#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 -0.65 -0.07 1.61 0.01 -1.26 -5.16 113.70 108.18 2cqv s SER 2 Ca 0.00 1.00 0.03 0.00 1.31 0.00 0.00 55.95 58.29 2cqv s SER 2 Cb 0.00 0.93 0.01 0.00 0.21 0.00 0.00 66.02 67.16 2cqv s SER 2 CO 0.00 -0.39 -0.15 -0.94 0.41 0.00 0.00 173.24 172.16 2cqv s SER 3 N -0.40 2.12 0.82 2.44 1.04 -1.26 -5.03 113.70 113.44 2cqv s SER 3 Ca -0.04 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.02 2cqv s SER 3 Cb -0.03 -0.96 0.00 0.00 0.10 0.00 0.00 66.02 65.14 2cqv s SER 3 CO 0.04 0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.94 2cqv n GLY 4 N 3.70 1.10 4.20 7.32 0.00 -1.26 -4.94 105.19 115.31 2cqv n GLY 4 Ca -0.22 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 2cqv n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cqv n SER 5 N 6.47 -0.20 -0.08 1.61 7.64 -1.26 -4.86 113.62 122.94 2cqv n SER 5 Ca 0.00 -1.15 -0.17 0.00 1.01 0.00 0.00 58.87 58.55 2cqv n SER 5 Cb 0.00 -2.22 -0.13 0.00 -1.01 0.00 0.00 64.21 60.85 2cqv n SER 5 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2cqv h SER 6 N -1.69 0.03 0.00 6.43 0.87 -1.92 -3.48 113.55 113.80 2cqv h SER 6 Ca -0.64 -0.81 0.00 0.00 -1.23 0.00 0.00 61.79 59.12 2cqv h SER 6 Cb 1.39 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 2cqv h SER 6 CO 0.71 1.23 0.00 0.61 -0.53 0.00 0.00 176.83 178.84 2cqv n GLY 7 N 1.55 1.03 3.68 5.77 0.00 -1.26 -4.31 105.19 111.65 2cqv n GLY 7 Ca -0.19 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.00 4.25 0.06 1.61 0.04 -1.25 -4.37 135.00 133.34 2cqv s PRO 8 Ca 0.00 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.10 2cqv s PRO 8 Cb 0.00 -3.65 -0.03 0.00 0.04 0.00 0.00 34.50 30.86 2cqv s PRO 8 CO 0.00 -0.65 -0.10 1.14 0.04 0.00 0.00 177.00 177.43 2cqv s GLN 9 N 2.77 0.66 -0.57 4.56 -2.07 -0.78 -4.09 119.66 120.14 2cqv s GLN 9 Ca 0.66 -0.88 -0.11 0.00 -1.82 0.00 0.00 55.36 53.21 2cqv s GLN 9 Cb -0.32 -0.48 0.14 0.00 -1.09 0.00 0.00 33.01 31.26 2cqv s GLN 9 CO 0.27 0.09 0.47 0.42 -1.32 0.00 0.00 175.29 175.22 2cqv s ILE 10 N -1.53 4.66 -0.16 3.63 1.01 -1.26 -1.82 121.20 125.73 2cqv s ILE 10 Ca -0.05 -1.96 0.16 0.00 0.00 0.00 0.00 60.65 58.80 2cqv s ILE 10 Cb -0.09 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.40 2cqv s ILE 10 CO 0.01 -0.86 1.29 0.16 0.00 0.00 0.00 174.94 175.54 2cqv h ILE 11 N 5.75 0.71 -3.32 2.92 -2.65 -1.91 -3.44 117.51 115.57 2cqv h ILE 11 Ca -0.16 -2.08 -0.64 0.00 1.03 0.00 0.00 64.86 63.01 2cqv h ILE 11 Cb 1.06 2.28 -0.33 0.00 -2.05 0.00 0.00 36.82 37.78 2cqv h ILE 11 CO 0.87 0.41 -0.86 -1.10 0.03 0.00 0.00 178.15 177.50 2cqv s GLN 12 N -2.98 2.75 -0.28 0.16 -0.21 -1.25 -5.02 119.66 112.84 2cqv s GLN 12 Ca 0.02 -0.77 -0.25 0.00 0.02 0.00 0.00 55.36 54.38 2cqv s GLN 12 Cb 0.08 -2.15 0.12 0.00 1.00 0.00 0.00 33.01 32.06 2cqv s GLN 12 CO 0.76 0.10 0.99 0.12 -2.12 0.00 0.00 175.29 175.13 2cqv s PHE 13 N 0.54 -0.52 0.41 0.91 5.36 -1.26 -2.11 117.98 121.30 2cqv s PHE 13 Ca -0.15 1.27 -0.25 0.00 -0.96 0.00 0.00 56.93 56.84 2cqv s PHE 13 Cb -0.17 0.35 -0.08 0.00 -0.34 0.00 0.00 43.02 42.78 2cqv s PHE 13 CO 0.05 -0.25 1.19 -1.25 -1.46 0.00 0.00 175.22 173.49 2cqv s PRO 14 N 0.29 3.98 0.54 10.12 0.04 -1.26 -5.05 135.00 143.66 2cqv s PRO 14 Ca 0.02 1.87 0.09 0.00 0.04 0.00 0.00 61.00 63.02 2cqv s PRO 14 Cb -0.05 -2.63 0.06 0.00 0.04 0.00 0.00 34.50 31.92 2cqv s PRO 14 CO -0.06 -0.39 0.68 -1.21 0.04 0.00 0.00 177.00 176.06 2cqv s GLU 15 N -2.37 2.39 -0.47 4.56 0.41 -1.26 -4.70 118.70 117.26 2cqv s GLU 15 Ca 0.58 -1.63 -0.43 0.00 -0.41 0.00 0.00 54.97 53.09 2cqv s GLU 15 Cb -0.31 -2.57 -0.18 0.00 -1.78 0.00 0.00 34.13 29.29 2cqv s GLU 15 CO 