#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 -0.46 -4.15 1.61 2.88 -1.26 -4.99 113.62 107.24 2cqv n SER 2 Ca 0.00 0.69 -0.33 0.00 -1.33 0.00 0.00 58.87 57.90 2cqv n SER 2 Cb 0.00 -1.27 -0.16 0.00 -0.75 0.00 0.00 64.21 62.03 2cqv n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cqv s SER 3 N -1.36 3.21 0.00 -3.46 0.15 -1.26 -5.02 113.70 105.95 2cqv s SER 3 Ca 0.70 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.74 2cqv s SER 3 Cb -0.39 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 2cqv s SER 3 CO 0.53 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.61 2cqv n GLY 4 N 4.43 0.55 3.57 9.45 0.00 -1.26 -5.02 105.19 116.90 2cqv n GLY 4 Ca -0.20 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 2cqv n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqv s SER 5 N -4.00 5.88 -0.12 1.61 1.04 -1.26 -4.99 113.70 111.87 2cqv s SER 5 Ca 0.00 0.33 -0.05 0.00 0.48 0.00 0.00 55.95 56.71 2cqv s SER 5 Cb 0.00 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 2cqv s SER 5 CO 0.00 -1.90 0.08 -0.55 0.98 0.00 0.00 173.24 171.85 2cqv s SER 6 N 5.49 5.86 0.95 7.02 0.15 -1.26 -5.06 113.70 126.85 2cqv s SER 6 Ca 0.57 0.29 -0.15 0.00 0.70 0.00 0.00 55.95 57.37 2cqv s SER 6 Cb -0.12 -1.84 0.07 0.00 -1.71 0.00 0.00 66.02 62.42 2cqv s SER 6 CO 0.24 0.36 -0.10 0.61 1.20 0.00 0.00 173.24 175.54 2cqv n GLY 7 N 2.30 -2.34 3.73 9.45 0.00 -1.26 -4.17 105.19 112.89 2cqv n GLY 7 Ca -0.19 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.00 4.37 0.02 1.61 0.04 -1.25 -4.37 135.00 132.42 2cqv s PRO 8 Ca 0.34 2.04 -0.03 0.00 0.04 0.00 0.00 61.00 63.39 2cqv s PRO 8 Cb -0.03 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 2cqv s PRO 8 CO 0.40 -0.30 0.04 1.14 0.04 0.00 0.00 177.00 178.32 2cqv s GLN 9 N 0.25 0.42 -0.58 4.56 -2.07 -0.48 -4.28 119.66 117.49 2cqv s GLN 9 Ca 0.59 -0.61 -0.11 0.00 -1.82 0.00 0.00 55.36 53.41 2cqv s GLN 9 Cb -0.36 0.16 0.15 0.00 -1.09 0.00 0.00 33.01 31.87 2cqv s GLN 9 CO 0.36 -0.09 0.49 0.42 -1.32 0.00 0.00 175.29 175.15 2cqv s ILE 10 N -1.77 4.73 -0.14 3.63 1.01 -1.26 -1.45 121.20 125.94 2cqv s ILE 10 Ca -0.13 -1.98 0.14 0.00 0.00 0.00 0.00 60.65 58.69 2cqv s ILE 10 Cb -0.07 -4.04 0.04 0.00 0.01 0.00 0.00 42.46 38.41 2cqv s ILE 10 CO -0.01 -0.87 1.43 0.16 0.00 0.00 0.00 174.94 175.65 2cqv h ILE 11 N 5.69 0.91 -3.91 2.92 -2.65 -1.91 -3.45 117.51 115.11 2cqv h ILE 11 Ca -0.15 -2.30 -0.59 0.00 1.03 0.00 0.00 64.86 62.86 2cqv h ILE 11 Cb 1.06 2.45 -0.31 0.00 -2.05 0.00 0.00 36.82 37.97 2cqv h ILE 11 CO 0.87 0.52 -0.85 -1.10 0.03 0.00 0.00 178.15 177.63 2cqv s GLN 12 N -2.94 1.95 -0.28 0.16 -0.21 -1.24 -5.03 119.66 112.07 2cqv s GLN 12 Ca 0.04 -0.67 -0.25 0.00 0.02 0.00 0.00 55.36 54.50 2cqv s GLN 12 Cb 0.08 -1.68 0.13 0.00 1.00 0.00 0.00 33.01 32.53 2cqv s GLN 12 CO 0.75 0.27 1.07 0.12 -2.12 0.00 0.00 175.29 175.38 2cqv s PHE 13 N 0.00 -0.44 0.15 0.91 5.36 -1.26 -2.24 117.98 120.46 2cqv s PHE 13 Ca -0.04 1.07 -0.31 0.00 -0.96 0.00 0.00 56.93 56.69 2cqv s PHE 13 Cb -0.12 0.37 -0.08 0.00 -0.34 0.00 0.00 43.02 42.85 2cqv s PHE 13 CO 0.03 -0.21 1.34 -1.25 -1.46 0.00 0.00 175.22 173.66 2cqv s PRO 14 N 0.22 4.36 0.45 10.12 0.04 -1.26 -5.04 135.00 143.89 2cqv s PRO 14 Ca 0.03 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.09 2cqv s PRO 14 Cb -0.05 -3.23 0.09 0.00 0.04 0.00 0.00 34.50 31.35 2cqv s PRO 14 CO -0.07 -0.34 0.61 -0.85 0.04 0.00 0.00 177.00 176.39 2cqv n GLU 15 N 3.37 0.04 -1.52 4.56 0.28 -1.26 -4.69 120.64 121.42 2cqv n GLU 15 Ca 0.09 -1.52 -0.57 0.00 -0.16 0.00 0.00 57.16 55.00 2cqv n GLU 15 Cb 0.43 -0.45 -0.09 0.00 1.43 0.00 0.00 