#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dqc s VAL 2 N 0.00 4.80 -0.02 2.53 1.01 -1.26 -4.10 120.40 123.35 2dqc s VAL 2 Ca 0.00 1.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.96 2dqc s VAL 2 Cb 0.00 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.59 2dqc s VAL 2 CO 0.00 0.35 0.06 -1.10 0.00 0.00 0.00 175.10 174.41 2dqc s GLN 3 N -1.67 0.06 0.08 2.72 -0.21 0.28 -5.00 119.66 115.93 2dqc s GLN 3 Ca 0.35 0.11 0.10 0.00 0.02 0.00 0.00 55.36 55.93 2dqc s GLN 3 Cb -0.17 -0.00 -0.03 0.00 1.00 0.00 0.00 33.01 33.81 2dqc s GLN 3 CO 0.19 -0.03 -0.25 -0.51 -2.12 0.00 0.00 175.29 172.57 2dqc s LEU 4 N 0.18 2.32 -0.16 2.90 1.02 -1.26 -1.30 118.68 122.38 2dqc s LEU 4 Ca -0.01 -0.63 -0.07 0.00 0.02 0.00 0.00 54.13 53.44 2dqc s LEU 4 Cb -0.02 -1.31 0.07 0.00 0.02 0.00 0.00 46.19 44.95 2dqc s LEU 4 CO -0.01 0.22 0.37 -1.58 0.02 0.00 0.00 176.35 175.37 2dqc s GLN 5 N -1.64 0.30 0.32 1.70 2.00 -0.69 -4.26 119.66 117.39 2dqc s GLN 5 Ca 0.13 0.84 -0.14 0.00 -2.00 0.00 0.00 55.36 54.19 2dqc s GLN 5 Cb -0.10 0.09 -0.09 0.00 0.80 0.00 0.00 33.01 33.71 2dqc s GLN 5 CO 0.05 -0.22 0.72 -1.21 -0.50 0.00 0.00 175.29 174.13 2dqc s GLU 6 N 2.00 3.96 0.05 1.67 8.01 -1.26 -0.63 118.70 132.50 2dqc s GLU 6 Ca -0.05 0.61 -0.16 0.00 0.01 0.00 0.00 54.97 55.38 2dqc s GLU 6 Cb -0.11 -2.44 0.03 0.00 -4.31 0.00 0.00 34.13 27.30 2dqc s GLU 6 CO -0.11 0.15 0.37 -1.54 0.01 0.00 0.00 175.26 174.13 2dqc s SER 7 N -2.37 -0.21 0.00 -0.19 1.04 0.33 -4.97 113.70 107.33 2dqc s SER 7 Ca 0.53 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.86 2dqc s SER 7 Cb -0.10 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2dqc s SER 7 CO 0.19 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.36 2dqc n GLY 8 N 0.48 1.36 3.76 7.32 0.00 -1.26 -0.73 105.19 116.12 2dqc n GLY 8 Ca -0.18 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.65 2dqc n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dqc s PRO 9 N -1.37 3.57 -0.00 1.61 0.04 -1.26 -4.94 135.00 132.64 2dqc s PRO 9 Ca 0.00 2.15 0.20 0.00 0.04 0.00 0.00 61.00 63.38 2dqc s PRO 9 Cb 0.00 -2.48 -0.22 0.00 0.04 0.00 0.00 34.50 31.84 2dqc s PRO 9 CO 0.00 -0.82 0.80 -1.13 0.04 0.00 0.00 177.00 175.89 2dqc n SER 10 N -0.49 0.88 -3.91 6.66 3.41 -1.26 -4.82 113.62 114.09 2dqc n SER 10 Ca 0.07 -0.89 -0.24 0.00 -0.26 0.00 0.00 58.87 57.56 2dqc n SER 10 Cb 0.45 1.07 -0.17 0.00 -0.26 0.00 0.00 64.21 65.30 2dqc n SER 10 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2dqc s LEU 11 N -3.05 1.26 0.13 1.04 2.96 -1.26 -0.78 118.68 118.99 2dqc s LEU 11 Ca 0.06 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 2dqc s LEU 11 Cb 0.15 -0.67 -0.04 0.00 0.50 0.00 0.00 46.19 46.13 2dqc s LEU 11 CO 0.81 -0.07 -0.06 0.68 -1.32 0.00 0.00 176.35 176.39 2dqc s VAL 12 N 1.25 0.84 0.03 1.68 -7.23 -0.55 -4.97 120.40 111.45 2dqc s VAL 12 Ca -0.05 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.10 2dqc s VAL 12 Cb -0.14 -1.86 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 2dqc s VAL 12 CO -0.02 -0.72 0.25 -0.54 -0.31 0.00 0.00 175.10 173.75 2dqc s LYS 13 N -3.83 3.52 0.46 4.82 -0.14 -1.26 -1.74 119.74 121.57 2dqc s LYS 13 Ca 0.17 -0.21 -0.23 0.00 -1.36 0.00 0.00 55.97 54.33 2dqc s LYS 13 Cb 0.05 -3.04 -0.09 0.00 -1.68 0.00 0.00 37.83 33.07 2dqc s LYS 13 CO -0.01 0.62 1.10 -2.30 -0.76 0.00 0.00 175.35 174.01 2dqc n PRO 14 N 0.77 1.46 -0.01 -1.68 -0.02 -1.26 -2.07 135.00 132.20 2dqc n PRO 14 Ca -0.09 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2dqc n PRO 14 Cb 0.52 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2dqc n PRO 14 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2dqc n SER 15 N 0.07 0.00 -4.61 2.55 7.64 1.00 -4.92 113.62 115.34 2dqc n SER 15 Ca 0.09 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.72 