0.39 -0.70 1.79 -0.40 -0.49 0.00 0.00 175.26 175.85 2cqv n ASP 16 N -2.07 0.89 -3.95 -0.19 5.75 -1.26 -4.72 116.55 111.00 2cqv n ASP 16 Ca 0.11 0.85 -0.18 0.00 -0.01 0.00 0.00 54.79 55.56 2cqv n ASP 16 Cb 0.62 -0.84 -0.09 0.00 -1.03 0.00 0.00 41.12 39.78 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 4.41 1.58 0.39 0.11 -2.07 -0.86 -4.97 119.66 118.24 2cqv s GLN 17 Ca 1.07 -1.90 0.08 0.00 -1.82 0.00 0.00 55.36 52.79 2cqv s GLN 17 Cb -1.41 -0.03 -0.07 0.00 -1.09 0.00 0.00 33.01 30.40 2cqv s GLN 17 CO 0.69 -0.46 -0.03 0.21 -1.32 0.00 0.00 175.29 174.38 2cqv s LYS 18 N -3.81 1.91 -0.26 9.60 2.20 -1.26 -2.90 119.74 125.22 2cqv s LYS 18 Ca 0.36 -2.05 -0.22 0.00 -0.36 0.00 0.00 55.97 53.70 2cqv s LYS 18 Cb 0.05 -1.65 0.07 0.00 -1.51 0.00 0.00 37.83 34.79 2cqv s LYS 18 CO 0.18 0.01 0.69 0.54 -0.36 0.00 0.00 175.35 176.41 2cqv s VAL 19 N -2.68 -0.00 0.12 4.02 0.11 0.08 -4.88 120.40 117.16 2cqv s VAL 19 Ca 0.34 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.09 2cqv s VAL 19 Cb 0.07 -0.96 -0.06 0.00 -1.53 0.00 0.00 36.38 33.90 2cqv s VAL 19 CO 0.17 0.00 1.07 -0.13 -3.33 0.00 0.00 175.10 172.88 2cqv s ARG 20 N 0.66 4.59 -0.29 1.54 1.81 -1.26 -0.76 118.95 125.23 2cqv s ARG 20 Ca -0.02 1.63 -0.35 0.00 -1.72 0.00 0.00 55.73 55.27 2cqv s ARG 20 Cb -0.05 -3.33 -0.11 0.00 -0.45 0.00 0.00 34.95 31.01 2cqv s ARG 20 CO -0.04 0.04 2.12 0.00 -0.68 0.00 0.00 175.30 176.74 2cqv n ALA 21 N 2.89 1.03 0.00 2.13 0.00 0.90 -0.07 120.51 127.39 2cqv n ALA 21 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2cqv n ALA 21 Cb 0.47 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.37 2cqv n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cqv n GLY 22 N 5.98 2.77 2.07 0.00 0.00 0.28 -4.85 105.19 111.45 2cqv n GLY 22 Ca 0.36 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.91 -2.65 -4.19 1.61 -0.58 0.90 -3.46 120.64 111.36 2cqv n GLU 23 Ca 0.00 -1.02 -0.27 0.00 -0.42 0.00 0.00 57.16 55.45 2cqv n GLU 23 Cb 0.00 -1.03 -0.17 0.00 -0.57 0.00 0.00 31.44 29.68 2cqv n GLU 23 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2cqv s SER 24 N -3.15 2.21 0.20 1.62 1.04 -1.26 -2.29 113.70 112.08 2cqv s SER 24 Ca 0.42 -0.35 0.09 0.00 0.48 0.00 0.00 55.95 56.59 2cqv s SER 24 Cb -0.05 -0.94 -0.04 0.00 0.10 0.00 0.00 66.02 65.09 2cqv s SER 24 CO 0.33 -0.05 -0.08 0.54 0.98 0.00 0.00 173.24 174.96 2cqv s VAL 25 N 1.28 3.20 -0.28 5.02 0.11 -1.15 -4.97 120.40 123.61 2cqv s VAL 25 Ca -0.02 -1.76 -0.01 0.00 -2.93 0.00 0.00 61.98 57.26 2cqv s VAL 25 Cb -0.14 -2.62 0.09 0.00 -1.53 0.00 0.00 36.38 32.19 2cqv s VAL 25 CO -0.04 -0.18 0.08 -1.61 -3.33 0.00 0.00 175.10 170.01 2cqv s GLU 26 N -3.04 0.77 -0.44 1.54 8.01 -1.26 -1.80 118.70 122.48 2cqv s GLU 26 Ca 0.26 -0.95 -0.16 0.00 0.01 0.00 0.00 54.97 54.13 2cqv s GLU 26 Cb -0.08 -2.06 0.04 0.00 -4.31 0.00 0.00 34.13 27.73 2cqv s GLU 26 CO 0.16 -0.90 0.37 -0.51 0.01 0.00 0.00 175.26 174.39 2cqv s LEU 27 N 1.64 5.28 -0.05 1.80 1.43 -0.95 -4.94 118.68 122.90 2cqv s LEU 27 Ca 0.07 -1.05 0.05 0.00 -1.03 0.00 0.00 54.13 52.17 2cqv s LEU 27 Cb -0.17 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.82 2cqv s LEU 27 CO -0.21 -0.56 -0.20 0.12 0.23 0.00 0.00 176.35 175.73 2cqv s PHE 28 N 1.76 2.53 -0.47 0.29 5.36 -1.26 -0.33 117.98 125.87 2cqv s PHE 28 Ca 0.06 -0.43 0.03 0.00 -0.96 0.00 0.00 56.93 55.63 2cqv s PHE 28 Cb -0.21 -1.60 0.13 0.00 -0.34 0.00 0.00 43.02 41.00 2cqv s PHE 28 CO 0.09 -0.02 0.24 0.20 -1.46 0.00 0.00 175.22 174.27 2cqv s GLY 29 N -0.45 2.00 0.16 13.12 0.00 -0.75 -4.28 107.32 117.12 2cqv s GLY 29 Ca 0.05 -2.86 -0.33 0.00 0.00 0.00 0.00 44.72 41.58 2cqv s GLY 29 CO 0.01 1.30 1.27 1.17 0.00 0.00 0.00 173.10 176.85 2cqv n LYS 30 N 3.42 1.38 -4.86 2.90 4.81 -0.90 -3.73 118.16 121.18 2cqv n LYS 30 Ca 0.07 0.49 -0.25 0.00 -0.87 0.00 0.00 58.31 57.75 2cqv n LYS 30 Cb 0.34 -2.07 -0.15 0.00 0.02 0.00 0.00 35.03 33.17 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 1.48 0.12 3.15 -7.23 0.52 -3.09 120.40 115.41 2cqv s VAL 31 Ca 0.75 -0.84 0.07 0.00 -1.81 0.00 0.00 61.98 60.15 2cqv s VAL 31 Cb -0.83 -1.