31.44 32.76 2cqv n GLU 15 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2cqv n ASP 16 N -3.04 1.81 -4.14 -1.84 5.75 -1.26 -4.64 116.55 109.20 2cqv n ASP 16 Ca 0.10 0.78 -0.15 0.00 -0.01 0.00 0.00 54.79 55.51 2cqv n ASP 16 Cb 0.34 -1.10 -0.10 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 4.92 1.37 0.40 0.11 -2.07 -0.65 -4.99 119.66 118.76 2cqv s GLN 17 Ca 1.08 -1.75 0.07 0.00 -1.82 0.00 0.00 55.36 52.94 2cqv s GLN 17 Cb -1.15 0.05 -0.08 0.00 -1.09 0.00 0.00 33.01 30.74 2cqv s GLN 17 CO 0.62 -0.39 0.01 0.21 -1.32 0.00 0.00 175.29 174.42 2cqv s LYS 18 N -4.01 1.97 -0.28 9.60 2.20 -1.26 -2.67 119.74 125.28 2cqv s LYS 18 Ca 0.38 -2.06 -0.19 0.00 -0.36 0.00 0.00 55.97 53.74 2cqv s LYS 18 Cb 0.07 -1.68 0.08 0.00 -1.51 0.00 0.00 37.83 34.79 2cqv s LYS 18 CO 0.15 -0.03 0.71 0.54 -0.36 0.00 0.00 175.35 176.36 2cqv s VAL 19 N -2.69 0.00 0.01 4.02 0.11 0.17 -4.87 120.40 117.15 2cqv s VAL 19 Ca 0.35 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.10 2cqv s VAL 19 Cb 0.09 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.88 2cqv s VAL 19 CO 0.18 0.00 1.41 -0.13 -3.33 0.00 0.00 175.10 173.23 2cqv s ARG 20 N 1.28 4.28 -0.42 1.54 1.81 -1.26 -1.34 118.95 124.84 2cqv s ARG 20 Ca -0.07 1.98 -0.40 0.00 -1.72 0.00 0.00 55.73 55.52 2cqv s ARG 20 Cb -0.05 -3.55 -0.15 0.00 -0.45 0.00 0.00 34.95 30.74 2cqv s ARG 20 CO -0.14 -0.57 2.11 0.00 -0.68 0.00 0.00 175.30 176.02 2cqv n ALA 21 N 5.28 0.50 0.00 2.13 0.00 0.13 0.02 120.51 128.57 2cqv n ALA 21 Ca 0.13 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2cqv n ALA 21 Cb 0.43 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 6.72 1.39 1.36 0.00 0.00 0.23 -4.82 105.19 110.06 2cqv n GLY 22 Ca 0.46 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 -3.03 -4.60 1.61 -0.58 0.10 -2.87 120.64 111.27 2cqv n GLU 23 Ca 0.00 -0.60 -0.25 0.00 -0.42 0.00 0.00 57.16 55.89 2cqv n GLU 23 Cb 0.00 -0.80 -0.17 0.00 -0.57 0.00 0.00 31.44 29.90 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 -2.41 1.90 0.24 1.62 1.04 -1.26 -2.12 113.70 112.71 2cqv s SER 24 Ca 0.28 -0.32 0.09 0.00 0.48 0.00 0.00 55.95 56.48 2cqv s SER 24 Cb -0.05 -0.87 -0.04 0.00 0.10 0.00 0.00 66.02 65.15 2cqv s SER 24 CO 0.23 0.04 -0.04 0.54 0.98 0.00 0.00 173.24 174.99 2cqv s VAL 25 N 0.69 3.33 -0.43 5.02 0.11 -1.18 -4.97 120.40 122.96 2cqv s VAL 25 Ca -0.14 -1.86 0.02 0.00 -2.93 0.00 0.00 61.98 57.07 2cqv s VAL 25 Cb -0.16 -2.74 0.15 0.00 -1.53 0.00 0.00 36.38 32.10 2cqv s VAL 25 CO 0.03 -0.30 0.29 -1.61 -3.33 0.00 0.00 175.10 170.19 2cqv s GLU 26 N -3.41 1.07 -0.54 1.54 2.02 -1.26 -2.49 118.70 115.63 2cqv s GLU 26 Ca 0.29 -1.99 -0.25 0.00 0.02 0.00 0.00 54.97 53.04 2cqv s GLU 26 Cb -0.07 -1.85 0.04 0.00 0.10 0.00 0.00 34.13 32.34 2cqv s GLU 26 CO 0.18 -1.26 1.00 -0.51 0.02 0.00 0.00 175.26 174.69 2cqv s LEU 27 N 0.27 3.92 -0.12 1.80 1.43 -1.11 -4.87 118.68 120.00 2cqv s LEU 27 Ca 0.24 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 2cqv s LEU 27 Cb -0.13 -2.99 -0.00 0.00 0.03 0.00 0.00 46.19 43.10 2cqv s LEU 27 CO -0.08 -1.26 -0.20 0.12 0.23 0.00 0.00 176.35 175.16 2cqv s PHE 28 N 4.17 2.66 -0.46 0.29 5.36 -1.26 -0.42 117.98 128.32 2cqv s PHE 28 Ca 0.35 -0.98 -0.01 0.00 -0.96 0.00 0.00 56.93 55.33 2cqv s PHE 28 Cb -0.11 -1.77 0.12 0.00 -0.34 0.00 0.00 43.02 40.92 2cqv s PHE 28 CO 0.22 -0.39 0.24 0.20 -1.46 0.00 0.00 175.22 174.03 2cqv s GLY 29 N 0.44 2.14 0.13 13.12 0.00 -0.67 -4.41 107.32 118.07 2cqv s GLY 29 Ca -0.14 -2.77 -0.33 0.00 0.00 0.00 0.00 44.72 41.47 2cqv s GLY 29 CO 0.06 1.03 1.68 1.17 0.00 0.00 0.00 173.10 177.04 2cqv n LYS 30 N 4.16 2.33 -5.08 2.90 4.81 -0.95 -3.77 118.16 122.56 2cqv n LYS 30 Ca 0.02 0.84 -0.30 0.00 -0.87 0.00 0.00 58.31 58.00 2cqv n LYS 30 Cb 0.40 -2.65 -0.15 0.00 0.02 0.00 0.00 35.03 32.64 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 1.62 1.97 0.12 3.15 -7.23 0.70 -2.93 120.40 117.80 2cqv s VAL 31 Ca 0.81 -1.17 0.05 0.00 -1.81 0.00 0.00 61.98 59.86 2cqv s VAL 31 Cb -0.63 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 2cqv s VAL 31 CO 0.39 0.46 -0.11 0.28 -0.31 0.00 0.00 175.10 175.81 2cqv s THR 32 N -0.67 1.15 0.00 5.32 -1.32 -0.53 -4.63 115.64 114.96 2cqv s THR 32 Ca 0.10 -1.82 0.00 0.00 -1.21 0.00 0.00 61.69 58.76 2cqv s THR 32 Cb -0.10 -1.59 0.00 0.00 -1.51 0.00 0.00 72.50 69.31 2cqv s THR 32 CO 0.00 -0.58 0.00 0.61 -2.21 0.00 0.00 174.62 172.44 2cqv n GLY 33 N 0.28 -0.58 2.91 6.08 0.00 -1.26 -1.38 105.19 111.24 2cqv n GLY 33 Ca -0.14 0.22 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.62 0.66 2.61 2.01 -1.26 -4.62 115.64 114.42 2cqv s THR 34 Ca 0.00 -0.18 -0.15 0.00 0.31 0.00 0.00 61.69 61.67 2cqv s THR 34 Cb 0.00 -0.89 -0.00 0.00 0.01 0.00 0.00 72.50 71.62 2cqv s THR 34 CO 0.00 -0.20 1.12 -1.10 -0.69 0.00 0.00 174.62 173.75 2cqv s GLN 35 N 2.54 2.78 0.79 4.92 -1.52 -1.26 -4.41 119.66 123.51 2cqv s GLN 35 Ca 0.12 1.43 -0.11 0.00 -1.95 0.00 0.00 55.36 54.85 2cqv s GLN 35 Cb -0.14 -1.94 0.07 0.00 -0.22 0.00 0.00 33.01 30.77 2cqv s GLN 35 CO -0.22 -1.27 1.09 -1.25 -0.25 0.00 0.00 175.29 173.39 2cqv s PRO 36 N -4.03 2.09 -0.03 2.91 0.04 -1.26 -5.09 135.00 129.63 2cqv s PRO 36 Ca 0.68 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2cqv s PRO 36 Cb -0.21 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.47 2cqv s PRO 36 CO 0.41 -1.74 0.02 0.42 0.04 0.00 0.00 177.00 176.14 2cqv s ILE 37 N -2.91 0.06 0.44 0.56 1.01 -1.26 -4.64 121.20 114.45 2cqv s ILE 37 Ca 0.61 0.17 -0.21 0.00 0.00 0.00 0.00 60.65 61.22 2cqv s ILE 37 Cb -0.17 -0.18 -0.10 0.00 0.01 0.00 0.00 42.46 42.01 2cqv s ILE 37 CO 0.56 0.12 0.98 -0.89 0.00 0.00 0.00 174.94 175.72 2cqv s THR 38 N 1.13 4.16 -0.23 2.92 2.01 0.16 -4.95 115.64 120.84 2cqv s THR 38 Ca -0.08 1.39 -0.03 0.00 0.31 0.00 0.00 61.69 63.28 2cqv s THR 38 Cb -0.13 -3.59 0.11 0.00 0.01 0.00 0.00 72.50 68.90 2cqv s THR 38 CO -0.02 -0.25 0.26 0.00 -0.69 0.00 0.00 174.62 173.92 2cqv s THR 40 N 2.37 3.34 -0.23 0.00 2.01 0.57 -4.98 115.64 118.72 2cqv s THR 40 Ca 0.09 -0.61 -0.06 0.00 0.31 0.00 0.00 61.69 61.41 2cqv s THR 40 Cb -0.15 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.00 2cqv s THR 40 CO -0.18 0.59 0.02 0.26 -0.69 0.00 0.00 174.62 174.62 2cqv s TRP 41 N -0.72 3.03 0.33 4.92 0.52 -1.26 -0.99 118.94 124.77 2cqv s TRP 41 Ca 0.11 -0.61 0.03 0.00 0.02 0.00 0.00 56.10 55.65 2cqv s TRP 41 Cb -0.11 -2.16 -0.05 0.00 -1.15 0.00 0.00 33.47 30.00 2cqv s TRP 41 CO 0.01 -0.41 0.09 -1.64 0.02 0.00 0.00 176.95 175.02 2cqv s MET 42 N 1.45 1.65 -0.24 4.98 -1.94 0.05 -1.70 119.30 123.56 2cqv s MET 42 Ca 0.05 -1.94 -0.10 0.00 -1.71 0.00 0.00 55.69 51.99 2cqv s MET 42 Cb -0.15 -0.63 0.10 0.00 2.01 0.00 0.00 34.83 36.16 2cqv s MET 42 CO 0.01 -0.29 0.55 0.21 -0.01 0.00 0.00 175.02 175.48 2cqv s LYS 43 N -3.88 0.50 -1.08 2.03 2.20 -0.03 0.31 119.74 119.79 2cqv s LYS 43 Ca 0.34 1.17 -0.06 0.00 -0.36 0.00 0.00 55.97 57.06 2cqv s LYS 43 Cb 0.07 0.41 0.01 0.00 -1.51 0.00 0.00 37.83 36.80 2cqv s LYS 43 CO 0.15 -0.20 0.79 1.19 -0.36 0.00 0.00 175.35 176.93 2cqv n PHE 44 N 5.00 -2.03 -3.39 4.03 3.01 -1.10 -2.66 117.46 120.32 2cqv n PHE 44 Ca -0.14 0.68 -0.19 0.00 1.01 0.00 0.00 57.45 58.81 2cqv n PHE 44 Cb 0.52 -3.98 0.07 0.00 -0.01 0.00 0.00 39.48 36.08 