2dqc n SER 15 Cb 0.41 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.73 2dqc n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dqc s GLN 16 N -0.00 1.58 -0.24 1.43 -2.07 -0.88 -3.96 119.66 115.52 2dqc s GLN 16 Ca 0.00 -0.79 -0.12 0.00 -1.82 0.00 0.00 55.36 52.63 2dqc s GLN 16 Cb 0.00 -2.20 -0.05 0.00 -1.09 0.00 0.00 33.01 29.67 2dqc s GLN 16 CO 0.00 -1.58 0.25 0.99 -1.32 0.00 0.00 175.29 173.62 2dqc s THR 17 N -3.30 5.29 -0.10 3.63 2.01 -1.26 -1.81 115.64 120.10 2dqc s THR 17 Ca 0.66 0.35 -0.22 0.00 0.31 0.00 0.00 61.69 62.80 2dqc s THR 17 Cb -0.06 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2dqc s THR 17 CO 0.46 0.29 0.64 -0.22 -0.69 0.00 0.00 174.62 175.09 2dqc s LEU 18 N 1.35 4.29 -0.07 4.42 2.96 0.45 -4.88 118.68 127.20 2dqc s LEU 18 Ca 0.11 1.05 0.03 0.00 -0.22 0.00 0.00 54.13 55.10 2dqc s LEU 18 Cb -0.14 -2.96 0.01 0.00 0.50 0.00 0.00 46.19 43.59 2dqc s LEU 18 CO 0.07 -0.11 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.42 2dqc s SER 19 N 0.80 1.89 0.11 3.68 0.01 -1.26 -0.20 113.70 118.73 2dqc s SER 19 Ca 0.34 -0.32 0.07 0.00 1.31 0.00 0.00 55.95 57.35 2dqc s SER 19 Cb -0.17 -0.84 -0.04 0.00 0.21 0.00 0.00 66.02 65.18 2dqc s SER 19 CO 0.15 0.05 -0.17 -0.76 0.41 0.00 0.00 173.24 172.92 2dqc s LEU 20 N 0.58 2.35 -0.00 2.44 1.02 -0.03 -4.40 118.68 120.63 2dqc s LEU 20 Ca -0.14 -0.74 0.08 0.00 0.02 0.00 0.00 54.13 53.35 2dqc s LEU 20 Cb -0.15 -0.70 -0.02 0.00 0.02 0.00 0.00 46.19 45.34 2dqc s LEU 20 CO 0.04 -0.05 -0.24 -0.89 0.02 0.00 0.00 176.35 175.23 2dqc s THR 21 N -1.63 1.92 -0.21 5.49 2.01 0.09 -1.52 115.64 121.79 2dqc s THR 21 Ca 0.07 -1.09 0.02 0.00 0.31 0.00 0.00 61.69 60.99 2dqc s THR 21 Cb -0.08 -1.61 0.04 0.00 0.01 0.00 0.00 72.50 70.86 2dqc s THR 21 CO 0.04 0.49 -0.15 0.00 -0.69 0.00 0.00 174.62 174.31 2dqc s SER 23 N 1.25 6.51 -0.17 0.00 0.01 0.20 -2.07 113.70 119.44 2dqc s SER 23 Ca -0.01 0.61 -0.04 0.00 1.31 0.00 0.00 55.95 57.82 2dqc s SER 23 Cb -0.16 -2.23 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 2dqc s SER 23 CO -0.09 0.02 -0.02 -0.69 0.41 0.00 0.00 173.24 172.86 2dqc s VAL 24 N 0.76 4.01 -0.02 3.43 1.01 -0.81 -1.70 120.40 127.08 2dqc s VAL 24 Ca 0.20 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.91 2dqc s VAL 24 Cb -0.14 -2.77 -0.00 0.00 0.00 0.00 0.00 36.38 33.46 2dqc s VAL 24 CO 0.07 0.48 -0.12 0.42 0.00 0.00 0.00 175.10 175.95 2dqc s THR 25 N 0.46 0.98 0.00 3.92 -4.23 -0.42 -4.79 115.64 111.55 2dqc s THR 25 Ca -0.02 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 2dqc s THR 25 Cb -0.14 -0.84 0.00 0.00 1.34 0.00 0.00 72.50 72.86 2dqc s THR 25 CO 0.02 0.29 0.00 0.61 -0.54 0.00 0.00 174.62 175.00 2dqc n GLY 26 N 3.01 1.99 3.64 3.99 0.00 -1.26 -0.56 105.19 116.02 2dqc n GLY 26 Ca -0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 2dqc n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dqc s ASP 27 N -1.57 -0.22 0.34 1.61 -1.08 -1.26 -4.60 116.67 109.90 2dqc s ASP 27 Ca 0.00 -0.21 -0.26 0.00 -0.52 0.00 0.00 52.55 51.56 2dqc s ASP 27 Cb 0.00 0.39 -0.09 0.00 -1.46 0.00 0.00 42.92 41.76 2dqc s ASP 27 CO 0.00 -0.69 1.01 -0.55 0.52 0.00 0.00 175.17 175.46 2dqc s SER 28 N -2.74 7.11 0.44 -0.34 0.15 -1.26 -4.93 113.70 112.13 2dqc s SER 28 Ca 0.10 1.99 0.30 0.00 0.70 0.00 0.00 55.95 59.04 2dqc s SER 28 Cb -0.00 -2.59 1.33 0.00 -1.71 0.00 0.00 66.02 63.04 2dqc s SER 28 CO -0.03 -0.24 1.90 0.16 1.20 0.00 0.00 173.24 176.24 2dqc h ILE 29 N 2.55 0.00 0.00 6.45 3.07 -1.92 -2.04 117.51 125.62 2dqc h ILE 29 Ca -0.47 -0.31 0.00 0.00 1.55 0.00 0.00 64.86 65.63 2dqc h ILE 29 Cb 1.20 1.17 0.00 0.00 -0.27 0.00 0.00 36.82 38.93 2dqc h ILE 29 CO 0.64 0.00 0.00 0.35 -1.05 0.00 0.00 178.15 178.09 2dqc n THR 30 N -2.71 0.28 -1.17 0.16 -2.24 -1.26 -3.15 114.28 104.18 2dqc n THR 