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 2cqv s VAL 31 CO 0.50 0.38 -0.17 0.28 -0.31 0.00 0.00 175.10 175.78 2cqv s THR 32 N -0.48 1.58 0.00 5.32 -1.32 -0.75 -4.58 115.64 115.40 2cqv s THR 32 Ca 0.07 -1.68 0.00 0.00 -1.21 0.00 0.00 61.69 58.87 2cqv s THR 32 Cb -0.07 -1.58 0.00 0.00 -1.51 0.00 0.00 72.50 69.33 2cqv s THR 32 CO -0.00 -0.25 0.00 0.61 -2.21 0.00 0.00 174.62 172.76 2cqv n GLY 33 N 0.72 -0.29 2.76 6.08 0.00 -1.26 -1.87 105.19 111.33 2cqv n GLY 33 Ca -0.17 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 0.55 0.62 2.61 2.01 -1.26 -4.76 115.64 115.41 2cqv s THR 34 Ca 0.00 -0.41 -0.15 0.00 0.31 0.00 0.00 61.69 61.44 2cqv s THR 34 Cb 0.00 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 2cqv s THR 34 CO 0.00 -0.07 1.06 -1.10 -0.69 0.00 0.00 174.62 173.82 2cqv s GLN 35 N 1.86 3.18 0.78 4.92 -1.52 -1.26 -4.37 119.66 123.25 2cqv s GLN 35 Ca 0.01 1.19 -0.11 0.00 -1.95 0.00 0.00 55.36 54.51 2cqv s GLN 35 Cb -0.16 -2.01 0.06 0.00 -0.22 0.00 0.00 33.01 30.68 2cqv s GLN 35 CO -0.07 -0.92 1.09 -1.25 -0.25 0.00 0.00 175.29 173.89 2cqv s PRO 36 N -4.22 2.22 -0.04 2.91 0.04 -1.26 -5.10 135.00 129.56 2cqv s PRO 36 Ca 0.63 1.16 -0.00 0.00 0.04 0.00 0.00 61.00 62.84 2cqv s PRO 36 Cb -0.16 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.51 2cqv s PRO 36 CO 0.40 -1.67 -0.01 0.42 0.04 0.00 0.00 177.00 176.19 2cqv s ILE 37 N -2.90 0.29 0.31 0.56 1.01 -1.26 -4.64 121.20 114.56 2cqv s ILE 37 Ca 0.61 0.07 -0.26 0.00 0.00 0.00 0.00 60.65 61.07 2cqv s ILE 37 Cb -0.17 -0.39 -0.10 0.00 0.01 0.00 0.00 42.46 41.81 2cqv s ILE 37 CO 0.56 0.19 0.92 -0.89 0.00 0.00 0.00 174.94 175.73 2cqv s THR 38 N 1.30 4.24 -0.12 2.92 2.01 0.13 -4.95 115.64 121.17 2cqv s THR 38 Ca -0.06 1.78 -0.05 0.00 0.31 0.00 0.00 61.69 63.68 2cqv s THR 38 Cb -0.13 -4.00 0.06 0.00 0.01 0.00 0.00 72.50 68.43 2cqv s THR 38 CO -0.02 0.16 0.25 0.00 -0.69 0.00 0.00 174.62 174.31 2cqv s THR 40 N 1.94 1.51 -0.31 0.00 2.01 0.90 -4.98 115.64 116.71 2cqv s THR 40 Ca -0.03 -0.93 -0.07 0.00 0.31 0.00 0.00 61.69 60.97 2cqv s THR 40 Cb -0.11 -1.28 0.01 0.00 0.01 0.00 0.00 72.50 71.13 2cqv s THR 40 CO -0.08 0.32 0.10 0.26 -0.69 0.00 0.00 174.62 174.53 2cqv s TRP 41 N -0.58 3.17 0.39 4.92 0.52 -1.26 -0.55 118.94 125.54 2cqv s TRP 41 Ca 0.07 -1.01 0.04 0.00 0.02 0.00 0.00 56.10 55.22 2cqv s TRP 41 Cb -0.08 -2.28 -0.05 0.00 -1.15 0.00 0.00 33.47 29.91 2cqv s TRP 41 CO 0.00 -0.59 0.05 -1.64 0.02 0.00 0.00 176.95 174.79 2cqv s MET 42 N 1.50 1.85 -0.17 4.98 -1.94 -0.31 -0.31 119.30 124.89 2cqv s MET 42 Ca 0.02 -2.08 -0.11 0.00 -1.71 0.00 0.00 55.69 51.81 2cqv s MET 42 Cb -0.18 -1.10 0.06 0.00 2.01 0.00 0.00 34.83 35.62 2cqv s MET 42 CO 0.03 -0.23 0.43 0.21 -0.01 0.00 0.00 175.02 175.45 2cqv s LYS 43 N -3.82 0.44 -1.50 2.03 2.20 0.84 0.28 119.74 120.22 2cqv s LYS 43 Ca 0.30 0.77 -0.05 0.00 -0.36 0.00 0.00 55.97 56.62 2cqv s LYS 43 Cb 0.07 0.05 0.04 0.00 -1.51 0.00 0.00 37.83 36.48 2cqv s LYS 43 CO 0.14 -0.13 0.47 1.19 -0.36 0.00 0.00 175.35 176.66 2cqv n PHE 44 N 3.91 -1.63 -3.46 4.03 3.72 -0.96 -0.48 117.46 122.59 2cqv n PHE 44 Ca -0.21 0.75 -0.20 0.00 -0.05 0.00 0.00 57.45 57.74 2cqv n PHE 44 Cb 0.56 -3.44 0.08 0.00 -0.94 0.00 0.00 