2cqv n PHE 44 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2cqv n ARG 45 N -3.77 -6.54 -3.68 -1.08 5.12 -1.26 -5.01 116.66 100.44 2cqv n ARG 45 Ca -0.02 0.70 -0.10 0.00 -1.93 0.00 0.00 57.85 56.50 2cqv n ARG 45 Cb 0.56 -5.36 -0.11 0.00 -1.16 0.00 0.00 32.46 26.39 2cqv n ARG 45 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 2cqv s LYS 46 N -5.93 0.33 0.25 5.56 -2.85 -1.09 -5.14 119.74 110.88 2cqv s LYS 46 Ca 0.40 0.84 -0.31 0.00 -1.00 0.00 0.00 55.97 55.90 2cqv s LYS 46 Cb -0.18 0.07 -0.11 0.00 -2.06 0.00 0.00 37.83 35.55 2cqv s LYS 46 CO 0.62 -0.20 1.64 -1.14 0.10 0.00 0.00 175.35 176.37 2cqv s GLN 47 N 1.87 4.13 0.37 1.78 0.74 -1.26 -0.85 119.66 126.44 2cqv s GLN 47 Ca -0.06 2.58 -0.25 0.00 0.05 0.00 0.00 55.36 57.68 2cqv s GLN 47 Cb -0.10 -3.05 -0.09 0.00 1.10 0.00 0.00 33.01 30.87 2cqv s GLN 47 CO -0.12 -0.68 1.06 0.42 -0.55 0.00 0.00 175.29 175.42 2cqv s ILE 48 N 0.53 3.67 -0.33 -2.34 1.01 -0.69 -4.88 121.20 118.18 2cqv s ILE 48 Ca 0.68 1.36 -0.11 0.00 0.00 0.00 0.00 60.65 62.59 2cqv s ILE 48 Cb -0.48 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 2cqv s ILE 48 CO 0.41 0.08 0.18 -1.10 0.00 0.00 0.00 174.94 174.51 2cqv s GLN 49 N -2.28 3.33 0.23 2.79 -0.21 -1.26 -4.97 119.66 117.29 2cqv s GLN 49 Ca 0.55 -0.74 -0.31 0.00 0.02 0.00 0.00 55.36 54.88 2cqv s GLN 49 Cb -0.24 -3.65 -0.14 0.00 1.00 0.00 0.00 33.01 29.98 2cqv s GLN 49 CO 0.30 -0.45 1.23 0.39 -2.12 0.00 0.00 175.29 174.64 2cqv n GLU 50 N 5.02 1.59 -3.59 2.91 1.02 -1.26 -4.71 120.64 121.62 2cqv n GLU 50 Ca -0.13 0.56 -0.05 0.00 -0.02 0.00 0.00 57.16 57.52 2cqv n GLU 50 Cb 0.49 -2.10 -0.03 0.00 -0.02 0.00 0.00 31.44 29.78 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 -0.03 -0.18 0.66 1.62 0.15 0.13 -4.93 113.70 111.12 2cqv s SER 51 Ca 0.67 0.05 0.15 0.00 0.70 0.00 0.00 55.95 57.51 2cqv s SER 51 Cb -0.73 0.18 0.77 0.00 -1.71 0.00 0.00 66.02 64.54 2cqv s SER 51 CO 0.54 -0.28 1.43 -0.08 1.20 0.00 0.00 173.24 176.05 2cqv h GLU 52 N 2.06 0.00 0.15 5.44 4.81 -1.98 1.37 114.58 126.43 2cqv h GLU 52 Ca -0.12 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.77 2cqv h GLU 52 Cb 1.18 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 2cqv h GLU 52 CO 0.25 0.00 -1.79 0.45 -0.73 0.00 0.00 179.01 177.18 2cqv h HIS 53 N 0.00 0.56 -3.15 0.92 3.86 -1.91 -3.38 115.15 112.05 2cqv h HIS 53 Ca 0.02 -0.41 -0.56 0.00 -1.16 0.00 0.00 60.37 58.26 2cqv h HIS 53 Cb 1.44 -0.02 -0.40 0.00 1.06 0.00 0.00 27.41 29.48 2cqv h HIS 53 CO 0.00 1.63 -0.76 -1.64 0.86 0.00 0.00 177.93 178.02 2cqv s MET 54 N -2.58 0.67 0.42 2.45 -1.94 0.47 0.15 119.30 118.94 2cqv s MET 54 Ca -0.16 -0.88 0.08 0.00 -1.71 0.00 0.00 55.69 53.01 2cqv s MET 54 Cb 0.06 -1.94 0.00 0.00 2.01 0.00 0.00 34.83 34.97 2cqv s MET 54 CO 0.83 -0.91 0.52 0.15 -0.01 0.00 0.00 175.02 175.59 2cqv s LYS 55 N 1.71 2.76 -0.04 2.03 1.02 -0.04 0.20 119.74 127.38 2cqv s LYS 55 Ca 0.07 -1.31 -0.03 0.00 0.02 0.00 0.00 55.97 54.72 2cqv s LYS 55 Cb -0.17 -2.66 0.01 0.00 -0.52 0.00 0.00 37.83 34.49 2cqv s LYS 55 CO -0.23 -0.24 0.10 0.08 -0.92 0.00 0.00 175.35 174.14 2cqv s VAL 56 N -2.38 -0.01 -0.65 3.17 1.01 -1.26 -2.11 120.40 118.18 2cqv s VAL 56 Ca 0.53 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.58 2cqv s VAL 56 Cb -0.08 -0.15 0.16 0.00 0.00 0.00 0.00 36.38 36.31 2cqv s VAL 56 CO 0.32 0.01 0.44 -0.70 0.00 0.00 0.00 175.10 175.16 2cqv s GLU 57 N 0.18 2.30 0.14 2.72 2.12 -0.48 -4.96 118.70 120.72 2cqv s GLU 57 Ca -0.01 -3.14 -0.31 0.00 0.36 0.00 0.00 54.97 51.87 2cqv s GLU 57 Cb -0.02 -3.33 -0.08 0.00 0.26 0.00 0.00 34.13 30.96 2cqv s GLU 57 CO -0.00 -1.25 