#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dqq s ILE 2 N 0.00 2.79 -0.16 5.18 1.01 -1.26 -4.99 121.20 123.76 1dqq s ILE 2 Ca 0.00 0.55 -0.05 0.00 0.00 0.00 0.00 60.65 61.15 1dqq s ILE 2 Cb 0.00 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 1dqq s ILE 2 CO 0.00 0.04 0.02 -0.69 0.00 0.00 0.00 174.94 174.31 1dqq s VAL 3 N 1.21 4.41 -0.28 2.92 1.01 -1.26 -4.80 120.40 123.61 1dqq s VAL 3 Ca 0.69 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.44 1dqq s VAL 3 Cb -0.42 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.02 1dqq s VAL 3 CO 0.31 0.49 0.04 -0.76 0.00 0.00 0.00 175.10 175.19 1dqq s LEU 4 N 0.19 3.66 -0.23 3.92 1.43 -1.26 -0.84 118.68 125.55 1dqq s LEU 4 Ca 0.02 -0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 52.27 1dqq s LEU 4 Cb -0.13 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 1dqq s LEU 4 CO 0.01 -0.17 0.23 -0.89 0.23 0.00 0.00 176.35 175.76 1dqq s THR 5 N 1.46 5.31 -0.09 5.49 2.01 0.49 -3.74 115.64 126.58 1dqq s THR 5 Ca 0.02 0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.35 1dqq s THR 5 Cb -0.17 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1dqq s THR 5 CO 0.01 0.32 -0.07 -1.10 -0.69 0.00 0.00 174.62 173.08 1dqq s GLN 6 N 1.14 2.96 -0.05 4.92 -0.21 -1.26 0.15 119.66 127.31 1dqq s GLN 6 Ca 0.11 -0.56 -0.10 0.00 0.02 0.00 0.00 55.36 54.82 1dqq s GLN 6 Cb -0.14 -2.64 0.02 0.00 1.00 0.00 0.00 33.01 31.25 1dqq s GLN 6 CO 0.05 0.55 0.25 -1.54 -2.12 0.00 0.00 175.29 172.48 1dqq s SER 7 N -0.49 -0.17 0.85 5.90 1.04 -0.50 -4.37 113.70 115.96 1dqq s SER 7 Ca 0.07 0.21 -0.12 0.00 0.48 0.00 0.00 55.95 56.59 1dqq s SER 7 Cb -0.12 0.39 0.13 0.00 0.10 0.00 0.00 66.02 66.52 1dqq s SER 7 CO 0.02 -0.27 1.21 -2.16 0.98 0.00 0.00 173.24 173.02 1dqq s PRO 8 N -0.69 1.42 0.45 4.02 0.04 -1.26 -1.75 135.00 137.22 1dqq s PRO 8 Ca -0.08 -0.24 0.17 0.00 0.04 0.00 0.00 61.00 60.90 1dqq s PRO 8 Cb -0.04 -1.96 1.07 0.00 0.04 0.00 0.00 34.50 33.61 1dqq s PRO 8 CO 0.02 -1.89 1.99 0.00 0.04 0.00 0.00 177.00 177.16 1dqq h ALA 9 N -1.21 1.56 -2.49 8.56 0.00 -1.87 -3.42 119.26 120.39 1dqq h ALA 9 Ca -0.45 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.20 1dqq h ALA 9 Cb 1.28 -0.03 -0.25 0.00 0.00 0.00 0.00 17.79 18.79 1dqq h ALA 9 CO 0.52 0.24 -0.21 -0.08 0.00 0.00 0.00 179.25 179.72 1dqq s THR 10 N -4.48 -0.02 -0.21 0.00 -1.32 -1.26 -0.39 115.64 107.96 1dqq s THR 10 Ca -0.04 0.06 -0.04 0.00 -1.21 0.00 0.00 61.69 60.47 1dqq s THR 10 Cb 0.15 -0.70 -0.01 0.00 -1.51 0.00 0.00 72.50 70.42 1dqq s THR 10 CO 0.68 0.02 -0.04 -0.76 -2.21 0.00 0.00 174.62 172.31 1dqq s LEU 11 N 1.30 2.96 -0.34 9.08 1.02 0.11 -4.92 118.68 127.89 1dqq s LEU 11 Ca -0.08 -0.34 -0.14 0.00 0.02 0.00 0.00 54.13 53.58 1dqq s LEU 11 Cb -0.07 -1.75 -0.01 0.00 0.02 0.00 0.00 46.19 44.38 1dqq s LEU 11 CO -0.12 0.01 0.33 -0.44 0.02 0.00 0.00 176.35 176.14 1dqq s SER 12 N 1.28 6.14 0.30 2.29 0.01 -1.26 -1.00 113.70 121.46 1dqq s SER 12 Ca 0.03 -0.28 0.03 0.00 1.31 0.00 0.00 55.95 57.05 1dqq s SER 12 Cb -0.14 -2.18 -0.06 0.00 0.21 0.00 0.00 66.02 63.85 1dqq s SER 12 CO -0.01 -0.30 0.07 0.68 0.41 0.00 0.00 173.24 174.09 1dqq s VAL 13 N 1.93 0.95 -0.06 3.43 -7.23 -0.32 -4.65 120.40 114.45 1dqq s VAL 13 Ca 0.10 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.30 1dqq s VAL 13 Cb -0.17 -2.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.02 1dqq s VAL 13 CO 0.11 0.00 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.87 1dqq s THR 14 N -3.47 3.05 0.13 5.32 2.01 -1.26 -1.21 115.64 120.21 1dqq s THR 14 Ca 0.37 -0.72 -0.34 0.00 0.31 0.00 0.00 61.69 61.31 1dqq s THR 14 Cb 0.08 -2.21 -0.14 0.00 0.01 0.00 0.00 72.50 70.24 1dqq s THR 14 CO 0.15 0.58 1.56 -0.81 -0.69 0.00 0.00 174.62 175.41 1dqq n PRO 15 N 2.55 1.97 0.00 4.92 -0.04 -1.26 -1.65 135.00 141.49 1dqq n PRO 15 Ca -0.17 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 1dqq n PRO 15 Cb 0.52 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 1dqq n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dqq n GLY 16 N 3.34 1.71 3.84 0.55 0.00 0.10 -4.95 105.19 109.77 1dqq n GLY 16 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1dqq n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dqq s ASP 17 N -1.27 5.63 -0.09 1.61 1.01 -0.66 -4.15 116.67 118.76 1dqq s ASP 17 Ca 0.00 1.53 -0.01 0.00 0.71 0.00 0.00 52.55 54.78 1dqq s ASP 17 Cb 0.00 -2.45 -0.03 0.00 1.01 0.00 0.00 42.92 41.45 1dqq s ASP 17 CO 0.00 -1.27 -0.05 -0.44 0.21 0.00 0.00 175.17 173.62 1dqq s SER 18 N -3.94 4.79 0.15 0.27 0.01 -1.26 0.84 113.70 114.56 1dqq s SER 18 Ca 0.57 -0.01 0.04 0.00 1.31 0.00 0.00 55.95 57.86 1dqq s SER 18 Cb -0.13 -1.37 -0.04 0.00 0.21 0.00 0.00 66.02 64.68 1dqq s SER 18 CO 0.55 0.32 -0.09 -0.69 0.41 0.00 0.00 173.24 173.73 1dqq s VAL 19 N -0.55 1.15 -0.09 3.43 1.01 0.46 -4.91 120.40 120.89 1dqq s VAL 19 Ca 0.09 -2.06 -0.00 0.00 0.00 0.00 0.00 61.98 60.01 1dqq s VAL 19 Cb -0.12 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.41 1dqq s VAL 19 CO 0.02 -0.73 -0.06 -0.44 0.00 0.00 0.00 175.10 173.89 1dqq s SER 20 N -3.17 1.90 -0.11 3.32 0.01 -1.26 -0.94 113.70 113.44 1dqq s SER 20 Ca 0.17 -0.24 -0.05 0.00 1.31 0.00 0.00 55.95 57.14 1dqq s SER 20 Cb 0.03 -0.72 -0.04 0.00 0.21 0.00 0.00 66.02 65.50 1dqq s SER 20 CO 0.01 -0.11 0.09 -0.76 0.41 0.00 0.00 173.24 172.88 1dqq s LEU 21 N 1.55 4.06 -0.05 2.44 1.43 0.72 -4.87 118.68 123.96 1dqq s LEU 21 Ca 0.01 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 1dqq s LEU 21 Cb -0.13 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 1dqq s LEU 21 CO -0.05 0.38 -0.03 -0.55 0.23 0.00 0.00 176.35 176.33 1dqq s SER 22 N -0.84 4.96 -0.06 2.29 0.15 -0.72 -0.97 113.70 118.50 1dqq s SER 22 Ca 0.13 0.02 -0.03 0.00 0.70 0.00 0.00 55.95 56.78 1dqq s SER 22 Cb -0.12 -1.30 0.04 0.00 -1.71 0.00 0.00 66.02 62.93 1dqq s SER 22 CO 0.03 0.34 0.09 0.00 1.20 0.00 0.00 173.24 174.90 1dqq s ARG 24 N 2.20 2.70 0.28 0.00 0.52 0.12 -1.35 118.95 123.42 1dqq s ARG 24 Ca 0.04 -0.74 -0.13 0.00 -0.52 0.00 0.00 55.73 54.39 1dqq s ARG 24 Cb -0.12 -2.23 -0.08 0.00 0.52 0.00 0.00 34.95 33.03 1dqq s ARG 24 CO -0.04 -0.05 0.65 0.00 0.02 0.00 0.00 175.30 175.88 1dqq s ALA 25 N 0.93 3.44 -1.39 2.13 0.00 -0.10 -0.38 121.76 126.38 1dqq s ALA 25 Ca -0.06 -0.10 0.26 0.00 0.00 0.00 0.00 51.96 52.06 1dqq s ALA 25 Cb -0.15 -2.61 1.31 0.00 0.00 0.00 0.00 23.12 21.66 1dqq s ALA 25 CO -0.03 0.41 1.89 -1.13 0.00 0.00 0.00 175.76 176.91 1dqq n SER 26 N -0.24 0.00 -3.83 0.00 3.41 -0.02 -4.80 113.62 108.14 1dqq n SER 26 Ca 0.02 -0.04 -0.09 0.00 -0.26 0.00 0.00 58.87 58.50 1dqq n SER 26 Cb 0.53 -0.30 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 1dqq n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1dqq s GLN 27 N -2.61 1.03 0.17 4.33 -0.21 -1.26 -4.94 119.66 116.17 1dqq s GLN 27 Ca 0.24 -0.96 -0.30 0.00 0.02 0.00 0.00 55.36 54.35 1dqq s GLN 27 Cb 0.18 0.40 -0.08 0.00 1.00 0.00 0.00 33.01 34.50 1dqq s GLN 27 CO 0.41 -0.37 1.33 -1.12 -2.12 0.00 0.00 175.29 173.41 1dqq s SER 28 N -2.88 6.88 -0.05 5.90 0.01 -1.26 -4.60 113.70 117.70 1dqq s SER 28 Ca 0.08 2.36 0.07 0.00 1.31 0.00 0.00 55.95 59.78 1dqq s SER 28 Cb 0.03 -2.60 0.11 0.00 0.21 0.00 0.00 66.02 63.77 1dqq s