39.48 35.74 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 -4.42 -7.04 -3.32 -1.08 5.12 -1.26 -5.00 116.66 99.66 2cqv n ARG 45 Ca -0.21 0.78 -0.06 0.00 -1.93 0.00 0.00 57.85 56.43 2cqv n ARG 45 Cb 0.64 -5.66 -0.07 0.00 -1.16 0.00 0.00 32.46 26.21 2cqv n ARG 45 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2cqv s LYS 46 N -5.90 0.39 0.16 5.56 2.20 0.37 -5.13 119.74 117.39 2cqv s LYS 46 Ca 0.36 0.66 -0.34 0.00 -0.36 0.00 0.00 55.97 56.29 2cqv s LYS 46 Cb -0.16 -0.22 -0.14 0.00 -1.51 0.00 0.00 37.83 35.80 2cqv s LYS 46 CO 0.68 -0.62 1.55 0.94 -0.36 0.00 0.00 175.35 177.55 2cqv n GLN 47 N 5.38 2.07 -2.37 4.03 7.27 -1.26 -0.11 117.38 132.39 2cqv n GLN 47 Ca -0.03 0.75 -0.38 0.00 0.07 0.00 0.00 57.00 57.41 2cqv n GLN 47 Cb 0.50 -2.50 -0.03 0.00 2.41 0.00 0.00 30.24 30.62 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 0.84 3.33 -0.23 1.69 1.01 0.58 -4.85 121.20 123.56 2cqv s ILE 48 Ca 0.79 1.09 -0.07 0.00 0.00 0.00 0.00 60.65 62.46 2cqv s ILE 48 Cb -0.70 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.14 2cqv s ILE 48 CO 0.39 0.08 0.06 0.00 0.00 0.00 0.00 174.94 175.47 2cqv s GLN 49 N -2.33 3.70 0.04 2.79 -2.07 -1.26 -4.91 119.66 115.63 2cqv s GLN 49 Ca 0.57 -0.46 -0.32 0.00 -1.82 0.00 0.00 55.36 53.33 2cqv s GLN 49 Cb -0.28 -3.28 -0.11 0.00 -1.09 0.00 0.00 33.01 28.25 2cqv s GLN 49 CO 0.35 -0.09 1.85 0.39 -1.32 0.00 0.00 175.29 176.47 2cqv n GLU 50 N 4.63 2.55 -2.88 9.60 1.02 -1.26 -4.72 120.64 129.58 2cqv n GLU 50 Ca -0.16 0.93 -0.08 0.00 -0.02 0.00 0.00 57.16 57.83 2cqv n GLU 50 Cb 0.52 -2.81 -0.01 0.00 -0.02 0.00 0.00 31.44 29.12 2cqv n GLU 50 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2cqv n SER 51 N 6.10 -0.99 0.00 1.62 3.41 0.58 -4.98 113.62 119.37 2cqv n SER 51 Ca 0.20 -2.07 0.09 0.00 -0.26 0.00 0.00 58.87 56.84 2cqv n SER 51 Cb 0.35 1.76 0.56 0.00 -0.26 0.00 0.00 64.21 66.61 2cqv n SER 51 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2cqv n GLU 52 N -0.33 0.69 -0.03 4.33 0.28 -1.26 -2.50 120.64 121.80 2cqv n GLU 52 Ca -0.01 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.96 2cqv n GLU 52 Cb 0.35 -1.43 -0.06 0.00 1.43 0.00 0.00 31.44 31.73 2cqv n GLU 52 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2cqv n HIS 53 N -0.93 0.00 -3.65 -1.84 8.25 -1.26 -4.62 115.22 111.18 2cqv n HIS 53 Ca 0.14 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.34 2cqv n HIS 53 Cb 0.06 -0.36 -0.17 0.00 1.12 0.00 0.00 29.99 30.65 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 -2.24 0.20 0.16 -0.41 -1.94 -1.04 0.12 119.30 114.16 2cqv s MET 54 Ca -0.04 -0.11 0.06 0.00 -1.71 0.00 0.00 55.69 53.89 2cqv s MET 54 Cb 0.03 -1.76 -0.04 0.00 2.01 0.00 0.00 34.83 35.07 2cqv s MET 54 CO 0.32 -0.62 0.09 0.15 -0.01 0.00 0.00 175.02 174.95 2cqv s LYS 55 N 2.07 2.75 -0.01 2.03 1.02 0.17 -0.30 119.74 127.47 2cqv s LYS 55 Ca 0.02 -0.94 0.01 0.00 0.02 0.00 0.00 55.97 55.08 2cqv s LYS 55 Cb -0.16 -2.56 0.01 0.00 -0.52 0.00 0.00 37.83 34.60 2cqv s LYS 55 CO -0.08 0.48 -0.02 0.08 -0.92 0.00 0.00 175.35 174.89 2cqv s VAL 56 N -1.73 0.23 -0.49 3.17 1.01 -1.26 0.60 120.40 121.92 2cqv s VAL 56 Ca 0.30 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.26 2cqv s VAL 56 Cb -0.10 -0.24 0.13 0.00 0.00 0.00 0.00 36.38 36.17 2cqv s VAL 56 CO 0.22 0.10 0.26 -0.70 0.00 0.00 0.00 175.10 174.98 2cqv s GLU 57 N 0.37 1.73 -0.09 2.72 2.56 -0.50 -4.98 118.70 120.51 2cqv s GLU 57 Ca -0.04 -2.41 -0.30 0.00 0.00 0.00 0.00 54.97 52.23 2cqv s GLU 57 Cb -0.06 -2.95 -0.03 0.00 2.00 0.00 0.00 34.13 33.09 2cqv s GLU 57 CO -0.01 -1.13 1.30 -0.80 -0.56 0.00 0.00 175.26 174.06 2cqv s ASN 58 N -0.08 6.94 0.33 -1.70 -0.87 -1.26 -2.92 114.94 115.38 2cqv s ASN 58 Ca 0.17 1.86 0.02 0.00 -1.57 0.00 0.00 52.86 53.35 2cqv s ASN 58 Cb -0.25 -2.55 -0.02 0.00 -0.02 0.00 0.00 41.25 38.42 2cqv s ASN 58 CO -0.00 -0.71 0.36 -0.44 -2.57 0.00 0.00 177.10 173.74 2cqv s SER 59 N 1.92 1.23 0.03 -1.22 0.01 -0.07 -5.03 113.70 110.57 2cqv s SER 59 Ca 0.58 -1.61 -0.21 0.00 1.31 0.00 0.00 55.95 56.03 2cqv s SER 59 Cb -0.25 0.60 -0.11 0.00 0.21 0.00 0.00 66.02 66.46 2cqv s SER 59 CO 0.21 -1.16 1.21 -0.08 0.41 0.00 0.00 173.24 173.83 2cqv h GLU 60 N 2.15 -0.72 -1.50 12.44 4.81 -1.94 -2.85 114.58 126.98 2cqv h GLU 60 Ca -0.27 0.05 0.49 0.00 -0.13 0.00 0.00 59.36 59.50 2cqv h GLU 60 Cb 1.24 0.16 -0.13 0.00 0.63 0.00 0.00 28.75 30.65 2cqv h GLU 60 CO 0.38 -0.48 0.99 -0.91 -0.73 0.00 0.00 179.01 178.27 2cqv h ASN 61 N -0.81 0.16 0.00 1.04 2.35 -1.99 -3.43 115.58 112.91 2cqv h ASN 61 Ca -0.08 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2cqv h ASN 61 Cb 0.57 0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.07 2cqv h ASN 61 CO 0.13 -0.20 0.00 0.61 -1.65 0.00 0.00 177.43 176.32 2cqv n GLY 62 N -1.61 -0.52 3.15 2.83 0.00 -1.07 -0.36 105.19 107.61 2cqv n GLY 62 Ca 0.41 -0.85 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 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 2.06 0.06 1.61 0.15 -1.24 -0.89 113.70 111.45 2cqv s SER 63 Ca 0.00 -0.32 0.08 0.00 0.70 0.00 0.00 55.95 56.41 2cqv s SER 63 Cb 0.00 -0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 63.92 2cqv s SER 63 CO 0.00 0.19 -0.21 -0.75 1.20 0.00 0.00 173.24 173.67 2cqv s LYS 64 N -0.24 1.89 -0.30 5.44 2.20 -1.15 -1.81 119.74 125.78 2cqv s LYS 64 Ca 0.03 -1.08 -0.01 0.00 -0.36 0.00 0.00 55.97 54.54 2cqv s LYS 64 Cb -0.08 -2.09 0.10 0.00 -1.51 0.00 0.00 37.83 34.24 2cqv s LYS 64 CO 0.00 0.51 0.09 -1.17 -0.36 0.00 0.00 175.35 174.43 2cqv s LEU 65 N -1.55 2.10 0.09 5.43 2.96 0.56 -1.41 118.68 126.86 2cqv s LEU 65 Ca 0.14 -1.54 -0.22 0.00 -0.22 0.00 0.00 54.13 52.29 2cqv s LEU 65 Cb -0.10 -0.83 -0.07 0.00 0.50 0.00 0.00 46.19 45.69 2cqv s LEU 65 CO 0.05 -0.40 0.65 -0.89 -1.32 0.00 0.00 176.35 174.44 2cqv s THR 66 N 1.65 4.65 -0.37 3.68 2.01 0.20 -2.23 115.64 125.23 2cqv s THR 66 Ca 0.08 1.40 0.04 0.00 0.31 0.00 0.00 61.69 63.52 2cqv s THR 66 Cb -0.17 -3.99 0.10 0.00 0.01 0.00 0.00 72.50 68.45 2cqv s THR 66 CO -0.24 0.52 0.09 -0.63 -0.69 0.00 0.00 174.62 173.67 2cqv s ILE 67 N -0.93 2.38 0.25 1.82 1.01 -0.74 0.45 121.20 125.43 2cqv s ILE 67 Ca 0.32 -2.46 -0.20 0.00 0.00 0.00 0.00 60.65 58.31 2cqv s ILE 67 Cb -0.21 -2.74 -0.08 0.00 0.01 0.00 0.00 42.46 39.44 2cqv s ILE 67 CO 0.21 -0.63 0.75 -0.76 0.00 0.00 0.00 174.94 174.51 2cqv s LEU 68 N 0.75 4.30 -1.35 2.97 1.43 0.32 -2.94 118.68 124.17 2cqv s LEU 68 Ca 0.12 1.44 -0.00 0.00 -1.03 0.00 0.00 54.13 54.66 2cqv s LEU 68 Cb -0.20 -3.69 -0.00 0.00 0.03 0.00 0.00 46.19 42.32 2cqv s LEU 68 CO -0.07 -0.01 0.57 0.00 0.23 0.00 0.00 176.35 177.07 2cqv n ALA 69 N 0.57 -2.02 -1.40 4.21 0.00 -1.15 -4.51 120.51 116.20 2cqv n ALA 69 Ca -0.01 -0.22 -0.55 0.00 0.00 0.00 0.00 53.44 52.67 2cqv n ALA 69 Cb 0.51 -1.74 -0.08 0.00 0.00 0.00 0.00 19.45 18.14 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 -4.33 -1.51 -2.61 0.00 0.00 -0.97 -4.25 120.51 106.85 2cqv n ALA 70 Ca -0.31 0.43 -0.21 0.00 0.00 0.00 0.00 53.44 53.36 2cqv n ALA 70 Cb 0.68 -1.56 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 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 1.99 2.98 0.47 0.00 0.52 -1.26 0.10 118.95 123.75 2cqv s ARG 71 Ca 0.84 -1.10 0.12 0.00 -0.52 0.00 0.00 55.73 55.08 2cqv s ARG 71 Cb -1.20 -2.65 1.07 0.00 0.52 0.00 0.00 34.95 32.69 2cqv