1.35 0.54 -0.54 0.00 0.00 175.26 175.35 2cqv s ASN 58 N -1.14 6.87 0.33 -1.70 2.20 -1.26 -3.04 114.94 117.20 2cqv s ASN 58 Ca 0.23 2.33 -0.15 0.00 -0.94 0.00 0.00 52.86 54.34 2cqv s ASN 58 Cb -0.09 -2.59 0.03 0.00 -2.00 0.00 0.00 41.25 36.59 2cqv s ASN 58 CO -0.13 -0.59 0.68 -0.44 -2.94 0.00 0.00 177.10 173.68 2cqv s SER 59 N 0.83 0.07 0.05 3.54 0.01 -0.31 -5.02 113.70 112.86 2cqv s SER 59 Ca 0.61 -1.04 -0.23 0.00 1.31 0.00 0.00 55.95 56.61 2cqv s SER 59 Cb -0.36 0.76 -0.12 0.00 0.21 0.00 0.00 66.02 66.51 2cqv s SER 59 CO 0.33 -1.47 1.35 -0.08 0.41 0.00 0.00 173.24 173.77 2cqv h GLU 60 N 2.05 -0.70 -0.95 12.44 4.81 -1.94 -2.67 114.58 127.62 2cqv h GLU 60 Ca -0.27 0.05 0.34 0.00 -0.13 0.00 0.00 59.36 59.34 2cqv h GLU 60 Cb 1.25 0.16 -0.17 0.00 0.63 0.00 0.00 28.75 30.61 2cqv h GLU 60 CO 0.35 -0.47 0.30 0.27 -0.73 0.00 0.00 179.01 178.73 2cqv n ASN 61 N -4.29 0.14 0.00 1.04 0.23 -1.26 -4.76 115.26 106.36 2cqv n ASN 61 Ca -0.09 1.59 0.00 0.00 -0.53 0.00 0.00 54.58 55.55 2cqv n ASN 61 Cb 0.31 -0.69 0.00 0.00 -2.08 0.00 0.00 39.78 37.32 2cqv n ASN 61 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2cqv n GLY 62 N -1.35 -0.63 2.99 4.83 0.00 -1.01 -0.22 105.19 109.80 2cqv n GLY 62 Ca 0.30 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 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 0.15 0.07 1.61 0.15 -1.25 -1.16 113.70 109.27 2cqv s SER 63 Ca 0.00 -0.35 0.07 0.00 0.70 0.00 0.00 55.95 56.37 2cqv s SER 63 Cb 0.00 0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.40 2cqv s SER 63 CO 0.00 -0.26 -0.18 -0.75 1.20 0.00 0.00 173.24 173.24 2cqv s LYS 64 N -1.19 1.10 -0.35 5.44 2.20 -1.17 -1.66 119.74 124.11 2cqv s LYS 64 Ca -0.13 -0.99 0.01 0.00 -0.36 0.00 0.00 55.97 54.50 2cqv s LYS 64 Cb -0.08 -1.23 0.11 0.00 -1.51 0.00 0.00 37.83 35.12 2cqv s LYS 64 CO -0.00 0.30 0.12 -1.17 -0.36 0.00 0.00 175.35 174.24 2cqv s LEU 65 N -1.54 3.03 -0.26 5.43 2.96 0.44 -1.38 118.68 127.36 2cqv s LEU 65 Ca 0.04 -2.03 -0.23 0.00 -0.22 0.00 0.00 54.13 51.69 2cqv s LEU 65 Cb -0.09 -1.12 -0.01 0.00 0.50 0.00 0.00 46.19 45.47 2cqv s LEU 65 CO 0.03 -0.37 0.77 -0.89 -1.32 0.00 0.00 176.35 174.57 2cqv s THR 66 N 1.10 4.87 -0.42 3.68 2.01 -0.90 -2.76 115.64 123.22 2cqv s THR 66 Ca 0.12 1.37 -0.12 0.00 0.31 0.00 0.00 61.69 63.37 2cqv s THR 66 Cb -0.20 -4.07 0.06 0.00 0.01 0.00 0.00 72.50 68.30 2cqv s THR 66 CO -0.15 -0.08 0.29 -0.63 -0.69 0.00 0.00 174.62 173.36 2cqv s ILE 67 N 2.78 4.74 0.29 1.82 1.01 -1.04 -0.86 121.20 129.93 2cqv s ILE 67 Ca 0.32 -1.06 -0.19 0.00 0.00 0.00 0.00 60.65 59.72 2cqv s ILE 67 Cb -0.15 -3.78 -0.09 0.00 0.01 0.00 0.00 42.46 38.45 2cqv s ILE 67 CO 0.09 -0.43 0.78 -0.76 0.00 0.00 0.00 174.94 174.61 2cqv s LEU 68 N 1.55 4.22 -1.33 2.97 2.01 0.12 -3.09 118.68 125.14 2cqv s LEU 68 Ca 0.03 1.45 -0.09 0.00 0.01 0.00 0.00 54.13 55.53 2cqv s LEU 68 Cb -0.22 -3.88 0.00 0.00 0.01 0.00 0.00 46.19 42.10 2cqv s LEU 68 CO 0.06 -0.09 0.51 0.00 1.01 0.00 0.00 176.35 177.84 2cqv n ALA 69 N 0.24 -2.21 -0.89 4.21 0.00 -1.14 -4.61 120.51 116.11 2cqv n ALA 69 Ca 0.01 -0.30 -0.41 0.00 0.00 0.00 0.00 53.44 52.73 2cqv n ALA 69 Cb 0.52 -2.24 -0.08 0.00 0.00 0.00 0.00 19.45 17.65 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 -4.42 0.01 -2.47 0.00 0.00 -0.90 -4.16 120.51 108.56 2cqv n ALA 70 Ca -0.24 0.16 -0.31 0.00 0.00 0.00 0.00 53.44 53.05 2cqv n ALA 70 Cb 0.65 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 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 3.77 3.73 0.54 0.00 1.81 -1.26 0.76 118.95 128.30 2cqv s ARG 71 Ca 0.79 0.16 0.25 0.00 -1.72 0.00 0.00 55.73 55.21 2cqv