30 Ca 0.01 0.07 -0.05 0.00 -2.27 0.00 0.00 64.05 61.81 2dqc n THR 30 Cb 0.23 -0.73 0.25 0.00 -2.10 0.00 0.00 70.33 67.98 2dqc n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2dqc n SER 31 N -1.21 3.84 -3.57 3.42 7.64 -0.77 -4.97 113.62 117.99 2dqc n SER 31 Ca 0.11 -3.39 -0.01 0.00 1.01 0.00 0.00 58.87 56.59 2dqc n SER 31 Cb 0.14 -0.69 0.01 0.00 -1.01 0.00 0.00 64.21 62.66 2dqc n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dqc s ASP 32 N -1.69 -0.05 -0.06 6.43 -1.08 -1.19 -5.05 116.67 114.00 2dqc s ASP 32 Ca 0.50 -0.43 -0.03 0.00 -0.52 0.00 0.00 52.55 52.07 2dqc s ASP 32 Cb 0.42 0.37 -0.04 0.00 -1.46 0.00 0.00 42.92 42.21 2dqc s ASP 32 CO 0.08 -0.72 0.09 -0.36 0.52 0.00 0.00 175.17 174.78 2dqc s PHE 33 N -2.43 3.36 -0.04 -5.34 0.40 -1.26 -4.31 117.98 108.37 2dqc s PHE 33 Ca 0.20 0.30 0.06 0.00 -0.60 0.00 0.00 56.93 56.89 2dqc s PHE 33 Cb -0.01 -1.81 -0.01 0.00 0.51 0.00 0.00 43.02 41.70 2dqc s PHE 33 CO 0.02 0.59 -0.22 -1.58 0.70 0.00 0.00 175.22 174.72 2dqc s TRP 34 N -1.08 2.10 0.33 0.36 0.52 -0.32 -1.31 118.94 119.54 2dqc s TRP 34 Ca 0.19 -0.53 0.06 0.00 0.02 0.00 0.00 56.10 55.84 2dqc s TRP 34 Cb -0.12 -1.37 -0.07 0.00 -1.15 0.00 0.00 33.47 30.76 2dqc s TRP 34 CO 0.09 -0.13 -0.02 -1.12 0.02 0.00 0.00 176.95 175.79 2dqc s SER 35 N -0.27 3.04 -0.05 2.95 0.01 0.11 -0.68 113.70 118.81 2dqc s SER 35 Ca 0.02 -1.28 0.02 0.00 1.31 0.00 0.00 55.95 56.01 2dqc s SER 35 Cb -0.11 -0.22 0.01 0.00 0.21 0.00 0.00 66.02 65.91 2dqc s SER 35 CO 0.01 -0.42 -0.09 0.26 0.41 0.00 0.00 173.24 173.41 2dqc s TRP 36 N -2.97 1.12 0.04 2.43 0.52 -0.47 -2.21 118.94 117.41 2dqc s TRP 36 Ca 0.33 -0.36 0.03 0.00 0.02 0.00 0.00 56.10 56.12 2dqc s TRP 36 Cb 0.06 -0.85 -0.02 0.00 -1.15 0.00 0.00 33.47 31.51 2dqc s TRP 36 CO 0.15 -0.21 -0.10 0.42 0.02 0.00 0.00 176.95 177.24 2dqc s ILE 37 N 0.63 0.72 0.07 2.03 1.09 -0.15 -1.28 121.20 124.31 2dqc s ILE 37 Ca -0.11 -0.94 0.03 0.00 -1.10 0.00 0.00 60.65 58.53 2dqc s ILE 37 Cb -0.14 -0.71 -0.03 0.00 -1.06 0.00 0.00 42.46 40.52 2dqc s ILE 37 CO 0.02 -0.18 -0.09 0.00 -0.10 0.00 0.00 174.94 174.58 2dqc s ARG 38 N -1.24 0.71 -0.17 2.79 1.70 -0.54 -0.22 118.95 121.98 2dqc s ARG 38 Ca -0.04 -0.98 0.01 0.00 -0.47 0.00 0.00 55.73 54.25 2dqc s ARG 38 Cb -0.08 -0.44 0.01 0.00 -0.57 0.00 0.00 34.95 33.87 2dqc s ARG 38 CO 0.01 0.07 -0.19 0.21 -1.08 0.00 0.00 175.30 174.32 2dqc s LYS 39 N -2.24 3.04 0.66 3.89 2.20 0.60 -0.84 119.74 127.05 2dqc s LYS 39 Ca -0.01 -0.82 -0.10 0.00 -0.36 0.00 0.00 55.97 54.68 2dqc s LYS 39 Cb -0.06 -2.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.70 2dqc s LYS 39 CO -0.00 -0.15 1.04 -0.06 -0.36 0.00 0.00 175.35 175.82 2dqc s PHE 40 N 1.15 3.36 0.48 4.03 0.08 0.62 -1.10 117.98 126.60 2dqc s PHE 40 Ca 0.01 0.99 0.34 0.00 0.12 0.00 0.00 56.93 58.40 2dqc s PHE 40 Cb -0.14 -2.93 1.47 0.00 -0.57 0.00 0.00 43.02 40.85 2dqc s PHE 40 CO -0.09 -1.01 1.67 -1.35 -0.10 0.00 0.00 175.22 174.34 2dqc h PRO 41 N -0.49 0.09 -1.48 0.24 0.11 -1.88 -2.86 132.00 125.74 2dqc h PRO 41 Ca -0.45 -0.01 -0.72 0.00 0.11 0.00 0.00 66.00 64.93 2dqc h PRO 41 Cb 1.24 -0.02 -0.28 0.00 0.11 0.00 0.00 31.00 32.05 2dqc h PRO 41 CO 0.63 0.06 0.94 0.41 -0.21 0.00 0.00 178.00 179.83 2dqc n GLY 42 N -1.65 5.71 3.35 -0.55 0.00 -1.26 -4.86 105.19 105.93 2dqc n GLY 42 Ca 0.35 -2.40 -0.24 0.00 0.00 0.00 0.00 46.02 43.73 2dqc n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dqc n ASN 43 N -0.73 -5.22 -4.36 1.61 5.03 -1.08 -4.96 115.26 105.55 2dqc n ASN 43 Ca 0.58 -0.44 -0.36 0.00 0.87 0.00 0.00 54.58 55.23 2dqc n ASN 43 Cb 0.46 -4.21 -0.13 0.00 -1.02 0.00 0.00 39.78 34.87 2dqc n ASN 43 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 2dqc s ARG 44 N -6.03 3.30 -0.07 3.52 3.52 -1.24 -4.97 118.95 116.98 2dqc s ARG 44 Ca 0.43 -0.70 -0.07 0.00 -0.13 0.00 0.00 55.73 55.26 2dqc s ARG 44 Cb -0.21 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 29.89 2dqc s ARG 44 CO 0.53 -0.31 0.20 -0.51 -0.81 0.00 0.00 175.30 174.40 2dqc s LEU 45 N 1.52 4.39 -0.05 -0.88 1.43 -1.26 -0.28 118.68 123.55 2dqc s LEU 45 Ca 0.04 0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 2dqc s LEU 45 Cb -0.16 -2.32 0.02 0.00 0.03 0.00 0.00 46.19 43.76 2dqc s LEU 45 CO 0.01 0.35 -0.05 -0.70 0.23 0.00 0.00 176.35 176.19 2dqc s GLU 46 N -1.31 0.96 -0.40 1.70 2.12 -0.02 -5.00 118.70 116.74 2dqc s GLU 46 Ca 0.20 -0.13 -0.25 0.00 0.36 0.00 0.00 54.97 55.15 2dqc s GLU 46 Cb -0.13 -0.97 0.02 0.00 0.26 0.00 0.00 34.13 33.31 2dqc s GLU 46 CO 0.10 -0.10 0.88 -0.47 -0.54 0.00 0.00 175.26 175.13 2dqc s TYR 47 N 1.04 3.03 0.00 5.30 6.14 -1.26 -1.47 117.35 130.13 2dqc s TYR 47 Ca -0.09 0.55 -0.20 0.00 0.64 0.00 0.00 57.07 57.97 2dqc s TYR 47 Cb -0.14 -3.70 -0.24 0.00 0.42 0.00 0.00 41.96 38.29 2dqc s TYR 47 CO -0.00 -0.91 1.08 0.52 0.64 0.00 0.00 175.55 176.88 2dqc h MET 48 N 8.72 0.40 0.00 4.97 2.86 -1.55 -3.40 114.93 126.93 2dqc h MET 48 Ca -0.24 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 56.95 2dqc h MET 48 Cb 1.08 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.87 2dqc h MET 48 CO 0.98 1.12 0.00 0.41 1.06 0.00 0.00 176.91 180.48 2dqc n GLY 49 N 1.12 -0.15 3.27 8.32 0.00 -1.15 -0.85 105.19 115.75 2dqc n GLY 49 Ca -0.11 -1.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 2dqc n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2dqc s TYR 50 N -2.00 -0.07 -0.10 1.61 1.13 -0.62 -1.36 117.35 115.93 2dqc s TYR 50 Ca 0.00 -0.25 0.03 0.00 -1.41 0.00 0.00 57.07 55.44 2dqc s TYR 50 Cb 0.00 0.13 -0.00 0.00 -1.10 0.00 0.00 41.96 40.99 2dqc s TYR 50 CO 0.00 -0.62 -0.23 0.54 -2.51 0.00 0.00 175.55 172.73 2dqc s VAL 51 N -3.62 2.18 0.56 -3.49 0.11 0.15 -1.63 120.40 114.65 2dqc s VAL 51 Ca 0.02 -0.98 0.08 0.00 -2.93 0.00 0.00 61.98 58.18 2dqc s VAL 51 Cb 0.02 -1.84 0.07 0.00 -1.53 0.00 0.00 36.38 33.11 2dqc s VAL 51 CO -0.10 0.56 0.77 -0.94 -3.33 0.00 0.00 175.10 172.05 2dqc s SER 52 N 0.35 5.15 0.52 3.54 1.04 -0.51 -1.17 113.70 122.62 2dqc s SER 52 Ca -0.18 -0.67 0.25 0.00 0.48 0.00 0.00 55.95 55.84 2dqc s SER 52 Cb -0.18 0.00 1.38 0.00 0.10 0.00 0.00 66.02 67.33 2dqc s SER 52 CO 0.08 -1.27 1.98 0.10 0.98 0.00 0.00 173.24 175.12 2dqc h TYR 53 N 0.20 0.03 0.00 5.02 -0.00 -1.89 -0.40 116.97 119.93 2dqc h TYR 53 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.40 2dqc h TYR 53 Cb 1.28 -0.01 0.00 0.00 -0.00 0.00 0.00 36.73 38.00 2dqc h TYR 53 CO 0.35 0.01 0.00 -1.13 -0.00 0.00 0.00 178.16 177.39 2dqc n SER 54 N -4.37 0.29 0.00 0.10 3.41 -1.26 -4.88 113.62 106.91 2dqc n SER 54 Ca 0.11 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 2dqc n SER 54 Cb 0.64 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 2dqc n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dqc n GLY 55 N 1.37 0.19 3.77 5.00 0.00 -0.16 -5.06 105.19 110.29 2dqc n GLY 55 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 2dqc n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dqc s SER 56 N -2.10 6.17 0.22 1.61 1.04 -1.26 -4.75 113.70 114.63 2dqc s SER 56 Ca 0.00 2.57 0.11 0.00 0.48 0.00 0.00 55.95 59.11 2dqc s SER 56 Cb 0.00 -2.63 -0.05 0.00 0.10 0.00 0.00 66.02 63.45 2dqc s SER 56 CO 0.00 -0.94 -0.22 0.42 0.98 0.00 0.00 173.24 173.48 2dqc s THR 57 N -1.34 2.32 -0.09 2.02 -4.23 -1.26 -1.42 115.64 111.64 2dqc s THR 57 Ca 0.60 -2.16 -0.01 0.00 -1.18 0.00 0.00 61.69 58.94 2dqc s THR 57 Cb -0.36 -2.15 0.03 0.00 1.34 0.00 0.00 72.50 71.36 2dqc s THR 57 CO 0.45 -0.25 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.94 2dqc s TYR 58 N -2.05 0.99 0.01 3.99 2.02 -0.64 -5.01 117.35 116.66 2dqc s TYR 58 Ca 0.23 -0.40 