s ARG 71 CO 0.64 0.18 2.10 0.37 0.02 0.00 0.00 175.30 178.60 2cqv h GLN 72 N 1.17 0.23 -0.00 3.54 5.75 -1.92 -1.58 115.11 122.29 2cqv h GLN 72 Ca -0.47 -0.02 -0.18 0.00 -0.15 0.00 0.00 58.65 57.84 2cqv h GLN 72 Cb 1.25 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.73 2cqv h GLN 72 CO 0.57 0.17 -0.82 1.05 -2.65 0.00 0.00 178.83 177.15 2cqv h GLU 73 N 0.23 0.11 -0.43 1.69 4.11 -1.98 -3.05 114.58 115.26 2cqv h GLU 73 Ca 0.06 -0.12 0.13 0.00 0.07 0.00 0.00 59.36 59.50 2cqv h GLU 73 Cb 0.01 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2cqv h GLU 73 CO -0.01 0.87 0.51 0.45 0.07 0.00 0.00 179.01 180.90 2cqv h HIS 74 N 0.07 0.00 -2.31 2.06 3.86 -1.67 -3.40 115.15 113.75 2cqv h HIS 74 Ca -0.03 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.63 2cqv h HIS 74 Cb 1.43 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.93 2cqv h HIS 74 CO 0.02 0.00 1.16 0.00 0.86 0.00 0.00 177.93 179.97 2cqv n GLY 76 N 4.41 0.22 3.70 0.00 0.00 -0.70 -4.97 105.19 107.85 2cqv n GLY 76 Ca 0.20 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 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 1.46 -0.25 0.00 1.51 0.03 -2.26 117.35 118.78 2cqv s TYR 78 Ca 0.26 -0.59 -0.05 0.00 -1.01 0.00 0.00 57.07 55.67 2cqv s TYR 78 Cb -0.15 -2.44 0.13 0.00 -0.11 0.00 0.00 41.96 39.38 2cqv s TYR 78 CO 0.11 -1.32 0.49 0.99 -1.11 0.00 0.00 175.55 174.71 2cqv s THR 79 N -2.81 -0.78 -0.40 -0.71 2.01 0.14 -2.99 115.64 110.11 2cqv s THR 79 Ca 0.63 0.04 -0.17 0.00 0.31 0.00 0.00 61.69 62.50 2cqv s THR 79 Cb -0.06 -0.84 0.01 0.00 0.01 0.00 0.00 72.50 71.63 2cqv s THR 79 CO 0.41 -0.00 0.44 -0.22 -0.69 0.00 0.00 174.62 174.55 2cqv s LEU 80 N 2.71 4.72 -0.08 4.42 2.96 -1.21 -1.16 118.68 131.04 2cqv s LEU 80 Ca 0.05 -0.52 -0.12 0.00 -0.22 0.00 0.00 54.13 53.33 2cqv s LEU 80 Cb -0.13 -2.41 -0.05 0.00 0.50 0.00 0.00 46.19 44.09 2cqv s LEU 80 CO -0.16 -0.54 0.28 -0.22 -1.32 0.00 0.00 176.35 174.39 2cqv s LEU 81 N 2.17 4.39 -0.23 -0.68 2.96 0.28 -1.65 118.68 125.93 2cqv s LEU 81 Ca 0.13 0.68 -0.04 0.00 -0.22 0.00 0.00 54.13 54.68 2cqv s LEU 81 Cb -0.17 -2.35 0.08 0.00 0.50 0.00 0.00 46.19 44.25 2cqv s LEU 81 CO 0.14 0.30 0.10 0.68 -1.32 0.00 0.00 176.35 176.24 2cqv s VAL 82 N -0.68 0.12 0.22 1.68 -7.23 0.26 -0.07 120.40 114.69 2cqv s VAL 82 Ca 0.19 -0.57 0.08 0.00 -1.81 0.00 0.00 61.98 59.86 2cqv s VAL 82 Cb -0.14 -0.91 -0.04 0.00 0.56 0.00 0.00 36.38 35.85 2cqv s VAL 82 CO 0.08 -0.47 0.05 -1.61 -0.31 0.00 0.00 175.10 172.83 2cqv s GLU 83 N 2.03 2.51 -0.07 4.82 2.02 -0.49 -0.64 118.70 128.88 2cqv s GLU 83 Ca 0.05 -1.18 -0.29 0.00 0.02 0.00 0.00 54.97 53.57 2cqv s GLU 83 Cb -0.16 -2.36 0.11 0.00 0.10 0.00 0.00 34.13 31.82 2cqv s GLU 83 CO -0.21 0.42 0.90 1.21 0.02 0.00 0.00 175.26 177.60 2cqv s ASN 84 N -3.37 -0.40 0.43 -0.19 2.47 0.28 0.17 114.94 114.33 2cqv s ASN 84 Ca 0.30 0.23 0.38 0.00 0.42 0.00 0.00 52.86 54.19 2cqv s ASN 84 Cb -0.08 0.37 1.35 0.00 -1.45 0.00 0.00 41.25 41.44 2cqv s ASN 84 CO 0.21 -0.52 1.25 1.17 -3.72 0.00 0.00 177.10 175.49 2cqv n LYS 85 N 0.26 -0.01 0.00 0.43 4.81 -1.26 -1.17 118.16 121.22 2cqv n LYS 85 Ca -0.11 0.89 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 2cqv n LYS 85 Cb 0.60 -1.99 0.00 0.00 0.02 0.00 0.00 35.03 33.65 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 -3.68 0.87 0.00 3.14 4.77 -1.26 -5.07 117.00 115.78 2cqv n LEU 86 Ca 0.35 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.78 2cqv n LEU 86 Cb 1.55 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 42.35 2cqv n LEU 86 CO 0.32 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 2cqv n GLY 87 N 1.25 4.84 3.51 -0.72 0.00 -0.32 -4.92 105.19 108.83 2cqv n GLY 87 Ca 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 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 1.40 -0.49 0.10 1.61 1.04 -1.26 -0.55 113.70 115.54 2cqv s SER 88 Ca 0.00 -0.11 -0.18 0.00 0.48 0.00 0.00 55.95 56.15 2cqv s SER 88 Cb 0.00 0.60 0.04 0.00 0.10 0.00 0.00 66.02 66.76 2cqv s SER 88 CO 0.00 -1.00 0.43 -0.60 0.98 0.00 0.00 173.24 173.05 2cqv s ARG 89 N -3.72 1.04 -0.14 4.02 6.06 0.18 -4.82 118.95 121.59 2cqv s ARG 89 Ca 0.03 -0.57 -0.06 0.00 -2.50 0.00 0.00 55.73 52.63 2cqv s ARG 89 Cb -0.02 0.46 0.06 0.00 0.06 0.00 0.00 34.95 35.51 2cqv s ARG 89 CO -0.09 -0.40 0.31 1.14 -2.50 0.00 0.00 175.30 173.76 2cqv s GLN 90 N -3.37 0.25 0.57 5.12 -2.07 -1.26 -0.57 119.66 118.33 2cqv s GLN 90 Ca 0.00 0.70 0.08 0.00 -1.82 0.00 0.00 55.36 54.32 2cqv s GLN 90 Cb 0.01 -0.03 0.08 0.00 -1.09 0.00 0.00 33.01 31.98 2cqv s GLN 90 CO -0.09 -0.20 0.63 0.00 -1.32 0.00 0.00 175.29 174.31 2cqv n ALA 91 N 4.65 1.07 -3.40 2.60 0.00 -0.66 -4.93 120.51 119.85 2cqv n ALA 91 Ca -0.18 -2.18 -0.14 0.00 0.00 0.00 0.00 53.44 50.94 2cqv n ALA 91 Cb 0.52 0.74 -0.09 0.00 0.00 0.00 0.00 19.45 20.62 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 -4.50 0.61 -0.14 0.00 -0.21 -1.26 -3.32 119.66 110.84 2cqv s GLN 92 Ca 0.48 0.64 -0.11 0.00 0.02 0.00 0.00 55.36 56.39 2cqv s GLN 92 Cb -0.04 0.29 0.04 0.00 1.00 0.00 0.00 33.01 34.31 2cqv s GLN 92 CO 0.30 -0.08 0.37 0.54 -2.12 0.00 0.00 175.29 174.30 2cqv s VAL 93 N 0.14 -0.01 0.06 1.09 0.11 -1.16 -4.92 120.40 115.71 2cqv s VAL 93 Ca -0.01 0.05 -0.15 0.00 -2.93 0.00 0.00 61.98 58.93 2cqv s VAL 93 Cb -0.03 -0.53 -0.06 0.00 -1.53 0.00 0.00 36.38 34.23 2cqv s VAL 93 CO 0.01 0.02 0.48 0.20 -3.33 0.00 0.00 175.10 172.48 2cqv s ASN 94 N 0.69 6.87 0.03 3.54 0.01 -1.26 -0.79 114.94 124.03 2cqv s ASN 94 Ca -0.04 1.05 0.03 0.00 -0.71 0.00 0.00 52.86 53.19 2cqv s ASN 94 Cb -0.05 -2.28 -0.02 0.00 0.41 0.00 0.00 41.25 39.31 2cqv s ASN 94 CO -0.05 0.25 -0.08 -0.22 -1.51 0.00 0.00 177.10 175.49 2cqv s LEU 95 N -1.37 2.18 -0.02 0.60 2.96 -0.76 -2.03 118.68 120.24 2cqv s LEU 95 Ca 0.29 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 2cqv s LEU 95 Cb -0.17 -0.28 0.01 0.00 0.50 0.00 0.00 46.19 46.26 2cqv s LEU 95 CO 0.17 -0.09 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.19 2cqv s THR 96 N -0.95 0.27 -0.18 3.68 2.01 -1.14 -1.72 115.64 117.61 2cqv s THR 96 Ca -0.05 -0.07 -0.08 0.00 0.31 0.00 0.00 61.69 61.81 2cqv s THR 96 Cb -0.07 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.11 2cqv s THR 96 CO 0.00 0.12 0.08 -0.69 -0.69 0.00 0.00 174.62 173.44 2cqv s VAL 97 N 0.39 4.98 -0.12 3.82 1.01 -1.26 -0.74 120.40 128.48 2cqv s VAL 97 Ca -0.04 0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.98 2cqv s VAL 97 Cb -0.07 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 33.09 2cqv s VAL 97 CO -0.01 0.48 -0.13 0.68 0.00 0.00 0.00 175.10 176.12 2cqv s VAL 98 N 0.19 1.36 -1.59 2.92 -7.23 0.06 -4.85 120.40 111.26 2cqv s VAL 98 Ca 0.06 -0.53 0.16 0.00 -1.81 0.00 0.00 61.98 59.85 2cqv s VAL 98 Cb -0.12 -1.28 0.53 0.00 0.56 0.00 0.00 36.38 36.07 2cqv s VAL 98 CO -0.00 0.42 1.43 -0.67 -0.31 0.00 0.00 175.10 175.96 2cqv n ASP 99 N 4.52 3.44 -4.93 4.85 2.03 -1.26 -0.07 116.55 125.14 2cqv n ASP 99 Ca -0.17 -2.19 -0.28 0.00 0.52 0.00 0.00 54.79 52.67 2cqv n ASP 99 Cb 0.51 -0.45 -0.03 0.00 -0.72 0.00 0.00 41.12 40.42 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 -1.53 3.48 0.00 -0.67 -2.85 -1.26 -4.94 119.74 111.97 2cqv s LYS 100 Ca 0.39 -0.44 0.00 0.00 -1.00 0.00 0.00 55.97 54.92 2cqv s LYS 100 Cb 0.23 -2.94 0.00 0.00 -2.06 0.00 0.00 37.83 33.06 