s ARG 71 Cb -1.01 -2.66 1.42 0.00 -0.45 0.00 0.00 34.95 32.25 2cqv s ARG 71 CO 0.46 0.29 2.02 0.37 -0.68 0.00 0.00 175.30 177.75 2cqv h GLN 72 N 2.25 0.00 -0.11 3.54 5.75 -1.92 -0.94 115.11 123.68 2cqv h GLN 72 Ca -0.47 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 57.85 2cqv h GLN 72 Cb 1.18 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.74 2cqv h GLN 72 CO 0.68 0.00 -0.64 1.05 -2.65 0.00 0.00 178.83 177.27 2cqv h GLU 73 N 0.00 0.62 -1.23 1.69 4.11 -1.97 -3.16 114.58 114.64 2cqv h GLU 73 Ca 0.20 -0.53 0.43 0.00 0.07 0.00 0.00 59.36 59.54 2cqv h GLU 73 Cb 0.85 0.12 -0.13 0.00 0.50 0.00 0.00 28.75 30.08 2cqv h GLU 73 CO -0.00 1.15 0.78 0.72 0.07 0.00 0.00 179.01 181.72 2cqv n HIS 74 N -4.10 0.70 -1.56 2.06 8.25 -0.36 -4.43 115.22 115.79 2cqv n HIS 74 Ca -0.08 0.71 -0.62 0.00 -0.26 0.00 0.00 57.72 57.46 2cqv n HIS 74 Cb 0.68 -1.13 -0.10 0.00 1.12 0.00 0.00 29.99 30.55 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 5.39 1.14 3.72 0.00 0.00 -1.17 -5.00 105.19 109.27 2cqv n GLY 76 Ca 0.39 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 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 0.72 1.98 -0.19 0.00 1.51 -0.24 -2.73 117.35 118.40 2cqv s TYR 78 Ca 0.33 -0.62 -0.09 0.00 -1.01 0.00 0.00 57.07 55.68 2cqv s TYR 78 Cb -0.17 -2.23 0.07 0.00 -0.11 0.00 0.00 41.96 39.53 2cqv s TYR 78 CO 0.15 -0.76 0.43 0.99 -1.11 0.00 0.00 175.55 175.25 2cqv s THR 79 N -2.56 -0.27 -0.43 -0.71 2.01 0.15 -2.52 115.64 111.31 2cqv s THR 79 Ca 0.56 0.11 -0.11 0.00 0.31 0.00 0.00 61.69 62.56 2cqv s THR 79 Cb -0.06 -0.66 0.07 0.00 0.01 0.00 0.00 72.50 71.86 2cqv s THR 79 CO 0.34 0.05 0.28 -0.22 -0.69 0.00 0.00 174.62 174.38 2cqv s LEU 80 N 1.89 5.21 -0.26 4.42 2.96 -1.20 -0.77 118.68 130.94 2cqv s LEU 80 Ca -0.07 -1.41 -0.15 0.00 -0.22 0.00 0.00 54.13 52.28 2cqv s LEU 80 Cb -0.10 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 2cqv s LEU 80 CO -0.13 -0.55 0.37 -0.22 -1.32 0.00 0.00 176.35 174.50 2cqv s LEU 81 N 1.49 4.06 -0.28 -0.68 2.96 -0.16 -1.96 118.68 124.10 2cqv s LEU 81 Ca 0.03 0.32 0.02 0.00 -0.22 0.00 0.00 54.13 54.28 2cqv s LEU 81 Cb -0.23 -2.43 0.06 0.00 0.50 0.00 0.00 46.19 44.09 2cqv s LEU 81 CO 0.04 -0.15 -0.07 0.68 -1.32 0.00 0.00 176.35 175.52 2cqv s VAL 82 N 1.89 2.38 -0.08 1.68 -7.23 0.64 -0.32 120.40 119.37 2cqv s VAL 82 Ca 0.15 -1.65 -0.01 0.00 -1.81 0.00 0.00 61.98 58.67 2cqv s VAL 82 Cb -0.15 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 2cqv s VAL 82 CO 0.09 -0.10 -0.03 -1.61 -0.31 0.00 0.00 175.10 173.14 2cqv s GLU 83 N 1.12 2.87 0.07 4.82 2.02 -1.10 -0.74 118.70 127.76 2cqv s GLU 83 Ca -0.06 -0.47 -0.11 0.00 0.02 0.00 0.00 54.97 54.34 2cqv s GLU 83 Cb -0.20 -2.70 0.01 0.00 0.10 0.00 0.00 34.13 31.34 2cqv s GLU 83 CO -0.04 0.68 0.26 1.21 0.02 0.00 0.00 175.26 177.39 2cqv s ASN 84 N -0.87 -0.02 0.23 -0.19 2.47 0.43 -0.66 114.94 116.32 2cqv s ASN 84 Ca 0.13 -0.41 0.01 0.00 0.42 0.00 0.00 52.86 53.02 2cqv s ASN 84 Cb -0.11 0.36 0.56 0.00 -1.45 0.00 0.00 41.25 40.60 2cqv s ASN 84 CO 0.02 -0.68 1.15 1.17 -3.72 0.00 0.00 177.10 175.04 2cqv n LYS 85 N 0.25 -0.06 0.00 0.43 3.00 -1.26 -1.43 118.16 119.08 2cqv n LYS 85 Ca -0.17 1.10 0.00 0.00 -0.00 0.00 0.00 58.31 59.24 2cqv n LYS 85 Cb 0.61 -1.74 0.00 0.00 0.00 0.00 0.00 35.03 33.90 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 -5.01 0.04 0.00 3.14 4.77 -1.26 -5.02 117.00 113.66 2cqv n LEU 86 Ca 0.17 0.74 0.00 0.00 -0.03 0.00 0.00 56.01 56.89 2cqv n LEU 86 Cb 0.56 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2cqv n LEU 86 CO -0.06 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.37 