0.06 0.00 -0.37 0.00 0.00 57.07 56.60 2dqc s TYR 58 Cb -0.06 -0.97 -0.03 0.00 -0.40 0.00 0.00 41.96 40.50 2dqc s TYR 58 CO 0.11 -0.41 -0.19 0.71 -1.57 0.00 0.00 175.55 174.21 2dqc s TYR 59 N 1.87 2.55 0.02 2.71 2.02 -1.26 -1.59 117.35 123.67 2dqc s TYR 59 Ca 0.05 -0.27 -0.30 0.00 -0.37 0.00 0.00 57.07 56.18 2dqc s TYR 59 Cb -0.12 -1.51 -0.06 0.00 -0.40 0.00 0.00 41.96 39.86 2dqc s TYR 59 CO -0.06 0.18 1.44 1.21 -1.57 0.00 0.00 175.55 176.75 2dqc s ASN 60 N -1.11 6.81 0.64 2.29 3.84 -0.03 -4.87 114.94 122.50 2dqc s ASN 60 Ca 0.13 2.19 0.32 0.00 0.21 0.00 0.00 52.86 55.71 2dqc s ASN 60 Cb -0.10 -2.56 1.75 0.00 -0.55 0.00 0.00 41.25 39.79 2dqc s ASN 60 CO 0.03 -0.75 2.04 -0.65 -2.79 0.00 0.00 177.10 174.98 2dqc h PRO 61 N 7.86 0.00 0.00 0.43 0.11 -1.94 -0.93 132.00 137.53 2dqc h PRO 61 Ca -0.39 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 2dqc h PRO 61 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2dqc h PRO 61 CO 0.91 0.00 -0.00 0.66 -0.21 0.00 0.00 178.00 179.35 2dqc h SER 62 N 0.00 0.00 -0.04 -2.05 4.64 -1.97 -1.23 113.55 112.91 2dqc h SER 62 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2dqc h SER 62 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2dqc h SER 62 CO -0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 2dqc n LEU 63 N -3.78 0.45 -4.25 5.97 4.77 -0.35 -4.91 117.00 114.89 2dqc n LEU 63 Ca -0.03 -0.18 -0.37 0.00 -0.03 0.00 0.00 56.01 55.40 2dqc n LEU 63 Cb 0.09 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2dqc n LEU 63 CO 0.27 0.09 -0.05 0.29 -1.33 0.00 0.00 177.39 176.66 2dqc n LYS 64 N -0.53 -2.75 -3.29 3.23 4.76 -0.46 -1.50 118.16 117.61 2dqc n LYS 64 Ca 0.17 0.33 -0.23 0.00 -2.87 0.00 0.00 58.31 55.70 2dqc n LYS 64 Cb 0.15 -5.04 0.05 0.00 -1.84 0.00 0.00 35.03 28.35 2dqc n LYS 64 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2dqc n SER 65 N -2.60 -6.20 -0.72 4.39 2.88 -1.26 -4.87 113.62 105.24 2dqc n SER 65 Ca 0.09 -0.41 0.10 0.00 -1.33 0.00 0.00 58.87 57.32 2dqc n SER 65 Cb 0.48 -4.95 0.06 0.00 -0.75 0.00 0.00 64.21 59.05 2dqc n SER 65 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2dqc n ARG 66 N -4.46 1.76 -4.08 -1.46 1.74 -0.56 -4.99 116.66 104.61 2dqc n ARG 66 Ca -0.06 -1.50 -0.33 0.00 -0.77 0.00 0.00 57.85 55.20 2dqc n ARG 66 Cb 0.59 -1.40 -0.07 0.00 -1.02 0.00 0.00 32.46 30.57 2dqc n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2dqc s ILE 67 N -1.88 4.81 -0.02 0.55 2.07 -1.26 -0.61 121.20 124.85 2dqc s ILE 67 Ca 0.22 -0.39 0.00 0.00 -1.41 0.00 0.00 60.65 59.07 2dqc s ILE 67 Cb 0.17 -3.21 0.03 0.00 0.13 0.00 0.00 42.46 39.58 2dqc s ILE 67 CO 0.33 0.34 0.03 -0.55 -1.91 0.00 0.00 174.94 173.18 2dqc s SER 68 N -1.78 0.16 -0.16 4.50 0.15 -0.42 -5.00 113.70 111.16 2dqc s SER 68 Ca 0.24 0.03 0.02 0.00 0.70 0.00 0.00 55.95 56.93 2dqc s SER 68 Cb -0.12 -0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.11 2dqc s SER 68 CO 0.15 -0.13 -0.20 -0.63 1.20 0.00 0.00 173.24 173.62 2dqc s ILE 69 N 1.10 2.03 0.29 6.45 1.01 -1.26 -1.04 121.20 129.77 2dqc s ILE 69 Ca -0.09 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.66 2dqc s ILE 69 Cb -0.13 -1.81 -0.06 0.00 0.01 0.00 0.00 42.46 40.47 2dqc s ILE 69 CO -0.03 0.54 0.05 0.42 0.00 0.00 0.00 174.94 175.92 2dqc s THR 70 N 1.09 1.01 0.11 2.92 -4.23 -1.05 -4.95 115.64 110.53 2dqc s THR 70 Ca -0.00 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.54 2dqc s THR 70 Cb -0.14 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 2dqc s THR 70 CO -0.08 -0.08 -0.11 -0.13 -0.54 0.00 0.00 174.62 173.68 2dqc s ARG 71 N -3.92 0.92 -0.30 3.99 0.52 -1.26 0.03 118.95 118.93 2dqc s ARG 71 Ca 0.35 -1.21 -0.03 0.00 -0.52 0.00 0.00 55.73 54.32 2dqc s ARG 71 Cb 0.08 -0.65 0.10 0.00 0.52 0.00 0.00 34.95 35.00 2dqc s ARG 71 CO 0.14 0.11 0.13 