SER 28 CO -0.07 -0.56 1.01 2.30 0.41 0.00 0.00 173.24 176.33 1dqq n ILE 29 N 3.06 0.76 0.00 1.44 -5.35 0.06 -5.00 119.36 114.33 1dqq n ILE 29 Ca 0.08 -0.90 0.00 0.00 -0.27 0.00 0.00 62.75 61.66 1dqq n ILE 29 Cb 0.43 0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 1dqq n ILE 29 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1dqq n SER 30 N -0.56 0.00 -0.63 7.28 7.64 -1.26 -1.32 113.62 124.77 1dqq n SER 30 Ca 0.06 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.01 1dqq n SER 30 Cb 0.63 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 64.02 1dqq n SER 30 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1dqq n ASN 31 N 6.18 3.24 -3.51 6.43 2.04 -1.26 -1.37 115.26 127.01 1dqq n ASN 31 Ca 0.00 -2.65 -0.40 0.00 -0.44 0.00 0.00 54.58 51.08 1dqq n ASN 31 Cb 0.00 -0.39 -0.01 0.00 -2.53 0.00 0.00 39.78 36.84 1dqq n ASN 31 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1dqq n ASN 32 N -0.35 7.27 -3.82 0.53 5.03 -0.44 -3.20 115.26 120.28 1dqq n ASN 32 Ca 0.16 -2.87 -0.15 0.00 0.87 0.00 0.00 54.58 52.59 1dqq n ASN 32 Cb 0.67 -1.50 -0.15 0.00 -1.02 0.00 0.00 39.78 37.78 1dqq n ASN 32 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1dqq s LEU 33 N -0.28 1.40 0.14 3.41 1.98 -1.26 -1.83 118.68 122.24 1dqq s LEU 33 Ca 0.57 0.00 0.07 0.00 -2.89 0.00 0.00 54.13 51.89 1dqq s LEU 33 Cb 0.16 -0.11 -0.04 0.00 0.66 0.00 0.00 46.19 46.87 1dqq s LEU 33 CO -0.07 -0.07 -0.17 -1.00 -1.89 0.00 0.00 176.35 173.15 1dqq s HIS 34 N 0.70 1.65 -0.09 5.38 3.76 0.49 -0.40 115.29 126.78 1dqq s HIS 34 Ca -0.06 -0.49 0.01 0.00 -0.15 0.00 0.00 55.06 54.37 1dqq s HIS 34 Cb -0.09 -0.85 -0.02 0.00 1.11 0.00 0.00 32.58 32.73 1dqq s HIS 34 CO -0.02 0.24 -0.12 -1.58 -0.85 0.00 0.00 174.74 172.41 1dqq s TRP 35 N -1.91 2.79 0.06 1.40 0.52 0.31 -0.92 118.94 121.19 1dqq s TRP 35 Ca 0.11 -0.30 0.06 0.00 0.02 0.00 0.00 56.10 56.00 1dqq s TRP 35 Cb -0.06 -1.73 -0.03 0.00 -1.15 0.00 0.00 33.47 30.50 1dqq s TRP 35 CO 0.05 0.06 -0.17 0.71 0.02 0.00 0.00 176.95 177.62 1dqq s TYR 36 N -0.32 1.51 -0.08 -1.98 2.02 0.15 -0.57 117.35 118.08 1dqq s TYR 36 Ca 0.03 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.37 1dqq s TYR 36 Cb -0.13 -0.88 -0.02 0.00 -0.40 0.00 0.00 41.96 40.54 1dqq s TYR 36 CO 0.02 0.09 -0.14 -1.14 -1.57 0.00 0.00 175.55 172.81 1dqq s GLN 37 N -1.38 2.88 -0.04 -0.62 0.74 0.30 -0.63 119.66 120.91 1dqq s GLN 37 Ca 0.04 -0.70 -0.02 0.00 0.05 0.00 0.00 55.36 54.72 1dqq s GLN 37 Cb -0.09 -2.47 0.03 0.00 1.10 0.00 0.00 33.01 31.58 1dqq s GLN 37 CO 0.02 0.43 0.06 -1.14 -0.55 0.00 0.00 175.29 174.11 1dqq s GLN 38 N -0.23 -0.04 0.27 1.67 0.74 0.10 0.18 119.66 122.35 1dqq s GLN 38 Ca 0.01 0.35 -0.09 0.00 0.05 0.00 0.00 55.36 55.68 1dqq s GLN 38 Cb -0.13 -0.57 -0.07 0.00 1.10 0.00 0.00 33.01 33.35 1dqq s GLN 38 CO 0.03 -0.34 0.59 0.15 -0.55 0.00 0.00 175.29 175.17 1dqq s LYS 39 N 2.16 3.77 0.40 1.67 3.01 -1.26 -0.84 119.74 128.65 1dqq s LYS 39 Ca 0.05 0.26 -0.25 0.00 -1.01 0.00 0.00 55.97 55.02 1dqq s LYS 39 Cb -0.12 -2.60 -0.11 0.00 -1.01 0.00 0.00 37.83 33.99 1dqq s LYS 39 CO -0.03 0.24 1.13 -1.13 0.51 0.00 0.00 175.35 176.07 1dqq n SER 40 N -0.49 1.89 -0.24 2.83 3.41 -1.26 -1.23 113.62 118.53 1dqq n SER 40 Ca 0.00 1.09 -0.03 0.00 -0.26 0.00 0.00 58.87 59.68 1dqq n SER 40 Cb 0.53 -1.41 -0.01 0.00 -0.26 0.00 0.00 64.21 63.05 1dqq n SER 40 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1dqq n HIS 41 N -0.24 0.00 -4.34 7.33 8.25 -1.26 -4.98 115.22 119.98 1dqq n HIS 41 Ca 0.08 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.34 1dqq n HIS 41 Cb 0.38 -1.63 -0.11 0.00 1.12 0.00 0.00 29.99 29.75 1dqq n HIS 41 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1dqq s GLU 42 N -1.78 1.32 0.45 -0.41 2.02 -0.36 -5.14 118.70 114.80 1dqq s GLU 42 Ca 0.00 -1.51 -0.20 0.00 0.02 0.00 0.00 54.97 53.28 1dqq s GLU 42 Cb 0.00 -1.24 -0.10 0.00 0.10 0.00 0.00 34.13 32.88 1dqq s GLU 42 CO 0.00 0.23 0.96 -1.54 0.02 0.00 0.00 175.26 174.93 1dqq s SER 43 N -3.02 6.85 0.80 -0.19 1.04 -1.26 -4.57 113.70 113.36 1dqq s SER 43 Ca 0.19 1.68 -0.14 0.00 0.48 0.00 0.00 55.95 58.16 1dqq s SER 43 Cb -0.03 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.57 1dqq s SER 43 CO 0.07 -0.42 0.76 -2.65 0.98 0.00 0.00 173.24 171.98 1dqq n PRO 44 N -0.82 0.14 -4.18 4.02 -0.02 -1.26 -4.70 135.00 128.18 1dqq n PRO 44 Ca 0.07 0.10 -0.24 0.00 -2.02 0.00 0.00 63.50 61.42 1dqq n PRO 44 Cb 0.54 -2.07 -0.17 0.00 -0.02 0.00 0.00 33.50 31.78 1dqq n PRO 44 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1dqq s ARG 45 N -3.46 1.30 0.02 -0.52 3.52 0.13 -4.94 118.95 115.00 1dqq s ARG 45 Ca 0.67 -0.23 -0.30 0.00 -0.13 0.00 0.00 55.73 55.74 1dqq s ARG 45 Cb -0.30 -1.26 -0.06 0.00 -1.56 0.00 0.00 34.95 31.77 1dqq s ARG 45 CO 0.57 -0.13 1.38 -1.17 -0.81 0.00 0.00 175.30 175.15 1dqq s LEU 46 N 1.18 4.33 -0.19 -0.88 2.96 -1.26 -0.54 118.68 124.28 1dqq s LEU 46 Ca -0.06 2.14 -0.08 0.00 -0.22 0.00 0.00 54.13 55.91 1dqq s LEU 46 Cb -0.14 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 42.90 1dqq s LEU 46 CO -0.02 -0.69 -0.23 0.18 -1.32 0.00 0.00 176.35 174.27 1dqq n LEU 47 N 5.02 1.47 -3.86 -0.68 4.77 0.27 -4.93 117.00 119.05 1dqq n LEU 47 Ca 0.12 0.20 -0.17 0.00 -0.03 0.00 0.00 56.01 56.13 1dqq n LEU 47 Cb 0.44 -0.56 -0.16 0.00 -2.33 0.00 0.00 43.42 40.81 1dqq n LEU 47 CO 0.58 0.43 -0.39 -0.63 -1.33 0.00 0.00 177.39 176.05 1dqq s ILE 48 N -2.34 0.29 0.00 -0.08 -1.09 -1.19 -3.80 121.20 113.00 1dqq s ILE 48 Ca -0.26 -0.02 0.05 0.00 -2.23 0.00 0.00 60.65 58.19 1dqq s ILE 48 Cb 0.10 -0.34 -0.03 0.00 -1.58 0.00 0.00 42.46 40.61 1dqq s ILE 48 CO 0.34 0.15 -0.15 -1.59 -1.23 0.00 0.00 174.94 172.46 1dqq s LYS 49 N 0.74 2.31 -1.19 2.79 -2.85 -0.74 -0.53 119.74 120.26 1dqq s LYS 49 Ca -0.08 -0.83 -0.03 0.00 -1.00 0.00 0.00 55.97 54.02 1dqq s LYS 49 Cb -0.11 -2.30 -0.02 0.00 -2.06 0.00 0.00 37.83 33.34 1dqq s LYS 49 CO -0.01 0.58 0.87 0.66 0.10 0.00 0.00 175.35 177.55 1dqq n TYR 50 N 1.84 -2.14 0.00 1.78 4.01 -0.96 -1.28 117.16 120.42 1dqq n TYR 50 Ca -0.16 0.85 0.00 0.00 -0.16 0.00 0.00 57.90 58.42 1dqq n TYR 50 Cb 0.52 -4.50 0.00 0.00 -0.31 0.00 0.00 39.34 35.05 1dqq n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1dqq n ALA 51 N -3.97 0.00 -1.35 -0.72 0.00 0.47 -4.00 120.51 110.94 1dqq n ALA 51 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1dqq n ALA 51 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1dqq n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1dqq n SER 52 N 1.13 0.00 -4.71 0.00 3.41 -1.24 -2.20 113.62 110.01 1dqq n SER 52 Ca 0.00 -1.00 -0.41 0.00 -0.26 0.00 0.00 58.87 57.20 1dqq n SER 52 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1dqq n SER 52 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1dqq s GLN 53 N 0.00 4.49 0.53 4.33 -0.21 -0.40 -4.73 119.66 123.67 1dqq s GLN 53 Ca 0.00 1.12 -0.17 0.00 0.02 0.00 0.00 55.36 56.32 1dqq s GLN 53 Cb 0.00 -3.45 -0.06 0.00 1.00 0.00 0.00 33.01 30.49 1dqq s GLN 53 CO 0.00 0.01 1.03 -1.54 -2.12 0.00 0.00 175.29 172.66 1dqq s SER 54 N 0.89 6.22 -0.11 5.90 1.04 -1.26 -1.80 113.70 124.59 1dqq s SER 54 Ca 0.44 1.77 0.00 0.00 0.48 0.00 0.00 55.95 58.64 1dqq s SER 54 Cb -0.19 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.37 