2cqv n GLY 87 N -0.67 4.52 3.84 -0.72 0.00 -0.52 -4.95 105.19 106.69 2cqv n GLY 87 Ca 0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.04 0.03 1.61 1.04 -1.26 -0.43 113.70 115.95 2cqv s SER 88 Ca 0.00 -0.80 -0.28 0.00 0.48 0.00 0.00 55.95 55.35 2cqv s SER 88 Cb 0.00 0.64 0.10 0.00 0.10 0.00 0.00 66.02 66.86 2cqv s SER 88 CO 0.00 -1.25 0.83 -0.60 0.98 0.00 0.00 173.24 173.20 2cqv s ARG 89 N -2.50 0.91 -0.16 4.02 6.06 0.08 -4.66 118.95 122.70 2cqv s ARG 89 Ca 0.17 -0.33 -0.07 0.00 -2.50 0.00 0.00 55.73 53.00 2cqv s ARG 89 Cb -0.04 0.42 0.06 0.00 0.06 0.00 0.00 34.95 35.46 2cqv s ARG 89 CO 0.07 -0.40 0.36 1.14 -2.50 0.00 0.00 175.30 173.97 2cqv s GLN 90 N -3.22 0.30 0.32 5.12 -2.07 -1.26 -0.26 119.66 118.59 2cqv s GLN 90 Ca 0.04 0.79 0.03 0.00 -1.82 0.00 0.00 55.36 54.40 2cqv s GLN 90 Cb -0.01 0.03 0.03 0.00 -1.09 0.00 0.00 33.01 31.98 2cqv s GLN 90 CO -0.10 -0.20 0.27 0.00 -1.32 0.00 0.00 175.29 173.95 2cqv n ALA 91 N 4.67 0.52 -3.49 2.60 0.00 -0.83 -4.92 120.51 119.07 2cqv n ALA 91 Ca -0.18 -1.25 -0.14 0.00 0.00 0.00 0.00 53.44 51.87 2cqv n ALA 91 Cb 0.53 0.48 -0.08 0.00 0.00 0.00 0.00 19.45 20.38 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 -3.33 0.77 -0.05 0.00 -0.21 -1.26 -3.21 119.66 112.38 2cqv s GLN 92 Ca 0.21 0.65 -0.06 0.00 0.02 0.00 0.00 55.36 56.18 2cqv s GLN 92 Cb -0.02 0.37 0.01 0.00 1.00 0.00 0.00 33.01 34.38 2cqv s GLN 92 CO 0.13 -0.14 0.16 0.54 -2.12 0.00 0.00 175.29 173.86 2cqv s VAL 93 N -0.10 0.01 -0.21 1.09 0.11 -1.05 -4.95 120.40 115.30 2cqv s VAL 93 Ca -0.03 -0.10 -0.10 0.00 -2.93 0.00 0.00 61.98 58.82 2cqv s VAL 93 Cb -0.03 -0.26 -0.05 0.00 -1.53 0.00 0.00 36.38 34.50 2cqv s VAL 93 CO 0.03 -0.05 0.13 0.20 -3.33 0.00 0.00 175.10 172.08 2cqv s ASN 94 N -0.12 6.15 0.19 3.54 0.01 -1.26 -1.08 114.94 122.36 2cqv s ASN 94 Ca -0.02 0.19 0.09 0.00 -0.71 0.00 0.00 52.86 52.41 2cqv s ASN 94 Cb -0.02 -2.09 -0.04 0.00 0.41 0.00 0.00 41.25 39.51 2cqv s ASN 94 CO 0.00 0.15 -0.19 -0.22 -1.51 0.00 0.00 177.10 175.33 2cqv s LEU 95 N 0.56 2.47 -0.06 0.60 2.96 -1.12 -1.64 118.68 122.45 2cqv s LEU 95 Ca 0.08 -0.91 -0.06 0.00 -0.22 0.00 0.00 54.13 53.03 2cqv s LEU 95 Cb -0.12 -0.91 0.02 0.00 0.50 0.00 0.00 46.19 45.68 2cqv s LEU 95 CO -0.00 -0.01 0.16 -0.89 -1.32 0.00 0.00 176.35 174.29 2cqv s THR 96 N -2.16 -0.00 -0.11 3.68 2.01 -1.09 -3.05 115.64 114.92 2cqv s THR 96 Ca 0.19 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.18 2cqv s THR 96 Cb -0.05 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 72.19 2cqv s THR 96 CO 0.08 0.00 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.30 2cqv s VAL 97 N 0.14 4.03 -0.07 3.82 1.01 -1.26 -0.66 120.40 127.42 2cqv s VAL 97 Ca -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 2cqv s VAL 97 Cb -0.02 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.68 2cqv s VAL 97 CO -0.00 0.56 -0.02 0.68 0.00 0.00 0.00 175.10 176.31 2cqv s VAL 98 N -0.37 0.50 -1.10 2.92 -7.23 -0.45 -4.84 120.40 109.83 2cqv s VAL 98 Ca 0.06 -0.00 0.18 0.00 -1.81 0.00 0.00 61.98 60.41 2cqv s VAL 98 Cb -0.12 -0.60 0.72 0.00 0.56 0.00 0.00 36.38 36.94 2cqv s VAL 98 CO 0.02 0.26 1.63 -0.67 -0.31 0.00 0.00 175.10 176.03 2cqv n ASP 99 N 4.76 4.77 -3.50 4.85 2.03 -1.26 0.20 116.55 128.40 2cqv n ASP 99 Ca -0.14 -2.46 -0.16 0.00 0.52 0.00 0.00 54.79 52.56 2cqv n ASP 99 Cb 0.50 -0.58 -0.05 0.00 -0.72 0.00 0.00 41.12 40.28 2cqv n ASP 99 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2cqv s LYS 100 N -1.87 1.06 0.47 -0.67 0.00 -1.26 -4.96 119.74 112.51 2cqv s LYS 100 Ca 0.51 0.07 -0.23 0.00 0.00 0.00 0.00 55.97 56.33 2cqv s LYS 