0.34 0.02 0.00 0.00 175.30 176.04 2dqc s ASP 72 N -2.52 3.55 0.23 0.23 -1.08 -0.28 -4.99 116.67 111.81 2dqc s ASP 72 Ca 0.08 -1.40 -0.08 0.00 -0.52 0.00 0.00 52.55 50.62 2dqc s ASP 72 Cb -0.03 -0.41 0.20 0.00 -1.46 0.00 0.00 42.92 41.22 2dqc s ASP 72 CO 0.01 -0.43 1.89 0.74 0.52 0.00 0.00 175.17 177.90 2dqc h THR 73 N 6.31 1.23 -0.50 1.71 2.02 -1.97 -0.83 112.91 120.87 2dqc h THR 73 Ca -0.17 -0.44 0.07 0.00 0.77 0.00 0.00 66.41 66.64 2dqc h THR 73 Cb 1.01 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 2dqc h THR 73 CO 0.43 0.22 0.34 0.77 0.37 0.00 0.00 175.52 177.65 2dqc h SER 74 N 1.17 0.34 -0.02 4.18 4.64 -1.95 -1.82 113.55 120.09 2dqc h SER 74 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2dqc h SER 74 Cb -0.11 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 2dqc h SER 74 CO -0.06 0.22 -0.19 0.29 -0.87 0.00 0.00 176.83 176.21 2dqc n LYS 75 N -4.47 1.62 -3.72 4.77 5.02 -1.06 -4.99 118.16 115.34 2dqc n LYS 75 Ca 0.07 -1.29 -0.22 0.00 -2.02 0.00 0.00 58.31 54.85 2dqc n LYS 75 Cb 0.29 -1.37 0.03 0.00 -0.02 0.00 0.00 35.03 33.97 2dqc n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2dqc n ASN 76 N 0.52 -1.70 -4.14 4.39 4.05 -0.35 -4.83 115.26 113.21 2dqc n ASN 76 Ca 0.10 -0.80 -0.09 0.00 0.45 0.00 0.00 54.58 54.23 2dqc n ASN 76 Cb 0.44 -4.09 -0.10 0.00 1.23 0.00 0.00 39.78 37.26 2dqc n ASN 76 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2dqc s GLN 77 N -6.04 0.75 0.12 1.20 -0.21 -1.01 -1.93 119.66 112.54 2dqc s GLN 77 Ca 0.09 -1.30 0.03 0.00 0.02 0.00 0.00 55.36 54.20 2dqc s GLN 77 Cb -0.04 -0.02 -0.04 0.00 1.00 0.00 0.00 33.01 33.90 2dqc s GLN 77 CO 0.81 -0.07 -0.08 1.52 -2.12 0.00 0.00 175.29 175.36 2dqc s TYR 78 N -3.76 1.05 0.23 0.91 1.13 -0.88 -1.12 117.35 114.91 2dqc s TYR 78 Ca 0.11 -0.86 0.04 0.00 -1.41 0.00 0.00 57.07 54.95 2dqc s TYR 78 Cb 0.07 -0.57 -0.05 0.00 -1.10 0.00 0.00 41.96 40.30 2dqc s TYR 78 CO -0.06 -0.06 -0.03 0.71 -2.51 0.00 0.00 175.55 173.60 2dqc s TYR 79 N -3.51 1.60 -0.08 -3.49 2.02 0.10 -1.33 117.35 112.66 2dqc s TYR 79 Ca 0.14 -0.86 0.01 0.00 -0.37 0.00 0.00 57.07 55.99 2dqc s TYR 79 Cb 0.04 -0.91 0.02 0.00 -0.40 0.00 0.00 41.96 40.71 2dqc s TYR 79 CO -0.02 0.04 -0.08 -1.17 -1.57 0.00 0.00 175.55 172.74 2dqc s LEU 80 N -3.32 1.34 -0.09 -1.29 2.96 -0.58 -2.54 118.68 115.17 2dqc s LEU 80 Ca 0.27 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.95 2dqc s LEU 80 Cb 0.05 -0.76 0.00 0.00 0.50 0.00 0.00 46.19 45.98 2dqc s LEU 80 CO 0.08 -0.06 -0.21 -1.81 -1.32 0.00 0.00 176.35 173.04 2dqc s ASP 81 N 1.23 2.75 -0.21 3.68 1.01 -0.21 -0.85 116.67 124.07 2dqc s ASP 81 Ca -0.04 -0.49 -0.01 0.00 0.71 0.00 0.00 52.55 52.72 2dqc s ASP 81 Cb -0.14 -1.26 0.06 0.00 1.01 0.00 0.00 42.92 42.59 2dqc s ASP 81 CO -0.02 0.13 -0.03 -0.22 0.21 0.00 0.00 175.17 175.24 2dqc s LEU 82 N 0.42 1.94 0.55 1.23 2.96 0.72 -1.30 118.68 125.20 2dqc s LEU 82 Ca -0.18 -0.95 -0.13 0.00 -0.22 0.00 0.00 54.13 52.65 2dqc s LEU 82 Cb -0.17 -0.95 -0.06 0.00 0.50 0.00 0.00 46.19 45.51 2dqc s LEU 82 CO 0.08 -0.24 0.97 0.20 -1.32 0.00 0.00 176.35 176.03 2dqc s ASN 83 N 1.59 6.43 -1.28 3.68 0.01 0.21 -0.41 114.94 125.18 2dqc s ASN 83 Ca -0.03 1.43 -0.25 0.00 -0.71 0.00 0.00 52.86 53.30 2dqc s ASN 83 Cb -0.17 -2.46 0.03 0.00 0.41 0.00 0.00 41.25 39.05 2dqc s ASN 83 CO -0.07 -0.68 0.56 -1.20 -1.51 0.00 0.00 177.10 174.20 2dqc n SER 84 N -2.07 -3.17 -4.74 -1.22 7.64 -1.05 -4.91 113.62 104.11 2dqc n SER 84 Ca 0.06 -1.25 -0.32 0.00 1.01 0.00 0.00 58.87 58.37 2dqc n SER 84 Cb 0.54 -1.94 0.10 0.00 -1.01 0.00 0.00 64.21 61.90 2dqc n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2dqc s VAL 85 N -3.70 2.93 0.31 0.44 -7.23 -0.75 -4.57 120.40 107.83 2dqc s VAL 85 Ca 0.38 0.34 0.04 0.00 -1.81 0.00 0.00 61.98 60.92 2dqc s VAL 85 Cb -0.20 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 2dqc s VAL 85 CO 0.96 -0.36 0.17 0.42 -0.31 0.00 0.00 175.10 175.98 2dqc s THR 86 N -2.66 0.32 0.60 5.32 -4.23 -1.26 -0.00 115.64 113.73 2dqc s THR 86 Ca 0.65 -2.00 0.42 0.00 -1.18 0.00 0.00 61.69 59.58 2dqc s THR 86 Cb -0.20 -2.50 0.42 0.00 1.34 0.00 0.00 72.50 71.56 2dqc s THR 86 CO 0.53 0.00 2.29 0.71 -0.54 0.00 0.00 174.62 177.61 2dqc h THR 87 N 2.17 0.00 0.00 3.99 1.35 -1.98 0.11 112.91 118.56 2dqc h THR 87 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2dqc h THR 87 Cb 1.25 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 2dqc h THR 87 CO 0.51 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.16 2dqc n GLU 88 N -3.00 0.11 -0.06 4.72 -0.58 -1.26 -2.32 120.64 118.24 2dqc n GLU 88 Ca -0.03 0.16 0.12 0.00 -0.42 0.00 0.00 57.16 57.00 2dqc n GLU 88 Cb 0.09 -1.50 0.20 0.00 -0.57 0.00 0.00 31.44 29.66 2dqc n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2dqc n ASP 89 N -1.41 2.88 -4.69 1.62 8.00 0.39 -4.90 116.55 118.44 2dqc n ASP 89 Ca 0.06 -1.92 -0.42 0.00 0.71 0.00 0.00 54.79 53.22 2dqc n ASP 89 Cb 0.18 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 2dqc n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2dqc s THR 90 N -1.84 3.39 -0.02 -3.53 2.01 -0.98 -4.84 115.64 109.84 2dqc s THR 90 Ca 0.33 0.85 -0.30 0.00 0.31 0.00 0.00 61.69 62.88 2dqc s THR 90 Cb 0.21 -3.54 0.11 0.00 0.01 0.00 0.00 72.50 69.29 2dqc s THR 90 CO 0.31 0.01 1.30 0.00 -0.69 0.00 0.00 174.62 175.54 2dqc s ALA 91 N 2.28 -2.34 -0.24 7.40 0.00 -0.78 -4.55 121.76 123.51 2dqc s ALA 91 Ca 0.68 0.45 -0.15 0.00 0.00 0.00 0.00 51.96 52.93 2dqc s ALA 91 Cb -0.35 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 2dqc s ALA 91 CO 0.29 -1.09 0.37 0.99 0.00 0.00 0.00 175.76 176.32 2dqc s THR 92 N -2.23 5.19 -0.16 0.00 2.01 -0.26 -1.22 115.64 118.99 2dqc s THR 92 Ca 0.20 0.60 -0.08 0.00 0.31 0.00 0.00 61.69 62.72 2dqc s THR 92 Cb 0.03 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 2dqc s THR 92 CO -0.03 0.20 0.12 -0.31 -0.69 0.00 0.00 174.62 173.92 2dqc s TYR 93 N 1.73 3.47 0.02 4.92 1.51 -0.07 -0.29 117.35 128.63 2dqc s TYR 93 Ca 0.16 0.39 0.05 0.00 -1.01 0.00 0.00 57.07 56.66 2dqc s TYR 93 Cb -0.15 -2.04 -0.02 0.00 -0.11 0.00 0.00 41.96 39.64 2dqc s TYR 93 CO 0.09 0.49 -0.14 0.71 -1.11 0.00 0.00 175.55 175.59 2dqc s TYR 94 N -0.33 1.20 0.11 2.71 1.51 0.70 -0.57 117.35 122.68 2dqc s TYR 94 Ca 0.11 -0.30 0.05 0.00 -1.01 0.00 0.00 57.07 55.92 2dqc s TYR 94 Cb -0.12 -0.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.96 2dqc s TYR 94 CO 0.01 0.01 0.02 0.00 -1.11 0.00 0.00 175.55 174.49 2dqc s ALA 96 N -1.44 -1.71 0.64 0.00 0.00 -0.94 -0.64 121.76 117.67 2dqc s ALA 96 Ca 0.27 0.84 -0.11 0.00 0.00 0.00 0.00 51.96 52.96 2dqc s ALA 96 Cb -0.11 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 2dqc s ALA 96 CO 0.19 -0.65 1.04 0.54 0.00 0.00 0.00 175.76 176.88 2dqc s ASN 97 N -2.31 5.93 0.33 0.00 6.03 -0.46 -0.72 114.94 123.74 2dqc s ASN 97 Ca -0.00 1.52 0.07 0.00 -1.03 0.00 0.00 52.86 53.42 2dqc s ASN 97 Cb -0.01 -2.48 0.76 0.00 -3.03 0.00 0.00 41.25 36.49 2dqc s ASN 97 CO -0.07 -1.07 1.84 -0.25 -2.03 0.00 0.00 177.10 175.52 2dqc h TRP 98 N -0.35 0.93 0.00 1.54 7.01 -1.53 -0.40 115.95 123.14 2dqc h TRP 98 Ca -0.44 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.57 2dqc h TRP 98 Cb 1.20 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 27.97 2dqc h TRP 98 CO 0.64 0.32 -0.06 -0.44 -2.79 0.00 0.00 178.44 176.11 2dqc h ASP 99 N 0.76 0.00 0.00 2.65 3.32 -1.92 -3.46 116.42 117.77 2dqc h ASP 99 Ca 0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.54 2dqc h ASP 99 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2dqc h ASP 99 CO -0.25 0.06 0.00 0.61 -1.72 0.00 0.00 179.24 177.94 