1dqq s SER 54 CO 0.22 -0.87 -0.11 -0.63 0.98 0.00 0.00 173.24 172.83 1dqq s ILE 55 N -2.36 3.25 0.10 -1.02 -1.09 -1.25 -4.86 121.20 113.96 1dqq s ILE 55 Ca 0.63 -0.61 -0.35 0.00 -2.23 0.00 0.00 60.65 58.09 1dqq s ILE 55 Cb -0.14 -2.34 -0.14 0.00 -1.58 0.00 0.00 42.46 38.25 1dqq s ILE 55 CO 0.30 0.55 1.58 -0.24 -1.23 0.00 0.00 174.94 175.89 1dqq n SER 56 N 3.06 2.83 0.00 3.58 2.88 -1.26 -1.46 113.62 123.26 1dqq n SER 56 Ca -0.18 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 1dqq n SER 56 Cb 0.53 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 1dqq n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1dqq n GLY 57 N 3.40 2.02 3.65 0.46 0.00 -1.26 -5.04 105.19 108.42 1dqq n GLY 57 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1dqq n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dqq s ILE 58 N -2.38 4.84 0.36 -0.61 -1.09 -0.53 -5.00 121.20 116.78 1dqq s ILE 58 Ca 0.00 1.59 -0.24 0.00 -2.23 0.00 0.00 60.65 59.77 1dqq s ILE 58 Cb 0.00 -4.12 -0.14 0.00 -1.58 0.00 0.00 42.46 36.61 1dqq s ILE 58 CO 0.00 -0.06 0.43 -2.65 -1.23 0.00 0.00 174.94 171.43 1dqq n PRO 59 N 5.91 0.34 0.27 2.79 -0.02 -1.26 -4.85 135.00 138.18 1dqq n PRO 59 Ca 0.06 0.12 0.10 0.00 -2.02 0.00 0.00 63.50 61.76 1dqq n PRO 59 Cb 0.48 -1.28 0.71 0.00 -0.02 0.00 0.00 33.50 33.39 1dqq n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1dqq h SER 60 N 0.78 0.00 0.01 2.55 4.64 -1.98 -2.64 113.55 116.90 1dqq h SER 60 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1dqq h SER 60 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1dqq h SER 60 CO 0.52 0.01 0.00 -2.11 -0.87 0.00 0.00 176.83 174.38 1dqq n ARG 61 N -4.35 0.01 -3.71 4.77 1.85 -1.26 -4.49 116.66 109.48 1dqq n ARG 61 Ca -0.03 0.25 -0.36 0.00 -1.00 0.00 0.00 57.85 56.71 1dqq n ARG 61 Cb 0.09 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 29.92 1dqq n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1dqq s PHE 62 N -2.51 3.37 0.17 2.89 0.08 -1.00 -1.49 117.98 119.49 1dqq s PHE 62 Ca 0.01 0.28 -0.17 0.00 0.12 0.00 0.00 56.93 57.16 1dqq s PHE 62 Cb 0.00 -2.20 0.03 0.00 -0.57 0.00 0.00 43.02 40.29 1dqq s PHE 62 CO 0.01 0.20 0.49 -1.54 -0.10 0.00 0.00 175.22 174.28 1dqq s SER 63 N 0.63 -0.27 0.16 1.36 1.04 -0.77 -5.01 113.70 110.84 1dqq s SER 63 Ca 0.08 -0.41 -0.10 0.00 0.48 0.00 0.00 55.95 56.00 1dqq s SER 63 Cb -0.12 0.55 -0.00 0.00 0.10 0.00 0.00 66.02 66.55 1dqq s SER 63 CO 0.01 -0.99 0.30 -0.83 0.98 0.00 0.00 173.24 172.71 1dqq s GLY 64 N -2.85 0.36 0.24 7.32 0.00 -1.26 0.12 107.32 111.25 1dqq s GLY 64 Ca 0.07 -0.77 -0.18 0.00 0.00 0.00 0.00 44.72 43.84 1dqq s GLY 64 CO -0.06 -0.76 0.60 -1.35 0.00 0.00 0.00 173.10 171.53 1dqq s SER 65 N -2.94 -0.23 0.00 1.64 1.04 -0.76 -4.17 113.70 108.27 1dqq s SER 65 Ca 0.15 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1dqq s SER 65 Cb 0.03 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1dqq s SER 65 CO -0.02 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.62 1dqq n GLY 66 N -0.40 2.95 3.64 7.32 0.00 -1.26 -1.74 105.19 115.69 1dqq n GLY 66 Ca -0.06 -2.01 -0.07 0.00 0.00 0.00 0.00 46.02 43.89 1dqq n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dqq s SER 67 N 0.00 -0.28 0.00 1.61 0.01 -1.22 -4.80 113.70 109.02 1dqq s SER 67 Ca 0.00 0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.76 1dqq s SER 67 Cb 0.00 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1dqq s SER 67 CO 0.00 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1dqq n GLY 68 N 1.72 0.74 0.00 3.44 0.00 -0.47 -4.23 105.19 106.39 1dqq n GLY 68 Ca -0.11 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1dqq n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dqq n THR 69 N 0.00 0.00 -3.82 2.61 -2.24 -1.26 -0.76 114.28 108.80 1dqq n THR 69 Ca 0.00 -0.02 -0.36 0.00 -2.27 0.00 0.00 64.05 61.40 1dqq n THR 69 Cb 0.00 0.27 -0.13 0.00 -2.10 0.00 0.00 70.33 68.37 1dqq n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1dqq s ASP 70 N -0.39 4.81 0.12 3.42 -0.00 -1.26 -0.92 116.67 122.45 1dqq s ASP 70 Ca 0.00 -0.59 0.08 0.00 -0.00 0.00 0.00 52.55 52.04 1dqq s ASP 70 Cb 0.00 -1.82 -0.04 0.00 -0.00 0.00 0.00 42.92 41.06 1dqq s ASP 70 CO 0.00 -0.12 -0.19 -0.36 -0.00 0.00 0.00 175.17 174.50 1dqq s PHE 71 N 1.48 1.70 -0.02 4.23 0.40 -0.46 -3.44 117.98 121.87 1dqq s PHE 71 Ca 0.03 -0.45 0.01 0.00 -0.60 0.00 0.00 56.93 55.92 1dqq s PHE 71 Cb -0.16 -0.90 0.02 0.00 0.51 0.00 0.00 43.02 42.49 1dqq s PHE 71 CO 0.00 0.22 -0.01 0.99 0.70 0.00 0.00 175.22 177.13 1dqq s THR 72 N -1.56 0.20 -0.26 0.64 2.01 -0.71 -2.13 115.64 113.83 1dqq s THR 72 Ca 0.09 0.02 -0.08 0.00 0.31 0.00 0.00 61.69 62.03 1dqq s THR 72 Cb -0.08 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.15 1dqq s THR 72 CO 0.05 0.12 0.09 -0.22 -0.69 0.00 0.00 174.62 173.96 1dqq s LEU 73 N 0.70 3.54 -0.11 4.42 2.96 -0.15 -1.83 118.68 128.21 1dqq s LEU 73 Ca -0.07 -0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 53.59 1dqq s LEU 73 Cb -0.10 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 1dqq s LEU 73 CO -0.01 -0.05 0.01 -0.44 -1.32 0.00 0.00 176.35 174.54 1dqq s SER 74 N 1.63 5.24 -0.30 3.68 0.01 0.12 -0.20 113.70 123.87 1dqq s SER 74 Ca 0.06 0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.43 1dqq s SER 74 Cb -0.15 -1.59 0.09 0.00 0.21 0.00 0.00 66.02 64.58 1dqq s SER 74 CO 0.04 0.32 0.06 -0.63 0.41 0.00 0.00 173.24 173.45 1dqq s ILE 75 N -0.54 1.33 -0.27 1.44 1.01 -0.12 -1.84 121.20 122.21 1dqq s ILE 75 Ca 0.09 -1.59 -0.23 0.00 0.00 0.00 0.00 60.65 58.93 1dqq s ILE 75 Cb -0.12 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 1dqq s ILE 75 CO 0.02 -0.55 0.76 0.20 0.00 0.00 0.00 174.94 175.37 1dqq s ASN 76 N 1.40 6.71 -0.58 3.58 0.02 -0.56 -0.41 114.94 125.10 1dqq s ASN 76 Ca 0.07 0.82 -0.02 0.00 -1.02 0.00 0.00 52.86 52.71 1dqq s ASN 76 Cb -0.18 -2.40 -0.02 0.00 0.02 0.00 0.00 41.25 38.67 1dqq s ASN 76 CO -0.17 -0.51 0.53 -0.24 0.02 0.00 0.00 177.10 176.73 1dqq n SER 77 N 5.99 -5.41 -4.55 -1.22 2.88 -0.80 -4.74 113.62 105.76 1dqq n SER 77 Ca 0.03 -0.25 -0.40 0.00 -1.33 0.00 0.00 58.87 56.92 1dqq n SER 77 Cb 0.48 -3.70 0.03 0.00 -0.75 0.00 0.00 64.21 60.27 1dqq n SER 77 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1dqq n VAL 78 N -2.07 2.61 -4.41 2.46 0.31 0.25 -4.54 118.33 112.94 1dqq n VAL 78 Ca -0.02 -0.50 -0.26 0.00 -0.01 0.00 0.00 64.34 63.55 1dqq n VAL 78 Cb 0.54 -0.93 -0.11 0.00 -0.91 0.00 0.00 33.84 32.42 1dqq n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1dqq s GLU 79 N -2.15 1.49 0.52 5.55 2.02 -1.26 -0.73 118.70 124.14 1dqq s GLU 79 Ca 0.68 -1.53 0.34 0.00 0.02 0.00 0.00 54.97 54.48 1dqq s GLU 79 Cb -0.50 -1.74 1.49 0.00 0.10 0.00 0.00 34.13 33.48 1dqq s GLU 79 CO 0.54 0.37 1.78 1.79 0.02 0.00 0.00 175.26 179.76 1dqq h THR 80 N 3.11 0.39 -0.00 3.63 1.35 -1.97 0.26 112.91 119.68 1dqq h THR 80 Ca -0.45 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1dqq h THR 80 Cb 1.21 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1dqq h THR 80 CO 0.50 0.01 -0.05 -1.84 -0.25 0.00 0.00 175.52 173.89 1dqq n GLU 81 N -4.26 0.53 0.08 4.72 0.28 -1.26 -3.55 120.64 117.18 1dqq n GLU 81 Ca 0.27 -0.08 0.12 0.00 -0.16 0.00 0.00 