2cqv s LYS 100 CO 0.22 0.50 0.00 -0.35 0.10 0.00 0.00 175.35 175.83 2cqv n PRO 101 N -0.32 -0.99 -1.70 1.78 -0.04 -1.26 -4.97 135.00 127.51 2cqv n PRO 101 Ca -0.05 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.03 2cqv n PRO 101 Cb 0.53 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.05 2cqv n PRO 101 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2cqv n ASP 102 N -2.95 1.79 -4.72 3.54 5.75 -1.26 -4.98 116.55 113.71 2cqv n ASP 102 Ca 0.00 0.85 -0.30 0.00 -0.01 0.00 0.00 54.79 55.33 2cqv n ASP 102 Cb 0.00 -1.51 0.13 0.00 -1.03 0.00 0.00 41.12 38.71 2cqv n ASP 102 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2cqv s PRO 103 N -3.11 1.38 0.55 0.11 0.04 -1.26 -5.01 135.00 127.70 2cqv s PRO 103 Ca 0.79 0.87 -0.19 0.00 0.04 0.00 0.00 61.00 62.50 2cqv s PRO 103 Cb -0.40 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 2cqv s PRO 103 CO 0.44 -2.17 1.13 -1.25 0.04 0.00 0.00 177.00 175.19 2cqv s PRO 104 N -4.93 3.35 0.03 0.56 0.04 -1.26 -5.05 135.00 127.73 2cqv s PRO 104 Ca 0.63 1.61 0.06 0.00 0.04 0.00 0.00 61.00 63.33 2cqv s PRO 104 Cb -0.18 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 2cqv s PRO 104 CO 0.57 -0.85 -0.13 0.00 0.04 0.00 0.00 177.00 176.63 2cqv s ALA 105 N -1.78 2.80 -0.15 8.56 0.00 -1.26 -5.01 121.76 124.92 2cqv s ALA 105 Ca 0.73 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 51.61 2cqv s ALA 105 Cb -0.24 -0.91 0.17 0.00 0.00 0.00 0.00 23.12 22.14 2cqv s ALA 105 CO 0.27 0.60 0.95 0.41 0.00 0.00 0.00 175.76 177.98 2cqv n GLY 106 N 1.47 0.23 3.85 0.00 0.00 -1.26 -5.15 105.19 104.33 2cqv n GLY 106 Ca -0.16 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 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 0.06 5.26 -0.05 2.61 -4.23 -1.26 -5.06 115.64 112.96 2cqv s THR 107 Ca 0.04 0.01 -0.30 0.00 -1.18 0.00 0.00 61.69 60.26 2cqv s THR 107 Cb 0.18 -3.33 -0.05 0.00 1.34 0.00 0.00 72.50 70.65 2cqv s THR 107 CO -0.05 0.53 1.48 -2.16 -0.54 0.00 0.00 174.62 173.88 2cqv s PRO 108 N -1.27 4.23 -1.56 3.99 0.04 -1.26 -2.79 135.00 136.38 2cqv s PRO 108 Ca 0.18 2.01 -0.03 0.00 0.04 0.00 0.00 61.00 63.20 2cqv s PRO 108 Cb -0.12 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.66 2cqv s PRO 108 CO 0.08 -0.71 0.46 0.45 0.04 0.00 0.00 177.00 177.32 2cqv n SER 109 N 6.26 -5.96 0.00 6.66 2.88 -1.26 -4.96 113.62 117.25 2cqv n SER 109 Ca 0.15 -0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2cqv n SER 109 Cb 0.43 -4.82 0.00 0.00 -0.75 0.00 0.00 64.21 59.08 2cqv n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqv n GLY 110 N -1.40 0.77 0.00 0.46 0.00 -1.12 -4.68 105.19 99.23 2cqv n GLY 110 Ca -0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.95 2cqv n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cqv n PRO 111 N 0.00 0.07 -3.66 1.61 -0.04 -1.26 -4.87 135.00 126.85 2cqv n PRO 111 Ca 0.00 0.22 -0.27 0.00 -0.04 0.00 0.00 63.50 63.41 2cqv n PRO 111 Cb 0.00 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.00 2cqv n PRO 111 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cqv n SER 112 N -1.43 -5.34 -4.37 3.54 7.64 -1.26 -4.97 113.62 107.44 2cqv n SER 112 Ca 0.05 -0.61 -0.33 0.00 1.01 0.00 0.00 58.87 58.98 2cqv n SER 112 Cb 0.15 -4.26 -0.14 0.00 -1.01 0.00 0.00 64.21 58.95 2cqv n SER 112 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cqv s SER 113 N -3.17 4.12 0.00 6.43 1.04 -1.26 -5.16 113.70 115.71 2cqv s SER 113 Ca 0.57 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.68 2cqv s SER 113 Cb -0.28 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.20 2cqv s SER 113 CO 0.71 0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.67