2dqc n GLY 100 N -0.34 0.65 0.07 2.75 0.00 -0.16 -4.92 105.19 103.23 2dqc n GLY 100 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 2dqc n GLY 100 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dqc h ASP 101 N 0.00 0.00 -3.22 1.61 3.32 -1.90 -3.45 116.42 112.79 2dqc h ASP 101 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 2dqc h ASP 101 Cb 0.00 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 39.21 2dqc h ASP 101 CO 0.00 0.96 -0.86 -0.31 -1.72 0.00 0.00 179.24 177.31 2dqc s TYR 102 N -2.72 2.47 0.08 4.55 2.02 -1.26 -5.04 117.35 117.45 2dqc s TYR 102 Ca 0.01 -1.22 0.07 0.00 -0.37 0.00 0.00 57.07 55.55 2dqc s TYR 102 Cb 0.10 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.92 2dqc s TYR 102 CO 0.81 -0.57 -0.17 -1.58 -1.57 0.00 0.00 175.55 172.47 2dqc s TRP 103 N 0.86 1.48 0.89 2.71 0.52 -1.26 -1.36 118.94 122.77 2dqc s TRP 103 Ca -0.07 -0.44 -0.13 0.00 0.02 0.00 0.00 56.10 55.48 2dqc s TRP 103 Cb -0.15 -0.82 0.15 0.00 -1.15 0.00 0.00 33.47 31.50 2dqc s TRP 103 CO -0.02 0.12 1.24 0.20 0.02 0.00 0.00 176.95 178.52 2dqc s GLY 104 N -1.80 1.72 0.50 0.98 0.00 0.18 -4.52 107.32 104.38 2dqc s GLY 104 Ca 0.02 -1.05 0.30 0.00 0.00 0.00 0.00 44.72 43.99 2dqc s GLY 104 CO 0.03 -0.40 1.86 0.06 0.00 0.00 0.00 173.10 174.66 2dqc h GLN 105 N -1.34 0.00 0.00 2.90 3.07 -1.90 -3.45 115.11 114.40 2dqc h GLN 105 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.30 2dqc h GLN 105 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.83 2dqc h GLN 105 CO 0.48 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.81 2dqc n GLY 106 N 0.36 0.27 2.75 0.06 0.00 -1.26 -5.05 105.19 102.32 2dqc n GLY 106 Ca 0.02 -1.48 -0.19 0.00 0.00 0.00 0.00 46.02 44.38 2dqc n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dqc s THR 107 N -1.86 0.07 -0.01 2.61 -1.32 0.27 -4.93 115.64 110.48 2dqc s THR 107 Ca 0.00 0.23 -0.30 0.00 -1.21 0.00 0.00 61.69 60.41 2dqc s THR 107 Cb 0.00 -0.24 -0.04 0.00 -1.51 0.00 0.00 72.50 70.71 2dqc s THR 107 CO 0.00 0.17 1.13 -0.22 -2.21 0.00 0.00 174.62 173.49 2dqc s LEU 108 N 1.56 4.33 -0.14 9.08 2.96 -1.26 -0.90 118.68 134.31 2dqc s LEU 108 Ca -0.02 1.82 0.02 0.00 -0.22 0.00 0.00 54.13 55.72 2dqc s LEU 108 Cb -0.13 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.01 2dqc s LEU 108 CO -0.03 -0.46 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.67 2dqc s VAL 109 N 1.53 1.84 -0.15 1.68 1.01 -0.36 -4.58 120.40 121.38 2dqc s VAL 109 Ca 0.55 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 2dqc s VAL 109 Cb -0.25 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 2dqc s VAL 109 CO 0.25 0.51 -0.06 -0.89 0.00 0.00 0.00 175.10 174.91 2dqc s THR 110 N 1.11 3.67 -0.31 3.92 2.01 0.04 -1.87 115.64 124.20 2dqc s THR 110 Ca -0.01 -0.44 -0.10 0.00 0.31 0.00 0.00 61.69 61.44 2dqc s THR 110 Cb -0.14 -2.59 -0.01 0.00 0.01 0.00 0.00 72.50 69.77 2dqc s THR 110 CO -0.06 0.50 0.17 -0.69 -0.69 0.00 0.00 174.62 173.85 2dqc s VAL 111 N 0.33 4.78 0.01 3.82 1.01 -1.26 -1.48 120.40 127.60 2dqc s VAL 111 Ca -0.06 -0.32 -0.21 0.00 0.00 0.00 0.00 61.98 61.39 2dqc s VAL 111 Cb -0.15 -3.42 0.04 0.00 0.00 0.00 0.00 36.38 32.86 2dqc s VAL 111 CO 0.04 0.08 0.48 -0.94 0.00 0.00 0.00 175.10 174.76 2dqc s SER 112 N 1.65 -0.39 0.42 3.32 1.04 -0.71 -4.46 113.70 114.56 2dqc s SER 112 Ca 0.05 0.25 0.28 0.00 0.48 0.00 0.00 55.95 57.01 2dqc s SER 112 Cb -0.17 0.44 1.53 0.00 0.10 0.00 0.00 66.02 67.92 2dqc s SER 112 CO 0.07 -0.61 1.87 0.00 0.98 0.00 0.00 173.24 175.56 2dqc h ALA 113 N 3.18 1.00 -0.03 5.32 0.00 -1.97 -3.39 119.26 123.37 2dqc h ALA 113 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2dqc h ALA 113 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2dqc h ALA 113 CO 0.41 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.66