0.68 2.96 0.15 -1.87 118.68 124.68 2cqv s LEU 81 Ca 0.02 -0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 2cqv s LEU 81 Cb -0.21 -2.18 0.05 0.00 0.50 0.00 0.00 46.19 44.35 2cqv s LEU 81 CO 0.04 -0.17 -0.02 0.68 -1.32 0.00 0.00 176.35 175.56 2cqv s VAL 82 N 1.81 2.80 0.06 1.68 -7.23 0.63 0.23 120.40 120.38 2cqv s VAL 82 Ca 0.08 -1.46 0.03 0.00 -1.81 0.00 0.00 61.98 58.83 2cqv s VAL 82 Cb -0.17 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 2cqv s VAL 82 CO 0.11 -0.10 0.02 -1.61 -0.31 0.00 0.00 175.10 173.21 2cqv s GLU 83 N 1.21 2.71 0.04 4.82 2.02 -0.54 -0.37 118.70 128.59 2cqv s GLU 83 Ca -0.06 -0.74 -0.22 0.00 0.02 0.00 0.00 54.97 53.98 2cqv s GLU 83 Cb -0.20 -2.63 0.05 0.00 0.10 0.00 0.00 34.13 31.45 2cqv s GLU 83 CO -0.02 0.57 0.49 1.21 0.02 0.00 0.00 175.26 177.53 2cqv s ASN 84 N -2.15 -0.40 0.21 -0.19 2.47 0.24 0.47 114.94 115.58 2cqv s ASN 84 Ca 0.25 0.17 0.05 0.00 0.42 0.00 0.00 52.86 53.75 2cqv s ASN 84 Cb -0.12 0.47 0.58 0.00 -1.45 0.00 0.00 41.25 40.73 2cqv s ASN 84 CO 0.17 -0.68 0.99 1.17 -3.72 0.00 0.00 177.10 175.03 2cqv n LYS 85 N 0.52 -0.05 0.00 0.43 0.00 -1.26 -1.31 118.16 116.49 2cqv n LYS 85 Ca -0.19 0.92 0.00 0.00 0.00 0.00 0.00 58.31 59.05 2cqv n LYS 85 Cb 0.60 -1.52 0.00 0.00 0.00 0.00 0.00 35.03 34.11 2cqv n LYS 85 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2cqv n LEU 86 N -4.71 0.53 0.00 3.14 4.32 -1.26 -5.04 117.00 113.99 2cqv n LEU 86 Ca 0.17 0.57 0.00 0.00 -0.02 0.00 0.00 56.01 56.73 2cqv n LEU 86 Cb 0.57 -0.25 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 2cqv n LEU 86 CO -0.03 -0.25 0.00 0.61 -1.22 0.00 0.00 177.39 176.50 2cqv n GLY 87 N 0.31 4.58 3.28 -0.72 0.00 -0.43 -4.98 105.19 107.22 2cqv n GLY 87 Ca 0.00 -1.19 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 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 1.30 0.13 0.07 1.61 1.04 -1.26 0.83 113.70 117.42 2cqv s SER 88 Ca 0.00 -1.10 -0.14 0.00 0.48 0.00 0.00 55.95 55.19 2cqv s SER 88 Cb 0.00 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.54 2cqv s SER 88 CO 0.00 -0.86 0.32 -0.60 0.98 0.00 0.00 173.24 173.08 2cqv s ARG 89 N -4.04 0.88 -0.05 4.02 6.06 0.50 -4.85 118.95 121.47 2cqv s ARG 89 Ca 0.25 -0.60 -0.02 0.00 -2.50 0.00 0.00 55.73 52.85 2cqv s ARG 89 Cb 0.05 0.38 0.03 0.00 0.06 0.00 0.00 34.95 35.47 2cqv s ARG 89 CO 0.04 -0.30 0.11 1.14 -2.50 0.00 0.00 175.30 173.80 2cqv s GLN 90 N -3.01 0.06 0.35 5.12 -2.07 -1.26 -0.27 119.66 118.59 2cqv s GLN 90 Ca -0.02 0.29 0.03 0.00 -1.82 0.00 0.00 55.36 53.85 2cqv s GLN 90 Cb 0.01 -0.16 0.03 0.00 -1.09 0.00 0.00 33.01 31.79 2cqv s GLN 90 CO -0.06 -0.14 0.24 0.00 -1.32 0.00 0.00 175.29 174.01 2cqv n ALA 91 N 4.04 0.52 -3.58 2.60 0.00 -0.78 -4.93 120.51 118.38 2cqv n ALA 91 Ca -0.25 -1.40 -0.12 0.00 0.00 0.00 0.00 53.44 51.67 2cqv n ALA 91 Cb 0.52 0.59 -0.08 0.00 0.00 0.00 0.00 19.45 20.48 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 -3.41 0.71 -0.11 0.00 -0.21 -1.26 -3.63 119.66 111.74 2cqv s GLN 92 Ca 0.19 0.95 -0.09 0.00 0.02 0.00 0.00 55.36 56.42 2cqv s GLN 92 Cb -0.01 0.28 0.03 0.00 1.00 0.00 0.00 33.01 34.31 2cqv s GLN 92 CO 0.12 -0.11 0.30 0.54 -2.12 0.00 0.00 175.29 174.02 2cqv s VAL 93 N 0.71 -0.01 -0.03 1.09 0.11 -0.73 -4.90 120.40 116.65 2cqv s VAL 93 Ca -0.03 0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 2cqv s VAL 93 Cb -0.05 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 2cqv s VAL 93 CO -0.05 0.01 0.15 0.20 -3.33 0.00 0.00 175.10 172.08 2cqv s ASN 94 N 0.43 6.19 0.06 3.54 0.01 -1.26 -0.02 114.94 123.89 2cqv s ASN 94 Ca -0.02 0.32 0.02 0.00 -0.71 0.00 0.00 52.86 52.47 2cqv s ASN 94 Cb -0.04 -1.91 -0.03 0.00 0.41 0.00 0.00 41.25 39.68 2cqv s ASN 94 CO -0.02 0.29 -0.08 -0.22 -1.51 0.00 0.00 177.10 175.56 2cqv s LEU 95 N -1.71 2.32 -0.01 0.60 2.96 -0.36 -1.53 118.68 120.95 2cqv s LEU 95 Ca 0.24 -0.67 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 2cqv s LEU 95 Cb -0.12 -0.19 0.01 0.00 0.50 0.00 0.00 46.19 46.39 2cqv s LEU 95 CO 0.15 -0.25 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.03 2cqv s THR 96 N -1.92 0.14 -0.16 3.68 2.01 -1.03 -2.74 115.64 115.62 2cqv s THR 96 Ca -0.04 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.90 2cqv s THR 96 Cb -0.06 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.23 2cqv s THR 96 CO -0.01 0.08 0.08 -0.69 -0.69 0.00 0.00 174.62 173.39 2cqv s VAL 97 N 0.42 4.93 -0.04 3.82 1.01 -1.26 -0.40 120.40 128.88 2cqv s VAL 97 Ca -0.04 0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.97 2cqv s VAL 97 Cb -0.06 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.14 2cqv s VAL 97 CO -0.01 0.51 -0.08 0.68 0.00 0.00 0.00 175.10 176.20 2cqv s VAL 98 N -0.08 0.76 -0.65 2.92 -7.23 -0.35 -4.83 120.40 110.94 2cqv s VAL 98 Ca 0.07 -0.29 0.16 0.00 -1.81 0.00 0.00 61.98 60.12 2cqv s VAL 98 Cb -0.12 -0.72 0.68 0.00 0.56 0.00 0.00 36.38 36.79 2cqv s VAL 98 CO 0.01 0.26 1.60 -0.67 -0.31 0.00 0.00 175.10 175.99 2cqv n ASP 99 N 3.72 4.76 -4.16 4.85 2.03 -1.26 0.64 116.55 127.13 2cqv n ASP 99 Ca -0.22 -2.68 -0.15 0.00 0.52 0.00 0.00 54.79 52.26 2cqv n ASP 99 Cb 0.52 -0.58 -0.11 0.00 -0.72 0.00 0.00 41.12 40.23 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 -2.27 0.80 0.66 -0.67 -0.14 -1.26 -4.98 119.74 111.87 2cqv s LYS 100 Ca 0.48 -1.07 -0.15 0.00 -1.36 0.00 0.00 55.97 53.87 2cqv s LYS 100 Cb 0.34 -0.53 -0.00 0.00 -1.68 0.00 0.00 37.83 35.96 2cqv s LYS 100 CO 0.18 0.09 1.11 -1.25 -0.76 0.00 0.00 175.35 174.72 2cqv s PRO 101 N -2.49 2.81 0.13 -1.68 0.04 -1.26 -5.03 135.00 127.52 2cqv s PRO 101 Ca 0.02 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.47 2cqv s PRO 101 Cb -0.05 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 2cqv s PRO 101 CO 0.00 -1.24 0.28 0.16 0.04 0.00 0.00 177.00 176.24 2cqv s ASP 102 N -2.56 6.36 0.64 6.66 -4.77 -1.26 -5.09 116.67 116.65 2cqv s ASP 102 Ca 0.67 0.27 -0.16 0.00 -3.30 0.00 0.00 52.55 50.03 2cqv s ASP 102 Cb -0.21 -1.95 -0.01 0.00 -1.09 0.00 0.00 42.92 39.66 2cqv s ASP 102 CO 0.41 0.07 1.11 -2.16 