57.16 57.31 1dqq n GLU 81 Cb 1.24 -1.50 0.23 0.00 1.43 0.00 0.00 31.44 32.84 1dqq n GLU 81 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1dqq h ASP 82 N 0.20 0.00 -3.23 -1.84 3.32 -0.88 -3.46 116.42 110.53 1dqq h ASP 82 Ca 0.00 -0.15 -0.53 0.00 0.02 0.00 0.00 57.03 56.38 1dqq h ASP 82 Cb 0.31 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.92 1dqq h ASP 82 CO 0.00 0.07 0.84 -0.36 -1.72 0.00 0.00 179.24 178.07 1dqq s PHE 83 N -3.15 2.93 -5.00 4.55 0.40 -1.23 -4.83 117.98 111.64 1dqq s PHE 83 Ca 0.07 0.83 0.00 0.00 -0.60 0.00 0.00 56.93 57.24 1dqq s PHE 83 Cb 0.13 -3.94 0.00 0.00 0.51 0.00 0.00 43.02 39.71 1dqq s PHE 83 CO 0.69 -3.21 0.00 0.41 0.70 0.00 0.00 175.22 173.80 1dqq n GLY 84 N 2.54 -0.37 3.90 4.36 0.00 -1.02 -4.90 105.19 109.70 1dqq n GLY 84 Ca 0.09 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 1dqq n GLY 84 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1dqq s MET 85 N -2.00 3.50 -0.09 1.61 -1.94 -0.02 -1.22 119.30 119.13 1dqq s MET 85 Ca 0.00 -0.26 0.01 0.00 -1.71 0.00 0.00 55.69 53.73 1dqq s MET 85 Cb 0.00 -3.04 0.02 0.00 2.01 0.00 0.00 34.83 33.81 1dqq s MET 85 CO 0.00 0.62 -0.10 0.71 -0.01 0.00 0.00 175.02 176.24 1dqq s TYR 86 N -1.41 1.52 0.12 -0.03 1.51 -0.38 0.00 117.35 118.69 1dqq s TYR 86 Ca 0.31 -0.68 0.09 0.00 -1.01 0.00 0.00 57.07 55.78 1dqq s TYR 86 Cb -0.13 -1.18 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 1dqq s TYR 86 CO 0.21 -0.41 -0.21 -0.06 -1.11 0.00 0.00 175.55 173.97 1dqq s PHE 87 N 1.18 1.87 0.20 2.71 0.40 0.20 -0.63 117.98 123.92 1dqq s PHE 87 Ca -0.05 -0.42 0.10 0.00 -0.60 0.00 0.00 56.93 55.96 1dqq s PHE 87 Cb -0.14 -1.00 -0.04 0.00 0.51 0.00 0.00 43.02 42.35 1dqq s PHE 87 CO -0.03 0.26 -0.11 0.00 0.70 0.00 0.00 175.22 176.05 1dqq s GLN 89 N -2.99 0.47 -0.03 0.00 -0.44 -0.10 -0.34 119.66 116.23 1dqq s GLN 89 Ca 0.26 0.68 -0.01 0.00 -2.50 0.00 0.00 55.36 53.79 1dqq s GLN 89 Cb -0.08 0.15 -0.04 0.00 -1.64 0.00 0.00 33.01 31.40 1dqq s GLN 89 CO 0.15 -0.10 0.08 1.14 0.50 0.00 0.00 175.29 177.07 1dqq s GLN 90 N 0.68 3.12 -0.13 1.67 1.03 -0.71 -0.38 119.66 124.93 1dqq s GLN 90 Ca -0.04 -0.43 0.15 0.00 0.04 0.00 0.00 55.36 55.09 1dqq s GLN 90 Cb -0.05 -2.90 0.32 0.00 0.03 0.00 0.00 33.01 30.40 1dqq s GLN 90 CO -0.05 0.67 1.16 -1.13 -2.54 0.00 0.00 175.29 173.40 1dqq n SER 91 N 1.38 1.77 -0.02 12.60 3.41 -0.76 -3.27 113.62 128.73 1dqq n SER 91 Ca -0.14 -3.18 -0.13 0.00 -0.26 0.00 0.00 58.87 55.16 1dqq n SER 91 Cb 0.53 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 63.95 1dqq n SER 91 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1dqq h ASN 92 N 0.43 -0.04 -4.76 4.04 -0.73 -1.87 -3.47 115.58 109.18 1dqq h ASN 92 Ca -0.02 -0.60 -0.25 0.00 1.87 0.00 0.00 56.30 57.30 1dqq h ASN 92 Cb 1.11 0.01 -0.19 0.00 0.27 0.00 0.00 38.32 39.52 1dqq h ASN 92 CO 0.01 0.61 -0.72 -0.94 -0.37 0.00 0.00 177.43 176.02 1dqq s SER 93 N -5.80 0.87 0.19 1.15 1.04 -1.26 -5.12 113.70 104.77 1dqq s SER 93 Ca -0.16 -0.68 -0.27 0.00 0.48 0.00 0.00 55.95 55.33 1dqq s SER 93 Cb -0.00 0.06 -0.08 0.00 0.10 0.00 0.00 66.02 66.10 1dqq s SER 93 CO 0.62 -0.29 0.84 0.86 0.98 0.00 0.00 173.24 176.25 1dqq s TRP 94 N -2.03 3.93 0.34 5.02 -0.11 -1.26 -3.59 118.94 121.24 1dqq s TRP 94 Ca -0.04 1.73 -0.25 0.00 1.22 0.00 0.00 56.10 58.76 1dqq s TRP 94 Cb -0.06 -2.85 -0.10 0.00 -1.50 0.00 0.00 33.47 28.96 1dqq s TRP 94 CO -0.01 0.48 0.95 -1.25 -4.62 0.00 0.00 176.95 172.49 1dqq s PRO 95 N -1.10 4.51 0.48 5.86 0.04 -1.26 -4.90 135.00 138.64 1dqq s PRO 95 Ca 0.38 1.29 -0.23 0.00 0.04 0.00 0.00 61.00 62.48 1dqq s PRO 95 Cb -0.24 -2.67 -0.07 0.00 0.04 0.00 0.00 34.50 31.56 1dqq s PRO 95 CO 0.28 0.22 1.23 0.71 0.04 0.00 0.00 177.00 179.48 1dqq s TYR 96 N -1.73 2.69 0.04 0.56 4.12 -1.24 -4.64 117.35 117.16 1dqq s TYR 96 Ca 0.53 1.48 -0.00 0.00 0.02 0.00 0.00 57.07 59.09 1dqq s TYR 96 Cb -0.17 -3.53 -0.03 0.00 -1.52 0.00 0.00 41.96 36.71 1dqq s TYR 96 CO 0.22 -1.97 -0.03 -0.08 0.02 0.00 0.00 175.55 173.70 1dqq s THR 97 N -1.45 0.24 0.19 -0.71 -1.32 -1.20 -5.00 115.64 106.38 1dqq s THR 97 Ca 0.65 -1.51 0.07 0.00 -1.21 0.00 0.00 61.69 59.70 1dqq s THR 97 Cb -0.33 -1.10 -0.04 0.00 -1.51 0.00 0.00 72.50 69.52 1dqq s THR 97 CO 0.40 -0.81 0.03 -0.36 -2.21 0.00 0.00 174.62 171.67 1dqq s PHE 98 N -3.02 2.90 0.82 9.09 0.40 -1.26 -1.74 117.98 125.16 1dqq s PHE 98 Ca -0.00 -0.12 -0.12 0.00 -0.60 0.00 0.00 56.93 56.08 1dqq s PHE 98 Cb 0.01 -1.39 0.10 0.00 0.51 0.00 0.00 43.02 42.26 1dqq s PHE 98 CO -0.06 0.53 1.18 0.20 0.70 0.00 0.00 175.22 177.77 1dqq s GLY 99 N -3.09 1.64 0.00 4.36 0.00 0.54 -4.57 107.32 106.20 1dqq s GLY 99 Ca 0.29 -0.81 0.19 0.00 0.00 0.00 0.00 44.72 44.39 1dqq s GLY 99 CO 0.20 -0.27 1.58 0.61 0.00 0.00 0.00 173.10 175.22 1dqq n GLY 100 N -3.35 -1.01 0.00 0.20 0.00 -1.24 -4.72 105.19 95.07 1dqq n GLY 100 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1dqq n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dqq n GLY 101 N 0.35 -2.72 3.28 -0.02 0.00 -1.26 -5.02 105.19 99.81 1dqq n GLY 101 Ca 0.07 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 1dqq n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dqq s THR 102 N -3.90 2.01 -0.22 2.61 2.01 0.20 -4.79 115.64 113.57 1dqq s THR 102 Ca 0.00 -1.07 -0.13 0.00 0.31 0.00 0.00 61.69 60.80 1dqq s THR 102 Cb 0.00 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1dqq s THR 102 CO 0.00 0.57 0.28 -0.75 -0.69 0.00 0.00 174.62 174.02 1dqq s LYS 103 N -0.39 4.13 -0.41 4.92 2.20 0.48 -1.25 119.74 129.42 1dqq s LYS 103 Ca 0.03 -0.03 -0.14 0.00 -0.36 0.00 0.00 55.97 55.47 1dqq s LYS 103 Cb -0.12 -3.53 0.03 0.00 -1.51 0.00 0.00 37.83 32.70 1dqq s LYS 103 CO 0.01 0.03 0.29 -1.17 -0.36 0.00 0.00 175.35 174.15 1dqq s LEU 104 N 1.14 5.08 0.36 5.43 2.96 -0.36 0.06 118.68 133.34 1dqq s LEU 104 Ca 0.13 -0.99 0.09 0.00 -0.22 0.00 0.00 54.13 53.14 1dqq s LEU 104 Cb -0.14 -2.12 -0.06 0.00 0.50 0.00 0.00 46.19 44.37 1dqq s LEU 104 CO 0.06 -0.46 0.04 -1.83 -1.32 0.00 0.00 176.35 172.84 1dqq s GLU 105 N 1.64 2.10 -0.12 1.98 -1.05 -0.17 -2.44 118.70 120.64 1dqq s GLU 105 Ca 0.04 -1.78 -0.23 0.00 -0.15 0.00 0.00 54.97 52.85 1dqq s GLU 105 Cb -0.20 -1.92 -0.03 0.00 -0.44 0.00 0.00 34.13 31.54 1dqq s GLU 105 CO 0.09 0.08 0.69 0.42 0.95 0.00 0.00 175.26 177.48 1dqq s ILE 106 N -2.54 5.02 0.18 1.83 1.09 -1.26 -1.17 121.20 124.35 1dqq s ILE 106 Ca 0.36 1.37 -0.22 0.00 -1.10 0.00 0.00 60.65 61.06 1dqq s ILE 106 Cb 0.01 -4.01 -0.08 0.00 -1.06 0.00 0.00 42.46 37.32 1dqq s ILE 106 CO 0.20 0.18 0.72 -0.75 -0.10 0.00 0.00 174.94 175.19 1dqq s LYS 107 N 1.30 4.35 0.29 2.79 2.36 -0.35 -4.78 119.74 125.71 1dqq s LYS 107 Ca 0.34 0.95 -0.03 0.00 -2.55 0.00 0.00 55.97 54.68 1dqq s LYS 107 Cb -0.17 -3.07 -0.01 0.00 -1.05 0.00 0.00 37.83 33.53 1dqq s LYS 107 CO 0.15 0.50 0.38 -0.98 1.55 0.00 0.00 175.35 176.94 1dqq s ARG 108 N -1.55 1.66 0.29 4.03 1.70 -1.26 -4.83 118.95 119.00 1dqq s ARG 108 Ca 0.38 -1.65 -0.29 0.00 -0.47 0.00 0.00 55.73 53.70 1dqq s ARG 108 Cb -0.19 0.40 -0.10 0.00 -0.57 0.00 0.00 34.95 34.49 1dqq s ARG 108 CO 0.23 -0.66 1.29 0.00 -1.08 0.00 0.00 175.30 175.08 1dqq s ALA 109 N -3.55 3.50 0.50 7.88 0.00 -1.26 -4.94 121.76 123.89 1dqq s ALA 109 Ca 0.32 1.20 -0.22 