100 Cb 0.33 0.50 -0.07 0.00 0.00 0.00 0.00 37.83 38.59 2cqv s LYS 100 CO 0.24 -0.37 1.16 -1.25 0.00 0.00 0.00 175.35 175.14 2cqv s PRO 101 N -1.81 3.71 0.25 1.78 0.04 -1.26 -5.01 135.00 132.70 2cqv s PRO 101 Ca -0.07 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 62.44 2cqv s PRO 101 Cb -0.00 -2.36 -0.09 0.00 0.04 0.00 0.00 34.50 32.09 2cqv s PRO 101 CO 0.04 -0.59 0.93 0.34 0.04 0.00 0.00 177.00 177.76 2cqv s ASP 102 N -1.41 7.57 0.65 6.66 2.15 -1.26 -5.04 116.67 125.99 2cqv s ASP 102 Ca 0.65 1.90 -0.15 0.00 0.43 0.00 0.00 52.55 55.38 2cqv s ASP 102 Cb -0.28 -2.60 -0.01 0.00 -0.30 0.00 0.00 42.92 39.74 2cqv s ASP 102 CO 0.34 0.12 1.11 -2.16 -0.17 0.00 0.00 175.17 174.41 2cqv s PRO 103 N -1.35 2.85 -0.31 4.34 0.04 -1.26 -4.95 135.00 134.36 2cqv s PRO 103 Ca 0.42 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.59 2cqv s PRO 103 Cb -0.24 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 2cqv s PRO 103 CO 0.30 -1.21 1.67 -1.25 0.04 0.00 0.00 177.00 176.55 2cqv s PRO 104 N -4.02 3.52 0.48 0.56 0.04 -1.26 -5.00 135.00 129.32 2cqv s PRO 104 Ca 0.68 1.41 0.08 0.00 0.04 0.00 0.00 61.00 63.21 2cqv s PRO 104 Cb -0.21 -4.12 0.04 0.00 0.04 0.00 0.00 34.50 30.25 2cqv s PRO 104 CO 0.40 -1.63 0.62 0.00 0.04 0.00 0.00 177.00 176.43 2cqv s ALA 105 N 6.10 4.54 0.00 8.56 0.00 -1.26 -5.00 121.76 134.70 2cqv s ALA 105 Ca 0.74 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.86 2cqv s ALA 105 Cb -0.22 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.45 2cqv s ALA 105 CO 0.32 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.00 2cqv n GLY 106 N -1.95 -0.78 3.14 0.00 0.00 -1.26 -5.13 105.19 99.20 2cqv n GLY 106 Ca 0.10 0.27 -0.11 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 0.09 0.31 2.61 -4.23 -1.26 -5.05 115.64 108.11 2cqv s THR 107 Ca 0.00 -0.73 0.10 0.00 -1.18 0.00 0.00 61.69 59.88 2cqv s THR 107 Cb 0.00 -0.57 0.03 0.00 1.34 0.00 0.00 72.50 73.30 2cqv s THR 107 CO 0.00 -0.40 1.71 1.55 -0.54 0.00 0.00 174.62 176.94 2cqv h PRO 108 N 4.04 0.05 -3.80 3.99 0.13 -2.02 -3.44 132.00 130.95 2cqv h PRO 108 Ca -0.31 -0.03 -0.25 0.00 -0.87 0.00 0.00 66.00 64.54 2cqv h PRO 108 Cb 1.19 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.04 2cqv h PRO 108 CO 0.42 0.53 -0.73 -1.54 -0.23 0.00 0.00 178.00 176.46 2cqv s SER 109 N -6.89 0.09 -0.36 1.44 1.04 -1.26 -5.09 113.70 102.67 2cqv s SER 109 Ca -0.03 -0.01 -0.02 0.00 0.48 0.00 0.00 55.95 56.37 2cqv s SER 109 Cb 0.13 -0.01 0.25 0.00 0.10 0.00 0.00 66.02 66.49 2cqv s SER 109 CO 0.75 0.00 1.13 0.61 0.98 0.00 0.00 173.24 176.71 2cqv n GLY 110 N 3.11 -1.48 3.55 7.32 0.00 -1.26 -5.10 105.19 111.32 2cqv n GLY 110 Ca -0.13 0.97 -0.35 0.00 0.00 0.00 0.00 46.02 46.52 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 0.49 2.60 0.18 1.61 0.04 -1.26 -4.94 135.00 133.72 2cqv s PRO 111 Ca 0.26 0.34 -0.33 0.00 0.04 0.00 0.00 61.00 61.32 2cqv s PRO 111 Cb 0.17 -4.59 -0.15 0.00 0.04 0.00 0.00 34.50 29.97 2cqv s PRO 111 CO -0.11 -2.93 1.18 0.43 0.04 0.00 0.00 177.00 175.61 2cqv n SER 112 N 13.14 1.44 -4.28 6.66 7.64 -1.26 -4.91 113.62 132.04 2cqv n SER 112 Ca 0.26 1.14 -0.45 0.00 1.01 0.00 0.00 58.87 60.84 2cqv n SER 112 Cb 0.51 -1.23 -0.04 0.00 -1.01 0.00 0.00 64.21 62.43 2cqv n SER 112 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cqv s SER 113 N 0.01 6.32 0.00 6.43 0.01 -1.26 -5.36 113.70 119.86 2cqv s SER 113 Ca 0.73 -2.41 0.00 0.00 1.31 0.00 0.00 55.95 55.58 2cqv s SER 113 Cb -0.84 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 63.25 2cqv s SER 113 CO 0.52 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 174.15