0.70 0.00 0.00 175.17 175.31 2cqv s PRO 103 N -2.98 2.88 0.38 2.11 0.04 -1.26 -5.00 135.00 131.18 2cqv s PRO 103 Ca 0.36 1.42 -0.26 0.00 0.04 0.00 0.00 61.00 62.55 2cqv s PRO 103 Cb -0.12 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 2cqv s PRO 103 CO 0.28 -1.19 1.20 -1.25 0.04 0.00 0.00 177.00 176.08 2cqv s PRO 104 N -3.99 4.12 0.12 0.56 0.04 -1.26 -5.04 135.00 129.55 2cqv s PRO 104 Ca 0.68 1.92 -0.25 0.00 0.04 0.00 0.00 61.00 63.39 2cqv s PRO 104 Cb -0.21 -2.77 0.07 0.00 0.04 0.00 0.00 34.50 31.64 2cqv s PRO 104 CO 0.40 -0.29 0.74 0.00 0.04 0.00 0.00 177.00 177.88 2cqv s ALA 105 N -1.34 -1.64 -0.68 8.56 0.00 -1.26 -5.09 121.76 120.31 2cqv s ALA 105 Ca 0.55 0.55 -0.26 0.00 0.00 0.00 0.00 51.96 52.80 2cqv s ALA 105 Cb -0.33 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.45 2cqv s ALA 105 CO 0.42 -0.79 2.04 0.20 0.00 0.00 0.00 175.76 177.62 2cqv s GLY 106 N -2.70 -0.03 -0.46 0.00 0.00 -1.26 -4.92 107.32 97.96 2cqv s GLY 106 Ca 0.04 -0.75 -0.11 0.00 0.00 0.00 0.00 44.72 43.90 2cqv s GLY 106 CO -0.08 3.65 0.34 -0.51 0.00 0.00 0.00 173.10 176.50 2cqv s THR 107 N 10.47 4.49 0.16 0.90 -4.23 -1.26 -5.07 115.64 121.11 2cqv s THR 107 Ca 0.76 -1.49 -0.30 0.00 -1.18 0.00 0.00 61.69 59.47 2cqv s THR 107 Cb -0.12 -3.82 -0.08 0.00 1.34 0.00 0.00 72.50 69.82 2cqv s THR 107 CO 0.15 -0.65 1.33 -2.16 -0.54 0.00 0.00 174.62 172.75 2cqv s PRO 108 N 1.46 4.37 -0.20 3.99 0.04 -1.26 -5.02 135.00 138.38 2cqv s PRO 108 Ca 0.04 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 63.08 2cqv s PRO 108 Cb -0.25 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.05 2cqv s PRO 108 CO 0.02 -0.31 -0.03 -1.12 0.04 0.00 0.00 177.00 175.60 2cqv s SER 109 N 0.65 4.57 0.00 6.66 0.01 -1.26 -4.96 113.70 119.36 2cqv s SER 109 Ca 0.59 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.58 2cqv s SER 109 Cb -0.36 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.10 2cqv s SER 109 CO 0.35 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.66 2cqv n GLY 110 N 4.33 1.21 3.77 3.44 0.00 -1.26 -5.16 105.19 111.52 2cqv n GLY 110 Ca -0.18 -0.02 -0.31 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 0.00 2.31 0.19 1.61 0.04 -1.26 -5.00 135.00 132.89 2cqv s PRO 111 Ca 0.00 1.20 -0.30 0.00 0.04 0.00 0.00 61.00 61.94 2cqv s PRO 111 Cb 0.00 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.56 2cqv s PRO 111 CO 0.00 -1.60 1.08 -1.54 0.04 0.00 0.00 177.00 174.97 2cqv s SER 112 N -3.28 7.32 -1.55 6.66 1.04 -1.26 -3.61 113.70 119.02 2cqv s SER 112 Ca 0.62 2.07 -0.15 0.00 0.48 0.00 0.00 55.95 58.97 2cqv s SER 112 Cb -0.18 -2.61 0.15 0.00 0.10 0.00 0.00 66.02 63.49 2cqv s SER 112 CO 0.54 -0.17 0.38 -1.20 0.98 0.00 0.00 173.24 173.78 2cqv n SER 113 N 2.22 -0.96 0.00 7.02 7.64 -1.26 -5.36 113.62 122.91 2cqv n SER 113 Ca 0.02 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 58.82 2cqv n SER 113 Cb 0.46 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 2cqv n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64