0.00 0.00 0.00 0.00 51.96 53.26 1dqq s ALA 109 Cb 0.01 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 1dqq s ALA 109 CO 0.17 -0.57 0.96 -0.25 0.00 0.00 0.00 175.76 176.06 1dqq n ASP 110 N 1.31 0.92 -3.78 0.00 8.00 -1.26 -4.84 116.55 116.90 1dqq n ASP 110 Ca 0.02 0.93 -0.13 0.00 0.71 0.00 0.00 54.79 56.32 1dqq n ASP 110 Cb 0.42 -1.35 -0.13 0.00 -0.02 0.00 0.00 41.12 40.04 1dqq n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dqq s ALA 111 N -1.40 -0.39 0.39 2.24 0.00 0.13 -4.92 121.76 117.82 1dqq s ALA 111 Ca 0.68 0.63 -0.23 0.00 0.00 0.00 0.00 51.96 53.04 1dqq s ALA 111 Cb -0.49 -0.40 -0.10 0.00 0.00 0.00 0.00 23.12 22.13 1dqq s ALA 111 CO 0.53 -0.13 0.98 0.00 0.00 0.00 0.00 175.76 177.15 1dqq s ALA 112 N 0.65 3.09 0.54 0.00 0.00 -1.26 -1.34 121.76 123.44 1dqq s ALA 112 Ca -0.05 0.54 -0.18 0.00 0.00 0.00 0.00 51.96 52.27 1dqq s ALA 112 Cb -0.06 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.80 1dqq s ALA 112 CO -0.03 0.02 1.05 -1.25 0.00 0.00 0.00 175.76 175.54 1dqq s PRO 113 N -2.64 3.56 -0.31 0.00 0.04 -1.26 -4.52 135.00 129.87 1dqq s PRO 113 Ca 0.57 1.29 -0.13 0.00 0.04 0.00 0.00 61.00 62.77 1dqq s PRO 113 Cb -0.16 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 1dqq s PRO 113 CO 0.21 -0.62 0.26 0.99 0.04 0.00 0.00 177.00 177.88 1dqq s THR 114 N -2.21 5.26 -0.16 1.26 2.01 -0.34 -4.85 115.64 116.61 1dqq s THR 114 Ca 0.66 0.09 -0.06 0.00 0.31 0.00 0.00 61.69 62.68 1dqq s THR 114 Cb -0.16 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1dqq s THR 114 CO 0.28 0.10 0.05 -0.69 -0.69 0.00 0.00 174.62 173.68 1dqq s VAL 115 N 1.84 4.73 -0.02 3.82 1.01 -1.26 -1.09 120.40 129.42 1dqq s VAL 115 Ca 0.09 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1dqq s VAL 115 Cb -0.16 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1dqq s VAL 115 CO 0.11 0.49 -0.07 -0.44 0.00 0.00 0.00 175.10 175.19 1dqq s SER 116 N 0.11 0.92 0.04 3.32 0.01 -0.64 -4.97 113.70 112.49 1dqq s SER 116 Ca 0.05 -0.14 0.08 0.00 1.31 0.00 0.00 55.95 57.25 1dqq s SER 116 Cb -0.12 -0.24 -0.03 0.00 0.21 0.00 0.00 66.02 65.84 1dqq s SER 116 CO 0.01 0.04 -0.22 -0.51 0.41 0.00 0.00 173.24 172.97 1dqq s ILE 117 N 0.20 2.48 -0.04 1.44 2.07 -1.26 -1.26 121.20 124.84 1dqq s ILE 117 Ca -0.03 -1.28 0.01 0.00 -1.41 0.00 0.00 60.65 57.94 1dqq s ILE 117 Cb -0.07 -2.01 0.02 0.00 0.13 0.00 0.00 42.46 40.53 1dqq s ILE 117 CO 0.00 0.35 -0.05 -0.36 -1.91 0.00 0.00 174.94 172.98 1dqq s PHE 118 N -0.86 0.70 0.87 3.50 0.40 0.10 -5.00 117.98 117.68 1dqq s PHE 118 Ca 0.13 -0.18 -0.13 0.00 -0.60 0.00 0.00 56.93 56.15 1dqq s PHE 118 Cb -0.10 -0.60 0.12 0.00 0.51 0.00 0.00 43.02 42.95 1dqq s PHE 118 CO 0.04 -0.15 1.20 -1.25 0.70 0.00 0.00 175.22 175.76 1dqq s PRO 119 N 0.69 1.49 0.52 0.24 0.04 -1.26 -1.64 135.00 135.08 1dqq s PRO 119 Ca -0.09 0.03 -0.22 0.00 0.04 0.00 0.00 61.00 60.75 1dqq s PRO 119 Cb -0.12 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1dqq s PRO 119 CO 0.00 -1.91 1.33 -2.14 0.04 0.00 0.00 177.00 174.33 1dqq s PRO 120 N -5.59 3.30 0.59 0.56 0.02 -1.19 -4.79 135.00 127.89 1dqq s PRO 120 Ca 0.65 2.17 -0.14 0.00 0.02 0.00 0.00 61.00 63.70 1dqq s PRO 120 Cb -0.10 -2.32 -0.05 0.00 0.02 0.00 0.00 34.50 32.05 1dqq s PRO 120 CO 0.51 -1.04 1.02 -1.54 -0.33 0.00 0.00 177.00 175.62 1dqq s SER 121 N -0.98 6.15 0.39 2.53 1.04 -1.26 -4.92 113.70 116.66 1dqq s SER 121 Ca 0.69 1.59 0.11 0.00 0.48 0.00 0.00 55.95 58.82 1dqq s SER 121 Cb -0.39 -2.50 0.81 0.00 0.10 0.00 0.00 66.02 64.04 1dqq s SER 121 CO 0.46 -0.91 1.92 0.77 0.98 0.00 0.00 173.24 176.46 1dqq h SER 122 N 0.26 0.16 0.25 7.02 4.64 -1.99 -1.88 113.55 122.00 1dqq h SER 122 Ca -0.46 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 1dqq h SER 122 Cb 1.20 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1dqq h SER 122 CO 0.60 0.35 -0.12 -0.33 -0.87 0.00 0.00 176.83 176.46 1dqq h GLU 123 N 0.16 -0.32 -0.79 4.77 3.07 -1.99 -1.06 114.58 118.42 1dqq h GLU 123 Ca 0.03 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.87 1dqq h GLU 123 Cb 0.41 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.35 1dqq h GLU 123 CO 0.03 -0.21 0.34 0.37 -1.40 0.00 0.00 179.01 178.13 1dqq h GLN 124 N -0.33 1.17 -0.58 2.33 4.15 -1.80 -2.73 115.11 117.31 1dqq h GLN 124 Ca -0.03 -0.20 0.01 0.00 0.77 0.00 0.00 58.65 59.20 1dqq h GLN 124 Cb 0.25 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 1dqq h GLN 124 CO 0.06 0.94 0.37 -0.07 -1.93 0.00 0.00 178.83 178.20 1dqq h LEU 125 N 1.15 0.63 -1.71 -2.39 3.38 -1.14 -0.93 115.31 114.30 1dqq h LEU 125 Ca 0.27 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.37 1dqq h LEU 125 Cb 0.19 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1dqq h LEU 125 CO -0.03 0.45 0.44 0.74 0.09 0.00 0.00 178.44 180.14 1dqq h THR 126 N 0.75 0.80 -0.01 0.22 2.02 -0.89 0.58 112.91 116.38 1dqq h THR 126 Ca 0.22 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1dqq h THR 126 Cb -0.04 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1dqq h THR 126 CO -0.07 0.05 -0.01 -1.54 0.37 0.00 0.00 175.52 174.32 1dqq n SER 127 N -4.45 1.23 0.00 4.18 3.41 -0.43 -4.93 113.62 112.63 1dqq n SER 127 Ca 0.12 -1.37 0.00 0.00 -0.26 0.00 0.00 58.87 57.35 1dqq n SER 127 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1dqq n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dqq n GLY 128 N 1.16 0.63 3.81 5.00 0.00 0.20 -5.06 105.19 110.92 1dqq n GLY 128 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1dqq n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dqq s GLY 129 N -1.29 1.81 -0.37 -0.02 0.00 -0.73 -1.36 107.32 105.36 1dqq s GLY 129 Ca 0.00 -1.70 0.04 0.00 0.00 0.00 0.00 44.72 43.06 1dqq s GLY 129 CO 0.00 -1.64 0.47 0.00 0.00 0.00 0.00 173.10 171.93 1dqq s ALA 130 N -2.34 -1.22 -0.21 3.20 0.00 0.09 -3.11 121.76 118.17 1dqq s ALA 130 Ca 0.39 -0.34 -0.09 0.00 0.00 0.00 0.00 51.96 51.92 1dqq s ALA 130 Cb -0.05 -2.28 -0.05 0.00 0.00 0.00 0.00 23.12 20.75 1dqq s ALA 130 CO 0.25 -2.08 0.11 -1.12 0.00 0.00 0.00 175.76 172.92 1dqq s SER 131 N 1.81 5.90 -0.22 0.00 0.01 -1.26 -0.24 113.70 119.70 1dqq s SER 131 Ca 0.15 0.11 -0.07 0.00 1.31 0.00 0.00 55.95 57.45 1dqq s SER 131 Cb -0.11 -2.04 -0.03 0.00 0.21 0.00 0.00 66.02 64.05 1dqq s SER 131 CO -0.10 0.13 0.06 -0.69 0.41 0.00 0.00 173.24 173.05 1dqq s VAL 132 N 0.65 4.49 -0.06 3.43 1.01 0.69 -3.19 120.40 127.41 1dqq s VAL 132 Ca 0.06 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1dqq s VAL 132 Cb -0.13 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1dqq s VAL 132 CO 0.01 0.39 -0.10 -0.69 0.00 0.00 0.00 175.10 174.71 1dqq s VAL 133 N 1.10 3.45 -0.08 2.92 1.01 -0.65 -0.68 120.40 127.46 1dqq s VAL 133 Ca 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1dqq s VAL 133 Cb -0.14 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.87 1dqq s VAL 133 CO 0.03 0.59 -0.06 0.00 0.00 0.00 0.00 175.10 175.67 1dqq s PHE 135 N 1.37 3.18 -0.43 0.00 0.08 -0.39 -0.13 117.98 121.66 1dqq s PHE 135 Ca -0.03 0.04 0.03 0.00 0.12 0.00 0.00 56.93 57.09 1dqq s PHE 135 Cb -0.14 -1.95 0.12 0.00 -0.57 0.00 0.00 43.02 40.48 1dqq s PHE 135 CO -0.03 0.24 0.17 -0.51 -0.10 0.00 0.00 175.22 174.99 1dqq s LEU 136 N -0.10 4.12 0.03 -0.37 1.02 0.75 -1.62 118.68 122.52 1dqq s LEU 136 Ca 0.05 -2.57 0.01 0.00 0.02 0.00 0.00 54.13 51.64 1dqq s LEU 136 Cb -0.12 -1.51 -0.04 0.00 0.02 0.00 0.00 46.19 44.54 1dqq s LEU 136 CO 0.02 -0.30 0.11 0.20 0.02 0.00 0.00 176.35 176.39 1dqq s ASN 137 N 0.34 5.78 -1.13 2.29 0.01 -0.25 -0.66 114.94 121.32 1dqq s ASN 137 Ca 0.14 0.13 -0.18 0.00 -0.71 0.00 0.00 52.86 52.25 1dqq s ASN 137 Cb -0.23 -1.66 -0.02 0.00 0.41 0.00 0.00 41.25 39.76 1dqq s ASN 137 CO -0.05 0.22 0.81 0.59 -1.51 0.00 0.00 177.10 177.17 1dqq n ASN 138 N 0.79 -5.37 -4.62 -1.22 4.13 -0.90 -1.19 115.26 106.88 1dqq n ASN 138 Ca -0.10 -0.96 -0.27 0.00 1.68 0.00 0.00 54.58 54.93 1dqq n ASN 138 Cb 0.52 -3.70 -0.10 0.00 -1.54 0.00 0.00 39.78 34.95 1dqq n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1dqq s PHE 139 N -3.46 2.51 -0.28 3.10 -0.71 0.17 -4.60 117.98 114.71 1dqq s PHE 139 Ca 0.45 -0.62 -0.24 0.00 -1.04 0.00 0.00 56.93 55.49 1dqq s PHE 139 Cb -0.14 -1.71 0.11 0.00 -1.21 0.00 0.00 43.02 40.07 1dqq s PHE 139 CO 0.84 0.45 0.94 -0.47 -1.34 0.00 0.00 175.22 175.64 1dqq s TYR 140 N -2.67 -0.58 1.11 3.49 6.14 -0.45 -0.34 117.35 124.05 1dqq s TYR 140 Ca 0.35 1.39 -0.16 0.00 0.64 0.00 0.00 57.07 59.29 1dqq s TYR 140 Cb 0.07 0.35 0.24 0.00 0.42 0.00 0.00 41.96 43.04 1dqq s TYR 140 CO 0.18 -0.28 1.10 -1.25 0.64 0.00 0.00 175.55 175.95 1dqq s PRO 141 N 0.39 -0.46 0.49 4.97 0.04 -1.26 -0.69 135.00 138.47 1dqq s PRO 141 Ca 0.01 0.19 0.15 0.00 0.04 0.00 0.00 61.00 61.39 1dqq s PRO 141 Cb -0.05 -1.66 1.17 0.00 0.04 0.00 0.00 34.50 34.00 1dqq s PRO 141 CO -0.06 -3.26 2.09 -0.22 0.04 0.00 0.00 177.00 175.59 1dqq h LYS 142 N -2.26 0.17 -6.54 4.56 3.64 -1.97 -3.43 116.57 110.74 1dqq h LYS 142 Ca -0.50 -0.01 -0.54 0.00 -1.27 0.00 0.00 60.65 58.33 1dqq h LYS 142 Cb 1.31 -0.04 0.05 0.00 -0.41 0.00 0.00 32.23 33.14 1dqq h LYS 142 CO 0.46 0.11 1.05 -3.47 -2.27 0.00 0.00 179.45 175.33 1dqq n ASP 143 N -4.49 3.89 -3.51 4.20 2.03 -1.26 -4.97 116.55 112.43 1dqq n ASP 143 Ca 0.02 1.02 -0.17 0.00 0.52 0.00 0.00 54.79 56.18 1dqq n ASP 143 Cb 0.19 -1.53 -0.05 0.00 -0.72 0.00 0.00 41.12 39.01 1dqq n ASP 143 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1dqq s ILE 144 N 2.16 0.00 -0.12 5.18 2.07 -1.26 -4.70 121.20 124.54 1dqq s ILE 144 Ca 0.80 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 60.07 1dqq s ILE 144 Cb -0.52 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.07 1dqq s ILE 144 CO 0.37 0.00 -0.22 0.21 -1.91 0.00 0.00 174.94 173.39 1dqq s ASN 145 N -1.42 3.23 -0.06 4.50 2.47 -0.59 -5.00 114.94 118.08 1dqq s ASN 145 Ca -0.09 -0.54 0.05 0.00 0.42 0.00 0.00 52.86 52.70 1dqq s ASN 145 Cb -0.00 -1.45 -0.02 0.00 -1.45 0.00 0.00 41.25 38.33 1dqq s ASN 145 CO 0.06 0.13 -0.21 0.54 -3.72 0.00 0.00 177.10 173.91 1dqq s VAL 146 N 0.51 2.45 -0.04 -5.21 0.11 -1.26 -0.52 120.40 116.44 1dqq s VAL 146 Ca -0.14 -0.93 0.02 0.00 -2.93 0.00 0.00 61.98 58.00 1dqq s VAL 146 Cb -0.17 -1.92 0.01 0.00 -1.53 0.00 0.00 36.38 32.77 1dqq s VAL 146 CO 0.05 0.57 -0.09 -0.75 -3.33 0.00 0.00 175.10 171.56 1dqq s LYS 147 N -0.36 1.14 -0.10 1.54 2.20 0.85 -4.97 119.74 120.03 1dqq s LYS 147 Ca 0.03 -0.28 -0.04 0.00 -0.36 0.00 0.00 55.97 55.32 1dqq s LYS 147 Cb -0.12 -1.03 -0.04 0.00 -1.51 0.00 0.00 37.83 35.13 1dqq s LYS 147 CO 0.02 0.04 0.05 -1.58 -0.36 0.00 0.00 175.35 173.52 1dqq s TRP 148 N 0.52 3.31 -0.02 4.03 0.52 -1.26 -0.09 118.94 125.94 1dqq s TRP 148 Ca -0.09 0.29 0.04 0.00 0.02 0.00 0.00 56.10 56.36 1dqq s TRP 148 Cb -0.12 -1.86 -0.00 0.00 -1.15 0.00 0.00 33.47 30.33 1dqq s TRP 148 CO 0.01 0.53 -0.13 0.15 0.02 0.00 0.00 176.95 177.53 1dqq s LYS 149 N -0.83 1.25 -0.21 4.98 1.02 -0.17 -0.37 119.74 125.41 1dqq s LYS 149 Ca 0.13 -0.46 0.01 0.00 0.02 0.00 0.00 55.97 55.67 1dqq s LYS 149 Cb -0.12 -1.15 0.04 0.00 -0.52 0.00 0.00 37.83 36.09 1dqq s LYS 149 CO 0.03 0.22 -0.12 0.42 -0.92 0.00 0.00 175.35 174.97 1dqq s ILE 150 N -0.05 1.87 -2.02 2.17 1.01 -0.35 -0.43 121.20 123.41 1dqq s ILE 150 Ca -0.00 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 59.48 1dqq s ILE 150 Cb -0.08 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.49 1dqq s ILE 150 CO 0.01 0.19 0.00 0.47 0.00 0.00 0.00 174.94 175.61 1dqq n ASP 151 N 4.60 -5.57 0.00 3.58 8.00 -0.08 -1.66 116.55 125.43 1dqq n ASP 151 Ca -0.16 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1dqq n ASP 151 Cb 0.46 -4.81 0.00 0.00 -0.02 0.00 0.00 41.12 36.75 1dqq n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dqq n GLY 152 N -0.62 0.76 3.23 0.44 0.00 -1.26 -5.01 105.19 102.73 1dqq n GLY 152 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1dqq n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dqq s SER 153 N -2.44 3.48 0.35 1.61 0.01 -0.66 -5.04 113.70 111.01 1dqq s SER 153 Ca 0.00 -0.51 -0.27 0.00 1.31 0.00 0.00 55.95 56.47 1dqq s SER 153 Cb 0.00 -1.53 -0.12 0.00 0.21 0.00 0.00 66.02 64.58 1dqq s SER 153 CO 0.00 0.08 1.22 1.21 0.41 0.00 0.00 173.24 176.16 1dqq n GLU 154 N 4.08 1.92 -4.65 12.44 2.13 -1.26 -1.21 120.64 134.09 1dqq n GLU 154 Ca -0.19 0.67 -0.25 0.00 0.66 0.00 0.00 57.16 58.05 1dqq n GLU 154 Cb 0.52 -2.23 -0.16 0.00 0.27 0.00 0.00 31.44 29.83 1dqq n GLU 154 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1dqq s ARG 155 N -1.87 1.69 -0.05 5.31 6.06 0.50 -4.86 118.95 125.73 1dqq s ARG 155 Ca 0.57 -0.47 -0.02 0.00 -2.50 0.00 0.00 55.73 53.32 1dqq s ARG 155 Cb -0.58 -1.42 -0.02 0.00 0.06 0.00 0.00 34.95 32.99 1dqq s ARG 155 CO 0.61 0.10 -0.06 1.04 -2.50 0.00 0.00 175.30 174.48 1dqq n GLN 156 N 3.58 0.11 -2.14 5.12 6.02 -1.26 -4.20 117.38 124.60 1dqq n GLN 156 Ca -0.21 0.04 -0.38 0.00 -0.01 0.00 0.00 57.00 56.45 1dqq n GLN 156 Cb 0.52 -0.79 0.00 0.00 1.02 0.00 0.00 30.24 31.00 1dqq n GLN 156 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1dqq s ASN 157 N -5.23 6.04 0.00 1.08 4.22 -1.26 -2.72 114.94 117.07 1dqq s ASN 157 Ca -0.07 2.44 0.00 0.00 -2.14 0.00 0.00 52.86 53.09 1dqq s ASN 157 Cb 0.03 -2.61 0.00 0.00 1.28 0.00 0.00 41.25 39.94 1dqq s ASN 157 CO 0.10 -1.01 0.00 0.61 -2.04 0.00 0.00 177.10 174.75 1dqq n GLY 158 N 0.54 0.96 3.71 0.45 0.00 -1.26 -4.94 105.19 104.65 1dqq n GLY 158 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1dqq n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dqq s VAL 159 N -2.64 5.37 -0.04 1.61 1.01 -1.10 -1.22 120.40 123.38 1dqq s VAL 159 Ca 0.00 0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.30 1dqq s VAL 159 Cb 0.00 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.86 1dqq s VAL 159 CO 0.00 0.40 -0.16 -0.76 0.00 0.00 0.00 175.10 174.58 1dqq s LEU 160 N 0.59 1.89 0.18 3.92 1.02 -0.37 -4.97 118.68 120.93 1dqq s LEU 160 Ca 0.10 -0.32 0.09 0.00 0.02 0.00 0.00 54.13 54.02 1dqq s LEU 160 Cb -0.12 -0.90 -0.04 0.00 0.02 0.00 0.00 46.19 45.15 1dqq s LEU 160 CO 0.01 0.13 -0.14 0.20 0.02 0.00 0.00 176.35 176.58 1dqq s ASN 161 N 0.08 4.03 -0.12 2.29 0.02 -1.26 -0.36 114.94 119.63 1dqq s ASN 161 Ca -0.04 -0.64 -0.08 0.00 -1.02 0.00 0.00 52.86 51.08 1dqq s ASN 161 Cb -0.11 -0.60 0.04 0.00 0.02 0.00 0.00 41.25 40.60 1dqq s ASN 161 CO 0.02 0.11 0.29 -0.55 0.02 0.00 0.00 177.10 176.99 1dqq s SER 162 N -2.74 -0.32 -0.00 -1.22 0.15 -0.33 -4.98 113.70 104.26 1dqq s SER 162 Ca 0.23 0.60 0.06 0.00 0.70 0.00 0.00 55.95 57.55 1dqq s SER 162 Cb -0.09 0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 64.74 1dqq s SER 162 CO 0.14 -0.14 -0.19 0.26 1.20 0.00 0.00 173.24 174.51 1dqq s TRP 163 N 0.74 2.54 0.50 3.44 0.51 -1.26 -0.78 118.94 124.63 1dqq s TRP 163 Ca -0.05 -0.27 -0.05 0.00 -2.12 0.00 0.00 56.10 53.61 1dqq s TRP 163 Cb -0.06 -1.52 -0.03 0.00 -0.81 0.00 0.00 33.47 31.05 1dqq s TRP 163 CO -0.05 0.16 0.80 0.95 -0.51 0.00 0.00 176.95 178.29 1dqq s THR 164 N -0.78 4.69 0.86 2.01 -4.23 -0.61 -5.02 115.64 112.56 1dqq s THR 164 Ca 0.12 0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 60.65 1dqq s THR 164 Cb -0.10 -3.79 0.11 0.00 1.34 0.00 0.00 72.50 70.05 1dqq s THR 164 CO 0.02 -0.77 1.12 -1.81 -0.54 0.00 0.00 174.62 172.64 1dqq s ASP 165 N -4.14 3.93 0.20 3.99 1.01 -1.26 -4.51 116.67 115.89 1dqq s ASP 165 Ca 0.48 1.09 -0.32 0.00 0.71 0.00 0.00 52.55 54.51 1dqq s ASP 165 Cb -0.10 -1.72 -0.12 0.00 1.01 0.00 0.00 42.92 41.99 1dqq s ASP 165 CO 0.45 -2.30 1.73 -1.58 0.21 0.00 0.00 175.17 173.68 1dqq s GLN 166 N -5.24 4.13 0.28 8.23 0.74 -1.26 -4.74 119.66 121.79 1dqq s GLN 166 Ca 0.63 2.61 -0.30 0.00 0.05 0.00 0.00 55.36 58.35 1dqq s GLN 166 Cb -0.14 -3.12 -0.11 0.00 1.10 0.00 0.00 33.01 30.74 1dqq s GLN 166 CO 0.53 -0.76 1.50 0.34 -0.55 0.00 0.00 175.29 176.35 1dqq s ASP 167 N 1.33 6.53 0.58 6.67 -1.08 -0.01 -4.90 116.67 125.79 1dqq s ASP 167 Ca 0.75 2.80 0.37 0.00 -0.52 0.00 0.00 52.55 55.96 1dqq s ASP 167 Cb -0.49 -2.63 1.71 0.00 -1.46 0.00 0.00 42.92 40.05 1dqq s ASP 167 CO 0.32 -0.79 2.11 0.77 0.52 0.00 0.00 175.17 178.10 1dqq h SER 168 N 4.75 0.00 0.00 -0.34 4.64 -1.91 -1.64 113.55 119.05 1dqq h SER 168 Ca -0.47 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.74 1dqq h SER 168 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1dqq h SER 168 CO 0.77 0.00 -1.19 0.29 -0.87 0.00 0.00 176.83 175.83 1dqq n LYS 169 N -3.07 0.52 -0.20 4.77 4.76 -1.26 -4.69 118.16 118.99 1dqq n LYS 169 Ca -0.01 0.34 0.10 0.00 -2.87 0.00 0.00 58.31 55.88 1dqq n LYS 169 Cb 0.23 -1.54 0.21 0.00 -1.84 0.00 0.00 35.03 32.08 1dqq n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1dqq n ASP 170 N -4.46 3.34 -1.66 4.39 5.68 -1.26 -4.98 116.55 117.60 1dqq n ASP 170 Ca -0.22 -1.95 -0.17 0.00 -0.50 0.00 0.00 54.79 51.95 1dqq n ASP 170 Cb 0.54 -0.26 -0.06 0.00 -1.14 0.00 0.00 41.12 40.20 1dqq n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1dqq n SER 171 N 1.31 -4.60 -4.98 -1.12 7.64 -0.62 -4.97 113.62 106.28 1dqq n SER 171 Ca 0.18 0.36 -0.19 0.00 1.01 0.00 0.00 58.87 60.23 1dqq n SER 171 Cb 0.56 -4.10 0.04 0.00 -1.01 0.00 0.00 64.21 59.70 1dqq n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1dqq s THR 172 N -2.52 2.60 0.18 0.44 -4.23 -1.26 -4.67 115.64 106.17 1dqq s THR 172 Ca 0.00 -0.91 0.11 0.00 -1.18 0.00 0.00 61.69 59.71 1dqq s THR 172 Cb 0.00 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.11 1dqq s THR 172 CO 0.00 0.00 -0.23 -0.31 -0.54 0.00 0.00 174.62 173.54 1dqq s TYR 173 N -2.59 2.17 0.09 3.99 2.02 0.54 -0.83 117.35 122.74 1dqq s TYR 173 Ca 0.59 -0.39 0.04 0.00 -0.37 0.00 0.00 57.07 56.94 1dqq s TYR 173 Cb -0.08 -1.08 -0.03 0.00 -0.40 0.00 0.00 41.96 40.36 1dqq s TYR 173 CO 0.37 0.45 -0.10 -1.12 -1.57 0.00 0.00 175.55 173.57 1dqq s SER 174 N -2.64 1.43 -0.03 2.29 0.01 -1.26 -0.66 113.70 112.84 1dqq s SER 174 Ca 0.19 -0.77 -0.07 0.00 1.31 0.00 0.00 55.95 56.61 1dqq s SER 174 Cb -0.07 0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.17 1dqq s SER 174 CO 0.09 -0.24 0.17 -0.32 0.41 0.00 0.00 173.24 173.35 1dqq s MET 175 N -2.58 0.37 -0.06 12.44 1.75 0.16 -1.58 119.30 129.81 1dqq s MET 175 Ca 0.03 -0.08 0.05 0.00 -1.25 0.00 0.00 55.69 54.44 1dqq s MET 175 Cb -0.04 0.16 -0.02 0.00 2.84 0.00 0.00 34.83 37.78 1dqq s MET 175 CO 0.00 -0.08 -0.21 -1.54 -0.65 0.00 0.00 175.02 172.55 1dqq s SER 176 N -0.70 3.45 -0.13 1.11 1.04 0.04 -0.17 113.70 118.33 1dqq s SER 176 Ca -0.08 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 55.95 1dqq s SER 176 Cb -0.05 -0.93 0.02 0.00 0.10 0.00 0.00 66.02 65.17 1dqq s SER 176 CO 0.01 0.26 -0.14 -0.55 0.98 0.00 0.00 173.24 173.80 1dqq s SER 177 N -0.25 2.57 -0.16 7.02 0.15 0.81 -1.19 113.70 122.66 1dqq s SER 177 Ca -0.00 -0.45 0.01 0.00 0.70 0.00 0.00 55.95 56.20 1dqq s SER 177 Cb -0.13 -1.12 0.02 0.00 -1.71 0.00 0.00 66.02 63.08 1dqq s SER 177 CO 0.03 -0.04 -0.17 -0.89 1.20 0.00 0.00 173.24 173.37 1dqq s THR 178 N 1.37 1.80 -0.40 6.45 2.01 0.51 -0.74 115.64 126.63 1dqq s THR 178 Ca 0.02 -0.78 -0.16 0.00 0.31 0.00 0.00 61.69 61.08 1dqq s THR 178 Cb -0.13 -1.65 0.01 0.00 0.01 0.00 0.00 72.50 70.74 1dqq s THR 178 CO -0.08 0.50 0.36 -0.22 -0.69 0.00 0.00 174.62 174.48 1dqq s LEU 179 N 1.34 4.87 -0.23 4.42 2.96 0.14 -1.24 118.68 130.93 1dqq s LEU 179 Ca 0.04 -0.68 -0.08 0.00 -0.22 0.00 0.00 54.13 53.18 1dqq s LEU 179 Cb -0.13 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 1dqq s LEU 179 CO -0.11 -0.47 0.10 -0.89 -1.32 0.00 0.00 176.35 173.67 1dqq s THR 180 N 1.91 4.77 0.39 3.68 2.01 -0.36 -0.23 115.64 127.82 1dqq s THR 180 Ca 0.09 -0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.10 1dqq s THR 180 Cb -0.18 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.08 1dqq s THR 180 CO 0.12 0.36 0.06 -0.76 -0.69 0.00 0.00 174.62 173.71 1dqq s LEU 181 N 1.17 2.24 0.34 4.42 1.43 0.67 -4.79 118.68 124.17 1dqq s LEU 181 Ca 0.05 -1.51 0.01 0.00 -1.03 0.00 0.00 54.13 51.65 1dqq s LEU 181 Cb -0.14 -0.43 -0.03 0.00 0.03 0.00 0.00 46.19 45.62 1dqq s LEU 181 CO 0.04 -0.72 0.54 0.42 0.23 0.00 0.00 176.35 176.86 1dqq s THR 182 N -3.12 5.05 0.32 5.49 -4.23 -1.26 -0.73 115.64 117.16 1dqq s THR 182 Ca 0.27 -0.50 0.01 0.00 -1.18 0.00 0.00 61.69 60.29 1dqq s THR 182 Cb 0.06 -3.84 0.27 0.00 1.34 0.00 0.00 72.50 70.33 1dqq s THR 182 CO 0.13 -0.53 1.97 0.50 -0.54 0.00 0.00 174.62 176.15 1dqq h LYS 183 N 0.76 0.95 -0.06 3.99 3.64 -1.41 -1.47 116.57 122.96 1dqq h LYS 183 Ca -0.50 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 58.86 1dqq h LYS 183 Cb 1.22 -0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 32.77 1dqq h LYS 183 CO 0.61 0.63 -0.39 0.22 -2.27 0.00 0.00 179.45 178.24 1dqq h ASP 184 N 0.98 -1.21 0.26 4.20 1.82 -1.94 -0.16 116.42 120.37 1dqq h ASP 184 Ca 0.30 0.16 -0.16 0.00 -0.39 0.00 0.00 57.03 56.94 1dqq h ASP 184 Cb -0.00 0.49 -0.01 0.00 0.68 0.00 0.00 39.33 40.48 1dqq h ASP 184 CO -0.08 -0.43 -0.62 -0.33 -1.61 0.00 0.00 179.24 176.17 1dqq h GLU 185 N -0.51 0.35 -0.84 0.28 5.08 -1.91 -3.13 114.58 113.90 1dqq h GLU 185 Ca 0.06 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1dqq h GLU 185 Cb 0.62 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 1dqq h GLU 185 CO -0.34 0.86 0.46 -0.92 -1.00 0.00 0.00 179.01 178.07 1dqq h TYR 186 N 0.26 1.15 0.00 4.33 3.20 -0.91 -2.37 116.97 122.62 1dqq h TYR 186 Ca -0.01 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1dqq h TYR 186 Cb 1.15 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.05 1dqq h TYR 186 CO 0.03 0.79 0.00 0.39 -1.64 0.00 0.00 178.16 177.73 1dqq n GLU 187 N -4.34 0.13 -0.35 1.82 4.71 -0.10 -3.01 120.64 119.50 1dqq n GLU 187 Ca 0.09 0.27 0.08 0.00 -0.01 0.00 0.00 57.16 57.59 1dqq n GLU 187 Cb 0.10 -1.71 0.24 0.00 -1.01 0.00 0.00 31.44 29.06 1dqq n GLU 187 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1dqq n ARG 188 N -1.94 2.55 -4.18 3.49 1.74 -0.89 -4.90 116.66 112.53 1dqq n ARG 188 Ca 0.04 -1.96 -0.11 0.00 -0.77 0.00 0.00 57.85 55.05 1dqq n ARG 188 Cb 0.27 -1.54 -0.10 0.00 -1.02 0.00 0.00 32.46 30.07 1dqq n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1dqq s HIS 189 N -1.50 0.98 0.00 -1.55 3.76 -1.16 -5.11 115.29 110.71 1dqq s HIS 189 Ca 0.36 -1.21 0.00 0.00 -0.15 0.00 0.00 55.06 54.06 1dqq s HIS 189 Cb 0.21 -0.54 0.00 0.00 1.11 0.00 0.00 32.58 33.35 1dqq s HIS 189 CO 0.21 -0.47 0.00 -1.71 -0.85 0.00 0.00 174.74 171.92 1dqq n ASN 190 N -0.15 0.01 -4.74 1.40 5.15 -1.26 -4.82 115.26 110.85 1dqq n ASN 190 Ca -0.05 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.56 1dqq n ASN 190 Cb 0.64 -0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.83 1dqq n ASN 190 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1dqq s SER 191 N -5.01 6.71 -0.08 1.20 0.15 -1.26 -0.16 113.70 115.25 1dqq s SER 191 Ca 0.00 0.84 0.03 0.00 0.70 0.00 0.00 55.95 57.52 1dqq s SER 191 Cb 0.00 -2.28 0.01 0.00 -1.71 0.00 0.00 66.02 62.04 1dqq s SER 191 CO 0.00 0.07 -0.17 -0.31 1.20 0.00 0.00 173.24 174.03 1dqq s TYR 192 N 0.27 1.86 -0.02 3.44 1.51 -0.39 -0.90 117.35 123.12 1dqq s TYR 192 Ca 0.25 -0.71 0.03 0.00 -1.01 0.00 0.00 57.07 55.63 1dqq s TYR 192 Cb -0.15 -1.30 -0.00 0.00 -0.11 0.00 0.00 41.96 40.39 1dqq s TYR 192 CO 0.11 -0.32 -0.11 0.99 -1.11 0.00 0.00 175.55 175.11 1dqq s THR 193 N 0.52 0.88 -0.20 -0.71 2.01 0.42 -1.78 115.64 116.78 1dqq s THR 193 Ca -0.16 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 61.39 1dqq s THR 193 Cb -0.16 -0.75 0.01 0.00 0.01 0.00 0.00 72.50 71.60 1dqq s THR 193 CO 0.05 0.26 -0.13 0.00 -0.69 0.00 0.00 174.62 174.11 1dqq s GLU 195 N 1.36 2.39 -0.09 0.00 2.12 0.88 -1.48 118.70 123.88 1dqq s GLU 195 Ca 0.05 -0.66 -0.00 0.00 0.36 0.00 0.00 54.97 54.71 1dqq s GLU 195 Cb -0.14 -2.25 -0.03 0.00 0.26 0.00 0.00 34.13 31.97 1dqq s GLU 195 CO -0.09 -0.26 -0.06 0.00 -0.54 0.00 0.00 175.26 174.31 1dqq s ALA 196 N 1.43 2.99 -0.13 6.30 0.00 -0.09 -0.10 121.76 132.16 1dqq s ALA 196 Ca 0.04 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1dqq s ALA 196 Cb -0.13 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.69 1dqq s ALA 196 CO -0.11 0.49 -0.17 0.99 0.00 0.00 0.00 175.76 176.96 1dqq s THR 197 N -0.52 1.66 0.05 0.00 2.01 0.32 -0.01 115.64 119.15 1dqq s THR 197 Ca 0.08 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.40 1dqq s THR 197 Cb -0.12 -1.51 -0.02 0.00 0.01 0.00 0.00 72.50 70.86 1dqq s THR 197 CO 0.02 0.47 -0.12 -2.28 -0.69 0.00 0.00 174.62 172.02 1dqq s HIS 198 N 1.08 1.02 0.65 4.92 2.46 -1.26 -1.55 115.29 122.62 1dqq s HIS 198 Ca -0.03 -0.43 0.28 0.00 0.47 0.00 0.00 55.06 55.34 1dqq s HIS 198 Cb -0.14 -0.59 1.50 0.00 -0.13 0.00 0.00 32.58 33.21 1dqq s HIS 198 CO -0.04 0.01 1.86 1.57 -2.47 0.00 0.00 174.74 175.66 1dqq h LYS 199 N 4.56 0.00 0.00 2.88 2.10 -1.95 -1.22 116.57 122.95 1dqq h LYS 199 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1dqq h LYS 199 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1dqq h LYS 199 CO 0.41 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.11 1dqq n THR 200 N -2.99 0.93 -3.64 0.07 -2.24 -1.26 -4.71 114.28 100.44 1dqq n THR 200 Ca -0.00 0.23 -0.08 0.00 -2.27 0.00 0.00 64.05 61.94 1dqq n THR 200 Cb 0.47 -1.09 -0.07 0.00 -2.10 0.00 0.00 70.33 67.54 1dqq n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1dqq s SER 201 N -2.65 -0.34 0.05 3.42 0.15 -0.46 -4.99 113.70 108.88 1dqq s SER 201 Ca 0.07 0.62 0.26 0.00 0.70 0.00 0.00 55.95 57.61 1dqq s SER 201 Cb 0.06 0.62 1.06 0.00 -1.71 0.00 0.00 66.02 66.05 1dqq s SER 201 CO 0.14 -0.13 1.83 0.35 1.20 0.00 0.00 173.24 176.62 1dqq n THR 202 N 1.89 0.28 -3.29 6.45 -2.24 -1.26 -4.31 114.28 111.80 1dqq n THR 202 Ca -0.11 -0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.26 1dqq n THR 202 Cb 0.56 -0.61 -0.08 0.00 -2.10 0.00 0.00 70.33 68.10 1dqq n THR 202 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1dqq s SER 203 N -3.35 6.40 0.61 3.42 1.04 -1.26 -5.06 113.70 115.51 1dqq s SER 203 Ca 0.12 0.47 -0.18 0.00 0.48 0.00 0.00 55.95 56.85 1dqq s SER 203 Cb 0.16 -2.26 -0.02 0.00 0.10 0.00 0.00 66.02 64.00 1dqq s SER 203 CO 0.50 -0.23 1.17 -2.84 0.98 0.00 0.00 173.24 172.82 1dqq s PRO 204 N 2.09 2.92 -0.26 4.02 0.02 -1.26 -4.85 135.00 137.67 1dqq s PRO 204 Ca 0.20 1.69 -0.14 0.00 0.02 0.00 0.00 61.00 62.77 1dqq s PRO 204 Cb -0.16 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 1dqq s PRO 204 CO 0.09 -1.22 0.34 0.42 -0.33 0.00 0.00 177.00 176.31 1dqq s ILE 205 N -1.81 5.20 -0.15 2.83 1.01 0.99 -4.91 121.20 124.36 1dqq s ILE 205 Ca 0.74 0.52 -0.02 0.00 0.00 0.00 0.00 60.65 61.89 1dqq s ILE 205 Cb -0.27 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 1dqq s ILE 205 CO 0.35 0.19 -0.09 -0.69 0.00 0.00 0.00 174.94 174.69 1dqq s VAL 206 N 1.92 3.39 -0.06 2.92 1.01 -1.26 -0.91 120.40 127.40 1dqq s VAL 206 Ca 0.14 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1dqq s VAL 206 Cb -0.16 -2.46 0.02 0.00 0.00 0.00 0.00 36.38 33.78 1dqq s VAL 206 CO 0.10 0.51 -0.09 -0.54 0.00 0.00 0.00 175.10 175.07 1dqq s LYS 207 N 0.43 1.40 0.29 2.72 -0.14 -0.55 -5.02 119.74 118.88 1dqq s LYS 207 Ca -0.07 -0.30 -0.09 0.00 -1.36 0.00 0.00 55.97 54.15 1dqq s LYS 207 Cb -0.15 -1.23 0.00 0.00 -1.68 0.00 0.00 37.83 34.77 1dqq s LYS 207 CO 0.04 -0.03 0.48 -1.54 -0.76 0.00 0.00 175.35 173.55 1dqq s SER 208 N 0.81 0.29 0.08 2.83 1.04 -1.26 -0.54 113.70 116.95 1dqq s SER 208 Ca -0.12 -1.17 -0.23 0.00 0.48 0.00 0.00 55.95 54.90 1dqq s SER 208 Cb -0.15 0.62 0.06 0.00 0.10 0.00 0.00 66.02 66.65 1dqq s SER 208 CO 0.02 -1.23 0.57 0.72 0.98 0.00 0.00 173.24 174.30 1dqq s PHE 209 N -3.54 -0.49 -0.13 5.02 -0.12 -0.74 -5.01 117.98 112.98 1dqq s PHE 209 Ca 0.26 0.47 -0.02 0.00 -0.05 0.00 0.00 56.93 57.59 1dqq s PHE 209 Cb -0.00 0.44 -0.02 0.00 -0.63 0.00 0.00 43.02 42.80 1dqq s PHE 209 CO 0.13 -0.73 -0.07 -0.80 -0.05 0.00 0.00 175.22 173.70 1dqq s ASN 210 N -2.24 4.52 0.35 1.98 -0.87 -1.26 -1.26 114.94 116.15 1dqq s ASN 210 Ca -0.03 -0.17 0.09 0.00 -1.57 0.00 0.00 52.86 51.18 1dqq s ASN 210 Cb -0.00 -1.60 0.81 0.00 -0.02 0.00 0.00 41.25 40.44 1dqq s ASN 210 CO -0.05 0.21 1.84 0.03 -2.57 0.00 0.00 177.10 176.56 1dqq h ARG 211 N 6.40 0.68 -5.01 -0.60 3.08 -0.87 -3.35 114.38 114.71 1dqq h ARG 211 Ca -0.33 -0.04 -0.67 0.00 0.07 0.00 0.00 59.98 59.01 1dqq h ARG 211 Cb 1.19 -0.15 -0.18 0.00 0.08 0.00 0.00 29.97 30.91 1dqq h ARG 211 CO 0.58 0.45 0.32 0.54 -1.07 0.00 0.00 179.97 180.79 1dqq s ASN 212 N -5.67 6.19 0.00 7.04 4.22 -1.26 -4.42 114.94 121.04 1dqq s ASN 212 Ca -0.10 -1.27 0.00 0.00 -2.14 0.00 0.00 52.86 49.35 1dqq s ASN 212 Cb 0.23 -2.35 0.00 0.00 1.28 0.00 0.00 41.25 40.40 1dqq s ASN 212 CO 0.79 -1.25 0.00 1.21 -2.04 0.00 0.00 177.10 175.81 1dqq n GLU 213 N 6.91 0.00 0.00 3.55 4.07 -1.26 -5.16 120.64 128.75 1dqq n GLU 213 Ca -0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.04 1dqq n GLU 213 Cb 0.44 -0.14 0.00 0.00 -0.06 0.00 0.00 31.44 31.68 1dqq n GLU 213 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07